NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8385 | 1m5z | 5499 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 16 1HT SER 16 -8.627 -15.869 -11.096 2 2H SER 16 2HT SER 16 -8.384 -14.602 -12.227 3 3H SER 16 3HT SER 16 -9.651 -15.735 -12.464 4 HA SER 16 HA SER 16 -9.493 -13.417 -10.768 5 1HB SER 16 2HB SER 16 -12.076 -14.627 -11.480 6 2HB SER 16 1HB SER 16 -11.486 -12.989 -11.753 7 HG SER 16 HG SER 16 -10.511 -13.642 -13.609 8 HA PRO 17 HA PRO 17 -12.130 -16.496 -8.026 9 1HB PRO 17 2HB PRO 17 -10.983 -19.087 -8.870 10 2HB PRO 17 1HB PRO 17 -12.664 -18.654 -8.544 11 1HG PRO 17 2HG PRO 17 -11.801 -19.059 -11.042 12 2HG PRO 17 1HG PRO 17 -12.997 -17.801 -10.671 13 1HD PRO 17 2HD PRO 17 -10.058 -17.533 -11.191 14 2HD PRO 17 1HD PRO 17 -11.399 -16.504 -11.741 15 H THR 18 H THR 18 -8.798 -16.637 -8.844 16 HA THR 18 HA THR 18 -8.039 -16.608 -6.114 17 HB THR 18 HB THR 18 -6.622 -18.808 -7.449 18 HG1 THR 18 1HG THR 18 -8.336 -20.275 -7.016 19 1HG2 THR 18 1HG2 THR 18 -6.015 -18.769 -5.271 20 2HG2 THR 18 2HG2 THR 18 -7.402 -19.852 -5.147 21 3HG2 THR 18 3HG2 THR 18 -7.575 -18.148 -4.731 22 HA PRO 19 HA PRO 19 -4.060 -16.399 -9.089 23 1HB PRO 19 2HB PRO 19 -5.676 -15.714 -11.510 24 2HB PRO 19 1HB PRO 19 -4.123 -16.550 -11.395 25 1HG PRO 19 2HG PRO 19 -6.352 -17.924 -11.831 26 2HG PRO 19 1HG PRO 19 -5.101 -18.556 -10.746 27 1HD PRO 19 2HD PRO 19 -7.738 -17.341 -10.094 28 2HD PRO 19 1HD PRO 19 -6.850 -18.624 -9.255 29 H VAL 20 H VAL 20 -3.845 -14.588 -7.763 30 HA VAL 20 HA VAL 20 -5.234 -12.229 -7.791 31 HB VAL 20 HB VAL 20 -3.227 -11.139 -6.894 32 1HG1 VAL 20 1HG1 VAL 20 -4.604 -12.483 -5.408 33 2HG1 VAL 20 2HG1 VAL 20 -2.905 -12.600 -4.954 34 3HG1 VAL 20 3HG1 VAL 20 -3.677 -13.922 -5.826 35 1HG2 VAL 20 1HG2 VAL 20 -1.650 -12.334 -8.460 36 2HG2 VAL 20 2HG2 VAL 20 -1.767 -13.725 -7.382 37 3HG2 VAL 20 3HG2 VAL 20 -1.111 -12.201 -6.786 38 H GLU 21 H GLU 21 -4.315 -10.053 -8.477 39 HA GLU 21 HA GLU 21 -3.057 -10.146 -11.120 40 1HB GLU 21 2HB GLU 21 -5.768 -9.111 -10.457 41 2HB GLU 21 1HB GLU 21 -4.800 -8.168 -11.583 42 1HG GLU 21 2HG GLU 21 -4.492 -10.283 -12.913 43 2HG GLU 21 1HG GLU 21 -5.711 -11.016 -11.870 44 H LEU 22 H LEU 22 -1.388 -8.795 -11.174 45 HA LEU 22 HA LEU 22 -0.685 -7.128 -9.057 46 1HB LEU 22 2HB LEU 22 0.265 -7.530 -11.840 47 2HB LEU 22 1HB LEU 22 0.813 -6.095 -10.992 48 HG LEU 22 HG LEU 22 1.138 -8.911 -9.977 49 1HD1 LEU 22 1HD1 LEU 22 2.527 -8.706 -11.887 50 2HD1 LEU 22 2HD1 LEU 22 3.568 -8.466 -10.484 51 3HD1 LEU 22 3HD1 LEU 22 3.032 -7.079 -11.433 52 1HD2 LEU 22 1HD2 LEU 22 1.619 -6.238 -8.852 53 2HD2 LEU 22 2HD2 LEU 22 2.952 -7.375 -8.672 54 3HD2 LEU 22 3HD2 LEU 22 1.356 -7.780 -8.041 55 H HIS 23 H HIS 23 -0.924 -5.015 -8.613 56 HA HIS 23 HA HIS 23 -2.041 -3.206 -10.581 57 1HB HIS 23 2HB HIS 23 -4.147 -3.329 -9.834 58 2HB HIS 23 1HB HIS 23 -3.672 -4.469 -8.584 59 HD1 HIS 23 1HD HIS 23 -3.260 -0.691 -8.963 60 HD2 HIS 23 2HD HIS 23 -4.530 -3.537 -6.214 61 HE1 HIS 23 1HE HIS 23 -3.935 0.605 -6.918 62 HE2 HIS 23 2HE HIS 23 -4.815 -1.129 -5.316 63 H LYS 24 H LYS 24 -0.940 -1.378 -10.460 64 HA LYS 24 HA LYS 24 0.907 -0.856 -8.368 65 1HB LYS 24 2HB LYS 24 1.019 -0.114 -10.830 66 2HB LYS 24 1HB LYS 24 -0.056 1.194 -10.353 67 1HG LYS 24 2HG LYS 24 1.774 2.349 -9.858 68 2HG LYS 24 1HG LYS 24 1.950 1.285 -8.459 69 1HD LYS 24 2HD LYS 24 3.375 -0.203 -9.723 70 2HD LYS 24 1HD LYS 24 3.119 0.746 -11.189 71 1HE LYS 24 2HE LYS 24 5.085 1.677 -10.560 72 2HE LYS 24 1HE LYS 24 4.021 2.680 -9.575 73 1HZ LYS 24 1HZ LYS 24 5.473 2.003 -7.992 74 2HZ LYS 24 2HZ LYS 24 5.837 0.542 -8.762 75 3HZ LYS 24 3HZ LYS 24 4.394 0.703 -7.893 76 H VAL 25 H VAL 25 0.756 0.419 -6.594 77 HA VAL 25 HA VAL 25 -1.645 2.071 -6.274 78 HB VAL 25 HB VAL 25 -0.894 0.841 -3.756 79 1HG1 VAL 25 1HG1 VAL 25 -3.547 0.231 -4.641 80 2HG1 VAL 25 2HG1 VAL 25 -3.160 1.908 -5.020 81 3HG1 VAL 25 3HG1 VAL 25 -3.019 1.323 -3.362 82 1HG2 VAL 25 1HG2 VAL 25 -0.344 -1.159 -4.815 83 2HG2 VAL 25 2HG2 VAL 25 -1.583 -0.957 -6.053 84 3HG2 VAL 25 3HG2 VAL 25 -2.046 -1.374 -4.404 85 H THR 26 H THR 26 -1.409 3.884 -5.058 86 HA THR 26 HA THR 26 1.196 4.391 -3.810 87 HB THR 26 HB THR 26 -0.256 6.266 -5.693 88 HG1 THR 26 1HG THR 26 1.142 5.655 -7.131 89 1HG2 THR 26 1HG2 THR 26 0.729 7.901 -4.548 90 2HG2 THR 26 2HG2 THR 26 2.218 7.336 -5.307 91 3HG2 THR 26 3HG2 THR 26 1.791 6.788 -3.685 92 H LEU 27 H LEU 27 1.089 5.637 -1.937 93 HA LEU 27 HA LEU 27 -1.531 6.733 -1.206 94 1HB LEU 27 2HB LEU 27 -0.031 5.320 0.927 95 2HB LEU 27 1HB LEU 27 -1.758 5.547 0.732 96 HG LEU 27 HG LEU 27 -0.251 3.703 -1.095 97 1HD1 LEU 27 1HD1 LEU 27 0.128 3.224 1.408 98 2HD1 LEU 27 2HD1 LEU 27 -0.413 1.910 0.363 99 3HD1 LEU 27 3HD1 LEU 27 -1.567 2.735 1.411 100 1HD2 LEU 27 1HD2 LEU 27 -2.346 2.753 -1.518 101 2HD2 LEU 27 2HD2 LEU 27 -2.652 4.489 -1.475 102 3HD2 LEU 27 3HD2 LEU 27 -3.068 3.487 -0.086 103 H TYR 28 H TYR 28 -1.233 7.768 1.134 104 HA TYR 28 HA TYR 28 1.312 9.204 1.272 105 1HB TYR 28 2HB TYR 28 -1.323 10.658 1.490 106 2HB TYR 28 1HB TYR 28 0.290 11.353 1.375 107 HD1 TYR 28 1HD TYR 28 1.266 11.817 -0.727 108 HD2 TYR 28 2HD TYR 28 -2.299 9.504 -0.521 109 HE1 TYR 28 1HE TYR 28 1.018 11.992 -3.167 110 HE2 TYR 28 2HE TYR 28 -2.557 9.671 -2.961 111 HH TYR 28 HH TYR 28 -0.931 10.060 -4.961 112 H LYS 29 H LYS 29 2.071 9.211 3.291 113 HA LYS 29 HA LYS 29 0.279 8.417 5.454 114 1HB LYS 29 2HB LYS 29 3.007 7.905 4.821 115 2HB LYS 29 1HB LYS 29 2.962 8.746 6.363 116 1HG LYS 29 2HG LYS 29 1.162 7.025 7.008 117 2HG LYS 29 1HG LYS 29 1.765 6.107 5.627 118 1HD LYS 29 2HD LYS 29 2.953 5.302 7.503 119 2HD LYS 29 1HD LYS 29 4.073 6.359 6.641 120 1HE LYS 29 2HE LYS 29 3.093 8.179 8.264 121 2HE LYS 29 1HE LYS 29 2.685 6.775 9.248 122 1HZ LYS 29 1HZ LYS 29 4.773 7.310 10.002 123 2HZ LYS 29 2HZ LYS 29 5.335 7.796 8.482 124 3HZ LYS 29 3HZ LYS 29 5.148 6.151 8.826 125 H ASP 30 H ASP 30 0.607 9.450 7.600 126 HA ASP 30 HA ASP 30 0.995 12.356 7.295 127 1HB ASP 30 2HB ASP 30 -1.328 11.095 8.008 128 2HB ASP 30 1HB ASP 30 -0.624 11.460 9.580 129 H SER 31 H SER 31 2.208 13.439 8.792 130 HA SER 31 HA SER 31 4.226 12.046 10.139 131 1HB SER 31 2HB SER 31 4.904 14.168 11.037 132 2HB SER 31 1HB SER 31 4.313 14.453 9.399 133 HG SER 31 HG SER 31 3.535 15.928 11.083 134 H GLY 32 H GLY 32 3.167 10.452 11.406 135 1HA GLY 32 2HA GLY 32 3.106 10.463 13.989 136 2HA GLY 32 1HA GLY 32 1.690 11.470 13.739 137 H MET 33 H MET 33 1.599 9.406 11.214 138 HA MET 33 HA MET 33 -0.441 7.797 12.455 139 1HB MET 33 2HB MET 33 0.218 8.621 9.810 140 2HB MET 33 1HB MET 33 0.184 6.863 9.829 141 1HG MET 33 2HG MET 33 -2.004 7.123 9.475 142 2HG MET 33 1HG MET 33 -2.075 7.436 11.208 143 1HE MET 33 1HE MET 33 -3.910 8.818 11.607 144 2HE MET 33 2HE MET 33 -4.595 8.709 9.985 145 3HE MET 33 3HE MET 33 -4.396 10.283 10.755 146 H GLU 34 H GLU 34 -0.474 5.514 12.546 147 HA GLU 34 HA GLU 34 2.173 4.353 12.950 148 1HB GLU 34 2HB GLU 34 0.107 4.249 14.586 149 2HB GLU 34 1HB GLU 34 -0.351 2.885 13.576 150 1HG GLU 34 2HG GLU 34 0.834 1.845 15.234 151 2HG GLU 34 1HG GLU 34 2.090 2.096 14.021 152 H ASP 35 H ASP 35 -0.192 4.442 10.576 153 HA ASP 35 HA ASP 35 1.123 2.347 9.084 154 1HB ASP 35 2HB ASP 35 -1.269 1.769 10.509 155 2HB ASP 35 1HB ASP 35 -1.676 1.818 8.797 156 H PHE 36 H PHE 36 -0.113 2.112 6.864 157 HA PHE 36 HA PHE 36 -0.437 4.840 5.889 158 1HB PHE 36 2HB PHE 36 0.614 2.379 4.789 159 2HB PHE 36 1HB PHE 36 -0.564 3.106 3.700 160 HD1 PHE 36 1HD PHE 36 -0.251 5.539 3.051 161 HD2 PHE 36 2HD PHE 36 2.776 3.225 4.943 162 HE1 PHE 36 1HE PHE 36 1.450 7.145 2.286 163 HE2 PHE 36 2HE PHE 36 4.484 4.827 4.182 164 HZ PHE 36 HZ PHE 36 3.821 6.791 2.853 165 H GLY 37 H GLY 37 -2.485 2.623 7.106 166 1HA GLY 37 2HA GLY 37 -4.847 3.286 7.015 167 2HA GLY 37 1HA GLY 37 -4.643 3.481 5.282 168 H PHE 38 H PHE 38 -3.084 0.747 6.686 169 HA PHE 38 HA PHE 38 -5.232 -1.066 6.655 170 1HB PHE 38 2HB PHE 38 -4.913 -2.242 4.598 171 2HB PHE 38 1HB PHE 38 -5.187 -0.547 4.229 172 HD1 PHE 38 1HD PHE 38 -2.698 -3.242 4.322 173 HD2 PHE 38 2HD PHE 38 -3.499 0.771 3.157 174 HE1 PHE 38 1HE PHE 38 -0.670 -3.245 2.934 175 HE2 PHE 38 2HE PHE 38 -1.470 0.774 1.769 176 HZ PHE 38 HZ PHE 38 -0.056 -1.243 1.643 177 H SER 39 H SER 39 -4.675 -2.918 7.625 178 HA SER 39 HA SER 39 -1.862 -3.280 8.312 179 1HB SER 39 2HB SER 39 -4.371 -4.604 9.372 180 2HB SER 39 1HB SER 39 -2.741 -4.952 9.944 181 HG SER 39 HG SER 39 -3.335 -3.409 11.306 182 H VAL 40 H VAL 40 -0.790 -5.293 8.035 183 HA VAL 40 HA VAL 40 -1.940 -6.937 5.877 184 HB VAL 40 HB VAL 40 0.363 -7.476 5.212 185 1HG1 VAL 40 1HG1 VAL 40 0.490 -5.677 3.868 186 2HG1 VAL 40 2HG1 VAL 40 0.464 -4.539 5.215 187 3HG1 VAL 40 3HG1 VAL 40 -1.043 -5.241 4.626 188 1HG2 VAL 40 1HG2 VAL 40 1.489 -7.208 7.338 189 2HG2 VAL 40 2HG2 VAL 40 1.127 -5.482 7.343 190 3HG2 VAL 40 3HG2 VAL 40 2.228 -6.149 6.138 191 H ALA 41 H ALA 41 -1.017 -9.178 5.782 192 HA ALA 41 HA ALA 41 -0.526 -10.301 8.453 193 1HB ALA 41 1HB ALA 41 -2.279 -11.731 8.387 194 2HB ALA 41 2HB ALA 41 -2.202 -11.916 6.634 195 3HB ALA 41 3HB ALA 41 -2.964 -10.490 7.339 196 H ASP 42 H ASP 42 0.880 -12.010 8.516 197 HA ASP 42 HA ASP 42 2.616 -12.363 6.290 198 1HB ASP 42 2HB ASP 42 3.150 -12.578 8.811 199 2HB ASP 42 1HB ASP 42 2.512 -14.212 8.663 200 H GLY 43 H GLY 43 2.354 -13.659 4.600 201 1HA GLY 43 2HA GLY 43 0.194 -15.552 4.499 202 2HA GLY 43 1HA GLY 43 1.354 -15.220 3.218 203 H LEU 44 H LEU 44 0.691 -17.094 6.078 204 HA LEU 44 HA LEU 44 3.202 -18.489 5.932 205 1HB LEU 44 2HB LEU 44 2.486 -19.694 7.865 206 2HB LEU 44 1HB LEU 44 2.053 -18.008 8.082 207 HG LEU 44 HG LEU 44 -0.226 -19.091 6.956 208 1HD1 LEU 44 1HD1 LEU 44 1.202 -21.142 8.564 209 2HD1 LEU 44 2HD1 LEU 44 0.163 -21.332 7.152 210 3HD1 LEU 44 3HD1 LEU 44 -0.548 -21.004 8.733 211 1HD2 LEU 44 1HD2 LEU 44 0.653 -18.225 9.642 212 2HD2 LEU 44 2HD2 LEU 44 -0.854 -19.138 9.554 213 3HD2 LEU 44 3HD2 LEU 44 -0.673 -17.642 8.637 214 H LEU 45 H LEU 45 0.466 -18.719 4.114 215 HA LEU 45 HA LEU 45 0.272 -21.587 3.972 216 1HB LEU 45 2HB LEU 45 -0.768 -19.487 2.063 217 2HB LEU 45 1HB LEU 45 -1.219 -21.181 2.068 218 HG LEU 45 HG LEU 45 -1.966 -20.635 4.544 219 1HD1 LEU 45 1HD1 LEU 45 -3.078 -18.228 4.183 220 2HD1 LEU 45 2HD1 LEU 45 -1.587 -17.996 3.271 221 3HD1 LEU 45 3HD1 LEU 45 -1.519 -18.460 4.971 222 1HD2 LEU 45 1HD2 LEU 45 -3.324 -20.349 1.933 223 2HD2 LEU 45 2HD2 LEU 45 -4.175 -19.722 3.345 224 3HD2 LEU 45 3HD2 LEU 45 -3.683 -21.415 3.290 225 H GLU 46 H GLU 46 2.352 -19.238 2.812 226 HA GLU 46 HA GLU 46 3.846 -21.136 1.274 227 1HB GLU 46 2HB GLU 46 3.902 -19.249 -0.635 228 2HB GLU 46 1HB GLU 46 2.778 -20.599 -0.664 229 1HG GLU 46 2HG GLU 46 1.312 -18.846 0.737 230 2HG GLU 46 1HG GLU 46 2.284 -17.723 -0.212 231 H LYS 47 H LYS 47 3.833 -17.641 0.918 232 HA LYS 47 HA LYS 47 5.711 -16.961 2.853 233 1HB LYS 47 2HB LYS 47 6.741 -17.558 0.093 234 2HB LYS 47 1HB LYS 47 7.557 -16.408 1.146 235 1HG LYS 47 2HG LYS 47 7.306 -18.501 2.811 236 2HG LYS 47 1HG LYS 47 7.438 -19.334 1.260 237 1HD LYS 47 2HD LYS 47 9.660 -19.154 1.828 238 2HD LYS 47 1HD LYS 47 9.444 -17.664 0.907 239 1HE LYS 47 2HE LYS 47 9.915 -16.410 2.685 240 2HE LYS 47 1HE LYS 47 8.755 -17.281 3.686 241 1HZ LYS 47 1HZ LYS 47 10.576 -17.948 4.775 242 2HZ LYS 47 2HZ LYS 47 11.621 -17.588 3.494 243 3HZ LYS 47 3HZ LYS 47 10.768 -19.048 3.504 244 H GLY 48 H GLY 48 5.659 -14.760 3.108 245 1HA GLY 48 2HA GLY 48 5.796 -12.609 1.788 246 2HA GLY 48 1HA GLY 48 4.412 -13.230 0.907 247 H VAL 49 H VAL 49 3.356 -11.255 1.509 248 HA VAL 49 HA VAL 49 1.873 -11.538 3.979 249 HB VAL 49 HB VAL 49 3.345 -8.952 3.474 250 1HG1 VAL 49 1HG1 VAL 49 2.280 -8.097 5.258 251 2HG1 VAL 49 2HG1 VAL 49 2.319 -9.620 6.147 252 3HG1 VAL 49 3HG1 VAL 49 1.090 -9.350 4.912 253 1HG2 VAL 49 1HG2 VAL 49 5.003 -10.600 4.023 254 2HG2 VAL 49 2HG2 VAL 49 4.032 -11.189 5.372 255 3HG2 VAL 49 3HG2 VAL 49 4.736 -9.574 5.433 256 H TYR 50 H TYR 50 -0.133 -10.515 3.911 257 HA TYR 50 HA TYR 50 -0.729 -8.885 1.542 258 1HB TYR 50 2HB TYR 50 -2.928 -10.669 2.309 259 2HB TYR 50 1HB TYR 50 -2.312 -10.265 0.713 260 HD1 TYR 50 1HD TYR 50 0.145 -11.321 0.284 261 HD2 TYR 50 2HD TYR 50 -2.812 -12.878 2.912 262 HE1 TYR 50 1HE TYR 50 1.176 -13.545 0.113 263 HE2 TYR 50 2HE TYR 50 -1.792 -15.107 2.753 264 HH TYR 50 HH TYR 50 1.281 -15.624 1.265 265 H VAL 51 H VAL 51 -2.504 -7.461 1.765 266 HA VAL 51 HA VAL 51 -2.763 -6.269 4.285 267 HB VAL 51 HB VAL 51 -4.666 -6.006 1.958 268 1HG1 VAL 51 1HG1 VAL 51 -4.578 -3.582 3.175 269 2HG1 VAL 51 2HG1 VAL 51 -4.422 -4.666 4.557 270 3HG1 VAL 51 3HG1 VAL 51 -5.809 -4.807 3.477 271 1HG2 VAL 51 1HG2 VAL 51 -3.238 -3.919 1.540 272 2HG2 VAL 51 2HG2 VAL 51 -2.569 -5.481 1.066 273 3HG2 VAL 51 3HG2 VAL 51 -2.031 -4.706 2.555 274 H LYS 52 H LYS 52 -3.924 -6.811 5.996 275 HA LYS 52 HA LYS 52 -5.903 -8.914 5.791 276 1HB LYS 52 2HB LYS 52 -5.949 -8.636 8.329 277 2HB LYS 52 1HB LYS 52 -4.456 -9.229 7.615 278 1HG LYS 52 2HG LYS 52 -3.330 -7.245 8.001 279 2HG LYS 52 1HG LYS 52 -4.820 -6.313 8.145 280 1HD LYS 52 2HD LYS 52 -3.840 -6.566 10.330 281 2HD LYS 52 1HD LYS 52 -5.320 -7.525 10.250 282 1HE LYS 52 2HE LYS 52 -2.796 -8.884 9.511 283 2HE LYS 52 1HE LYS 52 -3.011 -8.476 11.213 284 1HZ LYS 52 1HZ LYS 52 -5.365 -9.555 10.714 285 2HZ LYS 52 2HZ LYS 52 -4.033 -10.478 11.198 286 3HZ LYS 52 3HZ LYS 52 -4.455 -10.398 9.563 287 H ASN 53 H ASN 53 -5.755 -5.497 6.252 288 HA ASN 53 HA ASN 53 -8.543 -5.199 5.788 289 1HB ASN 53 2HB ASN 53 -9.103 -4.146 7.993 290 2HB ASN 53 1HB ASN 53 -8.821 -5.883 8.070 291 1HD2 ASN 53 1HD2 ASN 53 -7.071 -6.668 9.173 292 2HD2 ASN 53 2HD2 ASN 53 -6.070 -5.679 10.185 293 H ILE 54 H ILE 54 -9.072 -3.162 5.173 294 HA ILE 54 HA ILE 54 -6.971 -1.107 5.399 295 HB ILE 54 HB ILE 54 -8.966 -1.322 3.150 296 1HG1 ILE 54 2HG1 ILE 54 -6.254 -2.556 3.487 297 2HG1 ILE 54 1HG1 ILE 54 -7.723 -3.269 2.837 298 1HG2 ILE 54 1HG2 ILE 54 -8.003 0.509 2.265 299 2HG2 ILE 54 2HG2 ILE 54 -6.383 0.031 2.771 300 3HG2 ILE 54 3HG2 ILE 54 -7.474 0.802 3.922 301 1HD1 ILE 54 1HD1 ILE 54 -5.596 -1.781 1.498 302 2HD1 ILE 54 2HD1 ILE 54 -7.226 -1.295 1.032 303 3HD1 ILE 54 3HD1 ILE 54 -6.725 -2.978 0.862 304 H ARG 55 H ARG 55 -7.593 0.975 5.901 305 HA ARG 55 HA ARG 55 -9.960 1.311 7.398 306 1HB ARG 55 2HB ARG 55 -7.693 3.005 6.557 307 2HB ARG 55 1HB ARG 55 -9.188 3.867 6.898 308 1HG ARG 55 2HG ARG 55 -9.245 2.662 9.109 309 2HG ARG 55 1HG ARG 55 -7.606 2.113 8.754 310 1HD ARG 55 2HD ARG 55 -7.098 4.005 9.907 311 2HD ARG 55 1HD ARG 55 -7.251 4.705 8.296 312 HE ARG 55 HE ARG 55 -9.755 4.902 9.296 313 1HH1 ARG 55 1HH1 ARG 55 -6.625 5.860 10.502 314 2HH1 ARG 55 2HH1 ARG 55 -7.242 7.206 11.400 315 1HH2 ARG 55 1HH2 ARG 55 -10.571 6.673 10.477 316 2HH2 ARG 55 2HH2 ARG 55 -9.482 7.666 11.386 317 HA PRO 56 HA PRO 56 -12.705 1.802 3.843 318 1HB PRO 56 2HB PRO 56 -14.541 2.636 6.029 319 2HB PRO 56 1HB PRO 56 -14.786 1.448 4.743 320 1HG PRO 56 2HG PRO 56 -14.319 0.664 7.245 321 2HG PRO 56 1HG PRO 56 -13.618 -0.209 5.869 322 1HD PRO 56 2HD PRO 56 -12.323 1.716 7.755 323 2HD PRO 56 1HD PRO 56 -11.667 0.235 7.025 324 H ALA 57 H ALA 57 -12.167 3.580 2.713 325 HA ALA 57 HA ALA 57 -12.483 5.715 1.935 326 1HB ALA 57 1HB ALA 57 -13.959 7.181 2.897 327 2HB ALA 57 2HB ALA 57 -13.496 6.744 4.541 328 3HB ALA 57 3HB ALA 57 -14.521 5.663 3.598 329 H GLY 58 H GLY 58 -10.100 4.735 3.067 330 1HA GLY 58 2HA GLY 58 -8.969 7.235 4.167 331 2HA GLY 58 1HA GLY 58 -8.445 5.647 4.709 332 HA PRO 59 HA PRO 59 -5.478 7.332 1.437 333 1HB PRO 59 2HB PRO 59 -3.762 5.627 3.180 334 2HB PRO 59 1HB PRO 59 -3.406 7.191 2.440 335 1HG PRO 59 2HG PRO 59 -3.978 7.011 5.037 336 2HG PRO 59 1HG PRO 59 -4.560 8.373 4.064 337 1HD PRO 59 2HD PRO 59 -6.047 6.012 5.103 338 2HD PRO 59 1HD PRO 59 -6.608 7.676 4.841 339 H GLY 60 H GLY 60 -5.682 4.120 2.957 340 1HA GLY 60 2HA GLY 60 -4.633 2.676 0.767 341 2HA GLY 60 1HA GLY 60 -5.609 2.005 2.064 342 H ASP 61 H ASP 61 -7.939 3.592 1.628 343 HA ASP 61 HA ASP 61 -9.148 2.060 -0.458 344 1HB ASP 61 2HB ASP 61 -10.251 2.878 1.709 345 2HB ASP 61 1HB ASP 61 -10.388 4.442 0.914 346 H LEU 62 H LEU 62 -7.927 5.310 -0.100 347 HA LEU 62 HA LEU 62 -9.073 6.325 -2.499 348 1HB LEU 62 2HB LEU 62 -6.841 7.286 -0.724 349 2HB LEU 62 1HB LEU 62 -7.322 8.145 -2.176 350 HG LEU 62 HG LEU 62 -9.135 7.580 0.172 351 1HD1 LEU 62 1HD1 LEU 62 -7.239 9.184 0.593 352 2HD1 LEU 62 2HD1 LEU 62 -8.859 9.840 0.817 353 3HD1 LEU 62 3HD1 LEU 62 -7.950 10.220 -0.646 354 1HD2 LEU 62 1HD2 LEU 62 -10.341 9.552 -1.140 355 2HD2 LEU 62 2HD2 LEU 62 -10.639 7.852 -1.511 356 3HD2 LEU 62 3HD2 LEU 62 -9.526 8.789 -2.506 357 H GLY 63 H GLY 63 -6.109 4.679 -1.664 358 1HA GLY 63 2HA GLY 63 -4.763 5.240 -4.132 359 2HA GLY 63 1HA GLY 63 -4.287 4.047 -2.933 360 H GLY 64 H GLY 64 -6.650 2.511 -2.887 361 1HA GLY 64 2HA GLY 64 -8.059 1.430 -4.643 362 2HA GLY 64 1HA GLY 64 -6.600 1.377 -5.618 363 H LEU 65 H LEU 65 -5.871 0.792 -2.380 364 HA LEU 65 HA LEU 65 -5.057 -1.857 -2.863 365 1HB LEU 65 2HB LEU 65 -5.488 -0.319 -0.309 366 2HB LEU 65 1HB LEU 65 -4.838 -1.947 -0.342 367 HG LEU 65 HG LEU 65 -3.376 -0.218 -2.146 368 1HD1 LEU 65 1HD1 LEU 65 -3.895 1.612 -0.746 369 2HD1 LEU 65 2HD1 LEU 65 -2.275 1.085 -0.290 370 3HD1 LEU 65 3HD1 LEU 65 -3.658 0.656 0.717 371 1HD2 LEU 65 1HD2 LEU 65 -1.498 -1.012 -0.624 372 2HD2 LEU 65 2HD2 LEU 65 -2.408 -2.254 -1.486 373 3HD2 LEU 65 3HD2 LEU 65 -2.729 -1.951 0.221 374 H LYS 66 H LYS 66 -6.301 -3.572 -3.132 375 HA LYS 66 HA LYS 66 -8.905 -3.673 -1.768 376 1HB LYS 66 2HB LYS 66 -8.964 -3.794 -4.238 377 2HB LYS 66 1HB LYS 66 -7.952 -5.230 -4.179 378 1HG LYS 66 2HG LYS 66 -9.774 -6.296 -2.787 379 2HG LYS 66 1HG LYS 66 -10.781 -4.915 -3.231 380 1HD LYS 66 2HD LYS 66 -9.728 -5.741 -5.645 381 2HD LYS 66 1HD LYS 66 -10.024 -7.256 -4.790 382 1HE LYS 66 2HE LYS 66 -12.116 -5.114 -4.890 383 2HE LYS 66 1HE LYS 66 -11.916 -6.241 -6.230 384 1HZ LYS 66 1HZ LYS 66 -12.913 -6.719 -3.532 385 2HZ LYS 66 2HZ LYS 66 -11.995 -7.954 -4.234 386 3HZ LYS 66 3HZ LYS 66 -13.399 -7.404 -5.002 387 HA PRO 67 HA PRO 67 -7.736 -6.763 1.153 388 1HB PRO 67 2HB PRO 67 -9.859 -8.544 0.382 389 2HB PRO 67 1HB PRO 67 -9.767 -7.501 1.801 390 1HG PRO 67 2HG PRO 67 -11.126 -7.051 -0.778 391 2HG PRO 67 1HG PRO 67 -11.457 -6.336 0.810 392 1HD PRO 67 2HD PRO 67 -10.348 -4.912 -1.183 393 2HD PRO 67 1HD PRO 67 -9.892 -4.653 0.515 394 H TYR 68 H TYR 68 -6.336 -8.387 1.109 395 HA TYR 68 HA TYR 68 -5.278 -10.321 0.490 396 1HB TYR 68 2HB TYR 68 -7.103 -10.270 -1.920 397 2HB TYR 68 1HB TYR 68 -5.891 -11.507 -1.626 398 HD1 TYR 68 1HD TYR 68 -6.062 -12.772 0.635 399 HD2 TYR 68 2HD TYR 68 -9.257 -10.554 -1.086 400 HE1 TYR 68 1HE TYR 68 -7.667 -14.042 1.995 401 HE2 TYR 68 2HE TYR 68 -10.873 -11.817 0.271 402 HH TYR 68 HH TYR 68 -10.196 -14.651 1.771 403 H ASP 69 H ASP 69 -5.270 -7.379 -1.016 404 HA ASP 69 HA ASP 69 -3.605 -7.689 -3.219 405 1HB ASP 69 2HB ASP 69 -2.866 -5.313 -2.696 406 2HB ASP 69 1HB ASP 69 -4.596 -5.561 -2.910 407 H ARG 70 H ARG 70 -2.121 -9.309 -2.706 408 HA ARG 70 HA ARG 70 -0.286 -9.159 -0.565 409 1HB ARG 70 2HB ARG 70 -0.677 -11.281 -1.524 410 2HB ARG 70 1HB ARG 70 -0.364 -10.696 -3.150 411 1HG ARG 70 2HG ARG 70 2.026 -10.347 -2.466 412 2HG ARG 70 1HG ARG 70 1.642 -11.178 -0.958 413 1HD ARG 70 2HD ARG 70 0.802 -13.090 -2.395 414 2HD ARG 70 1HD ARG 70 1.561 -12.270 -3.758 415 HE ARG 70 HE ARG 70 3.308 -12.717 -1.508 416 1HH1 ARG 70 1HH1 ARG 70 2.057 -14.026 -4.493 417 2HH1 ARG 70 2HH1 ARG 70 3.402 -15.090 -4.735 418 1HH2 ARG 70 1HH2 ARG 70 5.077 -14.118 -1.825 419 2HH2 ARG 70 2HH2 ARG 70 5.115 -15.142 -3.221 420 H LEU 71 H LEU 71 0.938 -7.363 -0.397 421 HA LEU 71 HA LEU 71 1.890 -5.755 -2.445 422 1HB LEU 71 2HB LEU 71 3.261 -6.259 0.196 423 2HB LEU 71 1HB LEU 71 3.446 -4.845 -0.824 424 HG LEU 71 HG LEU 71 0.695 -5.448 0.095 425 1HD1 LEU 71 1HD1 LEU 71 1.247 -4.173 2.238 426 2HD1 LEU 71 2HD1 LEU 71 2.921 -4.637 1.933 427 3HD1 LEU 71 3HD1 LEU 71 1.691 -5.878 2.163 428 1HD2 LEU 71 1HD2 LEU 71 0.371 -3.242 -0.257 429 2HD2 LEU 71 2HD2 LEU 71 1.812 -3.414 -1.259 430 3HD2 LEU 71 3HD2 LEU 71 1.951 -2.796 0.386 431 H LEU 72 H LEU 72 3.017 -6.484 -4.136 432 HA LEU 72 HA LEU 72 4.933 -8.616 -3.841 433 1HB LEU 72 2HB LEU 72 4.239 -6.969 -6.272 434 2HB LEU 72 1HB LEU 72 5.218 -8.420 -6.270 435 HG LEU 72 HG LEU 72 2.263 -8.125 -6.053 436 1HD1 LEU 72 1HD1 LEU 72 2.235 -9.510 -7.826 437 2HD1 LEU 72 2HD1 LEU 72 3.550 -10.506 -7.206 438 3HD1 LEU 72 3HD1 LEU 72 3.906 -8.976 -8.006 439 1HD2 LEU 72 1HD2 LEU 72 3.063 -9.305 -3.947 440 2HD2 LEU 72 2HD2 LEU 72 3.624 -10.593 -5.012 441 3HD2 LEU 72 3HD2 LEU 72 1.913 -10.180 -4.957 442 H GLN 73 H GLN 73 5.189 -5.345 -5.265 443 HA GLN 73 HA GLN 73 7.954 -5.254 -4.245 444 1HB GLN 73 2HB GLN 73 6.905 -3.994 -6.785 445 2HB GLN 73 1HB GLN 73 8.561 -3.916 -6.199 446 1HG GLN 73 2HG GLN 73 8.805 -6.308 -6.482 447 2HG GLN 73 1HG GLN 73 7.123 -6.438 -6.993 448 1HE2 GLN 73 1HE2 GLN 73 10.013 -4.538 -7.801 449 2HE2 GLN 73 2HE2 GLN 73 9.821 -4.662 -9.520 450 H VAL 74 H VAL 74 8.215 -3.774 -2.720 451 HA VAL 74 HA VAL 74 6.361 -1.505 -2.597 452 HB VAL 74 HB VAL 74 8.313 -2.419 -0.483 453 1HG1 VAL 74 1HG1 VAL 74 6.336 -0.239 -0.691 454 2HG1 VAL 74 2HG1 VAL 74 7.825 -0.339 0.250 455 3HG1 VAL 74 3HG1 VAL 74 6.358 -1.125 0.834 456 1HG2 VAL 74 1HG2 VAL 74 6.647 -3.692 0.522 457 2HG2 VAL 74 2HG2 VAL 74 6.434 -4.044 -1.194 458 3HG2 VAL 74 3HG2 VAL 74 5.360 -2.902 -0.387 459 H ASN 75 H ASN 75 6.999 0.399 -3.315 460 HA ASN 75 HA ASN 75 8.327 2.052 -4.163 461 1HB ASN 75 2HB ASN 75 8.798 1.722 -1.423 462 2HB ASN 75 1HB ASN 75 10.392 1.941 -2.135 463 1HD2 ASN 75 1HD2 ASN 75 7.227 3.352 -1.702 464 2HD2 ASN 75 2HD2 ASN 75 7.697 4.986 -2.048 465 H HIS 76 H HIS 76 8.897 -0.343 -5.403 466 HA HIS 76 HA HIS 76 10.401 -0.979 -7.013 467 1HB HIS 76 2HB HIS 76 12.173 0.315 -7.519 468 2HB HIS 76 1HB HIS 76 11.533 1.390 -6.287 469 HD1 HIS 76 1HD HIS 76 13.174 2.061 -4.561 470 HD2 HIS 76 2HD HIS 76 14.194 -1.557 -6.332 471 HE1 HIS 76 1HE HIS 76 15.393 1.428 -3.564 472 HE2 HIS 76 2HE HIS 76 15.945 -0.811 -4.579 473 H VAL 77 H VAL 77 10.860 -1.307 -3.636 474 HA VAL 77 HA VAL 77 12.900 -3.335 -3.814 475 HB VAL 77 HB VAL 77 11.167 -2.677 -1.432 476 1HG1 VAL 77 1HG1 VAL 77 12.812 -4.779 -1.735 477 2HG1 VAL 77 2HG1 VAL 77 12.528 -3.981 -0.188 478 3HG1 VAL 77 3HG1 VAL 77 13.960 -3.579 -1.138 479 1HG2 VAL 77 1HG2 VAL 77 12.408 -0.706 -2.445 480 2HG2 VAL 77 2HG2 VAL 77 13.894 -1.537 -1.984 481 3HG2 VAL 77 3HG2 VAL 77 12.733 -1.054 -0.748 482 H ARG 78 H ARG 78 12.532 -5.385 -4.320 483 HA ARG 78 HA ARG 78 9.908 -6.431 -4.635 484 1HB ARG 78 2HB ARG 78 12.678 -7.455 -4.968 485 2HB ARG 78 1HB ARG 78 11.403 -8.648 -4.768 486 1HG ARG 78 2HG ARG 78 10.868 -6.516 -6.727 487 2HG ARG 78 1HG ARG 78 12.160 -7.646 -7.139 488 1HD ARG 78 2HD ARG 78 10.625 -9.521 -6.781 489 2HD ARG 78 1HD ARG 78 9.335 -8.388 -6.380 490 HE ARG 78 HE ARG 78 10.342 -7.729 -8.906 491 1HH1 ARG 78 1HH1 ARG 78 8.547 -10.287 -7.351 492 2HH1 ARG 78 2HH1 ARG 78 7.698 -10.736 -8.791 493 1HH2 ARG 78 1HH2 ARG 78 9.224 -8.318 -10.801 494 2HH2 ARG 78 2HH2 ARG 78 8.082 -9.618 -10.751 495 H THR 79 H THR 79 8.939 -6.218 -2.576 496 HA THR 79 HA THR 79 10.039 -7.851 -0.414 497 HB THR 79 HB THR 79 8.501 -6.721 1.044 498 HG1 THR 79 1HG THR 79 6.661 -6.140 0.263 499 1HG2 THR 79 1HG2 THR 79 9.661 -4.755 -0.915 500 2HG2 THR 79 2HG2 THR 79 10.427 -5.373 0.549 501 3HG2 THR 79 3HG2 THR 79 9.001 -4.342 0.668 502 H ARG 80 H ARG 80 8.857 -9.079 -2.782 503 HA ARG 80 HA ARG 80 6.244 -10.011 -2.200 504 1HB ARG 80 2HB ARG 80 8.255 -10.423 -4.247 505 2HB ARG 80 1HB ARG 80 7.468 -11.936 -3.819 506 1HG ARG 80 2HG ARG 80 5.276 -10.563 -4.090 507 2HG ARG 80 1HG ARG 80 6.299 -9.467 -5.022 508 1HD ARG 80 2HD ARG 80 5.140 -11.186 -6.398 509 2HD ARG 80 1HD ARG 80 6.896 -11.216 -6.546 510 HE ARG 80 HE ARG 80 5.966 -13.026 -4.551 511 1HH1 ARG 80 1HH1 ARG 80 6.358 -12.622 -7.995 512 2HH1 ARG 80 2HH1 ARG 80 6.453 -14.323 -8.310 513 1HH2 ARG 80 1HH2 ARG 80 6.087 -15.263 -4.965 514 2HH2 ARG 80 2HH2 ARG 80 6.297 -15.822 -6.590 515 H ASP 81 H ASP 81 9.471 -11.420 -1.726 516 HA ASP 81 HA ASP 81 8.311 -13.674 -0.288 517 1HB ASP 81 2HB ASP 81 11.215 -13.087 -0.895 518 2HB ASP 81 1HB ASP 81 10.558 -14.603 -0.284 519 H PHE 82 H PHE 82 8.491 -10.768 0.696 520 HA PHE 82 HA PHE 82 10.222 -10.943 2.995 521 1HB PHE 82 2HB PHE 82 8.390 -8.882 1.844 522 2HB PHE 82 1HB PHE 82 8.855 -8.745 3.534 523 HD1 PHE 82 1HD PHE 82 11.083 -10.109 0.947 524 HD2 PHE 82 2HD PHE 82 10.059 -6.706 3.285 525 HE1 PHE 82 1HE PHE 82 13.182 -9.021 0.276 526 HE2 PHE 82 2HE PHE 82 12.157 -5.611 2.619 527 HZ PHE 82 HZ PHE 82 13.723 -6.768 1.111 528 H ASP 83 H ASP 83 9.217 -10.272 5.170 529 HA ASP 83 HA ASP 83 6.792 -11.887 5.601 530 1HB ASP 83 2HB ASP 83 7.821 -11.817 8.072 531 2HB ASP 83 1HB ASP 83 8.267 -13.052 6.901 532 H CYS 84 H CYS 84 5.537 -11.190 7.586 533 HA CYS 84 HA CYS 84 4.531 -8.644 7.261 534 1HB CYS 84 2HB CYS 84 3.570 -8.932 9.572 535 2HB CYS 84 1HB CYS 84 3.246 -10.257 8.460 536 HG CYS 84 HG CYS 84 4.178 -10.847 11.025 537 H CYS 85 H CYS 85 6.995 -9.724 9.574 538 HA CYS 85 HA CYS 85 7.291 -7.307 10.928 539 1HB CYS 85 2HB CYS 85 9.493 -8.187 11.635 540 2HB CYS 85 1HB CYS 85 8.200 -9.365 11.823 541 HG CYS 85 HG CYS 85 10.627 -9.654 10.017 542 H LEU 86 H LEU 86 8.293 -8.213 7.771 543 HA LEU 86 HA LEU 86 10.231 -6.022 7.636 544 1HB LEU 86 2HB LEU 86 9.779 -8.511 6.119 545 2HB LEU 86 1HB LEU 86 10.294 -7.134 5.168 546 HG LEU 86 HG LEU 86 12.290 -6.894 6.563 547 1HD1 LEU 86 1HD1 LEU 86 11.982 -9.488 7.889 548 2HD1 LEU 86 2HD1 LEU 86 10.899 -8.227 8.478 549 3HD1 LEU 86 3HD1 LEU 86 12.643 -7.971 8.495 550 1HD2 LEU 86 1HD2 LEU 86 13.161 -9.357 6.050 551 2HD2 LEU 86 2HD2 LEU 86 12.896 -8.161 4.781 552 3HD2 LEU 86 3HD2 LEU 86 11.676 -9.394 5.100 553 H VAL 87 H VAL 87 7.134 -7.058 6.367 554 HA VAL 87 HA VAL 87 6.962 -4.954 4.427 555 HB VAL 87 HB VAL 87 4.750 -6.705 5.506 556 1HG1 VAL 87 1HG1 VAL 87 4.889 -5.205 2.895 557 2HG1 VAL 87 2HG1 VAL 87 4.064 -4.604 4.334 558 3HG1 VAL 87 3HG1 VAL 87 3.512 -6.088 3.558 559 1HG2 VAL 87 1HG2 VAL 87 6.244 -7.111 2.930 560 2HG2 VAL 87 2HG2 VAL 87 5.175 -8.231 3.773 561 3HG2 VAL 87 3HG2 VAL 87 6.765 -7.859 4.440 562 H VAL 88 H VAL 88 5.839 -5.468 7.726 563 HA VAL 88 HA VAL 88 4.044 -3.345 7.905 564 HB VAL 88 HB VAL 88 5.829 -4.475 10.067 565 1HG1 VAL 88 1HG1 VAL 88 3.490 -2.588 10.212 566 2HG1 VAL 88 2HG1 VAL 88 5.117 -2.365 10.856 567 3HG1 VAL 88 3HG1 VAL 88 4.033 -3.544 11.591 568 1HG2 VAL 88 1HG2 VAL 88 3.904 -5.790 8.718 569 2HG2 VAL 88 2HG2 VAL 88 2.942 -5.058 10.002 570 3HG2 VAL 88 3HG2 VAL 88 4.304 -6.102 10.407 571 HA PRO 89 HA PRO 89 7.764 -0.571 9.318 572 1HB PRO 89 2HB PRO 89 10.251 -1.423 8.616 573 2HB PRO 89 1HB PRO 89 9.506 -1.807 10.172 574 1HG PRO 89 2HG PRO 89 9.688 -3.482 7.697 575 2HG PRO 89 1HG PRO 89 9.947 -3.953 9.388 576 1HD PRO 89 2HD PRO 89 7.644 -4.479 8.096 577 2HD PRO 89 1HD PRO 89 7.686 -4.100 9.826 578 H LEU 90 H LEU 90 8.489 -2.483 6.388 579 HA LEU 90 HA LEU 90 9.538 -0.444 4.834 580 1HB LEU 90 2HB LEU 90 8.071 -2.972 4.197 581 2HB LEU 90 1HB LEU 90 8.464 -1.852 2.906 582 HG LEU 90 HG LEU 90 10.606 -2.826 4.764 583 1HD1 LEU 90 1HD1 LEU 90 10.720 -4.864 3.868 584 2HD1 LEU 90 2HD1 LEU 90 10.420 -4.261 2.238 585 3HD1 LEU 90 3HD1 LEU 90 9.066 -4.585 3.320 586 1HD2 LEU 90 1HD2 LEU 90 10.499 -1.704 1.978 587 2HD2 LEU 90 2HD2 LEU 90 11.933 -2.501 2.628 588 3HD2 LEU 90 3HD2 LEU 90 11.310 -1.041 3.398 589 H ILE 91 H ILE 91 6.236 -1.210 5.635 590 HA ILE 91 HA ILE 91 5.016 0.482 3.685 591 HB ILE 91 HB ILE 91 4.007 -0.852 6.194 592 1HG1 ILE 91 2HG1 ILE 91 3.121 -1.234 3.339 593 2HG1 ILE 91 1HG1 ILE 91 4.482 -2.118 4.030 594 1HG2 ILE 91 1HG2 ILE 91 1.844 -0.024 5.920 595 2HG2 ILE 91 2HG2 ILE 91 2.180 0.592 4.306 596 3HG2 ILE 91 3HG2 ILE 91 2.861 1.399 5.717 597 1HD1 ILE 91 1HD1 ILE 91 1.723 -2.152 5.218 598 2HD1 ILE 91 2HD1 ILE 91 3.082 -3.214 5.591 599 3HD1 ILE 91 3HD1 ILE 91 2.284 -3.322 4.022 600 H ALA 92 H ALA 92 5.594 0.791 7.189 601 HA ALA 92 HA ALA 92 4.735 3.514 7.229 602 1HB ALA 92 1HB ALA 92 5.915 3.246 9.611 603 2HB ALA 92 2HB ALA 92 5.667 1.545 9.217 604 3HB ALA 92 3HB ALA 92 4.291 2.647 9.268 605 H GLU 93 H GLU 93 7.521 2.134 6.111 606 HA GLU 93 HA GLU 93 9.234 4.336 7.020 607 1HB GLU 93 2HB GLU 93 9.791 1.603 5.931 608 2HB GLU 93 1HB GLU 93 11.021 2.855 5.826 609 1HG GLU 93 2HG GLU 93 10.057 2.900 8.467 610 2HG GLU 93 1HG GLU 93 10.301 1.205 8.043 611 H SER 94 H SER 94 7.304 3.575 4.413 612 HA SER 94 HA SER 94 8.912 4.367 2.242 613 1HB SER 94 2HB SER 94 6.605 3.179 2.244 614 2HB SER 94 1HB SER 94 5.943 4.813 2.291 615 HG SER 94 HG SER 94 7.605 3.662 0.309 616 H GLY 95 H GLY 95 7.595 6.172 4.782 617 1HA GLY 95 2HA GLY 95 8.164 8.434 5.169 618 2HA GLY 95 1HA GLY 95 8.403 8.642 3.441 619 H ASN 96 H ASN 96 7.105 10.399 3.141 620 HA ASN 96 HA ASN 96 4.465 10.568 4.223 621 1HB ASN 96 2HB ASN 96 4.289 12.568 2.684 622 2HB ASN 96 1HB ASN 96 5.602 12.625 3.854 623 1HD2 ASN 96 1HD2 ASN 96 7.409 13.373 3.057 624 2HD2 ASN 96 2HD2 ASN 96 7.971 13.183 1.427 625 H LYS 97 H LYS 97 5.673 8.758 1.697 626 HA LYS 97 HA LYS 97 2.989 8.392 0.618 627 1HB LYS 97 2HB LYS 97 5.319 9.445 -0.907 628 2HB LYS 97 1HB LYS 97 4.265 8.297 -1.719 629 1HG LYS 97 2HG LYS 97 2.346 9.751 -1.267 630 2HG LYS 97 1HG LYS 97 3.420 10.908 -0.480 631 1HD LYS 97 2HD LYS 97 2.959 11.599 -2.764 632 2HD LYS 97 1HD LYS 97 4.662 11.166 -2.585 633 1HE LYS 97 2HE LYS 97 4.244 8.997 -3.589 634 2HE LYS 97 1HE LYS 97 2.521 9.353 -3.696 635 1HZ LYS 97 1HZ LYS 97 3.493 9.734 -5.815 636 2HZ LYS 97 2HZ LYS 97 4.719 10.699 -5.164 637 3HZ LYS 97 3HZ LYS 97 3.119 11.249 -5.160 638 H LEU 98 H LEU 98 2.665 6.375 -0.422 639 HA LEU 98 HA LEU 98 4.874 4.456 -0.128 640 1HB LEU 98 2HB LEU 98 2.576 4.484 1.447 641 2HB LEU 98 1HB LEU 98 2.267 3.236 0.259 642 HG LEU 98 HG LEU 98 4.517 3.356 2.260 643 1HD1 LEU 98 1HD1 LEU 98 3.468 1.678 3.335 644 2HD1 LEU 98 2HD1 LEU 98 2.830 0.971 1.850 645 3HD1 LEU 98 3HD1 LEU 98 2.044 2.380 2.567 646 1HD2 LEU 98 1HD2 LEU 98 4.945 1.010 1.087 647 2HD2 LEU 98 2HD2 LEU 98 5.737 2.489 0.545 648 3HD2 LEU 98 3HD2 LEU 98 4.318 1.885 -0.310 649 H ASP 99 H ASP 99 5.368 4.250 -2.256 650 HA ASP 99 HA ASP 99 3.205 3.594 -4.129 651 1HB ASP 99 2HB ASP 99 6.115 4.073 -4.799 652 2HB ASP 99 1HB ASP 99 4.739 4.090 -5.900 653 H LEU 100 H LEU 100 2.798 1.494 -4.444 654 HA LEU 100 HA LEU 100 5.023 -0.378 -4.632 655 1HB LEU 100 2HB LEU 100 3.775 -1.954 -3.063 656 2HB LEU 100 1HB LEU 100 4.655 -0.619 -2.343 657 HG LEU 100 HG LEU 100 2.383 0.616 -2.381 658 1HD1 LEU 100 1HD1 LEU 100 0.606 -0.471 -3.135 659 2HD1 LEU 100 2HD1 LEU 100 0.864 -1.746 -1.945 660 3HD1 LEU 100 3HD1 LEU 100 1.621 -1.855 -3.533 661 1HD2 LEU 100 1HD2 LEU 100 3.404 -1.455 -0.540 662 2HD2 LEU 100 2HD2 LEU 100 1.737 -0.934 -0.292 663 3HD2 LEU 100 3HD2 LEU 100 3.044 0.249 -0.252 664 H VAL 101 H VAL 101 4.362 -2.531 -5.332 665 HA VAL 101 HA VAL 101 1.947 -2.448 -7.019 666 HB VAL 101 HB VAL 101 4.383 -4.159 -7.505 667 1HG1 VAL 101 1HG1 VAL 101 3.289 -4.987 -9.268 668 2HG1 VAL 101 2HG1 VAL 101 2.723 -3.394 -9.770 669 3HG1 VAL 101 3HG1 VAL 101 1.837 -4.299 -8.544 670 1HG2 VAL 101 1HG2 VAL 101 5.412 -2.202 -7.958 671 2HG2 VAL 101 2HG2 VAL 101 3.894 -1.326 -8.148 672 3HG2 VAL 101 3HG2 VAL 101 4.510 -2.319 -9.469 673 H ILE 102 H ILE 102 0.397 -3.594 -6.051 674 HA ILE 102 HA ILE 102 1.140 -6.031 -4.569 675 HB ILE 102 HB ILE 102 -1.054 -5.859 -3.498 676 1HG1 ILE 102 2HG1 ILE 102 -2.194 -3.506 -3.957 677 2HG1 ILE 102 1HG1 ILE 102 -1.401 -3.686 -5.518 678 1HG2 ILE 102 1HG2 ILE 102 0.984 -3.765 -3.329 679 2HG2 ILE 102 2HG2 ILE 102 0.227 -4.718 -2.053 680 3HG2 ILE 102 3HG2 ILE 102 -0.588 -3.288 -2.687 681 1HD1 ILE 102 1HD1 ILE 102 -3.855 -4.723 -4.751 682 2HD1 ILE 102 2HD1 ILE 102 -2.763 -6.108 -4.769 683 3HD1 ILE 102 3HD1 ILE 102 -2.943 -5.109 -6.211 684 H SER 103 H SER 103 -0.591 -7.775 -4.624 685 HA SER 103 HA SER 103 -1.820 -8.007 -7.284 686 1HB SER 103 2HB SER 103 -1.051 -10.285 -7.528 687 2HB SER 103 1HB SER 103 0.350 -9.264 -7.214 688 HG SER 103 HG SER 103 -0.038 -9.903 -4.920 689 H ARG 104 H ARG 104 -3.925 -8.422 -7.108 690 HA ARG 104 HA ARG 104 -4.860 -10.099 -4.891 691 1HB ARG 104 2HB ARG 104 -6.646 -8.623 -4.332 692 2HB ARG 104 1HB ARG 104 -5.176 -7.662 -4.349 693 1HG ARG 104 2HG ARG 104 -7.058 -7.799 -6.688 694 2HG ARG 104 1HG ARG 104 -7.210 -6.609 -5.393 695 1HD ARG 104 2HD ARG 104 -5.676 -5.330 -6.357 696 2HD ARG 104 1HD ARG 104 -4.504 -6.645 -6.285 697 HE ARG 104 HE ARG 104 -4.766 -6.878 -8.528 698 1HH1 ARG 104 1HH1 ARG 104 -7.685 -5.454 -7.252 699 2HH1 ARG 104 2HH1 ARG 104 -8.430 -5.282 -8.806 700 1HH2 ARG 104 1HH2 ARG 104 -5.743 -6.653 -10.573 701 2HH2 ARG 104 2HH2 ARG 104 -7.327 -5.963 -10.693 702 H ASN 105 H ASN 105 -6.726 -11.295 -5.298 703 HA ASN 105 HA ASN 105 -7.164 -11.958 -8.041 704 1HB ASN 105 2HB ASN 105 -8.843 -13.559 -7.122 705 2HB ASN 105 1HB ASN 105 -7.247 -13.718 -6.393 706 1HD2 ASN 105 1HD2 ASN 105 -6.919 -12.991 -4.278 707 2HD2 ASN 105 2HD2 ASN 105 -8.244 -12.755 -3.189 708 HA PRO 106 HA PRO 106 -10.384 -8.896 -8.617 709 1HB PRO 106 2HB PRO 106 -11.055 -9.581 -11.151 710 2HB PRO 106 1HB PRO 106 -9.596 -8.661 -10.766 711 1HG PRO 106 2HG PRO 106 -9.901 -11.585 -11.331 712 2HG PRO 106 1HG PRO 106 -8.657 -10.458 -11.903 713 1HD PRO 106 2HD PRO 106 -8.244 -12.170 -9.840 714 2HD PRO 106 1HD PRO 106 -7.463 -10.579 -9.937 Start of MODEL 2 1 1H SER 16 1HT SER 16 -13.934 -12.080 -11.918 2 2H SER 16 2HT SER 16 -12.244 -12.372 -11.918 3 3H SER 16 3HT SER 16 -12.903 -11.143 -10.921 4 HA SER 16 HA SER 16 -12.978 -12.571 -9.313 5 1HB SER 16 2HB SER 16 -15.294 -12.867 -10.805 6 2HB SER 16 1HB SER 16 -14.769 -14.529 -10.543 7 HG SER 16 HG SER 16 -14.938 -12.628 -8.455 8 HA PRO 17 HA PRO 17 -11.746 -16.938 -11.046 9 1HB PRO 17 2HB PRO 17 -11.303 -17.025 -13.759 10 2HB PRO 17 1HB PRO 17 -12.803 -17.534 -12.980 11 1HG PRO 17 2HG PRO 17 -12.154 -14.950 -14.334 12 2HG PRO 17 1HG PRO 17 -13.645 -15.907 -14.401 13 1HD PRO 17 2HD PRO 17 -13.447 -13.707 -12.877 14 2HD PRO 17 1HD PRO 17 -14.393 -15.117 -12.358 15 H THR 18 H THR 18 -9.674 -17.728 -12.278 16 HA THR 18 HA THR 18 -7.423 -17.611 -12.483 17 HB THR 18 HB THR 18 -7.971 -14.761 -13.224 18 HG1 THR 18 1HG THR 18 -9.170 -15.847 -14.635 19 1HG2 THR 18 1HG2 THR 18 -5.595 -15.210 -12.960 20 2HG2 THR 18 2HG2 THR 18 -6.017 -14.913 -14.646 21 3HG2 THR 18 3HG2 THR 18 -5.731 -16.560 -14.086 22 HA PRO 19 HA PRO 19 -5.767 -16.354 -8.590 23 1HB PRO 19 2HB PRO 19 -3.341 -15.663 -10.188 24 2HB PRO 19 1HB PRO 19 -3.481 -16.643 -8.723 25 1HG PRO 19 2HG PRO 19 -3.149 -17.816 -11.077 26 2HG PRO 19 1HG PRO 19 -4.274 -18.498 -9.887 27 1HD PRO 19 2HD PRO 19 -4.841 -16.943 -12.362 28 2HD PRO 19 1HD PRO 19 -5.742 -18.296 -11.649 29 H VAL 20 H VAL 20 -4.394 -14.472 -7.659 30 HA VAL 20 HA VAL 20 -5.728 -12.108 -7.807 31 HB VAL 20 HB VAL 20 -3.700 -11.010 -6.896 32 1HG1 VAL 20 1HG1 VAL 20 -5.263 -12.280 -5.462 33 2HG1 VAL 20 2HG1 VAL 20 -3.610 -12.276 -4.846 34 3HG1 VAL 20 3HG1 VAL 20 -4.244 -13.707 -5.662 35 1HG2 VAL 20 1HG2 VAL 20 -2.103 -12.345 -8.297 36 2HG2 VAL 20 2HG2 VAL 20 -2.370 -13.695 -7.196 37 3HG2 VAL 20 3HG2 VAL 20 -1.657 -12.199 -6.597 38 H GLU 21 H GLU 21 -4.789 -9.945 -8.495 39 HA GLU 21 HA GLU 21 -3.494 -10.117 -11.127 40 1HB GLU 21 2HB GLU 21 -6.177 -9.158 -10.515 41 2HB GLU 21 1HB GLU 21 -5.208 -7.938 -11.329 42 1HG GLU 21 2HG GLU 21 -4.701 -9.591 -13.103 43 2HG GLU 21 1HG GLU 21 -5.799 -10.720 -12.309 44 H LEU 22 H LEU 22 -1.733 -8.885 -11.201 45 HA LEU 22 HA LEU 22 -0.899 -7.262 -9.098 46 1HB LEU 22 2HB LEU 22 -0.008 -7.733 -11.888 47 2HB LEU 22 1HB LEU 22 0.639 -6.333 -11.052 48 HG LEU 22 HG LEU 22 0.788 -9.148 -10.001 49 1HD1 LEU 22 1HD1 LEU 22 2.272 -9.373 -11.694 50 2HD1 LEU 22 2HD1 LEU 22 3.332 -8.523 -10.569 51 3HD1 LEU 22 3HD1 LEU 22 2.517 -7.633 -11.857 52 1HD2 LEU 22 1HD2 LEU 22 1.524 -8.239 -8.110 53 2HD2 LEU 22 2HD2 LEU 22 1.154 -6.645 -8.760 54 3HD2 LEU 22 3HD2 LEU 22 2.759 -7.336 -8.985 55 H HIS 23 H HIS 23 -0.684 -5.036 -8.866 56 HA HIS 23 HA HIS 23 -1.778 -3.198 -10.760 57 1HB HIS 23 2HB HIS 23 -3.920 -3.414 -10.063 58 2HB HIS 23 1HB HIS 23 -3.453 -4.224 -8.573 59 HD1 HIS 23 1HD HIS 23 -3.012 -0.644 -9.821 60 HD2 HIS 23 2HD HIS 23 -4.370 -2.760 -6.513 61 HE1 HIS 23 1HE HIS 23 -3.704 1.100 -8.147 62 HE2 HIS 23 2HE HIS 23 -4.605 -0.204 -6.189 63 H LYS 24 H LYS 24 -0.557 -1.438 -10.602 64 HA LYS 24 HA LYS 24 1.247 -1.058 -8.430 65 1HB LYS 24 2HB LYS 24 1.178 -0.240 -11.043 66 2HB LYS 24 1HB LYS 24 0.784 1.249 -10.196 67 1HG LYS 24 2HG LYS 24 2.840 0.743 -8.751 68 2HG LYS 24 1HG LYS 24 3.270 -0.410 -10.017 69 1HD LYS 24 2HD LYS 24 2.687 1.781 -11.499 70 2HD LYS 24 1HD LYS 24 3.320 2.534 -10.033 71 1HE LYS 24 2HE LYS 24 4.763 0.304 -11.436 72 2HE LYS 24 1HE LYS 24 4.985 1.993 -11.890 73 1HZ LYS 24 1HZ LYS 24 6.147 2.434 -10.029 74 2HZ LYS 24 2HZ LYS 24 6.459 0.772 -10.056 75 3HZ LYS 24 3HZ LYS 24 5.238 1.387 -9.060 76 H VAL 25 H VAL 25 0.793 -0.169 -6.531 77 HA VAL 25 HA VAL 25 -1.412 1.784 -6.394 78 HB VAL 25 HB VAL 25 -0.648 0.508 -3.862 79 1HG1 VAL 25 1HG1 VAL 25 -2.671 1.238 -3.336 80 2HG1 VAL 25 2HG1 VAL 25 -3.401 0.240 -4.592 81 3HG1 VAL 25 3HG1 VAL 25 -2.839 1.868 -4.973 82 1HG2 VAL 25 1HG2 VAL 25 -2.178 -1.505 -4.571 83 2HG2 VAL 25 2HG2 VAL 25 -0.442 -1.541 -4.876 84 3HG2 VAL 25 3HG2 VAL 25 -1.558 -1.131 -6.179 85 H THR 26 H THR 26 -1.194 3.570 -5.071 86 HA THR 26 HA THR 26 1.453 4.087 -3.917 87 HB THR 26 HB THR 26 -0.100 5.985 -5.693 88 HG1 THR 26 1HG THR 26 1.035 4.567 -6.944 89 1HG2 THR 26 1HG2 THR 26 0.894 7.529 -4.374 90 2HG2 THR 26 2HG2 THR 26 2.246 7.196 -5.459 91 3HG2 THR 26 3HG2 THR 26 2.181 6.434 -3.868 92 H LEU 27 H LEU 27 0.973 4.205 -1.793 93 HA LEU 27 HA LEU 27 -1.500 5.548 -0.977 94 1HB LEU 27 2HB LEU 27 0.379 3.938 0.736 95 2HB LEU 27 1HB LEU 27 -1.247 4.453 1.142 96 HG LEU 27 HG LEU 27 -0.713 2.605 -1.167 97 1HD1 LEU 27 1HD1 LEU 27 -0.061 1.977 1.432 98 2HD1 LEU 27 2HD1 LEU 27 -0.429 0.828 0.146 99 3HD1 LEU 27 3HD1 LEU 27 -1.697 1.340 1.259 100 1HD2 LEU 27 1HD2 LEU 27 -3.132 1.979 -0.097 101 2HD2 LEU 27 2HD2 LEU 27 -2.886 3.094 -1.439 102 3HD2 LEU 27 3HD2 LEU 27 -3.056 3.714 0.204 103 H TYR 28 H TYR 28 -1.298 6.649 1.242 104 HA TYR 28 HA TYR 28 1.146 8.270 1.386 105 1HB TYR 28 2HB TYR 28 -1.690 9.320 1.522 106 2HB TYR 28 1HB TYR 28 -0.242 10.272 1.840 107 HD1 TYR 28 1HD TYR 28 0.552 11.582 0.119 108 HD2 TYR 28 2HD TYR 28 -1.622 8.052 -0.837 109 HE1 TYR 28 1HE TYR 28 0.714 12.137 -2.272 110 HE2 TYR 28 2HE TYR 28 -1.464 8.596 -3.230 111 HH TYR 28 HH TYR 28 -0.397 11.652 -4.354 112 H LYS 29 H LYS 29 1.272 9.473 3.514 113 HA LYS 29 HA LYS 29 -0.102 8.018 5.665 114 1HB LYS 29 2HB LYS 29 2.468 7.455 5.055 115 2HB LYS 29 1HB LYS 29 2.709 8.776 6.189 116 1HG LYS 29 2HG LYS 29 0.796 6.716 7.048 117 2HG LYS 29 1HG LYS 29 2.474 6.188 6.899 118 1HD LYS 29 2HD LYS 29 1.864 8.740 8.320 119 2HD LYS 29 1HD LYS 29 1.593 7.205 9.148 120 1HE LYS 29 2HE LYS 29 4.188 7.574 7.757 121 2HE LYS 29 1HE LYS 29 3.923 8.493 9.239 122 1HZ LYS 29 1HZ LYS 29 3.741 5.543 8.947 123 2HZ LYS 29 2HZ LYS 29 3.399 6.397 10.366 124 3HZ LYS 29 3HZ LYS 29 4.969 6.398 9.737 125 H ASP 30 H ASP 30 -0.015 9.124 7.756 126 HA ASP 30 HA ASP 30 0.346 12.032 7.512 127 1HB ASP 30 2HB ASP 30 -2.098 10.547 8.086 128 2HB ASP 30 1HB ASP 30 -1.721 11.721 9.343 129 H SER 31 H SER 31 0.984 13.114 9.395 130 HA SER 31 HA SER 31 2.731 11.750 11.087 131 1HB SER 31 2HB SER 31 1.396 14.446 11.389 132 2HB SER 31 1HB SER 31 2.652 13.857 12.480 133 HG SER 31 HG SER 31 3.249 15.203 10.534 134 H GLY 32 H GLY 32 -0.692 12.243 11.321 135 1HA GLY 32 2HA GLY 32 -0.738 11.464 14.138 136 2HA GLY 32 1HA GLY 32 -2.114 11.997 13.188 137 H MET 33 H MET 33 -0.973 9.969 11.080 138 HA MET 33 HA MET 33 -2.697 7.819 11.927 139 1HB MET 33 2HB MET 33 -1.205 8.504 9.433 140 2HB MET 33 1HB MET 33 -1.714 6.839 9.676 141 1HG MET 33 2HG MET 33 -3.687 9.049 10.008 142 2HG MET 33 1HG MET 33 -3.235 8.510 8.391 143 1HE MET 33 1HE MET 33 -5.465 8.543 10.899 144 2HE MET 33 2HE MET 33 -6.158 6.955 11.234 145 3HE MET 33 3HE MET 33 -6.621 7.831 9.774 146 H GLU 34 H GLU 34 -2.116 5.708 12.370 147 HA GLU 34 HA GLU 34 0.614 5.368 13.325 148 1HB GLU 34 2HB GLU 34 -1.347 4.782 14.761 149 2HB GLU 34 1HB GLU 34 -1.737 3.498 13.626 150 1HG GLU 34 2HG GLU 34 0.409 2.432 14.086 151 2HG GLU 34 1HG GLU 34 0.809 3.723 15.219 152 H ASP 35 H ASP 35 -1.139 4.681 10.557 153 HA ASP 35 HA ASP 35 0.973 2.984 9.551 154 1HB ASP 35 2HB ASP 35 -0.492 1.165 8.848 155 2HB ASP 35 1HB ASP 35 -0.584 1.368 10.594 156 H PHE 36 H PHE 36 -0.195 2.138 7.196 157 HA PHE 36 HA PHE 36 -0.567 4.702 5.853 158 1HB PHE 36 2HB PHE 36 0.668 2.168 5.148 159 2HB PHE 36 1HB PHE 36 -0.422 2.741 3.887 160 HD1 PHE 36 1HD PHE 36 2.645 3.429 5.753 161 HD2 PHE 36 2HD PHE 36 0.038 4.769 2.669 162 HE1 PHE 36 1HE PHE 36 4.374 4.999 4.980 163 HE2 PHE 36 2HE PHE 36 1.762 6.340 1.889 164 HZ PHE 36 HZ PHE 36 3.932 6.457 3.045 165 H GLY 37 H GLY 37 -2.715 3.273 7.370 166 1HA GLY 37 2HA GLY 37 -5.013 3.302 7.101 167 2HA GLY 37 1HA GLY 37 -4.779 3.693 5.408 168 H PHE 38 H PHE 38 -3.066 0.921 6.514 169 HA PHE 38 HA PHE 38 -5.110 -0.991 6.249 170 1HB PHE 38 2HB PHE 38 -4.886 -1.826 4.082 171 2HB PHE 38 1HB PHE 38 -4.906 -0.085 3.867 172 HD1 PHE 38 1HD PHE 38 -3.775 -2.571 2.212 173 HD2 PHE 38 2HD PHE 38 -2.049 0.541 4.547 174 HE1 PHE 38 1HE PHE 38 -1.714 -2.734 0.889 175 HE2 PHE 38 2HE PHE 38 0.023 0.379 3.225 176 HZ PHE 38 HZ PHE 38 0.187 -1.264 1.386 177 H SER 39 H SER 39 -4.478 -2.714 7.310 178 HA SER 39 HA SER 39 -1.652 -3.071 7.891 179 1HB SER 39 2HB SER 39 -4.063 -4.564 8.955 180 2HB SER 39 1HB SER 39 -2.412 -4.695 9.562 181 HG SER 39 HG SER 39 -3.912 -2.287 9.511 182 H VAL 40 H VAL 40 -0.580 -5.096 7.659 183 HA VAL 40 HA VAL 40 -1.577 -6.635 5.364 184 HB VAL 40 HB VAL 40 0.724 -7.300 4.963 185 1HG1 VAL 40 1HG1 VAL 40 -0.357 -4.909 4.394 186 2HG1 VAL 40 2HG1 VAL 40 1.248 -5.406 3.856 187 3HG1 VAL 40 3HG1 VAL 40 1.072 -4.393 5.291 188 1HG2 VAL 40 1HG2 VAL 40 2.423 -7.041 6.410 189 2HG2 VAL 40 2HG2 VAL 40 1.159 -6.774 7.611 190 3HG2 VAL 40 3HG2 VAL 40 1.936 -5.398 6.829 191 H ALA 41 H ALA 41 -0.910 -8.954 5.313 192 HA ALA 41 HA ALA 41 -1.022 -10.156 8.001 193 1HB ALA 41 1HB ALA 41 -3.001 -10.280 6.052 194 2HB ALA 41 2HB ALA 41 -2.868 -11.290 7.491 195 3HB ALA 41 3HB ALA 41 -2.185 -11.842 5.960 196 H ASP 42 H ASP 42 -0.542 -12.663 7.717 197 HA ASP 42 HA ASP 42 2.026 -12.805 6.297 198 1HB ASP 42 2HB ASP 42 1.642 -13.279 8.882 199 2HB ASP 42 1HB ASP 42 1.209 -14.876 8.283 200 H GLY 43 H GLY 43 2.457 -14.368 4.814 201 1HA GLY 43 2HA GLY 43 0.163 -16.036 4.002 202 2HA GLY 43 1HA GLY 43 1.431 -15.475 2.923 203 H LEU 44 H LEU 44 0.286 -18.116 4.496 204 HA LEU 44 HA LEU 44 2.893 -19.314 5.002 205 1HB LEU 44 2HB LEU 44 0.201 -19.730 5.975 206 2HB LEU 44 1HB LEU 44 0.923 -21.240 5.452 207 HG LEU 44 HG LEU 44 2.950 -20.264 6.938 208 1HD1 LEU 44 1HD1 LEU 44 0.502 -19.388 8.445 209 2HD1 LEU 44 2HD1 LEU 44 1.492 -18.274 7.503 210 3HD1 LEU 44 3HD1 LEU 44 2.195 -19.142 8.869 211 1HD2 LEU 44 1HD2 LEU 44 0.800 -21.592 8.476 212 2HD2 LEU 44 2HD2 LEU 44 2.507 -22.006 8.319 213 3HD2 LEU 44 3HD2 LEU 44 1.377 -22.417 7.028 214 H LEU 45 H LEU 45 0.289 -19.421 2.745 215 HA LEU 45 HA LEU 45 1.208 -21.850 1.475 216 1HB LEU 45 2HB LEU 45 -1.225 -21.009 1.673 217 2HB LEU 45 1HB LEU 45 -0.820 -19.966 0.322 218 HG LEU 45 HG LEU 45 -0.006 -22.298 -0.709 219 1HD1 LEU 45 1HD1 LEU 45 -1.010 -23.232 1.608 220 2HD1 LEU 45 2HD1 LEU 45 -0.974 -24.159 0.109 221 3HD1 LEU 45 3HD1 LEU 45 -2.446 -23.314 0.587 222 1HD2 LEU 45 1HD2 LEU 45 -2.928 -21.621 -0.711 223 2HD2 LEU 45 2HD2 LEU 45 -1.943 -22.272 -2.020 224 3HD2 LEU 45 3HD2 LEU 45 -1.735 -20.597 -1.508 225 H GLU 46 H GLU 46 2.158 -18.651 1.359 226 HA GLU 46 HA GLU 46 3.661 -19.131 -1.084 227 1HB GLU 46 2HB GLU 46 2.195 -16.522 -0.898 228 2HB GLU 46 1HB GLU 46 2.898 -17.299 -2.307 229 1HG GLU 46 2HG GLU 46 0.523 -18.448 -0.882 230 2HG GLU 46 1HG GLU 46 0.365 -17.226 -2.139 231 H LYS 47 H LYS 47 4.147 -18.731 1.833 232 HA LYS 47 HA LYS 47 5.297 -17.308 3.288 233 1HB LYS 47 2HB LYS 47 6.939 -18.537 1.197 234 2HB LYS 47 1HB LYS 47 7.728 -17.199 2.019 235 1HG LYS 47 2HG LYS 47 6.450 -19.495 3.478 236 2HG LYS 47 1HG LYS 47 8.145 -19.480 2.984 237 1HD LYS 47 2HD LYS 47 8.629 -18.390 4.862 238 2HD LYS 47 1HD LYS 47 7.688 -17.022 4.265 239 1HE LYS 47 2HE LYS 47 5.721 -18.650 5.183 240 2HE LYS 47 1HE LYS 47 7.026 -19.034 6.305 241 1HZ LYS 47 1HZ LYS 47 6.538 -16.211 5.769 242 2HZ LYS 47 2HZ LYS 47 6.976 -16.979 7.210 243 3HZ LYS 47 3HZ LYS 47 5.369 -17.022 6.685 244 H GLY 48 H GLY 48 3.844 -15.432 2.441 245 1HA GLY 48 2HA GLY 48 5.669 -13.234 1.829 246 2HA GLY 48 1HA GLY 48 4.334 -13.488 0.715 247 H VAL 49 H VAL 49 3.813 -11.247 1.374 248 HA VAL 49 HA VAL 49 2.104 -11.290 3.768 249 HB VAL 49 HB VAL 49 3.738 -8.891 2.944 250 1HG1 VAL 49 1HG1 VAL 49 2.759 -9.119 5.689 251 2HG1 VAL 49 2HG1 VAL 49 1.482 -9.026 4.477 252 3HG1 VAL 49 3HG1 VAL 49 2.700 -7.756 4.570 253 1HG2 VAL 49 1HG2 VAL 49 4.531 -11.237 4.441 254 2HG2 VAL 49 2HG2 VAL 49 4.667 -9.769 5.410 255 3HG2 VAL 49 3HG2 VAL 49 5.506 -9.886 3.864 256 H TYR 50 H TYR 50 0.093 -10.522 3.459 257 HA TYR 50 HA TYR 50 -0.444 -8.888 1.078 258 1HB TYR 50 2HB TYR 50 -2.611 -10.748 1.773 259 2HB TYR 50 1HB TYR 50 -1.972 -10.303 0.196 260 HD1 TYR 50 1HD TYR 50 -2.590 -13.012 2.114 261 HD2 TYR 50 2HD TYR 50 0.677 -11.235 0.053 262 HE1 TYR 50 1HE TYR 50 -1.510 -15.213 1.945 263 HE2 TYR 50 2HE TYR 50 1.770 -13.430 -0.122 264 HH TYR 50 HH TYR 50 0.413 -16.296 1.430 265 H VAL 51 H VAL 51 -2.123 -7.400 1.288 266 HA VAL 51 HA VAL 51 -2.501 -6.195 3.720 267 HB VAL 51 HB VAL 51 -4.469 -6.190 1.430 268 1HG1 VAL 51 1HG1 VAL 51 -5.168 -4.013 2.322 269 2HG1 VAL 51 2HG1 VAL 51 -4.085 -4.236 3.696 270 3HG1 VAL 51 3HG1 VAL 51 -5.459 -5.317 3.471 271 1HG2 VAL 51 1HG2 VAL 51 -2.043 -4.506 2.012 272 2HG2 VAL 51 2HG2 VAL 51 -3.285 -4.053 0.845 273 3HG2 VAL 51 3HG2 VAL 51 -2.343 -5.524 0.604 274 H LYS 52 H LYS 52 -3.559 -6.673 5.507 275 HA LYS 52 HA LYS 52 -5.380 -8.927 5.546 276 1HB LYS 52 2HB LYS 52 -3.705 -8.872 7.275 277 2HB LYS 52 1HB LYS 52 -4.168 -7.240 7.734 278 1HG LYS 52 2HG LYS 52 -5.251 -8.341 9.370 279 2HG LYS 52 1HG LYS 52 -6.505 -8.473 8.137 280 1HD LYS 52 2HD LYS 52 -5.057 -10.646 7.528 281 2HD LYS 52 1HD LYS 52 -4.712 -10.542 9.256 282 1HE LYS 52 2HE LYS 52 -7.006 -10.702 9.817 283 2HE LYS 52 1HE LYS 52 -7.506 -10.434 8.148 284 1HZ LYS 52 1HZ LYS 52 -5.792 -12.734 8.609 285 2HZ LYS 52 2HZ LYS 52 -7.141 -12.574 7.603 286 3HZ LYS 52 3HZ LYS 52 -7.350 -12.840 9.260 287 H ASN 53 H ASN 53 -5.447 -5.479 5.853 288 HA ASN 53 HA ASN 53 -8.209 -5.303 5.341 289 1HB ASN 53 2HB ASN 53 -8.990 -4.452 7.533 290 2HB ASN 53 1HB ASN 53 -8.505 -6.144 7.595 291 1HD2 ASN 53 1HD2 ASN 53 -7.003 -6.749 9.016 292 2HD2 ASN 53 2HD2 ASN 53 -6.091 -5.668 10.018 293 H ILE 54 H ILE 54 -9.035 -3.089 5.455 294 HA ILE 54 HA ILE 54 -6.896 -1.069 5.506 295 HB ILE 54 HB ILE 54 -9.175 -1.144 3.532 296 1HG1 ILE 54 2HG1 ILE 54 -6.575 -2.460 3.526 297 2HG1 ILE 54 1HG1 ILE 54 -7.954 -2.697 2.461 298 1HG2 ILE 54 1HG2 ILE 54 -8.165 1.088 4.257 299 2HG2 ILE 54 2HG2 ILE 54 -8.235 0.755 2.527 300 3HG2 ILE 54 3HG2 ILE 54 -6.714 0.572 3.398 301 1HD1 ILE 54 1HD1 ILE 54 -6.232 -2.045 1.046 302 2HD1 ILE 54 2HD1 ILE 54 -5.653 -0.807 2.160 303 3HD1 ILE 54 3HD1 ILE 54 -7.163 -0.567 1.283 304 H ARG 55 H ARG 55 -7.429 0.927 6.338 305 HA ARG 55 HA ARG 55 -9.558 1.042 8.186 306 1HB ARG 55 2HB ARG 55 -7.687 3.135 7.092 307 2HB ARG 55 1HB ARG 55 -8.924 3.519 8.280 308 1HG ARG 55 2HG ARG 55 -7.798 1.482 9.553 309 2HG ARG 55 1HG ARG 55 -6.412 1.980 8.581 310 1HD ARG 55 2HD ARG 55 -6.036 3.402 10.283 311 2HD ARG 55 1HD ARG 55 -7.274 4.376 9.492 312 HE ARG 55 HE ARG 55 -8.676 2.736 11.155 313 1HH1 ARG 55 1HH1 ARG 55 -6.046 4.989 11.593 314 2HH1 ARG 55 2HH1 ARG 55 -6.498 5.393 13.213 315 1HH2 ARG 55 1HH2 ARG 55 -9.271 3.269 13.289 316 2HH2 ARG 55 2HH2 ARG 55 -8.327 4.419 14.177 317 HA PRO 56 HA PRO 56 -12.903 2.435 5.662 318 1HB PRO 56 2HB PRO 56 -14.419 3.716 7.501 319 2HB PRO 56 1HB PRO 56 -14.261 1.956 7.456 320 1HG PRO 56 2HG PRO 56 -12.855 3.939 9.204 321 2HG PRO 56 1HG PRO 56 -13.567 2.374 9.637 322 1HD PRO 56 2HD PRO 56 -10.906 2.718 9.229 323 2HD PRO 56 1HD PRO 56 -11.743 1.193 8.875 324 H ALA 57 H ALA 57 -12.044 3.928 4.251 325 HA ALA 57 HA ALA 57 -12.070 5.997 3.254 326 1HB ALA 57 1HB ALA 57 -13.141 7.795 4.171 327 2HB ALA 57 2HB ALA 57 -12.540 7.467 5.797 328 3HB ALA 57 3HB ALA 57 -13.853 6.497 5.130 329 H GLY 58 H GLY 58 -9.813 4.648 4.551 330 1HA GLY 58 2HA GLY 58 -8.149 6.908 5.406 331 2HA GLY 58 1HA GLY 58 -7.744 5.207 5.578 332 HA PRO 59 HA PRO 59 -5.423 7.256 1.963 333 1HB PRO 59 2HB PRO 59 -3.071 5.946 2.710 334 2HB PRO 59 1HB PRO 59 -3.463 7.635 3.041 335 1HG PRO 59 2HG PRO 59 -3.709 5.250 4.811 336 2HG PRO 59 1HG PRO 59 -3.244 6.910 5.220 337 1HD PRO 59 2HD PRO 59 -5.681 5.959 5.796 338 2HD PRO 59 1HD PRO 59 -5.446 7.642 5.277 339 H GLY 60 H GLY 60 -5.617 4.033 3.355 340 1HA GLY 60 2HA GLY 60 -4.600 2.588 1.154 341 2HA GLY 60 1HA GLY 60 -5.668 1.947 2.394 342 H ASP 61 H ASP 61 -7.941 3.431 2.040 343 HA ASP 61 HA ASP 61 -9.072 2.201 -0.273 344 1HB ASP 61 2HB ASP 61 -10.072 3.925 1.947 345 2HB ASP 61 1HB ASP 61 -11.038 3.837 0.478 346 H LEU 62 H LEU 62 -7.899 5.376 0.568 347 HA LEU 62 HA LEU 62 -8.975 6.700 -1.714 348 1HB LEU 62 2HB LEU 62 -6.670 7.520 0.054 349 2HB LEU 62 1HB LEU 62 -7.529 8.560 -1.068 350 HG LEU 62 HG LEU 62 -8.960 7.219 1.207 351 1HD1 LEU 62 1HD1 LEU 62 -7.992 10.018 1.464 352 2HD1 LEU 62 2HD1 LEU 62 -6.875 8.701 1.820 353 3HD1 LEU 62 3HD1 LEU 62 -8.390 8.840 2.713 354 1HD2 LEU 62 1HD2 LEU 62 -10.441 8.127 -0.391 355 2HD2 LEU 62 2HD2 LEU 62 -9.479 9.596 -0.559 356 3HD2 LEU 62 3HD2 LEU 62 -10.376 9.297 0.928 357 H GLY 63 H GLY 63 -6.078 4.906 -1.003 358 1HA GLY 63 2HA GLY 63 -4.545 5.817 -3.229 359 2HA GLY 63 1HA GLY 63 -4.228 4.380 -2.268 360 H GLY 64 H GLY 64 -6.467 2.869 -2.656 361 1HA GLY 64 2HA GLY 64 -7.872 2.280 -4.668 362 2HA GLY 64 1HA GLY 64 -6.374 2.403 -5.575 363 H LEU 65 H LEU 65 -5.864 1.061 -2.501 364 HA LEU 65 HA LEU 65 -5.857 -1.630 -3.687 365 1HB LEU 65 2HB LEU 65 -4.183 -2.097 -1.796 366 2HB LEU 65 1HB LEU 65 -3.639 -1.182 -3.189 367 HG LEU 65 HG LEU 65 -4.041 0.915 -1.834 368 1HD1 LEU 65 1HD1 LEU 65 -5.423 0.376 -0.083 369 2HD1 LEU 65 2HD1 LEU 65 -3.848 0.328 0.706 370 3HD1 LEU 65 3HD1 LEU 65 -4.631 -1.171 0.208 371 1HD2 LEU 65 1HD2 LEU 65 -1.843 0.837 -1.541 372 2HD2 LEU 65 2HD2 LEU 65 -1.882 -0.896 -1.864 373 3HD2 LEU 65 3HD2 LEU 65 -2.028 -0.304 -0.209 374 H LYS 66 H LYS 66 -6.478 -3.409 -2.382 375 HA LYS 66 HA LYS 66 -7.933 -2.771 0.081 376 1HB LYS 66 2HB LYS 66 -9.129 -3.449 -2.436 377 2HB LYS 66 1HB LYS 66 -9.441 -4.743 -1.291 378 1HG LYS 66 2HG LYS 66 -10.268 -2.986 0.307 379 2HG LYS 66 1HG LYS 66 -10.167 -1.839 -1.031 380 1HD LYS 66 2HD LYS 66 -11.553 -4.224 -1.856 381 2HD LYS 66 1HD LYS 66 -12.297 -3.552 -0.403 382 1HE LYS 66 2HE LYS 66 -11.590 -1.643 -2.551 383 2HE LYS 66 1HE LYS 66 -12.925 -2.746 -2.878 384 1HZ LYS 66 1HZ LYS 66 -12.762 -1.067 -0.439 385 2HZ LYS 66 2HZ LYS 66 -14.095 -1.948 -0.995 386 3HZ LYS 66 3HZ LYS 66 -13.569 -0.585 -1.847 387 HA PRO 67 HA PRO 67 -6.672 -6.569 1.958 388 1HB PRO 67 2HB PRO 67 -9.287 -7.885 1.371 389 2HB PRO 67 1HB PRO 67 -8.398 -7.781 2.895 390 1HG PRO 67 2HG PRO 67 -10.525 -6.246 2.469 391 2HG PRO 67 1HG PRO 67 -9.100 -5.608 3.309 392 1HD PRO 67 2HD PRO 67 -10.034 -5.123 0.520 393 2HD PRO 67 1HD PRO 67 -9.202 -4.026 1.638 394 H TYR 68 H TYR 68 -5.612 -8.411 1.382 395 HA TYR 68 HA TYR 68 -5.067 -10.305 0.180 396 1HB TYR 68 2HB TYR 68 -6.872 -9.392 -2.060 397 2HB TYR 68 1HB TYR 68 -6.199 -10.997 -1.801 398 HD1 TYR 68 1HD TYR 68 -6.777 -11.645 0.919 399 HD2 TYR 68 2HD TYR 68 -9.169 -9.476 -1.850 400 HE1 TYR 68 1HE TYR 68 -8.796 -12.304 2.156 401 HE2 TYR 68 2HE TYR 68 -11.194 -10.127 -0.621 402 HH TYR 68 HH TYR 68 -11.084 -11.556 2.477 403 H ASP 69 H ASP 69 -4.951 -7.071 -0.863 404 HA ASP 69 HA ASP 69 -3.480 -7.149 -3.196 405 1HB ASP 69 2HB ASP 69 -3.632 -5.206 -0.923 406 2HB ASP 69 1HB ASP 69 -2.434 -4.959 -2.189 407 H ARG 70 H ARG 70 -2.106 -8.966 -3.024 408 HA ARG 70 HA ARG 70 -0.079 -9.214 -1.069 409 1HB ARG 70 2HB ARG 70 -0.847 -11.144 -2.264 410 2HB ARG 70 1HB ARG 70 -0.428 -10.423 -3.809 411 1HG ARG 70 2HG ARG 70 1.993 -10.419 -2.848 412 2HG ARG 70 1HG ARG 70 1.349 -11.634 -1.742 413 1HD ARG 70 2HD ARG 70 1.524 -11.738 -4.740 414 2HD ARG 70 1HD ARG 70 2.249 -12.834 -3.564 415 HE ARG 70 HE ARG 70 -0.475 -12.864 -4.542 416 1HH1 ARG 70 1HH1 ARG 70 1.748 -13.976 -2.088 417 2HH1 ARG 70 2HH1 ARG 70 0.770 -15.333 -1.642 418 1HH2 ARG 70 1HH2 ARG 70 -1.761 -14.647 -3.950 419 2HH2 ARG 70 2HH2 ARG 70 -1.222 -15.713 -2.698 420 H LEU 71 H LEU 71 1.251 -7.495 -0.848 421 HA LEU 71 HA LEU 71 2.267 -5.916 -2.951 422 1HB LEU 71 2HB LEU 71 3.569 -6.325 -0.264 423 2HB LEU 71 1HB LEU 71 3.701 -4.928 -1.314 424 HG LEU 71 HG LEU 71 0.949 -5.249 -0.733 425 1HD1 LEU 71 1HD1 LEU 71 0.831 -5.239 1.638 426 2HD1 LEU 71 2HD1 LEU 71 2.587 -5.207 1.790 427 3HD1 LEU 71 3HD1 LEU 71 1.781 -6.649 1.173 428 1HD2 LEU 71 1HD2 LEU 71 2.468 -3.213 0.750 429 2HD2 LEU 71 2HD2 LEU 71 1.092 -3.038 -0.340 430 3HD2 LEU 71 3HD2 LEU 71 2.719 -3.221 -0.996 431 H LEU 72 H LEU 72 3.481 -6.749 -4.545 432 HA LEU 72 HA LEU 72 5.314 -8.915 -4.021 433 1HB LEU 72 2HB LEU 72 5.046 -7.411 -6.606 434 2HB LEU 72 1HB LEU 72 5.658 -9.034 -6.363 435 HG LEU 72 HG LEU 72 2.821 -8.076 -6.385 436 1HD1 LEU 72 1HD1 LEU 72 4.220 -10.413 -7.673 437 2HD1 LEU 72 2HD1 LEU 72 3.855 -8.876 -8.456 438 3HD1 LEU 72 3HD1 LEU 72 2.544 -9.930 -7.927 439 1HD2 LEU 72 1HD2 LEU 72 1.994 -9.883 -5.233 440 2HD2 LEU 72 2HD2 LEU 72 3.450 -9.545 -4.301 441 3HD2 LEU 72 3HD2 LEU 72 3.445 -10.849 -5.486 442 H GLN 73 H GLN 73 5.664 -5.629 -5.377 443 HA GLN 73 HA GLN 73 8.322 -5.519 -4.144 444 1HB GLN 73 2HB GLN 73 9.223 -4.451 -6.199 445 2HB GLN 73 1HB GLN 73 8.753 -6.129 -6.433 446 1HG GLN 73 2HG GLN 73 6.571 -5.265 -7.352 447 2HG GLN 73 1HG GLN 73 7.306 -3.661 -7.344 448 1HE2 GLN 73 1HE2 GLN 73 9.744 -3.943 -8.246 449 2HE2 GLN 73 2HE2 GLN 73 9.783 -4.653 -9.827 450 H VAL 74 H VAL 74 8.376 -3.834 -2.838 451 HA VAL 74 HA VAL 74 6.582 -1.582 -3.259 452 HB VAL 74 HB VAL 74 8.555 -1.984 -1.007 453 1HG1 VAL 74 1HG1 VAL 74 6.024 -0.369 -0.962 454 2HG1 VAL 74 2HG1 VAL 74 7.556 0.316 -1.506 455 3HG1 VAL 74 3HG1 VAL 74 7.399 -0.299 0.139 456 1HG2 VAL 74 1HG2 VAL 74 7.263 -3.625 -0.248 457 2HG2 VAL 74 2HG2 VAL 74 6.125 -3.404 -1.576 458 3HG2 VAL 74 3HG2 VAL 74 5.944 -2.466 -0.095 459 H ASN 75 H ASN 75 7.264 -0.080 -4.653 460 HA ASN 75 HA ASN 75 8.515 1.640 -5.483 461 1HB ASN 75 2HB ASN 75 9.584 1.318 -2.912 462 2HB ASN 75 1HB ASN 75 10.978 1.327 -3.990 463 1HD2 ASN 75 1HD2 ASN 75 8.017 3.091 -3.222 464 2HD2 ASN 75 2HD2 ASN 75 8.637 4.660 -3.620 465 H HIS 76 H HIS 76 10.717 -0.970 -4.539 466 HA HIS 76 HA HIS 76 11.175 -1.806 -7.214 467 1HB HIS 76 2HB HIS 76 13.609 -1.216 -7.274 468 2HB HIS 76 1HB HIS 76 12.531 0.171 -7.385 469 HD1 HIS 76 1HD HIS 76 14.591 -1.641 -4.755 470 HD2 HIS 76 2HD HIS 76 13.082 2.138 -5.599 471 HE1 HIS 76 1HE HIS 76 15.539 -0.128 -2.984 472 HE2 HIS 76 2HE HIS 76 14.553 2.139 -3.472 473 H VAL 77 H VAL 77 11.559 -2.072 -3.840 474 HA VAL 77 HA VAL 77 13.388 -4.316 -3.933 475 HB VAL 77 HB VAL 77 11.783 -3.348 -1.567 476 1HG1 VAL 77 1HG1 VAL 77 14.405 -4.829 -1.633 477 2HG1 VAL 77 2HG1 VAL 77 12.837 -5.619 -1.467 478 3HG1 VAL 77 3HG1 VAL 77 13.391 -4.489 -0.230 479 1HG2 VAL 77 1HG2 VAL 77 14.179 -2.226 -2.875 480 2HG2 VAL 77 2HG2 VAL 77 14.247 -2.366 -1.119 481 3HG2 VAL 77 3HG2 VAL 77 12.954 -1.440 -1.880 482 H ARG 78 H ARG 78 12.845 -6.403 -4.046 483 HA ARG 78 HA ARG 78 10.151 -7.184 -4.510 484 1HB ARG 78 2HB ARG 78 12.658 -8.807 -4.054 485 2HB ARG 78 1HB ARG 78 11.105 -9.508 -4.488 486 1HG ARG 78 2HG ARG 78 12.069 -7.347 -6.239 487 2HG ARG 78 1HG ARG 78 13.000 -8.845 -6.270 488 1HD ARG 78 2HD ARG 78 10.253 -9.539 -6.324 489 2HD ARG 78 1HD ARG 78 10.503 -8.262 -7.513 490 HE ARG 78 HE ARG 78 11.778 -9.707 -8.771 491 1HH1 ARG 78 1HH1 ARG 78 11.157 -11.127 -5.641 492 2HH1 ARG 78 2HH1 ARG 78 11.750 -12.689 -6.095 493 1HH2 ARG 78 1HH2 ARG 78 12.556 -11.761 -9.368 494 2HH2 ARG 78 2HH2 ARG 78 12.545 -13.050 -8.210 495 H THR 79 H THR 79 8.999 -6.577 -2.643 496 HA THR 79 HA THR 79 9.680 -7.935 -0.147 497 HB THR 79 HB THR 79 8.165 -6.440 0.938 498 HG1 THR 79 1HG THR 79 7.355 -5.519 -1.615 499 1HG2 THR 79 1HG2 THR 79 9.059 -4.325 0.515 500 2HG2 THR 79 2HG2 THR 79 9.371 -4.700 -1.181 501 3HG2 THR 79 3HG2 THR 79 10.342 -5.455 0.084 502 H ARG 80 H ARG 80 8.538 -9.333 -2.517 503 HA ARG 80 HA ARG 80 5.821 -9.971 -1.875 504 1HB ARG 80 2HB ARG 80 7.287 -10.224 -4.125 505 2HB ARG 80 1HB ARG 80 7.404 -11.867 -3.508 506 1HG ARG 80 2HG ARG 80 4.688 -10.859 -3.398 507 2HG ARG 80 1HG ARG 80 5.354 -10.812 -5.032 508 1HD ARG 80 2HD ARG 80 5.698 -13.268 -3.366 509 2HD ARG 80 1HD ARG 80 4.151 -12.962 -4.155 510 HE ARG 80 HE ARG 80 5.923 -12.650 -6.166 511 1HH1 ARG 80 1HH1 ARG 80 5.424 -15.186 -3.820 512 2HH1 ARG 80 2HH1 ARG 80 5.994 -16.439 -4.871 513 1HH2 ARG 80 1HH2 ARG 80 6.672 -14.299 -7.548 514 2HH2 ARG 80 2HH2 ARG 80 6.702 -15.937 -6.986 515 H ASP 81 H ASP 81 8.940 -11.618 -1.470 516 HA ASP 81 HA ASP 81 7.663 -13.717 0.102 517 1HB ASP 81 2HB ASP 81 10.287 -13.376 -1.246 518 2HB ASP 81 1HB ASP 81 10.261 -14.381 0.200 519 H PHE 82 H PHE 82 8.103 -10.812 0.971 520 HA PHE 82 HA PHE 82 9.947 -11.031 3.175 521 1HB PHE 82 2HB PHE 82 8.224 -8.894 2.016 522 2HB PHE 82 1HB PHE 82 8.708 -8.731 3.701 523 HD1 PHE 82 1HD PHE 82 10.748 -10.246 1.016 524 HD2 PHE 82 2HD PHE 82 10.113 -6.859 3.512 525 HE1 PHE 82 1HE PHE 82 12.911 -9.319 0.300 526 HE2 PHE 82 2HE PHE 82 12.276 -5.925 2.802 527 HZ PHE 82 HZ PHE 82 13.678 -7.155 1.193 528 H ASP 83 H ASP 83 9.127 -10.243 5.379 529 HA ASP 83 HA ASP 83 6.720 -11.793 6.041 530 1HB ASP 83 2HB ASP 83 9.029 -12.289 7.106 531 2HB ASP 83 1HB ASP 83 8.746 -10.826 8.046 532 H CYS 84 H CYS 84 5.307 -10.926 7.725 533 HA CYS 84 HA CYS 84 4.359 -8.394 7.191 534 1HB CYS 84 2HB CYS 84 4.117 -9.744 9.882 535 2HB CYS 84 1HB CYS 84 3.001 -8.590 9.160 536 HG CYS 84 HG CYS 84 1.791 -10.558 8.368 537 H CYS 85 H CYS 85 6.673 -9.402 9.660 538 HA CYS 85 HA CYS 85 6.894 -6.919 10.937 539 1HB CYS 85 2HB CYS 85 7.662 -9.142 11.844 540 2HB CYS 85 1HB CYS 85 9.049 -9.022 10.767 541 HG CYS 85 HG CYS 85 8.946 -6.591 12.510 542 H LEU 86 H LEU 86 8.147 -8.087 7.962 543 HA LEU 86 HA LEU 86 10.191 -6.005 7.822 544 1HB LEU 86 2HB LEU 86 9.557 -8.464 6.265 545 2HB LEU 86 1HB LEU 86 10.394 -7.164 5.439 546 HG LEU 86 HG LEU 86 12.140 -7.246 7.246 547 1HD1 LEU 86 1HD1 LEU 86 12.057 -9.704 8.287 548 2HD1 LEU 86 2HD1 LEU 86 10.326 -9.381 8.185 549 3HD1 LEU 86 3HD1 LEU 86 11.374 -8.293 9.096 550 1HD2 LEU 86 1HD2 LEU 86 13.305 -9.077 6.274 551 2HD2 LEU 86 2HD2 LEU 86 12.324 -8.353 5.000 552 3HD2 LEU 86 3HD2 LEU 86 11.802 -9.850 5.774 553 H VAL 87 H VAL 87 7.054 -6.833 6.558 554 HA VAL 87 HA VAL 87 7.077 -4.851 4.483 555 HB VAL 87 HB VAL 87 4.739 -6.378 5.643 556 1HG1 VAL 87 1HG1 VAL 87 3.409 -5.358 4.166 557 2HG1 VAL 87 2HG1 VAL 87 4.580 -5.543 2.860 558 3HG1 VAL 87 3HG1 VAL 87 4.704 -4.178 3.970 559 1HG2 VAL 87 1HG2 VAL 87 6.822 -7.069 3.651 560 2HG2 VAL 87 2HG2 VAL 87 5.166 -7.554 3.287 561 3HG2 VAL 87 3HG2 VAL 87 5.938 -8.101 4.774 562 H VAL 88 H VAL 88 5.877 -5.066 7.800 563 HA VAL 88 HA VAL 88 4.260 -2.790 7.783 564 HB VAL 88 HB VAL 88 5.864 -3.853 10.114 565 1HG1 VAL 88 1HG1 VAL 88 3.674 -2.767 11.220 566 2HG1 VAL 88 2HG1 VAL 88 3.877 -1.688 9.839 567 3HG1 VAL 88 3HG1 VAL 88 5.187 -1.888 11.002 568 1HG2 VAL 88 1HG2 VAL 88 3.901 -5.156 8.712 569 2HG2 VAL 88 2HG2 VAL 88 2.999 -4.395 10.022 570 3HG2 VAL 88 3HG2 VAL 88 4.347 -5.473 10.389 571 HA PRO 89 HA PRO 89 8.177 -0.268 9.156 572 1HB PRO 89 2HB PRO 89 10.421 -1.912 8.203 573 2HB PRO 89 1HB PRO 89 10.189 -1.136 9.771 574 1HG PRO 89 2HG PRO 89 10.041 -3.803 9.480 575 2HG PRO 89 1HG PRO 89 9.018 -2.928 10.635 576 1HD PRO 89 2HD PRO 89 8.332 -3.964 7.909 577 2HD PRO 89 1HD PRO 89 7.386 -4.040 9.404 578 H LEU 90 H LEU 90 8.862 -2.374 6.342 579 HA LEU 90 HA LEU 90 10.026 -0.459 4.711 580 1HB LEU 90 2HB LEU 90 8.463 -2.950 4.143 581 2HB LEU 90 1HB LEU 90 8.996 -1.926 2.823 582 HG LEU 90 HG LEU 90 10.994 -2.861 4.841 583 1HD1 LEU 90 1HD1 LEU 90 9.412 -4.708 3.656 584 2HD1 LEU 90 2HD1 LEU 90 11.095 -4.981 4.111 585 3HD1 LEU 90 3HD1 LEU 90 10.689 -4.539 2.451 586 1HD2 LEU 90 1HD2 LEU 90 11.518 -2.741 1.935 587 2HD2 LEU 90 2HD2 LEU 90 12.530 -2.252 3.295 588 3HD2 LEU 90 3HD2 LEU 90 11.220 -1.205 2.750 589 H ILE 91 H ILE 91 6.685 -1.025 5.491 590 HA ILE 91 HA ILE 91 5.586 0.581 3.394 591 HB ILE 91 HB ILE 91 4.460 -0.606 5.923 592 1HG1 ILE 91 2HG1 ILE 91 3.590 -1.021 3.069 593 2HG1 ILE 91 1HG1 ILE 91 4.914 -1.937 3.788 594 1HG2 ILE 91 1HG2 ILE 91 2.406 0.388 5.704 595 2HG2 ILE 91 2HG2 ILE 91 2.638 0.754 3.998 596 3HG2 ILE 91 3HG2 ILE 91 3.451 1.722 5.224 597 1HD1 ILE 91 1HD1 ILE 91 2.833 -3.181 3.860 598 2HD1 ILE 91 2HD1 ILE 91 2.068 -1.875 4.766 599 3HD1 ILE 91 3HD1 ILE 91 3.387 -2.794 5.489 600 H ALA 92 H ALA 92 6.227 1.089 6.852 601 HA ALA 92 HA ALA 92 5.385 3.818 6.753 602 1HB ALA 92 1HB ALA 92 6.601 3.672 9.127 603 2HB ALA 92 2HB ALA 92 6.320 1.955 8.837 604 3HB ALA 92 3HB ALA 92 4.963 3.081 8.845 605 H GLU 93 H GLU 93 8.142 2.317 5.700 606 HA GLU 93 HA GLU 93 9.947 4.462 6.499 607 1HB GLU 93 2HB GLU 93 10.308 1.747 5.314 608 2HB GLU 93 1HB GLU 93 11.566 2.951 5.069 609 1HG GLU 93 2HG GLU 93 11.904 3.176 7.423 610 2HG GLU 93 1HG GLU 93 10.506 2.159 7.770 611 H SER 94 H SER 94 7.962 3.626 3.884 612 HA SER 94 HA SER 94 9.455 4.689 1.743 613 1HB SER 94 2HB SER 94 7.251 3.250 1.769 614 2HB SER 94 1HB SER 94 6.469 4.831 1.743 615 HG SER 94 HG SER 94 8.347 3.833 -0.136 616 H GLY 95 H GLY 95 7.896 6.207 4.341 617 1HA GLY 95 2HA GLY 95 8.212 8.508 4.825 618 2HA GLY 95 1HA GLY 95 8.398 8.815 3.106 619 H ASN 96 H ASN 96 6.886 10.383 2.845 620 HA ASN 96 HA ASN 96 4.272 10.227 3.988 621 1HB ASN 96 2HB ASN 96 5.323 12.020 1.789 622 2HB ASN 96 1HB ASN 96 3.801 12.239 2.651 623 1HD2 ASN 96 1HD2 ASN 96 4.455 11.781 5.217 624 2HD2 ASN 96 2HD2 ASN 96 5.618 12.944 5.768 625 H LYS 97 H LYS 97 5.708 8.995 1.119 626 HA LYS 97 HA LYS 97 3.043 8.201 0.148 627 1HB LYS 97 2HB LYS 97 5.295 9.471 -1.311 628 2HB LYS 97 1HB LYS 97 4.443 8.182 -2.149 629 1HG LYS 97 2HG LYS 97 2.412 9.756 -1.130 630 2HG LYS 97 1HG LYS 97 3.639 10.918 -1.639 631 1HD LYS 97 2HD LYS 97 2.460 8.721 -3.341 632 2HD LYS 97 1HD LYS 97 2.066 10.437 -3.449 633 1HE LYS 97 2HE LYS 97 4.929 9.877 -3.618 634 2HE LYS 97 1HE LYS 97 3.989 9.140 -4.914 635 1HZ LYS 97 1HZ LYS 97 4.887 11.600 -5.064 636 2HZ LYS 97 2HZ LYS 97 3.430 11.933 -4.273 637 3HZ LYS 97 3HZ LYS 97 3.418 11.145 -5.769 638 H LEU 98 H LEU 98 2.934 6.151 -0.906 639 HA LEU 98 HA LEU 98 5.302 4.447 -0.575 640 1HB LEU 98 2HB LEU 98 3.151 4.351 1.146 641 2HB LEU 98 1HB LEU 98 2.790 3.070 0.007 642 HG LEU 98 HG LEU 98 5.170 3.316 1.826 643 1HD1 LEU 98 1HD1 LEU 98 3.765 2.117 3.077 644 2HD1 LEU 98 2HD1 LEU 98 4.192 0.785 2.004 645 3HD1 LEU 98 3HD1 LEU 98 2.724 1.719 1.710 646 1HD2 LEU 98 1HD2 LEU 98 4.955 1.958 -0.769 647 2HD2 LEU 98 2HD2 LEU 98 5.550 0.953 0.552 648 3HD2 LEU 98 3HD2 LEU 98 6.383 2.451 0.140 649 H ASP 99 H ASP 99 5.709 4.198 -2.725 650 HA ASP 99 HA ASP 99 3.544 3.363 -4.500 651 1HB ASP 99 2HB ASP 99 6.383 4.261 -4.920 652 2HB ASP 99 1HB ASP 99 5.538 3.381 -6.191 653 H LEU 100 H LEU 100 3.098 1.263 -4.696 654 HA LEU 100 HA LEU 100 5.296 -0.664 -4.736 655 1HB LEU 100 2HB LEU 100 3.852 -2.139 -3.188 656 2HB LEU 100 1HB LEU 100 4.842 -0.878 -2.482 657 HG LEU 100 HG LEU 100 2.464 0.430 -2.881 658 1HD1 LEU 100 1HD1 LEU 100 1.939 -2.457 -2.665 659 2HD1 LEU 100 2HD1 LEU 100 0.945 -1.164 -3.334 660 3HD1 LEU 100 3HD1 LEU 100 0.998 -1.424 -1.590 661 1HD2 LEU 100 1HD2 LEU 100 3.905 -0.776 -0.621 662 2HD2 LEU 100 2HD2 LEU 100 2.201 -0.431 -0.331 663 3HD2 LEU 100 3HD2 LEU 100 3.289 0.862 -0.834 664 H VAL 101 H VAL 101 4.608 -2.834 -5.390 665 HA VAL 101 HA VAL 101 2.300 -2.721 -7.219 666 HB VAL 101 HB VAL 101 4.711 -4.522 -7.467 667 1HG1 VAL 101 1HG1 VAL 101 2.528 -5.243 -8.489 668 2HG1 VAL 101 2HG1 VAL 101 3.878 -5.089 -9.614 669 3HG1 VAL 101 3HG1 VAL 101 2.642 -3.832 -9.541 670 1HG2 VAL 101 1HG2 VAL 101 4.626 -1.770 -7.931 671 2HG2 VAL 101 2HG2 VAL 101 4.483 -2.513 -9.524 672 3HG2 VAL 101 3HG2 VAL 101 5.854 -2.907 -8.487 673 H ILE 102 H ILE 102 0.635 -3.741 -6.306 674 HA ILE 102 HA ILE 102 1.149 -6.196 -4.755 675 HB ILE 102 HB ILE 102 -1.005 -5.835 -3.695 676 1HG1 ILE 102 2HG1 ILE 102 -2.000 -3.426 -4.264 677 2HG1 ILE 102 1HG1 ILE 102 -1.245 -3.760 -5.818 678 1HG2 ILE 102 1HG2 ILE 102 -0.091 -3.101 -3.347 679 2HG2 ILE 102 2HG2 ILE 102 1.240 -4.259 -3.310 680 3HG2 ILE 102 3HG2 ILE 102 -0.117 -4.439 -2.198 681 1HD1 ILE 102 1HD1 ILE 102 -3.012 -5.811 -4.580 682 2HD1 ILE 102 2HD1 ILE 102 -2.654 -5.507 -6.280 683 3HD1 ILE 102 3HD1 ILE 102 -3.720 -4.418 -5.395 684 H SER 103 H SER 103 -0.715 -7.784 -4.846 685 HA SER 103 HA SER 103 -1.990 -7.888 -7.486 686 1HB SER 103 2HB SER 103 -1.465 -10.369 -7.545 687 2HB SER 103 1HB SER 103 -0.087 -9.302 -7.795 688 HG SER 103 HG SER 103 0.550 -10.809 -6.318 689 H ARG 104 H ARG 104 -4.086 -7.756 -6.946 690 HA ARG 104 HA ARG 104 -5.036 -9.385 -4.681 691 1HB ARG 104 2HB ARG 104 -6.756 -7.792 -4.310 692 2HB ARG 104 1HB ARG 104 -5.267 -6.883 -4.527 693 1HG ARG 104 2HG ARG 104 -6.310 -7.047 -7.081 694 2HG ARG 104 1HG ARG 104 -7.728 -6.816 -6.060 695 1HD ARG 104 2HD ARG 104 -5.676 -5.060 -5.161 696 2HD ARG 104 1HD ARG 104 -5.822 -4.893 -6.909 697 HE ARG 104 HE ARG 104 -7.734 -4.082 -4.924 698 1HH1 ARG 104 1HH1 ARG 104 -7.294 -5.018 -8.258 699 2HH1 ARG 104 2HH1 ARG 104 -8.721 -4.202 -8.804 700 1HH2 ARG 104 1HH2 ARG 104 -9.611 -3.011 -5.641 701 2HH2 ARG 104 2HH2 ARG 104 -10.037 -3.062 -7.319 702 H ASN 105 H ASN 105 -6.631 -10.834 -4.938 703 HA ASN 105 HA ASN 105 -7.563 -11.360 -7.651 704 1HB ASN 105 2HB ASN 105 -8.461 -13.479 -6.593 705 2HB ASN 105 1HB ASN 105 -6.709 -13.301 -6.552 706 1HD2 ASN 105 1HD2 ASN 105 -9.624 -12.744 -4.637 707 2HD2 ASN 105 2HD2 ASN 105 -8.882 -13.046 -3.100 708 HA PRO 106 HA PRO 106 -11.460 -9.424 -6.655 709 1HB PRO 106 2HB PRO 106 -12.587 -10.731 -9.008 710 2HB PRO 106 1HB PRO 106 -12.285 -9.017 -8.724 711 1HG PRO 106 2HG PRO 106 -10.860 -10.486 -10.501 712 2HG PRO 106 1HG PRO 106 -10.179 -9.102 -9.628 713 1HD PRO 106 2HD PRO 106 -9.853 -12.030 -9.097 714 2HD PRO 106 1HD PRO 106 -8.653 -10.723 -9.002 Start of MODEL 3 1 1H SER 16 1HT SER 16 -7.015 -12.225 -13.211 2 2H SER 16 2HT SER 16 -7.707 -13.154 -14.475 3 3H SER 16 3HT SER 16 -7.036 -13.934 -13.102 4 HA SER 16 HA SER 16 -8.761 -12.389 -11.900 5 1HB SER 16 2HB SER 16 -9.513 -12.475 -14.735 6 2HB SER 16 1HB SER 16 -10.812 -12.976 -13.653 7 HG SER 16 HG SER 16 -9.334 -10.558 -13.491 8 HA PRO 17 HA PRO 17 -10.818 -16.828 -12.742 9 1HB PRO 17 2HB PRO 17 -8.379 -17.989 -14.010 10 2HB PRO 17 1HB PRO 17 -10.084 -18.350 -14.310 11 1HG PRO 17 2HG PRO 17 -8.693 -16.865 -16.024 12 2HG PRO 17 1HG PRO 17 -10.382 -16.479 -15.647 13 1HD PRO 17 2HD PRO 17 -7.880 -15.135 -14.738 14 2HD PRO 17 1HD PRO 17 -9.472 -14.438 -15.101 15 H THR 18 H THR 18 -7.398 -16.264 -12.106 16 HA THR 18 HA THR 18 -7.587 -17.203 -9.460 17 HB THR 18 HB THR 18 -5.669 -18.904 -10.953 18 HG1 THR 18 1HG THR 18 -7.459 -19.266 -12.198 19 1HG2 THR 18 1HG2 THR 18 -7.413 -20.179 -9.030 20 2HG2 THR 18 2HG2 THR 18 -6.536 -18.811 -8.348 21 3HG2 THR 18 3HG2 THR 18 -5.652 -20.132 -9.112 22 HA PRO 19 HA PRO 19 -2.919 -16.114 -10.624 23 1HB PRO 19 2HB PRO 19 -3.528 -14.734 -13.194 24 2HB PRO 19 1HB PRO 19 -2.114 -15.691 -12.737 25 1HG PRO 19 2HG PRO 19 -3.955 -16.711 -14.356 26 2HG PRO 19 1HG PRO 19 -3.202 -17.713 -13.101 27 1HD PRO 19 2HD PRO 19 -5.907 -16.445 -13.149 28 2HD PRO 19 1HD PRO 19 -5.419 -18.033 -12.525 29 H VAL 20 H VAL 20 -2.613 -14.518 -9.229 30 HA VAL 20 HA VAL 20 -4.242 -12.451 -8.562 31 HB VAL 20 HB VAL 20 -2.265 -11.261 -7.683 32 1HG1 VAL 20 1HG1 VAL 20 -3.325 -13.575 -6.806 33 2HG1 VAL 20 2HG1 VAL 20 -2.055 -12.695 -5.957 34 3HG1 VAL 20 3HG1 VAL 20 -1.640 -14.057 -6.998 35 1HG2 VAL 20 1HG2 VAL 20 -0.608 -11.551 -9.318 36 2HG2 VAL 20 2HG2 VAL 20 -0.799 -13.304 -9.325 37 3HG2 VAL 20 3HG2 VAL 20 -0.048 -12.505 -7.944 38 H GLU 21 H GLU 21 -4.041 -10.109 -8.885 39 HA GLU 21 HA GLU 21 -3.230 -9.444 -11.639 40 1HB GLU 21 2HB GLU 21 -5.594 -8.436 -10.050 41 2HB GLU 21 1HB GLU 21 -5.062 -7.722 -11.566 42 1HG GLU 21 2HG GLU 21 -5.730 -10.633 -11.380 43 2HG GLU 21 1HG GLU 21 -6.987 -9.417 -11.606 44 H LEU 22 H LEU 22 -1.671 -7.981 -11.769 45 HA LEU 22 HA LEU 22 -0.528 -6.736 -9.534 46 1HB LEU 22 2HB LEU 22 -0.248 -6.401 -12.490 47 2HB LEU 22 1HB LEU 22 0.513 -5.241 -11.420 48 HG LEU 22 HG LEU 22 1.047 -8.205 -11.542 49 1HD1 LEU 22 1HD1 LEU 22 3.171 -6.172 -11.848 50 2HD1 LEU 22 2HD1 LEU 22 2.021 -6.322 -13.178 51 3HD1 LEU 22 3HD1 LEU 22 2.957 -7.724 -12.658 52 1HD2 LEU 22 1HD2 LEU 22 1.190 -7.630 -9.255 53 2HD2 LEU 22 2HD2 LEU 22 1.997 -6.104 -9.611 54 3HD2 LEU 22 3HD2 LEU 22 2.845 -7.631 -9.863 55 H HIS 23 H HIS 23 -0.638 -4.694 -8.707 56 HA HIS 23 HA HIS 23 -2.442 -2.757 -9.933 57 1HB HIS 23 2HB HIS 23 -2.773 -3.881 -7.155 58 2HB HIS 23 1HB HIS 23 -3.461 -2.337 -7.635 59 HD1 HIS 23 1HD HIS 23 -4.256 -3.460 -10.562 60 HD2 HIS 23 2HD HIS 23 -5.282 -5.065 -6.868 61 HE1 HIS 23 1HE HIS 23 -6.339 -4.809 -10.971 62 HE2 HIS 23 2HE HIS 23 -6.991 -5.697 -8.705 63 H LYS 24 H LYS 24 -1.110 -1.080 -10.204 64 HA LYS 24 HA LYS 24 1.073 -0.533 -8.425 65 1HB LYS 24 2HB LYS 24 0.546 0.094 -11.035 66 2HB LYS 24 1HB LYS 24 0.210 1.624 -10.236 67 1HG LYS 24 2HG LYS 24 2.401 1.831 -9.455 68 2HG LYS 24 1HG LYS 24 2.756 0.126 -9.735 69 1HD LYS 24 2HD LYS 24 2.114 2.049 -11.959 70 2HD LYS 24 1HD LYS 24 3.759 1.763 -11.387 71 1HE LYS 24 2HE LYS 24 2.161 -0.638 -12.014 72 2HE LYS 24 1HE LYS 24 2.605 0.375 -13.386 73 1HZ LYS 24 1HZ LYS 24 4.773 -0.145 -13.183 74 2HZ LYS 24 2HZ LYS 24 4.173 -1.529 -12.416 75 3HZ LYS 24 3HZ LYS 24 4.729 -0.226 -11.493 76 H VAL 25 H VAL 25 0.501 0.063 -6.407 77 HA VAL 25 HA VAL 25 -1.521 2.180 -6.127 78 HB VAL 25 HB VAL 25 -0.922 1.087 -3.581 79 1HG1 VAL 25 1HG1 VAL 25 -3.158 1.105 -3.390 80 2HG1 VAL 25 2HG1 VAL 25 -3.399 0.224 -4.899 81 3HG1 VAL 25 3HG1 VAL 25 -3.099 1.961 -4.931 82 1HG2 VAL 25 1HG2 VAL 25 -0.027 -0.883 -4.718 83 2HG2 VAL 25 2HG2 VAL 25 -1.533 -1.052 -5.622 84 3HG2 VAL 25 3HG2 VAL 25 -1.527 -1.263 -3.871 85 H THR 26 H THR 26 -1.085 4.029 -5.085 86 HA THR 26 HA THR 26 1.559 4.355 -3.848 87 HB THR 26 HB THR 26 0.235 6.296 -5.759 88 HG1 THR 26 1HG THR 26 1.884 5.772 -7.131 89 1HG2 THR 26 1HG2 THR 26 2.694 6.540 -4.076 90 2HG2 THR 26 2HG2 THR 26 1.379 7.693 -4.306 91 3HG2 THR 26 3HG2 THR 26 2.537 7.407 -5.604 92 H LEU 27 H LEU 27 1.028 4.624 -1.756 93 HA LEU 27 HA LEU 27 -1.333 6.214 -1.075 94 1HB LEU 27 2HB LEU 27 0.395 4.661 0.833 95 2HB LEU 27 1HB LEU 27 -1.250 5.219 1.074 96 HG LEU 27 HG LEU 27 -0.436 3.085 -0.900 97 1HD1 LEU 27 1HD1 LEU 27 -0.864 1.486 0.638 98 2HD1 LEU 27 2HD1 LEU 27 -2.084 2.453 1.468 99 3HD1 LEU 27 3HD1 LEU 27 -0.370 2.757 1.756 100 1HD2 LEU 27 1HD2 LEU 27 -3.221 3.385 0.027 101 2HD2 LEU 27 2HD2 LEU 27 -2.590 2.956 -1.563 102 3HD2 LEU 27 3HD2 LEU 27 -2.619 4.644 -1.052 103 H TYR 28 H TYR 28 -1.005 7.392 1.147 104 HA TYR 28 HA TYR 28 1.543 8.844 1.163 105 1HB TYR 28 2HB TYR 28 -1.072 10.303 1.479 106 2HB TYR 28 1HB TYR 28 0.526 10.974 1.167 107 HD1 TYR 28 1HD TYR 28 1.550 9.660 -1.111 108 HD2 TYR 28 2HD TYR 28 -2.497 10.676 -0.285 109 HE1 TYR 28 1HE TYR 28 1.069 9.685 -3.524 110 HE2 TYR 28 2HE TYR 28 -2.990 10.703 -2.694 111 HH TYR 28 HH TYR 28 -1.653 11.053 -4.843 112 H LYS 29 H LYS 29 2.303 9.297 3.173 113 HA LYS 29 HA LYS 29 0.729 8.285 5.415 114 1HB LYS 29 2HB LYS 29 3.380 8.004 4.768 115 2HB LYS 29 1HB LYS 29 3.432 9.273 5.984 116 1HG LYS 29 2HG LYS 29 2.024 7.748 7.435 117 2HG LYS 29 1HG LYS 29 2.378 6.476 6.263 118 1HD LYS 29 2HD LYS 29 4.244 6.080 7.415 119 2HD LYS 29 1HD LYS 29 4.851 7.622 6.805 120 1HE LYS 29 2HE LYS 29 3.941 8.765 8.753 121 2HE LYS 29 1HE LYS 29 3.279 7.244 9.354 122 1HZ LYS 29 1HZ LYS 29 5.729 6.474 9.206 123 2HZ LYS 29 2HZ LYS 29 5.237 7.421 10.516 124 3HZ LYS 29 3HZ LYS 29 6.082 8.127 9.234 125 H ASP 30 H ASP 30 0.037 9.495 7.097 126 HA ASP 30 HA ASP 30 0.378 12.405 6.840 127 1HB ASP 30 2HB ASP 30 -1.917 10.770 7.275 128 2HB ASP 30 1HB ASP 30 -1.675 11.753 8.715 129 H SER 31 H SER 31 1.375 13.535 8.388 130 HA SER 31 HA SER 31 2.874 12.276 10.392 131 1HB SER 31 2HB SER 31 2.077 15.162 10.611 132 2HB SER 31 1HB SER 31 3.625 14.405 10.983 133 HG SER 31 HG SER 31 2.698 15.420 8.622 134 H GLY 32 H GLY 32 1.393 10.939 11.530 135 1HA GLY 32 2HA GLY 32 0.654 11.536 14.004 136 2HA GLY 32 1HA GLY 32 -0.673 12.263 13.114 137 H MET 33 H MET 33 -0.214 9.938 11.097 138 HA MET 33 HA MET 33 -2.199 8.223 12.285 139 1HB MET 33 2HB MET 33 -1.327 8.851 9.656 140 2HB MET 33 1HB MET 33 -1.131 7.117 9.870 141 1HG MET 33 2HG MET 33 -3.276 6.936 9.349 142 2HG MET 33 1HG MET 33 -3.622 7.615 10.938 143 1HE MET 33 1HE MET 33 -4.705 10.703 10.899 144 2HE MET 33 2HE MET 33 -5.040 9.017 11.297 145 3HE MET 33 3HE MET 33 -6.030 9.853 10.103 146 H GLU 34 H GLU 34 -1.912 5.797 12.103 147 HA GLU 34 HA GLU 34 0.727 5.089 13.180 148 1HB GLU 34 2HB GLU 34 -1.389 4.777 14.580 149 2HB GLU 34 1HB GLU 34 -1.786 3.461 13.484 150 1HG GLU 34 2HG GLU 34 -0.737 2.293 15.122 151 2HG GLU 34 1HG GLU 34 0.650 2.671 14.099 152 H ASP 35 H ASP 35 -1.188 4.738 10.446 153 HA ASP 35 HA ASP 35 0.635 2.794 9.338 154 1HB ASP 35 2HB ASP 35 -1.967 2.000 10.314 155 2HB ASP 35 1HB ASP 35 -1.856 1.737 8.578 156 H PHE 36 H PHE 36 -0.661 2.133 7.032 157 HA PHE 36 HA PHE 36 -0.946 4.757 5.748 158 1HB PHE 36 2HB PHE 36 0.335 2.244 4.988 159 2HB PHE 36 1HB PHE 36 -0.689 2.901 3.714 160 HD1 PHE 36 1HD PHE 36 -0.229 5.138 2.792 161 HD2 PHE 36 2HD PHE 36 2.378 3.285 5.596 162 HE1 PHE 36 1HE PHE 36 1.552 6.719 2.174 163 HE2 PHE 36 2HE PHE 36 4.164 4.863 4.986 164 HZ PHE 36 HZ PHE 36 3.751 6.585 3.274 165 H GLY 37 H GLY 37 -3.058 2.983 7.129 166 1HA GLY 37 2HA GLY 37 -5.371 3.052 6.776 167 2HA GLY 37 1HA GLY 37 -5.080 3.440 5.089 168 H PHE 38 H PHE 38 -3.266 0.777 6.230 169 HA PHE 38 HA PHE 38 -5.171 -1.271 5.959 170 1HB PHE 38 2HB PHE 38 -4.867 -2.086 3.780 171 2HB PHE 38 1HB PHE 38 -5.041 -0.350 3.584 172 HD1 PHE 38 1HD PHE 38 -2.227 0.462 4.358 173 HD2 PHE 38 2HD PHE 38 -3.711 -2.629 1.838 174 HE1 PHE 38 1HE PHE 38 -0.140 0.519 3.054 175 HE2 PHE 38 2HE PHE 38 -1.630 -2.583 0.540 176 HZ PHE 38 HZ PHE 38 0.158 -1.012 1.140 177 H SER 39 H SER 39 -4.394 -3.071 6.857 178 HA SER 39 HA SER 39 -1.504 -3.182 7.356 179 1HB SER 39 2HB SER 39 -3.301 -5.055 8.779 180 2HB SER 39 1HB SER 39 -1.948 -4.105 9.390 181 HG SER 39 HG SER 39 -4.555 -3.576 9.550 182 H VAL 40 H VAL 40 -0.469 -5.305 7.357 183 HA VAL 40 HA VAL 40 -1.610 -7.055 5.282 184 HB VAL 40 HB VAL 40 0.698 -7.693 4.717 185 1HG1 VAL 40 1HG1 VAL 40 -0.356 -4.952 4.429 186 2HG1 VAL 40 2HG1 VAL 40 0.090 -6.134 3.198 187 3HG1 VAL 40 3HG1 VAL 40 1.340 -5.188 4.008 188 1HG2 VAL 40 1HG2 VAL 40 2.591 -6.693 5.660 189 2HG2 VAL 40 2HG2 VAL 40 1.555 -7.042 7.044 190 3HG2 VAL 40 3HG2 VAL 40 1.650 -5.401 6.403 191 H ALA 41 H ALA 41 -1.050 -9.334 5.423 192 HA ALA 41 HA ALA 41 -0.560 -10.214 8.195 193 1HB ALA 41 1HB ALA 41 -2.544 -11.285 6.200 194 2HB ALA 41 2HB ALA 41 -2.873 -10.566 7.776 195 3HB ALA 41 3HB ALA 41 -2.086 -12.141 7.671 196 H ASP 42 H ASP 42 0.123 -12.552 8.303 197 HA ASP 42 HA ASP 42 2.407 -12.923 6.628 198 1HB ASP 42 2HB ASP 42 2.711 -15.024 7.914 199 2HB ASP 42 1HB ASP 42 2.490 -13.620 8.952 200 H GLY 43 H GLY 43 2.829 -14.723 5.243 201 1HA GLY 43 2HA GLY 43 0.371 -15.751 3.974 202 2HA GLY 43 1HA GLY 43 1.897 -15.494 3.141 203 H LEU 44 H LEU 44 0.015 -17.645 5.068 204 HA LEU 44 HA LEU 44 2.204 -19.557 5.288 205 1HB LEU 44 2HB LEU 44 0.236 -18.943 7.027 206 2HB LEU 44 1HB LEU 44 -0.507 -20.298 6.200 207 HG LEU 44 HG LEU 44 0.583 -21.121 8.167 208 1HD1 LEU 44 1HD1 LEU 44 2.444 -21.825 5.919 209 2HD1 LEU 44 2HD1 LEU 44 0.770 -22.377 5.957 210 3HD1 LEU 44 3HD1 LEU 44 1.881 -22.840 7.246 211 1HD2 LEU 44 1HD2 LEU 44 2.142 -19.305 8.545 212 2HD2 LEU 44 2HD2 LEU 44 3.068 -19.770 7.118 213 3HD2 LEU 44 3HD2 LEU 44 3.003 -20.843 8.516 214 H LEU 45 H LEU 45 -0.450 -18.863 3.286 215 HA LEU 45 HA LEU 45 -0.780 -21.557 2.318 216 1HB LEU 45 2HB LEU 45 -2.315 -20.432 0.648 217 2HB LEU 45 1HB LEU 45 -2.781 -20.350 2.337 218 HG LEU 45 HG LEU 45 -1.165 -18.072 1.612 219 1HD1 LEU 45 1HD1 LEU 45 -2.330 -18.732 -0.605 220 2HD1 LEU 45 2HD1 LEU 45 -2.397 -17.057 -0.058 221 3HD1 LEU 45 3HD1 LEU 45 -3.786 -18.118 0.177 222 1HD2 LEU 45 1HD2 LEU 45 -2.571 -18.175 3.589 223 2HD2 LEU 45 2HD2 LEU 45 -4.006 -18.366 2.582 224 3HD2 LEU 45 3HD2 LEU 45 -3.092 -16.858 2.537 225 H GLU 46 H GLU 46 0.932 -18.699 1.419 226 HA GLU 46 HA GLU 46 2.400 -20.177 -0.580 227 1HB GLU 46 2HB GLU 46 1.988 -18.278 -2.274 228 2HB GLU 46 1HB GLU 46 0.765 -19.526 -2.090 229 1HG GLU 46 2HG GLU 46 -0.760 -18.001 -1.607 230 2HG GLU 46 1HG GLU 46 0.207 -17.427 -0.250 231 H LYS 47 H LYS 47 3.439 -19.317 1.674 232 HA LYS 47 HA LYS 47 4.722 -17.657 2.752 233 1HB LYS 47 2HB LYS 47 6.979 -17.752 1.669 234 2HB LYS 47 1HB LYS 47 6.238 -19.315 1.979 235 1HG LYS 47 2HG LYS 47 6.750 -19.798 -0.128 236 2HG LYS 47 1HG LYS 47 5.401 -18.751 -0.571 237 1HD LYS 47 2HD LYS 47 7.405 -16.941 -0.204 238 2HD LYS 47 1HD LYS 47 8.290 -18.327 -0.842 239 1HE LYS 47 2HE LYS 47 5.764 -17.510 -2.188 240 2HE LYS 47 1HE LYS 47 7.203 -16.523 -2.438 241 1HZ LYS 47 1HZ LYS 47 6.582 -18.705 -3.873 242 2HZ LYS 47 2HZ LYS 47 7.634 -19.365 -2.725 243 3HZ LYS 47 3HZ LYS 47 8.148 -18.087 -3.705 244 H GLY 48 H GLY 48 3.891 -15.602 2.720 245 1HA GLY 48 2HA GLY 48 5.264 -13.626 1.295 246 2HA GLY 48 1HA GLY 48 3.766 -13.948 0.437 247 H VAL 49 H VAL 49 3.576 -11.575 1.028 248 HA VAL 49 HA VAL 49 2.096 -11.374 3.561 249 HB VAL 49 HB VAL 49 4.061 -9.335 2.499 250 1HG1 VAL 49 1HG1 VAL 49 2.027 -9.175 4.701 251 2HG1 VAL 49 2HG1 VAL 49 2.316 -8.043 3.381 252 3HG1 VAL 49 3HG1 VAL 49 3.477 -8.171 4.704 253 1HG2 VAL 49 1HG2 VAL 49 4.643 -11.514 3.956 254 2HG2 VAL 49 2HG2 VAL 49 4.246 -10.383 5.247 255 3HG2 VAL 49 3HG2 VAL 49 5.519 -9.990 4.093 256 H TYR 50 H TYR 50 0.136 -10.451 3.368 257 HA TYR 50 HA TYR 50 -0.418 -8.787 1.023 258 1HB TYR 50 2HB TYR 50 -2.698 -10.471 1.604 259 2HB TYR 50 1HB TYR 50 -1.859 -10.210 0.080 260 HD1 TYR 50 1HD TYR 50 -2.683 -12.590 2.524 261 HD2 TYR 50 2HD TYR 50 0.432 -11.487 -0.150 262 HE1 TYR 50 1HE TYR 50 -1.791 -14.876 2.629 263 HE2 TYR 50 2HE TYR 50 1.333 -13.768 -0.057 264 HH TYR 50 HH TYR 50 1.283 -15.722 1.263 265 H VAL 51 H VAL 51 -2.337 -7.475 1.212 266 HA VAL 51 HA VAL 51 -2.589 -6.270 3.752 267 HB VAL 51 HB VAL 51 -4.465 -5.994 1.401 268 1HG1 VAL 51 1HG1 VAL 51 -3.910 -3.844 3.393 269 2HG1 VAL 51 2HG1 VAL 51 -5.043 -5.129 3.806 270 3HG1 VAL 51 3HG1 VAL 51 -5.339 -4.115 2.396 271 1HG2 VAL 51 1HG2 VAL 51 -2.084 -5.560 0.836 272 2HG2 VAL 51 2HG2 VAL 51 -2.059 -4.310 2.078 273 3HG2 VAL 51 3HG2 VAL 51 -3.118 -4.139 0.679 274 H LYS 52 H LYS 52 -3.604 -7.091 5.448 275 HA LYS 52 HA LYS 52 -5.762 -8.998 5.064 276 1HB LYS 52 2HB LYS 52 -4.374 -9.866 6.675 277 2HB LYS 52 1HB LYS 52 -3.929 -8.285 7.294 278 1HG LYS 52 2HG LYS 52 -5.625 -8.236 8.783 279 2HG LYS 52 1HG LYS 52 -6.729 -9.113 7.723 280 1HD LYS 52 2HD LYS 52 -4.930 -11.050 8.226 281 2HD LYS 52 1HD LYS 52 -4.810 -10.127 9.724 282 1HE LYS 52 2HE LYS 52 -6.471 -11.900 9.920 283 2HE LYS 52 1HE LYS 52 -7.224 -10.310 10.037 284 1HZ LYS 52 1HZ LYS 52 -7.098 -11.750 7.463 285 2HZ LYS 52 2HZ LYS 52 -8.145 -10.507 7.930 286 3HZ LYS 52 3HZ LYS 52 -8.336 -12.059 8.574 287 H ASN 53 H ASN 53 -5.248 -5.750 6.123 288 HA ASN 53 HA ASN 53 -8.141 -5.401 6.353 289 1HB ASN 53 2HB ASN 53 -6.232 -5.218 8.562 290 2HB ASN 53 1HB ASN 53 -7.225 -3.774 8.385 291 1HD2 ASN 53 1HD2 ASN 53 -7.362 -7.281 8.688 292 2HD2 ASN 53 2HD2 ASN 53 -8.915 -7.333 9.458 293 H ILE 54 H ILE 54 -8.855 -3.205 6.192 294 HA ILE 54 HA ILE 54 -6.890 -1.285 5.174 295 HB ILE 54 HB ILE 54 -9.404 -2.145 3.753 296 1HG1 ILE 54 2HG1 ILE 54 -6.848 -3.095 3.548 297 2HG1 ILE 54 1HG1 ILE 54 -8.055 -3.185 2.274 298 1HG2 ILE 54 1HG2 ILE 54 -9.536 0.166 3.535 299 2HG2 ILE 54 2HG2 ILE 54 -8.679 -0.331 2.075 300 3HG2 ILE 54 3HG2 ILE 54 -7.785 0.355 3.432 301 1HD1 ILE 54 1HD1 ILE 54 -7.010 -1.644 0.994 302 2HD1 ILE 54 2HD1 ILE 54 -5.608 -2.221 1.893 303 3HD1 ILE 54 3HD1 ILE 54 -6.413 -0.729 2.377 304 H ARG 55 H ARG 55 -7.059 0.340 6.580 305 HA ARG 55 HA ARG 55 -9.342 0.908 8.129 306 1HB ARG 55 2HB ARG 55 -6.864 1.544 8.525 307 2HB ARG 55 1HB ARG 55 -7.218 2.943 7.521 308 1HG ARG 55 2HG ARG 55 -8.706 3.834 9.068 309 2HG ARG 55 1HG ARG 55 -8.917 2.290 9.896 310 1HD ARG 55 2HD ARG 55 -6.815 2.430 10.927 311 2HD ARG 55 1HD ARG 55 -6.265 3.693 9.826 312 HE ARG 55 HE ARG 55 -7.833 4.030 12.220 313 1HH1 ARG 55 1HH1 ARG 55 -6.909 5.441 9.164 314 2HH1 ARG 55 2HH1 ARG 55 -7.256 7.062 9.667 315 1HH2 ARG 55 1HH2 ARG 55 -8.290 6.158 12.881 316 2HH2 ARG 55 2HH2 ARG 55 -8.039 7.470 11.776 317 HA PRO 56 HA PRO 56 -11.870 2.904 5.016 318 1HB PRO 56 2HB PRO 56 -13.121 4.074 7.452 319 2HB PRO 56 1HB PRO 56 -13.877 3.246 6.087 320 1HG PRO 56 2HG PRO 56 -13.595 2.016 8.428 321 2HG PRO 56 1HG PRO 56 -13.354 1.139 6.906 322 1HD PRO 56 2HD PRO 56 -11.329 2.171 8.842 323 2HD PRO 56 1HD PRO 56 -11.315 0.677 7.883 324 H ALA 57 H ALA 57 -12.491 5.106 4.435 325 HA ALA 57 HA ALA 57 -11.660 7.158 3.788 326 1HB ALA 57 1HB ALA 57 -13.176 7.308 5.958 327 2HB ALA 57 2HB ALA 57 -12.428 8.733 5.235 328 3HB ALA 57 3HB ALA 57 -11.688 7.965 6.641 329 H GLY 58 H GLY 58 -9.504 6.281 3.272 330 1HA GLY 58 2HA GLY 58 -7.468 7.900 4.432 331 2HA GLY 58 1HA GLY 58 -7.313 6.230 4.957 332 HA PRO 59 HA PRO 59 -4.916 6.928 0.956 333 1HB PRO 59 2HB PRO 59 -3.155 5.026 2.410 334 2HB PRO 59 1HB PRO 59 -2.731 6.470 1.486 335 1HG PRO 59 2HG PRO 59 -2.654 6.479 4.152 336 2HG PRO 59 1HG PRO 59 -3.210 7.899 3.246 337 1HD PRO 59 2HD PRO 59 -4.800 5.859 4.742 338 2HD PRO 59 1HD PRO 59 -5.067 7.608 4.586 339 H GLY 60 H GLY 60 -5.805 4.118 2.874 340 1HA GLY 60 2HA GLY 60 -5.450 2.237 0.732 341 2HA GLY 60 1HA GLY 60 -6.234 1.927 2.273 342 H ASP 61 H ASP 61 -8.259 3.840 2.200 343 HA ASP 61 HA ASP 61 -10.141 2.530 0.494 344 1HB ASP 61 2HB ASP 61 -10.668 3.470 2.772 345 2HB ASP 61 1HB ASP 61 -10.539 5.080 2.070 346 H LEU 62 H LEU 62 -8.329 5.512 0.426 347 HA LEU 62 HA LEU 62 -9.785 6.667 -1.742 348 1HB LEU 62 2HB LEU 62 -7.122 7.314 -0.491 349 2HB LEU 62 1HB LEU 62 -7.785 8.223 -1.837 350 HG LEU 62 HG LEU 62 -8.991 7.967 0.919 351 1HD1 LEU 62 1HD1 LEU 62 -8.004 10.440 -0.476 352 2HD1 LEU 62 2HD1 LEU 62 -6.981 9.467 0.581 353 3HD1 LEU 62 3HD1 LEU 62 -8.433 10.237 1.223 354 1HD2 LEU 62 1HD2 LEU 62 -10.815 8.057 -0.579 355 2HD2 LEU 62 2HD2 LEU 62 -10.018 9.257 -1.596 356 3HD2 LEU 62 3HD2 LEU 62 -10.591 9.704 0.011 357 H GLY 63 H GLY 63 -6.951 4.636 -1.425 358 1HA GLY 63 2HA GLY 63 -6.139 4.950 -4.172 359 2HA GLY 63 1HA GLY 63 -5.479 3.808 -3.012 360 H GLY 64 H GLY 64 -7.694 2.357 -2.294 361 1HA GLY 64 2HA GLY 64 -9.547 1.173 -3.384 362 2HA GLY 64 1HA GLY 64 -8.605 1.220 -4.866 363 H LEU 65 H LEU 65 -7.050 0.546 -1.833 364 HA LEU 65 HA LEU 65 -6.105 -1.975 -2.789 365 1HB LEU 65 2HB LEU 65 -5.865 -0.569 -0.136 366 2HB LEU 65 1HB LEU 65 -5.139 -2.134 -0.450 367 HG LEU 65 HG LEU 65 -4.469 -0.034 -2.408 368 1HD1 LEU 65 1HD1 LEU 65 -4.174 1.495 -0.749 369 2HD1 LEU 65 2HD1 LEU 65 -2.629 0.655 -0.634 370 3HD1 LEU 65 3HD1 LEU 65 -3.927 0.268 0.493 371 1HD2 LEU 65 1HD2 LEU 65 -3.364 -2.087 -2.661 372 2HD2 LEU 65 2HD2 LEU 65 -3.037 -2.224 -0.934 373 3HD2 LEU 65 3HD2 LEU 65 -2.174 -1.030 -1.904 374 H LYS 66 H LYS 66 -6.652 -4.030 -2.153 375 HA LYS 66 HA LYS 66 -9.121 -4.265 -0.556 376 1HB LYS 66 2HB LYS 66 -8.154 -6.269 -2.592 377 2HB LYS 66 1HB LYS 66 -9.750 -6.150 -1.864 378 1HG LYS 66 2HG LYS 66 -8.702 -3.900 -3.522 379 2HG LYS 66 1HG LYS 66 -9.371 -5.338 -4.295 380 1HD LYS 66 2HD LYS 66 -11.254 -4.774 -2.388 381 2HD LYS 66 1HD LYS 66 -10.719 -3.162 -2.873 382 1HE LYS 66 2HE LYS 66 -12.258 -3.424 -4.499 383 2HE LYS 66 1HE LYS 66 -10.973 -4.338 -5.289 384 1HZ LYS 66 1HZ LYS 66 -13.407 -5.304 -4.873 385 2HZ LYS 66 2HZ LYS 66 -12.659 -5.829 -3.450 386 3HZ LYS 66 3HZ LYS 66 -12.029 -6.283 -4.952 387 HA PRO 67 HA PRO 67 -7.023 -6.790 2.393 388 1HB PRO 67 2HB PRO 67 -8.915 -8.655 3.003 389 2HB PRO 67 1HB PRO 67 -8.986 -6.983 3.567 390 1HG PRO 67 2HG PRO 67 -10.397 -8.263 1.258 391 2HG PRO 67 1HG PRO 67 -11.028 -7.126 2.464 392 1HD PRO 67 2HD PRO 67 -10.310 -6.337 -0.013 393 2HD PRO 67 1HD PRO 67 -10.097 -5.294 1.408 394 H TYR 68 H TYR 68 -5.799 -7.441 0.280 395 HA TYR 68 HA TYR 68 -5.173 -10.144 0.443 396 1HB TYR 68 2HB TYR 68 -7.330 -9.506 -1.422 397 2HB TYR 68 1HB TYR 68 -5.996 -10.371 -2.178 398 HD1 TYR 68 1HD TYR 68 -5.077 -12.297 -0.361 399 HD2 TYR 68 2HD TYR 68 -9.067 -10.910 -0.864 400 HE1 TYR 68 1HE TYR 68 -5.922 -14.411 0.566 401 HE2 TYR 68 2HE TYR 68 -9.924 -13.020 0.060 402 HH TYR 68 HH TYR 68 -7.887 -15.310 1.609 403 H ASP 69 H ASP 69 -5.005 -7.125 -1.223 404 HA ASP 69 HA ASP 69 -3.246 -7.445 -3.241 405 1HB ASP 69 2HB ASP 69 -3.279 -5.250 -1.164 406 2HB ASP 69 1HB ASP 69 -2.382 -5.166 -2.675 407 H ARG 70 H ARG 70 -1.752 -9.020 -3.018 408 HA ARG 70 HA ARG 70 0.023 -9.212 -0.790 409 1HB ARG 70 2HB ARG 70 -0.506 -11.222 -1.891 410 2HB ARG 70 1HB ARG 70 -0.169 -10.543 -3.475 411 1HG ARG 70 2HG ARG 70 2.197 -10.546 -3.033 412 2HG ARG 70 1HG ARG 70 1.922 -11.058 -1.367 413 1HD ARG 70 2HD ARG 70 2.468 -13.052 -2.389 414 2HD ARG 70 1HD ARG 70 0.708 -13.075 -2.473 415 HE ARG 70 HE ARG 70 1.410 -11.931 -4.816 416 1HH1 ARG 70 1HH1 ARG 70 2.407 -14.867 -3.215 417 2HH1 ARG 70 2HH1 ARG 70 2.734 -15.710 -4.691 418 1HH2 ARG 70 1HH2 ARG 70 1.839 -13.039 -6.760 419 2HH2 ARG 70 2HH2 ARG 70 2.411 -14.673 -6.704 420 H LEU 71 H LEU 71 1.336 -7.486 -0.500 421 HA LEU 71 HA LEU 71 2.412 -5.823 -2.434 422 1HB LEU 71 2HB LEU 71 3.413 -6.574 0.303 423 2HB LEU 71 1HB LEU 71 4.204 -5.359 -0.685 424 HG LEU 71 HG LEU 71 1.572 -4.537 -0.700 425 1HD1 LEU 71 1HD1 LEU 71 1.387 -6.353 1.177 426 2HD1 LEU 71 2HD1 LEU 71 0.587 -4.790 1.350 427 3HD1 LEU 71 3HD1 LEU 71 2.119 -5.094 2.171 428 1HD2 LEU 71 1HD2 LEU 71 3.913 -3.734 1.010 429 2HD2 LEU 71 2HD2 LEU 71 2.400 -2.829 0.958 430 3HD2 LEU 71 3HD2 LEU 71 3.371 -3.010 -0.504 431 H LEU 72 H LEU 72 3.510 -6.502 -4.151 432 HA LEU 72 HA LEU 72 5.357 -8.722 -3.974 433 1HB LEU 72 2HB LEU 72 4.871 -6.961 -6.365 434 2HB LEU 72 1HB LEU 72 5.501 -8.596 -6.345 435 HG LEU 72 HG LEU 72 2.669 -7.751 -5.739 436 1HD1 LEU 72 1HD1 LEU 72 2.104 -8.438 -7.807 437 2HD1 LEU 72 2HD1 LEU 72 3.311 -9.719 -7.836 438 3HD1 LEU 72 3HD1 LEU 72 3.787 -8.053 -8.160 439 1HD2 LEU 72 1HD2 LEU 72 2.135 -9.935 -5.173 440 2HD2 LEU 72 2HD2 LEU 72 3.688 -9.701 -4.375 441 3HD2 LEU 72 3HD2 LEU 72 3.603 -10.590 -5.896 442 H GLN 73 H GLN 73 5.579 -5.324 -5.031 443 HA GLN 73 HA GLN 73 8.325 -5.263 -3.998 444 1HB GLN 73 2HB GLN 73 8.903 -3.835 -6.038 445 2HB GLN 73 1HB GLN 73 8.743 -5.568 -6.291 446 1HG GLN 73 2HG GLN 73 6.485 -5.233 -7.160 447 2HG GLN 73 1HG GLN 73 6.649 -3.496 -6.909 448 1HE2 GLN 73 1HE2 GLN 73 8.145 -2.335 -8.188 449 2HE2 GLN 73 2HE2 GLN 73 8.664 -2.945 -9.726 450 H VAL 74 H VAL 74 8.458 -3.702 -2.546 451 HA VAL 74 HA VAL 74 6.659 -1.392 -2.759 452 HB VAL 74 HB VAL 74 8.302 -2.235 -0.369 453 1HG1 VAL 74 1HG1 VAL 74 7.184 0.181 -0.856 454 2HG1 VAL 74 2HG1 VAL 74 7.415 -0.498 0.755 455 3HG1 VAL 74 3HG1 VAL 74 5.850 -0.641 -0.046 456 1HG2 VAL 74 1HG2 VAL 74 6.155 -3.090 0.541 457 2HG2 VAL 74 2HG2 VAL 74 6.737 -3.998 -0.855 458 3HG2 VAL 74 3HG2 VAL 74 5.423 -2.834 -1.045 459 H ASN 75 H ASN 75 7.470 0.432 -3.533 460 HA ASN 75 HA ASN 75 8.881 2.180 -3.917 461 1HB ASN 75 2HB ASN 75 9.807 1.136 -1.459 462 2HB ASN 75 1HB ASN 75 11.235 1.413 -2.451 463 1HD2 ASN 75 1HD2 ASN 75 9.430 2.770 -0.170 464 2HD2 ASN 75 2HD2 ASN 75 9.623 4.449 -0.559 465 H HIS 76 H HIS 76 10.926 -0.674 -3.476 466 HA HIS 76 HA HIS 76 11.477 -0.966 -6.245 467 1HB HIS 76 2HB HIS 76 12.885 1.079 -5.396 468 2HB HIS 76 1HB HIS 76 13.919 -0.166 -4.706 469 HD1 HIS 76 1HD HIS 76 15.594 1.070 -6.528 470 HD2 HIS 76 2HD HIS 76 12.626 -1.431 -8.008 471 HE1 HIS 76 1HE HIS 76 16.317 0.479 -8.862 472 HE2 HIS 76 2HE HIS 76 14.550 -1.106 -9.706 473 H VAL 77 H VAL 77 11.829 -1.848 -2.951 474 HA VAL 77 HA VAL 77 13.527 -4.138 -3.474 475 HB VAL 77 HB VAL 77 12.017 -3.505 -0.939 476 1HG1 VAL 77 1HG1 VAL 77 12.750 -5.598 -0.518 477 2HG1 VAL 77 2HG1 VAL 77 14.266 -4.765 -0.174 478 3HG1 VAL 77 3HG1 VAL 77 14.013 -5.520 -1.749 479 1HG2 VAL 77 1HG2 VAL 77 14.714 -2.567 -1.887 480 2HG2 VAL 77 2HG2 VAL 77 14.245 -2.572 -0.186 481 3HG2 VAL 77 3HG2 VAL 77 13.347 -1.592 -1.346 482 H ARG 78 H ARG 78 12.851 -6.112 -3.994 483 HA ARG 78 HA ARG 78 10.101 -6.649 -4.472 484 1HB ARG 78 2HB ARG 78 12.543 -8.423 -4.485 485 2HB ARG 78 1HB ARG 78 10.938 -8.994 -4.917 486 1HG ARG 78 2HG ARG 78 11.930 -8.517 -6.960 487 2HG ARG 78 1HG ARG 78 10.934 -7.095 -6.636 488 1HD ARG 78 2HD ARG 78 12.749 -5.753 -6.206 489 2HD ARG 78 1HD ARG 78 13.768 -7.107 -5.719 490 HE ARG 78 HE ARG 78 13.431 -6.057 -8.369 491 1HH1 ARG 78 1HH1 ARG 78 14.279 -8.885 -6.509 492 2HH1 ARG 78 2HH1 ARG 78 15.216 -9.594 -7.781 493 1HH2 ARG 78 1HH2 ARG 78 14.663 -6.987 -10.042 494 2HH2 ARG 78 2HH2 ARG 78 15.436 -8.516 -9.787 495 H THR 79 H THR 79 8.930 -6.501 -2.581 496 HA THR 79 HA THR 79 9.697 -8.201 -0.332 497 HB THR 79 HB THR 79 8.156 -6.965 0.984 498 HG1 THR 79 1HG THR 79 6.472 -5.935 0.191 499 1HG2 THR 79 1HG2 THR 79 8.880 -4.757 0.846 500 2HG2 THR 79 2HG2 THR 79 9.105 -4.843 -0.901 501 3HG2 THR 79 3HG2 THR 79 10.212 -5.697 0.174 502 H ARG 80 H ARG 80 8.771 -9.451 -2.754 503 HA ARG 80 HA ARG 80 6.045 -10.203 -2.536 504 1HB ARG 80 2HB ARG 80 8.362 -10.959 -4.171 505 2HB ARG 80 1HB ARG 80 7.236 -12.278 -3.885 506 1HG ARG 80 2HG ARG 80 5.405 -10.765 -4.697 507 2HG ARG 80 1HG ARG 80 6.664 -9.625 -5.178 508 1HD ARG 80 2HD ARG 80 7.419 -10.958 -6.875 509 2HD ARG 80 1HD ARG 80 6.914 -12.444 -6.075 510 HE ARG 80 HE ARG 80 4.983 -10.592 -7.309 511 1HH1 ARG 80 1HH1 ARG 80 6.247 -13.824 -6.861 512 2HH1 ARG 80 2HH1 ARG 80 4.986 -14.571 -7.778 513 1HH2 ARG 80 1HH2 ARG 80 3.330 -11.588 -8.512 514 2HH2 ARG 80 2HH2 ARG 80 3.334 -13.308 -8.713 515 H ASP 81 H ASP 81 9.050 -11.932 -1.714 516 HA ASP 81 HA ASP 81 7.509 -13.883 -0.183 517 1HB ASP 81 2HB ASP 81 9.728 -15.038 0.043 518 2HB ASP 81 1HB ASP 81 9.174 -14.844 -1.617 519 H PHE 82 H PHE 82 7.937 -11.048 0.687 520 HA PHE 82 HA PHE 82 9.708 -11.213 2.952 521 1HB PHE 82 2HB PHE 82 8.021 -9.123 1.682 522 2HB PHE 82 1HB PHE 82 8.349 -8.938 3.401 523 HD1 PHE 82 1HD PHE 82 9.673 -6.982 3.235 524 HD2 PHE 82 2HD PHE 82 10.703 -10.457 1.009 525 HE1 PHE 82 1HE PHE 82 11.863 -5.990 2.709 526 HE2 PHE 82 2HE PHE 82 12.894 -9.474 0.479 527 HZ PHE 82 HZ PHE 82 13.478 -7.237 1.328 528 H ASP 83 H ASP 83 8.739 -10.334 5.102 529 HA ASP 83 HA ASP 83 6.315 -11.904 5.683 530 1HB ASP 83 2HB ASP 83 8.888 -11.595 7.102 531 2HB ASP 83 1HB ASP 83 7.457 -11.530 8.128 532 H CYS 84 H CYS 84 4.952 -11.048 7.445 533 HA CYS 84 HA CYS 84 4.082 -8.474 6.978 534 1HB CYS 84 2HB CYS 84 2.768 -10.194 8.171 535 2HB CYS 84 1HB CYS 84 3.824 -10.018 9.567 536 HG CYS 84 HG CYS 84 2.613 -7.362 8.972 537 H CYS 85 H CYS 85 6.350 -9.617 9.439 538 HA CYS 85 HA CYS 85 6.680 -7.174 10.757 539 1HB CYS 85 2HB CYS 85 7.396 -9.501 11.532 540 2HB CYS 85 1HB CYS 85 8.822 -9.275 10.528 541 HG CYS 85 HG CYS 85 8.423 -7.058 12.584 542 H LEU 86 H LEU 86 7.813 -8.259 7.714 543 HA LEU 86 HA LEU 86 9.943 -6.257 7.624 544 1HB LEU 86 2HB LEU 86 9.375 -8.762 6.243 545 2HB LEU 86 1HB LEU 86 9.830 -7.479 5.138 546 HG LEU 86 HG LEU 86 11.876 -7.111 6.581 547 1HD1 LEU 86 1HD1 LEU 86 10.629 -9.395 7.982 548 2HD1 LEU 86 2HD1 LEU 86 11.645 -8.095 8.604 549 3HD1 LEU 86 3HD1 LEU 86 12.377 -9.457 7.757 550 1HD2 LEU 86 1HD2 LEU 86 12.440 -8.141 4.630 551 2HD2 LEU 86 2HD2 LEU 86 11.323 -9.483 4.885 552 3HD2 LEU 86 3HD2 LEU 86 12.852 -9.431 5.761 553 H VAL 87 H VAL 87 6.800 -6.993 6.293 554 HA VAL 87 HA VAL 87 6.864 -4.910 4.324 555 HB VAL 87 HB VAL 87 4.515 -6.480 5.397 556 1HG1 VAL 87 1HG1 VAL 87 3.334 -4.906 4.314 557 2HG1 VAL 87 2HG1 VAL 87 3.878 -5.728 2.851 558 3HG1 VAL 87 3HG1 VAL 87 4.746 -4.311 3.441 559 1HG2 VAL 87 1HG2 VAL 87 5.870 -8.079 4.412 560 2HG2 VAL 87 2HG2 VAL 87 6.464 -6.967 3.179 561 3HG2 VAL 87 3HG2 VAL 87 4.819 -7.598 3.079 562 H VAL 88 H VAL 88 5.643 -5.280 7.611 563 HA VAL 88 HA VAL 88 4.058 -2.991 7.744 564 HB VAL 88 HB VAL 88 5.690 -4.267 9.946 565 1HG1 VAL 88 1HG1 VAL 88 3.469 -2.231 10.081 566 2HG1 VAL 88 2HG1 VAL 88 5.139 -2.027 10.612 567 3HG1 VAL 88 3HG1 VAL 88 4.071 -3.141 11.466 568 1HG2 VAL 88 1HG2 VAL 88 2.766 -4.573 9.860 569 2HG2 VAL 88 2HG2 VAL 88 4.021 -5.747 10.256 570 3HG2 VAL 88 3HG2 VAL 88 3.650 -5.388 8.569 571 HA PRO 89 HA PRO 89 8.012 -0.581 9.217 572 1HB PRO 89 2HB PRO 89 10.410 -1.670 8.522 573 2HB PRO 89 1HB PRO 89 9.627 -1.970 10.078 574 1HG PRO 89 2HG PRO 89 9.658 -3.670 7.614 575 2HG PRO 89 1HG PRO 89 9.858 -4.151 9.309 576 1HD PRO 89 2HD PRO 89 7.525 -4.463 8.005 577 2HD PRO 89 1HD PRO 89 7.589 -4.074 9.732 578 H LEU 90 H LEU 90 8.596 -2.550 6.292 579 HA LEU 90 HA LEU 90 9.847 -0.622 4.749 580 1HB LEU 90 2HB LEU 90 8.080 -2.941 4.029 581 2HB LEU 90 1HB LEU 90 8.769 -1.904 2.794 582 HG LEU 90 HG LEU 90 10.539 -3.218 4.826 583 1HD1 LEU 90 1HD1 LEU 90 8.870 -4.713 3.274 584 2HD1 LEU 90 2HD1 LEU 90 10.438 -5.243 3.882 585 3HD1 LEU 90 3HD1 LEU 90 10.302 -4.583 2.252 586 1HD2 LEU 90 1HD2 LEU 90 11.888 -1.821 3.664 587 2HD2 LEU 90 2HD2 LEU 90 10.832 -1.799 2.251 588 3HD2 LEU 90 3HD2 LEU 90 11.906 -3.170 2.527 589 H ILE 91 H ILE 91 6.489 -1.022 5.552 590 HA ILE 91 HA ILE 91 5.503 0.799 3.559 591 HB ILE 91 HB ILE 91 4.235 -0.499 5.968 592 1HG1 ILE 91 2HG1 ILE 91 3.531 -0.803 3.051 593 2HG1 ILE 91 1HG1 ILE 91 4.764 -1.794 3.832 594 1HG2 ILE 91 1HG2 ILE 91 2.640 1.046 5.990 595 2HG2 ILE 91 2HG2 ILE 91 2.198 0.553 4.355 596 3HG2 ILE 91 3HG2 ILE 91 3.348 1.866 4.600 597 1HD1 ILE 91 1HD1 ILE 91 2.127 -1.663 5.155 598 2HD1 ILE 91 2HD1 ILE 91 3.247 -3.013 4.975 599 3HD1 ILE 91 3HD1 ILE 91 2.219 -2.534 3.625 600 H ALA 92 H ALA 92 6.001 0.943 7.080 601 HA ALA 92 HA ALA 92 5.214 3.658 7.282 602 1HB ALA 92 1HB ALA 92 4.938 2.890 9.351 603 2HB ALA 92 2HB ALA 92 6.674 3.133 9.555 604 3HB ALA 92 3HB ALA 92 6.053 1.550 9.087 605 H GLU 93 H GLU 93 7.963 2.344 5.970 606 HA GLU 93 HA GLU 93 9.606 4.651 6.772 607 1HB GLU 93 2HB GLU 93 11.565 3.342 6.223 608 2HB GLU 93 1HB GLU 93 10.551 2.446 7.347 609 1HG GLU 93 2HG GLU 93 10.638 0.729 5.963 610 2HG GLU 93 1HG GLU 93 9.698 1.671 4.806 611 H SER 94 H SER 94 7.724 3.574 4.268 612 HA SER 94 HA SER 94 9.304 4.162 2.014 613 1HB SER 94 2HB SER 94 6.999 2.950 2.188 614 2HB SER 94 1HB SER 94 6.336 4.576 2.015 615 HG SER 94 HG SER 94 7.464 2.956 0.144 616 H GLY 95 H GLY 95 7.918 6.192 4.349 617 1HA GLY 95 2HA GLY 95 8.505 8.497 4.480 618 2HA GLY 95 1HA GLY 95 8.646 8.529 2.730 619 H ASN 96 H ASN 96 7.332 10.402 2.666 620 HA ASN 96 HA ASN 96 4.676 10.402 3.713 621 1HB ASN 96 2HB ASN 96 4.433 12.489 2.325 622 2HB ASN 96 1HB ASN 96 5.776 12.512 3.465 623 1HD2 ASN 96 1HD2 ASN 96 7.505 13.423 2.654 624 2HD2 ASN 96 2HD2 ASN 96 8.042 13.322 1.009 625 H LYS 97 H LYS 97 6.029 8.891 1.039 626 HA LYS 97 HA LYS 97 3.368 8.483 -0.114 627 1HB LYS 97 2HB LYS 97 5.778 9.563 -1.498 628 2HB LYS 97 1HB LYS 97 4.745 8.455 -2.389 629 1HG LYS 97 2HG LYS 97 2.995 9.920 -2.463 630 2HG LYS 97 1HG LYS 97 3.479 10.743 -0.979 631 1HD LYS 97 2HD LYS 97 4.001 12.318 -2.586 632 2HD LYS 97 1HD LYS 97 5.543 11.481 -2.387 633 1HE LYS 97 2HE LYS 97 5.216 10.223 -4.372 634 2HE LYS 97 1HE LYS 97 3.528 10.720 -4.489 635 1HZ LYS 97 1HZ LYS 97 5.952 12.186 -5.201 636 2HZ LYS 97 2HZ LYS 97 4.658 13.084 -4.583 637 3HZ LYS 97 3HZ LYS 97 4.447 12.145 -5.974 638 H LEU 98 H LEU 98 2.948 6.381 -0.276 639 HA LEU 98 HA LEU 98 5.216 4.507 -0.286 640 1HB LEU 98 2HB LEU 98 3.071 4.611 1.404 641 2HB LEU 98 1HB LEU 98 2.526 3.436 0.228 642 HG LEU 98 HG LEU 98 4.841 3.256 2.128 643 1HD1 LEU 98 1HD1 LEU 98 2.557 1.421 1.433 644 2HD1 LEU 98 2HD1 LEU 98 2.676 2.444 2.864 645 3HD1 LEU 98 3HD1 LEU 98 3.801 1.105 2.641 646 1HD2 LEU 98 1HD2 LEU 98 6.016 1.802 0.882 647 2HD2 LEU 98 2HD2 LEU 98 5.191 2.548 -0.484 648 3HD2 LEU 98 3HD2 LEU 98 4.569 1.054 0.210 649 H ASP 99 H ASP 99 5.650 4.234 -2.433 650 HA ASP 99 HA ASP 99 3.440 3.499 -4.218 651 1HB ASP 99 2HB ASP 99 5.213 5.257 -4.844 652 2HB ASP 99 1HB ASP 99 6.319 3.898 -5.032 653 H LEU 100 H LEU 100 3.022 1.402 -4.465 654 HA LEU 100 HA LEU 100 5.240 -0.490 -4.616 655 1HB LEU 100 2HB LEU 100 3.932 -2.029 -3.046 656 2HB LEU 100 1HB LEU 100 4.846 -0.711 -2.335 657 HG LEU 100 HG LEU 100 2.558 0.566 -2.476 658 1HD1 LEU 100 1HD1 LEU 100 1.760 -1.832 -3.558 659 2HD1 LEU 100 2HD1 LEU 100 0.701 -0.593 -2.885 660 3HD1 LEU 100 3HD1 LEU 100 1.222 -1.948 -1.883 661 1HD2 LEU 100 1HD2 LEU 100 2.199 -1.265 -0.307 662 2HD2 LEU 100 2HD2 LEU 100 2.750 0.409 -0.272 663 3HD2 LEU 100 3HD2 LEU 100 3.914 -0.898 -0.489 664 H VAL 101 H VAL 101 4.750 -2.455 -5.616 665 HA VAL 101 HA VAL 101 2.258 -2.432 -7.183 666 HB VAL 101 HB VAL 101 4.706 -4.095 -7.762 667 1HG1 VAL 101 1HG1 VAL 101 2.917 -3.180 -9.910 668 2HG1 VAL 101 2HG1 VAL 101 2.203 -4.310 -8.759 669 3HG1 VAL 101 3HG1 VAL 101 3.662 -4.756 -9.643 670 1HG2 VAL 101 1HG2 VAL 101 5.579 -1.934 -7.908 671 2HG2 VAL 101 2HG2 VAL 101 4.081 -1.273 -8.563 672 3HG2 VAL 101 3HG2 VAL 101 5.100 -2.307 -9.563 673 H ILE 102 H ILE 102 0.745 -3.633 -6.212 674 HA ILE 102 HA ILE 102 1.570 -6.094 -4.829 675 HB ILE 102 HB ILE 102 -0.581 -6.023 -3.699 676 1HG1 ILE 102 2HG1 ILE 102 -1.828 -3.700 -4.098 677 2HG1 ILE 102 1HG1 ILE 102 -1.105 -3.877 -5.697 678 1HG2 ILE 102 1HG2 ILE 102 0.213 -4.617 -2.159 679 2HG2 ILE 102 2HG2 ILE 102 0.083 -3.232 -3.243 680 3HG2 ILE 102 3HG2 ILE 102 1.512 -4.262 -3.299 681 1HD1 ILE 102 1HD1 ILE 102 -2.375 -5.692 -6.222 682 2HD1 ILE 102 2HD1 ILE 102 -3.489 -4.818 -5.171 683 3HD1 ILE 102 3HD1 ILE 102 -2.570 -6.183 -4.540 684 H SER 103 H SER 103 -0.093 -7.883 -4.907 685 HA SER 103 HA SER 103 -1.420 -8.086 -7.511 686 1HB SER 103 2HB SER 103 0.943 -9.547 -6.703 687 2HB SER 103 1HB SER 103 -0.393 -10.655 -7.001 688 HG SER 103 HG SER 103 0.934 -10.068 -8.872 689 H ARG 104 H ARG 104 -3.456 -8.740 -7.265 690 HA ARG 104 HA ARG 104 -4.105 -10.548 -5.049 691 1HB ARG 104 2HB ARG 104 -6.261 -9.168 -4.780 692 2HB ARG 104 1HB ARG 104 -4.779 -8.537 -4.080 693 1HG ARG 104 2HG ARG 104 -5.356 -6.636 -5.098 694 2HG ARG 104 1HG ARG 104 -4.724 -7.407 -6.553 695 1HD ARG 104 2HD ARG 104 -7.000 -6.387 -6.797 696 2HD ARG 104 1HD ARG 104 -6.898 -8.093 -7.234 697 HE ARG 104 HE ARG 104 -7.684 -7.707 -4.512 698 1HH1 ARG 104 1HH1 ARG 104 -8.851 -7.730 -7.802 699 2HH1 ARG 104 2HH1 ARG 104 -10.474 -8.135 -7.356 700 1HH2 ARG 104 1HH2 ARG 104 -9.820 -8.240 -3.924 701 2HH2 ARG 104 2HH2 ARG 104 -11.025 -8.424 -5.155 702 H ASN 105 H ASN 105 -5.289 -12.218 -5.667 703 HA ASN 105 HA ASN 105 -6.204 -12.437 -8.368 704 1HB ASN 105 2HB ASN 105 -7.115 -14.670 -7.521 705 2HB ASN 105 1HB ASN 105 -5.372 -14.438 -7.442 706 1HD2 ASN 105 1HD2 ASN 105 -8.338 -14.366 -5.574 707 2HD2 ASN 105 2HD2 ASN 105 -7.597 -14.679 -4.042 708 HA PRO 106 HA PRO 106 -10.142 -10.414 -7.508 709 1HB PRO 106 2HB PRO 106 -10.730 -11.551 -10.193 710 2HB PRO 106 1HB PRO 106 -10.929 -9.898 -9.602 711 1HG PRO 106 2HG PRO 106 -8.931 -10.517 -11.250 712 2HG PRO 106 1HG PRO 106 -8.689 -9.376 -9.913 713 1HD PRO 106 2HD PRO 106 -7.859 -12.240 -10.138 714 2HD PRO 106 1HD PRO 106 -7.000 -10.869 -9.405 Start of MODEL 4 1 1H SER 16 1HT SER 16 -9.911 -10.372 -14.521 2 2H SER 16 2HT SER 16 -10.308 -11.945 -15.082 3 3H SER 16 3HT SER 16 -8.667 -11.501 -14.858 4 HA SER 16 HA SER 16 -8.706 -11.820 -12.693 5 1HB SER 16 2HB SER 16 -11.119 -11.520 -11.539 6 2HB SER 16 1HB SER 16 -10.048 -10.158 -11.861 7 HG SER 16 HG SER 16 -11.340 -9.487 -13.407 8 HA PRO 17 HA PRO 17 -11.009 -15.754 -14.015 9 1HB PRO 17 2HB PRO 17 -8.860 -17.226 -14.769 10 2HB PRO 17 1HB PRO 17 -9.753 -16.191 -15.888 11 1HG PRO 17 2HG PRO 17 -7.176 -15.663 -14.467 12 2HG PRO 17 1HG PRO 17 -7.626 -15.301 -16.143 13 1HD PRO 17 2HD PRO 17 -7.637 -13.430 -14.171 14 2HD PRO 17 1HD PRO 17 -8.741 -13.377 -15.559 15 H THR 18 H THR 18 -7.754 -15.579 -12.563 16 HA THR 18 HA THR 18 -8.630 -16.590 -10.085 17 HB THR 18 HB THR 18 -6.737 -18.506 -11.360 18 HG1 THR 18 1HG THR 18 -9.547 -18.729 -11.606 19 1HG2 THR 18 1HG2 THR 18 -8.079 -20.107 -9.942 20 2HG2 THR 18 2HG2 THR 18 -8.808 -18.679 -9.209 21 3HG2 THR 18 3HG2 THR 18 -7.068 -18.941 -9.089 22 HA PRO 19 HA PRO 19 -3.687 -16.302 -10.132 23 1HB PRO 19 2HB PRO 19 -3.002 -14.748 -12.390 24 2HB PRO 19 1HB PRO 19 -2.619 -16.449 -12.120 25 1HG PRO 19 2HG PRO 19 -4.828 -15.229 -13.694 26 2HG PRO 19 1HG PRO 19 -3.936 -16.734 -13.981 27 1HD PRO 19 2HD PRO 19 -6.430 -16.772 -13.030 28 2HD PRO 19 1HD PRO 19 -5.215 -17.925 -12.447 29 H VAL 20 H VAL 20 -3.298 -14.780 -8.683 30 HA VAL 20 HA VAL 20 -4.729 -12.562 -8.099 31 HB VAL 20 HB VAL 20 -2.719 -11.622 -6.996 32 1HG1 VAL 20 1HG1 VAL 20 -2.799 -14.577 -6.490 33 2HG1 VAL 20 2HG1 VAL 20 -4.166 -13.539 -6.090 34 3HG1 VAL 20 3HG1 VAL 20 -2.596 -13.259 -5.336 35 1HG2 VAL 20 1HG2 VAL 20 -1.393 -13.612 -8.740 36 2HG2 VAL 20 2HG2 VAL 20 -0.744 -13.412 -7.112 37 3HG2 VAL 20 3HG2 VAL 20 -0.840 -12.027 -8.200 38 H GLU 21 H GLU 21 -5.036 -10.571 -8.862 39 HA GLU 21 HA GLU 21 -3.471 -9.729 -11.193 40 1HB GLU 21 2HB GLU 21 -6.212 -9.600 -10.585 41 2HB GLU 21 1HB GLU 21 -5.635 -7.943 -10.462 42 1HG GLU 21 2HG GLU 21 -4.958 -7.886 -12.694 43 2HG GLU 21 1HG GLU 21 -4.999 -9.643 -12.844 44 H LEU 22 H LEU 22 -1.873 -8.294 -10.896 45 HA LEU 22 HA LEU 22 -1.822 -6.859 -8.363 46 1HB LEU 22 2HB LEU 22 0.552 -6.497 -8.775 47 2HB LEU 22 1HB LEU 22 0.126 -8.199 -8.816 48 HG LEU 22 HG LEU 22 -0.040 -7.784 -11.390 49 1HD1 LEU 22 1HD1 LEU 22 0.776 -5.256 -10.536 50 2HD1 LEU 22 2HD1 LEU 22 0.740 -5.860 -12.192 51 3HD1 LEU 22 3HD1 LEU 22 2.215 -5.995 -11.236 52 1HD2 LEU 22 1HD2 LEU 22 1.520 -9.292 -10.197 53 2HD2 LEU 22 2HD2 LEU 22 2.630 -7.935 -10.001 54 3HD2 LEU 22 3HD2 LEU 22 2.240 -8.531 -11.615 55 H HIS 23 H HIS 23 -1.235 -4.678 -8.208 56 HA HIS 23 HA HIS 23 -1.333 -3.044 -10.612 57 1HB HIS 23 2HB HIS 23 -3.129 -2.085 -8.458 58 2HB HIS 23 1HB HIS 23 -3.297 -1.955 -10.204 59 HD1 HIS 23 1HD HIS 23 -4.284 -4.092 -11.438 60 HD2 HIS 23 2HD HIS 23 -4.542 -4.134 -7.289 61 HE1 HIS 23 1HE HIS 23 -5.954 -5.889 -10.885 62 HE2 HIS 23 2HE HIS 23 -6.029 -5.954 -8.368 63 H LYS 24 H LYS 24 -0.483 -0.954 -10.312 64 HA LYS 24 HA LYS 24 1.385 -0.765 -8.121 65 1HB LYS 24 2HB LYS 24 2.149 1.289 -9.255 66 2HB LYS 24 1HB LYS 24 2.098 -0.090 -10.345 67 1HG LYS 24 2HG LYS 24 -0.383 1.004 -10.684 68 2HG LYS 24 1HG LYS 24 0.625 2.427 -10.428 69 1HD LYS 24 2HD LYS 24 0.519 1.915 -12.790 70 2HD LYS 24 1HD LYS 24 2.153 1.625 -12.193 71 1HE LYS 24 2HE LYS 24 0.973 -0.812 -11.830 72 2HE LYS 24 1HE LYS 24 0.191 -0.244 -13.305 73 1HZ LYS 24 1HZ LYS 24 3.121 -0.437 -12.857 74 2HZ LYS 24 2HZ LYS 24 2.381 0.132 -14.268 75 3HZ LYS 24 3HZ LYS 24 2.191 -1.484 -13.806 76 H VAL 25 H VAL 25 0.504 -0.248 -6.210 77 HA VAL 25 HA VAL 25 -1.492 1.895 -6.097 78 HB VAL 25 HB VAL 25 -1.058 0.841 -3.499 79 1HG1 VAL 25 1HG1 VAL 25 -3.301 0.795 -3.477 80 2HG1 VAL 25 2HG1 VAL 25 -3.403 -0.103 -4.992 81 3HG1 VAL 25 3HG1 VAL 25 -3.148 1.642 -5.017 82 1HG2 VAL 25 1HG2 VAL 25 -1.605 -1.531 -3.824 83 2HG2 VAL 25 2HG2 VAL 25 -0.031 -1.120 -4.502 84 3HG2 VAL 25 3HG2 VAL 25 -1.420 -1.329 -5.567 85 H THR 26 H THR 26 -1.174 3.775 -5.018 86 HA THR 26 HA THR 26 1.407 4.147 -3.660 87 HB THR 26 HB THR 26 0.101 6.098 -5.569 88 HG1 THR 26 1HG THR 26 2.385 4.447 -5.782 89 1HG2 THR 26 1HG2 THR 26 2.297 6.406 -3.640 90 2HG2 THR 26 2HG2 THR 26 1.216 7.609 -4.342 91 3HG2 THR 26 3HG2 THR 26 2.599 7.021 -5.265 92 H LEU 27 H LEU 27 0.895 4.483 -1.580 93 HA LEU 27 HA LEU 27 -1.504 6.064 -0.957 94 1HB LEU 27 2HB LEU 27 0.073 4.252 0.868 95 2HB LEU 27 1HB LEU 27 -1.452 5.033 1.238 96 HG LEU 27 HG LEU 27 -1.006 2.845 -0.791 97 1HD1 LEU 27 1HD1 LEU 27 -2.843 1.873 0.862 98 2HD1 LEU 27 2HD1 LEU 27 -2.021 2.949 1.991 99 3HD1 LEU 27 3HD1 LEU 27 -1.114 1.684 1.159 100 1HD2 LEU 27 1HD2 LEU 27 -3.446 2.907 -1.093 101 2HD2 LEU 27 2HD2 LEU 27 -2.669 4.403 -1.617 102 3HD2 LEU 27 3HD2 LEU 27 -3.521 4.345 -0.073 103 H TYR 28 H TYR 28 -1.265 7.198 1.277 104 HA TYR 28 HA TYR 28 1.335 8.574 1.398 105 1HB TYR 28 2HB TYR 28 -1.306 9.954 1.876 106 2HB TYR 28 1HB TYR 28 0.280 10.690 1.674 107 HD1 TYR 28 1HD TYR 28 -2.451 8.937 -0.095 108 HD2 TYR 28 2HD TYR 28 1.130 11.199 -0.487 109 HE1 TYR 28 1HE TYR 28 -2.893 9.207 -2.498 110 HE2 TYR 28 2HE TYR 28 0.699 11.476 -2.892 111 HH TYR 28 HH TYR 28 -0.562 10.340 -4.679 112 H LYS 29 H LYS 29 1.882 9.460 3.485 113 HA LYS 29 HA LYS 29 0.491 8.079 5.685 114 1HB LYS 29 2HB LYS 29 3.144 7.869 4.943 115 2HB LYS 29 1HB LYS 29 3.195 9.014 6.275 116 1HG LYS 29 2HG LYS 29 1.713 6.423 6.516 117 2HG LYS 29 1HG LYS 29 3.452 6.521 6.802 118 1HD LYS 29 2HD LYS 29 1.566 8.397 8.177 119 2HD LYS 29 1HD LYS 29 1.835 6.771 8.805 120 1HE LYS 29 2HE LYS 29 3.415 7.978 9.962 121 2HE LYS 29 1HE LYS 29 4.351 7.406 8.583 122 1HZ LYS 29 1HZ LYS 29 2.999 9.975 8.297 123 2HZ LYS 29 2HZ LYS 29 4.505 9.475 7.713 124 3HZ LYS 29 3HZ LYS 29 4.336 9.928 9.333 125 H ASP 30 H ASP 30 -0.077 9.186 7.493 126 HA ASP 30 HA ASP 30 0.324 12.102 7.426 127 1HB ASP 30 2HB ASP 30 -2.047 11.217 7.192 128 2HB ASP 30 1HB ASP 30 -1.905 10.646 8.852 129 H SER 31 H SER 31 1.235 13.087 9.145 130 HA SER 31 HA SER 31 2.745 11.656 10.992 131 1HB SER 31 2HB SER 31 1.734 14.505 11.163 132 2HB SER 31 1HB SER 31 3.000 13.823 12.185 133 HG SER 31 HG SER 31 3.087 14.001 9.352 134 H GLY 32 H GLY 32 1.360 10.079 11.910 135 1HA GLY 32 2HA GLY 32 0.578 10.242 14.429 136 2HA GLY 32 1HA GLY 32 -0.788 11.023 13.650 137 H MET 33 H MET 33 -0.229 9.087 11.293 138 HA MET 33 HA MET 33 -2.081 7.077 12.213 139 1HB MET 33 2HB MET 33 -0.899 7.861 9.591 140 2HB MET 33 1HB MET 33 -1.528 6.228 9.756 141 1HG MET 33 2HG MET 33 -3.563 7.683 10.803 142 2HG MET 33 1HG MET 33 -2.939 8.788 9.580 143 1HE MET 33 1HE MET 33 -6.216 6.469 8.520 144 2HE MET 33 2HE MET 33 -5.785 7.724 9.681 145 3HE MET 33 3HE MET 33 -5.543 6.025 10.089 146 H GLU 34 H GLU 34 -1.701 4.927 12.527 147 HA GLU 34 HA GLU 34 1.019 4.172 13.092 148 1HB GLU 34 2HB GLU 34 -1.256 3.525 14.305 149 2HB GLU 34 1HB GLU 34 -1.193 2.181 13.173 150 1HG GLU 34 2HG GLU 34 0.657 1.261 14.147 151 2HG GLU 34 1HG GLU 34 1.231 2.806 14.774 152 H ASP 35 H ASP 35 -0.925 4.071 10.361 153 HA ASP 35 HA ASP 35 0.994 2.424 8.969 154 1HB ASP 35 2HB ASP 35 -1.483 1.299 9.895 155 2HB ASP 35 1HB ASP 35 -1.489 1.345 8.135 156 H PHE 36 H PHE 36 -0.369 1.992 6.620 157 HA PHE 36 HA PHE 36 -0.728 4.744 5.683 158 1HB PHE 36 2HB PHE 36 0.326 2.261 4.495 159 2HB PHE 36 1HB PHE 36 -0.654 3.243 3.412 160 HD1 PHE 36 1HD PHE 36 0.119 5.354 2.613 161 HD2 PHE 36 2HD PHE 36 2.395 3.153 5.454 162 HE1 PHE 36 1HE PHE 36 2.044 6.831 2.209 163 HE2 PHE 36 2HE PHE 36 4.324 4.626 5.055 164 HZ PHE 36 HZ PHE 36 4.150 6.469 3.431 165 H GLY 37 H GLY 37 -2.831 3.223 7.083 166 1HA GLY 37 2HA GLY 37 -5.149 3.400 6.862 167 2HA GLY 37 1HA GLY 37 -4.940 3.732 5.153 168 H PHE 38 H PHE 38 -3.316 0.979 6.471 169 HA PHE 38 HA PHE 38 -5.359 -0.927 6.211 170 1HB PHE 38 2HB PHE 38 -5.002 -1.894 4.089 171 2HB PHE 38 1HB PHE 38 -5.087 -0.163 3.797 172 HD1 PHE 38 1HD PHE 38 -2.404 0.760 4.442 173 HD2 PHE 38 2HD PHE 38 -3.659 -2.794 2.465 174 HE1 PHE 38 1HE PHE 38 -0.246 0.654 3.266 175 HE2 PHE 38 2HE PHE 38 -1.504 -2.907 1.289 176 HZ PHE 38 HZ PHE 38 0.205 -1.183 1.685 177 H SER 39 H SER 39 -4.738 -2.679 7.310 178 HA SER 39 HA SER 39 -1.934 -2.926 8.040 179 1HB SER 39 2HB SER 39 -4.443 -4.280 9.039 180 2HB SER 39 1HB SER 39 -2.828 -4.713 9.599 181 HG SER 39 HG SER 39 -2.635 -2.385 10.112 182 H VAL 40 H VAL 40 -0.729 -4.840 7.796 183 HA VAL 40 HA VAL 40 -1.676 -6.545 5.596 184 HB VAL 40 HB VAL 40 0.681 -7.016 5.110 185 1HG1 VAL 40 1HG1 VAL 40 0.888 -5.190 3.804 186 2HG1 VAL 40 2HG1 VAL 40 0.687 -4.072 5.151 187 3HG1 VAL 40 3HG1 VAL 40 -0.726 -4.827 4.414 188 1HG2 VAL 40 1HG2 VAL 40 1.238 -5.013 7.297 189 2HG2 VAL 40 2HG2 VAL 40 2.441 -5.673 6.188 190 3HG2 VAL 40 3HG2 VAL 40 1.618 -6.735 7.330 191 H ALA 41 H ALA 41 -0.576 -8.763 5.591 192 HA ALA 41 HA ALA 41 -0.090 -9.863 8.239 193 1HB ALA 41 1HB ALA 41 -2.496 -10.019 8.085 194 2HB ALA 41 2HB ALA 41 -1.791 -11.629 7.955 195 3HB ALA 41 3HB ALA 41 -2.376 -10.804 6.511 196 H ASP 42 H ASP 42 1.093 -11.761 8.216 197 HA ASP 42 HA ASP 42 2.594 -12.286 5.846 198 1HB ASP 42 2HB ASP 42 3.712 -14.014 7.195 199 2HB ASP 42 1HB ASP 42 3.610 -12.487 8.065 200 H GLY 43 H GLY 43 2.913 -14.596 5.077 201 1HA GLY 43 2HA GLY 43 0.250 -15.783 4.660 202 2HA GLY 43 1HA GLY 43 1.612 -15.939 3.561 203 H LEU 44 H LEU 44 -0.218 -17.633 5.629 204 HA LEU 44 HA LEU 44 1.945 -19.215 6.770 205 1HB LEU 44 2HB LEU 44 -1.007 -19.073 7.223 206 2HB LEU 44 1HB LEU 44 -0.119 -20.498 7.730 207 HG LEU 44 HG LEU 44 1.264 -18.187 8.690 208 1HD1 LEU 44 1HD1 LEU 44 -0.486 -16.767 8.875 209 2HD1 LEU 44 2HD1 LEU 44 -0.786 -17.708 10.337 210 3HD1 LEU 44 3HD1 LEU 44 -1.683 -18.062 8.860 211 1HD2 LEU 44 1HD2 LEU 44 -0.031 -20.626 9.775 212 2HD2 LEU 44 2HD2 LEU 44 0.341 -19.320 10.901 213 3HD2 LEU 44 3HD2 LEU 44 1.629 -20.051 9.942 214 H LEU 45 H LEU 45 -0.324 -19.289 4.205 215 HA LEU 45 HA LEU 45 -0.115 -22.136 3.773 216 1HB LEU 45 2HB LEU 45 -1.359 -20.007 2.041 217 2HB LEU 45 1HB LEU 45 -1.520 -21.737 1.808 218 HG LEU 45 HG LEU 45 -2.561 -21.746 4.175 219 1HD1 LEU 45 1HD1 LEU 45 -2.540 -18.831 3.498 220 2HD1 LEU 45 2HD1 LEU 45 -2.134 -19.626 5.019 221 3HD1 LEU 45 3HD1 LEU 45 -3.817 -19.519 4.501 222 1HD2 LEU 45 1HD2 LEU 45 -4.208 -20.351 2.098 223 2HD2 LEU 45 2HD2 LEU 45 -4.693 -21.594 3.250 224 3HD2 LEU 45 3HD2 LEU 45 -3.673 -22.018 1.875 225 H GLU 46 H GLU 46 1.104 -19.195 2.358 226 HA GLU 46 HA GLU 46 3.332 -20.614 1.200 227 1HB GLU 46 2HB GLU 46 2.861 -19.495 -1.074 228 2HB GLU 46 1HB GLU 46 1.978 -20.958 -0.663 229 1HG GLU 46 2HG GLU 46 0.038 -19.649 -0.044 230 2HG GLU 46 1HG GLU 46 0.921 -18.155 -0.358 231 H LYS 47 H LYS 47 3.770 -19.011 3.105 232 HA LYS 47 HA LYS 47 4.460 -16.949 3.893 233 1HB LYS 47 2HB LYS 47 6.599 -16.369 2.931 234 2HB LYS 47 1HB LYS 47 6.436 -18.117 2.997 235 1HG LYS 47 2HG LYS 47 7.127 -18.085 0.884 236 2HG LYS 47 1HG LYS 47 5.495 -17.547 0.495 237 1HD LYS 47 2HD LYS 47 6.843 -15.231 1.254 238 2HD LYS 47 1HD LYS 47 8.007 -16.131 0.280 239 1HE LYS 47 2HE LYS 47 5.186 -15.768 -0.656 240 2HE LYS 47 1HE LYS 47 6.380 -14.493 -0.889 241 1HZ LYS 47 1HZ LYS 47 6.552 -15.703 -2.824 242 2HZ LYS 47 2HZ LYS 47 6.305 -17.192 -2.061 243 3HZ LYS 47 3HZ LYS 47 7.786 -16.392 -1.893 244 H GLY 48 H GLY 48 5.619 -14.764 2.702 245 1HA GLY 48 2HA GLY 48 5.199 -12.936 1.277 246 2HA GLY 48 1HA GLY 48 3.706 -13.708 0.765 247 H VAL 49 H VAL 49 3.425 -11.154 1.218 248 HA VAL 49 HA VAL 49 2.043 -11.037 3.809 249 HB VAL 49 HB VAL 49 3.705 -8.793 2.646 250 1HG1 VAL 49 1HG1 VAL 49 1.881 -8.968 5.020 251 2HG1 VAL 49 2HG1 VAL 49 1.943 -7.742 3.753 252 3HG1 VAL 49 3HG1 VAL 49 3.213 -7.813 4.974 253 1HG2 VAL 49 1HG2 VAL 49 5.358 -10.018 3.584 254 2HG2 VAL 49 2HG2 VAL 49 4.257 -10.892 4.648 255 3HG2 VAL 49 3HG2 VAL 49 4.774 -9.258 5.064 256 H TYR 50 H TYR 50 0.023 -10.273 3.709 257 HA TYR 50 HA TYR 50 -0.816 -8.853 1.271 258 1HB TYR 50 2HB TYR 50 -2.882 -10.469 2.625 259 2HB TYR 50 1HB TYR 50 -2.585 -10.233 0.906 260 HD1 TYR 50 1HD TYR 50 -2.958 -12.727 3.070 261 HD2 TYR 50 2HD TYR 50 0.063 -11.252 0.466 262 HE1 TYR 50 1HE TYR 50 -1.981 -14.977 2.943 263 HE2 TYR 50 2HE TYR 50 1.050 -13.499 0.328 264 HH TYR 50 HH TYR 50 0.018 -16.092 2.387 265 H VAL 51 H VAL 51 -3.299 -8.109 1.839 266 HA VAL 51 HA VAL 51 -2.925 -6.313 4.114 267 HB VAL 51 HB VAL 51 -5.037 -6.250 1.955 268 1HG1 VAL 51 1HG1 VAL 51 -5.644 -4.108 2.766 269 2HG1 VAL 51 2HG1 VAL 51 -4.276 -4.061 3.875 270 3HG1 VAL 51 3HG1 VAL 51 -5.608 -5.179 4.164 271 1HG2 VAL 51 1HG2 VAL 51 -3.711 -4.287 1.135 272 2HG2 VAL 51 2HG2 VAL 51 -2.917 -5.850 0.945 273 3HG2 VAL 51 3HG2 VAL 51 -2.433 -4.768 2.250 274 H LYS 52 H LYS 52 -3.867 -6.701 5.993 275 HA LYS 52 HA LYS 52 -5.899 -8.759 6.187 276 1HB LYS 52 2HB LYS 52 -5.572 -8.550 8.615 277 2HB LYS 52 1HB LYS 52 -4.057 -8.827 7.768 278 1HG LYS 52 2HG LYS 52 -3.183 -6.946 8.551 279 2HG LYS 52 1HG LYS 52 -4.590 -6.007 8.051 280 1HD LYS 52 2HD LYS 52 -4.197 -5.902 10.485 281 2HD LYS 52 1HD LYS 52 -5.761 -6.612 10.082 282 1HE LYS 52 2HE LYS 52 -4.413 -7.766 11.900 283 2HE LYS 52 1HE LYS 52 -5.025 -8.786 10.598 284 1HZ LYS 52 1HZ LYS 52 -2.365 -7.669 10.220 285 2HZ LYS 52 2HZ LYS 52 -2.959 -9.204 9.837 286 3HZ LYS 52 3HZ LYS 52 -2.511 -8.845 11.427 287 H ASN 53 H ASN 53 -5.603 -5.323 6.464 288 HA ASN 53 HA ASN 53 -8.478 -5.048 6.485 289 1HB ASN 53 2HB ASN 53 -6.857 -4.607 8.916 290 2HB ASN 53 1HB ASN 53 -8.017 -3.337 8.538 291 1HD2 ASN 53 1HD2 ASN 53 -7.605 -6.708 9.325 292 2HD2 ASN 53 2HD2 ASN 53 -9.247 -7.001 9.795 293 H ILE 54 H ILE 54 -9.206 -2.916 6.051 294 HA ILE 54 HA ILE 54 -7.156 -0.962 5.296 295 HB ILE 54 HB ILE 54 -9.411 -1.889 3.516 296 1HG1 ILE 54 2HG1 ILE 54 -6.749 -2.794 3.813 297 2HG1 ILE 54 1HG1 ILE 54 -7.914 -3.256 2.577 298 1HG2 ILE 54 1HG2 ILE 54 -7.484 0.404 3.175 299 2HG2 ILE 54 2HG2 ILE 54 -9.241 0.489 3.301 300 3HG2 ILE 54 3HG2 ILE 54 -8.494 -0.242 1.881 301 1HD1 ILE 54 1HD1 ILE 54 -7.074 -1.662 1.059 302 2HD1 ILE 54 2HD1 ILE 54 -5.667 -2.453 1.768 303 3HD1 ILE 54 3HD1 ILE 54 -6.141 -0.845 2.312 304 H ARG 55 H ARG 55 -7.734 1.140 5.637 305 HA ARG 55 HA ARG 55 -9.903 1.685 7.361 306 1HB ARG 55 2HB ARG 55 -7.614 2.962 6.860 307 2HB ARG 55 1HB ARG 55 -8.665 3.900 5.809 308 1HG ARG 55 2HG ARG 55 -9.605 3.437 8.574 309 2HG ARG 55 1HG ARG 55 -8.236 4.529 8.356 310 1HD ARG 55 2HD ARG 55 -9.863 5.438 6.421 311 2HD ARG 55 1HD ARG 55 -11.064 4.842 7.566 312 HE ARG 55 HE ARG 55 -9.518 7.197 7.819 313 1HH1 ARG 55 1HH1 ARG 55 -10.811 4.560 9.705 314 2HH1 ARG 55 2HH1 ARG 55 -10.892 5.481 11.169 315 1HH2 ARG 55 1HH2 ARG 55 -9.619 8.409 9.746 316 2HH2 ARG 55 2HH2 ARG 55 -10.215 7.665 11.193 317 HA PRO 56 HA PRO 56 -13.105 2.169 4.305 318 1HB PRO 56 2HB PRO 56 -15.008 3.254 5.886 319 2HB PRO 56 1HB PRO 56 -14.555 1.549 5.985 320 1HG PRO 56 2HG PRO 56 -13.708 3.837 7.721 321 2HG PRO 56 1HG PRO 56 -14.199 2.198 8.191 322 1HD PRO 56 2HD PRO 56 -11.599 2.973 8.033 323 2HD PRO 56 1HD PRO 56 -12.131 1.308 7.718 324 H ALA 57 H ALA 57 -12.271 3.730 2.929 325 HA ALA 57 HA ALA 57 -12.488 5.723 1.808 326 1HB ALA 57 1HB ALA 57 -14.065 7.222 2.386 327 2HB ALA 57 2HB ALA 57 -13.515 7.316 4.059 328 3HB ALA 57 3HB ALA 57 -14.544 5.980 3.543 329 H GLY 58 H GLY 58 -10.269 4.826 3.509 330 1HA GLY 58 2HA GLY 58 -9.117 7.420 4.303 331 2HA GLY 58 1HA GLY 58 -8.576 5.853 4.886 332 HA PRO 59 HA PRO 59 -5.485 7.358 1.726 333 1HB PRO 59 2HB PRO 59 -3.918 5.435 3.380 334 2HB PRO 59 1HB PRO 59 -3.455 7.025 2.763 335 1HG PRO 59 2HG PRO 59 -4.083 6.701 5.327 336 2HG PRO 59 1HG PRO 59 -4.589 8.154 4.444 337 1HD PRO 59 2HD PRO 59 -6.196 5.773 5.257 338 2HD PRO 59 1HD PRO 59 -6.669 7.483 5.178 339 H GLY 60 H GLY 60 -5.595 4.041 3.059 340 1HA GLY 60 2HA GLY 60 -4.698 2.718 0.775 341 2HA GLY 60 1HA GLY 60 -5.702 1.996 2.023 342 H ASP 61 H ASP 61 -7.980 3.662 1.684 343 HA ASP 61 HA ASP 61 -9.215 2.318 -0.513 344 1HB ASP 61 2HB ASP 61 -10.067 3.819 1.796 345 2HB ASP 61 1HB ASP 61 -10.908 4.400 0.363 346 H LEU 62 H LEU 62 -7.913 5.499 0.089 347 HA LEU 62 HA LEU 62 -9.011 6.708 -2.246 348 1HB LEU 62 2HB LEU 62 -6.806 7.496 -0.357 349 2HB LEU 62 1HB LEU 62 -7.214 8.460 -1.764 350 HG LEU 62 HG LEU 62 -9.265 7.759 0.322 351 1HD1 LEU 62 1HD1 LEU 62 -8.031 10.438 0.359 352 2HD1 LEU 62 2HD1 LEU 62 -7.059 9.117 1.008 353 3HD1 LEU 62 3HD1 LEU 62 -8.653 9.453 1.682 354 1HD2 LEU 62 1HD2 LEU 62 -9.987 10.131 -0.667 355 2HD2 LEU 62 2HD2 LEU 62 -10.474 8.601 -1.399 356 3HD2 LEU 62 3HD2 LEU 62 -9.110 9.503 -2.063 357 H GLY 63 H GLY 63 -6.099 4.940 -1.485 358 1HA GLY 63 2HA GLY 63 -4.655 5.657 -3.841 359 2HA GLY 63 1HA GLY 63 -4.294 4.311 -2.770 360 H GLY 64 H GLY 64 -6.323 2.633 -2.922 361 1HA GLY 64 2HA GLY 64 -7.862 1.946 -4.886 362 2HA GLY 64 1HA GLY 64 -6.346 1.900 -5.770 363 H LEU 65 H LEU 65 -5.270 0.936 -2.938 364 HA LEU 65 HA LEU 65 -5.402 -1.846 -3.663 365 1HB LEU 65 2HB LEU 65 -3.959 -2.164 -1.640 366 2HB LEU 65 1HB LEU 65 -3.300 -1.104 -2.869 367 HG LEU 65 HG LEU 65 -4.415 0.762 -1.329 368 1HD1 LEU 65 1HD1 LEU 65 -4.392 -1.668 0.306 369 2HD1 LEU 65 2HD1 LEU 65 -5.313 -0.176 0.495 370 3HD1 LEU 65 3HD1 LEU 65 -3.645 -0.261 1.063 371 1HD2 LEU 65 1HD2 LEU 65 -1.806 -0.362 -1.665 372 2HD2 LEU 65 2HD2 LEU 65 -2.012 0.155 0.009 373 3HD2 LEU 65 3HD2 LEU 65 -2.264 1.303 -1.308 374 H LYS 66 H LYS 66 -6.546 -3.435 -2.737 375 HA LYS 66 HA LYS 66 -8.279 -2.721 -0.460 376 1HB LYS 66 2HB LYS 66 -9.928 -4.330 -1.405 377 2HB LYS 66 1HB LYS 66 -9.631 -2.947 -2.446 378 1HG LYS 66 2HG LYS 66 -8.574 -4.198 -4.040 379 2HG LYS 66 1HG LYS 66 -8.052 -5.427 -2.885 380 1HD LYS 66 2HD LYS 66 -10.940 -5.017 -3.622 381 2HD LYS 66 1HD LYS 66 -9.877 -6.101 -4.521 382 1HE LYS 66 2HE LYS 66 -9.612 -7.541 -2.708 383 2HE LYS 66 1HE LYS 66 -10.149 -6.327 -1.546 384 1HZ LYS 66 1HZ LYS 66 -12.303 -6.806 -1.911 385 2HZ LYS 66 2HZ LYS 66 -11.696 -8.297 -2.429 386 3HZ LYS 66 3HZ LYS 66 -12.090 -7.105 -3.563 387 HA PRO 67 HA PRO 67 -7.014 -6.095 2.080 388 1HB PRO 67 2HB PRO 67 -9.586 -7.484 1.423 389 2HB PRO 67 1HB PRO 67 -8.806 -7.251 2.994 390 1HG PRO 67 2HG PRO 67 -10.858 -5.722 2.282 391 2HG PRO 67 1HG PRO 67 -9.470 -5.026 3.140 392 1HD PRO 67 2HD PRO 67 -10.244 -4.785 0.281 393 2HD PRO 67 1HD PRO 67 -9.396 -3.626 1.321 394 H TYR 68 H TYR 68 -5.934 -8.013 1.904 395 HA TYR 68 HA TYR 68 -5.155 -9.977 1.041 396 1HB TYR 68 2HB TYR 68 -7.543 -9.618 -0.619 397 2HB TYR 68 1HB TYR 68 -6.238 -10.464 -1.436 398 HD1 TYR 68 1HD TYR 68 -8.183 -10.477 1.740 399 HD2 TYR 68 2HD TYR 68 -5.960 -12.745 -1.089 400 HE1 TYR 68 1HE TYR 68 -8.807 -12.542 2.916 401 HE2 TYR 68 2HE TYR 68 -6.578 -14.818 0.078 402 HH TYR 68 HH TYR 68 -9.023 -15.111 2.138 403 H ASP 69 H ASP 69 -5.051 -6.968 -0.413 404 HA ASP 69 HA ASP 69 -3.606 -7.326 -2.743 405 1HB ASP 69 2HB ASP 69 -3.798 -5.122 -0.734 406 2HB ASP 69 1HB ASP 69 -2.554 -5.029 -1.978 407 H ARG 70 H ARG 70 -2.169 -9.025 -2.480 408 HA ARG 70 HA ARG 70 -0.181 -9.146 -0.479 409 1HB ARG 70 2HB ARG 70 -0.878 -11.127 -1.632 410 2HB ARG 70 1HB ARG 70 -0.424 -10.444 -3.186 411 1HG ARG 70 2HG ARG 70 1.964 -10.355 -2.162 412 2HG ARG 70 1HG ARG 70 1.320 -11.531 -1.017 413 1HD ARG 70 2HD ARG 70 1.509 -11.779 -4.011 414 2HD ARG 70 1HD ARG 70 2.342 -12.745 -2.794 415 HE ARG 70 HE ARG 70 -0.524 -12.901 -2.629 416 1HH1 ARG 70 1HH1 ARG 70 2.326 -14.209 -4.161 417 2HH1 ARG 70 2HH1 ARG 70 1.586 -15.733 -4.521 418 1HH2 ARG 70 1HH2 ARG 70 -1.498 -14.904 -3.101 419 2HH2 ARG 70 2HH2 ARG 70 -0.585 -16.129 -3.919 420 H LEU 71 H LEU 71 1.133 -7.410 -0.275 421 HA LEU 71 HA LEU 71 2.089 -5.758 -2.296 422 1HB LEU 71 2HB LEU 71 3.138 -6.427 0.437 423 2HB LEU 71 1HB LEU 71 3.983 -5.302 -0.610 424 HG LEU 71 HG LEU 71 1.476 -4.263 -0.685 425 1HD1 LEU 71 1HD1 LEU 71 1.798 -5.713 1.908 426 2HD1 LEU 71 2HD1 LEU 71 0.381 -5.584 0.864 427 3HD1 LEU 71 3HD1 LEU 71 0.891 -4.203 1.833 428 1HD2 LEU 71 1HD2 LEU 71 3.400 -3.590 1.521 429 2HD2 LEU 71 2HD2 LEU 71 2.328 -2.512 0.627 430 3HD2 LEU 71 3HD2 LEU 71 3.737 -3.214 -0.169 431 H LEU 72 H LEU 72 3.145 -6.453 -4.040 432 HA LEU 72 HA LEU 72 4.971 -8.683 -3.905 433 1HB LEU 72 2HB LEU 72 4.427 -6.881 -6.257 434 2HB LEU 72 1HB LEU 72 5.141 -8.483 -6.290 435 HG LEU 72 HG LEU 72 2.274 -7.784 -5.664 436 1HD1 LEU 72 1HD1 LEU 72 2.987 -9.753 -7.732 437 2HD1 LEU 72 2HD1 LEU 72 3.440 -8.082 -8.078 438 3HD1 LEU 72 3HD1 LEU 72 1.757 -8.488 -7.736 439 1HD2 LEU 72 1HD2 LEU 72 1.845 -10.053 -5.190 440 2HD2 LEU 72 2HD2 LEU 72 3.264 -9.631 -4.232 441 3HD2 LEU 72 3HD2 LEU 72 3.450 -10.551 -5.725 442 H GLN 73 H GLN 73 5.271 -5.279 -4.954 443 HA GLN 73 HA GLN 73 8.010 -5.295 -3.918 444 1HB GLN 73 2HB GLN 73 8.829 -4.151 -5.942 445 2HB GLN 73 1HB GLN 73 8.243 -5.774 -6.281 446 1HG GLN 73 2HG GLN 73 6.355 -5.003 -7.381 447 2HG GLN 73 1HG GLN 73 6.447 -3.411 -6.630 448 1HE2 GLN 73 1HE2 GLN 73 8.643 -5.467 -8.520 449 2HE2 GLN 73 2HE2 GLN 73 9.082 -4.239 -9.663 450 H VAL 74 H VAL 74 8.645 -3.443 -2.969 451 HA VAL 74 HA VAL 74 6.712 -1.222 -2.959 452 HB VAL 74 HB VAL 74 8.875 -1.783 -0.925 453 1HG1 VAL 74 1HG1 VAL 74 6.827 0.324 -1.273 454 2HG1 VAL 74 2HG1 VAL 74 8.432 0.408 -0.545 455 3HG1 VAL 74 3HG1 VAL 74 7.086 -0.276 0.366 456 1HG2 VAL 74 1HG2 VAL 74 6.684 -3.345 -1.284 457 2HG2 VAL 74 2HG2 VAL 74 6.067 -2.146 -0.148 458 3HG2 VAL 74 3HG2 VAL 74 7.492 -3.099 0.265 459 H ASN 75 H ASN 75 7.301 0.331 -4.328 460 HA ASN 75 HA ASN 75 8.508 2.013 -5.263 461 1HB ASN 75 2HB ASN 75 10.484 1.212 -3.140 462 2HB ASN 75 1HB ASN 75 10.881 2.426 -4.348 463 1HD2 ASN 75 1HD2 ASN 75 8.153 1.623 -2.219 464 2HD2 ASN 75 2HD2 ASN 75 7.894 3.245 -1.664 465 H HIS 76 H HIS 76 10.742 -0.665 -4.592 466 HA HIS 76 HA HIS 76 10.921 -1.409 -7.328 467 1HB HIS 76 2HB HIS 76 12.534 0.745 -6.643 468 2HB HIS 76 1HB HIS 76 13.625 -0.634 -6.580 469 HD1 HIS 76 1HD HIS 76 12.672 -2.285 -8.935 470 HD2 HIS 76 2HD HIS 76 13.055 1.850 -9.061 471 HE1 HIS 76 1HE HIS 76 12.922 -1.707 -11.370 472 HE2 HIS 76 2HE HIS 76 13.221 0.795 -11.416 473 H VAL 77 H VAL 77 11.558 -1.864 -4.031 474 HA VAL 77 HA VAL 77 13.384 -4.082 -4.373 475 HB VAL 77 HB VAL 77 13.562 -2.640 -2.392 476 1HG1 VAL 77 1HG1 VAL 77 11.842 -3.018 -0.560 477 2HG1 VAL 77 2HG1 VAL 77 10.797 -3.661 -1.826 478 3HG1 VAL 77 3HG1 VAL 77 11.359 -1.993 -1.910 479 1HG2 VAL 77 1HG2 VAL 77 14.308 -4.332 -1.109 480 2HG2 VAL 77 2HG2 VAL 77 13.872 -5.325 -2.500 481 3HG2 VAL 77 3HG2 VAL 77 12.761 -5.177 -1.139 482 H ARG 78 H ARG 78 12.892 -6.191 -4.448 483 HA ARG 78 HA ARG 78 10.188 -6.991 -4.873 484 1HB ARG 78 2HB ARG 78 12.602 -8.758 -4.445 485 2HB ARG 78 1HB ARG 78 11.084 -9.214 -5.207 486 1HG ARG 78 2HG ARG 78 12.525 -6.935 -6.410 487 2HG ARG 78 1HG ARG 78 13.270 -8.526 -6.579 488 1HD ARG 78 2HD ARG 78 11.099 -9.374 -7.459 489 2HD ARG 78 1HD ARG 78 10.492 -7.719 -7.426 490 HE ARG 78 HE ARG 78 12.291 -8.869 -9.347 491 1HH1 ARG 78 1HH1 ARG 78 11.216 -5.903 -7.857 492 2HH1 ARG 78 2HH1 ARG 78 11.714 -4.909 -9.185 493 1HH2 ARG 78 1HH2 ARG 78 12.947 -7.563 -11.094 494 2HH2 ARG 78 2HH2 ARG 78 12.696 -5.852 -11.023 495 H THR 79 H THR 79 9.052 -6.542 -2.977 496 HA THR 79 HA THR 79 9.870 -7.924 -0.537 497 HB THR 79 HB THR 79 8.217 -6.574 0.601 498 HG1 THR 79 1HG THR 79 6.566 -6.471 -0.861 499 1HG2 THR 79 1HG2 THR 79 10.400 -5.471 -0.733 500 2HG2 THR 79 2HG2 THR 79 9.522 -4.794 0.639 501 3HG2 THR 79 3HG2 THR 79 9.063 -4.354 -1.007 502 H ARG 80 H ARG 80 8.630 -9.204 -3.008 503 HA ARG 80 HA ARG 80 6.016 -10.054 -2.259 504 1HB ARG 80 2HB ARG 80 7.602 -10.242 -4.541 505 2HB ARG 80 1HB ARG 80 7.417 -11.907 -4.009 506 1HG ARG 80 2HG ARG 80 4.873 -10.726 -3.818 507 2HG ARG 80 1HG ARG 80 5.550 -10.219 -5.367 508 1HD ARG 80 2HD ARG 80 5.487 -13.078 -4.414 509 2HD ARG 80 1HD ARG 80 4.241 -12.356 -5.427 510 HE ARG 80 HE ARG 80 5.799 -12.201 -7.196 511 1HH1 ARG 80 1HH1 ARG 80 7.109 -13.823 -4.387 512 2HH1 ARG 80 2HH1 ARG 80 8.407 -14.551 -5.267 513 1HH2 ARG 80 1HH2 ARG 80 7.507 -13.161 -8.342 514 2HH2 ARG 80 2HH2 ARG 80 8.634 -14.177 -7.507 515 H ASP 81 H ASP 81 9.248 -11.456 -1.963 516 HA ASP 81 HA ASP 81 8.181 -13.752 -0.517 517 1HB ASP 81 2HB ASP 81 10.776 -13.070 -1.801 518 2HB ASP 81 1HB ASP 81 10.824 -14.168 -0.426 519 H PHE 82 H PHE 82 8.441 -10.807 0.452 520 HA PHE 82 HA PHE 82 10.218 -11.032 2.710 521 1HB PHE 82 2HB PHE 82 8.444 -8.921 1.571 522 2HB PHE 82 1HB PHE 82 8.882 -8.798 3.271 523 HD1 PHE 82 1HD PHE 82 11.049 -10.153 0.605 524 HD2 PHE 82 2HD PHE 82 10.210 -6.858 3.162 525 HE1 PHE 82 1HE PHE 82 13.191 -9.121 -0.030 526 HE2 PHE 82 2HE PHE 82 12.349 -5.820 2.535 527 HZ PHE 82 HZ PHE 82 13.844 -6.951 0.936 528 H ASP 83 H ASP 83 9.279 -10.318 4.903 529 HA ASP 83 HA ASP 83 6.855 -11.912 5.417 530 1HB ASP 83 2HB ASP 83 9.143 -12.574 6.453 531 2HB ASP 83 1HB ASP 83 8.882 -11.202 7.524 532 H CYS 84 H CYS 84 5.528 -11.148 7.273 533 HA CYS 84 HA CYS 84 4.608 -8.572 6.918 534 1HB CYS 84 2HB CYS 84 3.512 -8.842 9.155 535 2HB CYS 84 1HB CYS 84 3.245 -10.190 8.056 536 HG CYS 84 HG CYS 84 4.119 -10.634 10.724 537 H CYS 85 H CYS 85 6.955 -9.748 9.297 538 HA CYS 85 HA CYS 85 7.284 -7.356 10.693 539 1HB CYS 85 2HB CYS 85 8.795 -9.881 10.415 540 2HB CYS 85 1HB CYS 85 9.716 -8.493 10.982 541 HG CYS 85 HG CYS 85 7.878 -8.328 12.944 542 H LEU 86 H LEU 86 8.396 -8.318 7.578 543 HA LEU 86 HA LEU 86 10.413 -6.203 7.496 544 1HB LEU 86 2HB LEU 86 9.777 -8.583 5.821 545 2HB LEU 86 1HB LEU 86 10.579 -7.226 5.055 546 HG LEU 86 HG LEU 86 12.408 -7.386 6.703 547 1HD1 LEU 86 1HD1 LEU 86 10.611 -9.458 7.829 548 2HD1 LEU 86 2HD1 LEU 86 11.680 -8.316 8.644 549 3HD1 LEU 86 3HD1 LEU 86 12.348 -9.761 7.886 550 1HD2 LEU 86 1HD2 LEU 86 13.415 -9.401 5.814 551 2HD2 LEU 86 2HD2 LEU 86 12.538 -8.554 4.541 552 3HD2 LEU 86 3HD2 LEU 86 11.838 -9.990 5.289 553 H VAL 87 H VAL 87 7.260 -7.020 6.238 554 HA VAL 87 HA VAL 87 7.227 -4.906 4.293 555 HB VAL 87 HB VAL 87 4.930 -6.556 5.361 556 1HG1 VAL 87 1HG1 VAL 87 5.136 -4.416 3.342 557 2HG1 VAL 87 2HG1 VAL 87 3.760 -4.931 4.317 558 3HG1 VAL 87 3HG1 VAL 87 4.203 -5.835 2.870 559 1HG2 VAL 87 1HG2 VAL 87 6.263 -8.142 4.356 560 2HG2 VAL 87 2HG2 VAL 87 6.928 -7.001 3.189 561 3HG2 VAL 87 3HG2 VAL 87 5.285 -7.609 2.989 562 H VAL 88 H VAL 88 6.059 -5.360 7.597 563 HA VAL 88 HA VAL 88 4.398 -3.121 7.742 564 HB VAL 88 HB VAL 88 6.047 -4.288 9.990 565 1HG1 VAL 88 1HG1 VAL 88 3.496 -3.158 10.724 566 2HG1 VAL 88 2HG1 VAL 88 4.526 -1.956 9.949 567 3HG1 VAL 88 3HG1 VAL 88 5.103 -2.825 11.371 568 1HG2 VAL 88 1HG2 VAL 88 3.195 -4.917 9.849 569 2HG2 VAL 88 2HG2 VAL 88 4.574 -5.966 10.182 570 3HG2 VAL 88 3HG2 VAL 88 4.141 -5.580 8.517 571 HA PRO 89 HA PRO 89 8.260 -0.597 9.219 572 1HB PRO 89 2HB PRO 89 10.560 -2.119 8.219 573 2HB PRO 89 1HB PRO 89 10.270 -1.465 9.833 574 1HG PRO 89 2HG PRO 89 10.215 -4.111 9.332 575 2HG PRO 89 1HG PRO 89 9.166 -3.356 10.547 576 1HD PRO 89 2HD PRO 89 8.512 -4.206 7.750 577 2HD PRO 89 1HD PRO 89 7.565 -4.413 9.234 578 H LEU 90 H LEU 90 8.900 -2.551 6.298 579 HA LEU 90 HA LEU 90 10.112 -0.597 4.756 580 1HB LEU 90 2HB LEU 90 8.480 -3.016 4.114 581 2HB LEU 90 1HB LEU 90 8.933 -1.924 2.819 582 HG LEU 90 HG LEU 90 11.003 -3.065 4.672 583 1HD1 LEU 90 1HD1 LEU 90 10.853 -4.431 2.139 584 2HD1 LEU 90 2HD1 LEU 90 9.357 -4.625 3.051 585 3HD1 LEU 90 3HD1 LEU 90 10.896 -5.091 3.773 586 1HD2 LEU 90 1HD2 LEU 90 11.083 -2.026 1.842 587 2HD2 LEU 90 2HD2 LEU 90 12.460 -2.672 2.734 588 3HD2 LEU 90 3HD2 LEU 90 11.671 -1.191 3.280 589 H ILE 91 H ILE 91 6.763 -1.058 5.568 590 HA ILE 91 HA ILE 91 5.743 0.742 3.573 591 HB ILE 91 HB ILE 91 4.479 -0.511 6.012 592 1HG1 ILE 91 2HG1 ILE 91 3.722 -0.982 3.143 593 2HG1 ILE 91 1HG1 ILE 91 5.099 -1.826 3.852 594 1HG2 ILE 91 1HG2 ILE 91 2.847 0.992 5.922 595 2HG2 ILE 91 2HG2 ILE 91 2.461 0.426 4.299 596 3HG2 ILE 91 3HG2 ILE 91 3.579 1.770 4.521 597 1HD1 ILE 91 1HD1 ILE 91 3.683 -2.842 5.503 598 2HD1 ILE 91 2HD1 ILE 91 3.009 -3.128 3.900 599 3HD1 ILE 91 3HD1 ILE 91 2.299 -1.901 4.948 600 H ALA 92 H ALA 92 6.196 0.888 7.101 601 HA ALA 92 HA ALA 92 5.407 3.598 7.306 602 1HB ALA 92 1HB ALA 92 7.136 2.494 9.417 603 2HB ALA 92 2HB ALA 92 5.647 1.608 9.090 604 3HB ALA 92 3HB ALA 92 5.579 3.314 9.535 605 H GLU 93 H GLU 93 8.148 2.300 5.967 606 HA GLU 93 HA GLU 93 9.852 4.531 6.814 607 1HB GLU 93 2HB GLU 93 10.373 1.773 5.873 608 2HB GLU 93 1HB GLU 93 11.521 3.002 5.357 609 1HG GLU 93 2HG GLU 93 11.020 3.354 8.130 610 2HG GLU 93 1HG GLU 93 11.369 1.651 7.837 611 H SER 94 H SER 94 7.839 3.629 4.294 612 HA SER 94 HA SER 94 9.276 4.551 2.056 613 1HB SER 94 2HB SER 94 7.083 3.172 2.150 614 2HB SER 94 1HB SER 94 6.285 4.742 2.249 615 HG SER 94 HG SER 94 8.119 4.002 0.213 616 H GLY 95 H GLY 95 7.884 6.232 4.647 617 1HA GLY 95 2HA GLY 95 8.266 8.532 5.037 618 2HA GLY 95 1HA GLY 95 8.462 8.767 3.307 619 H ASN 96 H ASN 96 7.025 10.429 3.066 620 HA ASN 96 HA ASN 96 4.396 10.372 4.177 621 1HB ASN 96 2HB ASN 96 5.984 12.199 2.494 622 2HB ASN 96 1HB ASN 96 4.246 12.257 2.216 623 1HD2 ASN 96 1HD2 ASN 96 6.377 11.932 5.041 624 2HD2 ASN 96 2HD2 ASN 96 5.611 13.180 5.971 625 H LYS 97 H LYS 97 5.758 8.800 1.531 626 HA LYS 97 HA LYS 97 3.086 8.215 0.476 627 1HB LYS 97 2HB LYS 97 5.480 9.119 -1.112 628 2HB LYS 97 1HB LYS 97 4.179 8.193 -1.848 629 1HG LYS 97 2HG LYS 97 2.672 9.912 -1.684 630 2HG LYS 97 1HG LYS 97 3.503 10.652 -0.313 631 1HD LYS 97 2HD LYS 97 3.881 12.078 -2.165 632 2HD LYS 97 1HD LYS 97 5.387 11.192 -1.910 633 1HE LYS 97 2HE LYS 97 5.126 9.930 -3.813 634 2HE LYS 97 1HE LYS 97 3.370 10.081 -3.798 635 1HZ LYS 97 1HZ LYS 97 3.535 11.745 -5.226 636 2HZ LYS 97 2HZ LYS 97 5.218 11.591 -5.248 637 3HZ LYS 97 3HZ LYS 97 4.480 12.633 -4.139 638 H LEU 98 H LEU 98 2.942 6.187 -0.663 639 HA LEU 98 HA LEU 98 5.219 4.381 -0.312 640 1HB LEU 98 2HB LEU 98 3.196 4.369 1.501 641 2HB LEU 98 1HB LEU 98 2.592 3.208 0.339 642 HG LEU 98 HG LEU 98 4.985 3.029 2.123 643 1HD1 LEU 98 1HD1 LEU 98 2.894 1.020 1.303 644 2HD1 LEU 98 2HD1 LEU 98 2.799 2.044 2.736 645 3HD1 LEU 98 3HD1 LEU 98 4.087 0.849 2.588 646 1HD2 LEU 98 1HD2 LEU 98 4.757 1.933 -0.631 647 2HD2 LEU 98 2HD2 LEU 98 5.434 0.893 0.622 648 3HD2 LEU 98 3HD2 LEU 98 6.183 2.449 0.269 649 H ASP 99 H ASP 99 5.573 4.129 -2.472 650 HA ASP 99 HA ASP 99 3.334 3.338 -4.185 651 1HB ASP 99 2HB ASP 99 4.995 5.110 -4.911 652 2HB ASP 99 1HB ASP 99 6.201 3.830 -5.012 653 H LEU 100 H LEU 100 2.924 1.239 -4.443 654 HA LEU 100 HA LEU 100 5.134 -0.644 -4.690 655 1HB LEU 100 2HB LEU 100 3.981 -2.193 -3.047 656 2HB LEU 100 1HB LEU 100 4.847 -0.826 -2.374 657 HG LEU 100 HG LEU 100 2.384 0.253 -2.570 658 1HD1 LEU 100 1HD1 LEU 100 1.725 -2.509 -1.659 659 2HD1 LEU 100 2HD1 LEU 100 1.679 -2.128 -3.380 660 3HD1 LEU 100 3HD1 LEU 100 0.661 -1.233 -2.250 661 1HD2 LEU 100 1HD2 LEU 100 2.143 -0.685 -0.131 662 2HD2 LEU 100 2HD2 LEU 100 3.406 0.479 -0.533 663 3HD2 LEU 100 3HD2 LEU 100 3.793 -1.237 -0.411 664 H VAL 101 H VAL 101 4.411 -2.823 -5.306 665 HA VAL 101 HA VAL 101 1.954 -2.726 -6.937 666 HB VAL 101 HB VAL 101 4.368 -4.495 -7.366 667 1HG1 VAL 101 1HG1 VAL 101 3.284 -5.437 -9.103 668 2HG1 VAL 101 2HG1 VAL 101 2.475 -3.934 -9.549 669 3HG1 VAL 101 3HG1 VAL 101 1.844 -4.916 -8.227 670 1HG2 VAL 101 1HG2 VAL 101 5.319 -2.559 -8.037 671 2HG2 VAL 101 2HG2 VAL 101 3.769 -1.747 -8.254 672 3HG2 VAL 101 3HG2 VAL 101 4.369 -2.848 -9.495 673 H ILE 102 H ILE 102 0.377 -3.756 -5.869 674 HA ILE 102 HA ILE 102 1.043 -6.116 -4.248 675 HB ILE 102 HB ILE 102 -1.208 -5.881 -3.298 676 1HG1 ILE 102 2HG1 ILE 102 -2.341 -3.594 -3.899 677 2HG1 ILE 102 1HG1 ILE 102 -1.412 -3.737 -5.388 678 1HG2 ILE 102 1HG2 ILE 102 -0.204 -4.592 -1.799 679 2HG2 ILE 102 2HG2 ILE 102 -0.580 -3.176 -2.780 680 3HG2 ILE 102 3HG2 ILE 102 0.945 -4.030 -3.012 681 1HD1 ILE 102 1HD1 ILE 102 -2.640 -5.495 -6.150 682 2HD1 ILE 102 2HD1 ILE 102 -3.867 -4.657 -5.201 683 3HD1 ILE 102 3HD1 ILE 102 -3.042 -6.064 -4.530 684 H SER 103 H SER 103 -0.674 -7.872 -4.268 685 HA SER 103 HA SER 103 -1.957 -8.217 -6.869 686 1HB SER 103 2HB SER 103 -0.743 -10.009 -7.556 687 2HB SER 103 1HB SER 103 0.488 -9.365 -6.471 688 HG SER 103 HG SER 103 0.061 -10.905 -5.041 689 H ARG 104 H ARG 104 -3.942 -9.073 -6.672 690 HA ARG 104 HA ARG 104 -4.560 -10.690 -4.305 691 1HB ARG 104 2HB ARG 104 -6.708 -9.413 -4.047 692 2HB ARG 104 1HB ARG 104 -5.256 -8.513 -3.628 693 1HG ARG 104 2HG ARG 104 -5.338 -7.279 -5.657 694 2HG ARG 104 1HG ARG 104 -6.613 -8.312 -6.304 695 1HD ARG 104 2HD ARG 104 -8.237 -7.291 -5.098 696 2HD ARG 104 1HD ARG 104 -7.172 -6.980 -3.728 697 HE ARG 104 HE ARG 104 -6.651 -4.938 -4.633 698 1HH1 ARG 104 1HH1 ARG 104 -8.255 -6.881 -7.047 699 2HH1 ARG 104 2HH1 ARG 104 -8.424 -5.573 -8.168 700 1HH2 ARG 104 1HH2 ARG 104 -6.872 -3.215 -6.105 701 2HH2 ARG 104 2HH2 ARG 104 -7.639 -3.490 -7.634 702 H ASN 105 H ASN 105 -5.605 -12.480 -4.836 703 HA ASN 105 HA ASN 105 -6.466 -13.003 -7.488 704 1HB ASN 105 2HB ASN 105 -7.392 -15.124 -6.447 705 2HB ASN 105 1HB ASN 105 -5.666 -14.852 -6.221 706 1HD2 ASN 105 1HD2 ASN 105 -4.878 -14.381 -4.196 707 2HD2 ASN 105 2HD2 ASN 105 -5.823 -14.581 -2.757 708 HA PRO 106 HA PRO 106 -10.562 -11.289 -7.196 709 1HB PRO 106 2HB PRO 106 -11.650 -12.483 -9.380 710 2HB PRO 106 1HB PRO 106 -10.527 -11.120 -9.486 711 1HG PRO 106 2HG PRO 106 -9.990 -14.047 -9.822 712 2HG PRO 106 1HG PRO 106 -9.398 -12.682 -10.786 713 1HD PRO 106 2HD PRO 106 -7.884 -13.883 -8.898 714 2HD PRO 106 1HD PRO 106 -7.755 -12.149 -9.259 Start of MODEL 5 1 1H SER 16 1HT SER 16 -11.762 -17.417 -6.408 2 2H SER 16 2HT SER 16 -12.493 -16.890 -7.868 3 3H SER 16 3HT SER 16 -12.112 -15.754 -6.639 4 HA SER 16 HA SER 16 -10.428 -15.434 -8.077 5 1HB SER 16 2HB SER 16 -9.287 -17.701 -6.445 6 2HB SER 16 1HB SER 16 -8.502 -16.198 -6.933 7 HG SER 16 HG SER 16 -9.934 -15.094 -5.527 8 HA PRO 17 HA PRO 17 -10.897 -19.029 -10.981 9 1HB PRO 17 2HB PRO 17 -11.283 -16.983 -13.024 10 2HB PRO 17 1HB PRO 17 -12.363 -18.292 -12.542 11 1HG PRO 17 2HG PRO 17 -12.904 -15.687 -12.036 12 2HG PRO 17 1HG PRO 17 -13.445 -17.002 -10.978 13 1HD PRO 17 2HD PRO 17 -11.116 -15.145 -10.655 14 2HD PRO 17 1HD PRO 17 -12.278 -15.717 -9.438 15 H THR 18 H THR 18 -8.734 -16.520 -10.511 16 HA THR 18 HA THR 18 -6.750 -17.808 -12.119 17 HB THR 18 HB THR 18 -7.356 -14.904 -12.638 18 HG1 THR 18 1HG THR 18 -8.900 -15.779 -13.796 19 1HG2 THR 18 1HG2 THR 18 -5.614 -16.724 -14.254 20 2HG2 THR 18 2HG2 THR 18 -4.998 -15.679 -12.975 21 3HG2 THR 18 3HG2 THR 18 -5.789 -14.974 -14.385 22 HA PRO 19 HA PRO 19 -4.003 -16.789 -8.823 23 1HB PRO 19 2HB PRO 19 -1.977 -15.745 -10.543 24 2HB PRO 19 1HB PRO 19 -2.048 -17.342 -9.800 25 1HG PRO 19 2HG PRO 19 -2.810 -16.493 -12.530 26 2HG PRO 19 1HG PRO 19 -2.256 -18.075 -11.955 27 1HD PRO 19 2HD PRO 19 -4.812 -17.655 -12.625 28 2HD PRO 19 1HD PRO 19 -4.380 -18.701 -11.258 29 H VAL 20 H VAL 20 -2.748 -14.935 -7.967 30 HA VAL 20 HA VAL 20 -4.208 -12.632 -7.742 31 HB VAL 20 HB VAL 20 -2.190 -11.535 -6.871 32 1HG1 VAL 20 1HG1 VAL 20 -1.911 -14.258 -5.768 33 2HG1 VAL 20 2HG1 VAL 20 -3.537 -13.570 -5.758 34 3HG1 VAL 20 3HG1 VAL 20 -2.215 -12.723 -4.952 35 1HG2 VAL 20 1HG2 VAL 20 -0.868 -13.751 -8.326 36 2HG2 VAL 20 2HG2 VAL 20 -0.169 -13.277 -6.779 37 3HG2 VAL 20 3HG2 VAL 20 -0.342 -12.087 -8.069 38 H GLU 21 H GLU 21 -4.193 -10.598 -8.661 39 HA GLU 21 HA GLU 21 -2.834 -10.401 -11.264 40 1HB GLU 21 2HB GLU 21 -5.225 -10.408 -11.549 41 2HB GLU 21 1HB GLU 21 -5.429 -9.193 -10.295 42 1HG GLU 21 2HG GLU 21 -4.965 -7.495 -11.679 43 2HG GLU 21 1HG GLU 21 -3.704 -8.392 -12.527 44 H LEU 22 H LEU 22 -1.244 -8.964 -11.382 45 HA LEU 22 HA LEU 22 -0.481 -7.316 -9.263 46 1HB LEU 22 2HB LEU 22 0.297 -7.579 -12.119 47 2HB LEU 22 1HB LEU 22 0.836 -6.157 -11.245 48 HG LEU 22 HG LEU 22 1.379 -9.011 -10.441 49 1HD1 LEU 22 1HD1 LEU 22 3.542 -7.135 -11.193 50 2HD1 LEU 22 2HD1 LEU 22 2.546 -7.775 -12.501 51 3HD1 LEU 22 3HD1 LEU 22 3.416 -8.877 -11.432 52 1HD2 LEU 22 1HD2 LEU 22 1.486 -7.959 -8.425 53 2HD2 LEU 22 2HD2 LEU 22 1.830 -6.384 -9.138 54 3HD2 LEU 22 3HD2 LEU 22 3.109 -7.590 -9.008 55 H HIS 23 H HIS 23 -0.692 -5.168 -8.834 56 HA HIS 23 HA HIS 23 -2.086 -3.416 -10.656 57 1HB HIS 23 2HB HIS 23 -4.105 -3.940 -9.767 58 2HB HIS 23 1HB HIS 23 -3.400 -4.650 -8.324 59 HD1 HIS 23 1HD HIS 23 -3.297 -1.040 -9.528 60 HD2 HIS 23 2HD HIS 23 -4.595 -3.314 -6.302 61 HE1 HIS 23 1HE HIS 23 -4.146 0.617 -7.839 62 HE2 HIS 23 2HE HIS 23 -5.007 -0.786 -5.932 63 H LYS 24 H LYS 24 -1.038 -1.555 -10.595 64 HA LYS 24 HA LYS 24 0.901 -0.966 -8.604 65 1HB LYS 24 2HB LYS 24 0.862 -0.247 -11.076 66 2HB LYS 24 1HB LYS 24 -0.215 1.040 -10.549 67 1HG LYS 24 2HG LYS 24 1.629 2.229 -10.191 68 2HG LYS 24 1HG LYS 24 1.867 1.217 -8.766 69 1HD LYS 24 2HD LYS 24 3.311 -0.260 -9.964 70 2HD LYS 24 1HD LYS 24 2.917 0.514 -11.501 71 1HE LYS 24 2HE LYS 24 5.004 1.396 -10.951 72 2HE LYS 24 1HE LYS 24 3.869 2.648 -10.446 73 1HZ LYS 24 1HZ LYS 24 5.717 2.015 -8.841 74 2HZ LYS 24 2HZ LYS 24 4.844 0.595 -8.555 75 3HZ LYS 24 3HZ LYS 24 4.149 2.099 -8.212 76 H VAL 25 H VAL 25 0.649 0.000 -6.701 77 HA VAL 25 HA VAL 25 -1.715 1.708 -6.301 78 HB VAL 25 HB VAL 25 -0.883 0.593 -3.801 79 1HG1 VAL 25 1HG1 VAL 25 -3.308 0.974 -5.378 80 2HG1 VAL 25 2HG1 VAL 25 -3.040 1.146 -3.642 81 3HG1 VAL 25 3HG1 VAL 25 -3.357 -0.446 -4.334 82 1HG2 VAL 25 1HG2 VAL 25 -0.028 -1.273 -5.205 83 2HG2 VAL 25 2HG2 VAL 25 -1.665 -1.507 -5.818 84 3HG2 VAL 25 3HG2 VAL 25 -1.322 -1.748 -4.105 85 H THR 26 H THR 26 -1.431 3.571 -5.193 86 HA THR 26 HA THR 26 1.210 4.119 -4.035 87 HB THR 26 HB THR 26 -0.305 5.937 -5.925 88 HG1 THR 26 1HG THR 26 0.843 4.343 -7.017 89 1HG2 THR 26 1HG2 THR 26 1.943 6.461 -4.090 90 2HG2 THR 26 2HG2 THR 26 0.712 7.552 -4.729 91 3HG2 THR 26 3HG2 THR 26 2.090 7.094 -5.729 92 H LEU 27 H LEU 27 0.924 4.672 -1.972 93 HA LEU 27 HA LEU 27 -1.556 6.080 -1.236 94 1HB LEU 27 2HB LEU 27 0.140 4.253 0.464 95 2HB LEU 27 1HB LEU 27 -1.314 5.080 0.992 96 HG LEU 27 HG LEU 27 -2.146 3.676 -1.251 97 1HD1 LEU 27 1HD1 LEU 27 -0.473 2.181 -1.573 98 2HD1 LEU 27 2HD1 LEU 27 -1.355 1.313 -0.317 99 3HD1 LEU 27 3HD1 LEU 27 0.073 2.260 0.104 100 1HD2 LEU 27 1HD2 LEU 27 -3.711 3.030 0.195 101 2HD2 LEU 27 2HD2 LEU 27 -2.819 3.920 1.428 102 3HD2 LEU 27 3HD2 LEU 27 -2.536 2.194 1.209 103 H TYR 28 H TYR 28 -1.348 7.377 0.804 104 HA TYR 28 HA TYR 28 1.293 8.622 1.097 105 1HB TYR 28 2HB TYR 28 -1.282 10.196 0.883 106 2HB TYR 28 1HB TYR 28 0.347 10.847 1.035 107 HD1 TYR 28 1HD TYR 28 1.374 11.607 -0.885 108 HD2 TYR 28 2HD TYR 28 -1.600 8.584 -1.220 109 HE1 TYR 28 1HE TYR 28 1.568 11.696 -3.334 110 HE2 TYR 28 2HE TYR 28 -1.414 8.664 -3.670 111 HH TYR 28 HH TYR 28 0.126 9.344 -5.380 112 H LYS 29 H LYS 29 1.869 8.622 3.174 113 HA LYS 29 HA LYS 29 -0.190 8.213 5.207 114 1HB LYS 29 2HB LYS 29 1.941 6.802 5.023 115 2HB LYS 29 1HB LYS 29 2.783 8.200 5.675 116 1HG LYS 29 2HG LYS 29 0.429 7.420 7.218 117 2HG LYS 29 1HG LYS 29 1.684 6.183 7.143 118 1HD LYS 29 2HD LYS 29 3.162 8.417 7.621 119 2HD LYS 29 1HD LYS 29 1.676 8.789 8.497 120 1HE LYS 29 2HE LYS 29 2.736 7.648 10.143 121 2HE LYS 29 1HE LYS 29 2.021 6.270 9.309 122 1HZ LYS 29 1HZ LYS 29 4.538 6.287 9.894 123 2HZ LYS 29 2HZ LYS 29 4.677 7.214 8.486 124 3HZ LYS 29 3HZ LYS 29 4.020 5.657 8.410 125 H ASP 30 H ASP 30 0.049 9.354 7.298 126 HA ASP 30 HA ASP 30 1.175 12.050 7.037 127 1HB ASP 30 2HB ASP 30 -1.492 11.647 6.696 128 2HB ASP 30 1HB ASP 30 -1.421 11.909 8.436 129 H SER 31 H SER 31 2.025 12.890 8.881 130 HA SER 31 HA SER 31 2.779 11.170 10.950 131 1HB SER 31 2HB SER 31 3.570 13.641 10.152 132 2HB SER 31 1HB SER 31 2.678 14.049 11.618 133 HG SER 31 HG SER 31 4.921 12.353 11.330 134 H GLY 32 H GLY 32 0.862 10.155 11.685 135 1HA GLY 32 2HA GLY 32 -0.186 10.992 14.062 136 2HA GLY 32 1HA GLY 32 -1.258 11.703 12.866 137 H MET 33 H MET 33 -0.729 9.308 11.078 138 HA MET 33 HA MET 33 -2.918 7.730 12.078 139 1HB MET 33 2HB MET 33 -1.264 7.704 9.576 140 2HB MET 33 1HB MET 33 -2.327 6.354 9.949 141 1HG MET 33 2HG MET 33 -3.560 7.762 8.542 142 2HG MET 33 1HG MET 33 -4.188 8.046 10.164 143 1HE MET 33 1HE MET 33 -3.970 10.751 11.347 144 2HE MET 33 2HE MET 33 -5.167 9.972 10.312 145 3HE MET 33 3HE MET 33 -4.595 11.596 9.930 146 H GLU 34 H GLU 34 -2.848 5.414 12.342 147 HA GLU 34 HA GLU 34 -0.443 4.581 13.731 148 1HB GLU 34 2HB GLU 34 -3.115 3.208 13.416 149 2HB GLU 34 1HB GLU 34 -1.799 2.636 14.431 150 1HG GLU 34 2HG GLU 34 -2.254 4.092 16.067 151 2HG GLU 34 1HG GLU 34 -2.611 5.402 14.942 152 H ASP 35 H ASP 35 -1.657 4.313 10.616 153 HA ASP 35 HA ASP 35 0.377 2.387 9.914 154 1HB ASP 35 2HB ASP 35 -2.071 1.331 10.494 155 2HB ASP 35 1HB ASP 35 -2.228 1.621 8.765 156 H PHE 36 H PHE 36 -0.234 1.823 7.349 157 HA PHE 36 HA PHE 36 -0.197 4.478 6.123 158 1HB PHE 36 2HB PHE 36 1.468 2.350 5.755 159 2HB PHE 36 1HB PHE 36 0.355 2.158 4.403 160 HD1 PHE 36 1HD PHE 36 -0.171 4.478 3.157 161 HD2 PHE 36 2HD PHE 36 3.345 3.596 5.384 162 HE1 PHE 36 1HE PHE 36 1.049 6.218 1.917 163 HE2 PHE 36 2HE PHE 36 4.573 5.333 4.147 164 HZ PHE 36 HZ PHE 36 3.423 6.648 2.411 165 H GLY 37 H GLY 37 -2.691 3.289 6.988 166 1HA GLY 37 2HA GLY 37 -4.797 3.675 5.972 167 2HA GLY 37 1HA GLY 37 -4.052 3.420 4.404 168 H PHE 38 H PHE 38 -2.851 0.952 6.135 169 HA PHE 38 HA PHE 38 -5.074 -0.772 6.401 170 1HB PHE 38 2HB PHE 38 -4.734 -2.232 4.489 171 2HB PHE 38 1HB PHE 38 -5.082 -0.595 3.945 172 HD1 PHE 38 1HD PHE 38 -2.670 -3.291 4.010 173 HD2 PHE 38 2HD PHE 38 -3.271 0.800 2.996 174 HE1 PHE 38 1HE PHE 38 -0.644 -3.341 2.619 175 HE2 PHE 38 2HE PHE 38 -1.243 0.755 1.600 176 HZ PHE 38 HZ PHE 38 0.070 -1.327 1.401 177 H SER 39 H SER 39 -4.541 -2.834 7.179 178 HA SER 39 HA SER 39 -1.747 -3.078 8.054 179 1HB SER 39 2HB SER 39 -4.210 -4.442 9.171 180 2HB SER 39 1HB SER 39 -2.585 -4.504 9.849 181 HG SER 39 HG SER 39 -3.977 -2.072 9.469 182 H VAL 40 H VAL 40 -0.526 -4.775 7.459 183 HA VAL 40 HA VAL 40 -1.667 -6.628 5.520 184 HB VAL 40 HB VAL 40 0.634 -7.241 4.998 185 1HG1 VAL 40 1HG1 VAL 40 1.392 -4.709 4.547 186 2HG1 VAL 40 2HG1 VAL 40 -0.312 -4.448 4.916 187 3HG1 VAL 40 3HG1 VAL 40 0.149 -5.530 3.604 188 1HG2 VAL 40 1HG2 VAL 40 2.108 -7.101 6.679 189 2HG2 VAL 40 2HG2 VAL 40 1.158 -5.881 7.529 190 3HG2 VAL 40 3HG2 VAL 40 2.254 -5.401 6.232 191 H ALA 41 H ALA 41 -0.713 -8.906 5.569 192 HA ALA 41 HA ALA 41 -0.448 -9.939 8.301 193 1HB ALA 41 1HB ALA 41 -2.850 -10.054 7.525 194 2HB ALA 41 2HB ALA 41 -2.130 -11.583 8.026 195 3HB ALA 41 3HB ALA 41 -2.312 -11.214 6.312 196 H ASP 42 H ASP 42 0.310 -12.205 8.344 197 HA ASP 42 HA ASP 42 2.379 -12.593 6.356 198 1HB ASP 42 2HB ASP 42 2.992 -14.556 7.811 199 2HB ASP 42 1HB ASP 42 3.012 -13.000 8.633 200 H GLY 43 H GLY 43 2.329 -13.969 4.692 201 1HA GLY 43 2HA GLY 43 -0.065 -15.654 4.410 202 2HA GLY 43 1HA GLY 43 0.937 -15.079 3.091 203 H LEU 44 H LEU 44 0.261 -17.643 5.151 204 HA LEU 44 HA LEU 44 2.834 -18.944 4.712 205 1HB LEU 44 2HB LEU 44 0.465 -20.041 6.210 206 2HB LEU 44 1HB LEU 44 2.123 -20.607 6.278 207 HG LEU 44 HG LEU 44 2.454 -18.048 7.107 208 1HD1 LEU 44 1HD1 LEU 44 0.633 -17.691 8.810 209 2HD1 LEU 44 2HD1 LEU 44 -0.304 -18.909 7.946 210 3HD1 LEU 44 3HD1 LEU 44 0.173 -17.420 7.129 211 1HD2 LEU 44 1HD2 LEU 44 1.971 -20.620 8.543 212 2HD2 LEU 44 2HD2 LEU 44 2.178 -19.133 9.468 213 3HD2 LEU 44 3HD2 LEU 44 3.456 -19.681 8.381 214 H LEU 45 H LEU 45 -0.421 -18.997 3.612 215 HA LEU 45 HA LEU 45 -0.184 -21.557 2.294 216 1HB LEU 45 2HB LEU 45 -2.315 -20.587 3.301 217 2HB LEU 45 1HB LEU 45 -2.373 -19.535 1.899 218 HG LEU 45 HG LEU 45 -2.072 -22.034 0.771 219 1HD1 LEU 45 1HD1 LEU 45 -2.475 -23.399 2.567 220 2HD1 LEU 45 2HD1 LEU 45 -4.113 -23.175 1.952 221 3HD1 LEU 45 3HD1 LEU 45 -3.558 -22.243 3.343 222 1HD2 LEU 45 1HD2 LEU 45 -3.582 -20.765 -0.329 223 2HD2 LEU 45 2HD2 LEU 45 -4.257 -20.085 1.152 224 3HD2 LEU 45 3HD2 LEU 45 -4.730 -21.701 0.629 225 H GLU 46 H GLU 46 0.889 -18.490 1.579 226 HA GLU 46 HA GLU 46 1.341 -19.223 -1.187 227 1HB GLU 46 2HB GLU 46 0.180 -16.499 -0.761 228 2HB GLU 46 1HB GLU 46 0.229 -17.472 -2.223 229 1HG GLU 46 2HG GLU 46 -1.454 -18.984 -1.222 230 2HG GLU 46 1HG GLU 46 -1.554 -17.896 0.162 231 H LYS 47 H LYS 47 2.933 -18.771 1.220 232 HA LYS 47 HA LYS 47 4.623 -17.400 2.069 233 1HB LYS 47 2HB LYS 47 5.246 -18.680 -0.492 234 2HB LYS 47 1HB LYS 47 6.340 -17.368 -0.073 235 1HG LYS 47 2HG LYS 47 5.694 -19.495 1.925 236 2HG LYS 47 1HG LYS 47 6.905 -19.771 0.670 237 1HD LYS 47 2HD LYS 47 8.222 -18.937 2.355 238 2HD LYS 47 1HD LYS 47 7.819 -17.449 1.494 239 1HE LYS 47 2HE LYS 47 6.546 -16.663 3.182 240 2HE LYS 47 1HE LYS 47 5.913 -18.259 3.586 241 1HZ LYS 47 1HZ LYS 47 8.448 -18.523 4.348 242 2HZ LYS 47 2HZ LYS 47 7.219 -17.992 5.379 243 3HZ LYS 47 3HZ LYS 47 8.237 -16.868 4.630 244 H GLY 48 H GLY 48 3.820 -15.319 2.377 245 1HA GLY 48 2HA GLY 48 5.066 -13.177 1.313 246 2HA GLY 48 1HA GLY 48 3.755 -13.443 0.172 247 H VAL 49 H VAL 49 4.034 -11.093 1.689 248 HA VAL 49 HA VAL 49 1.958 -11.339 3.747 249 HB VAL 49 HB VAL 49 3.722 -8.960 3.152 250 1HG1 VAL 49 1HG1 VAL 49 2.559 -9.260 5.819 251 2HG1 VAL 49 2HG1 VAL 49 1.367 -9.024 4.540 252 3HG1 VAL 49 3HG1 VAL 49 2.656 -7.842 4.776 253 1HG2 VAL 49 1HG2 VAL 49 5.313 -9.756 4.525 254 2HG2 VAL 49 2HG2 VAL 49 4.602 -11.324 4.147 255 3HG2 VAL 49 3HG2 VAL 49 4.144 -10.481 5.627 256 H TYR 50 H TYR 50 -0.013 -10.467 3.526 257 HA TYR 50 HA TYR 50 -0.503 -8.729 1.201 258 1HB TYR 50 2HB TYR 50 -2.830 -10.287 2.032 259 2HB TYR 50 1HB TYR 50 -2.173 -10.019 0.424 260 HD1 TYR 50 1HD TYR 50 0.365 -11.283 0.363 261 HD2 TYR 50 2HD TYR 50 -3.138 -12.527 2.429 262 HE1 TYR 50 1HE TYR 50 1.154 -13.605 0.287 263 HE2 TYR 50 2HE TYR 50 -2.360 -14.852 2.362 264 HH TYR 50 HH TYR 50 -0.859 -16.256 1.078 265 H VAL 51 H VAL 51 -2.958 -7.883 1.534 266 HA VAL 51 HA VAL 51 -2.815 -6.360 4.007 267 HB VAL 51 HB VAL 51 -4.787 -6.083 1.734 268 1HG1 VAL 51 1HG1 VAL 51 -4.221 -4.517 4.209 269 2HG1 VAL 51 2HG1 VAL 51 -5.768 -4.943 3.478 270 3HG1 VAL 51 3HG1 VAL 51 -4.771 -3.676 2.762 271 1HG2 VAL 51 1HG2 VAL 51 -2.152 -4.709 2.234 272 2HG2 VAL 51 2HG2 VAL 51 -3.354 -4.151 1.069 273 3HG2 VAL 51 3HG2 VAL 51 -2.586 -5.727 0.862 274 H LYS 52 H LYS 52 -4.815 -6.015 5.275 275 HA LYS 52 HA LYS 52 -6.738 -8.196 5.166 276 1HB LYS 52 2HB LYS 52 -5.158 -9.160 6.639 277 2HB LYS 52 1HB LYS 52 -4.887 -7.635 7.466 278 1HG LYS 52 2HG LYS 52 -6.345 -8.241 9.008 279 2HG LYS 52 1HG LYS 52 -7.617 -8.243 7.787 280 1HD LYS 52 2HD LYS 52 -5.794 -10.600 8.080 281 2HD LYS 52 1HD LYS 52 -7.173 -10.397 9.163 282 1HE LYS 52 2HE LYS 52 -7.378 -10.377 6.157 283 2HE LYS 52 1HE LYS 52 -7.615 -11.817 7.146 284 1HZ LYS 52 1HZ LYS 52 -9.165 -9.502 7.943 285 2HZ LYS 52 2HZ LYS 52 -9.627 -11.125 7.817 286 3HZ LYS 52 3HZ LYS 52 -9.576 -10.152 6.436 287 H ASN 53 H ASN 53 -5.708 -5.235 6.715 288 HA ASN 53 HA ASN 53 -8.545 -4.489 7.027 289 1HB ASN 53 2HB ASN 53 -6.239 -3.766 8.851 290 2HB ASN 53 1HB ASN 53 -7.886 -3.162 9.012 291 1HD2 ASN 53 1HD2 ASN 53 -5.717 -5.596 9.830 292 2HD2 ASN 53 2HD2 ASN 53 -6.836 -6.696 10.564 293 H ILE 54 H ILE 54 -9.149 -2.635 6.066 294 HA ILE 54 HA ILE 54 -7.082 -0.684 5.339 295 HB ILE 54 HB ILE 54 -9.250 -1.629 3.472 296 1HG1 ILE 54 2HG1 ILE 54 -6.543 -2.606 3.992 297 2HG1 ILE 54 1HG1 ILE 54 -7.867 -3.373 3.123 298 1HG2 ILE 54 1HG2 ILE 54 -8.593 0.745 3.233 299 2HG2 ILE 54 2HG2 ILE 54 -8.191 -0.222 1.814 300 3HG2 ILE 54 3HG2 ILE 54 -6.929 0.231 2.960 301 1HD1 ILE 54 1HD1 ILE 54 -6.235 -3.172 1.507 302 2HD1 ILE 54 2HD1 ILE 54 -5.706 -1.593 2.087 303 3HD1 ILE 54 3HD1 ILE 54 -7.231 -1.745 1.214 304 H ARG 55 H ARG 55 -7.623 1.218 6.177 305 HA ARG 55 HA ARG 55 -10.205 1.806 7.186 306 1HB ARG 55 2HB ARG 55 -7.604 2.988 7.246 307 2HB ARG 55 1HB ARG 55 -8.765 4.222 6.774 308 1HG ARG 55 2HG ARG 55 -8.808 4.437 9.047 309 2HG ARG 55 1HG ARG 55 -10.127 3.289 8.804 310 1HD ARG 55 2HD ARG 55 -8.386 1.464 9.154 311 2HD ARG 55 1HD ARG 55 -7.324 2.742 9.741 312 HE ARG 55 HE ARG 55 -8.475 2.701 11.704 313 1HH1 ARG 55 1HH1 ARG 55 -10.520 1.354 9.219 314 2HH1 ARG 55 2HH1 ARG 55 -11.790 0.931 10.317 315 1HH2 ARG 55 1HH2 ARG 55 -10.143 2.144 13.150 316 2HH2 ARG 55 2HH2 ARG 55 -11.577 1.381 12.550 317 HA PRO 56 HA PRO 56 -11.849 2.921 3.119 318 1HB PRO 56 2HB PRO 56 -14.345 3.355 4.609 319 2HB PRO 56 1HB PRO 56 -14.009 2.235 3.288 320 1HG PRO 56 2HG PRO 56 -14.390 1.380 5.807 321 2HG PRO 56 1HG PRO 56 -13.257 0.578 4.705 322 1HD PRO 56 2HD PRO 56 -12.694 2.518 6.921 323 2HD PRO 56 1HD PRO 56 -11.829 1.029 6.480 324 H ALA 57 H ALA 57 -10.362 4.914 4.180 325 HA ALA 57 HA ALA 57 -11.706 7.229 3.363 326 1HB ALA 57 1HB ALA 57 -11.771 6.627 6.248 327 2HB ALA 57 2HB ALA 57 -12.864 7.603 5.266 328 3HB ALA 57 3HB ALA 57 -11.328 8.278 5.808 329 H GLY 58 H GLY 58 -9.116 5.981 5.424 330 1HA GLY 58 2HA GLY 58 -7.378 8.201 5.031 331 2HA GLY 58 1HA GLY 58 -6.924 6.631 5.675 332 HA PRO 59 HA PRO 59 -4.665 7.057 1.677 333 1HB PRO 59 2HB PRO 59 -2.921 5.103 3.052 334 2HB PRO 59 1HB PRO 59 -2.497 6.619 2.251 335 1HG PRO 59 2HG PRO 59 -2.454 6.405 4.916 336 2HG PRO 59 1HG PRO 59 -2.988 7.897 4.120 337 1HD PRO 59 2HD PRO 59 -4.626 5.727 5.371 338 2HD PRO 59 1HD PRO 59 -4.848 7.489 5.436 339 H GLY 60 H GLY 60 -5.445 4.180 3.572 340 1HA GLY 60 2HA GLY 60 -5.055 2.221 1.631 341 2HA GLY 60 1HA GLY 60 -6.210 2.108 2.952 342 H ASP 61 H ASP 61 -8.052 4.010 2.367 343 HA ASP 61 HA ASP 61 -9.492 2.792 0.219 344 1HB ASP 61 2HB ASP 61 -10.347 3.964 2.432 345 2HB ASP 61 1HB ASP 61 -10.343 5.399 1.413 346 H LEU 62 H LEU 62 -7.708 5.766 0.702 347 HA LEU 62 HA LEU 62 -8.501 7.127 -1.605 348 1HB LEU 62 2HB LEU 62 -5.942 7.226 -0.017 349 2HB LEU 62 1HB LEU 62 -6.278 8.312 -1.352 350 HG LEU 62 HG LEU 62 -8.158 8.114 0.982 351 1HD1 LEU 62 1HD1 LEU 62 -6.998 9.967 2.031 352 2HD1 LEU 62 2HD1 LEU 62 -5.769 9.940 0.767 353 3HD1 LEU 62 3HD1 LEU 62 -5.920 8.579 1.878 354 1HD2 LEU 62 1HD2 LEU 62 -9.242 9.389 -0.543 355 2HD2 LEU 62 2HD2 LEU 62 -7.755 9.879 -1.355 356 3HD2 LEU 62 3HD2 LEU 62 -8.232 10.656 0.155 357 H GLY 63 H GLY 63 -6.208 4.543 -1.124 358 1HA GLY 63 2HA GLY 63 -5.023 4.855 -3.753 359 2HA GLY 63 1HA GLY 63 -4.658 3.593 -2.585 360 H GLY 64 H GLY 64 -7.012 2.376 -2.135 361 1HA GLY 64 2HA GLY 64 -8.914 1.437 -3.314 362 2HA GLY 64 1HA GLY 64 -8.005 1.610 -4.807 363 H LEU 65 H LEU 65 -7.121 0.207 -1.657 364 HA LEU 65 HA LEU 65 -6.347 -2.245 -3.082 365 1HB LEU 65 2HB LEU 65 -5.519 -1.659 -0.272 366 2HB LEU 65 1HB LEU 65 -4.706 -2.623 -1.490 367 HG LEU 65 HG LEU 65 -4.599 -0.151 -2.627 368 1HD1 LEU 65 1HD1 LEU 65 -4.947 0.194 0.273 369 2HD1 LEU 65 2HD1 LEU 65 -5.242 1.320 -1.051 370 3HD1 LEU 65 3HD1 LEU 65 -3.603 1.078 -0.448 371 1HD2 LEU 65 1HD2 LEU 65 -2.761 -1.821 -1.022 372 2HD2 LEU 65 2HD2 LEU 65 -2.263 -0.158 -1.328 373 3HD2 LEU 65 3HD2 LEU 65 -2.611 -1.237 -2.678 374 H LYS 66 H LYS 66 -6.573 -4.286 -1.800 375 HA LYS 66 HA LYS 66 -8.950 -4.256 -0.066 376 1HB LYS 66 2HB LYS 66 -8.448 -5.924 -2.514 377 2HB LYS 66 1HB LYS 66 -9.483 -6.524 -1.225 378 1HG LYS 66 2HG LYS 66 -10.448 -3.986 -1.665 379 2HG LYS 66 1HG LYS 66 -10.015 -4.541 -3.283 380 1HD LYS 66 2HD LYS 66 -11.786 -6.003 -1.323 381 2HD LYS 66 1HD LYS 66 -12.333 -5.102 -2.739 382 1HE LYS 66 2HE LYS 66 -10.413 -7.412 -2.914 383 2HE LYS 66 1HE LYS 66 -12.162 -7.619 -2.996 384 1HZ LYS 66 1HZ LYS 66 -12.255 -6.294 -4.952 385 2HZ LYS 66 2HZ LYS 66 -11.043 -7.450 -5.189 386 3HZ LYS 66 3HZ LYS 66 -10.626 -5.852 -4.820 387 HA PRO 67 HA PRO 67 -6.703 -6.901 2.652 388 1HB PRO 67 2HB PRO 67 -8.586 -8.728 3.423 389 2HB PRO 67 1HB PRO 67 -8.530 -7.066 4.022 390 1HG PRO 67 2HG PRO 67 -10.233 -8.243 1.861 391 2HG PRO 67 1HG PRO 67 -10.679 -7.100 3.140 392 1HD PRO 67 2HD PRO 67 -10.204 -6.299 0.613 393 2HD PRO 67 1HD PRO 67 -9.784 -5.292 2.014 394 H TYR 68 H TYR 68 -5.752 -7.574 0.358 395 HA TYR 68 HA TYR 68 -5.210 -10.317 0.495 396 1HB TYR 68 2HB TYR 68 -7.365 -9.482 -1.361 397 2HB TYR 68 1HB TYR 68 -6.183 -10.624 -1.992 398 HD1 TYR 68 1HD TYR 68 -5.621 -12.558 -0.128 399 HD2 TYR 68 2HD TYR 68 -9.286 -10.436 -0.541 400 HE1 TYR 68 1HE TYR 68 -6.807 -14.399 0.987 401 HE2 TYR 68 2HE TYR 68 -10.482 -12.271 0.573 402 HH TYR 68 HH TYR 68 -9.564 -15.174 0.835 403 H ASP 69 H ASP 69 -5.133 -7.334 -1.311 404 HA ASP 69 HA ASP 69 -3.372 -7.904 -3.332 405 1HB ASP 69 2HB ASP 69 -2.751 -5.553 -3.325 406 2HB ASP 69 1HB ASP 69 -4.482 -5.718 -3.066 407 H ARG 70 H ARG 70 -1.783 -9.284 -2.902 408 HA ARG 70 HA ARG 70 -0.055 -9.070 -0.644 409 1HB ARG 70 2HB ARG 70 -0.457 -11.228 -1.531 410 2HB ARG 70 1HB ARG 70 -0.031 -10.719 -3.157 411 1HG ARG 70 2HG ARG 70 2.298 -10.491 -2.506 412 2HG ARG 70 1HG ARG 70 1.891 -10.919 -0.843 413 1HD ARG 70 2HD ARG 70 2.705 -12.906 -1.763 414 2HD ARG 70 1HD ARG 70 0.953 -13.086 -1.828 415 HE ARG 70 HE ARG 70 1.529 -12.061 -4.251 416 1HH1 ARG 70 1HH1 ARG 70 2.837 -14.756 -2.460 417 2HH1 ARG 70 2HH1 ARG 70 3.243 -15.663 -3.878 418 1HH2 ARG 70 1HH2 ARG 70 2.063 -13.251 -6.118 419 2HH2 ARG 70 2HH2 ARG 70 2.804 -14.810 -5.955 420 H LEU 71 H LEU 71 1.191 -7.297 -0.520 421 HA LEU 71 HA LEU 71 2.169 -5.756 -2.601 422 1HB LEU 71 2HB LEU 71 3.453 -6.196 0.094 423 2HB LEU 71 1HB LEU 71 3.761 -4.847 -0.984 424 HG LEU 71 HG LEU 71 0.935 -5.083 -0.396 425 1HD1 LEU 71 1HD1 LEU 71 1.539 -4.112 2.025 426 2HD1 LEU 71 2HD1 LEU 71 2.837 -5.291 1.848 427 3HD1 LEU 71 3HD1 LEU 71 1.156 -5.808 1.728 428 1HD2 LEU 71 1HD2 LEU 71 1.085 -2.877 -0.636 429 2HD2 LEU 71 2HD2 LEU 71 2.787 -3.118 -1.028 430 3HD2 LEU 71 3HD2 LEU 71 2.307 -2.748 0.627 431 H LEU 72 H LEU 72 3.330 -6.489 -4.254 432 HA LEU 72 HA LEU 72 5.232 -8.630 -3.919 433 1HB LEU 72 2HB LEU 72 4.606 -6.977 -6.363 434 2HB LEU 72 1HB LEU 72 5.543 -8.455 -6.335 435 HG LEU 72 HG LEU 72 2.597 -8.076 -6.178 436 1HD1 LEU 72 1HD1 LEU 72 2.557 -9.516 -7.918 437 2HD1 LEU 72 2HD1 LEU 72 3.884 -10.489 -7.289 438 3HD1 LEU 72 3HD1 LEU 72 4.220 -8.963 -8.106 439 1HD2 LEU 72 1HD2 LEU 72 3.848 -10.588 -5.099 440 2HD2 LEU 72 2HD2 LEU 72 2.157 -10.093 -5.059 441 3HD2 LEU 72 3HD2 LEU 72 3.339 -9.268 -4.047 442 H GLN 73 H GLN 73 5.541 -5.407 -5.423 443 HA GLN 73 HA GLN 73 8.242 -5.240 -4.246 444 1HB GLN 73 2HB GLN 73 9.065 -4.175 -6.237 445 2HB GLN 73 1HB GLN 73 8.284 -5.680 -6.699 446 1HG GLN 73 2HG GLN 73 7.176 -4.500 -8.213 447 2HG GLN 73 1HG GLN 73 6.254 -3.819 -6.872 448 1HE2 GLN 73 1HE2 GLN 73 8.510 -3.224 -9.353 449 2HE2 GLN 73 2HE2 GLN 73 8.790 -1.546 -9.019 450 H VAL 74 H VAL 74 8.718 -3.438 -3.153 451 HA VAL 74 HA VAL 74 6.706 -1.299 -3.129 452 HB VAL 74 HB VAL 74 8.862 -1.820 -1.080 453 1HG1 VAL 74 1HG1 VAL 74 6.701 0.186 -1.380 454 2HG1 VAL 74 2HG1 VAL 74 8.304 0.342 -0.660 455 3HG1 VAL 74 3HG1 VAL 74 7.006 -0.441 0.240 456 1HG2 VAL 74 1HG2 VAL 74 6.060 -2.342 -0.370 457 2HG2 VAL 74 2HG2 VAL 74 7.522 -3.235 0.044 458 3HG2 VAL 74 3HG2 VAL 74 6.758 -3.472 -1.528 459 H ASN 75 H ASN 75 7.264 0.194 -4.605 460 HA ASN 75 HA ASN 75 8.384 1.987 -5.462 461 1HB ASN 75 2HB ASN 75 9.588 1.681 -2.926 462 2HB ASN 75 1HB ASN 75 10.906 1.873 -4.077 463 1HD2 ASN 75 1HD2 ASN 75 8.220 3.366 -2.521 464 2HD2 ASN 75 2HD2 ASN 75 8.499 4.973 -3.109 465 H HIS 76 H HIS 76 10.759 -0.496 -4.597 466 HA HIS 76 HA HIS 76 11.200 -1.279 -7.292 467 1HB HIS 76 2HB HIS 76 12.410 0.936 -7.168 468 2HB HIS 76 1HB HIS 76 13.496 0.195 -5.997 469 HD1 HIS 76 1HD HIS 76 12.231 -0.855 -9.441 470 HD2 HIS 76 2HD HIS 76 15.754 -0.552 -7.260 471 HE1 HIS 76 1HE HIS 76 14.046 -1.670 -10.979 472 HE2 HIS 76 2HE HIS 76 16.156 -1.559 -9.607 473 H VAL 77 H VAL 77 11.656 -1.567 -3.936 474 HA VAL 77 HA VAL 77 13.623 -3.690 -4.087 475 HB VAL 77 HB VAL 77 12.019 -2.820 -1.683 476 1HG1 VAL 77 1HG1 VAL 77 14.237 -4.708 -2.150 477 2HG1 VAL 77 2HG1 VAL 77 12.969 -4.722 -0.925 478 3HG1 VAL 77 3HG1 VAL 77 14.376 -3.680 -0.724 479 1HG2 VAL 77 1HG2 VAL 77 13.399 -1.009 -2.864 480 2HG2 VAL 77 2HG2 VAL 77 14.809 -1.907 -2.307 481 3HG2 VAL 77 3HG2 VAL 77 13.665 -1.251 -1.139 482 H ARG 78 H ARG 78 13.258 -5.849 -3.801 483 HA ARG 78 HA ARG 78 10.683 -6.853 -4.480 484 1HB ARG 78 2HB ARG 78 13.326 -8.057 -3.789 485 2HB ARG 78 1HB ARG 78 11.901 -9.084 -3.742 486 1HG ARG 78 2HG ARG 78 12.137 -7.460 -6.167 487 2HG ARG 78 1HG ARG 78 13.433 -8.635 -5.938 488 1HD ARG 78 2HD ARG 78 11.411 -10.234 -5.376 489 2HD ARG 78 1HD ARG 78 10.518 -9.069 -6.354 490 HE ARG 78 HE ARG 78 12.653 -9.645 -7.901 491 1HH1 ARG 78 1HH1 ARG 78 10.316 -11.645 -6.255 492 2HH1 ARG 78 2HH1 ARG 78 10.406 -12.925 -7.419 493 1HH2 ARG 78 1HH2 ARG 78 12.778 -11.327 -9.428 494 2HH2 ARG 78 2HH2 ARG 78 11.804 -12.745 -9.219 495 H THR 79 H THR 79 9.039 -7.420 -3.198 496 HA THR 79 HA THR 79 9.549 -8.088 -0.402 497 HB THR 79 HB THR 79 7.667 -6.595 0.316 498 HG1 THR 79 1HG THR 79 8.009 -5.495 -2.275 499 1HG2 THR 79 1HG2 THR 79 10.089 -5.920 0.491 500 2HG2 THR 79 2HG2 THR 79 8.910 -4.608 0.470 501 3HG2 THR 79 3HG2 THR 79 9.838 -4.983 -0.980 502 H ARG 80 H ARG 80 8.646 -9.505 -2.865 503 HA ARG 80 HA ARG 80 5.865 -10.085 -2.538 504 1HB ARG 80 2HB ARG 80 8.064 -11.479 -4.067 505 2HB ARG 80 1HB ARG 80 6.387 -12.004 -4.094 506 1HG ARG 80 2HG ARG 80 5.706 -10.236 -5.368 507 2HG ARG 80 1HG ARG 80 6.974 -9.172 -4.759 508 1HD ARG 80 2HD ARG 80 8.400 -9.756 -6.382 509 2HD ARG 80 1HD ARG 80 8.002 -11.466 -6.240 510 HE ARG 80 HE ARG 80 5.838 -10.430 -7.485 511 1HH1 ARG 80 1HH1 ARG 80 9.264 -10.264 -8.120 512 2HH1 ARG 80 2HH1 ARG 80 9.068 -10.123 -9.834 513 1HH2 ARG 80 1HH2 ARG 80 5.575 -10.244 -9.741 514 2HH2 ARG 80 2HH2 ARG 80 6.974 -10.111 -10.755 515 H ASP 81 H ASP 81 8.842 -11.920 -1.852 516 HA ASP 81 HA ASP 81 7.312 -13.803 -0.229 517 1HB ASP 81 2HB ASP 81 9.248 -14.341 -1.949 518 2HB ASP 81 1HB ASP 81 10.274 -13.998 -0.562 519 H PHE 82 H PHE 82 7.861 -10.976 0.589 520 HA PHE 82 HA PHE 82 9.731 -11.170 2.772 521 1HB PHE 82 2HB PHE 82 8.076 -9.046 1.533 522 2HB PHE 82 1HB PHE 82 8.432 -8.849 3.245 523 HD1 PHE 82 1HD PHE 82 9.872 -7.006 3.168 524 HD2 PHE 82 2HD PHE 82 10.645 -10.393 0.713 525 HE1 PHE 82 1HE PHE 82 12.083 -6.087 2.604 526 HE2 PHE 82 2HE PHE 82 12.858 -9.482 0.145 527 HZ PHE 82 HZ PHE 82 13.581 -7.326 1.090 528 H ASP 83 H ASP 83 9.025 -10.482 4.991 529 HA ASP 83 HA ASP 83 6.534 -11.883 5.684 530 1HB ASP 83 2HB ASP 83 8.727 -12.707 6.648 531 2HB ASP 83 1HB ASP 83 8.813 -11.195 7.546 532 H CYS 84 H CYS 84 5.302 -11.000 7.527 533 HA CYS 84 HA CYS 84 4.486 -8.397 7.130 534 1HB CYS 84 2HB CYS 84 3.483 -10.376 8.570 535 2HB CYS 84 1HB CYS 84 4.303 -9.540 9.885 536 HG CYS 84 HG CYS 84 2.815 -7.402 9.167 537 H CYS 85 H CYS 85 6.876 -9.631 9.423 538 HA CYS 85 HA CYS 85 7.354 -7.229 10.767 539 1HB CYS 85 2HB CYS 85 8.936 -9.746 10.388 540 2HB CYS 85 1HB CYS 85 9.657 -8.365 11.206 541 HG CYS 85 HG CYS 85 8.377 -10.174 12.804 542 H LEU 86 H LEU 86 8.325 -8.330 7.650 543 HA LEU 86 HA LEU 86 10.452 -6.345 7.431 544 1HB LEU 86 2HB LEU 86 9.520 -8.644 5.762 545 2HB LEU 86 1HB LEU 86 10.453 -7.365 5.005 546 HG LEU 86 HG LEU 86 12.192 -7.778 6.844 547 1HD1 LEU 86 1HD1 LEU 86 12.039 -9.549 8.227 548 2HD1 LEU 86 2HD1 LEU 86 11.223 -10.553 7.028 549 3HD1 LEU 86 3HD1 LEU 86 10.309 -9.356 7.946 550 1HD2 LEU 86 1HD2 LEU 86 12.438 -8.417 4.469 551 2HD2 LEU 86 2HD2 LEU 86 11.695 -9.974 4.839 552 3HD2 LEU 86 3HD2 LEU 86 13.239 -9.538 5.571 553 H VAL 87 H VAL 87 7.198 -6.970 6.312 554 HA VAL 87 HA VAL 87 7.182 -4.838 4.395 555 HB VAL 87 HB VAL 87 4.868 -6.377 5.585 556 1HG1 VAL 87 1HG1 VAL 87 4.506 -5.291 2.919 557 2HG1 VAL 87 2HG1 VAL 87 4.800 -4.028 4.112 558 3HG1 VAL 87 3HG1 VAL 87 3.471 -5.162 4.340 559 1HG2 VAL 87 1HG2 VAL 87 6.644 -6.854 3.219 560 2HG2 VAL 87 2HG2 VAL 87 4.992 -7.469 3.249 561 3HG2 VAL 87 3HG2 VAL 87 6.144 -7.978 4.483 562 H VAL 88 H VAL 88 6.176 -5.259 7.748 563 HA VAL 88 HA VAL 88 4.638 -2.976 8.069 564 HB VAL 88 HB VAL 88 6.490 -4.285 10.066 565 1HG1 VAL 88 1HG1 VAL 88 6.036 -1.997 10.753 566 2HG1 VAL 88 2HG1 VAL 88 5.177 -3.135 11.792 567 3HG1 VAL 88 3HG1 VAL 88 4.305 -2.259 10.535 568 1HG2 VAL 88 1HG2 VAL 88 3.583 -4.534 10.354 569 2HG2 VAL 88 2HG2 VAL 88 4.850 -5.749 10.518 570 3HG2 VAL 88 3HG2 VAL 88 4.249 -5.312 8.919 571 HA PRO 89 HA PRO 89 8.685 -0.522 9.115 572 1HB PRO 89 2HB PRO 89 11.030 -1.595 8.256 573 2HB PRO 89 1HB PRO 89 10.367 -1.900 9.865 574 1HG PRO 89 2HG PRO 89 10.233 -3.603 7.408 575 2HG PRO 89 1HG PRO 89 10.567 -4.081 9.082 576 1HD PRO 89 2HD PRO 89 8.142 -4.412 7.949 577 2HD PRO 89 1HD PRO 89 8.338 -4.045 9.671 578 H LEU 90 H LEU 90 9.063 -2.540 6.185 579 HA LEU 90 HA LEU 90 10.146 -0.605 4.521 580 1HB LEU 90 2HB LEU 90 8.372 -2.961 3.931 581 2HB LEU 90 1HB LEU 90 9.045 -1.956 2.663 582 HG LEU 90 HG LEU 90 10.833 -3.257 4.689 583 1HD1 LEU 90 1HD1 LEU 90 10.570 -4.649 2.136 584 2HD1 LEU 90 2HD1 LEU 90 9.133 -4.746 3.153 585 3HD1 LEU 90 3HD1 LEU 90 10.690 -5.289 3.775 586 1HD2 LEU 90 1HD2 LEU 90 12.310 -3.220 2.571 587 2HD2 LEU 90 2HD2 LEU 90 12.031 -1.712 3.440 588 3HD2 LEU 90 3HD2 LEU 90 11.130 -2.059 1.964 589 H ILE 91 H ILE 91 6.849 -1.144 5.518 590 HA ILE 91 HA ILE 91 5.665 0.609 3.590 591 HB ILE 91 HB ILE 91 4.648 -0.722 6.094 592 1HG1 ILE 91 2HG1 ILE 91 3.796 -0.977 3.205 593 2HG1 ILE 91 1HG1 ILE 91 4.975 -2.031 3.987 594 1HG2 ILE 91 1HG2 ILE 91 2.766 0.759 4.318 595 2HG2 ILE 91 2HG2 ILE 91 3.625 1.641 5.579 596 3HG2 ILE 91 3HG2 ILE 91 2.586 0.285 6.005 597 1HD1 ILE 91 1HD1 ILE 91 2.071 -1.730 4.710 598 2HD1 ILE 91 2HD1 ILE 91 3.236 -2.715 5.594 599 3HD1 ILE 91 3HD1 ILE 91 2.835 -3.112 3.923 600 H ALA 92 H ALA 92 6.547 0.879 7.018 601 HA ALA 92 HA ALA 92 5.671 3.583 7.211 602 1HB ALA 92 1HB ALA 92 7.543 2.556 9.236 603 2HB ALA 92 2HB ALA 92 6.038 1.659 9.041 604 3HB ALA 92 3HB ALA 92 5.995 3.378 9.431 605 H GLU 93 H GLU 93 8.315 2.256 5.730 606 HA GLU 93 HA GLU 93 10.242 4.256 6.532 607 1HB GLU 93 2HB GLU 93 10.271 1.787 4.927 608 2HB GLU 93 1HB GLU 93 11.372 3.041 4.376 609 1HG GLU 93 2HG GLU 93 12.296 3.153 6.682 610 2HG GLU 93 1HG GLU 93 11.284 1.772 7.100 611 H SER 94 H SER 94 7.780 4.011 4.217 612 HA SER 94 HA SER 94 8.881 5.536 2.121 613 1HB SER 94 2HB SER 94 6.141 4.729 2.945 614 2HB SER 94 1HB SER 94 6.284 6.071 1.810 615 HG SER 94 HG SER 94 7.637 3.620 1.413 616 H GLY 95 H GLY 95 7.591 6.397 5.182 617 1HA GLY 95 2HA GLY 95 7.898 8.463 6.256 618 2HA GLY 95 1HA GLY 95 8.287 9.185 4.701 619 H ASN 96 H ASN 96 6.283 9.005 3.122 620 HA ASN 96 HA ASN 96 3.713 9.260 4.356 621 1HB ASN 96 2HB ASN 96 3.377 11.649 3.642 622 2HB ASN 96 1HB ASN 96 4.483 11.430 4.994 623 1HD2 ASN 96 1HD2 ASN 96 5.489 13.392 4.610 624 2HD2 ASN 96 2HD2 ASN 96 6.567 13.632 3.273 625 H LYS 97 H LYS 97 5.307 8.086 1.970 626 HA LYS 97 HA LYS 97 3.103 8.198 0.125 627 1HB LYS 97 2HB LYS 97 5.375 9.899 -0.274 628 2HB LYS 97 1HB LYS 97 5.362 8.670 -1.531 629 1HG LYS 97 2HG LYS 97 2.959 9.286 -1.953 630 2HG LYS 97 1HG LYS 97 3.211 10.664 -0.879 631 1HD LYS 97 2HD LYS 97 3.553 11.463 -3.084 632 2HD LYS 97 1HD LYS 97 5.154 11.306 -2.360 633 1HE LYS 97 2HE LYS 97 5.652 10.203 -4.251 634 2HE LYS 97 1HE LYS 97 4.838 8.850 -3.467 635 1HZ LYS 97 1HZ LYS 97 4.102 9.358 -5.791 636 2HZ LYS 97 2HZ LYS 97 3.424 10.792 -5.204 637 3HZ LYS 97 3HZ LYS 97 2.859 9.300 -4.645 638 H LEU 98 H LEU 98 2.829 6.041 0.012 639 HA LEU 98 HA LEU 98 5.207 4.366 -0.387 640 1HB LEU 98 2HB LEU 98 2.949 4.101 1.298 641 2HB LEU 98 1HB LEU 98 2.857 2.817 0.109 642 HG LEU 98 HG LEU 98 5.133 3.354 2.015 643 1HD1 LEU 98 1HD1 LEU 98 2.773 1.691 2.092 644 2HD1 LEU 98 2HD1 LEU 98 3.947 2.049 3.359 645 3HD1 LEU 98 3HD1 LEU 98 4.247 0.731 2.228 646 1HD2 LEU 98 1HD2 LEU 98 5.273 0.875 0.526 647 2HD2 LEU 98 2HD2 LEU 98 6.502 2.115 0.770 648 3HD2 LEU 98 3HD2 LEU 98 5.336 2.278 -0.541 649 H ASP 99 H ASP 99 5.590 4.024 -2.464 650 HA ASP 99 HA ASP 99 3.328 3.450 -4.258 651 1HB ASP 99 2HB ASP 99 5.569 5.095 -4.605 652 2HB ASP 99 1HB ASP 99 5.926 3.659 -5.558 653 H LEU 100 H LEU 100 2.954 1.339 -4.600 654 HA LEU 100 HA LEU 100 5.213 -0.475 -4.912 655 1HB LEU 100 2HB LEU 100 4.028 -2.089 -3.304 656 2HB LEU 100 1HB LEU 100 4.980 -0.782 -2.628 657 HG LEU 100 HG LEU 100 2.635 0.456 -2.619 658 1HD1 LEU 100 1HD1 LEU 100 0.933 -1.304 -1.877 659 2HD1 LEU 100 2HD1 LEU 100 1.973 -2.464 -2.703 660 3HD1 LEU 100 3HD1 LEU 100 1.244 -1.137 -3.605 661 1HD2 LEU 100 1HD2 LEU 100 3.722 0.311 -0.593 662 2HD2 LEU 100 2HD2 LEU 100 3.847 -1.447 -0.664 663 3HD2 LEU 100 3HD2 LEU 100 2.298 -0.687 -0.302 664 H VAL 101 H VAL 101 4.678 -2.524 -5.792 665 HA VAL 101 HA VAL 101 2.158 -2.509 -7.312 666 HB VAL 101 HB VAL 101 4.595 -4.202 -7.874 667 1HG1 VAL 101 1HG1 VAL 101 3.480 -5.028 -9.633 668 2HG1 VAL 101 2HG1 VAL 101 2.778 -3.464 -10.048 669 3HG1 VAL 101 3HG1 VAL 101 2.040 -4.457 -8.792 670 1HG2 VAL 101 1HG2 VAL 101 4.162 -2.055 -9.759 671 2HG2 VAL 101 2HG2 VAL 101 5.627 -2.507 -8.886 672 3HG2 VAL 101 3HG2 VAL 101 4.449 -1.431 -8.134 673 H ILE 102 H ILE 102 0.651 -3.654 -6.284 674 HA ILE 102 HA ILE 102 1.441 -6.047 -4.776 675 HB ILE 102 HB ILE 102 -0.849 -5.941 -3.824 676 1HG1 ILE 102 2HG1 ILE 102 -2.005 -3.642 -4.227 677 2HG1 ILE 102 1HG1 ILE 102 -1.040 -3.597 -5.697 678 1HG2 ILE 102 1HG2 ILE 102 0.118 -4.760 -2.209 679 2HG2 ILE 102 2HG2 ILE 102 -0.201 -3.273 -3.102 680 3HG2 ILE 102 3HG2 ILE 102 1.309 -4.148 -3.356 681 1HD1 ILE 102 1HD1 ILE 102 -3.519 -4.726 -5.430 682 2HD1 ILE 102 2HD1 ILE 102 -2.439 -6.117 -5.341 683 3HD1 ILE 102 3HD1 ILE 102 -2.374 -5.038 -6.733 684 H SER 103 H SER 103 -0.224 -7.848 -4.819 685 HA SER 103 HA SER 103 -1.396 -8.200 -7.484 686 1HB SER 103 2HB SER 103 0.919 -9.541 -6.548 687 2HB SER 103 1HB SER 103 -0.390 -10.723 -6.551 688 HG SER 103 HG SER 103 -0.756 -10.245 -8.725 689 H ARG 104 H ARG 104 -3.506 -8.177 -6.938 690 HA ARG 104 HA ARG 104 -4.373 -9.937 -4.739 691 1HB ARG 104 2HB ARG 104 -6.409 -8.549 -4.637 692 2HB ARG 104 1HB ARG 104 -4.952 -7.611 -4.348 693 1HG ARG 104 2HG ARG 104 -5.467 -6.229 -5.995 694 2HG ARG 104 1HG ARG 104 -5.553 -7.569 -7.140 695 1HD ARG 104 2HD ARG 104 -7.815 -7.748 -6.971 696 2HD ARG 104 1HD ARG 104 -7.843 -7.209 -5.293 697 HE ARG 104 HE ARG 104 -8.267 -5.607 -7.570 698 1HH1 ARG 104 1HH1 ARG 104 -6.651 -5.536 -4.479 699 2HH1 ARG 104 2HH1 ARG 104 -6.762 -3.814 -4.320 700 1HH2 ARG 104 1HH2 ARG 104 -8.412 -3.342 -7.364 701 2HH2 ARG 104 2HH2 ARG 104 -7.761 -2.570 -5.958 702 H ASN 105 H ASN 105 -5.460 -11.711 -5.254 703 HA ASN 105 HA ASN 105 -6.150 -12.294 -7.961 704 1HB ASN 105 2HB ASN 105 -7.129 -14.394 -6.948 705 2HB ASN 105 1HB ASN 105 -5.420 -14.122 -6.617 706 1HD2 ASN 105 1HD2 ASN 105 -8.644 -13.591 -5.266 707 2HD2 ASN 105 2HD2 ASN 105 -8.172 -13.785 -3.610 708 HA PRO 106 HA PRO 106 -10.333 -10.853 -7.854 709 1HB PRO 106 2HB PRO 106 -11.293 -12.026 -10.058 710 2HB PRO 106 1HB PRO 106 -10.044 -10.777 -10.150 711 1HG PRO 106 2HG PRO 106 -9.780 -13.741 -10.382 712 2HG PRO 106 1HG PRO 106 -8.945 -12.466 -11.283 713 1HD PRO 106 2HD PRO 106 -7.895 -13.852 -9.117 714 2HD PRO 106 1HD PRO 106 -7.311 -12.285 -9.707 Start of MODEL 6 1 1H SER 16 1HT SER 16 -8.422 -13.375 -11.237 2 2H SER 16 2HT SER 16 -8.687 -14.081 -12.778 3 3H SER 16 3HT SER 16 -7.414 -14.650 -11.778 4 HA SER 16 HA SER 16 -10.298 -14.841 -11.231 5 1HB SER 16 2HB SER 16 -8.298 -16.557 -12.556 6 2HB SER 16 1HB SER 16 -9.273 -17.377 -11.335 7 HG SER 16 HG SER 16 -11.051 -17.047 -12.500 8 HA PRO 17 HA PRO 17 -9.812 -15.681 -6.943 9 1HB PRO 17 2HB PRO 17 -10.029 -18.528 -6.922 10 2HB PRO 17 1HB PRO 17 -11.280 -17.343 -6.544 11 1HG PRO 17 2HG PRO 17 -10.772 -18.815 -9.061 12 2HG PRO 17 1HG PRO 17 -12.291 -18.166 -8.420 13 1HD PRO 17 2HD PRO 17 -11.040 -17.015 -10.491 14 2HD PRO 17 1HD PRO 17 -11.884 -16.043 -9.266 15 H THR 18 H THR 18 -8.081 -18.072 -8.949 16 HA THR 18 HA THR 18 -6.073 -18.382 -6.916 17 HB THR 18 HB THR 18 -5.432 -19.585 -9.487 18 HG1 THR 18 1HG THR 18 -7.861 -20.351 -8.242 19 1HG2 THR 18 1HG2 THR 18 -5.719 -21.679 -7.973 20 2HG2 THR 18 2HG2 THR 18 -5.733 -20.491 -6.669 21 3HG2 THR 18 3HG2 THR 18 -4.343 -20.599 -7.749 22 HA PRO 19 HA PRO 19 -3.312 -16.344 -10.275 23 1HB PRO 19 2HB PRO 19 -5.065 -15.317 -12.363 24 2HB PRO 19 1HB PRO 19 -3.700 -16.428 -12.503 25 1HG PRO 19 2HG PRO 19 -6.271 -17.200 -12.893 26 2HG PRO 19 1HG PRO 19 -5.020 -18.289 -12.265 27 1HD PRO 19 2HD PRO 19 -7.151 -16.795 -10.782 28 2HD PRO 19 1HD PRO 19 -6.589 -18.462 -10.563 29 H VAL 20 H VAL 20 -3.249 -14.823 -8.549 30 HA VAL 20 HA VAL 20 -4.907 -12.729 -8.001 31 HB VAL 20 HB VAL 20 -2.890 -11.481 -7.218 32 1HG1 VAL 20 1HG1 VAL 20 -2.679 -14.336 -6.342 33 2HG1 VAL 20 2HG1 VAL 20 -4.105 -13.372 -5.966 34 3HG1 VAL 20 3HG1 VAL 20 -2.519 -12.864 -5.384 35 1HG2 VAL 20 1HG2 VAL 20 -1.366 -13.873 -8.237 36 2HG2 VAL 20 2HG2 VAL 20 -0.706 -12.473 -7.396 37 3HG2 VAL 20 3HG2 VAL 20 -1.381 -12.292 -9.016 38 H GLU 21 H GLU 21 -4.396 -10.341 -8.377 39 HA GLU 21 HA GLU 21 -3.614 -9.873 -11.175 40 1HB GLU 21 2HB GLU 21 -6.211 -9.556 -10.039 41 2HB GLU 21 1HB GLU 21 -5.586 -7.957 -10.418 42 1HG GLU 21 2HG GLU 21 -4.948 -9.325 -12.673 43 2HG GLU 21 1HG GLU 21 -6.448 -10.118 -12.193 44 H LEU 22 H LEU 22 -2.019 -8.451 -11.327 45 HA LEU 22 HA LEU 22 -0.933 -7.090 -9.141 46 1HB LEU 22 2HB LEU 22 -0.566 -6.989 -12.090 47 2HB LEU 22 1HB LEU 22 0.129 -5.700 -11.125 48 HG LEU 22 HG LEU 22 0.697 -8.637 -10.754 49 1HD1 LEU 22 1HD1 LEU 22 1.545 -7.374 -12.869 50 2HD1 LEU 22 2HD1 LEU 22 2.658 -8.379 -11.941 51 3HD1 LEU 22 3HD1 LEU 22 2.675 -6.627 -11.740 52 1HD2 LEU 22 1HD2 LEU 22 1.312 -7.929 -8.717 53 2HD2 LEU 22 2HD2 LEU 22 1.298 -6.233 -9.193 54 3HD2 LEU 22 3HD2 LEU 22 2.705 -7.236 -9.545 55 H HIS 23 H HIS 23 -0.850 -4.877 -8.620 56 HA HIS 23 HA HIS 23 -2.596 -3.008 -9.953 57 1HB HIS 23 2HB HIS 23 -3.250 -4.140 -7.252 58 2HB HIS 23 1HB HIS 23 -3.719 -2.495 -7.661 59 HD1 HIS 23 1HD HIS 23 -4.600 -2.982 -10.594 60 HD2 HIS 23 2HD HIS 23 -5.679 -5.368 -7.368 61 HE1 HIS 23 1HE HIS 23 -6.727 -4.129 -11.290 62 HE2 HIS 23 2HE HIS 23 -7.414 -5.491 -9.283 63 H LYS 24 H LYS 24 -1.247 -1.340 -10.137 64 HA LYS 24 HA LYS 24 0.853 -0.811 -8.276 65 1HB LYS 24 2HB LYS 24 -0.039 0.222 -10.847 66 2HB LYS 24 1HB LYS 24 0.475 1.515 -9.770 67 1HG LYS 24 2HG LYS 24 2.649 0.761 -9.683 68 2HG LYS 24 1HG LYS 24 2.204 -0.892 -10.114 69 1HD LYS 24 2HD LYS 24 2.937 -0.350 -12.163 70 2HD LYS 24 1HD LYS 24 1.403 0.509 -12.321 71 1HE LYS 24 2HE LYS 24 2.416 2.576 -11.670 72 2HE LYS 24 1HE LYS 24 3.919 1.762 -11.238 73 1HZ LYS 24 1HZ LYS 24 3.873 1.042 -13.713 74 2HZ LYS 24 2HZ LYS 24 4.406 2.595 -13.304 75 3HZ LYS 24 3HZ LYS 24 2.840 2.370 -13.903 76 H VAL 25 H VAL 25 0.503 -0.007 -6.307 77 HA VAL 25 HA VAL 25 -1.647 1.983 -5.993 78 HB VAL 25 HB VAL 25 -0.972 0.841 -3.463 79 1HG1 VAL 25 1HG1 VAL 25 -3.185 1.791 -4.767 80 2HG1 VAL 25 2HG1 VAL 25 -3.177 1.017 -3.183 81 3HG1 VAL 25 3HG1 VAL 25 -3.531 0.067 -4.626 82 1HG2 VAL 25 1HG2 VAL 25 -0.214 -1.094 -4.870 83 2HG2 VAL 25 2HG2 VAL 25 -1.875 -1.244 -5.442 84 3HG2 VAL 25 3HG2 VAL 25 -1.510 -1.464 -3.731 85 H THR 26 H THR 26 -1.272 3.814 -4.891 86 HA THR 26 HA THR 26 1.351 4.202 -3.638 87 HB THR 26 HB THR 26 0.026 6.098 -5.592 88 HG1 THR 26 1HG THR 26 1.194 4.327 -6.511 89 1HG2 THR 26 1HG2 THR 26 1.917 7.548 -5.344 90 2HG2 THR 26 2HG2 THR 26 2.656 6.452 -4.176 91 3HG2 THR 26 3HG2 THR 26 1.167 7.304 -3.767 92 H LEU 27 H LEU 27 0.768 4.463 -1.547 93 HA LEU 27 HA LEU 27 -1.625 6.048 -0.946 94 1HB LEU 27 2HB LEU 27 -0.024 4.316 0.927 95 2HB LEU 27 1HB LEU 27 -1.595 5.029 1.236 96 HG LEU 27 HG LEU 27 -0.938 2.771 -0.646 97 1HD1 LEU 27 1HD1 LEU 27 -2.951 1.881 0.831 98 2HD1 LEU 27 2HD1 LEU 27 -2.301 3.059 1.971 99 3HD1 LEU 27 3HD1 LEU 27 -1.273 1.762 1.363 100 1HD2 LEU 27 1HD2 LEU 27 -3.181 4.674 -0.680 101 2HD2 LEU 27 2HD2 LEU 27 -3.634 2.970 -0.748 102 3HD2 LEU 27 3HD2 LEU 27 -2.544 3.644 -1.961 103 H TYR 28 H TYR 28 -1.467 7.211 1.241 104 HA TYR 28 HA TYR 28 1.111 8.578 1.538 105 1HB TYR 28 2HB TYR 28 -1.478 10.106 1.659 106 2HB TYR 28 1HB TYR 28 0.156 10.731 1.483 107 HD1 TYR 28 1HD TYR 28 1.366 10.346 -0.710 108 HD2 TYR 28 2HD TYR 28 -2.799 9.620 -0.228 109 HE1 TYR 28 1HE TYR 28 1.074 10.421 -3.152 110 HE2 TYR 28 2HE TYR 28 -3.100 9.691 -2.668 111 HH TYR 28 HH TYR 28 -2.012 10.564 -4.632 112 H LYS 29 H LYS 29 1.759 8.486 3.593 113 HA LYS 29 HA LYS 29 -0.257 7.991 5.670 114 1HB LYS 29 2HB LYS 29 1.499 6.297 5.470 115 2HB LYS 29 1HB LYS 29 2.731 7.529 5.708 116 1HG LYS 29 2HG LYS 29 1.708 7.970 7.958 117 2HG LYS 29 1HG LYS 29 0.710 6.539 7.701 118 1HD LYS 29 2HD LYS 29 2.378 5.206 8.328 119 2HD LYS 29 1HD LYS 29 3.456 5.925 7.129 120 1HE LYS 29 2HE LYS 29 4.505 7.173 8.665 121 2HE LYS 29 1HE LYS 29 2.997 7.632 9.453 122 1HZ LYS 29 1HZ LYS 29 3.890 4.884 9.832 123 2HZ LYS 29 2HZ LYS 29 3.145 5.941 10.923 124 3HZ LYS 29 3HZ LYS 29 4.799 6.086 10.603 125 H ASP 30 H ASP 30 -0.159 9.086 7.669 126 HA ASP 30 HA ASP 30 1.267 11.665 7.567 127 1HB ASP 30 2HB ASP 30 -1.514 10.997 8.490 128 2HB ASP 30 1HB ASP 30 -0.676 12.412 9.120 129 H SER 31 H SER 31 1.833 12.582 9.661 130 HA SER 31 HA SER 31 3.205 10.787 11.298 131 1HB SER 31 2HB SER 31 3.026 12.886 12.948 132 2HB SER 31 1HB SER 31 4.074 12.894 11.529 133 HG SER 31 HG SER 31 2.841 14.346 10.630 134 H GLY 32 H GLY 32 -0.083 11.921 11.437 135 1HA GLY 32 2HA GLY 32 -0.505 11.011 14.151 136 2HA GLY 32 1HA GLY 32 -1.724 11.653 13.063 137 H MET 33 H MET 33 -0.828 9.683 10.962 138 HA MET 33 HA MET 33 -2.610 7.567 11.774 139 1HB MET 33 2HB MET 33 -1.028 7.967 9.230 140 2HB MET 33 1HB MET 33 -2.216 6.696 9.484 141 1HG MET 33 2HG MET 33 -3.181 9.413 10.018 142 2HG MET 33 1HG MET 33 -2.736 9.092 8.344 143 1HE MET 33 1HE MET 33 -5.962 9.422 10.113 144 2HE MET 33 2HE MET 33 -6.675 8.898 8.587 145 3HE MET 33 3HE MET 33 -5.317 10.024 8.585 146 H GLU 34 H GLU 34 -2.093 5.572 12.447 147 HA GLU 34 HA GLU 34 0.646 5.001 13.101 148 1HB GLU 34 2HB GLU 34 -1.911 3.442 13.474 149 2HB GLU 34 1HB GLU 34 -0.338 2.847 13.989 150 1HG GLU 34 2HG GLU 34 -0.310 4.140 15.806 151 2HG GLU 34 1HG GLU 34 -0.941 5.539 14.938 152 H ASP 35 H ASP 35 -1.245 4.526 10.375 153 HA ASP 35 HA ASP 35 0.771 2.857 9.166 154 1HB ASP 35 2HB ASP 35 -0.748 1.083 8.461 155 2HB ASP 35 1HB ASP 35 -0.728 1.192 10.219 156 H PHE 36 H PHE 36 -0.505 2.141 6.848 157 HA PHE 36 HA PHE 36 -1.011 4.767 5.666 158 1HB PHE 36 2HB PHE 36 0.125 2.221 4.698 159 2HB PHE 36 1HB PHE 36 -0.870 3.094 3.536 160 HD1 PHE 36 1HD PHE 36 -0.211 5.298 2.741 161 HD2 PHE 36 2HD PHE 36 2.231 3.094 5.440 162 HE1 PHE 36 1HE PHE 36 1.682 6.789 2.240 163 HE2 PHE 36 2HE PHE 36 4.129 4.580 4.944 164 HZ PHE 36 HZ PHE 36 3.855 6.431 3.343 165 H GLY 37 H GLY 37 -3.047 3.354 7.218 166 1HA GLY 37 2HA GLY 37 -5.345 3.240 7.069 167 2HA GLY 37 1HA GLY 37 -5.217 3.700 5.380 168 H PHE 38 H PHE 38 -3.432 0.951 6.543 169 HA PHE 38 HA PHE 38 -5.385 -1.018 6.146 170 1HB PHE 38 2HB PHE 38 -5.116 -1.768 3.974 171 2HB PHE 38 1HB PHE 38 -5.022 -0.027 3.771 172 HD1 PHE 38 1HD PHE 38 -3.681 -2.978 2.712 173 HD2 PHE 38 2HD PHE 38 -2.434 0.847 4.097 174 HE1 PHE 38 1HE PHE 38 -1.545 -3.257 1.534 175 HE2 PHE 38 2HE PHE 38 -0.288 0.572 2.921 176 HZ PHE 38 HZ PHE 38 0.154 -1.486 1.631 177 H SER 39 H SER 39 -4.709 -2.572 7.420 178 HA SER 39 HA SER 39 -1.871 -2.908 7.942 179 1HB SER 39 2HB SER 39 -4.396 -3.691 9.283 180 2HB SER 39 1HB SER 39 -3.030 -4.787 9.493 181 HG SER 39 HG SER 39 -2.718 -3.361 11.075 182 H VAL 40 H VAL 40 -0.719 -4.804 7.626 183 HA VAL 40 HA VAL 40 -1.902 -6.641 5.661 184 HB VAL 40 HB VAL 40 0.385 -7.173 4.973 185 1HG1 VAL 40 1HG1 VAL 40 -0.303 -5.566 3.545 186 2HG1 VAL 40 2HG1 VAL 40 0.951 -4.623 4.352 187 3HG1 VAL 40 3HG1 VAL 40 -0.735 -4.450 4.840 188 1HG2 VAL 40 1HG2 VAL 40 2.281 -5.896 5.811 189 2HG2 VAL 40 2HG2 VAL 40 1.498 -6.778 7.123 190 3HG2 VAL 40 3HG2 VAL 40 1.225 -5.045 6.938 191 H ALA 41 H ALA 41 -0.828 -8.874 5.696 192 HA ALA 41 HA ALA 41 -0.307 -9.789 8.436 193 1HB ALA 41 1HB ALA 41 -2.760 -10.137 7.219 194 2HB ALA 41 2HB ALA 41 -2.135 -11.059 8.586 195 3HB ALA 41 3HB ALA 41 -1.943 -11.676 6.945 196 H ASP 42 H ASP 42 0.733 -11.880 8.550 197 HA ASP 42 HA ASP 42 2.708 -12.221 6.518 198 1HB ASP 42 2HB ASP 42 3.375 -14.218 7.918 199 2HB ASP 42 1HB ASP 42 3.365 -12.676 8.767 200 H GLY 43 H GLY 43 2.976 -13.889 5.053 201 1HA GLY 43 2HA GLY 43 0.593 -15.592 4.645 202 2HA GLY 43 1HA GLY 43 1.511 -14.891 3.322 203 H LEU 44 H LEU 44 1.102 -17.587 5.295 204 HA LEU 44 HA LEU 44 3.776 -18.626 4.790 205 1HB LEU 44 2HB LEU 44 3.064 -20.529 6.195 206 2HB LEU 44 1HB LEU 44 2.946 -18.983 7.015 207 HG LEU 44 HG LEU 44 0.423 -19.378 5.874 208 1HD1 LEU 44 1HD1 LEU 44 1.680 -21.931 6.699 209 2HD1 LEU 44 2HD1 LEU 44 0.437 -21.615 5.488 210 3HD1 LEU 44 3HD1 LEU 44 0.014 -21.644 7.202 211 1HD2 LEU 44 1HD2 LEU 44 1.431 -19.783 8.687 212 2HD2 LEU 44 2HD2 LEU 44 -0.271 -19.662 8.239 213 3HD2 LEU 44 3HD2 LEU 44 0.808 -18.290 7.984 214 H LEU 45 H LEU 45 0.529 -18.942 3.704 215 HA LEU 45 HA LEU 45 1.010 -21.399 2.255 216 1HB LEU 45 2HB LEU 45 -1.249 -20.135 3.243 217 2HB LEU 45 1HB LEU 45 -1.389 -19.926 1.508 218 HG LEU 45 HG LEU 45 -1.092 -22.559 2.958 219 1HD1 LEU 45 1HD1 LEU 45 -3.289 -21.682 3.286 220 2HD1 LEU 45 2HD1 LEU 45 -3.386 -22.940 2.054 221 3HD1 LEU 45 3HD1 LEU 45 -3.425 -21.240 1.585 222 1HD2 LEU 45 1HD2 LEU 45 -0.076 -23.003 0.945 223 2HD2 LEU 45 2HD2 LEU 45 -1.039 -21.809 0.071 224 3HD2 LEU 45 3HD2 LEU 45 -1.763 -23.343 0.555 225 H GLU 46 H GLU 46 1.850 -18.247 1.723 226 HA GLU 46 HA GLU 46 2.296 -18.748 -1.094 227 1HB GLU 46 2HB GLU 46 0.957 -16.152 -0.428 228 2HB GLU 46 1HB GLU 46 1.079 -16.971 -1.977 229 1HG GLU 46 2HG GLU 46 -0.514 -18.656 -1.218 230 2HG GLU 46 1HG GLU 46 -0.629 -17.845 0.343 231 H LYS 47 H LYS 47 3.858 -18.332 1.374 232 HA LYS 47 HA LYS 47 5.461 -16.906 2.293 233 1HB LYS 47 2HB LYS 47 6.171 -18.046 -0.306 234 2HB LYS 47 1HB LYS 47 7.181 -16.684 0.160 235 1HG LYS 47 2HG LYS 47 6.913 -18.352 2.428 236 2HG LYS 47 1HG LYS 47 7.294 -19.383 1.048 237 1HD LYS 47 2HD LYS 47 9.308 -18.272 0.627 238 2HD LYS 47 1HD LYS 47 8.834 -16.862 1.577 239 1HE LYS 47 2HE LYS 47 10.137 -17.783 3.160 240 2HE LYS 47 1HE LYS 47 8.735 -18.811 3.458 241 1HZ LYS 47 1HZ LYS 47 11.093 -19.830 3.042 242 2HZ LYS 47 2HZ LYS 47 10.665 -19.646 1.416 243 3HZ LYS 47 3HZ LYS 47 9.704 -20.588 2.441 244 H GLY 48 H GLY 48 4.549 -14.886 2.687 245 1HA GLY 48 2HA GLY 48 5.696 -12.652 1.637 246 2HA GLY 48 1HA GLY 48 4.309 -12.926 0.593 247 H VAL 49 H VAL 49 3.417 -10.935 1.286 248 HA VAL 49 HA VAL 49 1.966 -11.188 3.813 249 HB VAL 49 HB VAL 49 3.363 -8.619 3.057 250 1HG1 VAL 49 1HG1 VAL 49 2.380 -7.663 4.847 251 2HG1 VAL 49 2HG1 VAL 49 2.459 -9.138 5.812 252 3HG1 VAL 49 3HG1 VAL 49 1.182 -8.937 4.613 253 1HG2 VAL 49 1HG2 VAL 49 4.731 -9.192 5.160 254 2HG2 VAL 49 2HG2 VAL 49 5.144 -9.998 3.647 255 3HG2 VAL 49 3HG2 VAL 49 4.205 -10.851 4.872 256 H TYR 50 H TYR 50 -0.074 -10.367 3.764 257 HA TYR 50 HA TYR 50 -0.885 -8.914 1.335 258 1HB TYR 50 2HB TYR 50 -2.959 -10.604 2.568 259 2HB TYR 50 1HB TYR 50 -2.573 -10.352 0.870 260 HD1 TYR 50 1HD TYR 50 0.065 -11.327 0.487 261 HD2 TYR 50 2HD TYR 50 -2.944 -12.843 3.082 262 HE1 TYR 50 1HE TYR 50 1.118 -13.545 0.400 263 HE2 TYR 50 2HE TYR 50 -1.902 -15.066 3.003 264 HH TYR 50 HH TYR 50 -0.421 -16.363 1.667 265 H VAL 51 H VAL 51 -3.275 -8.070 1.747 266 HA VAL 51 HA VAL 51 -3.047 -6.358 4.074 267 HB VAL 51 HB VAL 51 -5.151 -6.384 1.908 268 1HG1 VAL 51 1HG1 VAL 51 -6.148 -5.263 3.680 269 2HG1 VAL 51 2HG1 VAL 51 -5.387 -3.956 2.773 270 3HG1 VAL 51 3HG1 VAL 51 -4.623 -4.577 4.236 271 1HG2 VAL 51 1HG2 VAL 51 -3.911 -4.361 1.106 272 2HG2 VAL 51 2HG2 VAL 51 -3.040 -5.884 0.920 273 3HG2 VAL 51 3HG2 VAL 51 -2.621 -4.783 2.233 274 H LYS 52 H LYS 52 -3.993 -6.740 5.946 275 HA LYS 52 HA LYS 52 -5.923 -8.890 6.178 276 1HB LYS 52 2HB LYS 52 -4.203 -8.928 7.821 277 2HB LYS 52 1HB LYS 52 -4.411 -7.222 8.181 278 1HG LYS 52 2HG LYS 52 -5.396 -8.226 9.996 279 2HG LYS 52 1HG LYS 52 -6.786 -7.936 8.952 280 1HD LYS 52 2HD LYS 52 -7.213 -10.120 8.767 281 2HD LYS 52 1HD LYS 52 -5.529 -10.489 8.390 282 1HE LYS 52 2HE LYS 52 -6.521 -9.948 11.182 283 2HE LYS 52 1HE LYS 52 -6.443 -11.563 10.478 284 1HZ LYS 52 1HZ LYS 52 -4.457 -10.455 11.859 285 2HZ LYS 52 2HZ LYS 52 -4.008 -9.995 10.295 286 3HZ LYS 52 3HZ LYS 52 -4.218 -11.632 10.666 287 H ASN 53 H ASN 53 -5.793 -5.438 6.317 288 HA ASN 53 HA ASN 53 -8.620 -5.203 6.089 289 1HB ASN 53 2HB ASN 53 -9.062 -4.030 8.204 290 2HB ASN 53 1HB ASN 53 -8.531 -5.684 8.488 291 1HD2 ASN 53 1HD2 ASN 53 -6.691 -6.055 9.602 292 2HD2 ASN 53 2HD2 ASN 53 -5.710 -4.806 10.298 293 H ILE 54 H ILE 54 -9.306 -3.089 5.614 294 HA ILE 54 HA ILE 54 -7.162 -1.095 5.331 295 HB ILE 54 HB ILE 54 -9.338 -1.599 3.307 296 1HG1 ILE 54 2HG1 ILE 54 -6.752 -2.866 3.699 297 2HG1 ILE 54 1HG1 ILE 54 -8.052 -3.296 2.590 298 1HG2 ILE 54 1HG2 ILE 54 -6.909 0.177 3.124 299 2HG2 ILE 54 2HG2 ILE 54 -8.537 0.739 3.501 300 3HG2 ILE 54 3HG2 ILE 54 -8.198 0.012 1.931 301 1HD1 ILE 54 1HD1 ILE 54 -5.777 -1.393 2.128 302 2HD1 ILE 54 2HD1 ILE 54 -7.182 -1.487 1.067 303 3HD1 ILE 54 3HD1 ILE 54 -6.138 -2.894 1.276 304 H ARG 55 H ARG 55 -7.650 0.902 6.017 305 HA ARG 55 HA ARG 55 -10.011 1.389 7.480 306 1HB ARG 55 2HB ARG 55 -7.610 2.497 7.560 307 2HB ARG 55 1HB ARG 55 -8.353 3.654 6.465 308 1HG ARG 55 2HG ARG 55 -9.750 4.485 8.063 309 2HG ARG 55 1HG ARG 55 -9.794 2.973 8.971 310 1HD ARG 55 2HD ARG 55 -7.293 3.466 9.434 311 2HD ARG 55 1HD ARG 55 -7.701 5.115 8.961 312 HE ARG 55 HE ARG 55 -9.486 4.063 10.931 313 1HH1 ARG 55 1HH1 ARG 55 -6.371 5.562 10.463 314 2HH1 ARG 55 2HH1 ARG 55 -6.314 6.234 12.057 315 1HH2 ARG 55 1HH2 ARG 55 -9.415 4.946 13.028 316 2HH2 ARG 55 2HH2 ARG 55 -8.042 5.883 13.515 317 HA PRO 56 HA PRO 56 -12.803 2.334 4.119 318 1HB PRO 56 2HB PRO 56 -14.210 3.845 6.261 319 2HB PRO 56 1HB PRO 56 -14.832 2.616 5.154 320 1HG PRO 56 2HG PRO 56 -14.374 2.035 7.712 321 2HG PRO 56 1HG PRO 56 -14.014 0.862 6.431 322 1HD PRO 56 2HD PRO 56 -12.152 2.603 7.988 323 2HD PRO 56 1HD PRO 56 -11.930 0.935 7.420 324 H ALA 57 H ALA 57 -12.998 3.982 2.715 325 HA ALA 57 HA ALA 57 -12.359 5.930 1.687 326 1HB ALA 57 1HB ALA 57 -14.348 6.845 2.270 327 2HB ALA 57 2HB ALA 57 -13.289 7.943 3.155 328 3HB ALA 57 3HB ALA 57 -14.078 6.610 3.997 329 H GLY 58 H GLY 58 -10.278 4.853 3.409 330 1HA GLY 58 2HA GLY 58 -9.028 7.299 4.462 331 2HA GLY 58 1HA GLY 58 -8.538 5.653 4.844 332 HA PRO 59 HA PRO 59 -5.580 7.480 1.690 333 1HB PRO 59 2HB PRO 59 -3.412 6.191 2.833 334 2HB PRO 59 1HB PRO 59 -3.893 7.856 3.174 335 1HG PRO 59 2HG PRO 59 -4.436 5.367 4.731 336 2HG PRO 59 1HG PRO 59 -4.039 6.994 5.315 337 1HD PRO 59 2HD PRO 59 -6.552 6.044 5.378 338 2HD PRO 59 1HD PRO 59 -6.212 7.754 5.044 339 H GLY 60 H GLY 60 -5.937 4.260 3.098 340 1HA GLY 60 2HA GLY 60 -4.684 2.879 0.935 341 2HA GLY 60 1HA GLY 60 -5.677 2.157 2.192 342 H ASP 61 H ASP 61 -8.077 3.499 1.802 343 HA ASP 61 HA ASP 61 -9.124 2.074 -0.435 344 1HB ASP 61 2HB ASP 61 -10.264 2.773 1.834 345 2HB ASP 61 1HB ASP 61 -10.659 4.245 0.951 346 H LEU 62 H LEU 62 -8.155 5.360 0.216 347 HA LEU 62 HA LEU 62 -9.322 6.495 -2.116 348 1HB LEU 62 2HB LEU 62 -7.209 7.425 -0.192 349 2HB LEU 62 1HB LEU 62 -7.638 8.364 -1.610 350 HG LEU 62 HG LEU 62 -9.689 7.537 0.428 351 1HD1 LEU 62 1HD1 LEU 62 -7.594 9.047 1.148 352 2HD1 LEU 62 2HD1 LEU 62 -9.221 9.275 1.789 353 3HD1 LEU 62 3HD1 LEU 62 -8.640 10.294 0.471 354 1HD2 LEU 62 1HD2 LEU 62 -10.039 8.525 -2.048 355 2HD2 LEU 62 2HD2 LEU 62 -9.890 10.029 -1.137 356 3HD2 LEU 62 3HD2 LEU 62 -11.132 8.855 -0.703 357 H GLY 63 H GLY 63 -6.326 4.888 -1.376 358 1HA GLY 63 2HA GLY 63 -4.897 5.750 -3.695 359 2HA GLY 63 1HA GLY 63 -4.470 4.401 -2.652 360 H GLY 64 H GLY 64 -6.326 2.576 -2.872 361 1HA GLY 64 2HA GLY 64 -7.811 1.922 -4.942 362 2HA GLY 64 1HA GLY 64 -6.236 1.881 -5.715 363 H LEU 65 H LEU 65 -5.125 0.897 -3.023 364 HA LEU 65 HA LEU 65 -5.314 -1.876 -3.679 365 1HB LEU 65 2HB LEU 65 -3.922 -2.198 -1.624 366 2HB LEU 65 1HB LEU 65 -3.231 -1.134 -2.832 367 HG LEU 65 HG LEU 65 -4.405 0.717 -1.302 368 1HD1 LEU 65 1HD1 LEU 65 -4.284 -1.723 0.337 369 2HD1 LEU 65 2HD1 LEU 65 -5.317 -0.301 0.484 370 3HD1 LEU 65 3HD1 LEU 65 -3.662 -0.256 1.092 371 1HD2 LEU 65 1HD2 LEU 65 -2.256 1.281 -1.316 372 2HD2 LEU 65 2HD2 LEU 65 -1.767 -0.391 -1.588 373 3HD2 LEU 65 3HD2 LEU 65 -2.013 0.198 0.054 374 H LYS 66 H LYS 66 -6.511 -3.447 -2.811 375 HA LYS 66 HA LYS 66 -8.279 -2.742 -0.557 376 1HB LYS 66 2HB LYS 66 -8.827 -4.182 -3.126 377 2HB LYS 66 1HB LYS 66 -9.768 -4.588 -1.699 378 1HG LYS 66 2HG LYS 66 -9.920 -1.876 -1.681 379 2HG LYS 66 1HG LYS 66 -9.865 -2.217 -3.412 380 1HD LYS 66 2HD LYS 66 -11.733 -3.799 -3.136 381 2HD LYS 66 1HD LYS 66 -11.803 -3.395 -1.420 382 1HE LYS 66 2HE LYS 66 -12.820 -1.417 -1.795 383 2HE LYS 66 1HE LYS 66 -11.896 -1.104 -3.263 384 1HZ LYS 66 1HZ LYS 66 -13.848 -1.515 -4.255 385 2HZ LYS 66 2HZ LYS 66 -14.478 -2.372 -2.939 386 3HZ LYS 66 3HZ LYS 66 -13.444 -3.143 -4.034 387 HA PRO 67 HA PRO 67 -7.174 -6.205 1.944 388 1HB PRO 67 2HB PRO 67 -9.738 -7.529 1.138 389 2HB PRO 67 1HB PRO 67 -9.022 -7.356 2.745 390 1HG PRO 67 2HG PRO 67 -11.019 -5.773 1.983 391 2HG PRO 67 1HG PRO 67 -9.671 -5.137 2.944 392 1HD PRO 67 2HD PRO 67 -10.297 -4.742 0.070 393 2HD PRO 67 1HD PRO 67 -9.450 -3.668 1.199 394 H TYR 68 H TYR 68 -6.092 -8.114 1.738 395 HA TYR 68 HA TYR 68 -5.303 -10.063 0.847 396 1HB TYR 68 2HB TYR 68 -7.551 -9.585 -1.035 397 2HB TYR 68 1HB TYR 68 -6.244 -10.615 -1.599 398 HD1 TYR 68 1HD TYR 68 -9.358 -10.850 -0.378 399 HD2 TYR 68 2HD TYR 68 -5.445 -12.186 0.620 400 HE1 TYR 68 1HE TYR 68 -10.327 -12.739 0.858 401 HE2 TYR 68 2HE TYR 68 -6.401 -14.082 1.859 402 HH TYR 68 HH TYR 68 -9.464 -15.140 1.525 403 H ASP 69 H ASP 69 -5.134 -7.015 -0.507 404 HA ASP 69 HA ASP 69 -3.619 -7.304 -2.801 405 1HB ASP 69 2HB ASP 69 -3.906 -5.173 -0.737 406 2HB ASP 69 1HB ASP 69 -2.568 -5.043 -1.874 407 H ARG 70 H ARG 70 -2.218 -9.048 -2.522 408 HA ARG 70 HA ARG 70 -0.287 -9.217 -0.466 409 1HB ARG 70 2HB ARG 70 -0.975 -11.174 -1.683 410 2HB ARG 70 1HB ARG 70 -0.435 -10.474 -3.203 411 1HG ARG 70 2HG ARG 70 1.835 -10.720 -2.633 412 2HG ARG 70 1HG ARG 70 1.457 -11.016 -0.935 413 1HD ARG 70 2HD ARG 70 2.094 -13.067 -2.167 414 2HD ARG 70 1HD ARG 70 0.477 -13.145 -1.471 415 HE ARG 70 HE ARG 70 0.035 -12.267 -3.996 416 1HH1 ARG 70 1HH1 ARG 70 1.760 -14.994 -2.667 417 2HH1 ARG 70 2HH1 ARG 70 1.456 -16.014 -4.034 418 1HH2 ARG 70 1HH2 ARG 70 -0.369 -13.607 -5.793 419 2HH2 ARG 70 2HH2 ARG 70 0.247 -15.226 -5.809 420 H LEU 71 H LEU 71 0.947 -7.408 -0.234 421 HA LEU 71 HA LEU 71 1.996 -5.798 -2.236 422 1HB LEU 71 2HB LEU 71 3.153 -6.401 0.486 423 2HB LEU 71 1HB LEU 71 3.645 -5.066 -0.539 424 HG LEU 71 HG LEU 71 0.760 -5.167 0.037 425 1HD1 LEU 71 1HD1 LEU 71 0.926 -4.381 2.295 426 2HD1 LEU 71 2HD1 LEU 71 2.686 -4.452 2.239 427 3HD1 LEU 71 3HD1 LEU 71 1.741 -5.939 2.181 428 1HD2 LEU 71 1HD2 LEU 71 2.232 -2.767 0.725 429 2HD2 LEU 71 2HD2 LEU 71 0.931 -3.001 -0.442 430 3HD2 LEU 71 3HD2 LEU 71 2.600 -3.327 -0.906 431 H LEU 72 H LEU 72 3.143 -6.521 -3.908 432 HA LEU 72 HA LEU 72 5.026 -8.692 -3.601 433 1HB LEU 72 2HB LEU 72 4.513 -7.018 -6.053 434 2HB LEU 72 1HB LEU 72 5.294 -8.584 -5.989 435 HG LEU 72 HG LEU 72 2.374 -7.973 -5.565 436 1HD1 LEU 72 1HD1 LEU 72 3.716 -9.822 -7.523 437 2HD1 LEU 72 2HD1 LEU 72 3.290 -8.149 -7.886 438 3HD1 LEU 72 3HD1 LEU 72 2.026 -9.316 -7.495 439 1HD2 LEU 72 1HD2 LEU 72 3.761 -9.913 -4.177 440 2HD2 LEU 72 2HD2 LEU 72 3.124 -10.786 -5.568 441 3HD2 LEU 72 3HD2 LEU 72 2.029 -9.906 -4.502 442 H GLN 73 H GLN 73 5.339 -5.456 -5.072 443 HA GLN 73 HA GLN 73 8.053 -5.322 -3.928 444 1HB GLN 73 2HB GLN 73 8.578 -3.875 -5.964 445 2HB GLN 73 1HB GLN 73 8.399 -5.601 -6.240 446 1HG GLN 73 2HG GLN 73 6.081 -5.202 -6.990 447 2HG GLN 73 1HG GLN 73 6.349 -3.468 -6.799 448 1HE2 GLN 73 1HE2 GLN 73 8.345 -2.658 -7.979 449 2HE2 GLN 73 2HE2 GLN 73 8.572 -3.250 -9.592 450 H VAL 74 H VAL 74 8.695 -3.422 -3.006 451 HA VAL 74 HA VAL 74 6.717 -1.238 -2.945 452 HB VAL 74 HB VAL 74 8.476 -2.091 -0.642 453 1HG1 VAL 74 1HG1 VAL 74 6.792 -0.571 0.587 454 2HG1 VAL 74 2HG1 VAL 74 6.450 0.086 -1.013 455 3HG1 VAL 74 3HG1 VAL 74 8.082 0.184 -0.350 456 1HG2 VAL 74 1HG2 VAL 74 6.299 -3.457 -1.506 457 2HG2 VAL 74 2HG2 VAL 74 5.556 -2.313 -0.387 458 3HG2 VAL 74 3HG2 VAL 74 6.833 -3.392 0.174 459 H ASN 75 H ASN 75 7.540 0.448 -3.988 460 HA ASN 75 HA ASN 75 8.946 2.111 -4.638 461 1HB ASN 75 2HB ASN 75 10.562 1.227 -2.236 462 2HB ASN 75 1HB ASN 75 10.838 2.706 -3.153 463 1HD2 ASN 75 1HD2 ASN 75 10.071 4.425 -2.194 464 2HD2 ASN 75 2HD2 ASN 75 8.639 4.506 -1.221 465 H HIS 76 H HIS 76 9.197 -0.536 -5.735 466 HA HIS 76 HA HIS 76 10.470 -1.365 -7.464 467 1HB HIS 76 2HB HIS 76 11.729 1.004 -7.165 468 2HB HIS 76 1HB HIS 76 13.014 -0.085 -6.653 469 HD1 HIS 76 1HD HIS 76 13.925 -1.759 -8.451 470 HD2 HIS 76 2HD HIS 76 11.178 1.013 -9.881 471 HE1 HIS 76 1HE HIS 76 14.119 -1.851 -10.957 472 HE2 HIS 76 2HE HIS 76 12.510 -0.104 -11.797 473 H VAL 77 H VAL 77 11.207 -1.453 -4.147 474 HA VAL 77 HA VAL 77 13.239 -3.498 -4.344 475 HB VAL 77 HB VAL 77 11.726 -2.592 -1.890 476 1HG1 VAL 77 1HG1 VAL 77 12.894 -4.778 -1.736 477 2HG1 VAL 77 2HG1 VAL 77 13.535 -3.557 -0.637 478 3HG1 VAL 77 3HG1 VAL 77 14.406 -3.955 -2.118 479 1HG2 VAL 77 1HG2 VAL 77 12.844 -0.698 -2.930 480 2HG2 VAL 77 2HG2 VAL 77 14.355 -1.603 -2.993 481 3HG2 VAL 77 3HG2 VAL 77 13.660 -1.154 -1.435 482 H ARG 78 H ARG 78 12.984 -5.660 -4.052 483 HA ARG 78 HA ARG 78 10.419 -6.788 -4.526 484 1HB ARG 78 2HB ARG 78 13.040 -8.065 -3.727 485 2HB ARG 78 1HB ARG 78 11.599 -8.968 -4.178 486 1HG ARG 78 2HG ARG 78 12.476 -8.939 -6.231 487 2HG ARG 78 1HG ARG 78 11.868 -7.283 -6.297 488 1HD ARG 78 2HD ARG 78 14.010 -6.426 -5.585 489 2HD ARG 78 1HD ARG 78 14.625 -8.063 -5.359 490 HE ARG 78 HE ARG 78 13.729 -7.652 -8.025 491 1HH1 ARG 78 1HH1 ARG 78 16.377 -6.973 -5.854 492 2HH1 ARG 78 2HH1 ARG 78 17.548 -6.846 -7.123 493 1HH2 ARG 78 1HH2 ARG 78 15.270 -7.492 -9.694 494 2HH2 ARG 78 2HH2 ARG 78 16.920 -7.141 -9.303 495 H THR 79 H THR 79 8.917 -7.510 -3.143 496 HA THR 79 HA THR 79 9.644 -8.065 -0.371 497 HB THR 79 HB THR 79 7.934 -6.646 0.554 498 HG1 THR 79 1HG THR 79 7.345 -5.799 -2.085 499 1HG2 THR 79 1HG2 THR 79 9.987 -5.462 0.221 500 2HG2 THR 79 2HG2 THR 79 8.639 -4.390 -0.160 501 3HG2 THR 79 3HG2 THR 79 9.572 -5.130 -1.461 502 H ARG 80 H ARG 80 8.763 -9.642 -2.707 503 HA ARG 80 HA ARG 80 6.059 -10.463 -2.093 504 1HB ARG 80 2HB ARG 80 8.113 -11.531 -4.033 505 2HB ARG 80 1HB ARG 80 6.496 -12.197 -3.860 506 1HG ARG 80 2HG ARG 80 5.501 -10.428 -4.894 507 2HG ARG 80 1HG ARG 80 6.738 -9.286 -4.370 508 1HD ARG 80 2HD ARG 80 6.679 -9.849 -6.845 509 2HD ARG 80 1HD ARG 80 8.241 -9.976 -6.038 510 HE ARG 80 HE ARG 80 6.766 -12.446 -6.126 511 1HH1 ARG 80 1HH1 ARG 80 9.012 -10.385 -7.826 512 2HH1 ARG 80 2HH1 ARG 80 9.674 -11.676 -8.771 513 1HH2 ARG 80 1HH2 ARG 80 7.638 -14.145 -7.368 514 2HH2 ARG 80 2HH2 ARG 80 8.895 -13.810 -8.512 515 H ASP 81 H ASP 81 9.332 -11.762 -1.740 516 HA ASP 81 HA ASP 81 8.319 -14.094 -0.315 517 1HB ASP 81 2HB ASP 81 10.815 -13.371 -1.675 518 2HB ASP 81 1HB ASP 81 11.064 -14.230 -0.159 519 H PHE 82 H PHE 82 8.581 -11.078 0.607 520 HA PHE 82 HA PHE 82 10.220 -11.287 2.957 521 1HB PHE 82 2HB PHE 82 8.406 -9.194 1.793 522 2HB PHE 82 1HB PHE 82 9.005 -9.034 3.437 523 HD1 PHE 82 1HD PHE 82 10.402 -7.180 3.255 524 HD2 PHE 82 2HD PHE 82 10.825 -10.405 0.513 525 HE1 PHE 82 1HE PHE 82 12.469 -6.169 2.394 526 HE2 PHE 82 2HE PHE 82 12.896 -9.401 -0.354 527 HZ PHE 82 HZ PHE 82 13.723 -7.279 0.585 528 H ASP 83 H ASP 83 8.954 -10.226 4.993 529 HA ASP 83 HA ASP 83 6.509 -11.805 5.419 530 1HB ASP 83 2HB ASP 83 8.979 -11.649 7.113 531 2HB ASP 83 1HB ASP 83 7.416 -11.921 7.878 532 H CYS 84 H CYS 84 5.322 -10.997 7.444 533 HA CYS 84 HA CYS 84 4.507 -8.388 7.092 534 1HB CYS 84 2HB CYS 84 3.211 -10.028 8.368 535 2HB CYS 84 1HB CYS 84 4.423 -10.013 9.643 536 HG CYS 84 HG CYS 84 2.640 -7.536 9.027 537 H CYS 85 H CYS 85 6.910 -9.629 9.395 538 HA CYS 85 HA CYS 85 7.459 -7.178 10.635 539 1HB CYS 85 2HB CYS 85 8.206 -9.729 11.111 540 2HB CYS 85 1HB CYS 85 9.686 -9.111 10.388 541 HG CYS 85 HG CYS 85 8.833 -7.252 12.564 542 H LEU 86 H LEU 86 8.271 -8.372 7.545 543 HA LEU 86 HA LEU 86 10.528 -6.546 7.200 544 1HB LEU 86 2HB LEU 86 9.996 -9.066 6.237 545 2HB LEU 86 1HB LEU 86 9.611 -8.043 4.868 546 HG LEU 86 HG LEU 86 11.848 -8.641 4.566 547 1HD1 LEU 86 1HD1 LEU 86 11.192 -6.073 4.675 548 2HD1 LEU 86 2HD1 LEU 86 12.830 -6.617 4.311 549 3HD1 LEU 86 3HD1 LEU 86 12.418 -6.087 5.942 550 1HD2 LEU 86 1HD2 LEU 86 13.560 -8.381 6.343 551 2HD2 LEU 86 2HD2 LEU 86 12.333 -9.596 6.703 552 3HD2 LEU 86 3HD2 LEU 86 12.260 -8.013 7.477 553 H VAL 87 H VAL 87 7.254 -7.112 6.050 554 HA VAL 87 HA VAL 87 7.309 -4.991 4.132 555 HB VAL 87 HB VAL 87 4.928 -6.468 5.266 556 1HG1 VAL 87 1HG1 VAL 87 3.878 -4.766 4.202 557 2HG1 VAL 87 2HG1 VAL 87 4.203 -5.756 2.780 558 3HG1 VAL 87 3HG1 VAL 87 5.266 -4.405 3.175 559 1HG2 VAL 87 1HG2 VAL 87 6.187 -8.149 4.287 560 2HG2 VAL 87 2HG2 VAL 87 6.827 -7.083 3.037 561 3HG2 VAL 87 3HG2 VAL 87 5.154 -7.630 2.955 562 H VAL 88 H VAL 88 6.212 -5.352 7.469 563 HA VAL 88 HA VAL 88 4.688 -3.031 7.656 564 HB VAL 88 HB VAL 88 6.347 -4.354 9.809 565 1HG1 VAL 88 1HG1 VAL 88 4.400 -3.112 11.169 566 2HG1 VAL 88 2HG1 VAL 88 4.618 -1.962 9.849 567 3HG1 VAL 88 3HG1 VAL 88 5.983 -2.394 10.878 568 1HG2 VAL 88 1HG2 VAL 88 4.612 -5.740 10.203 569 2HG2 VAL 88 2HG2 VAL 88 4.232 -5.401 8.513 570 3HG2 VAL 88 3HG2 VAL 88 3.406 -4.518 9.797 571 HA PRO 89 HA PRO 89 8.751 -0.696 8.950 572 1HB PRO 89 2HB PRO 89 10.873 -2.355 7.761 573 2HB PRO 89 1HB PRO 89 10.780 -1.642 9.373 574 1HG PRO 89 2HG PRO 89 10.526 -4.286 8.977 575 2HG PRO 89 1HG PRO 89 9.622 -3.437 10.245 576 1HD PRO 89 2HD PRO 89 8.697 -4.349 7.550 577 2HD PRO 89 1HD PRO 89 7.859 -4.429 9.108 578 H LEU 90 H LEU 90 9.058 -2.667 5.985 579 HA LEU 90 HA LEU 90 10.235 -0.765 4.349 580 1HB LEU 90 2HB LEU 90 8.329 -3.012 3.758 581 2HB LEU 90 1HB LEU 90 8.977 -1.999 2.484 582 HG LEU 90 HG LEU 90 10.728 -3.538 4.391 583 1HD1 LEU 90 1HD1 LEU 90 9.279 -4.409 1.965 584 2HD1 LEU 90 2HD1 LEU 90 9.804 -5.335 3.371 585 3HD1 LEU 90 3HD1 LEU 90 10.963 -4.908 2.113 586 1HD2 LEU 90 1HD2 LEU 90 12.122 -2.004 3.442 587 2HD2 LEU 90 2HD2 LEU 90 11.147 -1.857 1.980 588 3HD2 LEU 90 3HD2 LEU 90 12.191 -3.259 2.205 589 H ILE 91 H ILE 91 6.921 -1.129 5.373 590 HA ILE 91 HA ILE 91 5.801 0.716 3.502 591 HB ILE 91 HB ILE 91 4.773 -0.477 6.072 592 1HG1 ILE 91 2HG1 ILE 91 3.693 -0.823 3.281 593 2HG1 ILE 91 1HG1 ILE 91 5.016 -1.816 3.894 594 1HG2 ILE 91 1HG2 ILE 91 2.587 0.594 4.719 595 2HG2 ILE 91 2HG2 ILE 91 3.798 1.875 4.714 596 3HG2 ILE 91 3HG2 ILE 91 3.279 1.159 6.238 597 1HD1 ILE 91 1HD1 ILE 91 2.431 -2.492 4.069 598 2HD1 ILE 91 2HD1 ILE 91 2.630 -1.651 5.608 599 3HD1 ILE 91 3HD1 ILE 91 3.661 -3.027 5.214 600 H ALA 92 H ALA 92 6.651 0.919 6.949 601 HA ALA 92 HA ALA 92 6.050 3.693 7.117 602 1HB ALA 92 1HB ALA 92 6.221 1.742 8.955 603 2HB ALA 92 2HB ALA 92 6.317 3.461 9.341 604 3HB ALA 92 3HB ALA 92 7.794 2.512 9.170 605 H GLU 93 H GLU 93 8.563 2.138 5.644 606 HA GLU 93 HA GLU 93 10.611 4.048 6.444 607 1HB GLU 93 2HB GLU 93 10.583 1.428 5.085 608 2HB GLU 93 1HB GLU 93 11.817 2.555 4.539 609 1HG GLU 93 2HG GLU 93 12.515 2.819 6.921 610 2HG GLU 93 1HG GLU 93 11.397 1.519 7.330 611 H SER 94 H SER 94 8.248 3.757 4.058 612 HA SER 94 HA SER 94 9.555 4.912 1.852 613 1HB SER 94 2HB SER 94 6.673 5.501 2.254 614 2HB SER 94 1HB SER 94 7.509 4.886 0.826 615 HG SER 94 HG SER 94 7.659 2.865 1.883 616 H GLY 95 H GLY 95 8.225 6.236 4.733 617 1HA GLY 95 2HA GLY 95 8.960 8.360 5.557 618 2HA GLY 95 1HA GLY 95 9.159 8.896 3.897 619 H ASN 96 H ASN 96 6.817 8.450 2.706 620 HA ASN 96 HA ASN 96 4.553 9.176 4.282 621 1HB ASN 96 2HB ASN 96 6.079 11.296 2.828 622 2HB ASN 96 1HB ASN 96 4.321 11.392 2.847 623 1HD2 ASN 96 1HD2 ASN 96 3.498 10.774 5.211 624 2HD2 ASN 96 2HD2 ASN 96 4.225 11.736 6.455 625 H LYS 97 H LYS 97 6.104 8.928 1.151 626 HA LYS 97 HA LYS 97 3.518 8.343 -0.100 627 1HB LYS 97 2HB LYS 97 5.494 10.011 -0.950 628 2HB LYS 97 1HB LYS 97 5.927 8.528 -1.793 629 1HG LYS 97 2HG LYS 97 3.978 8.497 -3.018 630 2HG LYS 97 1HG LYS 97 3.121 9.526 -1.868 631 1HD LYS 97 2HD LYS 97 5.486 10.717 -3.182 632 2HD LYS 97 1HD LYS 97 4.086 10.416 -4.215 633 1HE LYS 97 2HE LYS 97 2.678 11.741 -2.802 634 2HE LYS 97 1HE LYS 97 3.956 11.900 -1.598 635 1HZ LYS 97 1HZ LYS 97 5.261 13.012 -3.465 636 2HZ LYS 97 2HZ LYS 97 4.002 13.896 -2.762 637 3HZ LYS 97 3HZ LYS 97 3.777 13.155 -4.265 638 H LEU 98 H LEU 98 3.059 6.236 0.012 639 HA LEU 98 HA LEU 98 5.251 4.309 -0.235 640 1HB LEU 98 2HB LEU 98 3.053 4.440 1.474 641 2HB LEU 98 1HB LEU 98 2.648 3.165 0.345 642 HG LEU 98 HG LEU 98 4.893 3.280 2.332 643 1HD1 LEU 98 1HD1 LEU 98 4.057 1.006 2.800 644 2HD1 LEU 98 2HD1 LEU 98 2.808 1.238 1.581 645 3HD1 LEU 98 3HD1 LEU 98 2.829 2.248 3.024 646 1HD2 LEU 98 1HD2 LEU 98 5.704 1.146 1.179 647 2HD2 LEU 98 2HD2 LEU 98 6.126 2.681 0.421 648 3HD2 LEU 98 3HD2 LEU 98 4.809 1.710 -0.233 649 H ASP 99 H ASP 99 5.600 4.073 -2.392 650 HA ASP 99 HA ASP 99 3.310 3.411 -4.107 651 1HB ASP 99 2HB ASP 99 4.832 5.184 -4.919 652 2HB ASP 99 1HB ASP 99 6.176 4.047 -4.860 653 H LEU 100 H LEU 100 2.890 1.313 -4.396 654 HA LEU 100 HA LEU 100 5.110 -0.557 -4.691 655 1HB LEU 100 2HB LEU 100 3.831 -2.138 -3.103 656 2HB LEU 100 1HB LEU 100 4.848 -0.884 -2.420 657 HG LEU 100 HG LEU 100 2.598 0.486 -2.377 658 1HD1 LEU 100 1HD1 LEU 100 0.684 -0.987 -1.873 659 2HD1 LEU 100 2HD1 LEU 100 1.653 -2.373 -2.370 660 3HD1 LEU 100 3HD1 LEU 100 1.237 -1.123 -3.542 661 1HD2 LEU 100 1HD2 LEU 100 2.135 -0.880 -0.132 662 2HD2 LEU 100 2HD2 LEU 100 3.485 0.242 -0.305 663 3HD2 LEU 100 3HD2 LEU 100 3.749 -1.490 -0.500 664 H VAL 101 H VAL 101 4.476 -2.658 -5.480 665 HA VAL 101 HA VAL 101 1.985 -2.568 -7.055 666 HB VAL 101 HB VAL 101 4.406 -4.271 -7.649 667 1HG1 VAL 101 1HG1 VAL 101 1.828 -4.431 -8.583 668 2HG1 VAL 101 2HG1 VAL 101 3.258 -5.075 -9.391 669 3HG1 VAL 101 3HG1 VAL 101 2.638 -3.483 -9.831 670 1HG2 VAL 101 1HG2 VAL 101 3.871 -1.433 -8.260 671 2HG2 VAL 101 2HG2 VAL 101 4.467 -2.419 -9.597 672 3HG2 VAL 101 3HG2 VAL 101 5.402 -2.294 -8.106 673 H ILE 102 H ILE 102 0.473 -3.723 -6.041 674 HA ILE 102 HA ILE 102 1.259 -6.180 -4.626 675 HB ILE 102 HB ILE 102 -0.904 -6.039 -3.501 676 1HG1 ILE 102 2HG1 ILE 102 -2.108 -3.722 -3.901 677 2HG1 ILE 102 1HG1 ILE 102 -1.332 -3.833 -5.477 678 1HG2 ILE 102 1HG2 ILE 102 -0.378 -3.387 -2.806 679 2HG2 ILE 102 2HG2 ILE 102 1.176 -4.051 -3.310 680 3HG2 ILE 102 3HG2 ILE 102 0.255 -4.838 -2.028 681 1HD1 ILE 102 1HD1 ILE 102 -2.583 -5.640 -6.118 682 2HD1 ILE 102 2HD1 ILE 102 -3.738 -4.754 -5.123 683 3HD1 ILE 102 3HD1 ILE 102 -2.893 -6.154 -4.459 684 H SER 103 H SER 103 -0.466 -7.924 -4.663 685 HA SER 103 HA SER 103 -1.904 -8.112 -7.195 686 1HB SER 103 2HB SER 103 -1.005 -10.502 -7.430 687 2HB SER 103 1HB SER 103 0.096 -9.192 -7.850 688 HG SER 103 HG SER 103 0.038 -10.351 -5.271 689 H ARG 104 H ARG 104 -3.898 -8.866 -6.842 690 HA ARG 104 HA ARG 104 -4.346 -10.806 -4.705 691 1HB ARG 104 2HB ARG 104 -6.301 -9.484 -3.876 692 2HB ARG 104 1HB ARG 104 -4.739 -8.748 -3.552 693 1HG ARG 104 2HG ARG 104 -5.157 -6.964 -4.855 694 2HG ARG 104 1HG ARG 104 -6.021 -7.918 -6.063 695 1HD ARG 104 2HD ARG 104 -7.150 -7.197 -3.364 696 2HD ARG 104 1HD ARG 104 -7.431 -6.259 -4.830 697 HE ARG 104 HE ARG 104 -8.108 -9.044 -5.079 698 1HH1 ARG 104 1HH1 ARG 104 -9.255 -5.890 -4.121 699 2HH1 ARG 104 2HH1 ARG 104 -10.924 -6.290 -4.349 700 1HH2 ARG 104 1HH2 ARG 104 -10.304 -9.569 -5.385 701 2HH2 ARG 104 2HH2 ARG 104 -11.520 -8.377 -5.066 702 H ASN 105 H ASN 105 -5.919 -12.249 -5.136 703 HA ASN 105 HA ASN 105 -6.895 -12.526 -7.752 704 1HB ASN 105 2HB ASN 105 -8.386 -14.296 -6.710 705 2HB ASN 105 1HB ASN 105 -6.658 -14.492 -6.431 706 1HD2 ASN 105 1HD2 ASN 105 -5.827 -14.196 -4.388 707 2HD2 ASN 105 2HD2 ASN 105 -6.831 -14.104 -2.979 708 HA PRO 106 HA PRO 106 -10.391 -9.764 -7.531 709 1HB PRO 106 2HB PRO 106 -11.605 -10.479 -9.840 710 2HB PRO 106 1HB PRO 106 -10.129 -9.509 -9.805 711 1HG PRO 106 2HG PRO 106 -10.455 -12.443 -10.298 712 2HG PRO 106 1HG PRO 106 -9.423 -11.274 -11.143 713 1HD PRO 106 2HD PRO 106 -8.483 -12.965 -9.237 714 2HD PRO 106 1HD PRO 106 -7.790 -11.357 -9.524 Start of MODEL 7 1 1H SER 16 1HT SER 16 -12.056 -14.280 -14.884 2 2H SER 16 2HT SER 16 -11.312 -12.745 -15.062 3 3H SER 16 3HT SER 16 -12.681 -12.923 -14.045 4 HA SER 16 HA SER 16 -10.192 -12.890 -13.190 5 1HB SER 16 2HB SER 16 -11.138 -13.997 -11.154 6 2HB SER 16 1HB SER 16 -12.178 -12.731 -11.805 7 HG SER 16 HG SER 16 -12.515 -15.440 -12.529 8 HA PRO 17 HA PRO 17 -9.491 -17.334 -14.773 9 1HB PRO 17 2HB PRO 17 -7.516 -16.763 -16.573 10 2HB PRO 17 1HB PRO 17 -9.226 -16.886 -16.996 11 1HG PRO 17 2HG PRO 17 -7.558 -14.455 -16.528 12 2HG PRO 17 1HG PRO 17 -8.837 -14.729 -17.723 13 1HD PRO 17 2HD PRO 17 -9.211 -13.310 -15.432 14 2HD PRO 17 1HD PRO 17 -10.506 -14.217 -16.237 15 H THR 18 H THR 18 -6.569 -15.408 -15.266 16 HA THR 18 HA THR 18 -4.906 -17.050 -13.795 17 HB THR 18 HB THR 18 -4.223 -14.165 -13.867 18 HG1 THR 18 1HG THR 18 -4.073 -14.096 -16.055 19 1HG2 THR 18 1HG2 THR 18 -2.850 -16.721 -14.114 20 2HG2 THR 18 2HG2 THR 18 -2.252 -15.152 -13.574 21 3HG2 THR 18 3HG2 THR 18 -2.337 -15.516 -15.296 22 HA PRO 19 HA PRO 19 -5.552 -16.239 -9.509 23 1HB PRO 19 2HB PRO 19 -2.608 -15.944 -9.224 24 2HB PRO 19 1HB PRO 19 -3.710 -17.064 -8.415 25 1HG PRO 19 2HG PRO 19 -2.068 -17.922 -10.325 26 2HG PRO 19 1HG PRO 19 -3.726 -18.544 -10.207 27 1HD PRO 19 2HD PRO 19 -2.598 -16.496 -12.077 28 2HD PRO 19 1HD PRO 19 -3.743 -17.812 -12.409 29 H VAL 20 H VAL 20 -3.491 -14.699 -7.978 30 HA VAL 20 HA VAL 20 -4.647 -12.246 -7.805 31 HB VAL 20 HB VAL 20 -2.593 -11.395 -6.805 32 1HG1 VAL 20 1HG1 VAL 20 -4.004 -12.839 -5.460 33 2HG1 VAL 20 2HG1 VAL 20 -2.305 -13.090 -5.057 34 3HG1 VAL 20 3HG1 VAL 20 -3.156 -14.261 -6.064 35 1HG2 VAL 20 1HG2 VAL 20 -1.031 -12.364 -8.464 36 2HG2 VAL 20 2HG2 VAL 20 -1.286 -13.949 -7.736 37 3HG2 VAL 20 3HG2 VAL 20 -0.536 -12.657 -6.797 38 H GLU 21 H GLU 21 -4.366 -10.211 -8.690 39 HA GLU 21 HA GLU 21 -2.828 -10.124 -11.204 40 1HB GLU 21 2HB GLU 21 -5.256 -8.457 -10.537 41 2HB GLU 21 1HB GLU 21 -4.447 -8.588 -12.093 42 1HG GLU 21 2HG GLU 21 -5.202 -11.197 -11.299 43 2HG GLU 21 1HG GLU 21 -6.589 -10.138 -11.058 44 H LEU 22 H LEU 22 -1.150 -8.792 -11.202 45 HA LEU 22 HA LEU 22 -0.468 -7.173 -9.025 46 1HB LEU 22 2HB LEU 22 0.548 -7.522 -11.800 47 2HB LEU 22 1HB LEU 22 1.116 -6.147 -10.870 48 HG LEU 22 HG LEU 22 1.359 -9.038 -10.048 49 1HD1 LEU 22 1HD1 LEU 22 3.721 -7.334 -10.578 50 2HD1 LEU 22 2HD1 LEU 22 2.800 -7.884 -11.979 51 3HD1 LEU 22 3HD1 LEU 22 3.480 -9.061 -10.853 52 1HD2 LEU 22 1HD2 LEU 22 2.032 -6.449 -8.710 53 2HD2 LEU 22 2HD2 LEU 22 3.007 -7.883 -8.395 54 3HD2 LEU 22 3HD2 LEU 22 1.280 -7.896 -8.038 55 H HIS 23 H HIS 23 -0.701 -5.043 -8.581 56 HA HIS 23 HA HIS 23 -1.746 -3.235 -10.590 57 1HB HIS 23 2HB HIS 23 -3.866 -3.217 -9.881 58 2HB HIS 23 1HB HIS 23 -3.483 -4.495 -8.736 59 HD1 HIS 23 1HD HIS 23 -3.687 -0.727 -8.951 60 HD2 HIS 23 2HD HIS 23 -3.547 -3.744 -6.099 61 HE1 HIS 23 1HE HIS 23 -4.142 0.407 -6.753 62 HE2 HIS 23 2HE HIS 23 -4.163 -1.459 -5.057 63 H LYS 24 H LYS 24 -0.792 -1.321 -10.409 64 HA LYS 24 HA LYS 24 1.075 -0.818 -8.316 65 1HB LYS 24 2HB LYS 24 1.314 -0.038 -10.693 66 2HB LYS 24 1HB LYS 24 0.047 1.139 -10.377 67 1HG LYS 24 2HG LYS 24 1.387 2.320 -8.841 68 2HG LYS 24 1HG LYS 24 2.569 1.012 -8.753 69 1HD LYS 24 2HD LYS 24 2.107 2.112 -11.444 70 2HD LYS 24 1HD LYS 24 2.850 3.225 -10.291 71 1HE LYS 24 2HE LYS 24 4.769 2.020 -10.155 72 2HE LYS 24 1HE LYS 24 3.943 0.479 -10.379 73 1HZ LYS 24 1HZ LYS 24 4.144 2.376 -12.622 74 2HZ LYS 24 2HZ LYS 24 3.978 0.693 -12.658 75 3HZ LYS 24 3HZ LYS 24 5.462 1.387 -12.238 76 H VAL 25 H VAL 25 0.881 0.372 -6.504 77 HA VAL 25 HA VAL 25 -1.536 2.002 -6.154 78 HB VAL 25 HB VAL 25 -0.691 0.646 -3.697 79 1HG1 VAL 25 1HG1 VAL 25 -2.919 1.986 -4.667 80 2HG1 VAL 25 2HG1 VAL 25 -2.774 1.153 -3.119 81 3HG1 VAL 25 3HG1 VAL 25 -3.442 0.308 -4.516 82 1HG2 VAL 25 1HG2 VAL 25 -2.080 -1.427 -4.442 83 2HG2 VAL 25 2HG2 VAL 25 -0.367 -1.329 -4.851 84 3HG2 VAL 25 3HG2 VAL 25 -1.588 -0.943 -6.064 85 H THR 26 H THR 26 -1.344 3.739 -4.755 86 HA THR 26 HA THR 26 1.317 4.271 -3.644 87 HB THR 26 HB THR 26 -0.329 6.209 -5.285 88 HG1 THR 26 1HG THR 26 2.255 5.160 -5.781 89 1HG2 THR 26 1HG2 THR 26 2.372 7.037 -4.736 90 2HG2 THR 26 2HG2 THR 26 1.446 6.849 -3.248 91 3HG2 THR 26 3HG2 THR 26 0.858 7.915 -4.525 92 H LEU 27 H LEU 27 1.102 4.633 -1.523 93 HA LEU 27 HA LEU 27 -1.442 5.743 -0.545 94 1HB LEU 27 2HB LEU 27 0.608 4.059 0.891 95 2HB LEU 27 1HB LEU 27 -0.850 4.706 1.619 96 HG LEU 27 HG LEU 27 -1.257 3.068 -0.804 97 1HD1 LEU 27 1HD1 LEU 27 -1.182 1.048 0.909 98 2HD1 LEU 27 2HD1 LEU 27 0.085 2.041 1.633 99 3HD1 LEU 27 3HD1 LEU 27 0.223 1.519 -0.046 100 1HD2 LEU 27 1HD2 LEU 27 -3.301 3.353 0.041 101 2HD2 LEU 27 2HD2 LEU 27 -2.673 3.881 1.601 102 3HD2 LEU 27 3HD2 LEU 27 -2.849 2.161 1.258 103 H TYR 28 H TYR 28 -1.223 6.952 1.567 104 HA TYR 28 HA TYR 28 1.237 8.548 1.681 105 1HB TYR 28 2HB TYR 28 -1.528 9.756 1.851 106 2HB TYR 28 1HB TYR 28 0.010 10.612 1.823 107 HD1 TYR 28 1HD TYR 28 1.495 9.863 -0.353 108 HD2 TYR 28 2HD TYR 28 -2.751 9.883 -0.090 109 HE1 TYR 28 1HE TYR 28 1.350 10.046 -2.801 110 HE2 TYR 28 2HE TYR 28 -2.906 10.067 -2.537 111 HH TYR 28 HH TYR 28 -0.461 10.991 -4.471 112 H LYS 29 H LYS 29 1.962 8.906 3.703 113 HA LYS 29 HA LYS 29 0.284 7.946 5.911 114 1HB LYS 29 2HB LYS 29 2.966 7.487 5.256 115 2HB LYS 29 1HB LYS 29 3.017 8.557 6.648 116 1HG LYS 29 2HG LYS 29 1.464 6.971 7.810 117 2HG LYS 29 1HG LYS 29 1.693 5.865 6.454 118 1HD LYS 29 2HD LYS 29 3.274 5.127 7.982 119 2HD LYS 29 1HD LYS 29 4.218 6.187 6.936 120 1HE LYS 29 2HE LYS 29 3.561 8.015 8.681 121 2HE LYS 29 1HE LYS 29 3.275 6.631 9.735 122 1HZ LYS 29 1HZ LYS 29 5.524 5.943 9.484 123 2HZ LYS 29 2HZ LYS 29 5.544 7.584 9.889 124 3HZ LYS 29 3HZ LYS 29 5.823 7.105 8.291 125 H ASP 30 H ASP 30 0.562 9.076 8.019 126 HA ASP 30 HA ASP 30 1.157 11.925 7.807 127 1HB ASP 30 2HB ASP 30 -1.359 11.359 7.367 128 2HB ASP 30 1HB ASP 30 -1.423 11.118 9.110 129 H SER 31 H SER 31 1.846 12.842 9.708 130 HA SER 31 HA SER 31 2.997 11.221 11.648 131 1HB SER 31 2HB SER 31 2.444 14.124 11.379 132 2HB SER 31 1HB SER 31 2.783 13.537 13.007 133 HG SER 31 HG SER 31 4.430 12.912 10.795 134 H GLY 32 H GLY 32 -0.259 12.342 11.372 135 1HA GLY 32 2HA GLY 32 -0.850 11.750 14.171 136 2HA GLY 32 1HA GLY 32 -1.956 12.457 13.004 137 H MET 33 H MET 33 -0.871 10.109 11.190 138 HA MET 33 HA MET 33 -3.088 8.378 11.786 139 1HB MET 33 2HB MET 33 -1.598 9.026 9.503 140 2HB MET 33 1HB MET 33 -1.265 7.325 9.802 141 1HG MET 33 2HG MET 33 -3.133 6.956 8.656 142 2HG MET 33 1HG MET 33 -3.961 7.425 10.139 143 1HE MET 33 1HE MET 33 -3.047 8.680 6.391 144 2HE MET 33 2HE MET 33 -1.881 9.303 7.557 145 3HE MET 33 3HE MET 33 -3.013 10.402 6.770 146 H GLU 34 H GLU 34 -2.925 6.092 12.117 147 HA GLU 34 HA GLU 34 -0.572 5.377 13.710 148 1HB GLU 34 2HB GLU 34 -3.438 4.599 13.757 149 2HB GLU 34 1HB GLU 34 -2.271 3.374 14.235 150 1HG GLU 34 2HG GLU 34 -2.288 6.123 15.436 151 2HG GLU 34 1HG GLU 34 -3.269 4.804 16.073 152 H ASP 35 H ASP 35 -1.889 4.857 10.674 153 HA ASP 35 HA ASP 35 0.029 2.773 10.110 154 1HB ASP 35 2HB ASP 35 -1.639 1.234 9.131 155 2HB ASP 35 1HB ASP 35 -1.870 1.438 10.864 156 H PHE 36 H PHE 36 -0.604 2.023 7.628 157 HA PHE 36 HA PHE 36 -0.535 4.557 6.172 158 1HB PHE 36 2HB PHE 36 0.953 2.184 5.957 159 2HB PHE 36 1HB PHE 36 -0.043 2.257 4.505 160 HD1 PHE 36 1HD PHE 36 -0.141 4.743 3.469 161 HD2 PHE 36 2HD PHE 36 3.027 3.135 5.811 162 HE1 PHE 36 1HE PHE 36 1.411 6.380 2.487 163 HE2 PHE 36 2HE PHE 36 4.585 4.770 4.833 164 HZ PHE 36 HZ PHE 36 3.777 6.395 3.170 165 H GLY 37 H GLY 37 -3.042 3.516 7.157 166 1HA GLY 37 2HA GLY 37 -5.195 3.641 6.299 167 2HA GLY 37 1HA GLY 37 -4.516 3.676 4.681 168 H PHE 38 H PHE 38 -3.111 1.103 6.208 169 HA PHE 38 HA PHE 38 -5.174 -0.813 6.182 170 1HB PHE 38 2HB PHE 38 -4.823 -1.965 4.139 171 2HB PHE 38 1HB PHE 38 -5.015 -0.269 3.725 172 HD1 PHE 38 1HD PHE 38 -3.737 -2.604 2.153 173 HD2 PHE 38 2HD PHE 38 -2.120 0.523 4.544 174 HE1 PHE 38 1HE PHE 38 -1.646 -2.710 0.869 175 HE2 PHE 38 2HE PHE 38 -0.025 0.421 3.261 176 HZ PHE 38 HZ PHE 38 0.215 -1.201 1.415 177 H SER 39 H SER 39 -4.546 -2.634 7.188 178 HA SER 39 HA SER 39 -1.729 -2.811 7.951 179 1HB SER 39 2HB SER 39 -4.174 -4.218 9.055 180 2HB SER 39 1HB SER 39 -2.535 -4.403 9.676 181 HG SER 39 HG SER 39 -2.565 -2.344 10.403 182 H VAL 40 H VAL 40 -0.526 -4.714 7.728 183 HA VAL 40 HA VAL 40 -1.503 -6.480 5.599 184 HB VAL 40 HB VAL 40 0.835 -7.068 5.201 185 1HG1 VAL 40 1HG1 VAL 40 0.094 -4.162 5.206 186 2HG1 VAL 40 2HG1 VAL 40 0.096 -5.301 3.860 187 3HG1 VAL 40 3HG1 VAL 40 1.622 -4.728 4.534 188 1HG2 VAL 40 1HG2 VAL 40 1.950 -4.926 6.860 189 2HG2 VAL 40 2HG2 VAL 40 2.543 -6.561 6.568 190 3HG2 VAL 40 3HG2 VAL 40 1.288 -6.281 7.774 191 H ALA 41 H ALA 41 -0.581 -8.752 5.684 192 HA ALA 41 HA ALA 41 -0.350 -9.796 8.410 193 1HB ALA 41 1HB ALA 41 -2.007 -11.590 6.939 194 2HB ALA 41 2HB ALA 41 -2.717 -9.979 6.870 195 3HB ALA 41 3HB ALA 41 -2.369 -10.722 8.431 196 H ASP 42 H ASP 42 0.237 -12.167 8.376 197 HA ASP 42 HA ASP 42 2.401 -12.542 6.508 198 1HB ASP 42 2HB ASP 42 2.242 -13.189 9.060 199 2HB ASP 42 1HB ASP 42 1.539 -14.672 8.423 200 H GLY 43 H GLY 43 2.674 -14.385 5.149 201 1HA GLY 43 2HA GLY 43 0.127 -15.667 4.372 202 2HA GLY 43 1HA GLY 43 1.284 -15.084 3.186 203 H LEU 44 H LEU 44 0.203 -17.771 4.782 204 HA LEU 44 HA LEU 44 2.771 -19.147 4.761 205 1HB LEU 44 2HB LEU 44 1.089 -19.366 6.650 206 2HB LEU 44 1HB LEU 44 0.107 -20.302 5.539 207 HG LEU 44 HG LEU 44 2.937 -21.134 6.016 208 1HD1 LEU 44 1HD1 LEU 44 0.637 -21.489 7.912 209 2HD1 LEU 44 2HD1 LEU 44 2.269 -20.915 8.254 210 3HD1 LEU 44 3HD1 LEU 44 1.994 -22.612 7.861 211 1HD2 LEU 44 1HD2 LEU 44 2.063 -22.528 4.450 212 2HD2 LEU 44 2HD2 LEU 44 0.409 -22.320 5.022 213 3HD2 LEU 44 3HD2 LEU 44 1.517 -23.378 5.896 214 H LEU 45 H LEU 45 -0.182 -18.955 2.997 215 HA LEU 45 HA LEU 45 0.335 -21.326 1.438 216 1HB LEU 45 2HB LEU 45 -1.834 -19.305 1.576 217 2HB LEU 45 1HB LEU 45 -1.647 -20.197 0.079 218 HG LEU 45 HG LEU 45 -1.927 -22.313 1.296 219 1HD1 LEU 45 1HD1 LEU 45 -2.979 -21.818 3.703 220 2HD1 LEU 45 2HD1 LEU 45 -1.821 -20.489 3.620 221 3HD1 LEU 45 3HD1 LEU 45 -1.266 -22.156 3.453 222 1HD2 LEU 45 1HD2 LEU 45 -3.919 -21.514 0.371 223 2HD2 LEU 45 2HD2 LEU 45 -4.045 -20.202 1.541 224 3HD2 LEU 45 3HD2 LEU 45 -4.335 -21.866 2.048 225 H GLU 46 H GLU 46 0.034 -17.896 0.749 226 HA GLU 46 HA GLU 46 1.383 -18.225 -1.806 227 1HB GLU 46 2HB GLU 46 0.499 -15.594 -0.660 228 2HB GLU 46 1HB GLU 46 0.666 -16.059 -2.346 229 1HG GLU 46 2HG GLU 46 -1.241 -17.794 -1.229 230 2HG GLU 46 1HG GLU 46 -1.632 -16.175 -0.654 231 H LYS 47 H LYS 47 2.678 -18.367 0.998 232 HA LYS 47 HA LYS 47 4.457 -17.428 2.154 233 1HB LYS 47 2HB LYS 47 5.166 -18.651 -0.369 234 2HB LYS 47 1HB LYS 47 6.365 -17.457 0.111 235 1HG LYS 47 2HG LYS 47 5.904 -18.841 2.441 236 2HG LYS 47 1HG LYS 47 5.807 -20.094 1.203 237 1HD LYS 47 2HD LYS 47 8.021 -20.104 0.993 238 2HD LYS 47 1HD LYS 47 8.027 -18.375 0.640 239 1HE LYS 47 2HE LYS 47 8.550 -17.802 2.775 240 2HE LYS 47 1HE LYS 47 7.671 -19.161 3.470 241 1HZ LYS 47 1HZ LYS 47 10.436 -18.939 2.850 242 2HZ LYS 47 2HZ LYS 47 9.758 -20.283 2.079 243 3HZ LYS 47 3HZ LYS 47 9.634 -20.121 3.757 244 H GLY 48 H GLY 48 3.865 -15.279 2.566 245 1HA GLY 48 2HA GLY 48 5.605 -13.292 1.811 246 2HA GLY 48 1HA GLY 48 4.291 -13.196 0.648 247 H VAL 49 H VAL 49 3.414 -11.277 1.264 248 HA VAL 49 HA VAL 49 1.974 -11.292 3.802 249 HB VAL 49 HB VAL 49 3.695 -8.947 2.985 250 1HG1 VAL 49 1HG1 VAL 49 2.760 -7.755 4.643 251 2HG1 VAL 49 2HG1 VAL 49 2.668 -9.144 5.725 252 3HG1 VAL 49 3HG1 VAL 49 1.433 -8.907 4.490 253 1HG2 VAL 49 1HG2 VAL 49 4.176 -11.222 4.852 254 2HG2 VAL 49 2HG2 VAL 49 4.823 -9.630 5.246 255 3HG2 VAL 49 3HG2 VAL 49 5.288 -10.422 3.740 256 H TYR 50 H TYR 50 0.025 -10.295 3.704 257 HA TYR 50 HA TYR 50 -0.595 -8.713 1.304 258 1HB TYR 50 2HB TYR 50 -2.855 -10.284 2.310 259 2HB TYR 50 1HB TYR 50 -2.307 -10.033 0.658 260 HD1 TYR 50 1HD TYR 50 -2.972 -12.488 2.925 261 HD2 TYR 50 2HD TYR 50 0.153 -11.269 0.309 262 HE1 TYR 50 1HE TYR 50 -2.129 -14.797 2.865 263 HE2 TYR 50 2HE TYR 50 1.005 -13.573 0.241 264 HH TYR 50 HH TYR 50 -0.779 -16.227 1.464 265 H VAL 51 H VAL 51 -2.985 -7.779 1.692 266 HA VAL 51 HA VAL 51 -2.729 -6.202 4.116 267 HB VAL 51 HB VAL 51 -4.771 -5.974 1.903 268 1HG1 VAL 51 1HG1 VAL 51 -5.215 -3.768 2.799 269 2HG1 VAL 51 2HG1 VAL 51 -4.003 -4.007 4.056 270 3HG1 VAL 51 3HG1 VAL 51 -5.471 -4.986 4.049 271 1HG2 VAL 51 1HG2 VAL 51 -3.412 -4.202 1.009 272 2HG2 VAL 51 2HG2 VAL 51 -2.421 -5.651 1.164 273 3HG2 VAL 51 3HG2 VAL 51 -2.270 -4.350 2.343 274 H LYS 52 H LYS 52 -3.770 -6.613 5.928 275 HA LYS 52 HA LYS 52 -5.823 -8.658 5.986 276 1HB LYS 52 2HB LYS 52 -5.638 -8.321 8.487 277 2HB LYS 52 1HB LYS 52 -4.183 -8.893 7.683 278 1HG LYS 52 2HG LYS 52 -3.083 -6.884 7.953 279 2HG LYS 52 1HG LYS 52 -4.582 -5.971 8.138 280 1HD LYS 52 2HD LYS 52 -3.432 -6.143 10.271 281 2HD LYS 52 1HD LYS 52 -4.945 -7.048 10.320 282 1HE LYS 52 2HE LYS 52 -2.967 -8.835 9.411 283 2HE LYS 52 1HE LYS 52 -2.268 -7.963 10.777 284 1HZ LYS 52 1HZ LYS 52 -3.338 -9.542 11.941 285 2HZ LYS 52 2HZ LYS 52 -4.465 -9.860 10.719 286 3HZ LYS 52 3HZ LYS 52 -4.678 -8.528 11.739 287 H ASN 53 H ASN 53 -5.500 -5.233 6.400 288 HA ASN 53 HA ASN 53 -8.365 -4.910 6.239 289 1HB ASN 53 2HB ASN 53 -6.858 -4.145 8.740 290 2HB ASN 53 1HB ASN 53 -8.434 -3.476 8.326 291 1HD2 ASN 53 1HD2 ASN 53 -6.685 -6.304 9.320 292 2HD2 ASN 53 2HD2 ASN 53 -8.067 -7.248 9.772 293 H ILE 54 H ILE 54 -9.029 -2.727 5.865 294 HA ILE 54 HA ILE 54 -6.863 -0.841 5.260 295 HB ILE 54 HB ILE 54 -9.176 -1.439 3.422 296 1HG1 ILE 54 2HG1 ILE 54 -6.578 -2.673 3.707 297 2HG1 ILE 54 1HG1 ILE 54 -7.917 -3.127 2.658 298 1HG2 ILE 54 1HG2 ILE 54 -6.837 0.443 3.113 299 2HG2 ILE 54 2HG2 ILE 54 -8.527 0.893 3.336 300 3HG2 ILE 54 3HG2 ILE 54 -8.021 0.075 1.857 301 1HD1 ILE 54 1HD1 ILE 54 -7.090 -1.335 1.073 302 2HD1 ILE 54 2HD1 ILE 54 -6.078 -2.768 1.250 303 3HD1 ILE 54 3HD1 ILE 54 -5.636 -1.270 2.070 304 H ARG 55 H ARG 55 -7.230 1.077 6.163 305 HA ARG 55 HA ARG 55 -9.609 1.674 7.560 306 1HB ARG 55 2HB ARG 55 -7.357 2.583 8.122 307 2HB ARG 55 1HB ARG 55 -7.444 3.594 6.687 308 1HG ARG 55 2HG ARG 55 -8.224 5.121 8.132 309 2HG ARG 55 1HG ARG 55 -9.755 4.279 7.887 310 1HD ARG 55 2HD ARG 55 -7.858 3.371 10.015 311 2HD ARG 55 1HD ARG 55 -8.916 4.753 10.302 312 HE ARG 55 HE ARG 55 -10.292 2.431 9.314 313 1HH1 ARG 55 1HH1 ARG 55 -9.098 4.048 12.167 314 2HH1 ARG 55 2HH1 ARG 55 -10.221 3.268 13.230 315 1HH2 ARG 55 1HH2 ARG 55 -11.767 1.404 10.711 316 2HH2 ARG 55 2HH2 ARG 55 -11.736 1.767 12.404 317 HA PRO 56 HA PRO 56 -12.149 2.957 4.103 318 1HB PRO 56 2HB PRO 56 -13.607 4.388 6.265 319 2HB PRO 56 1HB PRO 56 -14.221 3.273 5.038 320 1HG PRO 56 2HG PRO 56 -13.946 2.493 7.569 321 2HG PRO 56 1HG PRO 56 -13.569 1.394 6.230 322 1HD PRO 56 2HD PRO 56 -11.718 2.920 8.011 323 2HD PRO 56 1HD PRO 56 -11.545 1.288 7.334 324 H ALA 57 H ALA 57 -12.561 4.832 2.937 325 HA ALA 57 HA ALA 57 -11.817 6.810 2.036 326 1HB ALA 57 1HB ALA 57 -13.796 7.488 3.216 327 2HB ALA 57 2HB ALA 57 -12.580 8.756 3.365 328 3HB ALA 57 3HB ALA 57 -12.888 7.669 4.718 329 H GLY 58 H GLY 58 -9.680 5.387 3.340 330 1HA GLY 58 2HA GLY 58 -8.047 7.671 4.268 331 2HA GLY 58 1HA GLY 58 -7.837 6.031 4.863 332 HA PRO 59 HA PRO 59 -4.542 6.871 1.636 333 1HB PRO 59 2HB PRO 59 -3.464 4.611 3.266 334 2HB PRO 59 1HB PRO 59 -2.627 6.024 2.610 335 1HG PRO 59 2HG PRO 59 -3.259 5.906 5.191 336 2HG PRO 59 1HG PRO 59 -3.401 7.427 4.289 337 1HD PRO 59 2HD PRO 59 -5.534 5.562 5.212 338 2HD PRO 59 1HD PRO 59 -5.571 7.329 5.044 339 H GLY 60 H GLY 60 -5.366 3.641 2.928 340 1HA GLY 60 2HA GLY 60 -4.908 2.266 0.510 341 2HA GLY 60 1HA GLY 60 -5.843 1.662 1.870 342 H ASP 61 H ASP 61 -7.782 3.846 1.782 343 HA ASP 61 HA ASP 61 -9.562 2.707 -0.139 344 1HB ASP 61 2HB ASP 61 -10.105 3.775 2.173 345 2HB ASP 61 1HB ASP 61 -10.080 5.299 1.291 346 H LEU 62 H LEU 62 -7.558 5.559 0.050 347 HA LEU 62 HA LEU 62 -8.716 6.868 -2.202 348 1HB LEU 62 2HB LEU 62 -6.043 7.278 -0.862 349 2HB LEU 62 1HB LEU 62 -6.739 8.344 -2.069 350 HG LEU 62 HG LEU 62 -8.329 7.798 0.389 351 1HD1 LEU 62 1HD1 LEU 62 -6.111 8.225 1.282 352 2HD1 LEU 62 2HD1 LEU 62 -7.174 9.601 1.579 353 3HD1 LEU 62 3HD1 LEU 62 -5.974 9.676 0.289 354 1HD2 LEU 62 1HD2 LEU 62 -8.108 9.861 -1.716 355 2HD2 LEU 62 2HD2 LEU 62 -8.527 10.421 -0.097 356 3HD2 LEU 62 3HD2 LEU 62 -9.533 9.216 -0.901 357 H GLY 63 H GLY 63 -6.173 4.532 -1.728 358 1HA GLY 63 2HA GLY 63 -5.154 4.848 -4.431 359 2HA GLY 63 1HA GLY 63 -4.579 3.708 -3.225 360 H GLY 64 H GLY 64 -7.191 2.607 -2.636 361 1HA GLY 64 2HA GLY 64 -8.929 1.407 -3.790 362 2HA GLY 64 1HA GLY 64 -7.888 1.342 -5.204 363 H LEU 65 H LEU 65 -6.811 0.648 -1.937 364 HA LEU 65 HA LEU 65 -5.889 -1.954 -2.777 365 1HB LEU 65 2HB LEU 65 -5.726 -0.462 -0.163 366 2HB LEU 65 1HB LEU 65 -5.086 -2.080 -0.380 367 HG LEU 65 HG LEU 65 -4.185 0.064 -2.245 368 1HD1 LEU 65 1HD1 LEU 65 -2.476 -0.210 0.088 369 2HD1 LEU 65 2HD1 LEU 65 -4.049 0.487 0.477 370 3HD1 LEU 65 3HD1 LEU 65 -3.028 1.242 -0.747 371 1HD2 LEU 65 1HD2 LEU 65 -3.317 -2.016 -2.809 372 2HD2 LEU 65 2HD2 LEU 65 -3.103 -2.494 -1.124 373 3HD2 LEU 65 3HD2 LEU 65 -2.028 -1.296 -1.845 374 H LYS 66 H LYS 66 -6.679 -3.917 -2.196 375 HA LYS 66 HA LYS 66 -9.080 -3.962 -0.489 376 1HB LYS 66 2HB LYS 66 -8.641 -5.684 -2.935 377 2HB LYS 66 1HB LYS 66 -10.083 -5.626 -1.930 378 1HG LYS 66 2HG LYS 66 -10.801 -3.651 -2.822 379 2HG LYS 66 1HG LYS 66 -9.167 -3.113 -3.222 380 1HD LYS 66 2HD LYS 66 -9.963 -3.603 -5.317 381 2HD LYS 66 1HD LYS 66 -9.253 -5.158 -4.876 382 1HE LYS 66 2HE LYS 66 -11.394 -5.621 -5.784 383 2HE LYS 66 1HE LYS 66 -11.527 -5.834 -4.038 384 1HZ LYS 66 1HZ LYS 66 -12.485 -3.602 -3.898 385 2HZ LYS 66 2HZ LYS 66 -13.413 -4.619 -4.883 386 3HZ LYS 66 3HZ LYS 66 -12.405 -3.455 -5.582 387 HA PRO 67 HA PRO 67 -7.417 -7.159 2.030 388 1HB PRO 67 2HB PRO 67 -9.667 -8.911 1.142 389 2HB PRO 67 1HB PRO 67 -9.120 -8.524 2.778 390 1HG PRO 67 2HG PRO 67 -11.309 -7.389 1.786 391 2HG PRO 67 1HG PRO 67 -10.178 -6.457 2.784 392 1HD PRO 67 2HD PRO 67 -10.590 -6.402 -0.170 393 2HD PRO 67 1HD PRO 67 -10.169 -5.079 0.938 394 H TYR 68 H TYR 68 -5.974 -8.792 1.839 395 HA TYR 68 HA TYR 68 -4.874 -10.620 0.988 396 1HB TYR 68 2HB TYR 68 -6.566 -10.478 -1.507 397 2HB TYR 68 1HB TYR 68 -5.640 -11.846 -0.899 398 HD1 TYR 68 1HD TYR 68 -8.850 -10.690 -1.297 399 HD2 TYR 68 2HD TYR 68 -6.357 -12.428 1.679 400 HE1 TYR 68 1HE TYR 68 -10.843 -11.511 -0.115 401 HE2 TYR 68 2HE TYR 68 -8.342 -13.254 2.869 402 HH TYR 68 HH TYR 68 -10.697 -12.803 3.060 403 H ASP 69 H ASP 69 -5.067 -7.558 -0.195 404 HA ASP 69 HA ASP 69 -3.597 -7.486 -2.527 405 1HB ASP 69 2HB ASP 69 -4.138 -5.611 -0.311 406 2HB ASP 69 1HB ASP 69 -2.711 -5.246 -1.275 407 H ARG 70 H ARG 70 -1.990 -9.049 -2.517 408 HA ARG 70 HA ARG 70 0.046 -9.109 -0.502 409 1HB ARG 70 2HB ARG 70 -0.585 -11.147 -1.623 410 2HB ARG 70 1HB ARG 70 -0.201 -10.455 -3.191 411 1HG ARG 70 2HG ARG 70 2.178 -10.292 -2.457 412 2HG ARG 70 1HG ARG 70 1.729 -11.170 -0.994 413 1HD ARG 70 2HD ARG 70 0.991 -13.060 -2.336 414 2HD ARG 70 1HD ARG 70 1.367 -12.179 -3.815 415 HE ARG 70 HE ARG 70 3.618 -12.448 -2.059 416 1HH1 ARG 70 1HH1 ARG 70 1.758 -14.026 -4.556 417 2HH1 ARG 70 2HH1 ARG 70 3.069 -15.031 -5.072 418 1HH2 ARG 70 1HH2 ARG 70 5.346 -13.770 -2.739 419 2HH2 ARG 70 2HH2 ARG 70 5.106 -14.886 -4.041 420 H LEU 71 H LEU 71 1.520 -7.557 -0.350 421 HA LEU 71 HA LEU 71 2.230 -5.838 -2.507 422 1HB LEU 71 2HB LEU 71 3.698 -6.222 0.100 423 2HB LEU 71 1HB LEU 71 3.783 -4.830 -0.964 424 HG LEU 71 HG LEU 71 1.052 -5.253 -0.197 425 1HD1 LEU 71 1HD1 LEU 71 1.049 -5.339 2.077 426 2HD1 LEU 71 2HD1 LEU 71 2.654 -4.624 2.220 427 3HD1 LEU 71 3HD1 LEU 71 2.481 -6.317 1.759 428 1HD2 LEU 71 1HD2 LEU 71 2.630 -3.004 0.898 429 2HD2 LEU 71 2HD2 LEU 71 1.079 -3.003 0.057 430 3HD2 LEU 71 3HD2 LEU 71 2.578 -3.164 -0.859 431 H LEU 72 H LEU 72 3.345 -6.594 -4.191 432 HA LEU 72 HA LEU 72 5.289 -8.698 -3.871 433 1HB LEU 72 2HB LEU 72 4.482 -7.136 -6.316 434 2HB LEU 72 1HB LEU 72 5.538 -8.534 -6.315 435 HG LEU 72 HG LEU 72 2.612 -8.382 -6.180 436 1HD1 LEU 72 1HD1 LEU 72 3.885 -10.919 -6.826 437 2HD1 LEU 72 2HD1 LEU 72 4.497 -9.569 -7.781 438 3HD1 LEU 72 3HD1 LEU 72 2.773 -9.934 -7.775 439 1HD2 LEU 72 1HD2 LEU 72 2.808 -9.151 -3.960 440 2HD2 LEU 72 2HD2 LEU 72 4.139 -10.231 -4.366 441 3HD2 LEU 72 3HD2 LEU 72 2.510 -10.589 -4.937 442 H GLN 73 H GLN 73 5.348 -5.259 -3.935 443 HA GLN 73 HA GLN 73 8.099 -5.155 -3.345 444 1HB GLN 73 2HB GLN 73 8.905 -4.020 -5.397 445 2HB GLN 73 1HB GLN 73 8.453 -5.698 -5.667 446 1HG GLN 73 2HG GLN 73 7.045 -5.100 -7.257 447 2HG GLN 73 1HG GLN 73 6.180 -4.046 -6.139 448 1HE2 GLN 73 1HE2 GLN 73 6.890 -1.861 -5.929 449 2HE2 GLN 73 2HE2 GLN 73 7.717 -1.081 -7.237 450 H VAL 74 H VAL 74 8.859 -3.053 -2.904 451 HA VAL 74 HA VAL 74 6.777 -0.968 -2.883 452 HB VAL 74 HB VAL 74 8.870 -1.400 -0.748 453 1HG1 VAL 74 1HG1 VAL 74 6.904 0.160 0.324 454 2HG1 VAL 74 2HG1 VAL 74 6.965 0.739 -1.341 455 3HG1 VAL 74 3HG1 VAL 74 8.420 0.758 -0.345 456 1HG2 VAL 74 1HG2 VAL 74 7.442 -2.652 0.459 457 2HG2 VAL 74 2HG2 VAL 74 6.704 -2.987 -1.109 458 3HG2 VAL 74 3HG2 VAL 74 6.031 -1.733 -0.067 459 H ASN 75 H ASN 75 7.367 0.581 -4.255 460 HA ASN 75 HA ASN 75 8.580 2.292 -5.161 461 1HB ASN 75 2HB ASN 75 10.963 1.474 -3.506 462 2HB ASN 75 1HB ASN 75 10.600 3.058 -4.185 463 1HD2 ASN 75 1HD2 ASN 75 8.224 3.735 -3.437 464 2HD2 ASN 75 2HD2 ASN 75 8.020 3.695 -1.716 465 H HIS 76 H HIS 76 10.757 -0.432 -4.544 466 HA HIS 76 HA HIS 76 10.908 -1.168 -7.286 467 1HB HIS 76 2HB HIS 76 12.897 0.712 -6.218 468 2HB HIS 76 1HB HIS 76 13.595 -0.701 -7.002 469 HD1 HIS 76 1HD HIS 76 11.583 -1.045 -9.308 470 HD2 HIS 76 2HD HIS 76 13.225 2.596 -8.159 471 HE1 HIS 76 1HE HIS 76 11.416 0.436 -11.333 472 HE2 HIS 76 2HE HIS 76 12.333 2.661 -10.585 473 H VAL 77 H VAL 77 11.583 -1.612 -3.979 474 HA VAL 77 HA VAL 77 13.292 -3.923 -4.336 475 HB VAL 77 HB VAL 77 11.950 -2.993 -1.797 476 1HG1 VAL 77 1HG1 VAL 77 14.275 -4.115 -1.042 477 2HG1 VAL 77 2HG1 VAL 77 13.931 -5.067 -2.485 478 3HG1 VAL 77 3HG1 VAL 77 12.759 -5.007 -1.170 479 1HG2 VAL 77 1HG2 VAL 77 14.757 -2.322 -2.634 480 2HG2 VAL 77 2HG2 VAL 77 13.810 -1.640 -1.310 481 3HG2 VAL 77 3HG2 VAL 77 13.393 -1.260 -2.980 482 H ARG 78 H ARG 78 12.693 -6.025 -4.259 483 HA ARG 78 HA ARG 78 9.963 -6.693 -4.685 484 1HB ARG 78 2HB ARG 78 12.312 -8.500 -4.081 485 2HB ARG 78 1HB ARG 78 10.751 -9.021 -4.703 486 1HG ARG 78 2HG ARG 78 11.122 -7.732 -6.740 487 2HG ARG 78 1HG ARG 78 12.683 -7.194 -6.116 488 1HD ARG 78 2HD ARG 78 12.260 -10.105 -6.119 489 2HD ARG 78 1HD ARG 78 12.333 -9.354 -7.712 490 HE ARG 78 HE ARG 78 14.483 -8.320 -6.437 491 1HH1 ARG 78 1HH1 ARG 78 13.346 -11.579 -6.950 492 2HH1 ARG 78 2HH1 ARG 78 14.935 -12.267 -6.948 493 1HH2 ARG 78 1HH2 ARG 78 16.574 -9.223 -6.438 494 2HH2 ARG 78 2HH2 ARG 78 16.768 -10.930 -6.657 495 H THR 79 H THR 79 8.497 -7.722 -3.350 496 HA THR 79 HA THR 79 9.275 -8.318 -0.606 497 HB THR 79 HB THR 79 7.357 -7.006 0.292 498 HG1 THR 79 1HG THR 79 6.012 -6.185 -1.066 499 1HG2 THR 79 1HG2 THR 79 9.498 -5.966 0.471 500 2HG2 THR 79 2HG2 THR 79 8.322 -4.748 -0.022 501 3HG2 THR 79 3HG2 THR 79 9.432 -5.434 -1.209 502 H ARG 80 H ARG 80 8.142 -9.666 -3.139 503 HA ARG 80 HA ARG 80 5.523 -10.536 -2.520 504 1HB ARG 80 2HB ARG 80 7.591 -12.024 -4.144 505 2HB ARG 80 1HB ARG 80 5.846 -12.222 -4.220 506 1HG ARG 80 2HG ARG 80 5.564 -10.430 -5.550 507 2HG ARG 80 1HG ARG 80 6.827 -9.501 -4.745 508 1HD ARG 80 2HD ARG 80 7.142 -11.623 -6.852 509 2HD ARG 80 1HD ARG 80 7.586 -9.920 -6.953 510 HE ARG 80 HE ARG 80 9.113 -10.796 -4.920 511 1HH1 ARG 80 1HH1 ARG 80 8.580 -12.017 -8.147 512 2HH1 ARG 80 2HH1 ARG 80 10.157 -12.721 -8.275 513 1HH2 ARG 80 1HH2 ARG 80 11.185 -11.722 -5.087 514 2HH2 ARG 80 2HH2 ARG 80 11.636 -12.555 -6.538 515 H ASP 81 H ASP 81 8.692 -12.095 -2.077 516 HA ASP 81 HA ASP 81 7.466 -14.113 -0.362 517 1HB ASP 81 2HB ASP 81 9.303 -14.482 -2.221 518 2HB ASP 81 1HB ASP 81 10.402 -14.025 -0.924 519 H PHE 82 H PHE 82 7.931 -11.192 0.375 520 HA PHE 82 HA PHE 82 9.902 -11.309 2.477 521 1HB PHE 82 2HB PHE 82 8.137 -9.239 1.296 522 2HB PHE 82 1HB PHE 82 8.578 -9.014 2.985 523 HD1 PHE 82 1HD PHE 82 9.891 -7.059 2.668 524 HD2 PHE 82 2HD PHE 82 10.772 -10.613 0.499 525 HE1 PHE 82 1HE PHE 82 12.048 -6.099 1.977 526 HE2 PHE 82 2HE PHE 82 12.931 -9.658 -0.194 527 HZ PHE 82 HZ PHE 82 13.571 -7.398 0.545 528 H ASP 83 H ASP 83 9.226 -10.527 4.715 529 HA ASP 83 HA ASP 83 6.816 -12.017 5.521 530 1HB ASP 83 2HB ASP 83 9.310 -12.507 6.368 531 2HB ASP 83 1HB ASP 83 8.871 -11.264 7.535 532 H CYS 84 H CYS 84 5.632 -11.162 7.393 533 HA CYS 84 HA CYS 84 4.762 -8.566 7.041 534 1HB CYS 84 2HB CYS 84 3.752 -8.765 9.302 535 2HB CYS 84 1HB CYS 84 3.457 -10.178 8.293 536 HG CYS 84 HG CYS 84 4.199 -11.307 10.373 537 H CYS 85 H CYS 85 7.435 -9.758 8.940 538 HA CYS 85 HA CYS 85 7.868 -7.395 10.425 539 1HB CYS 85 2HB CYS 85 8.973 -10.004 10.317 540 2HB CYS 85 1HB CYS 85 10.301 -8.864 10.120 541 HG CYS 85 HG CYS 85 10.223 -8.811 12.575 542 H LEU 86 H LEU 86 8.635 -8.356 7.216 543 HA LEU 86 HA LEU 86 10.654 -6.257 6.931 544 1HB LEU 86 2HB LEU 86 9.882 -8.664 5.352 545 2HB LEU 86 1HB LEU 86 10.615 -7.318 4.502 546 HG LEU 86 HG LEU 86 12.464 -7.494 6.330 547 1HD1 LEU 86 1HD1 LEU 86 11.861 -9.030 7.876 548 2HD1 LEU 86 2HD1 LEU 86 12.619 -10.132 6.726 549 3HD1 LEU 86 3HD1 LEU 86 10.865 -9.945 6.743 550 1HD2 LEU 86 1HD2 LEU 86 13.374 -9.556 4.917 551 2HD2 LEU 86 2HD2 LEU 86 13.270 -7.926 4.249 552 3HD2 LEU 86 3HD2 LEU 86 12.015 -9.109 3.886 553 H VAL 87 H VAL 87 7.406 -7.105 5.998 554 HA VAL 87 HA VAL 87 7.165 -5.030 4.026 555 HB VAL 87 HB VAL 87 4.974 -6.642 5.339 556 1HG1 VAL 87 1HG1 VAL 87 5.036 -4.584 3.254 557 2HG1 VAL 87 2HG1 VAL 87 3.698 -5.145 4.257 558 3HG1 VAL 87 3HG1 VAL 87 4.152 -6.042 2.809 559 1HG2 VAL 87 1HG2 VAL 87 6.919 -7.290 3.215 560 2HG2 VAL 87 2HG2 VAL 87 5.243 -7.736 2.898 561 3HG2 VAL 87 3HG2 VAL 87 6.064 -8.351 4.333 562 H VAL 88 H VAL 88 6.306 -5.446 7.436 563 HA VAL 88 HA VAL 88 4.688 -3.154 7.600 564 HB VAL 88 HB VAL 88 4.791 -5.015 9.313 565 1HG1 VAL 88 1HG1 VAL 88 7.041 -5.248 9.882 566 2HG1 VAL 88 2HG1 VAL 88 6.321 -4.441 11.274 567 3HG1 VAL 88 3HG1 VAL 88 7.261 -3.512 10.109 568 1HG2 VAL 88 1HG2 VAL 88 3.615 -2.776 9.508 569 2HG2 VAL 88 2HG2 VAL 88 4.965 -2.278 10.529 570 3HG2 VAL 88 3HG2 VAL 88 3.946 -3.634 11.012 571 HA PRO 89 HA PRO 89 8.682 -0.792 8.883 572 1HB PRO 89 2HB PRO 89 11.045 -1.713 7.980 573 2HB PRO 89 1HB PRO 89 10.358 -2.263 9.514 574 1HG PRO 89 2HG PRO 89 10.333 -3.605 6.839 575 2HG PRO 89 1HG PRO 89 10.640 -4.302 8.439 576 1HD PRO 89 2HD PRO 89 8.236 -4.479 7.170 577 2HD PRO 89 1HD PRO 89 8.412 -4.477 8.925 578 H LEU 90 H LEU 90 9.098 -2.581 5.809 579 HA LEU 90 HA LEU 90 10.082 -0.471 4.288 580 1HB LEU 90 2HB LEU 90 8.403 -2.848 3.501 581 2HB LEU 90 1HB LEU 90 9.101 -1.740 2.335 582 HG LEU 90 HG LEU 90 10.752 -3.298 4.318 583 1HD1 LEU 90 1HD1 LEU 90 9.418 -4.207 1.931 584 2HD1 LEU 90 2HD1 LEU 90 10.358 -5.119 3.110 585 3HD1 LEU 90 3HD1 LEU 90 11.169 -4.326 1.762 586 1HD2 LEU 90 1HD2 LEU 90 11.632 -1.167 3.232 587 2HD2 LEU 90 2HD2 LEU 90 11.613 -2.070 1.717 588 3HD2 LEU 90 3HD2 LEU 90 12.614 -2.623 3.060 589 H ILE 91 H ILE 91 6.870 -1.209 5.358 590 HA ILE 91 HA ILE 91 5.508 0.539 3.545 591 HB ILE 91 HB ILE 91 4.714 -0.989 6.003 592 1HG1 ILE 91 2HG1 ILE 91 3.548 -0.975 3.216 593 2HG1 ILE 91 1HG1 ILE 91 4.865 -2.038 3.719 594 1HG2 ILE 91 1HG2 ILE 91 3.353 1.387 4.934 595 2HG2 ILE 91 2HG2 ILE 91 3.250 0.635 6.523 596 3HG2 ILE 91 3HG2 ILE 91 2.324 -0.022 5.175 597 1HD1 ILE 91 1HD1 ILE 91 3.446 -3.120 5.321 598 2HD1 ILE 91 2HD1 ILE 91 2.641 -3.111 3.751 599 3HD1 ILE 91 3HD1 ILE 91 2.143 -1.972 5.001 600 H ALA 92 H ALA 92 6.389 0.708 6.988 601 HA ALA 92 HA ALA 92 5.494 3.412 7.226 602 1HB ALA 92 1HB ALA 92 7.086 1.766 9.177 603 2HB ALA 92 2HB ALA 92 5.326 1.816 9.087 604 3HB ALA 92 3HB ALA 92 6.228 3.267 9.521 605 H GLU 93 H GLU 93 8.202 2.132 5.829 606 HA GLU 93 HA GLU 93 9.953 4.301 6.738 607 1HB GLU 93 2HB GLU 93 10.445 1.625 5.515 608 2HB GLU 93 1HB GLU 93 11.639 2.894 5.282 609 1HG GLU 93 2HG GLU 93 10.891 2.805 8.034 610 2HG GLU 93 1HG GLU 93 11.320 1.185 7.491 611 H SER 94 H SER 94 7.948 3.497 4.151 612 HA SER 94 HA SER 94 9.401 4.600 2.001 613 1HB SER 94 2HB SER 94 7.064 3.233 2.187 614 2HB SER 94 1HB SER 94 6.466 4.864 1.885 615 HG SER 94 HG SER 94 8.098 3.237 0.272 616 H GLY 95 H GLY 95 7.953 6.074 4.674 617 1HA GLY 95 2HA GLY 95 8.184 8.347 5.221 618 2HA GLY 95 1HA GLY 95 8.478 8.701 3.526 619 H ASN 96 H ASN 96 7.011 10.356 3.343 620 HA ASN 96 HA ASN 96 4.316 10.136 4.260 621 1HB ASN 96 2HB ASN 96 5.754 12.106 2.495 622 2HB ASN 96 1HB ASN 96 4.024 12.223 2.797 623 1HD2 ASN 96 1HD2 ASN 96 3.711 11.673 5.364 624 2HD2 ASN 96 2HD2 ASN 96 4.592 12.780 6.365 625 H LYS 97 H LYS 97 5.946 8.998 1.493 626 HA LYS 97 HA LYS 97 3.361 8.466 0.183 627 1HB LYS 97 2HB LYS 97 5.882 9.568 -0.931 628 2HB LYS 97 1HB LYS 97 5.038 8.386 -1.922 629 1HG LYS 97 2HG LYS 97 2.978 9.791 -1.682 630 2HG LYS 97 1HG LYS 97 3.990 11.020 -0.918 631 1HD LYS 97 2HD LYS 97 3.763 11.565 -3.244 632 2HD LYS 97 1HD LYS 97 5.418 11.022 -2.957 633 1HE LYS 97 2HE LYS 97 5.153 9.535 -4.587 634 2HE LYS 97 1HE LYS 97 3.953 8.716 -3.588 635 1HZ LYS 97 1HZ LYS 97 2.396 10.539 -4.572 636 2HZ LYS 97 2HZ LYS 97 2.751 9.150 -5.467 637 3HZ LYS 97 3HZ LYS 97 3.555 10.600 -5.803 638 H LEU 98 H LEU 98 3.022 6.410 -0.561 639 HA LEU 98 HA LEU 98 5.245 4.500 -0.285 640 1HB LEU 98 2HB LEU 98 3.003 4.628 1.380 641 2HB LEU 98 1HB LEU 98 2.668 3.300 0.290 642 HG LEU 98 HG LEU 98 4.983 3.573 2.202 643 1HD1 LEU 98 1HD1 LEU 98 3.095 1.270 1.943 644 2HD1 LEU 98 2HD1 LEU 98 2.641 2.709 2.858 645 3HD1 LEU 98 3HD1 LEU 98 4.063 1.779 3.325 646 1HD2 LEU 98 1HD2 LEU 98 5.896 2.705 0.141 647 2HD2 LEU 98 2HD2 LEU 98 4.578 1.542 0.007 648 3HD2 LEU 98 3HD2 LEU 98 5.753 1.396 1.314 649 H ASP 99 H ASP 99 5.614 4.223 -2.445 650 HA ASP 99 HA ASP 99 3.350 3.495 -4.160 651 1HB ASP 99 2HB ASP 99 6.230 4.081 -4.893 652 2HB ASP 99 1HB ASP 99 4.924 3.773 -6.031 653 H LEU 100 H LEU 100 2.908 1.397 -4.404 654 HA LEU 100 HA LEU 100 5.119 -0.503 -4.595 655 1HB LEU 100 2HB LEU 100 3.879 -2.048 -3.011 656 2HB LEU 100 1HB LEU 100 4.723 -0.686 -2.296 657 HG LEU 100 HG LEU 100 2.373 0.479 -2.477 658 1HD1 LEU 100 1HD1 LEU 100 0.578 -0.784 -2.867 659 2HD1 LEU 100 2HD1 LEU 100 1.174 -2.099 -1.854 660 3HD1 LEU 100 3HD1 LEU 100 1.705 -1.968 -3.531 661 1HD2 LEU 100 1HD2 LEU 100 1.859 -0.947 -0.242 662 2HD2 LEU 100 2HD2 LEU 100 3.015 0.381 -0.323 663 3HD2 LEU 100 3HD2 LEU 100 3.576 -1.286 -0.456 664 H VAL 101 H VAL 101 4.504 -2.604 -5.378 665 HA VAL 101 HA VAL 101 2.040 -2.544 -6.999 666 HB VAL 101 HB VAL 101 4.520 -4.160 -7.594 667 1HG1 VAL 101 1HG1 VAL 101 2.688 -3.410 -9.754 668 2HG1 VAL 101 2HG1 VAL 101 1.978 -4.463 -8.530 669 3HG1 VAL 101 3HG1 VAL 101 3.436 -4.964 -9.385 670 1HG2 VAL 101 1HG2 VAL 101 4.485 -2.276 -9.530 671 2HG2 VAL 101 2HG2 VAL 101 5.451 -2.159 -8.059 672 3HG2 VAL 101 3HG2 VAL 101 3.893 -1.339 -8.159 673 H ILE 102 H ILE 102 0.545 -3.761 -6.028 674 HA ILE 102 HA ILE 102 1.397 -6.245 -4.686 675 HB ILE 102 HB ILE 102 -0.606 -6.123 -3.371 676 1HG1 ILE 102 2HG1 ILE 102 -1.957 -3.831 -3.833 677 2HG1 ILE 102 1HG1 ILE 102 -1.408 -4.188 -5.468 678 1HG2 ILE 102 1HG2 ILE 102 -0.281 -3.427 -2.792 679 2HG2 ILE 102 2HG2 ILE 102 1.275 -3.918 -3.462 680 3HG2 ILE 102 3HG2 ILE 102 0.604 -4.771 -2.073 681 1HD1 ILE 102 1HD1 ILE 102 -2.628 -6.137 -5.591 682 2HD1 ILE 102 2HD1 ILE 102 -3.694 -5.078 -4.668 683 3HD1 ILE 102 3HD1 ILE 102 -2.737 -6.305 -3.839 684 H SER 103 H SER 103 -0.345 -7.992 -4.715 685 HA SER 103 HA SER 103 -1.709 -8.088 -7.317 686 1HB SER 103 2HB SER 103 -0.801 -10.711 -6.433 687 2HB SER 103 1HB SER 103 -0.601 -9.925 -7.997 688 HG SER 103 HG SER 103 1.321 -10.419 -6.514 689 H ARG 104 H ARG 104 -3.794 -8.631 -7.185 690 HA ARG 104 HA ARG 104 -4.711 -10.277 -4.947 691 1HB ARG 104 2HB ARG 104 -6.450 -8.795 -4.299 692 2HB ARG 104 1HB ARG 104 -4.982 -7.833 -4.367 693 1HG ARG 104 2HG ARG 104 -6.995 -7.949 -6.601 694 2HG ARG 104 1HG ARG 104 -7.022 -6.741 -5.314 695 1HD ARG 104 2HD ARG 104 -4.418 -6.657 -6.196 696 2HD ARG 104 1HD ARG 104 -5.329 -6.922 -7.680 697 HE ARG 104 HE ARG 104 -5.339 -4.556 -6.025 698 1HH1 ARG 104 1HH1 ARG 104 -7.007 -6.358 -8.506 699 2HH1 ARG 104 2HH1 ARG 104 -7.859 -4.976 -9.109 700 1HH2 ARG 104 1HH2 ARG 104 -6.459 -2.740 -6.816 701 2HH2 ARG 104 2HH2 ARG 104 -7.547 -2.924 -8.151 702 H ASN 105 H ASN 105 -6.440 -11.586 -5.406 703 HA ASN 105 HA ASN 105 -6.980 -12.091 -8.156 704 1HB ASN 105 2HB ASN 105 -8.072 -13.212 -5.583 705 2HB ASN 105 1HB ASN 105 -8.721 -13.699 -7.145 706 1HD2 ASN 105 1HD2 ASN 105 -8.036 -15.744 -7.278 707 2HD2 ASN 105 2HD2 ASN 105 -6.374 -16.235 -7.240 708 HA PRO 106 HA PRO 106 -10.276 -9.213 -8.899 709 1HB PRO 106 2HB PRO 106 -11.357 -11.393 -10.614 710 2HB PRO 106 1HB PRO 106 -11.032 -9.703 -11.014 711 1HG PRO 106 2HG PRO 106 -9.411 -11.627 -11.871 712 2HG PRO 106 1HG PRO 106 -8.760 -10.075 -11.313 713 1HD PRO 106 2HD PRO 106 -8.817 -12.718 -9.919 714 2HD PRO 106 1HD PRO 106 -7.553 -11.472 -9.926 Start of MODEL 8 1 1H SER 16 1HT SER 16 -12.107 -15.645 -14.041 2 2H SER 16 2HT SER 16 -12.894 -15.659 -12.515 3 3H SER 16 3HT SER 16 -12.370 -17.130 -13.227 4 HA SER 16 HA SER 16 -10.812 -14.995 -11.979 5 1HB SER 16 2HB SER 16 -11.659 -17.026 -10.745 6 2HB SER 16 1HB SER 16 -10.654 -18.013 -11.806 7 HG SER 16 HG SER 16 -8.859 -16.687 -11.041 8 HA PRO 17 HA PRO 17 -8.437 -16.018 -15.864 9 1HB PRO 17 2HB PRO 17 -7.788 -13.465 -16.488 10 2HB PRO 17 1HB PRO 17 -9.312 -14.208 -16.990 11 1HG PRO 17 2HG PRO 17 -8.769 -12.368 -14.691 12 2HG PRO 17 1HG PRO 17 -10.118 -12.350 -15.844 13 1HD PRO 17 2HD PRO 17 -10.336 -13.393 -13.350 14 2HD PRO 17 1HD PRO 17 -11.251 -14.022 -14.737 15 H THR 18 H THR 18 -6.596 -16.874 -15.051 16 HA THR 18 HA THR 18 -4.504 -17.043 -14.185 17 HB THR 18 HB THR 18 -4.487 -14.072 -14.600 18 HG1 THR 18 1HG THR 18 -3.746 -14.507 -16.650 19 1HG2 THR 18 1HG2 THR 18 -2.092 -14.279 -14.941 20 2HG2 THR 18 2HG2 THR 18 -2.187 -15.995 -14.551 21 3HG2 THR 18 3HG2 THR 18 -2.560 -14.787 -13.320 22 HA PRO 19 HA PRO 19 -4.811 -16.490 -9.815 23 1HB PRO 19 2HB PRO 19 -1.895 -15.857 -9.945 24 2HB PRO 19 1HB PRO 19 -2.749 -17.013 -8.915 25 1HG PRO 19 2HG PRO 19 -1.375 -17.887 -10.993 26 2HG PRO 19 1HG PRO 19 -2.975 -18.572 -10.642 27 1HD PRO 19 2HD PRO 19 -2.177 -16.583 -12.715 28 2HD PRO 19 1HD PRO 19 -3.326 -17.929 -12.835 29 H VAL 20 H VAL 20 -2.908 -14.795 -8.361 30 HA VAL 20 HA VAL 20 -4.239 -12.525 -7.894 31 HB VAL 20 HB VAL 20 -2.160 -11.432 -7.213 32 1HG1 VAL 20 1HG1 VAL 20 -3.168 -13.140 -5.774 33 2HG1 VAL 20 2HG1 VAL 20 -1.413 -13.093 -5.607 34 3HG1 VAL 20 3HG1 VAL 20 -2.175 -14.372 -6.552 35 1HG2 VAL 20 1HG2 VAL 20 -0.739 -13.763 -8.495 36 2HG2 VAL 20 2HG2 VAL 20 0.002 -12.423 -7.622 37 3HG2 VAL 20 3HG2 VAL 20 -0.805 -12.132 -9.162 38 H GLU 21 H GLU 21 -4.140 -10.329 -8.537 39 HA GLU 21 HA GLU 21 -3.281 -9.932 -11.327 40 1HB GLU 21 2HB GLU 21 -5.723 -8.943 -9.871 41 2HB GLU 21 1HB GLU 21 -5.140 -8.156 -11.330 42 1HG GLU 21 2HG GLU 21 -5.387 -10.250 -12.561 43 2HG GLU 21 1HG GLU 21 -5.971 -11.039 -11.096 44 H LEU 22 H LEU 22 -1.730 -8.470 -11.573 45 HA LEU 22 HA LEU 22 -0.634 -7.006 -9.461 46 1HB LEU 22 2HB LEU 22 -0.335 -6.960 -12.427 47 2HB LEU 22 1HB LEU 22 0.380 -5.665 -11.486 48 HG LEU 22 HG LEU 22 1.005 -8.606 -11.289 49 1HD1 LEU 22 1HD1 LEU 22 2.487 -6.199 -12.307 50 2HD1 LEU 22 2HD1 LEU 22 2.129 -7.709 -13.145 51 3HD1 LEU 22 3HD1 LEU 22 3.317 -7.684 -11.841 52 1HD2 LEU 22 1HD2 LEU 22 2.845 -7.131 -9.785 53 2HD2 LEU 22 2HD2 LEU 22 1.616 -8.243 -9.183 54 3HD2 LEU 22 3HD2 LEU 22 1.258 -6.522 -9.315 55 H HIS 23 H HIS 23 -0.928 -5.002 -8.687 56 HA HIS 23 HA HIS 23 -2.611 -3.113 -10.142 57 1HB HIS 23 2HB HIS 23 -3.158 -3.810 -7.251 58 2HB HIS 23 1HB HIS 23 -4.064 -2.691 -8.263 59 HD1 HIS 23 1HD HIS 23 -4.657 -4.312 -10.713 60 HD2 HIS 23 2HD HIS 23 -4.813 -5.910 -6.881 61 HE1 HIS 23 1HE HIS 23 -6.167 -6.316 -10.882 62 HE2 HIS 23 2HE HIS 23 -6.311 -7.219 -8.534 63 H LYS 24 H LYS 24 -1.359 -1.373 -10.299 64 HA LYS 24 HA LYS 24 0.741 -0.794 -8.450 65 1HB LYS 24 2HB LYS 24 0.307 -0.123 -11.031 66 2HB LYS 24 1HB LYS 24 -0.230 1.356 -10.246 67 1HG LYS 24 2HG LYS 24 1.858 2.009 -9.902 68 2HG LYS 24 1HG LYS 24 2.267 0.479 -9.125 69 1HD LYS 24 2HD LYS 24 3.687 0.383 -10.912 70 2HD LYS 24 1HD LYS 24 2.266 -0.375 -11.632 71 1HE LYS 24 2HE LYS 24 3.048 1.218 -13.200 72 2HE LYS 24 1HE LYS 24 1.605 1.909 -12.461 73 1HZ LYS 24 1HZ LYS 24 3.513 3.470 -12.696 74 2HZ LYS 24 2HZ LYS 24 4.361 2.540 -11.566 75 3HZ LYS 24 3HZ LYS 24 2.930 3.320 -11.113 76 H VAL 25 H VAL 25 0.340 -0.072 -6.457 77 HA VAL 25 HA VAL 25 -1.830 1.888 -6.108 78 HB VAL 25 HB VAL 25 -1.144 0.762 -3.591 79 1HG1 VAL 25 1HG1 VAL 25 -3.427 1.429 -5.099 80 2HG1 VAL 25 2HG1 VAL 25 -3.335 1.020 -3.388 81 3HG1 VAL 25 3HG1 VAL 25 -3.629 -0.245 -4.580 82 1HG2 VAL 25 1HG2 VAL 25 -0.229 -1.150 -4.823 83 2HG2 VAL 25 2HG2 VAL 25 -1.771 -1.348 -5.655 84 3HG2 VAL 25 3HG2 VAL 25 -1.672 -1.592 -3.911 85 H THR 26 H THR 26 -1.451 3.731 -5.007 86 HA THR 26 HA THR 26 1.204 4.125 -3.817 87 HB THR 26 HB THR 26 -0.210 6.053 -5.675 88 HG1 THR 26 1HG THR 26 1.447 5.610 -7.074 89 1HG2 THR 26 1HG2 THR 26 1.488 7.595 -5.392 90 2HG2 THR 26 2HG2 THR 26 2.568 6.419 -4.639 91 3HG2 THR 26 3HG2 THR 26 1.177 7.037 -3.748 92 H LEU 27 H LEU 27 0.709 4.361 -1.708 93 HA LEU 27 HA LEU 27 -1.687 5.868 -0.964 94 1HB LEU 27 2HB LEU 27 0.133 4.268 0.826 95 2HB LEU 27 1HB LEU 27 -1.459 4.889 1.220 96 HG LEU 27 HG LEU 27 -1.970 3.320 -0.983 97 1HD1 LEU 27 1HD1 LEU 27 -0.849 1.120 -0.079 98 2HD1 LEU 27 2HD1 LEU 27 0.382 2.248 0.492 99 3HD1 LEU 27 3HD1 LEU 27 -0.011 2.167 -1.227 100 1HD2 LEU 27 1HD2 LEU 27 -2.819 1.685 0.736 101 2HD2 LEU 27 2HD2 LEU 27 -3.388 3.344 0.913 102 3HD2 LEU 27 3HD2 LEU 27 -2.112 2.733 1.965 103 H TYR 28 H TYR 28 -1.417 7.085 1.200 104 HA TYR 28 HA TYR 28 1.092 8.619 1.205 105 1HB TYR 28 2HB TYR 28 -1.481 10.029 1.783 106 2HB TYR 28 1HB TYR 28 0.028 10.674 1.149 107 HD1 TYR 28 1HD TYR 28 0.582 9.137 -1.206 108 HD2 TYR 28 2HD TYR 28 -3.182 10.445 0.283 109 HE1 TYR 28 1HE TYR 28 -0.341 9.054 -3.483 110 HE2 TYR 28 2HE TYR 28 -4.116 10.365 -1.991 111 HH TYR 28 HH TYR 28 -2.208 10.106 -4.754 112 H LYS 29 H LYS 29 1.855 9.198 3.209 113 HA LYS 29 HA LYS 29 0.334 8.145 5.498 114 1HB LYS 29 2HB LYS 29 3.028 7.775 4.693 115 2HB LYS 29 1HB LYS 29 3.055 8.708 6.182 116 1HG LYS 29 2HG LYS 29 1.557 6.978 7.192 117 2HG LYS 29 1HG LYS 29 1.800 6.014 5.736 118 1HD LYS 29 2HD LYS 29 3.362 5.226 7.340 119 2HD LYS 29 1HD LYS 29 4.278 6.185 6.175 120 1HE LYS 29 2HE LYS 29 3.640 8.091 7.972 121 2HE LYS 29 1HE LYS 29 3.720 6.683 9.030 122 1HZ LYS 29 1HZ LYS 29 5.848 7.992 7.513 123 2HZ LYS 29 2HZ LYS 29 5.946 6.314 7.701 124 3HZ LYS 29 3HZ LYS 29 5.885 7.314 9.063 125 H ASP 30 H ASP 30 0.738 9.263 7.589 126 HA ASP 30 HA ASP 30 1.042 12.169 7.223 127 1HB ASP 30 2HB ASP 30 -1.007 10.699 8.885 128 2HB ASP 30 1HB ASP 30 -0.685 12.423 9.044 129 H SER 31 H SER 31 2.266 13.227 8.691 130 HA SER 31 HA SER 31 4.119 11.823 10.240 131 1HB SER 31 2HB SER 31 3.339 14.670 9.928 132 2HB SER 31 1HB SER 31 4.234 14.254 11.389 133 HG SER 31 HG SER 31 5.728 13.159 9.859 134 H GLY 32 H GLY 32 2.919 10.356 11.529 135 1HA GLY 32 2HA GLY 32 2.698 10.323 14.038 136 2HA GLY 32 1HA GLY 32 1.536 11.619 13.817 137 H MET 33 H MET 33 1.415 9.227 11.379 138 HA MET 33 HA MET 33 -1.177 8.370 12.308 139 1HB MET 33 2HB MET 33 0.331 8.288 9.804 140 2HB MET 33 1HB MET 33 -0.572 6.811 10.109 141 1HG MET 33 2HG MET 33 -1.832 9.526 10.282 142 2HG MET 33 1HG MET 33 -1.731 8.621 8.774 143 1HE MET 33 1HE MET 33 -3.945 9.906 10.384 144 2HE MET 33 2HE MET 33 -5.032 8.865 11.302 145 3HE MET 33 3HE MET 33 -5.127 8.903 9.541 146 H GLU 34 H GLU 34 -1.725 5.990 12.215 147 HA GLU 34 HA GLU 34 0.244 4.549 13.802 148 1HB GLU 34 2HB GLU 34 -2.673 4.063 13.232 149 2HB GLU 34 1HB GLU 34 -1.672 2.912 14.107 150 1HG GLU 34 2HG GLU 34 -1.185 5.257 15.436 151 2HG GLU 34 1HG GLU 34 -2.888 5.402 15.000 152 H ASP 35 H ASP 35 -1.130 4.548 10.664 153 HA ASP 35 HA ASP 35 0.701 2.506 9.792 154 1HB ASP 35 2HB ASP 35 -1.693 1.545 10.636 155 2HB ASP 35 1HB ASP 35 -2.057 1.867 8.943 156 H PHE 36 H PHE 36 -0.340 1.938 7.314 157 HA PHE 36 HA PHE 36 -0.283 4.589 6.053 158 1HB PHE 36 2HB PHE 36 1.165 2.242 5.533 159 2HB PHE 36 1HB PHE 36 0.033 2.399 4.195 160 HD1 PHE 36 1HD PHE 36 -0.121 4.833 3.180 161 HD2 PHE 36 2HD PHE 36 3.184 3.309 5.383 162 HE1 PHE 36 1HE PHE 36 1.343 6.519 2.143 163 HE2 PHE 36 2HE PHE 36 4.654 4.992 4.353 164 HZ PHE 36 HZ PHE 36 3.733 6.602 2.731 165 H GLY 37 H GLY 37 -2.693 3.414 7.185 166 1HA GLY 37 2HA GLY 37 -4.910 3.704 6.486 167 2HA GLY 37 1HA GLY 37 -4.363 3.677 4.818 168 H PHE 38 H PHE 38 -2.910 1.090 6.260 169 HA PHE 38 HA PHE 38 -5.030 -0.756 6.471 170 1HB PHE 38 2HB PHE 38 -4.856 -1.982 4.426 171 2HB PHE 38 1HB PHE 38 -5.116 -0.293 4.009 172 HD1 PHE 38 1HD PHE 38 -3.109 -3.162 3.489 173 HD2 PHE 38 2HD PHE 38 -3.015 1.091 3.425 174 HE1 PHE 38 1HE PHE 38 -1.129 -3.232 2.036 175 HE2 PHE 38 2HE PHE 38 -1.030 1.028 1.971 176 HZ PHE 38 HZ PHE 38 -0.089 -1.140 1.266 177 H SER 39 H SER 39 -4.329 -2.912 6.898 178 HA SER 39 HA SER 39 -1.447 -3.119 7.465 179 1HB SER 39 2HB SER 39 -2.102 -4.627 9.360 180 2HB SER 39 1HB SER 39 -2.644 -2.959 9.557 181 HG SER 39 HG SER 39 -4.669 -3.572 9.328 182 H VAL 40 H VAL 40 -0.453 -5.116 7.132 183 HA VAL 40 HA VAL 40 -1.969 -6.963 5.411 184 HB VAL 40 HB VAL 40 0.212 -7.604 4.438 185 1HG1 VAL 40 1HG1 VAL 40 -1.011 -4.940 4.214 186 2HG1 VAL 40 2HG1 VAL 40 -0.684 -6.150 2.973 187 3HG1 VAL 40 3HG1 VAL 40 0.609 -5.091 3.533 188 1HG2 VAL 40 1HG2 VAL 40 2.189 -6.275 4.869 189 2HG2 VAL 40 2HG2 VAL 40 1.600 -6.970 6.379 190 3HG2 VAL 40 3HG2 VAL 40 1.298 -5.272 6.013 191 H ALA 41 H ALA 41 -1.405 -9.228 5.519 192 HA ALA 41 HA ALA 41 -0.479 -10.023 8.202 193 1HB ALA 41 1HB ALA 41 -2.564 -11.216 6.399 194 2HB ALA 41 2HB ALA 41 -2.746 -10.620 8.049 195 3HB ALA 41 3HB ALA 41 -1.858 -12.113 7.743 196 H ASP 42 H ASP 42 0.163 -12.498 8.115 197 HA ASP 42 HA ASP 42 2.409 -12.632 6.296 198 1HB ASP 42 2HB ASP 42 2.152 -13.403 8.857 199 2HB ASP 42 1HB ASP 42 1.768 -14.929 8.066 200 H GLY 43 H GLY 43 2.885 -14.610 5.071 201 1HA GLY 43 2HA GLY 43 0.416 -15.897 4.074 202 2HA GLY 43 1HA GLY 43 1.704 -15.372 3.000 203 H LEU 44 H LEU 44 0.412 -17.980 4.573 204 HA LEU 44 HA LEU 44 2.944 -19.386 4.873 205 1HB LEU 44 2HB LEU 44 0.831 -19.453 6.466 206 2HB LEU 44 1HB LEU 44 0.327 -20.712 5.355 207 HG LEU 44 HG LEU 44 1.462 -21.581 7.378 208 1HD1 LEU 44 1HD1 LEU 44 1.489 -22.693 5.082 209 2HD1 LEU 44 2HD1 LEU 44 2.686 -23.232 6.259 210 3HD1 LEU 44 3HD1 LEU 44 3.157 -22.132 4.963 211 1HD2 LEU 44 1HD2 LEU 44 3.108 -19.522 7.266 212 2HD2 LEU 44 2HD2 LEU 44 4.079 -20.648 6.318 213 3HD2 LEU 44 3HD2 LEU 44 3.607 -21.061 7.966 214 H LEU 45 H LEU 45 0.073 -19.387 2.928 215 HA LEU 45 HA LEU 45 0.845 -21.751 1.463 216 1HB LEU 45 2HB LEU 45 -1.559 -20.801 2.014 217 2HB LEU 45 1HB LEU 45 -1.306 -19.934 0.512 218 HG LEU 45 HG LEU 45 -0.731 -22.303 -0.441 219 1HD1 LEU 45 1HD1 LEU 45 -1.931 -22.883 2.201 220 2HD1 LEU 45 2HD1 LEU 45 -0.761 -23.804 1.256 221 3HD1 LEU 45 3HD1 LEU 45 -2.473 -23.860 0.837 222 1HD2 LEU 45 1HD2 LEU 45 -3.141 -22.650 -0.935 223 2HD2 LEU 45 2HD2 LEU 45 -2.587 -21.001 -1.228 224 3HD2 LEU 45 3HD2 LEU 45 -3.521 -21.373 0.222 225 H GLU 46 H GLU 46 0.342 -18.363 0.691 226 HA GLU 46 HA GLU 46 1.766 -18.668 -1.828 227 1HB GLU 46 2HB GLU 46 0.613 -16.114 -0.725 228 2HB GLU 46 1HB GLU 46 0.977 -16.503 -2.399 229 1HG GLU 46 2HG GLU 46 -0.926 -18.348 -1.207 230 2HG GLU 46 1HG GLU 46 -1.481 -16.674 -1.183 231 H LYS 47 H LYS 47 2.989 -18.641 1.018 232 HA LYS 47 HA LYS 47 4.669 -17.541 2.188 233 1HB LYS 47 2HB LYS 47 5.540 -18.783 -0.303 234 2HB LYS 47 1HB LYS 47 6.677 -17.582 0.291 235 1HG LYS 47 2HG LYS 47 5.611 -19.888 1.907 236 2HG LYS 47 1HG LYS 47 7.172 -19.861 1.081 237 1HD LYS 47 2HD LYS 47 8.117 -18.547 2.647 238 2HD LYS 47 1HD LYS 47 6.667 -17.560 2.835 239 1HE LYS 47 2HE LYS 47 5.657 -19.506 4.087 240 2HE LYS 47 1HE LYS 47 7.264 -20.232 4.086 241 1HZ LYS 47 1HZ LYS 47 7.960 -17.971 5.090 242 2HZ LYS 47 2HZ LYS 47 7.219 -19.123 6.085 243 3HZ LYS 47 3HZ LYS 47 6.322 -17.820 5.485 244 H GLY 48 H GLY 48 3.800 -15.404 2.363 245 1HA GLY 48 2HA GLY 48 5.529 -13.374 1.558 246 2HA GLY 48 1HA GLY 48 4.205 -13.402 0.403 247 H VAL 49 H VAL 49 3.489 -11.350 1.030 248 HA VAL 49 HA VAL 49 1.958 -11.354 3.532 249 HB VAL 49 HB VAL 49 3.774 -9.112 2.634 250 1HG1 VAL 49 1HG1 VAL 49 2.244 -7.778 3.582 251 2HG1 VAL 49 2HG1 VAL 49 2.850 -8.415 5.111 252 3HG1 VAL 49 3HG1 VAL 49 1.419 -9.124 4.365 253 1HG2 VAL 49 1HG2 VAL 49 3.873 -10.407 5.320 254 2HG2 VAL 49 2HG2 VAL 49 5.150 -9.595 4.413 255 3HG2 VAL 49 3HG2 VAL 49 4.627 -11.212 3.944 256 H TYR 50 H TYR 50 -0.005 -10.343 3.415 257 HA TYR 50 HA TYR 50 -0.640 -8.788 1.018 258 1HB TYR 50 2HB TYR 50 -2.881 -10.482 1.740 259 2HB TYR 50 1HB TYR 50 -2.124 -10.241 0.172 260 HD1 TYR 50 1HD TYR 50 -1.225 -12.094 -0.844 261 HD2 TYR 50 2HD TYR 50 -1.403 -11.986 3.402 262 HE1 TYR 50 1HE TYR 50 -0.305 -14.367 -0.757 263 HE2 TYR 50 2HE TYR 50 -0.484 -14.259 3.504 264 HH TYR 50 HH TYR 50 1.092 -15.719 1.147 265 H VAL 51 H VAL 51 -2.720 -7.616 1.233 266 HA VAL 51 HA VAL 51 -2.836 -6.202 3.662 267 HB VAL 51 HB VAL 51 -4.962 -6.364 1.514 268 1HG1 VAL 51 1HG1 VAL 51 -5.990 -5.329 3.327 269 2HG1 VAL 51 2HG1 VAL 51 -5.378 -3.973 2.380 270 3HG1 VAL 51 3HG1 VAL 51 -4.511 -4.506 3.820 271 1HG2 VAL 51 1HG2 VAL 51 -2.780 -5.731 0.605 272 2HG2 VAL 51 2HG2 VAL 51 -2.659 -4.440 1.801 273 3HG2 VAL 51 3HG2 VAL 51 -3.914 -4.381 0.564 274 H LYS 52 H LYS 52 -4.765 -6.011 5.075 275 HA LYS 52 HA LYS 52 -6.438 -8.375 5.237 276 1HB LYS 52 2HB LYS 52 -5.917 -8.728 7.627 277 2HB LYS 52 1HB LYS 52 -4.546 -9.038 6.573 278 1HG LYS 52 2HG LYS 52 -3.384 -7.210 7.314 279 2HG LYS 52 1HG LYS 52 -4.843 -6.341 7.795 280 1HD LYS 52 2HD LYS 52 -5.051 -7.532 9.778 281 2HD LYS 52 1HD LYS 52 -4.048 -8.862 9.196 282 1HE LYS 52 2HE LYS 52 -2.134 -7.191 9.156 283 2HE LYS 52 1HE LYS 52 -3.186 -6.125 10.085 284 1HZ LYS 52 1HZ LYS 52 -3.116 -7.497 11.908 285 2HZ LYS 52 2HZ LYS 52 -1.552 -7.705 11.299 286 3HZ LYS 52 3HZ LYS 52 -2.735 -8.878 11.011 287 H ASN 53 H ASN 53 -5.651 -5.190 6.394 288 HA ASN 53 HA ASN 53 -8.495 -4.672 6.786 289 1HB ASN 53 2HB ASN 53 -6.396 -4.481 8.918 290 2HB ASN 53 1HB ASN 53 -7.759 -3.367 8.936 291 1HD2 ASN 53 1HD2 ASN 53 -6.811 -6.730 9.083 292 2HD2 ASN 53 2HD2 ASN 53 -8.263 -7.305 9.837 293 H ILE 54 H ILE 54 -9.107 -2.618 6.261 294 HA ILE 54 HA ILE 54 -6.982 -0.665 5.707 295 HB ILE 54 HB ILE 54 -9.337 -1.199 3.900 296 1HG1 ILE 54 2HG1 ILE 54 -6.685 -2.398 4.051 297 2HG1 ILE 54 1HG1 ILE 54 -8.089 -2.899 3.117 298 1HG2 ILE 54 1HG2 ILE 54 -6.975 0.647 3.553 299 2HG2 ILE 54 2HG2 ILE 54 -8.623 1.143 3.942 300 3HG2 ILE 54 3HG2 ILE 54 -8.274 0.390 2.387 301 1HD1 ILE 54 1HD1 ILE 54 -6.420 -2.497 1.540 302 2HD1 ILE 54 2HD1 ILE 54 -5.898 -1.012 2.337 303 3HD1 ILE 54 3HD1 ILE 54 -7.437 -1.057 1.479 304 H ARG 55 H ARG 55 -7.403 1.362 6.377 305 HA ARG 55 HA ARG 55 -9.601 1.858 8.077 306 1HB ARG 55 2HB ARG 55 -7.158 3.066 7.573 307 2HB ARG 55 1HB ARG 55 -8.324 4.266 7.034 308 1HG ARG 55 2HG ARG 55 -8.282 4.904 9.181 309 2HG ARG 55 1HG ARG 55 -9.408 3.564 9.404 310 1HD ARG 55 2HD ARG 55 -6.423 3.512 9.822 311 2HD ARG 55 1HD ARG 55 -7.665 3.439 11.069 312 HE ARG 55 HE ARG 55 -7.839 1.327 9.123 313 1HH1 ARG 55 1HH1 ARG 55 -6.385 2.343 12.128 314 2HH1 ARG 55 2HH1 ARG 55 -6.091 0.728 12.676 315 1HH2 ARG 55 1HH2 ARG 55 -7.450 -0.798 9.841 316 2HH2 ARG 55 2HH2 ARG 55 -6.695 -1.056 11.378 317 HA PRO 56 HA PRO 56 -12.839 2.997 5.295 318 1HB PRO 56 2HB PRO 56 -13.529 5.083 7.291 319 2HB PRO 56 1HB PRO 56 -14.526 3.786 6.627 320 1HG PRO 56 2HG PRO 56 -13.580 3.650 9.117 321 2HG PRO 56 1HG PRO 56 -13.678 2.204 8.092 322 1HD PRO 56 2HD PRO 56 -11.298 3.867 8.807 323 2HD PRO 56 1HD PRO 56 -11.433 2.106 8.624 324 H ALA 57 H ALA 57 -12.705 4.206 3.529 325 HA ALA 57 HA ALA 57 -11.975 5.813 2.071 326 1HB ALA 57 1HB ALA 57 -13.520 7.149 4.207 327 2HB ALA 57 2HB ALA 57 -13.831 7.044 2.474 328 3HB ALA 57 3HB ALA 57 -12.639 8.189 3.089 329 H GLY 58 H GLY 58 -9.941 4.949 3.988 330 1HA GLY 58 2HA GLY 58 -8.427 7.408 4.482 331 2HA GLY 58 1HA GLY 58 -8.032 5.808 5.098 332 HA PRO 59 HA PRO 59 -4.980 6.810 1.712 333 1HB PRO 59 2HB PRO 59 -3.592 4.705 3.302 334 2HB PRO 59 1HB PRO 59 -2.953 6.204 2.622 335 1HG PRO 59 2HG PRO 59 -3.449 5.998 5.231 336 2HG PRO 59 1HG PRO 59 -3.786 7.503 4.354 337 1HD PRO 59 2HD PRO 59 -5.675 5.406 5.325 338 2HD PRO 59 1HD PRO 59 -5.894 7.165 5.220 339 H GLY 60 H GLY 60 -5.393 3.556 3.131 340 1HA GLY 60 2HA GLY 60 -4.917 2.097 0.804 341 2HA GLY 60 1HA GLY 60 -5.863 1.528 2.169 342 H ASP 61 H ASP 61 -7.954 3.471 2.005 343 HA ASP 61 HA ASP 61 -9.559 2.234 -0.006 344 1HB ASP 61 2HB ASP 61 -10.148 3.390 2.356 345 2HB ASP 61 1HB ASP 61 -10.502 4.737 1.279 346 H LEU 62 H LEU 62 -7.813 5.237 0.323 347 HA LEU 62 HA LEU 62 -8.986 6.460 -1.983 348 1HB LEU 62 2HB LEU 62 -6.540 7.152 -0.363 349 2HB LEU 62 1HB LEU 62 -7.137 8.125 -1.694 350 HG LEU 62 HG LEU 62 -8.897 7.488 0.652 351 1HD1 LEU 62 1HD1 LEU 62 -6.736 8.489 1.433 352 2HD1 LEU 62 2HD1 LEU 62 -8.174 9.446 1.787 353 3HD1 LEU 62 3HD1 LEU 62 -7.116 9.905 0.454 354 1HD2 LEU 62 1HD2 LEU 62 -9.601 9.923 -0.144 355 2HD2 LEU 62 2HD2 LEU 62 -10.244 8.463 -0.897 356 3HD2 LEU 62 3HD2 LEU 62 -8.919 9.340 -1.662 357 H GLY 63 H GLY 63 -6.208 4.457 -1.322 358 1HA GLY 63 2HA GLY 63 -4.844 4.969 -3.777 359 2HA GLY 63 1HA GLY 63 -4.541 3.631 -2.679 360 H GLY 64 H GLY 64 -6.683 2.117 -2.666 361 1HA GLY 64 2HA GLY 64 -8.405 1.295 -4.264 362 2HA GLY 64 1HA GLY 64 -7.191 1.508 -5.515 363 H LEU 65 H LEU 65 -6.526 0.196 -2.321 364 HA LEU 65 HA LEU 65 -6.033 -2.420 -3.584 365 1HB LEU 65 2HB LEU 65 -4.243 -2.765 -1.953 366 2HB LEU 65 1HB LEU 65 -3.947 -1.362 -2.961 367 HG LEU 65 HG LEU 65 -5.245 -0.302 -0.755 368 1HD1 LEU 65 1HD1 LEU 65 -4.288 -1.190 1.198 369 2HD1 LEU 65 2HD1 LEU 65 -3.159 -2.193 0.288 370 3HD1 LEU 65 3HD1 LEU 65 -4.878 -2.585 0.293 371 1HD2 LEU 65 1HD2 LEU 65 -2.632 -0.237 -1.993 372 2HD2 LEU 65 2HD2 LEU 65 -2.529 -0.021 -0.246 373 3HD2 LEU 65 3HD2 LEU 65 -3.541 1.056 -1.211 374 H LYS 66 H LYS 66 -6.992 -4.154 -2.723 375 HA LYS 66 HA LYS 66 -8.397 -3.811 -0.154 376 1HB LYS 66 2HB LYS 66 -9.291 -4.811 -2.762 377 2HB LYS 66 1HB LYS 66 -9.699 -5.877 -1.423 378 1HG LYS 66 2HG LYS 66 -11.261 -4.485 -0.633 379 2HG LYS 66 1HG LYS 66 -10.266 -3.055 -0.911 380 1HD LYS 66 2HD LYS 66 -11.948 -2.685 -2.424 381 2HD LYS 66 1HD LYS 66 -10.805 -3.572 -3.433 382 1HE LYS 66 2HE LYS 66 -12.503 -5.416 -2.042 383 2HE LYS 66 1HE LYS 66 -13.488 -4.217 -2.877 384 1HZ LYS 66 1HZ LYS 66 -12.937 -6.207 -4.225 385 2HZ LYS 66 2HZ LYS 66 -11.308 -5.754 -4.178 386 3HZ LYS 66 3HZ LYS 66 -12.442 -4.752 -4.932 387 HA PRO 67 HA PRO 67 -6.630 -7.324 1.833 388 1HB PRO 67 2HB PRO 67 -8.745 -9.216 1.643 389 2HB PRO 67 1HB PRO 67 -8.355 -8.178 3.013 390 1HG PRO 67 2HG PRO 67 -10.382 -7.815 0.879 391 2HG PRO 67 1HG PRO 67 -10.399 -7.249 2.559 392 1HD PRO 67 2HD PRO 67 -9.975 -5.562 0.524 393 2HD PRO 67 1HD PRO 67 -9.121 -5.373 2.069 394 H TYR 68 H TYR 68 -5.434 -9.102 1.312 395 HA TYR 68 HA TYR 68 -4.739 -10.972 0.143 396 1HB TYR 68 2HB TYR 68 -6.561 -10.226 -2.142 397 2HB TYR 68 1HB TYR 68 -5.795 -11.778 -1.828 398 HD1 TYR 68 1HD TYR 68 -6.401 -12.302 0.956 399 HD2 TYR 68 2HD TYR 68 -8.852 -10.545 -2.045 400 HE1 TYR 68 1HE TYR 68 -8.407 -13.052 2.164 401 HE2 TYR 68 2HE TYR 68 -10.864 -11.289 -0.846 402 HH TYR 68 HH TYR 68 -11.332 -13.309 0.893 403 H ASP 69 H ASP 69 -4.936 -7.762 -1.032 404 HA ASP 69 HA ASP 69 -3.348 -7.783 -3.291 405 1HB ASP 69 2HB ASP 69 -3.766 -5.735 -1.127 406 2HB ASP 69 1HB ASP 69 -2.665 -5.427 -2.466 407 H ARG 70 H ARG 70 -1.765 -9.364 -2.987 408 HA ARG 70 HA ARG 70 0.146 -9.306 -0.904 409 1HB ARG 70 2HB ARG 70 -0.537 -11.239 -2.416 410 2HB ARG 70 1HB ARG 70 0.525 -10.534 -3.623 411 1HG ARG 70 2HG ARG 70 1.947 -10.727 -1.159 412 2HG ARG 70 1HG ARG 70 1.188 -12.281 -1.503 413 1HD ARG 70 2HD ARG 70 2.244 -11.421 -3.943 414 2HD ARG 70 1HD ARG 70 3.476 -11.035 -2.741 415 HE ARG 70 HE ARG 70 3.853 -13.277 -2.450 416 1HH1 ARG 70 1HH1 ARG 70 0.871 -12.842 -4.211 417 2HH1 ARG 70 2HH1 ARG 70 0.698 -14.525 -4.582 418 1HH2 ARG 70 1HH2 ARG 70 3.627 -15.489 -2.936 419 2HH2 ARG 70 2HH2 ARG 70 2.262 -16.028 -3.857 420 H LEU 71 H LEU 71 1.412 -7.564 -0.632 421 HA LEU 71 HA LEU 71 2.265 -5.823 -2.671 422 1HB LEU 71 2HB LEU 71 3.386 -6.314 0.085 423 2HB LEU 71 1HB LEU 71 3.894 -5.002 -0.959 424 HG LEU 71 HG LEU 71 1.117 -4.756 -0.839 425 1HD1 LEU 71 1HD1 LEU 71 1.670 -6.364 1.249 426 2HD1 LEU 71 2HD1 LEU 71 0.357 -5.186 1.234 427 3HD1 LEU 71 3HD1 LEU 71 1.894 -4.782 1.999 428 1HD2 LEU 71 1HD2 LEU 71 3.129 -3.278 0.847 429 2HD2 LEU 71 2HD2 LEU 71 1.577 -2.688 0.254 430 3HD2 LEU 71 3HD2 LEU 71 2.895 -2.993 -0.877 431 H LEU 72 H LEU 72 3.489 -6.473 -4.327 432 HA LEU 72 HA LEU 72 5.497 -8.522 -3.991 433 1HB LEU 72 2HB LEU 72 5.047 -6.875 -6.464 434 2HB LEU 72 1HB LEU 72 5.745 -8.478 -6.343 435 HG LEU 72 HG LEU 72 2.849 -7.692 -6.096 436 1HD1 LEU 72 1HD1 LEU 72 4.308 -9.643 -7.870 437 2HD1 LEU 72 2HD1 LEU 72 3.713 -8.054 -8.343 438 3HD1 LEU 72 3HD1 LEU 72 2.574 -9.322 -7.890 439 1HD2 LEU 72 1HD2 LEU 72 3.729 -9.399 -4.332 440 2HD2 LEU 72 2HD2 LEU 72 3.779 -10.505 -5.705 441 3HD2 LEU 72 3HD2 LEU 72 2.256 -9.750 -5.235 442 H GLN 73 H GLN 73 5.649 -5.266 -5.439 443 HA GLN 73 HA GLN 73 8.355 -5.003 -4.294 444 1HB GLN 73 2HB GLN 73 7.293 -3.919 -6.908 445 2HB GLN 73 1HB GLN 73 8.875 -3.538 -6.238 446 1HG GLN 73 2HG GLN 73 9.461 -5.928 -6.343 447 2HG GLN 73 1HG GLN 73 7.900 -6.255 -7.094 448 1HE2 GLN 73 1HE2 GLN 73 10.514 -3.886 -7.519 449 2HE2 GLN 73 2HE2 GLN 73 10.642 -4.083 -9.237 450 H VAL 74 H VAL 74 8.666 -3.370 -2.945 451 HA VAL 74 HA VAL 74 6.640 -1.236 -2.842 452 HB VAL 74 HB VAL 74 8.533 -2.095 -0.649 453 1HG1 VAL 74 1HG1 VAL 74 6.649 -0.786 0.656 454 2HG1 VAL 74 2HG1 VAL 74 6.466 0.027 -0.898 455 3HG1 VAL 74 3HG1 VAL 74 8.021 0.054 -0.066 456 1HG2 VAL 74 1HG2 VAL 74 6.497 -3.609 -1.504 457 2HG2 VAL 74 2HG2 VAL 74 5.619 -2.542 -0.409 458 3HG2 VAL 74 3HG2 VAL 74 6.969 -3.505 0.191 459 H ASN 75 H ASN 75 7.356 0.474 -3.963 460 HA ASN 75 HA ASN 75 8.600 2.327 -4.438 461 1HB ASN 75 2HB ASN 75 9.530 1.609 -1.882 462 2HB ASN 75 1HB ASN 75 10.973 1.876 -2.856 463 1HD2 ASN 75 1HD2 ASN 75 9.500 3.378 -0.649 464 2HD2 ASN 75 2HD2 ASN 75 9.413 5.002 -1.251 465 H HIS 76 H HIS 76 10.816 -0.347 -3.763 466 HA HIS 76 HA HIS 76 11.497 -0.729 -6.494 467 1HB HIS 76 2HB HIS 76 13.890 -0.079 -6.300 468 2HB HIS 76 1HB HIS 76 12.792 1.293 -6.191 469 HD1 HIS 76 1HD HIS 76 15.169 -0.758 -4.144 470 HD2 HIS 76 2HD HIS 76 12.798 2.631 -3.743 471 HE1 HIS 76 1HE HIS 76 15.892 0.318 -1.991 472 HE2 HIS 76 2HE HIS 76 14.387 2.321 -1.726 473 H VAL 77 H VAL 77 11.722 -1.467 -3.156 474 HA VAL 77 HA VAL 77 13.542 -3.697 -3.502 475 HB VAL 77 HB VAL 77 11.889 -3.024 -1.069 476 1HG1 VAL 77 1HG1 VAL 77 13.866 -4.200 0.043 477 2HG1 VAL 77 2HG1 VAL 77 14.259 -4.794 -1.569 478 3HG1 VAL 77 3HG1 VAL 77 12.710 -5.204 -0.833 479 1HG2 VAL 77 1HG2 VAL 77 13.630 -1.672 -0.256 480 2HG2 VAL 77 2HG2 VAL 77 13.403 -1.162 -1.929 481 3HG2 VAL 77 3HG2 VAL 77 14.750 -2.218 -1.504 482 H ARG 78 H ARG 78 12.954 -5.695 -4.038 483 HA ARG 78 HA ARG 78 10.241 -6.362 -4.555 484 1HB ARG 78 2HB ARG 78 12.639 -8.196 -4.382 485 2HB ARG 78 1HB ARG 78 11.095 -8.577 -5.132 486 1HG ARG 78 2HG ARG 78 11.951 -6.215 -6.355 487 2HG ARG 78 1HG ARG 78 13.386 -7.234 -6.232 488 1HD ARG 78 2HD ARG 78 11.452 -9.002 -7.057 489 2HD ARG 78 1HD ARG 78 11.013 -7.522 -7.909 490 HE ARG 78 HE ARG 78 12.805 -7.859 -9.268 491 1HH1 ARG 78 1HH1 ARG 78 13.379 -9.567 -6.279 492 2HH1 ARG 78 2HH1 ARG 78 14.863 -10.274 -6.822 493 1HH2 ARG 78 1HH2 ARG 78 14.757 -8.789 -9.984 494 2HH2 ARG 78 2HH2 ARG 78 15.647 -9.833 -8.926 495 H THR 79 H THR 79 9.208 -6.025 -2.529 496 HA THR 79 HA THR 79 9.921 -7.838 -0.356 497 HB THR 79 HB THR 79 8.512 -6.521 1.042 498 HG1 THR 79 1HG THR 79 7.485 -5.492 -1.377 499 1HG2 THR 79 1HG2 THR 79 10.667 -5.427 0.112 500 2HG2 THR 79 2HG2 THR 79 9.504 -4.451 1.010 501 3HG2 THR 79 3HG2 THR 79 9.543 -4.377 -0.751 502 H ARG 80 H ARG 80 8.956 -9.173 -2.565 503 HA ARG 80 HA ARG 80 6.132 -9.673 -2.252 504 1HB ARG 80 2HB ARG 80 7.816 -9.929 -4.356 505 2HB ARG 80 1HB ARG 80 7.781 -11.591 -3.786 506 1HG ARG 80 2HG ARG 80 5.121 -10.848 -3.779 507 2HG ARG 80 1HG ARG 80 5.770 -10.072 -5.222 508 1HD ARG 80 2HD ARG 80 6.877 -12.619 -5.255 509 2HD ARG 80 1HD ARG 80 5.220 -12.871 -4.710 510 HE ARG 80 HE ARG 80 4.479 -12.306 -6.803 511 1HH1 ARG 80 1HH1 ARG 80 7.816 -11.334 -6.482 512 2HH1 ARG 80 2HH1 ARG 80 7.989 -10.931 -8.157 513 1HH2 ARG 80 1HH2 ARG 80 4.706 -11.776 -9.006 514 2HH2 ARG 80 2HH2 ARG 80 6.225 -11.181 -9.589 515 H ASP 81 H ASP 81 9.140 -11.457 -1.632 516 HA ASP 81 HA ASP 81 7.650 -13.529 -0.221 517 1HB ASP 81 2HB ASP 81 10.581 -13.294 -0.925 518 2HB ASP 81 1HB ASP 81 9.876 -14.654 -0.058 519 H PHE 82 H PHE 82 8.097 -10.691 0.774 520 HA PHE 82 HA PHE 82 9.792 -11.013 3.082 521 1HB PHE 82 2HB PHE 82 8.149 -8.808 1.916 522 2HB PHE 82 1HB PHE 82 8.584 -8.713 3.618 523 HD1 PHE 82 1HD PHE 82 10.022 -6.853 3.529 524 HD2 PHE 82 2HD PHE 82 10.684 -10.175 0.954 525 HE1 PHE 82 1HE PHE 82 12.220 -5.933 2.915 526 HE2 PHE 82 2HE PHE 82 12.885 -9.264 0.337 527 HZ PHE 82 HZ PHE 82 13.655 -7.140 1.319 528 H ASP 83 H ASP 83 8.840 -10.300 5.260 529 HA ASP 83 HA ASP 83 6.365 -11.826 5.695 530 1HB ASP 83 2HB ASP 83 8.798 -11.332 7.364 531 2HB ASP 83 1HB ASP 83 7.262 -11.632 8.171 532 H CYS 84 H CYS 84 4.894 -11.012 7.377 533 HA CYS 84 HA CYS 84 4.019 -8.439 6.910 534 1HB CYS 84 2HB CYS 84 2.778 -8.686 9.104 535 2HB CYS 84 1HB CYS 84 2.524 -9.979 7.938 536 HG CYS 84 HG CYS 84 4.501 -11.198 9.517 537 H CYS 85 H CYS 85 6.182 -9.603 9.452 538 HA CYS 85 HA CYS 85 6.403 -7.192 10.855 539 1HB CYS 85 2HB CYS 85 7.940 -9.727 10.731 540 2HB CYS 85 1HB CYS 85 8.761 -8.331 11.419 541 HG CYS 85 HG CYS 85 6.681 -9.985 12.806 542 H LEU 86 H LEU 86 7.792 -8.252 7.882 543 HA LEU 86 HA LEU 86 9.847 -6.182 7.927 544 1HB LEU 86 2HB LEU 86 9.389 -8.666 6.459 545 2HB LEU 86 1HB LEU 86 9.916 -7.353 5.425 546 HG LEU 86 HG LEU 86 11.552 -7.453 7.797 547 1HD1 LEU 86 1HD1 LEU 86 12.681 -9.636 7.118 548 2HD1 LEU 86 2HD1 LEU 86 11.177 -10.016 6.281 549 3HD1 LEU 86 3HD1 LEU 86 11.173 -9.754 8.025 550 1HD2 LEU 86 1HD2 LEU 86 12.632 -8.208 5.157 551 2HD2 LEU 86 2HD2 LEU 86 13.198 -7.006 6.317 552 3HD2 LEU 86 3HD2 LEU 86 11.839 -6.636 5.257 553 H VAL 87 H VAL 87 6.774 -6.917 6.445 554 HA VAL 87 HA VAL 87 6.941 -4.809 4.500 555 HB VAL 87 HB VAL 87 4.546 -6.427 5.381 556 1HG1 VAL 87 1HG1 VAL 87 4.886 -4.222 3.489 557 2HG1 VAL 87 2HG1 VAL 87 3.419 -4.872 4.223 558 3HG1 VAL 87 3HG1 VAL 87 4.108 -5.645 2.795 559 1HG2 VAL 87 1HG2 VAL 87 6.282 -6.804 2.949 560 2HG2 VAL 87 2HG2 VAL 87 4.961 -7.834 3.493 561 3HG2 VAL 87 3HG2 VAL 87 6.447 -7.739 4.433 562 H VAL 88 H VAL 88 5.498 -5.239 7.698 563 HA VAL 88 HA VAL 88 3.859 -2.988 7.724 564 HB VAL 88 HB VAL 88 5.347 -4.200 10.062 565 1HG1 VAL 88 1HG1 VAL 88 4.681 -2.263 11.033 566 2HG1 VAL 88 2HG1 VAL 88 3.158 -3.142 11.168 567 3HG1 VAL 88 3HG1 VAL 88 3.396 -1.988 9.856 568 1HG2 VAL 88 1HG2 VAL 88 2.469 -4.650 9.772 569 2HG2 VAL 88 2HG2 VAL 88 3.758 -5.777 10.197 570 3HG2 VAL 88 3HG2 VAL 88 3.451 -5.386 8.505 571 HA PRO 89 HA PRO 89 7.627 -0.457 9.406 572 1HB PRO 89 2HB PRO 89 9.993 -2.004 8.640 573 2HB PRO 89 1HB PRO 89 9.559 -1.338 10.216 574 1HG PRO 89 2HG PRO 89 9.541 -3.990 9.722 575 2HG PRO 89 1HG PRO 89 8.400 -3.225 10.844 576 1HD PRO 89 2HD PRO 89 7.976 -4.079 8.005 577 2HD PRO 89 1HD PRO 89 6.911 -4.285 9.406 578 H LEU 90 H LEU 90 8.568 -2.495 6.622 579 HA LEU 90 HA LEU 90 9.881 -0.574 5.129 580 1HB LEU 90 2HB LEU 90 8.286 -2.991 4.345 581 2HB LEU 90 1HB LEU 90 9.036 -1.970 3.133 582 HG LEU 90 HG LEU 90 10.569 -3.301 5.364 583 1HD1 LEU 90 1HD1 LEU 90 9.331 -4.678 3.401 584 2HD1 LEU 90 2HD1 LEU 90 10.858 -5.163 4.138 585 3HD1 LEU 90 3HD1 LEU 90 10.857 -4.286 2.609 586 1HD2 LEU 90 1HD2 LEU 90 12.441 -2.409 4.475 587 2HD2 LEU 90 2HD2 LEU 90 11.317 -1.190 3.875 588 3HD2 LEU 90 3HD2 LEU 90 11.835 -2.507 2.822 589 H ILE 91 H ILE 91 6.479 -1.107 5.604 590 HA ILE 91 HA ILE 91 5.621 0.636 3.484 591 HB ILE 91 HB ILE 91 4.188 -0.700 5.775 592 1HG1 ILE 91 2HG1 ILE 91 3.747 -1.026 2.811 593 2HG1 ILE 91 1HG1 ILE 91 4.955 -1.962 3.689 594 1HG2 ILE 91 1HG2 ILE 91 2.254 0.266 3.999 595 2HG2 ILE 91 2HG2 ILE 91 3.326 1.627 4.322 596 3HG2 ILE 91 3HG2 ILE 91 2.544 0.787 5.658 597 1HD1 ILE 91 1HD1 ILE 91 2.830 -3.160 3.372 598 2HD1 ILE 91 2HD1 ILE 91 2.016 -1.922 4.331 599 3HD1 ILE 91 3HD1 ILE 91 3.249 -2.943 5.072 600 H ALA 92 H ALA 92 5.968 0.843 6.994 601 HA ALA 92 HA ALA 92 4.943 3.480 7.189 602 1HB ALA 92 1HB ALA 92 6.644 2.084 9.228 603 2HB ALA 92 2HB ALA 92 4.930 1.739 9.004 604 3HB ALA 92 3HB ALA 92 5.448 3.353 9.491 605 H GLU 93 H GLU 93 7.837 2.390 5.963 606 HA GLU 93 HA GLU 93 9.289 4.786 6.868 607 1HB GLU 93 2HB GLU 93 11.331 3.636 6.142 608 2HB GLU 93 1HB GLU 93 10.437 2.688 7.324 609 1HG GLU 93 2HG GLU 93 9.609 1.230 5.634 610 2HG GLU 93 1HG GLU 93 10.262 2.251 4.358 611 H SER 94 H SER 94 7.481 3.774 4.283 612 HA SER 94 HA SER 94 9.039 4.600 2.089 613 1HB SER 94 2HB SER 94 6.883 3.232 2.049 614 2HB SER 94 1HB SER 94 6.033 4.771 2.191 615 HG SER 94 HG SER 94 7.644 3.817 0.087 616 H GLY 95 H GLY 95 7.550 6.397 4.547 617 1HA GLY 95 2HA GLY 95 7.991 8.709 4.849 618 2HA GLY 95 1HA GLY 95 8.187 8.868 3.110 619 H ASN 96 H ASN 96 6.768 10.543 2.821 620 HA ASN 96 HA ASN 96 4.136 10.545 3.925 621 1HB ASN 96 2HB ASN 96 5.799 12.342 2.371 622 2HB ASN 96 1HB ASN 96 4.145 12.322 1.765 623 1HD2 ASN 96 1HD2 ASN 96 5.746 12.243 4.936 624 2HD2 ASN 96 2HD2 ASN 96 4.764 13.481 5.649 625 H LYS 97 H LYS 97 5.496 8.882 1.329 626 HA LYS 97 HA LYS 97 2.828 8.233 0.322 627 1HB LYS 97 2HB LYS 97 5.167 9.093 -1.381 628 2HB LYS 97 1HB LYS 97 3.760 8.257 -2.025 629 1HG LYS 97 2HG LYS 97 2.325 10.084 -1.312 630 2HG LYS 97 1HG LYS 97 3.713 10.914 -0.611 631 1HD LYS 97 2HD LYS 97 3.298 11.904 -2.738 632 2HD LYS 97 1HD LYS 97 4.748 10.913 -2.897 633 1HE LYS 97 2HE LYS 97 3.764 9.472 -4.326 634 2HE LYS 97 1HE LYS 97 2.216 9.537 -3.484 635 1HZ LYS 97 1HZ LYS 97 1.540 10.735 -5.219 636 2HZ LYS 97 2HZ LYS 97 3.114 11.022 -5.770 637 3HZ LYS 97 3HZ LYS 97 2.444 12.012 -4.573 638 H LEU 98 H LEU 98 2.739 6.203 -0.846 639 HA LEU 98 HA LEU 98 5.062 4.455 -0.470 640 1HB LEU 98 2HB LEU 98 2.971 4.380 1.278 641 2HB LEU 98 1HB LEU 98 2.463 3.191 0.098 642 HG LEU 98 HG LEU 98 4.797 3.115 1.973 643 1HD1 LEU 98 1HD1 LEU 98 2.642 2.060 2.540 644 2HD1 LEU 98 2HD1 LEU 98 3.964 0.900 2.416 645 3HD1 LEU 98 3HD1 LEU 98 2.789 1.041 1.110 646 1HD2 LEU 98 1HD2 LEU 98 6.098 2.514 0.215 647 2HD2 LEU 98 2HD2 LEU 98 4.725 2.050 -0.789 648 3HD2 LEU 98 3HD2 LEU 98 5.306 0.960 0.469 649 H ASP 99 H ASP 99 5.466 4.241 -2.634 650 HA ASP 99 HA ASP 99 3.283 3.433 -4.404 651 1HB ASP 99 2HB ASP 99 5.707 4.912 -4.748 652 2HB ASP 99 1HB ASP 99 5.789 3.479 -5.769 653 H LEU 100 H LEU 100 2.871 1.334 -4.661 654 HA LEU 100 HA LEU 100 5.097 -0.545 -4.822 655 1HB LEU 100 2HB LEU 100 3.810 -2.095 -3.245 656 2HB LEU 100 1HB LEU 100 4.728 -0.778 -2.541 657 HG LEU 100 HG LEU 100 2.336 0.433 -2.777 658 1HD1 LEU 100 1HD1 LEU 100 1.685 -2.143 -3.477 659 2HD1 LEU 100 2HD1 LEU 100 0.565 -0.916 -2.887 660 3HD1 LEU 100 3HD1 LEU 100 1.271 -2.078 -1.764 661 1HD2 LEU 100 1HD2 LEU 100 1.978 -0.544 -0.362 662 2HD2 LEU 100 2HD2 LEU 100 3.301 0.569 -0.710 663 3HD2 LEU 100 3HD2 LEU 100 3.609 -1.164 -0.616 664 H VAL 101 H VAL 101 4.406 -2.722 -5.465 665 HA VAL 101 HA VAL 101 2.005 -2.635 -7.178 666 HB VAL 101 HB VAL 101 4.526 -4.245 -7.621 667 1HG1 VAL 101 1HG1 VAL 101 2.654 -5.389 -8.552 668 2HG1 VAL 101 2HG1 VAL 101 3.514 -4.613 -9.880 669 3HG1 VAL 101 3HG1 VAL 101 2.023 -3.904 -9.260 670 1HG2 VAL 101 1HG2 VAL 101 4.414 -2.576 -9.725 671 2HG2 VAL 101 2HG2 VAL 101 5.320 -2.226 -8.252 672 3HG2 VAL 101 3HG2 VAL 101 3.710 -1.543 -8.482 673 H ILE 102 H ILE 102 0.448 -3.761 -6.182 674 HA ILE 102 HA ILE 102 1.176 -6.167 -4.664 675 HB ILE 102 HB ILE 102 -1.037 -6.026 -3.656 676 1HG1 ILE 102 2HG1 ILE 102 -2.254 -3.738 -4.209 677 2HG1 ILE 102 1HG1 ILE 102 -1.415 -3.929 -5.748 678 1HG2 ILE 102 1HG2 ILE 102 -0.299 -3.216 -3.337 679 2HG2 ILE 102 2HG2 ILE 102 1.059 -4.331 -3.179 680 3HG2 ILE 102 3HG2 ILE 102 -0.360 -4.516 -2.147 681 1HD1 ILE 102 1HD1 ILE 102 -2.634 -5.764 -6.341 682 2HD1 ILE 102 2HD1 ILE 102 -3.827 -4.870 -5.400 683 3HD1 ILE 102 3HD1 ILE 102 -2.963 -6.224 -4.672 684 H SER 103 H SER 103 -0.512 -7.946 -4.736 685 HA SER 103 HA SER 103 -1.727 -8.260 -7.381 686 1HB SER 103 2HB SER 103 0.696 -9.459 -6.757 687 2HB SER 103 1HB SER 103 -0.482 -10.737 -6.467 688 HG SER 103 HG SER 103 -1.319 -10.180 -8.612 689 H ARG 104 H ARG 104 -3.772 -8.880 -7.152 690 HA ARG 104 HA ARG 104 -4.480 -10.628 -4.898 691 1HB ARG 104 2HB ARG 104 -5.123 -8.403 -4.222 692 2HB ARG 104 1HB ARG 104 -5.927 -8.119 -5.759 693 1HG ARG 104 2HG ARG 104 -6.905 -10.444 -4.254 694 2HG ARG 104 1HG ARG 104 -7.180 -8.876 -3.490 695 1HD ARG 104 2HD ARG 104 -7.932 -9.549 -6.330 696 2HD ARG 104 1HD ARG 104 -9.042 -9.624 -4.962 697 HE ARG 104 HE ARG 104 -7.929 -7.080 -4.975 698 1HH1 ARG 104 1HH1 ARG 104 -9.959 -9.029 -7.037 699 2HH1 ARG 104 2HH1 ARG 104 -10.794 -7.670 -7.710 700 1HH2 ARG 104 1HH2 ARG 104 -9.025 -5.291 -5.862 701 2HH2 ARG 104 2HH2 ARG 104 -10.263 -5.547 -7.044 702 H ASN 105 H ASN 105 -5.946 -12.205 -5.332 703 HA ASN 105 HA ASN 105 -6.554 -12.712 -8.106 704 1HB ASN 105 2HB ASN 105 -7.554 -14.332 -5.769 705 2HB ASN 105 1HB ASN 105 -7.244 -14.868 -7.416 706 1HD2 ASN 105 1HD2 ASN 105 -5.792 -13.935 -4.384 707 2HD2 ASN 105 2HD2 ASN 105 -4.242 -14.655 -4.681 708 HA PRO 106 HA PRO 106 -10.674 -11.128 -8.130 709 1HB PRO 106 2HB PRO 106 -11.886 -12.735 -9.928 710 2HB PRO 106 1HB PRO 106 -10.656 -11.554 -10.396 711 1HG PRO 106 2HG PRO 106 -10.381 -14.502 -9.961 712 2HG PRO 106 1HG PRO 106 -9.702 -13.494 -11.252 713 1HD PRO 106 2HD PRO 106 -8.267 -14.305 -9.088 714 2HD PRO 106 1HD PRO 106 -7.950 -12.785 -9.948 Start of MODEL 9 1 1H SER 16 1HT SER 16 -9.728 -13.366 -8.688 2 2H SER 16 2HT SER 16 -11.157 -14.236 -9.058 3 3H SER 16 3HT SER 16 -10.633 -12.967 -10.087 4 HA SER 16 HA SER 16 -9.971 -14.773 -11.226 5 1HB SER 16 2HB SER 16 -7.883 -13.551 -9.510 6 2HB SER 16 1HB SER 16 -7.422 -15.025 -10.361 7 HG SER 16 HG SER 16 -7.898 -14.040 -12.297 8 HA PRO 17 HA PRO 17 -10.503 -18.765 -9.381 9 1HB PRO 17 2HB PRO 17 -8.364 -19.634 -11.263 10 2HB PRO 17 1HB PRO 17 -9.984 -20.295 -11.019 11 1HG PRO 17 2HG PRO 17 -9.433 -18.813 -13.160 12 2HG PRO 17 1HG PRO 17 -10.991 -18.665 -12.327 13 1HD PRO 17 2HD PRO 17 -8.622 -16.848 -12.258 14 2HD PRO 17 1HD PRO 17 -10.353 -16.451 -12.225 15 H THR 18 H THR 18 -7.379 -17.272 -9.726 16 HA THR 18 HA THR 18 -6.498 -17.830 -7.177 17 HB THR 18 HB THR 18 -5.856 -19.956 -9.157 18 HG1 THR 18 1HG THR 18 -7.000 -20.775 -7.582 19 1HG2 THR 18 1HG2 THR 18 -3.907 -20.544 -7.497 20 2HG2 THR 18 2HG2 THR 18 -3.823 -18.789 -7.334 21 3HG2 THR 18 3HG2 THR 18 -3.629 -19.539 -8.919 22 HA PRO 19 HA PRO 19 -2.765 -16.343 -10.019 23 1HB PRO 19 2HB PRO 19 -4.333 -15.665 -12.447 24 2HB PRO 19 1HB PRO 19 -2.720 -16.369 -12.309 25 1HG PRO 19 2HG PRO 19 -4.800 -17.863 -13.040 26 2HG PRO 19 1HG PRO 19 -3.538 -18.511 -11.974 27 1HD PRO 19 2HD PRO 19 -6.284 -17.544 -11.292 28 2HD PRO 19 1HD PRO 19 -5.381 -18.928 -10.643 29 H VAL 20 H VAL 20 -3.042 -14.700 -8.462 30 HA VAL 20 HA VAL 20 -4.861 -12.668 -8.352 31 HB VAL 20 HB VAL 20 -3.010 -11.256 -7.376 32 1HG1 VAL 20 1HG1 VAL 20 -4.434 -13.234 -6.278 33 2HG1 VAL 20 2HG1 VAL 20 -3.235 -12.301 -5.381 34 3HG1 VAL 20 3HG1 VAL 20 -2.812 -13.883 -6.035 35 1HG2 VAL 20 1HG2 VAL 20 -1.100 -11.997 -8.555 36 2HG2 VAL 20 2HG2 VAL 20 -1.408 -13.684 -8.147 37 3HG2 VAL 20 3HG2 VAL 20 -0.890 -12.555 -6.895 38 H GLU 21 H GLU 21 -4.392 -10.285 -8.799 39 HA GLU 21 HA GLU 21 -3.261 -9.969 -11.502 40 1HB GLU 21 2HB GLU 21 -5.943 -9.544 -10.637 41 2HB GLU 21 1HB GLU 21 -5.247 -7.973 -11.014 42 1HG GLU 21 2HG GLU 21 -4.471 -9.087 -13.201 43 2HG GLU 21 1HG GLU 21 -5.657 -10.330 -12.806 44 H LEU 22 H LEU 22 -1.622 -8.589 -11.574 45 HA LEU 22 HA LEU 22 -0.727 -7.133 -9.356 46 1HB LEU 22 2HB LEU 22 -0.020 -7.235 -12.244 47 2HB LEU 22 1HB LEU 22 0.621 -5.922 -11.275 48 HG LEU 22 HG LEU 22 0.999 -8.854 -10.692 49 1HD1 LEU 22 1HD1 LEU 22 2.402 -8.582 -12.470 50 2HD1 LEU 22 2HD1 LEU 22 3.459 -8.008 -11.180 51 3HD1 LEU 22 3HD1 LEU 22 2.597 -6.851 -12.195 52 1HD2 LEU 22 1HD2 LEU 22 2.885 -7.532 -9.272 53 2HD2 LEU 22 2HD2 LEU 22 1.325 -8.035 -8.620 54 3HD2 LEU 22 3HD2 LEU 22 1.550 -6.383 -9.194 55 H HIS 23 H HIS 23 -0.897 -5.048 -8.734 56 HA HIS 23 HA HIS 23 -2.303 -3.129 -10.421 57 1HB HIS 23 2HB HIS 23 -3.228 -3.965 -7.671 58 2HB HIS 23 1HB HIS 23 -3.720 -2.455 -8.423 59 HD1 HIS 23 1HD HIS 23 -4.026 -3.844 -11.324 60 HD2 HIS 23 2HD HIS 23 -5.806 -5.017 -7.755 61 HE1 HIS 23 1HE HIS 23 -6.078 -5.138 -11.989 62 HE2 HIS 23 2HE HIS 23 -7.101 -5.898 -9.816 63 H LYS 24 H LYS 24 -1.146 -1.315 -10.425 64 HA LYS 24 HA LYS 24 0.939 -0.862 -8.512 65 1HB LYS 24 2HB LYS 24 0.788 -0.149 -11.030 66 2HB LYS 24 1HB LYS 24 -0.050 1.259 -10.389 67 1HG LYS 24 2HG LYS 24 2.030 2.108 -10.314 68 2HG LYS 24 1HG LYS 24 2.098 1.239 -8.781 69 1HD LYS 24 2HD LYS 24 3.901 0.204 -9.591 70 2HD LYS 24 1HD LYS 24 2.799 -0.674 -10.654 71 1HE LYS 24 2HE LYS 24 4.439 0.226 -12.075 72 2HE LYS 24 1HE LYS 24 3.041 1.283 -12.260 73 1HZ LYS 24 1HZ LYS 24 4.570 2.874 -11.917 74 2HZ LYS 24 2HZ LYS 24 5.650 1.842 -11.121 75 3HZ LYS 24 3HZ LYS 24 4.338 2.504 -10.281 76 H VAL 25 H VAL 25 0.536 -0.154 -6.516 77 HA VAL 25 HA VAL 25 -1.655 1.780 -6.149 78 HB VAL 25 HB VAL 25 -0.968 0.607 -3.647 79 1HG1 VAL 25 1HG1 VAL 25 -3.113 1.326 -3.720 80 2HG1 VAL 25 2HG1 VAL 25 -3.402 -0.362 -4.138 81 3HG1 VAL 25 3HG1 VAL 25 -3.331 0.860 -5.406 82 1HG2 VAL 25 1HG2 VAL 25 -1.413 -1.722 -3.980 83 2HG2 VAL 25 2HG2 VAL 25 -0.072 -1.266 -5.027 84 3HG2 VAL 25 3HG2 VAL 25 -1.687 -1.477 -5.704 85 H THR 26 H THR 26 -1.319 3.598 -5.000 86 HA THR 26 HA THR 26 1.306 4.009 -3.754 87 HB THR 26 HB THR 26 -0.083 5.947 -5.619 88 HG1 THR 26 1HG THR 26 1.592 5.531 -6.994 89 1HG2 THR 26 1HG2 THR 26 1.583 7.504 -5.268 90 2HG2 THR 26 2HG2 THR 26 2.670 6.327 -4.531 91 3HG2 THR 26 3HG2 THR 26 1.261 6.904 -3.641 92 H LEU 27 H LEU 27 0.747 4.198 -1.658 93 HA LEU 27 HA LEU 27 -1.669 5.702 -0.963 94 1HB LEU 27 2HB LEU 27 0.065 4.085 0.893 95 2HB LEU 27 1HB LEU 27 -1.569 4.657 1.179 96 HG LEU 27 HG LEU 27 -1.949 3.126 -1.037 97 1HD1 LEU 27 1HD1 LEU 27 -0.745 1.004 -0.622 98 2HD1 LEU 27 2HD1 LEU 27 0.253 1.841 0.567 99 3HD1 LEU 27 3HD1 LEU 27 0.312 2.321 -1.131 100 1HD2 LEU 27 1HD2 LEU 27 -3.457 2.721 0.609 101 2HD2 LEU 27 2HD2 LEU 27 -2.234 2.712 1.881 102 3HD2 LEU 27 3HD2 LEU 27 -2.436 1.301 0.841 103 H TYR 28 H TYR 28 -1.517 7.002 1.101 104 HA TYR 28 HA TYR 28 1.034 8.467 1.208 105 1HB TYR 28 2HB TYR 28 -1.658 9.764 1.610 106 2HB TYR 28 1HB TYR 28 -0.102 10.548 1.362 107 HD1 TYR 28 1HD TYR 28 0.559 11.190 -0.785 108 HD2 TYR 28 2HD TYR 28 -2.603 8.379 -0.340 109 HE1 TYR 28 1HE TYR 28 0.114 11.319 -3.199 110 HE2 TYR 28 2HE TYR 28 -3.058 8.499 -2.754 111 HH TYR 28 HH TYR 28 -2.488 10.583 -4.632 112 H LYS 29 H LYS 29 1.733 9.153 3.218 113 HA LYS 29 HA LYS 29 0.306 7.959 5.492 114 1HB LYS 29 2HB LYS 29 2.915 7.668 4.754 115 2HB LYS 29 1HB LYS 29 3.037 8.972 5.927 116 1HG LYS 29 2HG LYS 29 1.709 7.497 7.499 117 2HG LYS 29 1HG LYS 29 1.990 6.192 6.346 118 1HD LYS 29 2HD LYS 29 3.809 5.852 7.659 119 2HD LYS 29 1HD LYS 29 4.498 7.081 6.595 120 1HE LYS 29 2HE LYS 29 4.453 8.697 8.202 121 2HE LYS 29 1HE LYS 29 3.035 8.017 9.000 122 1HZ LYS 29 1HZ LYS 29 4.584 6.146 9.692 123 2HZ LYS 29 2HZ LYS 29 4.795 7.638 10.462 124 3HZ LYS 29 3HZ LYS 29 5.856 7.164 9.234 125 H ASP 30 H ASP 30 0.329 9.129 7.539 126 HA ASP 30 HA ASP 30 0.464 12.050 7.214 127 1HB ASP 30 2HB ASP 30 -1.903 11.155 7.131 128 2HB ASP 30 1HB ASP 30 -1.685 10.637 8.800 129 H SER 31 H SER 31 1.247 13.193 8.939 130 HA SER 31 HA SER 31 2.972 11.929 10.730 131 1HB SER 31 2HB SER 31 3.141 14.110 11.847 132 2HB SER 31 1HB SER 31 3.180 14.299 10.094 133 HG SER 31 HG SER 31 0.881 14.634 11.727 134 H GLY 32 H GLY 32 -0.424 12.665 10.981 135 1HA GLY 32 2HA GLY 32 -0.500 12.160 13.839 136 2HA GLY 32 1HA GLY 32 -1.871 12.547 12.810 137 H MET 33 H MET 33 -0.922 10.364 10.913 138 HA MET 33 HA MET 33 -2.469 8.259 12.133 139 1HB MET 33 2HB MET 33 -1.321 8.790 9.438 140 2HB MET 33 1HB MET 33 -1.656 7.117 9.864 141 1HG MET 33 2HG MET 33 -3.767 9.174 10.292 142 2HG MET 33 1HG MET 33 -3.450 8.582 8.661 143 1HE MET 33 1HE MET 33 -4.862 5.211 8.431 144 2HE MET 33 2HE MET 33 -3.131 5.351 8.734 145 3HE MET 33 3HE MET 33 -3.951 6.550 7.733 146 H GLU 34 H GLU 34 -1.702 5.996 12.128 147 HA GLU 34 HA GLU 34 1.103 5.876 12.996 148 1HB GLU 34 2HB GLU 34 -1.089 5.167 14.412 149 2HB GLU 34 1HB GLU 34 -0.702 3.631 13.649 150 1HG GLU 34 2HG GLU 34 1.503 5.123 14.955 151 2HG GLU 34 1HG GLU 34 0.305 4.343 15.986 152 H ASP 35 H ASP 35 -0.935 4.970 10.492 153 HA ASP 35 HA ASP 35 1.121 3.321 9.318 154 1HB ASP 35 2HB ASP 35 -1.014 2.074 10.697 155 2HB ASP 35 1HB ASP 35 -1.321 1.848 8.977 156 H PHE 36 H PHE 36 -0.296 2.234 7.220 157 HA PHE 36 HA PHE 36 -1.040 4.652 5.760 158 1HB PHE 36 2HB PHE 36 0.154 2.052 5.014 159 2HB PHE 36 1HB PHE 36 -0.926 2.785 3.830 160 HD1 PHE 36 1HD PHE 36 2.275 3.047 5.552 161 HD2 PHE 36 2HD PHE 36 -0.375 4.926 2.802 162 HE1 PHE 36 1HE PHE 36 4.090 4.545 4.829 163 HE2 PHE 36 2HE PHE 36 1.438 6.425 2.074 164 HZ PHE 36 HZ PHE 36 3.672 6.235 3.089 165 H GLY 37 H GLY 37 -2.897 3.462 7.621 166 1HA GLY 37 2HA GLY 37 -5.087 2.754 7.757 167 2HA GLY 37 1HA GLY 37 -5.280 3.673 6.270 168 H PHE 38 H PHE 38 -3.372 0.762 6.804 169 HA PHE 38 HA PHE 38 -5.206 -1.085 5.726 170 1HB PHE 38 2HB PHE 38 -4.872 -1.005 3.508 171 2HB PHE 38 1HB PHE 38 -4.247 0.601 3.798 172 HD1 PHE 38 1HD PHE 38 -3.184 -2.944 3.515 173 HD2 PHE 38 2HD PHE 38 -2.123 1.154 3.113 174 HE1 PHE 38 1HE PHE 38 -1.070 -3.598 2.450 175 HE2 PHE 38 2HE PHE 38 -0.002 0.511 2.050 176 HZ PHE 38 HZ PHE 38 0.516 -1.881 1.703 177 H SER 39 H SER 39 -4.546 -2.883 6.789 178 HA SER 39 HA SER 39 -1.672 -3.194 7.312 179 1HB SER 39 2HB SER 39 -2.754 -5.018 8.946 180 2HB SER 39 1HB SER 39 -2.593 -3.320 9.396 181 HG SER 39 HG SER 39 -4.707 -4.117 9.772 182 H VAL 40 H VAL 40 -0.695 -5.257 7.204 183 HA VAL 40 HA VAL 40 -1.946 -7.060 5.238 184 HB VAL 40 HB VAL 40 0.306 -7.672 4.510 185 1HG1 VAL 40 1HG1 VAL 40 -0.510 -6.046 3.116 186 2HG1 VAL 40 2HG1 VAL 40 0.959 -5.265 3.699 187 3HG1 VAL 40 3HG1 VAL 40 -0.603 -4.840 4.398 188 1HG2 VAL 40 1HG2 VAL 40 1.626 -7.362 6.452 189 2HG2 VAL 40 2HG2 VAL 40 1.159 -5.666 6.585 190 3HG2 VAL 40 3HG2 VAL 40 2.212 -6.192 5.271 191 H ALA 41 H ALA 41 -0.983 -9.336 5.355 192 HA ALA 41 HA ALA 41 -0.531 -10.119 8.158 193 1HB ALA 41 1HB ALA 41 -2.001 -12.079 6.563 194 2HB ALA 41 2HB ALA 41 -2.877 -10.573 6.835 195 3HB ALA 41 3HB ALA 41 -2.286 -11.509 8.207 196 H ASP 42 H ASP 42 0.087 -12.588 8.171 197 HA ASP 42 HA ASP 42 2.459 -12.802 6.520 198 1HB ASP 42 2HB ASP 42 1.527 -13.915 9.046 199 2HB ASP 42 1HB ASP 42 2.249 -15.145 8.013 200 H GLY 43 H GLY 43 2.847 -14.315 4.957 201 1HA GLY 43 2HA GLY 43 0.488 -15.853 4.075 202 2HA GLY 43 1HA GLY 43 1.737 -15.238 3.003 203 H LEU 44 H LEU 44 0.689 -17.858 4.902 204 HA LEU 44 HA LEU 44 3.283 -19.185 4.811 205 1HB LEU 44 2HB LEU 44 0.702 -19.716 6.210 206 2HB LEU 44 1HB LEU 44 1.807 -21.049 5.938 207 HG LEU 44 HG LEU 44 3.482 -19.189 7.025 208 1HD1 LEU 44 1HD1 LEU 44 1.252 -17.869 7.404 209 2HD1 LEU 44 2HD1 LEU 44 2.490 -17.923 8.659 210 3HD1 LEU 44 3HD1 LEU 44 1.078 -18.973 8.769 211 1HD2 LEU 44 1HD2 LEU 44 3.711 -20.703 8.703 212 2HD2 LEU 44 2HD2 LEU 44 2.783 -21.695 7.580 213 3HD2 LEU 44 3HD2 LEU 44 1.971 -20.891 8.923 214 H LEU 45 H LEU 45 0.147 -19.276 3.367 215 HA LEU 45 HA LEU 45 0.626 -21.754 1.965 216 1HB LEU 45 2HB LEU 45 -1.566 -21.183 0.848 217 2HB LEU 45 1HB LEU 45 -1.614 -21.438 2.584 218 HG LEU 45 HG LEU 45 -1.166 -18.657 2.021 219 1HD1 LEU 45 1HD1 LEU 45 -3.731 -19.733 0.874 220 2HD1 LEU 45 2HD1 LEU 45 -2.334 -19.296 -0.110 221 3HD1 LEU 45 3HD1 LEU 45 -3.150 -18.069 0.858 222 1HD2 LEU 45 1HD2 LEU 45 -3.256 -18.445 3.361 223 2HD2 LEU 45 2HD2 LEU 45 -2.006 -19.424 4.126 224 3HD2 LEU 45 3HD2 LEU 45 -3.384 -20.204 3.350 225 H GLU 46 H GLU 46 1.678 -18.650 1.514 226 HA GLU 46 HA GLU 46 2.375 -19.200 -1.242 227 1HB GLU 46 2HB GLU 46 1.055 -16.558 -0.689 228 2HB GLU 46 1HB GLU 46 1.367 -17.330 -2.236 229 1HG GLU 46 2HG GLU 46 -0.325 -19.044 -1.673 230 2HG GLU 46 1HG GLU 46 -0.686 -18.152 -0.197 231 H LYS 47 H LYS 47 3.696 -18.811 1.375 232 HA LYS 47 HA LYS 47 5.266 -17.450 2.434 233 1HB LYS 47 2HB LYS 47 6.153 -18.933 0.206 234 2HB LYS 47 1HB LYS 47 7.037 -17.413 0.175 235 1HG LYS 47 2HG LYS 47 7.213 -18.099 2.805 236 2HG LYS 47 1HG LYS 47 7.241 -19.677 2.013 237 1HD LYS 47 2HD LYS 47 9.481 -19.135 2.020 238 2HD LYS 47 1HD LYS 47 8.984 -18.528 0.439 239 1HE LYS 47 2HE LYS 47 9.976 -16.626 1.103 240 2HE LYS 47 1HE LYS 47 8.489 -16.372 2.015 241 1HZ LYS 47 1HZ LYS 47 9.485 -17.115 3.976 242 2HZ LYS 47 2HZ LYS 47 10.670 -16.143 3.260 243 3HZ LYS 47 3HZ LYS 47 10.791 -17.828 3.169 244 H GLY 48 H GLY 48 4.560 -15.375 2.763 245 1HA GLY 48 2HA GLY 48 5.893 -13.233 1.787 246 2HA GLY 48 1HA GLY 48 4.590 -13.429 0.625 247 H VAL 49 H VAL 49 3.791 -11.357 1.242 248 HA VAL 49 HA VAL 49 2.099 -11.494 3.625 249 HB VAL 49 HB VAL 49 3.885 -9.137 2.998 250 1HG1 VAL 49 1HG1 VAL 49 1.402 -9.257 4.378 251 2HG1 VAL 49 2HG1 VAL 49 2.482 -7.879 4.172 252 3HG1 VAL 49 3HG1 VAL 49 2.676 -8.949 5.559 253 1HG2 VAL 49 1HG2 VAL 49 4.015 -11.336 5.009 254 2HG2 VAL 49 2HG2 VAL 49 4.628 -9.738 5.429 255 3HG2 VAL 49 3HG2 VAL 49 5.306 -10.606 4.053 256 H TYR 50 H TYR 50 0.126 -10.564 3.375 257 HA TYR 50 HA TYR 50 -0.342 -8.922 0.993 258 1HB TYR 50 2HB TYR 50 -2.634 -10.604 1.563 259 2HB TYR 50 1HB TYR 50 -1.779 -10.353 0.046 260 HD1 TYR 50 1HD TYR 50 -2.803 -12.796 2.214 261 HD2 TYR 50 2HD TYR 50 0.690 -11.546 0.141 262 HE1 TYR 50 1HE TYR 50 -1.922 -15.082 2.335 263 HE2 TYR 50 2HE TYR 50 1.586 -13.827 0.253 264 HH TYR 50 HH TYR 50 0.014 -16.335 2.127 265 H VAL 51 H VAL 51 -2.487 -7.793 1.106 266 HA VAL 51 HA VAL 51 -2.683 -6.380 3.531 267 HB VAL 51 HB VAL 51 -4.883 -6.485 1.486 268 1HG1 VAL 51 1HG1 VAL 51 -5.689 -4.981 2.943 269 2HG1 VAL 51 2HG1 VAL 51 -4.511 -3.887 2.217 270 3HG1 VAL 51 3HG1 VAL 51 -4.118 -4.741 3.705 271 1HG2 VAL 51 1HG2 VAL 51 -2.192 -5.184 1.264 272 2HG2 VAL 51 2HG2 VAL 51 -3.596 -4.547 0.410 273 3HG2 VAL 51 3HG2 VAL 51 -3.038 -6.188 0.088 274 H LYS 52 H LYS 52 -4.685 -6.183 4.845 275 HA LYS 52 HA LYS 52 -6.312 -8.596 4.974 276 1HB LYS 52 2HB LYS 52 -5.919 -8.748 7.446 277 2HB LYS 52 1HB LYS 52 -4.535 -9.183 6.456 278 1HG LYS 52 2HG LYS 52 -3.313 -7.392 7.131 279 2HG LYS 52 1HG LYS 52 -4.731 -6.376 7.376 280 1HD LYS 52 2HD LYS 52 -3.654 -6.934 9.501 281 2HD LYS 52 1HD LYS 52 -5.283 -7.606 9.406 282 1HE LYS 52 2HE LYS 52 -3.700 -9.609 8.361 283 2HE LYS 52 1HE LYS 52 -2.715 -8.953 9.668 284 1HZ LYS 52 1HZ LYS 52 -4.210 -10.778 10.358 285 2HZ LYS 52 2HZ LYS 52 -5.542 -9.806 9.980 286 3HZ LYS 52 3HZ LYS 52 -4.479 -9.342 11.211 287 H ASN 53 H ASN 53 -5.659 -5.370 6.113 288 HA ASN 53 HA ASN 53 -8.535 -4.904 6.363 289 1HB ASN 53 2HB ASN 53 -6.534 -4.736 8.539 290 2HB ASN 53 1HB ASN 53 -7.662 -3.389 8.429 291 1HD2 ASN 53 1HD2 ASN 53 -7.596 -6.930 8.396 292 2HD2 ASN 53 2HD2 ASN 53 -9.061 -7.137 9.303 293 H ILE 54 H ILE 54 -9.181 -2.809 5.888 294 HA ILE 54 HA ILE 54 -7.077 -0.919 5.094 295 HB ILE 54 HB ILE 54 -9.562 -1.427 3.482 296 1HG1 ILE 54 2HG1 ILE 54 -7.879 -3.368 3.582 297 2HG1 ILE 54 1HG1 ILE 54 -8.371 -2.792 2.000 298 1HG2 ILE 54 1HG2 ILE 54 -8.506 0.822 3.340 299 2HG2 ILE 54 2HG2 ILE 54 -8.550 -0.049 1.807 300 3HG2 ILE 54 3HG2 ILE 54 -7.047 0.047 2.724 301 1HD1 ILE 54 1HD1 ILE 54 -6.194 -1.322 2.250 302 2HD1 ILE 54 2HD1 ILE 54 -6.147 -2.978 1.657 303 3HD1 ILE 54 3HD1 ILE 54 -5.745 -2.636 3.337 304 H ARG 55 H ARG 55 -7.374 0.934 6.164 305 HA ARG 55 HA ARG 55 -9.714 1.529 7.624 306 1HB ARG 55 2HB ARG 55 -7.217 3.024 6.939 307 2HB ARG 55 1HB ARG 55 -8.570 3.903 7.638 308 1HG ARG 55 2HG ARG 55 -8.210 1.582 9.199 309 2HG ARG 55 1HG ARG 55 -6.612 2.282 8.933 310 1HD ARG 55 2HD ARG 55 -7.082 3.690 10.595 311 2HD ARG 55 1HD ARG 55 -8.218 4.469 9.497 312 HE ARG 55 HE ARG 55 -9.679 2.458 10.547 313 1HH1 ARG 55 1HH1 ARG 55 -7.723 4.966 11.983 314 2HH1 ARG 55 2HH1 ARG 55 -8.676 5.054 13.428 315 1HH2 ARG 55 1HH2 ARG 55 -10.931 2.572 12.446 316 2HH2 ARG 55 2HH2 ARG 55 -10.496 3.694 13.691 317 HA PRO 56 HA PRO 56 -12.132 3.283 4.320 318 1HB PRO 56 2HB PRO 56 -14.163 4.271 5.793 319 2HB PRO 56 1HB PRO 56 -13.956 2.537 5.515 320 1HG PRO 56 2HG PRO 56 -13.205 4.175 7.907 321 2HG PRO 56 1HG PRO 56 -13.977 2.579 7.842 322 1HD PRO 56 2HD PRO 56 -11.320 2.925 8.321 323 2HD PRO 56 1HD PRO 56 -11.981 1.488 7.517 324 H ALA 57 H ALA 57 -11.606 5.089 3.291 325 HA ALA 57 HA ALA 57 -11.598 7.350 2.835 326 1HB ALA 57 1HB ALA 57 -12.215 8.986 4.370 327 2HB ALA 57 2HB ALA 57 -11.674 8.033 5.752 328 3HB ALA 57 3HB ALA 57 -13.137 7.572 4.883 329 H GLY 58 H GLY 58 -9.550 5.748 5.092 330 1HA GLY 58 2HA GLY 58 -7.526 7.777 5.201 331 2HA GLY 58 1HA GLY 58 -7.366 6.112 5.741 332 HA PRO 59 HA PRO 59 -4.621 6.901 1.981 333 1HB PRO 59 2HB PRO 59 -3.086 4.901 3.573 334 2HB PRO 59 1HB PRO 59 -2.508 6.318 2.691 335 1HG PRO 59 2HG PRO 59 -2.690 6.356 5.345 336 2HG PRO 59 1HG PRO 59 -3.115 7.785 4.383 337 1HD PRO 59 2HD PRO 59 -4.895 5.823 5.755 338 2HD PRO 59 1HD PRO 59 -5.105 7.570 5.523 339 H GLY 60 H GLY 60 -5.892 4.096 3.646 340 1HA GLY 60 2HA GLY 60 -5.251 2.146 1.703 341 2HA GLY 60 1HA GLY 60 -6.526 2.017 2.904 342 H ASP 61 H ASP 61 -8.175 4.107 2.184 343 HA ASP 61 HA ASP 61 -9.528 2.978 -0.067 344 1HB ASP 61 2HB ASP 61 -10.747 3.957 1.845 345 2HB ASP 61 1HB ASP 61 -10.095 5.542 1.441 346 H LEU 62 H LEU 62 -7.468 5.740 0.509 347 HA LEU 62 HA LEU 62 -7.991 7.168 -1.844 348 1HB LEU 62 2HB LEU 62 -5.423 7.017 -0.265 349 2HB LEU 62 1HB LEU 62 -5.814 8.243 -1.455 350 HG LEU 62 HG LEU 62 -7.410 7.812 1.067 351 1HD1 LEU 62 1HD1 LEU 62 -5.699 10.188 0.829 352 2HD1 LEU 62 2HD1 LEU 62 -4.844 8.664 1.064 353 3HD1 LEU 62 3HD1 LEU 62 -6.060 9.181 2.231 354 1HD2 LEU 62 1HD2 LEU 62 -7.352 10.398 -0.342 355 2HD2 LEU 62 2HD2 LEU 62 -8.693 9.555 0.435 356 3HD2 LEU 62 3HD2 LEU 62 -8.171 9.081 -1.183 357 H GLY 63 H GLY 63 -5.785 4.513 -1.148 358 1HA GLY 63 2HA GLY 63 -4.520 4.612 -3.732 359 2HA GLY 63 1HA GLY 63 -4.323 3.355 -2.520 360 H GLY 64 H GLY 64 -6.773 2.327 -2.174 361 1HA GLY 64 2HA GLY 64 -8.652 1.414 -3.329 362 2HA GLY 64 1HA GLY 64 -7.810 1.684 -4.846 363 H LEU 65 H LEU 65 -6.716 0.075 -1.871 364 HA LEU 65 HA LEU 65 -6.217 -2.330 -3.496 365 1HB LEU 65 2HB LEU 65 -4.550 -2.897 -1.687 366 2HB LEU 65 1HB LEU 65 -4.142 -1.536 -2.714 367 HG LEU 65 HG LEU 65 -5.566 -0.608 -0.389 368 1HD1 LEU 65 1HD1 LEU 65 -4.198 -1.299 1.376 369 2HD1 LEU 65 2HD1 LEU 65 -2.986 -1.981 0.291 370 3HD1 LEU 65 3HD1 LEU 65 -4.546 -2.783 0.486 371 1HD2 LEU 65 1HD2 LEU 65 -2.691 -0.059 -0.689 372 2HD2 LEU 65 2HD2 LEU 65 -4.050 1.051 -0.515 373 3HD2 LEU 65 3HD2 LEU 65 -3.689 0.341 -2.087 374 H LYS 66 H LYS 66 -7.329 -4.110 -3.038 375 HA LYS 66 HA LYS 66 -9.243 -4.122 -0.908 376 1HB LYS 66 2HB LYS 66 -8.560 -5.853 -3.201 377 2HB LYS 66 1HB LYS 66 -9.271 -6.678 -1.821 378 1HG LYS 66 2HG LYS 66 -10.985 -4.644 -2.014 379 2HG LYS 66 1HG LYS 66 -10.467 -4.733 -3.698 380 1HD LYS 66 2HD LYS 66 -10.900 -7.299 -3.372 381 2HD LYS 66 1HD LYS 66 -11.927 -6.748 -2.048 382 1HE LYS 66 2HE LYS 66 -13.519 -6.525 -3.603 383 2HE LYS 66 1HE LYS 66 -12.647 -5.075 -4.099 384 1HZ LYS 66 1HZ LYS 66 -12.591 -7.766 -5.308 385 2HZ LYS 66 2HZ LYS 66 -11.318 -6.681 -5.562 386 3HZ LYS 66 3HZ LYS 66 -12.885 -6.274 -6.050 387 HA PRO 67 HA PRO 67 -7.060 -6.284 2.255 388 1HB PRO 67 2HB PRO 67 -8.888 -8.017 3.236 389 2HB PRO 67 1HB PRO 67 -9.024 -6.269 3.461 390 1HG PRO 67 2HG PRO 67 -10.397 -8.033 1.469 391 2HG PRO 67 1HG PRO 67 -11.069 -6.714 2.444 392 1HD PRO 67 2HD PRO 67 -10.370 -6.410 -0.161 393 2HD PRO 67 1HD PRO 67 -10.279 -5.089 1.021 394 H TYR 68 H TYR 68 -5.931 -7.256 0.170 395 HA TYR 68 HA TYR 68 -5.260 -9.896 0.766 396 1HB TYR 68 2HB TYR 68 -7.597 -9.709 -0.797 397 2HB TYR 68 1HB TYR 68 -6.319 -10.227 -1.889 398 HD1 TYR 68 1HD TYR 68 -6.519 -11.067 1.713 399 HD2 TYR 68 2HD TYR 68 -7.035 -12.442 -2.279 400 HE1 TYR 68 1HE TYR 68 -6.743 -13.364 2.542 401 HE2 TYR 68 2HE TYR 68 -7.259 -14.747 -1.461 402 HH TYR 68 HH TYR 68 -6.299 -15.784 1.409 403 H ASP 69 H ASP 69 -5.216 -7.215 -1.402 404 HA ASP 69 HA ASP 69 -3.544 -7.759 -3.407 405 1HB ASP 69 2HB ASP 69 -3.628 -5.354 -1.601 406 2HB ASP 69 1HB ASP 69 -2.608 -5.411 -3.031 407 H ARG 70 H ARG 70 -2.109 -9.376 -2.992 408 HA ARG 70 HA ARG 70 -0.189 -9.360 -0.916 409 1HB ARG 70 2HB ARG 70 -0.838 -11.416 -1.937 410 2HB ARG 70 1HB ARG 70 -0.391 -10.835 -3.534 411 1HG ARG 70 2HG ARG 70 1.928 -10.655 -1.948 412 2HG ARG 70 1HG ARG 70 1.199 -12.222 -1.598 413 1HD ARG 70 2HD ARG 70 1.218 -11.554 -4.440 414 2HD ARG 70 1HD ARG 70 2.828 -11.653 -3.729 415 HE ARG 70 HE ARG 70 0.999 -13.820 -4.189 416 1HH1 ARG 70 1HH1 ARG 70 3.723 -12.722 -2.303 417 2HH1 ARG 70 2HH1 ARG 70 4.275 -14.323 -1.939 418 1HH2 ARG 70 1HH2 ARG 70 1.726 -15.926 -3.711 419 2HH2 ARG 70 2HH2 ARG 70 3.143 -16.140 -2.739 420 H LEU 71 H LEU 71 1.069 -7.560 -0.821 421 HA LEU 71 HA LEU 71 2.084 -6.082 -2.943 422 1HB LEU 71 2HB LEU 71 3.529 -6.433 -0.333 423 2HB LEU 71 1HB LEU 71 3.513 -5.026 -1.379 424 HG LEU 71 HG LEU 71 0.831 -5.612 -0.533 425 1HD1 LEU 71 1HD1 LEU 71 0.915 -5.858 1.694 426 2HD1 LEU 71 2HD1 LEU 71 2.336 -4.827 1.861 427 3HD1 LEU 71 3HD1 LEU 71 2.521 -6.514 1.378 428 1HD2 LEU 71 1HD2 LEU 71 0.921 -3.418 -0.921 429 2HD2 LEU 71 2HD2 LEU 71 2.674 -3.379 -0.745 430 3HD2 LEU 71 3HD2 LEU 71 1.644 -3.267 0.681 431 H LEU 72 H LEU 72 3.329 -6.798 -4.551 432 HA LEU 72 HA LEU 72 5.161 -8.993 -4.143 433 1HB LEU 72 2HB LEU 72 4.880 -7.331 -6.634 434 2HB LEU 72 1HB LEU 72 5.537 -8.949 -6.494 435 HG LEU 72 HG LEU 72 2.679 -8.069 -6.490 436 1HD1 LEU 72 1HD1 LEU 72 3.879 -10.484 -7.785 437 2HD1 LEU 72 2HD1 LEU 72 4.050 -8.888 -8.512 438 3HD1 LEU 72 3HD1 LEU 72 2.444 -9.570 -8.247 439 1HD2 LEU 72 1HD2 LEU 72 3.449 -10.835 -5.637 440 2HD2 LEU 72 2HD2 LEU 72 1.891 -10.024 -5.507 441 3HD2 LEU 72 3HD2 LEU 72 3.219 -9.551 -4.451 442 H GLN 73 H GLN 73 5.365 -5.551 -4.938 443 HA GLN 73 HA GLN 73 8.087 -5.513 -3.874 444 1HB GLN 73 2HB GLN 73 8.926 -4.212 -5.763 445 2HB GLN 73 1HB GLN 73 8.344 -5.781 -6.302 446 1HG GLN 73 2HG GLN 73 6.885 -4.853 -7.684 447 2HG GLN 73 1HG GLN 73 6.248 -3.808 -6.416 448 1HE2 GLN 73 1HE2 GLN 73 8.507 -4.101 -9.032 449 2HE2 GLN 73 2HE2 GLN 73 8.915 -2.419 -9.142 450 H VAL 74 H VAL 74 8.653 -3.598 -2.883 451 HA VAL 74 HA VAL 74 6.650 -1.442 -2.931 452 HB VAL 74 HB VAL 74 8.088 -2.432 -0.470 453 1HG1 VAL 74 1HG1 VAL 74 7.722 -0.195 -0.041 454 2HG1 VAL 74 2HG1 VAL 74 6.238 -0.919 0.578 455 3HG1 VAL 74 3HG1 VAL 74 6.247 -0.143 -1.006 456 1HG2 VAL 74 1HG2 VAL 74 6.508 -4.001 -0.393 457 2HG2 VAL 74 2HG2 VAL 74 5.617 -3.274 -1.729 458 3HG2 VAL 74 3HG2 VAL 74 5.357 -2.703 -0.081 459 H ASN 75 H ASN 75 7.422 0.656 -2.495 460 HA ASN 75 HA ASN 75 8.864 2.358 -3.036 461 1HB ASN 75 2HB ASN 75 10.332 0.800 -0.911 462 2HB ASN 75 1HB ASN 75 10.866 2.379 -1.479 463 1HD2 ASN 75 1HD2 ASN 75 8.721 3.867 -1.685 464 2HD2 ASN 75 2HD2 ASN 75 7.865 3.990 -0.183 465 H HIS 76 H HIS 76 9.143 0.071 -4.821 466 HA HIS 76 HA HIS 76 10.442 -0.406 -6.638 467 1HB HIS 76 2HB HIS 76 11.232 2.031 -6.307 468 2HB HIS 76 1HB HIS 76 12.653 1.323 -5.547 469 HD1 HIS 76 1HD HIS 76 11.913 -1.020 -8.035 470 HD2 HIS 76 2HD HIS 76 13.489 2.823 -8.124 471 HE1 HIS 76 1HE HIS 76 13.125 -0.841 -10.231 472 HE2 HIS 76 2HE HIS 76 14.144 1.463 -10.224 473 H VAL 77 H VAL 77 10.381 -2.088 -4.449 474 HA VAL 77 HA VAL 77 12.918 -3.463 -4.754 475 HB VAL 77 HB VAL 77 11.850 -2.579 -2.078 476 1HG1 VAL 77 1HG1 VAL 77 14.106 -4.490 -2.689 477 2HG1 VAL 77 2HG1 VAL 77 12.580 -4.885 -1.898 478 3HG1 VAL 77 3HG1 VAL 77 13.741 -3.829 -1.095 479 1HG2 VAL 77 1HG2 VAL 77 14.383 -1.973 -3.583 480 2HG2 VAL 77 2HG2 VAL 77 14.168 -1.622 -1.869 481 3HG2 VAL 77 3HG2 VAL 77 13.131 -0.845 -3.064 482 H ARG 78 H ARG 78 12.808 -5.685 -4.160 483 HA ARG 78 HA ARG 78 10.275 -6.882 -4.615 484 1HB ARG 78 2HB ARG 78 12.977 -7.960 -3.850 485 2HB ARG 78 1HB ARG 78 11.571 -9.010 -3.950 486 1HG ARG 78 2HG ARG 78 12.606 -9.220 -6.026 487 2HG ARG 78 1HG ARG 78 11.276 -8.098 -6.316 488 1HD ARG 78 2HD ARG 78 12.657 -6.383 -6.776 489 2HD ARG 78 1HD ARG 78 13.798 -6.832 -5.507 490 HE ARG 78 HE ARG 78 13.957 -7.504 -8.278 491 1HH1 ARG 78 1HH1 ARG 78 14.768 -8.620 -5.072 492 2HH1 ARG 78 2HH1 ARG 78 16.097 -9.588 -5.609 493 1HH2 ARG 78 1HH2 ARG 78 15.705 -8.780 -8.987 494 2HH2 ARG 78 2HH2 ARG 78 16.630 -9.679 -7.833 495 H THR 79 H THR 79 8.744 -7.500 -3.227 496 HA THR 79 HA THR 79 9.413 -7.948 -0.422 497 HB THR 79 HB THR 79 7.504 -6.527 0.312 498 HG1 THR 79 1HG THR 79 6.529 -6.543 -1.861 499 1HG2 THR 79 1HG2 THR 79 9.042 -4.542 -1.173 500 2HG2 THR 79 2HG2 THR 79 10.024 -5.683 -0.255 501 3HG2 THR 79 3HG2 THR 79 8.790 -4.725 0.562 502 H ARG 80 H ARG 80 8.552 -9.609 -2.709 503 HA ARG 80 HA ARG 80 5.823 -10.363 -2.110 504 1HB ARG 80 2HB ARG 80 7.476 -10.603 -4.335 505 2HB ARG 80 1HB ARG 80 7.317 -12.251 -3.746 506 1HG ARG 80 2HG ARG 80 4.738 -11.141 -3.668 507 2HG ARG 80 1HG ARG 80 5.443 -10.654 -5.210 508 1HD ARG 80 2HD ARG 80 6.046 -13.414 -4.662 509 2HD ARG 80 1HD ARG 80 4.310 -13.133 -4.547 510 HE ARG 80 HE ARG 80 4.244 -12.816 -6.811 511 1HH1 ARG 80 1HH1 ARG 80 7.560 -12.607 -5.742 512 2HH1 ARG 80 2HH1 ARG 80 8.204 -12.550 -7.348 513 1HH2 ARG 80 1HH2 ARG 80 5.089 -12.740 -8.922 514 2HH2 ARG 80 2HH2 ARG 80 6.802 -12.626 -9.155 515 H ASP 81 H ASP 81 9.062 -11.761 -1.726 516 HA ASP 81 HA ASP 81 7.966 -13.980 -0.187 517 1HB ASP 81 2HB ASP 81 10.253 -14.868 -0.218 518 2HB ASP 81 1HB ASP 81 9.706 -14.467 -1.843 519 H PHE 82 H PHE 82 8.256 -11.011 0.683 520 HA PHE 82 HA PHE 82 10.037 -11.181 2.944 521 1HB PHE 82 2HB PHE 82 8.233 -9.088 1.796 522 2HB PHE 82 1HB PHE 82 8.779 -8.921 3.458 523 HD1 PHE 82 1HD PHE 82 9.510 -6.750 2.037 524 HD2 PHE 82 2HD PHE 82 11.373 -10.573 1.866 525 HE1 PHE 82 1HE PHE 82 11.588 -5.699 1.249 526 HE2 PHE 82 2HE PHE 82 13.452 -9.527 1.079 527 HZ PHE 82 HZ PHE 82 13.563 -7.087 0.770 528 H ASP 83 H ASP 83 9.194 -10.537 5.139 529 HA ASP 83 HA ASP 83 6.743 -12.063 5.694 530 1HB ASP 83 2HB ASP 83 9.315 -11.725 7.124 531 2HB ASP 83 1HB ASP 83 7.874 -11.766 8.135 532 H CYS 84 H CYS 84 5.411 -11.267 7.518 533 HA CYS 84 HA CYS 84 4.479 -8.704 7.113 534 1HB CYS 84 2HB CYS 84 3.346 -8.941 9.318 535 2HB CYS 84 1HB CYS 84 3.141 -10.347 8.278 536 HG CYS 84 HG CYS 84 3.778 -11.468 10.402 537 H CYS 85 H CYS 85 6.923 -9.833 9.383 538 HA CYS 85 HA CYS 85 7.207 -7.429 10.799 539 1HB CYS 85 2HB CYS 85 9.416 -8.386 11.502 540 2HB CYS 85 1HB CYS 85 8.042 -9.453 11.770 541 HG CYS 85 HG CYS 85 10.211 -10.626 10.634 542 H LEU 86 H LEU 86 8.377 -8.460 7.717 543 HA LEU 86 HA LEU 86 10.359 -6.323 7.594 544 1HB LEU 86 2HB LEU 86 10.060 -8.869 6.364 545 2HB LEU 86 1HB LEU 86 10.051 -7.662 5.093 546 HG LEU 86 HG LEU 86 12.183 -7.284 7.074 547 1HD1 LEU 86 1HD1 LEU 86 12.650 -9.494 7.205 548 2HD1 LEU 86 2HD1 LEU 86 13.443 -9.169 5.664 549 3HD1 LEU 86 3HD1 LEU 86 11.825 -9.872 5.694 550 1HD2 LEU 86 1HD2 LEU 86 12.123 -7.454 4.064 551 2HD2 LEU 86 2HD2 LEU 86 13.507 -6.954 5.039 552 3HD2 LEU 86 3HD2 LEU 86 12.037 -5.980 5.030 553 H VAL 87 H VAL 87 7.190 -7.137 6.423 554 HA VAL 87 HA VAL 87 7.104 -5.090 4.419 555 HB VAL 87 HB VAL 87 4.819 -6.646 5.637 556 1HG1 VAL 87 1HG1 VAL 87 3.534 -5.986 3.748 557 2HG1 VAL 87 2HG1 VAL 87 4.940 -5.269 2.960 558 3HG1 VAL 87 3HG1 VAL 87 4.263 -4.522 4.407 559 1HG2 VAL 87 1HG2 VAL 87 5.228 -7.707 3.169 560 2HG2 VAL 87 2HG2 VAL 87 5.860 -8.388 4.667 561 3HG2 VAL 87 3HG2 VAL 87 6.880 -7.353 3.668 562 H VAL 88 H VAL 88 6.075 -5.406 7.781 563 HA VAL 88 HA VAL 88 4.445 -3.146 7.914 564 HB VAL 88 HB VAL 88 6.168 -4.306 10.111 565 1HG1 VAL 88 1HG1 VAL 88 3.811 -3.062 11.092 566 2HG1 VAL 88 2HG1 VAL 88 4.653 -1.908 10.059 567 3HG1 VAL 88 3HG1 VAL 88 5.493 -2.648 11.420 568 1HG2 VAL 88 1HG2 VAL 88 4.091 -5.504 8.795 569 2HG2 VAL 88 2HG2 VAL 88 3.280 -4.752 10.169 570 3HG2 VAL 88 3HG2 VAL 88 4.609 -5.880 10.438 571 HA PRO 89 HA PRO 89 8.415 -0.629 9.148 572 1HB PRO 89 2HB PRO 89 10.613 -2.233 8.033 573 2HB PRO 89 1HB PRO 89 10.463 -1.500 9.632 574 1HG PRO 89 2HG PRO 89 10.313 -4.159 9.279 575 2HG PRO 89 1HG PRO 89 9.349 -3.322 10.509 576 1HD PRO 89 2HD PRO 89 8.523 -4.291 7.799 577 2HD PRO 89 1HD PRO 89 7.660 -4.411 9.340 578 H LEU 90 H LEU 90 8.840 -2.655 6.234 579 HA LEU 90 HA LEU 90 9.978 -0.761 4.568 580 1HB LEU 90 2HB LEU 90 8.238 -3.144 4.089 581 2HB LEU 90 1HB LEU 90 8.649 -2.095 2.745 582 HG LEU 90 HG LEU 90 10.843 -3.164 4.470 583 1HD1 LEU 90 1HD1 LEU 90 9.086 -4.948 3.556 584 2HD1 LEU 90 2HD1 LEU 90 10.821 -5.259 3.611 585 3HD1 LEU 90 3HD1 LEU 90 10.063 -4.754 2.101 586 1HD2 LEU 90 1HD2 LEU 90 10.512 -2.151 1.679 587 2HD2 LEU 90 2HD2 LEU 90 11.858 -3.220 2.076 588 3HD2 LEU 90 3HD2 LEU 90 11.680 -1.679 2.914 589 H ILE 91 H ILE 91 6.675 -1.167 5.586 590 HA ILE 91 HA ILE 91 5.573 0.651 3.654 591 HB ILE 91 HB ILE 91 4.421 -0.636 6.129 592 1HG1 ILE 91 2HG1 ILE 91 3.600 -1.042 3.259 593 2HG1 ILE 91 1HG1 ILE 91 4.919 -1.960 3.987 594 1HG2 ILE 91 1HG2 ILE 91 2.315 0.328 4.552 595 2HG2 ILE 91 2HG2 ILE 91 3.446 1.671 4.715 596 3HG2 ILE 91 3HG2 ILE 91 2.800 0.882 6.154 597 1HD1 ILE 91 1HD1 ILE 91 3.427 -2.908 5.608 598 2HD1 ILE 91 2HD1 ILE 91 2.753 -3.144 3.996 599 3HD1 ILE 91 3HD1 ILE 91 2.105 -1.885 5.048 600 H ALA 92 H ALA 92 6.213 0.772 7.150 601 HA ALA 92 HA ALA 92 5.382 3.456 7.437 602 1HB ALA 92 1HB ALA 92 6.845 1.545 9.207 603 2HB ALA 92 2HB ALA 92 5.208 2.179 9.369 604 3HB ALA 92 3HB ALA 92 6.594 3.225 9.680 605 H GLU 93 H GLU 93 8.111 2.277 5.949 606 HA GLU 93 HA GLU 93 9.759 4.550 6.809 607 1HB GLU 93 2HB GLU 93 11.646 3.381 5.791 608 2HB GLU 93 1HB GLU 93 10.831 2.365 6.971 609 1HG GLU 93 2HG GLU 93 10.549 0.789 5.461 610 2HG GLU 93 1HG GLU 93 9.659 1.904 4.425 611 H SER 94 H SER 94 7.486 4.171 4.597 612 HA SER 94 HA SER 94 8.721 4.859 2.160 613 1HB SER 94 2HB SER 94 6.587 4.174 1.718 614 2HB SER 94 1HB SER 94 5.953 4.849 3.218 615 HG SER 94 HG SER 94 5.488 6.639 2.207 616 H GLY 95 H GLY 95 7.441 6.729 4.797 617 1HA GLY 95 2HA GLY 95 8.438 8.821 5.430 618 2HA GLY 95 1HA GLY 95 8.852 9.087 3.744 619 H ASN 96 H ASN 96 6.457 8.666 2.477 620 HA ASN 96 HA ASN 96 4.304 10.053 3.733 621 1HB ASN 96 2HB ASN 96 6.310 11.682 2.610 622 2HB ASN 96 1HB ASN 96 4.959 11.730 1.480 623 1HD2 ASN 96 1HD2 ASN 96 5.975 12.354 4.763 624 2HD2 ASN 96 2HD2 ASN 96 4.675 13.427 5.166 625 H LYS 97 H LYS 97 5.821 8.944 0.759 626 HA LYS 97 HA LYS 97 3.149 8.254 -0.268 627 1HB LYS 97 2HB LYS 97 5.424 9.619 -1.577 628 2HB LYS 97 1HB LYS 97 4.637 8.372 -2.534 629 1HG LYS 97 2HG LYS 97 2.479 9.503 -2.199 630 2HG LYS 97 1HG LYS 97 3.305 10.773 -1.296 631 1HD LYS 97 2HD LYS 97 3.214 11.718 -3.389 632 2HD LYS 97 1HD LYS 97 4.785 10.918 -3.456 633 1HE LYS 97 2HE LYS 97 4.107 9.445 -5.012 634 2HE LYS 97 1HE LYS 97 2.522 9.239 -4.270 635 1HZ LYS 97 1HZ LYS 97 2.555 10.300 -6.531 636 2HZ LYS 97 2HZ LYS 97 3.263 11.658 -5.812 637 3HZ LYS 97 3HZ LYS 97 1.717 11.160 -5.339 638 H LEU 98 H LEU 98 2.887 6.126 -0.194 639 HA LEU 98 HA LEU 98 5.241 4.397 -0.414 640 1HB LEU 98 2HB LEU 98 3.109 4.383 1.331 641 2HB LEU 98 1HB LEU 98 2.687 3.115 0.200 642 HG LEU 98 HG LEU 98 4.920 3.227 2.175 643 1HD1 LEU 98 1HD1 LEU 98 4.026 1.290 2.925 644 2HD1 LEU 98 2HD1 LEU 98 3.566 0.743 1.316 645 3HD1 LEU 98 3HD1 LEU 98 2.582 1.942 2.156 646 1HD2 LEU 98 1HD2 LEU 98 5.912 1.239 0.909 647 2HD2 LEU 98 2HD2 LEU 98 6.258 2.850 0.285 648 3HD2 LEU 98 3HD2 LEU 98 5.033 1.848 -0.493 649 H ASP 99 H ASP 99 5.604 4.142 -2.576 650 HA ASP 99 HA ASP 99 3.372 3.320 -4.287 651 1HB ASP 99 2HB ASP 99 5.379 5.039 -4.825 652 2HB ASP 99 1HB ASP 99 6.121 3.547 -5.394 653 H LEU 100 H LEU 100 2.977 1.214 -4.499 654 HA LEU 100 HA LEU 100 5.221 -0.648 -4.667 655 1HB LEU 100 2HB LEU 100 3.938 -2.194 -3.080 656 2HB LEU 100 1HB LEU 100 4.846 -0.864 -2.384 657 HG LEU 100 HG LEU 100 2.449 0.331 -2.632 658 1HD1 LEU 100 1HD1 LEU 100 1.114 -1.363 -3.450 659 2HD1 LEU 100 2HD1 LEU 100 0.848 -1.494 -1.712 660 3HD1 LEU 100 3HD1 LEU 100 1.945 -2.611 -2.522 661 1HD2 LEU 100 1HD2 LEU 100 2.432 0.319 -0.366 662 2HD2 LEU 100 2HD2 LEU 100 4.056 -0.325 -0.603 663 3HD2 LEU 100 3HD2 LEU 100 2.715 -1.419 -0.261 664 H VAL 101 H VAL 101 4.674 -2.720 -5.519 665 HA VAL 101 HA VAL 101 2.250 -2.657 -7.187 666 HB VAL 101 HB VAL 101 4.666 -4.419 -7.591 667 1HG1 VAL 101 1HG1 VAL 101 2.150 -4.565 -8.676 668 2HG1 VAL 101 2HG1 VAL 101 3.616 -5.245 -9.385 669 3HG1 VAL 101 3HG1 VAL 101 3.047 -3.655 -9.894 670 1HG2 VAL 101 1HG2 VAL 101 4.074 -1.713 -8.778 671 2HG2 VAL 101 2HG2 VAL 101 5.313 -2.817 -9.376 672 3HG2 VAL 101 3HG2 VAL 101 5.437 -2.149 -7.749 673 H ILE 102 H ILE 102 0.648 -3.750 -6.255 674 HA ILE 102 HA ILE 102 1.275 -6.207 -4.759 675 HB ILE 102 HB ILE 102 -0.956 -5.965 -3.762 676 1HG1 ILE 102 2HG1 ILE 102 -1.991 -3.589 -4.158 677 2HG1 ILE 102 1HG1 ILE 102 -1.089 -3.651 -5.666 678 1HG2 ILE 102 1HG2 ILE 102 1.289 -4.307 -3.306 679 2HG2 ILE 102 2HG2 ILE 102 0.042 -4.794 -2.160 680 3HG2 ILE 102 3HG2 ILE 102 -0.149 -3.310 -3.092 681 1HD1 ILE 102 1HD1 ILE 102 -3.573 -4.469 -5.530 682 2HD1 ILE 102 2HD1 ILE 102 -2.816 -5.957 -4.959 683 3HD1 ILE 102 3HD1 ILE 102 -2.390 -5.302 -6.539 684 H SER 103 H SER 103 -0.537 -7.877 -4.845 685 HA SER 103 HA SER 103 -1.844 -8.030 -7.454 686 1HB SER 103 2HB SER 103 0.546 -9.354 -7.011 687 2HB SER 103 1HB SER 103 -0.666 -10.595 -6.702 688 HG SER 103 HG SER 103 0.040 -10.371 -8.941 689 H ARG 104 H ARG 104 -3.857 -8.835 -7.314 690 HA ARG 104 HA ARG 104 -4.570 -10.646 -5.147 691 1HB ARG 104 2HB ARG 104 -5.036 -8.603 -4.046 692 2HB ARG 104 1HB ARG 104 -5.734 -7.889 -5.490 693 1HG ARG 104 2HG ARG 104 -7.262 -10.189 -4.847 694 2HG ARG 104 1HG ARG 104 -7.026 -9.263 -3.367 695 1HD ARG 104 2HD ARG 104 -9.058 -8.595 -4.585 696 2HD ARG 104 1HD ARG 104 -7.902 -7.276 -4.418 697 HE ARG 104 HE ARG 104 -7.690 -8.744 -6.891 698 1HH1 ARG 104 1HH1 ARG 104 -9.214 -6.066 -5.247 699 2HH1 ARG 104 2HH1 ARG 104 -9.564 -5.208 -6.711 700 1HH2 ARG 104 1HH2 ARG 104 -8.152 -7.616 -8.812 701 2HH2 ARG 104 2HH2 ARG 104 -8.962 -6.087 -8.734 702 H ASN 105 H ASN 105 -6.211 -12.011 -5.642 703 HA ASN 105 HA ASN 105 -7.047 -12.126 -8.392 704 1HB ASN 105 2HB ASN 105 -8.285 -14.188 -7.593 705 2HB ASN 105 1HB ASN 105 -6.538 -14.217 -7.366 706 1HD2 ASN 105 1HD2 ASN 105 -9.605 -13.653 -5.759 707 2HD2 ASN 105 2HD2 ASN 105 -9.052 -14.054 -4.166 708 HA PRO 106 HA PRO 106 -10.705 -9.648 -7.579 709 1HB PRO 106 2HB PRO 106 -11.518 -10.489 -10.285 710 2HB PRO 106 1HB PRO 106 -11.231 -8.865 -9.653 711 1HG PRO 106 2HG PRO 106 -9.536 -10.013 -11.383 712 2HG PRO 106 1HG PRO 106 -8.961 -8.957 -10.078 713 1HD PRO 106 2HD PRO 106 -8.972 -11.950 -10.228 714 2HD PRO 106 1HD PRO 106 -7.699 -10.859 -9.640 Start of MODEL 10 1 1H SER 16 1HT SER 16 -8.268 -18.615 -5.493 2 2H SER 16 2HT SER 16 -6.805 -18.654 -6.392 3 3H SER 16 3HT SER 16 -8.267 -18.171 -7.149 4 HA SER 16 HA SER 16 -7.518 -16.155 -6.781 5 1HB SER 16 2HB SER 16 -8.096 -16.311 -3.891 6 2HB SER 16 1HB SER 16 -8.820 -15.292 -5.135 7 HG SER 16 HG SER 16 -10.260 -16.835 -5.589 8 HA PRO 17 HA PRO 17 -4.134 -16.358 -3.356 9 1HB PRO 17 2HB PRO 17 -3.933 -19.125 -2.478 10 2HB PRO 17 1HB PRO 17 -4.239 -17.676 -1.520 11 1HG PRO 17 2HG PRO 17 -6.112 -19.598 -1.944 12 2HG PRO 17 1HG PRO 17 -6.514 -17.892 -1.680 13 1HD PRO 17 2HD PRO 17 -6.372 -19.431 -4.246 14 2HD PRO 17 1HD PRO 17 -7.562 -18.220 -3.721 15 H THR 18 H THR 18 -3.859 -16.821 -6.079 16 HA THR 18 HA THR 18 -1.230 -17.797 -6.228 17 HB THR 18 HB THR 18 -2.965 -19.450 -7.975 18 HG1 THR 18 1HG THR 18 -2.490 -20.172 -5.281 19 1HG2 THR 18 1HG2 THR 18 -0.668 -20.474 -6.391 20 2HG2 THR 18 2HG2 THR 18 -0.368 -19.450 -7.794 21 3HG2 THR 18 3HG2 THR 18 -1.252 -20.964 -7.980 22 HA PRO 19 HA PRO 19 -2.646 -16.262 -10.504 23 1HB PRO 19 2HB PRO 19 -5.459 -15.955 -10.739 24 2HB PRO 19 1HB PRO 19 -4.456 -17.215 -11.453 25 1HG PRO 19 2HG PRO 19 -6.378 -17.600 -9.475 26 2HG PRO 19 1HG PRO 19 -5.089 -18.738 -9.899 27 1HD PRO 19 2HD PRO 19 -5.226 -16.774 -7.653 28 2HD PRO 19 1HD PRO 19 -4.518 -18.401 -7.688 29 H VAL 20 H VAL 20 -2.833 -14.783 -7.808 30 HA VAL 20 HA VAL 20 -4.431 -12.604 -7.749 31 HB VAL 20 HB VAL 20 -2.463 -11.337 -6.780 32 1HG1 VAL 20 1HG1 VAL 20 -2.196 -13.273 -4.945 33 2HG1 VAL 20 2HG1 VAL 20 -3.618 -13.871 -5.803 34 3HG1 VAL 20 3HG1 VAL 20 -3.635 -12.261 -5.084 35 1HG2 VAL 20 1HG2 VAL 20 -0.652 -12.342 -7.978 36 2HG2 VAL 20 2HG2 VAL 20 -1.088 -13.948 -7.395 37 3HG2 VAL 20 3HG2 VAL 20 -0.461 -12.741 -6.272 38 H GLU 21 H GLU 21 -4.692 -10.714 -8.804 39 HA GLU 21 HA GLU 21 -3.111 -10.309 -11.231 40 1HB GLU 21 2HB GLU 21 -5.846 -10.009 -10.616 41 2HB GLU 21 1HB GLU 21 -5.229 -8.385 -10.883 42 1HG GLU 21 2HG GLU 21 -4.380 -10.368 -12.868 43 2HG GLU 21 1HG GLU 21 -6.112 -10.039 -12.831 44 H LEU 22 H LEU 22 -1.516 -8.874 -11.264 45 HA LEU 22 HA LEU 22 -0.779 -7.330 -9.064 46 1HB LEU 22 2HB LEU 22 0.035 -7.477 -11.914 47 2HB LEU 22 1HB LEU 22 0.566 -6.089 -10.981 48 HG LEU 22 HG LEU 22 1.073 -8.962 -10.230 49 1HD1 LEU 22 1HD1 LEU 22 2.859 -6.909 -11.525 50 2HD1 LEU 22 2HD1 LEU 22 2.321 -8.441 -12.213 51 3HD1 LEU 22 3HD1 LEU 22 3.423 -8.431 -10.838 52 1HD2 LEU 22 1HD2 LEU 22 1.481 -8.097 -8.216 53 2HD2 LEU 22 2HD2 LEU 22 1.333 -6.447 -8.814 54 3HD2 LEU 22 3HD2 LEU 22 2.875 -7.291 -8.937 55 H HIS 23 H HIS 23 -0.796 -5.115 -8.672 56 HA HIS 23 HA HIS 23 -2.248 -3.309 -10.370 57 1HB HIS 23 2HB HIS 23 -4.252 -3.875 -9.449 58 2HB HIS 23 1HB HIS 23 -3.513 -4.570 -8.013 59 HD1 HIS 23 1HD HIS 23 -3.596 -0.983 -9.307 60 HD2 HIS 23 2HD HIS 23 -4.512 -3.205 -5.919 61 HE1 HIS 23 1HE HIS 23 -4.367 0.690 -7.596 62 HE2 HIS 23 2HE HIS 23 -4.998 -0.686 -5.582 63 H LYS 24 H LYS 24 -1.071 -1.519 -10.297 64 HA LYS 24 HA LYS 24 0.837 -1.018 -8.245 65 1HB LYS 24 2HB LYS 24 1.113 -0.316 -10.618 66 2HB LYS 24 1HB LYS 24 -0.161 0.872 -10.384 67 1HG LYS 24 2HG LYS 24 1.207 2.314 -9.372 68 2HG LYS 24 1HG LYS 24 1.973 1.054 -8.404 69 1HD LYS 24 2HD LYS 24 3.759 1.556 -9.702 70 2HD LYS 24 1HD LYS 24 2.973 0.439 -10.819 71 1HE LYS 24 2HE LYS 24 2.183 2.138 -12.169 72 2HE LYS 24 1HE LYS 24 2.263 3.338 -10.880 73 1HZ LYS 24 1HZ LYS 24 4.830 2.722 -11.120 74 2HZ LYS 24 2HZ LYS 24 4.094 3.962 -12.005 75 3HZ LYS 24 3HZ LYS 24 4.333 2.445 -12.713 76 H VAL 25 H VAL 25 0.693 0.180 -6.441 77 HA VAL 25 HA VAL 25 -1.656 1.909 -6.094 78 HB VAL 25 HB VAL 25 -0.880 0.777 -3.566 79 1HG1 VAL 25 1HG1 VAL 25 -3.464 -0.068 -4.273 80 2HG1 VAL 25 2HG1 VAL 25 -3.236 1.513 -5.017 81 3HG1 VAL 25 3HG1 VAL 25 -3.009 1.316 -3.279 82 1HG2 VAL 25 1HG2 VAL 25 -0.186 -1.146 -4.993 83 2HG2 VAL 25 2HG2 VAL 25 -1.852 -1.264 -5.560 84 3HG2 VAL 25 3HG2 VAL 25 -1.481 -1.523 -3.857 85 H THR 26 H THR 26 -1.337 3.769 -4.972 86 HA THR 26 HA THR 26 1.306 4.247 -3.792 87 HB THR 26 HB THR 26 -0.132 6.095 -5.710 88 HG1 THR 26 1HG THR 26 2.388 4.826 -5.962 89 1HG2 THR 26 1HG2 THR 26 1.619 6.821 -3.669 90 2HG2 THR 26 2HG2 THR 26 1.117 7.794 -5.051 91 3HG2 THR 26 3HG2 THR 26 2.586 6.821 -5.145 92 H LEU 27 H LEU 27 0.855 4.592 -1.696 93 HA LEU 27 HA LEU 27 -1.550 6.143 -1.017 94 1HB LEU 27 2HB LEU 27 0.045 4.573 0.971 95 2HB LEU 27 1HB LEU 27 -1.644 5.039 1.034 96 HG LEU 27 HG LEU 27 -0.538 2.999 -0.893 97 1HD1 LEU 27 1HD1 LEU 27 -0.617 2.622 1.770 98 2HD1 LEU 27 2HD1 LEU 27 -0.890 1.340 0.589 99 3HD1 LEU 27 3HD1 LEU 27 -2.262 2.154 1.339 100 1HD2 LEU 27 1HD2 LEU 27 -2.689 4.274 -1.417 101 2HD2 LEU 27 2HD2 LEU 27 -3.393 3.398 -0.058 102 3HD2 LEU 27 3HD2 LEU 27 -2.761 2.512 -1.445 103 H TYR 28 H TYR 28 -1.369 7.472 0.991 104 HA TYR 28 HA TYR 28 1.244 8.826 1.123 105 1HB TYR 28 2HB TYR 28 -1.379 10.218 1.623 106 2HB TYR 28 1HB TYR 28 0.192 10.933 1.281 107 HD1 TYR 28 1HD TYR 28 -2.564 8.962 -0.236 108 HD2 TYR 28 2HD TYR 28 0.820 11.446 -0.929 109 HE1 TYR 28 1HE TYR 28 -3.158 9.097 -2.619 110 HE2 TYR 28 2HE TYR 28 0.236 11.588 -3.312 111 HH TYR 28 HH TYR 28 -2.146 9.575 -4.746 112 H LYS 29 H LYS 29 1.936 9.549 3.155 113 HA LYS 29 HA LYS 29 0.631 8.195 5.398 114 1HB LYS 29 2HB LYS 29 3.222 8.187 4.703 115 2HB LYS 29 1HB LYS 29 3.225 9.586 5.770 116 1HG LYS 29 2HG LYS 29 1.780 7.504 7.051 117 2HG LYS 29 1HG LYS 29 3.299 6.836 6.450 118 1HD LYS 29 2HD LYS 29 4.575 8.153 7.815 119 2HD LYS 29 1HD LYS 29 3.392 9.462 7.837 120 1HE LYS 29 2HE LYS 29 2.698 8.748 9.823 121 2HE LYS 29 1HE LYS 29 2.156 7.252 9.065 122 1HZ LYS 29 1HZ LYS 29 3.963 7.338 11.006 123 2HZ LYS 29 2HZ LYS 29 4.993 7.420 9.667 124 3HZ LYS 29 3HZ LYS 29 3.925 6.119 9.833 125 H ASP 30 H ASP 30 0.340 9.273 7.425 126 HA ASP 30 HA ASP 30 -0.084 12.173 7.120 127 1HB ASP 30 2HB ASP 30 -1.949 10.215 7.743 128 2HB ASP 30 1HB ASP 30 -1.552 10.916 9.308 129 H SER 31 H SER 31 0.216 13.492 9.023 130 HA SER 31 HA SER 31 2.621 12.882 10.394 131 1HB SER 31 2HB SER 31 1.844 15.194 9.821 132 2HB SER 31 1HB SER 31 0.617 15.042 11.079 133 HG SER 31 HG SER 31 3.372 14.664 11.596 134 H GLY 32 H GLY 32 2.122 10.863 11.417 135 1HA GLY 32 2HA GLY 32 2.016 10.212 13.777 136 2HA GLY 32 1HA GLY 32 0.589 11.227 13.917 137 H MET 33 H MET 33 0.945 9.295 11.072 138 HA MET 33 HA MET 33 -1.430 7.808 11.761 139 1HB MET 33 2HB MET 33 -0.048 8.539 9.356 140 2HB MET 33 1HB MET 33 -0.295 6.798 9.371 141 1HG MET 33 2HG MET 33 -2.520 8.727 9.927 142 2HG MET 33 1HG MET 33 -2.092 8.226 8.293 143 1HE MET 33 1HE MET 33 -5.105 7.674 9.274 144 2HE MET 33 2HE MET 33 -4.441 7.844 10.899 145 3HE MET 33 3HE MET 33 -5.280 6.362 10.440 146 H GLU 34 H GLU 34 -1.479 5.870 12.683 147 HA GLU 34 HA GLU 34 0.922 4.500 13.372 148 1HB GLU 34 2HB GLU 34 -1.544 4.582 14.461 149 2HB GLU 34 1HB GLU 34 -1.652 3.059 13.588 150 1HG GLU 34 2HG GLU 34 0.644 3.652 15.415 151 2HG GLU 34 1HG GLU 34 -0.881 3.010 16.024 152 H ASP 35 H ASP 35 -0.932 4.516 10.578 153 HA ASP 35 HA ASP 35 0.554 2.302 9.483 154 1HB ASP 35 2HB ASP 35 -2.256 2.022 10.281 155 2HB ASP 35 1HB ASP 35 -1.951 1.573 8.605 156 H PHE 36 H PHE 36 -0.581 1.904 7.113 157 HA PHE 36 HA PHE 36 -0.626 4.595 5.927 158 1HB PHE 36 2HB PHE 36 0.816 2.224 5.260 159 2HB PHE 36 1HB PHE 36 -0.265 2.606 3.923 160 HD1 PHE 36 1HD PHE 36 2.780 3.442 5.609 161 HD2 PHE 36 2HD PHE 36 -0.166 4.915 2.917 162 HE1 PHE 36 1HE PHE 36 4.354 5.172 4.842 163 HE2 PHE 36 2HE PHE 36 1.402 6.646 2.142 164 HZ PHE 36 HZ PHE 36 3.664 6.776 3.106 165 H GLY 37 H GLY 37 -2.950 3.246 7.083 166 1HA GLY 37 2HA GLY 37 -5.197 3.439 6.468 167 2HA GLY 37 1HA GLY 37 -4.703 3.561 4.787 168 H PHE 38 H PHE 38 -3.163 0.945 6.244 169 HA PHE 38 HA PHE 38 -5.223 -0.975 6.176 170 1HB PHE 38 2HB PHE 38 -4.867 -2.089 4.119 171 2HB PHE 38 1HB PHE 38 -5.030 -0.384 3.727 172 HD1 PHE 38 1HD PHE 38 -3.793 -2.633 2.066 173 HD2 PHE 38 2HD PHE 38 -2.104 0.276 4.675 174 HE1 PHE 38 1HE PHE 38 -1.683 -2.745 0.815 175 HE2 PHE 38 2HE PHE 38 0.011 0.168 3.425 176 HZ PHE 38 HZ PHE 38 0.221 -1.345 1.490 177 H SER 39 H SER 39 -4.546 -3.057 6.757 178 HA SER 39 HA SER 39 -1.708 -3.244 7.531 179 1HB SER 39 2HB SER 39 -3.937 -4.706 8.937 180 2HB SER 39 1HB SER 39 -2.306 -4.367 9.518 181 HG SER 39 HG SER 39 -2.999 -2.535 10.261 182 H VAL 40 H VAL 40 -0.641 -5.179 7.205 183 HA VAL 40 HA VAL 40 -2.035 -7.104 5.465 184 HB VAL 40 HB VAL 40 0.185 -7.690 4.570 185 1HG1 VAL 40 1HG1 VAL 40 0.544 -5.099 3.748 186 2HG1 VAL 40 2HG1 VAL 40 -1.142 -5.110 4.261 187 3HG1 VAL 40 3HG1 VAL 40 -0.585 -6.253 3.039 188 1HG2 VAL 40 1HG2 VAL 40 2.083 -6.149 5.043 189 2HG2 VAL 40 2HG2 VAL 40 1.597 -7.124 6.430 190 3HG2 VAL 40 3HG2 VAL 40 1.120 -5.429 6.334 191 H ALA 41 H ALA 41 -1.139 -9.341 5.533 192 HA ALA 41 HA ALA 41 -0.255 -10.097 8.237 193 1HB ALA 41 1HB ALA 41 -1.991 -11.473 8.585 194 2HB ALA 41 2HB ALA 41 -2.000 -12.043 6.916 195 3HB ALA 41 3HB ALA 41 -2.793 -10.523 7.333 196 H ASP 42 H ASP 42 0.724 -12.270 8.336 197 HA ASP 42 HA ASP 42 2.625 -12.615 6.237 198 1HB ASP 42 2HB ASP 42 3.454 -14.494 7.581 199 2HB ASP 42 1HB ASP 42 3.198 -13.066 8.580 200 H GLY 43 H GLY 43 3.037 -14.828 5.280 201 1HA GLY 43 2HA GLY 43 0.470 -15.903 4.307 202 2HA GLY 43 1HA GLY 43 1.986 -15.950 3.418 203 H LEU 44 H LEU 44 -0.123 -17.892 4.847 204 HA LEU 44 HA LEU 44 1.806 -19.600 6.213 205 1HB LEU 44 2HB LEU 44 -0.885 -19.035 6.638 206 2HB LEU 44 1HB LEU 44 -0.884 -20.667 5.999 207 HG LEU 44 HG LEU 44 0.625 -19.713 8.433 208 1HD1 LEU 44 1HD1 LEU 44 -1.893 -21.286 8.035 209 2HD1 LEU 44 2HD1 LEU 44 -1.609 -19.886 9.069 210 3HD1 LEU 44 3HD1 LEU 44 -0.927 -21.454 9.501 211 1HD2 LEU 44 1HD2 LEU 44 1.537 -21.823 8.671 212 2HD2 LEU 44 2HD2 LEU 44 1.639 -21.568 6.929 213 3HD2 LEU 44 3HD2 LEU 44 0.352 -22.570 7.598 214 H LEU 45 H LEU 45 0.905 -19.162 3.096 215 HA LEU 45 HA LEU 45 1.793 -21.813 2.361 216 1HB LEU 45 2HB LEU 45 -0.943 -20.788 1.621 217 2HB LEU 45 1HB LEU 45 -0.157 -22.123 0.802 218 HG LEU 45 HG LEU 45 -0.798 -22.110 3.751 219 1HD1 LEU 45 1HD1 LEU 45 -2.701 -22.102 1.884 220 2HD1 LEU 45 2HD1 LEU 45 -2.816 -23.060 3.361 221 3HD1 LEU 45 3HD1 LEU 45 -2.294 -23.818 1.855 222 1HD2 LEU 45 1HD2 LEU 45 1.011 -23.640 2.449 223 2HD2 LEU 45 2HD2 LEU 45 -0.444 -24.617 2.254 224 3HD2 LEU 45 3HD2 LEU 45 0.107 -24.168 3.868 225 H GLU 46 H GLU 46 2.452 -18.835 2.036 226 HA GLU 46 HA GLU 46 3.315 -19.062 -0.709 227 1HB GLU 46 2HB GLU 46 1.441 -16.854 0.148 228 2HB GLU 46 1HB GLU 46 2.365 -16.841 -1.347 229 1HG GLU 46 2HG GLU 46 0.282 -18.876 -0.586 230 2HG GLU 46 1HG GLU 46 0.061 -17.538 -1.711 231 H LYS 47 H LYS 47 4.363 -18.728 2.104 232 HA LYS 47 HA LYS 47 5.714 -17.270 3.340 233 1HB LYS 47 2HB LYS 47 6.996 -18.415 0.946 234 2HB LYS 47 1HB LYS 47 7.898 -17.129 1.734 235 1HG LYS 47 2HG LYS 47 6.912 -19.657 3.041 236 2HG LYS 47 1HG LYS 47 8.575 -19.306 2.564 237 1HD LYS 47 2HD LYS 47 8.925 -18.343 4.537 238 2HD LYS 47 1HD LYS 47 7.682 -17.148 4.163 239 1HE LYS 47 2HE LYS 47 6.664 -19.763 5.030 240 2HE LYS 47 1HE LYS 47 7.584 -18.885 6.251 241 1HZ LYS 47 1HZ LYS 47 4.993 -18.283 5.098 242 2HZ LYS 47 2HZ LYS 47 6.010 -16.950 5.320 243 3HZ LYS 47 3HZ LYS 47 5.603 -17.932 6.636 244 H GLY 48 H GLY 48 3.932 -15.520 2.375 245 1HA GLY 48 2HA GLY 48 5.628 -13.220 1.726 246 2HA GLY 48 1HA GLY 48 4.273 -13.564 0.662 247 H VAL 49 H VAL 49 3.700 -11.325 1.334 248 HA VAL 49 HA VAL 49 2.000 -11.442 3.723 249 HB VAL 49 HB VAL 49 3.762 -9.100 2.989 250 1HG1 VAL 49 1HG1 VAL 49 1.368 -9.303 4.617 251 2HG1 VAL 49 2HG1 VAL 49 2.234 -7.874 4.054 252 3HG1 VAL 49 3HG1 VAL 49 2.746 -8.690 5.531 253 1HG2 VAL 49 1HG2 VAL 49 5.123 -9.614 4.790 254 2HG2 VAL 49 2HG2 VAL 49 4.752 -11.207 4.132 255 3HG2 VAL 49 3HG2 VAL 49 3.897 -10.622 5.560 256 H TYR 50 H TYR 50 0.038 -10.470 3.540 257 HA TYR 50 HA TYR 50 -0.524 -8.852 1.165 258 1HB TYR 50 2HB TYR 50 -2.771 -10.577 1.691 259 2HB TYR 50 1HB TYR 50 -1.871 -10.349 0.196 260 HD1 TYR 50 1HD TYR 50 0.408 -11.615 0.054 261 HD2 TYR 50 2HD TYR 50 -2.729 -12.639 2.732 262 HE1 TYR 50 1HE TYR 50 1.344 -13.874 0.271 263 HE2 TYR 50 2HE TYR 50 -1.807 -14.902 2.959 264 HH TYR 50 HH TYR 50 -0.333 -16.444 1.555 265 H VAL 51 H VAL 51 -2.414 -7.523 1.362 266 HA VAL 51 HA VAL 51 -2.732 -6.325 3.859 267 HB VAL 51 HB VAL 51 -4.697 -6.272 1.565 268 1HG1 VAL 51 1HG1 VAL 51 -5.814 -5.370 3.412 269 2HG1 VAL 51 2HG1 VAL 51 -5.156 -3.965 2.576 270 3HG1 VAL 51 3HG1 VAL 51 -4.358 -4.583 4.020 271 1HG2 VAL 51 1HG2 VAL 51 -3.537 -4.220 0.884 272 2HG2 VAL 51 2HG2 VAL 51 -2.466 -5.619 0.840 273 3HG2 VAL 51 3HG2 VAL 51 -2.355 -4.467 2.169 274 H LYS 52 H LYS 52 -4.758 -6.177 5.137 275 HA LYS 52 HA LYS 52 -6.421 -8.568 5.057 276 1HB LYS 52 2HB LYS 52 -6.139 -8.889 7.509 277 2HB LYS 52 1HB LYS 52 -4.681 -9.209 6.581 278 1HG LYS 52 2HG LYS 52 -3.573 -7.417 7.438 279 2HG LYS 52 1HG LYS 52 -5.049 -6.482 7.688 280 1HD LYS 52 2HD LYS 52 -4.153 -7.105 9.832 281 2HD LYS 52 1HD LYS 52 -5.641 -8.012 9.551 282 1HE LYS 52 2HE LYS 52 -2.995 -9.192 8.807 283 2HE LYS 52 1HE LYS 52 -3.541 -9.232 10.483 284 1HZ LYS 52 1HZ LYS 52 -4.409 -11.177 9.732 285 2HZ LYS 52 2HZ LYS 52 -4.614 -10.626 8.145 286 3HZ LYS 52 3HZ LYS 52 -5.705 -10.157 9.349 287 H ASN 53 H ASN 53 -5.848 -5.363 6.285 288 HA ASN 53 HA ASN 53 -8.735 -4.948 6.420 289 1HB ASN 53 2HB ASN 53 -6.842 -4.688 8.727 290 2HB ASN 53 1HB ASN 53 -8.231 -3.608 8.622 291 1HD2 ASN 53 1HD2 ASN 53 -7.117 -6.665 9.519 292 2HD2 ASN 53 2HD2 ASN 53 -8.651 -7.385 9.890 293 H ILE 54 H ILE 54 -9.250 -3.140 5.378 294 HA ILE 54 HA ILE 54 -7.242 -0.986 5.233 295 HB ILE 54 HB ILE 54 -9.223 -1.678 3.067 296 1HG1 ILE 54 2HG1 ILE 54 -6.555 -2.751 3.676 297 2HG1 ILE 54 1HG1 ILE 54 -7.830 -3.412 2.658 298 1HG2 ILE 54 1HG2 ILE 54 -7.917 -0.119 1.712 299 2HG2 ILE 54 2HG2 ILE 54 -6.867 0.207 3.091 300 3HG2 ILE 54 3HG2 ILE 54 -8.566 0.672 3.151 301 1HD1 ILE 54 1HD1 ILE 54 -5.590 -1.582 1.945 302 2HD1 ILE 54 2HD1 ILE 54 -7.075 -1.557 0.993 303 3HD1 ILE 54 3HD1 ILE 54 -6.148 -3.050 1.141 304 H ARG 55 H ARG 55 -7.902 0.875 6.074 305 HA ARG 55 HA ARG 55 -10.532 1.258 7.051 306 1HB ARG 55 2HB ARG 55 -8.102 2.990 6.797 307 2HB ARG 55 1HB ARG 55 -9.642 3.719 7.232 308 1HG ARG 55 2HG ARG 55 -9.650 1.756 9.009 309 2HG ARG 55 1HG ARG 55 -7.905 1.877 8.776 310 1HD ARG 55 2HD ARG 55 -7.804 3.731 9.999 311 2HD ARG 55 1HD ARG 55 -9.075 4.494 9.044 312 HE ARG 55 HE ARG 55 -10.483 4.109 10.784 313 1HH1 ARG 55 1HH1 ARG 55 -7.935 1.729 10.924 314 2HH1 ARG 55 2HH1 ARG 55 -8.514 1.012 12.390 315 1HH2 ARG 55 1HH2 ARG 55 -11.246 3.168 12.712 316 2HH2 ARG 55 2HH2 ARG 55 -10.395 1.829 13.403 317 HA PRO 56 HA PRO 56 -12.212 2.574 3.089 318 1HB PRO 56 2HB PRO 56 -14.766 2.916 3.919 319 2HB PRO 56 1HB PRO 56 -14.069 1.322 3.610 320 1HG PRO 56 2HG PRO 56 -14.448 2.749 6.214 321 2HG PRO 56 1HG PRO 56 -14.760 1.049 5.816 322 1HD PRO 56 2HD PRO 56 -12.522 1.862 7.114 323 2HD PRO 56 1HD PRO 56 -12.541 0.464 6.020 324 H ALA 57 H ALA 57 -10.729 4.536 4.163 325 HA ALA 57 HA ALA 57 -12.108 6.871 3.456 326 1HB ALA 57 1HB ALA 57 -11.975 6.225 6.348 327 2HB ALA 57 2HB ALA 57 -13.209 7.095 5.437 328 3HB ALA 57 3HB ALA 57 -11.699 7.900 5.865 329 H GLY 58 H GLY 58 -9.482 5.749 5.581 330 1HA GLY 58 2HA GLY 58 -7.751 7.906 5.181 331 2HA GLY 58 1HA GLY 58 -7.254 6.285 5.643 332 HA PRO 59 HA PRO 59 -5.362 7.463 1.486 333 1HB PRO 59 2HB PRO 59 -3.257 5.765 2.734 334 2HB PRO 59 1HB PRO 59 -3.098 7.263 1.813 335 1HG PRO 59 2HG PRO 59 -2.810 7.260 4.459 336 2HG PRO 59 1HG PRO 59 -3.632 8.598 3.633 337 1HD PRO 59 2HD PRO 59 -4.790 6.345 5.214 338 2HD PRO 59 1HD PRO 59 -5.318 8.036 5.100 339 H GLY 60 H GLY 60 -5.636 4.455 3.305 340 1HA GLY 60 2HA GLY 60 -5.068 2.623 1.283 341 2HA GLY 60 1HA GLY 60 -6.143 2.318 2.639 342 H ASP 61 H ASP 61 -8.254 3.925 2.214 343 HA ASP 61 HA ASP 61 -9.593 2.621 0.054 344 1HB ASP 61 2HB ASP 61 -10.580 3.408 2.309 345 2HB ASP 61 1HB ASP 61 -10.677 4.996 1.554 346 H LEU 62 H LEU 62 -8.151 5.757 0.588 347 HA LEU 62 HA LEU 62 -9.280 7.162 -1.539 348 1HB LEU 62 2HB LEU 62 -6.580 7.414 -0.226 349 2HB LEU 62 1HB LEU 62 -7.178 8.548 -1.422 350 HG LEU 62 HG LEU 62 -8.572 7.982 1.193 351 1HD1 LEU 62 1HD1 LEU 62 -7.264 10.577 0.801 352 2HD1 LEU 62 2HD1 LEU 62 -6.162 9.213 0.988 353 3HD1 LEU 62 3HD1 LEU 62 -7.361 9.556 2.235 354 1HD2 LEU 62 1HD2 LEU 62 -9.612 9.063 -1.061 355 2HD2 LEU 62 2HD2 LEU 62 -8.986 10.503 -0.257 356 3HD2 LEU 62 3HD2 LEU 62 -10.144 9.464 0.572 357 H GLY 63 H GLY 63 -6.429 5.067 -1.420 358 1HA GLY 63 2HA GLY 63 -5.722 5.554 -4.163 359 2HA GLY 63 1HA GLY 63 -5.025 4.336 -3.105 360 H GLY 64 H GLY 64 -7.101 2.755 -2.436 361 1HA GLY 64 2HA GLY 64 -9.052 1.722 -3.614 362 2HA GLY 64 1HA GLY 64 -8.049 1.768 -5.056 363 H LEU 65 H LEU 65 -7.162 0.851 -1.749 364 HA LEU 65 HA LEU 65 -6.076 -1.649 -2.779 365 1HB LEU 65 2HB LEU 65 -5.905 -0.345 -0.063 366 2HB LEU 65 1HB LEU 65 -5.163 -1.882 -0.464 367 HG LEU 65 HG LEU 65 -4.494 0.567 -2.056 368 1HD1 LEU 65 1HD1 LEU 65 -3.593 -0.128 0.702 369 2HD1 LEU 65 2HD1 LEU 65 -3.968 1.448 0.004 370 3HD1 LEU 65 3HD1 LEU 65 -2.465 0.629 -0.420 371 1HD2 LEU 65 1HD2 LEU 65 -2.346 -0.652 -2.291 372 2HD2 LEU 65 2HD2 LEU 65 -3.729 -1.531 -2.944 373 3HD2 LEU 65 3HD2 LEU 65 -3.049 -1.991 -1.383 374 H LYS 66 H LYS 66 -6.655 -3.690 -2.009 375 HA LYS 66 HA LYS 66 -9.018 -3.860 -0.288 376 1HB LYS 66 2HB LYS 66 -9.860 -5.694 -1.891 377 2HB LYS 66 1HB LYS 66 -10.096 -4.015 -2.354 378 1HG LYS 66 2HG LYS 66 -7.891 -4.282 -3.651 379 2HG LYS 66 1HG LYS 66 -8.162 -6.014 -3.454 380 1HD LYS 66 2HD LYS 66 -10.430 -4.373 -4.440 381 2HD LYS 66 1HD LYS 66 -9.086 -4.656 -5.549 382 1HE LYS 66 2HE LYS 66 -9.561 -6.851 -5.773 383 2HE LYS 66 1HE LYS 66 -10.049 -7.024 -4.087 384 1HZ LYS 66 1HZ LYS 66 -11.796 -5.464 -5.829 385 2HZ LYS 66 2HZ LYS 66 -12.189 -6.505 -4.556 386 3HZ LYS 66 3HZ LYS 66 -11.771 -7.139 -6.067 387 HA PRO 67 HA PRO 67 -7.166 -7.274 1.764 388 1HB PRO 67 2HB PRO 67 -9.509 -8.955 1.022 389 2HB PRO 67 1HB PRO 67 -8.815 -8.632 2.614 390 1HG PRO 67 2HG PRO 67 -11.087 -7.465 1.862 391 2HG PRO 67 1HG PRO 67 -9.875 -6.578 2.809 392 1HD PRO 67 2HD PRO 67 -10.515 -6.396 -0.104 393 2HD PRO 67 1HD PRO 67 -10.040 -5.116 1.032 394 H TYR 68 H TYR 68 -5.908 -9.059 1.369 395 HA TYR 68 HA TYR 68 -5.033 -10.880 0.254 396 1HB TYR 68 2HB TYR 68 -6.644 -10.191 -2.199 397 2HB TYR 68 1HB TYR 68 -5.900 -11.729 -1.782 398 HD1 TYR 68 1HD TYR 68 -8.898 -10.758 -2.453 399 HD2 TYR 68 2HD TYR 68 -6.820 -11.997 1.046 400 HE1 TYR 68 1HE TYR 68 -11.020 -11.514 -1.469 401 HE2 TYR 68 2HE TYR 68 -8.936 -12.754 2.042 402 HH TYR 68 HH TYR 68 -11.820 -13.045 0.231 403 H ASP 69 H ASP 69 -5.068 -7.652 -0.695 404 HA ASP 69 HA ASP 69 -3.451 -7.518 -2.924 405 1HB ASP 69 2HB ASP 69 -3.986 -5.730 -0.612 406 2HB ASP 69 1HB ASP 69 -2.584 -5.353 -1.606 407 H ARG 70 H ARG 70 -1.941 -9.220 -2.805 408 HA ARG 70 HA ARG 70 0.000 -9.371 -0.712 409 1HB ARG 70 2HB ARG 70 -0.546 -11.386 -1.844 410 2HB ARG 70 1HB ARG 70 -0.253 -10.668 -3.418 411 1HG ARG 70 2HG ARG 70 2.173 -10.449 -2.724 412 2HG ARG 70 1HG ARG 70 1.767 -11.477 -1.347 413 1HD ARG 70 2HD ARG 70 1.544 -12.161 -4.273 414 2HD ARG 70 1HD ARG 70 2.661 -12.852 -3.098 415 HE ARG 70 HE ARG 70 -0.043 -13.245 -2.313 416 1HH1 ARG 70 1HH1 ARG 70 2.418 -14.430 -4.484 417 2HH1 ARG 70 2HH1 ARG 70 1.745 -16.023 -4.580 418 1HH2 ARG 70 1HH2 ARG 70 -0.930 -15.341 -2.435 419 2HH2 ARG 70 2HH2 ARG 70 -0.156 -16.540 -3.418 420 H LEU 71 H LEU 71 1.106 -7.456 -0.529 421 HA LEU 71 HA LEU 71 2.074 -5.861 -2.591 422 1HB LEU 71 2HB LEU 71 3.310 -6.274 0.133 423 2HB LEU 71 1HB LEU 71 3.603 -4.913 -0.933 424 HG LEU 71 HG LEU 71 0.769 -5.311 -0.294 425 1HD1 LEU 71 1HD1 LEU 71 2.761 -4.739 1.886 426 2HD1 LEU 71 2HD1 LEU 71 1.525 -5.996 1.845 427 3HD1 LEU 71 3HD1 LEU 71 1.056 -4.302 1.991 428 1HD2 LEU 71 1HD2 LEU 71 1.917 -2.784 0.457 429 2HD2 LEU 71 2HD2 LEU 71 0.750 -3.152 -0.813 430 3HD2 LEU 71 3HD2 LEU 71 2.478 -3.261 -1.145 431 H LEU 72 H LEU 72 3.379 -6.458 -4.193 432 HA LEU 72 HA LEU 72 5.248 -8.626 -3.870 433 1HB LEU 72 2HB LEU 72 4.878 -6.787 -6.229 434 2HB LEU 72 1HB LEU 72 5.752 -8.305 -6.223 435 HG LEU 72 HG LEU 72 2.823 -7.802 -6.311 436 1HD1 LEU 72 1HD1 LEU 72 4.295 -8.442 -8.263 437 2HD1 LEU 72 2HD1 LEU 72 2.867 -9.443 -8.003 438 3HD1 LEU 72 3HD1 LEU 72 4.455 -10.025 -7.503 439 1HD2 LEU 72 1HD2 LEU 72 3.821 -10.463 -5.357 440 2HD2 LEU 72 2HD2 LEU 72 2.178 -9.828 -5.359 441 3HD2 LEU 72 3HD2 LEU 72 3.361 -9.201 -4.215 442 H GLN 73 H GLN 73 5.661 -5.280 -5.039 443 HA GLN 73 HA GLN 73 8.197 -5.157 -3.567 444 1HB GLN 73 2HB GLN 73 9.267 -4.040 -5.481 445 2HB GLN 73 1HB GLN 73 8.765 -5.679 -5.875 446 1HG GLN 73 2HG GLN 73 7.457 -4.978 -7.520 447 2HG GLN 73 1HG GLN 73 6.696 -3.762 -6.495 448 1HE2 GLN 73 1HE2 GLN 73 7.123 -1.698 -6.879 449 2HE2 GLN 73 2HE2 GLN 73 8.376 -1.106 -7.919 450 H VAL 74 H VAL 74 8.690 -3.200 -2.675 451 HA VAL 74 HA VAL 74 6.723 -1.040 -3.078 452 HB VAL 74 HB VAL 74 8.274 -1.577 -0.544 453 1HG1 VAL 74 1HG1 VAL 74 5.889 0.204 -1.025 454 2HG1 VAL 74 2HG1 VAL 74 7.560 0.765 -0.960 455 3HG1 VAL 74 3HG1 VAL 74 6.815 0.045 0.467 456 1HG2 VAL 74 1HG2 VAL 74 5.548 -2.462 -1.414 457 2HG2 VAL 74 2HG2 VAL 74 5.914 -2.206 0.292 458 3HG2 VAL 74 3HG2 VAL 74 6.828 -3.395 -0.637 459 H ASN 75 H ASN 75 7.581 0.641 -4.100 460 HA ASN 75 HA ASN 75 9.010 2.315 -4.685 461 1HB ASN 75 2HB ASN 75 9.665 1.760 -1.983 462 2HB ASN 75 1HB ASN 75 11.187 1.946 -2.848 463 1HD2 ASN 75 1HD2 ASN 75 8.049 3.480 -2.330 464 2HD2 ASN 75 2HD2 ASN 75 8.621 5.109 -2.492 465 H HIS 76 H HIS 76 9.248 -0.452 -5.643 466 HA HIS 76 HA HIS 76 10.497 -1.370 -7.338 467 1HB HIS 76 2HB HIS 76 11.703 1.070 -7.197 468 2HB HIS 76 1HB HIS 76 13.036 0.007 -6.762 469 HD1 HIS 76 1HD HIS 76 10.346 -0.739 -9.319 470 HD2 HIS 76 2HD HIS 76 14.425 0.027 -9.116 471 HE1 HIS 76 1HE HIS 76 11.221 -1.142 -11.641 472 HE2 HIS 76 2HE HIS 76 13.671 -0.568 -11.518 473 H VAL 77 H VAL 77 11.131 -1.354 -4.054 474 HA VAL 77 HA VAL 77 13.364 -3.192 -4.141 475 HB VAL 77 HB VAL 77 12.959 -1.469 -2.295 476 1HG1 VAL 77 1HG1 VAL 77 10.523 -2.664 -2.054 477 2HG1 VAL 77 2HG1 VAL 77 11.289 -1.675 -0.813 478 3HG1 VAL 77 3HG1 VAL 77 11.427 -3.432 -0.749 479 1HG2 VAL 77 1HG2 VAL 77 14.372 -2.637 -0.981 480 2HG2 VAL 77 2HG2 VAL 77 14.386 -3.748 -2.352 481 3HG2 VAL 77 3HG2 VAL 77 13.346 -4.072 -0.965 482 H ARG 78 H ARG 78 13.300 -5.359 -3.975 483 HA ARG 78 HA ARG 78 10.843 -6.709 -4.458 484 1HB ARG 78 2HB ARG 78 13.657 -7.621 -3.928 485 2HB ARG 78 1HB ARG 78 12.338 -8.778 -4.045 486 1HG ARG 78 2HG ARG 78 11.945 -7.300 -6.288 487 2HG ARG 78 1HG ARG 78 13.703 -7.254 -6.141 488 1HD ARG 78 2HD ARG 78 13.796 -9.668 -6.069 489 2HD ARG 78 1HD ARG 78 12.036 -9.768 -6.077 490 HE ARG 78 HE ARG 78 12.080 -9.510 -8.342 491 1HH1 ARG 78 1HH1 ARG 78 15.129 -8.410 -7.047 492 2HH1 ARG 78 2HH1 ARG 78 15.846 -8.166 -8.605 493 1HH2 ARG 78 1HH2 ARG 78 13.020 -9.189 -10.391 494 2HH2 ARG 78 2HH2 ARG 78 14.649 -8.609 -10.504 495 H THR 79 H THR 79 9.354 -7.218 -3.006 496 HA THR 79 HA THR 79 10.169 -8.200 -0.385 497 HB THR 79 HB THR 79 8.713 -6.724 0.839 498 HG1 THR 79 1HG THR 79 8.083 -5.453 -1.610 499 1HG2 THR 79 1HG2 THR 79 10.888 -5.770 0.482 500 2HG2 THR 79 2HG2 THR 79 9.664 -4.502 0.391 501 3HG2 THR 79 3HG2 THR 79 10.388 -5.137 -1.087 502 H ARG 80 H ARG 80 9.085 -9.515 -2.670 503 HA ARG 80 HA ARG 80 6.277 -9.936 -2.283 504 1HB ARG 80 2HB ARG 80 8.189 -10.558 -4.267 505 2HB ARG 80 1HB ARG 80 7.524 -12.091 -3.720 506 1HG ARG 80 2HG ARG 80 5.237 -10.819 -4.011 507 2HG ARG 80 1HG ARG 80 6.193 -9.834 -5.120 508 1HD ARG 80 2HD ARG 80 5.355 -11.490 -6.507 509 2HD ARG 80 1HD ARG 80 6.957 -12.101 -6.100 510 HE ARG 80 HE ARG 80 4.948 -13.048 -4.305 511 1HH1 ARG 80 1HH1 ARG 80 6.378 -13.563 -7.448 512 2HH1 ARG 80 2HH1 ARG 80 5.945 -15.239 -7.509 513 1HH2 ARG 80 1HH2 ARG 80 4.378 -15.252 -4.385 514 2HH2 ARG 80 2HH2 ARG 80 4.809 -16.197 -5.770 515 H ASP 81 H ASP 81 9.198 -11.854 -1.628 516 HA ASP 81 HA ASP 81 7.620 -13.770 -0.097 517 1HB ASP 81 2HB ASP 81 10.344 -13.736 -1.287 518 2HB ASP 81 1HB ASP 81 10.116 -14.711 0.161 519 H PHE 82 H PHE 82 8.125 -10.972 0.818 520 HA PHE 82 HA PHE 82 9.922 -11.214 3.058 521 1HB PHE 82 2HB PHE 82 8.278 -9.071 1.831 522 2HB PHE 82 1HB PHE 82 8.603 -8.917 3.553 523 HD1 PHE 82 1HD PHE 82 10.903 -10.408 1.076 524 HD2 PHE 82 2HD PHE 82 9.994 -7.026 3.490 525 HE1 PHE 82 1HE PHE 82 13.114 -9.457 0.571 526 HE2 PHE 82 2HE PHE 82 12.205 -6.068 2.990 527 HZ PHE 82 HZ PHE 82 13.768 -7.284 1.527 528 H ASP 83 H ASP 83 9.077 -10.475 5.255 529 HA ASP 83 HA ASP 83 6.622 -11.982 5.844 530 1HB ASP 83 2HB ASP 83 9.165 -12.123 6.995 531 2HB ASP 83 1HB ASP 83 8.199 -11.237 8.172 532 H CYS 84 H CYS 84 5.219 -11.116 7.549 533 HA CYS 84 HA CYS 84 4.357 -8.544 7.067 534 1HB CYS 84 2HB CYS 84 3.209 -8.732 9.325 535 2HB CYS 84 1HB CYS 84 2.878 -10.030 8.184 536 HG CYS 84 HG CYS 84 3.414 -11.391 10.181 537 H CYS 85 H CYS 85 6.616 -9.677 9.537 538 HA CYS 85 HA CYS 85 6.911 -7.248 10.889 539 1HB CYS 85 2HB CYS 85 8.316 -9.828 10.799 540 2HB CYS 85 1HB CYS 85 9.331 -8.462 11.252 541 HG CYS 85 HG CYS 85 7.255 -8.089 13.101 542 H LEU 86 H LEU 86 8.192 -8.381 7.886 543 HA LEU 86 HA LEU 86 10.251 -6.321 7.794 544 1HB LEU 86 2HB LEU 86 9.535 -8.692 6.134 545 2HB LEU 86 1HB LEU 86 10.410 -7.383 5.366 546 HG LEU 86 HG LEU 86 12.182 -7.601 7.100 547 1HD1 LEU 86 1HD1 LEU 86 12.222 -9.386 8.630 548 2HD1 LEU 86 2HD1 LEU 86 10.851 -10.184 7.857 549 3HD1 LEU 86 3HD1 LEU 86 10.606 -8.690 8.764 550 1HD2 LEU 86 1HD2 LEU 86 11.601 -10.132 5.568 551 2HD2 LEU 86 2HD2 LEU 86 13.173 -9.607 6.173 552 3HD2 LEU 86 3HD2 LEU 86 12.365 -8.689 4.902 553 H VAL 87 H VAL 87 7.080 -7.007 6.521 554 HA VAL 87 HA VAL 87 7.155 -4.925 4.545 555 HB VAL 87 HB VAL 87 4.807 -6.499 5.612 556 1HG1 VAL 87 1HG1 VAL 87 5.080 -4.442 3.468 557 2HG1 VAL 87 2HG1 VAL 87 3.782 -4.684 4.637 558 3HG1 VAL 87 3HG1 VAL 87 3.933 -5.764 3.251 559 1HG2 VAL 87 1HG2 VAL 87 6.640 -6.904 3.262 560 2HG2 VAL 87 2HG2 VAL 87 5.052 -7.663 3.373 561 3HG2 VAL 87 3HG2 VAL 87 6.287 -8.022 4.579 562 H VAL 88 H VAL 88 5.942 -5.277 7.848 563 HA VAL 88 HA VAL 88 4.350 -3.006 7.975 564 HB VAL 88 HB VAL 88 6.062 -4.133 10.197 565 1HG1 VAL 88 1HG1 VAL 88 5.436 -2.027 10.959 566 2HG1 VAL 88 2HG1 VAL 88 4.172 -3.081 11.593 567 3HG1 VAL 88 3HG1 VAL 88 3.866 -2.099 10.159 568 1HG2 VAL 88 1HG2 VAL 88 3.206 -4.663 10.274 569 2HG2 VAL 88 2HG2 VAL 88 4.567 -5.768 10.464 570 3HG2 VAL 88 3HG2 VAL 88 3.988 -5.353 8.852 571 HA PRO 89 HA PRO 89 8.295 -0.475 9.214 572 1HB PRO 89 2HB PRO 89 10.533 -2.074 8.191 573 2HB PRO 89 1HB PRO 89 10.319 -1.346 9.785 574 1HG PRO 89 2HG PRO 89 10.203 -4.010 9.403 575 2HG PRO 89 1HG PRO 89 9.217 -3.185 10.626 576 1HD PRO 89 2HD PRO 89 8.436 -4.149 7.903 577 2HD PRO 89 1HD PRO 89 7.547 -4.268 9.429 578 H LEU 90 H LEU 90 8.859 -2.568 6.365 579 HA LEU 90 HA LEU 90 9.981 -0.658 4.697 580 1HB LEU 90 2HB LEU 90 8.332 -3.106 4.169 581 2HB LEU 90 1HB LEU 90 8.852 -2.081 2.843 582 HG LEU 90 HG LEU 90 10.861 -3.147 4.794 583 1HD1 LEU 90 1HD1 LEU 90 10.750 -5.240 4.054 584 2HD1 LEU 90 2HD1 LEU 90 10.646 -4.718 2.372 585 3HD1 LEU 90 3HD1 LEU 90 9.185 -4.821 3.356 586 1HD2 LEU 90 1HD2 LEU 90 10.974 -2.363 1.884 587 2HD2 LEU 90 2HD2 LEU 90 12.331 -2.969 2.832 588 3HD2 LEU 90 3HD2 LEU 90 11.585 -1.425 3.246 589 H ILE 91 H ILE 91 6.679 -1.162 5.642 590 HA ILE 91 HA ILE 91 5.493 0.468 3.615 591 HB ILE 91 HB ILE 91 4.506 -0.719 6.198 592 1HG1 ILE 91 2HG1 ILE 91 3.509 -1.055 3.368 593 2HG1 ILE 91 1HG1 ILE 91 4.761 -2.072 4.083 594 1HG2 ILE 91 1HG2 ILE 91 3.492 1.600 5.772 595 2HG2 ILE 91 2HG2 ILE 91 2.388 0.251 6.027 596 3HG2 ILE 91 3HG2 ILE 91 2.687 0.844 4.396 597 1HD1 ILE 91 1HD1 ILE 91 1.978 -1.770 5.188 598 2HD1 ILE 91 2HD1 ILE 91 3.223 -2.900 5.721 599 3HD1 ILE 91 3HD1 ILE 91 2.501 -3.074 4.122 600 H ALA 92 H ALA 92 6.180 0.946 7.077 601 HA ALA 92 HA ALA 92 5.469 3.703 7.000 602 1HB ALA 92 1HB ALA 92 6.303 3.736 9.329 603 2HB ALA 92 2HB ALA 92 6.829 2.064 9.124 604 3HB ALA 92 3HB ALA 92 5.114 2.468 9.027 605 H GLU 93 H GLU 93 8.125 2.133 5.825 606 HA GLU 93 HA GLU 93 10.072 4.143 6.629 607 1HB GLU 93 2HB GLU 93 10.174 1.443 5.458 608 2HB GLU 93 1HB GLU 93 11.394 2.557 4.855 609 1HG GLU 93 2HG GLU 93 11.609 3.010 7.497 610 2HG GLU 93 1HG GLU 93 11.098 1.323 7.507 611 H SER 94 H SER 94 7.799 3.827 4.203 612 HA SER 94 HA SER 94 9.214 4.766 1.958 613 1HB SER 94 2HB SER 94 6.804 3.753 2.173 614 2HB SER 94 1HB SER 94 6.327 5.441 2.350 615 HG SER 94 HG SER 94 7.275 5.871 0.346 616 H GLY 95 H GLY 95 8.272 6.344 4.808 617 1HA GLY 95 2HA GLY 95 8.990 8.501 5.414 618 2HA GLY 95 1HA GLY 95 9.212 8.880 3.712 619 H ASN 96 H ASN 96 6.834 8.451 2.571 620 HA ASN 96 HA ASN 96 4.630 9.445 4.082 621 1HB ASN 96 2HB ASN 96 6.394 11.362 2.786 622 2HB ASN 96 1HB ASN 96 4.741 11.487 2.192 623 1HD2 ASN 96 1HD2 ASN 96 6.583 13.066 4.079 624 2HD2 ASN 96 2HD2 ASN 96 5.557 13.410 5.433 625 H LYS 97 H LYS 97 6.033 9.177 0.832 626 HA LYS 97 HA LYS 97 3.394 8.450 -0.217 627 1HB LYS 97 2HB LYS 97 5.735 9.801 -1.310 628 2HB LYS 97 1HB LYS 97 5.159 8.515 -2.361 629 1HG LYS 97 2HG LYS 97 2.863 9.554 -2.152 630 2HG LYS 97 1HG LYS 97 3.665 10.938 -1.404 631 1HD LYS 97 2HD LYS 97 3.361 11.358 -3.764 632 2HD LYS 97 1HD LYS 97 5.080 11.159 -3.417 633 1HE LYS 97 2HE LYS 97 5.134 9.013 -4.369 634 2HE LYS 97 1HE LYS 97 3.377 8.869 -4.348 635 1HZ LYS 97 1HZ LYS 97 4.343 9.316 -6.573 636 2HZ LYS 97 2HZ LYS 97 4.849 10.831 -6.017 637 3HZ LYS 97 3HZ LYS 97 3.199 10.464 -6.087 638 H LEU 98 H LEU 98 3.004 6.335 0.002 639 HA LEU 98 HA LEU 98 5.198 4.439 -0.319 640 1HB LEU 98 2HB LEU 98 2.869 4.530 1.300 641 2HB LEU 98 1HB LEU 98 2.717 3.141 0.244 642 HG LEU 98 HG LEU 98 4.858 3.689 2.289 643 1HD1 LEU 98 1HD1 LEU 98 4.058 1.815 3.368 644 2HD1 LEU 98 2HD1 LEU 98 3.296 1.172 1.914 645 3HD1 LEU 98 3HD1 LEU 98 2.581 2.550 2.751 646 1HD2 LEU 98 1HD2 LEU 98 5.796 1.464 1.437 647 2HD2 LEU 98 2HD2 LEU 98 6.151 2.913 0.498 648 3HD2 LEU 98 3HD2 LEU 98 4.897 1.798 -0.043 649 H ASP 99 H ASP 99 5.561 4.197 -2.463 650 HA ASP 99 HA ASP 99 3.288 3.499 -4.187 651 1HB ASP 99 2HB ASP 99 4.764 5.301 -5.003 652 2HB ASP 99 1HB ASP 99 6.142 4.207 -4.923 653 H LEU 100 H LEU 100 2.910 1.393 -4.473 654 HA LEU 100 HA LEU 100 5.171 -0.432 -4.765 655 1HB LEU 100 2HB LEU 100 3.935 -2.041 -3.182 656 2HB LEU 100 1HB LEU 100 4.900 -0.753 -2.488 657 HG LEU 100 HG LEU 100 2.589 0.530 -2.484 658 1HD1 LEU 100 1HD1 LEU 100 1.866 -2.341 -2.803 659 2HD1 LEU 100 2HD1 LEU 100 1.085 -0.901 -3.456 660 3HD1 LEU 100 3HD1 LEU 100 0.884 -1.318 -1.754 661 1HD2 LEU 100 1HD2 LEU 100 3.464 0.370 -0.405 662 2HD2 LEU 100 2HD2 LEU 100 3.845 -1.343 -0.576 663 3HD2 LEU 100 3HD2 LEU 100 2.193 -0.840 -0.219 664 H VAL 101 H VAL 101 4.510 -2.606 -5.451 665 HA VAL 101 HA VAL 101 2.049 -2.520 -7.072 666 HB VAL 101 HB VAL 101 4.510 -4.169 -7.654 667 1HG1 VAL 101 1HG1 VAL 101 2.575 -3.455 -9.762 668 2HG1 VAL 101 2HG1 VAL 101 2.000 -4.580 -8.532 669 3HG1 VAL 101 3HG1 VAL 101 3.439 -4.966 -9.474 670 1HG2 VAL 101 1HG2 VAL 101 4.911 -2.521 -9.486 671 2HG2 VAL 101 2HG2 VAL 101 5.156 -1.874 -7.864 672 3HG2 VAL 101 3HG2 VAL 101 3.683 -1.488 -8.755 673 H ILE 102 H ILE 102 0.539 -3.688 -6.076 674 HA ILE 102 HA ILE 102 1.326 -6.137 -4.654 675 HB ILE 102 HB ILE 102 -0.814 -6.012 -3.523 676 1HG1 ILE 102 2HG1 ILE 102 -2.068 -3.706 -4.005 677 2HG1 ILE 102 1HG1 ILE 102 -1.336 -3.931 -5.593 678 1HG2 ILE 102 1HG2 ILE 102 0.045 -4.600 -2.036 679 2HG2 ILE 102 2HG2 ILE 102 -0.211 -3.224 -3.109 680 3HG2 ILE 102 3HG2 ILE 102 1.268 -4.176 -3.233 681 1HD1 ILE 102 1HD1 ILE 102 -2.846 -6.174 -4.343 682 2HD1 ILE 102 2HD1 ILE 102 -2.574 -5.808 -6.046 683 3HD1 ILE 102 3HD1 ILE 102 -3.715 -4.845 -5.110 684 H SER 103 H SER 103 -0.383 -7.902 -4.720 685 HA SER 103 HA SER 103 -1.517 -8.136 -7.427 686 1HB SER 103 2HB SER 103 -0.857 -10.443 -7.549 687 2HB SER 103 1HB SER 103 0.572 -9.508 -7.112 688 HG SER 103 HG SER 103 -1.081 -11.016 -5.366 689 H ARG 104 H ARG 104 -3.646 -7.997 -7.144 690 HA ARG 104 HA ARG 104 -4.861 -9.465 -4.900 691 1HB ARG 104 2HB ARG 104 -6.813 -7.928 -5.238 692 2HB ARG 104 1HB ARG 104 -5.338 -7.132 -4.709 693 1HG ARG 104 2HG ARG 104 -5.515 -5.737 -6.414 694 2HG ARG 104 1HG ARG 104 -5.301 -7.092 -7.522 695 1HD ARG 104 2HD ARG 104 -7.801 -7.504 -7.230 696 2HD ARG 104 1HD ARG 104 -7.860 -5.904 -6.494 697 HE ARG 104 HE ARG 104 -6.580 -5.951 -9.069 698 1HH1 ARG 104 1HH1 ARG 104 -9.629 -5.684 -7.392 699 2HH1 ARG 104 2HH1 ARG 104 -10.412 -4.848 -8.689 700 1HH2 ARG 104 1HH2 ARG 104 -7.608 -4.852 -10.776 701 2HH2 ARG 104 2HH2 ARG 104 -9.265 -4.375 -10.613 702 H ASN 105 H ASN 105 -5.704 -11.339 -5.490 703 HA ASN 105 HA ASN 105 -6.284 -12.095 -8.134 704 1HB ASN 105 2HB ASN 105 -7.522 -14.012 -7.002 705 2HB ASN 105 1HB ASN 105 -5.821 -13.827 -6.588 706 1HD2 ASN 105 1HD2 ASN 105 -9.054 -12.875 -5.510 707 2HD2 ASN 105 2HD2 ASN 105 -8.699 -12.950 -3.817 708 HA PRO 106 HA PRO 106 -10.379 -10.586 -8.767 709 1HB PRO 106 2HB PRO 106 -11.424 -12.422 -10.430 710 2HB PRO 106 1HB PRO 106 -10.104 -11.355 -10.928 711 1HG PRO 106 2HG PRO 106 -10.001 -14.209 -10.036 712 2HG PRO 106 1HG PRO 106 -9.131 -13.419 -11.363 713 1HD PRO 106 2HD PRO 106 -8.029 -13.932 -8.907 714 2HD PRO 106 1HD PRO 106 -7.495 -12.619 -9.974 Start of MODEL 11 1 1H SER 16 1HT SER 16 -11.866 -14.209 -13.493 2 2H SER 16 2HT SER 16 -12.970 -14.695 -12.275 3 3H SER 16 3HT SER 16 -12.052 -15.871 -13.124 4 HA SER 16 HA SER 16 -10.367 -13.940 -11.973 5 1HB SER 16 2HB SER 16 -12.347 -13.783 -10.415 6 2HB SER 16 1HB SER 16 -12.099 -15.485 -10.029 7 HG SER 16 HG SER 16 -11.069 -13.822 -8.626 8 HA PRO 17 HA PRO 17 -9.048 -18.391 -12.811 9 1HB PRO 17 2HB PRO 17 -6.888 -16.992 -14.262 10 2HB PRO 17 1HB PRO 17 -7.895 -18.346 -14.779 11 1HG PRO 17 2HG PRO 17 -8.226 -15.890 -15.798 12 2HG PRO 17 1HG PRO 17 -9.602 -16.972 -15.511 13 1HD PRO 17 2HD PRO 17 -8.657 -14.636 -13.895 14 2HD PRO 17 1HD PRO 17 -10.314 -15.139 -14.288 15 H THR 18 H THR 18 -6.544 -15.854 -12.723 16 HA THR 18 HA THR 18 -4.878 -17.324 -10.999 17 HB THR 18 HB THR 18 -4.440 -14.426 -11.015 18 HG1 THR 18 1HG THR 18 -4.384 -15.815 -13.483 19 1HG2 THR 18 1HG2 THR 18 -2.305 -15.018 -11.028 20 2HG2 THR 18 2HG2 THR 18 -2.522 -16.051 -12.441 21 3HG2 THR 18 3HG2 THR 18 -2.862 -16.681 -10.829 22 HA PRO 19 HA PRO 19 -6.533 -16.378 -7.015 23 1HB PRO 19 2HB PRO 19 -3.794 -16.308 -5.949 24 2HB PRO 19 1HB PRO 19 -5.108 -17.432 -5.592 25 1HG PRO 19 2HG PRO 19 -2.954 -18.172 -7.020 26 2HG PRO 19 1HG PRO 19 -4.569 -18.826 -7.348 27 1HD PRO 19 2HD PRO 19 -3.060 -16.685 -8.803 28 2HD PRO 19 1HD PRO 19 -4.050 -18.009 -9.454 29 H VAL 20 H VAL 20 -4.401 -14.280 -8.632 30 HA VAL 20 HA VAL 20 -5.343 -12.038 -7.145 31 HB VAL 20 HB VAL 20 -3.103 -11.132 -6.632 32 1HG1 VAL 20 1HG1 VAL 20 -4.474 -12.350 -4.946 33 2HG1 VAL 20 2HG1 VAL 20 -2.740 -12.385 -4.633 34 3HG1 VAL 20 3HG1 VAL 20 -3.541 -13.800 -5.312 35 1HG2 VAL 20 1HG2 VAL 20 -1.369 -13.177 -6.488 36 2HG2 VAL 20 2HG2 VAL 20 -1.473 -12.088 -7.870 37 3HG2 VAL 20 3HG2 VAL 20 -2.281 -13.655 -7.919 38 H GLU 21 H GLU 21 -4.419 -9.964 -8.033 39 HA GLU 21 HA GLU 21 -3.506 -10.192 -10.802 40 1HB GLU 21 2HB GLU 21 -5.969 -8.723 -9.868 41 2HB GLU 21 1HB GLU 21 -5.160 -8.333 -11.380 42 1HG GLU 21 2HG GLU 21 -5.901 -11.162 -10.894 43 2HG GLU 21 1HG GLU 21 -7.190 -10.017 -11.260 44 H LEU 22 H LEU 22 -1.786 -8.918 -11.073 45 HA LEU 22 HA LEU 22 -0.805 -7.229 -9.091 46 1HB LEU 22 2HB LEU 22 -0.168 -7.728 -11.947 47 2HB LEU 22 1HB LEU 22 0.515 -6.295 -11.199 48 HG LEU 22 HG LEU 22 0.906 -9.145 -10.312 49 1HD1 LEU 22 1HD1 LEU 22 3.365 -8.210 -10.739 50 2HD1 LEU 22 2HD1 LEU 22 2.491 -7.199 -11.890 51 3HD1 LEU 22 3HD1 LEU 22 2.402 -8.956 -12.015 52 1HD2 LEU 22 1HD2 LEU 22 2.654 -7.871 -8.815 53 2HD2 LEU 22 2HD2 LEU 22 0.979 -8.055 -8.293 54 3HD2 LEU 22 3HD2 LEU 22 1.516 -6.536 -9.008 55 H HIS 23 H HIS 23 -0.948 -5.118 -8.662 56 HA HIS 23 HA HIS 23 -2.143 -3.275 -10.540 57 1HB HIS 23 2HB HIS 23 -4.220 -3.554 -9.704 58 2HB HIS 23 1HB HIS 23 -3.631 -4.438 -8.304 59 HD1 HIS 23 1HD HIS 23 -3.460 -0.774 -9.367 60 HD2 HIS 23 2HD HIS 23 -4.384 -3.139 -6.078 61 HE1 HIS 23 1HE HIS 23 -4.083 0.835 -7.536 62 HE2 HIS 23 2HE HIS 23 -4.737 -0.624 -5.589 63 H LYS 24 H LYS 24 -0.897 -1.534 -10.475 64 HA LYS 24 HA LYS 24 0.984 -1.077 -8.393 65 1HB LYS 24 2HB LYS 24 0.958 -0.377 -10.954 66 2HB LYS 24 1HB LYS 24 0.256 1.096 -10.301 67 1HG LYS 24 2HG LYS 24 2.176 1.694 -9.206 68 2HG LYS 24 1HG LYS 24 2.745 0.029 -9.069 69 1HD LYS 24 2HD LYS 24 3.960 0.255 -10.917 70 2HD LYS 24 1HD LYS 24 2.531 0.731 -11.836 71 1HE LYS 24 2HE LYS 24 4.230 2.577 -10.161 72 2HE LYS 24 1HE LYS 24 4.311 2.429 -11.916 73 1HZ LYS 24 1HZ LYS 24 2.936 4.236 -11.609 74 2HZ LYS 24 2HZ LYS 24 2.166 3.577 -10.255 75 3HZ LYS 24 3HZ LYS 24 1.813 2.983 -11.800 76 H VAL 25 H VAL 25 0.832 0.119 -6.596 77 HA VAL 25 HA VAL 25 -1.432 1.979 -6.344 78 HB VAL 25 HB VAL 25 -0.758 0.844 -3.780 79 1HG1 VAL 25 1HG1 VAL 25 -3.301 0.860 -5.396 80 2HG1 VAL 25 2HG1 VAL 25 -2.785 2.088 -4.242 81 3HG1 VAL 25 3HG1 VAL 25 -3.177 0.463 -3.683 82 1HG2 VAL 25 1HG2 VAL 25 -1.535 -1.415 -4.066 83 2HG2 VAL 25 2HG2 VAL 25 -0.173 -1.143 -5.153 84 3HG2 VAL 25 3HG2 VAL 25 -1.819 -1.144 -5.785 85 H THR 26 H THR 26 -1.057 3.838 -5.262 86 HA THR 26 HA THR 26 1.567 4.229 -4.009 87 HB THR 26 HB THR 26 0.264 6.125 -5.976 88 HG1 THR 26 1HG THR 26 2.624 4.565 -6.180 89 1HG2 THR 26 1HG2 THR 26 3.058 6.478 -5.060 90 2HG2 THR 26 2HG2 THR 26 1.761 7.000 -3.986 91 3HG2 THR 26 3HG2 THR 26 1.883 7.671 -5.613 92 H LEU 27 H LEU 27 1.000 4.561 -1.933 93 HA LEU 27 HA LEU 27 -1.322 6.277 -1.382 94 1HB LEU 27 2HB LEU 27 0.100 4.448 0.542 95 2HB LEU 27 1HB LEU 27 -1.445 5.245 0.779 96 HG LEU 27 HG LEU 27 -1.242 3.410 -1.541 97 1HD1 LEU 27 1HD1 LEU 27 -0.142 2.445 0.693 98 2HD1 LEU 27 2HD1 LEU 27 -1.096 1.456 -0.413 99 3HD1 LEU 27 3HD1 LEU 27 -1.837 2.114 1.045 100 1HD2 LEU 27 1HD2 LEU 27 -3.516 2.984 -1.043 101 2HD2 LEU 27 2HD2 LEU 27 -3.280 4.722 -0.848 102 3HD2 LEU 27 3HD2 LEU 27 -3.366 3.678 0.572 103 H TYR 28 H TYR 28 -1.084 7.424 0.840 104 HA TYR 28 HA TYR 28 1.565 8.700 0.953 105 1HB TYR 28 2HB TYR 28 -1.079 10.076 1.451 106 2HB TYR 28 1HB TYR 28 0.513 10.828 1.400 107 HD1 TYR 28 1HD TYR 28 -2.405 10.294 -0.425 108 HD2 TYR 28 2HD TYR 28 1.824 10.357 -0.893 109 HE1 TYR 28 1HE TYR 28 -2.682 10.705 -2.834 110 HE2 TYR 28 2HE TYR 28 1.557 10.770 -3.301 111 HH TYR 28 HH TYR 28 -0.501 10.201 -5.050 112 H LYS 29 H LYS 29 1.966 9.816 3.090 113 HA LYS 29 HA LYS 29 0.670 8.361 5.293 114 1HB LYS 29 2HB LYS 29 3.094 7.653 4.573 115 2HB LYS 29 1HB LYS 29 3.567 9.101 5.443 116 1HG LYS 29 2HG LYS 29 3.644 6.915 6.717 117 2HG LYS 29 1HG LYS 29 2.811 8.263 7.492 118 1HD LYS 29 2HD LYS 29 1.137 6.505 5.815 119 2HD LYS 29 1HD LYS 29 1.782 5.782 7.292 120 1HE LYS 29 2HE LYS 29 0.415 6.974 8.593 121 2HE LYS 29 1HE LYS 29 0.745 8.463 7.713 122 1HZ LYS 29 1HZ LYS 29 -0.782 7.259 5.943 123 2HZ LYS 29 2HZ LYS 29 -1.431 8.198 7.192 124 3HZ LYS 29 3HZ LYS 29 -1.396 6.514 7.333 125 H ASP 30 H ASP 30 -0.254 9.674 6.694 126 HA ASP 30 HA ASP 30 0.239 12.498 6.659 127 1HB ASP 30 2HB ASP 30 -1.927 11.019 7.308 128 2HB ASP 30 1HB ASP 30 -1.280 11.320 8.917 129 H SER 31 H SER 31 1.608 13.630 7.877 130 HA SER 31 HA SER 31 3.690 12.610 9.297 131 1HB SER 31 2HB SER 31 2.928 15.113 8.647 132 2HB SER 31 1HB SER 31 2.610 15.146 10.383 133 HG SER 31 HG SER 31 4.985 15.166 9.050 134 H GLY 32 H GLY 32 0.428 13.076 10.450 135 1HA GLY 32 2HA GLY 32 1.176 12.640 13.222 136 2HA GLY 32 1HA GLY 32 -0.450 12.884 12.605 137 H MET 33 H MET 33 -0.401 10.828 10.631 138 HA MET 33 HA MET 33 -0.931 8.571 12.355 139 1HB MET 33 2HB MET 33 -1.405 9.199 9.467 140 2HB MET 33 1HB MET 33 -1.496 7.530 10.014 141 1HG MET 33 2HG MET 33 -3.643 8.010 10.389 142 2HG MET 33 1HG MET 33 -3.037 8.753 11.867 143 1HE MET 33 1HE MET 33 -3.855 10.788 12.594 144 2HE MET 33 2HE MET 33 -4.029 12.273 11.660 145 3HE MET 33 3HE MET 33 -2.431 11.569 11.905 146 H GLU 34 H GLU 34 0.046 6.547 12.256 147 HA GLU 34 HA GLU 34 2.737 6.557 11.100 148 1HB GLU 34 2HB GLU 34 2.342 6.138 13.598 149 2HB GLU 34 1HB GLU 34 1.698 4.576 13.111 150 1HG GLU 34 2HG GLU 34 3.872 4.043 13.583 151 2HG GLU 34 1HG GLU 34 3.961 4.346 11.848 152 H ASP 35 H ASP 35 -0.269 4.850 11.169 153 HA ASP 35 HA ASP 35 0.688 2.691 9.488 154 1HB ASP 35 2HB ASP 35 -1.610 3.163 11.177 155 2HB ASP 35 1HB ASP 35 -2.123 2.608 9.587 156 H PHE 36 H PHE 36 -0.139 2.257 7.369 157 HA PHE 36 HA PHE 36 -0.657 4.712 5.893 158 1HB PHE 36 2HB PHE 36 0.608 2.169 5.317 159 2HB PHE 36 1HB PHE 36 -0.547 2.609 4.063 160 HD1 PHE 36 1HD PHE 36 -0.287 4.735 2.837 161 HD2 PHE 36 2HD PHE 36 2.650 3.340 5.581 162 HE1 PHE 36 1HE PHE 36 1.352 6.294 1.872 163 HE2 PHE 36 2HE PHE 36 4.295 4.896 4.619 164 HZ PHE 36 HZ PHE 36 3.646 6.378 2.763 165 H GLY 37 H GLY 37 -2.694 3.034 7.541 166 1HA GLY 37 2HA GLY 37 -5.004 2.996 7.379 167 2HA GLY 37 1HA GLY 37 -4.866 3.514 5.707 168 H PHE 38 H PHE 38 -3.075 0.718 6.751 169 HA PHE 38 HA PHE 38 -5.043 -1.228 6.300 170 1HB PHE 38 2HB PHE 38 -4.772 -1.914 4.099 171 2HB PHE 38 1HB PHE 38 -4.720 -0.164 3.964 172 HD1 PHE 38 1HD PHE 38 -2.801 -3.261 3.726 173 HD2 PHE 38 2HD PHE 38 -2.667 0.977 3.346 174 HE1 PHE 38 1HE PHE 38 -0.675 -3.441 2.504 175 HE2 PHE 38 2HE PHE 38 -0.536 0.801 2.127 176 HZ PHE 38 HZ PHE 38 0.455 -1.415 1.692 177 H SER 39 H SER 39 -4.368 -2.894 7.440 178 HA SER 39 HA SER 39 -1.514 -3.253 7.918 179 1HB SER 39 2HB SER 39 -3.898 -4.658 9.155 180 2HB SER 39 1HB SER 39 -2.219 -4.822 9.675 181 HG SER 39 HG SER 39 -3.692 -3.236 10.793 182 H VAL 40 H VAL 40 -0.488 -5.317 7.688 183 HA VAL 40 HA VAL 40 -1.705 -6.941 5.559 184 HB VAL 40 HB VAL 40 0.530 -7.557 4.854 185 1HG1 VAL 40 1HG1 VAL 40 -0.336 -4.747 4.987 186 2HG1 VAL 40 2HG1 VAL 40 0.048 -5.754 3.591 187 3HG1 VAL 40 3HG1 VAL 40 1.345 -5.014 4.528 188 1HG2 VAL 40 1HG2 VAL 40 2.015 -7.603 6.565 189 2HG2 VAL 40 2HG2 VAL 40 1.285 -6.221 7.378 190 3HG2 VAL 40 3HG2 VAL 40 2.361 -5.967 6.003 191 H ALA 41 H ALA 41 -0.784 -9.234 5.496 192 HA ALA 41 HA ALA 41 -0.381 -10.342 8.180 193 1HB ALA 41 1HB ALA 41 -2.590 -10.857 8.150 194 2HB ALA 41 2HB ALA 41 -2.007 -12.230 7.211 195 3HB ALA 41 3HB ALA 41 -2.688 -10.825 6.390 196 H ASP 42 H ASP 42 0.297 -12.656 8.094 197 HA ASP 42 HA ASP 42 2.396 -12.978 6.186 198 1HB ASP 42 2HB ASP 42 2.488 -13.781 8.562 199 2HB ASP 42 1HB ASP 42 1.331 -15.035 8.130 200 H GLY 43 H GLY 43 2.667 -14.750 4.716 201 1HA GLY 43 2HA GLY 43 0.120 -15.938 3.807 202 2HA GLY 43 1HA GLY 43 1.256 -15.227 2.671 203 H LEU 44 H LEU 44 0.293 -18.048 4.221 204 HA LEU 44 HA LEU 44 2.862 -19.380 3.870 205 1HB LEU 44 2HB LEU 44 0.259 -20.411 4.990 206 2HB LEU 44 1HB LEU 44 1.761 -21.315 4.935 207 HG LEU 44 HG LEU 44 1.486 -18.714 6.430 208 1HD1 LEU 44 1HD1 LEU 44 1.001 -19.877 8.406 209 2HD1 LEU 44 2HD1 LEU 44 1.355 -21.443 7.674 210 3HD1 LEU 44 3HD1 LEU 44 -0.093 -20.554 7.201 211 1HD2 LEU 44 1HD2 LEU 44 3.408 -20.829 7.179 212 2HD2 LEU 44 2HD2 LEU 44 3.586 -19.075 7.194 213 3HD2 LEU 44 3HD2 LEU 44 3.730 -19.963 5.676 214 H LEU 45 H LEU 45 -0.211 -19.084 2.371 215 HA LEU 45 HA LEU 45 0.098 -21.432 0.717 216 1HB LEU 45 2HB LEU 45 -2.122 -20.661 1.489 217 2HB LEU 45 1HB LEU 45 -1.926 -19.203 0.537 218 HG LEU 45 HG LEU 45 -1.951 -20.482 -1.520 219 1HD1 LEU 45 1HD1 LEU 45 -2.358 -22.897 -1.504 220 2HD1 LEU 45 2HD1 LEU 45 -2.213 -22.906 0.254 221 3HD1 LEU 45 3HD1 LEU 45 -0.820 -22.486 -0.744 222 1HD2 LEU 45 1HD2 LEU 45 -4.122 -19.962 -1.155 223 2HD2 LEU 45 2HD2 LEU 45 -4.147 -20.707 0.443 224 3HD2 LEU 45 3HD2 LEU 45 -4.268 -21.712 -1.000 225 H GLU 46 H GLU 46 1.386 -18.363 0.654 226 HA GLU 46 HA GLU 46 2.245 -18.701 -2.090 227 1HB GLU 46 2HB GLU 46 1.138 -16.003 -1.442 228 2HB GLU 46 1HB GLU 46 1.351 -16.775 -3.006 229 1HG GLU 46 2HG GLU 46 -0.526 -18.295 -2.459 230 2HG GLU 46 1HG GLU 46 -0.772 -17.391 -0.965 231 H LYS 47 H LYS 47 3.405 -18.652 0.625 232 HA LYS 47 HA LYS 47 4.964 -17.485 1.914 233 1HB LYS 47 2HB LYS 47 5.997 -18.499 -0.637 234 2HB LYS 47 1HB LYS 47 7.050 -17.333 0.154 235 1HG LYS 47 2HG LYS 47 5.930 -19.716 1.591 236 2HG LYS 47 1HG LYS 47 7.442 -19.776 0.683 237 1HD LYS 47 2HD LYS 47 8.425 -19.106 2.577 238 2HD LYS 47 1HD LYS 47 7.740 -17.518 2.225 239 1HE LYS 47 2HE LYS 47 5.650 -18.848 3.429 240 2HE LYS 47 1HE LYS 47 7.058 -19.431 4.315 241 1HZ LYS 47 1HZ LYS 47 6.292 -17.500 5.411 242 2HZ LYS 47 2HZ LYS 47 6.183 -16.620 3.969 243 3HZ LYS 47 3HZ LYS 47 7.699 -17.045 4.589 244 H GLY 48 H GLY 48 3.851 -15.415 2.055 245 1HA GLY 48 2HA GLY 48 5.530 -13.256 1.360 246 2HA GLY 48 1HA GLY 48 4.169 -13.307 0.249 247 H VAL 49 H VAL 49 3.396 -11.311 1.014 248 HA VAL 49 HA VAL 49 1.849 -11.553 3.479 249 HB VAL 49 HB VAL 49 3.557 -9.123 2.943 250 1HG1 VAL 49 1HG1 VAL 49 2.551 -8.136 4.688 251 2HG1 VAL 49 2HG1 VAL 49 2.505 -9.627 5.630 252 3HG1 VAL 49 3HG1 VAL 49 1.271 -9.315 4.410 253 1HG2 VAL 49 1HG2 VAL 49 5.182 -10.612 3.572 254 2HG2 VAL 49 2HG2 VAL 49 4.072 -11.585 4.537 255 3HG2 VAL 49 3HG2 VAL 49 4.649 -10.036 5.151 256 H TYR 50 H TYR 50 -0.094 -10.545 3.408 257 HA TYR 50 HA TYR 50 -0.647 -8.767 1.132 258 1HB TYR 50 2HB TYR 50 -2.957 -10.369 1.921 259 2HB TYR 50 1HB TYR 50 -2.303 -10.054 0.318 260 HD1 TYR 50 1HD TYR 50 0.182 -11.314 0.115 261 HD2 TYR 50 2HD TYR 50 -3.185 -12.605 2.370 262 HE1 TYR 50 1HE TYR 50 0.996 -13.629 -0.009 263 HE2 TYR 50 2HE TYR 50 -2.380 -14.922 2.257 264 HH TYR 50 HH TYR 50 -0.902 -16.288 0.750 265 H VAL 51 H VAL 51 -2.928 -7.724 1.500 266 HA VAL 51 HA VAL 51 -2.753 -6.353 4.019 267 HB VAL 51 HB VAL 51 -4.813 -6.086 1.829 268 1HG1 VAL 51 1HG1 VAL 51 -5.932 -4.896 3.358 269 2HG1 VAL 51 2HG1 VAL 51 -4.665 -3.685 3.165 270 3HG1 VAL 51 3HG1 VAL 51 -4.559 -4.870 4.465 271 1HG2 VAL 51 1HG2 VAL 51 -2.685 -5.526 0.935 272 2HG2 VAL 51 2HG2 VAL 51 -2.239 -4.632 2.385 273 3HG2 VAL 51 3HG2 VAL 51 -3.489 -4.002 1.311 274 H LYS 52 H LYS 52 -3.727 -6.893 5.827 275 HA LYS 52 HA LYS 52 -5.748 -8.971 5.824 276 1HB LYS 52 2HB LYS 52 -4.034 -9.280 7.441 277 2HB LYS 52 1HB LYS 52 -4.149 -7.615 7.987 278 1HG LYS 52 2HG LYS 52 -5.254 -8.592 9.690 279 2HG LYS 52 1HG LYS 52 -6.620 -8.411 8.590 280 1HD LYS 52 2HD LYS 52 -4.914 -10.883 8.874 281 2HD LYS 52 1HD LYS 52 -6.523 -10.663 9.565 282 1HE LYS 52 2HE LYS 52 -6.987 -10.050 6.965 283 2HE LYS 52 1HE LYS 52 -5.709 -11.253 6.800 284 1HZ LYS 52 1HZ LYS 52 -7.484 -12.630 6.868 285 2HZ LYS 52 2HZ LYS 52 -8.440 -11.565 7.771 286 3HZ LYS 52 3HZ LYS 52 -7.251 -12.492 8.539 287 H ASN 53 H ASN 53 -5.447 -5.567 6.353 288 HA ASN 53 HA ASN 53 -8.316 -5.266 6.325 289 1HB ASN 53 2HB ASN 53 -6.706 -4.781 8.805 290 2HB ASN 53 1HB ASN 53 -8.113 -3.776 8.471 291 1HD2 ASN 53 1HD2 ASN 53 -6.985 -6.750 9.633 292 2HD2 ASN 53 2HD2 ASN 53 -8.526 -7.500 9.908 293 H ILE 54 H ILE 54 -9.007 -3.080 6.057 294 HA ILE 54 HA ILE 54 -6.900 -1.132 5.463 295 HB ILE 54 HB ILE 54 -9.177 -1.834 3.610 296 1HG1 ILE 54 2HG1 ILE 54 -6.557 -2.892 3.845 297 2HG1 ILE 54 1HG1 ILE 54 -7.749 -3.221 2.592 298 1HG2 ILE 54 1HG2 ILE 54 -7.137 0.378 3.466 299 2HG2 ILE 54 2HG2 ILE 54 -8.893 0.532 3.548 300 3HG2 ILE 54 3HG2 ILE 54 -8.132 -0.129 2.100 301 1HD1 ILE 54 1HD1 ILE 54 -5.838 -0.903 2.476 302 2HD1 ILE 54 2HD1 ILE 54 -6.845 -1.551 1.180 303 3HD1 ILE 54 3HD1 ILE 54 -5.487 -2.492 1.797 304 H ARG 55 H ARG 55 -7.358 0.849 6.224 305 HA ARG 55 HA ARG 55 -9.624 1.306 7.829 306 1HB ARG 55 2HB ARG 55 -7.386 2.435 8.047 307 2HB ARG 55 1HB ARG 55 -7.810 3.409 6.645 308 1HG ARG 55 2HG ARG 55 -9.970 3.643 8.409 309 2HG ARG 55 1HG ARG 55 -8.517 3.773 9.401 310 1HD ARG 55 2HD ARG 55 -7.878 5.328 7.250 311 2HD ARG 55 1HD ARG 55 -9.611 5.613 7.402 312 HE ARG 55 HE ARG 55 -7.548 6.518 9.172 313 1HH1 ARG 55 1HH1 ARG 55 -10.920 5.640 8.964 314 2HH1 ARG 55 2HH1 ARG 55 -11.383 6.605 10.325 315 1HH2 ARG 55 1HH2 ARG 55 -8.157 7.789 10.962 316 2HH2 ARG 55 2HH2 ARG 55 -9.816 7.825 11.458 317 HA PRO 56 HA PRO 56 -12.664 2.247 4.701 318 1HB PRO 56 2HB PRO 56 -13.918 3.782 6.915 319 2HB PRO 56 1HB PRO 56 -14.607 2.520 5.886 320 1HG PRO 56 2HG PRO 56 -13.952 2.007 8.418 321 2HG PRO 56 1HG PRO 56 -13.684 0.805 7.141 322 1HD PRO 56 2HD PRO 56 -11.718 2.600 8.501 323 2HD PRO 56 1HD PRO 56 -11.531 0.916 7.971 324 H ALA 57 H ALA 57 -12.961 3.884 3.298 325 HA ALA 57 HA ALA 57 -12.367 5.821 2.210 326 1HB ALA 57 1HB ALA 57 -14.340 6.721 2.879 327 2HB ALA 57 2HB ALA 57 -13.250 7.844 3.691 328 3HB ALA 57 3HB ALA 57 -13.981 6.518 4.594 329 H GLY 58 H GLY 58 -10.191 4.785 3.810 330 1HA GLY 58 2HA GLY 58 -8.904 7.278 4.716 331 2HA GLY 58 1HA GLY 58 -8.439 5.663 5.228 332 HA PRO 59 HA PRO 59 -5.391 7.105 2.001 333 1HB PRO 59 2HB PRO 59 -3.712 5.278 3.629 334 2HB PRO 59 1HB PRO 59 -3.351 6.896 3.021 335 1HG PRO 59 2HG PRO 59 -3.890 6.492 5.602 336 2HG PRO 59 1HG PRO 59 -4.468 7.941 4.762 337 1HD PRO 59 2HD PRO 59 -5.968 5.472 5.532 338 2HD PRO 59 1HD PRO 59 -6.495 7.168 5.560 339 H GLY 60 H GLY 60 -5.784 3.868 3.434 340 1HA GLY 60 2HA GLY 60 -4.786 2.438 1.210 341 2HA GLY 60 1HA GLY 60 -5.793 1.776 2.488 342 H ASP 61 H ASP 61 -8.114 3.262 2.157 343 HA ASP 61 HA ASP 61 -9.279 1.921 -0.077 344 1HB ASP 61 2HB ASP 61 -10.237 3.602 2.165 345 2HB ASP 61 1HB ASP 61 -11.226 3.628 0.708 346 H LEU 62 H LEU 62 -8.160 5.154 0.604 347 HA LEU 62 HA LEU 62 -9.379 6.434 -1.598 348 1HB LEU 62 2HB LEU 62 -7.067 7.102 0.188 349 2HB LEU 62 1HB LEU 62 -7.430 8.102 -1.206 350 HG LEU 62 HG LEU 62 -9.405 7.519 0.999 351 1HD1 LEU 62 1HD1 LEU 62 -8.948 9.915 1.628 352 2HD1 LEU 62 2HD1 LEU 62 -7.512 9.822 0.607 353 3HD1 LEU 62 3HD1 LEU 62 -7.666 8.764 2.011 354 1HD2 LEU 62 1HD2 LEU 62 -10.266 9.771 -0.121 355 2HD2 LEU 62 2HD2 LEU 62 -10.747 8.180 -0.711 356 3HD2 LEU 62 3HD2 LEU 62 -9.460 9.072 -1.525 357 H GLY 63 H GLY 63 -6.438 4.601 -1.203 358 1HA GLY 63 2HA GLY 63 -5.341 5.399 -3.755 359 2HA GLY 63 1HA GLY 63 -4.691 4.176 -2.674 360 H GLY 64 H GLY 64 -7.045 2.589 -2.451 361 1HA GLY 64 2HA GLY 64 -8.571 1.471 -4.032 362 2HA GLY 64 1HA GLY 64 -7.285 1.587 -5.223 363 H LEU 65 H LEU 65 -6.733 0.730 -1.870 364 HA LEU 65 HA LEU 65 -5.526 -1.763 -2.701 365 1HB LEU 65 2HB LEU 65 -5.805 -0.397 -0.030 366 2HB LEU 65 1HB LEU 65 -5.062 -1.974 -0.216 367 HG LEU 65 HG LEU 65 -4.046 0.390 -1.760 368 1HD1 LEU 65 1HD1 LEU 65 -3.497 1.385 0.157 369 2HD1 LEU 65 2HD1 LEU 65 -2.317 0.092 0.357 370 3HD1 LEU 65 3HD1 LEU 65 -3.903 -0.038 1.115 371 1HD2 LEU 65 1HD2 LEU 65 -3.340 -1.911 -2.367 372 2HD2 LEU 65 2HD2 LEU 65 -2.676 -2.096 -0.744 373 3HD2 LEU 65 3HD2 LEU 65 -2.008 -0.884 -1.839 374 H LYS 66 H LYS 66 -6.536 -3.654 -2.768 375 HA LYS 66 HA LYS 66 -9.025 -3.973 -1.225 376 1HB LYS 66 2HB LYS 66 -8.272 -5.511 -3.708 377 2HB LYS 66 1HB LYS 66 -9.842 -5.449 -2.919 378 1HG LYS 66 2HG LYS 66 -8.625 -2.948 -3.997 379 2HG LYS 66 1HG LYS 66 -9.423 -4.086 -5.084 380 1HD LYS 66 2HD LYS 66 -11.407 -3.974 -3.500 381 2HD LYS 66 1HD LYS 66 -10.604 -2.592 -2.755 382 1HE LYS 66 2HE LYS 66 -11.821 -1.443 -4.275 383 2HE LYS 66 1HE LYS 66 -10.463 -1.847 -5.323 384 1HZ LYS 66 1HZ LYS 66 -11.979 -2.754 -6.652 385 2HZ LYS 66 2HZ LYS 66 -13.190 -2.700 -5.473 386 3HZ LYS 66 3HZ LYS 66 -12.116 -4.006 -5.521 387 HA PRO 67 HA PRO 67 -7.238 -7.030 1.428 388 1HB PRO 67 2HB PRO 67 -9.669 -8.569 0.583 389 2HB PRO 67 1HB PRO 67 -8.983 -8.354 2.199 390 1HG PRO 67 2HG PRO 67 -11.095 -6.928 1.411 391 2HG PRO 67 1HG PRO 67 -9.829 -6.211 2.422 392 1HD PRO 67 2HD PRO 67 -10.441 -5.756 -0.438 393 2HD PRO 67 1HD PRO 67 -9.631 -4.692 0.729 394 H TYR 68 H TYR 68 -5.859 -8.680 1.184 395 HA TYR 68 HA TYR 68 -4.911 -10.608 0.367 396 1HB TYR 68 2HB TYR 68 -6.739 -10.376 -2.032 397 2HB TYR 68 1HB TYR 68 -5.722 -11.748 -1.612 398 HD1 TYR 68 1HD TYR 68 -8.981 -10.523 -1.487 399 HD2 TYR 68 2HD TYR 68 -6.158 -12.676 0.858 400 HE1 TYR 68 1HE TYR 68 -10.818 -11.489 -0.172 401 HE2 TYR 68 2HE TYR 68 -7.988 -13.650 2.178 402 HH TYR 68 HH TYR 68 -10.353 -14.097 1.999 403 H ASP 69 H ASP 69 -5.106 -7.593 -1.132 404 HA ASP 69 HA ASP 69 -3.460 -7.851 -3.353 405 1HB ASP 69 2HB ASP 69 -2.852 -5.420 -2.873 406 2HB ASP 69 1HB ASP 69 -4.562 -5.777 -3.083 407 H ARG 70 H ARG 70 -1.876 -9.366 -2.835 408 HA ARG 70 HA ARG 70 -0.033 -9.094 -0.715 409 1HB ARG 70 2HB ARG 70 -0.413 -11.226 -1.752 410 2HB ARG 70 1HB ARG 70 0.076 -10.607 -3.321 411 1HG ARG 70 2HG ARG 70 2.269 -10.134 -1.682 412 2HG ARG 70 1HG ARG 70 1.680 -11.722 -1.193 413 1HD ARG 70 2HD ARG 70 2.284 -10.885 -4.025 414 2HD ARG 70 1HD ARG 70 3.352 -11.845 -3.002 415 HE ARG 70 HE ARG 70 1.159 -13.334 -2.953 416 1HH1 ARG 70 1HH1 ARG 70 2.723 -11.763 -5.655 417 2HH1 ARG 70 2HH1 ARG 70 2.199 -12.949 -6.803 418 1HH2 ARG 70 1HH2 ARG 70 0.473 -14.888 -4.465 419 2HH2 ARG 70 2HH2 ARG 70 0.922 -14.719 -6.128 420 H LEU 71 H LEU 71 1.492 -7.596 -0.492 421 HA LEU 71 HA LEU 71 2.259 -5.858 -2.617 422 1HB LEU 71 2HB LEU 71 3.536 -6.206 0.094 423 2HB LEU 71 1HB LEU 71 3.760 -4.845 -0.988 424 HG LEU 71 HG LEU 71 0.961 -5.149 -0.489 425 1HD1 LEU 71 1HD1 LEU 71 0.707 -5.321 1.744 426 2HD1 LEU 71 2HD1 LEU 71 2.242 -4.524 2.090 427 3HD1 LEU 71 3HD1 LEU 71 2.218 -6.225 1.625 428 1HD2 LEU 71 1HD2 LEU 71 2.547 -3.126 -1.042 429 2HD2 LEU 71 2HD2 LEU 71 2.609 -2.981 0.714 430 3HD2 LEU 71 3HD2 LEU 71 1.060 -2.890 -0.124 431 H LEU 72 H LEU 72 3.563 -6.455 -4.215 432 HA LEU 72 HA LEU 72 5.527 -8.545 -3.839 433 1HB LEU 72 2HB LEU 72 4.884 -6.883 -6.271 434 2HB LEU 72 1HB LEU 72 5.954 -8.273 -6.243 435 HG LEU 72 HG LEU 72 3.758 -9.443 -5.271 436 1HD1 LEU 72 1HD1 LEU 72 2.332 -7.554 -5.266 437 2HD1 LEU 72 2HD1 LEU 72 1.820 -8.578 -6.605 438 3HD1 LEU 72 3HD1 LEU 72 2.775 -7.129 -6.915 439 1HD2 LEU 72 1HD2 LEU 72 3.262 -9.565 -7.977 440 2HD2 LEU 72 2HD2 LEU 72 4.379 -10.592 -7.080 441 3HD2 LEU 72 3HD2 LEU 72 4.974 -9.148 -7.898 442 H GLN 73 H GLN 73 5.762 -5.311 -5.317 443 HA GLN 73 HA GLN 73 8.456 -5.087 -4.139 444 1HB GLN 73 2HB GLN 73 7.471 -3.687 -6.625 445 2HB GLN 73 1HB GLN 73 9.124 -3.767 -6.027 446 1HG GLN 73 2HG GLN 73 9.286 -6.081 -6.553 447 2HG GLN 73 1HG GLN 73 7.563 -6.177 -6.912 448 1HE2 GLN 73 1HE2 GLN 73 9.918 -3.724 -7.859 449 2HE2 GLN 73 2HE2 GLN 73 9.747 -3.963 -9.567 450 H VAL 74 H VAL 74 8.403 -3.783 -2.436 451 HA VAL 74 HA VAL 74 6.608 -1.462 -2.472 452 HB VAL 74 HB VAL 74 8.093 -2.646 -0.122 453 1HG1 VAL 74 1HG1 VAL 74 5.896 -0.580 -0.227 454 2HG1 VAL 74 2HG1 VAL 74 7.593 -0.265 0.129 455 3HG1 VAL 74 3HG1 VAL 74 6.627 -1.241 1.234 456 1HG2 VAL 74 1HG2 VAL 74 6.550 -4.263 -0.247 457 2HG2 VAL 74 2HG2 VAL 74 5.569 -3.364 -1.402 458 3HG2 VAL 74 3HG2 VAL 74 5.415 -3.040 0.324 459 H ASN 75 H ASN 75 7.353 0.609 -2.163 460 HA ASN 75 HA ASN 75 8.803 2.334 -2.532 461 1HB ASN 75 2HB ASN 75 9.413 1.071 -0.135 462 2HB ASN 75 1HB ASN 75 10.979 1.267 -0.914 463 1HD2 ASN 75 1HD2 ASN 75 8.039 3.248 -0.839 464 2HD2 ASN 75 2HD2 ASN 75 8.818 4.685 -0.264 465 H HIS 76 H HIS 76 9.044 0.060 -4.364 466 HA HIS 76 HA HIS 76 10.271 -0.224 -6.285 467 1HB HIS 76 2HB HIS 76 11.482 2.030 -5.329 468 2HB HIS 76 1HB HIS 76 12.820 0.887 -5.326 469 HD1 HIS 76 1HD HIS 76 12.295 -0.657 -7.890 470 HD2 HIS 76 2HD HIS 76 11.903 3.468 -7.585 471 HE1 HIS 76 1HE HIS 76 12.541 0.216 -10.235 472 HE2 HIS 76 2HE HIS 76 12.217 2.707 -10.037 473 H VAL 77 H VAL 77 11.294 -1.082 -3.127 474 HA VAL 77 HA VAL 77 13.319 -2.950 -4.002 475 HB VAL 77 HB VAL 77 12.072 -2.660 -1.265 476 1HG1 VAL 77 1HG1 VAL 77 13.146 -4.633 -1.017 477 2HG1 VAL 77 2HG1 VAL 77 14.555 -3.590 -0.824 478 3HG1 VAL 77 3HG1 VAL 77 14.222 -4.344 -2.384 479 1HG2 VAL 77 1HG2 VAL 77 14.175 -1.125 -2.664 480 2HG2 VAL 77 2HG2 VAL 77 14.499 -1.563 -0.986 481 3HG2 VAL 77 3HG2 VAL 77 13.060 -0.626 -1.390 482 H ARG 78 H ARG 78 13.098 -5.106 -4.281 483 HA ARG 78 HA ARG 78 10.498 -6.197 -4.647 484 1HB ARG 78 2HB ARG 78 13.280 -7.328 -4.731 485 2HB ARG 78 1HB ARG 78 11.882 -8.390 -4.832 486 1HG ARG 78 2HG ARG 78 12.206 -8.047 -7.044 487 2HG ARG 78 1HG ARG 78 11.188 -6.645 -6.714 488 1HD ARG 78 2HD ARG 78 13.590 -5.595 -6.148 489 2HD ARG 78 1HD ARG 78 14.072 -6.796 -7.344 490 HE ARG 78 HE ARG 78 11.863 -5.331 -8.301 491 1HH1 ARG 78 1HH1 ARG 78 15.275 -4.975 -7.665 492 2HH1 ARG 78 2HH1 ARG 78 15.504 -3.762 -8.879 493 1HH2 ARG 78 1HH2 ARG 78 12.159 -3.733 -9.897 494 2HH2 ARG 78 2HH2 ARG 78 13.734 -3.056 -10.146 495 H THR 79 H THR 79 9.182 -6.843 -3.077 496 HA THR 79 HA THR 79 10.296 -8.313 -0.806 497 HB THR 79 HB THR 79 9.061 -7.017 0.812 498 HG1 THR 79 1HG THR 79 7.268 -6.393 -0.304 499 1HG2 THR 79 1HG2 THR 79 10.546 -5.373 0.972 500 2HG2 THR 79 2HG2 THR 79 10.072 -4.678 -0.578 501 3HG2 THR 79 3HG2 THR 79 11.232 -6.005 -0.523 502 H ARG 80 H ARG 80 8.900 -9.311 -3.045 503 HA ARG 80 HA ARG 80 6.131 -9.668 -2.486 504 1HB ARG 80 2HB ARG 80 7.660 -10.079 -4.670 505 2HB ARG 80 1HB ARG 80 7.545 -11.728 -4.072 506 1HG ARG 80 2HG ARG 80 4.969 -10.430 -4.041 507 2HG ARG 80 1HG ARG 80 5.699 -10.375 -5.646 508 1HD ARG 80 2HD ARG 80 5.917 -12.962 -4.267 509 2HD ARG 80 1HD ARG 80 4.274 -12.470 -4.668 510 HE ARG 80 HE ARG 80 4.826 -12.538 -6.951 511 1HH1 ARG 80 1HH1 ARG 80 7.516 -13.493 -4.927 512 2HH1 ARG 80 2HH1 ARG 80 8.383 -14.237 -6.226 513 1HH2 ARG 80 1HH2 ARG 80 5.973 -13.518 -8.650 514 2HH2 ARG 80 2HH2 ARG 80 7.510 -14.251 -8.335 515 H ASP 81 H ASP 81 9.008 -11.690 -1.993 516 HA ASP 81 HA ASP 81 7.426 -13.620 -0.480 517 1HB ASP 81 2HB ASP 81 9.394 -14.048 -2.250 518 2HB ASP 81 1HB ASP 81 10.362 -13.960 -0.781 519 H PHE 82 H PHE 82 8.009 -10.906 0.564 520 HA PHE 82 HA PHE 82 9.935 -11.281 2.677 521 1HB PHE 82 2HB PHE 82 8.219 -9.063 1.700 522 2HB PHE 82 1HB PHE 82 8.660 -9.023 3.402 523 HD1 PHE 82 1HD PHE 82 10.843 -10.410 0.785 524 HD2 PHE 82 2HD PHE 82 9.995 -7.057 3.264 525 HE1 PHE 82 1HE PHE 82 13.015 -9.422 0.188 526 HE2 PHE 82 2HE PHE 82 12.165 -6.064 2.672 527 HZ PHE 82 HZ PHE 82 13.679 -7.243 1.128 528 H ASP 83 H ASP 83 9.100 -10.509 4.959 529 HA ASP 83 HA ASP 83 6.774 -12.198 5.592 530 1HB ASP 83 2HB ASP 83 9.183 -12.590 6.581 531 2HB ASP 83 1HB ASP 83 8.728 -11.284 7.671 532 H CYS 84 H CYS 84 5.375 -11.469 7.353 533 HA CYS 84 HA CYS 84 4.345 -8.938 6.978 534 1HB CYS 84 2HB CYS 84 3.292 -9.275 9.278 535 2HB CYS 84 1HB CYS 84 2.974 -10.521 8.077 536 HG CYS 84 HG CYS 84 4.840 -11.972 9.334 537 H CYS 85 H CYS 85 6.727 -10.023 9.351 538 HA CYS 85 HA CYS 85 6.927 -7.624 10.779 539 1HB CYS 85 2HB CYS 85 9.109 -9.670 10.362 540 2HB CYS 85 1HB CYS 85 8.988 -8.513 11.682 541 HG CYS 85 HG CYS 85 7.866 -11.220 11.769 542 H LEU 86 H LEU 86 8.097 -8.540 7.680 543 HA LEU 86 HA LEU 86 10.038 -6.356 7.608 544 1HB LEU 86 2HB LEU 86 9.520 -8.783 5.967 545 2HB LEU 86 1HB LEU 86 10.234 -7.399 5.161 546 HG LEU 86 HG LEU 86 12.012 -7.430 6.990 547 1HD1 LEU 86 1HD1 LEU 86 11.463 -10.299 7.392 548 2HD1 LEU 86 2HD1 LEU 86 10.399 -9.177 8.239 549 3HD1 LEU 86 3HD1 LEU 86 12.142 -9.104 8.497 550 1HD2 LEU 86 1HD2 LEU 86 12.276 -8.248 4.631 551 2HD2 LEU 86 2HD2 LEU 86 11.916 -9.868 5.225 552 3HD2 LEU 86 3HD2 LEU 86 13.342 -9.011 5.811 553 H VAL 87 H VAL 87 6.957 -7.336 6.268 554 HA VAL 87 HA VAL 87 6.847 -5.221 4.336 555 HB VAL 87 HB VAL 87 4.580 -6.929 5.368 556 1HG1 VAL 87 1HG1 VAL 87 3.264 -6.021 3.787 557 2HG1 VAL 87 2HG1 VAL 87 4.570 -5.931 2.605 558 3HG1 VAL 87 3HG1 VAL 87 4.415 -4.687 3.845 559 1HG2 VAL 87 1HG2 VAL 87 6.787 -7.483 3.487 560 2HG2 VAL 87 2HG2 VAL 87 5.178 -7.981 2.968 561 3HG2 VAL 87 3HG2 VAL 87 5.841 -8.587 4.485 562 H VAL 88 H VAL 88 5.635 -5.729 7.618 563 HA VAL 88 HA VAL 88 3.863 -3.578 7.719 564 HB VAL 88 HB VAL 88 5.508 -4.715 9.984 565 1HG1 VAL 88 1HG1 VAL 88 3.023 -3.647 10.849 566 2HG1 VAL 88 2HG1 VAL 88 3.860 -2.407 9.914 567 3HG1 VAL 88 3HG1 VAL 88 4.653 -3.150 11.303 568 1HG2 VAL 88 1HG2 VAL 88 3.982 -6.353 10.216 569 2HG2 VAL 88 2HG2 VAL 88 3.656 -6.026 8.514 570 3HG2 VAL 88 3HG2 VAL 88 2.637 -5.308 9.761 571 HA PRO 89 HA PRO 89 7.571 -0.868 9.285 572 1HB PRO 89 2HB PRO 89 9.940 -2.283 8.274 573 2HB PRO 89 1HB PRO 89 9.633 -1.623 9.884 574 1HG PRO 89 2HG PRO 89 9.690 -4.271 9.420 575 2HG PRO 89 1HG PRO 89 8.604 -3.550 10.622 576 1HD PRO 89 2HD PRO 89 8.001 -4.472 7.838 577 2HD PRO 89 1HD PRO 89 7.056 -4.692 9.319 578 H LEU 90 H LEU 90 8.195 -2.766 6.333 579 HA LEU 90 HA LEU 90 9.390 -0.806 4.788 580 1HB LEU 90 2HB LEU 90 7.659 -3.156 4.115 581 2HB LEU 90 1HB LEU 90 8.218 -2.077 2.851 582 HG LEU 90 HG LEU 90 10.125 -3.421 4.749 583 1HD1 LEU 90 1HD1 LEU 90 9.187 -4.435 2.070 584 2HD1 LEU 90 2HD1 LEU 90 8.801 -5.151 3.634 585 3HD1 LEU 90 3HD1 LEU 90 10.467 -5.135 3.059 586 1HD2 LEU 90 1HD2 LEU 90 10.827 -2.747 1.964 587 2HD2 LEU 90 2HD2 LEU 90 11.773 -2.598 3.445 588 3HD2 LEU 90 3HD2 LEU 90 10.555 -1.385 3.051 589 H ILE 91 H ILE 91 6.022 -1.332 5.543 590 HA ILE 91 HA ILE 91 5.026 0.582 3.645 591 HB ILE 91 HB ILE 91 3.662 -0.722 6.007 592 1HG1 ILE 91 2HG1 ILE 91 3.167 -1.432 3.141 593 2HG1 ILE 91 1HG1 ILE 91 4.581 -2.094 3.963 594 1HG2 ILE 91 1HG2 ILE 91 2.731 1.491 4.919 595 2HG2 ILE 91 2HG2 ILE 91 1.657 0.167 5.360 596 3HG2 ILE 91 3HG2 ILE 91 2.160 0.372 3.684 597 1HD1 ILE 91 1HD1 ILE 91 3.204 -3.171 5.590 598 2HD1 ILE 91 2HD1 ILE 91 2.593 -3.574 3.985 599 3HD1 ILE 91 3HD1 ILE 91 1.760 -2.371 4.968 600 H ALA 92 H ALA 92 5.552 0.524 7.146 601 HA ALA 92 HA ALA 92 4.644 3.206 7.498 602 1HB ALA 92 1HB ALA 92 6.197 1.913 9.640 603 2HB ALA 92 2HB ALA 92 4.710 1.106 9.142 604 3HB ALA 92 3HB ALA 92 4.660 2.774 9.711 605 H GLU 93 H GLU 93 7.488 2.032 6.265 606 HA GLU 93 HA GLU 93 9.099 4.163 7.489 607 1HB GLU 93 2HB GLU 93 11.057 2.969 6.656 608 2HB GLU 93 1HB GLU 93 10.045 1.919 7.640 609 1HG GLU 93 2HG GLU 93 10.225 0.462 5.981 610 2HG GLU 93 1HG GLU 93 9.074 1.484 5.121 611 H SER 94 H SER 94 7.154 3.995 4.931 612 HA SER 94 HA SER 94 8.762 4.788 2.761 613 1HB SER 94 2HB SER 94 5.958 4.508 3.298 614 2HB SER 94 1HB SER 94 6.244 6.043 2.482 615 HG SER 94 HG SER 94 6.992 5.009 0.746 616 H GLY 95 H GLY 95 7.289 6.506 5.378 617 1HA GLY 95 2HA GLY 95 8.190 8.514 6.277 618 2HA GLY 95 1HA GLY 95 8.902 8.861 4.710 619 H ASN 96 H ASN 96 6.633 8.518 3.093 620 HA ASN 96 HA ASN 96 4.432 10.044 4.069 621 1HB ASN 96 2HB ASN 96 6.666 11.449 2.759 622 2HB ASN 96 1HB ASN 96 5.076 11.825 2.104 623 1HD2 ASN 96 1HD2 ASN 96 7.295 12.434 4.553 624 2HD2 ASN 96 2HD2 ASN 96 6.275 13.383 5.585 625 H LYS 97 H LYS 97 6.232 8.788 1.309 626 HA LYS 97 HA LYS 97 3.657 8.310 -0.042 627 1HB LYS 97 2HB LYS 97 6.135 9.527 -1.029 628 2HB LYS 97 1HB LYS 97 5.526 8.241 -2.063 629 1HG LYS 97 2HG LYS 97 3.371 9.373 -2.215 630 2HG LYS 97 1HG LYS 97 3.971 10.657 -1.165 631 1HD LYS 97 2HD LYS 97 4.172 11.473 -3.375 632 2HD LYS 97 1HD LYS 97 5.801 11.021 -2.875 633 1HE LYS 97 2HE LYS 97 5.631 10.144 -5.023 634 2HE LYS 97 1HE LYS 97 5.290 8.759 -3.986 635 1HZ LYS 97 1HZ LYS 97 2.879 9.313 -4.303 636 2HZ LYS 97 2HZ LYS 97 3.676 8.755 -5.686 637 3HZ LYS 97 3HZ LYS 97 3.350 10.404 -5.507 638 H LEU 98 H LEU 98 3.210 6.251 -0.590 639 HA LEU 98 HA LEU 98 5.400 4.287 -0.382 640 1HB LEU 98 2HB LEU 98 3.027 4.434 1.122 641 2HB LEU 98 1HB LEU 98 2.806 3.098 0.018 642 HG LEU 98 HG LEU 98 4.928 3.416 2.133 643 1HD1 LEU 98 1HD1 LEU 98 3.759 0.889 2.184 644 2HD1 LEU 98 2HD1 LEU 98 2.427 2.007 1.891 645 3HD1 LEU 98 3HD1 LEU 98 3.469 2.226 3.295 646 1HD2 LEU 98 1HD2 LEU 98 6.151 2.582 0.289 647 2HD2 LEU 98 2HD2 LEU 98 4.833 1.520 -0.203 648 3HD2 LEU 98 3HD2 LEU 98 5.740 1.176 1.269 649 H ASP 99 H ASP 99 5.888 4.031 -2.516 650 HA ASP 99 HA ASP 99 3.715 3.429 -4.389 651 1HB ASP 99 2HB ASP 99 5.640 5.065 -4.919 652 2HB ASP 99 1HB ASP 99 6.643 3.627 -5.086 653 H LEU 100 H LEU 100 3.170 1.353 -4.666 654 HA LEU 100 HA LEU 100 5.270 -0.667 -4.747 655 1HB LEU 100 2HB LEU 100 3.915 -2.113 -3.160 656 2HB LEU 100 1HB LEU 100 4.825 -0.790 -2.454 657 HG LEU 100 HG LEU 100 2.547 0.504 -2.699 658 1HD1 LEU 100 1HD1 LEU 100 0.685 -0.673 -3.064 659 2HD1 LEU 100 2HD1 LEU 100 1.216 -2.006 -2.038 660 3HD1 LEU 100 3HD1 LEU 100 1.754 -1.915 -3.715 661 1HD2 LEU 100 1HD2 LEU 100 1.921 -0.796 -0.435 662 2HD2 LEU 100 2HD2 LEU 100 3.202 0.411 -0.541 663 3HD2 LEU 100 3HD2 LEU 100 3.598 -1.306 -0.619 664 H VAL 101 H VAL 101 4.501 -2.788 -5.404 665 HA VAL 101 HA VAL 101 2.120 -2.629 -7.140 666 HB VAL 101 HB VAL 101 4.508 -4.441 -7.514 667 1HG1 VAL 101 1HG1 VAL 101 3.194 -5.491 -8.961 668 2HG1 VAL 101 2HG1 VAL 101 3.127 -4.012 -9.920 669 3HG1 VAL 101 3HG1 VAL 101 1.897 -4.327 -8.696 670 1HG2 VAL 101 1HG2 VAL 101 4.656 -2.740 -9.595 671 2HG2 VAL 101 2HG2 VAL 101 5.551 -2.522 -8.091 672 3HG2 VAL 101 3HG2 VAL 101 4.038 -1.652 -8.352 673 H ILE 102 H ILE 102 0.497 -3.649 -6.134 674 HA ILE 102 HA ILE 102 1.104 -6.058 -4.563 675 HB ILE 102 HB ILE 102 -1.106 -5.770 -3.552 676 1HG1 ILE 102 2HG1 ILE 102 -2.137 -3.393 -4.081 677 2HG1 ILE 102 1HG1 ILE 102 -1.303 -3.615 -5.614 678 1HG2 ILE 102 1HG2 ILE 102 -0.293 -3.063 -3.067 679 2HG2 ILE 102 2HG2 ILE 102 1.128 -4.100 -3.188 680 3HG2 ILE 102 3HG2 ILE 102 -0.141 -4.477 -2.024 681 1HD1 ILE 102 1HD1 ILE 102 -2.956 -4.875 -6.344 682 2HD1 ILE 102 2HD1 ILE 102 -3.807 -4.631 -4.817 683 3HD1 ILE 102 3HD1 ILE 102 -2.712 -6.002 -5.009 684 H SER 103 H SER 103 -0.701 -7.723 -4.573 685 HA SER 103 HA SER 103 -1.884 -8.032 -7.242 686 1HB SER 103 2HB SER 103 0.231 -9.630 -6.107 687 2HB SER 103 1HB SER 103 -1.201 -10.626 -6.362 688 HG SER 103 HG SER 103 -1.173 -10.109 -8.510 689 H ARG 104 H ARG 104 -4.012 -8.078 -6.933 690 HA ARG 104 HA ARG 104 -5.066 -9.779 -4.779 691 1HB ARG 104 2HB ARG 104 -6.929 -8.063 -4.533 692 2HB ARG 104 1HB ARG 104 -5.359 -7.616 -3.880 693 1HG ARG 104 2HG ARG 104 -5.729 -5.695 -4.969 694 2HG ARG 104 1HG ARG 104 -5.158 -6.598 -6.373 695 1HD ARG 104 2HD ARG 104 -7.505 -7.208 -6.879 696 2HD ARG 104 1HD ARG 104 -8.027 -6.192 -5.537 697 HE ARG 104 HE ARG 104 -7.704 -4.350 -6.852 698 1HH1 ARG 104 1HH1 ARG 104 -6.069 -7.067 -8.305 699 2HH1 ARG 104 2HH1 ARG 104 -5.682 -6.217 -9.762 700 1HH2 ARG 104 1HH2 ARG 104 -7.197 -3.227 -8.769 701 2HH2 ARG 104 2HH2 ARG 104 -6.322 -4.037 -10.026 702 H ASN 105 H ASN 105 -6.677 -11.110 -5.369 703 HA ASN 105 HA ASN 105 -7.300 -11.490 -8.082 704 1HB ASN 105 2HB ASN 105 -9.244 -12.910 -7.034 705 2HB ASN 105 1HB ASN 105 -7.574 -13.430 -6.846 706 1HD2 ASN 105 1HD2 ASN 105 -9.799 -11.190 -5.211 707 2HD2 ASN 105 2HD2 ASN 105 -9.453 -11.754 -3.610 708 HA PRO 106 HA PRO 106 -10.602 -8.660 -8.805 709 1HB PRO 106 2HB PRO 106 -12.056 -9.989 -10.664 710 2HB PRO 106 1HB PRO 106 -10.476 -9.281 -11.018 711 1HG PRO 106 2HG PRO 106 -11.178 -12.121 -10.389 712 2HG PRO 106 1HG PRO 106 -10.078 -11.489 -11.628 713 1HD PRO 106 2HD PRO 106 -9.206 -12.487 -9.261 714 2HD PRO 106 1HD PRO 106 -8.359 -11.188 -10.126 Start of MODEL 12 1 1H SER 16 1HT SER 16 -11.739 -11.439 -13.490 2 2H SER 16 2HT SER 16 -13.144 -12.421 -13.420 3 3H SER 16 3HT SER 16 -11.717 -13.013 -14.165 4 HA SER 16 HA SER 16 -10.704 -12.504 -11.850 5 1HB SER 16 2HB SER 16 -13.673 -12.845 -11.407 6 2HB SER 16 1HB SER 16 -12.485 -13.172 -10.143 7 HG SER 16 HG SER 16 -13.319 -11.020 -10.078 8 HA PRO 17 HA PRO 17 -11.015 -16.905 -13.382 9 1HB PRO 17 2HB PRO 17 -8.343 -17.212 -13.845 10 2HB PRO 17 1HB PRO 17 -9.487 -16.628 -15.056 11 1HG PRO 17 2HG PRO 17 -7.560 -15.097 -13.374 12 2HG PRO 17 1HG PRO 17 -8.052 -14.826 -15.053 13 1HD PRO 17 2HD PRO 17 -8.997 -13.378 -12.933 14 2HD PRO 17 1HD PRO 17 -9.890 -13.616 -14.446 15 H THR 18 H THR 18 -7.876 -16.155 -11.909 16 HA THR 18 HA THR 18 -8.539 -17.075 -9.334 17 HB THR 18 HB THR 18 -6.680 -18.978 -10.712 18 HG1 THR 18 1HG THR 18 -9.477 -19.354 -10.528 19 1HG2 THR 18 1HG2 THR 18 -7.138 -20.448 -8.983 20 2HG2 THR 18 2HG2 THR 18 -8.612 -19.596 -8.521 21 3HG2 THR 18 3HG2 THR 18 -7.035 -18.879 -8.185 22 HA PRO 19 HA PRO 19 -3.674 -16.504 -9.685 23 1HB PRO 19 2HB PRO 19 -3.003 -15.265 -12.089 24 2HB PRO 19 1HB PRO 19 -2.734 -16.967 -11.702 25 1HG PRO 19 2HG PRO 19 -4.954 -15.703 -13.248 26 2HG PRO 19 1HG PRO 19 -4.106 -17.231 -13.545 27 1HD PRO 19 2HD PRO 19 -6.541 -17.210 -12.467 28 2HD PRO 19 1HD PRO 19 -5.312 -18.360 -11.908 29 H VAL 20 H VAL 20 -3.246 -14.783 -8.489 30 HA VAL 20 HA VAL 20 -4.721 -12.569 -8.087 31 HB VAL 20 HB VAL 20 -2.659 -11.395 -7.331 32 1HG1 VAL 20 1HG1 VAL 20 -1.972 -13.334 -5.731 33 2HG1 VAL 20 2HG1 VAL 20 -3.325 -14.177 -6.484 34 3HG1 VAL 20 3HG1 VAL 20 -3.594 -12.651 -5.644 35 1HG2 VAL 20 1HG2 VAL 20 -0.525 -12.587 -7.421 36 2HG2 VAL 20 2HG2 VAL 20 -1.131 -12.236 -9.039 37 3HG2 VAL 20 3HG2 VAL 20 -1.275 -13.865 -8.376 38 H GLU 21 H GLU 21 -4.418 -10.298 -8.606 39 HA GLU 21 HA GLU 21 -3.479 -9.882 -11.369 40 1HB GLU 21 2HB GLU 21 -6.016 -9.104 -10.032 41 2HB GLU 21 1HB GLU 21 -5.303 -7.927 -11.125 42 1HG GLU 21 2HG GLU 21 -5.596 -9.261 -12.974 43 2HG GLU 21 1HG GLU 21 -5.644 -10.746 -12.026 44 H LEU 22 H LEU 22 -1.866 -8.481 -11.523 45 HA LEU 22 HA LEU 22 -0.794 -7.103 -9.339 46 1HB LEU 22 2HB LEU 22 -0.382 -7.018 -12.288 47 2HB LEU 22 1HB LEU 22 0.341 -5.763 -11.301 48 HG LEU 22 HG LEU 22 0.842 -8.727 -11.091 49 1HD1 LEU 22 1HD1 LEU 22 2.186 -8.136 -12.821 50 2HD1 LEU 22 2HD1 LEU 22 3.242 -7.641 -11.498 51 3HD1 LEU 22 3HD1 LEU 22 2.256 -6.442 -12.336 52 1HD2 LEU 22 1HD2 LEU 22 1.122 -8.160 -8.906 53 2HD2 LEU 22 2HD2 LEU 22 1.450 -6.466 -9.270 54 3HD2 LEU 22 3HD2 LEU 22 2.706 -7.680 -9.513 55 H HIS 23 H HIS 23 -0.916 -5.024 -8.630 56 HA HIS 23 HA HIS 23 -2.553 -3.101 -10.077 57 1HB HIS 23 2HB HIS 23 -3.131 -3.819 -7.197 58 2HB HIS 23 1HB HIS 23 -3.956 -2.594 -8.152 59 HD1 HIS 23 1HD HIS 23 -4.695 -4.045 -10.661 60 HD2 HIS 23 2HD HIS 23 -4.919 -5.818 -6.910 61 HE1 HIS 23 1HE HIS 23 -6.346 -5.927 -10.905 62 HE2 HIS 23 2HE HIS 23 -6.514 -6.945 -8.606 63 H LYS 24 H LYS 24 -1.095 -1.510 -10.295 64 HA LYS 24 HA LYS 24 0.921 -0.961 -8.349 65 1HB LYS 24 2HB LYS 24 1.460 0.978 -9.762 66 2HB LYS 24 1HB LYS 24 1.299 -0.490 -10.716 67 1HG LYS 24 2HG LYS 24 -1.103 0.274 -11.151 68 2HG LYS 24 1HG LYS 24 -0.575 1.841 -10.536 69 1HD LYS 24 2HD LYS 24 -0.341 1.918 -12.898 70 2HD LYS 24 1HD LYS 24 1.287 1.757 -12.231 71 1HE LYS 24 2HE LYS 24 1.242 -0.640 -12.691 72 2HE LYS 24 1HE LYS 24 -0.393 -0.494 -13.334 73 1HZ LYS 24 1HZ LYS 24 1.725 1.169 -14.495 74 2HZ LYS 24 2HZ LYS 24 0.342 0.523 -15.224 75 3HZ LYS 24 3HZ LYS 24 1.673 -0.473 -14.908 76 H VAL 25 H VAL 25 0.409 -0.151 -6.417 77 HA VAL 25 HA VAL 25 -1.650 1.952 -6.297 78 HB VAL 25 HB VAL 25 -1.147 0.946 -3.690 79 1HG1 VAL 25 1HG1 VAL 25 -3.576 0.097 -4.082 80 2HG1 VAL 25 2HG1 VAL 25 -3.438 0.979 -5.603 81 3HG1 VAL 25 3HG1 VAL 25 -3.240 1.829 -4.070 82 1HG2 VAL 25 1HG2 VAL 25 -0.255 -1.067 -4.809 83 2HG2 VAL 25 2HG2 VAL 25 -1.797 -1.259 -5.643 84 3HG2 VAL 25 3HG2 VAL 25 -1.722 -1.393 -3.886 85 H THR 26 H THR 26 -1.262 3.820 -5.228 86 HA THR 26 HA THR 26 1.360 4.175 -3.959 87 HB THR 26 HB THR 26 0.078 6.061 -5.952 88 HG1 THR 26 1HG THR 26 1.249 5.014 -7.316 89 1HG2 THR 26 1HG2 THR 26 2.530 6.375 -4.256 90 2HG2 THR 26 2HG2 THR 26 1.165 7.476 -4.433 91 3HG2 THR 26 3HG2 THR 26 2.298 7.258 -5.765 92 H LEU 27 H LEU 27 0.791 4.501 -1.879 93 HA LEU 27 HA LEU 27 -1.534 6.205 -1.309 94 1HB LEU 27 2HB LEU 27 -0.079 4.480 0.676 95 2HB LEU 27 1HB LEU 27 -1.695 5.151 0.803 96 HG LEU 27 HG LEU 27 -1.022 3.137 -1.321 97 1HD1 LEU 27 1HD1 LEU 27 -0.635 2.545 1.291 98 2HD1 LEU 27 2HD1 LEU 27 -1.147 1.380 0.072 99 3HD1 LEU 27 3HD1 LEU 27 -2.345 2.152 1.110 100 1HD2 LEU 27 1HD2 LEU 27 -3.624 3.646 0.095 101 2HD2 LEU 27 2HD2 LEU 27 -3.351 2.781 -1.418 102 3HD2 LEU 27 3HD2 LEU 27 -3.140 4.530 -1.351 103 H TYR 28 H TYR 28 -1.183 7.180 1.081 104 HA TYR 28 HA TYR 28 1.436 8.502 1.183 105 1HB TYR 28 2HB TYR 28 -1.215 9.945 1.422 106 2HB TYR 28 1HB TYR 28 0.379 10.671 1.590 107 HD1 TYR 28 1HD TYR 28 -1.703 8.783 -0.863 108 HD2 TYR 28 2HD TYR 28 1.388 11.642 -0.261 109 HE1 TYR 28 1HE TYR 28 -1.665 9.240 -3.278 110 HE2 TYR 28 2HE TYR 28 1.434 12.109 -2.674 111 HH TYR 28 HH TYR 28 -0.209 10.143 -4.958 112 H LYS 29 H LYS 29 2.001 9.331 3.275 113 HA LYS 29 HA LYS 29 0.442 8.096 5.451 114 1HB LYS 29 2HB LYS 29 3.086 7.626 4.760 115 2HB LYS 29 1HB LYS 29 3.206 8.735 6.116 116 1HG LYS 29 2HG LYS 29 1.568 7.155 7.298 117 2HG LYS 29 1HG LYS 29 1.991 6.002 6.032 118 1HD LYS 29 2HD LYS 29 3.638 5.421 7.460 119 2HD LYS 29 1HD LYS 29 4.449 6.839 6.789 120 1HE LYS 29 2HE LYS 29 3.857 8.179 8.624 121 2HE LYS 29 1HE LYS 29 2.637 7.033 9.175 122 1HZ LYS 29 1HZ LYS 29 5.066 7.207 10.233 123 2HZ LYS 29 2HZ LYS 29 5.362 6.033 9.052 124 3HZ LYS 29 3HZ LYS 29 4.164 5.775 10.218 125 H ASP 30 H ASP 30 0.721 9.150 7.587 126 HA ASP 30 HA ASP 30 0.674 12.074 7.262 127 1HB ASP 30 2HB ASP 30 -1.285 10.533 8.273 128 2HB ASP 30 1HB ASP 30 -0.371 10.833 9.748 129 H SER 31 H SER 31 1.652 13.399 8.870 130 HA SER 31 HA SER 31 4.231 12.708 9.585 131 1HB SER 31 2HB SER 31 2.843 15.014 9.626 132 2HB SER 31 1HB SER 31 2.857 14.657 11.352 133 HG SER 31 HG SER 31 5.201 14.590 9.772 134 H GLY 32 H GLY 32 1.247 12.110 11.286 135 1HA GLY 32 2HA GLY 32 2.798 10.683 13.346 136 2HA GLY 32 1HA GLY 32 1.484 11.752 13.811 137 H MET 33 H MET 33 1.516 9.589 11.025 138 HA MET 33 HA MET 33 -0.967 8.407 11.905 139 1HB MET 33 2HB MET 33 0.111 8.922 9.441 140 2HB MET 33 1HB MET 33 0.376 7.192 9.590 141 1HG MET 33 2HG MET 33 -1.925 6.753 9.813 142 2HG MET 33 1HG MET 33 -2.298 8.455 10.088 143 1HE MET 33 1HE MET 33 -3.114 10.061 7.626 144 2HE MET 33 2HE MET 33 -3.893 8.960 8.762 145 3HE MET 33 3HE MET 33 -4.091 8.721 7.026 146 H GLU 34 H GLU 34 -1.326 6.205 12.326 147 HA GLU 34 HA GLU 34 1.012 4.832 13.412 148 1HB GLU 34 2HB GLU 34 -1.936 4.264 13.757 149 2HB GLU 34 1HB GLU 34 -0.637 3.381 14.548 150 1HG GLU 34 2HG GLU 34 -0.669 6.315 14.909 151 2HG GLU 34 1HG GLU 34 -1.945 5.392 15.703 152 H ASP 35 H ASP 35 -0.880 4.809 10.646 153 HA ASP 35 HA ASP 35 0.374 2.392 9.706 154 1HB ASP 35 2HB ASP 35 -1.921 1.874 10.933 155 2HB ASP 35 1HB ASP 35 -2.598 2.400 9.395 156 H PHE 36 H PHE 36 -0.542 1.929 7.369 157 HA PHE 36 HA PHE 36 -0.544 4.528 6.007 158 1HB PHE 36 2HB PHE 36 0.897 2.136 5.565 159 2HB PHE 36 1HB PHE 36 -0.202 2.317 4.201 160 HD1 PHE 36 1HD PHE 36 -0.233 4.616 3.040 161 HD2 PHE 36 2HD PHE 36 2.898 3.296 5.601 162 HE1 PHE 36 1HE PHE 36 1.283 6.272 2.035 163 HE2 PHE 36 2HE PHE 36 4.419 4.950 4.602 164 HZ PHE 36 HZ PHE 36 3.613 6.443 2.818 165 H GLY 37 H GLY 37 -2.931 3.237 7.192 166 1HA GLY 37 2HA GLY 37 -5.163 3.402 6.548 167 2HA GLY 37 1HA GLY 37 -4.645 3.556 4.878 168 H PHE 38 H PHE 38 -3.093 0.917 6.233 169 HA PHE 38 HA PHE 38 -5.130 -1.025 6.187 170 1HB PHE 38 2HB PHE 38 -4.858 -2.075 4.083 171 2HB PHE 38 1HB PHE 38 -5.080 -0.364 3.756 172 HD1 PHE 38 1HD PHE 38 -2.128 0.363 4.520 173 HD2 PHE 38 2HD PHE 38 -3.891 -2.563 1.982 174 HE1 PHE 38 1HE PHE 38 -0.096 0.344 3.130 175 HE2 PHE 38 2HE PHE 38 -1.866 -2.589 0.593 176 HZ PHE 38 HZ PHE 38 0.035 -1.138 1.160 177 H SER 39 H SER 39 -4.433 -3.005 6.883 178 HA SER 39 HA SER 39 -1.562 -3.184 7.496 179 1HB SER 39 2HB SER 39 -3.869 -4.623 8.828 180 2HB SER 39 1HB SER 39 -2.181 -4.658 9.336 181 HG SER 39 HG SER 39 -3.662 -2.254 9.151 182 H VAL 40 H VAL 40 -0.515 -5.229 7.284 183 HA VAL 40 HA VAL 40 -1.822 -7.008 5.331 184 HB VAL 40 HB VAL 40 0.376 -7.506 4.408 185 1HG1 VAL 40 1HG1 VAL 40 0.884 -4.907 3.836 186 2HG1 VAL 40 2HG1 VAL 40 -0.777 -4.807 4.421 187 3HG1 VAL 40 3HG1 VAL 40 -0.381 -5.868 3.068 188 1HG2 VAL 40 1HG2 VAL 40 1.420 -5.424 6.328 189 2HG2 VAL 40 2HG2 VAL 40 2.356 -6.251 5.084 190 3HG2 VAL 40 3HG2 VAL 40 1.701 -7.161 6.445 191 H ALA 41 H ALA 41 -0.937 -9.251 5.320 192 HA ALA 41 HA ALA 41 -0.052 -10.127 7.984 193 1HB ALA 41 1HB ALA 41 -2.558 -10.403 7.578 194 2HB ALA 41 2HB ALA 41 -1.666 -11.823 8.122 195 3HB ALA 41 3HB ALA 41 -2.110 -11.659 6.424 196 H ASP 42 H ASP 42 1.347 -11.845 8.021 197 HA ASP 42 HA ASP 42 2.975 -12.321 5.818 198 1HB ASP 42 2HB ASP 42 3.909 -14.193 7.116 199 2HB ASP 42 1HB ASP 42 3.693 -12.761 8.116 200 H GLY 43 H GLY 43 3.382 -14.471 4.780 201 1HA GLY 43 2HA GLY 43 0.800 -15.729 4.087 202 2HA GLY 43 1HA GLY 43 2.137 -15.539 2.963 203 H LEU 44 H LEU 44 0.597 -17.919 4.089 204 HA LEU 44 HA LEU 44 2.757 -19.401 5.354 205 1HB LEU 44 2HB LEU 44 -0.171 -19.813 5.039 206 2HB LEU 44 1HB LEU 44 0.848 -21.214 5.305 207 HG LEU 44 HG LEU 44 1.341 -19.025 7.193 208 1HD1 LEU 44 1HD1 LEU 44 -1.252 -20.514 7.471 209 2HD1 LEU 44 2HD1 LEU 44 -1.155 -18.909 6.745 210 3HD1 LEU 44 3HD1 LEU 44 -0.658 -19.151 8.419 211 1HD2 LEU 44 1HD2 LEU 44 0.501 -21.704 8.082 212 2HD2 LEU 44 2HD2 LEU 44 1.882 -20.723 8.572 213 3HD2 LEU 44 3HD2 LEU 44 1.945 -21.649 7.073 214 H LEU 45 H LEU 45 0.487 -19.940 2.720 215 HA LEU 45 HA LEU 45 2.178 -21.968 1.577 216 1HB LEU 45 2HB LEU 45 0.376 -21.982 -0.228 217 2HB LEU 45 1HB LEU 45 -0.067 -22.523 1.380 218 HG LEU 45 HG LEU 45 -0.529 -19.686 1.081 219 1HD1 LEU 45 1HD1 LEU 45 -2.473 -19.946 -0.478 220 2HD1 LEU 45 2HD1 LEU 45 -1.826 -21.529 -0.914 221 3HD1 LEU 45 3HD1 LEU 45 -0.887 -20.071 -1.239 222 1HD2 LEU 45 1HD2 LEU 45 -1.492 -21.675 2.612 223 2HD2 LEU 45 2HD2 LEU 45 -2.768 -21.575 1.398 224 3HD2 LEU 45 3HD2 LEU 45 -2.339 -20.151 2.344 225 H GLU 46 H GLU 46 1.130 -18.744 0.738 226 HA GLU 46 HA GLU 46 2.743 -18.739 -1.675 227 1HB GLU 46 2HB GLU 46 1.252 -16.384 -0.540 228 2HB GLU 46 1HB GLU 46 1.735 -16.666 -2.206 229 1HG GLU 46 2HG GLU 46 0.166 -18.652 -2.177 230 2HG GLU 46 1HG GLU 46 -0.449 -18.014 -0.653 231 H LYS 47 H LYS 47 3.677 -18.610 1.340 232 HA LYS 47 HA LYS 47 5.114 -17.299 2.631 233 1HB LYS 47 2HB LYS 47 7.383 -17.582 1.750 234 2HB LYS 47 1HB LYS 47 6.429 -19.047 1.569 235 1HG LYS 47 2HG LYS 47 6.985 -19.085 -0.571 236 2HG LYS 47 1HG LYS 47 6.061 -17.600 -0.801 237 1HD LYS 47 2HD LYS 47 8.280 -16.510 0.152 238 2HD LYS 47 1HD LYS 47 8.992 -17.992 -0.486 239 1HE LYS 47 2HE LYS 47 7.199 -16.960 -2.435 240 2HE LYS 47 1HE LYS 47 8.231 -15.641 -1.888 241 1HZ LYS 47 1HZ LYS 47 9.165 -18.266 -2.914 242 2HZ LYS 47 2HZ LYS 47 10.167 -17.024 -2.360 243 3HZ LYS 47 3HZ LYS 47 9.227 -16.795 -3.747 244 H GLY 48 H GLY 48 4.000 -15.233 2.431 245 1HA GLY 48 2HA GLY 48 5.776 -13.182 1.546 246 2HA GLY 48 1HA GLY 48 4.381 -13.318 0.484 247 H VAL 49 H VAL 49 3.299 -11.477 0.955 248 HA VAL 49 HA VAL 49 1.970 -11.343 3.519 249 HB VAL 49 HB VAL 49 3.659 -9.005 2.627 250 1HG1 VAL 49 1HG1 VAL 49 1.484 -9.297 4.521 251 2HG1 VAL 49 2HG1 VAL 49 2.249 -7.837 3.894 252 3HG1 VAL 49 3HG1 VAL 49 2.948 -8.673 5.282 253 1HG2 VAL 49 1HG2 VAL 49 4.102 -11.012 4.830 254 2HG2 VAL 49 2HG2 VAL 49 4.969 -9.482 4.697 255 3HG2 VAL 49 3HG2 VAL 49 5.136 -10.702 3.434 256 H TYR 50 H TYR 50 0.004 -10.364 3.382 257 HA TYR 50 HA TYR 50 -0.611 -8.764 1.008 258 1HB TYR 50 2HB TYR 50 -2.850 -10.482 1.689 259 2HB TYR 50 1HB TYR 50 -2.083 -10.209 0.128 260 HD1 TYR 50 1HD TYR 50 -2.754 -12.592 2.613 261 HD2 TYR 50 2HD TYR 50 0.232 -11.440 -0.187 262 HE1 TYR 50 1HE TYR 50 -1.810 -14.857 2.697 263 HE2 TYR 50 2HE TYR 50 1.184 -13.703 -0.116 264 HH TYR 50 HH TYR 50 1.228 -15.641 1.255 265 H VAL 51 H VAL 51 -2.534 -7.453 1.229 266 HA VAL 51 HA VAL 51 -2.730 -6.220 3.755 267 HB VAL 51 HB VAL 51 -4.650 -6.010 1.430 268 1HG1 VAL 51 1HG1 VAL 51 -5.338 -3.908 2.391 269 2HG1 VAL 51 2HG1 VAL 51 -4.168 -4.082 3.700 270 3HG1 VAL 51 3HG1 VAL 51 -5.539 -5.185 3.591 271 1HG2 VAL 51 1HG2 VAL 51 -2.253 -4.315 2.125 272 2HG2 VAL 51 2HG2 VAL 51 -3.366 -4.043 0.783 273 3HG2 VAL 51 3HG2 VAL 51 -2.341 -5.479 0.805 274 H LYS 52 H LYS 52 -3.787 -6.835 5.495 275 HA LYS 52 HA LYS 52 -5.791 -8.925 5.331 276 1HB LYS 52 2HB LYS 52 -5.667 -8.788 7.859 277 2HB LYS 52 1HB LYS 52 -4.193 -9.288 7.040 278 1HG LYS 52 2HG LYS 52 -3.052 -7.484 7.722 279 2HG LYS 52 1HG LYS 52 -4.427 -6.402 7.496 280 1HD LYS 52 2HD LYS 52 -3.895 -6.483 9.838 281 2HD LYS 52 1HD LYS 52 -5.423 -7.328 9.580 282 1HE LYS 52 2HE LYS 52 -3.132 -9.099 9.353 283 2HE LYS 52 1HE LYS 52 -3.204 -8.299 10.924 284 1HZ LYS 52 1HZ LYS 52 -4.486 -10.522 10.468 285 2HZ LYS 52 2HZ LYS 52 -5.664 -9.475 9.855 286 3HZ LYS 52 3HZ LYS 52 -5.152 -9.322 11.459 287 H ASN 53 H ASN 53 -5.542 -5.541 6.020 288 HA ASN 53 HA ASN 53 -8.393 -5.232 5.801 289 1HB ASN 53 2HB ASN 53 -7.016 -4.953 8.448 290 2HB ASN 53 1HB ASN 53 -8.408 -3.941 8.073 291 1HD2 ASN 53 1HD2 ASN 53 -7.314 -7.026 9.009 292 2HD2 ASN 53 2HD2 ASN 53 -8.862 -7.802 9.106 293 H ILE 54 H ILE 54 -9.073 -3.031 5.654 294 HA ILE 54 HA ILE 54 -6.906 -1.074 5.343 295 HB ILE 54 HB ILE 54 -9.199 -1.409 3.418 296 1HG1 ILE 54 2HG1 ILE 54 -6.567 -2.677 3.559 297 2HG1 ILE 54 1HG1 ILE 54 -7.978 -3.119 2.608 298 1HG2 ILE 54 1HG2 ILE 54 -8.280 0.903 3.764 299 2HG2 ILE 54 2HG2 ILE 54 -8.180 0.299 2.111 300 3HG2 ILE 54 3HG2 ILE 54 -6.745 0.312 3.132 301 1HD1 ILE 54 1HD1 ILE 54 -7.315 -1.249 1.030 302 2HD1 ILE 54 2HD1 ILE 54 -6.276 -2.675 1.065 303 3HD1 ILE 54 3HD1 ILE 54 -5.782 -1.204 1.904 304 H ARG 55 H ARG 55 -7.300 0.757 6.410 305 HA ARG 55 HA ARG 55 -9.674 1.163 7.879 306 1HB ARG 55 2HB ARG 55 -7.236 2.793 7.308 307 2HB ARG 55 1HB ARG 55 -8.630 3.582 8.032 308 1HG ARG 55 2HG ARG 55 -8.369 1.347 9.582 309 2HG ARG 55 1HG ARG 55 -6.691 1.746 9.206 310 1HD ARG 55 2HD ARG 55 -6.760 3.717 10.346 311 2HD ARG 55 1HD ARG 55 -8.474 3.971 10.020 312 HE ARG 55 HE ARG 55 -7.322 2.631 12.280 313 1HH1 ARG 55 1HH1 ARG 55 -10.162 2.898 10.270 314 2HH1 ARG 55 2HH1 ARG 55 -11.238 2.314 11.495 315 1HH2 ARG 55 1HH2 ARG 55 -8.735 1.859 13.893 316 2HH2 ARG 55 2HH2 ARG 55 -10.429 1.723 13.551 317 HA PRO 56 HA PRO 56 -12.200 2.638 4.451 318 1HB PRO 56 2HB PRO 56 -13.869 3.534 6.748 319 2HB PRO 56 1HB PRO 56 -14.330 2.610 5.314 320 1HG PRO 56 2HG PRO 56 -14.069 1.406 7.674 321 2HG PRO 56 1HG PRO 56 -13.531 0.611 6.182 322 1HD PRO 56 2HD PRO 56 -11.916 1.944 8.311 323 2HD PRO 56 1HD PRO 56 -11.547 0.493 7.353 324 H ALA 57 H ALA 57 -11.833 4.480 3.431 325 HA ALA 57 HA ALA 57 -11.913 6.756 3.032 326 1HB ALA 57 1HB ALA 57 -13.154 6.795 5.389 327 2HB ALA 57 2HB ALA 57 -12.614 8.262 4.573 328 3HB ALA 57 3HB ALA 57 -11.638 7.563 5.866 329 H GLY 58 H GLY 58 -9.713 5.268 5.294 330 1HA GLY 58 2HA GLY 58 -7.690 7.196 5.360 331 2HA GLY 58 1HA GLY 58 -7.445 5.468 5.565 332 HA PRO 59 HA PRO 59 -5.240 7.179 1.698 333 1HB PRO 59 2HB PRO 59 -3.238 5.306 2.872 334 2HB PRO 59 1HB PRO 59 -2.993 6.878 2.102 335 1HG PRO 59 2HG PRO 59 -2.849 6.628 4.747 336 2HG PRO 59 1HG PRO 59 -3.600 8.054 4.006 337 1HD PRO 59 2HD PRO 59 -4.878 5.705 5.327 338 2HD PRO 59 1HD PRO 59 -5.378 7.409 5.322 339 H GLY 60 H GLY 60 -5.562 3.974 3.162 340 1HA GLY 60 2HA GLY 60 -4.996 2.432 0.888 341 2HA GLY 60 1HA GLY 60 -5.981 1.913 2.246 342 H ASP 61 H ASP 61 -8.118 3.635 2.099 343 HA ASP 61 HA ASP 61 -9.599 2.487 -0.057 344 1HB ASP 61 2HB ASP 61 -10.302 3.400 2.388 345 2HB ASP 61 1HB ASP 61 -10.748 4.793 1.408 346 H LEU 62 H LEU 62 -8.066 5.556 0.583 347 HA LEU 62 HA LEU 62 -9.291 7.073 -1.434 348 1HB LEU 62 2HB LEU 62 -6.634 7.290 -0.046 349 2HB LEU 62 1HB LEU 62 -7.120 8.432 -1.284 350 HG LEU 62 HG LEU 62 -8.668 7.924 1.256 351 1HD1 LEU 62 1HD1 LEU 62 -7.552 9.582 2.302 352 2HD1 LEU 62 2HD1 LEU 62 -7.279 10.487 0.813 353 3HD1 LEU 62 3HD1 LEU 62 -6.259 9.101 1.203 354 1HD2 LEU 62 1HD2 LEU 62 -9.094 9.584 -1.152 355 2HD2 LEU 62 2HD2 LEU 62 -9.454 10.334 0.403 356 3HD2 LEU 62 3HD2 LEU 62 -10.264 8.838 -0.063 357 H GLY 63 H GLY 63 -6.617 4.815 -1.480 358 1HA GLY 63 2HA GLY 63 -5.877 5.510 -4.201 359 2HA GLY 63 1HA GLY 63 -5.137 4.269 -3.202 360 H GLY 64 H GLY 64 -7.296 2.704 -2.537 361 1HA GLY 64 2HA GLY 64 -9.211 1.668 -3.735 362 2HA GLY 64 1HA GLY 64 -8.223 1.766 -5.184 363 H LEU 65 H LEU 65 -7.026 0.825 -2.015 364 HA LEU 65 HA LEU 65 -5.906 -1.581 -3.072 365 1HB LEU 65 2HB LEU 65 -6.078 -0.396 -0.314 366 2HB LEU 65 1HB LEU 65 -5.393 -1.987 -0.588 367 HG LEU 65 HG LEU 65 -4.348 0.406 -2.067 368 1HD1 LEU 65 1HD1 LEU 65 -2.563 -0.020 -0.026 369 2HD1 LEU 65 2HD1 LEU 65 -4.123 -0.152 0.784 370 3HD1 LEU 65 3HD1 LEU 65 -3.721 1.306 -0.124 371 1HD2 LEU 65 1HD2 LEU 65 -3.301 -2.319 -1.352 372 2HD2 LEU 65 2HD2 LEU 65 -2.259 -1.024 -1.938 373 3HD2 LEU 65 3HD2 LEU 65 -3.565 -1.632 -2.955 374 H LYS 66 H LYS 66 -6.458 -3.713 -2.629 375 HA LYS 66 HA LYS 66 -9.103 -4.126 -1.397 376 1HB LYS 66 2HB LYS 66 -7.982 -5.268 -3.945 377 2HB LYS 66 1HB LYS 66 -9.279 -6.075 -3.076 378 1HG LYS 66 2HG LYS 66 -10.254 -3.551 -3.220 379 2HG LYS 66 1HG LYS 66 -9.330 -3.648 -4.721 380 1HD LYS 66 2HD LYS 66 -10.618 -5.387 -5.553 381 2HD LYS 66 1HD LYS 66 -11.183 -5.866 -3.951 382 1HE LYS 66 2HE LYS 66 -11.910 -3.191 -5.078 383 2HE LYS 66 1HE LYS 66 -12.802 -4.633 -5.561 384 1HZ LYS 66 1HZ LYS 66 -13.509 -3.191 -3.493 385 2HZ LYS 66 2HZ LYS 66 -12.394 -4.186 -2.701 386 3HZ LYS 66 3HZ LYS 66 -13.712 -4.871 -3.512 387 HA PRO 67 HA PRO 67 -7.439 -7.225 1.245 388 1HB PRO 67 2HB PRO 67 -9.170 -9.346 0.806 389 2HB PRO 67 1HB PRO 67 -9.476 -7.998 1.904 390 1HG PRO 67 2HG PRO 67 -10.430 -8.418 -0.896 391 2HG PRO 67 1HG PRO 67 -11.300 -7.752 0.498 392 1HD PRO 67 2HD PRO 67 -10.326 -6.158 -1.417 393 2HD PRO 67 1HD PRO 67 -10.288 -5.669 0.290 394 H TYR 68 H TYR 68 -5.918 -8.788 1.178 395 HA TYR 68 HA TYR 68 -4.661 -10.557 0.430 396 1HB TYR 68 2HB TYR 68 -6.200 -10.520 -2.165 397 2HB TYR 68 1HB TYR 68 -5.188 -11.811 -1.534 398 HD1 TYR 68 1HD TYR 68 -5.957 -12.683 0.867 399 HD2 TYR 68 2HD TYR 68 -8.481 -10.767 -1.967 400 HE1 TYR 68 1HE TYR 68 -7.917 -13.725 1.920 401 HE2 TYR 68 2HE TYR 68 -10.450 -11.799 -0.923 402 HH TYR 68 HH TYR 68 -10.254 -14.351 1.250 403 H ASP 69 H ASP 69 -4.850 -7.511 -0.681 404 HA ASP 69 HA ASP 69 -3.310 -7.328 -2.965 405 1HB ASP 69 2HB ASP 69 -3.895 -5.548 -0.669 406 2HB ASP 69 1HB ASP 69 -2.485 -5.127 -1.638 407 H ARG 70 H ARG 70 -1.813 -9.081 -2.749 408 HA ARG 70 HA ARG 70 0.181 -9.176 -0.759 409 1HB ARG 70 2HB ARG 70 -0.432 -11.131 -2.054 410 2HB ARG 70 1HB ARG 70 0.105 -10.353 -3.537 411 1HG ARG 70 2HG ARG 70 2.375 -10.479 -2.897 412 2HG ARG 70 1HG ARG 70 1.957 -10.910 -1.236 413 1HD ARG 70 2HD ARG 70 2.674 -12.901 -2.324 414 2HD ARG 70 1HD ARG 70 0.924 -13.007 -2.140 415 HE ARG 70 HE ARG 70 1.302 -11.933 -4.626 416 1HH1 ARG 70 1HH1 ARG 70 2.333 -14.847 -3.009 417 2HH1 ARG 70 2HH1 ARG 70 2.399 -15.782 -4.465 418 1HH2 ARG 70 1HH2 ARG 70 1.382 -13.160 -6.542 419 2HH2 ARG 70 2HH2 ARG 70 1.859 -14.825 -6.471 420 H LEU 71 H LEU 71 1.476 -7.454 -0.462 421 HA LEU 71 HA LEU 71 2.349 -5.690 -2.474 422 1HB LEU 71 2HB LEU 71 3.499 -6.281 0.252 423 2HB LEU 71 1HB LEU 71 4.030 -4.960 -0.770 424 HG LEU 71 HG LEU 71 1.317 -4.536 -0.632 425 1HD1 LEU 71 1HD1 LEU 71 2.274 -5.702 1.963 426 2HD1 LEU 71 2HD1 LEU 71 0.847 -6.138 1.022 427 3HD1 LEU 71 3HD1 LEU 71 0.910 -4.590 1.866 428 1HD2 LEU 71 1HD2 LEU 71 2.956 -2.798 -0.469 429 2HD2 LEU 71 2HD2 LEU 71 3.547 -3.434 1.066 430 3HD2 LEU 71 3HD2 LEU 71 1.933 -2.729 0.965 431 H LEU 72 H LEU 72 3.530 -6.363 -4.169 432 HA LEU 72 HA LEU 72 5.505 -8.450 -3.845 433 1HB LEU 72 2HB LEU 72 5.032 -6.850 -6.342 434 2HB LEU 72 1HB LEU 72 5.705 -8.460 -6.199 435 HG LEU 72 HG LEU 72 2.831 -7.615 -5.957 436 1HD1 LEU 72 1HD1 LEU 72 4.002 -8.235 -8.156 437 2HD1 LEU 72 2HD1 LEU 72 2.465 -9.015 -7.779 438 3HD1 LEU 72 3HD1 LEU 72 3.978 -9.886 -7.538 439 1HD2 LEU 72 1HD2 LEU 72 3.582 -9.196 -4.082 440 2HD2 LEU 72 2HD2 LEU 72 3.783 -10.397 -5.358 441 3HD2 LEU 72 3HD2 LEU 72 2.200 -9.679 -5.063 442 H GLN 73 H GLN 73 5.680 -5.241 -5.387 443 HA GLN 73 HA GLN 73 8.416 -4.996 -4.315 444 1HB GLN 73 2HB GLN 73 8.722 -3.388 -6.293 445 2HB GLN 73 1HB GLN 73 8.672 -5.110 -6.640 446 1HG GLN 73 2HG GLN 73 6.277 -4.864 -7.239 447 2HG GLN 73 1HG GLN 73 6.445 -3.123 -7.022 448 1HE2 GLN 73 1HE2 GLN 73 8.855 -2.610 -8.141 449 2HE2 GLN 73 2HE2 GLN 73 8.823 -2.979 -9.834 450 H VAL 74 H VAL 74 8.482 -3.617 -2.690 451 HA VAL 74 HA VAL 74 6.648 -1.323 -2.670 452 HB VAL 74 HB VAL 74 8.305 -2.410 -0.389 453 1HG1 VAL 74 1HG1 VAL 74 7.849 -0.342 0.389 454 2HG1 VAL 74 2HG1 VAL 74 6.282 -1.059 0.760 455 3HG1 VAL 74 3HG1 VAL 74 6.490 -0.109 -0.712 456 1HG2 VAL 74 1HG2 VAL 74 6.478 -3.630 0.363 457 2HG2 VAL 74 2HG2 VAL 74 6.429 -3.892 -1.381 458 3HG2 VAL 74 3HG2 VAL 74 5.337 -2.724 -0.633 459 H ASN 75 H ASN 75 7.407 0.649 -3.066 460 HA ASN 75 HA ASN 75 8.874 2.295 -3.670 461 1HB ASN 75 2HB ASN 75 9.668 1.355 -0.966 462 2HB ASN 75 1HB ASN 75 10.785 2.438 -1.791 463 1HD2 ASN 75 1HD2 ASN 75 7.260 2.346 -1.927 464 2HD2 ASN 75 2HD2 ASN 75 7.017 3.937 -1.283 465 H HIS 76 H HIS 76 9.410 -0.178 -4.951 466 HA HIS 76 HA HIS 76 10.968 -0.789 -6.532 467 1HB HIS 76 2HB HIS 76 12.106 1.535 -5.749 468 2HB HIS 76 1HB HIS 76 13.320 0.392 -5.183 469 HD1 HIS 76 1HD HIS 76 15.132 0.546 -6.876 470 HD2 HIS 76 2HD HIS 76 11.374 0.282 -8.628 471 HE1 HIS 76 1HE HIS 76 15.554 0.358 -9.347 472 HE2 HIS 76 2HE HIS 76 13.263 0.289 -10.394 473 H VAL 77 H VAL 77 11.385 -1.124 -3.123 474 HA VAL 77 HA VAL 77 13.338 -3.242 -3.327 475 HB VAL 77 HB VAL 77 11.719 -2.449 -0.907 476 1HG1 VAL 77 1HG1 VAL 77 14.073 -3.320 0.044 477 2HG1 VAL 77 2HG1 VAL 77 13.961 -4.302 -1.417 478 3HG1 VAL 77 3HG1 VAL 77 12.679 -4.372 -0.205 479 1HG2 VAL 77 1HG2 VAL 77 13.428 -0.931 -0.291 480 2HG2 VAL 77 2HG2 VAL 77 13.031 -0.568 -1.970 481 3HG2 VAL 77 3HG2 VAL 77 14.488 -1.484 -1.588 482 H ARG 78 H ARG 78 12.966 -5.388 -3.314 483 HA ARG 78 HA ARG 78 10.358 -6.351 -3.906 484 1HB ARG 78 2HB ARG 78 12.862 -7.882 -3.175 485 2HB ARG 78 1HB ARG 78 11.406 -8.582 -3.866 486 1HG ARG 78 2HG ARG 78 12.012 -8.034 -5.931 487 2HG ARG 78 1HG ARG 78 12.405 -6.380 -5.461 488 1HD ARG 78 2HD ARG 78 14.593 -7.027 -4.756 489 2HD ARG 78 1HD ARG 78 14.207 -8.737 -4.937 490 HE ARG 78 HE ARG 78 13.920 -7.288 -7.382 491 1HH1 ARG 78 1HH1 ARG 78 16.242 -8.837 -5.286 492 2HH1 ARG 78 2HH1 ARG 78 17.373 -9.145 -6.561 493 1HH2 ARG 78 1HH2 ARG 78 15.408 -7.689 -9.057 494 2HH2 ARG 78 2HH2 ARG 78 16.901 -8.492 -8.701 495 H THR 79 H THR 79 8.858 -7.317 -2.644 496 HA THR 79 HA THR 79 9.533 -8.045 0.101 497 HB THR 79 HB THR 79 7.603 -6.791 1.001 498 HG1 THR 79 1HG THR 79 6.313 -5.691 -0.255 499 1HG2 THR 79 1HG2 THR 79 9.389 -4.905 -0.505 500 2HG2 THR 79 2HG2 THR 79 9.873 -5.751 0.964 501 3HG2 THR 79 3HG2 THR 79 8.526 -4.611 1.005 502 H ARG 80 H ARG 80 8.693 -9.412 -2.428 503 HA ARG 80 HA ARG 80 6.014 -10.321 -2.056 504 1HB ARG 80 2HB ARG 80 8.231 -10.855 -3.904 505 2HB ARG 80 1HB ARG 80 7.231 -12.263 -3.576 506 1HG ARG 80 2HG ARG 80 5.254 -10.655 -4.090 507 2HG ARG 80 1HG ARG 80 6.495 -9.684 -4.887 508 1HD ARG 80 2HD ARG 80 6.360 -12.597 -5.488 509 2HD ARG 80 1HD ARG 80 5.146 -11.533 -6.198 510 HE ARG 80 HE ARG 80 7.850 -10.618 -6.550 511 1HH1 ARG 80 1HH1 ARG 80 5.310 -12.625 -7.856 512 2HH1 ARG 80 2HH1 ARG 80 5.938 -12.584 -9.470 513 1HH2 ARG 80 1HH2 ARG 80 8.673 -10.559 -8.670 514 2HH2 ARG 80 2HH2 ARG 80 7.849 -11.412 -9.932 515 H ASP 81 H ASP 81 9.207 -11.746 -1.416 516 HA ASP 81 HA ASP 81 7.962 -13.949 0.033 517 1HB ASP 81 2HB ASP 81 10.221 -14.895 0.136 518 2HB ASP 81 1HB ASP 81 9.792 -14.464 -1.517 519 H PHE 82 H PHE 82 8.256 -10.995 0.944 520 HA PHE 82 HA PHE 82 9.897 -11.222 3.306 521 1HB PHE 82 2HB PHE 82 8.203 -9.075 2.083 522 2HB PHE 82 1HB PHE 82 8.690 -8.932 3.768 523 HD1 PHE 82 1HD PHE 82 10.091 -7.047 3.579 524 HD2 PHE 82 2HD PHE 82 10.736 -10.433 1.083 525 HE1 PHE 82 1HE PHE 82 12.252 -6.109 2.873 526 HE2 PHE 82 2HE PHE 82 12.899 -9.500 0.373 527 HZ PHE 82 HZ PHE 82 13.660 -7.335 1.267 528 H ASP 83 H ASP 83 8.778 -10.313 5.402 529 HA ASP 83 HA ASP 83 6.327 -11.897 5.818 530 1HB ASP 83 2HB ASP 83 8.816 -11.680 7.346 531 2HB ASP 83 1HB ASP 83 7.377 -11.453 8.335 532 H CYS 84 H CYS 84 4.841 -11.054 7.476 533 HA CYS 84 HA CYS 84 3.995 -8.477 6.974 534 1HB CYS 84 2HB CYS 84 2.735 -8.695 9.170 535 2HB CYS 84 1HB CYS 84 2.465 -9.979 7.996 536 HG CYS 84 HG CYS 84 2.916 -11.387 9.972 537 H CYS 85 H CYS 85 6.282 -9.621 9.373 538 HA CYS 85 HA CYS 85 6.457 -7.209 10.828 539 1HB CYS 85 2HB CYS 85 8.288 -9.593 10.617 540 2HB CYS 85 1HB CYS 85 8.619 -8.227 11.678 541 HG CYS 85 HG CYS 85 5.902 -9.476 12.214 542 H LEU 86 H LEU 86 7.794 -8.264 7.839 543 HA LEU 86 HA LEU 86 9.852 -6.182 7.875 544 1HB LEU 86 2HB LEU 86 9.715 -8.763 6.766 545 2HB LEU 86 1HB LEU 86 9.698 -7.660 5.403 546 HG LEU 86 HG LEU 86 11.783 -7.610 7.583 547 1HD1 LEU 86 1HD1 LEU 86 11.920 -8.820 4.826 548 2HD1 LEU 86 2HD1 LEU 86 11.904 -9.706 6.350 549 3HD1 LEU 86 3HD1 LEU 86 13.267 -8.662 5.952 550 1HD2 LEU 86 1HD2 LEU 86 11.150 -5.572 6.013 551 2HD2 LEU 86 2HD2 LEU 86 12.176 -6.451 4.880 552 3HD2 LEU 86 3HD2 LEU 86 12.822 -5.939 6.440 553 H VAL 87 H VAL 87 6.837 -7.044 6.323 554 HA VAL 87 HA VAL 87 7.003 -4.961 4.349 555 HB VAL 87 HB VAL 87 4.609 -6.615 5.164 556 1HG1 VAL 87 1HG1 VAL 87 4.757 -5.641 2.422 557 2HG1 VAL 87 2HG1 VAL 87 4.676 -4.341 3.609 558 3HG1 VAL 87 3HG1 VAL 87 3.425 -5.581 3.573 559 1HG2 VAL 87 1HG2 VAL 87 5.177 -7.935 3.122 560 2HG2 VAL 87 2HG2 VAL 87 6.348 -8.087 4.432 561 3HG2 VAL 87 3HG2 VAL 87 6.705 -7.059 3.044 562 H VAL 88 H VAL 88 5.456 -5.386 7.504 563 HA VAL 88 HA VAL 88 3.816 -3.121 7.346 564 HB VAL 88 HB VAL 88 3.686 -4.984 9.084 565 1HG1 VAL 88 1HG1 VAL 88 4.755 -4.254 11.294 566 2HG1 VAL 88 2HG1 VAL 88 5.869 -3.328 10.292 567 3HG1 VAL 88 3HG1 VAL 88 5.765 -5.080 10.111 568 1HG2 VAL 88 1HG2 VAL 88 2.629 -3.508 10.720 569 2HG2 VAL 88 2HG2 VAL 88 2.212 -3.058 9.066 570 3HG2 VAL 88 3HG2 VAL 88 3.405 -2.117 9.962 571 HA PRO 89 HA PRO 89 7.467 -0.643 9.279 572 1HB PRO 89 2HB PRO 89 9.968 -1.547 8.888 573 2HB PRO 89 1HB PRO 89 9.000 -2.066 10.274 574 1HG PRO 89 2HG PRO 89 9.517 -3.483 7.690 575 2HG PRO 89 1HG PRO 89 9.515 -4.129 9.340 576 1HD PRO 89 2HD PRO 89 7.408 -4.386 7.631 577 2HD PRO 89 1HD PRO 89 7.241 -4.334 9.387 578 H LEU 90 H LEU 90 8.455 -2.528 6.404 579 HA LEU 90 HA LEU 90 9.752 -0.515 5.012 580 1HB LEU 90 2HB LEU 90 8.135 -2.854 4.018 581 2HB LEU 90 1HB LEU 90 9.058 -1.812 2.953 582 HG LEU 90 HG LEU 90 10.374 -3.235 5.246 583 1HD1 LEU 90 1HD1 LEU 90 10.547 -4.408 2.540 584 2HD1 LEU 90 2HD1 LEU 90 9.043 -4.668 3.424 585 3HD1 LEU 90 3HD1 LEU 90 10.577 -5.187 4.122 586 1HD2 LEU 90 1HD2 LEU 90 11.233 -1.782 2.794 587 2HD2 LEU 90 2HD2 LEU 90 12.241 -3.094 3.405 588 3HD2 LEU 90 3HD2 LEU 90 11.877 -1.708 4.435 589 H ILE 91 H ILE 91 6.364 -1.106 5.484 590 HA ILE 91 HA ILE 91 5.466 0.694 3.431 591 HB ILE 91 HB ILE 91 4.047 -0.689 5.707 592 1HG1 ILE 91 2HG1 ILE 91 3.607 -1.059 2.753 593 2HG1 ILE 91 1HG1 ILE 91 4.888 -1.922 3.604 594 1HG2 ILE 91 1HG2 ILE 91 3.176 1.620 4.254 595 2HG2 ILE 91 2HG2 ILE 91 2.355 0.737 5.539 596 3HG2 ILE 91 3HG2 ILE 91 2.145 0.245 3.858 597 1HD1 ILE 91 1HD1 ILE 91 2.942 -3.318 3.422 598 2HD1 ILE 91 2HD1 ILE 91 1.936 -2.075 4.162 599 3HD1 ILE 91 3HD1 ILE 91 3.188 -2.877 5.111 600 H ALA 92 H ALA 92 5.667 0.783 6.981 601 HA ALA 92 HA ALA 92 4.695 3.436 7.182 602 1HB ALA 92 1HB ALA 92 4.752 3.136 9.420 603 2HB ALA 92 2HB ALA 92 6.322 2.332 9.381 604 3HB ALA 92 3HB ALA 92 4.865 1.444 8.935 605 H GLU 93 H GLU 93 7.617 2.347 6.036 606 HA GLU 93 HA GLU 93 9.014 4.753 7.005 607 1HB GLU 93 2HB GLU 93 11.106 3.623 6.616 608 2HB GLU 93 1HB GLU 93 10.080 2.610 7.621 609 1HG GLU 93 2HG GLU 93 10.144 0.951 6.160 610 2HG GLU 93 1HG GLU 93 9.714 2.016 4.823 611 H SER 94 H SER 94 7.364 3.692 4.377 612 HA SER 94 HA SER 94 9.062 4.376 2.236 613 1HB SER 94 2HB SER 94 6.042 4.519 2.292 614 2HB SER 94 1HB SER 94 7.065 4.381 0.861 615 HG SER 94 HG SER 94 6.428 2.458 2.797 616 H GLY 95 H GLY 95 7.483 6.292 4.545 617 1HA GLY 95 2HA GLY 95 7.998 8.603 4.794 618 2HA GLY 95 1HA GLY 95 8.262 8.700 3.059 619 H ASN 96 H ASN 96 6.906 10.463 2.776 620 HA ASN 96 HA ASN 96 4.212 10.486 3.725 621 1HB ASN 96 2HB ASN 96 5.571 12.192 1.629 622 2HB ASN 96 1HB ASN 96 3.976 12.503 2.307 623 1HD2 ASN 96 1HD2 ASN 96 4.171 12.209 4.892 624 2HD2 ASN 96 2HD2 ASN 96 5.373 13.250 5.584 625 H LYS 97 H LYS 97 5.675 8.819 1.213 626 HA LYS 97 HA LYS 97 3.066 8.292 0.002 627 1HB LYS 97 2HB LYS 97 5.322 9.613 -1.301 628 2HB LYS 97 1HB LYS 97 4.772 8.190 -2.175 629 1HG LYS 97 2HG LYS 97 2.414 9.416 -1.613 630 2HG LYS 97 1HG LYS 97 3.491 10.798 -1.817 631 1HD LYS 97 2HD LYS 97 3.284 8.538 -3.799 632 2HD LYS 97 1HD LYS 97 2.339 10.025 -3.911 633 1HE LYS 97 2HE LYS 97 5.207 10.463 -3.529 634 2HE LYS 97 1HE LYS 97 4.808 9.620 -5.025 635 1HZ LYS 97 1HZ LYS 97 3.306 11.402 -5.609 636 2HZ LYS 97 2HZ LYS 97 4.847 12.029 -5.310 637 3HZ LYS 97 3HZ LYS 97 3.627 12.201 -4.154 638 H LEU 98 H LEU 98 2.844 6.222 -0.899 639 HA LEU 98 HA LEU 98 5.123 4.401 -0.511 640 1HB LEU 98 2HB LEU 98 3.017 4.446 1.197 641 2HB LEU 98 1HB LEU 98 2.443 3.286 0.020 642 HG LEU 98 HG LEU 98 4.735 3.070 1.928 643 1HD1 LEU 98 1HD1 LEU 98 3.779 0.876 2.306 644 2HD1 LEU 98 2HD1 LEU 98 2.614 1.137 1.010 645 3HD1 LEU 98 3HD1 LEU 98 2.541 2.121 2.470 646 1HD2 LEU 98 1HD2 LEU 98 4.555 1.778 -0.778 647 2HD2 LEU 98 2HD2 LEU 98 5.389 0.997 0.565 648 3HD2 LEU 98 3HD2 LEU 98 5.934 2.570 -0.017 649 H ASP 99 H ASP 99 5.577 4.110 -2.654 650 HA ASP 99 HA ASP 99 3.417 3.362 -4.476 651 1HB ASP 99 2HB ASP 99 6.161 4.420 -4.771 652 2HB ASP 99 1HB ASP 99 5.687 3.231 -5.981 653 H LEU 100 H LEU 100 2.905 1.278 -4.695 654 HA LEU 100 HA LEU 100 5.030 -0.714 -4.756 655 1HB LEU 100 2HB LEU 100 3.809 -2.156 -3.125 656 2HB LEU 100 1HB LEU 100 4.554 -0.727 -2.435 657 HG LEU 100 HG LEU 100 2.046 0.197 -2.963 658 1HD1 LEU 100 1HD1 LEU 100 1.492 -2.483 -1.791 659 2HD1 LEU 100 2HD1 LEU 100 1.579 -2.311 -3.545 660 3HD1 LEU 100 3HD1 LEU 100 0.408 -1.369 -2.622 661 1HD2 LEU 100 1HD2 LEU 100 2.790 0.734 -0.890 662 2HD2 LEU 100 2HD2 LEU 100 3.440 -0.878 -0.583 663 3HD2 LEU 100 3HD2 LEU 100 1.707 -0.584 -0.442 664 H VAL 101 H VAL 101 4.403 -2.750 -5.590 665 HA VAL 101 HA VAL 101 1.923 -2.664 -7.183 666 HB VAL 101 HB VAL 101 4.386 -4.317 -7.756 667 1HG1 VAL 101 1HG1 VAL 101 1.804 -4.589 -8.680 668 2HG1 VAL 101 2HG1 VAL 101 3.258 -5.226 -9.453 669 3HG1 VAL 101 3HG1 VAL 101 2.599 -3.670 -9.958 670 1HG2 VAL 101 1HG2 VAL 101 3.772 -2.096 -9.565 671 2HG2 VAL 101 2HG2 VAL 101 5.321 -2.646 -8.925 672 3HG2 VAL 101 3HG2 VAL 101 4.289 -1.597 -7.953 673 H ILE 102 H ILE 102 0.403 -3.829 -6.174 674 HA ILE 102 HA ILE 102 1.207 -6.294 -4.787 675 HB ILE 102 HB ILE 102 -0.961 -6.167 -3.642 676 1HG1 ILE 102 2HG1 ILE 102 -2.091 -3.801 -3.922 677 2HG1 ILE 102 1HG1 ILE 102 -1.326 -3.855 -5.507 678 1HG2 ILE 102 1HG2 ILE 102 0.252 -5.077 -2.133 679 2HG2 ILE 102 2HG2 ILE 102 -0.336 -3.569 -2.833 680 3HG2 ILE 102 3HG2 ILE 102 1.190 -4.263 -3.385 681 1HD1 ILE 102 1HD1 ILE 102 -2.664 -5.535 -6.248 682 2HD1 ILE 102 2HD1 ILE 102 -3.767 -4.743 -5.123 683 3HD1 ILE 102 3HD1 ILE 102 -2.910 -6.206 -4.637 684 H SER 103 H SER 103 -0.417 -8.079 -4.835 685 HA SER 103 HA SER 103 -1.859 -8.244 -7.391 686 1HB SER 103 2HB SER 103 -0.963 -10.366 -7.928 687 2HB SER 103 1HB SER 103 0.430 -9.405 -7.434 688 HG SER 103 HG SER 103 0.584 -11.327 -6.367 689 H ARG 104 H ARG 104 -3.888 -8.988 -7.174 690 HA ARG 104 HA ARG 104 -4.554 -10.498 -4.733 691 1HB ARG 104 2HB ARG 104 -5.383 -8.284 -4.373 692 2HB ARG 104 1HB ARG 104 -6.075 -8.212 -5.985 693 1HG ARG 104 2HG ARG 104 -7.481 -10.259 -5.126 694 2HG ARG 104 1HG ARG 104 -7.082 -9.581 -3.549 695 1HD ARG 104 2HD ARG 104 -9.093 -8.554 -4.070 696 2HD ARG 104 1HD ARG 104 -7.895 -7.351 -4.547 697 HE ARG 104 HE ARG 104 -8.230 -8.552 -6.854 698 1HH1 ARG 104 1HH1 ARG 104 -10.678 -7.703 -4.507 699 2HH1 ARG 104 2HH1 ARG 104 -11.923 -7.518 -5.695 700 1HH2 ARG 104 1HH2 ARG 104 -9.871 -8.305 -8.409 701 2HH2 ARG 104 2HH2 ARG 104 -11.468 -7.858 -7.906 702 H ASN 105 H ASN 105 -5.815 -12.246 -4.967 703 HA ASN 105 HA ASN 105 -6.594 -13.005 -7.681 704 1HB ASN 105 2HB ASN 105 -6.908 -15.271 -6.665 705 2HB ASN 105 1HB ASN 105 -5.266 -14.650 -6.519 706 1HD2 ASN 105 1HD2 ASN 105 -4.528 -13.944 -4.504 707 2HD2 ASN 105 2HD2 ASN 105 -5.301 -14.436 -3.033 708 HA PRO 106 HA PRO 106 -10.763 -11.906 -6.316 709 1HB PRO 106 2HB PRO 106 -11.924 -11.931 -8.740 710 2HB PRO 106 1HB PRO 106 -10.865 -10.610 -8.228 711 1HG PRO 106 2HG PRO 106 -10.246 -12.965 -9.974 712 2HG PRO 106 1HG PRO 106 -9.799 -11.262 -10.195 713 1HD PRO 106 2HD PRO 106 -8.099 -13.136 -9.177 714 2HD PRO 106 1HD PRO 106 -8.019 -11.414 -8.752 Start of MODEL 13 1 1H SER 16 1HT SER 16 -13.378 -16.919 -10.500 2 2H SER 16 2HT SER 16 -13.799 -15.838 -11.763 3 3H SER 16 3HT SER 16 -13.774 -15.292 -10.134 4 HA SER 16 HA SER 16 -11.842 -14.475 -10.942 5 1HB SER 16 2HB SER 16 -10.132 -16.419 -10.163 6 2HB SER 16 1HB SER 16 -11.049 -15.432 -9.024 7 HG SER 16 HG SER 16 -11.090 -17.951 -9.034 8 HA PRO 17 HA PRO 17 -11.572 -16.644 -15.068 9 1HB PRO 17 2HB PRO 17 -10.961 -13.847 -15.841 10 2HB PRO 17 1HB PRO 17 -12.064 -15.006 -16.588 11 1HG PRO 17 2HG PRO 17 -12.995 -12.954 -15.158 12 2HG PRO 17 1HG PRO 17 -13.773 -14.547 -15.089 13 1HD PRO 17 2HD PRO 17 -11.928 -13.248 -13.122 14 2HD PRO 17 1HD PRO 17 -13.374 -14.238 -12.830 15 H THR 18 H THR 18 -9.508 -14.614 -13.180 16 HA THR 18 HA THR 18 -7.187 -15.939 -14.248 17 HB THR 18 HB THR 18 -7.198 -12.934 -14.097 18 HG1 THR 18 1HG THR 18 -8.604 -13.400 -15.733 19 1HG2 THR 18 1HG2 THR 18 -5.298 -13.201 -15.709 20 2HG2 THR 18 2HG2 THR 18 -5.321 -14.923 -15.324 21 3HG2 THR 18 3HG2 THR 18 -4.988 -13.739 -14.059 22 HA PRO 19 HA PRO 19 -5.933 -16.050 -10.023 23 1HB PRO 19 2HB PRO 19 -3.221 -15.360 -11.052 24 2HB PRO 19 1HB PRO 19 -3.724 -16.693 -10.005 25 1HG PRO 19 2HG PRO 19 -3.154 -17.132 -12.565 26 2HG PRO 19 1HG PRO 19 -4.510 -17.966 -11.783 27 1HD PRO 19 2HD PRO 19 -4.535 -15.661 -13.675 28 2HD PRO 19 1HD PRO 19 -5.666 -17.022 -13.543 29 H VAL 20 H VAL 20 -4.163 -14.691 -8.624 30 HA VAL 20 HA VAL 20 -5.249 -12.279 -8.018 31 HB VAL 20 HB VAL 20 -3.142 -11.656 -6.933 32 1HG1 VAL 20 1HG1 VAL 20 -2.841 -14.076 -5.808 33 2HG1 VAL 20 2HG1 VAL 20 -4.387 -14.311 -6.622 34 3HG1 VAL 20 3HG1 VAL 20 -4.193 -13.000 -5.457 35 1HG2 VAL 20 1HG2 VAL 20 -1.314 -12.214 -8.133 36 2HG2 VAL 20 2HG2 VAL 20 -2.067 -13.657 -8.812 37 3HG2 VAL 20 3HG2 VAL 20 -1.396 -13.696 -7.181 38 H GLU 21 H GLU 21 -5.300 -10.294 -8.842 39 HA GLU 21 HA GLU 21 -3.570 -9.700 -11.145 40 1HB GLU 21 2HB GLU 21 -6.325 -9.463 -10.860 41 2HB GLU 21 1HB GLU 21 -5.747 -7.818 -10.637 42 1HG GLU 21 2HG GLU 21 -4.608 -9.290 -12.920 43 2HG GLU 21 1HG GLU 21 -6.322 -8.891 -13.024 44 H LEU 22 H LEU 22 -1.937 -8.317 -10.795 45 HA LEU 22 HA LEU 22 -2.026 -6.731 -8.352 46 1HB LEU 22 2HB LEU 22 0.394 -6.475 -8.612 47 2HB LEU 22 1HB LEU 22 -0.103 -8.155 -8.534 48 HG LEU 22 HG LEU 22 -0.073 -7.925 -11.161 49 1HD1 LEU 22 1HD1 LEU 22 2.302 -6.262 -10.786 50 2HD1 LEU 22 2HD1 LEU 22 0.783 -5.412 -10.510 51 3HD1 LEU 22 3HD1 LEU 22 1.073 -6.218 -12.051 52 1HD2 LEU 22 1HD2 LEU 22 2.644 -8.118 -10.020 53 2HD2 LEU 22 2HD2 LEU 22 1.775 -9.229 -11.078 54 3HD2 LEU 22 3HD2 LEU 22 1.428 -9.207 -9.350 55 H HIS 23 H HIS 23 -1.350 -4.565 -8.283 56 HA HIS 23 HA HIS 23 -1.239 -3.109 -10.805 57 1HB HIS 23 2HB HIS 23 -2.989 -1.557 -10.181 58 2HB HIS 23 1HB HIS 23 -3.637 -3.192 -10.148 59 HD1 HIS 23 1HD HIS 23 -2.969 -0.247 -8.007 60 HD2 HIS 23 2HD HIS 23 -4.229 -4.180 -7.546 61 HE1 HIS 23 1HE HIS 23 -3.916 -0.383 -5.683 62 HE2 HIS 23 2HE HIS 23 -4.779 -2.738 -5.473 63 H LYS 24 H LYS 24 -0.344 -1.005 -10.618 64 HA LYS 24 HA LYS 24 1.563 -0.770 -8.477 65 1HB LYS 24 2HB LYS 24 1.605 -0.016 -11.080 66 2HB LYS 24 1HB LYS 24 1.183 1.512 -10.319 67 1HG LYS 24 2HG LYS 24 3.170 1.525 -9.030 68 2HG LYS 24 1HG LYS 24 3.534 -0.148 -9.459 69 1HD LYS 24 2HD LYS 24 3.255 1.855 -11.644 70 2HD LYS 24 1HD LYS 24 4.725 1.872 -10.668 71 1HE LYS 24 2HE LYS 24 4.079 -0.822 -11.410 72 2HE LYS 24 1HE LYS 24 4.114 0.199 -12.846 73 1HZ LYS 24 1HZ LYS 24 6.318 1.028 -11.664 74 2HZ LYS 24 2HZ LYS 24 6.300 -0.297 -12.715 75 3HZ LYS 24 3HZ LYS 24 6.278 -0.545 -11.042 76 H VAL 25 H VAL 25 0.767 -0.175 -6.554 77 HA VAL 25 HA VAL 25 -1.229 1.963 -6.430 78 HB VAL 25 HB VAL 25 -0.443 0.817 -3.867 79 1HG1 VAL 25 1HG1 VAL 25 -3.048 0.344 -4.042 80 2HG1 VAL 25 2HG1 VAL 25 -2.907 1.523 -5.345 81 3HG1 VAL 25 3HG1 VAL 25 -2.398 1.951 -3.712 82 1HG2 VAL 25 1HG2 VAL 25 -1.815 -1.324 -4.422 83 2HG2 VAL 25 2HG2 VAL 25 -0.097 -1.265 -4.814 84 3HG2 VAL 25 3HG2 VAL 25 -1.299 -1.006 -6.078 85 H THR 26 H THR 26 -0.940 3.822 -5.273 86 HA THR 26 HA THR 26 1.705 4.312 -4.105 87 HB THR 26 HB THR 26 0.269 6.132 -6.054 88 HG1 THR 26 1HG THR 26 1.572 4.316 -6.858 89 1HG2 THR 26 1HG2 THR 26 2.789 6.605 -4.484 90 2HG2 THR 26 2HG2 THR 26 1.299 7.548 -4.437 91 3HG2 THR 26 3HG2 THR 26 2.299 7.551 -5.891 92 H LEU 27 H LEU 27 1.180 4.577 -2.007 93 HA LEU 27 HA LEU 27 -1.202 6.169 -1.351 94 1HB LEU 27 2HB LEU 27 0.392 4.439 0.528 95 2HB LEU 27 1HB LEU 27 -1.206 5.111 0.787 96 HG LEU 27 HG LEU 27 -1.399 3.535 -1.541 97 1HD1 LEU 27 1HD1 LEU 27 -0.572 1.402 -0.938 98 2HD1 LEU 27 2HD1 LEU 27 -0.129 1.951 0.678 99 3HD1 LEU 27 3HD1 LEU 27 0.764 2.533 -0.728 100 1HD2 LEU 27 1HD2 LEU 27 -3.194 2.702 -0.466 101 2HD2 LEU 27 2HD2 LEU 27 -2.868 4.012 0.667 102 3HD2 LEU 27 3HD2 LEU 27 -2.295 2.381 1.017 103 H TYR 28 H TYR 28 -0.929 7.295 0.880 104 HA TYR 28 HA TYR 28 1.680 8.641 1.011 105 1HB TYR 28 2HB TYR 28 -0.907 10.133 1.414 106 2HB TYR 28 1HB TYR 28 0.705 10.791 1.148 107 HD1 TYR 28 1HD TYR 28 -1.890 8.720 -0.560 108 HD2 TYR 28 2HD TYR 28 1.286 11.518 -0.975 109 HE1 TYR 28 1HE TYR 28 -2.371 8.899 -2.965 110 HE2 TYR 28 2HE TYR 28 0.815 11.707 -3.381 111 HH TYR 28 HH TYR 28 -1.253 11.332 -4.888 112 H LYS 29 H LYS 29 2.161 9.591 3.101 113 HA LYS 29 HA LYS 29 0.608 8.337 5.275 114 1HB LYS 29 2HB LYS 29 3.170 7.728 4.683 115 2HB LYS 29 1HB LYS 29 3.428 9.059 5.800 116 1HG LYS 29 2HG LYS 29 1.457 7.211 6.815 117 2HG LYS 29 1HG LYS 29 2.978 6.398 6.444 118 1HD LYS 29 2HD LYS 29 4.063 7.403 8.135 119 2HD LYS 29 1HD LYS 29 3.294 8.961 7.828 120 1HE LYS 29 2HE LYS 29 2.601 8.219 9.988 121 2HE LYS 29 1HE LYS 29 1.225 8.063 8.898 122 1HZ LYS 29 1HZ LYS 29 1.461 6.121 10.314 123 2HZ LYS 29 2HZ LYS 29 3.026 5.852 9.730 124 3HZ LYS 29 3HZ LYS 29 1.698 5.704 8.691 125 H ASP 30 H ASP 30 0.343 9.483 7.208 126 HA ASP 30 HA ASP 30 0.800 12.385 6.966 127 1HB ASP 30 2HB ASP 30 -1.506 10.808 8.047 128 2HB ASP 30 1HB ASP 30 -1.175 12.409 8.700 129 H SER 31 H SER 31 1.313 13.548 8.883 130 HA SER 31 HA SER 31 3.201 12.274 10.534 131 1HB SER 31 2HB SER 31 1.842 14.957 10.642 132 2HB SER 31 1HB SER 31 2.967 14.452 11.902 133 HG SER 31 HG SER 31 4.445 14.017 10.060 134 H GLY 32 H GLY 32 -0.230 12.729 10.849 135 1HA GLY 32 2HA GLY 32 -0.124 11.856 13.656 136 2HA GLY 32 1HA GLY 32 -1.504 12.609 12.875 137 H MET 33 H MET 33 -0.306 10.392 10.728 138 HA MET 33 HA MET 33 -2.469 8.566 11.286 139 1HB MET 33 2HB MET 33 -0.612 9.077 9.050 140 2HB MET 33 1HB MET 33 -1.106 7.400 9.243 141 1HG MET 33 2HG MET 33 -2.952 9.759 8.938 142 2HG MET 33 1HG MET 33 -2.546 8.588 7.684 143 1HE MET 33 1HE MET 33 -5.358 9.641 9.116 144 2HE MET 33 2HE MET 33 -6.355 8.186 9.164 145 3HE MET 33 3HE MET 33 -5.501 8.623 7.684 146 H GLU 34 H GLU 34 -2.336 6.768 12.444 147 HA GLU 34 HA GLU 34 0.168 5.930 13.566 148 1HB GLU 34 2HB GLU 34 -2.408 5.791 14.423 149 2HB GLU 34 1HB GLU 34 -2.159 4.144 13.860 150 1HG GLU 34 2HG GLU 34 -1.568 4.040 16.091 151 2HG GLU 34 1HG GLU 34 -0.016 4.205 15.273 152 H ASP 35 H ASP 35 -1.413 5.259 10.689 153 HA ASP 35 HA ASP 35 0.441 3.137 10.068 154 1HB ASP 35 2HB ASP 35 -1.917 2.289 11.104 155 2HB ASP 35 1HB ASP 35 -2.339 2.379 9.396 156 H PHE 36 H PHE 36 -0.655 2.225 7.711 157 HA PHE 36 HA PHE 36 -0.679 4.693 6.118 158 1HB PHE 36 2HB PHE 36 0.817 2.308 5.880 159 2HB PHE 36 1HB PHE 36 -0.287 2.348 4.508 160 HD1 PHE 36 1HD PHE 36 2.756 3.589 5.878 161 HD2 PHE 36 2HD PHE 36 -0.339 4.465 3.094 162 HE1 PHE 36 1HE PHE 36 4.240 5.189 4.741 163 HE2 PHE 36 2HE PHE 36 1.139 6.066 1.949 164 HZ PHE 36 HZ PHE 36 3.432 6.430 2.772 165 H GLY 37 H GLY 37 -2.991 3.129 7.427 166 1HA GLY 37 2HA GLY 37 -5.244 3.248 6.789 167 2HA GLY 37 1HA GLY 37 -4.742 3.392 5.115 168 H PHE 38 H PHE 38 -3.093 0.843 6.575 169 HA PHE 38 HA PHE 38 -5.057 -1.173 6.532 170 1HB PHE 38 2HB PHE 38 -4.652 -2.282 4.465 171 2HB PHE 38 1HB PHE 38 -5.008 -0.602 4.096 172 HD1 PHE 38 1HD PHE 38 -3.045 0.947 3.595 173 HD2 PHE 38 2HD PHE 38 -2.710 -3.293 3.713 174 HE1 PHE 38 1HE PHE 38 -0.985 1.073 2.253 175 HE2 PHE 38 2HE PHE 38 -0.651 -3.176 2.377 176 HZ PHE 38 HZ PHE 38 0.212 -0.993 1.638 177 H SER 39 H SER 39 -4.289 -3.169 7.161 178 HA SER 39 HA SER 39 -1.412 -3.271 7.785 179 1HB SER 39 2HB SER 39 -3.395 -4.913 9.307 180 2HB SER 39 1HB SER 39 -1.857 -4.235 9.841 181 HG SER 39 HG SER 39 -4.171 -3.260 10.364 182 H VAL 40 H VAL 40 -0.321 -5.219 7.468 183 HA VAL 40 HA VAL 40 -1.691 -7.076 5.649 184 HB VAL 40 HB VAL 40 0.534 -7.760 4.896 185 1HG1 VAL 40 1HG1 VAL 40 -0.337 -6.107 3.532 186 2HG1 VAL 40 2HG1 VAL 40 1.226 -5.430 3.990 187 3HG1 VAL 40 3HG1 VAL 40 -0.244 -4.875 4.790 188 1HG2 VAL 40 1HG2 VAL 40 2.224 -7.484 6.334 189 2HG2 VAL 40 2HG2 VAL 40 1.360 -6.243 7.239 190 3HG2 VAL 40 3HG2 VAL 40 2.265 -5.805 5.792 191 H ALA 41 H ALA 41 -0.742 -9.357 5.715 192 HA ALA 41 HA ALA 41 -0.266 -10.207 8.491 193 1HB ALA 41 1HB ALA 41 -1.678 -12.299 7.601 194 2HB ALA 41 2HB ALA 41 -2.435 -11.019 6.653 195 3HB ALA 41 3HB ALA 41 -2.416 -10.918 8.413 196 H ASP 42 H ASP 42 0.268 -12.717 8.401 197 HA ASP 42 HA ASP 42 2.570 -12.930 6.631 198 1HB ASP 42 2HB ASP 42 3.085 -14.961 8.015 199 2HB ASP 42 1HB ASP 42 2.996 -13.462 8.934 200 H GLY 43 H GLY 43 2.654 -14.166 4.877 201 1HA GLY 43 2HA GLY 43 0.315 -15.819 4.246 202 2HA GLY 43 1HA GLY 43 1.504 -15.231 3.094 203 H LEU 44 H LEU 44 0.588 -17.781 5.182 204 HA LEU 44 HA LEU 44 3.148 -19.142 4.883 205 1HB LEU 44 2HB LEU 44 1.254 -19.091 6.911 206 2HB LEU 44 1HB LEU 44 1.050 -20.674 6.181 207 HG LEU 44 HG LEU 44 2.591 -20.782 8.061 208 1HD1 LEU 44 1HD1 LEU 44 2.931 -21.978 5.697 209 2HD1 LEU 44 2HD1 LEU 44 4.018 -22.226 7.063 210 3HD1 LEU 44 3HD1 LEU 44 4.453 -21.092 5.786 211 1HD2 LEU 44 1HD2 LEU 44 3.821 -18.487 6.664 212 2HD2 LEU 44 2HD2 LEU 44 4.923 -19.637 7.421 213 3HD2 LEU 44 3HD2 LEU 44 3.688 -18.830 8.389 214 H LEU 45 H LEU 45 -0.018 -19.129 3.577 215 HA LEU 45 HA LEU 45 0.180 -21.760 2.404 216 1HB LEU 45 2HB LEU 45 -1.851 -19.557 2.280 217 2HB LEU 45 1HB LEU 45 -1.944 -20.927 1.190 218 HG LEU 45 HG LEU 45 -1.941 -22.403 3.266 219 1HD1 LEU 45 1HD1 LEU 45 -1.330 -21.231 5.100 220 2HD1 LEU 45 2HD1 LEU 45 -3.062 -20.911 5.181 221 3HD1 LEU 45 3HD1 LEU 45 -1.975 -19.710 4.481 222 1HD2 LEU 45 1HD2 LEU 45 -4.373 -20.737 3.399 223 2HD2 LEU 45 2HD2 LEU 45 -4.197 -22.476 3.168 224 3HD2 LEU 45 3HD2 LEU 45 -3.951 -21.376 1.811 225 H GLU 46 H GLU 46 1.344 -18.708 1.631 226 HA GLU 46 HA GLU 46 2.144 -19.614 -1.000 227 1HB GLU 46 2HB GLU 46 0.946 -16.892 -0.994 228 2HB GLU 46 1HB GLU 46 1.062 -18.064 -2.298 229 1HG GLU 46 2HG GLU 46 -0.717 -19.390 -1.184 230 2HG GLU 46 1HG GLU 46 -0.883 -18.092 -0.003 231 H LYS 47 H LYS 47 3.486 -19.019 1.475 232 HA LYS 47 HA LYS 47 5.018 -17.539 2.443 233 1HB LYS 47 2HB LYS 47 7.119 -17.693 1.134 234 2HB LYS 47 1HB LYS 47 6.297 -19.235 1.321 235 1HG LYS 47 2HG LYS 47 6.527 -19.487 -0.868 236 2HG LYS 47 1HG LYS 47 5.290 -18.244 -1.052 237 1HD LYS 47 2HD LYS 47 7.466 -16.698 -0.682 238 2HD LYS 47 1HD LYS 47 8.206 -18.097 -1.465 239 1HE LYS 47 2HE LYS 47 5.813 -16.614 -2.540 240 2HE LYS 47 1HE LYS 47 7.475 -16.310 -3.043 241 1HZ LYS 47 1HZ LYS 47 6.112 -18.937 -3.280 242 2HZ LYS 47 2HZ LYS 47 7.636 -18.526 -3.890 243 3HZ LYS 47 3HZ LYS 47 6.245 -17.816 -4.540 244 H GLY 48 H GLY 48 4.135 -15.480 2.581 245 1HA GLY 48 2HA GLY 48 5.464 -13.406 1.302 246 2HA GLY 48 1HA GLY 48 3.987 -13.680 0.390 247 H VAL 49 H VAL 49 3.506 -11.452 1.053 248 HA VAL 49 HA VAL 49 2.087 -11.453 3.617 249 HB VAL 49 HB VAL 49 4.026 -9.318 2.716 250 1HG1 VAL 49 1HG1 VAL 49 2.043 -9.223 4.989 251 2HG1 VAL 49 2HG1 VAL 49 2.028 -8.217 3.540 252 3HG1 VAL 49 3HG1 VAL 49 3.333 -8.053 4.715 253 1HG2 VAL 49 1HG2 VAL 49 4.150 -10.295 5.459 254 2HG2 VAL 49 2HG2 VAL 49 5.434 -10.098 4.268 255 3HG2 VAL 49 3HG2 VAL 49 4.438 -11.552 4.259 256 H TYR 50 H TYR 50 0.100 -10.590 3.492 257 HA TYR 50 HA TYR 50 -0.548 -8.888 1.188 258 1HB TYR 50 2HB TYR 50 -2.804 -10.537 1.977 259 2HB TYR 50 1HB TYR 50 -2.101 -10.292 0.383 260 HD1 TYR 50 1HD TYR 50 -2.943 -12.736 2.624 261 HD2 TYR 50 2HD TYR 50 0.365 -11.515 0.245 262 HE1 TYR 50 1HE TYR 50 -2.078 -15.033 2.657 263 HE2 TYR 50 2HE TYR 50 1.240 -13.808 0.271 264 HH TYR 50 HH TYR 50 -0.030 -16.260 0.626 265 H VAL 51 H VAL 51 -2.604 -7.677 1.490 266 HA VAL 51 HA VAL 51 -2.606 -6.411 4.048 267 HB VAL 51 HB VAL 51 -4.540 -6.088 1.745 268 1HG1 VAL 51 1HG1 VAL 51 -4.327 -4.805 4.397 269 2HG1 VAL 51 2HG1 VAL 51 -5.732 -5.042 3.360 270 3HG1 VAL 51 3HG1 VAL 51 -4.603 -3.728 3.029 271 1HG2 VAL 51 1HG2 VAL 51 -2.368 -5.507 0.987 272 2HG2 VAL 51 2HG2 VAL 51 -2.001 -4.646 2.481 273 3HG2 VAL 51 3HG2 VAL 51 -3.191 -3.992 1.355 274 H LYS 52 H LYS 52 -3.683 -6.997 5.798 275 HA LYS 52 HA LYS 52 -5.678 -9.087 5.635 276 1HB LYS 52 2HB LYS 52 -5.587 -8.995 8.130 277 2HB LYS 52 1HB LYS 52 -4.039 -9.329 7.369 278 1HG LYS 52 2HG LYS 52 -3.130 -7.365 8.032 279 2HG LYS 52 1HG LYS 52 -4.665 -6.498 7.945 280 1HD LYS 52 2HD LYS 52 -3.929 -6.692 10.254 281 2HD LYS 52 1HD LYS 52 -5.403 -7.629 9.997 282 1HE LYS 52 2HE LYS 52 -3.454 -9.466 9.455 283 2HE LYS 52 1HE LYS 52 -2.710 -8.511 10.736 284 1HZ LYS 52 1HZ LYS 52 -4.336 -10.552 11.197 285 2HZ LYS 52 2HZ LYS 52 -5.474 -9.301 11.166 286 3HZ LYS 52 3HZ LYS 52 -4.183 -9.242 12.257 287 H ASN 53 H ASN 53 -5.496 -5.689 6.280 288 HA ASN 53 HA ASN 53 -8.333 -5.409 5.952 289 1HB ASN 53 2HB ASN 53 -7.096 -5.177 8.671 290 2HB ASN 53 1HB ASN 53 -8.462 -4.150 8.249 291 1HD2 ASN 53 1HD2 ASN 53 -7.419 -7.290 9.110 292 2HD2 ASN 53 2HD2 ASN 53 -8.978 -8.048 9.134 293 H ILE 54 H ILE 54 -8.972 -3.320 5.506 294 HA ILE 54 HA ILE 54 -6.858 -1.272 5.489 295 HB ILE 54 HB ILE 54 -8.936 -1.640 3.337 296 1HG1 ILE 54 2HG1 ILE 54 -6.231 -2.795 3.700 297 2HG1 ILE 54 1HG1 ILE 54 -7.618 -3.431 2.828 298 1HG2 ILE 54 1HG2 ILE 54 -8.072 0.189 2.287 299 2HG2 ILE 54 2HG2 ILE 54 -6.459 -0.043 2.961 300 3HG2 ILE 54 3HG2 ILE 54 -7.740 0.645 3.957 301 1HD1 ILE 54 1HD1 ILE 54 -5.438 -1.647 1.891 302 2HD1 ILE 54 2HD1 ILE 54 -7.033 -1.485 1.156 303 3HD1 ILE 54 3HD1 ILE 54 -6.189 -3.033 1.101 304 H ARG 55 H ARG 55 -7.431 0.683 6.266 305 HA ARG 55 HA ARG 55 -9.862 1.004 7.658 306 1HB ARG 55 2HB ARG 55 -7.408 2.308 7.580 307 2HB ARG 55 1HB ARG 55 -8.544 3.516 6.996 308 1HG ARG 55 2HG ARG 55 -9.264 3.908 9.052 309 2HG ARG 55 1HG ARG 55 -9.634 2.199 9.295 310 1HD ARG 55 2HD ARG 55 -7.470 1.744 10.114 311 2HD ARG 55 1HD ARG 55 -6.843 3.288 9.538 312 HE ARG 55 HE ARG 55 -8.739 4.031 11.308 313 1HH1 ARG 55 1HH1 ARG 55 -6.054 1.812 11.511 314 2HH1 ARG 55 2HH1 ARG 55 -5.808 2.070 13.205 315 1HH2 ARG 55 1HH2 ARG 55 -8.415 4.374 13.537 316 2HH2 ARG 55 2HH2 ARG 55 -7.146 3.524 14.355 317 HA PRO 56 HA PRO 56 -12.554 2.435 4.453 318 1HB PRO 56 2HB PRO 56 -14.369 3.797 5.930 319 2HB PRO 56 1HB PRO 56 -14.279 2.032 5.921 320 1HG PRO 56 2HG PRO 56 -13.190 3.975 7.923 321 2HG PRO 56 1HG PRO 56 -14.042 2.444 8.198 322 1HD PRO 56 2HD PRO 56 -11.346 2.670 8.363 323 2HD PRO 56 1HD PRO 56 -12.151 1.182 7.829 324 H ALA 57 H ALA 57 -12.823 4.179 3.147 325 HA ALA 57 HA ALA 57 -12.128 6.150 2.188 326 1HB ALA 57 1HB ALA 57 -13.232 7.370 4.701 327 2HB ALA 57 2HB ALA 57 -14.257 6.602 3.488 328 3HB ALA 57 3HB ALA 57 -13.281 8.006 3.056 329 H GLY 58 H GLY 58 -10.022 4.926 3.741 330 1HA GLY 58 2HA GLY 58 -8.639 7.312 4.792 331 2HA GLY 58 1HA GLY 58 -8.278 5.658 5.266 332 HA PRO 59 HA PRO 59 -5.066 7.170 2.169 333 1HB PRO 59 2HB PRO 59 -3.564 5.231 3.864 334 2HB PRO 59 1HB PRO 59 -3.056 6.800 3.228 335 1HG PRO 59 2HG PRO 59 -3.717 6.530 5.791 336 2HG PRO 59 1HG PRO 59 -4.177 7.982 4.881 337 1HD PRO 59 2HD PRO 59 -5.852 5.657 5.715 338 2HD PRO 59 1HD PRO 59 -6.282 7.375 5.598 339 H GLY 60 H GLY 60 -5.736 3.939 3.481 340 1HA GLY 60 2HA GLY 60 -4.724 2.563 1.184 341 2HA GLY 60 1HA GLY 60 -5.659 1.856 2.493 342 H ASP 61 H ASP 61 -7.924 3.623 2.225 343 HA ASP 61 HA ASP 61 -9.324 2.214 0.172 344 1HB ASP 61 2HB ASP 61 -10.257 3.079 2.412 345 2HB ASP 61 1HB ASP 61 -10.359 4.646 1.618 346 H LEU 62 H LEU 62 -7.880 5.372 0.524 347 HA LEU 62 HA LEU 62 -9.057 6.449 -1.852 348 1HB LEU 62 2HB LEU 62 -6.773 7.387 -0.125 349 2HB LEU 62 1HB LEU 62 -7.369 8.279 -1.512 350 HG LEU 62 HG LEU 62 -9.065 7.572 0.880 351 1HD1 LEU 62 1HD1 LEU 62 -6.988 9.280 0.997 352 2HD1 LEU 62 2HD1 LEU 62 -8.476 9.480 1.923 353 3HD1 LEU 62 3HD1 LEU 62 -8.251 10.362 0.412 354 1HD2 LEU 62 1HD2 LEU 62 -10.780 8.607 -0.140 355 2HD2 LEU 62 2HD2 LEU 62 -9.880 8.243 -1.614 356 3HD2 LEU 62 3HD2 LEU 62 -9.743 9.835 -0.867 357 H GLY 63 H GLY 63 -6.134 4.733 -1.031 358 1HA GLY 63 2HA GLY 63 -4.715 5.332 -3.435 359 2HA GLY 63 1HA GLY 63 -4.340 4.042 -2.301 360 H GLY 64 H GLY 64 -6.593 2.497 -2.372 361 1HA GLY 64 2HA GLY 64 -8.078 1.512 -4.084 362 2HA GLY 64 1HA GLY 64 -6.746 1.698 -5.216 363 H LEU 65 H LEU 65 -6.451 0.569 -1.894 364 HA LEU 65 HA LEU 65 -5.243 -1.890 -2.878 365 1HB LEU 65 2HB LEU 65 -5.466 -0.717 -0.108 366 2HB LEU 65 1HB LEU 65 -4.679 -2.243 -0.467 367 HG LEU 65 HG LEU 65 -3.765 0.227 -1.876 368 1HD1 LEU 65 1HD1 LEU 65 -3.784 0.989 0.376 369 2HD1 LEU 65 2HD1 LEU 65 -2.121 0.543 -0.010 370 3HD1 LEU 65 3HD1 LEU 65 -3.121 -0.537 0.962 371 1HD2 LEU 65 1HD2 LEU 65 -2.605 -2.420 -1.085 372 2HD2 LEU 65 2HD2 LEU 65 -1.563 -1.057 -1.501 373 3HD2 LEU 65 3HD2 LEU 65 -2.710 -1.684 -2.685 374 H LYS 66 H LYS 66 -6.305 -3.750 -3.002 375 HA LYS 66 HA LYS 66 -8.891 -3.981 -1.631 376 1HB LYS 66 2HB LYS 66 -7.726 -5.432 -4.005 377 2HB LYS 66 1HB LYS 66 -9.221 -5.924 -3.223 378 1HG LYS 66 2HG LYS 66 -9.739 -4.605 -5.155 379 2HG LYS 66 1HG LYS 66 -10.164 -3.690 -3.707 380 1HD LYS 66 2HD LYS 66 -8.487 -2.162 -4.013 381 2HD LYS 66 1HD LYS 66 -7.447 -3.312 -4.860 382 1HE LYS 66 2HE LYS 66 -8.061 -2.137 -6.680 383 2HE LYS 66 1HE LYS 66 -9.508 -3.141 -6.596 384 1HZ LYS 66 1HZ LYS 66 -10.221 -0.915 -6.811 385 2HZ LYS 66 2HZ LYS 66 -9.169 -0.368 -5.606 386 3HZ LYS 66 3HZ LYS 66 -10.495 -1.333 -5.195 387 HA PRO 67 HA PRO 67 -7.671 -7.017 1.308 388 1HB PRO 67 2HB PRO 67 -9.756 -8.807 0.156 389 2HB PRO 67 1HB PRO 67 -9.502 -8.307 1.831 390 1HG PRO 67 2HG PRO 67 -11.469 -7.250 0.384 391 2HG PRO 67 1HG PRO 67 -10.536 -6.257 1.519 392 1HD PRO 67 2HD PRO 67 -10.394 -6.378 -1.459 393 2HD PRO 67 1HD PRO 67 -10.180 -4.990 -0.372 394 H TYR 68 H TYR 68 -6.120 -8.522 1.367 395 HA TYR 68 HA TYR 68 -4.876 -10.378 0.814 396 1HB TYR 68 2HB TYR 68 -6.255 -10.547 -1.861 397 2HB TYR 68 1HB TYR 68 -5.402 -11.815 -0.988 398 HD1 TYR 68 1HD TYR 68 -6.497 -11.967 1.594 399 HD2 TYR 68 2HD TYR 68 -8.507 -10.979 -2.024 400 HE1 TYR 68 1HE TYR 68 -8.621 -12.728 2.572 401 HE2 TYR 68 2HE TYR 68 -10.637 -11.735 -1.056 402 HH TYR 68 HH TYR 68 -11.150 -13.585 1.042 403 H ASP 69 H ASP 69 -4.844 -7.422 -0.338 404 HA ASP 69 HA ASP 69 -3.335 -7.327 -2.647 405 1HB ASP 69 2HB ASP 69 -3.822 -5.530 -0.360 406 2HB ASP 69 1HB ASP 69 -2.341 -5.208 -1.256 407 H ARG 70 H ARG 70 -1.879 -9.065 -2.598 408 HA ARG 70 HA ARG 70 0.139 -9.327 -0.607 409 1HB ARG 70 2HB ARG 70 -0.602 -11.249 -1.867 410 2HB ARG 70 1HB ARG 70 -0.132 -10.488 -3.380 411 1HG ARG 70 2HG ARG 70 2.244 -10.453 -2.261 412 2HG ARG 70 1HG ARG 70 1.561 -11.755 -1.286 413 1HD ARG 70 2HD ARG 70 0.926 -12.913 -3.396 414 2HD ARG 70 1HD ARG 70 1.781 -11.656 -4.289 415 HE ARG 70 HE ARG 70 3.785 -12.596 -3.657 416 1HH1 ARG 70 1HH1 ARG 70 1.185 -14.075 -1.856 417 2HH1 ARG 70 2HH1 ARG 70 2.181 -15.343 -1.225 418 1HH2 ARG 70 1HH2 ARG 70 5.093 -14.262 -2.825 419 2HH2 ARG 70 2HH2 ARG 70 4.397 -15.450 -1.774 420 H LEU 71 H LEU 71 1.352 -7.492 -0.388 421 HA LEU 71 HA LEU 71 2.260 -5.792 -2.370 422 1HB LEU 71 2HB LEU 71 3.450 -6.527 0.294 423 2HB LEU 71 1HB LEU 71 4.145 -5.286 -0.733 424 HG LEU 71 HG LEU 71 1.429 -4.625 -0.529 425 1HD1 LEU 71 1HD1 LEU 71 0.701 -4.945 1.574 426 2HD1 LEU 71 2HD1 LEU 71 2.311 -4.767 2.273 427 3HD1 LEU 71 3HD1 LEU 71 1.832 -6.299 1.544 428 1HD2 LEU 71 1HD2 LEU 71 3.325 -3.081 -0.687 429 2HD2 LEU 71 2HD2 LEU 71 3.798 -3.499 0.959 430 3HD2 LEU 71 3HD2 LEU 71 2.264 -2.678 0.663 431 H LEU 72 H LEU 72 3.282 -6.406 -4.155 432 HA LEU 72 HA LEU 72 5.136 -8.610 -4.161 433 1HB LEU 72 2HB LEU 72 4.293 -6.705 -6.339 434 2HB LEU 72 1HB LEU 72 5.359 -8.077 -6.580 435 HG LEU 72 HG LEU 72 3.160 -9.226 -5.376 436 1HD1 LEU 72 1HD1 LEU 72 2.339 -6.827 -6.917 437 2HD1 LEU 72 2HD1 LEU 72 1.593 -7.581 -5.508 438 3HD1 LEU 72 3HD1 LEU 72 1.388 -8.300 -7.106 439 1HD2 LEU 72 1HD2 LEU 72 2.960 -10.401 -7.349 440 2HD2 LEU 72 2HD2 LEU 72 4.612 -9.796 -7.465 441 3HD2 LEU 72 3HD2 LEU 72 3.314 -8.992 -8.349 442 H GLN 73 H GLN 73 5.435 -5.218 -5.240 443 HA GLN 73 HA GLN 73 8.179 -5.239 -4.195 444 1HB GLN 73 2HB GLN 73 7.357 -4.155 -6.893 445 2HB GLN 73 1HB GLN 73 8.964 -4.037 -6.189 446 1HG GLN 73 2HG GLN 73 9.215 -6.436 -6.264 447 2HG GLN 73 1HG GLN 73 7.565 -6.615 -6.857 448 1HE2 GLN 73 1HE2 GLN 73 10.215 -4.428 -7.729 449 2HE2 GLN 73 2HE2 GLN 73 10.235 -4.844 -9.413 450 H VAL 74 H VAL 74 8.688 -3.520 -3.015 451 HA VAL 74 HA VAL 74 6.881 -1.193 -3.101 452 HB VAL 74 HB VAL 74 8.598 -2.031 -0.764 453 1HG1 VAL 74 1HG1 VAL 74 6.723 -0.572 0.360 454 2HG1 VAL 74 2HG1 VAL 74 6.593 0.115 -1.260 455 3HG1 VAL 74 3HG1 VAL 74 8.129 0.182 -0.394 456 1HG2 VAL 74 1HG2 VAL 74 6.320 -3.350 -1.704 457 2HG2 VAL 74 2HG2 VAL 74 5.767 -2.372 -0.344 458 3HG2 VAL 74 3HG2 VAL 74 7.081 -3.526 -0.123 459 H ASN 75 H ASN 75 7.789 0.468 -4.125 460 HA ASN 75 HA ASN 75 9.283 2.074 -4.727 461 1HB ASN 75 2HB ASN 75 10.270 1.184 -2.103 462 2HB ASN 75 1HB ASN 75 11.501 1.917 -3.126 463 1HD2 ASN 75 1HD2 ASN 75 8.939 2.462 -1.021 464 2HD2 ASN 75 2HD2 ASN 75 8.783 4.174 -1.250 465 H HIS 76 H HIS 76 9.361 -0.625 -5.807 466 HA HIS 76 HA HIS 76 10.528 -1.518 -7.575 467 1HB HIS 76 2HB HIS 76 11.920 0.803 -7.304 468 2HB HIS 76 1HB HIS 76 13.168 -0.379 -6.922 469 HD1 HIS 76 1HD HIS 76 14.033 -1.845 -8.835 470 HD2 HIS 76 2HD HIS 76 10.963 0.717 -9.961 471 HE1 HIS 76 1HE HIS 76 13.977 -1.927 -11.346 472 HE2 HIS 76 2HE HIS 76 12.051 -0.440 -12.002 473 H VAL 77 H VAL 77 11.319 -1.676 -4.285 474 HA VAL 77 HA VAL 77 13.295 -3.771 -4.573 475 HB VAL 77 HB VAL 77 13.229 -2.066 -2.662 476 1HG1 VAL 77 1HG1 VAL 77 11.609 -2.079 -1.129 477 2HG1 VAL 77 2HG1 VAL 77 11.634 -3.836 -0.995 478 3HG1 VAL 77 3HG1 VAL 77 10.691 -3.062 -2.267 479 1HG2 VAL 77 1HG2 VAL 77 14.583 -3.431 -1.483 480 2HG2 VAL 77 2HG2 VAL 77 14.371 -4.490 -2.878 481 3HG2 VAL 77 3HG2 VAL 77 13.398 -4.737 -1.427 482 H ARG 78 H ARG 78 13.015 -5.941 -4.156 483 HA ARG 78 HA ARG 78 10.440 -7.014 -4.700 484 1HB ARG 78 2HB ARG 78 13.161 -8.044 -4.319 485 2HB ARG 78 1HB ARG 78 11.903 -9.144 -3.773 486 1HG ARG 78 2HG ARG 78 10.861 -9.085 -5.960 487 2HG ARG 78 1HG ARG 78 12.059 -7.915 -6.517 488 1HD ARG 78 2HD ARG 78 12.839 -9.964 -7.326 489 2HD ARG 78 1HD ARG 78 13.803 -9.674 -5.879 490 HE ARG 78 HE ARG 78 12.822 -11.499 -4.895 491 1HH1 ARG 78 1HH1 ARG 78 11.010 -10.631 -7.749 492 2HH1 ARG 78 2HH1 ARG 78 10.028 -12.056 -7.712 493 1HH2 ARG 78 1HH2 ARG 78 11.531 -13.376 -4.844 494 2HH2 ARG 78 2HH2 ARG 78 10.323 -13.614 -6.063 495 H THR 79 H THR 79 8.843 -7.491 -3.349 496 HA THR 79 HA THR 79 9.425 -8.203 -0.584 497 HB THR 79 HB THR 79 7.843 -6.593 0.332 498 HG1 THR 79 1HG THR 79 7.646 -5.539 -2.291 499 1HG2 THR 79 1HG2 THR 79 8.987 -4.465 -0.163 500 2HG2 THR 79 2HG2 THR 79 9.888 -5.283 -1.441 501 3HG2 THR 79 3HG2 THR 79 10.093 -5.778 0.240 502 H ARG 80 H ARG 80 8.217 -9.374 -3.144 503 HA ARG 80 HA ARG 80 5.461 -9.819 -2.674 504 1HB ARG 80 2HB ARG 80 7.258 -10.410 -4.703 505 2HB ARG 80 1HB ARG 80 6.810 -11.990 -4.080 506 1HG ARG 80 2HG ARG 80 4.379 -10.802 -4.259 507 2HG ARG 80 1HG ARG 80 5.234 -10.044 -5.606 508 1HD ARG 80 2HD ARG 80 5.491 -12.020 -6.738 509 2HD ARG 80 1HD ARG 80 5.461 -12.991 -5.266 510 HE ARG 80 HE ARG 80 2.954 -11.718 -5.872 511 1HH1 ARG 80 1HH1 ARG 80 4.947 -14.527 -6.428 512 2HH1 ARG 80 2HH1 ARG 80 3.610 -15.549 -6.837 513 1HH2 ARG 80 1HH2 ARG 80 1.195 -13.059 -6.411 514 2HH2 ARG 80 2HH2 ARG 80 1.480 -14.715 -6.829 515 H ASP 81 H ASP 81 8.307 -11.884 -2.102 516 HA ASP 81 HA ASP 81 6.691 -13.645 -0.424 517 1HB ASP 81 2HB ASP 81 8.678 -15.116 -0.437 518 2HB ASP 81 1HB ASP 81 8.134 -14.721 -2.064 519 H PHE 82 H PHE 82 7.412 -10.928 0.451 520 HA PHE 82 HA PHE 82 9.436 -11.245 2.475 521 1HB PHE 82 2HB PHE 82 7.783 -9.044 1.409 522 2HB PHE 82 1HB PHE 82 8.180 -8.916 3.117 523 HD1 PHE 82 1HD PHE 82 9.530 -6.954 2.833 524 HD2 PHE 82 2HD PHE 82 10.431 -10.536 0.720 525 HE1 PHE 82 1HE PHE 82 11.743 -6.049 2.249 526 HE2 PHE 82 2HE PHE 82 12.646 -9.637 0.132 527 HZ PHE 82 HZ PHE 82 13.304 -7.390 0.897 528 H ASP 83 H ASP 83 8.832 -10.460 4.763 529 HA ASP 83 HA ASP 83 6.443 -11.956 5.605 530 1HB ASP 83 2HB ASP 83 9.156 -11.645 6.722 531 2HB ASP 83 1HB ASP 83 7.854 -11.565 7.906 532 H CYS 84 H CYS 84 5.208 -11.093 7.414 533 HA CYS 84 HA CYS 84 4.356 -8.497 7.063 534 1HB CYS 84 2HB CYS 84 3.416 -8.722 9.420 535 2HB CYS 84 1HB CYS 84 2.939 -9.965 8.267 536 HG CYS 84 HG CYS 84 3.634 -11.028 10.582 537 H CYS 85 H CYS 85 6.850 -9.737 9.213 538 HA CYS 85 HA CYS 85 7.300 -7.355 10.622 539 1HB CYS 85 2HB CYS 85 8.890 -9.854 10.176 540 2HB CYS 85 1HB CYS 85 9.637 -8.473 10.973 541 HG CYS 85 HG CYS 85 8.693 -9.616 12.959 542 H LEU 86 H LEU 86 8.175 -8.366 7.459 543 HA LEU 86 HA LEU 86 10.264 -6.337 7.221 544 1HB LEU 86 2HB LEU 86 9.574 -8.805 5.830 545 2HB LEU 86 1HB LEU 86 9.916 -7.488 4.722 546 HG LEU 86 HG LEU 86 11.923 -7.610 6.800 547 1HD1 LEU 86 1HD1 LEU 86 11.913 -9.850 7.081 548 2HD1 LEU 86 2HD1 LEU 86 12.836 -9.809 5.579 549 3HD1 LEU 86 3HD1 LEU 86 11.107 -10.154 5.543 550 1HD2 LEU 86 1HD2 LEU 86 11.841 -6.643 4.350 551 2HD2 LEU 86 2HD2 LEU 86 12.453 -8.247 3.945 552 3HD2 LEU 86 3HD2 LEU 86 13.349 -7.216 5.060 553 H VAL 87 H VAL 87 7.006 -7.050 6.193 554 HA VAL 87 HA VAL 87 6.874 -4.920 4.276 555 HB VAL 87 HB VAL 87 4.597 -6.462 5.530 556 1HG1 VAL 87 1HG1 VAL 87 4.378 -5.434 2.787 557 2HG1 VAL 87 2HG1 VAL 87 4.448 -4.196 4.038 558 3HG1 VAL 87 3HG1 VAL 87 3.198 -5.437 4.095 559 1HG2 VAL 87 1HG2 VAL 87 4.828 -7.563 3.117 560 2HG2 VAL 87 2HG2 VAL 87 5.687 -8.184 4.526 561 3HG2 VAL 87 3HG2 VAL 87 6.521 -7.137 3.379 562 H VAL 88 H VAL 88 5.964 -5.366 7.661 563 HA VAL 88 HA VAL 88 4.378 -3.090 7.951 564 HB VAL 88 HB VAL 88 6.143 -4.416 10.015 565 1HG1 VAL 88 1HG1 VAL 88 3.964 -2.363 10.354 566 2HG1 VAL 88 2HG1 VAL 88 5.673 -2.168 10.741 567 3HG1 VAL 88 3HG1 VAL 88 4.682 -3.291 11.671 568 1HG2 VAL 88 1HG2 VAL 88 4.004 -5.483 8.765 569 2HG2 VAL 88 2HG2 VAL 88 3.213 -4.665 10.112 570 3HG2 VAL 88 3HG2 VAL 88 4.468 -5.866 10.423 571 HA PRO 89 HA PRO 89 8.413 -0.677 9.148 572 1HB PRO 89 2HB PRO 89 10.569 -2.245 7.915 573 2HB PRO 89 1HB PRO 89 10.456 -1.590 9.550 574 1HG PRO 89 2HG PRO 89 10.279 -4.228 9.062 575 2HG PRO 89 1HG PRO 89 9.359 -3.448 10.364 576 1HD PRO 89 2HD PRO 89 8.444 -4.275 7.633 577 2HD PRO 89 1HD PRO 89 7.624 -4.461 9.192 578 H LEU 90 H LEU 90 8.783 -2.581 6.141 579 HA LEU 90 HA LEU 90 9.883 -0.597 4.551 580 1HB LEU 90 2HB LEU 90 8.054 -2.887 3.874 581 2HB LEU 90 1HB LEU 90 8.740 -1.842 2.644 582 HG LEU 90 HG LEU 90 10.493 -3.298 4.603 583 1HD1 LEU 90 1HD1 LEU 90 10.195 -5.263 3.616 584 2HD1 LEU 90 2HD1 LEU 90 10.365 -4.554 2.011 585 3HD1 LEU 90 3HD1 LEU 90 8.791 -4.576 2.803 586 1HD2 LEU 90 1HD2 LEU 90 11.899 -1.888 3.537 587 2HD2 LEU 90 2HD2 LEU 90 10.837 -1.708 2.142 588 3HD2 LEU 90 3HD2 LEU 90 11.856 -3.139 2.295 589 H ILE 91 H ILE 91 6.605 -1.075 5.599 590 HA ILE 91 HA ILE 91 5.446 0.801 3.756 591 HB ILE 91 HB ILE 91 4.363 -0.607 6.197 592 1HG1 ILE 91 2HG1 ILE 91 3.489 -0.898 3.330 593 2HG1 ILE 91 1HG1 ILE 91 4.837 -1.826 3.989 594 1HG2 ILE 91 1HG2 ILE 91 2.395 0.490 6.128 595 2HG2 ILE 91 2HG2 ILE 91 2.449 0.702 4.381 596 3HG2 ILE 91 3HG2 ILE 91 3.368 1.780 5.426 597 1HD1 ILE 91 1HD1 ILE 91 2.183 -1.846 5.357 598 2HD1 ILE 91 2HD1 ILE 91 3.470 -3.051 5.388 599 3HD1 ILE 91 3HD1 ILE 91 2.475 -2.862 3.946 600 H ALA 92 H ALA 92 6.132 0.793 7.244 601 HA ALA 92 HA ALA 92 5.319 3.484 7.616 602 1HB ALA 92 1HB ALA 92 7.079 2.255 9.629 603 2HB ALA 92 2HB ALA 92 5.575 1.404 9.276 604 3HB ALA 92 3HB ALA 92 5.533 3.082 9.820 605 H GLU 93 H GLU 93 8.048 2.325 6.132 606 HA GLU 93 HA GLU 93 9.756 4.463 7.193 607 1HB GLU 93 2HB GLU 93 11.609 3.311 6.049 608 2HB GLU 93 1HB GLU 93 10.781 2.274 7.202 609 1HG GLU 93 2HG GLU 93 10.765 0.780 5.561 610 2HG GLU 93 1HG GLU 93 9.436 1.729 4.900 611 H SER 94 H SER 94 7.599 4.119 4.734 612 HA SER 94 HA SER 94 8.999 5.166 2.523 613 1HB SER 94 2HB SER 94 6.210 4.646 3.229 614 2HB SER 94 1HB SER 94 6.413 6.041 2.169 615 HG SER 94 HG SER 94 7.288 4.769 0.636 616 H GLY 95 H GLY 95 7.526 6.613 5.287 617 1HA GLY 95 2HA GLY 95 8.198 8.741 6.128 618 2HA GLY 95 1HA GLY 95 8.645 9.208 4.494 619 H ASN 96 H ASN 96 6.650 9.094 2.942 620 HA ASN 96 HA ASN 96 4.114 9.757 4.098 621 1HB ASN 96 2HB ASN 96 4.062 12.072 3.074 622 2HB ASN 96 1HB ASN 96 5.072 11.895 4.504 623 1HD2 ASN 96 1HD2 ASN 96 6.607 13.369 4.197 624 2HD2 ASN 96 2HD2 ASN 96 7.651 13.447 2.815 625 H LYS 97 H LYS 97 5.566 8.127 1.932 626 HA LYS 97 HA LYS 97 3.426 8.195 0.036 627 1HB LYS 97 2HB LYS 97 5.385 9.966 -0.553 628 2HB LYS 97 1HB LYS 97 6.030 8.528 -1.332 629 1HG LYS 97 2HG LYS 97 4.277 8.393 -2.830 630 2HG LYS 97 1HG LYS 97 3.202 9.355 -1.815 631 1HD LYS 97 2HD LYS 97 5.628 10.757 -2.679 632 2HD LYS 97 1HD LYS 97 4.550 10.288 -3.997 633 1HE LYS 97 2HE LYS 97 2.682 11.313 -2.576 634 2HE LYS 97 1HE LYS 97 3.977 12.056 -1.639 635 1HZ LYS 97 1HZ LYS 97 3.427 12.431 -4.531 636 2HZ LYS 97 2HZ LYS 97 4.801 13.028 -3.747 637 3HZ LYS 97 3HZ LYS 97 3.268 13.585 -3.303 638 H LEU 98 H LEU 98 3.030 6.097 -0.239 639 HA LEU 98 HA LEU 98 5.320 4.244 -0.280 640 1HB LEU 98 2HB LEU 98 2.969 4.258 1.305 641 2HB LEU 98 1HB LEU 98 2.863 2.882 0.231 642 HG LEU 98 HG LEU 98 5.101 3.459 2.176 643 1HD1 LEU 98 1HD1 LEU 98 3.871 0.945 2.566 644 2HD1 LEU 98 2HD1 LEU 98 2.589 2.149 2.450 645 3HD1 LEU 98 3HD1 LEU 98 3.878 2.345 3.637 646 1HD2 LEU 98 1HD2 LEU 98 5.296 0.842 1.230 647 2HD2 LEU 98 2HD2 LEU 98 6.376 2.187 0.867 648 3HD2 LEU 98 3HD2 LEU 98 5.026 1.828 -0.208 649 H ASP 99 H ASP 99 5.716 4.012 -2.426 650 HA ASP 99 HA ASP 99 3.478 3.335 -4.201 651 1HB ASP 99 2HB ASP 99 6.371 3.930 -4.884 652 2HB ASP 99 1HB ASP 99 5.061 3.690 -6.038 653 H LEU 100 H LEU 100 3.051 1.241 -4.487 654 HA LEU 100 HA LEU 100 5.241 -0.653 -4.778 655 1HB LEU 100 2HB LEU 100 4.046 -2.204 -3.122 656 2HB LEU 100 1HB LEU 100 5.036 -0.907 -2.480 657 HG LEU 100 HG LEU 100 2.680 0.362 -2.501 658 1HD1 LEU 100 1HD1 LEU 100 0.875 -1.101 -1.897 659 2HD1 LEU 100 2HD1 LEU 100 1.929 -2.512 -1.991 660 3HD1 LEU 100 3HD1 LEU 100 1.526 -1.614 -3.454 661 1HD2 LEU 100 1HD2 LEU 100 3.625 0.421 -0.454 662 2HD2 LEU 100 2HD2 LEU 100 4.123 -1.270 -0.514 663 3HD2 LEU 100 3HD2 LEU 100 2.456 -0.855 -0.112 664 H VAL 101 H VAL 101 4.480 -2.834 -5.372 665 HA VAL 101 HA VAL 101 2.043 -2.679 -7.022 666 HB VAL 101 HB VAL 101 4.284 -4.678 -7.323 667 1HG1 VAL 101 1HG1 VAL 101 1.931 -3.876 -9.012 668 2HG1 VAL 101 2HG1 VAL 101 2.331 -5.470 -8.374 669 3HG1 VAL 101 3HG1 VAL 101 3.305 -4.767 -9.666 670 1HG2 VAL 101 1HG2 VAL 101 4.973 -3.250 -9.280 671 2HG2 VAL 101 2HG2 VAL 101 5.316 -2.571 -7.689 672 3HG2 VAL 101 3HG2 VAL 101 3.938 -1.983 -8.621 673 H ILE 102 H ILE 102 0.369 -3.578 -5.990 674 HA ILE 102 HA ILE 102 0.842 -5.876 -4.220 675 HB ILE 102 HB ILE 102 -1.377 -5.461 -3.327 676 1HG1 ILE 102 2HG1 ILE 102 -2.434 -3.193 -4.233 677 2HG1 ILE 102 1HG1 ILE 102 -1.555 -3.643 -5.690 678 1HG2 ILE 102 1HG2 ILE 102 -0.800 -3.671 -2.047 679 2HG2 ILE 102 2HG2 ILE 102 -0.309 -2.696 -3.433 680 3HG2 ILE 102 3HG2 ILE 102 0.759 -3.958 -2.819 681 1HD1 ILE 102 1HD1 ILE 102 -3.023 -5.885 -4.632 682 2HD1 ILE 102 2HD1 ILE 102 -3.085 -5.147 -6.233 683 3HD1 ILE 102 3HD1 ILE 102 -4.077 -4.502 -4.925 684 H SER 103 H SER 103 -0.502 -7.748 -4.339 685 HA SER 103 HA SER 103 -1.726 -8.172 -6.990 686 1HB SER 103 2HB SER 103 0.445 -9.547 -5.873 687 2HB SER 103 1HB SER 103 -0.926 -10.635 -5.674 688 HG SER 103 HG SER 103 -1.338 -10.132 -7.989 689 H ARG 104 H ARG 104 -3.833 -8.713 -6.976 690 HA ARG 104 HA ARG 104 -4.957 -10.173 -4.734 691 1HB ARG 104 2HB ARG 104 -6.760 -8.508 -4.371 692 2HB ARG 104 1HB ARG 104 -5.168 -7.912 -3.924 693 1HG ARG 104 2HG ARG 104 -5.730 -6.106 -5.105 694 2HG ARG 104 1HG ARG 104 -5.350 -7.096 -6.515 695 1HD ARG 104 2HD ARG 104 -7.653 -7.700 -6.787 696 2HD ARG 104 1HD ARG 104 -8.084 -6.933 -5.261 697 HE ARG 104 HE ARG 104 -8.109 -4.898 -6.321 698 1HH1 ARG 104 1HH1 ARG 104 -6.572 -7.251 -8.392 699 2HH1 ARG 104 2HH1 ARG 104 -6.533 -6.199 -9.767 700 1HH2 ARG 104 1HH2 ARG 104 -8.056 -3.513 -8.129 701 2HH2 ARG 104 2HH2 ARG 104 -7.375 -4.077 -9.618 702 H ASN 105 H ASN 105 -6.458 -11.561 -5.394 703 HA ASN 105 HA ASN 105 -7.124 -11.873 -8.109 704 1HB ASN 105 2HB ASN 105 -8.866 -13.493 -7.185 705 2HB ASN 105 1HB ASN 105 -7.191 -13.816 -6.751 706 1HD2 ASN 105 1HD2 ASN 105 -6.527 -13.564 -4.648 707 2HD2 ASN 105 2HD2 ASN 105 -7.638 -13.348 -3.335 708 HA PRO 106 HA PRO 106 -10.626 -9.255 -8.679 709 1HB PRO 106 2HB PRO 106 -12.198 -10.713 -10.334 710 2HB PRO 106 1HB PRO 106 -10.680 -9.979 -10.864 711 1HG PRO 106 2HG PRO 106 -11.233 -12.804 -10.044 712 2HG PRO 106 1HG PRO 106 -10.268 -12.203 -11.406 713 1HD PRO 106 2HD PRO 106 -9.159 -13.063 -9.085 714 2HD PRO 106 1HD PRO 106 -8.432 -11.786 -10.081 Start of MODEL 14 1 1H SER 16 1HT SER 16 -11.881 -13.909 -13.911 2 2H SER 16 2HT SER 16 -11.219 -12.469 -13.258 3 3H SER 16 3HT SER 16 -12.852 -12.882 -12.941 4 HA SER 16 HA SER 16 -10.628 -13.468 -11.448 5 1HB SER 16 2HB SER 16 -12.710 -13.062 -10.415 6 2HB SER 16 1HB SER 16 -13.540 -14.252 -11.420 7 HG SER 16 HG SER 16 -11.520 -14.933 -9.552 8 HA PRO 17 HA PRO 17 -10.154 -17.460 -13.882 9 1HB PRO 17 2HB PRO 17 -7.315 -16.724 -13.928 10 2HB PRO 17 1HB PRO 17 -8.383 -17.150 -15.268 11 1HG PRO 17 2HG PRO 17 -7.477 -14.637 -14.893 12 2HG PRO 17 1HG PRO 17 -9.075 -14.979 -15.582 13 1HD PRO 17 2HD PRO 17 -8.349 -14.158 -12.794 14 2HD PRO 17 1HD PRO 17 -9.705 -13.625 -13.809 15 H THR 18 H THR 18 -7.336 -16.348 -12.014 16 HA THR 18 HA THR 18 -7.796 -17.813 -9.702 17 HB THR 18 HB THR 18 -6.378 -19.297 -11.884 18 HG1 THR 18 1HG THR 18 -7.817 -20.768 -11.417 19 1HG2 THR 18 1HG2 THR 18 -4.652 -19.716 -10.503 20 2HG2 THR 18 2HG2 THR 18 -5.787 -20.869 -9.801 21 3HG2 THR 18 3HG2 THR 18 -5.561 -19.288 -9.055 22 HA PRO 19 HA PRO 19 -3.047 -16.647 -9.874 23 1HB PRO 19 2HB PRO 19 -2.406 -15.199 -12.155 24 2HB PRO 19 1HB PRO 19 -2.024 -16.902 -11.887 25 1HG PRO 19 2HG PRO 19 -4.280 -15.681 -13.417 26 2HG PRO 19 1HG PRO 19 -3.314 -17.120 -13.794 27 1HD PRO 19 2HD PRO 19 -5.790 -17.325 -12.800 28 2HD PRO 19 1HD PRO 19 -4.509 -18.459 -12.322 29 H VAL 20 H VAL 20 -2.826 -14.985 -8.547 30 HA VAL 20 HA VAL 20 -4.539 -12.913 -8.148 31 HB VAL 20 HB VAL 20 -2.660 -11.689 -7.061 32 1HG1 VAL 20 1HG1 VAL 20 -2.262 -14.448 -6.118 33 2HG1 VAL 20 2HG1 VAL 20 -3.941 -13.921 -6.236 34 3HG1 VAL 20 3HG1 VAL 20 -2.799 -13.012 -5.245 35 1HG2 VAL 20 1HG2 VAL 20 -0.488 -13.012 -6.913 36 2HG2 VAL 20 2HG2 VAL 20 -0.803 -12.150 -8.420 37 3HG2 VAL 20 3HG2 VAL 20 -1.061 -13.892 -8.329 38 H GLU 21 H GLU 21 -4.731 -10.793 -8.745 39 HA GLU 21 HA GLU 21 -3.301 -10.015 -11.196 40 1HB GLU 21 2HB GLU 21 -5.164 -8.565 -11.709 41 2HB GLU 21 1HB GLU 21 -5.790 -10.170 -11.362 42 1HG GLU 21 2HG GLU 21 -6.080 -9.218 -8.950 43 2HG GLU 21 1HG GLU 21 -6.016 -7.664 -9.777 44 H LEU 22 H LEU 22 -1.834 -8.424 -10.995 45 HA LEU 22 HA LEU 22 -1.852 -6.920 -8.492 46 1HB LEU 22 2HB LEU 22 0.511 -6.505 -8.869 47 2HB LEU 22 1HB LEU 22 0.144 -8.219 -8.880 48 HG LEU 22 HG LEU 22 0.013 -7.889 -11.459 49 1HD1 LEU 22 1HD1 LEU 22 0.975 -5.325 -10.536 50 2HD1 LEU 22 2HD1 LEU 22 0.456 -5.819 -12.147 51 3HD1 LEU 22 3HD1 LEU 22 2.123 -6.087 -11.637 52 1HD2 LEU 22 1HD2 LEU 22 2.101 -8.830 -11.591 53 2HD2 LEU 22 2HD2 LEU 22 1.745 -9.081 -9.883 54 3HD2 LEU 22 3HD2 LEU 22 2.784 -7.747 -10.380 55 H HIS 23 H HIS 23 -1.325 -4.722 -8.408 56 HA HIS 23 HA HIS 23 -1.455 -3.184 -10.878 57 1HB HIS 23 2HB HIS 23 -3.312 -2.542 -8.586 58 2HB HIS 23 1HB HIS 23 -3.285 -1.814 -10.188 59 HD1 HIS 23 1HD HIS 23 -4.112 -3.392 -12.179 60 HD2 HIS 23 2HD HIS 23 -4.932 -4.736 -8.332 61 HE1 HIS 23 1HE HIS 23 -5.894 -5.145 -12.446 62 HE2 HIS 23 2HE HIS 23 -6.491 -5.812 -10.092 63 H LYS 24 H LYS 24 -0.805 -0.963 -10.597 64 HA LYS 24 HA LYS 24 1.202 -0.679 -8.528 65 1HB LYS 24 2HB LYS 24 0.992 0.193 -11.149 66 2HB LYS 24 1HB LYS 24 0.724 1.660 -10.218 67 1HG LYS 24 2HG LYS 24 2.858 1.773 -9.537 68 2HG LYS 24 1HG LYS 24 2.991 0.027 -9.323 69 1HD LYS 24 2HD LYS 24 2.778 0.249 -12.036 70 2HD LYS 24 1HD LYS 24 3.687 1.704 -11.622 71 1HE LYS 24 2HE LYS 24 5.458 0.499 -10.735 72 2HE LYS 24 1HE LYS 24 4.477 -0.942 -10.474 73 1HZ LYS 24 1HZ LYS 24 5.048 0.050 -13.197 74 2HZ LYS 24 2HZ LYS 24 4.568 -1.498 -12.717 75 3HZ LYS 24 3HZ LYS 24 6.137 -0.961 -12.388 76 H VAL 25 H VAL 25 0.572 -0.017 -6.576 77 HA VAL 25 HA VAL 25 -1.557 2.008 -6.407 78 HB VAL 25 HB VAL 25 -1.098 0.907 -3.841 79 1HG1 VAL 25 1HG1 VAL 25 -3.260 1.203 -5.778 80 2HG1 VAL 25 2HG1 VAL 25 -3.263 1.432 -4.030 81 3HG1 VAL 25 3HG1 VAL 25 -3.454 -0.185 -4.708 82 1HG2 VAL 25 1HG2 VAL 25 -1.254 -1.182 -6.004 83 2HG2 VAL 25 2HG2 VAL 25 -1.722 -1.490 -4.332 84 3HG2 VAL 25 3HG2 VAL 25 -0.061 -1.037 -4.714 85 H THR 26 H THR 26 -1.325 3.780 -5.072 86 HA THR 26 HA THR 26 1.304 4.196 -3.831 87 HB THR 26 HB THR 26 -0.147 6.177 -5.600 88 HG1 THR 26 1HG THR 26 1.451 5.819 -7.031 89 1HG2 THR 26 1HG2 THR 26 1.159 7.829 -4.898 90 2HG2 THR 26 2HG2 THR 26 2.594 6.802 -4.888 91 3HG2 THR 26 3HG2 THR 26 1.504 6.809 -3.500 92 H LEU 27 H LEU 27 0.782 4.283 -1.727 93 HA LEU 27 HA LEU 27 -1.687 5.591 -0.892 94 1HB LEU 27 2HB LEU 27 0.355 3.960 0.609 95 2HB LEU 27 1HB LEU 27 -1.028 4.719 1.373 96 HG LEU 27 HG LEU 27 -2.196 3.290 -0.667 97 1HD1 LEU 27 1HD1 LEU 27 -0.136 2.160 -1.228 98 2HD1 LEU 27 2HD1 LEU 27 -1.254 1.021 -0.479 99 3HD1 LEU 27 3HD1 LEU 27 0.092 1.678 0.453 100 1HD2 LEU 27 1HD2 LEU 27 -3.017 3.461 1.611 101 2HD2 LEU 27 2HD2 LEU 27 -1.691 2.452 2.187 102 3HD2 LEU 27 3HD2 LEU 27 -2.920 1.770 1.123 103 H TYR 28 H TYR 28 -1.452 6.795 1.296 104 HA TYR 28 HA TYR 28 0.893 8.567 1.244 105 1HB TYR 28 2HB TYR 28 -2.003 9.425 1.459 106 2HB TYR 28 1HB TYR 28 -0.627 10.487 1.742 107 HD1 TYR 28 1HD TYR 28 -2.906 9.259 -0.675 108 HD2 TYR 28 2HD TYR 28 1.067 10.714 -0.219 109 HE1 TYR 28 1HE TYR 28 -2.831 9.792 -3.074 110 HE2 TYR 28 2HE TYR 28 1.152 11.251 -2.617 111 HH TYR 28 HH TYR 28 -1.242 10.165 -4.830 112 H LYS 29 H LYS 29 1.628 9.225 3.246 113 HA LYS 29 HA LYS 29 0.203 8.073 5.556 114 1HB LYS 29 2HB LYS 29 2.777 7.519 4.693 115 2HB LYS 29 1HB LYS 29 3.023 8.660 6.007 116 1HG LYS 29 2HG LYS 29 1.224 6.997 7.138 117 2HG LYS 29 1HG LYS 29 2.072 5.881 6.066 118 1HD LYS 29 2HD LYS 29 3.788 5.793 7.477 119 2HD LYS 29 1HD LYS 29 3.994 7.542 7.365 120 1HE LYS 29 2HE LYS 29 3.671 6.961 9.669 121 2HE LYS 29 1HE LYS 29 2.231 7.803 9.097 122 1HZ LYS 29 1HZ LYS 29 2.516 4.859 9.375 123 2HZ LYS 29 2HZ LYS 29 1.134 5.665 8.830 124 3HZ LYS 29 3HZ LYS 29 1.658 5.870 10.425 125 H ASP 30 H ASP 30 0.600 9.176 7.634 126 HA ASP 30 HA ASP 30 0.903 12.087 7.270 127 1HB ASP 30 2HB ASP 30 -1.202 10.510 8.649 128 2HB ASP 30 1HB ASP 30 -0.673 11.989 9.445 129 H SER 31 H SER 31 2.113 13.189 8.746 130 HA SER 31 HA SER 31 4.087 11.798 10.174 131 1HB SER 31 2HB SER 31 4.772 13.960 11.031 132 2HB SER 31 1HB SER 31 4.315 14.135 9.337 133 HG SER 31 HG SER 31 3.453 15.766 10.782 134 H GLY 32 H GLY 32 2.942 10.295 11.487 135 1HA GLY 32 2HA GLY 32 2.824 10.169 13.983 136 2HA GLY 32 1HA GLY 32 1.711 11.523 13.879 137 H MET 33 H MET 33 1.454 9.109 11.428 138 HA MET 33 HA MET 33 -1.184 8.413 12.364 139 1HB MET 33 2HB MET 33 -0.105 8.654 9.883 140 2HB MET 33 1HB MET 33 -0.030 6.910 10.098 141 1HG MET 33 2HG MET 33 -2.328 6.697 10.237 142 2HG MET 33 1HG MET 33 -2.561 8.391 10.664 143 1HE MET 33 1HE MET 33 -3.543 9.738 9.518 144 2HE MET 33 2HE MET 33 -4.431 9.158 8.109 145 3HE MET 33 3HE MET 33 -3.105 10.303 7.906 146 H GLU 34 H GLU 34 -1.845 6.050 12.304 147 HA GLU 34 HA GLU 34 0.079 4.539 13.902 148 1HB GLU 34 2HB GLU 34 -2.560 5.021 14.331 149 2HB GLU 34 1HB GLU 34 -2.638 3.454 13.536 150 1HG GLU 34 2HG GLU 34 -1.445 2.397 15.222 151 2HG GLU 34 1HG GLU 34 -0.782 3.911 15.834 152 H ASP 35 H ASP 35 -1.290 4.613 10.793 153 HA ASP 35 HA ASP 35 0.221 2.296 9.999 154 1HB ASP 35 2HB ASP 35 -2.654 2.120 10.472 155 2HB ASP 35 1HB ASP 35 -2.216 1.660 8.829 156 H PHE 36 H PHE 36 -0.740 1.833 7.512 157 HA PHE 36 HA PHE 36 -0.432 4.456 6.217 158 1HB PHE 36 2HB PHE 36 1.079 2.177 5.894 159 2HB PHE 36 1HB PHE 36 -0.022 2.105 4.523 160 HD1 PHE 36 1HD PHE 36 -0.337 4.550 3.380 161 HD2 PHE 36 2HD PHE 36 3.089 3.174 5.494 162 HE1 PHE 36 1HE PHE 36 1.057 6.184 2.178 163 HE2 PHE 36 2HE PHE 36 4.490 4.804 4.299 164 HZ PHE 36 HZ PHE 36 3.473 6.314 2.638 165 H GLY 37 H GLY 37 -2.939 2.950 7.139 166 1HA GLY 37 2HA GLY 37 -5.080 3.475 6.186 167 2HA GLY 37 1HA GLY 37 -4.367 3.300 4.592 168 H PHE 38 H PHE 38 -3.176 0.796 6.385 169 HA PHE 38 HA PHE 38 -5.373 -0.970 6.503 170 1HB PHE 38 2HB PHE 38 -4.928 -2.396 4.604 171 2HB PHE 38 1HB PHE 38 -5.254 -0.762 4.050 172 HD1 PHE 38 1HD PHE 38 -2.469 -3.096 4.823 173 HD2 PHE 38 2HD PHE 38 -3.774 0.290 2.600 174 HE1 PHE 38 1HE PHE 38 -0.373 -3.138 3.537 175 HE2 PHE 38 2HE PHE 38 -1.679 0.253 1.310 176 HZ PHE 38 HZ PHE 38 0.020 -1.468 1.770 177 H SER 39 H SER 39 -4.854 -2.935 7.425 178 HA SER 39 HA SER 39 -2.102 -3.146 8.402 179 1HB SER 39 2HB SER 39 -4.710 -4.351 9.338 180 2HB SER 39 1HB SER 39 -3.147 -4.870 9.968 181 HG SER 39 HG SER 39 -3.958 -2.161 9.967 182 H VAL 40 H VAL 40 -0.816 -4.878 7.973 183 HA VAL 40 HA VAL 40 -1.710 -6.642 5.834 184 HB VAL 40 HB VAL 40 0.651 -7.281 5.624 185 1HG1 VAL 40 1HG1 VAL 40 -0.235 -5.359 4.382 186 2HG1 VAL 40 2HG1 VAL 40 1.472 -5.158 4.776 187 3HG1 VAL 40 3HG1 VAL 40 0.246 -4.295 5.704 188 1HG2 VAL 40 1HG2 VAL 40 2.359 -6.459 6.980 189 2HG2 VAL 40 2HG2 VAL 40 1.077 -6.840 8.129 190 3HG2 VAL 40 3HG2 VAL 40 1.349 -5.169 7.634 191 H ALA 41 H ALA 41 -0.776 -8.929 5.919 192 HA ALA 41 HA ALA 41 -0.918 -10.057 8.626 193 1HB ALA 41 1HB ALA 41 -3.061 -10.173 6.953 194 2HB ALA 41 2HB ALA 41 -2.720 -11.336 8.234 195 3HB ALA 41 3HB ALA 41 -2.236 -11.686 6.574 196 H ASP 42 H ASP 42 -0.474 -12.574 8.382 197 HA ASP 42 HA ASP 42 2.034 -12.769 6.877 198 1HB ASP 42 2HB ASP 42 0.946 -14.146 9.305 199 2HB ASP 42 1HB ASP 42 2.200 -14.934 8.352 200 H GLY 43 H GLY 43 2.273 -14.109 5.189 201 1HA GLY 43 2HA GLY 43 -0.037 -15.786 4.471 202 2HA GLY 43 1HA GLY 43 1.157 -15.163 3.342 203 H LEU 44 H LEU 44 0.181 -17.821 5.153 204 HA LEU 44 HA LEU 44 2.815 -19.071 5.139 205 1HB LEU 44 2HB LEU 44 0.356 -19.424 6.642 206 2HB LEU 44 1HB LEU 44 0.983 -20.951 6.048 207 HG LEU 44 HG LEU 44 1.768 -20.460 8.317 208 1HD1 LEU 44 1HD1 LEU 44 3.972 -20.322 6.263 209 2HD1 LEU 44 2HD1 LEU 44 3.162 -21.793 6.803 210 3HD1 LEU 44 3HD1 LEU 44 4.135 -20.854 7.937 211 1HD2 LEU 44 1HD2 LEU 44 1.887 -18.166 8.544 212 2HD2 LEU 44 2HD2 LEU 44 2.722 -17.949 7.006 213 3HD2 LEU 44 3HD2 LEU 44 3.588 -18.605 8.395 214 H LEU 45 H LEU 45 -0.151 -19.080 3.418 215 HA LEU 45 HA LEU 45 0.338 -21.594 2.085 216 1HB LEU 45 2HB LEU 45 -1.904 -20.006 2.555 217 2HB LEU 45 1HB LEU 45 -1.656 -19.930 0.820 218 HG LEU 45 HG LEU 45 -3.202 -21.737 1.559 219 1HD1 LEU 45 1HD1 LEU 45 -1.949 -23.569 0.262 220 2HD1 LEU 45 2HD1 LEU 45 -0.701 -22.343 0.035 221 3HD1 LEU 45 3HD1 LEU 45 -2.334 -22.062 -0.570 222 1HD2 LEU 45 1HD2 LEU 45 -0.864 -23.331 2.465 223 2HD2 LEU 45 2HD2 LEU 45 -2.570 -23.490 2.882 224 3HD2 LEU 45 3HD2 LEU 45 -1.603 -22.200 3.598 225 H GLU 46 H GLU 46 1.520 -18.496 1.716 226 HA GLU 46 HA GLU 46 2.580 -19.140 -0.901 227 1HB GLU 46 2HB GLU 46 1.328 -16.437 -0.689 228 2HB GLU 46 1HB GLU 46 1.673 -17.400 -2.119 229 1HG GLU 46 2HG GLU 46 -0.177 -18.918 -1.485 230 2HG GLU 46 1HG GLU 46 -0.555 -17.838 -0.143 231 H LYS 47 H LYS 47 3.513 -18.627 1.888 232 HA LYS 47 HA LYS 47 4.938 -17.212 3.079 233 1HB LYS 47 2HB LYS 47 6.174 -18.614 0.842 234 2HB LYS 47 1HB LYS 47 7.122 -17.239 1.386 235 1HG LYS 47 2HG LYS 47 6.094 -19.018 3.499 236 2HG LYS 47 1HG LYS 47 7.326 -19.695 2.433 237 1HD LYS 47 2HD LYS 47 8.783 -18.715 3.832 238 2HD LYS 47 1HD LYS 47 8.359 -17.231 2.977 239 1HE LYS 47 2HE LYS 47 7.195 -16.406 4.723 240 2HE LYS 47 1HE LYS 47 6.543 -17.984 5.163 241 1HZ LYS 47 1HZ LYS 47 8.137 -16.921 6.784 242 2HZ LYS 47 2HZ LYS 47 9.364 -17.252 5.668 243 3HZ LYS 47 3HZ LYS 47 8.475 -18.520 6.347 244 H GLY 48 H GLY 48 3.806 -15.181 2.872 245 1HA GLY 48 2HA GLY 48 5.467 -13.133 1.788 246 2HA GLY 48 1HA GLY 48 4.022 -13.352 0.814 247 H VAL 49 H VAL 49 3.419 -11.194 1.366 248 HA VAL 49 HA VAL 49 2.071 -11.056 3.968 249 HB VAL 49 HB VAL 49 3.759 -8.835 2.804 250 1HG1 VAL 49 1HG1 VAL 49 3.199 -7.788 5.092 251 2HG1 VAL 49 2HG1 VAL 49 1.848 -8.920 5.112 252 3HG1 VAL 49 3HG1 VAL 49 1.980 -7.727 3.820 253 1HG2 VAL 49 1HG2 VAL 49 5.373 -10.031 3.836 254 2HG2 VAL 49 2HG2 VAL 49 4.229 -10.883 4.872 255 3HG2 VAL 49 3HG2 VAL 49 4.732 -9.243 5.277 256 H TYR 50 H TYR 50 0.040 -10.333 3.842 257 HA TYR 50 HA TYR 50 -0.782 -8.854 1.435 258 1HB TYR 50 2HB TYR 50 -2.823 -10.604 2.669 259 2HB TYR 50 1HB TYR 50 -2.521 -10.248 0.973 260 HD1 TYR 50 1HD TYR 50 -2.826 -12.885 2.974 261 HD2 TYR 50 2HD TYR 50 0.154 -11.156 0.482 262 HE1 TYR 50 1HE TYR 50 -1.777 -15.093 2.705 263 HE2 TYR 50 2HE TYR 50 1.211 -13.354 0.204 264 HH TYR 50 HH TYR 50 1.324 -15.505 1.366 265 H VAL 51 H VAL 51 -3.058 -7.882 1.824 266 HA VAL 51 HA VAL 51 -2.892 -6.412 4.332 267 HB VAL 51 HB VAL 51 -4.689 -5.991 1.939 268 1HG1 VAL 51 1HG1 VAL 51 -4.779 -3.647 3.140 269 2HG1 VAL 51 2HG1 VAL 51 -4.469 -4.626 4.574 270 3HG1 VAL 51 3HG1 VAL 51 -5.891 -4.944 3.579 271 1HG2 VAL 51 1HG2 VAL 51 -2.383 -5.579 1.380 272 2HG2 VAL 51 2HG2 VAL 51 -2.167 -4.599 2.832 273 3HG2 VAL 51 3HG2 VAL 51 -3.221 -4.034 1.535 274 H LYS 52 H LYS 52 -4.085 -6.882 6.037 275 HA LYS 52 HA LYS 52 -6.168 -8.876 5.833 276 1HB LYS 52 2HB LYS 52 -6.189 -8.738 8.317 277 2HB LYS 52 1HB LYS 52 -4.608 -9.119 7.649 278 1HG LYS 52 2HG LYS 52 -3.692 -7.171 8.337 279 2HG LYS 52 1HG LYS 52 -5.188 -6.263 8.125 280 1HD LYS 52 2HD LYS 52 -4.812 -6.333 10.452 281 2HD LYS 52 1HD LYS 52 -6.071 -7.528 10.139 282 1HE LYS 52 2HE LYS 52 -4.632 -8.655 11.569 283 2HE LYS 52 1HE LYS 52 -4.117 -9.208 9.975 284 1HZ LYS 52 1HZ LYS 52 -2.812 -7.146 11.663 285 2HZ LYS 52 2HZ LYS 52 -2.379 -7.455 10.059 286 3HZ LYS 52 3HZ LYS 52 -2.191 -8.660 11.232 287 H ASN 53 H ASN 53 -5.862 -5.468 6.381 288 HA ASN 53 HA ASN 53 -8.675 -5.089 5.928 289 1HB ASN 53 2HB ASN 53 -7.524 -4.781 8.677 290 2HB ASN 53 1HB ASN 53 -8.838 -3.729 8.160 291 1HD2 ASN 53 1HD2 ASN 53 -7.931 -6.864 9.188 292 2HD2 ASN 53 2HD2 ASN 53 -9.516 -7.566 9.192 293 H ILE 54 H ILE 54 -9.208 -3.009 5.344 294 HA ILE 54 HA ILE 54 -7.012 -1.047 5.309 295 HB ILE 54 HB ILE 54 -9.063 -1.387 3.128 296 1HG1 ILE 54 2HG1 ILE 54 -6.418 -2.674 3.565 297 2HG1 ILE 54 1HG1 ILE 54 -7.858 -3.309 2.784 298 1HG2 ILE 54 1HG2 ILE 54 -8.055 0.334 2.032 299 2HG2 ILE 54 2HG2 ILE 54 -6.469 -0.007 2.723 300 3HG2 ILE 54 3HG2 ILE 54 -7.690 0.822 3.688 301 1HD1 ILE 54 1HD1 ILE 54 -6.455 -3.113 0.999 302 2HD1 ILE 54 2HD1 ILE 54 -5.635 -1.696 1.654 303 3HD1 ILE 54 3HD1 ILE 54 -7.244 -1.536 0.947 304 H ARG 55 H ARG 55 -7.523 0.995 5.916 305 HA ARG 55 HA ARG 55 -9.947 1.483 7.278 306 1HB ARG 55 2HB ARG 55 -7.973 3.540 6.277 307 2HB ARG 55 1HB ARG 55 -9.132 3.738 7.585 308 1HG ARG 55 2HG ARG 55 -7.799 1.637 8.537 309 2HG ARG 55 1HG ARG 55 -6.522 2.352 7.552 310 1HD ARG 55 2HD ARG 55 -7.550 4.539 8.826 311 2HD ARG 55 1HD ARG 55 -7.721 3.286 10.055 312 HE ARG 55 HE ARG 55 -5.126 3.349 8.825 313 1HH1 ARG 55 1HH1 ARG 55 -7.122 4.678 11.359 314 2HH1 ARG 55 2HH1 ARG 55 -5.777 5.138 12.349 315 1HH2 ARG 55 1HH2 ARG 55 -3.355 3.952 10.125 316 2HH2 ARG 55 2HH2 ARG 55 -3.640 4.726 11.649 317 HA PRO 56 HA PRO 56 -12.556 2.766 3.941 318 1HB PRO 56 2HB PRO 56 -14.412 4.176 5.306 319 2HB PRO 56 1HB PRO 56 -14.301 2.415 5.405 320 1HG PRO 56 2HG PRO 56 -13.275 4.487 7.309 321 2HG PRO 56 1HG PRO 56 -14.116 2.965 7.658 322 1HD PRO 56 2HD PRO 56 -11.419 3.242 7.850 323 2HD PRO 56 1HD PRO 56 -12.204 1.708 7.422 324 H ALA 57 H ALA 57 -12.772 4.446 2.548 325 HA ALA 57 HA ALA 57 -12.060 6.375 1.525 326 1HB ALA 57 1HB ALA 57 -12.921 8.407 3.016 327 2HB ALA 57 2HB ALA 57 -13.755 7.092 3.842 328 3HB ALA 57 3HB ALA 57 -14.014 7.356 2.117 329 H GLY 58 H GLY 58 -10.002 5.221 3.188 330 1HA GLY 58 2HA GLY 58 -8.621 7.666 4.109 331 2HA GLY 58 1HA GLY 58 -8.324 6.060 4.761 332 HA PRO 59 HA PRO 59 -4.863 7.038 1.793 333 1HB PRO 59 2HB PRO 59 -3.694 4.931 3.547 334 2HB PRO 59 1HB PRO 59 -2.973 6.433 2.959 335 1HG PRO 59 2HG PRO 59 -3.800 6.222 5.480 336 2HG PRO 59 1HG PRO 59 -4.030 7.727 4.568 337 1HD PRO 59 2HD PRO 59 -6.018 5.616 5.277 338 2HD PRO 59 1HD PRO 59 -6.228 7.374 5.166 339 H GLY 60 H GLY 60 -5.534 3.795 3.135 340 1HA GLY 60 2HA GLY 60 -4.765 2.397 0.805 341 2HA GLY 60 1HA GLY 60 -5.735 1.747 2.118 342 H ASP 61 H ASP 61 -7.854 3.724 1.837 343 HA ASP 61 HA ASP 61 -9.387 2.388 -0.170 344 1HB ASP 61 2HB ASP 61 -10.219 3.395 2.053 345 2HB ASP 61 1HB ASP 61 -10.200 4.940 1.208 346 H LEU 62 H LEU 62 -7.667 5.415 0.086 347 HA LEU 62 HA LEU 62 -8.774 6.559 -2.283 348 1HB LEU 62 2HB LEU 62 -6.390 7.249 -0.581 349 2HB LEU 62 1HB LEU 62 -6.791 8.143 -2.035 350 HG LEU 62 HG LEU 62 -8.685 7.829 0.290 351 1HD1 LEU 62 1HD1 LEU 62 -6.446 9.700 -0.160 352 2HD1 LEU 62 2HD1 LEU 62 -7.175 9.137 1.344 353 3HD1 LEU 62 3HD1 LEU 62 -7.963 10.402 0.402 354 1HD2 LEU 62 1HD2 LEU 62 -8.686 9.821 -1.969 355 2HD2 LEU 62 2HD2 LEU 62 -9.936 9.578 -0.750 356 3HD2 LEU 62 3HD2 LEU 62 -9.635 8.335 -1.965 357 H GLY 63 H GLY 63 -5.969 4.609 -1.511 358 1HA GLY 63 2HA GLY 63 -4.630 4.971 -4.002 359 2HA GLY 63 1HA GLY 63 -4.318 3.697 -2.832 360 H GLY 64 H GLY 64 -6.530 2.231 -2.724 361 1HA GLY 64 2HA GLY 64 -8.233 1.292 -4.249 362 2HA GLY 64 1HA GLY 64 -7.045 1.462 -5.531 363 H LEU 65 H LEU 65 -6.305 0.300 -2.297 364 HA LEU 65 HA LEU 65 -5.303 -2.172 -3.449 365 1HB LEU 65 2HB LEU 65 -5.261 -1.377 -0.544 366 2HB LEU 65 1HB LEU 65 -4.243 -2.555 -1.352 367 HG LEU 65 HG LEU 65 -3.686 -0.230 -2.725 368 1HD1 LEU 65 1HD1 LEU 65 -4.881 1.159 -1.178 369 2HD1 LEU 65 2HD1 LEU 65 -3.151 1.405 -0.940 370 3HD1 LEU 65 3HD1 LEU 65 -4.063 0.409 0.193 371 1HD2 LEU 65 1HD2 LEU 65 -2.151 -1.126 -0.305 372 2HD2 LEU 65 2HD2 LEU 65 -1.536 -0.430 -1.804 373 3HD2 LEU 65 3HD2 LEU 65 -2.189 -2.068 -1.795 374 H LYS 66 H LYS 66 -6.597 -3.870 -3.668 375 HA LYS 66 HA LYS 66 -9.053 -4.072 -2.165 376 1HB LYS 66 2HB LYS 66 -7.887 -5.329 -4.539 377 2HB LYS 66 1HB LYS 66 -8.787 -6.452 -3.529 378 1HG LYS 66 2HG LYS 66 -10.299 -5.606 -5.132 379 2HG LYS 66 1HG LYS 66 -10.700 -4.828 -3.599 380 1HD LYS 66 2HD LYS 66 -10.160 -2.783 -4.362 381 2HD LYS 66 1HD LYS 66 -8.734 -3.373 -5.219 382 1HE LYS 66 2HE LYS 66 -10.272 -2.521 -6.838 383 2HE LYS 66 1HE LYS 66 -10.252 -4.280 -6.976 384 1HZ LYS 66 1HZ LYS 66 -12.487 -2.899 -6.872 385 2HZ LYS 66 2HZ LYS 66 -12.256 -3.104 -5.209 386 3HZ LYS 66 3HZ LYS 66 -12.364 -4.456 -6.219 387 HA PRO 67 HA PRO 67 -7.912 -6.719 1.148 388 1HB PRO 67 2HB PRO 67 -9.695 -8.830 0.850 389 2HB PRO 67 1HB PRO 67 -10.041 -7.310 1.679 390 1HG PRO 67 2HG PRO 67 -10.721 -8.148 -1.104 391 2HG PRO 67 1HG PRO 67 -11.681 -7.209 0.054 392 1HD PRO 67 2HD PRO 67 -10.407 -6.025 -1.984 393 2HD PRO 67 1HD PRO 67 -10.523 -5.247 -0.392 394 H TYR 68 H TYR 68 -6.295 -8.103 1.411 395 HA TYR 68 HA TYR 68 -4.991 -9.973 1.186 396 1HB TYR 68 2HB TYR 68 -7.259 -10.783 -0.223 397 2HB TYR 68 1HB TYR 68 -5.929 -11.031 -1.349 398 HD1 TYR 68 1HD TYR 68 -7.336 -11.986 1.907 399 HD2 TYR 68 2HD TYR 68 -4.255 -12.714 -0.935 400 HE1 TYR 68 1HE TYR 68 -6.764 -14.072 3.072 401 HE2 TYR 68 2HE TYR 68 -3.675 -14.805 0.222 402 HH TYR 68 HH TYR 68 -4.943 -15.608 3.316 403 H ASP 69 H ASP 69 -5.146 -7.347 -0.682 404 HA ASP 69 HA ASP 69 -3.609 -7.802 -2.933 405 1HB ASP 69 2HB ASP 69 -3.017 -5.420 -2.832 406 2HB ASP 69 1HB ASP 69 -4.728 -5.667 -2.508 407 H ARG 70 H ARG 70 -2.031 -9.316 -2.463 408 HA ARG 70 HA ARG 70 -0.083 -9.028 -0.441 409 1HB ARG 70 2HB ARG 70 -0.558 -11.184 -1.365 410 2HB ARG 70 1HB ARG 70 -0.159 -10.638 -2.986 411 1HG ARG 70 2HG ARG 70 2.192 -10.298 -2.220 412 2HG ARG 70 1HG ARG 70 1.741 -11.042 -0.684 413 1HD ARG 70 2HD ARG 70 2.067 -13.055 -1.560 414 2HD ARG 70 1HD ARG 70 0.835 -12.732 -2.778 415 HE ARG 70 HE ARG 70 3.319 -11.538 -3.475 416 1HH1 ARG 70 1HH1 ARG 70 1.629 -14.591 -3.408 417 2HH1 ARG 70 2HH1 ARG 70 2.548 -15.271 -4.709 418 1HH2 ARG 70 1HH2 ARG 70 4.526 -12.428 -5.188 419 2HH2 ARG 70 2HH2 ARG 70 4.193 -14.043 -5.719 420 H LEU 71 H LEU 71 1.275 -7.358 -0.364 421 HA LEU 71 HA LEU 71 2.022 -5.727 -2.502 422 1HB LEU 71 2HB LEU 71 3.414 -6.232 0.125 423 2HB LEU 71 1HB LEU 71 3.849 -4.949 -0.987 424 HG LEU 71 HG LEU 71 1.177 -4.489 -0.638 425 1HD1 LEU 71 1HD1 LEU 71 1.650 -6.323 1.299 426 2HD1 LEU 71 2HD1 LEU 71 0.406 -5.077 1.382 427 3HD1 LEU 71 3HD1 LEU 71 1.964 -4.820 2.165 428 1HD2 LEU 71 1HD2 LEU 71 3.283 -3.350 1.176 429 2HD2 LEU 71 2HD2 LEU 71 1.840 -2.562 0.541 430 3HD2 LEU 71 3HD2 LEU 71 3.184 -2.942 -0.536 431 H LEU 72 H LEU 72 3.255 -6.158 -4.199 432 HA LEU 72 HA LEU 72 5.025 -8.438 -4.192 433 1HB LEU 72 2HB LEU 72 4.658 -6.408 -6.388 434 2HB LEU 72 1HB LEU 72 5.335 -8.017 -6.533 435 HG LEU 72 HG LEU 72 2.450 -7.353 -5.942 436 1HD1 LEU 72 1HD1 LEU 72 1.972 -8.097 -8.128 437 2HD1 LEU 72 2HD1 LEU 72 3.601 -8.730 -8.353 438 3HD1 LEU 72 3HD1 LEU 72 3.332 -6.988 -8.283 439 1HD2 LEU 72 1HD2 LEU 72 3.581 -10.077 -6.487 440 2HD2 LEU 72 2HD2 LEU 72 1.993 -9.646 -5.850 441 3HD2 LEU 72 3HD2 LEU 72 3.431 -9.440 -4.850 442 H GLN 73 H GLN 73 5.512 -5.040 -5.165 443 HA GLN 73 HA GLN 73 8.162 -5.139 -3.892 444 1HB GLN 73 2HB GLN 73 9.067 -3.821 -5.790 445 2HB GLN 73 1HB GLN 73 8.540 -5.432 -6.261 446 1HG GLN 73 2HG GLN 73 6.310 -4.197 -6.851 447 2HG GLN 73 1HG GLN 73 7.357 -2.780 -6.913 448 1HE2 GLN 73 1HE2 GLN 73 9.577 -3.498 -8.059 449 2HE2 GLN 73 2HE2 GLN 73 9.326 -4.186 -9.629 450 H VAL 74 H VAL 74 8.559 -3.483 -2.578 451 HA VAL 74 HA VAL 74 6.755 -1.162 -2.694 452 HB VAL 74 HB VAL 74 8.433 -2.033 -0.342 453 1HG1 VAL 74 1HG1 VAL 74 6.417 -0.621 0.707 454 2HG1 VAL 74 2HG1 VAL 74 6.524 0.162 -0.869 455 3HG1 VAL 74 3HG1 VAL 74 7.934 0.113 0.188 456 1HG2 VAL 74 1HG2 VAL 74 6.992 -3.777 -0.301 457 2HG2 VAL 74 2HG2 VAL 74 5.787 -2.946 -1.283 458 3HG2 VAL 74 3HG2 VAL 74 5.923 -2.584 0.436 459 H ASN 75 H ASN 75 7.553 0.860 -2.910 460 HA ASN 75 HA ASN 75 9.016 2.483 -3.560 461 1HB ASN 75 2HB ASN 75 10.531 1.129 -1.332 462 2HB ASN 75 1HB ASN 75 11.115 2.593 -2.118 463 1HD2 ASN 75 1HD2 ASN 75 8.998 4.135 -2.434 464 2HD2 ASN 75 2HD2 ASN 75 8.240 4.499 -0.918 465 H HIS 76 H HIS 76 9.115 0.009 -5.069 466 HA HIS 76 HA HIS 76 10.264 -0.582 -6.970 467 1HB HIS 76 2HB HIS 76 11.608 1.710 -6.358 468 2HB HIS 76 1HB HIS 76 12.892 0.514 -6.211 469 HD1 HIS 76 1HD HIS 76 13.993 1.615 -8.333 470 HD2 HIS 76 2HD HIS 76 10.303 -0.177 -8.994 471 HE1 HIS 76 1HE HIS 76 13.794 1.387 -10.829 472 HE2 HIS 76 2HE HIS 76 11.513 0.387 -11.210 473 H VAL 77 H VAL 77 11.214 -1.156 -3.761 474 HA VAL 77 HA VAL 77 13.198 -3.161 -4.385 475 HB VAL 77 HB VAL 77 11.874 -2.611 -1.726 476 1HG1 VAL 77 1HG1 VAL 77 13.636 -3.817 -0.737 477 2HG1 VAL 77 2HG1 VAL 77 14.572 -3.832 -2.231 478 3HG1 VAL 77 3HG1 VAL 77 13.105 -4.801 -2.101 479 1HG2 VAL 77 1HG2 VAL 77 13.971 -1.319 -1.251 480 2HG2 VAL 77 2HG2 VAL 77 12.885 -0.570 -2.421 481 3HG2 VAL 77 3HG2 VAL 77 14.337 -1.407 -2.973 482 H ARG 78 H ARG 78 12.919 -5.329 -4.442 483 HA ARG 78 HA ARG 78 10.302 -6.365 -4.838 484 1HB ARG 78 2HB ARG 78 12.966 -7.756 -4.503 485 2HB ARG 78 1HB ARG 78 11.474 -8.573 -4.951 486 1HG ARG 78 2HG ARG 78 12.075 -6.277 -6.641 487 2HG ARG 78 1HG ARG 78 13.320 -7.527 -6.683 488 1HD ARG 78 2HD ARG 78 10.619 -8.609 -6.806 489 2HD ARG 78 1HD ARG 78 10.977 -7.510 -8.138 490 HE ARG 78 HE ARG 78 13.147 -9.157 -8.016 491 1HH1 ARG 78 1HH1 ARG 78 9.707 -9.656 -8.337 492 2HH1 ARG 78 2HH1 ARG 78 9.878 -11.113 -9.256 493 1HH2 ARG 78 1HH2 ARG 78 13.373 -11.072 -9.229 494 2HH2 ARG 78 2HH2 ARG 78 11.959 -11.917 -9.763 495 H THR 79 H THR 79 8.896 -7.110 -3.391 496 HA THR 79 HA THR 79 9.860 -8.242 -0.882 497 HB THR 79 HB THR 79 8.512 -6.864 0.514 498 HG1 THR 79 1HG THR 79 6.825 -5.851 -0.196 499 1HG2 THR 79 1HG2 THR 79 10.613 -5.792 -0.201 500 2HG2 THR 79 2HG2 THR 79 9.336 -4.637 0.184 501 3HG2 THR 79 3HG2 THR 79 9.728 -4.992 -1.499 502 H ARG 80 H ARG 80 8.625 -9.359 -3.257 503 HA ARG 80 HA ARG 80 5.880 -9.875 -2.834 504 1HB ARG 80 2HB ARG 80 8.019 -10.929 -4.575 505 2HB ARG 80 1HB ARG 80 6.706 -12.050 -4.241 506 1HG ARG 80 2HG ARG 80 5.089 -10.509 -5.126 507 2HG ARG 80 1HG ARG 80 6.323 -9.265 -5.317 508 1HD ARG 80 2HD ARG 80 5.622 -10.611 -7.391 509 2HD ARG 80 1HD ARG 80 7.342 -10.367 -7.094 510 HE ARG 80 HE ARG 80 6.289 -12.815 -6.000 511 1HH1 ARG 80 1HH1 ARG 80 7.697 -11.290 -8.807 512 2HH1 ARG 80 2HH1 ARG 80 8.294 -12.774 -9.467 513 1HH2 ARG 80 1HH2 ARG 80 7.074 -14.768 -6.869 514 2HH2 ARG 80 2HH2 ARG 80 7.940 -14.749 -8.369 515 H ASP 81 H ASP 81 8.771 -11.835 -2.149 516 HA ASP 81 HA ASP 81 7.166 -13.629 -0.494 517 1HB ASP 81 2HB ASP 81 9.131 -14.205 -2.241 518 2HB ASP 81 1HB ASP 81 10.090 -14.053 -0.771 519 H PHE 82 H PHE 82 7.778 -10.861 0.334 520 HA PHE 82 HA PHE 82 9.733 -11.068 2.440 521 1HB PHE 82 2HB PHE 82 8.042 -8.942 1.273 522 2HB PHE 82 1HB PHE 82 8.392 -8.767 2.989 523 HD1 PHE 82 1HD PHE 82 9.704 -6.783 2.731 524 HD2 PHE 82 2HD PHE 82 10.737 -10.350 0.651 525 HE1 PHE 82 1HE PHE 82 11.901 -5.822 2.177 526 HE2 PHE 82 2HE PHE 82 12.934 -9.395 0.096 527 HZ PHE 82 HZ PHE 82 13.520 -7.127 0.858 528 H ASP 83 H ASP 83 9.094 -10.378 4.696 529 HA ASP 83 HA ASP 83 6.646 -11.819 5.466 530 1HB ASP 83 2HB ASP 83 9.346 -11.601 6.656 531 2HB ASP 83 1HB ASP 83 8.006 -11.572 7.797 532 H CYS 84 H CYS 84 5.497 -10.977 7.383 533 HA CYS 84 HA CYS 84 4.657 -8.368 7.066 534 1HB CYS 84 2HB CYS 84 4.298 -10.469 9.061 535 2HB CYS 84 1HB CYS 84 4.215 -8.856 9.760 536 HG CYS 84 HG CYS 84 2.331 -9.735 7.444 537 H CYS 85 H CYS 85 7.180 -9.631 9.190 538 HA CYS 85 HA CYS 85 7.703 -7.259 10.573 539 1HB CYS 85 2HB CYS 85 9.180 -9.800 10.099 540 2HB CYS 85 1HB CYS 85 10.085 -8.429 10.732 541 HG CYS 85 HG CYS 85 9.286 -9.513 12.839 542 H LEU 86 H LEU 86 8.508 -8.263 7.378 543 HA LEU 86 HA LEU 86 10.583 -6.230 7.096 544 1HB LEU 86 2HB LEU 86 9.673 -8.571 5.503 545 2HB LEU 86 1HB LEU 86 10.407 -7.238 4.633 546 HG LEU 86 HG LEU 86 12.439 -7.452 5.981 547 1HD1 LEU 86 1HD1 LEU 86 10.944 -9.704 7.308 548 2HD1 LEU 86 2HD1 LEU 86 11.553 -8.230 8.060 549 3HD1 LEU 86 3HD1 LEU 86 12.683 -9.443 7.456 550 1HD2 LEU 86 1HD2 LEU 86 11.879 -10.233 5.079 551 2HD2 LEU 86 2HD2 LEU 86 13.298 -9.221 4.808 552 3HD2 LEU 86 3HD2 LEU 86 11.819 -8.927 3.894 553 H VAL 87 H VAL 87 7.292 -6.912 6.140 554 HA VAL 87 HA VAL 87 7.137 -4.759 4.252 555 HB VAL 87 HB VAL 87 4.904 -6.350 5.524 556 1HG1 VAL 87 1HG1 VAL 87 4.987 -4.205 3.496 557 2HG1 VAL 87 2HG1 VAL 87 3.704 -4.662 4.615 558 3HG1 VAL 87 3HG1 VAL 87 3.950 -5.584 3.132 559 1HG2 VAL 87 1HG2 VAL 87 5.010 -7.363 3.096 560 2HG2 VAL 87 2HG2 VAL 87 6.043 -7.979 4.385 561 3HG2 VAL 87 3HG2 VAL 87 6.692 -6.849 3.197 562 H VAL 88 H VAL 88 6.295 -5.241 7.647 563 HA VAL 88 HA VAL 88 4.722 -2.972 8.017 564 HB VAL 88 HB VAL 88 6.579 -4.282 10.009 565 1HG1 VAL 88 1HG1 VAL 88 6.023 -1.993 10.678 566 2HG1 VAL 88 2HG1 VAL 88 5.259 -3.182 11.733 567 3HG1 VAL 88 3HG1 VAL 88 4.308 -2.361 10.494 568 1HG2 VAL 88 1HG2 VAL 88 4.399 -5.371 8.818 569 2HG2 VAL 88 2HG2 VAL 88 3.674 -4.614 10.235 570 3HG2 VAL 88 3HG2 VAL 88 4.971 -5.792 10.432 571 HA PRO 89 HA PRO 89 8.800 -0.554 9.075 572 1HB PRO 89 2HB PRO 89 10.886 -2.111 7.706 573 2HB PRO 89 1HB PRO 89 10.872 -1.460 9.348 574 1HG PRO 89 2HG PRO 89 10.668 -4.097 8.867 575 2HG PRO 89 1HG PRO 89 9.824 -3.320 10.219 576 1HD PRO 89 2HD PRO 89 8.756 -4.153 7.550 577 2HD PRO 89 1HD PRO 89 8.023 -4.327 9.154 578 H LEU 90 H LEU 90 9.101 -2.435 6.042 579 HA LEU 90 HA LEU 90 10.033 -0.389 4.419 580 1HB LEU 90 2HB LEU 90 8.257 -2.734 3.757 581 2HB LEU 90 1HB LEU 90 8.963 -1.685 2.544 582 HG LEU 90 HG LEU 90 10.684 -3.142 4.528 583 1HD1 LEU 90 1HD1 LEU 90 10.451 -4.322 1.860 584 2HD1 LEU 90 2HD1 LEU 90 9.003 -4.484 2.854 585 3HD1 LEU 90 3HD1 LEU 90 10.549 -5.096 3.442 586 1HD2 LEU 90 1HD2 LEU 90 11.295 -1.192 2.766 587 2HD2 LEU 90 2HD2 LEU 90 11.540 -2.620 1.760 588 3HD2 LEU 90 3HD2 LEU 90 12.423 -2.447 3.277 589 H ILE 91 H ILE 91 6.856 -1.015 5.652 590 HA ILE 91 HA ILE 91 5.457 0.693 3.833 591 HB ILE 91 HB ILE 91 4.738 -0.746 6.363 592 1HG1 ILE 91 2HG1 ILE 91 3.442 -0.751 3.634 593 2HG1 ILE 91 1HG1 ILE 91 4.747 -1.842 4.100 594 1HG2 ILE 91 1HG2 ILE 91 2.930 1.243 4.992 595 2HG2 ILE 91 2HG2 ILE 91 3.647 1.431 6.591 596 3HG2 ILE 91 3HG2 ILE 91 2.473 0.151 6.297 597 1HD1 ILE 91 1HD1 ILE 91 3.328 -2.750 5.878 598 2HD1 ILE 91 2HD1 ILE 91 2.606 -2.942 4.279 599 3HD1 ILE 91 3HD1 ILE 91 2.023 -1.681 5.367 600 H ALA 92 H ALA 92 6.521 0.991 7.214 601 HA ALA 92 HA ALA 92 5.640 3.693 7.423 602 1HB ALA 92 1HB ALA 92 5.547 2.655 9.462 603 2HB ALA 92 2HB ALA 92 7.081 3.512 9.595 604 3HB ALA 92 3HB ALA 92 7.064 1.792 9.211 605 H GLU 93 H GLU 93 8.232 2.386 5.840 606 HA GLU 93 HA GLU 93 10.144 4.446 6.573 607 1HB GLU 93 2HB GLU 93 10.232 1.901 5.084 608 2HB GLU 93 1HB GLU 93 11.329 3.152 4.513 609 1HG GLU 93 2HG GLU 93 12.247 3.353 6.781 610 2HG GLU 93 1HG GLU 93 11.182 2.051 7.309 611 H SER 94 H SER 94 7.634 4.123 4.362 612 HA SER 94 HA SER 94 8.693 5.459 2.122 613 1HB SER 94 2HB SER 94 6.019 4.700 3.088 614 2HB SER 94 1HB SER 94 6.051 6.095 2.013 615 HG SER 94 HG SER 94 6.795 4.867 0.405 616 H GLY 95 H GLY 95 7.520 6.573 5.157 617 1HA GLY 95 2HA GLY 95 7.978 8.687 6.082 618 2HA GLY 95 1HA GLY 95 8.328 9.290 4.470 619 H ASN 96 H ASN 96 6.219 9.040 2.997 620 HA ASN 96 HA ASN 96 3.734 9.527 4.325 621 1HB ASN 96 2HB ASN 96 3.438 11.856 3.553 622 2HB ASN 96 1HB ASN 96 4.747 11.702 4.721 623 1HD2 ASN 96 1HD2 ASN 96 6.841 12.059 4.084 624 2HD2 ASN 96 2HD2 ASN 96 7.253 12.749 2.549 625 H LYS 97 H LYS 97 5.086 8.022 2.041 626 HA LYS 97 HA LYS 97 2.837 8.026 0.291 627 1HB LYS 97 2HB LYS 97 4.591 9.980 -0.360 628 2HB LYS 97 1HB LYS 97 5.288 8.635 -1.254 629 1HG LYS 97 2HG LYS 97 3.183 8.279 -2.408 630 2HG LYS 97 1HG LYS 97 2.440 9.584 -1.482 631 1HD LYS 97 2HD LYS 97 3.007 10.558 -3.541 632 2HD LYS 97 1HD LYS 97 4.277 11.077 -2.432 633 1HE LYS 97 2HE LYS 97 5.651 9.143 -3.260 634 2HE LYS 97 1HE LYS 97 4.421 8.891 -4.498 635 1HZ LYS 97 1HZ LYS 97 5.581 10.328 -5.709 636 2HZ LYS 97 2HZ LYS 97 6.520 10.829 -4.396 637 3HZ LYS 97 3HZ LYS 97 5.015 11.547 -4.680 638 H LEU 98 H LEU 98 2.596 5.895 0.067 639 HA LEU 98 HA LEU 98 5.011 4.244 -0.228 640 1HB LEU 98 2HB LEU 98 2.639 3.962 1.349 641 2HB LEU 98 1HB LEU 98 2.756 2.608 0.246 642 HG LEU 98 HG LEU 98 4.851 3.453 2.250 643 1HD1 LEU 98 1HD1 LEU 98 3.764 0.761 2.393 644 2HD1 LEU 98 2HD1 LEU 98 2.545 2.010 2.649 645 3HD1 LEU 98 3HD1 LEU 98 3.990 1.966 3.659 646 1HD2 LEU 98 1HD2 LEU 98 6.323 2.021 1.333 647 2HD2 LEU 98 2HD2 LEU 98 5.379 2.283 -0.132 648 3HD2 LEU 98 3HD2 LEU 98 5.073 0.866 0.871 649 H ASP 99 H ASP 99 5.407 4.046 -2.353 650 HA ASP 99 HA ASP 99 3.191 3.390 -4.162 651 1HB ASP 99 2HB ASP 99 5.262 5.107 -4.538 652 2HB ASP 99 1HB ASP 99 5.944 3.640 -5.232 653 H LEU 100 H LEU 100 2.793 1.289 -4.505 654 HA LEU 100 HA LEU 100 5.010 -0.568 -4.805 655 1HB LEU 100 2HB LEU 100 3.808 -2.150 -3.174 656 2HB LEU 100 1HB LEU 100 4.812 -0.868 -2.524 657 HG LEU 100 HG LEU 100 2.256 0.255 -2.713 658 1HD1 LEU 100 1HD1 LEU 100 0.901 -1.537 -2.802 659 2HD1 LEU 100 2HD1 LEU 100 1.234 -1.615 -1.072 660 3HD1 LEU 100 3HD1 LEU 100 2.135 -2.639 -2.191 661 1HD2 LEU 100 1HD2 LEU 100 4.256 0.132 -0.901 662 2HD2 LEU 100 2HD2 LEU 100 3.045 -0.883 -0.117 663 3HD2 LEU 100 3HD2 LEU 100 2.650 0.778 -0.560 664 H VAL 101 H VAL 101 4.385 -2.663 -5.569 665 HA VAL 101 HA VAL 101 1.882 -2.612 -7.123 666 HB VAL 101 HB VAL 101 4.251 -4.425 -7.580 667 1HG1 VAL 101 1HG1 VAL 101 2.048 -5.097 -8.510 668 2HG1 VAL 101 2HG1 VAL 101 3.274 -4.803 -9.743 669 3HG1 VAL 101 3HG1 VAL 101 2.025 -3.595 -9.437 670 1HG2 VAL 101 1HG2 VAL 101 5.239 -2.372 -7.973 671 2HG2 VAL 101 2HG2 VAL 101 3.739 -1.643 -8.547 672 3HG2 VAL 101 3HG2 VAL 101 4.611 -2.787 -9.567 673 H ILE 102 H ILE 102 0.316 -3.670 -6.051 674 HA ILE 102 HA ILE 102 1.049 -6.022 -4.438 675 HB ILE 102 HB ILE 102 -1.191 -5.831 -3.453 676 1HG1 ILE 102 2HG1 ILE 102 -2.371 -3.557 -4.029 677 2HG1 ILE 102 1HG1 ILE 102 -1.472 -3.691 -5.536 678 1HG2 ILE 102 1HG2 ILE 102 0.958 -4.118 -3.049 679 2HG2 ILE 102 2HG2 ILE 102 -0.390 -4.399 -1.948 680 3HG2 ILE 102 3HG2 ILE 102 -0.449 -3.056 -3.089 681 1HD1 ILE 102 1HD1 ILE 102 -2.825 -5.273 -6.332 682 2HD1 ILE 102 2HD1 ILE 102 -3.938 -4.749 -5.068 683 3HD1 ILE 102 3HD1 ILE 102 -2.881 -6.134 -4.796 684 H SER 103 H SER 103 -0.447 -7.894 -4.497 685 HA SER 103 HA SER 103 -1.939 -8.226 -6.982 686 1HB SER 103 2HB SER 103 -0.693 -9.952 -7.863 687 2HB SER 103 1HB SER 103 0.592 -9.009 -7.109 688 HG SER 103 HG SER 103 0.784 -11.184 -6.536 689 H ARG 104 H ARG 104 -3.773 -9.350 -6.662 690 HA ARG 104 HA ARG 104 -3.883 -11.316 -4.507 691 1HB ARG 104 2HB ARG 104 -6.130 -10.312 -3.789 692 2HB ARG 104 1HB ARG 104 -4.665 -9.500 -3.259 693 1HG ARG 104 2HG ARG 104 -5.901 -7.712 -3.935 694 2HG ARG 104 1HG ARG 104 -5.050 -8.080 -5.433 695 1HD ARG 104 2HD ARG 104 -6.985 -9.344 -6.227 696 2HD ARG 104 1HD ARG 104 -7.830 -9.014 -4.717 697 HE ARG 104 HE ARG 104 -8.451 -7.023 -5.611 698 1HH1 ARG 104 1HH1 ARG 104 -5.523 -8.045 -7.208 699 2HH1 ARG 104 2HH1 ARG 104 -5.454 -6.659 -8.240 700 1HH2 ARG 104 1HH2 ARG 104 -8.371 -5.204 -6.981 701 2HH2 ARG 104 2HH2 ARG 104 -7.074 -5.049 -8.119 702 H ASN 105 H ASN 105 -5.431 -12.907 -4.766 703 HA ASN 105 HA ASN 105 -6.249 -13.426 -7.433 704 1HB ASN 105 2HB ASN 105 -7.388 -15.411 -6.435 705 2HB ASN 105 1HB ASN 105 -5.691 -15.272 -5.983 706 1HD2 ASN 105 1HD2 ASN 105 -5.151 -14.673 -3.882 707 2HD2 ASN 105 2HD2 ASN 105 -6.290 -14.789 -2.582 708 HA PRO 106 HA PRO 106 -10.021 -11.040 -7.487 709 1HB PRO 106 2HB PRO 106 -10.795 -13.071 -9.519 710 2HB PRO 106 1HB PRO 106 -10.821 -11.307 -9.624 711 1HG PRO 106 2HG PRO 106 -8.935 -12.703 -10.876 712 2HG PRO 106 1HG PRO 106 -8.547 -11.169 -10.076 713 1HD PRO 106 2HD PRO 106 -8.010 -13.967 -9.172 714 2HD PRO 106 1HD PRO 106 -7.001 -12.515 -9.012 Start of MODEL 15 1 1H SER 16 1HT SER 16 -10.987 -13.587 -13.316 2 2H SER 16 2HT SER 16 -11.778 -12.162 -12.779 3 3H SER 16 3HT SER 16 -12.587 -13.249 -13.829 4 HA SER 16 HA SER 16 -12.347 -13.252 -11.008 5 1HB SER 16 2HB SER 16 -14.069 -14.381 -13.169 6 2HB SER 16 1HB SER 16 -14.164 -15.123 -11.573 7 HG SER 16 HG SER 16 -15.127 -13.397 -10.825 8 HA PRO 17 HA PRO 17 -11.194 -17.905 -11.554 9 1HB PRO 17 2HB PRO 17 -10.456 -18.754 -14.030 10 2HB PRO 17 1HB PRO 17 -12.125 -18.806 -13.449 11 1HG PRO 17 2HG PRO 17 -10.799 -16.790 -15.220 12 2HG PRO 17 1HG PRO 17 -12.404 -17.529 -15.371 13 1HD PRO 17 2HD PRO 17 -12.041 -15.048 -14.366 14 2HD PRO 17 1HD PRO 17 -13.339 -16.119 -13.802 15 H THR 18 H THR 18 -9.497 -15.744 -13.801 16 HA THR 18 HA THR 18 -6.960 -16.827 -13.667 17 HB THR 18 HB THR 18 -7.429 -13.859 -13.734 18 HG1 THR 18 1HG THR 18 -7.918 -14.094 -15.934 19 1HG2 THR 18 1HG2 THR 18 -5.411 -15.696 -14.956 20 2HG2 THR 18 2HG2 THR 18 -5.154 -14.272 -13.950 21 3HG2 THR 18 3HG2 THR 18 -5.718 -14.088 -15.611 22 HA PRO 19 HA PRO 19 -5.495 -16.278 -9.534 23 1HB PRO 19 2HB PRO 19 -2.933 -15.418 -10.774 24 2HB PRO 19 1HB PRO 19 -3.242 -16.705 -9.604 25 1HG PRO 19 2HG PRO 19 -2.726 -17.280 -12.153 26 2HG PRO 19 1HG PRO 19 -3.931 -18.203 -11.237 27 1HD PRO 19 2HD PRO 19 -4.333 -16.064 -13.285 28 2HD PRO 19 1HD PRO 19 -5.261 -17.553 -13.011 29 H VAL 20 H VAL 20 -3.629 -14.544 -8.579 30 HA VAL 20 HA VAL 20 -5.013 -12.193 -8.162 31 HB VAL 20 HB VAL 20 -2.911 -11.255 -7.279 32 1HG1 VAL 20 1HG1 VAL 20 -2.722 -13.976 -6.225 33 2HG1 VAL 20 2HG1 VAL 20 -4.365 -13.338 -6.285 34 3HG1 VAL 20 3HG1 VAL 20 -3.111 -12.464 -5.406 35 1HG2 VAL 20 1HG2 VAL 20 -1.472 -12.303 -9.061 36 2HG2 VAL 20 2HG2 VAL 20 -1.591 -13.814 -8.162 37 3HG2 VAL 20 3HG2 VAL 20 -0.837 -12.405 -7.418 38 H GLU 21 H GLU 21 -4.193 -9.956 -8.662 39 HA GLU 21 HA GLU 21 -3.064 -9.750 -11.362 40 1HB GLU 21 2HB GLU 21 -5.660 -8.610 -10.376 41 2HB GLU 21 1HB GLU 21 -4.760 -7.792 -11.646 42 1HG GLU 21 2HG GLU 21 -4.968 -10.578 -12.258 43 2HG GLU 21 1HG GLU 21 -6.564 -9.927 -11.896 44 H LEU 22 H LEU 22 -1.379 -8.425 -11.365 45 HA LEU 22 HA LEU 22 -0.561 -6.957 -9.123 46 1HB LEU 22 2HB LEU 22 0.302 -7.124 -11.969 47 2HB LEU 22 1HB LEU 22 0.937 -5.826 -10.974 48 HG LEU 22 HG LEU 22 1.182 -8.769 -10.369 49 1HD1 LEU 22 1HD1 LEU 22 3.564 -8.430 -10.864 50 2HD1 LEU 22 2HD1 LEU 22 3.216 -6.775 -11.362 51 3HD1 LEU 22 3HD1 LEU 22 2.547 -8.130 -12.272 52 1HD2 LEU 22 1HD2 LEU 22 1.738 -6.316 -8.833 53 2HD2 LEU 22 2HD2 LEU 22 3.007 -7.539 -8.814 54 3HD2 LEU 22 3HD2 LEU 22 1.379 -7.947 -8.276 55 H HIS 23 H HIS 23 -0.778 -4.875 -8.515 56 HA HIS 23 HA HIS 23 -2.009 -2.960 -10.345 57 1HB HIS 23 2HB HIS 23 -3.074 -3.382 -7.547 58 2HB HIS 23 1HB HIS 23 -3.707 -2.288 -8.773 59 HD1 HIS 23 1HD HIS 23 -4.013 -4.080 -11.168 60 HD2 HIS 23 2HD HIS 23 -4.957 -5.302 -7.312 61 HE1 HIS 23 1HE HIS 23 -5.641 -5.976 -11.444 62 HE2 HIS 23 2HE HIS 23 -6.110 -6.772 -9.100 63 H LYS 24 H LYS 24 -0.805 -1.189 -10.338 64 HA LYS 24 HA LYS 24 1.147 -0.701 -8.295 65 1HB LYS 24 2HB LYS 24 1.491 -0.160 -10.711 66 2HB LYS 24 1HB LYS 24 0.288 1.112 -10.557 67 1HG LYS 24 2HG LYS 24 1.842 1.940 -8.625 68 2HG LYS 24 1HG LYS 24 3.056 0.979 -9.472 69 1HD LYS 24 2HD LYS 24 1.896 2.350 -11.527 70 2HD LYS 24 1HD LYS 24 1.811 3.528 -10.216 71 1HE LYS 24 2HE LYS 24 3.873 3.842 -11.409 72 2HE LYS 24 1HE LYS 24 4.232 3.183 -9.814 73 1HZ LYS 24 1HZ LYS 24 4.573 1.979 -12.440 74 2HZ LYS 24 2HZ LYS 24 4.045 0.944 -11.211 75 3HZ LYS 24 3HZ LYS 24 5.497 1.792 -11.034 76 H VAL 25 H VAL 25 0.564 0.068 -6.366 77 HA VAL 25 HA VAL 25 -1.524 2.143 -6.273 78 HB VAL 25 HB VAL 25 -1.170 1.060 -3.682 79 1HG1 VAL 25 1HG1 VAL 25 -3.558 0.078 -4.537 80 2HG1 VAL 25 2HG1 VAL 25 -3.284 1.392 -5.681 81 3HG1 VAL 25 3HG1 VAL 25 -3.294 1.719 -3.948 82 1HG2 VAL 25 1HG2 VAL 25 -1.688 -1.286 -3.972 83 2HG2 VAL 25 2HG2 VAL 25 -0.165 -0.907 -4.779 84 3HG2 VAL 25 3HG2 VAL 25 -1.638 -1.106 -5.727 85 H THR 26 H THR 26 -1.179 3.981 -5.127 86 HA THR 26 HA THR 26 1.373 4.272 -3.705 87 HB THR 26 HB THR 26 0.230 6.226 -5.716 88 HG1 THR 26 1HG THR 26 2.627 4.711 -5.752 89 1HG2 THR 26 1HG2 THR 26 2.684 6.442 -3.992 90 2HG2 THR 26 2HG2 THR 26 1.275 7.502 -3.985 91 3HG2 THR 26 3HG2 THR 26 2.345 7.468 -5.387 92 H LEU 27 H LEU 27 0.702 4.552 -1.658 93 HA LEU 27 HA LEU 27 -1.685 6.163 -1.136 94 1HB LEU 27 2HB LEU 27 -0.062 4.345 0.640 95 2HB LEU 27 1HB LEU 27 -1.434 5.286 1.194 96 HG LEU 27 HG LEU 27 -1.455 3.003 -0.773 97 1HD1 LEU 27 1HD1 LEU 27 -1.378 2.489 1.660 98 2HD1 LEU 27 2HD1 LEU 27 -2.833 1.910 0.850 99 3HD1 LEU 27 3HD1 LEU 27 -2.898 3.363 1.846 100 1HD2 LEU 27 1HD2 LEU 27 -3.686 4.887 -0.016 101 2HD2 LEU 27 2HD2 LEU 27 -3.896 3.375 -0.900 102 3HD2 LEU 27 3HD2 LEU 27 -2.962 4.691 -1.613 103 H TYR 28 H TYR 28 -1.467 7.290 1.155 104 HA TYR 28 HA TYR 28 1.057 8.779 1.292 105 1HB TYR 28 2HB TYR 28 -1.704 10.022 1.276 106 2HB TYR 28 1HB TYR 28 -0.209 10.887 1.608 107 HD1 TYR 28 1HD TYR 28 1.529 11.045 -0.227 108 HD2 TYR 28 2HD TYR 28 -2.437 9.676 -0.933 109 HE1 TYR 28 1HE TYR 28 1.810 11.488 -2.629 110 HE2 TYR 28 2HE TYR 28 -2.166 10.114 -3.338 111 HH TYR 28 HH TYR 28 0.184 12.006 -4.609 112 H LYS 29 H LYS 29 1.744 9.193 3.339 113 HA LYS 29 HA LYS 29 0.074 8.155 5.510 114 1HB LYS 29 2HB LYS 29 2.756 7.799 4.908 115 2HB LYS 29 1HB LYS 29 2.782 8.943 6.241 116 1HG LYS 29 2HG LYS 29 1.139 7.276 7.363 117 2HG LYS 29 1HG LYS 29 1.780 6.135 6.181 118 1HD LYS 29 2HD LYS 29 3.374 5.760 7.716 119 2HD LYS 29 1HD LYS 29 4.062 7.278 7.136 120 1HE LYS 29 2HE LYS 29 2.303 8.238 8.917 121 2HE LYS 29 1HE LYS 29 2.636 6.672 9.655 122 1HZ LYS 29 1HZ LYS 29 4.114 8.832 10.082 123 2HZ LYS 29 2HZ LYS 29 4.954 8.181 8.767 124 3HZ LYS 29 3HZ LYS 29 4.733 7.259 10.167 125 H ASP 30 H ASP 30 0.243 9.281 7.632 126 HA ASP 30 HA ASP 30 0.286 12.206 7.263 127 1HB ASP 30 2HB ASP 30 -1.998 11.151 7.627 128 2HB ASP 30 1HB ASP 30 -1.449 10.733 9.248 129 H SER 31 H SER 31 1.551 13.347 8.590 130 HA SER 31 HA SER 31 3.464 12.134 10.219 131 1HB SER 31 2HB SER 31 3.508 14.629 11.197 132 2HB SER 31 1HB SER 31 4.171 14.224 9.614 133 HG SER 31 HG SER 31 2.684 15.410 8.732 134 H GLY 32 H GLY 32 2.309 10.707 11.602 135 1HA GLY 32 2HA GLY 32 2.049 11.362 14.205 136 2HA GLY 32 1HA GLY 32 0.478 11.803 13.557 137 H MET 33 H MET 33 0.206 9.734 11.662 138 HA MET 33 HA MET 33 -0.594 7.596 13.428 139 1HB MET 33 2HB MET 33 -0.793 7.586 10.423 140 2HB MET 33 1HB MET 33 -1.780 6.702 11.580 141 1HG MET 33 2HG MET 33 -2.011 9.486 12.127 142 2HG MET 33 1HG MET 33 -2.272 9.222 10.404 143 1HE MET 33 1HE MET 33 -5.384 9.946 12.444 144 2HE MET 33 2HE MET 33 -3.734 10.158 13.028 145 3HE MET 33 3HE MET 33 -4.798 8.983 13.801 146 H GLU 34 H GLU 34 -0.141 5.302 12.833 147 HA GLU 34 HA GLU 34 2.678 5.024 12.063 148 1HB GLU 34 2HB GLU 34 2.124 4.319 14.363 149 2HB GLU 34 1HB GLU 34 0.974 3.158 13.716 150 1HG GLU 34 2HG GLU 34 3.587 2.829 12.530 151 2HG GLU 34 1HG GLU 34 3.652 2.722 14.288 152 H ASP 35 H ASP 35 -0.539 3.991 11.390 153 HA ASP 35 HA ASP 35 0.281 1.873 9.596 154 1HB ASP 35 2HB ASP 35 -2.396 3.011 10.385 155 2HB ASP 35 1HB ASP 35 -2.234 1.830 9.087 156 H PHE 36 H PHE 36 -0.720 1.863 7.343 157 HA PHE 36 HA PHE 36 -0.442 4.544 6.151 158 1HB PHE 36 2HB PHE 36 1.192 2.362 5.701 159 2HB PHE 36 1HB PHE 36 0.086 2.322 4.331 160 HD1 PHE 36 1HD PHE 36 3.069 3.674 5.578 161 HD2 PHE 36 2HD PHE 36 -0.280 4.626 3.133 162 HE1 PHE 36 1HE PHE 36 4.377 5.450 4.489 163 HE2 PHE 36 2HE PHE 36 1.022 6.405 2.039 164 HZ PHE 36 HZ PHE 36 3.354 6.819 2.717 165 H GLY 37 H GLY 37 -2.878 3.192 7.076 166 1HA GLY 37 2HA GLY 37 -5.048 3.463 6.210 167 2HA GLY 37 1HA GLY 37 -4.374 3.481 4.589 168 H PHE 38 H PHE 38 -3.015 0.916 6.234 169 HA PHE 38 HA PHE 38 -5.084 -0.984 6.175 170 1HB PHE 38 2HB PHE 38 -4.663 -2.189 4.158 171 2HB PHE 38 1HB PHE 38 -4.907 -0.505 3.720 172 HD1 PHE 38 1HD PHE 38 -3.347 0.585 2.385 173 HD2 PHE 38 2HD PHE 38 -2.233 -2.999 4.395 174 HE1 PHE 38 1HE PHE 38 -1.222 0.552 1.146 175 HE2 PHE 38 2HE PHE 38 -0.106 -3.034 3.161 176 HZ PHE 38 HZ PHE 38 0.400 -1.262 1.528 177 H SER 39 H SER 39 -4.477 -2.866 7.123 178 HA SER 39 HA SER 39 -1.661 -3.061 7.921 179 1HB SER 39 2HB SER 39 -3.992 -4.627 9.044 180 2HB SER 39 1HB SER 39 -2.392 -4.416 9.756 181 HG SER 39 HG SER 39 -4.423 -2.466 9.434 182 H VAL 40 H VAL 40 -0.502 -5.000 7.687 183 HA VAL 40 HA VAL 40 -1.617 -6.818 5.655 184 HB VAL 40 HB VAL 40 0.675 -7.319 4.989 185 1HG1 VAL 40 1HG1 VAL 40 -0.365 -5.575 3.764 186 2HG1 VAL 40 2HG1 VAL 40 1.278 -5.037 4.113 187 3HG1 VAL 40 3HG1 VAL 40 -0.075 -4.406 5.052 188 1HG2 VAL 40 1HG2 VAL 40 1.298 -5.795 7.421 189 2HG2 VAL 40 2HG2 VAL 40 2.311 -5.416 6.027 190 3HG2 VAL 40 3HG2 VAL 40 2.207 -7.074 6.619 191 H ALA 41 H ALA 41 -0.794 -9.064 5.724 192 HA ALA 41 HA ALA 41 -0.132 -9.983 8.435 193 1HB ALA 41 1HB ALA 41 -1.801 -11.657 8.434 194 2HB ALA 41 2HB ALA 41 -2.188 -11.376 6.736 195 3HB ALA 41 3HB ALA 41 -2.607 -10.165 7.949 196 H ASP 42 H ASP 42 0.411 -12.425 8.352 197 HA ASP 42 HA ASP 42 2.440 -12.747 6.315 198 1HB ASP 42 2HB ASP 42 1.849 -13.914 8.946 199 2HB ASP 42 1HB ASP 42 2.497 -15.065 7.779 200 H GLY 43 H GLY 43 2.709 -14.863 5.210 201 1HA GLY 43 2HA GLY 43 0.086 -15.803 4.246 202 2HA GLY 43 1HA GLY 43 1.578 -15.845 3.318 203 H LEU 44 H LEU 44 -0.564 -17.759 4.828 204 HA LEU 44 HA LEU 44 1.379 -19.634 5.926 205 1HB LEU 44 2HB LEU 44 -1.636 -19.690 5.916 206 2HB LEU 44 1HB LEU 44 -0.617 -20.898 6.675 207 HG LEU 44 HG LEU 44 -0.225 -18.071 7.504 208 1HD1 LEU 44 1HD1 LEU 44 -2.651 -18.257 7.452 209 2HD1 LEU 44 2HD1 LEU 44 -2.058 -18.216 9.112 210 3HD1 LEU 44 3HD1 LEU 44 -2.568 -19.744 8.395 211 1HD2 LEU 44 1HD2 LEU 44 -0.321 -20.658 9.048 212 2HD2 LEU 44 2HD2 LEU 44 0.246 -19.094 9.631 213 3HD2 LEU 44 3HD2 LEU 44 1.143 -19.942 8.372 214 H LEU 45 H LEU 45 0.427 -19.003 2.927 215 HA LEU 45 HA LEU 45 0.946 -21.689 2.048 216 1HB LEU 45 2HB LEU 45 -1.735 -20.435 1.816 217 2HB LEU 45 1HB LEU 45 -1.162 -21.404 0.471 218 HG LEU 45 HG LEU 45 -0.747 -22.869 2.895 219 1HD1 LEU 45 1HD1 LEU 45 -2.618 -21.293 3.634 220 2HD1 LEU 45 2HD1 LEU 45 -2.876 -23.025 3.842 221 3HD1 LEU 45 3HD1 LEU 45 -3.637 -22.176 2.497 222 1HD2 LEU 45 1HD2 LEU 45 -2.678 -24.208 1.597 223 2HD2 LEU 45 2HD2 LEU 45 -0.979 -24.246 1.122 224 3HD2 LEU 45 3HD2 LEU 45 -2.104 -23.169 0.293 225 H GLU 46 H GLU 46 0.128 -18.406 1.213 226 HA GLU 46 HA GLU 46 1.292 -18.666 -1.435 227 1HB GLU 46 2HB GLU 46 0.382 -16.064 -0.256 228 2HB GLU 46 1HB GLU 46 0.385 -16.577 -1.936 229 1HG GLU 46 2HG GLU 46 -1.461 -17.550 0.231 230 2HG GLU 46 1HG GLU 46 -1.872 -16.473 -1.102 231 H LYS 47 H LYS 47 2.844 -18.745 1.220 232 HA LYS 47 HA LYS 47 4.648 -17.678 2.232 233 1HB LYS 47 2HB LYS 47 5.236 -18.800 -0.412 234 2HB LYS 47 1HB LYS 47 6.463 -17.692 0.187 235 1HG LYS 47 2HG LYS 47 5.418 -20.058 1.725 236 2HG LYS 47 1HG LYS 47 6.886 -20.068 0.746 237 1HD LYS 47 2HD LYS 47 8.005 -18.624 2.182 238 2HD LYS 47 1HD LYS 47 6.508 -18.007 2.884 239 1HE LYS 47 2HE LYS 47 6.200 -19.911 4.199 240 2HE LYS 47 1HE LYS 47 7.311 -20.875 3.227 241 1HZ LYS 47 1HZ LYS 47 8.125 -18.586 4.935 242 2HZ LYS 47 2HZ LYS 47 9.154 -19.634 4.095 243 3HZ LYS 47 3HZ LYS 47 8.235 -20.210 5.394 244 H GLY 48 H GLY 48 3.707 -15.540 2.484 245 1HA GLY 48 2HA GLY 48 5.383 -13.481 1.695 246 2HA GLY 48 1HA GLY 48 4.068 -13.507 0.530 247 H VAL 49 H VAL 49 3.682 -11.323 1.384 248 HA VAL 49 HA VAL 49 1.959 -11.443 3.767 249 HB VAL 49 HB VAL 49 3.790 -9.143 3.066 250 1HG1 VAL 49 1HG1 VAL 49 2.680 -9.244 5.755 251 2HG1 VAL 49 2HG1 VAL 49 1.442 -9.096 4.507 252 3HG1 VAL 49 3HG1 VAL 49 2.743 -7.909 4.604 253 1HG2 VAL 49 1HG2 VAL 49 5.355 -9.933 4.482 254 2HG2 VAL 49 2HG2 VAL 49 4.600 -11.489 4.140 255 3HG2 VAL 49 3HG2 VAL 49 4.160 -10.597 5.596 256 H TYR 50 H TYR 50 0.038 -10.373 3.630 257 HA TYR 50 HA TYR 50 -0.444 -8.682 1.284 258 1HB TYR 50 2HB TYR 50 -2.806 -10.229 1.869 259 2HB TYR 50 1HB TYR 50 -1.928 -10.072 0.352 260 HD1 TYR 50 1HD TYR 50 -2.813 -12.256 3.012 261 HD2 TYR 50 2HD TYR 50 0.160 -11.547 0.055 262 HE1 TYR 50 1HE TYR 50 -2.063 -14.585 3.215 263 HE2 TYR 50 2HE TYR 50 0.918 -13.875 0.246 264 HH TYR 50 HH TYR 50 -0.868 -16.257 1.947 265 H VAL 51 H VAL 51 -2.535 -7.468 1.482 266 HA VAL 51 HA VAL 51 -2.623 -6.172 4.020 267 HB VAL 51 HB VAL 51 -4.497 -5.875 1.668 268 1HG1 VAL 51 1HG1 VAL 51 -5.606 -4.944 3.513 269 2HG1 VAL 51 2HG1 VAL 51 -4.817 -3.573 2.732 270 3HG1 VAL 51 3HG1 VAL 51 -4.116 -4.284 4.186 271 1HG2 VAL 51 1HG2 VAL 51 -1.998 -4.365 2.423 272 2HG2 VAL 51 2HG2 VAL 51 -3.130 -3.865 1.164 273 3HG2 VAL 51 3HG2 VAL 51 -2.237 -5.378 0.999 274 H LYS 52 H LYS 52 -3.721 -6.765 5.740 275 HA LYS 52 HA LYS 52 -5.761 -8.809 5.550 276 1HB LYS 52 2HB LYS 52 -4.174 -9.131 7.297 277 2HB LYS 52 1HB LYS 52 -4.354 -7.476 7.856 278 1HG LYS 52 2HG LYS 52 -5.738 -8.274 9.391 279 2HG LYS 52 1HG LYS 52 -6.902 -8.525 8.091 280 1HD LYS 52 2HD LYS 52 -6.552 -10.770 8.023 281 2HD LYS 52 1HD LYS 52 -4.852 -10.624 8.474 282 1HE LYS 52 2HE LYS 52 -7.000 -9.992 10.455 283 2HE LYS 52 1HE LYS 52 -6.538 -11.666 10.151 284 1HZ LYS 52 1HZ LYS 52 -4.379 -9.774 10.653 285 2HZ LYS 52 2HZ LYS 52 -4.537 -11.388 11.132 286 3HZ LYS 52 3HZ LYS 52 -5.359 -10.173 11.974 287 H ASN 53 H ASN 53 -5.491 -5.414 6.190 288 HA ASN 53 HA ASN 53 -8.340 -5.091 5.881 289 1HB ASN 53 2HB ASN 53 -6.998 -4.597 8.530 290 2HB ASN 53 1HB ASN 53 -8.473 -3.750 8.072 291 1HD2 ASN 53 1HD2 ASN 53 -7.146 -6.571 9.363 292 2HD2 ASN 53 2HD2 ASN 53 -8.602 -7.510 9.450 293 H ILE 54 H ILE 54 -8.990 -2.923 5.545 294 HA ILE 54 HA ILE 54 -6.812 -0.975 5.240 295 HB ILE 54 HB ILE 54 -9.008 -1.423 3.223 296 1HG1 ILE 54 2HG1 ILE 54 -6.413 -2.703 3.570 297 2HG1 ILE 54 1HG1 ILE 54 -7.745 -3.137 2.504 298 1HG2 ILE 54 1HG2 ILE 54 -6.548 0.295 2.965 299 2HG2 ILE 54 2HG2 ILE 54 -8.109 0.910 3.503 300 3HG2 ILE 54 3HG2 ILE 54 -7.940 0.228 1.885 301 1HD1 ILE 54 1HD1 ILE 54 -5.429 -1.318 1.967 302 2HD1 ILE 54 2HD1 ILE 54 -6.895 -1.262 0.988 303 3HD1 ILE 54 3HD1 ILE 54 -5.951 -2.748 1.077 304 H ARG 55 H ARG 55 -7.342 1.131 5.695 305 HA ARG 55 HA ARG 55 -9.563 1.610 7.366 306 1HB ARG 55 2HB ARG 55 -7.202 2.883 6.902 307 2HB ARG 55 1HB ARG 55 -8.327 3.962 6.091 308 1HG ARG 55 2HG ARG 55 -8.736 4.891 8.057 309 2HG ARG 55 1HG ARG 55 -9.525 3.388 8.538 310 1HD ARG 55 2HD ARG 55 -6.909 2.763 8.925 311 2HD ARG 55 1HD ARG 55 -6.910 4.485 9.304 312 HE ARG 55 HE ARG 55 -9.023 3.545 10.706 313 1HH1 ARG 55 1HH1 ARG 55 -5.678 2.570 10.494 314 2HH1 ARG 55 2HH1 ARG 55 -5.620 1.976 12.120 315 1HH2 ARG 55 1HH2 ARG 55 -8.948 2.761 12.843 316 2HH2 ARG 55 2HH2 ARG 55 -7.474 2.084 13.453 317 HA PRO 56 HA PRO 56 -12.691 1.994 4.160 318 1HB PRO 56 2HB PRO 56 -14.084 3.375 6.404 319 2HB PRO 56 1HB PRO 56 -14.663 2.087 5.341 320 1HG PRO 56 2HG PRO 56 -13.940 1.550 7.845 321 2HG PRO 56 1HG PRO 56 -13.553 0.429 6.525 322 1HD PRO 56 2HD PRO 56 -11.779 2.350 7.967 323 2HD PRO 56 1HD PRO 56 -11.414 0.731 7.335 324 H ALA 57 H ALA 57 -12.985 3.540 2.689 325 HA ALA 57 HA ALA 57 -12.644 5.524 1.601 326 1HB ALA 57 1HB ALA 57 -14.804 5.675 3.195 327 2HB ALA 57 2HB ALA 57 -14.311 6.960 2.091 328 3HB ALA 57 3HB ALA 57 -13.879 7.049 3.798 329 H GLY 58 H GLY 58 -10.457 4.770 3.365 330 1HA GLY 58 2HA GLY 58 -9.479 7.434 4.182 331 2HA GLY 58 1HA GLY 58 -8.904 5.909 4.845 332 HA PRO 59 HA PRO 59 -5.734 7.425 1.763 333 1HB PRO 59 2HB PRO 59 -3.829 5.790 3.032 334 2HB PRO 59 1HB PRO 59 -4.015 7.533 3.235 335 1HG PRO 59 2HG PRO 59 -4.994 5.307 4.950 336 2HG PRO 59 1HG PRO 59 -4.447 6.927 5.412 337 1HD PRO 59 2HD PRO 59 -7.046 6.271 5.405 338 2HD PRO 59 1HD PRO 59 -6.498 7.892 4.927 339 H GLY 60 H GLY 60 -5.549 4.141 3.155 340 1HA GLY 60 2HA GLY 60 -4.746 2.854 0.820 341 2HA GLY 60 1HA GLY 60 -5.560 2.071 2.164 342 H ASP 61 H ASP 61 -8.008 3.629 1.937 343 HA ASP 61 HA ASP 61 -9.315 2.035 -0.038 344 1HB ASP 61 2HB ASP 61 -10.235 2.956 2.224 345 2HB ASP 61 1HB ASP 61 -10.595 4.405 1.290 346 H LEU 62 H LEU 62 -8.163 5.321 0.177 347 HA LEU 62 HA LEU 62 -9.503 6.253 -2.155 348 1HB LEU 62 2HB LEU 62 -7.234 7.310 -0.496 349 2HB LEU 62 1HB LEU 62 -7.722 8.106 -1.980 350 HG LEU 62 HG LEU 62 -9.424 7.697 0.478 351 1HD1 LEU 62 1HD1 LEU 62 -9.404 10.333 0.060 352 2HD1 LEU 62 2HD1 LEU 62 -7.822 9.932 -0.605 353 3HD1 LEU 62 3HD1 LEU 62 -8.208 9.513 1.064 354 1HD2 LEU 62 1HD2 LEU 62 -11.069 7.637 -1.077 355 2HD2 LEU 62 2HD2 LEU 62 -10.095 8.445 -2.304 356 3HD2 LEU 62 3HD2 LEU 62 -10.851 9.386 -1.018 357 H GLY 63 H GLY 63 -6.530 4.583 -1.513 358 1HA GLY 63 2HA GLY 63 -5.285 5.181 -4.026 359 2HA GLY 63 1HA GLY 63 -4.779 3.953 -2.876 360 H GLY 64 H GLY 64 -6.855 2.254 -2.712 361 1HA GLY 64 2HA GLY 64 -8.471 1.310 -4.465 362 2HA GLY 64 1HA GLY 64 -7.038 1.248 -5.479 363 H LEU 65 H LEU 65 -5.764 0.593 -2.602 364 HA LEU 65 HA LEU 65 -5.313 -2.108 -3.088 365 1HB LEU 65 2HB LEU 65 -5.231 -0.678 -0.430 366 2HB LEU 65 1HB LEU 65 -4.475 -2.220 -0.787 367 HG LEU 65 HG LEU 65 -3.361 -0.639 -2.706 368 1HD1 LEU 65 1HD1 LEU 65 -4.051 1.462 -2.128 369 2HD1 LEU 65 2HD1 LEU 65 -2.575 1.343 -1.170 370 3HD1 LEU 65 3HD1 LEU 65 -4.143 1.079 -0.408 371 1HD2 LEU 65 1HD2 LEU 65 -1.482 -0.413 -0.874 372 2HD2 LEU 65 2HD2 LEU 65 -1.895 -1.979 -1.570 373 3HD2 LEU 65 3HD2 LEU 65 -2.530 -1.523 0.010 374 H LYS 66 H LYS 66 -6.443 -3.909 -2.743 375 HA LYS 66 HA LYS 66 -8.864 -3.727 -1.073 376 1HB LYS 66 2HB LYS 66 -8.381 -4.892 -3.745 377 2HB LYS 66 1HB LYS 66 -9.362 -5.869 -2.660 378 1HG LYS 66 2HG LYS 66 -10.646 -3.611 -2.298 379 2HG LYS 66 1HG LYS 66 -9.935 -3.210 -3.862 380 1HD LYS 66 2HD LYS 66 -11.199 -5.872 -3.637 381 2HD LYS 66 1HD LYS 66 -12.285 -4.483 -3.588 382 1HE LYS 66 2HE LYS 66 -10.684 -3.801 -5.660 383 2HE LYS 66 1HE LYS 66 -10.676 -5.559 -5.806 384 1HZ LYS 66 1HZ LYS 66 -13.195 -4.036 -5.519 385 2HZ LYS 66 2HZ LYS 66 -12.978 -5.612 -6.093 386 3HZ LYS 66 3HZ LYS 66 -12.483 -4.296 -7.032 387 HA PRO 67 HA PRO 67 -7.755 -7.032 1.605 388 1HB PRO 67 2HB PRO 67 -9.886 -8.732 0.396 389 2HB PRO 67 1HB PRO 67 -9.583 -8.347 2.093 390 1HG PRO 67 2HG PRO 67 -11.573 -7.171 0.775 391 2HG PRO 67 1HG PRO 67 -10.591 -6.262 1.938 392 1HD PRO 67 2HD PRO 67 -10.542 -6.200 -1.042 393 2HD PRO 67 1HD PRO 67 -10.266 -4.889 0.121 394 H TYR 68 H TYR 68 -6.239 -8.579 1.569 395 HA TYR 68 HA TYR 68 -5.033 -10.415 0.899 396 1HB TYR 68 2HB TYR 68 -6.476 -10.431 -1.746 397 2HB TYR 68 1HB TYR 68 -5.621 -11.753 -0.961 398 HD1 TYR 68 1HD TYR 68 -8.746 -10.801 -1.853 399 HD2 TYR 68 2HD TYR 68 -6.637 -12.029 1.631 400 HE1 TYR 68 1HE TYR 68 -10.857 -11.566 -0.851 401 HE2 TYR 68 2HE TYR 68 -8.742 -12.798 2.642 402 HH TYR 68 HH TYR 68 -10.955 -13.475 2.001 403 H ASP 69 H ASP 69 -5.024 -7.401 -0.210 404 HA ASP 69 HA ASP 69 -3.500 -7.280 -2.504 405 1HB ASP 69 2HB ASP 69 -4.037 -5.511 -0.224 406 2HB ASP 69 1HB ASP 69 -2.500 -5.196 -1.023 407 H ARG 70 H ARG 70 -1.991 -8.939 -2.566 408 HA ARG 70 HA ARG 70 0.010 -9.226 -0.529 409 1HB ARG 70 2HB ARG 70 -0.699 -11.182 -1.717 410 2HB ARG 70 1HB ARG 70 -0.329 -10.442 -3.267 411 1HG ARG 70 2HG ARG 70 2.056 -10.457 -2.701 412 2HG ARG 70 1HG ARG 70 1.676 -11.221 -1.156 413 1HD ARG 70 2HD ARG 70 1.424 -13.244 -2.091 414 2HD ARG 70 1HD ARG 70 0.531 -12.599 -3.467 415 HE ARG 70 HE ARG 70 3.343 -12.026 -3.553 416 1HH1 ARG 70 1HH1 ARG 70 0.887 -14.383 -4.321 417 2HH1 ARG 70 2HH1 ARG 70 1.819 -15.132 -5.573 418 1HH2 ARG 70 1HH2 ARG 70 4.573 -13.011 -5.198 419 2HH2 ARG 70 2HH2 ARG 70 3.913 -14.354 -6.070 420 H LEU 71 H LEU 71 1.200 -7.360 -0.351 421 HA LEU 71 HA LEU 71 2.123 -5.737 -2.404 422 1HB LEU 71 2HB LEU 71 3.512 -6.322 0.212 423 2HB LEU 71 1HB LEU 71 3.810 -4.937 -0.820 424 HG LEU 71 HG LEU 71 1.032 -4.962 -0.221 425 1HD1 LEU 71 1HD1 LEU 71 0.796 -5.339 1.982 426 2HD1 LEU 71 2HD1 LEU 71 2.396 -4.708 2.371 427 3HD1 LEU 71 3HD1 LEU 71 2.222 -6.353 1.762 428 1HD2 LEU 71 1HD2 LEU 71 2.758 -3.078 1.224 429 2HD2 LEU 71 2HD2 LEU 71 1.415 -2.775 0.121 430 3HD2 LEU 71 3HD2 LEU 71 3.018 -3.137 -0.520 431 H LEU 72 H LEU 72 3.188 -6.471 -4.143 432 HA LEU 72 HA LEU 72 5.108 -8.617 -3.902 433 1HB LEU 72 2HB LEU 72 4.362 -6.979 -6.321 434 2HB LEU 72 1HB LEU 72 5.326 -8.440 -6.328 435 HG LEU 72 HG LEU 72 2.387 -8.109 -6.103 436 1HD1 LEU 72 1HD1 LEU 72 4.012 -9.037 -8.021 437 2HD1 LEU 72 2HD1 LEU 72 2.347 -9.581 -7.815 438 3HD1 LEU 72 3HD1 LEU 72 3.676 -10.541 -7.165 439 1HD2 LEU 72 1HD2 LEU 72 3.204 -9.245 -3.951 440 2HD2 LEU 72 2HD2 LEU 72 3.655 -10.594 -4.993 441 3HD2 LEU 72 3HD2 LEU 72 1.975 -10.072 -4.904 442 H GLN 73 H GLN 73 5.278 -5.352 -5.333 443 HA GLN 73 HA GLN 73 8.075 -5.214 -4.411 444 1HB GLN 73 2HB GLN 73 7.000 -3.785 -6.838 445 2HB GLN 73 1HB GLN 73 8.679 -4.016 -6.373 446 1HG GLN 73 2HG GLN 73 8.164 -6.531 -6.642 447 2HG GLN 73 1HG GLN 73 6.761 -5.978 -7.555 448 1HE2 GLN 73 1HE2 GLN 73 10.179 -5.037 -7.326 449 2HE2 GLN 73 2HE2 GLN 73 10.474 -5.056 -9.034 450 H VAL 74 H VAL 74 8.346 -3.755 -2.865 451 HA VAL 74 HA VAL 74 6.527 -1.444 -2.760 452 HB VAL 74 HB VAL 74 8.250 -2.513 -0.524 453 1HG1 VAL 74 1HG1 VAL 74 7.590 -0.118 -0.412 454 2HG1 VAL 74 2HG1 VAL 74 6.947 -1.094 0.908 455 3HG1 VAL 74 3HG1 VAL 74 5.901 -0.626 -0.432 456 1HG2 VAL 74 1HG2 VAL 74 6.347 -4.016 -1.450 457 2HG2 VAL 74 2HG2 VAL 74 5.281 -2.858 -0.653 458 3HG2 VAL 74 3HG2 VAL 74 6.472 -3.754 0.290 459 H ASN 75 H ASN 75 7.414 0.294 -3.687 460 HA ASN 75 HA ASN 75 8.866 1.982 -4.147 461 1HB ASN 75 2HB ASN 75 9.761 1.002 -1.505 462 2HB ASN 75 1HB ASN 75 10.949 1.937 -2.407 463 1HD2 ASN 75 1HD2 ASN 75 7.477 2.050 -1.667 464 2HD2 ASN 75 2HD2 ASN 75 7.439 3.745 -1.306 465 H HIS 76 H HIS 76 9.159 -0.581 -5.400 466 HA HIS 76 HA HIS 76 10.528 -1.263 -7.127 467 1HB HIS 76 2HB HIS 76 11.788 0.985 -6.709 468 2HB HIS 76 1HB HIS 76 12.957 -0.034 -5.875 469 HD1 HIS 76 1HD HIS 76 11.997 1.135 -9.187 470 HD2 HIS 76 2HD HIS 76 14.113 -2.077 -7.619 471 HE1 HIS 76 1HE HIS 76 13.303 0.187 -11.114 472 HE2 HIS 76 2HE HIS 76 14.646 -1.699 -10.120 473 H VAL 77 H VAL 77 11.102 -1.696 -3.769 474 HA VAL 77 HA VAL 77 12.999 -3.847 -4.152 475 HB VAL 77 HB VAL 77 12.993 -2.319 -2.128 476 1HG1 VAL 77 1HG1 VAL 77 11.234 -3.978 -0.566 477 2HG1 VAL 77 2HG1 VAL 77 10.357 -3.192 -1.877 478 3HG1 VAL 77 3HG1 VAL 77 11.274 -2.223 -0.728 479 1HG2 VAL 77 1HG2 VAL 77 12.862 -5.103 -1.127 480 2HG2 VAL 77 2HG2 VAL 77 14.125 -3.885 -0.938 481 3HG2 VAL 77 3HG2 VAL 77 13.972 -4.768 -2.456 482 H ARG 78 H ARG 78 12.566 -5.947 -4.350 483 HA ARG 78 HA ARG 78 9.886 -6.814 -4.745 484 1HB ARG 78 2HB ARG 78 12.580 -8.052 -4.874 485 2HB ARG 78 1HB ARG 78 11.216 -9.139 -4.645 486 1HG ARG 78 2HG ARG 78 10.462 -7.383 -6.693 487 2HG ARG 78 1HG ARG 78 12.131 -7.839 -7.031 488 1HD ARG 78 2HD ARG 78 10.514 -10.106 -6.204 489 2HD ARG 78 1HD ARG 78 9.861 -9.308 -7.633 490 HE ARG 78 HE ARG 78 11.698 -9.997 -8.838 491 1HH1 ARG 78 1HH1 ARG 78 12.223 -10.633 -5.445 492 2HH1 ARG 78 2HH1 ARG 78 13.627 -11.608 -5.718 493 1HH2 ARG 78 1HH2 ARG 78 13.543 -11.279 -9.196 494 2HH2 ARG 78 2HH2 ARG 78 14.377 -11.975 -7.847 495 H THR 79 H THR 79 8.767 -6.480 -2.812 496 HA THR 79 HA THR 79 9.644 -7.993 -0.465 497 HB THR 79 HB THR 79 8.093 -6.713 0.806 498 HG1 THR 79 1HG THR 79 6.395 -5.729 -0.026 499 1HG2 THR 79 1HG2 THR 79 9.182 -4.824 -1.265 500 2HG2 THR 79 2HG2 THR 79 10.073 -5.430 0.132 501 3HG2 THR 79 3HG2 THR 79 8.650 -4.415 0.366 502 H ARG 80 H ARG 80 8.522 -9.231 -2.927 503 HA ARG 80 HA ARG 80 5.873 -10.070 -2.496 504 1HB ARG 80 2HB ARG 80 8.159 -11.207 -4.087 505 2HB ARG 80 1HB ARG 80 6.607 -12.029 -4.003 506 1HG ARG 80 2HG ARG 80 5.493 -10.256 -5.084 507 2HG ARG 80 1HG ARG 80 6.860 -9.164 -4.867 508 1HD ARG 80 2HD ARG 80 7.058 -9.773 -7.089 509 2HD ARG 80 1HD ARG 80 8.156 -10.898 -6.291 510 HE ARG 80 HE ARG 80 5.627 -11.525 -7.571 511 1HH1 ARG 80 1HH1 ARG 80 8.225 -12.631 -5.513 512 2HH1 ARG 80 2HH1 ARG 80 7.874 -14.307 -5.767 513 1HH2 ARG 80 1HH2 ARG 80 5.168 -13.728 -7.900 514 2HH2 ARG 80 2HH2 ARG 80 6.142 -14.930 -7.118 515 H ASP 81 H ASP 81 8.948 -11.747 -1.821 516 HA ASP 81 HA ASP 81 7.516 -13.709 -0.203 517 1HB ASP 81 2HB ASP 81 9.583 -14.025 -1.916 518 2HB ASP 81 1HB ASP 81 10.468 -13.840 -0.405 519 H PHE 82 H PHE 82 7.950 -10.848 0.627 520 HA PHE 82 HA PHE 82 9.800 -11.001 2.832 521 1HB PHE 82 2HB PHE 82 8.101 -8.913 1.589 522 2HB PHE 82 1HB PHE 82 8.439 -8.720 3.304 523 HD1 PHE 82 1HD PHE 82 10.711 -10.193 0.782 524 HD2 PHE 82 2HD PHE 82 9.832 -6.837 3.246 525 HE1 PHE 82 1HE PHE 82 12.905 -9.223 0.236 526 HE2 PHE 82 2HE PHE 82 12.024 -5.860 2.705 527 HZ PHE 82 HZ PHE 82 13.564 -7.053 1.196 528 H ASP 83 H ASP 83 9.038 -10.347 5.049 529 HA ASP 83 HA ASP 83 6.584 -11.835 5.685 530 1HB ASP 83 2HB ASP 83 9.049 -11.231 7.323 531 2HB ASP 83 1HB ASP 83 7.575 -11.896 8.024 532 H CYS 84 H CYS 84 5.287 -11.018 7.507 533 HA CYS 84 HA CYS 84 4.386 -8.441 7.126 534 1HB CYS 84 2HB CYS 84 3.258 -10.339 8.402 535 2HB CYS 84 1HB CYS 84 4.234 -9.858 9.786 536 HG CYS 84 HG CYS 84 2.016 -8.073 8.532 537 H CYS 85 H CYS 85 6.776 -9.620 9.449 538 HA CYS 85 HA CYS 85 7.141 -7.216 10.829 539 1HB CYS 85 2HB CYS 85 8.777 -9.694 10.475 540 2HB CYS 85 1HB CYS 85 9.490 -8.295 11.269 541 HG CYS 85 HG CYS 85 8.481 -9.662 13.158 542 H LEU 86 H LEU 86 8.196 -8.247 7.720 543 HA LEU 86 HA LEU 86 10.257 -6.185 7.559 544 1HB LEU 86 2HB LEU 86 9.470 -8.531 5.891 545 2HB LEU 86 1HB LEU 86 10.321 -7.208 5.120 546 HG LEU 86 HG LEU 86 12.058 -7.506 7.018 547 1HD1 LEU 86 1HD1 LEU 86 12.196 -9.659 8.018 548 2HD1 LEU 86 2HD1 LEU 86 10.838 -10.257 7.064 549 3HD1 LEU 86 3HD1 LEU 86 10.570 -9.044 8.316 550 1HD2 LEU 86 1HD2 LEU 86 11.973 -8.311 4.456 551 2HD2 LEU 86 2HD2 LEU 86 12.144 -9.872 5.261 552 3HD2 LEU 86 3HD2 LEU 86 13.343 -8.607 5.525 553 H VAL 87 H VAL 87 7.059 -6.940 6.364 554 HA VAL 87 HA VAL 87 6.999 -4.812 4.442 555 HB VAL 87 HB VAL 87 4.703 -6.408 5.589 556 1HG1 VAL 87 1HG1 VAL 87 4.018 -5.670 3.044 557 2HG1 VAL 87 2HG1 VAL 87 4.880 -4.245 3.626 558 3HG1 VAL 87 3HG1 VAL 87 3.487 -4.859 4.517 559 1HG2 VAL 87 1HG2 VAL 87 6.742 -7.487 4.239 560 2HG2 VAL 87 2HG2 VAL 87 5.764 -6.940 2.878 561 3HG2 VAL 87 3HG2 VAL 87 5.078 -8.045 4.068 562 H VAL 88 H VAL 88 5.903 -5.272 7.767 563 HA VAL 88 HA VAL 88 4.285 -3.032 8.021 564 HB VAL 88 HB VAL 88 6.077 -4.292 10.104 565 1HG1 VAL 88 1HG1 VAL 88 5.521 -2.043 10.797 566 2HG1 VAL 88 2HG1 VAL 88 4.597 -3.202 11.754 567 3HG1 VAL 88 3HG1 VAL 88 3.816 -2.323 10.440 568 1HG2 VAL 88 1HG2 VAL 88 4.451 -5.798 10.498 569 2HG2 VAL 88 2HG2 VAL 88 3.966 -5.420 8.845 570 3HG2 VAL 88 3HG2 VAL 88 3.158 -4.635 10.203 571 HA PRO 89 HA PRO 89 8.221 -0.487 9.269 572 1HB PRO 89 2HB PRO 89 10.624 -1.493 8.495 573 2HB PRO 89 1HB PRO 89 9.906 -1.830 10.075 574 1HG PRO 89 2HG PRO 89 9.912 -3.513 7.598 575 2HG PRO 89 1HG PRO 89 10.192 -3.998 9.280 576 1HD PRO 89 2HD PRO 89 7.822 -4.380 8.054 577 2HD PRO 89 1HD PRO 89 7.941 -4.016 9.784 578 H LEU 90 H LEU 90 8.768 -2.458 6.334 579 HA LEU 90 HA LEU 90 9.881 -0.485 4.738 580 1HB LEU 90 2HB LEU 90 8.188 -2.878 4.078 581 2HB LEU 90 1HB LEU 90 8.820 -1.827 2.825 582 HG LEU 90 HG LEU 90 10.649 -3.098 4.837 583 1HD1 LEU 90 1HD1 LEU 90 9.035 -4.603 3.220 584 2HD1 LEU 90 2HD1 LEU 90 10.602 -5.103 3.856 585 3HD1 LEU 90 3HD1 LEU 90 10.487 -4.414 2.237 586 1HD2 LEU 90 1HD2 LEU 90 10.899 -1.603 2.302 587 2HD2 LEU 90 2HD2 LEU 90 12.016 -2.946 2.541 588 3HD2 LEU 90 3HD2 LEU 90 11.954 -1.632 3.715 589 H ILE 91 H ILE 91 6.566 -1.048 5.632 590 HA ILE 91 HA ILE 91 5.427 0.711 3.674 591 HB ILE 91 HB ILE 91 4.309 -0.571 6.170 592 1HG1 ILE 91 2HG1 ILE 91 3.481 -1.041 3.316 593 2HG1 ILE 91 1HG1 ILE 91 4.864 -1.881 4.017 594 1HG2 ILE 91 1HG2 ILE 91 3.290 1.745 5.302 595 2HG2 ILE 91 2HG2 ILE 91 2.295 0.446 5.955 596 3HG2 ILE 91 3HG2 ILE 91 2.453 0.643 4.211 597 1HD1 ILE 91 1HD1 ILE 91 3.511 -2.997 5.585 598 2HD1 ILE 91 2HD1 ILE 91 2.659 -3.103 4.043 599 3HD1 ILE 91 3HD1 ILE 91 2.135 -1.942 5.263 600 H ALA 92 H ALA 92 6.082 0.932 7.165 601 HA ALA 92 HA ALA 92 5.268 3.660 7.311 602 1HB ALA 92 1HB ALA 92 6.774 2.002 9.321 603 2HB ALA 92 2HB ALA 92 5.020 2.147 9.215 604 3HB ALA 92 3HB ALA 92 5.998 3.555 9.626 605 H GLU 93 H GLU 93 7.976 2.277 6.012 606 HA GLU 93 HA GLU 93 9.839 4.308 6.951 607 1HB GLU 93 2HB GLU 93 10.065 1.704 5.573 608 2HB GLU 93 1HB GLU 93 11.263 2.913 5.126 609 1HG GLU 93 2HG GLU 93 11.782 3.185 7.547 610 2HG GLU 93 1HG GLU 93 10.708 1.827 7.875 611 H SER 94 H SER 94 7.552 4.126 4.552 612 HA SER 94 HA SER 94 8.907 5.184 2.329 613 1HB SER 94 2HB SER 94 6.117 4.800 3.139 614 2HB SER 94 1HB SER 94 6.365 6.182 2.072 615 HG SER 94 HG SER 94 7.152 4.857 0.519 616 H GLY 95 H GLY 95 7.645 6.620 5.197 617 1HA GLY 95 2HA GLY 95 8.348 8.690 6.078 618 2HA GLY 95 1HA GLY 95 8.917 9.146 4.479 619 H ASN 96 H ASN 96 6.575 8.651 3.003 620 HA ASN 96 HA ASN 96 4.328 9.949 4.181 621 1HB ASN 96 2HB ASN 96 6.353 11.598 2.896 622 2HB ASN 96 1HB ASN 96 4.776 11.779 2.133 623 1HD2 ASN 96 1HD2 ASN 96 6.739 12.911 4.509 624 2HD2 ASN 96 2HD2 ASN 96 5.553 13.650 5.535 625 H LYS 97 H LYS 97 6.019 9.111 1.185 626 HA LYS 97 HA LYS 97 3.416 8.410 -0.004 627 1HB LYS 97 2HB LYS 97 5.763 9.774 -1.065 628 2HB LYS 97 1HB LYS 97 5.267 8.423 -2.074 629 1HG LYS 97 2HG LYS 97 2.901 9.750 -1.458 630 2HG LYS 97 1HG LYS 97 4.075 11.030 -1.767 631 1HD LYS 97 2HD LYS 97 3.735 8.687 -3.620 632 2HD LYS 97 1HD LYS 97 2.757 10.148 -3.766 633 1HE LYS 97 2HE LYS 97 5.232 11.221 -3.607 634 2HE LYS 97 1HE LYS 97 5.596 9.691 -4.406 635 1HZ LYS 97 1HZ LYS 97 3.324 11.177 -5.448 636 2HZ LYS 97 2HZ LYS 97 4.520 10.309 -6.271 637 3HZ LYS 97 3HZ LYS 97 4.846 11.871 -5.712 638 H LEU 98 H LEU 98 3.015 6.322 -0.377 639 HA LEU 98 HA LEU 98 5.290 4.453 -0.299 640 1HB LEU 98 2HB LEU 98 2.973 4.532 1.289 641 2HB LEU 98 1HB LEU 98 2.754 3.179 0.199 642 HG LEU 98 HG LEU 98 4.990 3.588 2.180 643 1HD1 LEU 98 1HD1 LEU 98 3.436 1.100 2.081 644 2HD1 LEU 98 2HD1 LEU 98 2.534 2.536 2.568 645 3HD1 LEU 98 3HD1 LEU 98 3.977 2.057 3.458 646 1HD2 LEU 98 1HD2 LEU 98 6.317 2.213 1.046 647 2HD2 LEU 98 2HD2 LEU 98 5.204 2.339 -0.317 648 3HD2 LEU 98 3HD2 LEU 98 5.021 1.033 0.853 649 H ASP 99 H ASP 99 5.720 4.193 -2.446 650 HA ASP 99 HA ASP 99 3.520 3.518 -4.254 651 1HB ASP 99 2HB ASP 99 6.464 3.923 -4.849 652 2HB ASP 99 1HB ASP 99 5.188 3.705 -6.043 653 H LEU 100 H LEU 100 2.981 1.441 -4.484 654 HA LEU 100 HA LEU 100 5.088 -0.577 -4.567 655 1HB LEU 100 2HB LEU 100 3.719 -2.014 -2.981 656 2HB LEU 100 1HB LEU 100 4.640 -0.698 -2.278 657 HG LEU 100 HG LEU 100 2.104 0.376 -2.840 658 1HD1 LEU 100 1HD1 LEU 100 1.981 -2.470 -2.072 659 2HD1 LEU 100 2HD1 LEU 100 0.817 -1.474 -2.945 660 3HD1 LEU 100 3HD1 LEU 100 0.925 -1.370 -1.189 661 1HD2 LEU 100 1HD2 LEU 100 1.938 0.478 -0.373 662 2HD2 LEU 100 2HD2 LEU 100 3.490 1.044 -0.989 663 3HD2 LEU 100 3HD2 LEU 100 3.361 -0.558 -0.263 664 H VAL 101 H VAL 101 4.413 -2.618 -5.385 665 HA VAL 101 HA VAL 101 1.943 -2.489 -6.990 666 HB VAL 101 HB VAL 101 4.377 -4.159 -7.618 667 1HG1 VAL 101 1HG1 VAL 101 2.582 -3.339 -9.773 668 2HG1 VAL 101 2HG1 VAL 101 1.812 -4.352 -8.551 669 3HG1 VAL 101 3HG1 VAL 101 3.251 -4.926 -9.395 670 1HG2 VAL 101 1HG2 VAL 101 3.652 -1.567 -8.959 671 2HG2 VAL 101 2HG2 VAL 101 5.126 -2.518 -9.146 672 3HG2 VAL 101 3HG2 VAL 101 4.811 -1.667 -7.635 673 H ILE 102 H ILE 102 0.439 -3.673 -5.985 674 HA ILE 102 HA ILE 102 1.256 -6.153 -4.632 675 HB ILE 102 HB ILE 102 -0.841 -6.039 -3.422 676 1HG1 ILE 102 2HG1 ILE 102 -2.088 -3.708 -3.817 677 2HG1 ILE 102 1HG1 ILE 102 -1.432 -3.929 -5.437 678 1HG2 ILE 102 1HG2 ILE 102 0.406 -4.814 -2.034 679 2HG2 ILE 102 2HG2 ILE 102 -0.422 -3.406 -2.699 680 3HG2 ILE 102 3HG2 ILE 102 1.135 -3.908 -3.358 681 1HD1 ILE 102 1HD1 ILE 102 -2.779 -5.687 -5.892 682 2HD1 ILE 102 2HD1 ILE 102 -3.806 -4.853 -4.724 683 3HD1 ILE 102 3HD1 ILE 102 -2.829 -6.229 -4.213 684 H SER 103 H SER 103 -0.348 -7.955 -4.718 685 HA SER 103 HA SER 103 -1.667 -8.110 -7.345 686 1HB SER 103 2HB SER 103 -0.942 -10.409 -7.590 687 2HB SER 103 1HB SER 103 0.472 -9.396 -7.304 688 HG SER 103 HG SER 103 -0.883 -10.969 -5.368 689 H ARG 104 H ARG 104 -3.748 -8.644 -7.256 690 HA ARG 104 HA ARG 104 -4.746 -10.399 -5.174 691 1HB ARG 104 2HB ARG 104 -6.542 -8.786 -4.525 692 2HB ARG 104 1HB ARG 104 -4.928 -8.304 -4.021 693 1HG ARG 104 2HG ARG 104 -5.584 -6.320 -4.857 694 2HG ARG 104 1HG ARG 104 -5.047 -7.039 -6.377 695 1HD ARG 104 2HD ARG 104 -7.197 -7.428 -7.106 696 2HD ARG 104 1HD ARG 104 -7.858 -7.461 -5.471 697 HE ARG 104 HE ARG 104 -7.055 -4.902 -5.740 698 1HH1 ARG 104 1HH1 ARG 104 -9.034 -6.980 -7.726 699 2HH1 ARG 104 2HH1 ARG 104 -9.990 -5.679 -8.353 700 1HH2 ARG 104 1HH2 ARG 104 -8.311 -3.189 -6.564 701 2HH2 ARG 104 2HH2 ARG 104 -9.580 -3.528 -7.695 702 H ASN 105 H ASN 105 -6.520 -11.539 -5.798 703 HA ASN 105 HA ASN 105 -7.185 -11.646 -8.530 704 1HB ASN 105 2HB ASN 105 -8.751 -12.734 -6.177 705 2HB ASN 105 1HB ASN 105 -8.922 -13.235 -7.857 706 1HD2 ASN 105 1HD2 ASN 105 -7.517 -14.677 -8.709 707 2HD2 ASN 105 2HD2 ASN 105 -6.255 -15.447 -7.804 708 HA PRO 106 HA PRO 106 -10.361 -8.590 -8.840 709 1HB PRO 106 2HB PRO 106 -11.767 -9.482 -10.943 710 2HB PRO 106 1HB PRO 106 -10.104 -8.908 -11.117 711 1HG PRO 106 2HG PRO 106 -11.134 -11.711 -10.967 712 2HG PRO 106 1HG PRO 106 -9.884 -11.035 -12.025 713 1HD PRO 106 2HD PRO 106 -9.361 -12.451 -9.731 714 2HD PRO 106 1HD PRO 106 -8.255 -11.254 -10.433 Start of MODEL 16 1 1H SER 16 1HT SER 16 -11.172 -11.585 -15.674 2 2H SER 16 2HT SER 16 -12.006 -10.374 -14.791 3 3H SER 16 3HT SER 16 -12.668 -11.951 -14.922 4 HA SER 16 HA SER 16 -10.270 -11.097 -13.457 5 1HB SER 16 2HB SER 16 -12.454 -10.737 -12.372 6 2HB SER 16 1HB SER 16 -12.862 -12.432 -12.628 7 HG SER 16 HG SER 16 -11.825 -11.598 -10.515 8 HA PRO 17 HA PRO 17 -9.160 -15.278 -15.002 9 1HB PRO 17 2HB PRO 17 -6.478 -14.904 -14.766 10 2HB PRO 17 1HB PRO 17 -7.404 -14.374 -16.174 11 1HG PRO 17 2HG PRO 17 -6.472 -12.786 -13.814 12 2HG PRO 17 1HG PRO 17 -6.449 -12.353 -15.533 13 1HD PRO 17 2HD PRO 17 -8.341 -11.437 -13.831 14 2HD PRO 17 1HD PRO 17 -8.679 -11.763 -15.543 15 H THR 18 H THR 18 -7.979 -17.039 -13.962 16 HA THR 18 HA THR 18 -8.597 -17.393 -11.308 17 HB THR 18 HB THR 18 -6.558 -18.730 -13.071 18 HG1 THR 18 1HG THR 18 -8.563 -19.340 -13.611 19 1HG2 THR 18 1HG2 THR 18 -6.872 -20.578 -11.189 20 2HG2 THR 18 2HG2 THR 18 -6.972 -19.138 -10.175 21 3HG2 THR 18 3HG2 THR 18 -5.545 -19.416 -11.171 22 HA PRO 19 HA PRO 19 -4.109 -16.256 -9.969 23 1HB PRO 19 2HB PRO 19 -2.465 -15.106 -11.787 24 2HB PRO 19 1HB PRO 19 -2.578 -16.858 -11.579 25 1HG PRO 19 2HG PRO 19 -3.885 -15.108 -13.629 26 2HG PRO 19 1HG PRO 19 -3.077 -16.672 -13.846 27 1HD PRO 19 2HD PRO 19 -5.768 -16.436 -13.715 28 2HD PRO 19 1HD PRO 19 -4.905 -17.861 -13.103 29 H VAL 20 H VAL 20 -3.810 -14.409 -8.838 30 HA VAL 20 HA VAL 20 -5.460 -12.247 -8.963 31 HB VAL 20 HB VAL 20 -3.700 -10.972 -7.719 32 1HG1 VAL 20 1HG1 VAL 20 -4.123 -12.092 -5.781 33 2HG1 VAL 20 2HG1 VAL 20 -3.777 -13.671 -6.486 34 3HG1 VAL 20 3HG1 VAL 20 -5.312 -12.870 -6.826 35 1HG2 VAL 20 1HG2 VAL 20 -1.647 -11.635 -8.537 36 2HG2 VAL 20 2HG2 VAL 20 -2.085 -13.344 -8.548 37 3HG2 VAL 20 3HG2 VAL 20 -1.733 -12.536 -7.022 38 H GLU 21 H GLU 21 -4.777 -9.911 -9.334 39 HA GLU 21 HA GLU 21 -3.290 -9.693 -11.867 40 1HB GLU 21 2HB GLU 21 -5.891 -8.456 -11.030 41 2HB GLU 21 1HB GLU 21 -4.870 -7.648 -12.210 42 1HG GLU 21 2HG GLU 21 -5.016 -10.274 -13.098 43 2HG GLU 21 1HG GLU 21 -6.644 -9.899 -12.535 44 H LEU 22 H LEU 22 -1.555 -8.438 -11.745 45 HA LEU 22 HA LEU 22 -0.789 -7.078 -9.428 46 1HB LEU 22 2HB LEU 22 0.160 -7.155 -12.248 47 2HB LEU 22 1HB LEU 22 0.778 -5.892 -11.199 48 HG LEU 22 HG LEU 22 0.971 -8.850 -10.664 49 1HD1 LEU 22 1HD1 LEU 22 3.053 -6.860 -11.565 50 2HD1 LEU 22 2HD1 LEU 22 2.393 -8.188 -12.517 51 3HD1 LEU 22 3HD1 LEU 22 3.372 -8.527 -11.091 52 1HD2 LEU 22 1HD2 LEU 22 2.671 -7.938 -8.949 53 2HD2 LEU 22 2HD2 LEU 22 0.953 -7.849 -8.565 54 3HD2 LEU 22 3HD2 LEU 22 1.804 -6.413 -9.133 55 H HIS 23 H HIS 23 -0.678 -4.894 -8.911 56 HA HIS 23 HA HIS 23 -1.836 -2.909 -10.635 57 1HB HIS 23 2HB HIS 23 -3.941 -3.094 -9.888 58 2HB HIS 23 1HB HIS 23 -3.464 -4.255 -8.658 59 HD1 HIS 23 1HD HIS 23 -2.973 -0.483 -8.983 60 HD2 HIS 23 2HD HIS 23 -4.333 -3.338 -6.288 61 HE1 HIS 23 1HE HIS 23 -3.627 0.798 -6.920 62 HE2 HIS 23 2HE HIS 23 -4.580 -0.937 -5.361 63 H LYS 24 H LYS 24 -0.509 -1.257 -10.424 64 HA LYS 24 HA LYS 24 1.220 -0.960 -8.169 65 1HB LYS 24 2HB LYS 24 1.933 1.142 -9.351 66 2HB LYS 24 1HB LYS 24 2.078 -0.327 -10.306 67 1HG LYS 24 2HG LYS 24 -0.489 0.707 -10.809 68 2HG LYS 24 1HG LYS 24 0.632 2.066 -10.881 69 1HD LYS 24 2HD LYS 24 0.715 1.294 -13.052 70 2HD LYS 24 1HD LYS 24 2.071 0.428 -12.325 71 1HE LYS 24 2HE LYS 24 0.822 -1.572 -12.150 72 2HE LYS 24 1HE LYS 24 -0.696 -0.741 -12.492 73 1HZ LYS 24 1HZ LYS 24 1.533 -1.016 -14.435 74 2HZ LYS 24 2HZ LYS 24 -0.003 -0.381 -14.741 75 3HZ LYS 24 3HZ LYS 24 0.176 -2.025 -14.391 76 H VAL 25 H VAL 25 0.759 0.011 -6.320 77 HA VAL 25 HA VAL 25 -1.366 2.051 -6.294 78 HB VAL 25 HB VAL 25 -0.794 0.865 -3.692 79 1HG1 VAL 25 1HG1 VAL 25 -3.478 0.549 -4.725 80 2HG1 VAL 25 2HG1 VAL 25 -2.870 2.185 -4.965 81 3HG1 VAL 25 3HG1 VAL 25 -2.899 1.483 -3.347 82 1HG2 VAL 25 1HG2 VAL 25 -2.197 -1.226 -4.346 83 2HG2 VAL 25 2HG2 VAL 25 -0.455 -1.224 -4.625 84 3HG2 VAL 25 3HG2 VAL 25 -1.562 -0.923 -5.963 85 H THR 26 H THR 26 -1.076 3.887 -5.077 86 HA THR 26 HA THR 26 1.532 4.262 -3.786 87 HB THR 26 HB THR 26 0.232 6.182 -5.735 88 HG1 THR 26 1HG THR 26 2.672 4.743 -5.867 89 1HG2 THR 26 1HG2 THR 26 2.935 6.840 -5.046 90 2HG2 THR 26 2HG2 THR 26 1.920 6.823 -3.604 91 3HG2 THR 26 3HG2 THR 26 1.483 7.839 -4.978 92 H LEU 27 H LEU 27 0.941 4.522 -1.701 93 HA LEU 27 HA LEU 27 -1.438 6.133 -1.104 94 1HB LEU 27 2HB LEU 27 0.126 4.374 0.779 95 2HB LEU 27 1HB LEU 27 -1.446 5.095 1.065 96 HG LEU 27 HG LEU 27 -2.080 3.665 -1.090 97 1HD1 LEU 27 1HD1 LEU 27 -0.246 2.506 -1.724 98 2HD1 LEU 27 2HD1 LEU 27 -0.813 1.388 -0.484 99 3HD1 LEU 27 3HD1 LEU 27 0.471 2.541 -0.113 100 1HD2 LEU 27 1HD2 LEU 27 -1.890 2.752 1.768 101 2HD2 LEU 27 2HD2 LEU 27 -2.704 1.813 0.517 102 3HD2 LEU 27 3HD2 LEU 27 -3.283 3.428 0.925 103 H TYR 28 H TYR 28 -1.248 7.309 1.089 104 HA TYR 28 HA TYR 28 1.332 8.726 1.201 105 1HB TYR 28 2HB TYR 28 -1.399 9.947 1.660 106 2HB TYR 28 1HB TYR 28 0.145 10.793 1.677 107 HD1 TYR 28 1HD TYR 28 -1.840 8.601 -0.615 108 HD2 TYR 28 2HD TYR 28 0.721 11.973 -0.217 109 HE1 TYR 28 1HE TYR 28 -2.066 9.049 -3.022 110 HE2 TYR 28 2HE TYR 28 0.501 12.431 -2.623 111 HH TYR 28 HH TYR 28 -0.074 11.309 -4.666 112 H LYS 29 H LYS 29 1.891 9.625 3.288 113 HA LYS 29 HA LYS 29 0.678 8.097 5.495 114 1HB LYS 29 2HB LYS 29 3.243 7.975 4.733 115 2HB LYS 29 1HB LYS 29 3.351 9.343 5.830 116 1HG LYS 29 2HG LYS 29 1.942 7.623 7.349 117 2HG LYS 29 1HG LYS 29 2.902 6.494 6.393 118 1HD LYS 29 2HD LYS 29 4.812 7.056 7.435 119 2HD LYS 29 1HD LYS 29 4.419 8.775 7.430 120 1HE LYS 29 2HE LYS 29 2.825 8.331 9.303 121 2HE LYS 29 1HE LYS 29 3.442 6.682 9.365 122 1HZ LYS 29 1HZ LYS 29 5.667 7.616 9.776 123 2HZ LYS 29 2HZ LYS 29 4.560 8.013 10.994 124 3HZ LYS 29 3HZ LYS 29 4.993 9.168 9.836 125 H ASP 30 H ASP 30 0.672 9.138 7.619 126 HA ASP 30 HA ASP 30 0.509 12.071 7.469 127 1HB ASP 30 2HB ASP 30 -1.705 10.467 7.631 128 2HB ASP 30 1HB ASP 30 -1.382 10.796 9.331 129 H SER 31 H SER 31 1.204 13.189 9.257 130 HA SER 31 HA SER 31 3.147 12.051 10.886 131 1HB SER 31 2HB SER 31 2.966 14.474 10.452 132 2HB SER 31 1HB SER 31 1.506 14.536 11.440 133 HG SER 31 HG SER 31 4.104 14.554 12.205 134 H GLY 32 H GLY 32 -0.306 12.308 11.338 135 1HA GLY 32 2HA GLY 32 -0.044 11.224 14.063 136 2HA GLY 32 1HA GLY 32 -1.477 12.006 13.414 137 H MET 33 H MET 33 0.453 9.498 11.849 138 HA MET 33 HA MET 33 -1.450 7.423 12.475 139 1HB MET 33 2HB MET 33 -1.248 8.586 9.699 140 2HB MET 33 1HB MET 33 -1.879 6.975 10.007 141 1HG MET 33 2HG MET 33 -3.006 9.567 11.041 142 2HG MET 33 1HG MET 33 -3.683 8.559 9.764 143 1HE MET 33 1HE MET 33 -5.323 6.257 10.438 144 2HE MET 33 2HE MET 33 -5.740 7.963 10.273 145 3HE MET 33 3HE MET 33 -6.346 7.035 11.645 146 H GLU 34 H GLU 34 -0.082 5.842 12.990 147 HA GLU 34 HA GLU 34 2.518 5.613 11.837 148 1HB GLU 34 2HB GLU 34 1.050 3.594 13.532 149 2HB GLU 34 1HB GLU 34 2.784 3.659 13.244 150 1HG GLU 34 2HG GLU 34 3.096 5.414 14.672 151 2HG GLU 34 1HG GLU 34 1.457 6.026 14.454 152 H ASP 35 H ASP 35 -0.573 4.222 11.230 153 HA ASP 35 HA ASP 35 0.458 2.133 9.512 154 1HB ASP 35 2HB ASP 35 -1.806 2.305 10.994 155 2HB ASP 35 1HB ASP 35 -2.425 2.786 9.417 156 H PHE 36 H PHE 36 -0.868 1.969 7.309 157 HA PHE 36 HA PHE 36 -0.628 4.592 5.994 158 1HB PHE 36 2HB PHE 36 0.727 2.141 5.423 159 2HB PHE 36 1HB PHE 36 -0.323 2.533 4.063 160 HD1 PHE 36 1HD PHE 36 -0.113 4.805 2.994 161 HD2 PHE 36 2HD PHE 36 2.738 3.287 5.766 162 HE1 PHE 36 1HE PHE 36 1.533 6.450 2.197 163 HE2 PHE 36 2HE PHE 36 4.388 4.930 4.972 164 HZ PHE 36 HZ PHE 36 3.787 6.516 3.187 165 H GLY 37 H GLY 37 -3.001 3.368 7.186 166 1HA GLY 37 2HA GLY 37 -5.241 3.538 6.602 167 2HA GLY 37 1HA GLY 37 -4.760 3.758 4.929 168 H PHE 38 H PHE 38 -3.256 1.033 6.237 169 HA PHE 38 HA PHE 38 -5.336 -0.854 6.067 170 1HB PHE 38 2HB PHE 38 -5.077 -1.814 3.936 171 2HB PHE 38 1HB PHE 38 -5.132 -0.082 3.649 172 HD1 PHE 38 1HD PHE 38 -3.114 -3.094 3.491 173 HD2 PHE 38 2HD PHE 38 -3.108 1.130 2.965 174 HE1 PHE 38 1HE PHE 38 -1.019 -3.259 2.216 175 HE2 PHE 38 2HE PHE 38 -1.008 0.968 1.693 176 HZ PHE 38 HZ PHE 38 0.030 -1.233 1.308 177 H SER 39 H SER 39 -4.720 -2.597 7.143 178 HA SER 39 HA SER 39 -1.879 -2.944 7.713 179 1HB SER 39 2HB SER 39 -4.018 -3.025 9.370 180 2HB SER 39 1HB SER 39 -3.854 -4.739 8.991 181 HG SER 39 HG SER 39 -1.655 -3.161 9.804 182 H VAL 40 H VAL 40 -0.806 -4.919 7.480 183 HA VAL 40 HA VAL 40 -2.069 -6.814 5.608 184 HB VAL 40 HB VAL 40 0.187 -7.234 4.679 185 1HG1 VAL 40 1HG1 VAL 40 0.354 -4.703 3.773 186 2HG1 VAL 40 2HG1 VAL 40 -1.277 -4.689 4.444 187 3HG1 VAL 40 3HG1 VAL 40 -0.843 -5.868 3.208 188 1HG2 VAL 40 1HG2 VAL 40 2.075 -6.226 5.408 189 2HG2 VAL 40 2HG2 VAL 40 1.155 -6.059 6.903 190 3HG2 VAL 40 3HG2 VAL 40 1.251 -4.709 5.771 191 H ALA 41 H ALA 41 -1.506 -9.011 5.813 192 HA ALA 41 HA ALA 41 -0.480 -9.721 8.477 193 1HB ALA 41 1HB ALA 41 -2.195 -11.399 6.651 194 2HB ALA 41 2HB ALA 41 -2.814 -10.383 7.953 195 3HB ALA 41 3HB ALA 41 -1.763 -11.750 8.325 196 H ASP 42 H ASP 42 0.370 -12.142 8.400 197 HA ASP 42 HA ASP 42 2.562 -12.107 6.471 198 1HB ASP 42 2HB ASP 42 2.749 -12.469 9.070 199 2HB ASP 42 1HB ASP 42 2.337 -14.133 8.665 200 H GLY 43 H GLY 43 3.295 -14.310 5.661 201 1HA GLY 43 2HA GLY 43 0.951 -15.660 4.534 202 2HA GLY 43 1HA GLY 43 2.591 -15.745 3.907 203 H LEU 44 H LEU 44 0.239 -17.326 5.691 204 HA LEU 44 HA LEU 44 2.137 -18.977 7.158 205 1HB LEU 44 2HB LEU 44 -0.750 -18.409 7.331 206 2HB LEU 44 1HB LEU 44 -0.289 -20.058 7.710 207 HG LEU 44 HG LEU 44 1.425 -18.147 9.063 208 1HD1 LEU 44 1HD1 LEU 44 -0.166 -16.586 9.431 209 2HD1 LEU 44 2HD1 LEU 44 -0.656 -17.719 10.692 210 3HD1 LEU 44 3HD1 LEU 44 -1.494 -17.711 9.140 211 1HD2 LEU 44 1HD2 LEU 44 -0.178 -20.567 9.678 212 2HD2 LEU 44 2HD2 LEU 44 0.272 -19.514 11.019 213 3HD2 LEU 44 3HD2 LEU 44 1.522 -20.219 9.996 214 H LEU 45 H LEU 45 1.220 -18.968 4.080 215 HA LEU 45 HA LEU 45 1.532 -21.847 3.857 216 1HB LEU 45 2HB LEU 45 -0.998 -20.654 3.709 217 2HB LEU 45 1HB LEU 45 -0.564 -21.072 2.062 218 HG LEU 45 HG LEU 45 -1.808 -22.878 3.085 219 1HD1 LEU 45 1HD1 LEU 45 1.112 -23.504 2.708 220 2HD1 LEU 45 2HD1 LEU 45 -0.144 -23.514 1.469 221 3HD1 LEU 45 3HD1 LEU 45 -0.176 -24.708 2.768 222 1HD2 LEU 45 1HD2 LEU 45 -0.893 -22.209 5.428 223 2HD2 LEU 45 2HD2 LEU 45 0.386 -23.361 5.046 224 3HD2 LEU 45 3HD2 LEU 45 -1.296 -23.891 5.088 225 H GLU 46 H GLU 46 2.410 -18.858 2.778 226 HA GLU 46 HA GLU 46 3.699 -19.977 0.467 227 1HB GLU 46 2HB GLU 46 2.762 -17.960 -0.932 228 2HB GLU 46 1HB GLU 46 1.878 -19.475 -0.826 229 1HG GLU 46 2HG GLU 46 1.131 -17.715 1.321 230 2HG GLU 46 1HG GLU 46 0.946 -16.915 -0.238 231 H LYS 47 H LYS 47 4.451 -18.743 2.962 232 HA LYS 47 HA LYS 47 5.605 -16.923 3.849 233 1HB LYS 47 2HB LYS 47 7.086 -18.490 1.906 234 2HB LYS 47 1HB LYS 47 7.756 -16.874 2.078 235 1HG LYS 47 2HG LYS 47 7.162 -18.610 4.451 236 2HG LYS 47 1HG LYS 47 8.695 -18.690 3.580 237 1HD LYS 47 2HD LYS 47 9.388 -16.664 4.338 238 2HD LYS 47 1HD LYS 47 7.753 -16.001 4.382 239 1HE LYS 47 2HE LYS 47 8.878 -17.996 6.346 240 2HE LYS 47 1HE LYS 47 8.741 -16.262 6.629 241 1HZ LYS 47 1HZ LYS 47 6.791 -16.876 7.538 242 2HZ LYS 47 2HZ LYS 47 6.686 -18.313 6.653 243 3HZ LYS 47 3HZ LYS 47 6.242 -16.847 5.938 244 H GLY 48 H GLY 48 4.375 -15.072 3.519 245 1HA GLY 48 2HA GLY 48 5.557 -13.059 1.919 246 2HA GLY 48 1HA GLY 48 4.095 -13.646 1.143 247 H VAL 49 H VAL 49 3.283 -11.469 1.424 248 HA VAL 49 HA VAL 49 1.879 -11.207 3.953 249 HB VAL 49 HB VAL 49 3.690 -9.019 2.923 250 1HG1 VAL 49 1HG1 VAL 49 1.275 -8.827 4.415 251 2HG1 VAL 49 2HG1 VAL 49 2.386 -7.543 3.947 252 3HG1 VAL 49 3HG1 VAL 49 2.620 -8.398 5.471 253 1HG2 VAL 49 1HG2 VAL 49 4.538 -9.296 5.369 254 2HG2 VAL 49 2HG2 VAL 49 5.090 -10.407 4.118 255 3HG2 VAL 49 3HG2 VAL 49 3.819 -10.900 5.236 256 H TYR 50 H TYR 50 -0.088 -10.282 3.740 257 HA TYR 50 HA TYR 50 -0.724 -8.846 1.265 258 1HB TYR 50 2HB TYR 50 -2.919 -10.575 2.128 259 2HB TYR 50 1HB TYR 50 -2.250 -10.327 0.520 260 HD1 TYR 50 1HD TYR 50 -2.766 -12.682 3.035 261 HD2 TYR 50 2HD TYR 50 0.143 -11.471 0.178 262 HE1 TYR 50 1HE TYR 50 -1.756 -14.921 3.126 263 HE2 TYR 50 2HE TYR 50 1.161 -13.708 0.258 264 HH TYR 50 HH TYR 50 1.243 -15.626 2.042 265 H VAL 51 H VAL 51 -2.846 -7.700 1.427 266 HA VAL 51 HA VAL 51 -2.950 -6.238 3.865 267 HB VAL 51 HB VAL 51 -4.901 -6.221 1.557 268 1HG1 VAL 51 1HG1 VAL 51 -4.550 -4.412 3.932 269 2HG1 VAL 51 2HG1 VAL 51 -6.011 -5.236 3.384 270 3HG1 VAL 51 3HG1 VAL 51 -5.361 -3.885 2.456 271 1HG2 VAL 51 1HG2 VAL 51 -3.658 -4.129 0.939 272 2HG2 VAL 51 2HG2 VAL 51 -2.741 -5.624 0.747 273 3HG2 VAL 51 3HG2 VAL 51 -2.444 -4.580 2.136 274 H LYS 52 H LYS 52 -4.024 -6.676 5.651 275 HA LYS 52 HA LYS 52 -5.941 -8.853 5.691 276 1HB LYS 52 2HB LYS 52 -4.355 -8.978 7.441 277 2HB LYS 52 1HB LYS 52 -4.520 -7.271 7.818 278 1HG LYS 52 2HG LYS 52 -6.049 -7.718 9.348 279 2HG LYS 52 1HG LYS 52 -7.052 -8.547 8.159 280 1HD LYS 52 2HD LYS 52 -4.736 -9.811 9.621 281 2HD LYS 52 1HD LYS 52 -6.427 -9.967 10.101 282 1HE LYS 52 2HE LYS 52 -6.716 -10.749 7.604 283 2HE LYS 52 1HE LYS 52 -4.997 -11.120 7.754 284 1HZ LYS 52 1HZ LYS 52 -5.451 -12.566 9.580 285 2HZ LYS 52 2HZ LYS 52 -6.481 -12.999 8.311 286 3HZ LYS 52 3HZ LYS 52 -7.080 -12.113 9.621 287 H ASN 53 H ASN 53 -5.827 -5.412 5.965 288 HA ASN 53 HA ASN 53 -8.602 -5.126 5.501 289 1HB ASN 53 2HB ASN 53 -9.284 -4.139 7.645 290 2HB ASN 53 1HB ASN 53 -8.782 -5.815 7.847 291 1HD2 ASN 53 1HD2 ASN 53 -7.357 -6.249 9.370 292 2HD2 ASN 53 2HD2 ASN 53 -6.360 -5.087 10.185 293 H ILE 54 H ILE 54 -9.299 -2.871 5.472 294 HA ILE 54 HA ILE 54 -7.049 -0.979 5.316 295 HB ILE 54 HB ILE 54 -9.393 -1.095 3.418 296 1HG1 ILE 54 2HG1 ILE 54 -6.843 -2.471 3.438 297 2HG1 ILE 54 1HG1 ILE 54 -8.209 -2.674 2.350 298 1HG2 ILE 54 1HG2 ILE 54 -8.441 0.726 2.265 299 2HG2 ILE 54 2HG2 ILE 54 -6.932 0.611 3.170 300 3HG2 ILE 54 3HG2 ILE 54 -8.399 1.173 3.970 301 1HD1 ILE 54 1HD1 ILE 54 -6.086 -2.112 1.215 302 2HD1 ILE 54 2HD1 ILE 54 -6.093 -0.555 2.041 303 3HD1 ILE 54 3HD1 ILE 54 -7.378 -0.953 0.901 304 H ARG 55 H ARG 55 -7.380 1.020 6.156 305 HA ARG 55 HA ARG 55 -9.447 1.385 8.031 306 1HB ARG 55 2HB ARG 55 -7.546 3.392 6.815 307 2HB ARG 55 1HB ARG 55 -8.579 3.712 8.199 308 1HG ARG 55 2HG ARG 55 -7.351 1.529 9.106 309 2HG ARG 55 1HG ARG 55 -6.101 2.113 8.007 310 1HD ARG 55 2HD ARG 55 -6.034 4.237 9.125 311 2HD ARG 55 1HD ARG 55 -7.417 3.803 10.127 312 HE ARG 55 HE ARG 55 -5.181 2.017 10.403 313 1HH1 ARG 55 1HH1 ARG 55 -6.619 4.995 11.518 314 2HH1 ARG 55 2HH1 ARG 55 -5.803 4.962 13.045 315 1HH2 ARG 55 1HH2 ARG 55 -4.109 1.972 12.412 316 2HH2 ARG 55 2HH2 ARG 55 -4.379 3.247 13.554 317 HA PRO 56 HA PRO 56 -12.723 3.137 5.661 318 1HB PRO 56 2HB PRO 56 -13.902 4.758 7.467 319 2HB PRO 56 1HB PRO 56 -13.967 2.996 7.597 320 1HG PRO 56 2HG PRO 56 -12.182 4.937 9.018 321 2HG PRO 56 1HG PRO 56 -13.047 3.530 9.668 322 1HD PRO 56 2HD PRO 56 -10.405 3.479 9.026 323 2HD PRO 56 1HD PRO 56 -11.453 2.050 8.920 324 H ALA 57 H ALA 57 -11.859 4.390 4.053 325 HA ALA 57 HA ALA 57 -11.717 6.369 2.894 326 1HB ALA 57 1HB ALA 57 -12.518 8.285 3.750 327 2HB ALA 57 2HB ALA 57 -11.525 8.174 5.203 328 3HB ALA 57 3HB ALA 57 -13.028 7.257 5.089 329 H GLY 58 H GLY 58 -9.605 5.140 5.161 330 1HA GLY 58 2HA GLY 58 -7.530 7.032 5.205 331 2HA GLY 58 1HA GLY 58 -7.337 5.303 5.451 332 HA PRO 59 HA PRO 59 -5.104 6.952 1.527 333 1HB PRO 59 2HB PRO 59 -3.190 5.025 2.778 334 2HB PRO 59 1HB PRO 59 -2.864 6.531 1.915 335 1HG PRO 59 2HG PRO 59 -2.736 6.438 4.572 336 2HG PRO 59 1HG PRO 59 -3.409 7.854 3.739 337 1HD PRO 59 2HD PRO 59 -4.804 5.700 5.243 338 2HD PRO 59 1HD PRO 59 -5.245 7.407 5.041 339 H GLY 60 H GLY 60 -5.152 3.699 2.997 340 1HA GLY 60 2HA GLY 60 -4.828 2.216 0.659 341 2HA GLY 60 1HA GLY 60 -5.645 1.642 2.105 342 H ASP 61 H ASP 61 -7.795 3.459 2.135 343 HA ASP 61 HA ASP 61 -9.520 2.209 0.235 344 1HB ASP 61 2HB ASP 61 -9.841 3.566 2.672 345 2HB ASP 61 1HB ASP 61 -10.676 4.557 1.479 346 H LEU 62 H LEU 62 -7.868 5.270 0.510 347 HA LEU 62 HA LEU 62 -9.272 6.586 -1.578 348 1HB LEU 62 2HB LEU 62 -6.601 7.100 -0.283 349 2HB LEU 62 1HB LEU 62 -7.259 8.128 -1.541 350 HG LEU 62 HG LEU 62 -8.872 7.600 0.924 351 1HD1 LEU 62 1HD1 LEU 62 -7.847 9.427 2.075 352 2HD1 LEU 62 2HD1 LEU 62 -6.789 9.763 0.705 353 3HD1 LEU 62 3HD1 LEU 62 -6.583 8.279 1.634 354 1HD2 LEU 62 1HD2 LEU 62 -10.016 9.515 0.336 355 2HD2 LEU 62 2HD2 LEU 62 -9.618 8.835 -1.242 356 3HD2 LEU 62 3HD2 LEU 62 -8.664 10.166 -0.589 357 H GLY 63 H GLY 63 -6.482 4.491 -1.422 358 1HA GLY 63 2HA GLY 63 -5.537 5.018 -4.066 359 2HA GLY 63 1HA GLY 63 -5.087 3.653 -3.054 360 H GLY 64 H GLY 64 -7.208 2.169 -2.697 361 1HA GLY 64 2HA GLY 64 -9.196 1.378 -3.940 362 2HA GLY 64 1HA GLY 64 -8.280 1.675 -5.409 363 H LEU 65 H LEU 65 -7.095 0.153 -2.443 364 HA LEU 65 HA LEU 65 -6.624 -2.295 -4.012 365 1HB LEU 65 2HB LEU 65 -4.852 -2.777 -2.312 366 2HB LEU 65 1HB LEU 65 -4.543 -1.380 -3.327 367 HG LEU 65 HG LEU 65 -5.890 -0.791 -0.772 368 1HD1 LEU 65 1HD1 LEU 65 -3.008 -1.674 -0.821 369 2HD1 LEU 65 2HD1 LEU 65 -4.340 -2.559 -0.077 370 3HD1 LEU 65 3HD1 LEU 65 -3.868 -0.982 0.555 371 1HD2 LEU 65 1HD2 LEU 65 -4.944 1.221 -1.072 372 2HD2 LEU 65 2HD2 LEU 65 -4.670 0.660 -2.720 373 3HD2 LEU 65 3HD2 LEU 65 -3.384 0.535 -1.521 374 H LYS 66 H LYS 66 -7.657 -4.092 -3.440 375 HA LYS 66 HA LYS 66 -9.214 -4.078 -0.963 376 1HB LYS 66 2HB LYS 66 -9.437 -5.447 -3.587 377 2HB LYS 66 1HB LYS 66 -10.002 -6.341 -2.183 378 1HG LYS 66 2HG LYS 66 -11.209 -3.999 -1.718 379 2HG LYS 66 1HG LYS 66 -11.119 -3.940 -3.481 380 1HD LYS 66 2HD LYS 66 -11.974 -6.486 -3.088 381 2HD LYS 66 1HD LYS 66 -12.727 -5.664 -1.719 382 1HE LYS 66 2HE LYS 66 -12.936 -4.271 -4.304 383 2HE LYS 66 1HE LYS 66 -13.804 -5.802 -4.199 384 1HZ LYS 66 1HZ LYS 66 -14.128 -3.996 -1.946 385 2HZ LYS 66 2HZ LYS 66 -15.268 -4.973 -2.725 386 3HZ LYS 66 3HZ LYS 66 -14.826 -3.488 -3.403 387 HA PRO 67 HA PRO 67 -6.874 -6.995 1.341 388 1HB PRO 67 2HB PRO 67 -8.718 -9.073 1.690 389 2HB PRO 67 1HB PRO 67 -8.531 -7.664 2.738 390 1HG PRO 67 2HG PRO 67 -10.494 -8.153 0.548 391 2HG PRO 67 1HG PRO 67 -10.715 -7.307 2.091 392 1HD PRO 67 2HD PRO 67 -10.466 -5.958 -0.206 393 2HD PRO 67 1HD PRO 67 -9.743 -5.350 1.298 394 H TYR 68 H TYR 68 -5.707 -8.928 1.185 395 HA TYR 68 HA TYR 68 -4.974 -10.920 0.278 396 1HB TYR 68 2HB TYR 68 -6.715 -10.474 -2.144 397 2HB TYR 68 1HB TYR 68 -5.977 -11.974 -1.596 398 HD1 TYR 68 1HD TYR 68 -9.013 -10.743 -2.070 399 HD2 TYR 68 2HD TYR 68 -6.673 -12.129 1.201 400 HE1 TYR 68 1HE TYR 68 -11.069 -11.299 -0.842 401 HE2 TYR 68 2HE TYR 68 -8.722 -12.690 2.439 402 HH TYR 68 HH TYR 68 -11.817 -12.708 0.956 403 H ASP 69 H ASP 69 -5.134 -7.889 -1.338 404 HA ASP 69 HA ASP 69 -3.431 -8.269 -3.494 405 1HB ASP 69 2HB ASP 69 -2.849 -5.817 -3.162 406 2HB ASP 69 1HB ASP 69 -4.559 -6.185 -3.347 407 H ARG 70 H ARG 70 -1.830 -9.708 -2.913 408 HA ARG 70 HA ARG 70 -0.060 -9.348 -0.746 409 1HB ARG 70 2HB ARG 70 -0.391 -11.511 -1.745 410 2HB ARG 70 1HB ARG 70 0.172 -10.927 -3.304 411 1HG ARG 70 2HG ARG 70 2.281 -10.386 -1.593 412 2HG ARG 70 1HG ARG 70 1.676 -11.953 -1.049 413 1HD ARG 70 2HD ARG 70 1.666 -12.213 -3.783 414 2HD ARG 70 1HD ARG 70 3.102 -11.234 -3.493 415 HE ARG 70 HE ARG 70 4.109 -13.046 -2.509 416 1HH1 ARG 70 1HH1 ARG 70 0.699 -13.693 -2.885 417 2HH1 ARG 70 2HH1 ARG 70 0.843 -15.366 -2.461 418 1HH2 ARG 70 1HH2 ARG 70 4.298 -15.246 -1.953 419 2HH2 ARG 70 2HH2 ARG 70 2.886 -16.248 -1.931 420 H LEU 71 H LEU 71 1.474 -7.871 -0.514 421 HA LEU 71 HA LEU 71 2.221 -6.088 -2.588 422 1HB LEU 71 2HB LEU 71 3.705 -6.520 -0.003 423 2HB LEU 71 1HB LEU 71 3.656 -5.065 -0.984 424 HG LEU 71 HG LEU 71 1.050 -6.004 0.048 425 1HD1 LEU 71 1HD1 LEU 71 2.940 -6.232 1.874 426 2HD1 LEU 71 2HD1 LEU 71 1.358 -5.555 2.261 427 3HD1 LEU 71 3HD1 LEU 71 2.728 -4.484 1.970 428 1HD2 LEU 71 1HD2 LEU 71 2.021 -3.253 0.442 429 2HD2 LEU 71 2HD2 LEU 71 0.480 -3.837 -0.183 430 3HD2 LEU 71 3HD2 LEU 71 1.896 -3.791 -1.233 431 H LEU 72 H LEU 72 3.438 -6.660 -4.260 432 HA LEU 72 HA LEU 72 5.392 -8.775 -4.052 433 1HB LEU 72 2HB LEU 72 4.507 -7.011 -6.325 434 2HB LEU 72 1HB LEU 72 5.804 -8.178 -6.483 435 HG LEU 72 HG LEU 72 3.794 -9.722 -5.452 436 1HD1 LEU 72 1HD1 LEU 72 1.983 -8.995 -7.289 437 2HD1 LEU 72 2HD1 LEU 72 2.605 -7.409 -6.828 438 3HD1 LEU 72 3HD1 LEU 72 1.926 -8.482 -5.605 439 1HD2 LEU 72 1HD2 LEU 72 3.911 -10.843 -7.447 440 2HD2 LEU 72 2HD2 LEU 72 5.392 -9.892 -7.528 441 3HD2 LEU 72 3HD2 LEU 72 3.955 -9.363 -8.403 442 H GLN 73 H GLN 73 5.536 -5.362 -5.087 443 HA GLN 73 HA GLN 73 8.264 -5.256 -3.992 444 1HB GLN 73 2HB GLN 73 7.339 -4.026 -6.593 445 2HB GLN 73 1HB GLN 73 8.930 -3.817 -5.878 446 1HG GLN 73 2HG GLN 73 9.401 -6.169 -6.140 447 2HG GLN 73 1HG GLN 73 7.772 -6.450 -6.758 448 1HE2 GLN 73 1HE2 GLN 73 10.215 -3.969 -7.431 449 2HE2 GLN 73 2HE2 GLN 73 10.269 -4.242 -9.142 450 H VAL 74 H VAL 74 8.724 -3.526 -2.766 451 HA VAL 74 HA VAL 74 6.698 -1.389 -2.620 452 HB VAL 74 HB VAL 74 8.498 -2.306 -0.376 453 1HG1 VAL 74 1HG1 VAL 74 7.632 -0.665 0.894 454 2HG1 VAL 74 2HG1 VAL 74 6.027 -0.817 0.181 455 3HG1 VAL 74 3HG1 VAL 74 7.281 0.095 -0.659 456 1HG2 VAL 74 1HG2 VAL 74 6.399 -3.739 -1.373 457 2HG2 VAL 74 2HG2 VAL 74 5.617 -2.772 -0.125 458 3HG2 VAL 74 3HG2 VAL 74 6.976 -3.815 0.291 459 H ASN 75 H ASN 75 7.483 0.340 -3.641 460 HA ASN 75 HA ASN 75 8.820 2.094 -4.186 461 1HB ASN 75 2HB ASN 75 10.364 1.256 -1.721 462 2HB ASN 75 1HB ASN 75 10.578 2.775 -2.584 463 1HD2 ASN 75 1HD2 ASN 75 8.616 4.134 -2.788 464 2HD2 ASN 75 2HD2 ASN 75 7.534 4.193 -1.434 465 H HIS 76 H HIS 76 9.263 -0.433 -5.389 466 HA HIS 76 HA HIS 76 10.676 -1.139 -7.057 467 1HB HIS 76 2HB HIS 76 12.927 0.457 -5.835 468 2HB HIS 76 1HB HIS 76 12.803 -0.166 -7.477 469 HD1 HIS 76 1HD HIS 76 10.782 0.984 -8.927 470 HD2 HIS 76 2HD HIS 76 12.132 3.038 -5.577 471 HE1 HIS 76 1HE HIS 76 10.002 3.356 -9.233 472 HE2 HIS 76 2HE HIS 76 10.896 4.596 -7.230 473 H VAL 77 H VAL 77 11.217 -1.363 -3.703 474 HA VAL 77 HA VAL 77 13.301 -3.360 -3.880 475 HB VAL 77 HB VAL 77 11.650 -2.560 -1.478 476 1HG1 VAL 77 1HG1 VAL 77 13.361 -3.598 -0.157 477 2HG1 VAL 77 2HG1 VAL 77 14.334 -3.928 -1.590 478 3HG1 VAL 77 3HG1 VAL 77 12.800 -4.766 -1.352 479 1HG2 VAL 77 1HG2 VAL 77 14.047 -1.444 -1.030 480 2HG2 VAL 77 2HG2 VAL 77 12.715 -0.591 -1.811 481 3HG2 VAL 77 3HG2 VAL 77 13.990 -1.320 -2.787 482 H ARG 78 H ARG 78 13.071 -5.541 -3.683 483 HA ARG 78 HA ARG 78 10.550 -6.680 -4.336 484 1HB ARG 78 2HB ARG 78 13.306 -7.618 -3.979 485 2HB ARG 78 1HB ARG 78 12.092 -8.798 -3.502 486 1HG ARG 78 2HG ARG 78 11.079 -8.002 -5.867 487 2HG ARG 78 1HG ARG 78 12.804 -7.785 -6.167 488 1HD ARG 78 2HD ARG 78 13.265 -10.023 -5.944 489 2HD ARG 78 1HD ARG 78 11.878 -10.312 -4.894 490 HE ARG 78 HE ARG 78 10.603 -10.725 -6.749 491 1HH1 ARG 78 1HH1 ARG 78 13.553 -9.143 -7.736 492 2HH1 ARG 78 2HH1 ARG 78 13.258 -9.374 -9.427 493 1HH2 ARG 78 1HH2 ARG 78 10.213 -11.027 -8.973 494 2HH2 ARG 78 2HH2 ARG 78 11.362 -10.443 -10.130 495 H THR 79 H THR 79 8.943 -7.208 -3.023 496 HA THR 79 HA THR 79 9.523 -8.072 -0.295 497 HB THR 79 HB THR 79 7.941 -6.573 0.710 498 HG1 THR 79 1HG THR 79 7.413 -5.725 -1.939 499 1HG2 THR 79 1HG2 THR 79 8.890 -4.385 0.315 500 2HG2 THR 79 2HG2 THR 79 9.642 -4.960 -1.174 501 3HG2 THR 79 3HG2 THR 79 10.162 -5.606 0.383 502 H ARG 80 H ARG 80 8.583 -9.358 -2.774 503 HA ARG 80 HA ARG 80 5.794 -9.905 -2.502 504 1HB ARG 80 2HB ARG 80 7.639 -10.294 -4.481 505 2HB ARG 80 1HB ARG 80 7.443 -11.929 -3.862 506 1HG ARG 80 2HG ARG 80 4.869 -10.736 -4.149 507 2HG ARG 80 1HG ARG 80 5.777 -10.520 -5.646 508 1HD ARG 80 2HD ARG 80 6.233 -12.911 -5.734 509 2HD ARG 80 1HD ARG 80 5.385 -13.143 -4.206 510 HE ARG 80 HE ARG 80 3.552 -11.948 -5.847 511 1HH1 ARG 80 1HH1 ARG 80 5.493 -14.845 -6.001 512 2HH1 ARG 80 2HH1 ARG 80 4.342 -15.716 -6.957 513 1HH2 ARG 80 1HH2 ARG 80 2.037 -13.092 -7.103 514 2HH2 ARG 80 2HH2 ARG 80 2.379 -14.720 -7.584 515 H ASP 81 H ASP 81 8.724 -11.811 -1.821 516 HA ASP 81 HA ASP 81 7.140 -13.688 -0.241 517 1HB ASP 81 2HB ASP 81 9.923 -13.731 -1.369 518 2HB ASP 81 1HB ASP 81 9.461 -14.847 -0.087 519 H PHE 82 H PHE 82 7.765 -10.902 0.640 520 HA PHE 82 HA PHE 82 9.657 -11.184 2.794 521 1HB PHE 82 2HB PHE 82 7.989 -9.003 1.662 522 2HB PHE 82 1HB PHE 82 8.413 -8.865 3.365 523 HD1 PHE 82 1HD PHE 82 10.579 -10.420 0.820 524 HD2 PHE 82 2HD PHE 82 9.802 -6.957 3.167 525 HE1 PHE 82 1HE PHE 82 12.773 -9.506 0.187 526 HE2 PHE 82 2HE PHE 82 11.996 -6.036 2.538 527 HZ PHE 82 HZ PHE 82 13.484 -7.308 1.044 528 H ASP 83 H ASP 83 8.911 -10.400 5.030 529 HA ASP 83 HA ASP 83 6.472 -11.885 5.731 530 1HB ASP 83 2HB ASP 83 9.048 -11.384 7.187 531 2HB ASP 83 1HB ASP 83 7.583 -11.742 8.095 532 H CYS 84 H CYS 84 5.189 -11.021 7.534 533 HA CYS 84 HA CYS 84 4.329 -8.433 7.127 534 1HB CYS 84 2HB CYS 84 3.224 -8.620 9.348 535 2HB CYS 84 1HB CYS 84 2.968 -10.034 8.329 536 HG CYS 84 HG CYS 84 4.506 -11.399 9.842 537 H CYS 85 H CYS 85 6.709 -9.623 9.453 538 HA CYS 85 HA CYS 85 7.125 -7.207 10.799 539 1HB CYS 85 2HB CYS 85 7.986 -9.735 11.178 540 2HB CYS 85 1HB CYS 85 9.446 -9.017 10.507 541 HG CYS 85 HG CYS 85 8.245 -7.504 12.888 542 H LEU 86 H LEU 86 8.133 -8.284 7.692 543 HA LEU 86 HA LEU 86 10.228 -6.256 7.504 544 1HB LEU 86 2HB LEU 86 9.441 -8.642 5.903 545 2HB LEU 86 1HB LEU 86 10.257 -7.333 5.070 546 HG LEU 86 HG LEU 86 12.073 -7.523 6.853 547 1HD1 LEU 86 1HD1 LEU 86 12.135 -9.977 7.712 548 2HD1 LEU 86 2HD1 LEU 86 10.387 -9.903 7.492 549 3HD1 LEU 86 3HD1 LEU 86 11.189 -8.767 8.578 550 1HD2 LEU 86 1HD2 LEU 86 13.031 -9.591 5.738 551 2HD2 LEU 86 2HD2 LEU 86 12.574 -8.261 4.672 552 3HD2 LEU 86 3HD2 LEU 86 11.526 -9.671 4.824 553 H VAL 87 H VAL 87 7.008 -6.971 6.360 554 HA VAL 87 HA VAL 87 6.990 -4.879 4.391 555 HB VAL 87 HB VAL 87 4.666 -6.435 5.540 556 1HG1 VAL 87 1HG1 VAL 87 3.303 -5.365 4.113 557 2HG1 VAL 87 2HG1 VAL 87 4.490 -5.392 2.810 558 3HG1 VAL 87 3HG1 VAL 87 4.571 -4.140 4.049 559 1HG2 VAL 87 1HG2 VAL 87 4.962 -7.530 3.160 560 2HG2 VAL 87 2HG2 VAL 87 5.882 -8.103 4.551 561 3HG2 VAL 87 3HG2 VAL 87 6.634 -7.016 3.383 562 H VAL 88 H VAL 88 5.903 -5.266 7.731 563 HA VAL 88 HA VAL 88 4.312 -2.984 7.912 564 HB VAL 88 HB VAL 88 6.007 -4.209 10.095 565 1HG1 VAL 88 1HG1 VAL 88 4.521 -1.803 10.087 566 2HG1 VAL 88 2HG1 VAL 88 5.303 -2.603 11.452 567 3HG1 VAL 88 3HG1 VAL 88 3.626 -2.974 11.056 568 1HG2 VAL 88 1HG2 VAL 88 4.433 -5.780 10.384 569 2HG2 VAL 88 2HG2 VAL 88 3.958 -5.386 8.733 570 3HG2 VAL 88 3HG2 VAL 88 3.113 -4.648 10.093 571 HA PRO 89 HA PRO 89 8.289 -0.540 9.203 572 1HB PRO 89 2HB PRO 89 10.518 -2.133 8.162 573 2HB PRO 89 1HB PRO 89 10.288 -1.457 9.775 574 1HG PRO 89 2HG PRO 89 10.153 -4.107 9.297 575 2HG PRO 89 1HG PRO 89 9.163 -3.318 10.539 576 1HD PRO 89 2HD PRO 89 8.400 -4.167 7.771 577 2HD PRO 89 1HD PRO 89 7.495 -4.344 9.285 578 H LEU 90 H LEU 90 8.783 -2.562 6.299 579 HA LEU 90 HA LEU 90 9.998 -0.666 4.686 580 1HB LEU 90 2HB LEU 90 8.275 -3.044 4.119 581 2HB LEU 90 1HB LEU 90 8.768 -1.995 2.803 582 HG LEU 90 HG LEU 90 10.801 -3.179 4.668 583 1HD1 LEU 90 1HD1 LEU 90 9.084 -4.745 3.192 584 2HD1 LEU 90 2HD1 LEU 90 10.684 -5.212 3.767 585 3HD1 LEU 90 3HD1 LEU 90 10.485 -4.573 2.136 586 1HD2 LEU 90 1HD2 LEU 90 11.065 -1.295 2.777 587 2HD2 LEU 90 2HD2 LEU 90 11.287 -2.738 1.789 588 3HD2 LEU 90 3HD2 LEU 90 12.334 -2.450 3.178 589 H ILE 91 H ILE 91 6.631 -1.116 5.499 590 HA ILE 91 HA ILE 91 5.620 0.708 3.533 591 HB ILE 91 HB ILE 91 4.378 -0.544 5.982 592 1HG1 ILE 91 2HG1 ILE 91 3.679 -0.933 3.072 593 2HG1 ILE 91 1HG1 ILE 91 4.892 -1.912 3.895 594 1HG2 ILE 91 1HG2 ILE 91 2.317 0.441 4.384 595 2HG2 ILE 91 2HG2 ILE 91 3.472 1.765 4.511 596 3HG2 ILE 91 3HG2 ILE 91 2.810 1.031 5.970 597 1HD1 ILE 91 1HD1 ILE 91 1.995 -1.687 4.678 598 2HD1 ILE 91 2HD1 ILE 91 3.210 -2.700 5.457 599 3HD1 ILE 91 3HD1 ILE 91 2.726 -3.025 3.792 600 H ALA 92 H ALA 92 6.260 0.877 7.020 601 HA ALA 92 HA ALA 92 5.464 3.598 7.237 602 1HB ALA 92 1HB ALA 92 6.340 3.452 9.522 603 2HB ALA 92 2HB ALA 92 7.017 1.867 9.147 604 3HB ALA 92 3HB ALA 92 5.269 2.107 9.134 605 H GLU 93 H GLU 93 8.143 2.248 5.835 606 HA GLU 93 HA GLU 93 9.939 4.411 6.651 607 1HB GLU 93 2HB GLU 93 10.339 1.698 5.493 608 2HB GLU 93 1HB GLU 93 11.531 2.934 5.118 609 1HG GLU 93 2HG GLU 93 11.926 3.291 7.492 610 2HG GLU 93 1HG GLU 93 10.709 2.078 7.884 611 H SER 94 H SER 94 7.830 3.595 4.158 612 HA SER 94 HA SER 94 9.194 4.626 1.923 613 1HB SER 94 2HB SER 94 6.204 4.564 2.364 614 2HB SER 94 1HB SER 94 7.041 4.643 0.814 615 HG SER 94 HG SER 94 8.008 2.571 1.473 616 H GLY 95 H GLY 95 7.867 6.185 4.620 617 1HA GLY 95 2HA GLY 95 8.151 8.462 5.116 618 2HA GLY 95 1HA GLY 95 8.422 8.776 3.409 619 H ASN 96 H ASN 96 6.983 10.440 3.174 620 HA ASN 96 HA ASN 96 4.305 10.317 4.163 621 1HB ASN 96 2HB ASN 96 5.915 12.216 2.550 622 2HB ASN 96 1HB ASN 96 4.168 12.296 2.348 623 1HD2 ASN 96 1HD2 ASN 96 6.706 12.279 4.804 624 2HD2 ASN 96 2HD2 ASN 96 5.873 13.307 5.925 625 H LYS 97 H LYS 97 5.781 8.804 1.573 626 HA LYS 97 HA LYS 97 3.178 8.310 0.321 627 1HB LYS 97 2HB LYS 97 5.696 9.224 -1.037 628 2HB LYS 97 1HB LYS 97 4.519 8.249 -1.905 629 1HG LYS 97 2HG LYS 97 3.011 9.931 -2.030 630 2HG LYS 97 1HG LYS 97 3.487 10.622 -0.478 631 1HD LYS 97 2HD LYS 97 4.203 12.200 -2.048 632 2HD LYS 97 1HD LYS 97 5.664 11.285 -1.662 633 1HE LYS 97 2HE LYS 97 5.349 9.934 -3.674 634 2HE LYS 97 1HE LYS 97 3.882 10.835 -4.055 635 1HZ LYS 97 1HZ LYS 97 6.514 12.158 -3.756 636 2HZ LYS 97 2HZ LYS 97 5.112 12.771 -4.478 637 3HZ LYS 97 3HZ LYS 97 5.982 11.536 -5.238 638 H LEU 98 H LEU 98 3.003 6.266 -0.729 639 HA LEU 98 HA LEU 98 5.233 4.416 -0.288 640 1HB LEU 98 2HB LEU 98 3.160 4.455 1.447 641 2HB LEU 98 1HB LEU 98 2.541 3.326 0.260 642 HG LEU 98 HG LEU 98 4.925 3.047 2.058 643 1HD1 LEU 98 1HD1 LEU 98 2.687 2.221 2.734 644 2HD1 LEU 98 2HD1 LEU 98 3.901 0.950 2.608 645 3HD1 LEU 98 3HD1 LEU 98 2.700 1.150 1.334 646 1HD2 LEU 98 1HD2 LEU 98 4.430 1.562 -0.520 647 2HD2 LEU 98 2HD2 LEU 98 5.528 1.013 0.747 648 3HD2 LEU 98 3HD2 LEU 98 5.842 2.531 -0.095 649 H ASP 99 H ASP 99 5.680 4.130 -2.426 650 HA ASP 99 HA ASP 99 3.507 3.383 -4.236 651 1HB ASP 99 2HB ASP 99 6.435 3.948 -4.762 652 2HB ASP 99 1HB ASP 99 5.263 3.516 -6.003 653 H LEU 100 H LEU 100 3.018 1.295 -4.449 654 HA LEU 100 HA LEU 100 5.182 -0.673 -4.461 655 1HB LEU 100 2HB LEU 100 3.702 -2.146 -2.973 656 2HB LEU 100 1HB LEU 100 4.631 -0.867 -2.214 657 HG LEU 100 HG LEU 100 2.369 0.488 -2.578 658 1HD1 LEU 100 1HD1 LEU 100 1.543 -1.869 -3.578 659 2HD1 LEU 100 2HD1 LEU 100 0.473 -0.705 -2.797 660 3HD1 LEU 100 3HD1 LEU 100 1.100 -2.078 -1.885 661 1HD2 LEU 100 1HD2 LEU 100 2.026 0.277 -0.320 662 2HD2 LEU 100 2HD2 LEU 100 3.689 -0.300 -0.454 663 3HD2 LEU 100 3HD2 LEU 100 2.362 -1.454 -0.319 664 H VAL 101 H VAL 101 4.586 -2.745 -5.302 665 HA VAL 101 HA VAL 101 2.267 -2.618 -7.121 666 HB VAL 101 HB VAL 101 4.683 -4.403 -7.432 667 1HG1 VAL 101 1HG1 VAL 101 2.227 -4.548 -8.614 668 2HG1 VAL 101 2HG1 VAL 101 3.723 -5.183 -9.300 669 3HG1 VAL 101 3HG1 VAL 101 3.138 -3.591 -9.781 670 1HG2 VAL 101 1HG2 VAL 101 4.192 -1.628 -8.477 671 2HG2 VAL 101 2HG2 VAL 101 5.299 -2.749 -9.269 672 3HG2 VAL 101 3HG2 VAL 101 5.596 -2.242 -7.605 673 H ILE 102 H ILE 102 0.616 -3.714 -6.251 674 HA ILE 102 HA ILE 102 1.196 -6.173 -4.742 675 HB ILE 102 HB ILE 102 -1.033 -5.944 -3.784 676 1HG1 ILE 102 2HG1 ILE 102 -2.094 -3.567 -4.283 677 2HG1 ILE 102 1HG1 ILE 102 -1.228 -3.753 -5.805 678 1HG2 ILE 102 1HG2 ILE 102 -0.595 -3.457 -2.860 679 2HG2 ILE 102 2HG2 ILE 102 0.987 -3.803 -3.557 680 3HG2 ILE 102 3HG2 ILE 102 0.317 -4.867 -2.321 681 1HD1 ILE 102 1HD1 ILE 102 -2.868 -5.002 -6.579 682 2HD1 ILE 102 2HD1 ILE 102 -3.725 -4.843 -5.045 683 3HD1 ILE 102 3HD1 ILE 102 -2.594 -6.175 -5.289 684 H SER 103 H SER 103 -0.572 -7.851 -4.884 685 HA SER 103 HA SER 103 -1.643 -8.086 -7.614 686 1HB SER 103 2HB SER 103 0.402 -9.715 -6.392 687 2HB SER 103 1HB SER 103 -1.015 -10.696 -6.748 688 HG SER 103 HG SER 103 0.133 -10.707 -8.601 689 H ARG 104 H ARG 104 -3.796 -8.187 -7.442 690 HA ARG 104 HA ARG 104 -4.950 -9.960 -5.415 691 1HB ARG 104 2HB ARG 104 -6.716 -8.225 -4.953 692 2HB ARG 104 1HB ARG 104 -5.114 -7.847 -4.336 693 1HG ARG 104 2HG ARG 104 -5.465 -5.851 -5.276 694 2HG ARG 104 1HG ARG 104 -5.018 -6.669 -6.774 695 1HD ARG 104 2HD ARG 104 -7.069 -6.433 -7.612 696 2HD ARG 104 1HD ARG 104 -7.813 -7.064 -6.142 697 HE ARG 104 HE ARG 104 -7.022 -4.481 -5.565 698 1HH1 ARG 104 1HH1 ARG 104 -9.193 -6.041 -7.808 699 2HH1 ARG 104 2HH1 ARG 104 -10.279 -4.695 -7.887 700 1HH2 ARG 104 1HH2 ARG 104 -8.449 -2.710 -5.667 701 2HH2 ARG 104 2HH2 ARG 104 -9.857 -2.804 -6.672 702 H ASN 105 H ASN 105 -6.576 -11.174 -6.151 703 HA ASN 105 HA ASN 105 -7.267 -11.183 -8.888 704 1HB ASN 105 2HB ASN 105 -7.991 -12.707 -6.474 705 2HB ASN 105 1HB ASN 105 -9.251 -12.648 -7.703 706 1HD2 ASN 105 1HD2 ASN 105 -7.905 -12.704 -10.016 707 2HD2 ASN 105 2HD2 ASN 105 -6.997 -14.171 -10.163 708 HA PRO 106 HA PRO 106 -10.354 -7.927 -8.589 709 1HB PRO 106 2HB PRO 106 -11.108 -7.952 -11.193 710 2HB PRO 106 1HB PRO 106 -9.605 -7.203 -10.640 711 1HG PRO 106 2HG PRO 106 -10.037 -9.891 -11.887 712 2HG PRO 106 1HG PRO 106 -8.763 -8.698 -12.210 713 1HD PRO 106 2HD PRO 106 -8.370 -10.870 -10.638 714 2HD PRO 106 1HD PRO 106 -7.529 -9.330 -10.371 Start of MODEL 17 1 1H SER 16 1HT SER 16 -13.518 -13.951 -13.332 2 2H SER 16 2HT SER 16 -12.453 -12.639 -13.635 3 3H SER 16 3HT SER 16 -13.796 -12.433 -12.585 4 HA SER 16 HA SER 16 -11.633 -12.671 -11.478 5 1HB SER 16 2HB SER 16 -13.574 -14.892 -10.829 6 2HB SER 16 1HB SER 16 -12.594 -13.942 -9.711 7 HG SER 16 HG SER 16 -13.870 -12.116 -10.319 8 HA PRO 17 HA PRO 17 -9.680 -16.185 -13.761 9 1HB PRO 17 2HB PRO 17 -7.233 -15.045 -13.965 10 2HB PRO 17 1HB PRO 17 -8.538 -14.708 -15.108 11 1HG PRO 17 2HG PRO 17 -7.611 -13.095 -12.761 12 2HG PRO 17 1HG PRO 17 -8.054 -12.549 -14.391 13 1HD PRO 17 2HD PRO 17 -9.740 -12.366 -12.271 14 2HD PRO 17 1HD PRO 17 -10.309 -12.610 -13.934 15 H THR 18 H THR 18 -8.389 -17.784 -12.926 16 HA THR 18 HA THR 18 -8.122 -18.088 -10.210 17 HB THR 18 HB THR 18 -6.419 -19.355 -12.359 18 HG1 THR 18 1HG THR 18 -8.202 -20.309 -12.850 19 1HG2 THR 18 1HG2 THR 18 -6.481 -21.291 -10.669 20 2HG2 THR 18 2HG2 THR 18 -6.828 -20.035 -9.481 21 3HG2 THR 18 3HG2 THR 18 -5.334 -19.975 -10.417 22 HA PRO 19 HA PRO 19 -3.475 -16.708 -10.523 23 1HB PRO 19 2HB PRO 19 -2.851 -15.099 -12.638 24 2HB PRO 19 1HB PRO 19 -2.630 -16.852 -12.646 25 1HG PRO 19 2HG PRO 19 -4.854 -15.217 -13.800 26 2HG PRO 19 1HG PRO 19 -4.013 -16.613 -14.497 27 1HD PRO 19 2HD PRO 19 -6.438 -16.829 -13.347 28 2HD PRO 19 1HD PRO 19 -5.234 -18.129 -13.252 29 H VAL 20 H VAL 20 -3.245 -15.178 -9.047 30 HA VAL 20 HA VAL 20 -4.954 -13.164 -8.409 31 HB VAL 20 HB VAL 20 -3.029 -12.029 -7.285 32 1HG1 VAL 20 1HG1 VAL 20 -2.366 -14.449 -6.162 33 2HG1 VAL 20 2HG1 VAL 20 -3.941 -14.770 -6.884 34 3HG1 VAL 20 3HG1 VAL 20 -3.755 -13.457 -5.723 35 1HG2 VAL 20 1HG2 VAL 20 -1.296 -12.508 -8.906 36 2HG2 VAL 20 2HG2 VAL 20 -1.444 -14.237 -8.594 37 3HG2 VAL 20 3HG2 VAL 20 -0.842 -13.161 -7.333 38 H GLU 21 H GLU 21 -5.018 -10.914 -8.701 39 HA GLU 21 HA GLU 21 -3.751 -9.970 -11.188 40 1HB GLU 21 2HB GLU 21 -6.457 -9.634 -10.055 41 2HB GLU 21 1HB GLU 21 -5.741 -8.161 -10.696 42 1HG GLU 21 2HG GLU 21 -5.448 -9.178 -12.851 43 2HG GLU 21 1HG GLU 21 -5.988 -10.738 -12.230 44 H LEU 22 H LEU 22 -2.198 -8.481 -10.921 45 HA LEU 22 HA LEU 22 -2.109 -7.079 -8.354 46 1HB LEU 22 2HB LEU 22 0.261 -6.807 -8.686 47 2HB LEU 22 1HB LEU 22 -0.182 -8.496 -8.852 48 HG LEU 22 HG LEU 22 -0.276 -7.931 -11.389 49 1HD1 LEU 22 1HD1 LEU 22 1.820 -6.228 -11.581 50 2HD1 LEU 22 2HD1 LEU 22 0.961 -5.546 -10.201 51 3HD1 LEU 22 3HD1 LEU 22 0.132 -5.747 -11.744 52 1HD2 LEU 22 1HD2 LEU 22 1.449 -9.262 -9.853 53 2HD2 LEU 22 2HD2 LEU 22 2.512 -7.961 -10.390 54 3HD2 LEU 22 3HD2 LEU 22 1.722 -9.000 -11.576 55 H HIS 23 H HIS 23 -1.490 -4.902 -8.226 56 HA HIS 23 HA HIS 23 -1.518 -3.306 -10.651 57 1HB HIS 23 2HB HIS 23 -3.316 -1.834 -9.829 58 2HB HIS 23 1HB HIS 23 -3.895 -3.475 -10.094 59 HD1 HIS 23 1HD HIS 23 -2.774 -1.249 -7.232 60 HD2 HIS 23 2HD HIS 23 -5.162 -4.571 -7.951 61 HE1 HIS 23 1HE HIS 23 -3.934 -1.729 -5.055 62 HE2 HIS 23 2HE HIS 23 -5.429 -3.696 -5.534 63 H LYS 24 H LYS 24 -0.482 -1.340 -10.423 64 HA LYS 24 HA LYS 24 1.230 -1.090 -8.129 65 1HB LYS 24 2HB LYS 24 2.117 0.906 -9.310 66 2HB LYS 24 1HB LYS 24 2.132 -0.546 -10.301 67 1HG LYS 24 2HG LYS 24 -0.291 0.546 -10.929 68 2HG LYS 24 1HG LYS 24 0.713 1.976 -10.681 69 1HD LYS 24 2HD LYS 24 1.608 -0.327 -12.393 70 2HD LYS 24 1HD LYS 24 0.631 0.994 -13.037 71 1HE LYS 24 2HE LYS 24 2.643 1.918 -13.464 72 2HE LYS 24 1HE LYS 24 2.551 2.395 -11.770 73 1HZ LYS 24 1HZ LYS 24 3.683 0.147 -11.350 74 2HZ LYS 24 2HZ LYS 24 4.624 1.420 -11.944 75 3HZ LYS 24 3HZ LYS 24 4.097 0.202 -12.990 76 H VAL 25 H VAL 25 0.517 -0.267 -6.288 77 HA VAL 25 HA VAL 25 -1.500 1.868 -6.370 78 HB VAL 25 HB VAL 25 -1.133 0.956 -3.701 79 1HG1 VAL 25 1HG1 VAL 25 -3.533 0.012 -4.318 80 2HG1 VAL 25 2HG1 VAL 25 -3.285 1.030 -5.736 81 3HG1 VAL 25 3HG1 VAL 25 -3.223 1.737 -4.122 82 1HG2 VAL 25 1HG2 VAL 25 -0.173 -1.092 -4.557 83 2HG2 VAL 25 2HG2 VAL 25 -1.522 -1.294 -5.675 84 3HG2 VAL 25 3HG2 VAL 25 -1.793 -1.413 -3.936 85 H THR 26 H THR 26 -1.324 3.652 -4.953 86 HA THR 26 HA THR 26 1.344 4.151 -3.834 87 HB THR 26 HB THR 26 -0.244 6.067 -5.560 88 HG1 THR 26 1HG THR 26 0.992 4.452 -6.668 89 1HG2 THR 26 1HG2 THR 26 2.215 7.184 -5.283 90 2HG2 THR 26 2HG2 THR 26 1.922 6.549 -3.664 91 3HG2 THR 26 3HG2 THR 26 0.773 7.672 -4.392 92 H LEU 27 H LEU 27 1.170 4.697 -1.745 93 HA LEU 27 HA LEU 27 -1.413 5.742 -0.801 94 1HB LEU 27 2HB LEU 27 0.764 4.225 0.623 95 2HB LEU 27 1HB LEU 27 -0.594 4.962 1.451 96 HG LEU 27 HG LEU 27 -1.641 3.353 -0.647 97 1HD1 LEU 27 1HD1 LEU 27 0.691 2.294 -0.367 98 2HD1 LEU 27 2HD1 LEU 27 -0.726 1.245 -0.355 99 3HD1 LEU 27 3HD1 LEU 27 0.059 1.685 1.163 100 1HD2 LEU 27 1HD2 LEU 27 -1.969 2.107 1.881 101 2HD2 LEU 27 2HD2 LEU 27 -3.125 3.090 0.982 102 3HD2 LEU 27 3HD2 LEU 27 -2.024 3.852 2.127 103 H TYR 28 H TYR 28 -1.133 6.976 1.350 104 HA TYR 28 HA TYR 28 1.152 8.804 1.286 105 1HB TYR 28 2HB TYR 28 -1.686 9.811 1.534 106 2HB TYR 28 1HB TYR 28 -0.217 10.767 1.368 107 HD1 TYR 28 1HD TYR 28 0.966 10.840 -0.815 108 HD2 TYR 28 2HD TYR 28 -2.806 8.924 -0.375 109 HE1 TYR 28 1HE TYR 28 0.663 10.892 -3.254 110 HE2 TYR 28 2HE TYR 28 -3.121 8.969 -2.813 111 HH TYR 28 HH TYR 28 -2.158 10.541 -4.763 112 H LYS 29 H LYS 29 1.974 9.006 3.280 113 HA LYS 29 HA LYS 29 0.382 8.056 5.536 114 1HB LYS 29 2HB LYS 29 3.019 7.667 4.838 115 2HB LYS 29 1HB LYS 29 3.132 8.881 6.105 116 1HG LYS 29 2HG LYS 29 1.496 7.256 7.361 117 2HG LYS 29 1HG LYS 29 2.176 6.069 6.248 118 1HD LYS 29 2HD LYS 29 3.867 5.856 7.686 119 2HD LYS 29 1HD LYS 29 4.385 7.465 7.183 120 1HE LYS 29 2HE LYS 29 3.785 8.385 9.133 121 2HE LYS 29 1HE LYS 29 2.253 7.513 9.172 122 1HZ LYS 29 1HZ LYS 29 3.271 6.534 10.923 123 2HZ LYS 29 2HZ LYS 29 4.833 6.791 10.326 124 3HZ LYS 29 3HZ LYS 29 3.893 5.527 9.713 125 H ASP 30 H ASP 30 0.065 9.224 7.425 126 HA ASP 30 HA ASP 30 0.568 12.120 7.230 127 1HB ASP 30 2HB ASP 30 -1.901 11.050 7.055 128 2HB ASP 30 1HB ASP 30 -1.772 11.199 8.804 129 H SER 31 H SER 31 0.862 13.234 9.235 130 HA SER 31 HA SER 31 2.484 11.848 11.076 131 1HB SER 31 2HB SER 31 2.038 14.054 12.455 132 2HB SER 31 1HB SER 31 3.012 14.095 10.985 133 HG SER 31 HG SER 31 1.581 15.670 10.641 134 H GLY 32 H GLY 32 -0.936 12.393 10.956 135 1HA GLY 32 2HA GLY 32 -1.229 11.573 13.761 136 2HA GLY 32 1HA GLY 32 -2.488 12.285 12.765 137 H MET 33 H MET 33 -1.023 10.047 10.848 138 HA MET 33 HA MET 33 -3.201 8.188 11.192 139 1HB MET 33 2HB MET 33 -1.322 8.866 9.113 140 2HB MET 33 1HB MET 33 -1.350 7.125 9.356 141 1HG MET 33 2HG MET 33 -2.931 7.860 7.639 142 2HG MET 33 1HG MET 33 -3.731 7.069 8.996 143 1HE MET 33 1HE MET 33 -5.574 8.039 7.453 144 2HE MET 33 2HE MET 33 -5.163 9.585 6.708 145 3HE MET 33 3HE MET 33 -6.424 9.508 7.938 146 H GLU 34 H GLU 34 -3.159 6.294 12.231 147 HA GLU 34 HA GLU 34 -0.807 5.565 13.725 148 1HB GLU 34 2HB GLU 34 -3.612 4.503 13.569 149 2HB GLU 34 1HB GLU 34 -2.360 3.611 14.420 150 1HG GLU 34 2HG GLU 34 -2.020 6.041 15.515 151 2HG GLU 34 1HG GLU 34 -3.744 6.102 15.152 152 H ASP 35 H ASP 35 -1.945 4.876 10.649 153 HA ASP 35 HA ASP 35 0.063 2.843 10.267 154 1HB ASP 35 2HB ASP 35 -2.586 2.033 10.806 155 2HB ASP 35 1HB ASP 35 -2.353 1.810 9.074 156 H PHE 36 H PHE 36 -0.776 1.919 7.761 157 HA PHE 36 HA PHE 36 -0.618 4.416 6.220 158 1HB PHE 36 2HB PHE 36 0.963 2.115 6.123 159 2HB PHE 36 1HB PHE 36 -0.037 2.039 4.674 160 HD1 PHE 36 1HD PHE 36 -0.239 4.394 3.422 161 HD2 PHE 36 2HD PHE 36 2.968 3.205 5.954 162 HE1 PHE 36 1HE PHE 36 1.231 6.037 2.327 163 HE2 PHE 36 2HE PHE 36 4.445 4.843 4.862 164 HZ PHE 36 HZ PHE 36 3.575 6.263 3.047 165 H GLY 37 H GLY 37 -3.095 3.107 7.226 166 1HA GLY 37 2HA GLY 37 -5.234 3.276 6.277 167 2HA GLY 37 1HA GLY 37 -4.508 3.198 4.683 168 H PHE 38 H PHE 38 -3.115 0.720 6.352 169 HA PHE 38 HA PHE 38 -5.201 -1.181 6.435 170 1HB PHE 38 2HB PHE 38 -4.752 -2.487 4.465 171 2HB PHE 38 1HB PHE 38 -5.118 -0.838 3.982 172 HD1 PHE 38 1HD PHE 38 -2.232 -3.085 4.693 173 HD2 PHE 38 2HD PHE 38 -3.717 0.244 2.496 174 HE1 PHE 38 1HE PHE 38 -0.160 -3.039 3.370 175 HE2 PHE 38 2HE PHE 38 -1.646 0.295 1.173 176 HZ PHE 38 HZ PHE 38 0.133 -1.351 1.602 177 H SER 39 H SER 39 -4.558 -3.200 7.171 178 HA SER 39 HA SER 39 -1.744 -3.347 8.018 179 1HB SER 39 2HB SER 39 -2.799 -5.105 9.662 180 2HB SER 39 1HB SER 39 -2.966 -3.382 9.999 181 HG SER 39 HG SER 39 -5.047 -3.446 9.220 182 H VAL 40 H VAL 40 -0.533 -5.108 7.512 183 HA VAL 40 HA VAL 40 -1.725 -6.995 5.617 184 HB VAL 40 HB VAL 40 0.536 -7.530 4.935 185 1HG1 VAL 40 1HG1 VAL 40 1.248 -4.994 4.470 186 2HG1 VAL 40 2HG1 VAL 40 -0.424 -4.738 4.973 187 3HG1 VAL 40 3HG1 VAL 40 -0.065 -5.799 3.610 188 1HG2 VAL 40 1HG2 VAL 40 1.345 -5.714 7.195 189 2HG2 VAL 40 2HG2 VAL 40 2.440 -6.186 5.896 190 3HG2 VAL 40 3HG2 VAL 40 1.763 -7.412 6.967 191 H ALA 41 H ALA 41 -1.036 -9.268 5.707 192 HA ALA 41 HA ALA 41 -0.548 -10.177 8.467 193 1HB ALA 41 1HB ALA 41 -2.492 -11.244 8.483 194 2HB ALA 41 2HB ALA 41 -2.030 -12.145 7.040 195 3HB ALA 41 3HB ALA 41 -2.856 -10.594 6.886 196 H ASP 42 H ASP 42 0.110 -12.571 8.478 197 HA ASP 42 HA ASP 42 2.406 -12.832 6.746 198 1HB ASP 42 2HB ASP 42 1.984 -13.535 9.322 199 2HB ASP 42 1HB ASP 42 1.664 -15.075 8.530 200 H GLY 43 H GLY 43 2.673 -14.215 5.075 201 1HA GLY 43 2HA GLY 43 0.305 -15.776 4.276 202 2HA GLY 43 1HA GLY 43 1.527 -15.158 3.175 203 H LEU 44 H LEU 44 0.521 -17.789 5.086 204 HA LEU 44 HA LEU 44 3.107 -19.123 4.917 205 1HB LEU 44 2HB LEU 44 0.600 -19.572 6.440 206 2HB LEU 44 1HB LEU 44 1.574 -20.981 6.060 207 HG LEU 44 HG LEU 44 2.031 -20.026 8.306 208 1HD1 LEU 44 1HD1 LEU 44 4.336 -19.903 6.364 209 2HD1 LEU 44 2HD1 LEU 44 3.715 -21.357 7.145 210 3HD1 LEU 44 3HD1 LEU 44 4.463 -20.086 8.114 211 1HD2 LEU 44 1HD2 LEU 44 1.739 -17.622 7.341 212 2HD2 LEU 44 2HD2 LEU 44 3.460 -17.763 6.979 213 3HD2 LEU 44 3HD2 LEU 44 2.893 -17.915 8.643 214 H LEU 45 H LEU 45 -0.030 -19.158 3.490 215 HA LEU 45 HA LEU 45 0.369 -21.681 2.137 216 1HB LEU 45 2HB LEU 45 -1.813 -19.641 2.213 217 2HB LEU 45 1HB LEU 45 -1.783 -20.819 0.915 218 HG LEU 45 HG LEU 45 -1.978 -21.405 3.870 219 1HD1 LEU 45 1HD1 LEU 45 -3.958 -22.088 1.719 220 2HD1 LEU 45 2HD1 LEU 45 -4.006 -20.548 2.578 221 3HD1 LEU 45 3HD1 LEU 45 -4.188 -22.060 3.467 222 1HD2 LEU 45 1HD2 LEU 45 -1.629 -23.216 1.498 223 2HD2 LEU 45 2HD2 LEU 45 -2.335 -23.772 3.015 224 3HD2 LEU 45 3HD2 LEU 45 -0.682 -23.157 2.985 225 H GLU 46 H GLU 46 1.491 -18.595 1.635 226 HA GLU 46 HA GLU 46 2.249 -19.229 -1.086 227 1HB GLU 46 2HB GLU 46 0.996 -16.538 -0.671 228 2HB GLU 46 1HB GLU 46 1.260 -17.419 -2.169 229 1HG GLU 46 2HG GLU 46 -0.493 -19.025 -1.475 230 2HG GLU 46 1HG GLU 46 -0.805 -18.017 -0.062 231 H LYS 47 H LYS 47 3.528 -18.813 1.535 232 HA LYS 47 HA LYS 47 5.091 -17.450 2.604 233 1HB LYS 47 2HB LYS 47 6.033 -18.740 0.167 234 2HB LYS 47 1HB LYS 47 7.037 -17.373 0.631 235 1HG LYS 47 2HG LYS 47 6.635 -18.726 3.006 236 2HG LYS 47 1HG LYS 47 6.826 -20.010 1.810 237 1HD LYS 47 2HD LYS 47 9.002 -19.528 1.457 238 2HD LYS 47 1HD LYS 47 8.739 -17.787 1.577 239 1HE LYS 47 2HE LYS 47 8.643 -17.953 4.003 240 2HE LYS 47 1HE LYS 47 8.848 -19.701 3.906 241 1HZ LYS 47 1HZ LYS 47 10.815 -17.574 3.506 242 2HZ LYS 47 2HZ LYS 47 10.984 -18.981 2.580 243 3HZ LYS 47 3HZ LYS 47 10.986 -19.077 4.269 244 H GLY 48 H GLY 48 4.240 -15.379 2.841 245 1HA GLY 48 2HA GLY 48 5.638 -13.253 1.786 246 2HA GLY 48 1HA GLY 48 4.254 -13.461 0.725 247 H VAL 49 H VAL 49 3.452 -11.417 1.328 248 HA VAL 49 HA VAL 49 1.930 -11.482 3.817 249 HB VAL 49 HB VAL 49 3.568 -9.055 3.099 250 1HG1 VAL 49 1HG1 VAL 49 2.664 -9.428 5.850 251 2HG1 VAL 49 2HG1 VAL 49 1.350 -9.281 4.683 252 3HG1 VAL 49 3HG1 VAL 49 2.568 -8.012 4.803 253 1HG2 VAL 49 1HG2 VAL 49 5.087 -9.633 4.883 254 2HG2 VAL 49 2HG2 VAL 49 5.031 -10.947 3.710 255 3HG2 VAL 49 3HG2 VAL 49 4.164 -11.093 5.239 256 H TYR 50 H TYR 50 -0.033 -10.477 3.670 257 HA TYR 50 HA TYR 50 -0.561 -8.823 1.310 258 1HB TYR 50 2HB TYR 50 -2.846 -10.507 1.935 259 2HB TYR 50 1HB TYR 50 -2.056 -10.219 0.390 260 HD1 TYR 50 1HD TYR 50 0.322 -11.454 0.192 261 HD2 TYR 50 2HD TYR 50 -2.883 -12.673 2.706 262 HE1 TYR 50 1HE TYR 50 1.228 -13.736 0.226 263 HE2 TYR 50 2HE TYR 50 -1.987 -14.961 2.748 264 HH TYR 50 HH TYR 50 -0.485 -16.380 1.181 265 H VAL 51 H VAL 51 -2.451 -7.476 1.483 266 HA VAL 51 HA VAL 51 -2.722 -6.301 4.050 267 HB VAL 51 HB VAL 51 -4.387 -5.896 1.558 268 1HG1 VAL 51 1HG1 VAL 51 -4.358 -4.501 4.206 269 2HG1 VAL 51 2HG1 VAL 51 -5.734 -5.047 3.247 270 3HG1 VAL 51 3HG1 VAL 51 -4.808 -3.634 2.736 271 1HG2 VAL 51 1HG2 VAL 51 -2.995 -3.747 1.500 272 2HG2 VAL 51 2HG2 VAL 51 -2.205 -5.249 1.021 273 3HG2 VAL 51 3HG2 VAL 51 -1.914 -4.573 2.623 274 H LYS 52 H LYS 52 -3.888 -7.040 5.683 275 HA LYS 52 HA LYS 52 -5.975 -8.992 5.228 276 1HB LYS 52 2HB LYS 52 -4.559 -9.580 7.007 277 2HB LYS 52 1HB LYS 52 -4.556 -7.950 7.659 278 1HG LYS 52 2HG LYS 52 -6.249 -8.418 9.005 279 2HG LYS 52 1HG LYS 52 -7.226 -9.013 7.664 280 1HD LYS 52 2HD LYS 52 -5.801 -11.149 7.850 281 2HD LYS 52 1HD LYS 52 -5.334 -10.525 9.434 282 1HE LYS 52 2HE LYS 52 -7.270 -11.152 10.334 283 2HE LYS 52 1HE LYS 52 -8.191 -10.365 9.053 284 1HZ LYS 52 1HZ LYS 52 -7.419 -13.147 9.338 285 2HZ LYS 52 2HZ LYS 52 -7.296 -12.519 7.773 286 3HZ LYS 52 3HZ LYS 52 -8.776 -12.469 8.590 287 H ASN 53 H ASN 53 -5.652 -5.669 6.159 288 HA ASN 53 HA ASN 53 -8.483 -5.251 5.776 289 1HB ASN 53 2HB ASN 53 -7.218 -4.839 8.488 290 2HB ASN 53 1HB ASN 53 -8.760 -4.131 8.017 291 1HD2 ASN 53 1HD2 ASN 53 -7.246 -6.764 9.389 292 2HD2 ASN 53 2HD2 ASN 53 -8.573 -7.880 9.362 293 H ILE 54 H ILE 54 -9.045 -3.108 5.412 294 HA ILE 54 HA ILE 54 -6.815 -1.187 5.330 295 HB ILE 54 HB ILE 54 -9.036 -1.398 3.298 296 1HG1 ILE 54 2HG1 ILE 54 -6.373 -2.656 3.489 297 2HG1 ILE 54 1HG1 ILE 54 -7.799 -3.169 2.599 298 1HG2 ILE 54 1HG2 ILE 54 -7.977 0.872 3.809 299 2HG2 ILE 54 2HG2 ILE 54 -8.009 0.350 2.125 300 3HG2 ILE 54 3HG2 ILE 54 -6.519 0.221 3.060 301 1HD1 ILE 54 1HD1 ILE 54 -5.683 -1.218 1.760 302 2HD1 ILE 54 2HD1 ILE 54 -7.241 -1.332 0.942 303 3HD1 ILE 54 3HD1 ILE 54 -6.163 -2.727 0.983 304 H ARG 55 H ARG 55 -7.176 0.622 6.429 305 HA ARG 55 HA ARG 55 -9.576 1.085 7.835 306 1HB ARG 55 2HB ARG 55 -7.253 1.869 8.468 307 2HB ARG 55 1HB ARG 55 -7.437 3.135 7.261 308 1HG ARG 55 2HG ARG 55 -9.120 4.205 8.466 309 2HG ARG 55 1HG ARG 55 -9.445 2.781 9.455 310 1HD ARG 55 2HD ARG 55 -7.130 3.046 10.403 311 2HD ARG 55 1HD ARG 55 -7.044 4.596 9.568 312 HE ARG 55 HE ARG 55 -8.428 5.495 11.156 313 1HH1 ARG 55 1HH1 ARG 55 -8.518 2.016 11.411 314 2HH1 ARG 55 2HH1 ARG 55 -9.419 2.023 12.889 315 1HH2 ARG 55 1HH2 ARG 55 -9.614 5.505 13.101 316 2HH2 ARG 55 2HH2 ARG 55 -10.043 4.003 13.848 317 HA PRO 56 HA PRO 56 -11.844 2.814 4.327 318 1HB PRO 56 2HB PRO 56 -13.784 3.406 6.492 319 2HB PRO 56 1HB PRO 56 -14.030 2.561 4.961 320 1HG PRO 56 2HG PRO 56 -13.950 1.221 7.265 321 2HG PRO 56 1HG PRO 56 -13.228 0.551 5.789 322 1HD PRO 56 2HD PRO 56 -11.896 1.846 8.135 323 2HD PRO 56 1HD PRO 56 -11.379 0.443 7.177 324 H ALA 57 H ALA 57 -11.420 4.774 3.574 325 HA ALA 57 HA ALA 57 -11.430 7.063 3.408 326 1HB ALA 57 1HB ALA 57 -13.185 6.749 5.441 327 2HB ALA 57 2HB ALA 57 -12.669 8.314 4.810 328 3HB ALA 57 3HB ALA 57 -11.903 7.648 6.252 329 H GLY 58 H GLY 58 -9.176 6.764 3.040 330 1HA GLY 58 2HA GLY 58 -7.487 8.404 4.458 331 2HA GLY 58 1HA GLY 58 -7.296 6.819 5.195 332 HA PRO 59 HA PRO 59 -4.110 7.063 1.857 333 1HB PRO 59 2HB PRO 59 -2.958 4.942 3.579 334 2HB PRO 59 1HB PRO 59 -2.193 6.385 2.907 335 1HG PRO 59 2HG PRO 59 -2.801 6.234 5.502 336 2HG PRO 59 1HG PRO 59 -2.977 7.753 4.603 337 1HD PRO 59 2HD PRO 59 -5.075 5.797 5.453 338 2HD PRO 59 1HD PRO 59 -5.130 7.572 5.431 339 H GLY 60 H GLY 60 -5.535 4.230 3.436 340 1HA GLY 60 2HA GLY 60 -4.914 2.399 1.350 341 2HA GLY 60 1HA GLY 60 -6.084 2.146 2.633 342 H ASP 61 H ASP 61 -7.905 4.136 2.180 343 HA ASP 61 HA ASP 61 -9.342 3.080 -0.051 344 1HB ASP 61 2HB ASP 61 -9.996 4.461 2.291 345 2HB ASP 61 1HB ASP 61 -10.424 5.566 0.988 346 H LEU 62 H LEU 62 -7.442 5.937 0.588 347 HA LEU 62 HA LEU 62 -8.253 7.383 -1.717 348 1HB LEU 62 2HB LEU 62 -5.922 7.619 0.161 349 2HB LEU 62 1HB LEU 62 -6.070 8.653 -1.246 350 HG LEU 62 HG LEU 62 -8.153 8.467 0.929 351 1HD1 LEU 62 1HD1 LEU 62 -5.699 9.493 1.320 352 2HD1 LEU 62 2HD1 LEU 62 -7.157 10.125 2.084 353 3HD1 LEU 62 3HD1 LEU 62 -6.514 10.897 0.634 354 1HD2 LEU 62 1HD2 LEU 62 -9.307 9.316 -0.849 355 2HD2 LEU 62 2HD2 LEU 62 -7.869 10.012 -1.594 356 3HD2 LEU 62 3HD2 LEU 62 -8.615 10.805 -0.206 357 H GLY 63 H GLY 63 -5.805 4.982 -1.070 358 1HA GLY 63 2HA GLY 63 -4.390 5.434 -3.545 359 2HA GLY 63 1HA GLY 63 -4.107 4.131 -2.402 360 H GLY 64 H GLY 64 -6.761 3.103 -2.342 361 1HA GLY 64 2HA GLY 64 -8.374 2.119 -3.806 362 2HA GLY 64 1HA GLY 64 -7.226 2.288 -5.127 363 H LEU 65 H LEU 65 -6.285 1.041 -2.005 364 HA LEU 65 HA LEU 65 -5.360 -1.397 -3.213 365 1HB LEU 65 2HB LEU 65 -5.436 -0.579 -0.310 366 2HB LEU 65 1HB LEU 65 -4.566 -1.955 -0.961 367 HG LEU 65 HG LEU 65 -3.707 0.339 -2.395 368 1HD1 LEU 65 1HD1 LEU 65 -4.603 1.616 -0.467 369 2HD1 LEU 65 2HD1 LEU 65 -2.859 1.773 -0.676 370 3HD1 LEU 65 3HD1 LEU 65 -3.504 0.721 0.583 371 1HD2 LEU 65 1HD2 LEU 65 -1.538 -0.242 -1.384 372 2HD2 LEU 65 2HD2 LEU 65 -2.376 -1.648 -2.038 373 3HD2 LEU 65 3HD2 LEU 65 -2.363 -1.359 -0.298 374 H LYS 66 H LYS 66 -6.311 -3.339 -3.233 375 HA LYS 66 HA LYS 66 -8.957 -3.568 -2.000 376 1HB LYS 66 2HB LYS 66 -7.621 -4.766 -4.354 377 2HB LYS 66 1HB LYS 66 -8.735 -5.812 -3.485 378 1HG LYS 66 2HG LYS 66 -10.210 -4.893 -4.923 379 2HG LYS 66 1HG LYS 66 -10.273 -3.644 -3.678 380 1HD LYS 66 2HD LYS 66 -9.065 -2.148 -4.928 381 2HD LYS 66 1HD LYS 66 -8.216 -3.413 -5.817 382 1HE LYS 66 2HE LYS 66 -9.911 -3.679 -7.332 383 2HE LYS 66 1HE LYS 66 -11.153 -3.149 -6.197 384 1HZ LYS 66 1HZ LYS 66 -10.260 -1.647 -8.194 385 2HZ LYS 66 2HZ LYS 66 -9.197 -1.145 -6.977 386 3HZ LYS 66 3HZ LYS 66 -10.867 -1.001 -6.753 387 HA PRO 67 HA PRO 67 -7.851 -6.518 1.071 388 1HB PRO 67 2HB PRO 67 -9.611 -8.587 0.663 389 2HB PRO 67 1HB PRO 67 -10.033 -7.072 1.468 390 1HG PRO 67 2HG PRO 67 -10.505 -7.908 -1.366 391 2HG PRO 67 1HG PRO 67 -11.585 -7.041 -0.258 392 1HD PRO 67 2HD PRO 67 -10.212 -5.762 -2.180 393 2HD PRO 67 1HD PRO 67 -10.513 -5.017 -0.598 394 H TYR 68 H TYR 68 -6.362 -8.082 1.334 395 HA TYR 68 HA TYR 68 -5.091 -9.949 0.948 396 1HB TYR 68 2HB TYR 68 -7.261 -10.460 -0.733 397 2HB TYR 68 1HB TYR 68 -5.850 -10.607 -1.775 398 HD1 TYR 68 1HD TYR 68 -7.935 -12.284 0.507 399 HD2 TYR 68 2HD TYR 68 -3.891 -12.058 -0.789 400 HE1 TYR 68 1HE TYR 68 -7.529 -14.534 1.406 401 HE2 TYR 68 2HE TYR 68 -3.472 -14.309 0.105 402 HH TYR 68 HH TYR 68 -4.558 -15.777 1.979 403 H ASP 69 H ASP 69 -4.887 -7.085 -0.305 404 HA ASP 69 HA ASP 69 -3.330 -7.124 -2.581 405 1HB ASP 69 2HB ASP 69 -3.700 -5.242 -0.318 406 2HB ASP 69 1HB ASP 69 -2.269 -5.002 -1.315 407 H ARG 70 H ARG 70 -1.909 -8.866 -2.522 408 HA ARG 70 HA ARG 70 0.042 -9.196 -0.465 409 1HB ARG 70 2HB ARG 70 -0.694 -11.106 -1.722 410 2HB ARG 70 1HB ARG 70 -0.225 -10.350 -3.236 411 1HG ARG 70 2HG ARG 70 2.088 -10.574 -2.733 412 2HG ARG 70 1HG ARG 70 1.740 -11.064 -1.074 413 1HD ARG 70 2HD ARG 70 1.345 -13.195 -1.664 414 2HD ARG 70 1HD ARG 70 0.441 -12.725 -3.102 415 HE ARG 70 HE ARG 70 2.376 -12.867 -4.348 416 1HH1 ARG 70 1HH1 ARG 70 3.136 -13.164 -0.954 417 2HH1 ARG 70 2HH1 ARG 70 4.756 -13.702 -1.236 418 1HH2 ARG 70 1HH2 ARG 70 4.507 -13.573 -4.719 419 2HH2 ARG 70 2HH2 ARG 70 5.536 -13.933 -3.374 420 H LEU 71 H LEU 71 1.235 -7.330 -0.234 421 HA LEU 71 HA LEU 71 2.238 -5.669 -2.185 422 1HB LEU 71 2HB LEU 71 3.808 -6.371 0.281 423 2HB LEU 71 1HB LEU 71 3.769 -4.844 -0.579 424 HG LEU 71 HG LEU 71 1.651 -6.011 1.211 425 1HD1 LEU 71 1HD1 LEU 71 2.359 -4.548 2.727 426 2HD1 LEU 71 2HD1 LEU 71 2.414 -3.235 1.552 427 3HD1 LEU 71 3HD1 LEU 71 3.785 -4.334 1.711 428 1HD2 LEU 71 1HD2 LEU 71 0.731 -3.539 0.453 429 2HD2 LEU 71 2HD2 LEU 71 0.126 -5.086 -0.136 430 3HD2 LEU 71 3HD2 LEU 71 1.344 -4.209 -1.057 431 H LEU 72 H LEU 72 3.280 -6.302 -3.955 432 HA LEU 72 HA LEU 72 5.121 -8.523 -3.905 433 1HB LEU 72 2HB LEU 72 4.655 -6.658 -6.219 434 2HB LEU 72 1HB LEU 72 5.214 -8.319 -6.262 435 HG LEU 72 HG LEU 72 2.435 -7.504 -5.412 436 1HD1 LEU 72 1HD1 LEU 72 1.694 -7.663 -7.532 437 2HD1 LEU 72 2HD1 LEU 72 2.856 -8.919 -7.959 438 3HD1 LEU 72 3HD1 LEU 72 3.359 -7.229 -7.925 439 1HD2 LEU 72 1HD2 LEU 72 3.442 -10.212 -6.243 440 2HD2 LEU 72 2HD2 LEU 72 1.903 -9.803 -5.485 441 3HD2 LEU 72 3HD2 LEU 72 3.400 -9.676 -4.564 442 H GLN 73 H GLN 73 5.455 -5.180 -5.107 443 HA GLN 73 HA GLN 73 8.146 -5.096 -3.927 444 1HB GLN 73 2HB GLN 73 7.522 -4.004 -6.671 445 2HB GLN 73 1HB GLN 73 9.098 -4.146 -5.904 446 1HG GLN 73 2HG GLN 73 9.135 -6.478 -6.166 447 2HG GLN 73 1HG GLN 73 7.412 -6.546 -6.531 448 1HE2 GLN 73 1HE2 GLN 73 10.270 -4.820 -7.747 449 2HE2 GLN 73 2HE2 GLN 73 9.953 -5.131 -9.423 450 H VAL 74 H VAL 74 8.726 -3.169 -3.038 451 HA VAL 74 HA VAL 74 6.692 -1.038 -3.114 452 HB VAL 74 HB VAL 74 8.803 -1.413 -0.990 453 1HG1 VAL 74 1HG1 VAL 74 6.357 0.311 -1.253 454 2HG1 VAL 74 2HG1 VAL 74 8.024 0.804 -0.954 455 3HG1 VAL 74 3HG1 VAL 74 7.109 -0.023 0.306 456 1HG2 VAL 74 1HG2 VAL 74 7.044 -2.394 0.406 457 2HG2 VAL 74 2HG2 VAL 74 7.363 -3.379 -1.021 458 3HG2 VAL 74 3HG2 VAL 74 5.933 -2.347 -0.963 459 H ASN 75 H ASN 75 7.280 0.442 -4.573 460 HA ASN 75 HA ASN 75 8.437 2.196 -5.463 461 1HB ASN 75 2HB ASN 75 9.672 1.875 -2.932 462 2HB ASN 75 1HB ASN 75 10.966 2.071 -4.110 463 1HD2 ASN 75 1HD2 ASN 75 9.180 3.712 -2.012 464 2HD2 ASN 75 2HD2 ASN 75 9.108 5.261 -2.785 465 H HIS 76 H HIS 76 10.782 -0.312 -4.578 466 HA HIS 76 HA HIS 76 11.176 -1.146 -7.266 467 1HB HIS 76 2HB HIS 76 12.710 1.090 -6.401 468 2HB HIS 76 1HB HIS 76 13.801 -0.283 -6.546 469 HD1 HIS 76 1HD HIS 76 13.699 -1.532 -8.961 470 HD2 HIS 76 2HD HIS 76 12.124 2.309 -8.759 471 HE1 HIS 76 1HE HIS 76 13.575 -0.729 -11.341 472 HE2 HIS 76 2HE HIS 76 12.701 1.628 -11.186 473 H VAL 77 H VAL 77 11.593 -1.446 -3.925 474 HA VAL 77 HA VAL 77 13.575 -3.553 -4.043 475 HB VAL 77 HB VAL 77 13.523 -2.009 -2.125 476 1HG1 VAL 77 1HG1 VAL 77 10.825 -2.230 -2.226 477 2HG1 VAL 77 2HG1 VAL 77 11.723 -1.610 -0.840 478 3HG1 VAL 77 3HG1 VAL 77 11.200 -3.294 -0.870 479 1HG2 VAL 77 1HG2 VAL 77 14.284 -3.591 -0.711 480 2HG2 VAL 77 2HG2 VAL 77 14.024 -4.664 -2.087 481 3HG2 VAL 77 3HG2 VAL 77 12.805 -4.546 -0.817 482 H ARG 78 H ARG 78 13.145 -5.641 -4.319 483 HA ARG 78 HA ARG 78 10.484 -6.576 -4.690 484 1HB ARG 78 2HB ARG 78 13.206 -7.742 -4.803 485 2HB ARG 78 1HB ARG 78 11.894 -8.868 -4.486 486 1HG ARG 78 2HG ARG 78 10.936 -8.548 -6.549 487 2HG ARG 78 1HG ARG 78 11.645 -6.943 -6.747 488 1HD ARG 78 2HD ARG 78 13.888 -8.077 -6.906 489 2HD ARG 78 1HD ARG 78 13.023 -9.612 -6.977 490 HE ARG 78 HE ARG 78 13.326 -7.703 -9.086 491 1HH1 ARG 78 1HH1 ARG 78 11.233 -10.187 -7.810 492 2HH1 ARG 78 2HH1 ARG 78 10.510 -10.540 -9.342 493 1HH2 ARG 78 1HH2 ARG 78 12.375 -8.167 -11.103 494 2HH2 ARG 78 2HH2 ARG 78 11.158 -9.393 -11.214 495 H THR 79 H THR 79 9.076 -7.249 -3.212 496 HA THR 79 HA THR 79 10.048 -8.470 -0.742 497 HB THR 79 HB THR 79 8.804 -7.055 0.700 498 HG1 THR 79 1HG THR 79 7.207 -5.805 0.055 499 1HG2 THR 79 1HG2 THR 79 10.183 -5.382 -1.378 500 2HG2 THR 79 2HG2 THR 79 10.831 -5.957 0.157 501 3HG2 THR 79 3HG2 THR 79 9.553 -4.741 0.141 502 H ARG 80 H ARG 80 8.736 -9.528 -3.094 503 HA ARG 80 HA ARG 80 5.976 -9.938 -2.626 504 1HB ARG 80 2HB ARG 80 8.048 -11.120 -4.392 505 2HB ARG 80 1HB ARG 80 6.620 -12.100 -4.090 506 1HG ARG 80 2HG ARG 80 5.183 -10.418 -4.984 507 2HG ARG 80 1HG ARG 80 6.514 -9.264 -5.087 508 1HD ARG 80 2HD ARG 80 6.109 -10.133 -7.280 509 2HD ARG 80 1HD ARG 80 7.633 -10.799 -6.699 510 HE ARG 80 HE ARG 80 5.653 -12.622 -6.038 511 1HH1 ARG 80 1HH1 ARG 80 7.027 -11.247 -8.935 512 2HH1 ARG 80 2HH1 ARG 80 6.706 -12.648 -9.902 513 1HH2 ARG 80 1HH2 ARG 80 5.228 -14.464 -7.307 514 2HH2 ARG 80 2HH2 ARG 80 5.684 -14.474 -8.978 515 H ASP 81 H ASP 81 8.796 -12.031 -2.034 516 HA ASP 81 HA ASP 81 7.149 -13.781 -0.375 517 1HB ASP 81 2HB ASP 81 9.725 -14.034 -1.806 518 2HB ASP 81 1HB ASP 81 9.620 -14.895 -0.274 519 H PHE 82 H PHE 82 7.832 -11.075 0.521 520 HA PHE 82 HA PHE 82 9.833 -11.366 2.571 521 1HB PHE 82 2HB PHE 82 8.169 -9.193 1.472 522 2HB PHE 82 1HB PHE 82 8.506 -9.059 3.194 523 HD1 PHE 82 1HD PHE 82 10.844 -10.600 0.813 524 HD2 PHE 82 2HD PHE 82 9.848 -7.101 3.018 525 HE1 PHE 82 1HE PHE 82 13.056 -9.654 0.303 526 HE2 PHE 82 2HE PHE 82 12.058 -6.147 2.513 527 HZ PHE 82 HZ PHE 82 13.666 -7.424 1.154 528 H ASP 83 H ASP 83 9.144 -10.525 4.844 529 HA ASP 83 HA ASP 83 6.787 -12.087 5.657 530 1HB ASP 83 2HB ASP 83 9.214 -11.296 7.288 531 2HB ASP 83 1HB ASP 83 7.854 -12.252 7.871 532 H CYS 84 H CYS 84 5.523 -11.235 7.464 533 HA CYS 84 HA CYS 84 4.605 -8.668 7.068 534 1HB CYS 84 2HB CYS 84 3.554 -8.871 9.321 535 2HB CYS 84 1HB CYS 84 3.296 -10.281 8.300 536 HG CYS 84 HG CYS 84 3.956 -11.042 10.716 537 H CYS 85 H CYS 85 7.061 -9.797 9.342 538 HA CYS 85 HA CYS 85 7.445 -7.372 10.684 539 1HB CYS 85 2HB CYS 85 8.370 -9.884 11.040 540 2HB CYS 85 1HB CYS 85 9.801 -9.127 10.349 541 HG CYS 85 HG CYS 85 9.171 -8.957 13.155 542 H LEU 86 H LEU 86 8.435 -8.445 7.568 543 HA LEU 86 HA LEU 86 10.494 -6.393 7.327 544 1HB LEU 86 2HB LEU 86 9.651 -8.763 5.728 545 2HB LEU 86 1HB LEU 86 10.444 -7.445 4.884 546 HG LEU 86 HG LEU 86 12.327 -7.654 6.569 547 1HD1 LEU 86 1HD1 LEU 86 12.521 -9.802 7.726 548 2HD1 LEU 86 2HD1 LEU 86 10.906 -10.243 7.172 549 3HD1 LEU 86 3HD1 LEU 86 11.118 -8.889 8.280 550 1HD2 LEU 86 1HD2 LEU 86 12.015 -8.760 4.167 551 2HD2 LEU 86 2HD2 LEU 86 12.136 -10.235 5.126 552 3HD2 LEU 86 3HD2 LEU 86 13.440 -9.047 5.164 553 H VAL 87 H VAL 87 7.263 -7.142 6.221 554 HA VAL 87 HA VAL 87 7.156 -5.026 4.296 555 HB VAL 87 HB VAL 87 4.915 -6.648 5.515 556 1HG1 VAL 87 1HG1 VAL 87 3.743 -4.917 4.601 557 2HG1 VAL 87 2HG1 VAL 87 3.933 -5.916 3.160 558 3HG1 VAL 87 3HG1 VAL 87 5.002 -4.538 3.425 559 1HG2 VAL 87 1HG2 VAL 87 6.312 -8.164 4.392 560 2HG2 VAL 87 2HG2 VAL 87 6.629 -7.034 3.078 561 3HG2 VAL 87 3HG2 VAL 87 5.040 -7.782 3.231 562 H VAL 88 H VAL 88 6.181 -5.452 7.661 563 HA VAL 88 HA VAL 88 4.564 -3.217 7.956 564 HB VAL 88 HB VAL 88 6.444 -4.456 9.971 565 1HG1 VAL 88 1HG1 VAL 88 6.057 -2.546 11.111 566 2HG1 VAL 88 2HG1 VAL 88 4.513 -3.317 11.469 567 3HG1 VAL 88 3HG1 VAL 88 4.629 -2.141 10.160 568 1HG2 VAL 88 1HG2 VAL 88 4.253 -5.568 8.820 569 2HG2 VAL 88 2HG2 VAL 88 3.538 -4.786 10.230 570 3HG2 VAL 88 3HG2 VAL 88 4.839 -5.959 10.437 571 HA PRO 89 HA PRO 89 8.526 -0.633 9.008 572 1HB PRO 89 2HB PRO 89 10.911 -1.638 8.186 573 2HB PRO 89 1HB PRO 89 10.237 -1.960 9.787 574 1HG PRO 89 2HG PRO 89 10.185 -3.672 7.330 575 2HG PRO 89 1HG PRO 89 10.516 -4.136 9.011 576 1HD PRO 89 2HD PRO 89 8.114 -4.544 7.853 577 2HD PRO 89 1HD PRO 89 8.282 -4.168 9.577 578 H LEU 90 H LEU 90 8.903 -2.655 6.088 579 HA LEU 90 HA LEU 90 10.016 -0.756 4.410 580 1HB LEU 90 2HB LEU 90 8.262 -3.135 3.925 581 2HB LEU 90 1HB LEU 90 8.724 -2.096 2.590 582 HG LEU 90 HG LEU 90 10.813 -3.272 4.393 583 1HD1 LEU 90 1HD1 LEU 90 9.021 -4.840 2.964 584 2HD1 LEU 90 2HD1 LEU 90 10.598 -5.330 3.584 585 3HD1 LEU 90 3HD1 LEU 90 10.447 -4.741 1.930 586 1HD2 LEU 90 1HD2 LEU 90 12.290 -2.581 2.829 587 2HD2 LEU 90 2HD2 LEU 90 11.007 -1.436 2.443 588 3HD2 LEU 90 3HD2 LEU 90 11.190 -2.907 1.488 589 H ILE 91 H ILE 91 6.712 -1.180 5.443 590 HA ILE 91 HA ILE 91 5.608 0.645 3.513 591 HB ILE 91 HB ILE 91 4.427 -0.566 6.017 592 1HG1 ILE 91 2HG1 ILE 91 3.684 -1.151 3.156 593 2HG1 ILE 91 1HG1 ILE 91 4.988 -2.016 3.968 594 1HG2 ILE 91 1HG2 ILE 91 2.791 0.929 5.898 595 2HG2 ILE 91 2HG2 ILE 91 2.375 0.299 4.305 596 3HG2 ILE 91 3HG2 ILE 91 3.499 1.649 4.453 597 1HD1 ILE 91 1HD1 ILE 91 3.552 -3.103 5.395 598 2HD1 ILE 91 2HD1 ILE 91 2.589 -3.004 3.922 599 3HD1 ILE 91 3HD1 ILE 91 2.298 -1.872 5.243 600 H ALA 92 H ALA 92 6.308 0.754 6.993 601 HA ALA 92 HA ALA 92 5.491 3.447 7.300 602 1HB ALA 92 1HB ALA 92 5.852 1.430 9.024 603 2HB ALA 92 2HB ALA 92 5.803 3.125 9.507 604 3HB ALA 92 3HB ALA 92 7.354 2.318 9.279 605 H GLU 93 H GLU 93 8.170 2.224 5.772 606 HA GLU 93 HA GLU 93 9.834 4.528 6.533 607 1HB GLU 93 2HB GLU 93 11.747 3.284 5.694 608 2HB GLU 93 1HB GLU 93 10.882 2.337 6.896 609 1HG GLU 93 2HG GLU 93 11.154 0.715 5.361 610 2HG GLU 93 1HG GLU 93 9.679 1.421 4.705 611 H SER 94 H SER 94 7.743 3.561 4.156 612 HA SER 94 HA SER 94 9.084 4.303 1.798 613 1HB SER 94 2HB SER 94 7.023 4.105 0.723 614 2HB SER 94 1HB SER 94 6.816 3.058 2.126 615 HG SER 94 HG SER 94 5.605 4.619 3.110 616 H GLY 95 H GLY 95 7.859 6.158 4.368 617 1HA GLY 95 2HA GLY 95 8.392 8.453 4.642 618 2HA GLY 95 1HA GLY 95 8.492 8.609 2.894 619 H ASN 96 H ASN 96 7.109 10.332 2.696 620 HA ASN 96 HA ASN 96 4.538 10.394 3.942 621 1HB ASN 96 2HB ASN 96 6.105 12.130 2.151 622 2HB ASN 96 1HB ASN 96 4.360 12.237 1.938 623 1HD2 ASN 96 1HD2 ASN 96 7.037 13.044 3.886 624 2HD2 ASN 96 2HD2 ASN 96 6.173 13.894 5.125 625 H LYS 97 H LYS 97 5.701 8.672 1.312 626 HA LYS 97 HA LYS 97 2.979 8.110 0.433 627 1HB LYS 97 2HB LYS 97 5.190 9.140 -1.319 628 2HB LYS 97 1HB LYS 97 3.932 8.108 -1.983 629 1HG LYS 97 2HG LYS 97 2.364 9.722 -1.881 630 2HG LYS 97 1HG LYS 97 3.010 10.412 -0.391 631 1HD LYS 97 2HD LYS 97 3.408 12.049 -2.022 632 2HD LYS 97 1HD LYS 97 4.960 11.232 -1.828 633 1HE LYS 97 2HE LYS 97 4.934 10.430 -3.926 634 2HE LYS 97 1HE LYS 97 3.217 10.034 -3.854 635 1HZ LYS 97 1HZ LYS 97 3.888 12.863 -3.975 636 2HZ LYS 97 2HZ LYS 97 2.630 12.015 -4.722 637 3HZ LYS 97 3HZ LYS 97 4.190 11.965 -5.376 638 H LEU 98 H LEU 98 2.695 6.043 -0.451 639 HA LEU 98 HA LEU 98 5.050 4.280 -0.293 640 1HB LEU 98 2HB LEU 98 2.946 4.195 1.447 641 2HB LEU 98 1HB LEU 98 2.437 3.034 0.241 642 HG LEU 98 HG LEU 98 4.778 2.913 2.106 643 1HD1 LEU 98 1HD1 LEU 98 3.924 0.697 2.528 644 2HD1 LEU 98 2HD1 LEU 98 2.732 0.875 1.241 645 3HD1 LEU 98 3HD1 LEU 98 2.621 1.875 2.690 646 1HD2 LEU 98 1HD2 LEU 98 6.063 2.303 0.343 647 2HD2 LEU 98 2HD2 LEU 98 4.678 1.900 -0.668 648 3HD2 LEU 98 3HD2 LEU 98 5.233 0.764 0.560 649 H ASP 99 H ASP 99 5.469 4.093 -2.443 650 HA ASP 99 HA ASP 99 3.293 3.355 -4.257 651 1HB ASP 99 2HB ASP 99 6.191 3.806 -4.989 652 2HB ASP 99 1HB ASP 99 4.789 3.841 -6.054 653 H LEU 100 H LEU 100 2.881 1.259 -4.578 654 HA LEU 100 HA LEU 100 5.095 -0.627 -4.752 655 1HB LEU 100 2HB LEU 100 3.877 -2.188 -3.179 656 2HB LEU 100 1HB LEU 100 4.693 -0.818 -2.450 657 HG LEU 100 HG LEU 100 1.834 -0.440 -3.120 658 1HD1 LEU 100 1HD1 LEU 100 2.635 -2.037 -0.700 659 2HD1 LEU 100 2HD1 LEU 100 2.006 -2.761 -2.179 660 3HD1 LEU 100 3HD1 LEU 100 1.006 -1.643 -1.253 661 1HD2 LEU 100 1HD2 LEU 100 3.347 0.196 -0.601 662 2HD2 LEU 100 2HD2 LEU 100 1.849 0.917 -1.188 663 3HD2 LEU 100 3HD2 LEU 100 3.369 1.241 -2.020 664 H VAL 101 H VAL 101 4.302 -2.859 -5.272 665 HA VAL 101 HA VAL 101 1.935 -2.753 -7.035 666 HB VAL 101 HB VAL 101 4.368 -4.504 -7.420 667 1HG1 VAL 101 1HG1 VAL 101 3.338 -5.397 -9.217 668 2HG1 VAL 101 2HG1 VAL 101 2.539 -3.883 -9.646 669 3HG1 VAL 101 3HG1 VAL 101 1.875 -4.899 -8.367 670 1HG2 VAL 101 1HG2 VAL 101 4.773 -2.009 -7.681 671 2HG2 VAL 101 2HG2 VAL 101 3.672 -2.080 -9.058 672 3HG2 VAL 101 3HG2 VAL 101 5.164 -3.021 -9.073 673 H ILE 102 H ILE 102 0.348 -3.817 -6.010 674 HA ILE 102 HA ILE 102 1.029 -6.175 -4.388 675 HB ILE 102 HB ILE 102 -1.140 -5.932 -3.355 676 1HG1 ILE 102 2HG1 ILE 102 -2.399 -3.705 -4.129 677 2HG1 ILE 102 1HG1 ILE 102 -1.596 -4.084 -5.651 678 1HG2 ILE 102 1HG2 ILE 102 -0.548 -4.220 -2.017 679 2HG2 ILE 102 2HG2 ILE 102 -0.391 -3.086 -3.359 680 3HG2 ILE 102 3HG2 ILE 102 0.916 -4.215 -3.000 681 1HD1 ILE 102 1HD1 ILE 102 -2.948 -6.358 -4.401 682 2HD1 ILE 102 2HD1 ILE 102 -2.953 -5.805 -6.075 683 3HD1 ILE 102 3HD1 ILE 102 -4.013 -5.042 -4.894 684 H SER 103 H SER 103 -0.241 -8.098 -4.555 685 HA SER 103 HA SER 103 -1.713 -8.410 -7.083 686 1HB SER 103 2HB SER 103 0.699 -9.388 -7.031 687 2HB SER 103 1HB SER 103 -0.005 -10.635 -6.002 688 HG SER 103 HG SER 103 0.012 -10.685 -8.553 689 H ARG 104 H ARG 104 -3.704 -9.222 -6.792 690 HA ARG 104 HA ARG 104 -4.195 -11.108 -4.634 691 1HB ARG 104 2HB ARG 104 -6.163 -9.763 -3.830 692 2HB ARG 104 1HB ARG 104 -4.586 -9.086 -3.444 693 1HG ARG 104 2HG ARG 104 -4.984 -7.225 -4.598 694 2HG ARG 104 1HG ARG 104 -5.628 -8.117 -5.979 695 1HD ARG 104 2HD ARG 104 -7.601 -8.430 -4.105 696 2HD ARG 104 1HD ARG 104 -7.021 -6.800 -3.771 697 HE ARG 104 HE ARG 104 -7.852 -6.104 -5.806 698 1HH1 ARG 104 1HH1 ARG 104 -8.018 -9.586 -5.599 699 2HH1 ARG 104 2HH1 ARG 104 -9.020 -9.744 -7.002 700 1HH2 ARG 104 1HH2 ARG 104 -9.168 -6.315 -7.650 701 2HH2 ARG 104 2HH2 ARG 104 -9.672 -7.889 -8.166 702 H ASN 105 H ASN 105 -5.502 -12.660 -5.304 703 HA ASN 105 HA ASN 105 -6.769 -12.542 -7.859 704 1HB ASN 105 2HB ASN 105 -7.650 -14.810 -7.190 705 2HB ASN 105 1HB ASN 105 -5.896 -14.655 -7.150 706 1HD2 ASN 105 1HD2 ASN 105 -8.772 -14.441 -5.109 707 2HD2 ASN 105 2HD2 ASN 105 -8.006 -15.026 -3.669 708 HA PRO 106 HA PRO 106 -10.663 -10.928 -6.453 709 1HB PRO 106 2HB PRO 106 -12.184 -11.468 -8.607 710 2HB PRO 106 1HB PRO 106 -10.927 -10.224 -8.634 711 1HG PRO 106 2HG PRO 106 -10.844 -13.026 -9.680 712 2HG PRO 106 1HG PRO 106 -10.230 -11.535 -10.419 713 1HD PRO 106 2HD PRO 106 -8.653 -13.327 -9.092 714 2HD PRO 106 1HD PRO 106 -8.282 -11.597 -9.214 Start of MODEL 18 1 1H SER 16 1HT SER 16 -12.961 -17.458 -10.804 2 2H SER 16 2HT SER 16 -13.286 -16.474 -9.435 3 3H SER 16 3HT SER 16 -12.781 -18.101 -9.225 4 HA SER 16 HA SER 16 -11.253 -15.755 -10.043 5 1HB SER 16 2HB SER 16 -11.545 -17.041 -7.681 6 2HB SER 16 1HB SER 16 -10.190 -17.948 -8.351 7 HG SER 16 HG SER 16 -9.635 -16.032 -7.093 8 HA PRO 17 HA PRO 17 -9.941 -18.954 -13.140 9 1HB PRO 17 2HB PRO 17 -9.746 -16.689 -14.972 10 2HB PRO 17 1HB PRO 17 -10.708 -18.160 -15.118 11 1HG PRO 17 2HG PRO 17 -11.814 -15.727 -14.676 12 2HG PRO 17 1HG PRO 17 -12.530 -17.232 -14.075 13 1HD PRO 17 2HD PRO 17 -10.888 -15.196 -12.615 14 2HD PRO 17 1HD PRO 17 -12.333 -16.076 -12.074 15 H THR 18 H THR 18 -8.680 -15.683 -13.735 16 HA THR 18 HA THR 18 -6.016 -16.655 -13.924 17 HB THR 18 HB THR 18 -6.726 -13.752 -13.695 18 HG1 THR 18 1HG THR 18 -6.981 -15.298 -16.055 19 1HG2 THR 18 1HG2 THR 18 -4.590 -15.316 -15.068 20 2HG2 THR 18 2HG2 THR 18 -4.450 -13.915 -14.006 21 3HG2 THR 18 3HG2 THR 18 -5.050 -13.718 -15.653 22 HA PRO 19 HA PRO 19 -4.693 -16.359 -9.720 23 1HB PRO 19 2HB PRO 19 -2.161 -15.231 -10.774 24 2HB PRO 19 1HB PRO 19 -2.425 -16.663 -9.774 25 1HG PRO 19 2HG PRO 19 -1.789 -16.888 -12.356 26 2HG PRO 19 1HG PRO 19 -2.941 -18.001 -11.594 27 1HD PRO 19 2HD PRO 19 -3.463 -15.667 -13.390 28 2HD PRO 19 1HD PRO 19 -4.268 -17.250 -13.331 29 H VAL 20 H VAL 20 -2.873 -14.559 -8.663 30 HA VAL 20 HA VAL 20 -4.415 -12.381 -7.983 31 HB VAL 20 HB VAL 20 -2.348 -11.320 -7.156 32 1HG1 VAL 20 1HG1 VAL 20 -1.597 -13.303 -5.728 33 2HG1 VAL 20 2HG1 VAL 20 -2.809 -14.234 -6.609 34 3HG1 VAL 20 3HG1 VAL 20 -3.297 -12.837 -5.648 35 1HG2 VAL 20 1HG2 VAL 20 -0.991 -13.599 -8.593 36 2HG2 VAL 20 2HG2 VAL 20 -0.203 -12.542 -7.422 37 3HG2 VAL 20 3HG2 VAL 20 -0.821 -11.876 -8.932 38 H GLU 21 H GLU 21 -4.490 -10.219 -8.604 39 HA GLU 21 HA GLU 21 -3.449 -9.680 -11.305 40 1HB GLU 21 2HB GLU 21 -5.999 -9.096 -9.969 41 2HB GLU 21 1HB GLU 21 -5.320 -7.725 -10.836 42 1HG GLU 21 2HG GLU 21 -5.243 -10.206 -12.361 43 2HG GLU 21 1HG GLU 21 -6.874 -9.701 -11.918 44 H LEU 22 H LEU 22 -1.854 -8.260 -11.471 45 HA LEU 22 HA LEU 22 -0.759 -6.899 -9.278 46 1HB LEU 22 2HB LEU 22 -0.365 -6.787 -12.235 47 2HB LEU 22 1HB LEU 22 0.378 -5.557 -11.228 48 HG LEU 22 HG LEU 22 0.856 -8.530 -11.087 49 1HD1 LEU 22 1HD1 LEU 22 2.303 -6.215 -12.247 50 2HD1 LEU 22 2HD1 LEU 22 2.190 -7.880 -12.813 51 3HD1 LEU 22 3HD1 LEU 22 3.261 -7.476 -11.473 52 1HD2 LEU 22 1HD2 LEU 22 2.748 -7.396 -9.505 53 2HD2 LEU 22 2HD2 LEU 22 1.251 -8.116 -8.913 54 3HD2 LEU 22 3HD2 LEU 22 1.355 -6.372 -9.157 55 H HIS 23 H HIS 23 -0.792 -4.768 -8.643 56 HA HIS 23 HA HIS 23 -2.422 -2.843 -10.065 57 1HB HIS 23 2HB HIS 23 -3.116 -3.669 -7.239 58 2HB HIS 23 1HB HIS 23 -3.845 -2.331 -8.122 59 HD1 HIS 23 1HD HIS 23 -4.720 -3.423 -10.691 60 HD2 HIS 23 2HD HIS 23 -4.875 -5.704 -7.222 61 HE1 HIS 23 1HE HIS 23 -6.424 -5.217 -11.142 62 HE2 HIS 23 2HE HIS 23 -6.556 -6.539 -9.001 63 H LYS 24 H LYS 24 -1.048 -1.190 -10.178 64 HA LYS 24 HA LYS 24 0.977 -0.711 -8.219 65 1HB LYS 24 2HB LYS 24 0.677 -0.031 -10.841 66 2HB LYS 24 1HB LYS 24 0.285 1.492 -10.057 67 1HG LYS 24 2HG LYS 24 2.489 1.008 -8.720 68 2HG LYS 24 1HG LYS 24 2.854 -0.003 -10.120 69 1HD LYS 24 2HD LYS 24 2.024 2.222 -11.372 70 2HD LYS 24 1HD LYS 24 2.669 2.937 -9.893 71 1HE LYS 24 2HE LYS 24 4.522 2.920 -11.278 72 2HE LYS 24 1HE LYS 24 4.726 1.430 -10.359 73 1HZ LYS 24 1HZ LYS 24 4.147 1.804 -13.180 74 2HZ LYS 24 2HZ LYS 24 3.308 0.544 -12.425 75 3HZ LYS 24 3HZ LYS 24 4.998 0.566 -12.403 76 H VAL 25 H VAL 25 0.374 -0.057 -6.243 77 HA VAL 25 HA VAL 25 -1.683 2.035 -6.042 78 HB VAL 25 HB VAL 25 -1.138 1.008 -3.465 79 1HG1 VAL 25 1HG1 VAL 25 -3.400 1.098 -5.370 80 2HG1 VAL 25 2HG1 VAL 25 -3.278 1.702 -3.718 81 3HG1 VAL 25 3HG1 VAL 25 -3.534 -0.019 -4.011 82 1HG2 VAL 25 1HG2 VAL 25 -1.698 -1.371 -3.740 83 2HG2 VAL 25 2HG2 VAL 25 -0.147 -0.963 -4.477 84 3HG2 VAL 25 3HG2 VAL 25 -1.573 -1.186 -5.489 85 H THR 26 H THR 26 -1.318 3.893 -4.935 86 HA THR 26 HA THR 26 1.328 4.273 -3.717 87 HB THR 26 HB THR 26 -0.046 6.194 -5.610 88 HG1 THR 26 1HG THR 26 0.995 4.509 -6.691 89 1HG2 THR 26 1HG2 THR 26 2.550 7.035 -5.307 90 2HG2 THR 26 2HG2 THR 26 2.061 6.620 -3.663 91 3HG2 THR 26 3HG2 THR 26 1.121 7.784 -4.594 92 H LEU 27 H LEU 27 0.822 4.534 -1.619 93 HA LEU 27 HA LEU 27 -1.545 6.113 -0.914 94 1HB LEU 27 2HB LEU 27 0.151 4.532 0.997 95 2HB LEU 27 1HB LEU 27 -1.505 5.070 1.203 96 HG LEU 27 HG LEU 27 -1.791 3.470 -0.962 97 1HD1 LEU 27 1HD1 LEU 27 0.426 2.671 -1.099 98 2HD1 LEU 27 2HD1 LEU 27 -0.512 1.373 -0.362 99 3HD1 LEU 27 3HD1 LEU 27 0.514 2.397 0.641 100 1HD2 LEU 27 1HD2 LEU 27 -3.134 3.421 1.075 101 2HD2 LEU 27 2HD2 LEU 27 -1.826 2.600 1.925 102 3HD2 LEU 27 3HD2 LEU 27 -2.653 1.794 0.592 103 H TYR 28 H TYR 28 -1.198 7.239 1.341 104 HA TYR 28 HA TYR 28 1.375 8.638 1.412 105 1HB TYR 28 2HB TYR 28 -1.306 10.045 1.437 106 2HB TYR 28 1HB TYR 28 0.267 10.813 1.612 107 HD1 TYR 28 1HD TYR 28 -1.634 8.658 -0.773 108 HD2 TYR 28 2HD TYR 28 1.284 11.712 -0.262 109 HE1 TYR 28 1HE TYR 28 -1.506 8.936 -3.212 110 HE2 TYR 28 2HE TYR 28 1.420 11.999 -2.701 111 HH TYR 28 HH TYR 28 0.656 10.003 -4.833 112 H LYS 29 H LYS 29 2.105 8.991 3.442 113 HA LYS 29 HA LYS 29 0.400 8.093 5.638 114 1HB LYS 29 2HB LYS 29 3.083 7.688 5.055 115 2HB LYS 29 1HB LYS 29 3.115 8.865 6.362 116 1HG LYS 29 2HG LYS 29 1.316 7.120 7.344 117 2HG LYS 29 1HG LYS 29 2.318 6.034 6.382 118 1HD LYS 29 2HD LYS 29 3.654 5.971 8.182 119 2HD LYS 29 1HD LYS 29 4.191 7.568 7.659 120 1HE LYS 29 2HE LYS 29 3.361 8.491 9.500 121 2HE LYS 29 1HE LYS 29 1.763 7.834 9.146 122 1HZ LYS 29 1HZ LYS 29 3.005 5.672 10.087 123 2HZ LYS 29 2HZ LYS 29 2.113 6.733 11.056 124 3HZ LYS 29 3HZ LYS 29 3.798 6.874 10.976 125 H ASP 30 H ASP 30 0.474 9.275 7.698 126 HA ASP 30 HA ASP 30 0.718 12.184 7.295 127 1HB ASP 30 2HB ASP 30 -1.669 11.173 7.436 128 2HB ASP 30 1HB ASP 30 -1.319 10.983 9.151 129 H SER 31 H SER 31 1.900 13.251 8.754 130 HA SER 31 HA SER 31 3.483 11.906 10.630 131 1HB SER 31 2HB SER 31 4.055 14.186 11.468 132 2HB SER 31 1HB SER 31 4.183 14.040 9.716 133 HG SER 31 HG SER 31 2.212 15.345 11.251 134 H GLY 32 H GLY 32 2.045 10.641 11.888 135 1HA GLY 32 2HA GLY 32 1.539 11.222 14.409 136 2HA GLY 32 1HA GLY 32 0.202 12.072 13.651 137 H MET 33 H MET 33 0.405 9.703 11.577 138 HA MET 33 HA MET 33 -1.672 8.165 12.845 139 1HB MET 33 2HB MET 33 -0.698 8.599 10.159 140 2HB MET 33 1HB MET 33 -0.910 6.880 10.465 141 1HG MET 33 2HG MET 33 -2.921 7.765 9.522 142 2HG MET 33 1HG MET 33 -3.219 7.330 11.203 143 1HE MET 33 1HE MET 33 -4.842 10.164 9.129 144 2HE MET 33 2HE MET 33 -3.315 9.547 8.497 145 3HE MET 33 3HE MET 33 -3.431 11.216 9.055 146 H GLU 34 H GLU 34 -1.528 5.672 12.464 147 HA GLU 34 HA GLU 34 1.051 4.783 13.565 148 1HB GLU 34 2HB GLU 34 -1.540 4.496 14.595 149 2HB GLU 34 1HB GLU 34 -1.103 2.904 13.991 150 1HG GLU 34 2HG GLU 34 1.089 4.047 15.450 151 2HG GLU 34 1HG GLU 34 -0.380 4.073 16.425 152 H ASP 35 H ASP 35 -0.934 4.587 10.866 153 HA ASP 35 HA ASP 35 0.726 2.527 9.714 154 1HB ASP 35 2HB ASP 35 -2.114 2.046 10.463 155 2HB ASP 35 1HB ASP 35 -1.569 1.417 8.910 156 H PHE 36 H PHE 36 -0.403 1.994 7.397 157 HA PHE 36 HA PHE 36 -0.647 4.627 6.142 158 1HB PHE 36 2HB PHE 36 0.611 2.136 5.411 159 2HB PHE 36 1HB PHE 36 -0.501 2.648 4.146 160 HD1 PHE 36 1HD PHE 36 -0.241 4.952 3.169 161 HD2 PHE 36 2HD PHE 36 2.687 3.176 5.697 162 HE1 PHE 36 1HE PHE 36 1.438 6.552 2.346 163 HE2 PHE 36 2HE PHE 36 4.370 4.773 4.877 164 HZ PHE 36 HZ PHE 36 3.746 6.464 3.200 165 H GLY 37 H GLY 37 -2.883 3.437 7.554 166 1HA GLY 37 2HA GLY 37 -5.165 3.414 7.235 167 2HA GLY 37 1HA GLY 37 -4.885 3.834 5.553 168 H PHE 38 H PHE 38 -3.202 1.056 6.628 169 HA PHE 38 HA PHE 38 -5.203 -0.892 6.312 170 1HB PHE 38 2HB PHE 38 -5.026 -1.614 4.120 171 2HB PHE 38 1HB PHE 38 -4.922 0.128 3.934 172 HD1 PHE 38 1HD PHE 38 -3.045 -3.023 3.852 173 HD2 PHE 38 2HD PHE 38 -2.921 1.169 3.127 174 HE1 PHE 38 1HE PHE 38 -0.947 -3.306 2.603 175 HE2 PHE 38 2HE PHE 38 -0.819 0.892 1.875 176 HZ PHE 38 HZ PHE 38 0.168 -1.352 1.604 177 H SER 39 H SER 39 -4.471 -2.506 7.498 178 HA SER 39 HA SER 39 -1.593 -2.853 7.830 179 1HB SER 39 2HB SER 39 -4.010 -3.565 9.402 180 2HB SER 39 1HB SER 39 -2.638 -4.666 9.525 181 HG SER 39 HG SER 39 -1.842 -3.270 10.862 182 H VAL 40 H VAL 40 -0.547 -4.847 7.550 183 HA VAL 40 HA VAL 40 -1.909 -6.648 5.663 184 HB VAL 40 HB VAL 40 0.278 -7.294 4.851 185 1HG1 VAL 40 1HG1 VAL 40 0.230 -4.292 4.982 186 2HG1 VAL 40 2HG1 VAL 40 -0.902 -5.226 4.003 187 3HG1 VAL 40 3HG1 VAL 40 0.830 -5.320 3.680 188 1HG2 VAL 40 1HG2 VAL 40 1.790 -7.226 6.583 189 2HG2 VAL 40 2HG2 VAL 40 1.228 -5.656 7.155 190 3HG2 VAL 40 3HG2 VAL 40 2.226 -5.761 5.705 191 H ALA 41 H ALA 41 -1.077 -8.948 5.731 192 HA ALA 41 HA ALA 41 -0.594 -9.802 8.509 193 1HB ALA 41 1HB ALA 41 -2.919 -10.254 7.000 194 2HB ALA 41 2HB ALA 41 -2.490 -10.951 8.562 195 3HB ALA 41 3HB ALA 41 -2.067 -11.796 7.072 196 H ASP 42 H ASP 42 0.098 -12.192 8.552 197 HA ASP 42 HA ASP 42 2.340 -12.449 6.722 198 1HB ASP 42 2HB ASP 42 2.967 -14.372 8.208 199 2HB ASP 42 1HB ASP 42 2.843 -12.823 9.037 200 H GLY 43 H GLY 43 2.584 -13.989 5.183 201 1HA GLY 43 2HA GLY 43 0.232 -15.682 4.655 202 2HA GLY 43 1HA GLY 43 1.398 -15.158 3.449 203 H LEU 44 H LEU 44 0.406 -17.718 5.307 204 HA LEU 44 HA LEU 44 3.040 -18.951 5.482 205 1HB LEU 44 2HB LEU 44 1.294 -19.040 7.343 206 2HB LEU 44 1HB LEU 44 0.436 -20.185 6.329 207 HG LEU 44 HG LEU 44 2.850 -21.366 6.357 208 1HD1 LEU 44 1HD1 LEU 44 4.140 -20.943 8.156 209 2HD1 LEU 44 2HD1 LEU 44 2.763 -20.573 9.195 210 3HD1 LEU 44 3HD1 LEU 44 3.369 -19.359 8.069 211 1HD2 LEU 44 1HD2 LEU 44 1.834 -22.479 8.570 212 2HD2 LEU 44 2HD2 LEU 44 1.189 -22.780 6.957 213 3HD2 LEU 44 3HD2 LEU 44 0.412 -21.599 8.011 214 H LEU 45 H LEU 45 0.084 -19.166 3.709 215 HA LEU 45 HA LEU 45 0.804 -21.637 2.404 216 1HB LEU 45 2HB LEU 45 -1.584 -20.532 2.951 217 2HB LEU 45 1HB LEU 45 -1.368 -19.964 1.306 218 HG LEU 45 HG LEU 45 -0.822 -22.529 0.878 219 1HD1 LEU 45 1HD1 LEU 45 -0.996 -23.267 3.153 220 2HD1 LEU 45 2HD1 LEU 45 -2.356 -23.923 2.243 221 3HD1 LEU 45 3HD1 LEU 45 -2.594 -22.541 3.314 222 1HD2 LEU 45 1HD2 LEU 45 -2.795 -22.573 -0.216 223 2HD2 LEU 45 2HD2 LEU 45 -2.825 -20.865 0.220 224 3HD2 LEU 45 3HD2 LEU 45 -3.714 -22.040 1.190 225 H GLU 46 H GLU 46 0.233 -18.329 1.375 226 HA GLU 46 HA GLU 46 1.593 -18.819 -1.151 227 1HB GLU 46 2HB GLU 46 0.554 -16.131 -0.344 228 2HB GLU 46 1HB GLU 46 0.648 -16.853 -1.942 229 1HG GLU 46 2HG GLU 46 -1.224 -17.829 0.196 230 2HG GLU 46 1HG GLU 46 -1.657 -16.596 -0.985 231 H LYS 47 H LYS 47 2.916 -18.580 1.618 232 HA LYS 47 HA LYS 47 4.615 -17.385 2.657 233 1HB LYS 47 2HB LYS 47 5.384 -18.899 0.382 234 2HB LYS 47 1HB LYS 47 6.414 -17.476 0.444 235 1HG LYS 47 2HG LYS 47 6.172 -18.601 3.066 236 2HG LYS 47 1HG LYS 47 6.655 -19.851 1.918 237 1HD LYS 47 2HD LYS 47 8.692 -18.949 1.612 238 2HD LYS 47 1HD LYS 47 8.062 -17.301 1.583 239 1HE LYS 47 2HE LYS 47 7.734 -17.663 4.135 240 2HE LYS 47 1HE LYS 47 8.898 -18.971 3.921 241 1HZ LYS 47 1HZ LYS 47 10.524 -17.453 3.157 242 2HZ LYS 47 2HZ LYS 47 9.866 -16.774 4.559 243 3HZ LYS 47 3HZ LYS 47 9.409 -16.185 3.040 244 H GLY 48 H GLY 48 3.891 -15.265 2.893 245 1HA GLY 48 2HA GLY 48 5.448 -13.231 1.892 246 2HA GLY 48 1HA GLY 48 4.082 -13.335 0.792 247 H VAL 49 H VAL 49 3.161 -11.387 1.306 248 HA VAL 49 HA VAL 49 1.760 -11.302 3.863 249 HB VAL 49 HB VAL 49 3.383 -8.947 2.896 250 1HG1 VAL 49 1HG1 VAL 49 1.152 -9.014 4.531 251 2HG1 VAL 49 2HG1 VAL 49 2.325 -7.704 4.413 252 3HG1 VAL 49 3HG1 VAL 49 2.504 -8.937 5.660 253 1HG2 VAL 49 1HG2 VAL 49 4.603 -9.448 5.137 254 2HG2 VAL 49 2HG2 VAL 49 5.029 -10.360 3.690 255 3HG2 VAL 49 3HG2 VAL 49 3.973 -11.078 4.905 256 H TYR 50 H TYR 50 -0.204 -10.293 3.764 257 HA TYR 50 HA TYR 50 -0.896 -8.829 1.322 258 1HB TYR 50 2HB TYR 50 -3.092 -10.521 2.236 259 2HB TYR 50 1HB TYR 50 -2.458 -10.284 0.612 260 HD1 TYR 50 1HD TYR 50 -0.974 -11.864 -0.369 261 HD2 TYR 50 2HD TYR 50 -2.078 -12.239 3.720 262 HE1 TYR 50 1HE TYR 50 0.008 -14.115 -0.321 263 HE2 TYR 50 2HE TYR 50 -1.102 -14.492 3.782 264 HH TYR 50 HH TYR 50 0.992 -15.656 1.550 265 H VAL 51 H VAL 51 -2.893 -7.564 1.541 266 HA VAL 51 HA VAL 51 -2.933 -6.102 3.943 267 HB VAL 51 HB VAL 51 -5.059 -6.190 1.797 268 1HG1 VAL 51 1HG1 VAL 51 -4.851 -4.746 4.291 269 2HG1 VAL 51 2HG1 VAL 51 -6.200 -4.847 3.160 270 3HG1 VAL 51 3HG1 VAL 51 -4.933 -3.645 2.917 271 1HG2 VAL 51 1HG2 VAL 51 -2.812 -5.652 0.937 272 2HG2 VAL 51 2HG2 VAL 51 -2.710 -4.322 2.090 273 3HG2 VAL 51 3HG2 VAL 51 -3.926 -4.291 0.814 274 H LYS 52 H LYS 52 -3.867 -6.513 5.815 275 HA LYS 52 HA LYS 52 -5.703 -8.737 6.057 276 1HB LYS 52 2HB LYS 52 -3.925 -8.668 7.664 277 2HB LYS 52 1HB LYS 52 -4.298 -7.003 8.083 278 1HG LYS 52 2HG LYS 52 -5.491 -7.791 9.770 279 2HG LYS 52 1HG LYS 52 -6.653 -8.391 8.587 280 1HD LYS 52 2HD LYS 52 -5.381 -10.503 8.454 281 2HD LYS 52 1HD LYS 52 -4.285 -9.898 9.697 282 1HE LYS 52 2HE LYS 52 -5.683 -10.971 11.097 283 2HE LYS 52 1HE LYS 52 -6.666 -9.520 10.913 284 1HZ LYS 52 1HZ LYS 52 -7.111 -11.487 8.859 285 2HZ LYS 52 2HZ LYS 52 -8.228 -10.639 9.805 286 3HZ LYS 52 3HZ LYS 52 -7.498 -12.039 10.412 287 H ASN 53 H ASN 53 -5.674 -5.277 6.415 288 HA ASN 53 HA ASN 53 -8.529 -5.148 6.158 289 1HB ASN 53 2HB ASN 53 -7.230 -4.627 8.813 290 2HB ASN 53 1HB ASN 53 -8.697 -3.767 8.357 291 1HD2 ASN 53 1HD2 ASN 53 -7.339 -6.718 9.424 292 2HD2 ASN 53 2HD2 ASN 53 -8.820 -7.609 9.567 293 H ILE 54 H ILE 54 -9.254 -3.147 5.526 294 HA ILE 54 HA ILE 54 -7.261 -0.987 5.401 295 HB ILE 54 HB ILE 54 -9.219 -1.633 3.206 296 1HG1 ILE 54 2HG1 ILE 54 -6.523 -2.677 3.787 297 2HG1 ILE 54 1HG1 ILE 54 -7.812 -3.369 2.809 298 1HG2 ILE 54 1HG2 ILE 54 -7.914 -0.027 1.905 299 2HG2 ILE 54 2HG2 ILE 54 -6.866 0.255 3.295 300 3HG2 ILE 54 3HG2 ILE 54 -8.565 0.718 3.364 301 1HD1 ILE 54 1HD1 ILE 54 -7.127 -1.486 1.126 302 2HD1 ILE 54 2HD1 ILE 54 -6.205 -2.985 1.230 303 3HD1 ILE 54 3HD1 ILE 54 -5.611 -1.529 2.025 304 H ARG 55 H ARG 55 -7.990 0.988 5.983 305 HA ARG 55 HA ARG 55 -10.499 1.249 7.250 306 1HB ARG 55 2HB ARG 55 -8.121 2.766 7.034 307 2HB ARG 55 1HB ARG 55 -9.434 3.816 6.524 308 1HG ARG 55 2HG ARG 55 -9.617 4.252 8.711 309 2HG ARG 55 1HG ARG 55 -10.505 2.726 8.755 310 1HD ARG 55 2HD ARG 55 -7.575 2.506 8.959 311 2HD ARG 55 1HD ARG 55 -8.375 3.288 10.320 312 HE ARG 55 HE ARG 55 -8.429 0.515 9.665 313 1HH1 ARG 55 1HH1 ARG 55 -10.309 3.085 11.094 314 2HH1 ARG 55 2HH1 ARG 55 -11.244 2.017 12.086 315 1HH2 ARG 55 1HH2 ARG 55 -9.656 -0.890 10.969 316 2HH2 ARG 55 2HH2 ARG 55 -10.873 -0.240 12.015 317 HA PRO 56 HA PRO 56 -13.018 2.183 3.715 318 1HB PRO 56 2HB PRO 56 -15.224 3.073 4.982 319 2HB PRO 56 1HB PRO 56 -14.755 1.368 4.996 320 1HG PRO 56 2HG PRO 56 -14.347 3.462 7.096 321 2HG PRO 56 1HG PRO 56 -14.867 1.777 7.283 322 1HD PRO 56 2HD PRO 56 -12.309 2.613 7.727 323 2HD PRO 56 1HD PRO 56 -12.720 0.973 7.184 324 H ALA 57 H ALA 57 -12.246 3.874 2.567 325 HA ALA 57 HA ALA 57 -12.367 5.990 1.684 326 1HB ALA 57 1HB ALA 57 -13.768 7.624 2.515 327 2HB ALA 57 2HB ALA 57 -13.517 7.139 4.192 328 3HB ALA 57 3HB ALA 57 -14.527 6.156 3.131 329 H GLY 58 H GLY 58 -10.234 4.828 3.330 330 1HA GLY 58 2HA GLY 58 -8.994 7.317 4.327 331 2HA GLY 58 1HA GLY 58 -8.625 5.716 4.953 332 HA PRO 59 HA PRO 59 -5.183 6.977 2.046 333 1HB PRO 59 2HB PRO 59 -3.940 4.908 3.799 334 2HB PRO 59 1HB PRO 59 -3.273 6.438 3.221 335 1HG PRO 59 2HG PRO 59 -4.124 6.196 5.730 336 2HG PRO 59 1HG PRO 59 -4.408 7.687 4.812 337 1HD PRO 59 2HD PRO 59 -6.310 5.501 5.516 338 2HD PRO 59 1HD PRO 59 -6.598 7.246 5.368 339 H GLY 60 H GLY 60 -5.693 3.674 3.321 340 1HA GLY 60 2HA GLY 60 -4.765 2.299 1.073 341 2HA GLY 60 1HA GLY 60 -5.898 1.654 2.252 342 H ASP 61 H ASP 61 -7.998 3.531 1.802 343 HA ASP 61 HA ASP 61 -9.225 2.304 -0.468 344 1HB ASP 61 2HB ASP 61 -10.166 3.488 1.824 345 2HB ASP 61 1HB ASP 61 -10.524 4.712 0.608 346 H LEU 62 H LEU 62 -7.665 5.351 0.212 347 HA LEU 62 HA LEU 62 -8.524 6.691 -2.138 348 1HB LEU 62 2HB LEU 62 -6.249 7.170 -0.226 349 2HB LEU 62 1HB LEU 62 -6.545 8.202 -1.612 350 HG LEU 62 HG LEU 62 -8.605 7.709 0.532 351 1HD1 LEU 62 1HD1 LEU 62 -6.801 8.739 1.664 352 2HD1 LEU 62 2HD1 LEU 62 -7.959 10.020 1.298 353 3HD1 LEU 62 3HD1 LEU 62 -6.499 9.845 0.323 354 1HD2 LEU 62 1HD2 LEU 62 -8.403 10.008 -1.388 355 2HD2 LEU 62 2HD2 LEU 62 -9.786 9.499 -0.420 356 3HD2 LEU 62 3HD2 LEU 62 -9.261 8.521 -1.790 357 H GLY 63 H GLY 63 -5.889 4.538 -1.368 358 1HA GLY 63 2HA GLY 63 -4.357 5.094 -3.726 359 2HA GLY 63 1HA GLY 63 -4.129 3.739 -2.631 360 H GLY 64 H GLY 64 -6.381 2.317 -2.752 361 1HA GLY 64 2HA GLY 64 -7.995 1.541 -4.470 362 2HA GLY 64 1HA GLY 64 -6.688 1.712 -5.631 363 H LEU 65 H LEU 65 -6.365 0.362 -2.392 364 HA LEU 65 HA LEU 65 -5.735 -2.232 -3.636 365 1HB LEU 65 2HB LEU 65 -4.394 -2.613 -1.517 366 2HB LEU 65 1HB LEU 65 -3.753 -1.450 -2.660 367 HG LEU 65 HG LEU 65 -5.451 -0.430 -0.437 368 1HD1 LEU 65 1HD1 LEU 65 -2.568 -0.688 0.143 369 2HD1 LEU 65 2HD1 LEU 65 -3.528 -2.162 0.267 370 3HD1 LEU 65 3HD1 LEU 65 -3.958 -0.748 1.227 371 1HD2 LEU 65 1HD2 LEU 65 -4.147 1.516 -0.683 372 2HD2 LEU 65 2HD2 LEU 65 -4.465 0.952 -2.323 373 3HD2 LEU 65 3HD2 LEU 65 -2.893 0.659 -1.580 374 H LYS 66 H LYS 66 -6.605 -4.087 -2.806 375 HA LYS 66 HA LYS 66 -8.591 -3.758 -0.653 376 1HB LYS 66 2HB LYS 66 -8.764 -5.202 -3.273 377 2HB LYS 66 1HB LYS 66 -9.711 -5.768 -1.905 378 1HG LYS 66 2HG LYS 66 -10.038 -2.945 -2.149 379 2HG LYS 66 1HG LYS 66 -10.318 -3.698 -3.719 380 1HD LYS 66 2HD LYS 66 -12.187 -4.770 -3.018 381 2HD LYS 66 1HD LYS 66 -11.552 -5.038 -1.394 382 1HE LYS 66 2HE LYS 66 -12.252 -2.980 -0.635 383 2HE LYS 66 1HE LYS 66 -12.240 -2.264 -2.246 384 1HZ LYS 66 1HZ LYS 66 -14.133 -4.122 -2.523 385 2HZ LYS 66 2HZ LYS 66 -14.448 -2.523 -2.069 386 3HZ LYS 66 3HZ LYS 66 -14.338 -3.730 -0.890 387 HA PRO 67 HA PRO 67 -6.969 -7.010 1.822 388 1HB PRO 67 2HB PRO 67 -9.031 -8.947 1.508 389 2HB PRO 67 1HB PRO 67 -8.829 -7.800 2.832 390 1HG PRO 67 2HG PRO 67 -10.565 -7.634 0.435 391 2HG PRO 67 1HG PRO 67 -10.801 -6.939 2.047 392 1HD PRO 67 2HD PRO 67 -10.124 -5.412 -0.048 393 2HD PRO 67 1HD PRO 67 -9.478 -5.088 1.575 394 H TYR 68 H TYR 68 -5.666 -8.761 1.583 395 HA TYR 68 HA TYR 68 -4.713 -10.638 0.679 396 1HB TYR 68 2HB TYR 68 -6.693 -10.343 -1.590 397 2HB TYR 68 1HB TYR 68 -5.567 -11.676 -1.385 398 HD1 TYR 68 1HD TYR 68 -8.762 -10.302 -0.419 399 HD2 TYR 68 2HD TYR 68 -5.817 -13.205 0.579 400 HE1 TYR 68 1HE TYR 68 -10.410 -11.489 0.966 401 HE2 TYR 68 2HE TYR 68 -7.457 -14.401 1.965 402 HH TYR 68 HH TYR 68 -10.748 -13.848 1.810 403 H ASP 69 H ASP 69 -4.853 -7.575 -0.599 404 HA ASP 69 HA ASP 69 -3.391 -7.657 -2.945 405 1HB ASP 69 2HB ASP 69 -3.801 -5.630 -0.801 406 2HB ASP 69 1HB ASP 69 -2.500 -5.348 -1.951 407 H ARG 70 H ARG 70 -1.857 -9.287 -2.758 408 HA ARG 70 HA ARG 70 0.137 -9.396 -0.769 409 1HB ARG 70 2HB ARG 70 -0.552 -11.299 -2.164 410 2HB ARG 70 1HB ARG 70 0.147 -10.514 -3.570 411 1HG ARG 70 2HG ARG 70 2.325 -10.513 -2.119 412 2HG ARG 70 1HG ARG 70 1.501 -11.815 -1.260 413 1HD ARG 70 2HD ARG 70 2.163 -11.710 -4.198 414 2HD ARG 70 1HD ARG 70 2.888 -12.762 -2.984 415 HE ARG 70 HE ARG 70 0.287 -13.420 -2.832 416 1HH1 ARG 70 1HH1 ARG 70 2.469 -13.122 -5.541 417 2HH1 ARG 70 2HH1 ARG 70 1.664 -14.329 -6.483 418 1HH2 ARG 70 1HH2 ARG 70 -0.773 -15.010 -4.072 419 2HH2 ARG 70 2HH2 ARG 70 -0.177 -15.400 -5.651 420 H LEU 71 H LEU 71 1.559 -7.798 -0.450 421 HA LEU 71 HA LEU 71 2.383 -5.962 -2.440 422 1HB LEU 71 2HB LEU 71 3.441 -6.619 0.299 423 2HB LEU 71 1HB LEU 71 4.172 -5.388 -0.712 424 HG LEU 71 HG LEU 71 1.481 -4.714 -0.714 425 1HD1 LEU 71 1HD1 LEU 71 1.327 -6.425 1.184 426 2HD1 LEU 71 2HD1 LEU 71 0.651 -4.819 1.461 427 3HD1 LEU 71 3HD1 LEU 71 2.222 -5.244 2.141 428 1HD2 LEU 71 1HD2 LEU 71 2.181 -2.776 0.468 429 2HD2 LEU 71 2HD2 LEU 71 3.524 -3.265 -0.565 430 3HD2 LEU 71 3HD2 LEU 71 3.565 -3.622 1.161 431 H LEU 72 H LEU 72 3.516 -6.577 -4.155 432 HA LEU 72 HA LEU 72 5.434 -8.731 -4.011 433 1HB LEU 72 2HB LEU 72 4.554 -6.946 -6.273 434 2HB LEU 72 1HB LEU 72 5.736 -8.230 -6.448 435 HG LEU 72 HG LEU 72 3.722 -9.640 -5.360 436 1HD1 LEU 72 1HD1 LEU 72 2.418 -7.363 -5.513 437 2HD1 LEU 72 2HD1 LEU 72 1.625 -8.900 -5.848 438 3HD1 LEU 72 3HD1 LEU 72 2.170 -7.882 -7.179 439 1HD2 LEU 72 1HD2 LEU 72 4.996 -10.014 -7.496 440 2HD2 LEU 72 2HD2 LEU 72 3.804 -8.986 -8.296 441 3HD2 LEU 72 3HD2 LEU 72 3.298 -10.494 -7.532 442 H GLN 73 H GLN 73 5.487 -5.223 -4.375 443 HA GLN 73 HA GLN 73 8.238 -5.152 -3.507 444 1HB GLN 73 2HB GLN 73 9.085 -3.933 -5.453 445 2HB GLN 73 1HB GLN 73 8.536 -5.543 -5.902 446 1HG GLN 73 2HG GLN 73 7.047 -4.737 -7.335 447 2HG GLN 73 1HG GLN 73 6.425 -3.582 -6.159 448 1HE2 GLN 73 1HE2 GLN 73 8.038 -1.725 -5.738 449 2HE2 GLN 73 2HE2 GLN 73 8.706 -0.993 -7.160 450 H VAL 74 H VAL 74 8.858 -3.165 -2.703 451 HA VAL 74 HA VAL 74 6.732 -1.125 -2.607 452 HB VAL 74 HB VAL 74 8.883 -1.556 -0.533 453 1HG1 VAL 74 1HG1 VAL 74 8.219 0.545 -0.052 454 2HG1 VAL 74 2HG1 VAL 74 6.867 -0.280 0.720 455 3HG1 VAL 74 3HG1 VAL 74 6.688 0.374 -0.908 456 1HG2 VAL 74 1HG2 VAL 74 7.029 -2.506 0.854 457 2HG2 VAL 74 2HG2 VAL 74 7.515 -3.516 -0.508 458 3HG2 VAL 74 3HG2 VAL 74 6.040 -2.554 -0.605 459 H ASN 75 H ASN 75 7.237 0.485 -3.940 460 HA ASN 75 HA ASN 75 8.337 2.305 -4.766 461 1HB ASN 75 2HB ASN 75 10.678 1.582 -2.999 462 2HB ASN 75 1HB ASN 75 10.352 3.136 -3.753 463 1HD2 ASN 75 1HD2 ASN 75 10.382 4.220 -1.802 464 2HD2 ASN 75 2HD2 ASN 75 9.103 4.079 -0.640 465 H HIS 76 H HIS 76 10.686 -0.280 -4.195 466 HA HIS 76 HA HIS 76 10.961 -0.885 -6.959 467 1HB HIS 76 2HB HIS 76 13.373 -0.226 -7.133 468 2HB HIS 76 1HB HIS 76 12.257 1.133 -7.062 469 HD1 HIS 76 1HD HIS 76 12.066 2.290 -4.614 470 HD2 HIS 76 2HD HIS 76 15.361 -0.153 -5.277 471 HE1 HIS 76 1HE HIS 76 13.723 2.895 -2.822 472 HE2 HIS 76 2HE HIS 76 15.675 1.346 -3.193 473 H VAL 77 H VAL 77 11.596 -1.412 -3.652 474 HA VAL 77 HA VAL 77 13.449 -3.601 -4.068 475 HB VAL 77 HB VAL 77 12.040 -2.824 -1.514 476 1HG1 VAL 77 1HG1 VAL 77 13.406 -5.093 -2.023 477 2HG1 VAL 77 2HG1 VAL 77 13.330 -4.327 -0.437 478 3HG1 VAL 77 3HG1 VAL 77 14.720 -4.046 -1.487 479 1HG2 VAL 77 1HG2 VAL 77 13.198 -0.900 -1.785 480 2HG2 VAL 77 2HG2 VAL 77 14.340 -1.619 -2.919 481 3HG2 VAL 77 3HG2 VAL 77 14.534 -1.881 -1.186 482 H ARG 78 H ARG 78 12.914 -5.674 -4.325 483 HA ARG 78 HA ARG 78 10.195 -6.454 -4.599 484 1HB ARG 78 2HB ARG 78 12.694 -8.148 -4.442 485 2HB ARG 78 1HB ARG 78 11.111 -8.725 -4.942 486 1HG ARG 78 2HG ARG 78 12.469 -6.463 -6.363 487 2HG ARG 78 1HG ARG 78 12.813 -8.149 -6.759 488 1HD ARG 78 2HD ARG 78 10.878 -8.395 -7.854 489 2HD ARG 78 1HD ARG 78 9.962 -7.575 -6.591 490 HE ARG 78 HE ARG 78 11.235 -5.543 -7.830 491 1HH1 ARG 78 1HH1 ARG 78 9.260 -8.172 -9.002 492 2HH1 ARG 78 2HH1 ARG 78 8.656 -7.279 -10.356 493 1HH2 ARG 78 1HH2 ARG 78 10.440 -4.367 -9.612 494 2HH2 ARG 78 2HH2 ARG 78 9.325 -5.119 -10.703 495 H THR 79 H THR 79 8.814 -7.194 -3.121 496 HA THR 79 HA THR 79 9.835 -8.446 -0.688 497 HB THR 79 HB THR 79 8.596 -7.057 0.793 498 HG1 THR 79 1HG THR 79 7.499 -5.835 -1.517 499 1HG2 THR 79 1HG2 THR 79 10.638 -5.973 0.232 500 2HG2 THR 79 2HG2 THR 79 9.369 -4.748 0.293 501 3HG2 THR 79 3HG2 THR 79 9.952 -5.338 -1.264 502 H ARG 80 H ARG 80 8.482 -9.467 -3.035 503 HA ARG 80 HA ARG 80 5.735 -9.916 -2.486 504 1HB ARG 80 2HB ARG 80 7.210 -10.257 -4.677 505 2HB ARG 80 1HB ARG 80 7.299 -11.901 -4.062 506 1HG ARG 80 2HG ARG 80 4.591 -10.895 -3.993 507 2HG ARG 80 1HG ARG 80 5.281 -10.803 -5.615 508 1HD ARG 80 2HD ARG 80 5.868 -13.314 -4.247 509 2HD ARG 80 1HD ARG 80 4.144 -13.029 -4.472 510 HE ARG 80 HE ARG 80 5.176 -12.491 -6.910 511 1HH1 ARG 80 1HH1 ARG 80 5.474 -15.213 -4.746 512 2HH1 ARG 80 2HH1 ARG 80 5.687 -16.364 -6.024 513 1HH2 ARG 80 1HH2 ARG 80 5.455 -14.004 -8.589 514 2HH2 ARG 80 2HH2 ARG 80 5.676 -15.677 -8.205 515 H ASP 81 H ASP 81 8.648 -11.889 -1.999 516 HA ASP 81 HA ASP 81 7.109 -13.806 -0.423 517 1HB ASP 81 2HB ASP 81 9.203 -14.122 -2.191 518 2HB ASP 81 1HB ASP 81 9.996 -14.260 -0.625 519 H PHE 82 H PHE 82 7.789 -11.020 0.482 520 HA PHE 82 HA PHE 82 9.698 -11.365 2.611 521 1HB PHE 82 2HB PHE 82 8.095 -9.142 1.490 522 2HB PHE 82 1HB PHE 82 8.477 -9.022 3.202 523 HD1 PHE 82 1HD PHE 82 9.882 -7.111 3.003 524 HD2 PHE 82 2HD PHE 82 10.703 -10.629 0.755 525 HE1 PHE 82 1HE PHE 82 12.108 -6.230 2.445 526 HE2 PHE 82 2HE PHE 82 12.932 -9.754 0.193 527 HZ PHE 82 HZ PHE 82 13.638 -7.552 1.038 528 H ASP 83 H ASP 83 8.950 -10.510 4.853 529 HA ASP 83 HA ASP 83 6.504 -11.982 5.572 530 1HB ASP 83 2HB ASP 83 9.042 -12.334 6.550 531 2HB ASP 83 1HB ASP 83 8.345 -11.249 7.748 532 H CYS 84 H CYS 84 5.232 -11.085 7.367 533 HA CYS 84 HA CYS 84 4.417 -8.486 6.940 534 1HB CYS 84 2HB CYS 84 3.189 -10.275 8.231 535 2HB CYS 84 1HB CYS 84 4.226 -9.901 9.603 536 HG CYS 84 HG CYS 84 1.767 -8.593 9.364 537 H CYS 85 H CYS 85 6.776 -9.691 9.285 538 HA CYS 85 HA CYS 85 7.219 -7.274 10.618 539 1HB CYS 85 2HB CYS 85 7.964 -9.650 11.268 540 2HB CYS 85 1HB CYS 85 9.349 -9.361 10.220 541 HG CYS 85 HG CYS 85 10.151 -7.514 11.824 542 H LEU 86 H LEU 86 8.209 -8.367 7.510 543 HA LEU 86 HA LEU 86 10.324 -6.360 7.310 544 1HB LEU 86 2HB LEU 86 9.527 -8.764 5.755 545 2HB LEU 86 1HB LEU 86 10.309 -7.463 4.876 546 HG LEU 86 HG LEU 86 12.183 -7.594 6.575 547 1HD1 LEU 86 1HD1 LEU 86 12.255 -9.171 8.184 548 2HD1 LEU 86 2HD1 LEU 86 11.408 -10.367 7.203 549 3HD1 LEU 86 3HD1 LEU 86 10.500 -9.101 8.029 550 1HD2 LEU 86 1HD2 LEU 86 11.537 -9.819 4.669 551 2HD2 LEU 86 2HD2 LEU 86 13.057 -9.774 5.560 552 3HD2 LEU 86 3HD2 LEU 86 12.645 -8.464 4.454 553 H VAL 87 H VAL 87 7.110 -7.074 6.134 554 HA VAL 87 HA VAL 87 7.104 -4.987 4.166 555 HB VAL 87 HB VAL 87 4.776 -6.531 5.320 556 1HG1 VAL 87 1HG1 VAL 87 5.021 -4.454 3.238 557 2HG1 VAL 87 2HG1 VAL 87 3.649 -4.885 4.258 558 3HG1 VAL 87 3HG1 VAL 87 4.020 -5.848 2.828 559 1HG2 VAL 87 1HG2 VAL 87 6.295 -7.024 2.761 560 2HG2 VAL 87 2HG2 VAL 87 4.970 -7.985 3.416 561 3HG2 VAL 87 3HG2 VAL 87 6.521 -7.940 4.250 562 H VAL 88 H VAL 88 6.003 -5.351 7.504 563 HA VAL 88 HA VAL 88 4.420 -3.062 7.659 564 HB VAL 88 HB VAL 88 6.085 -4.299 9.858 565 1HG1 VAL 88 1HG1 VAL 88 4.049 -2.118 9.854 566 2HG1 VAL 88 2HG1 VAL 88 5.568 -2.236 10.742 567 3HG1 VAL 88 3HG1 VAL 88 4.176 -3.193 11.246 568 1HG2 VAL 88 1HG2 VAL 88 3.171 -4.658 9.799 569 2HG2 VAL 88 2HG2 VAL 88 4.451 -5.808 10.188 570 3HG2 VAL 88 3HG2 VAL 88 4.051 -5.467 8.504 571 HA PRO 89 HA PRO 89 8.407 -0.634 8.990 572 1HB PRO 89 2HB PRO 89 10.604 -2.250 7.895 573 2HB PRO 89 1HB PRO 89 10.428 -1.548 9.506 574 1HG PRO 89 2HG PRO 89 10.252 -4.198 9.083 575 2HG PRO 89 1HG PRO 89 9.284 -3.378 10.322 576 1HD PRO 89 2HD PRO 89 8.480 -4.277 7.582 577 2HD PRO 89 1HD PRO 89 7.591 -4.410 9.108 578 H LEU 90 H LEU 90 8.868 -2.631 6.063 579 HA LEU 90 HA LEU 90 10.059 -0.720 4.451 580 1HB LEU 90 2HB LEU 90 8.321 -3.090 3.881 581 2HB LEU 90 1HB LEU 90 8.819 -2.037 2.570 582 HG LEU 90 HG LEU 90 10.838 -3.264 4.427 583 1HD1 LEU 90 1HD1 LEU 90 10.864 -4.735 2.065 584 2HD1 LEU 90 2HD1 LEU 90 9.163 -4.635 2.516 585 3HD1 LEU 90 3HD1 LEU 90 10.338 -5.287 3.656 586 1HD2 LEU 90 1HD2 LEU 90 11.746 -1.522 3.117 587 2HD2 LEU 90 2HD2 LEU 90 10.900 -2.066 1.669 588 3HD2 LEU 90 3HD2 LEU 90 12.228 -3.023 2.325 589 H ILE 91 H ILE 91 6.737 -1.093 5.406 590 HA ILE 91 HA ILE 91 5.671 0.704 3.431 591 HB ILE 91 HB ILE 91 4.485 -0.491 5.937 592 1HG1 ILE 91 2HG1 ILE 91 3.598 -0.986 3.112 593 2HG1 ILE 91 1HG1 ILE 91 4.994 -1.843 3.768 594 1HG2 ILE 91 1HG2 ILE 91 3.580 1.795 4.478 595 2HG2 ILE 91 2HG2 ILE 91 2.861 1.020 5.888 596 3HG2 ILE 91 3HG2 ILE 91 2.431 0.473 4.268 597 1HD1 ILE 91 1HD1 ILE 91 2.263 -1.851 5.029 598 2HD1 ILE 91 2HD1 ILE 91 3.652 -2.843 5.472 599 3HD1 ILE 91 3HD1 ILE 91 2.853 -3.088 3.919 600 H ALA 92 H ALA 92 6.323 0.890 6.923 601 HA ALA 92 HA ALA 92 5.576 3.615 7.127 602 1HB ALA 92 1HB ALA 92 5.669 1.783 8.958 603 2HB ALA 92 2HB ALA 92 6.055 3.452 9.377 604 3HB ALA 92 3HB ALA 92 7.352 2.285 9.120 605 H GLU 93 H GLU 93 8.236 2.238 5.699 606 HA GLU 93 HA GLU 93 10.051 4.397 6.473 607 1HB GLU 93 2HB GLU 93 10.411 1.704 5.249 608 2HB GLU 93 1HB GLU 93 11.605 2.946 4.894 609 1HG GLU 93 2HG GLU 93 11.540 3.225 7.529 610 2HG GLU 93 1HG GLU 93 11.016 1.544 7.436 611 H SER 94 H SER 94 7.880 3.603 4.021 612 HA SER 94 HA SER 94 9.189 4.683 1.770 613 1HB SER 94 2HB SER 94 6.914 3.300 2.065 614 2HB SER 94 1HB SER 94 6.233 4.922 1.943 615 HG SER 94 HG SER 94 7.030 5.122 -0.071 616 H GLY 95 H GLY 95 7.888 6.179 4.517 617 1HA GLY 95 2HA GLY 95 8.141 8.443 5.062 618 2HA GLY 95 1HA GLY 95 8.419 8.796 3.363 619 H ASN 96 H ASN 96 6.979 10.463 3.171 620 HA ASN 96 HA ASN 96 4.298 10.313 4.141 621 1HB ASN 96 2HB ASN 96 3.994 12.403 2.754 622 2HB ASN 96 1HB ASN 96 5.271 12.482 3.964 623 1HD2 ASN 96 1HD2 ASN 96 6.406 14.075 2.923 624 2HD2 ASN 96 2HD2 ASN 96 7.258 13.809 1.437 625 H LYS 97 H LYS 97 5.776 8.857 1.520 626 HA LYS 97 HA LYS 97 3.172 8.405 0.255 627 1HB LYS 97 2HB LYS 97 5.464 9.764 -0.932 628 2HB LYS 97 1HB LYS 97 4.945 8.376 -1.880 629 1HG LYS 97 2HG LYS 97 2.564 9.545 -1.382 630 2HG LYS 97 1HG LYS 97 3.620 10.958 -1.421 631 1HD LYS 97 2HD LYS 97 3.451 8.849 -3.573 632 2HD LYS 97 1HD LYS 97 2.668 10.429 -3.633 633 1HE LYS 97 2HE LYS 97 5.559 10.454 -3.069 634 2HE LYS 97 1HE LYS 97 5.101 9.906 -4.680 635 1HZ LYS 97 1HZ LYS 97 5.486 12.425 -4.184 636 2HZ LYS 97 2HZ LYS 97 3.888 12.362 -3.634 637 3HZ LYS 97 3HZ LYS 97 4.249 11.936 -5.230 638 H LEU 98 H LEU 98 2.870 6.352 -0.541 639 HA LEU 98 HA LEU 98 5.148 4.503 -0.343 640 1HB LEU 98 2HB LEU 98 3.174 4.527 1.498 641 2HB LEU 98 1HB LEU 98 2.477 3.429 0.326 642 HG LEU 98 HG LEU 98 4.934 3.080 2.005 643 1HD1 LEU 98 1HD1 LEU 98 2.731 2.245 2.752 644 2HD1 LEU 98 2HD1 LEU 98 3.919 0.962 2.517 645 3HD1 LEU 98 3HD1 LEU 98 2.660 1.230 1.312 646 1HD2 LEU 98 1HD2 LEU 98 5.210 0.948 0.512 647 2HD2 LEU 98 2HD2 LEU 98 5.942 2.477 0.027 648 3HD2 LEU 98 3HD2 LEU 98 4.429 1.951 -0.712 649 H ASP 99 H ASP 99 5.480 4.255 -2.507 650 HA ASP 99 HA ASP 99 3.203 3.474 -4.181 651 1HB ASP 99 2HB ASP 99 5.060 5.256 -4.797 652 2HB ASP 99 1HB ASP 99 5.973 3.823 -5.264 653 H LEU 100 H LEU 100 2.824 1.366 -4.414 654 HA LEU 100 HA LEU 100 5.084 -0.468 -4.662 655 1HB LEU 100 2HB LEU 100 3.920 -2.059 -3.076 656 2HB LEU 100 1HB LEU 100 4.716 -0.672 -2.356 657 HG LEU 100 HG LEU 100 2.216 0.320 -2.648 658 1HD1 LEU 100 1HD1 LEU 100 1.733 -2.531 -1.850 659 2HD1 LEU 100 2HD1 LEU 100 1.540 -1.982 -3.515 660 3HD1 LEU 100 3HD1 LEU 100 0.555 -1.275 -2.234 661 1HD2 LEU 100 1HD2 LEU 100 2.955 0.631 -0.548 662 2HD2 LEU 100 2HD2 LEU 100 3.743 -0.945 -0.478 663 3HD2 LEU 100 3HD2 LEU 100 2.007 -0.813 -0.200 664 H VAL 101 H VAL 101 4.433 -2.642 -5.349 665 HA VAL 101 HA VAL 101 2.016 -2.555 -7.035 666 HB VAL 101 HB VAL 101 4.480 -4.241 -7.492 667 1HG1 VAL 101 1HG1 VAL 101 3.206 -3.985 -9.885 668 2HG1 VAL 101 2HG1 VAL 101 1.846 -4.030 -8.763 669 3HG1 VAL 101 3HG1 VAL 101 3.018 -5.349 -8.783 670 1HG2 VAL 101 1HG2 VAL 101 3.852 -1.460 -8.253 671 2HG2 VAL 101 2HG2 VAL 101 4.505 -2.485 -9.531 672 3HG2 VAL 101 3HG2 VAL 101 5.412 -2.255 -8.035 673 H ILE 102 H ILE 102 0.453 -3.673 -6.052 674 HA ILE 102 HA ILE 102 1.161 -6.115 -4.574 675 HB ILE 102 HB ILE 102 -1.065 -5.946 -3.554 676 1HG1 ILE 102 2HG1 ILE 102 -2.191 -3.604 -3.983 677 2HG1 ILE 102 1HG1 ILE 102 -1.330 -3.696 -5.514 678 1HG2 ILE 102 1HG2 ILE 102 1.109 -4.192 -3.143 679 2HG2 ILE 102 2HG2 ILE 102 -0.119 -4.694 -1.982 680 3HG2 ILE 102 3HG2 ILE 102 -0.363 -3.240 -2.948 681 1HD1 ILE 102 1HD1 ILE 102 -3.781 -4.590 -5.266 682 2HD1 ILE 102 2HD1 ILE 102 -2.956 -6.031 -4.673 683 3HD1 ILE 102 3HD1 ILE 102 -2.604 -5.415 -6.288 684 H SER 103 H SER 103 -0.564 -7.863 -4.676 685 HA SER 103 HA SER 103 -1.871 -8.047 -7.282 686 1HB SER 103 2HB SER 103 -0.906 -10.152 -7.847 687 2HB SER 103 1HB SER 103 0.437 -9.098 -7.413 688 HG SER 103 HG SER 103 0.847 -10.876 -6.265 689 H ARG 104 H ARG 104 -3.908 -8.633 -6.959 690 HA ARG 104 HA ARG 104 -4.503 -10.478 -4.740 691 1HB ARG 104 2HB ARG 104 -6.691 -9.213 -4.504 692 2HB ARG 104 1HB ARG 104 -5.248 -8.381 -3.940 693 1HG ARG 104 2HG ARG 104 -5.293 -6.851 -5.652 694 2HG ARG 104 1HG ARG 104 -6.202 -7.918 -6.725 695 1HD ARG 104 2HD ARG 104 -8.002 -7.613 -4.760 696 2HD ARG 104 1HD ARG 104 -7.152 -6.075 -4.618 697 HE ARG 104 HE ARG 104 -8.242 -5.403 -6.495 698 1HH1 ARG 104 1HH1 ARG 104 -8.062 -8.887 -6.549 699 2HH1 ARG 104 2HH1 ARG 104 -8.973 -9.037 -8.014 700 1HH2 ARG 104 1HH2 ARG 104 -9.441 -5.597 -8.422 701 2HH2 ARG 104 2HH2 ARG 104 -9.755 -7.169 -9.078 702 H ASN 105 H ASN 105 -5.690 -12.194 -5.260 703 HA ASN 105 HA ASN 105 -6.357 -12.760 -7.946 704 1HB ASN 105 2HB ASN 105 -7.297 -14.137 -5.421 705 2HB ASN 105 1HB ASN 105 -7.389 -14.799 -7.049 706 1HD2 ASN 105 1HD2 ASN 105 -5.532 -15.526 -8.057 707 2HD2 ASN 105 2HD2 ASN 105 -4.055 -15.803 -7.192 708 HA PRO 106 HA PRO 106 -10.377 -11.150 -8.706 709 1HB PRO 106 2HB PRO 106 -11.281 -13.949 -9.200 710 2HB PRO 106 1HB PRO 106 -11.451 -12.515 -10.219 711 1HG PRO 106 2HG PRO 106 -9.639 -14.378 -10.792 712 2HG PRO 106 1HG PRO 106 -9.276 -12.655 -11.010 713 1HD PRO 106 2HD PRO 106 -8.370 -14.530 -8.874 714 2HD PRO 106 1HD PRO 106 -7.510 -13.172 -9.625 Start of MODEL 19 1 1H SER 16 1HT SER 16 -8.001 -17.993 -13.655 2 2H SER 16 2HT SER 16 -9.101 -18.948 -12.750 3 3H SER 16 3HT SER 16 -7.516 -18.668 -12.158 4 HA SER 16 HA SER 16 -8.331 -16.191 -12.468 5 1HB SER 16 2HB SER 16 -10.711 -17.932 -12.364 6 2HB SER 16 1HB SER 16 -10.731 -16.591 -11.218 7 HG SER 16 HG SER 16 -11.610 -15.898 -13.157 8 HA PRO 17 HA PRO 17 -8.620 -17.304 -7.838 9 1HB PRO 17 2HB PRO 17 -9.120 -19.812 -7.038 10 2HB PRO 17 1HB PRO 17 -10.418 -18.734 -7.565 11 1HG PRO 17 2HG PRO 17 -9.066 -20.944 -9.056 12 2HG PRO 17 1HG PRO 17 -10.783 -20.507 -9.013 13 1HD PRO 17 2HD PRO 17 -9.039 -19.807 -11.032 14 2HD PRO 17 1HD PRO 17 -10.539 -18.940 -10.654 15 H THR 18 H THR 18 -6.300 -17.345 -9.276 16 HA THR 18 HA THR 18 -4.504 -18.587 -7.503 17 HB THR 18 HB THR 18 -4.070 -19.662 -10.236 18 HG1 THR 18 1HG THR 18 -5.848 -20.915 -8.426 19 1HG2 THR 18 1HG2 THR 18 -2.557 -20.879 -9.197 20 2HG2 THR 18 2HG2 THR 18 -3.807 -21.593 -8.179 21 3HG2 THR 18 3HG2 THR 18 -2.995 -20.114 -7.670 22 HA PRO 19 HA PRO 19 -2.100 -16.182 -10.873 23 1HB PRO 19 2HB PRO 19 -3.913 -15.287 -12.934 24 2HB PRO 19 1HB PRO 19 -2.543 -16.385 -13.079 25 1HG PRO 19 2HG PRO 19 -5.155 -17.150 -13.387 26 2HG PRO 19 1HG PRO 19 -3.852 -18.245 -12.888 27 1HD PRO 19 2HD PRO 19 -5.916 -16.863 -11.215 28 2HD PRO 19 1HD PRO 19 -5.287 -18.517 -11.087 29 H VAL 20 H VAL 20 -2.312 -14.756 -9.005 30 HA VAL 20 HA VAL 20 -4.160 -12.817 -8.519 31 HB VAL 20 HB VAL 20 -2.345 -11.456 -7.522 32 1HG1 VAL 20 1HG1 VAL 20 -1.610 -14.179 -6.676 33 2HG1 VAL 20 2HG1 VAL 20 -3.334 -13.810 -6.655 34 3HG1 VAL 20 3HG1 VAL 20 -2.207 -12.817 -5.730 35 1HG2 VAL 20 1HG2 VAL 20 -0.501 -13.575 -8.619 36 2HG2 VAL 20 2HG2 VAL 20 -0.049 -12.198 -7.616 37 3HG2 VAL 20 3HG2 VAL 20 -0.646 -11.937 -9.256 38 H GLU 21 H GLU 21 -3.879 -10.399 -8.808 39 HA GLU 21 HA GLU 21 -2.986 -9.779 -11.543 40 1HB GLU 21 2HB GLU 21 -5.630 -9.633 -10.461 41 2HB GLU 21 1HB GLU 21 -5.081 -8.000 -10.816 42 1HG GLU 21 2HG GLU 21 -4.460 -8.824 -13.108 43 2HG GLU 21 1HG GLU 21 -5.299 -10.322 -12.710 44 H LEU 22 H LEU 22 -1.485 -8.252 -11.606 45 HA LEU 22 HA LEU 22 -0.540 -6.912 -9.343 46 1HB LEU 22 2HB LEU 22 -0.097 -6.669 -12.277 47 2HB LEU 22 1HB LEU 22 0.507 -5.397 -11.233 48 HG LEU 22 HG LEU 22 1.217 -8.319 -11.029 49 1HD1 LEU 22 1HD1 LEU 22 3.095 -7.916 -12.222 50 2HD1 LEU 22 2HD1 LEU 22 3.248 -6.263 -11.629 51 3HD1 LEU 22 3HD1 LEU 22 2.107 -6.633 -12.921 52 1HD2 LEU 22 1HD2 LEU 22 3.068 -6.962 -9.579 53 2HD2 LEU 22 2HD2 LEU 22 1.639 -7.740 -8.898 54 3HD2 LEU 22 3HD2 LEU 22 1.618 -6.013 -9.253 55 H HIS 23 H HIS 23 -0.556 -4.681 -8.801 56 HA HIS 23 HA HIS 23 -2.414 -2.904 -10.100 57 1HB HIS 23 2HB HIS 23 -2.994 -4.084 -7.395 58 2HB HIS 23 1HB HIS 23 -3.612 -2.501 -7.848 59 HD1 HIS 23 1HD HIS 23 -4.380 -3.152 -10.789 60 HD2 HIS 23 2HD HIS 23 -5.312 -5.529 -7.511 61 HE1 HIS 23 1HE HIS 23 -6.377 -4.509 -11.490 62 HE2 HIS 23 2HE HIS 23 -6.980 -5.871 -9.459 63 H LYS 24 H LYS 24 -1.157 -1.166 -10.260 64 HA LYS 24 HA LYS 24 0.894 -0.534 -8.374 65 1HB LYS 24 2HB LYS 24 0.186 0.266 -10.994 66 2HB LYS 24 1HB LYS 24 0.186 1.724 -10.011 67 1HG LYS 24 2HG LYS 24 2.358 1.638 -10.764 68 2HG LYS 24 1HG LYS 24 2.485 0.865 -9.182 69 1HD LYS 24 2HD LYS 24 3.722 -0.400 -10.852 70 2HD LYS 24 1HD LYS 24 2.350 -1.336 -10.256 71 1HE LYS 24 2HE LYS 24 1.230 -1.215 -12.240 72 2HE LYS 24 1HE LYS 24 1.932 0.346 -12.664 73 1HZ LYS 24 1HZ LYS 24 3.953 -0.697 -13.292 74 2HZ LYS 24 2HZ LYS 24 2.706 -1.557 -14.044 75 3HZ LYS 24 3HZ LYS 24 3.465 -2.194 -12.673 76 H VAL 25 H VAL 25 0.469 0.243 -6.404 77 HA VAL 25 HA VAL 25 -1.730 2.181 -6.135 78 HB VAL 25 HB VAL 25 -1.210 1.052 -3.599 79 1HG1 VAL 25 1HG1 VAL 25 -3.391 1.473 -3.663 80 2HG1 VAL 25 2HG1 VAL 25 -3.584 -0.048 -4.534 81 3HG1 VAL 25 3HG1 VAL 25 -3.410 1.462 -5.426 82 1HG2 VAL 25 1HG2 VAL 25 -0.155 -0.836 -4.775 83 2HG2 VAL 25 2HG2 VAL 25 -1.647 -1.089 -5.680 84 3HG2 VAL 25 3HG2 VAL 25 -1.628 -1.312 -3.931 85 H THR 26 H THR 26 -1.435 3.963 -4.881 86 HA THR 26 HA THR 26 1.184 4.355 -3.617 87 HB THR 26 HB THR 26 -0.211 6.323 -5.447 88 HG1 THR 26 1HG THR 26 1.109 5.635 -6.911 89 1HG2 THR 26 1HG2 THR 26 0.898 7.487 -3.605 90 2HG2 THR 26 2HG2 THR 26 1.698 7.775 -5.150 91 3HG2 THR 26 3HG2 THR 26 2.401 6.647 -3.991 92 H LEU 27 H LEU 27 0.621 4.476 -1.523 93 HA LEU 27 HA LEU 27 -1.849 5.818 -0.758 94 1HB LEU 27 2HB LEU 27 0.128 4.189 0.827 95 2HB LEU 27 1HB LEU 27 -1.305 4.932 1.512 96 HG LEU 27 HG LEU 27 -2.392 3.509 -0.540 97 1HD1 LEU 27 1HD1 LEU 27 -1.345 1.214 -0.254 98 2HD1 LEU 27 2HD1 LEU 27 0.052 2.052 0.422 99 3HD1 LEU 27 3HD1 LEU 27 -0.453 2.376 -1.236 100 1HD2 LEU 27 1HD2 LEU 27 -2.977 1.845 1.231 101 2HD2 LEU 27 2HD2 LEU 27 -3.286 3.523 1.672 102 3HD2 LEU 27 3HD2 LEU 27 -1.868 2.691 2.310 103 H TYR 28 H TYR 28 -1.674 7.000 1.434 104 HA TYR 28 HA TYR 28 0.703 8.707 1.547 105 1HB TYR 28 2HB TYR 28 -2.158 9.667 1.373 106 2HB TYR 28 1HB TYR 28 -0.820 10.690 1.885 107 HD1 TYR 28 1HD TYR 28 -1.838 8.484 -0.950 108 HD2 TYR 28 2HD TYR 28 0.290 11.951 0.291 109 HE1 TYR 28 1HE TYR 28 -1.370 9.032 -3.303 110 HE2 TYR 28 2HE TYR 28 0.764 12.510 -2.055 111 HH TYR 28 HH TYR 28 0.184 10.307 -4.621 112 H LYS 29 H LYS 29 1.459 8.727 3.566 113 HA LYS 29 HA LYS 29 -0.423 8.168 5.761 114 1HB LYS 29 2HB LYS 29 1.274 6.439 5.493 115 2HB LYS 29 1HB LYS 29 2.550 7.645 5.593 116 1HG LYS 29 2HG LYS 29 1.738 8.171 7.907 117 2HG LYS 29 1HG LYS 29 0.674 6.769 7.775 118 1HD LYS 29 2HD LYS 29 2.344 5.386 8.282 119 2HD LYS 29 1HD LYS 29 3.350 6.059 6.996 120 1HE LYS 29 2HE LYS 29 3.020 7.574 9.546 121 2HE LYS 29 1HE LYS 29 4.112 6.191 9.500 122 1HZ LYS 29 1HZ LYS 29 5.467 7.219 7.934 123 2HZ LYS 29 2HZ LYS 29 5.062 8.484 8.982 124 3HZ LYS 29 3HZ LYS 29 4.286 8.345 7.486 125 H ASP 30 H ASP 30 -0.153 9.272 7.753 126 HA ASP 30 HA ASP 30 1.004 11.949 7.419 127 1HB ASP 30 2HB ASP 30 -1.465 11.602 8.029 128 2HB ASP 30 1HB ASP 30 -0.881 11.098 9.612 129 H SER 31 H SER 31 2.529 12.745 8.788 130 HA SER 31 HA SER 31 4.325 11.072 10.041 131 1HB SER 31 2HB SER 31 3.742 13.967 10.709 132 2HB SER 31 1HB SER 31 5.202 13.089 11.164 133 HG SER 31 HG SER 31 4.339 13.899 8.608 134 H GLY 32 H GLY 32 1.320 12.318 11.260 135 1HA GLY 32 2HA GLY 32 1.914 11.764 14.026 136 2HA GLY 32 1HA GLY 32 0.353 12.227 13.366 137 H MET 33 H MET 33 0.155 10.140 11.430 138 HA MET 33 HA MET 33 -0.750 8.025 13.174 139 1HB MET 33 2HB MET 33 -0.934 8.498 10.205 140 2HB MET 33 1HB MET 33 -1.471 6.995 10.941 141 1HG MET 33 2HG MET 33 -2.522 9.420 12.205 142 2HG MET 33 1HG MET 33 -3.029 9.174 10.536 143 1HE MET 33 1HE MET 33 -4.998 5.918 10.570 144 2HE MET 33 2HE MET 33 -3.248 5.860 10.357 145 3HE MET 33 3HE MET 33 -4.181 7.170 9.634 146 H GLU 34 H GLU 34 -0.225 5.761 12.814 147 HA GLU 34 HA GLU 34 2.585 5.433 12.035 148 1HB GLU 34 2HB GLU 34 1.152 4.614 14.335 149 2HB GLU 34 1HB GLU 34 1.570 3.156 13.447 150 1HG GLU 34 2HG GLU 34 3.636 5.245 13.996 151 2HG GLU 34 1HG GLU 34 3.198 4.061 15.226 152 H ASP 35 H ASP 35 -0.633 4.283 11.521 153 HA ASP 35 HA ASP 35 0.202 2.084 9.829 154 1HB ASP 35 2HB ASP 35 -2.532 3.196 10.497 155 2HB ASP 35 1HB ASP 35 -2.262 1.795 9.464 156 H PHE 36 H PHE 36 -0.985 1.923 7.628 157 HA PHE 36 HA PHE 36 -0.756 4.527 6.270 158 1HB PHE 36 2HB PHE 36 0.714 2.152 5.808 159 2HB PHE 36 1HB PHE 36 -0.364 2.363 4.431 160 HD1 PHE 36 1HD PHE 36 2.661 3.418 6.006 161 HD2 PHE 36 2HD PHE 36 -0.340 4.596 3.228 162 HE1 PHE 36 1HE PHE 36 4.190 5.107 5.077 163 HE2 PHE 36 2HE PHE 36 1.184 6.288 2.294 164 HZ PHE 36 HZ PHE 36 3.452 6.544 3.219 165 H GLY 37 H GLY 37 -3.148 3.372 7.411 166 1HA GLY 37 2HA GLY 37 -5.370 3.411 6.783 167 2HA GLY 37 1HA GLY 37 -4.859 3.694 5.129 168 H PHE 38 H PHE 38 -3.271 0.990 6.334 169 HA PHE 38 HA PHE 38 -5.283 -0.967 6.109 170 1HB PHE 38 2HB PHE 38 -5.018 -1.831 3.950 171 2HB PHE 38 1HB PHE 38 -5.083 -0.092 3.710 172 HD1 PHE 38 1HD PHE 38 -3.178 -3.092 3.250 173 HD2 PHE 38 2HD PHE 38 -2.930 1.157 3.305 174 HE1 PHE 38 1HE PHE 38 -1.075 -3.202 1.983 175 HE2 PHE 38 2HE PHE 38 -0.822 1.051 2.036 176 HZ PHE 38 HZ PHE 38 0.100 -1.135 1.364 177 H SER 39 H SER 39 -4.581 -2.627 7.248 178 HA SER 39 HA SER 39 -1.706 -2.954 7.652 179 1HB SER 39 2HB SER 39 -4.150 -3.662 9.182 180 2HB SER 39 1HB SER 39 -2.787 -4.771 9.325 181 HG SER 39 HG SER 39 -2.272 -3.340 10.822 182 H VAL 40 H VAL 40 -0.623 -4.882 7.274 183 HA VAL 40 HA VAL 40 -2.020 -6.740 5.469 184 HB VAL 40 HB VAL 40 0.167 -7.299 4.539 185 1HG1 VAL 40 1HG1 VAL 40 0.159 -5.556 3.108 186 2HG1 VAL 40 2HG1 VAL 40 0.264 -4.359 4.398 187 3HG1 VAL 40 3HG1 VAL 40 -1.288 -5.099 4.008 188 1HG2 VAL 40 1HG2 VAL 40 1.189 -5.270 6.518 189 2HG2 VAL 40 2HG2 VAL 40 2.128 -5.863 5.148 190 3HG2 VAL 40 3HG2 VAL 40 1.614 -6.978 6.413 191 H ALA 41 H ALA 41 -1.349 -9.006 5.551 192 HA ALA 41 HA ALA 41 -0.569 -9.820 8.275 193 1HB ALA 41 1HB ALA 41 -2.930 -10.388 6.890 194 2HB ALA 41 2HB ALA 41 -2.372 -11.111 8.399 195 3HB ALA 41 3HB ALA 41 -1.992 -11.880 6.858 196 H ASP 42 H ASP 42 0.096 -12.298 8.178 197 HA ASP 42 HA ASP 42 2.375 -12.387 6.368 198 1HB ASP 42 2HB ASP 42 2.198 -13.003 8.983 199 2HB ASP 42 1HB ASP 42 1.908 -14.596 8.290 200 H GLY 43 H GLY 43 2.936 -14.423 5.278 201 1HA GLY 43 2HA GLY 43 0.506 -15.785 4.294 202 2HA GLY 43 1HA GLY 43 1.923 -15.467 3.305 203 H LEU 44 H LEU 44 0.337 -17.910 4.584 204 HA LEU 44 HA LEU 44 2.621 -19.341 5.679 205 1HB LEU 44 2HB LEU 44 -0.116 -19.369 6.227 206 2HB LEU 44 1HB LEU 44 0.208 -20.907 5.451 207 HG LEU 44 HG LEU 44 0.389 -21.217 7.813 208 1HD1 LEU 44 1HD1 LEU 44 2.512 -22.200 7.970 209 2HD1 LEU 44 2HD1 LEU 44 3.231 -21.025 6.868 210 3HD1 LEU 44 3HD1 LEU 44 2.116 -22.245 6.251 211 1HD2 LEU 44 1HD2 LEU 44 0.861 -18.730 8.206 212 2HD2 LEU 44 2HD2 LEU 44 2.556 -19.150 7.966 213 3HD2 LEU 44 3HD2 LEU 44 1.640 -19.895 9.276 214 H LEU 45 H LEU 45 0.117 -19.960 3.287 215 HA LEU 45 HA LEU 45 1.690 -22.029 2.051 216 1HB LEU 45 2HB LEU 45 -0.969 -20.859 1.266 217 2HB LEU 45 1HB LEU 45 -0.224 -22.252 0.506 218 HG LEU 45 HG LEU 45 -0.403 -22.661 3.355 219 1HD1 LEU 45 1HD1 LEU 45 -2.559 -22.278 3.878 220 2HD1 LEU 45 2HD1 LEU 45 -3.130 -22.621 2.246 221 3HD1 LEU 45 3HD1 LEU 45 -2.427 -21.049 2.622 222 1HD2 LEU 45 1HD2 LEU 45 -0.366 -24.191 1.131 223 2HD2 LEU 45 2HD2 LEU 45 -2.089 -24.215 1.510 224 3HD2 LEU 45 3HD2 LEU 45 -0.915 -24.757 2.709 225 H GLU 46 H GLU 46 0.553 -18.832 1.198 226 HA GLU 46 HA GLU 46 1.972 -18.889 -1.334 227 1HB GLU 46 2HB GLU 46 0.620 -16.464 -0.191 228 2HB GLU 46 1HB GLU 46 0.874 -16.893 -1.876 229 1HG GLU 46 2HG GLU 46 -0.668 -18.960 -1.031 230 2HG GLU 46 1HG GLU 46 -1.284 -17.636 -0.045 231 H LYS 47 H LYS 47 3.136 -18.639 1.606 232 HA LYS 47 HA LYS 47 4.675 -17.296 2.724 233 1HB LYS 47 2HB LYS 47 5.706 -18.773 0.469 234 2HB LYS 47 1HB LYS 47 6.711 -17.368 0.796 235 1HG LYS 47 2HG LYS 47 5.915 -19.371 2.893 236 2HG LYS 47 1HG LYS 47 7.410 -19.460 1.961 237 1HD LYS 47 2HD LYS 47 7.789 -17.036 2.782 238 2HD LYS 47 1HD LYS 47 6.570 -17.429 3.997 239 1HE LYS 47 2HE LYS 47 8.267 -18.231 5.207 240 2HE LYS 47 1HE LYS 47 8.243 -19.602 4.099 241 1HZ LYS 47 1HZ LYS 47 9.763 -17.272 3.244 242 2HZ LYS 47 2HZ LYS 47 10.111 -18.917 3.067 243 3HZ LYS 47 3HZ LYS 47 10.403 -18.146 4.543 244 H GLY 48 H GLY 48 3.907 -15.193 2.846 245 1HA GLY 48 2HA GLY 48 5.444 -13.159 1.778 246 2HA GLY 48 1HA GLY 48 4.077 -13.340 0.688 247 H VAL 49 H VAL 49 3.334 -11.246 1.217 248 HA VAL 49 HA VAL 49 1.805 -11.187 3.708 249 HB VAL 49 HB VAL 49 3.584 -8.904 2.836 250 1HG1 VAL 49 1HG1 VAL 49 2.555 -8.654 5.493 251 2HG1 VAL 49 2HG1 VAL 49 1.219 -8.890 4.368 252 3HG1 VAL 49 3HG1 VAL 49 2.357 -7.570 4.118 253 1HG2 VAL 49 1HG2 VAL 49 3.932 -11.110 4.765 254 2HG2 VAL 49 2HG2 VAL 49 4.402 -9.505 5.322 255 3HG2 VAL 49 3HG2 VAL 49 5.136 -10.182 3.870 256 H TYR 50 H TYR 50 -0.149 -10.205 3.531 257 HA TYR 50 HA TYR 50 -0.729 -8.664 1.108 258 1HB TYR 50 2HB TYR 50 -2.992 -10.326 1.840 259 2HB TYR 50 1HB TYR 50 -2.208 -10.130 0.276 260 HD1 TYR 50 1HD TYR 50 0.058 -11.418 -0.008 261 HD2 TYR 50 2HD TYR 50 -2.894 -12.379 2.898 262 HE1 TYR 50 1HE TYR 50 0.986 -13.685 0.171 263 HE2 TYR 50 2HE TYR 50 -1.976 -14.650 3.087 264 HH TYR 50 HH TYR 50 1.015 -15.566 1.549 265 H VAL 51 H VAL 51 -2.932 -7.584 1.289 266 HA VAL 51 HA VAL 51 -3.003 -6.113 3.728 267 HB VAL 51 HB VAL 51 -5.032 -6.127 1.493 268 1HG1 VAL 51 1HG1 VAL 51 -6.167 -4.938 3.045 269 2HG1 VAL 51 2HG1 VAL 51 -5.103 -3.637 2.507 270 3HG1 VAL 51 3HG1 VAL 51 -4.715 -4.549 3.967 271 1HG2 VAL 51 1HG2 VAL 51 -2.856 -5.595 0.608 272 2HG2 VAL 51 2HG2 VAL 51 -2.571 -4.440 1.907 273 3HG2 VAL 51 3HG2 VAL 51 -3.814 -4.118 0.701 274 H LYS 52 H LYS 52 -3.994 -6.617 5.543 275 HA LYS 52 HA LYS 52 -5.911 -8.793 5.603 276 1HB LYS 52 2HB LYS 52 -4.212 -8.917 7.273 277 2HB LYS 52 1HB LYS 52 -4.462 -7.244 7.742 278 1HG LYS 52 2HG LYS 52 -5.654 -8.090 9.420 279 2HG LYS 52 1HG LYS 52 -6.922 -8.332 8.218 280 1HD LYS 52 2HD LYS 52 -6.662 -10.570 8.212 281 2HD LYS 52 1HD LYS 52 -4.905 -10.465 8.326 282 1HE LYS 52 2HE LYS 52 -4.922 -10.400 10.623 283 2HE LYS 52 1HE LYS 52 -6.547 -9.720 10.697 284 1HZ LYS 52 1HZ LYS 52 -6.682 -11.947 11.435 285 2HZ LYS 52 2HZ LYS 52 -5.792 -12.529 10.120 286 3HZ LYS 52 3HZ LYS 52 -7.353 -11.925 9.882 287 H ASN 53 H ASN 53 -5.770 -5.359 6.066 288 HA ASN 53 HA ASN 53 -8.601 -5.100 5.762 289 1HB ASN 53 2HB ASN 53 -9.072 -4.061 7.937 290 2HB ASN 53 1HB ASN 53 -8.538 -5.728 8.132 291 1HD2 ASN 53 1HD2 ASN 53 -6.432 -6.130 8.904 292 2HD2 ASN 53 2HD2 ASN 53 -5.575 -4.933 9.820 293 H ILE 54 H ILE 54 -9.292 -2.914 5.532 294 HA ILE 54 HA ILE 54 -7.117 -0.946 5.323 295 HB ILE 54 HB ILE 54 -9.346 -1.276 3.321 296 1HG1 ILE 54 2HG1 ILE 54 -6.772 -2.604 3.567 297 2HG1 ILE 54 1HG1 ILE 54 -8.107 -2.946 2.472 298 1HG2 ILE 54 1HG2 ILE 54 -6.901 0.487 3.242 299 2HG2 ILE 54 2HG2 ILE 54 -8.535 1.029 3.619 300 3HG2 ILE 54 3HG2 ILE 54 -8.164 0.392 2.017 301 1HD1 ILE 54 1HD1 ILE 54 -6.165 -2.495 1.176 302 2HD1 ILE 54 2HD1 ILE 54 -5.856 -0.997 2.055 303 3HD1 ILE 54 3HD1 ILE 54 -7.262 -1.125 0.998 304 H ARG 55 H ARG 55 -7.565 1.020 6.140 305 HA ARG 55 HA ARG 55 -9.878 1.425 7.702 306 1HB ARG 55 2HB ARG 55 -7.606 3.179 6.834 307 2HB ARG 55 1HB ARG 55 -8.981 3.873 7.680 308 1HG ARG 55 2HG ARG 55 -8.432 1.809 9.311 309 2HG ARG 55 1HG ARG 55 -6.819 2.140 8.675 310 1HD ARG 55 2HD ARG 55 -6.627 3.875 10.045 311 2HD ARG 55 1HD ARG 55 -8.044 4.624 9.310 312 HE ARG 55 HE ARG 55 -9.290 3.977 11.122 313 1HH1 ARG 55 1HH1 ARG 55 -6.253 2.257 11.159 314 2HH1 ARG 55 2HH1 ARG 55 -6.504 1.596 12.738 315 1HH2 ARG 55 1HH2 ARG 55 -9.621 3.108 13.201 316 2HH2 ARG 55 2HH2 ARG 55 -8.415 2.079 13.898 317 HA PRO 56 HA PRO 56 -12.747 2.662 4.511 318 1HB PRO 56 2HB PRO 56 -14.126 4.003 6.771 319 2HB PRO 56 1HB PRO 56 -14.747 2.818 5.616 320 1HG PRO 56 2HG PRO 56 -14.221 2.128 8.138 321 2HG PRO 56 1HG PRO 56 -13.887 1.021 6.794 322 1HD PRO 56 2HD PRO 56 -11.994 2.717 8.370 323 2HD PRO 56 1HD PRO 56 -11.781 1.070 7.744 324 H ALA 57 H ALA 57 -12.095 4.246 3.201 325 HA ALA 57 HA ALA 57 -12.073 6.394 2.370 326 1HB ALA 57 1HB ALA 57 -13.513 6.846 4.607 327 2HB ALA 57 2HB ALA 57 -13.011 8.106 3.481 328 3HB ALA 57 3HB ALA 57 -12.076 7.810 4.946 329 H GLY 58 H GLY 58 -10.005 5.098 4.739 330 1HA GLY 58 2HA GLY 58 -8.049 7.102 4.945 331 2HA GLY 58 1HA GLY 58 -7.770 5.381 5.171 332 HA PRO 59 HA PRO 59 -5.447 7.020 1.389 333 1HB PRO 59 2HB PRO 59 -3.129 5.680 2.090 334 2HB PRO 59 1HB PRO 59 -3.459 7.379 2.440 335 1HG PRO 59 2HG PRO 59 -3.733 4.990 4.209 336 2HG PRO 59 1HG PRO 59 -3.154 6.617 4.603 337 1HD PRO 59 2HD PRO 59 -5.623 5.799 5.273 338 2HD PRO 59 1HD PRO 59 -5.299 7.475 4.779 339 H GLY 60 H GLY 60 -5.659 3.891 3.004 340 1HA GLY 60 2HA GLY 60 -4.859 2.291 0.819 341 2HA GLY 60 1HA GLY 60 -5.831 1.754 2.180 342 H ASP 61 H ASP 61 -8.017 3.529 1.802 343 HA ASP 61 HA ASP 61 -9.456 2.074 -0.191 344 1HB ASP 61 2HB ASP 61 -10.110 3.627 2.062 345 2HB ASP 61 1HB ASP 61 -10.824 4.464 0.687 346 H LEU 62 H LEU 62 -7.919 5.198 0.038 347 HA LEU 62 HA LEU 62 -9.063 6.248 -2.357 348 1HB LEU 62 2HB LEU 62 -6.628 7.114 -0.800 349 2HB LEU 62 1HB LEU 62 -7.354 8.021 -2.113 350 HG LEU 62 HG LEU 62 -8.767 7.352 0.468 351 1HD1 LEU 62 1HD1 LEU 62 -6.963 8.831 0.986 352 2HD1 LEU 62 2HD1 LEU 62 -8.452 9.775 0.959 353 3HD1 LEU 62 3HD1 LEU 62 -7.333 9.854 -0.403 354 1HD2 LEU 62 1HD2 LEU 62 -10.185 9.334 -0.426 355 2HD2 LEU 62 2HD2 LEU 62 -10.446 7.717 -1.080 356 3HD2 LEU 62 3HD2 LEU 62 -9.495 8.891 -1.987 357 H GLY 63 H GLY 63 -6.134 4.505 -1.524 358 1HA GLY 63 2HA GLY 63 -4.798 4.901 -4.003 359 2HA GLY 63 1HA GLY 63 -4.427 3.659 -2.814 360 H GLY 64 H GLY 64 -6.441 2.000 -2.717 361 1HA GLY 64 2HA GLY 64 -8.109 1.007 -4.308 362 2HA GLY 64 1HA GLY 64 -6.847 1.159 -5.522 363 H LEU 65 H LEU 65 -6.593 0.053 -2.157 364 HA LEU 65 HA LEU 65 -5.461 -2.460 -3.175 365 1HB LEU 65 2HB LEU 65 -5.272 -1.487 -0.341 366 2HB LEU 65 1HB LEU 65 -4.271 -2.674 -1.151 367 HG LEU 65 HG LEU 65 -3.943 -0.282 -2.593 368 1HD1 LEU 65 1HD1 LEU 65 -3.240 1.315 -0.938 369 2HD1 LEU 65 2HD1 LEU 65 -3.633 0.193 0.364 370 3HD1 LEU 65 3HD1 LEU 65 -4.918 0.869 -0.636 371 1HD2 LEU 65 1HD2 LEU 65 -2.120 -1.521 -0.538 372 2HD2 LEU 65 2HD2 LEU 65 -1.651 -0.466 -1.871 373 3HD2 LEU 65 3HD2 LEU 65 -2.287 -2.076 -2.203 374 H LYS 66 H LYS 66 -6.629 -4.249 -3.032 375 HA LYS 66 HA LYS 66 -8.930 -4.284 -1.204 376 1HB LYS 66 2HB LYS 66 -8.458 -5.300 -3.917 377 2HB LYS 66 1HB LYS 66 -9.257 -6.452 -2.857 378 1HG LYS 66 2HG LYS 66 -11.186 -5.352 -2.952 379 2HG LYS 66 1HG LYS 66 -10.407 -3.797 -2.651 380 1HD LYS 66 2HD LYS 66 -9.868 -4.873 -5.314 381 2HD LYS 66 1HD LYS 66 -11.582 -4.576 -5.011 382 1HE LYS 66 2HE LYS 66 -9.736 -2.447 -4.147 383 2HE LYS 66 1HE LYS 66 -9.853 -2.696 -5.888 384 1HZ LYS 66 1HZ LYS 66 -12.081 -2.098 -4.019 385 2HZ LYS 66 2HZ LYS 66 -12.295 -2.508 -5.646 386 3HZ LYS 66 3HZ LYS 66 -11.470 -1.090 -5.233 387 HA PRO 67 HA PRO 67 -7.512 -7.482 1.456 388 1HB PRO 67 2HB PRO 67 -9.383 -9.516 0.902 389 2HB PRO 67 1HB PRO 67 -9.515 -8.276 2.151 390 1HG PRO 67 2HG PRO 67 -10.716 -8.360 -0.570 391 2HG PRO 67 1HG PRO 67 -11.370 -7.674 0.928 392 1HD PRO 67 2HD PRO 67 -10.392 -6.103 -1.004 393 2HD PRO 67 1HD PRO 67 -10.137 -5.713 0.711 394 H TYR 68 H TYR 68 -5.979 -9.001 1.339 395 HA TYR 68 HA TYR 68 -4.774 -10.810 0.606 396 1HB TYR 68 2HB TYR 68 -6.481 -10.840 -1.890 397 2HB TYR 68 1HB TYR 68 -5.383 -12.100 -1.339 398 HD1 TYR 68 1HD TYR 68 -5.903 -13.020 1.086 399 HD2 TYR 68 2HD TYR 68 -8.737 -11.079 -1.423 400 HE1 TYR 68 1HE TYR 68 -7.729 -14.081 2.341 401 HE2 TYR 68 2HE TYR 68 -10.572 -12.136 -0.175 402 HH TYR 68 HH TYR 68 -10.049 -14.672 2.070 403 H ASP 69 H ASP 69 -5.019 -7.808 -0.651 404 HA ASP 69 HA ASP 69 -3.512 -7.733 -2.963 405 1HB ASP 69 2HB ASP 69 -4.200 -5.850 -0.816 406 2HB ASP 69 1HB ASP 69 -2.696 -5.467 -1.647 407 H ARG 70 H ARG 70 -1.891 -9.293 -2.868 408 HA ARG 70 HA ARG 70 0.118 -9.258 -0.829 409 1HB ARG 70 2HB ARG 70 -0.492 -11.334 -1.921 410 2HB ARG 70 1HB ARG 70 -0.024 -10.684 -3.485 411 1HG ARG 70 2HG ARG 70 2.281 -10.653 -2.866 412 2HG ARG 70 1HG ARG 70 1.889 -11.056 -1.193 413 1HD ARG 70 2HD ARG 70 2.665 -13.047 -2.243 414 2HD ARG 70 1HD ARG 70 0.921 -13.207 -2.032 415 HE ARG 70 HE ARG 70 1.239 -12.182 -4.551 416 1HH1 ARG 70 1HH1 ARG 70 2.363 -15.026 -2.869 417 2HH1 ARG 70 2HH1 ARG 70 2.433 -15.998 -4.300 418 1HH2 ARG 70 1HH2 ARG 70 1.330 -13.460 -6.435 419 2HH2 ARG 70 2HH2 ARG 70 1.847 -15.109 -6.325 420 H LEU 71 H LEU 71 1.331 -7.453 -0.742 421 HA LEU 71 HA LEU 71 2.088 -5.809 -2.852 422 1HB LEU 71 2HB LEU 71 3.667 -6.311 -0.332 423 2HB LEU 71 1HB LEU 71 3.750 -4.887 -1.352 424 HG LEU 71 HG LEU 71 1.040 -5.259 -0.496 425 1HD1 LEU 71 1HD1 LEU 71 3.109 -5.770 1.538 426 2HD1 LEU 71 2HD1 LEU 71 1.415 -6.256 1.490 427 3HD1 LEU 71 3HD1 LEU 71 1.848 -4.619 1.985 428 1HD2 LEU 71 1HD2 LEU 71 2.662 -3.196 -1.108 429 2HD2 LEU 71 2HD2 LEU 71 2.672 -3.096 0.652 430 3HD2 LEU 71 3HD2 LEU 71 1.144 -3.025 -0.224 431 H LEU 72 H LEU 72 3.274 -6.301 -4.589 432 HA LEU 72 HA LEU 72 5.085 -8.536 -4.529 433 1HB LEU 72 2HB LEU 72 4.449 -6.606 -6.754 434 2HB LEU 72 1HB LEU 72 5.446 -8.035 -6.918 435 HG LEU 72 HG LEU 72 2.509 -7.779 -6.829 436 1HD1 LEU 72 1HD1 LEU 72 2.586 -9.399 -8.499 437 2HD1 LEU 72 2HD1 LEU 72 4.154 -10.006 -7.967 438 3HD1 LEU 72 3HD1 LEU 72 4.044 -8.444 -8.774 439 1HD2 LEU 72 1HD2 LEU 72 3.728 -10.311 -5.772 440 2HD2 LEU 72 2HD2 LEU 72 2.032 -9.837 -5.809 441 3HD2 LEU 72 3HD2 LEU 72 3.144 -9.041 -4.699 442 H GLN 73 H GLN 73 5.504 -5.157 -5.609 443 HA GLN 73 HA GLN 73 8.173 -5.193 -4.375 444 1HB GLN 73 2HB GLN 73 8.981 -3.856 -6.362 445 2HB GLN 73 1HB GLN 73 8.645 -5.553 -6.672 446 1HG GLN 73 2HG GLN 73 6.921 -5.105 -8.055 447 2HG GLN 73 1HG GLN 73 6.419 -3.679 -7.148 448 1HE2 GLN 73 1HE2 GLN 73 9.501 -4.545 -8.664 449 2HE2 GLN 73 2HE2 GLN 73 9.583 -3.153 -9.695 450 H VAL 74 H VAL 74 8.066 -3.732 -2.807 451 HA VAL 74 HA VAL 74 6.414 -1.356 -3.101 452 HB VAL 74 HB VAL 74 8.128 -2.147 -0.744 453 1HG1 VAL 74 1HG1 VAL 74 6.021 -0.732 0.228 454 2HG1 VAL 74 2HG1 VAL 74 6.285 0.062 -1.324 455 3HG1 VAL 74 3HG1 VAL 74 7.601 -0.045 -0.154 456 1HG2 VAL 74 1HG2 VAL 74 6.558 -3.929 -1.172 457 2HG2 VAL 74 2HG2 VAL 74 5.231 -2.774 -1.307 458 3HG2 VAL 74 3HG2 VAL 74 6.033 -3.019 0.244 459 H ASN 75 H ASN 75 7.178 0.528 -3.780 460 HA ASN 75 HA ASN 75 8.641 2.079 -4.601 461 1HB ASN 75 2HB ASN 75 9.465 1.492 -1.809 462 2HB ASN 75 1HB ASN 75 10.568 2.465 -2.777 463 1HD2 ASN 75 1HD2 ASN 75 7.701 2.412 -0.969 464 2HD2 ASN 75 2HD2 ASN 75 7.202 4.045 -1.264 465 H HIS 76 H HIS 76 9.154 -0.465 -5.645 466 HA HIS 76 HA HIS 76 10.708 -1.250 -7.151 467 1HB HIS 76 2HB HIS 76 11.910 1.098 -6.543 468 2HB HIS 76 1HB HIS 76 13.087 -0.035 -5.887 469 HD1 HIS 76 1HD HIS 76 13.174 -2.211 -7.942 470 HD2 HIS 76 2HD HIS 76 12.885 1.808 -8.959 471 HE1 HIS 76 1HE HIS 76 14.037 -2.050 -10.299 472 HE2 HIS 76 2HE HIS 76 13.766 0.376 -10.924 473 H VAL 77 H VAL 77 11.066 -1.326 -3.724 474 HA VAL 77 HA VAL 77 12.978 -3.486 -3.713 475 HB VAL 77 HB VAL 77 11.292 -2.503 -1.408 476 1HG1 VAL 77 1HG1 VAL 77 12.201 -4.376 -0.533 477 2HG1 VAL 77 2HG1 VAL 77 13.608 -3.334 -0.327 478 3HG1 VAL 77 3HG1 VAL 77 13.512 -4.423 -1.710 479 1HG2 VAL 77 1HG2 VAL 77 13.940 -1.519 -2.451 480 2HG2 VAL 77 2HG2 VAL 77 13.369 -1.199 -0.814 481 3HG2 VAL 77 3HG2 VAL 77 12.460 -0.595 -2.199 482 H ARG 78 H ARG 78 12.548 -5.602 -3.744 483 HA ARG 78 HA ARG 78 9.915 -6.542 -4.233 484 1HB ARG 78 2HB ARG 78 12.408 -8.106 -3.538 485 2HB ARG 78 1HB ARG 78 10.929 -8.781 -4.205 486 1HG ARG 78 2HG ARG 78 11.263 -7.311 -6.203 487 2HG ARG 78 1HG ARG 78 12.845 -6.888 -5.543 488 1HD ARG 78 2HD ARG 78 11.943 -9.703 -6.131 489 2HD ARG 78 1HD ARG 78 12.898 -8.716 -7.237 490 HE ARG 78 HE ARG 78 14.340 -8.673 -4.942 491 1HH1 ARG 78 1HH1 ARG 78 13.012 -11.240 -6.897 492 2HH1 ARG 78 2HH1 ARG 78 14.259 -12.369 -6.485 493 1HH2 ARG 78 1HH2 ARG 78 15.980 -10.157 -4.398 494 2HH2 ARG 78 2HH2 ARG 78 15.943 -11.755 -5.065 495 H THR 79 H THR 79 8.430 -7.438 -2.909 496 HA THR 79 HA THR 79 9.173 -8.159 -0.183 497 HB THR 79 HB THR 79 7.468 -6.805 0.843 498 HG1 THR 79 1HG THR 79 6.788 -6.145 -1.819 499 1HG2 THR 79 1HG2 THR 79 8.266 -4.602 0.525 500 2HG2 THR 79 2HG2 THR 79 8.857 -4.978 -1.094 501 3HG2 THR 79 3HG2 THR 79 9.645 -5.683 0.318 502 H ARG 80 H ARG 80 8.315 -9.617 -2.572 503 HA ARG 80 HA ARG 80 5.595 -10.412 -2.230 504 1HB ARG 80 2HB ARG 80 7.892 -11.650 -3.748 505 2HB ARG 80 1HB ARG 80 6.254 -12.288 -3.779 506 1HG ARG 80 2HG ARG 80 5.433 -10.494 -4.980 507 2HG ARG 80 1HG ARG 80 6.749 -9.432 -4.487 508 1HD ARG 80 2HD ARG 80 6.699 -10.357 -6.908 509 2HD ARG 80 1HD ARG 80 8.225 -10.317 -6.029 510 HE ARG 80 HE ARG 80 6.658 -12.682 -6.718 511 1HH1 ARG 80 1HH1 ARG 80 9.449 -11.337 -5.097 512 2HH1 ARG 80 2HH1 ARG 80 10.277 -12.854 -5.008 513 1HH2 ARG 80 1HH2 ARG 80 7.752 -14.671 -6.595 514 2HH2 ARG 80 2HH2 ARG 80 9.316 -14.743 -5.855 515 H ASP 81 H ASP 81 8.698 -12.026 -1.545 516 HA ASP 81 HA ASP 81 7.308 -14.003 0.091 517 1HB ASP 81 2HB ASP 81 9.743 -13.960 -1.454 518 2HB ASP 81 1HB ASP 81 10.091 -14.456 0.201 519 H PHE 82 H PHE 82 7.753 -11.098 0.845 520 HA PHE 82 HA PHE 82 9.569 -11.200 3.076 521 1HB PHE 82 2HB PHE 82 7.830 -9.142 1.806 522 2HB PHE 82 1HB PHE 82 8.270 -8.904 3.493 523 HD1 PHE 82 1HD PHE 82 9.665 -7.035 3.307 524 HD2 PHE 82 2HD PHE 82 10.377 -10.452 0.875 525 HE1 PHE 82 1HE PHE 82 11.821 -6.081 2.606 526 HE2 PHE 82 2HE PHE 82 12.536 -9.506 0.171 527 HZ PHE 82 HZ PHE 82 13.262 -7.317 1.036 528 H ASP 83 H ASP 83 8.741 -10.388 5.244 529 HA ASP 83 HA ASP 83 6.286 -11.864 5.918 530 1HB ASP 83 2HB ASP 83 8.808 -11.302 7.457 531 2HB ASP 83 1HB ASP 83 7.313 -11.691 8.302 532 H CYS 84 H CYS 84 4.916 -10.936 7.599 533 HA CYS 84 HA CYS 84 4.124 -8.345 7.101 534 1HB CYS 84 2HB CYS 84 2.960 -8.481 9.341 535 2HB CYS 84 1HB CYS 84 2.622 -9.810 8.238 536 HG CYS 84 HG CYS 84 4.415 -10.057 10.765 537 H CYS 85 H CYS 85 6.433 -9.527 9.484 538 HA CYS 85 HA CYS 85 6.784 -7.087 10.835 539 1HB CYS 85 2HB CYS 85 7.536 -9.583 11.392 540 2HB CYS 85 1HB CYS 85 9.043 -9.016 10.678 541 HG CYS 85 HG CYS 85 8.265 -8.512 13.455 542 H LEU 86 H LEU 86 7.922 -8.253 7.813 543 HA LEU 86 HA LEU 86 10.103 -6.320 7.678 544 1HB LEU 86 2HB LEU 86 9.534 -8.826 6.454 545 2HB LEU 86 1HB LEU 86 9.635 -7.627 5.180 546 HG LEU 86 HG LEU 86 11.873 -6.959 6.042 547 1HD1 LEU 86 1HD1 LEU 86 11.480 -7.766 8.364 548 2HD1 LEU 86 2HD1 LEU 86 13.008 -8.301 7.663 549 3HD1 LEU 86 3HD1 LEU 86 11.647 -9.417 7.766 550 1HD2 LEU 86 1HD2 LEU 86 12.246 -9.828 5.603 551 2HD2 LEU 86 2HD2 LEU 86 12.836 -8.448 4.674 552 3HD2 LEU 86 3HD2 LEU 86 11.196 -9.047 4.420 553 H VAL 87 H VAL 87 6.887 -6.873 6.436 554 HA VAL 87 HA VAL 87 6.996 -4.786 4.479 555 HB VAL 87 HB VAL 87 4.648 -6.307 5.628 556 1HG1 VAL 87 1HG1 VAL 87 3.549 -5.456 3.463 557 2HG1 VAL 87 2HG1 VAL 87 4.815 -4.228 3.468 558 3HG1 VAL 87 3HG1 VAL 87 3.685 -4.335 4.818 559 1HG2 VAL 87 1HG2 VAL 87 5.657 -6.619 2.844 560 2HG2 VAL 87 2HG2 VAL 87 4.852 -7.785 3.893 561 3HG2 VAL 87 3HG2 VAL 87 6.548 -7.386 4.159 562 H VAL 88 H VAL 88 5.885 -5.091 7.814 563 HA VAL 88 HA VAL 88 4.411 -2.750 8.030 564 HB VAL 88 HB VAL 88 6.147 -4.068 10.121 565 1HG1 VAL 88 1HG1 VAL 88 5.809 -2.209 11.319 566 2HG1 VAL 88 2HG1 VAL 88 4.136 -2.752 11.454 567 3HG1 VAL 88 3HG1 VAL 88 4.592 -1.603 10.196 568 1HG2 VAL 88 1HG2 VAL 88 3.231 -4.237 10.324 569 2HG2 VAL 88 2HG2 VAL 88 4.459 -5.488 10.526 570 3HG2 VAL 88 3HG2 VAL 88 3.909 -5.048 8.910 571 HA PRO 89 HA PRO 89 8.503 -0.411 9.170 572 1HB PRO 89 2HB PRO 89 10.837 -1.581 8.414 573 2HB PRO 89 1HB PRO 89 10.110 -1.828 10.007 574 1HG PRO 89 2HG PRO 89 9.999 -3.582 7.583 575 2HG PRO 89 1HG PRO 89 10.261 -4.033 9.278 576 1HD PRO 89 2HD PRO 89 7.864 -4.307 8.072 577 2HD PRO 89 1HD PRO 89 8.016 -3.905 9.792 578 H LEU 90 H LEU 90 8.815 -2.503 6.293 579 HA LEU 90 HA LEU 90 10.077 -0.718 4.600 580 1HB LEU 90 2HB LEU 90 8.188 -2.991 4.161 581 2HB LEU 90 1HB LEU 90 8.652 -1.987 2.798 582 HG LEU 90 HG LEU 90 10.755 -3.212 4.545 583 1HD1 LEU 90 1HD1 LEU 90 10.453 -5.284 3.792 584 2HD1 LEU 90 2HD1 LEU 90 10.175 -4.731 2.140 585 3HD1 LEU 90 3HD1 LEU 90 8.843 -4.762 3.295 586 1HD2 LEU 90 1HD2 LEU 90 10.943 -1.451 2.533 587 2HD2 LEU 90 2HD2 LEU 90 11.008 -2.954 1.614 588 3HD2 LEU 90 3HD2 LEU 90 12.187 -2.648 2.889 589 H ILE 91 H ILE 91 6.727 -0.943 5.552 590 HA ILE 91 HA ILE 91 5.791 0.982 3.632 591 HB ILE 91 HB ILE 91 4.475 -0.238 6.061 592 1HG1 ILE 91 2HG1 ILE 91 3.810 -0.671 3.149 593 2HG1 ILE 91 1HG1 ILE 91 4.998 -1.658 4.002 594 1HG2 ILE 91 1HG2 ILE 91 2.932 1.354 5.970 595 2HG2 ILE 91 2HG2 ILE 91 2.513 0.805 4.348 596 3HG2 ILE 91 3HG2 ILE 91 3.705 2.084 4.564 597 1HD1 ILE 91 1HD1 ILE 91 2.787 -2.709 3.892 598 2HD1 ILE 91 2HD1 ILE 91 2.110 -1.353 4.794 599 3HD1 ILE 91 3HD1 ILE 91 3.304 -2.409 5.551 600 H ALA 92 H ALA 92 6.571 0.968 7.078 601 HA ALA 92 HA ALA 92 5.793 3.647 7.538 602 1HB ALA 92 1HB ALA 92 5.777 2.158 9.381 603 2HB ALA 92 2HB ALA 92 7.040 3.349 9.692 604 3HB ALA 92 3HB ALA 92 7.470 1.733 9.133 605 H GLU 93 H GLU 93 8.394 2.453 5.833 606 HA GLU 93 HA GLU 93 10.185 4.621 6.647 607 1HB GLU 93 2HB GLU 93 11.874 3.481 5.248 608 2HB GLU 93 1HB GLU 93 11.222 2.444 6.509 609 1HG GLU 93 2HG GLU 93 10.083 1.120 5.025 610 2HG GLU 93 1HG GLU 93 10.015 2.373 3.789 611 H SER 94 H SER 94 7.750 4.201 4.450 612 HA SER 94 HA SER 94 8.835 5.288 2.094 613 1HB SER 94 2HB SER 94 6.445 5.860 1.546 614 2HB SER 94 1HB SER 94 6.712 4.173 1.982 615 HG SER 94 HG SER 94 5.842 4.562 3.983 616 H GLY 95 H GLY 95 7.670 6.704 5.018 617 1HA GLY 95 2HA GLY 95 8.348 8.835 5.794 618 2HA GLY 95 1HA GLY 95 8.680 9.305 4.135 619 H ASN 96 H ASN 96 6.338 8.784 2.857 620 HA ASN 96 HA ASN 96 4.059 9.751 4.271 621 1HB ASN 96 2HB ASN 96 3.821 11.903 3.113 622 2HB ASN 96 1HB ASN 96 5.286 11.866 4.093 623 1HD2 ASN 96 1HD2 ASN 96 7.306 11.577 3.033 624 2HD2 ASN 96 2HD2 ASN 96 7.501 12.050 1.377 625 H LYS 97 H LYS 97 5.642 9.293 1.146 626 HA LYS 97 HA LYS 97 3.045 8.506 0.008 627 1HB LYS 97 2HB LYS 97 5.384 9.942 -1.098 628 2HB LYS 97 1HB LYS 97 4.640 8.759 -2.166 629 1HG LYS 97 2HG LYS 97 2.488 9.875 -1.917 630 2HG LYS 97 1HG LYS 97 3.220 11.053 -0.827 631 1HD LYS 97 2HD LYS 97 3.412 12.254 -2.737 632 2HD LYS 97 1HD LYS 97 4.880 11.293 -2.920 633 1HE LYS 97 2HE LYS 97 3.974 9.964 -4.550 634 2HE LYS 97 1HE LYS 97 2.324 10.190 -3.970 635 1HZ LYS 97 1HZ LYS 97 2.061 12.061 -5.176 636 2HZ LYS 97 2HZ LYS 97 3.267 11.372 -6.140 637 3HZ LYS 97 3HZ LYS 97 3.669 12.556 -5.002 638 H LEU 98 H LEU 98 2.794 6.382 -0.005 639 HA LEU 98 HA LEU 98 5.164 4.678 -0.281 640 1HB LEU 98 2HB LEU 98 3.040 4.590 1.490 641 2HB LEU 98 1HB LEU 98 2.650 3.332 0.339 642 HG LEU 98 HG LEU 98 4.904 3.478 2.297 643 1HD1 LEU 98 1HD1 LEU 98 4.257 1.176 2.671 644 2HD1 LEU 98 2HD1 LEU 98 3.131 1.243 1.320 645 3HD1 LEU 98 3HD1 LEU 98 2.842 2.222 2.757 646 1HD2 LEU 98 1HD2 LEU 98 5.003 2.135 -0.393 647 2HD2 LEU 98 2HD2 LEU 98 5.916 1.526 0.986 648 3HD2 LEU 98 3HD2 LEU 98 6.219 3.152 0.378 649 H ASP 99 H ASP 99 5.498 4.483 -2.447 650 HA ASP 99 HA ASP 99 3.251 3.711 -4.159 651 1HB ASP 99 2HB ASP 99 5.148 5.482 -4.708 652 2HB ASP 99 1HB ASP 99 6.033 4.044 -5.206 653 H LEU 100 H LEU 100 2.859 1.610 -4.451 654 HA LEU 100 HA LEU 100 5.107 -0.239 -4.690 655 1HB LEU 100 2HB LEU 100 3.805 -1.843 -3.163 656 2HB LEU 100 1HB LEU 100 4.745 -0.560 -2.424 657 HG LEU 100 HG LEU 100 2.437 0.730 -2.515 658 1HD1 LEU 100 1HD1 LEU 100 1.603 -1.606 -3.607 659 2HD1 LEU 100 2HD1 LEU 100 0.560 -0.478 -2.742 660 3HD1 LEU 100 3HD1 LEU 100 1.233 -1.874 -1.903 661 1HD2 LEU 100 1HD2 LEU 100 1.931 -0.319 -0.245 662 2HD2 LEU 100 2HD2 LEU 100 3.511 0.435 -0.455 663 3HD2 LEU 100 3HD2 LEU 100 3.357 -1.320 -0.525 664 H VAL 101 H VAL 101 4.434 -2.406 -5.395 665 HA VAL 101 HA VAL 101 2.001 -2.310 -7.058 666 HB VAL 101 HB VAL 101 4.527 -3.841 -7.691 667 1HG1 VAL 101 1HG1 VAL 101 1.923 -4.138 -8.631 668 2HG1 VAL 101 2HG1 VAL 101 3.394 -4.797 -9.348 669 3HG1 VAL 101 3HG1 VAL 101 2.763 -3.246 -9.900 670 1HG2 VAL 101 1HG2 VAL 101 5.150 -1.584 -7.911 671 2HG2 VAL 101 2HG2 VAL 101 3.591 -1.135 -8.606 672 3HG2 VAL 101 3HG2 VAL 101 4.729 -2.104 -9.543 673 H ILE 102 H ILE 102 0.533 -3.565 -6.100 674 HA ILE 102 HA ILE 102 1.403 -6.020 -4.737 675 HB ILE 102 HB ILE 102 -0.788 -6.030 -3.678 676 1HG1 ILE 102 2HG1 ILE 102 -2.125 -3.773 -4.112 677 2HG1 ILE 102 1HG1 ILE 102 -1.318 -3.873 -5.674 678 1HG2 ILE 102 1HG2 ILE 102 -0.350 -3.258 -3.096 679 2HG2 ILE 102 2HG2 ILE 102 1.200 -4.077 -3.284 680 3HG2 ILE 102 3HG2 ILE 102 0.024 -4.676 -2.114 681 1HD1 ILE 102 1HD1 ILE 102 -2.454 -5.758 -6.293 682 2HD1 ILE 102 2HD1 ILE 102 -3.672 -4.928 -5.325 683 3HD1 ILE 102 3HD1 ILE 102 -2.751 -6.262 -4.629 684 H SER 103 H SER 103 -0.190 -7.877 -4.904 685 HA SER 103 HA SER 103 -1.546 -8.060 -7.477 686 1HB SER 103 2HB SER 103 1.001 -8.932 -7.415 687 2HB SER 103 1HB SER 103 0.186 -10.385 -6.838 688 HG SER 103 HG SER 103 0.420 -10.239 -9.161 689 H ARG 104 H ARG 104 -3.430 -9.103 -7.266 690 HA ARG 104 HA ARG 104 -3.716 -11.191 -5.250 691 1HB ARG 104 2HB ARG 104 -5.723 -10.185 -4.277 692 2HB ARG 104 1HB ARG 104 -4.324 -9.146 -4.055 693 1HG ARG 104 2HG ARG 104 -5.301 -7.469 -5.127 694 2HG ARG 104 1HG ARG 104 -5.706 -8.499 -6.500 695 1HD ARG 104 2HD ARG 104 -7.481 -9.340 -4.592 696 2HD ARG 104 1HD ARG 104 -7.360 -7.614 -4.256 697 HE ARG 104 HE ARG 104 -7.714 -7.689 -6.932 698 1HH1 ARG 104 1HH1 ARG 104 -9.441 -9.132 -4.264 699 2HH1 ARG 104 2HH1 ARG 104 -10.968 -9.113 -5.079 700 1HH2 ARG 104 1HH2 ARG 104 -9.722 -7.664 -8.006 701 2HH2 ARG 104 2HH2 ARG 104 -11.129 -8.280 -7.203 702 H ASN 105 H ASN 105 -5.399 -12.630 -5.630 703 HA ASN 105 HA ASN 105 -6.118 -13.044 -8.312 704 1HB ASN 105 2HB ASN 105 -7.410 -14.186 -5.825 705 2HB ASN 105 1HB ASN 105 -7.552 -14.838 -7.455 706 1HD2 ASN 105 1HD2 ASN 105 -5.536 -14.484 -4.670 707 2HD2 ASN 105 2HD2 ASN 105 -4.297 -15.589 -5.168 708 HA PRO 106 HA PRO 106 -9.563 -10.374 -9.043 709 1HB PRO 106 2HB PRO 106 -10.793 -12.751 -10.351 710 2HB PRO 106 1HB PRO 106 -10.547 -11.119 -10.983 711 1HG PRO 106 2HG PRO 106 -8.992 -13.128 -11.777 712 2HG PRO 106 1HG PRO 106 -8.319 -11.511 -11.498 713 1HD PRO 106 2HD PRO 106 -8.136 -13.960 -9.802 714 2HD PRO 106 1HD PRO 106 -6.929 -12.689 -10.084 Start of MODEL 20 1 1H SER 16 1HT SER 16 -7.622 -15.693 -14.323 2 2H SER 16 2HT SER 16 -9.126 -16.505 -14.174 3 3H SER 16 3HT SER 16 -7.880 -16.784 -13.026 4 HA SER 16 HA SER 16 -8.111 -14.171 -12.840 5 1HB SER 16 2HB SER 16 -10.981 -14.812 -12.835 6 2HB SER 16 1HB SER 16 -10.147 -13.381 -13.439 7 HG SER 16 HG SER 16 -10.997 -15.604 -14.780 8 HA PRO 17 HA PRO 17 -10.290 -16.235 -9.132 9 1HB PRO 17 2HB PRO 17 -11.344 -18.683 -9.325 10 2HB PRO 17 1HB PRO 17 -12.196 -17.269 -9.954 11 1HG PRO 17 2HG PRO 17 -10.617 -19.338 -11.421 12 2HG PRO 17 1HG PRO 17 -12.139 -18.555 -11.879 13 1HD PRO 17 2HD PRO 17 -9.631 -17.834 -12.816 14 2HD PRO 17 1HD PRO 17 -11.063 -16.786 -12.832 15 H THR 18 H THR 18 -7.603 -16.457 -9.699 16 HA THR 18 HA THR 18 -6.674 -18.203 -7.764 17 HB THR 18 HB THR 18 -6.761 -19.345 -10.521 18 HG1 THR 18 1HG THR 18 -7.827 -20.761 -9.439 19 1HG2 THR 18 1HG2 THR 18 -4.411 -19.540 -8.734 20 2HG2 THR 18 2HG2 THR 18 -4.517 -19.640 -10.492 21 3HG2 THR 18 3HG2 THR 18 -4.983 -21.022 -9.501 22 HA PRO 19 HA PRO 19 -2.867 -16.506 -10.173 23 1HB PRO 19 2HB PRO 19 -3.276 -15.313 -12.572 24 2HB PRO 19 1HB PRO 19 -2.997 -17.050 -12.407 25 1HG PRO 19 2HG PRO 19 -5.581 -15.572 -12.733 26 2HG PRO 19 1HG PRO 19 -5.037 -17.060 -13.528 27 1HD PRO 19 2HD PRO 19 -6.733 -17.077 -11.420 28 2HD PRO 19 1HD PRO 19 -5.554 -18.373 -11.703 29 H VAL 20 H VAL 20 -2.646 -14.886 -8.712 30 HA VAL 20 HA VAL 20 -4.237 -12.743 -8.186 31 HB VAL 20 HB VAL 20 -2.265 -11.569 -7.323 32 1HG1 VAL 20 1HG1 VAL 20 -2.059 -14.512 -6.728 33 2HG1 VAL 20 2HG1 VAL 20 -3.328 -13.466 -6.090 34 3HG1 VAL 20 3HG1 VAL 20 -1.642 -13.167 -5.668 35 1HG2 VAL 20 1HG2 VAL 20 -0.088 -13.082 -7.557 36 2HG2 VAL 20 2HG2 VAL 20 -0.478 -11.807 -8.711 37 3HG2 VAL 20 3HG2 VAL 20 -0.857 -13.488 -9.091 38 H GLU 21 H GLU 21 -3.983 -10.445 -8.658 39 HA GLU 21 HA GLU 21 -3.043 -9.937 -11.401 40 1HB GLU 21 2HB GLU 21 -5.686 -9.555 -10.231 41 2HB GLU 21 1HB GLU 21 -5.052 -8.075 -10.935 42 1HG GLU 21 2HG GLU 21 -4.486 -9.787 -12.916 43 2HG GLU 21 1HG GLU 21 -5.903 -10.583 -12.229 44 H LEU 22 H LEU 22 -1.516 -8.434 -11.501 45 HA LEU 22 HA LEU 22 -0.556 -7.056 -9.271 46 1HB LEU 22 2HB LEU 22 -0.109 -6.883 -12.209 47 2HB LEU 22 1HB LEU 22 0.510 -5.593 -11.195 48 HG LEU 22 HG LEU 22 1.202 -8.519 -10.976 49 1HD1 LEU 22 1HD1 LEU 22 3.442 -7.771 -11.642 50 2HD1 LEU 22 2HD1 LEU 22 2.828 -6.131 -11.847 51 3HD1 LEU 22 3HD1 LEU 22 2.240 -7.430 -12.885 52 1HD2 LEU 22 1HD2 LEU 22 1.720 -8.070 -8.856 53 2HD2 LEU 22 2HD2 LEU 22 1.407 -6.349 -9.072 54 3HD2 LEU 22 3HD2 LEU 22 2.990 -7.013 -9.469 55 H HIS 23 H HIS 23 -0.651 -4.911 -8.637 56 HA HIS 23 HA HIS 23 -2.441 -3.079 -9.996 57 1HB HIS 23 2HB HIS 23 -3.004 -4.192 -7.253 58 2HB HIS 23 1HB HIS 23 -3.636 -2.633 -7.769 59 HD1 HIS 23 1HD HIS 23 -4.321 -3.550 -10.723 60 HD2 HIS 23 2HD HIS 23 -5.419 -5.513 -7.228 61 HE1 HIS 23 1HE HIS 23 -6.350 -4.911 -11.325 62 HE2 HIS 23 2HE HIS 23 -7.034 -6.040 -9.180 63 H LYS 24 H LYS 24 -1.083 -1.404 -10.196 64 HA LYS 24 HA LYS 24 0.957 -0.790 -8.303 65 1HB LYS 24 2HB LYS 24 0.491 -0.129 -10.922 66 2HB LYS 24 1HB LYS 24 0.113 1.380 -10.101 67 1HG LYS 24 2HG LYS 24 2.455 0.694 -8.905 68 2HG LYS 24 1HG LYS 24 2.690 0.061 -10.535 69 1HD LYS 24 2HD LYS 24 2.364 2.187 -11.513 70 2HD LYS 24 1HD LYS 24 1.715 2.859 -10.017 71 1HE LYS 24 2HE LYS 24 3.913 3.691 -10.190 72 2HE LYS 24 1HE LYS 24 3.985 2.401 -8.989 73 1HZ LYS 24 1HZ LYS 24 5.813 2.392 -10.666 74 2HZ LYS 24 2HZ LYS 24 4.668 2.003 -11.848 75 3HZ LYS 24 3HZ LYS 24 4.951 0.940 -10.564 76 H VAL 25 H VAL 25 0.667 0.160 -6.389 77 HA VAL 25 HA VAL 25 -1.532 2.102 -6.127 78 HB VAL 25 HB VAL 25 -0.913 0.933 -3.579 79 1HG1 VAL 25 1HG1 VAL 25 -3.503 0.268 -4.706 80 2HG1 VAL 25 2HG1 VAL 25 -3.090 1.970 -4.919 81 3HG1 VAL 25 3HG1 VAL 25 -3.096 1.261 -3.306 82 1HG2 VAL 25 1HG2 VAL 25 -0.241 -1.013 -5.019 83 2HG2 VAL 25 2HG2 VAL 25 -1.911 -1.082 -5.583 84 3HG2 VAL 25 3HG2 VAL 25 -1.546 -1.340 -3.877 85 H THR 26 H THR 26 -1.165 3.927 -4.981 86 HA THR 26 HA THR 26 1.456 4.280 -3.708 87 HB THR 26 HB THR 26 0.159 6.208 -5.648 88 HG1 THR 26 1HG THR 26 1.947 5.762 -6.921 89 1HG2 THR 26 1HG2 THR 26 2.741 6.493 -4.130 90 2HG2 THR 26 2HG2 THR 26 1.279 7.453 -3.895 91 3HG2 THR 26 3HG2 THR 26 2.174 7.564 -5.412 92 H LEU 27 H LEU 27 0.877 4.534 -1.623 93 HA LEU 27 HA LEU 27 -1.510 6.114 -0.995 94 1HB LEU 27 2HB LEU 27 0.173 4.350 0.782 95 2HB LEU 27 1HB LEU 27 -1.305 5.165 1.259 96 HG LEU 27 HG LEU 27 -1.306 3.210 -1.018 97 1HD1 LEU 27 1HD1 LEU 27 -1.282 1.397 0.305 98 2HD1 LEU 27 2HD1 LEU 27 -2.155 2.207 1.606 99 3HD1 LEU 27 3HD1 LEU 27 -0.416 2.446 1.425 100 1HD2 LEU 27 1HD2 LEU 27 -3.529 3.591 0.912 101 2HD2 LEU 27 2HD2 LEU 27 -3.575 3.248 -0.818 102 3HD2 LEU 27 3HD2 LEU 27 -3.213 4.878 -0.250 103 H TYR 28 H TYR 28 -1.325 7.368 1.132 104 HA TYR 28 HA TYR 28 1.219 8.857 1.188 105 1HB TYR 28 2HB TYR 28 -1.426 10.147 1.810 106 2HB TYR 28 1HB TYR 28 0.096 10.912 1.365 107 HD1 TYR 28 1HD TYR 28 -2.890 11.027 0.199 108 HD2 TYR 28 2HD TYR 28 0.770 9.252 -1.046 109 HE1 TYR 28 1HE TYR 28 -3.639 11.138 -2.141 110 HE2 TYR 28 2HE TYR 28 0.032 9.359 -3.390 111 HH TYR 28 HH TYR 28 -3.154 9.958 -4.286 112 H LYS 29 H LYS 29 2.079 9.276 3.167 113 HA LYS 29 HA LYS 29 0.763 8.004 5.441 114 1HB LYS 29 2HB LYS 29 3.340 7.895 4.610 115 2HB LYS 29 1HB LYS 29 3.443 9.186 5.798 116 1HG LYS 29 2HG LYS 29 2.157 7.525 7.327 117 2HG LYS 29 1HG LYS 29 2.737 6.313 6.184 118 1HD LYS 29 2HD LYS 29 4.831 6.418 6.971 119 2HD LYS 29 1HD LYS 29 4.811 8.182 7.033 120 1HE LYS 29 2HE LYS 29 3.566 8.097 9.135 121 2HE LYS 29 1HE LYS 29 3.570 6.334 9.070 122 1HZ LYS 29 1HZ LYS 29 6.041 7.974 9.147 123 2HZ LYS 29 2HZ LYS 29 5.916 6.299 9.333 124 3HZ LYS 29 3HZ LYS 29 5.305 7.328 10.527 125 H ASP 30 H ASP 30 0.906 9.062 7.570 126 HA ASP 30 HA ASP 30 0.763 11.994 7.404 127 1HB ASP 30 2HB ASP 30 -1.245 10.101 8.601 128 2HB ASP 30 1HB ASP 30 -1.114 11.763 9.167 129 H SER 31 H SER 31 1.948 13.001 8.898 130 HA SER 31 HA SER 31 3.727 11.744 10.579 131 1HB SER 31 2HB SER 31 3.294 14.323 9.886 132 2HB SER 31 1HB SER 31 2.713 14.350 11.551 133 HG SER 31 HG SER 31 5.216 13.245 10.831 134 H GLY 32 H GLY 32 0.363 12.430 11.122 135 1HA GLY 32 2HA GLY 32 0.601 11.749 13.963 136 2HA GLY 32 1HA GLY 32 -0.826 12.407 13.175 137 H MET 33 H MET 33 0.931 9.757 11.763 138 HA MET 33 HA MET 33 -0.731 7.715 12.925 139 1HB MET 33 2HB MET 33 -1.311 8.852 10.243 140 2HB MET 33 1HB MET 33 -1.385 7.102 10.396 141 1HG MET 33 2HG MET 33 -2.770 8.306 12.588 142 2HG MET 33 1HG MET 33 -3.351 8.994 11.073 143 1HE MET 33 1HE MET 33 -3.039 5.592 9.279 144 2HE MET 33 2HE MET 33 -3.167 7.337 9.058 145 3HE MET 33 3HE MET 33 -4.616 6.333 9.010 146 H GLU 34 H GLU 34 0.148 5.703 12.709 147 HA GLU 34 HA GLU 34 2.749 5.587 11.389 148 1HB GLU 34 2HB GLU 34 2.957 3.410 12.676 149 2HB GLU 34 1HB GLU 34 2.887 4.879 13.640 150 1HG GLU 34 2HG GLU 34 0.681 4.460 14.317 151 2HG GLU 34 1HG GLU 34 0.446 3.237 13.070 152 H ASP 35 H ASP 35 -0.450 4.433 11.078 153 HA ASP 35 HA ASP 35 0.243 2.208 9.363 154 1HB ASP 35 2HB ASP 35 -1.900 2.682 10.972 155 2HB ASP 35 1HB ASP 35 -2.556 3.150 9.406 156 H PHE 36 H PHE 36 -0.998 2.071 7.207 157 HA PHE 36 HA PHE 36 -0.758 4.663 5.827 158 1HB PHE 36 2HB PHE 36 0.559 2.165 5.307 159 2HB PHE 36 1HB PHE 36 -0.458 2.586 3.930 160 HD1 PHE 36 1HD PHE 36 -0.232 5.006 3.039 161 HD2 PHE 36 2HD PHE 36 2.661 3.095 5.507 162 HE1 PHE 36 1HE PHE 36 1.476 6.598 2.265 163 HE2 PHE 36 2HE PHE 36 4.374 4.683 4.738 164 HZ PHE 36 HZ PHE 36 3.782 6.440 3.117 165 H GLY 37 H GLY 37 -3.124 3.274 7.048 166 1HA GLY 37 2HA GLY 37 -5.371 3.512 6.434 167 2HA GLY 37 1HA GLY 37 -4.873 3.658 4.756 168 H PHE 38 H PHE 38 -3.393 0.994 6.232 169 HA PHE 38 HA PHE 38 -5.465 -0.899 6.114 170 1HB PHE 38 2HB PHE 38 -5.151 -1.974 4.034 171 2HB PHE 38 1HB PHE 38 -5.274 -0.258 3.677 172 HD1 PHE 38 1HD PHE 38 -4.044 -2.634 2.075 173 HD2 PHE 38 2HD PHE 38 -2.390 0.448 4.500 174 HE1 PHE 38 1HE PHE 38 -1.949 -2.767 0.804 175 HE2 PHE 38 2HE PHE 38 -0.289 0.319 3.229 176 HZ PHE 38 HZ PHE 38 -0.070 -1.294 1.374 177 H SER 39 H SER 39 -4.862 -2.829 6.951 178 HA SER 39 HA SER 39 -2.058 -3.056 7.762 179 1HB SER 39 2HB SER 39 -4.619 -4.239 8.821 180 2HB SER 39 1HB SER 39 -3.047 -4.884 9.290 181 HG SER 39 HG SER 39 -2.520 -2.716 9.972 182 H VAL 40 H VAL 40 -0.970 -5.095 7.624 183 HA VAL 40 HA VAL 40 -1.977 -6.779 5.426 184 HB VAL 40 HB VAL 40 0.353 -7.290 4.876 185 1HG1 VAL 40 1HG1 VAL 40 0.998 -4.901 4.170 186 2HG1 VAL 40 2HG1 VAL 40 -0.544 -4.435 4.890 187 3HG1 VAL 40 3HG1 VAL 40 -0.505 -5.585 3.553 188 1HG2 VAL 40 1HG2 VAL 40 0.949 -6.465 7.404 189 2HG2 VAL 40 2HG2 VAL 40 1.484 -5.086 6.443 190 3HG2 VAL 40 3HG2 VAL 40 2.131 -6.694 6.114 191 H ALA 41 H ALA 41 -1.323 -9.041 5.472 192 HA ALA 41 HA ALA 41 -0.985 -10.048 8.221 193 1HB ALA 41 1HB ALA 41 -3.106 -10.489 6.444 194 2HB ALA 41 2HB ALA 41 -2.802 -11.303 7.979 195 3HB ALA 41 3HB ALA 41 -2.184 -11.993 6.478 196 H ASP 42 H ASP 42 -0.325 -12.525 8.045 197 HA ASP 42 HA ASP 42 2.159 -12.531 6.500 198 1HB ASP 42 2HB ASP 42 1.230 -13.838 8.998 199 2HB ASP 42 1HB ASP 42 2.373 -14.743 8.012 200 H GLY 43 H GLY 43 2.729 -14.167 5.090 201 1HA GLY 43 2HA GLY 43 0.471 -15.794 4.125 202 2HA GLY 43 1HA GLY 43 1.866 -15.322 3.166 203 H LEU 44 H LEU 44 0.447 -17.835 4.781 204 HA LEU 44 HA LEU 44 2.946 -19.139 5.509 205 1HB LEU 44 2HB LEU 44 0.479 -19.162 6.673 206 2HB LEU 44 1HB LEU 44 0.461 -20.667 5.775 207 HG LEU 44 HG LEU 44 2.794 -20.046 7.541 208 1HD1 LEU 44 1HD1 LEU 44 1.641 -21.135 9.412 209 2HD1 LEU 44 2HD1 LEU 44 0.151 -21.161 8.469 210 3HD1 LEU 44 3HD1 LEU 44 0.863 -19.620 8.949 211 1HD2 LEU 44 1HD2 LEU 44 3.153 -21.977 6.300 212 2HD2 LEU 44 2HD2 LEU 44 1.467 -22.485 6.420 213 3HD2 LEU 44 3HD2 LEU 44 2.524 -22.595 7.827 214 H LEU 45 H LEU 45 0.188 -19.642 3.412 215 HA LEU 45 HA LEU 45 1.390 -21.955 2.167 216 1HB LEU 45 2HB LEU 45 -1.232 -20.646 2.151 217 2HB LEU 45 1HB LEU 45 -0.765 -21.350 0.613 218 HG LEU 45 HG LEU 45 -2.030 -22.978 1.802 219 1HD1 LEU 45 1HD1 LEU 45 -0.595 -24.811 1.719 220 2HD1 LEU 45 2HD1 LEU 45 0.797 -23.860 2.238 221 3HD1 LEU 45 3HD1 LEU 45 0.135 -23.645 0.617 222 1HD2 LEU 45 1HD2 LEU 45 -1.248 -21.800 4.070 223 2HD2 LEU 45 2HD2 LEU 45 -0.161 -23.189 4.078 224 3HD2 LEU 45 3HD2 LEU 45 -1.906 -23.434 4.015 225 H GLU 46 H GLU 46 2.114 -18.817 1.851 226 HA GLU 46 HA GLU 46 3.125 -19.199 -0.834 227 1HB GLU 46 2HB GLU 46 1.355 -16.824 -0.251 228 2HB GLU 46 1HB GLU 46 2.126 -17.219 -1.781 229 1HG GLU 46 2HG GLU 46 0.757 -19.328 -1.800 230 2HG GLU 46 1HG GLU 46 -0.129 -18.669 -0.425 231 H LYS 47 H LYS 47 4.067 -18.689 1.986 232 HA LYS 47 HA LYS 47 5.353 -17.132 3.180 233 1HB LYS 47 2HB LYS 47 6.728 -18.405 0.908 234 2HB LYS 47 1HB LYS 47 7.584 -17.050 1.632 235 1HG LYS 47 2HG LYS 47 6.496 -18.980 3.553 236 2HG LYS 47 1HG LYS 47 7.748 -19.615 2.483 237 1HD LYS 47 2HD LYS 47 9.175 -18.749 3.987 238 2HD LYS 47 1HD LYS 47 8.810 -17.211 3.205 239 1HE LYS 47 2HE LYS 47 8.397 -16.652 5.383 240 2HE LYS 47 1HE LYS 47 6.795 -17.214 4.902 241 1HZ LYS 47 1HZ LYS 47 7.620 -19.473 5.758 242 2HZ LYS 47 2HZ LYS 47 7.173 -18.300 6.892 243 3HZ LYS 47 3HZ LYS 47 8.810 -18.581 6.567 244 H GLY 48 H GLY 48 4.073 -15.188 2.893 245 1HA GLY 48 2HA GLY 48 5.621 -13.045 1.837 246 2HA GLY 48 1HA GLY 48 4.248 -13.391 0.795 247 H VAL 49 H VAL 49 3.479 -11.254 1.286 248 HA VAL 49 HA VAL 49 1.892 -11.234 3.741 249 HB VAL 49 HB VAL 49 3.564 -8.856 2.920 250 1HG1 VAL 49 1HG1 VAL 49 1.238 -8.983 4.430 251 2HG1 VAL 49 2HG1 VAL 49 2.392 -7.651 4.380 252 3HG1 VAL 49 3HG1 VAL 49 2.533 -8.893 5.625 253 1HG2 VAL 49 1HG2 VAL 49 4.564 -9.464 5.298 254 2HG2 VAL 49 2HG2 VAL 49 5.203 -10.164 3.812 255 3HG2 VAL 49 3HG2 VAL 49 4.079 -11.087 4.808 256 H TYR 50 H TYR 50 -0.073 -10.269 3.534 257 HA TYR 50 HA TYR 50 -0.638 -8.759 1.080 258 1HB TYR 50 2HB TYR 50 -2.865 -10.474 1.905 259 2HB TYR 50 1HB TYR 50 -2.203 -10.186 0.301 260 HD1 TYR 50 1HD TYR 50 -2.757 -12.626 2.715 261 HD2 TYR 50 2HD TYR 50 0.206 -11.332 -0.051 262 HE1 TYR 50 1HE TYR 50 -1.768 -14.876 2.730 263 HE2 TYR 50 2HE TYR 50 1.202 -13.580 -0.043 264 HH TYR 50 HH TYR 50 1.287 -15.554 1.283 265 H VAL 51 H VAL 51 -2.861 -7.687 1.241 266 HA VAL 51 HA VAL 51 -2.935 -6.208 3.689 267 HB VAL 51 HB VAL 51 -4.861 -6.165 1.363 268 1HG1 VAL 51 1HG1 VAL 51 -5.875 -5.279 3.398 269 2HG1 VAL 51 2HG1 VAL 51 -5.565 -3.989 2.236 270 3HG1 VAL 51 3HG1 VAL 51 -4.497 -4.201 3.623 271 1HG2 VAL 51 1HG2 VAL 51 -2.456 -4.473 2.012 272 2HG2 VAL 51 2HG2 VAL 51 -3.635 -4.083 0.760 273 3HG2 VAL 51 3HG2 VAL 51 -2.663 -5.550 0.631 274 H LYS 52 H LYS 52 -3.970 -6.729 5.481 275 HA LYS 52 HA LYS 52 -5.918 -8.877 5.458 276 1HB LYS 52 2HB LYS 52 -5.756 -8.748 7.916 277 2HB LYS 52 1HB LYS 52 -4.185 -8.959 7.153 278 1HG LYS 52 2HG LYS 52 -3.408 -7.076 8.032 279 2HG LYS 52 1HG LYS 52 -4.825 -6.163 7.512 280 1HD LYS 52 2HD LYS 52 -5.204 -5.979 9.728 281 2HD LYS 52 1HD LYS 52 -5.880 -7.599 9.546 282 1HE LYS 52 2HE LYS 52 -3.234 -8.147 9.881 283 2HE LYS 52 1HE LYS 52 -3.426 -6.712 10.888 284 1HZ LYS 52 1HZ LYS 52 -3.907 -8.458 12.311 285 2HZ LYS 52 2HZ LYS 52 -4.762 -9.330 11.139 286 3HZ LYS 52 3HZ LYS 52 -5.445 -7.943 11.827 287 H ASN 53 H ASN 53 -5.762 -5.454 5.964 288 HA ASN 53 HA ASN 53 -8.600 -5.195 5.671 289 1HB ASN 53 2HB ASN 53 -7.330 -4.884 8.366 290 2HB ASN 53 1HB ASN 53 -8.701 -3.869 7.933 291 1HD2 ASN 53 1HD2 ASN 53 -7.648 -6.984 8.869 292 2HD2 ASN 53 2HD2 ASN 53 -9.207 -7.738 8.938 293 H ILE 54 H ILE 54 -9.301 -2.907 5.730 294 HA ILE 54 HA ILE 54 -7.105 -1.010 5.298 295 HB ILE 54 HB ILE 54 -9.505 -1.311 3.500 296 1HG1 ILE 54 2HG1 ILE 54 -6.933 -2.602 3.511 297 2HG1 ILE 54 1HG1 ILE 54 -8.291 -2.849 2.419 298 1HG2 ILE 54 1HG2 ILE 54 -8.650 1.031 3.872 299 2HG2 ILE 54 2HG2 ILE 54 -8.645 0.478 2.198 300 3HG2 ILE 54 3HG2 ILE 54 -7.142 0.514 3.117 301 1HD1 ILE 54 1HD1 ILE 54 -6.237 -0.679 2.071 302 2HD1 ILE 54 2HD1 ILE 54 -7.478 -1.181 0.923 303 3HD1 ILE 54 3HD1 ILE 54 -6.144 -2.268 1.312 304 H ARG 55 H ARG 55 -7.440 0.997 6.098 305 HA ARG 55 HA ARG 55 -9.476 1.414 7.991 306 1HB ARG 55 2HB ARG 55 -7.076 2.637 7.323 307 2HB ARG 55 1HB ARG 55 -8.279 3.875 6.995 308 1HG ARG 55 2HG ARG 55 -8.312 4.358 9.151 309 2HG ARG 55 1HG ARG 55 -8.971 2.753 9.473 310 1HD ARG 55 2HD ARG 55 -6.405 2.089 9.230 311 2HD ARG 55 1HD ARG 55 -6.194 3.764 9.740 312 HE ARG 55 HE ARG 55 -7.957 2.797 11.543 313 1HH1 ARG 55 1HH1 ARG 55 -4.853 1.671 10.415 314 2HH1 ARG 55 2HH1 ARG 55 -4.442 0.913 11.917 315 1HH2 ARG 55 1HH2 ARG 55 -7.421 1.796 13.518 316 2HH2 ARG 55 2HH2 ARG 55 -5.899 0.982 13.677 317 HA PRO 56 HA PRO 56 -12.833 2.544 5.251 318 1HB PRO 56 2HB PRO 56 -13.922 3.767 7.727 319 2HB PRO 56 1HB PRO 56 -14.654 2.580 6.642 320 1HG PRO 56 2HG PRO 56 -13.735 1.863 9.042 321 2HG PRO 56 1HG PRO 56 -13.556 0.798 7.634 322 1HD PRO 56 2HD PRO 56 -11.525 2.549 8.961 323 2HD PRO 56 1HD PRO 56 -11.338 0.925 8.268 324 H ALA 57 H ALA 57 -12.151 4.168 3.939 325 HA ALA 57 HA ALA 57 -12.209 6.314 3.124 326 1HB ALA 57 1HB ALA 57 -13.364 7.925 4.186 327 2HB ALA 57 2HB ALA 57 -12.488 7.703 5.702 328 3HB ALA 57 3HB ALA 57 -13.815 6.618 5.282 329 H GLY 58 H GLY 58 -9.902 4.853 4.219 330 1HA GLY 58 2HA GLY 58 -8.182 7.095 5.048 331 2HA GLY 58 1HA GLY 58 -7.820 5.394 5.297 332 HA PRO 59 HA PRO 59 -5.346 7.155 1.655 333 1HB PRO 59 2HB PRO 59 -3.525 5.131 2.874 334 2HB PRO 59 1HB PRO 59 -3.149 6.719 2.199 335 1HG PRO 59 2HG PRO 59 -3.221 6.348 4.836 336 2HG PRO 59 1HG PRO 59 -3.840 7.843 4.106 337 1HD PRO 59 2HD PRO 59 -5.333 5.526 5.237 338 2HD PRO 59 1HD PRO 59 -5.753 7.249 5.235 339 H GLY 60 H GLY 60 -5.654 3.835 2.901 340 1HA GLY 60 2HA GLY 60 -5.155 2.530 0.449 341 2HA GLY 60 1HA GLY 60 -5.991 1.832 1.827 342 H ASP 61 H ASP 61 -8.122 3.758 1.897 343 HA ASP 61 HA ASP 61 -9.849 2.567 -0.044 344 1HB ASP 61 2HB ASP 61 -10.274 3.630 2.407 345 2HB ASP 61 1HB ASP 61 -10.758 4.991 1.400 346 H LEU 62 H LEU 62 -8.148 5.598 0.290 347 HA LEU 62 HA LEU 62 -9.514 6.993 -1.757 348 1HB LEU 62 2HB LEU 62 -6.746 7.404 -0.633 349 2HB LEU 62 1HB LEU 62 -7.572 8.532 -1.691 350 HG LEU 62 HG LEU 62 -8.588 7.722 1.031 351 1HD1 LEU 62 1HD1 LEU 62 -7.572 10.446 0.572 352 2HD1 LEU 62 2HD1 LEU 62 -6.354 9.173 0.650 353 3HD1 LEU 62 3HD1 LEU 62 -7.465 9.416 1.999 354 1HD2 LEU 62 1HD2 LEU 62 -10.269 8.498 -0.636 355 2HD2 LEU 62 2HD2 LEU 62 -9.392 10.025 -0.737 356 3HD2 LEU 62 3HD2 LEU 62 -10.134 9.532 0.786 357 H GLY 63 H GLY 63 -6.736 4.852 -1.715 358 1HA GLY 63 2HA GLY 63 -6.065 5.398 -4.481 359 2HA GLY 63 1HA GLY 63 -5.290 4.223 -3.429 360 H GLY 64 H GLY 64 -7.408 2.652 -2.659 361 1HA GLY 64 2HA GLY 64 -9.316 1.520 -3.780 362 2HA GLY 64 1HA GLY 64 -8.342 1.557 -5.241 363 H LEU 65 H LEU 65 -7.128 0.814 -2.024 364 HA LEU 65 HA LEU 65 -5.970 -1.633 -2.960 365 1HB LEU 65 2HB LEU 65 -6.098 -0.271 -0.285 366 2HB LEU 65 1HB LEU 65 -5.395 -1.867 -0.466 367 HG LEU 65 HG LEU 65 -4.434 0.508 -2.046 368 1HD1 LEU 65 1HD1 LEU 65 -3.566 1.352 -0.183 369 2HD1 LEU 65 2HD1 LEU 65 -2.547 -0.083 -0.081 370 3HD1 LEU 65 3HD1 LEU 65 -4.094 -0.037 0.765 371 1HD2 LEU 65 1HD2 LEU 65 -2.331 -1.128 -1.789 372 2HD2 LEU 65 2HD2 LEU 65 -3.491 -1.250 -3.112 373 3HD2 LEU 65 3HD2 LEU 65 -3.632 -2.316 -1.713 374 H LYS 66 H LYS 66 -6.690 -3.674 -2.740 375 HA LYS 66 HA LYS 66 -9.190 -4.078 -1.231 376 1HB LYS 66 2HB LYS 66 -8.278 -5.610 -3.673 377 2HB LYS 66 1HB LYS 66 -9.822 -5.768 -2.849 378 1HG LYS 66 2HG LYS 66 -10.261 -3.363 -3.437 379 2HG LYS 66 1HG LYS 66 -8.828 -3.439 -4.464 380 1HD LYS 66 2HD LYS 66 -10.277 -4.088 -6.055 381 2HD LYS 66 1HD LYS 66 -10.174 -5.662 -5.263 382 1HE LYS 66 2HE LYS 66 -12.405 -5.502 -5.112 383 2HE LYS 66 1HE LYS 66 -12.075 -4.416 -3.764 384 1HZ LYS 66 1HZ LYS 66 -13.358 -3.026 -4.952 385 2HZ LYS 66 2HZ LYS 66 -13.075 -3.819 -6.419 386 3HZ LYS 66 3HZ LYS 66 -11.934 -2.726 -5.815 387 HA PRO 67 HA PRO 67 -7.324 -7.133 1.329 388 1HB PRO 67 2HB PRO 67 -9.146 -9.220 1.085 389 2HB PRO 67 1HB PRO 67 -9.287 -7.866 2.209 390 1HG PRO 67 2HG PRO 67 -10.572 -8.263 -0.458 391 2HG PRO 67 1HG PRO 67 -11.244 -7.547 1.019 392 1HD PRO 67 2HD PRO 67 -10.444 -6.016 -1.025 393 2HD PRO 67 1HD PRO 67 -10.192 -5.508 0.658 394 H TYR 68 H TYR 68 -5.950 -8.855 1.209 395 HA TYR 68 HA TYR 68 -4.845 -10.682 0.376 396 1HB TYR 68 2HB TYR 68 -6.639 -10.467 -2.051 397 2HB TYR 68 1HB TYR 68 -5.503 -11.768 -1.721 398 HD1 TYR 68 1HD TYR 68 -8.832 -10.551 -1.202 399 HD2 TYR 68 2HD TYR 68 -5.878 -13.185 0.359 400 HE1 TYR 68 1HE TYR 68 -10.575 -11.762 0.035 401 HE2 TYR 68 2HE TYR 68 -7.613 -14.405 1.600 402 HH TYR 68 HH TYR 68 -10.176 -13.551 2.504 403 H ASP 69 H ASP 69 -4.982 -7.613 -0.840 404 HA ASP 69 HA ASP 69 -3.403 -7.589 -3.109 405 1HB ASP 69 2HB ASP 69 -3.915 -5.648 -0.900 406 2HB ASP 69 1HB ASP 69 -2.603 -5.304 -2.022 407 H ARG 70 H ARG 70 -1.848 -9.235 -2.877 408 HA ARG 70 HA ARG 70 0.084 -9.237 -0.793 409 1HB ARG 70 2HB ARG 70 -0.460 -11.278 -1.949 410 2HB ARG 70 1HB ARG 70 0.020 -10.585 -3.491 411 1HG ARG 70 2HG ARG 70 2.341 -10.447 -2.689 412 2HG ARG 70 1HG ARG 70 1.842 -11.197 -1.170 413 1HD ARG 70 2HD ARG 70 1.397 -13.245 -2.186 414 2HD ARG 70 1HD ARG 70 1.286 -12.529 -3.794 415 HE ARG 70 HE ARG 70 3.890 -12.173 -2.791 416 1HH1 ARG 70 1HH1 ARG 70 1.783 -14.689 -3.980 417 2HH1 ARG 70 2HH1 ARG 70 3.083 -15.678 -4.559 418 1HH2 ARG 70 1HH2 ARG 70 5.600 -13.471 -3.553 419 2HH2 ARG 70 2HH2 ARG 70 5.248 -14.985 -4.316 420 H LEU 71 H LEU 71 1.278 -7.433 -0.585 421 HA LEU 71 HA LEU 71 2.189 -5.773 -2.637 422 1HB LEU 71 2HB LEU 71 3.571 -6.226 0.003 423 2HB LEU 71 1HB LEU 71 3.644 -4.788 -0.999 424 HG LEU 71 HG LEU 71 0.919 -5.467 -0.192 425 1HD1 LEU 71 1HD1 LEU 71 2.923 -4.748 1.942 426 2HD1 LEU 71 2HD1 LEU 71 2.069 -6.285 1.799 427 3HD1 LEU 71 3HD1 LEU 71 1.170 -4.806 2.140 428 1HD2 LEU 71 1HD2 LEU 71 2.625 -3.136 -0.619 429 2HD2 LEU 71 2HD2 LEU 71 1.518 -2.964 0.742 430 3HD2 LEU 71 3HD2 LEU 71 0.889 -3.335 -0.862 431 H LEU 72 H LEU 72 3.387 -6.474 -4.303 432 HA LEU 72 HA LEU 72 5.355 -8.555 -3.947 433 1HB LEU 72 2HB LEU 72 4.871 -6.903 -6.418 434 2HB LEU 72 1HB LEU 72 5.680 -8.453 -6.321 435 HG LEU 72 HG LEU 72 2.748 -7.850 -6.184 436 1HD1 LEU 72 1HD1 LEU 72 2.624 -9.546 -7.888 437 2HD1 LEU 72 2HD1 LEU 72 4.332 -9.930 -7.681 438 3HD1 LEU 72 3HD1 LEU 72 3.854 -8.365 -8.334 439 1HD2 LEU 72 1HD2 LEU 72 3.556 -9.350 -4.230 440 2HD2 LEU 72 2HD2 LEU 72 3.808 -10.561 -5.485 441 3HD2 LEU 72 3HD2 LEU 72 2.202 -9.888 -5.220 442 H GLN 73 H GLN 73 5.568 -5.306 -5.401 443 HA GLN 73 HA GLN 73 8.269 -5.080 -4.242 444 1HB GLN 73 2HB GLN 73 8.687 -3.503 -6.217 445 2HB GLN 73 1HB GLN 73 8.627 -5.227 -6.557 446 1HG GLN 73 2HG GLN 73 6.361 -5.016 -7.380 447 2HG GLN 73 1HG GLN 73 6.350 -3.302 -6.966 448 1HE2 GLN 73 1HE2 GLN 73 7.314 -1.850 -8.302 449 2HE2 GLN 73 2HE2 GLN 73 7.993 -2.263 -9.843 450 H VAL 74 H VAL 74 8.601 -3.429 -2.910 451 HA VAL 74 HA VAL 74 6.673 -1.198 -2.938 452 HB VAL 74 HB VAL 74 8.140 -2.266 -0.523 453 1HG1 VAL 74 1HG1 VAL 74 5.751 -0.622 -0.149 454 2HG1 VAL 74 2HG1 VAL 74 7.091 0.228 -0.915 455 3HG1 VAL 74 3HG1 VAL 74 7.319 -0.546 0.653 456 1HG2 VAL 74 1HG2 VAL 74 5.565 -3.002 -1.750 457 2HG2 VAL 74 2HG2 VAL 74 5.536 -2.739 -0.006 458 3HG2 VAL 74 3HG2 VAL 74 6.632 -3.934 -0.699 459 H ASN 75 H ASN 75 7.721 0.426 -3.930 460 HA ASN 75 HA ASN 75 9.221 2.096 -4.293 461 1HB ASN 75 2HB ASN 75 9.364 1.561 -1.499 462 2HB ASN 75 1HB ASN 75 11.004 1.847 -2.072 463 1HD2 ASN 75 1HD2 ASN 75 9.247 3.454 -0.352 464 2HD2 ASN 75 2HD2 ASN 75 9.145 5.009 -1.114 465 H HIS 76 H HIS 76 9.699 -0.476 -5.367 466 HA HIS 76 HA HIS 76 11.325 -1.281 -6.789 467 1HB HIS 76 2HB HIS 76 12.554 1.017 -6.073 468 2HB HIS 76 1HB HIS 76 13.641 -0.154 -5.334 469 HD1 HIS 76 1HD HIS 76 11.906 -0.030 -8.729 470 HD2 HIS 76 2HD HIS 76 15.667 -0.594 -7.054 471 HE1 HIS 76 1HE HIS 76 13.447 -0.468 -10.667 472 HE2 HIS 76 2HE HIS 76 15.728 -0.741 -9.636 473 H VAL 77 H VAL 77 11.224 -1.530 -3.404 474 HA VAL 77 HA VAL 77 13.171 -3.658 -3.200 475 HB VAL 77 HB VAL 77 11.139 -2.819 -1.132 476 1HG1 VAL 77 1HG1 VAL 77 12.699 -5.018 -1.133 477 2HG1 VAL 77 2HG1 VAL 77 12.199 -4.169 0.330 478 3HG1 VAL 77 3HG1 VAL 77 13.788 -3.860 -0.370 479 1HG2 VAL 77 1HG2 VAL 77 13.402 -1.686 -0.262 480 2HG2 VAL 77 2HG2 VAL 77 12.231 -0.838 -1.273 481 3HG2 VAL 77 3HG2 VAL 77 13.667 -1.557 -2.001 482 H ARG 78 H ARG 78 12.717 -5.633 -3.912 483 HA ARG 78 HA ARG 78 10.079 -6.539 -4.445 484 1HB ARG 78 2HB ARG 78 12.794 -7.810 -4.476 485 2HB ARG 78 1HB ARG 78 11.359 -8.815 -4.628 486 1HG ARG 78 2HG ARG 78 10.896 -6.808 -6.446 487 2HG ARG 78 1HG ARG 78 12.636 -7.073 -6.574 488 1HD ARG 78 2HD ARG 78 11.704 -9.628 -6.504 489 2HD ARG 78 1HD ARG 78 10.393 -8.805 -7.347 490 HE ARG 78 HE ARG 78 12.834 -8.021 -8.485 491 1HH1 ARG 78 1HH1 ARG 78 10.786 -10.835 -8.233 492 2HH1 ARG 78 2HH1 ARG 78 11.309 -11.506 -9.742 493 1HH2 ARG 78 1HH2 ARG 78 13.523 -8.900 -10.469 494 2HH2 ARG 78 2HH2 ARG 78 12.864 -10.406 -11.012 495 H THR 79 H THR 79 8.946 -6.341 -2.484 496 HA THR 79 HA THR 79 9.797 -8.039 -0.262 497 HB THR 79 HB THR 79 8.237 -6.863 1.089 498 HG1 THR 79 1HG THR 79 7.153 -5.906 -1.344 499 1HG2 THR 79 1HG2 THR 79 8.953 -4.671 1.014 500 2HG2 THR 79 2HG2 THR 79 9.068 -4.660 -0.745 501 3HG2 THR 79 3HG2 THR 79 10.261 -5.538 0.211 502 H ARG 80 H ARG 80 8.827 -9.234 -2.725 503 HA ARG 80 HA ARG 80 6.141 -10.077 -2.451 504 1HB ARG 80 2HB ARG 80 8.477 -10.858 -4.101 505 2HB ARG 80 1HB ARG 80 7.221 -12.072 -3.908 506 1HG ARG 80 2HG ARG 80 5.564 -10.405 -4.704 507 2HG ARG 80 1HG ARG 80 6.896 -9.296 -5.025 508 1HD ARG 80 2HD ARG 80 6.372 -10.371 -7.079 509 2HD ARG 80 1HD ARG 80 7.885 -11.069 -6.503 510 HE ARG 80 HE ARG 80 5.548 -12.549 -5.718 511 1HH1 ARG 80 1HH1 ARG 80 7.939 -12.079 -8.217 512 2HH1 ARG 80 2HH1 ARG 80 7.742 -13.669 -8.876 513 1HH2 ARG 80 1HH2 ARG 80 5.288 -14.639 -6.585 514 2HH2 ARG 80 2HH2 ARG 80 6.237 -15.122 -7.950 515 H ASP 81 H ASP 81 9.204 -11.750 -1.721 516 HA ASP 81 HA ASP 81 7.737 -13.774 -0.216 517 1HB ASP 81 2HB ASP 81 9.915 -14.933 -0.083 518 2HB ASP 81 1HB ASP 81 9.456 -14.571 -1.744 519 H PHE 82 H PHE 82 8.161 -10.918 0.685 520 HA PHE 82 HA PHE 82 9.916 -11.137 2.962 521 1HB PHE 82 2HB PHE 82 8.252 -9.000 1.729 522 2HB PHE 82 1HB PHE 82 8.630 -8.844 3.441 523 HD1 PHE 82 1HD PHE 82 10.025 -6.951 3.323 524 HD2 PHE 82 2HD PHE 82 10.851 -10.354 0.908 525 HE1 PHE 82 1HE PHE 82 12.225 -6.008 2.753 526 HE2 PHE 82 2HE PHE 82 13.052 -9.418 0.333 527 HZ PHE 82 HZ PHE 82 13.741 -7.240 1.256 528 H ASP 83 H ASP 83 9.056 -10.459 5.149 529 HA ASP 83 HA ASP 83 6.563 -11.929 5.678 530 1HB ASP 83 2HB ASP 83 8.854 -11.281 7.548 531 2HB ASP 83 1HB ASP 83 7.407 -12.185 7.984 532 H CYS 84 H CYS 84 5.201 -11.087 7.450 533 HA CYS 84 HA CYS 84 4.375 -8.490 7.031 534 1HB CYS 84 2HB CYS 84 3.249 -10.450 8.335 535 2HB CYS 84 1HB CYS 84 4.056 -9.753 9.736 536 HG CYS 84 HG CYS 84 1.656 -8.544 8.261 537 H CYS 85 H CYS 85 6.658 -9.713 9.437 538 HA CYS 85 HA CYS 85 7.010 -7.325 10.845 539 1HB CYS 85 2HB CYS 85 9.198 -8.354 11.556 540 2HB CYS 85 1HB CYS 85 7.777 -9.354 11.839 541 HG CYS 85 HG CYS 85 10.139 -10.168 10.233 542 H LEU 86 H LEU 86 8.183 -8.366 7.773 543 HA LEU 86 HA LEU 86 10.237 -6.294 7.688 544 1HB LEU 86 2HB LEU 86 9.599 -8.714 6.110 545 2HB LEU 86 1HB LEU 86 10.304 -7.378 5.222 546 HG LEU 86 HG LEU 86 11.990 -7.519 7.355 547 1HD1 LEU 86 1HD1 LEU 86 10.788 -9.551 8.152 548 2HD1 LEU 86 2HD1 LEU 86 12.505 -9.800 7.838 549 3HD1 LEU 86 3HD1 LEU 86 11.304 -10.372 6.679 550 1HD2 LEU 86 1HD2 LEU 86 12.303 -9.176 4.860 551 2HD2 LEU 86 2HD2 LEU 86 13.574 -8.449 5.842 552 3HD2 LEU 86 3HD2 LEU 86 12.493 -7.423 4.901 553 H VAL 87 H VAL 87 7.074 -7.036 6.411 554 HA VAL 87 HA VAL 87 7.104 -4.935 4.453 555 HB VAL 87 HB VAL 87 4.737 -6.479 5.523 556 1HG1 VAL 87 1HG1 VAL 87 3.449 -5.438 4.009 557 2HG1 VAL 87 2HG1 VAL 87 4.701 -5.489 2.769 558 3HG1 VAL 87 3HG1 VAL 87 4.723 -4.218 3.990 559 1HG2 VAL 87 1HG2 VAL 87 5.932 -8.193 4.617 560 2HG2 VAL 87 2HG2 VAL 87 6.823 -7.141 3.520 561 3HG2 VAL 87 3HG2 VAL 87 5.161 -7.597 3.149 562 H VAL 88 H VAL 88 5.907 -5.343 7.750 563 HA VAL 88 HA VAL 88 4.290 -3.078 7.890 564 HB VAL 88 HB VAL 88 5.927 -4.309 10.113 565 1HG1 VAL 88 1HG1 VAL 88 5.319 -2.136 10.832 566 2HG1 VAL 88 2HG1 VAL 88 4.163 -3.246 11.568 567 3HG1 VAL 88 3HG1 VAL 88 3.695 -2.294 10.159 568 1HG2 VAL 88 1HG2 VAL 88 3.029 -4.728 10.022 569 2HG2 VAL 88 2HG2 VAL 88 4.332 -5.867 10.364 570 3HG2 VAL 88 3HG2 VAL 88 3.919 -5.476 8.694 571 HA PRO 89 HA PRO 89 8.197 -0.596 9.324 572 1HB PRO 89 2HB PRO 89 10.468 -2.163 8.326 573 2HB PRO 89 1HB PRO 89 10.199 -1.488 9.936 574 1HG PRO 89 2HG PRO 89 10.096 -4.139 9.463 575 2HG PRO 89 1HG PRO 89 9.067 -3.355 10.676 576 1HD PRO 89 2HD PRO 89 8.387 -4.220 7.891 577 2HD PRO 89 1HD PRO 89 7.443 -4.399 9.379 578 H LEU 90 H LEU 90 8.852 -2.592 6.429 579 HA LEU 90 HA LEU 90 10.049 -0.639 4.869 580 1HB LEU 90 2HB LEU 90 8.384 -3.038 4.169 581 2HB LEU 90 1HB LEU 90 9.038 -1.991 2.923 582 HG LEU 90 HG LEU 90 10.801 -3.273 4.994 583 1HD1 LEU 90 1HD1 LEU 90 10.831 -5.243 3.941 584 2HD1 LEU 90 2HD1 LEU 90 10.770 -4.498 2.343 585 3HD1 LEU 90 3HD1 LEU 90 9.283 -4.740 3.261 586 1HD2 LEU 90 1HD2 LEU 90 12.558 -2.592 3.700 587 2HD2 LEU 90 2HD2 LEU 90 11.417 -1.288 3.371 588 3HD2 LEU 90 3HD2 LEU 90 11.611 -2.602 2.212 589 H ILE 91 H ILE 91 6.678 -1.228 5.566 590 HA ILE 91 HA ILE 91 5.641 0.538 3.571 591 HB ILE 91 HB ILE 91 4.434 -0.761 6.007 592 1HG1 ILE 91 2HG1 ILE 91 3.721 -1.040 3.085 593 2HG1 ILE 91 1HG1 ILE 91 4.913 -2.059 3.888 594 1HG2 ILE 91 1HG2 ILE 91 3.444 1.567 4.577 595 2HG2 ILE 91 2HG2 ILE 91 2.896 0.854 6.094 596 3HG2 ILE 91 3HG2 ILE 91 2.302 0.225 4.557 597 1HD1 ILE 91 1HD1 ILE 91 2.782 -3.182 3.756 598 2HD1 ILE 91 2HD1 ILE 91 1.994 -1.839 4.584 599 3HD1 ILE 91 3HD1 ILE 91 3.176 -2.830 5.438 600 H ALA 92 H ALA 92 6.209 0.808 7.071 601 HA ALA 92 HA ALA 92 5.349 3.514 7.193 602 1HB ALA 92 1HB ALA 92 5.520 3.310 9.428 603 2HB ALA 92 2HB ALA 92 7.086 2.505 9.342 604 3HB ALA 92 3HB ALA 92 5.607 1.591 9.047 605 H GLU 93 H GLU 93 8.090 2.184 5.896 606 HA GLU 93 HA GLU 93 9.808 4.426 6.681 607 1HB GLU 93 2HB GLU 93 10.300 1.660 5.736 608 2HB GLU 93 1HB GLU 93 11.448 2.884 5.210 609 1HG GLU 93 2HG GLU 93 10.957 3.214 7.999 610 2HG GLU 93 1HG GLU 93 11.344 1.525 7.675 611 H SER 94 H SER 94 7.717 3.577 4.229 612 HA SER 94 HA SER 94 9.107 4.429 1.933 613 1HB SER 94 2HB SER 94 7.100 4.195 0.804 614 2HB SER 94 1HB SER 94 6.807 3.173 2.211 615 HG SER 94 HG SER 94 5.858 5.138 3.168 616 H GLY 95 H GLY 95 7.868 6.178 4.562 617 1HA GLY 95 2HA GLY 95 8.321 8.460 4.942 618 2HA GLY 95 1HA GLY 95 8.518 8.684 3.210 619 H ASN 96 H ASN 96 7.129 10.395 2.973 620 HA ASN 96 HA ASN 96 4.497 10.403 4.088 621 1HB ASN 96 2HB ASN 96 5.873 12.153 2.053 622 2HB ASN 96 1HB ASN 96 4.201 12.406 2.546 623 1HD2 ASN 96 1HD2 ASN 96 7.529 12.388 3.611 624 2HD2 ASN 96 2HD2 ASN 96 7.284 13.363 5.023 625 H LYS 97 H LYS 97 5.815 8.788 1.458 626 HA LYS 97 HA LYS 97 3.139 8.254 0.408 627 1HB LYS 97 2HB LYS 97 5.490 9.231 -1.198 628 2HB LYS 97 1HB LYS 97 4.194 8.302 -1.939 629 1HG LYS 97 2HG LYS 97 2.579 9.984 -1.330 630 2HG LYS 97 1HG LYS 97 3.811 10.891 -0.452 631 1HD LYS 97 2HD LYS 97 3.598 11.981 -2.529 632 2HD LYS 97 1HD LYS 97 5.071 11.018 -2.659 633 1HE LYS 97 2HE LYS 97 4.022 9.403 -4.007 634 2HE LYS 97 1HE LYS 97 2.410 9.982 -3.591 635 1HZ LYS 97 1HZ LYS 97 2.748 11.934 -4.880 636 2HZ LYS 97 2HZ LYS 97 3.188 10.618 -5.847 637 3HZ LYS 97 3HZ LYS 97 4.383 11.577 -5.129 638 H LEU 98 H LEU 98 2.841 6.181 -0.337 639 HA LEU 98 HA LEU 98 5.172 4.388 -0.127 640 1HB LEU 98 2HB LEU 98 2.921 4.332 1.451 641 2HB LEU 98 1HB LEU 98 2.542 3.144 0.224 642 HG LEU 98 HG LEU 98 4.756 3.104 2.251 643 1HD1 LEU 98 1HD1 LEU 98 3.874 0.874 2.680 644 2HD1 LEU 98 2HD1 LEU 98 2.683 1.092 1.398 645 3HD1 LEU 98 3HD1 LEU 98 2.618 2.100 2.843 646 1HD2 LEU 98 1HD2 LEU 98 5.948 2.597 0.270 647 2HD2 LEU 98 2HD2 LEU 98 4.630 1.608 -0.356 648 3HD2 LEU 98 3HD2 LEU 98 5.571 1.050 1.027 649 H ASP 99 H ASP 99 5.711 4.217 -2.263 650 HA ASP 99 HA ASP 99 3.633 3.560 -4.208 651 1HB ASP 99 2HB ASP 99 6.602 3.890 -4.689 652 2HB ASP 99 1HB ASP 99 5.323 3.885 -5.899 653 H LEU 100 H LEU 100 3.112 1.491 -4.541 654 HA LEU 100 HA LEU 100 5.212 -0.522 -4.617 655 1HB LEU 100 2HB LEU 100 3.866 -2.004 -3.070 656 2HB LEU 100 1HB LEU 100 4.738 -0.677 -2.326 657 HG LEU 100 HG LEU 100 2.341 0.506 -2.727 658 1HD1 LEU 100 1HD1 LEU 100 0.659 -1.213 -1.921 659 2HD1 LEU 100 2HD1 LEU 100 1.834 -2.436 -2.406 660 3HD1 LEU 100 3HD1 LEU 100 1.166 -1.329 -3.607 661 1HD2 LEU 100 1HD2 LEU 100 3.876 -0.216 -0.592 662 2HD2 LEU 100 2HD2 LEU 100 2.385 -1.104 -0.284 663 3HD2 LEU 100 3HD2 LEU 100 2.341 0.646 -0.493 664 H VAL 101 H VAL 101 4.448 -2.626 -5.344 665 HA VAL 101 HA VAL 101 2.006 -2.450 -6.989 666 HB VAL 101 HB VAL 101 4.513 -3.986 -7.686 667 1HG1 VAL 101 1HG1 VAL 101 1.808 -3.965 -8.728 668 2HG1 VAL 101 2HG1 VAL 101 3.137 -5.077 -9.055 669 3HG1 VAL 101 3HG1 VAL 101 3.000 -3.576 -9.970 670 1HG2 VAL 101 1HG2 VAL 101 3.632 -1.224 -8.348 671 2HG2 VAL 101 2HG2 VAL 101 4.448 -2.164 -9.597 672 3HG2 VAL 101 3HG2 VAL 101 5.253 -1.856 -8.058 673 H ILE 102 H ILE 102 0.534 -3.692 -6.008 674 HA ILE 102 HA ILE 102 1.398 -6.173 -4.699 675 HB ILE 102 HB ILE 102 -0.774 -6.179 -3.603 676 1HG1 ILE 102 2HG1 ILE 102 -2.111 -3.921 -3.978 677 2HG1 ILE 102 1HG1 ILE 102 -1.322 -3.980 -5.553 678 1HG2 ILE 102 1HG2 ILE 102 -0.484 -3.572 -2.768 679 2HG2 ILE 102 2HG2 ILE 102 1.116 -3.974 -3.390 680 3HG2 ILE 102 3HG2 ILE 102 0.387 -4.964 -2.128 681 1HD1 ILE 102 1HD1 ILE 102 -2.747 -6.394 -4.555 682 2HD1 ILE 102 2HD1 ILE 102 -2.470 -5.848 -6.209 683 3HD1 ILE 102 3HD1 ILE 102 -3.673 -5.041 -5.205 684 H SER 103 H SER 103 -0.231 -8.002 -4.844 685 HA SER 103 HA SER 103 -1.614 -8.166 -7.403 686 1HB SER 103 2HB SER 103 0.950 -9.350 -6.959 687 2HB SER 103 1HB SER 103 -0.241 -10.641 -7.107 688 HG SER 103 HG SER 103 -0.814 -9.876 -9.105 689 H ARG 104 H ARG 104 -3.521 -9.174 -7.170 690 HA ARG 104 HA ARG 104 -3.825 -11.262 -5.166 691 1HB ARG 104 2HB ARG 104 -5.721 -10.227 -4.069 692 2HB ARG 104 1HB ARG 104 -4.318 -9.174 -3.950 693 1HG ARG 104 2HG ARG 104 -5.274 -7.543 -5.164 694 2HG ARG 104 1HG ARG 104 -6.065 -8.676 -6.260 695 1HD ARG 104 2HD ARG 104 -7.227 -8.959 -3.676 696 2HD ARG 104 1HD ARG 104 -7.186 -7.244 -4.082 697 HE ARG 104 HE ARG 104 -8.173 -8.365 -6.327 698 1HH1 ARG 104 1HH1 ARG 104 -9.054 -8.646 -2.961 699 2HH1 ARG 104 2HH1 ARG 104 -10.727 -8.942 -3.295 700 1HH2 ARG 104 1HH2 ARG 104 -10.373 -8.752 -6.767 701 2HH2 ARG 104 2HH2 ARG 104 -11.476 -9.003 -5.456 702 H ASN 105 H ASN 105 -5.669 -12.567 -5.443 703 HA ASN 105 HA ASN 105 -6.426 -13.014 -8.108 704 1HB ASN 105 2HB ASN 105 -8.159 -14.549 -7.061 705 2HB ASN 105 1HB ASN 105 -6.483 -14.862 -6.621 706 1HD2 ASN 105 1HD2 ASN 105 -5.795 -14.478 -4.544 707 2HD2 ASN 105 2HD2 ASN 105 -6.891 -14.166 -3.239 708 HA PRO 106 HA PRO 106 -9.574 -9.790 -8.266 709 1HB PRO 106 2HB PRO 106 -10.215 -10.121 -10.877 710 2HB PRO 106 1HB PRO 106 -8.759 -9.267 -10.354 711 1HG PRO 106 2HG PRO 106 -9.058 -12.091 -11.304 712 2HG PRO 106 1HG PRO 106 -7.814 -10.896 -11.720 713 1HD PRO 106 2HD PRO 106 -7.398 -12.856 -9.899 714 2HD PRO 106 1HD PRO 106 -6.636 -11.259 -9.772
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