NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
1941 | 1b75 | 4395 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -13.845 -0.295 8.931 2 HA MET 1 HA MET 1 -15.200 -1.996 10.499 3 1HB MET 1 1HB MET 1 -14.974 -3.443 7.830 4 2HB MET 1 2HB MET 1 -15.606 -4.093 9.344 5 1HG MET 1 1HG MET 1 -16.870 -1.887 7.648 6 2HG MET 1 2HG MET 1 -17.345 -3.573 7.769 7 1HE MET 1 1HE MET 1 -17.900 -0.036 9.072 8 2HE MET 1 2HE MET 1 -18.536 -0.260 10.715 9 3HE MET 1 3HE MET 1 -16.808 -0.470 10.408 10 H PHE 2 H PHE 2 -12.897 -2.831 7.849 11 HA PHE 2 HA PHE 2 -11.142 -4.249 9.652 12 1HB PHE 2 1HB PHE 2 -10.556 -3.201 6.883 13 2HB PHE 2 2HB PHE 2 -9.748 -4.546 7.696 14 HD1 PHE 2 HD1 PHE 2 -12.213 -6.073 8.693 15 HD2 PHE 2 HD2 PHE 2 -11.255 -4.246 4.896 16 HE1 PHE 2 HE1 PHE 2 -13.718 -7.660 7.534 17 HE2 PHE 2 HE2 PHE 2 -12.841 -5.765 3.781 18 HZ PHE 2 HZ PHE 2 -13.981 -7.553 5.064 19 H THR 3 H THR 3 -8.698 -3.714 9.519 20 HA THR 3 HA THR 3 -8.237 -0.807 10.087 21 HB THR 3 HB THR 3 -7.017 -3.219 11.492 22 HG1 THR 3 HG1 THR 3 -9.227 -2.873 11.991 23 1HG2 THR 3 1HG2 THR 3 -6.909 -0.231 12.114 24 2HG2 THR 3 2HG2 THR 3 -6.194 -1.529 13.090 25 3HG2 THR 3 3HG2 THR 3 -5.547 -1.182 11.477 26 H ILE 4 H ILE 4 -7.688 -0.641 7.795 27 HA ILE 4 HA ILE 4 -5.238 -2.036 6.892 28 HB ILE 4 HB ILE 4 -7.145 -0.066 5.586 29 1HG1 ILE 4 1HG1 ILE 4 -7.362 -1.886 3.912 30 2HG1 ILE 4 2HG1 ILE 4 -6.291 -2.920 4.868 31 1HG2 ILE 4 1HG2 ILE 4 -4.473 -1.110 4.560 32 2HG2 ILE 4 2HG2 ILE 4 -5.723 -0.358 3.548 33 3HG2 ILE 4 3HG2 ILE 4 -4.927 0.587 4.806 34 1HD1 ILE 4 1HD1 ILE 4 -8.940 -1.796 5.870 35 2HD1 ILE 4 2HD1 ILE 4 -8.758 -3.380 5.080 36 3HD1 ILE 4 3HD1 ILE 4 -7.955 -3.082 6.626 37 H ASN 5 H ASN 5 -3.324 -1.295 7.609 38 HA ASN 5 HA ASN 5 -3.025 1.291 8.871 39 1HB ASN 5 1HB ASN 5 -0.960 -0.765 7.982 40 2HB ASN 5 2HB ASN 5 -0.645 0.623 9.037 41 1HD2 ASN 5 2HD2 ASN 5 -0.159 -2.136 9.717 42 2HD2 ASN 5 1HD2 ASN 5 -1.185 -2.517 11.086 43 H ALA 6 H ALA 6 -2.044 3.155 8.083 44 HA ALA 6 HA ALA 6 -0.757 3.192 5.457 45 1HB ALA 6 1HB ALA 6 -3.360 4.671 6.000 46 2HB ALA 6 2HB ALA 6 -2.318 4.920 4.582 47 3HB ALA 6 3HB ALA 6 -3.125 3.359 4.825 48 H GLU 7 H GLU 7 0.177 5.254 4.986 49 HA GLU 7 HA GLU 7 0.533 7.177 7.186 50 1HB GLU 7 1HB GLU 7 2.263 5.459 7.481 51 2HB GLU 7 2HB GLU 7 2.806 5.663 5.806 52 1HG GLU 7 1HG GLU 7 3.583 7.923 6.278 53 2HG GLU 7 2HG GLU 7 2.859 7.879 7.896 54 H VAL 8 H VAL 8 1.566 9.190 6.315 55 HA VAL 8 HA VAL 8 0.394 9.878 3.757 56 HB VAL 8 HB VAL 8 1.370 12.135 4.229 57 1HG1 VAL 8 1HG1 VAL 8 -0.927 11.565 4.775 58 2HG1 VAL 8 2HG1 VAL 8 -0.427 10.879 6.332 59 3HG1 VAL 8 3HG1 VAL 8 -0.237 12.616 6.024 60 1HG2 VAL 8 1HG2 VAL 8 3.267 11.382 5.739 61 2HG2 VAL 8 2HG2 VAL 8 2.243 12.659 6.409 62 3HG2 VAL 8 3HG2 VAL 8 2.058 10.997 6.978 63 H ARG 9 H ARG 9 1.724 8.091 2.736 64 HA ARG 9 HA ARG 9 3.276 7.391 1.294 65 1HB ARG 9 1HB ARG 9 2.032 9.187 0.090 66 2HB ARG 9 2HB ARG 9 3.418 10.259 0.386 67 1HG ARG 9 1HG ARG 9 4.885 8.595 -0.828 68 2HG ARG 9 2HG ARG 9 3.482 7.540 -1.035 69 1HD ARG 9 1HD ARG 9 3.897 8.723 -3.081 70 2HD ARG 9 2HD ARG 9 2.364 9.279 -2.414 71 HE ARG 9 HE ARG 9 4.940 10.732 -2.655 72 1HH1 ARG 9 1HH2 ARG 9 1.629 10.871 -1.340 73 2HH1 ARG 9 2HH2 ARG 9 1.634 12.608 -1.213 74 1HH2 ARG 9 1HH1 ARG 9 4.923 12.991 -2.448 75 2HH2 ARG 9 2HH1 ARG 9 3.517 13.815 -1.826 76 H LYS 10 H LYS 10 4.564 7.264 3.508 77 HA LYS 10 HA LYS 10 7.270 8.199 2.950 78 1HB LYS 10 1HB LYS 10 6.172 10.044 4.205 79 2HB LYS 10 2HB LYS 10 5.843 8.953 5.550 80 1HG LYS 10 1HG LYS 10 8.673 9.246 4.517 81 2HG LYS 10 2HG LYS 10 7.979 10.564 5.468 82 1HD LYS 10 1HD LYS 10 7.586 9.142 7.372 83 2HD LYS 10 2HD LYS 10 8.039 7.695 6.464 84 1HE LYS 10 1HE LYS 10 10.342 8.759 6.121 85 2HE LYS 10 2HE LYS 10 9.849 10.012 7.278 86 1HZ LYS 10 1HZ LYS 10 9.939 7.123 7.767 87 2HZ LYS 10 2HZ LYS 10 11.074 8.205 8.275 88 3HZ LYS 10 3HZ LYS 10 9.534 8.263 8.895 89 H GLU 11 H GLU 11 8.724 6.703 3.571 90 HA GLU 11 HA GLU 11 7.709 4.248 4.934 91 1HB GLU 11 1HB GLU 11 9.805 4.776 2.795 92 2HB GLU 11 2HB GLU 11 9.719 3.243 3.656 93 1HG GLU 11 1HG GLU 11 7.328 4.364 2.149 94 2HG GLU 11 2HG GLU 11 8.556 3.336 1.402 95 H GLN 12 H GLN 12 9.595 2.918 5.799 96 HA GLN 12 HA GLN 12 10.639 4.270 8.095 97 1HB GLN 12 1HB GLN 12 11.157 1.508 6.918 98 2HB GLN 12 2HB GLN 12 11.827 2.091 8.447 99 1HG GLN 12 1HG GLN 12 9.882 0.775 8.936 100 2HG GLN 12 2HG GLN 12 9.546 2.459 9.342 101 1HE2 GLN 12 2HE2 GLN 12 7.557 3.202 8.652 102 2HE2 GLN 12 1HE2 GLN 12 6.654 2.551 7.307 103 H GLY 13 H GLY 13 11.974 5.928 7.569 104 1HA GLY 13 1HA GLY 13 14.665 5.842 7.177 105 2HA GLY 13 2HA GLY 13 14.017 5.769 5.521 106 H LYS 14 H LYS 14 14.459 7.838 4.806 107 HA LYS 14 HA LYS 14 12.896 10.040 5.995 108 1HB LYS 14 1HB LYS 14 15.164 10.199 6.944 109 2HB LYS 14 2HB LYS 14 15.873 10.212 5.327 110 1HG LYS 14 1HG LYS 14 13.766 12.260 6.053 111 2HG LYS 14 2HG LYS 14 15.364 12.454 6.747 112 1HD LYS 14 1HD LYS 14 15.215 12.048 3.754 113 2HD LYS 14 2HD LYS 14 14.677 13.584 4.434 114 1HE LYS 14 1HE LYS 14 17.018 13.715 3.778 115 2HE LYS 14 2HE LYS 14 16.834 13.942 5.523 116 1HZ LYS 14 1HZ LYS 14 17.662 11.451 4.198 117 2HZ LYS 14 2HZ LYS 14 18.656 12.501 4.990 118 3HZ LYS 14 3HZ LYS 14 17.506 11.669 5.824 119 H GLY 15 H GLY 15 12.233 11.559 4.464 120 1HA GLY 15 1HA GLY 15 12.009 12.490 2.326 121 2HA GLY 15 2HA GLY 15 12.864 11.126 1.590 122 H ALA 16 H ALA 16 11.512 9.760 0.482 123 HA ALA 16 HA ALA 16 9.037 8.804 1.635 124 1HB ALA 16 1HB ALA 16 8.958 10.589 -0.841 125 2HB ALA 16 2HB ALA 16 7.616 9.573 -0.281 126 3HB ALA 16 3HB ALA 16 8.183 10.921 0.725 127 H SER 17 H SER 17 8.491 6.856 0.790 128 HA SER 17 HA SER 17 8.585 4.943 -0.376 129 1HB SER 17 1HB SER 17 9.011 6.824 -2.734 130 2HB SER 17 2HB SER 17 8.328 5.192 -2.783 131 HG SER 17 HG SER 17 6.684 6.018 -1.316 132 H ARG 18 H ARG 18 10.975 5.218 0.878 133 HA ARG 18 HA ARG 18 12.955 4.134 -1.105 134 1HB ARG 18 1HB ARG 18 13.473 5.654 1.484 135 2HB ARG 18 2HB ARG 18 14.696 4.875 0.459 136 1HG ARG 18 1HG ARG 18 13.947 6.328 -1.456 137 2HG ARG 18 2HG ARG 18 12.921 7.219 -0.309 138 1HD ARG 18 1HD ARG 18 14.909 7.778 1.049 139 2HD ARG 18 2HD ARG 18 15.931 6.839 -0.062 140 HE ARG 18 HE ARG 18 14.436 8.837 -1.484 141 1HH1 ARG 18 1HH2 ARG 18 17.257 8.454 0.636 142 2HH1 ARG 18 2HH2 ARG 18 18.114 9.814 -0.044 143 1HH2 ARG 18 1HH1 ARG 18 15.568 10.629 -2.363 144 2HH2 ARG 18 2HH1 ARG 18 17.141 11.064 -1.748 145 H ARG 19 H ARG 19 11.003 2.462 -0.239 146 HA ARG 19 HA ARG 19 12.571 0.414 0.994 147 1HB ARG 19 1HB ARG 19 11.790 1.755 3.051 148 2HB ARG 19 2HB ARG 19 10.151 1.380 2.539 149 1HG ARG 19 1HG ARG 19 10.464 -0.219 4.128 150 2HG ARG 19 2HG ARG 19 10.935 -1.140 2.700 151 1HD ARG 19 1HD ARG 19 12.759 0.242 4.720 152 2HD ARG 19 2HD ARG 19 12.484 -1.489 4.569 153 HE ARG 19 HE ARG 19 13.550 -1.508 2.401 154 1HH1 ARG 19 1HH2 ARG 19 14.277 1.398 4.372 155 2HH1 ARG 19 2HH2 ARG 19 15.736 1.737 3.486 156 1HH2 ARG 19 1HH1 ARG 19 15.441 -0.996 1.284 157 2HH2 ARG 19 2HH1 ARG 19 16.396 0.390 1.739 158 H LEU 20 H LEU 20 9.229 1.516 0.237 159 HA LEU 20 HA LEU 20 8.050 -0.932 -0.160 160 1HB LEU 20 1HB LEU 20 6.362 0.199 -1.467 161 2HB LEU 20 2HB LEU 20 6.848 1.134 -0.061 162 HG LEU 20 HG LEU 20 8.390 2.418 -1.818 163 1HD1 LEU 20 1HD1 LEU 20 7.728 0.972 -3.806 164 2HD1 LEU 20 2HD1 LEU 20 6.045 1.426 -3.525 165 3HD1 LEU 20 3HD1 LEU 20 7.235 2.657 -3.992 166 1HD2 LEU 20 1HD2 LEU 20 5.373 2.712 -1.464 167 2HD2 LEU 20 2HD2 LEU 20 6.640 3.440 -0.455 168 3HD2 LEU 20 3HD2 LEU 20 6.423 3.970 -2.133 169 H ARG 21 H ARG 21 10.144 0.788 -2.454 170 HA ARG 21 HA ARG 21 9.594 -1.104 -4.612 171 1HB ARG 21 1HB ARG 21 10.037 1.455 -4.730 172 2HB ARG 21 2HB ARG 21 11.746 1.037 -4.581 173 1HG ARG 21 1HG ARG 21 11.439 -0.463 -6.633 174 2HG ARG 21 2HG ARG 21 9.762 0.102 -6.705 175 1HD ARG 21 1HD ARG 21 10.755 2.504 -6.783 176 2HD ARG 21 2HD ARG 21 12.313 1.725 -7.039 177 HE ARG 21 HE ARG 21 11.734 1.215 -9.202 178 1HH1 ARG 21 1HH2 ARG 21 8.785 2.160 -7.457 179 2HH1 ARG 21 2HH2 ARG 21 7.819 2.287 -8.903 180 1HH2 ARG 21 1HH1 ARG 21 10.444 1.374 -11.090 181 2HH2 ARG 21 2HH1 ARG 21 8.763 1.828 -10.972 182 H ALA 22 H ALA 22 10.466 -2.540 -2.467 183 HA ALA 22 HA ALA 22 12.755 -3.971 -3.368 184 1HB ALA 22 1HB ALA 22 13.210 -2.161 -0.945 185 2HB ALA 22 2HB ALA 22 14.269 -3.491 -1.448 186 3HB ALA 22 3HB ALA 22 14.073 -2.079 -2.492 187 H ALA 23 H ALA 23 10.905 -2.975 -0.463 188 HA ALA 23 HA ALA 23 10.935 -5.639 0.717 189 1HB ALA 23 1HB ALA 23 11.047 -3.631 2.103 190 2HB ALA 23 2HB ALA 23 9.473 -3.081 1.493 191 3HB ALA 23 3HB ALA 23 9.588 -4.565 2.475 192 H ASN 24 H ASN 24 7.821 -4.384 1.182 193 HA ASN 24 HA ASN 24 6.607 -5.463 -1.208 194 1HB ASN 24 1HB ASN 24 7.279 -7.510 0.198 195 2HB ASN 24 2HB ASN 24 6.111 -6.969 1.401 196 1HD2 ASN 24 2HD2 ASN 24 5.038 -9.050 1.024 197 2HD2 ASN 24 1HD2 ASN 24 4.054 -9.301 -0.401 198 H LYS 25 H LYS 25 6.185 -3.111 -0.884 199 HA LYS 25 HA LYS 25 3.462 -2.816 0.230 200 1HB LYS 25 1HB LYS 25 5.679 -0.743 0.538 201 2HB LYS 25 2HB LYS 25 3.982 -0.503 0.914 202 1HG LYS 25 1HG LYS 25 4.472 -2.595 2.566 203 2HG LYS 25 2HG LYS 25 6.116 -1.946 2.420 204 1HD LYS 25 1HD LYS 25 4.963 0.392 2.876 205 2HD LYS 25 2HD LYS 25 3.577 -0.574 3.392 206 1HE LYS 25 1HE LYS 25 4.739 -0.093 5.376 207 2HE LYS 25 2HE LYS 25 5.219 -1.762 5.012 208 1HZ LYS 25 1HZ LYS 25 6.732 0.676 4.357 209 2HZ LYS 25 2HZ LYS 25 7.087 -0.322 5.613 210 3HZ LYS 25 3HZ LYS 25 7.243 -0.854 4.055 211 H PHE 26 H PHE 26 2.440 -0.820 -0.808 212 HA PHE 26 HA PHE 26 3.688 0.251 -3.167 213 1HB PHE 26 1HB PHE 26 2.111 -0.474 -4.810 214 2HB PHE 26 2HB PHE 26 2.713 -1.919 -4.024 215 HD1 PHE 26 HD1 PHE 26 1.228 -3.072 -2.258 216 HD2 PHE 26 HD2 PHE 26 -0.199 0.082 -4.830 217 HE1 PHE 26 HE1 PHE 26 -1.120 -3.620 -1.653 218 HE2 PHE 26 HE2 PHE 26 -2.511 -0.351 -4.072 219 HZ PHE 26 HZ PHE 26 -2.983 -2.255 -2.534 220 HA PRO 27 HA PRO 27 1.102 3.475 -1.567 221 1HB PRO 27 1HB PRO 27 1.138 5.360 -3.540 222 2HB PRO 27 2HB PRO 27 2.603 4.910 -2.619 223 1HG PRO 27 1HG PRO 27 1.731 3.837 -5.321 224 2HG PRO 27 2HG PRO 27 3.326 4.520 -4.882 225 1HD PRO 27 1HD PRO 27 2.872 1.836 -4.872 226 2HD PRO 27 2HD PRO 27 3.889 2.600 -3.611 227 H ALA 28 H ALA 28 -0.996 4.371 -1.686 228 HA ALA 28 HA ALA 28 -2.809 3.573 -3.895 229 1HB ALA 28 1HB ALA 28 -3.260 2.997 -0.941 230 2HB ALA 28 2HB ALA 28 -4.486 2.836 -2.209 231 3HB ALA 28 3HB ALA 28 -3.046 1.798 -2.234 232 H ILE 29 H ILE 29 -4.937 4.797 -3.647 233 HA ILE 29 HA ILE 29 -4.432 7.521 -2.507 234 HB ILE 29 HB ILE 29 -5.535 6.821 -5.243 235 1HG1 ILE 29 1HG1 ILE 29 -2.975 8.298 -4.435 236 2HG1 ILE 29 2HG1 ILE 29 -3.027 6.638 -5.023 237 1HG2 ILE 29 1HG2 ILE 29 -5.124 9.520 -3.899 238 2HG2 ILE 29 2HG2 ILE 29 -5.640 9.279 -5.583 239 3HG2 ILE 29 3HG2 ILE 29 -6.688 8.759 -4.280 240 1HD1 ILE 29 1HD1 ILE 29 -4.072 7.494 -7.165 241 2HD1 ILE 29 2HD1 ILE 29 -3.683 9.139 -6.605 242 3HD1 ILE 29 3HD1 ILE 29 -2.388 7.965 -6.864 243 H ILE 30 H ILE 30 -6.125 8.515 -1.559 244 HA ILE 30 HA ILE 30 -8.732 7.060 -1.414 245 HB ILE 30 HB ILE 30 -7.490 8.948 0.608 246 1HG1 ILE 30 1HG1 ILE 30 -7.809 5.919 0.800 247 2HG1 ILE 30 2HG1 ILE 30 -6.282 6.749 0.476 248 1HG2 ILE 30 1HG2 ILE 30 -9.993 8.958 0.539 249 2HG2 ILE 30 2HG2 ILE 30 -9.989 7.196 0.747 250 3HG2 ILE 30 3HG2 ILE 30 -9.386 8.266 2.029 251 1HD1 ILE 30 1HD1 ILE 30 -6.483 7.967 2.632 252 2HD1 ILE 30 2HD1 ILE 30 -7.910 6.981 3.031 253 3HD1 ILE 30 3HD1 ILE 30 -6.342 6.207 2.800 254 H TYR 31 H TYR 31 -10.243 7.993 -2.593 255 HA TYR 31 HA TYR 31 -10.233 10.915 -3.130 256 1HB TYR 31 1HB TYR 31 -11.787 8.576 -4.293 257 2HB TYR 31 2HB TYR 31 -12.101 10.260 -4.687 258 HD1 TYR 31 HD1 TYR 31 -9.457 7.594 -4.873 259 HD2 TYR 31 HD2 TYR 31 -10.848 11.409 -6.340 260 HE1 TYR 31 HE1 TYR 31 -7.699 7.574 -6.607 261 HE2 TYR 31 HE2 TYR 31 -9.117 11.357 -8.104 262 HH TYR 31 HH TYR 31 -7.327 10.217 -8.998 263 H GLY 32 H GLY 32 -12.200 12.085 -2.872 264 1HA GLY 32 1HA GLY 32 -14.162 11.025 -0.871 265 2HA GLY 32 2HA GLY 32 -13.566 12.692 -0.848 266 H GLY 33 H GLY 33 -14.127 14.092 -2.619 267 1HA GLY 33 1HA GLY 33 -15.290 13.625 -5.009 268 2HA GLY 33 2HA GLY 33 -16.690 13.500 -3.925 269 H LYS 34 H LYS 34 -13.810 15.653 -3.816 270 HA LYS 34 HA LYS 34 -15.152 17.996 -4.736 271 1HB LYS 34 1HB LYS 34 -16.304 17.883 -2.566 272 2HB LYS 34 2HB LYS 34 -14.763 17.770 -1.709 273 1HG LYS 34 1HG LYS 34 -14.145 20.037 -2.633 274 2HG LYS 34 2HG LYS 34 -15.743 20.131 -3.387 275 1HD LYS 34 1HD LYS 34 -15.186 19.841 -0.393 276 2HD LYS 34 2HD LYS 34 -15.523 21.365 -1.232 277 1HE LYS 34 1HE LYS 34 -17.756 20.464 -1.931 278 2HE LYS 34 2HE LYS 34 -17.446 19.008 -0.963 279 1HZ LYS 34 1HZ LYS 34 -17.564 21.747 0.073 280 2HZ LYS 34 2HZ LYS 34 -18.732 20.597 0.230 281 3HZ LYS 34 3HZ LYS 34 -17.272 20.393 0.964 282 H GLU 35 H GLU 35 -12.762 17.259 -2.165 283 HA GLU 35 HA GLU 35 -10.844 19.132 -3.321 284 1HB GLU 35 1HB GLU 35 -11.490 18.964 -0.896 285 2HB GLU 35 2HB GLU 35 -10.659 17.402 -0.817 286 1HG GLU 35 1HG GLU 35 -8.514 18.490 -1.306 287 2HG GLU 35 2HG GLU 35 -9.333 20.033 -1.629 288 H ALA 36 H ALA 36 -8.523 18.469 -3.465 289 HA ALA 36 HA ALA 36 -8.076 16.356 -5.244 290 1HB ALA 36 1HB ALA 36 -6.588 18.292 -5.025 291 2HB ALA 36 2HB ALA 36 -6.126 17.782 -3.385 292 3HB ALA 36 3HB ALA 36 -5.669 16.793 -4.786 293 HA PRO 37 HA PRO 37 -8.124 12.930 -2.471 294 1HB PRO 37 1HB PRO 37 -7.003 10.959 -3.911 295 2HB PRO 37 2HB PRO 37 -8.485 11.776 -4.467 296 1HG PRO 37 1HG PRO 37 -5.639 12.437 -5.297 297 2HG PRO 37 2HG PRO 37 -7.017 12.061 -6.374 298 1HD PRO 37 1HD PRO 37 -6.389 14.628 -5.773 299 2HD PRO 37 2HD PRO 37 -8.102 14.109 -5.845 300 H LEU 38 H LEU 38 -6.804 11.406 -1.235 301 HA LEU 38 HA LEU 38 -4.188 12.610 -0.484 302 1HB LEU 38 1HB LEU 38 -6.061 10.739 1.015 303 2HB LEU 38 2HB LEU 38 -4.528 11.367 1.607 304 HG LEU 38 HG LEU 38 -6.246 12.571 2.644 305 1HD1 LEU 38 1HD1 LEU 38 -4.261 13.892 1.923 306 2HD1 LEU 38 2HD1 LEU 38 -5.170 14.436 0.491 307 3HD1 LEU 38 3HD1 LEU 38 -5.730 14.867 2.116 308 1HD2 LEU 38 1HD2 LEU 38 -8.060 12.136 0.950 309 2HD2 LEU 38 2HD2 LEU 38 -8.034 13.761 1.658 310 3HD2 LEU 38 3HD2 LEU 38 -7.434 13.519 0.018 311 H ALA 39 H ALA 39 -2.528 11.670 -1.511 312 HA ALA 39 HA ALA 39 -2.462 8.813 -2.164 313 1HB ALA 39 1HB ALA 39 -0.399 11.028 -2.445 314 2HB ALA 39 2HB ALA 39 -0.222 9.363 -3.048 315 3HB ALA 39 3HB ALA 39 -1.485 10.420 -3.711 316 H ILE 40 H ILE 40 -1.711 7.279 -0.830 317 HA ILE 40 HA ILE 40 -0.076 7.951 1.545 318 HB ILE 40 HB ILE 40 -1.713 6.518 2.874 319 1HG1 ILE 40 1HG1 ILE 40 -4.112 6.701 2.093 320 2HG1 ILE 40 2HG1 ILE 40 -3.539 7.012 0.463 321 1HG2 ILE 40 1HG2 ILE 40 -1.550 8.983 3.055 322 2HG2 ILE 40 2HG2 ILE 40 -2.798 9.149 1.803 323 3HG2 ILE 40 3HG2 ILE 40 -3.182 8.381 3.350 324 1HD1 ILE 40 1HD1 ILE 40 -3.074 4.518 2.156 325 2HD1 ILE 40 2HD1 ILE 40 -4.189 4.680 0.790 326 3HD1 ILE 40 3HD1 ILE 40 -2.445 4.738 0.504 327 H GLU 41 H GLU 41 0.679 5.955 2.695 328 HA GLU 41 HA GLU 41 1.762 3.992 0.819 329 1HB GLU 41 1HB GLU 41 1.799 4.190 3.868 330 2HB GLU 41 2HB GLU 41 2.607 2.918 2.957 331 1HG GLU 41 1HG GLU 41 3.241 5.870 2.833 332 2HG GLU 41 2HG GLU 41 4.183 4.627 3.647 333 H LEU 42 H LEU 42 1.371 1.713 0.963 334 HA LEU 42 HA LEU 42 -0.738 0.750 2.715 335 1HB LEU 42 1HB LEU 42 -1.564 1.474 0.149 336 2HB LEU 42 2HB LEU 42 -1.071 -0.196 -0.102 337 HG LEU 42 HG LEU 42 -2.505 -0.724 2.016 338 1HD1 LEU 42 1HD1 LEU 42 -3.521 2.057 1.257 339 2HD1 LEU 42 2HD1 LEU 42 -4.447 0.916 2.232 340 3HD1 LEU 42 3HD1 LEU 42 -2.904 1.536 2.836 341 1HD2 LEU 42 1HD2 LEU 42 -3.090 -1.421 -0.263 342 2HD2 LEU 42 2HD2 LEU 42 -4.525 -0.955 0.651 343 3HD2 LEU 42 3HD2 LEU 42 -3.856 0.155 -0.568 344 H ASP 43 H ASP 43 -0.290 -1.372 3.338 345 HA ASP 43 HA ASP 43 2.202 -2.575 2.453 346 1HB ASP 43 1HB ASP 43 -0.100 -3.766 4.030 347 2HB ASP 43 2HB ASP 43 1.512 -4.469 3.864 348 H HIS 44 H HIS 44 2.238 -4.816 1.533 349 HA HIS 44 HA HIS 44 0.114 -5.245 -0.529 350 1HB HIS 44 1HB HIS 44 2.374 -5.024 -1.415 351 2HB HIS 44 2HB HIS 44 2.947 -6.258 -0.299 352 HD1 HIS 44 HD1 HIS 44 2.133 -8.812 -0.790 353 HD2 HIS 44 HD2 HIS 44 1.278 -5.889 -3.693 354 HE1 HIS 44 HE1 HIS 44 1.582 -10.063 -2.945 355 H ASP 45 H ASP 45 2.300 -7.154 1.594 356 HA ASP 45 HA ASP 45 0.800 -9.532 1.536 357 1HB ASP 45 1HB ASP 45 3.140 -9.456 2.185 358 2HB ASP 45 2HB ASP 45 2.773 -8.449 3.594 359 H LYS 46 H LYS 46 0.976 -7.057 4.138 360 HA LYS 46 HA LYS 46 -0.680 -8.345 5.919 361 1HB LYS 46 1HB LYS 46 0.844 -6.372 6.351 362 2HB LYS 46 2HB LYS 46 -0.386 -5.331 5.629 363 1HG LYS 46 1HG LYS 46 -0.615 -5.171 7.978 364 2HG LYS 46 2HG LYS 46 -2.011 -6.095 7.407 365 1HD LYS 46 1HD LYS 46 -0.918 -8.204 8.126 366 2HD LYS 46 2HD LYS 46 0.546 -7.302 8.576 367 1HE LYS 46 1HE LYS 46 -0.776 -6.043 10.271 368 2HE LYS 46 2HE LYS 46 -2.221 -6.972 9.823 369 1HZ LYS 46 1HZ LYS 46 -1.069 -8.956 10.504 370 2HZ LYS 46 2HZ LYS 46 0.266 -8.085 10.924 371 3HZ LYS 46 3HZ LYS 46 -1.146 -7.874 11.745 372 H VAL 47 H VAL 47 -1.640 -5.827 3.516 373 HA VAL 47 HA VAL 47 -4.391 -5.860 4.298 374 HB VAL 47 HB VAL 47 -4.854 -4.574 2.319 375 1HG1 VAL 47 1HG1 VAL 47 -3.868 -3.494 4.335 376 2HG1 VAL 47 2HG1 VAL 47 -2.265 -3.611 3.579 377 3HG1 VAL 47 3HG1 VAL 47 -3.536 -2.638 2.817 378 1HG2 VAL 47 1HG2 VAL 47 -1.985 -5.146 1.502 379 2HG2 VAL 47 2HG2 VAL 47 -3.454 -5.671 0.656 380 3HG2 VAL 47 3HG2 VAL 47 -3.051 -3.949 0.730 381 H MET 48 H MET 48 -2.564 -8.042 2.185 382 HA MET 48 HA MET 48 -4.619 -8.787 0.470 383 1HB MET 48 1HB MET 48 -2.047 -9.535 0.675 384 2HB MET 48 2HB MET 48 -2.790 -10.973 1.383 385 1HG MET 48 1HG MET 48 -3.292 -9.723 -1.348 386 2HG MET 48 2HG MET 48 -2.469 -11.248 -1.012 387 1HE MET 48 1HE MET 48 -4.789 -10.698 -3.223 388 2HE MET 48 2HE MET 48 -4.022 -12.299 -3.060 389 3HE MET 48 3HE MET 48 -5.791 -12.155 -3.041 390 H ASN 49 H ASN 49 -3.900 -9.865 3.772 391 HA ASN 49 HA ASN 49 -5.709 -11.934 4.194 392 1HB ASN 49 1HB ASN 49 -4.031 -11.148 5.817 393 2HB ASN 49 2HB ASN 49 -4.932 -9.643 6.040 394 1HD2 ASN 49 2HD2 ASN 49 -5.243 -13.218 6.351 395 2HD2 ASN 49 1HD2 ASN 49 -6.365 -13.165 7.694 396 H MET 50 H MET 50 -6.327 -8.399 4.187 397 HA MET 50 HA MET 50 -9.148 -8.690 4.892 398 1HB MET 50 1HB MET 50 -7.548 -6.270 3.949 399 2HB MET 50 2HB MET 50 -9.239 -6.274 4.452 400 1HG MET 50 1HG MET 50 -8.073 -5.514 6.300 401 2HG MET 50 2HG MET 50 -8.493 -7.180 6.698 402 1HE MET 50 1HE MET 50 -6.792 -6.969 8.766 403 2HE MET 50 2HE MET 50 -5.096 -6.460 8.594 404 3HE MET 50 3HE MET 50 -6.406 -5.298 8.284 405 H GLN 51 H GLN 51 -7.197 -8.051 1.947 406 HA GLN 51 HA GLN 51 -9.225 -7.355 0.177 407 1HB GLN 51 1HB GLN 51 -6.638 -8.821 -0.321 408 2HB GLN 51 2HB GLN 51 -7.684 -8.280 -1.619 409 1HG GLN 51 1HG GLN 51 -6.633 -6.342 0.482 410 2HG GLN 51 2HG GLN 51 -5.719 -6.770 -0.967 411 1HE2 GLN 51 2HE2 GLN 51 -5.980 -4.272 -1.040 412 2HE2 GLN 51 1HE2 GLN 51 -7.342 -3.698 -1.980 413 H ALA 52 H ALA 52 -7.704 -10.585 0.324 414 HA ALA 52 HA ALA 52 -8.363 -12.642 -0.195 415 1HB ALA 52 1HB ALA 52 -9.848 -12.371 1.719 416 2HB ALA 52 2HB ALA 52 -11.143 -11.748 0.680 417 3HB ALA 52 3HB ALA 52 -10.574 -13.415 0.482 418 H LYS 53 H LYS 53 -11.295 -10.888 -1.314 419 HA LYS 53 HA LYS 53 -10.668 -11.354 -4.112 420 1HB LYS 53 1HB LYS 53 -11.530 -13.545 -3.245 421 2HB LYS 53 2HB LYS 53 -13.078 -12.793 -2.894 422 1HG LYS 53 1HG LYS 53 -13.372 -12.325 -5.335 423 2HG LYS 53 2HG LYS 53 -11.727 -12.912 -5.638 424 1HD LYS 53 1HD LYS 53 -12.396 -15.143 -4.673 425 2HD LYS 53 2HD LYS 53 -14.065 -14.547 -4.570 426 1HE LYS 53 1HE LYS 53 -14.078 -14.206 -7.035 427 2HE LYS 53 2HE LYS 53 -12.390 -14.746 -7.120 428 1HZ LYS 53 1HZ LYS 53 -13.093 -16.866 -6.267 429 2HZ LYS 53 2HZ LYS 53 -14.670 -16.377 -6.242 430 3HZ LYS 53 3HZ LYS 53 -13.858 -16.505 -7.674 431 H ALA 54 H ALA 54 -14.054 -11.181 -3.518 432 HA ALA 54 HA ALA 54 -14.051 -8.353 -4.309 433 1HB ALA 54 1HB ALA 54 -15.460 -9.960 -5.508 434 2HB ALA 54 2HB ALA 54 -16.305 -10.369 -3.996 435 3HB ALA 54 3HB ALA 54 -16.446 -8.735 -4.683 436 H GLU 55 H GLU 55 -14.743 -10.334 -1.497 437 HA GLU 55 HA GLU 55 -16.641 -8.994 -0.154 438 1HB GLU 55 1HB GLU 55 -15.513 -11.178 0.427 439 2HB GLU 55 2HB GLU 55 -14.190 -10.250 1.148 440 1HG GLU 55 1HG GLU 55 -15.743 -10.998 2.870 441 2HG GLU 55 2HG GLU 55 -15.819 -9.238 2.760 442 H PHE 56 H PHE 56 -13.228 -8.097 -0.238 443 HA PHE 56 HA PHE 56 -12.690 -6.456 1.747 444 1HB PHE 56 1HB PHE 56 -11.299 -6.947 -0.215 445 2HB PHE 56 2HB PHE 56 -12.185 -5.798 -1.177 446 HD1 PHE 56 HD1 PHE 56 -10.265 -5.968 2.076 447 HD2 PHE 56 HD2 PHE 56 -11.339 -3.576 -1.337 448 HE1 PHE 56 HE1 PHE 56 -8.368 -4.438 2.549 449 HE2 PHE 56 HE2 PHE 56 -9.459 -2.041 -0.855 450 HZ PHE 56 HZ PHE 56 -7.933 -2.501 1.059 451 H TYR 57 H TYR 57 -14.276 -5.198 -1.192 452 HA TYR 57 HA TYR 57 -14.910 -2.628 0.051 453 1HB TYR 57 1HB TYR 57 -15.970 -2.243 -2.261 454 2HB TYR 57 2HB TYR 57 -14.228 -2.350 -2.109 455 HD1 TYR 57 HD1 TYR 57 -17.220 -4.063 -3.480 456 HD2 TYR 57 HD2 TYR 57 -12.947 -4.224 -2.978 457 HE1 TYR 57 HE1 TYR 57 -17.053 -5.691 -5.342 458 HE2 TYR 57 HE2 TYR 57 -12.767 -5.783 -4.873 459 HH TYR 57 HH TYR 57 -15.641 -6.929 -6.683 460 H SER 58 H SER 58 -16.622 -5.615 -0.831 461 HA SER 58 HA SER 58 -19.221 -4.781 -0.973 462 1HB SER 58 1HB SER 58 -18.248 -7.339 0.347 463 2HB SER 58 2HB SER 58 -19.836 -7.061 -0.382 464 HG SER 58 HG SER 58 -18.308 -8.126 -1.772 465 H GLU 59 H GLU 59 -17.618 -5.888 2.098 466 HA GLU 59 HA GLU 59 -19.972 -5.043 3.615 467 1HB GLU 59 1HB GLU 59 -18.932 -6.065 5.498 468 2HB GLU 59 2HB GLU 59 -18.864 -7.157 4.113 469 1HG GLU 59 1HG GLU 59 -16.494 -6.689 3.782 470 2HG GLU 59 2HG GLU 59 -16.522 -5.412 5.006 471 H VAL 60 H VAL 60 -17.605 -3.131 2.386 472 HA VAL 60 HA VAL 60 -16.857 -1.085 2.831 473 HB VAL 60 HB VAL 60 -18.575 -0.995 5.354 474 1HG1 VAL 60 1HG1 VAL 60 -17.557 1.225 3.557 475 2HG1 VAL 60 2HG1 VAL 60 -18.626 1.412 4.952 476 3HG1 VAL 60 3HG1 VAL 60 -16.970 0.874 5.205 477 1HG2 VAL 60 1HG2 VAL 60 -19.280 -0.298 2.467 478 2HG2 VAL 60 2HG2 VAL 60 -20.034 -1.578 3.442 479 3HG2 VAL 60 3HG2 VAL 60 -20.268 0.112 3.885 480 H LEU 61 H LEU 61 -15.217 0.068 4.198 481 HA LEU 61 HA LEU 61 -14.027 -1.490 6.365 482 1HB LEU 61 1HB LEU 61 -11.949 -1.906 5.338 483 2HB LEU 61 2HB LEU 61 -13.209 -2.669 4.379 484 HG LEU 61 HG LEU 61 -11.887 -0.013 3.655 485 1HD1 LEU 61 1HD1 LEU 61 -11.294 -2.835 2.706 486 2HD1 LEU 61 2HD1 LEU 61 -10.581 -1.344 2.054 487 3HD1 LEU 61 3HD1 LEU 61 -10.237 -1.828 3.721 488 1HD2 LEU 61 1HD2 LEU 61 -13.591 -1.972 2.034 489 2HD2 LEU 61 2HD2 LEU 61 -14.037 -0.314 2.442 490 3HD2 LEU 61 3HD2 LEU 61 -12.702 -0.610 1.337 491 H THR 62 H THR 62 -11.764 -0.414 6.928 492 HA THR 62 HA THR 62 -11.990 2.536 6.723 493 HB THR 62 HB THR 62 -11.618 1.000 9.325 494 HG1 THR 62 HG1 THR 62 -13.665 1.705 9.798 495 1HG2 THR 62 1HG2 THR 62 -11.975 3.973 8.801 496 2HG2 THR 62 2HG2 THR 62 -11.924 3.190 10.391 497 3HG2 THR 62 3HG2 THR 62 -10.480 3.191 9.369 498 H ILE 63 H ILE 63 -10.087 3.617 6.726 499 HA ILE 63 HA ILE 63 -7.554 2.038 6.771 500 HB ILE 63 HB ILE 63 -8.162 4.646 5.335 501 1HG1 ILE 63 1HG1 ILE 63 -7.847 1.858 4.127 502 2HG1 ILE 63 2HG1 ILE 63 -9.389 2.704 4.325 503 1HG2 ILE 63 1HG2 ILE 63 -5.772 4.299 6.045 504 2HG2 ILE 63 2HG2 ILE 63 -5.757 2.774 5.149 505 3HG2 ILE 63 3HG2 ILE 63 -5.951 4.318 4.300 506 1HD1 ILE 63 1HD1 ILE 63 -8.524 4.588 2.936 507 2HD1 ILE 63 2HD1 ILE 63 -7.097 3.589 2.547 508 3HD1 ILE 63 3HD1 ILE 63 -8.715 3.048 2.098 509 H VAL 64 H VAL 64 -6.099 2.642 8.306 510 HA VAL 64 HA VAL 64 -6.628 5.010 10.025 511 HB VAL 64 HB VAL 64 -4.713 2.668 10.346 512 1HG1 VAL 64 1HG1 VAL 64 -5.411 4.999 12.194 513 2HG1 VAL 64 2HG1 VAL 64 -4.466 3.572 12.666 514 3HG1 VAL 64 3HG1 VAL 64 -3.826 4.687 11.457 515 1HG2 VAL 64 1HG2 VAL 64 -7.361 3.352 11.698 516 2HG2 VAL 64 2HG2 VAL 64 -7.050 1.964 10.627 517 3HG2 VAL 64 3HG2 VAL 64 -6.255 2.060 12.207 518 H VAL 65 H VAL 65 -5.982 6.701 8.661 519 HA VAL 65 HA VAL 65 -3.240 6.669 7.509 520 HB VAL 65 HB VAL 65 -5.446 8.755 7.288 521 1HG1 VAL 65 1HG1 VAL 65 -2.784 8.412 5.822 522 2HG1 VAL 65 2HG1 VAL 65 -4.036 9.612 5.426 523 3HG1 VAL 65 3HG1 VAL 65 -3.175 9.714 6.964 524 1HG2 VAL 65 1HG2 VAL 65 -4.550 6.585 5.344 525 2HG2 VAL 65 2HG2 VAL 65 -6.135 6.700 6.152 526 3HG2 VAL 65 3HG2 VAL 65 -5.652 7.915 4.961 527 H ASP 66 H ASP 66 -2.076 6.635 9.477 528 HA ASP 66 HA ASP 66 -1.109 7.419 11.372 529 1HB ASP 66 1HB ASP 66 -1.483 10.102 9.965 530 2HB ASP 66 2HB ASP 66 -0.373 9.777 11.306 531 H GLY 67 H GLY 67 -3.412 6.697 12.172 532 1HA GLY 67 1HA GLY 67 -4.948 6.927 13.843 533 2HA GLY 67 2HA GLY 67 -4.102 8.390 14.367 534 H LYS 68 H LYS 68 -5.723 7.654 11.251 535 HA LYS 68 HA LYS 68 -7.998 9.435 11.922 536 1HB LYS 68 1HB LYS 68 -6.440 9.590 9.307 537 2HB LYS 68 2HB LYS 68 -7.973 10.388 9.670 538 1HG LYS 68 1HG LYS 68 -6.881 11.660 11.508 539 2HG LYS 68 2HG LYS 68 -5.325 10.905 11.097 540 1HD LYS 68 1HD LYS 68 -5.440 11.846 8.822 541 2HD LYS 68 2HD LYS 68 -7.012 12.592 9.195 542 1HE LYS 68 1HE LYS 68 -5.948 13.937 10.992 543 2HE LYS 68 2HE LYS 68 -4.377 13.195 10.621 544 1HZ LYS 68 1HZ LYS 68 -5.974 14.834 8.777 545 2HZ LYS 68 2HZ LYS 68 -4.626 15.325 9.584 546 3HZ LYS 68 3HZ LYS 68 -4.513 14.149 8.438 547 H GLU 69 H GLU 69 -9.498 7.899 12.023 548 HA GLU 69 HA GLU 69 -9.397 5.450 10.484 549 1HB GLU 69 1HB GLU 69 -11.347 6.620 12.509 550 2HB GLU 69 2HB GLU 69 -11.550 5.038 11.756 551 1HG GLU 69 1HG GLU 69 -10.515 4.775 13.935 552 2HG GLU 69 2HG GLU 69 -9.410 4.260 12.657 553 H ILE 70 H ILE 70 -9.423 6.571 8.373 554 HA ILE 70 HA ILE 70 -11.822 7.962 7.511 555 HB ILE 70 HB ILE 70 -9.428 6.921 5.946 556 1HG1 ILE 70 1HG1 ILE 70 -10.135 9.685 7.056 557 2HG1 ILE 70 2HG1 ILE 70 -8.825 8.634 7.605 558 1HG2 ILE 70 1HG2 ILE 70 -11.459 7.201 4.515 559 2HG2 ILE 70 2HG2 ILE 70 -11.665 8.832 5.157 560 3HG2 ILE 70 3HG2 ILE 70 -10.261 8.428 4.151 561 1HD1 ILE 70 1HD1 ILE 70 -7.838 8.779 5.274 562 2HD1 ILE 70 2HD1 ILE 70 -8.999 10.092 4.957 563 3HD1 ILE 70 3HD1 ILE 70 -7.803 10.263 6.248 564 H LYS 71 H LYS 71 -13.658 6.812 7.407 565 HA LYS 71 HA LYS 71 -13.816 4.017 6.680 566 1HB LYS 71 1HB LYS 71 -15.910 6.199 7.001 567 2HB LYS 71 2HB LYS 71 -16.274 4.500 6.638 568 1HG LYS 71 1HG LYS 71 -15.151 3.776 8.690 569 2HG LYS 71 2HG LYS 71 -14.762 5.456 9.109 570 1HD LYS 71 1HD LYS 71 -17.154 6.020 9.197 571 2HD LYS 71 2HD LYS 71 -17.595 4.369 8.733 572 1HE LYS 71 1HE LYS 71 -16.056 5.126 11.262 573 2HE LYS 71 2HE LYS 71 -17.800 4.816 11.186 574 1HZ LYS 71 1HZ LYS 71 -17.325 2.597 10.442 575 2HZ LYS 71 2HZ LYS 71 -15.702 2.868 10.532 576 3HZ LYS 71 3HZ LYS 71 -16.617 2.888 11.901 577 H VAL 72 H VAL 72 -13.885 3.178 4.688 578 HA VAL 72 HA VAL 72 -14.639 4.857 2.353 579 HB VAL 72 HB VAL 72 -12.855 3.826 1.051 580 1HG1 VAL 72 1HG1 VAL 72 -12.464 6.018 2.186 581 2HG1 VAL 72 2HG1 VAL 72 -11.715 5.140 3.541 582 3HG1 VAL 72 3HG1 VAL 72 -10.978 5.086 1.935 583 1HG2 VAL 72 1HG2 VAL 72 -11.918 2.587 3.676 584 2HG2 VAL 72 2HG2 VAL 72 -12.524 1.734 2.235 585 3HG2 VAL 72 3HG2 VAL 72 -11.004 2.620 2.159 586 H LYS 73 H LYS 73 -15.516 3.686 0.615 587 HA LYS 73 HA LYS 73 -16.415 0.887 1.177 588 1HB LYS 73 1HB LYS 73 -18.239 2.450 0.777 589 2HB LYS 73 2HB LYS 73 -17.523 2.945 -0.770 590 1HG LYS 73 1HG LYS 73 -17.740 0.654 -1.642 591 2HG LYS 73 2HG LYS 73 -18.361 0.077 -0.091 592 1HD LYS 73 1HD LYS 73 -19.720 2.194 -1.825 593 2HD LYS 73 2HD LYS 73 -20.066 0.458 -1.900 594 1HE LYS 73 1HE LYS 73 -20.703 0.485 0.519 595 2HE LYS 73 2HE LYS 73 -20.487 2.247 0.537 596 1HZ LYS 73 1HZ LYS 73 -22.375 0.768 -1.147 597 2HZ LYS 73 2HZ LYS 73 -22.750 1.635 0.201 598 3HZ LYS 73 3HZ LYS 73 -22.176 2.404 -1.138 599 H ALA 74 H ALA 74 -14.976 3.112 -1.215 600 HA ALA 74 HA ALA 74 -13.378 2.846 -2.749 601 1HB ALA 74 1HB ALA 74 -12.372 1.116 -1.182 602 2HB ALA 74 2HB ALA 74 -13.130 -0.123 -2.199 603 3HB ALA 74 3HB ALA 74 -11.944 0.984 -2.898 604 H GLN 75 H GLN 75 -13.058 2.143 -4.928 605 HA GLN 75 HA GLN 75 -15.410 0.801 -6.190 606 1HB GLN 75 1HB GLN 75 -14.058 3.407 -6.995 607 2HB GLN 75 2HB GLN 75 -15.168 2.500 -8.035 608 1HG GLN 75 1HG GLN 75 -15.920 3.602 -5.282 609 2HG GLN 75 2HG GLN 75 -16.198 4.424 -6.817 610 1HE2 GLN 75 2HE2 GLN 75 -17.175 1.644 -4.818 611 2HE2 GLN 75 1HE2 GLN 75 -18.652 1.319 -5.703 612 H ASP 76 H ASP 76 -12.377 2.238 -7.531 613 HA ASP 76 HA ASP 76 -11.900 -0.291 -8.918 614 1HB ASP 76 1HB ASP 76 -11.560 1.791 -10.117 615 2HB ASP 76 2HB ASP 76 -10.322 2.294 -8.959 616 H VAL 77 H VAL 77 -11.744 -1.517 -6.997 617 HA VAL 77 HA VAL 77 -9.187 -1.460 -5.498 618 HB VAL 77 HB VAL 77 -11.583 -3.347 -5.407 619 1HG1 VAL 77 1HG1 VAL 77 -9.245 -4.218 -4.582 620 2HG1 VAL 77 2HG1 VAL 77 -9.463 -3.055 -3.262 621 3HG1 VAL 77 3HG1 VAL 77 -10.633 -4.358 -3.502 622 1HG2 VAL 77 1HG2 VAL 77 -10.768 -0.994 -3.646 623 2HG2 VAL 77 2HG2 VAL 77 -12.246 -1.128 -4.624 624 3HG2 VAL 77 3HG2 VAL 77 -12.020 -2.164 -3.213 625 H GLN 78 H GLN 78 -7.819 -1.703 -7.349 626 HA GLN 78 HA GLN 78 -8.274 -3.851 -9.239 627 1HB GLN 78 1HB GLN 78 -7.336 -1.497 -9.649 628 2HB GLN 78 2HB GLN 78 -5.792 -2.120 -9.055 629 1HG GLN 78 1HG GLN 78 -5.879 -3.912 -10.799 630 2HG GLN 78 2HG GLN 78 -7.386 -3.205 -11.413 631 1HE2 GLN 78 2HE2 GLN 78 -7.124 -0.604 -11.664 632 2HE2 GLN 78 1HE2 GLN 78 -5.707 -0.147 -12.583 633 H ARG 79 H ARG 79 -8.273 -5.285 -7.144 634 HA ARG 79 HA ARG 79 -5.585 -6.327 -6.506 635 1HB ARG 79 1HB ARG 79 -6.707 -7.692 -4.827 636 2HB ARG 79 2HB ARG 79 -7.054 -5.977 -4.643 637 1HG ARG 79 1HG ARG 79 -8.997 -7.207 -4.129 638 2HG ARG 79 2HG ARG 79 -9.320 -6.330 -5.618 639 1HD ARG 79 1HD ARG 79 -8.301 -9.137 -5.947 640 2HD ARG 79 2HD ARG 79 -9.840 -9.008 -5.146 641 HE ARG 79 HE ARG 79 -9.217 -8.273 -7.928 642 1HH1 ARG 79 1HH2 ARG 79 -11.667 -8.139 -5.321 643 2HH1 ARG 79 2HH2 ARG 79 -12.944 -7.650 -6.404 644 1HH2 ARG 79 1HH1 ARG 79 -10.936 -7.716 -9.310 645 2HH2 ARG 79 2HH1 ARG 79 -12.540 -7.457 -8.674 646 H HIS 80 H HIS 80 -5.375 -8.754 -6.495 647 HA HIS 80 HA HIS 80 -6.823 -10.043 -8.744 648 1HB HIS 80 1HB HIS 80 -4.567 -9.209 -9.434 649 2HB HIS 80 2HB HIS 80 -3.844 -10.320 -8.261 650 HD1 HIS 80 HD1 HIS 80 -4.997 -13.031 -8.774 651 HD2 HIS 80 HD2 HIS 80 -4.657 -10.147 -11.822 652 HE1 HIS 80 HE1 HIS 80 -5.161 -14.284 -10.992 653 HA PRO 81 HA PRO 81 -7.072 -12.847 -5.158 654 1HB PRO 81 1HB PRO 81 -9.059 -14.487 -5.987 655 2HB PRO 81 2HB PRO 81 -9.362 -12.769 -5.597 656 1HG PRO 81 1HG PRO 81 -8.867 -13.969 -8.339 657 2HG PRO 81 2HG PRO 81 -10.224 -12.915 -7.847 658 1HD PRO 81 1HD PRO 81 -7.962 -11.962 -9.055 659 2HD PRO 81 2HD PRO 81 -8.831 -11.009 -7.813 660 H TYR 82 H TYR 82 -6.852 -15.220 -4.837 661 HA TYR 82 HA TYR 82 -5.922 -17.225 -5.088 662 1HB TYR 82 1HB TYR 82 -5.489 -16.879 -8.060 663 2HB TYR 82 2HB TYR 82 -5.745 -18.342 -7.132 664 HD1 TYR 82 HD1 TYR 82 -7.210 -16.461 -9.556 665 HD2 TYR 82 HD2 TYR 82 -8.183 -18.037 -5.658 666 HE1 TYR 82 HE1 TYR 82 -9.612 -16.379 -10.122 667 HE2 TYR 82 HE2 TYR 82 -10.592 -17.917 -6.217 668 HH TYR 82 HH TYR 82 -11.747 -16.842 -9.436 669 H LYS 83 H LYS 83 -4.211 -15.246 -7.522 670 HA LYS 83 HA LYS 83 -1.666 -15.556 -6.017 671 1HB LYS 83 1HB LYS 83 -0.467 -15.227 -8.074 672 2HB LYS 83 2HB LYS 83 -1.537 -16.621 -8.153 673 1HG LYS 83 1HG LYS 83 -2.098 -15.818 -10.174 674 2HG LYS 83 2HG LYS 83 -3.202 -14.803 -9.266 675 1HD LYS 83 1HD LYS 83 -2.123 -13.317 -10.734 676 2HD LYS 83 2HD LYS 83 -1.254 -13.054 -9.214 677 1HE LYS 83 1HE LYS 83 0.546 -14.610 -10.017 678 2HE LYS 83 2HE LYS 83 -0.357 -14.842 -11.525 679 1HZ LYS 83 1HZ LYS 83 -0.122 -12.508 -11.950 680 2HZ LYS 83 2HZ LYS 83 0.727 -12.299 -10.550 681 3HZ LYS 83 3HZ LYS 83 1.352 -13.221 -11.765 682 HA PRO 84 HA PRO 84 -2.693 -11.270 -5.322 683 1HB PRO 84 1HB PRO 84 -0.628 -10.456 -3.784 684 2HB PRO 84 2HB PRO 84 -1.765 -11.711 -3.225 685 1HG PRO 84 1HG PRO 84 0.931 -12.169 -4.528 686 2HG PRO 84 2HG PRO 84 0.330 -12.857 -2.989 687 1HD PRO 84 1HD PRO 84 0.142 -14.227 -5.335 688 2HD PRO 84 2HD PRO 84 -1.170 -14.298 -4.117 689 H LYS 85 H LYS 85 -2.182 -9.195 -6.014 690 HA LYS 85 HA LYS 85 0.329 -8.643 -7.450 691 1HB LYS 85 1HB LYS 85 -2.465 -8.408 -8.636 692 2HB LYS 85 2HB LYS 85 -1.156 -7.373 -9.185 693 1HG LYS 85 1HG LYS 85 -0.874 -10.395 -9.196 694 2HG LYS 85 2HG LYS 85 -1.626 -9.534 -10.534 695 1HD LYS 85 1HD LYS 85 1.080 -8.606 -9.541 696 2HD LYS 85 2HD LYS 85 0.981 -10.030 -10.579 697 1HE LYS 85 1HE LYS 85 0.078 -8.836 -12.397 698 2HE LYS 85 2HE LYS 85 -0.427 -7.471 -11.395 699 1HZ LYS 85 1HZ LYS 85 2.373 -8.176 -11.913 700 2HZ LYS 85 2HZ LYS 85 1.525 -6.997 -12.693 701 3HZ LYS 85 3HZ LYS 85 1.806 -6.865 -11.079 702 H LEU 86 H LEU 86 -2.883 -7.230 -6.714 703 HA LEU 86 HA LEU 86 -3.518 -5.241 -5.862 704 1HB LEU 86 1HB LEU 86 -1.090 -5.440 -4.049 705 2HB LEU 86 2HB LEU 86 -2.622 -4.609 -3.761 706 HG LEU 86 HG LEU 86 -2.143 -7.618 -3.853 707 1HD1 LEU 86 1HD1 LEU 86 -2.955 -5.680 -1.648 708 2HD1 LEU 86 2HD1 LEU 86 -2.813 -7.441 -1.461 709 3HD1 LEU 86 3HD1 LEU 86 -1.376 -6.475 -1.830 710 1HD2 LEU 86 1HD2 LEU 86 -4.748 -6.061 -3.518 711 2HD2 LEU 86 2HD2 LEU 86 -4.345 -7.239 -4.795 712 3HD2 LEU 86 3HD2 LEU 86 -4.545 -7.784 -3.127 713 H GLN 87 H GLN 87 -2.738 -4.560 -8.120 714 HA GLN 87 HA GLN 87 -0.269 -3.225 -8.486 715 1HB GLN 87 1HB GLN 87 -2.941 -2.961 -9.935 716 2HB GLN 87 2HB GLN 87 -1.431 -2.239 -10.507 717 1HG GLN 87 1HG GLN 87 -1.907 -5.222 -10.078 718 2HG GLN 87 2HG GLN 87 -1.939 -4.378 -11.628 719 1HE2 GLN 87 2HE2 GLN 87 0.110 -3.104 -12.198 720 2HE2 GLN 87 1HE2 GLN 87 1.642 -3.838 -11.779 721 H HIS 88 H HIS 88 -3.541 -1.829 -7.952 722 HA HIS 88 HA HIS 88 -2.452 0.310 -6.327 723 1HB HIS 88 1HB HIS 88 -2.101 1.116 -8.704 724 2HB HIS 88 2HB HIS 88 -3.851 1.021 -8.941 725 HD1 HIS 88 HD1 HIS 88 -5.277 3.026 -7.855 726 HD2 HIS 88 HD2 HIS 88 -1.176 2.937 -6.869 727 HE1 HIS 88 HE1 HIS 88 -4.778 5.167 -6.582 728 H ILE 89 H ILE 89 -4.202 1.451 -5.224 729 HA ILE 89 HA ILE 89 -6.921 0.281 -5.572 730 HB ILE 89 HB ILE 89 -5.566 0.778 -2.900 731 1HG1 ILE 89 1HG1 ILE 89 -4.630 -1.255 -3.991 732 2HG1 ILE 89 2HG1 ILE 89 -5.491 -1.554 -2.488 733 1HG2 ILE 89 1HG2 ILE 89 -8.317 -0.281 -3.665 734 2HG2 ILE 89 2HG2 ILE 89 -7.630 -0.387 -2.037 735 3HG2 ILE 89 3HG2 ILE 89 -7.940 1.195 -2.773 736 1HD1 ILE 89 1HD1 ILE 89 -6.686 -2.029 -5.251 737 2HD1 ILE 89 2HD1 ILE 89 -5.928 -3.260 -4.227 738 3HD1 ILE 89 3HD1 ILE 89 -7.398 -2.443 -3.684 739 H ASP 90 H ASP 90 -8.241 1.865 -6.083 740 HA ASP 90 HA ASP 90 -7.689 4.663 -5.183 741 1HB ASP 90 1HB ASP 90 -9.438 3.587 -7.410 742 2HB ASP 90 2HB ASP 90 -9.250 5.288 -6.972 743 H PHE 91 H PHE 91 -8.425 4.326 -3.054 744 HA PHE 91 HA PHE 91 -10.995 3.169 -2.439 745 1HB PHE 91 1HB PHE 91 -9.225 5.002 -0.797 746 2HB PHE 91 2HB PHE 91 -10.589 4.081 -0.196 747 HD1 PHE 91 HD1 PHE 91 -7.032 3.998 -0.997 748 HD2 PHE 91 HD2 PHE 91 -10.492 1.583 -0.085 749 HE1 PHE 91 HE1 PHE 91 -5.567 2.219 -0.094 750 HE2 PHE 91 HE2 PHE 91 -9.014 -0.179 0.820 751 HZ PHE 91 HZ PHE 91 -6.557 0.141 0.851 752 H VAL 92 H VAL 92 -12.792 4.354 -1.472 753 HA VAL 92 HA VAL 92 -13.106 7.192 -2.241 754 HB VAL 92 HB VAL 92 -15.048 4.975 -3.042 755 1HG1 VAL 92 1HG1 VAL 92 -15.111 7.992 -3.506 756 2HG1 VAL 92 2HG1 VAL 92 -16.250 6.819 -4.200 757 3HG1 VAL 92 3HG1 VAL 92 -16.210 7.072 -2.453 758 1HG2 VAL 92 1HG2 VAL 92 -13.198 6.697 -4.747 759 2HG2 VAL 92 2HG2 VAL 92 -13.154 4.927 -4.578 760 3HG2 VAL 92 3HG2 VAL 92 -14.517 5.705 -5.384 761 H ARG 93 H ARG 93 -14.120 8.252 -0.613 762 HA ARG 93 HA ARG 93 -14.581 7.338 1.920 763 1HB ARG 93 1HB ARG 93 -15.875 9.544 0.301 764 2HB ARG 93 2HB ARG 93 -16.347 9.289 1.977 765 1HG ARG 93 1HG ARG 93 -13.430 9.687 1.204 766 2HG ARG 93 2HG ARG 93 -14.545 11.030 1.520 767 1HD ARG 93 1HD ARG 93 -15.062 10.074 3.753 768 2HD ARG 93 2HD ARG 93 -13.805 8.841 3.500 769 HE ARG 93 HE ARG 93 -12.485 11.187 3.002 770 1HH1 ARG 93 1HH2 ARG 93 -14.387 10.012 5.764 771 2HH1 ARG 93 2HH2 ARG 93 -13.532 10.992 6.928 772 1HH2 ARG 93 1HH1 ARG 93 -11.366 12.454 4.541 773 2HH2 ARG 93 2HH1 ARG 93 -11.800 12.376 6.230 774 H ALA 94 H ALA 94 -16.170 6.390 3.110 775 HA ALA 94 HA ALA 94 -18.188 4.816 1.790 776 1HB ALA 94 1HB ALA 94 -17.084 4.095 3.875 777 2HB ALA 94 2HB ALA 94 -17.775 5.488 4.734 778 3HB ALA 94 3HB ALA 94 -18.839 4.215 4.098 Start of MODEL 2 1 H MET 1 H MET 1 -15.507 -1.725 7.641 2 HA MET 1 HA MET 1 -14.983 -2.107 10.489 3 1HB MET 1 1HB MET 1 -15.780 -3.886 8.172 4 2HB MET 1 2HB MET 1 -15.182 -4.589 9.675 5 1HG MET 1 1HG MET 1 -17.561 -4.568 9.646 6 2HG MET 1 2HG MET 1 -16.957 -3.598 10.980 7 1HE MET 1 1HE MET 1 -17.879 -1.275 11.539 8 2HE MET 1 2HE MET 1 -16.737 -0.614 10.350 9 3HE MET 1 3HE MET 1 -18.429 -0.108 10.321 10 H PHE 2 H PHE 2 -13.386 -3.270 7.448 11 HA PHE 2 HA PHE 2 -11.166 -4.442 8.757 12 1HB PHE 2 1HB PHE 2 -11.294 -3.222 5.979 13 2HB PHE 2 2HB PHE 2 -10.021 -4.263 6.585 14 HD1 PHE 2 HD1 PHE 2 -13.553 -4.182 5.421 15 HD2 PHE 2 HD2 PHE 2 -10.283 -6.663 6.758 16 HE1 PHE 2 HE1 PHE 2 -14.514 -6.110 4.219 17 HE2 PHE 2 HE2 PHE 2 -11.329 -8.618 5.648 18 HZ PHE 2 HZ PHE 2 -13.437 -8.340 4.359 19 H THR 3 H THR 3 -9.509 -3.530 9.837 20 HA THR 3 HA THR 3 -9.085 -0.639 9.827 21 HB THR 3 HB THR 3 -7.664 -2.851 11.366 22 HG1 THR 3 HG1 THR 3 -9.951 -1.301 11.979 23 1HG2 THR 3 1HG2 THR 3 -6.469 -0.650 11.373 24 2HG2 THR 3 2HG2 THR 3 -7.969 0.138 11.913 25 3HG2 THR 3 3HG2 THR 3 -7.154 -1.040 12.960 26 H ILE 4 H ILE 4 -8.224 -0.194 7.738 27 HA ILE 4 HA ILE 4 -5.852 -1.669 6.812 28 HB ILE 4 HB ILE 4 -7.072 0.765 5.507 29 1HG1 ILE 4 1HG1 ILE 4 -8.959 -0.652 5.732 30 2HG1 ILE 4 2HG1 ILE 4 -8.387 -0.695 4.071 31 1HG2 ILE 4 1HG2 ILE 4 -4.871 0.107 4.702 32 2HG2 ILE 4 2HG2 ILE 4 -5.438 -1.551 4.434 33 3HG2 ILE 4 3HG2 ILE 4 -6.108 -0.212 3.478 34 1HD1 ILE 4 1HD1 ILE 4 -7.318 -2.902 4.482 35 2HD1 ILE 4 2HD1 ILE 4 -7.900 -2.856 6.166 36 3HD1 ILE 4 3HD1 ILE 4 -9.056 -2.905 4.829 37 H ASN 5 H ASN 5 -4.248 -1.189 8.356 38 HA ASN 5 HA ASN 5 -3.626 1.463 9.242 39 1HB ASN 5 1HB ASN 5 -1.961 -1.073 9.131 40 2HB ASN 5 2HB ASN 5 -1.452 0.424 9.929 41 1HD2 ASN 5 2HD2 ASN 5 -2.834 1.269 11.716 42 2HD2 ASN 5 1HD2 ASN 5 -3.731 0.122 12.687 43 H ALA 6 H ALA 6 -2.596 3.103 8.227 44 HA ALA 6 HA ALA 6 -0.775 2.580 5.960 45 1HB ALA 6 1HB ALA 6 -3.057 2.741 4.971 46 2HB ALA 6 2HB ALA 6 -3.276 4.311 5.773 47 3HB ALA 6 3HB ALA 6 -2.037 4.122 4.513 48 H GLU 7 H GLU 7 0.211 4.619 5.205 49 HA GLU 7 HA GLU 7 0.713 6.539 7.452 50 1HB GLU 7 1HB GLU 7 2.665 5.362 5.436 51 2HB GLU 7 2HB GLU 7 3.066 6.526 6.703 52 1HG GLU 7 1HG GLU 7 1.959 3.734 7.315 53 2HG GLU 7 2HG GLU 7 3.662 4.086 7.119 54 H VAL 8 H VAL 8 1.614 8.591 6.675 55 HA VAL 8 HA VAL 8 0.030 9.632 4.470 56 HB VAL 8 HB VAL 8 0.956 11.814 5.194 57 1HG1 VAL 8 1HG1 VAL 8 -1.137 10.915 6.119 58 2HG1 VAL 8 2HG1 VAL 8 -0.234 10.114 7.424 59 3HG1 VAL 8 3HG1 VAL 8 -0.259 11.885 7.313 60 1HG2 VAL 8 1HG2 VAL 8 3.171 11.007 6.137 61 2HG2 VAL 8 2HG2 VAL 8 2.241 12.036 7.233 62 3HG2 VAL 8 3HG2 VAL 8 2.278 10.288 7.490 63 H ARG 9 H ARG 9 1.431 7.914 3.194 64 HA ARG 9 HA ARG 9 2.798 7.464 1.550 65 1HB ARG 9 1HB ARG 9 1.431 9.688 0.877 66 2HB ARG 9 2HB ARG 9 3.050 10.299 0.606 67 1HG ARG 9 1HG ARG 9 1.731 7.817 -0.601 68 2HG ARG 9 2HG ARG 9 2.091 9.335 -1.429 69 1HD ARG 9 1HD ARG 9 4.141 7.357 -0.354 70 2HD ARG 9 2HD ARG 9 3.684 7.547 -2.033 71 HE ARG 9 HE ARG 9 5.327 9.340 -0.362 72 1HH1 ARG 9 1HH2 ARG 9 3.616 9.044 -3.463 73 2HH1 ARG 9 2HH2 ARG 9 4.648 10.193 -4.277 74 1HH2 ARG 9 1HH1 ARG 9 6.735 10.731 -1.476 75 2HH2 ARG 9 2HH1 ARG 9 6.404 11.199 -3.124 76 H LYS 10 H LYS 10 4.236 7.417 3.790 77 HA LYS 10 HA LYS 10 6.429 9.258 3.858 78 1HB LYS 10 1HB LYS 10 7.219 8.056 5.714 79 2HB LYS 10 2HB LYS 10 5.458 8.103 5.830 80 1HG LYS 10 1HG LYS 10 5.386 5.743 4.959 81 2HG LYS 10 2HG LYS 10 7.164 5.732 4.918 82 1HD LYS 10 1HD LYS 10 7.169 6.306 7.381 83 2HD LYS 10 2HD LYS 10 5.407 6.109 7.368 84 1HE LYS 10 1HE LYS 10 5.794 3.738 6.483 85 2HE LYS 10 2HE LYS 10 7.523 3.988 6.772 86 1HZ LYS 10 1HZ LYS 10 5.420 4.202 8.814 87 2HZ LYS 10 2HZ LYS 10 6.409 2.898 8.597 88 3HZ LYS 10 3HZ LYS 10 7.039 4.349 9.073 89 H GLU 11 H GLU 11 5.964 6.158 2.321 90 HA GLU 11 HA GLU 11 7.105 4.905 0.906 91 1HB GLU 11 1HB GLU 11 9.072 7.214 0.612 92 2HB GLU 11 2HB GLU 11 8.933 5.806 -0.434 93 1HG GLU 11 1HG GLU 11 6.478 6.429 -0.793 94 2HG GLU 11 2HG GLU 11 6.827 7.937 0.069 95 H GLN 12 H GLN 12 9.785 6.558 2.606 96 HA GLN 12 HA GLN 12 10.235 4.250 4.299 97 1HB GLN 12 1HB GLN 12 11.511 3.686 2.180 98 2HB GLN 12 2HB GLN 12 12.508 5.119 2.465 99 1HG GLN 12 1HG GLN 12 13.239 4.162 4.640 100 2HG GLN 12 2HG GLN 12 12.161 2.778 4.383 101 1HE2 GLN 12 2HE2 GLN 12 14.181 1.502 4.686 102 2HE2 GLN 12 1HE2 GLN 12 15.221 1.255 3.299 103 H GLY 13 H GLY 13 9.279 6.182 5.399 104 1HA GLY 13 1HA GLY 13 9.618 7.625 7.145 105 2HA GLY 13 2HA GLY 13 11.360 7.635 6.846 106 H LYS 14 H LYS 14 11.976 8.738 4.665 107 HA LYS 14 HA LYS 14 10.523 11.354 4.547 108 1HB LYS 14 1HB LYS 14 12.658 11.219 5.893 109 2HB LYS 14 2HB LYS 14 13.525 10.934 4.377 110 1HG LYS 14 1HG LYS 14 12.674 13.138 3.527 111 2HG LYS 14 2HG LYS 14 11.760 13.346 5.033 112 1HD LYS 14 1HD LYS 14 13.879 13.313 6.323 113 2HD LYS 14 2HD LYS 14 14.794 13.085 4.816 114 1HE LYS 14 1HE LYS 14 13.948 15.263 3.971 115 2HE LYS 14 2HE LYS 14 13.014 15.484 5.466 116 1HZ LYS 14 1HZ LYS 14 15.937 15.276 5.289 117 2HZ LYS 14 2HZ LYS 14 15.069 16.659 5.516 118 3HZ LYS 14 3HZ LYS 14 15.068 15.486 6.674 119 H GLY 15 H GLY 15 9.564 9.700 2.772 120 1HA GLY 15 1HA GLY 15 8.998 9.637 0.599 121 2HA GLY 15 2HA GLY 15 9.705 11.251 0.509 122 H ALA 16 H ALA 16 11.319 8.059 0.985 123 HA ALA 16 HA ALA 16 13.172 8.658 -1.249 124 1HB ALA 16 1HB ALA 16 14.109 7.946 0.883 125 2HB ALA 16 2HB ALA 16 13.172 6.441 0.814 126 3HB ALA 16 3HB ALA 16 14.433 6.757 -0.395 127 H SER 17 H SER 17 11.588 8.448 -2.938 128 HA SER 17 HA SER 17 10.125 5.983 -3.309 129 1HB SER 17 1HB SER 17 9.527 8.447 -4.005 130 2HB SER 17 2HB SER 17 10.493 8.119 -5.435 131 HG SER 17 HG SER 17 8.188 6.797 -4.467 132 H ARG 18 H ARG 18 12.667 5.070 -3.110 133 HA ARG 18 HA ARG 18 13.366 4.173 -5.859 134 1HB ARG 18 1HB ARG 18 15.408 5.255 -3.847 135 2HB ARG 18 2HB ARG 18 15.744 4.489 -5.403 136 1HG ARG 18 1HG ARG 18 15.951 6.668 -6.006 137 2HG ARG 18 2HG ARG 18 14.271 6.361 -6.433 138 1HD ARG 18 1HD ARG 18 14.147 7.256 -3.744 139 2HD ARG 18 2HD ARG 18 15.492 8.176 -4.428 140 HE ARG 18 HE ARG 18 13.223 8.200 -6.201 141 1HH1 ARG 18 1HH2 ARG 18 14.370 9.634 -3.160 142 2HH1 ARG 18 2HH2 ARG 18 13.339 11.034 -3.285 143 1HH2 ARG 18 1HH1 ARG 18 11.926 10.068 -6.383 144 2HH2 ARG 18 2HH1 ARG 18 11.955 11.292 -5.141 145 H ARG 19 H ARG 19 11.834 2.677 -4.168 146 HA ARG 19 HA ARG 19 13.476 0.355 -4.004 147 1HB ARG 19 1HB ARG 19 13.805 1.794 -1.696 148 2HB ARG 19 2HB ARG 19 12.314 0.964 -1.286 149 1HG ARG 19 1HG ARG 19 14.054 -0.416 -0.477 150 2HG ARG 19 2HG ARG 19 13.512 -1.223 -1.961 151 1HD ARG 19 1HD ARG 19 15.431 -0.150 -3.186 152 2HD ARG 19 2HD ARG 19 15.917 0.647 -1.677 153 HE ARG 19 HE ARG 19 15.776 -2.124 -1.174 154 1HH1 ARG 19 1HH2 ARG 19 17.674 0.121 -3.165 155 2HH1 ARG 19 2HH2 ARG 19 19.097 -0.888 -3.178 156 1HH2 ARG 19 1HH1 ARG 19 17.657 -3.444 -1.199 157 2HH2 ARG 19 2HH1 ARG 19 19.086 -2.923 -2.053 158 H LEU 20 H LEU 20 10.455 1.812 -2.740 159 HA LEU 20 HA LEU 20 9.048 -0.623 -2.625 160 1HB LEU 20 1HB LEU 20 7.103 0.734 -2.141 161 2HB LEU 20 2HB LEU 20 8.527 1.358 -1.315 162 HG LEU 20 HG LEU 20 8.609 2.855 -3.645 163 1HD1 LEU 20 1HD1 LEU 20 6.417 1.930 -4.440 164 2HD1 LEU 20 2HD1 LEU 20 5.661 2.496 -2.936 165 3HD1 LEU 20 3HD1 LEU 20 6.330 3.664 -4.094 166 1HD2 LEU 20 1HD2 LEU 20 7.072 3.501 -1.106 167 2HD2 LEU 20 2HD2 LEU 20 8.823 3.692 -1.358 168 3HD2 LEU 20 3HD2 LEU 20 7.678 4.672 -2.298 169 H ARG 21 H ARG 21 9.745 1.329 -5.394 170 HA ARG 21 HA ARG 21 7.438 0.590 -6.982 171 1HB ARG 21 1HB ARG 21 10.148 1.711 -7.808 172 2HB ARG 21 2HB ARG 21 8.683 1.628 -8.803 173 1HG ARG 21 1HG ARG 21 7.531 3.108 -7.101 174 2HG ARG 21 2HG ARG 21 9.099 3.299 -6.284 175 1HD ARG 21 1HD ARG 21 10.068 4.147 -8.440 176 2HD ARG 21 2HD ARG 21 8.446 4.029 -9.161 177 HE ARG 21 HE ARG 21 8.701 5.638 -6.692 178 1HH1 ARG 21 1HH2 ARG 21 8.687 5.751 -10.255 179 2HH1 ARG 21 2HH2 ARG 21 8.293 7.449 -10.304 180 1HH2 ARG 21 1HH1 ARG 21 8.215 7.811 -6.786 181 2HH2 ARG 21 2HH1 ARG 21 8.007 8.640 -8.317 182 H ALA 22 H ALA 22 7.766 -1.754 -6.235 183 HA ALA 22 HA ALA 22 8.856 -3.350 -8.389 184 1HB ALA 22 1HB ALA 22 10.243 -3.396 -5.666 185 2HB ALA 22 2HB ALA 22 10.457 -4.610 -6.946 186 3HB ALA 22 3HB ALA 22 10.973 -2.938 -7.216 187 H ALA 23 H ALA 23 8.161 -3.595 -4.858 188 HA ALA 23 HA ALA 23 5.758 -5.155 -5.184 189 1HB ALA 23 1HB ALA 23 8.308 -6.630 -4.383 190 2HB ALA 23 2HB ALA 23 6.657 -7.273 -4.254 191 3HB ALA 23 3HB ALA 23 7.347 -6.927 -5.847 192 H ASN 24 H ASN 24 8.577 -4.425 -3.101 193 HA ASN 24 HA ASN 24 7.307 -4.913 -0.602 194 1HB ASN 24 1HB ASN 24 9.730 -3.215 -1.331 195 2HB ASN 24 2HB ASN 24 9.278 -3.698 0.313 196 1HD2 ASN 24 2HD2 ASN 24 11.784 -4.324 -0.533 197 2HD2 ASN 24 1HD2 ASN 24 11.915 -6.044 -0.830 198 H LYS 25 H LYS 25 5.331 -3.863 -0.578 199 HA LYS 25 HA LYS 25 3.840 -2.288 -0.099 200 1HB LYS 25 1HB LYS 25 6.055 -0.201 0.207 201 2HB LYS 25 2HB LYS 25 4.375 -0.056 0.671 202 1HG LYS 25 1HG LYS 25 4.855 -0.822 2.685 203 2HG LYS 25 2HG LYS 25 5.241 -2.406 1.993 204 1HD LYS 25 1HD LYS 25 7.594 -1.700 1.676 205 2HD LYS 25 2HD LYS 25 7.206 -0.101 2.348 206 1HE LYS 25 1HE LYS 25 6.551 -1.142 4.489 207 2HE LYS 25 2HE LYS 25 6.866 -2.757 3.823 208 1HZ LYS 25 1HZ LYS 25 8.865 -0.641 4.177 209 2HZ LYS 25 2HZ LYS 25 8.668 -1.974 5.132 210 3HZ LYS 25 3HZ LYS 25 9.147 -2.148 3.563 211 H PHE 26 H PHE 26 2.796 -0.328 -1.065 212 HA PHE 26 HA PHE 26 3.800 0.602 -3.617 213 1HB PHE 26 1HB PHE 26 1.972 -0.283 -4.972 214 2HB PHE 26 2HB PHE 26 2.869 -1.601 -4.250 215 HD1 PHE 26 HD1 PHE 26 -0.311 0.249 -4.289 216 HD2 PHE 26 HD2 PHE 26 1.812 -3.067 -2.560 217 HE1 PHE 26 HE1 PHE 26 -2.388 -0.482 -3.168 218 HE2 PHE 26 HE2 PHE 26 -0.319 -3.922 -1.609 219 HZ PHE 26 HZ PHE 26 -2.400 -2.574 -1.819 220 HA PRO 27 HA PRO 27 1.216 3.910 -2.178 221 1HB PRO 27 1HB PRO 27 0.902 5.479 -4.374 222 2HB PRO 27 2HB PRO 27 2.497 5.216 -3.608 223 1HG PRO 27 1HG PRO 27 1.347 3.756 -6.008 224 2HG PRO 27 2HG PRO 27 2.950 4.532 -5.868 225 1HD PRO 27 1HD PRO 27 2.594 1.863 -5.444 226 2HD PRO 27 2HD PRO 27 3.761 2.810 -4.477 227 H ALA 28 H ALA 28 -0.971 4.305 -1.909 228 HA ALA 28 HA ALA 28 -2.916 3.459 -4.006 229 1HB ALA 28 1HB ALA 28 -2.951 1.761 -2.192 230 2HB ALA 28 2HB ALA 28 -3.245 3.058 -1.010 231 3HB ALA 28 3HB ALA 28 -4.453 2.705 -2.260 232 H ILE 29 H ILE 29 -4.943 4.717 -3.821 233 HA ILE 29 HA ILE 29 -4.448 7.452 -2.732 234 HB ILE 29 HB ILE 29 -5.460 6.637 -5.472 235 1HG1 ILE 29 1HG1 ILE 29 -2.984 8.210 -4.595 236 2HG1 ILE 29 2HG1 ILE 29 -2.976 6.539 -5.158 237 1HG2 ILE 29 1HG2 ILE 29 -6.717 8.614 -4.630 238 2HG2 ILE 29 2HG2 ILE 29 -5.176 9.441 -4.322 239 3HG2 ILE 29 3HG2 ILE 29 -5.671 9.020 -5.973 240 1HD1 ILE 29 1HD1 ILE 29 -3.935 7.339 -7.359 241 2HD1 ILE 29 2HD1 ILE 29 -3.610 9.001 -6.807 242 3HD1 ILE 29 3HD1 ILE 29 -2.278 7.854 -6.989 243 H ILE 30 H ILE 30 -6.160 8.522 -1.890 244 HA ILE 30 HA ILE 30 -8.786 7.109 -1.748 245 HB ILE 30 HB ILE 30 -7.664 9.239 0.104 246 1HG1 ILE 30 1HG1 ILE 30 -8.027 6.253 0.622 247 2HG1 ILE 30 2HG1 ILE 30 -6.472 7.051 0.348 248 1HG2 ILE 30 1HG2 ILE 30 -10.138 9.272 -0.129 249 2HG2 ILE 30 2HG2 ILE 30 -10.199 7.543 0.269 250 3HG2 ILE 30 3HG2 ILE 30 -9.670 8.738 1.472 251 1HD1 ILE 30 1HD1 ILE 30 -6.874 8.503 2.341 252 2HD1 ILE 30 2HD1 ILE 30 -8.325 7.539 2.710 253 3HD1 ILE 30 3HD1 ILE 30 -6.740 6.775 2.709 254 H TYR 31 H TYR 31 -10.265 7.917 -3.035 255 HA TYR 31 HA TYR 31 -10.268 10.778 -3.868 256 1HB TYR 31 1HB TYR 31 -11.756 8.311 -4.859 257 2HB TYR 31 2HB TYR 31 -12.114 9.946 -5.381 258 HD1 TYR 31 HD1 TYR 31 -9.308 7.427 -5.280 259 HD2 TYR 31 HD2 TYR 31 -11.013 10.883 -7.230 260 HE1 TYR 31 HE1 TYR 31 -7.545 7.331 -7.009 261 HE2 TYR 31 HE2 TYR 31 -9.296 10.728 -8.999 262 HH TYR 31 HH TYR 31 -7.421 9.629 -9.755 263 H GLY 32 H GLY 32 -12.430 11.846 -3.767 264 1HA GLY 32 1HA GLY 32 -14.585 10.780 -2.262 265 2HA GLY 32 2HA GLY 32 -13.571 11.779 -1.194 266 H GLY 33 H GLY 33 -16.341 12.210 -2.199 267 1HA GLY 33 1HA GLY 33 -16.271 14.526 -3.979 268 2HA GLY 33 2HA GLY 33 -17.656 13.861 -3.098 269 H LYS 34 H LYS 34 -14.534 15.491 -2.480 270 HA LYS 34 HA LYS 34 -15.729 17.494 -0.727 271 1HB LYS 34 1HB LYS 34 -15.567 15.566 0.787 272 2HB LYS 34 2HB LYS 34 -13.846 15.371 0.410 273 1HG LYS 34 1HG LYS 34 -13.370 17.613 1.345 274 2HG LYS 34 2HG LYS 34 -15.082 17.861 1.680 275 1HD LYS 34 1HD LYS 34 -13.244 15.736 2.898 276 2HD LYS 34 2HD LYS 34 -13.790 17.217 3.689 277 1HE LYS 34 1HE LYS 34 -15.509 14.816 2.920 278 2HE LYS 34 2HE LYS 34 -15.068 15.364 4.541 279 1HZ LYS 34 1HZ LYS 34 -16.310 17.372 4.134 280 2HZ LYS 34 2HZ LYS 34 -16.746 16.834 2.636 281 3HZ LYS 34 3HZ LYS 34 -17.259 16.031 3.980 282 H GLU 35 H GLU 35 -12.688 15.849 -1.754 283 HA GLU 35 HA GLU 35 -11.439 18.449 -2.356 284 1HB GLU 35 1HB GLU 35 -11.118 17.224 0.169 285 2HB GLU 35 2HB GLU 35 -9.695 16.692 -0.725 286 1HG GLU 35 1HG GLU 35 -9.171 19.069 -1.262 287 2HG GLU 35 2HG GLU 35 -10.629 19.579 -0.389 288 H ALA 36 H ALA 36 -9.125 18.008 -3.152 289 HA ALA 36 HA ALA 36 -9.196 16.260 -5.393 290 1HB ALA 36 1HB ALA 36 -7.806 18.288 -5.306 291 2HB ALA 36 2HB ALA 36 -6.852 17.603 -3.971 292 3HB ALA 36 3HB ALA 36 -6.778 16.869 -5.585 293 HA PRO 37 HA PRO 37 -8.097 12.463 -3.441 294 1HB PRO 37 1HB PRO 37 -6.703 11.101 -5.399 295 2HB PRO 37 2HB PRO 37 -8.459 11.406 -5.460 296 1HG PRO 37 1HG PRO 37 -6.250 13.031 -6.753 297 2HG PRO 37 2HG PRO 37 -7.731 12.400 -7.530 298 1HD PRO 37 1HD PRO 37 -7.609 14.942 -6.637 299 2HD PRO 37 2HD PRO 37 -9.097 13.985 -6.382 300 H LEU 38 H LEU 38 -6.379 11.423 -2.325 301 HA LEU 38 HA LEU 38 -3.674 12.595 -2.580 302 1HB LEU 38 1HB LEU 38 -3.445 12.907 -0.206 303 2HB LEU 38 2HB LEU 38 -4.658 13.955 -0.915 304 HG LEU 38 HG LEU 38 -5.223 13.252 1.299 305 1HD1 LEU 38 1HD1 LEU 38 -7.044 13.728 -0.341 306 2HD1 LEU 38 2HD1 LEU 38 -7.253 11.972 -0.553 307 3HD1 LEU 38 3HD1 LEU 38 -7.513 12.708 1.030 308 1HD2 LEU 38 1HD2 LEU 38 -4.154 10.973 1.252 309 2HD2 LEU 38 2HD2 LEU 38 -5.746 11.073 2.031 310 3HD2 LEU 38 3HD2 LEU 38 -5.611 10.386 0.414 311 H ALA 39 H ALA 39 -1.981 11.385 -1.660 312 HA ALA 39 HA ALA 39 -2.485 8.511 -2.120 313 1HB ALA 39 1HB ALA 39 -1.005 9.667 -3.675 314 2HB ALA 39 2HB ALA 39 0.035 10.183 -2.331 315 3HB ALA 39 3HB ALA 39 -0.109 8.456 -2.737 316 H ILE 40 H ILE 40 -1.370 6.913 -0.934 317 HA ILE 40 HA ILE 40 -0.093 7.552 1.635 318 HB ILE 40 HB ILE 40 -1.623 5.888 2.765 319 1HG1 ILE 40 1HG1 ILE 40 -3.510 6.382 0.415 320 2HG1 ILE 40 2HG1 ILE 40 -2.540 4.912 0.603 321 1HG2 ILE 40 1HG2 ILE 40 -1.813 8.405 3.002 322 2HG2 ILE 40 2HG2 ILE 40 -3.133 8.352 1.813 323 3HG2 ILE 40 3HG2 ILE 40 -3.283 7.503 3.357 324 1HD1 ILE 40 1HD1 ILE 40 -3.645 4.441 2.757 325 2HD1 ILE 40 2HD1 ILE 40 -4.654 5.887 2.546 326 3HD1 ILE 40 3HD1 ILE 40 -4.792 4.538 1.407 327 H GLU 41 H GLU 41 0.970 5.642 2.559 328 HA GLU 41 HA GLU 41 1.816 3.670 0.507 329 1HB GLU 41 1HB GLU 41 2.734 4.318 3.334 330 2HB GLU 41 2HB GLU 41 3.194 2.819 2.529 331 1HG GLU 41 1HG GLU 41 3.874 5.597 1.532 332 2HG GLU 41 2HG GLU 41 4.949 4.436 2.323 333 H LEU 42 H LEU 42 1.006 1.691 0.382 334 HA LEU 42 HA LEU 42 -0.298 0.432 2.757 335 1HB LEU 42 1HB LEU 42 -1.229 0.668 -0.078 336 2HB LEU 42 2HB LEU 42 -1.191 -0.975 0.557 337 HG LEU 42 HG LEU 42 -2.546 -0.305 2.505 338 1HD1 LEU 42 1HD1 LEU 42 -2.675 2.387 1.097 339 2HD1 LEU 42 2HD1 LEU 42 -3.833 1.857 2.336 340 3HD1 LEU 42 3HD1 LEU 42 -2.129 2.048 2.749 341 1HD2 LEU 42 1HD2 LEU 42 -3.513 -1.241 0.370 342 2HD2 LEU 42 2HD2 LEU 42 -4.624 -0.233 1.306 343 3HD2 LEU 42 3HD2 LEU 42 -3.842 0.426 -0.152 344 H ASP 43 H ASP 43 0.566 -1.507 3.327 345 HA ASP 43 HA ASP 43 2.990 -2.478 2.075 346 1HB ASP 43 1HB ASP 43 1.170 -3.658 4.204 347 2HB ASP 43 2HB ASP 43 2.720 -4.352 3.716 348 H HIS 44 H HIS 44 3.019 -4.993 1.627 349 HA HIS 44 HA HIS 44 0.681 -5.773 -0.073 350 1HB HIS 44 1HB HIS 44 2.664 -4.926 -1.366 351 2HB HIS 44 2HB HIS 44 3.602 -6.278 -0.738 352 HD1 HIS 44 HD1 HIS 44 1.960 -8.752 -1.236 353 HD2 HIS 44 HD2 HIS 44 1.865 -5.405 -3.783 354 HE1 HIS 44 HE1 HIS 44 1.107 -9.577 -3.507 355 H ASP 45 H ASP 45 0.338 -6.550 2.320 356 HA ASP 45 HA ASP 45 0.750 -9.417 2.303 357 1HB ASP 45 1HB ASP 45 2.911 -8.874 3.243 358 2HB ASP 45 2HB ASP 45 2.203 -7.704 4.363 359 H LYS 46 H LYS 46 0.276 -6.988 4.924 360 HA LYS 46 HA LYS 46 -1.854 -8.314 6.140 361 1HB LYS 46 1HB LYS 46 -2.183 -6.306 7.409 362 2HB LYS 46 2HB LYS 46 -0.453 -6.526 7.124 363 1HG LYS 46 1HG LYS 46 -0.764 -4.899 5.114 364 2HG LYS 46 2HG LYS 46 -2.343 -4.529 5.848 365 1HD LYS 46 1HD LYS 46 -1.044 -3.993 7.995 366 2HD LYS 46 2HD LYS 46 0.435 -4.118 7.011 367 1HE LYS 46 1HE LYS 46 -0.662 -2.418 5.408 368 2HE LYS 46 2HE LYS 46 -1.903 -2.197 6.654 369 1HZ LYS 46 1HZ LYS 46 -0.030 -1.617 8.153 370 2HZ LYS 46 2HZ LYS 46 0.966 -1.626 6.827 371 3HZ LYS 46 3HZ LYS 46 -0.297 -0.566 6.907 372 H VAL 47 H VAL 47 -1.911 -5.794 3.611 373 HA VAL 47 HA VAL 47 -4.742 -5.525 3.490 374 HB VAL 47 HB VAL 47 -4.354 -4.278 1.457 375 1HG1 VAL 47 1HG1 VAL 47 -3.907 -3.240 3.696 376 2HG1 VAL 47 2HG1 VAL 47 -2.179 -3.616 3.490 377 3HG1 VAL 47 3HG1 VAL 47 -2.985 -2.522 2.363 378 1HG2 VAL 47 1HG2 VAL 47 -2.589 -5.668 0.411 379 2HG2 VAL 47 2HG2 VAL 47 -2.124 -3.970 0.514 380 3HG2 VAL 47 3HG2 VAL 47 -1.442 -5.158 1.655 381 H MET 48 H MET 48 -2.483 -7.792 1.933 382 HA MET 48 HA MET 48 -4.195 -8.656 -0.169 383 1HB MET 48 1HB MET 48 -1.776 -9.083 -0.140 384 2HB MET 48 2HB MET 48 -1.941 -10.100 1.289 385 1HG MET 48 1HG MET 48 -1.689 -11.436 -0.700 386 2HG MET 48 2HG MET 48 -3.212 -11.754 0.119 387 1HE MET 48 1HE MET 48 -1.478 -9.997 -2.950 388 2HE MET 48 2HE MET 48 -2.880 -9.430 -3.887 389 3HE MET 48 3HE MET 48 -2.481 -8.675 -2.331 390 H ASN 49 H ASN 49 -3.605 -9.868 3.145 391 HA ASN 49 HA ASN 49 -5.508 -11.983 3.147 392 1HB ASN 49 1HB ASN 49 -4.373 -10.274 5.402 393 2HB ASN 49 2HB ASN 49 -5.439 -11.658 5.647 394 1HD2 ASN 49 2HD2 ASN 49 -2.198 -10.690 4.457 395 2HD2 ASN 49 1HD2 ASN 49 -1.507 -12.290 4.593 396 H MET 50 H MET 50 -5.801 -8.541 4.188 397 HA MET 50 HA MET 50 -8.465 -8.655 5.095 398 1HB MET 50 1HB MET 50 -6.839 -6.386 3.907 399 2HB MET 50 2HB MET 50 -8.431 -6.160 4.642 400 1HG MET 50 1HG MET 50 -7.692 -6.788 6.789 401 2HG MET 50 2HG MET 50 -6.204 -7.510 6.189 402 1HE MET 50 1HE MET 50 -4.788 -6.321 8.049 403 2HE MET 50 2HE MET 50 -4.824 -4.569 8.357 404 3HE MET 50 3HE MET 50 -6.261 -5.560 8.700 405 H GLN 51 H GLN 51 -7.229 -7.779 1.806 406 HA GLN 51 HA GLN 51 -9.860 -7.159 0.929 407 1HB GLN 51 1HB GLN 51 -8.952 -6.493 -1.124 408 2HB GLN 51 2HB GLN 51 -7.863 -6.012 0.161 409 1HG GLN 51 1HG GLN 51 -6.384 -6.759 -1.439 410 2HG GLN 51 2HG GLN 51 -6.522 -8.174 -0.390 411 1HE2 GLN 51 2HE2 GLN 51 -5.531 -9.021 -2.519 412 2HE2 GLN 51 1HE2 GLN 51 -6.668 -9.663 -3.685 413 H ALA 52 H ALA 52 -7.754 -9.953 0.210 414 HA ALA 52 HA ALA 52 -8.137 -11.989 -0.591 415 1HB ALA 52 1HB ALA 52 -9.632 -12.180 1.325 416 2HB ALA 52 2HB ALA 52 -11.007 -11.617 0.358 417 3HB ALA 52 3HB ALA 52 -10.205 -13.144 -0.047 418 H LYS 53 H LYS 53 -11.296 -10.532 -1.513 419 HA LYS 53 HA LYS 53 -10.575 -10.584 -4.358 420 1HB LYS 53 1HB LYS 53 -11.422 -12.878 -3.909 421 2HB LYS 53 2HB LYS 53 -12.921 -12.207 -3.288 422 1HG LYS 53 1HG LYS 53 -12.939 -11.000 -5.724 423 2HG LYS 53 2HG LYS 53 -11.856 -12.336 -6.115 424 1HD LYS 53 1HD LYS 53 -13.590 -13.947 -5.321 425 2HD LYS 53 2HD LYS 53 -14.647 -12.582 -4.895 426 1HE LYS 53 1HE LYS 53 -14.613 -11.845 -7.295 427 2HE LYS 53 2HE LYS 53 -13.664 -13.292 -7.695 428 1HZ LYS 53 1HZ LYS 53 -15.494 -14.613 -6.894 429 2HZ LYS 53 2HZ LYS 53 -16.362 -13.257 -6.536 430 3HZ LYS 53 3HZ LYS 53 -15.976 -13.598 -8.101 431 H ALA 54 H ALA 54 -13.945 -10.575 -3.437 432 HA ALA 54 HA ALA 54 -14.089 -7.689 -4.123 433 1HB ALA 54 1HB ALA 54 -15.131 -9.235 -5.706 434 2HB ALA 54 2HB ALA 54 -16.121 -9.931 -4.403 435 3HB ALA 54 3HB ALA 54 -16.354 -8.239 -4.892 436 H GLU 55 H GLU 55 -15.022 -10.117 -1.771 437 HA GLU 55 HA GLU 55 -17.027 -9.143 -0.266 438 1HB GLU 55 1HB GLU 55 -15.799 -11.256 0.016 439 2HB GLU 55 2HB GLU 55 -14.428 -10.385 0.722 440 1HG GLU 55 1HG GLU 55 -15.831 -9.690 2.630 441 2HG GLU 55 2HG GLU 55 -17.253 -10.432 1.876 442 H PHE 56 H PHE 56 -13.674 -8.010 -0.161 443 HA PHE 56 HA PHE 56 -13.408 -6.367 1.947 444 1HB PHE 56 1HB PHE 56 -11.855 -6.819 0.043 445 2HB PHE 56 2HB PHE 56 -12.732 -5.679 -0.944 446 HD1 PHE 56 HD1 PHE 56 -11.196 -5.758 2.529 447 HD2 PHE 56 HD2 PHE 56 -11.621 -3.627 -1.197 448 HE1 PHE 56 HE1 PHE 56 -9.220 -4.393 3.082 449 HE2 PHE 56 HE2 PHE 56 -9.674 -2.211 -0.603 450 HZ PHE 56 HZ PHE 56 -8.430 -2.631 1.512 451 H TYR 57 H TYR 57 -14.927 -5.295 -1.145 452 HA TYR 57 HA TYR 57 -15.845 -2.796 0.145 453 1HB TYR 57 1HB TYR 57 -16.340 -2.104 -2.182 454 2HB TYR 57 2HB TYR 57 -14.662 -2.468 -1.842 455 HD1 TYR 57 HD1 TYR 57 -17.702 -3.745 -3.588 456 HD2 TYR 57 HD2 TYR 57 -13.437 -4.114 -3.045 457 HE1 TYR 57 HE1 TYR 57 -17.553 -5.121 -5.642 458 HE2 TYR 57 HE2 TYR 57 -13.301 -5.477 -5.107 459 HH TYR 57 HH TYR 57 -14.420 -6.276 -6.934 460 H SER 58 H SER 58 -17.130 -5.654 0.449 461 HA SER 58 HA SER 58 -19.898 -4.956 -0.387 462 1HB SER 58 1HB SER 58 -18.830 -7.561 0.741 463 2HB SER 58 2HB SER 58 -20.410 -7.260 0.005 464 HG SER 58 HG SER 58 -19.241 -6.678 -1.931 465 H GLU 59 H GLU 59 -17.864 -4.564 2.344 466 HA GLU 59 HA GLU 59 -20.217 -4.372 4.154 467 1HB GLU 59 1HB GLU 59 -19.010 -5.586 5.879 468 2HB GLU 59 2HB GLU 59 -19.225 -6.596 4.443 469 1HG GLU 59 1HG GLU 59 -16.892 -6.129 3.745 470 2HG GLU 59 2HG GLU 59 -16.666 -5.090 5.160 471 H VAL 60 H VAL 60 -17.708 -2.673 2.835 472 HA VAL 60 HA VAL 60 -16.861 -0.697 3.236 473 HB VAL 60 HB VAL 60 -19.164 -0.519 4.753 474 1HG1 VAL 60 1HG1 VAL 60 -17.835 -0.895 6.893 475 2HG1 VAL 60 2HG1 VAL 60 -16.944 0.592 6.529 476 3HG1 VAL 60 3HG1 VAL 60 -18.692 0.647 6.801 477 1HG2 VAL 60 1HG2 VAL 60 -18.336 1.128 3.141 478 2HG2 VAL 60 2HG2 VAL 60 -18.835 1.881 4.663 479 3HG2 VAL 60 3HG2 VAL 60 -17.111 1.665 4.315 480 H LEU 61 H LEU 61 -15.108 0.370 4.308 481 HA LEU 61 HA LEU 61 -13.659 -1.141 6.394 482 1HB LEU 61 1HB LEU 61 -11.595 -1.060 4.972 483 2HB LEU 61 2HB LEU 61 -12.799 -2.264 4.533 484 HG LEU 61 HG LEU 61 -13.145 0.284 3.087 485 1HD1 LEU 61 1HD1 LEU 61 -10.656 -1.403 2.693 486 2HD1 LEU 61 2HD1 LEU 61 -11.257 -0.181 1.548 487 3HD1 LEU 61 3HD1 LEU 61 -10.716 0.306 3.169 488 1HD2 LEU 61 1HD2 LEU 61 -14.405 -1.789 2.533 489 2HD2 LEU 61 2HD2 LEU 61 -13.399 -1.261 1.178 490 3HD2 LEU 61 3HD2 LEU 61 -12.872 -2.617 2.190 491 H THR 62 H THR 62 -11.609 0.066 6.994 492 HA THR 62 HA THR 62 -12.004 3.011 6.867 493 HB THR 62 HB THR 62 -11.824 1.313 9.390 494 HG1 THR 62 HG1 THR 62 -13.926 2.059 9.701 495 1HG2 THR 62 1HG2 THR 62 -12.097 4.336 9.027 496 2HG2 THR 62 2HG2 THR 62 -12.212 3.456 10.566 497 3HG2 THR 62 3HG2 THR 62 -10.676 3.494 9.688 498 H ILE 63 H ILE 63 -10.136 3.926 6.336 499 HA ILE 63 HA ILE 63 -7.633 2.430 6.712 500 HB ILE 63 HB ILE 63 -8.032 5.054 5.255 501 1HG1 ILE 63 1HG1 ILE 63 -8.071 2.247 4.048 502 2HG1 ILE 63 2HG1 ILE 63 -9.481 3.298 4.232 503 1HG2 ILE 63 1HG2 ILE 63 -5.688 4.294 6.005 504 2HG2 ILE 63 2HG2 ILE 63 -5.882 2.907 4.925 505 3HG2 ILE 63 3HG2 ILE 63 -5.872 4.558 4.275 506 1HD1 ILE 63 1HD1 ILE 63 -8.436 5.006 2.808 507 2HD1 ILE 63 2HD1 ILE 63 -7.050 3.921 2.515 508 3HD1 ILE 63 3HD1 ILE 63 -8.662 3.460 1.980 509 H VAL 64 H VAL 64 -6.395 2.801 8.427 510 HA VAL 64 HA VAL 64 -6.676 5.266 10.048 511 HB VAL 64 HB VAL 64 -4.948 2.793 10.453 512 1HG1 VAL 64 1HG1 VAL 64 -5.609 5.135 12.291 513 2HG1 VAL 64 2HG1 VAL 64 -4.715 3.674 12.756 514 3HG1 VAL 64 3HG1 VAL 64 -4.020 4.788 11.575 515 1HG2 VAL 64 1HG2 VAL 64 -7.597 3.590 11.703 516 2HG2 VAL 64 2HG2 VAL 64 -7.321 2.208 10.622 517 3HG2 VAL 64 3HG2 VAL 64 -6.575 2.238 12.227 518 H VAL 65 H VAL 65 -5.889 6.789 8.483 519 HA VAL 65 HA VAL 65 -3.227 6.373 7.281 520 HB VAL 65 HB VAL 65 -3.591 8.504 6.174 521 1HG1 VAL 65 1HG1 VAL 65 -4.382 6.365 5.189 522 2HG1 VAL 65 2HG1 VAL 65 -5.989 6.653 5.903 523 3HG1 VAL 65 3HG1 VAL 65 -5.351 7.759 4.674 524 1HG2 VAL 65 1HG2 VAL 65 -5.078 9.721 7.781 525 2HG2 VAL 65 2HG2 VAL 65 -5.740 9.628 6.164 526 3HG2 VAL 65 3HG2 VAL 65 -6.371 8.557 7.429 527 H ASP 66 H ASP 66 -2.441 6.079 9.558 528 HA ASP 66 HA ASP 66 -1.397 6.705 11.425 529 1HB ASP 66 1HB ASP 66 0.170 7.836 9.946 530 2HB ASP 66 2HB ASP 66 -0.816 9.305 9.943 531 H GLY 67 H GLY 67 -3.342 6.541 12.583 532 1HA GLY 67 1HA GLY 67 -4.521 7.349 14.372 533 2HA GLY 67 2HA GLY 67 -4.146 9.019 13.934 534 H LYS 68 H LYS 68 -5.153 9.508 11.543 535 HA LYS 68 HA LYS 68 -7.917 9.773 12.087 536 1HB LYS 68 1HB LYS 68 -6.229 10.301 9.634 537 2HB LYS 68 2HB LYS 68 -7.979 10.575 9.643 538 1HG LYS 68 1HG LYS 68 -7.774 12.095 11.549 539 2HG LYS 68 2HG LYS 68 -6.013 11.862 11.583 540 1HD LYS 68 1HD LYS 68 -5.771 12.793 9.356 541 2HD LYS 68 2HD LYS 68 -7.524 12.902 9.137 542 1HE LYS 68 1HE LYS 68 -5.960 14.436 11.267 543 2HE LYS 68 2HE LYS 68 -6.426 15.082 9.684 544 1HZ LYS 68 1HZ LYS 68 -8.711 14.720 10.267 545 2HZ LYS 68 2HZ LYS 68 -8.285 14.149 11.754 546 3HZ LYS 68 3HZ LYS 68 -7.971 15.715 11.353 547 H GLU 69 H GLU 69 -9.405 8.262 12.035 548 HA GLU 69 HA GLU 69 -9.306 5.863 10.382 549 1HB GLU 69 1HB GLU 69 -11.359 7.021 12.320 550 2HB GLU 69 2HB GLU 69 -11.500 5.453 11.516 551 1HG GLU 69 1HG GLU 69 -9.382 4.719 12.573 552 2HG GLU 69 2HG GLU 69 -9.274 6.264 13.433 553 H ILE 70 H ILE 70 -9.295 6.893 8.244 554 HA ILE 70 HA ILE 70 -11.676 8.404 7.413 555 HB ILE 70 HB ILE 70 -9.248 7.423 5.866 556 1HG1 ILE 70 1HG1 ILE 70 -10.129 10.141 6.962 557 2HG1 ILE 70 2HG1 ILE 70 -8.745 9.176 7.491 558 1HG2 ILE 70 1HG2 ILE 70 -11.609 9.143 5.015 559 2HG2 ILE 70 2HG2 ILE 70 -10.146 8.880 4.037 560 3HG2 ILE 70 3HG2 ILE 70 -11.217 7.540 4.384 561 1HD1 ILE 70 1HD1 ILE 70 -7.818 9.418 5.121 562 2HD1 ILE 70 2HD1 ILE 70 -9.074 10.650 4.857 563 3HD1 ILE 70 3HD1 ILE 70 -7.864 10.891 6.120 564 H LYS 71 H LYS 71 -13.506 7.258 7.324 565 HA LYS 71 HA LYS 71 -13.676 4.484 6.606 566 1HB LYS 71 1HB LYS 71 -16.078 4.824 6.609 567 2HB LYS 71 2HB LYS 71 -15.280 5.439 8.061 568 1HG LYS 71 1HG LYS 71 -15.497 7.769 7.219 569 2HG LYS 71 2HG LYS 71 -16.204 7.170 5.721 570 1HD LYS 71 1HD LYS 71 -17.950 7.994 7.161 571 2HD LYS 71 2HD LYS 71 -18.133 6.260 6.887 572 1HE LYS 71 1HE LYS 71 -18.618 6.894 9.215 573 2HE LYS 71 2HE LYS 71 -17.268 5.757 9.128 574 1HZ LYS 71 1HZ LYS 71 -17.031 8.672 9.442 575 2HZ LYS 71 2HZ LYS 71 -16.855 7.550 10.638 576 3HZ LYS 71 3HZ LYS 71 -15.775 7.601 9.396 577 H VAL 72 H VAL 72 -13.872 3.529 4.657 578 HA VAL 72 HA VAL 72 -14.544 5.119 2.263 579 HB VAL 72 HB VAL 72 -12.722 4.113 0.983 580 1HG1 VAL 72 1HG1 VAL 72 -12.365 6.333 2.071 581 2HG1 VAL 72 2HG1 VAL 72 -11.577 5.492 3.429 582 3HG1 VAL 72 3HG1 VAL 72 -10.870 5.420 1.810 583 1HG2 VAL 72 1HG2 VAL 72 -11.827 2.887 3.619 584 2HG2 VAL 72 2HG2 VAL 72 -12.326 2.062 2.119 585 3HG2 VAL 72 3HG2 VAL 72 -10.836 2.986 2.152 586 H LYS 73 H LYS 73 -15.416 3.896 0.562 587 HA LYS 73 HA LYS 73 -16.626 1.328 1.415 588 1HB LYS 73 1HB LYS 73 -17.933 3.316 0.439 589 2HB LYS 73 2HB LYS 73 -17.216 2.878 -1.124 590 1HG LYS 73 1HG LYS 73 -18.178 0.570 -0.865 591 2HG LYS 73 2HG LYS 73 -18.865 1.064 0.695 592 1HD LYS 73 1HD LYS 73 -20.106 2.915 -0.533 593 2HD LYS 73 2HD LYS 73 -19.561 2.174 -2.055 594 1HE LYS 73 1HE LYS 73 -20.681 0.037 -1.371 595 2HE LYS 73 2HE LYS 73 -21.236 0.824 0.121 596 1HZ LYS 73 1HZ LYS 73 -22.443 2.384 -1.230 597 2HZ LYS 73 2HZ LYS 73 -21.959 1.618 -2.608 598 3HZ LYS 73 3HZ LYS 73 -22.920 0.833 -1.523 599 H ALA 74 H ALA 74 -14.595 2.796 -1.095 600 HA ALA 74 HA ALA 74 -13.049 2.038 -2.484 601 1HB ALA 74 1HB ALA 74 -12.355 0.487 -0.597 602 2HB ALA 74 2HB ALA 74 -13.281 -0.787 -1.394 603 3HB ALA 74 3HB ALA 74 -11.923 -0.038 -2.237 604 H GLN 75 H GLN 75 -13.025 1.364 -4.616 605 HA GLN 75 HA GLN 75 -15.266 -0.308 -5.635 606 1HB GLN 75 1HB GLN 75 -14.551 2.520 -6.520 607 2HB GLN 75 2HB GLN 75 -15.497 1.402 -7.511 608 1HG GLN 75 1HG GLN 75 -16.321 2.292 -4.711 609 2HG GLN 75 2HG GLN 75 -16.822 3.071 -6.210 610 1HE2 GLN 75 2HE2 GLN 75 -17.146 0.131 -4.238 611 2HE2 GLN 75 1HE2 GLN 75 -18.553 -0.490 -5.082 612 H ASP 76 H ASP 76 -12.719 1.704 -7.173 613 HA ASP 76 HA ASP 76 -11.955 -0.594 -8.799 614 1HB ASP 76 1HB ASP 76 -12.215 1.580 -9.824 615 2HB ASP 76 2HB ASP 76 -10.989 2.280 -8.770 616 H VAL 77 H VAL 77 -11.287 -1.901 -7.036 617 HA VAL 77 HA VAL 77 -8.641 -1.356 -5.829 618 HB VAL 77 HB VAL 77 -8.969 -3.629 -4.833 619 1HG1 VAL 77 1HG1 VAL 77 -11.049 -1.480 -4.253 620 2HG1 VAL 77 2HG1 VAL 77 -10.694 -2.858 -3.196 621 3HG1 VAL 77 3HG1 VAL 77 -9.439 -1.667 -3.520 622 1HG2 VAL 77 1HG2 VAL 77 -10.716 -4.577 -6.405 623 2HG2 VAL 77 2HG2 VAL 77 -11.166 -4.619 -4.706 624 3HG2 VAL 77 3HG2 VAL 77 -11.867 -3.390 -5.768 625 H GLN 78 H GLN 78 -6.886 -1.679 -7.113 626 HA GLN 78 HA GLN 78 -7.126 -3.397 -9.484 627 1HB GLN 78 1HB GLN 78 -5.993 -1.043 -9.329 628 2HB GLN 78 2HB GLN 78 -4.639 -1.911 -8.625 629 1HG GLN 78 1HG GLN 78 -4.159 -1.763 -10.915 630 2HG GLN 78 2HG GLN 78 -4.691 -3.435 -10.685 631 1HE2 GLN 78 2HE2 GLN 78 -4.684 -2.515 -13.231 632 2HE2 GLN 78 1HE2 GLN 78 -6.306 -2.139 -13.784 633 H ARG 79 H ARG 79 -7.618 -5.144 -7.963 634 HA ARG 79 HA ARG 79 -5.232 -6.508 -6.810 635 1HB ARG 79 1HB ARG 79 -6.728 -7.466 -5.169 636 2HB ARG 79 2HB ARG 79 -6.928 -5.713 -5.185 637 1HG ARG 79 1HG ARG 79 -9.113 -6.356 -5.060 638 2HG ARG 79 2HG ARG 79 -8.948 -6.185 -6.806 639 1HD ARG 79 1HD ARG 79 -8.581 -8.755 -6.865 640 2HD ARG 79 2HD ARG 79 -8.928 -8.741 -5.151 641 HE ARG 79 HE ARG 79 -11.148 -8.342 -5.551 642 1HH1 ARG 79 1HH2 ARG 79 -9.350 -7.840 -8.591 643 2HH1 ARG 79 2HH2 ARG 79 -10.792 -7.812 -9.571 644 1HH2 ARG 79 1HH1 ARG 79 -13.013 -8.321 -6.860 645 2HH2 ARG 79 2HH1 ARG 79 -12.886 -8.074 -8.584 646 H HIS 80 H HIS 80 -5.210 -8.791 -6.888 647 HA HIS 80 HA HIS 80 -6.786 -10.034 -9.077 648 1HB HIS 80 1HB HIS 80 -4.465 -9.290 -9.743 649 2HB HIS 80 2HB HIS 80 -3.817 -10.474 -8.608 650 HD1 HIS 80 HD1 HIS 80 -5.825 -12.907 -9.385 651 HD2 HIS 80 HD2 HIS 80 -3.779 -10.335 -12.017 652 HE1 HIS 80 HE1 HIS 80 -5.668 -14.120 -11.618 653 HA PRO 81 HA PRO 81 -7.095 -12.848 -5.473 654 1HB PRO 81 1HB PRO 81 -9.106 -14.460 -6.327 655 2HB PRO 81 2HB PRO 81 -9.395 -12.755 -5.869 656 1HG PRO 81 1HG PRO 81 -8.948 -13.862 -8.659 657 2HG PRO 81 2HG PRO 81 -10.289 -12.816 -8.109 658 1HD PRO 81 1HD PRO 81 -8.060 -11.840 -9.330 659 2HD PRO 81 2HD PRO 81 -8.872 -10.922 -8.025 660 H TYR 82 H TYR 82 -6.964 -15.281 -5.248 661 HA TYR 82 HA TYR 82 -6.034 -17.273 -5.564 662 1HB TYR 82 1HB TYR 82 -5.534 -16.774 -8.509 663 2HB TYR 82 2HB TYR 82 -5.762 -18.290 -7.665 664 HD1 TYR 82 HD1 TYR 82 -8.185 -18.321 -6.297 665 HD2 TYR 82 HD2 TYR 82 -7.283 -16.135 -9.906 666 HE1 TYR 82 HE1 TYR 82 -10.597 -18.222 -6.844 667 HE2 TYR 82 HE2 TYR 82 -9.692 -16.054 -10.457 668 HH TYR 82 HH TYR 82 -12.189 -17.527 -8.357 669 H LYS 83 H LYS 83 -4.218 -15.202 -7.855 670 HA LYS 83 HA LYS 83 -1.659 -15.944 -6.577 671 1HB LYS 83 1HB LYS 83 -0.730 -14.613 -8.543 672 2HB LYS 83 2HB LYS 83 -1.413 -16.212 -8.837 673 1HG LYS 83 1HG LYS 83 -3.392 -15.372 -9.805 674 2HG LYS 83 2HG LYS 83 -3.096 -13.716 -9.265 675 1HD LYS 83 1HD LYS 83 -1.242 -15.158 -11.201 676 2HD LYS 83 2HD LYS 83 -2.664 -14.247 -11.719 677 1HE LYS 83 1HE LYS 83 -1.759 -12.220 -10.502 678 2HE LYS 83 2HE LYS 83 -0.259 -13.122 -10.219 679 1HZ LYS 83 1HZ LYS 83 -1.429 -12.495 -12.834 680 2HZ LYS 83 2HZ LYS 83 -0.131 -11.750 -12.144 681 3HZ LYS 83 3HZ LYS 83 -0.031 -13.336 -12.588 682 HA PRO 84 HA PRO 84 -2.309 -12.004 -4.473 683 1HB PRO 84 1HB PRO 84 -0.134 -11.986 -2.809 684 2HB PRO 84 2HB PRO 84 -1.520 -13.093 -2.588 685 1HG PRO 84 1HG PRO 84 1.116 -13.701 -3.942 686 2HG PRO 84 2HG PRO 84 0.276 -14.654 -2.687 687 1HD PRO 84 1HD PRO 84 0.058 -15.217 -5.348 688 2HD PRO 84 2HD PRO 84 -1.330 -15.437 -4.235 689 H LYS 85 H LYS 85 -2.069 -10.355 -5.976 690 HA LYS 85 HA LYS 85 0.607 -9.248 -6.391 691 1HB LYS 85 1HB LYS 85 0.082 -11.187 -8.126 692 2HB LYS 85 2HB LYS 85 -0.961 -9.996 -8.879 693 1HG LYS 85 1HG LYS 85 1.081 -9.728 -9.995 694 2HG LYS 85 2HG LYS 85 1.155 -8.440 -8.779 695 1HD LYS 85 1HD LYS 85 2.531 -9.983 -7.312 696 2HD LYS 85 2HD LYS 85 2.408 -11.221 -8.566 697 1HE LYS 85 1HE LYS 85 4.555 -10.164 -8.758 698 2HE LYS 85 2HE LYS 85 3.590 -9.679 -10.162 699 1HZ LYS 85 1HZ LYS 85 4.034 -8.076 -7.736 700 2HZ LYS 85 2HZ LYS 85 4.779 -7.863 -9.191 701 3HZ LYS 85 3HZ LYS 85 3.159 -7.603 -9.051 702 H LEU 86 H LEU 86 -0.591 -7.685 -5.044 703 HA LEU 86 HA LEU 86 -2.690 -6.075 -6.263 704 1HB LEU 86 1HB LEU 86 -0.975 -5.937 -3.779 705 2HB LEU 86 2HB LEU 86 -1.788 -4.472 -4.312 706 HG LEU 86 HG LEU 86 -3.352 -7.044 -3.969 707 1HD1 LEU 86 1HD1 LEU 86 -2.131 -6.480 -1.831 708 2HD1 LEU 86 2HD1 LEU 86 -2.894 -4.882 -1.871 709 3HD1 LEU 86 3HD1 LEU 86 -3.896 -6.338 -1.701 710 1HD2 LEU 86 1HD2 LEU 86 -4.061 -4.072 -3.877 711 2HD2 LEU 86 2HD2 LEU 86 -4.448 -5.167 -5.198 712 3HD2 LEU 86 3HD2 LEU 86 -5.203 -5.404 -3.610 713 H GLN 87 H GLN 87 -2.522 -4.053 -7.135 714 HA GLN 87 HA GLN 87 0.195 -3.103 -7.971 715 1HB GLN 87 1HB GLN 87 -2.464 -2.592 -9.354 716 2HB GLN 87 2HB GLN 87 -0.845 -2.191 -9.934 717 1HG GLN 87 1HG GLN 87 -2.075 -4.965 -9.613 718 2HG GLN 87 2HG GLN 87 -1.715 -4.120 -11.118 719 1HE2 GLN 87 2HE2 GLN 87 -0.609 -6.579 -9.203 720 2HE2 GLN 87 1HE2 GLN 87 1.093 -6.508 -9.623 721 H HIS 88 H HIS 88 -3.146 -2.080 -7.142 722 HA HIS 88 HA HIS 88 -2.302 0.323 -5.730 723 1HB HIS 88 1HB HIS 88 -2.002 0.819 -8.219 724 2HB HIS 88 2HB HIS 88 -3.730 0.536 -8.422 725 HD1 HIS 88 HD1 HIS 88 -5.331 2.570 -7.620 726 HD2 HIS 88 HD2 HIS 88 -1.185 3.065 -7.056 727 HE1 HIS 88 HE1 HIS 88 -4.957 5.006 -7.015 728 H ILE 89 H ILE 89 -4.255 1.484 -4.923 729 HA ILE 89 HA ILE 89 -6.853 0.280 -5.579 730 HB ILE 89 HB ILE 89 -6.032 0.832 -2.695 731 1HG1 ILE 89 1HG1 ILE 89 -7.163 -1.538 -2.479 732 2HG1 ILE 89 2HG1 ILE 89 -6.757 -1.729 -4.183 733 1HG2 ILE 89 1HG2 ILE 89 -8.735 0.411 -4.022 734 2HG2 ILE 89 2HG2 ILE 89 -8.480 0.188 -2.282 735 3HG2 ILE 89 3HG2 ILE 89 -8.208 1.760 -3.010 736 1HD1 ILE 89 1HD1 ILE 89 -4.764 -0.989 -1.984 737 2HD1 ILE 89 2HD1 ILE 89 -5.137 -2.651 -2.454 738 3HD1 ILE 89 3HD1 ILE 89 -4.383 -1.560 -3.625 739 H ASP 90 H ASP 90 -8.257 1.787 -6.109 740 HA ASP 90 HA ASP 90 -7.733 4.658 -5.461 741 1HB ASP 90 1HB ASP 90 -9.451 3.356 -7.598 742 2HB ASP 90 2HB ASP 90 -9.309 5.093 -7.305 743 H PHE 91 H PHE 91 -8.477 4.331 -3.270 744 HA PHE 91 HA PHE 91 -11.017 3.152 -2.625 745 1HB PHE 91 1HB PHE 91 -9.313 5.141 -1.081 746 2HB PHE 91 2HB PHE 91 -10.687 4.275 -0.433 747 HD1 PHE 91 HD1 PHE 91 -7.116 4.155 -1.055 748 HD2 PHE 91 HD2 PHE 91 -10.606 1.789 -0.179 749 HE1 PHE 91 HE1 PHE 91 -5.677 2.373 -0.113 750 HE2 PHE 91 HE2 PHE 91 -9.145 -0.021 0.713 751 HZ PHE 91 HZ PHE 91 -6.703 0.274 0.755 752 H VAL 92 H VAL 92 -12.901 4.318 -1.773 753 HA VAL 92 HA VAL 92 -13.173 7.156 -2.600 754 HB VAL 92 HB VAL 92 -15.429 6.788 -3.376 755 1HG1 VAL 92 1HG1 VAL 92 -13.562 6.768 -5.004 756 2HG1 VAL 92 2HG1 VAL 92 -13.471 4.997 -4.878 757 3HG1 VAL 92 3HG1 VAL 92 -14.927 5.770 -5.530 758 1HG2 VAL 92 1HG2 VAL 92 -14.895 3.800 -3.121 759 2HG2 VAL 92 2HG2 VAL 92 -16.072 4.739 -2.170 760 3HG2 VAL 92 3HG2 VAL 92 -16.294 4.555 -3.908 761 H ARG 93 H ARG 93 -14.102 8.406 -1.060 762 HA ARG 93 HA ARG 93 -14.367 7.649 1.604 763 1HB ARG 93 1HB ARG 93 -15.576 9.865 -0.067 764 2HB ARG 93 2HB ARG 93 -16.001 9.727 1.634 765 1HG ARG 93 1HG ARG 93 -13.093 9.883 0.743 766 2HG ARG 93 2HG ARG 93 -14.101 11.314 1.041 767 1HD ARG 93 1HD ARG 93 -14.609 10.482 3.321 768 2HD ARG 93 2HD ARG 93 -13.428 9.172 3.090 769 HE ARG 93 HE ARG 93 -11.941 11.338 2.461 770 1HH1 ARG 93 1HH2 ARG 93 -14.010 10.691 5.283 771 2HH1 ARG 93 2HH2 ARG 93 -13.108 11.747 6.336 772 1HH2 ARG 93 1HH1 ARG 93 -10.767 12.702 3.865 773 2HH2 ARG 93 2HH1 ARG 93 -11.250 12.881 5.531 774 H ALA 94 H ALA 94 -15.921 6.776 2.882 775 HA ALA 94 HA ALA 94 -18.482 5.851 1.682 776 1HB ALA 94 1HB ALA 94 -17.171 5.305 4.374 777 2HB ALA 94 2HB ALA 94 -18.730 4.651 3.829 778 3HB ALA 94 3HB ALA 94 -17.243 4.206 2.980 Start of MODEL 3 1 H MET 1 H MET 1 -15.115 -5.142 10.636 2 HA MET 1 HA MET 1 -15.135 -4.532 8.428 3 1HB MET 1 1HB MET 1 -15.436 -1.778 9.693 4 2HB MET 1 2HB MET 1 -15.898 -2.220 8.037 5 1HG MET 1 1HG MET 1 -17.477 -3.919 8.965 6 2HG MET 1 2HG MET 1 -17.116 -3.334 10.594 7 1HE MET 1 1HE MET 1 -17.673 -0.828 11.423 8 2HE MET 1 2HE MET 1 -16.968 -0.065 9.974 9 3HE MET 1 3HE MET 1 -18.629 0.323 10.461 10 H PHE 2 H PHE 2 -12.660 -5.112 9.059 11 HA PHE 2 HA PHE 2 -10.526 -4.965 8.452 12 1HB PHE 2 1HB PHE 2 -11.276 -2.800 6.473 13 2HB PHE 2 2HB PHE 2 -9.933 -3.932 6.385 14 HD1 PHE 2 HD1 PHE 2 -10.561 -6.507 6.292 15 HD2 PHE 2 HD2 PHE 2 -13.313 -3.315 5.403 16 HE1 PHE 2 HE1 PHE 2 -12.067 -8.112 5.144 17 HE2 PHE 2 HE2 PHE 2 -14.767 -4.900 4.180 18 HZ PHE 2 HZ PHE 2 -14.175 -7.317 4.101 19 H THR 3 H THR 3 -8.545 -3.504 8.231 20 HA THR 3 HA THR 3 -8.683 -0.872 9.495 21 HB THR 3 HB THR 3 -7.288 -3.201 10.899 22 HG1 THR 3 HG1 THR 3 -9.644 -2.720 11.231 23 1HG2 THR 3 1HG2 THR 3 -7.341 -0.224 11.577 24 2HG2 THR 3 2HG2 THR 3 -6.635 -1.502 12.583 25 3HG2 THR 3 3HG2 THR 3 -5.912 -1.116 11.017 26 H ILE 4 H ILE 4 -7.844 -0.218 7.479 27 HA ILE 4 HA ILE 4 -5.356 -1.440 6.489 28 HB ILE 4 HB ILE 4 -6.962 0.902 5.418 29 1HG1 ILE 4 1HG1 ILE 4 -7.263 -0.865 3.522 30 2HG1 ILE 4 2HG1 ILE 4 -6.879 -2.066 4.752 31 1HG2 ILE 4 1HG2 ILE 4 -4.547 1.031 4.832 32 2HG2 ILE 4 2HG2 ILE 4 -4.616 -0.637 4.236 33 3HG2 ILE 4 3HG2 ILE 4 -5.543 0.645 3.431 34 1HD1 ILE 4 1HD1 ILE 4 -9.150 -0.019 4.907 35 2HD1 ILE 4 2HD1 ILE 4 -9.318 -1.690 4.341 36 3HD1 ILE 4 3HD1 ILE 4 -8.898 -1.382 6.024 37 H ASN 5 H ASN 5 -3.727 -1.078 7.859 38 HA ASN 5 HA ASN 5 -3.349 1.374 9.355 39 1HB ASN 5 1HB ASN 5 -1.563 -1.057 8.919 40 2HB ASN 5 2HB ASN 5 -1.257 0.241 10.082 41 1HD2 ASN 5 2HD2 ASN 5 -3.069 0.671 11.710 42 2HD2 ASN 5 1HD2 ASN 5 -3.899 -0.736 12.341 43 H ALA 6 H ALA 6 -3.444 2.782 7.432 44 HA ALA 6 HA ALA 6 -1.153 2.754 5.593 45 1HB ALA 6 1HB ALA 6 -3.447 3.230 4.799 46 2HB ALA 6 2HB ALA 6 -3.508 4.657 5.859 47 3HB ALA 6 3HB ALA 6 -2.351 4.596 4.515 48 H GLU 7 H GLU 7 -0.126 4.896 5.117 49 HA GLU 7 HA GLU 7 0.001 6.832 7.320 50 1HB GLU 7 1HB GLU 7 1.892 5.192 7.659 51 2HB GLU 7 2HB GLU 7 2.523 5.640 6.064 52 1HG GLU 7 1HG GLU 7 2.811 7.981 6.839 53 2HG GLU 7 2HG GLU 7 2.102 7.556 8.409 54 H VAL 8 H VAL 8 0.684 8.909 6.523 55 HA VAL 8 HA VAL 8 -0.152 9.574 3.888 56 HB VAL 8 HB VAL 8 0.881 11.758 4.312 57 1HG1 VAL 8 1HG1 VAL 8 -1.369 11.224 5.206 58 2HG1 VAL 8 2HG1 VAL 8 -0.635 10.712 6.742 59 3HG1 VAL 8 3HG1 VAL 8 -0.505 12.399 6.211 60 1HG2 VAL 8 1HG2 VAL 8 2.918 11.106 5.541 61 2HG2 VAL 8 2HG2 VAL 8 1.962 12.269 6.465 62 3HG2 VAL 8 3HG2 VAL 8 1.935 10.556 6.916 63 H ARG 9 H ARG 9 1.014 10.004 2.001 64 HA ARG 9 HA ARG 9 3.164 8.207 1.566 65 1HB ARG 9 1HB ARG 9 1.510 8.747 -0.153 66 2HB ARG 9 2HB ARG 9 2.012 10.441 -0.151 67 1HG ARG 9 1HG ARG 9 2.929 9.348 -2.074 68 2HG ARG 9 2HG ARG 9 4.263 9.765 -0.999 69 1HD ARG 9 1HD ARG 9 4.280 7.402 -0.143 70 2HD ARG 9 2HD ARG 9 2.997 6.991 -1.292 71 HE ARG 9 HE ARG 9 5.849 7.352 -1.741 72 1HH1 ARG 9 1HH2 ARG 9 2.718 7.579 -3.404 73 2HH1 ARG 9 2HH2 ARG 9 3.422 7.440 -4.995 74 1HH2 ARG 9 1HH1 ARG 9 6.740 7.170 -3.749 75 2HH2 ARG 9 2HH1 ARG 9 5.761 7.201 -5.206 76 H LYS 10 H LYS 10 4.970 8.674 2.811 77 HA LYS 10 HA LYS 10 6.697 10.774 1.815 78 1HB LYS 10 1HB LYS 10 5.216 11.914 3.592 79 2HB LYS 10 2HB LYS 10 5.956 10.843 4.776 80 1HG LYS 10 1HG LYS 10 7.179 12.846 4.905 81 2HG LYS 10 2HG LYS 10 8.229 11.779 3.959 82 1HD LYS 10 1HD LYS 10 7.356 12.871 1.853 83 2HD LYS 10 2HD LYS 10 6.341 13.923 2.855 84 1HE LYS 10 1HE LYS 10 8.392 14.832 3.937 85 2HE LYS 10 2HE LYS 10 9.384 13.788 2.898 86 1HZ LYS 10 1HZ LYS 10 8.475 14.921 0.999 87 2HZ LYS 10 2HZ LYS 10 7.566 15.897 1.964 88 3HZ LYS 10 3HZ LYS 10 9.210 15.991 2.012 89 H GLU 11 H GLU 11 7.822 8.922 1.167 90 HA GLU 11 HA GLU 11 8.852 6.980 3.041 91 1HB GLU 11 1HB GLU 11 10.234 6.290 1.076 92 2HB GLU 11 2HB GLU 11 8.490 6.187 0.877 93 1HG GLU 11 1HG GLU 11 9.902 8.666 -0.142 94 2HG GLU 11 2HG GLU 11 10.048 7.149 -1.027 95 H GLN 12 H GLN 12 9.638 8.557 4.590 96 HA GLN 12 HA GLN 12 12.310 9.741 3.974 97 1HB GLN 12 1HB GLN 12 9.896 10.640 5.482 98 2HB GLN 12 2HB GLN 12 11.397 10.928 6.335 99 1HG GLN 12 1HG GLN 12 10.904 11.801 3.464 100 2HG GLN 12 2HG GLN 12 10.662 12.820 4.894 101 1HE2 GLN 12 2HE2 GLN 12 12.363 13.766 2.991 102 2HE2 GLN 12 1HE2 GLN 12 14.025 13.638 3.526 103 H GLY 13 H GLY 13 13.511 10.114 6.139 104 1HA GLY 13 1HA GLY 13 14.273 9.284 8.208 105 2HA GLY 13 2HA GLY 13 13.503 7.720 7.908 106 H LYS 14 H LYS 14 15.763 9.821 6.068 107 HA LYS 14 HA LYS 14 17.600 9.397 4.838 108 1HB LYS 14 1HB LYS 14 18.353 7.599 7.187 109 2HB LYS 14 2HB LYS 14 19.442 8.235 5.945 110 1HG LYS 14 1HG LYS 14 18.802 10.570 6.673 111 2HG LYS 14 2HG LYS 14 17.917 9.834 8.029 112 1HD LYS 14 1HD LYS 14 20.056 8.686 8.732 113 2HD LYS 14 2HD LYS 14 20.886 9.491 7.393 114 1HE LYS 14 1HE LYS 14 21.372 10.733 9.377 115 2HE LYS 14 2HE LYS 14 20.277 11.717 8.392 116 1HZ LYS 14 1HZ LYS 14 19.511 10.056 10.699 117 2HZ LYS 14 2HZ LYS 14 19.670 11.695 10.704 118 3HZ LYS 14 3HZ LYS 14 18.482 10.987 9.809 119 H GLY 15 H GLY 15 15.712 8.165 3.583 120 1HA GLY 15 1HA GLY 15 16.892 5.632 2.636 121 2HA GLY 15 2HA GLY 15 15.270 5.550 3.351 122 H ALA 16 H ALA 16 16.648 5.488 0.491 123 HA ALA 16 HA ALA 16 15.008 7.405 -1.008 124 1HB ALA 16 1HB ALA 16 17.280 6.807 -1.764 125 2HB ALA 16 2HB ALA 16 16.793 5.104 -1.909 126 3HB ALA 16 3HB ALA 16 16.062 6.335 -2.963 127 H SER 17 H SER 17 13.666 6.465 -2.844 128 HA SER 17 HA SER 17 11.506 4.997 -1.809 129 1HB SER 17 1HB SER 17 11.356 6.576 -3.694 130 2HB SER 17 2HB SER 17 12.291 5.465 -4.719 131 HG SER 17 HG SER 17 9.798 4.908 -3.476 132 H ARG 18 H ARG 18 14.121 3.928 -4.031 133 HA ARG 18 HA ARG 18 14.734 1.918 -4.837 134 1HB ARG 18 1HB ARG 18 14.058 0.997 -2.004 135 2HB ARG 18 2HB ARG 18 14.987 0.083 -3.210 136 1HG ARG 18 1HG ARG 18 16.665 1.899 -3.302 137 2HG ARG 18 2HG ARG 18 15.814 2.732 -1.978 138 1HD ARG 18 1HD ARG 18 16.172 0.840 -0.483 139 2HD ARG 18 2HD ARG 18 16.788 -0.148 -1.825 140 HE ARG 18 HE ARG 18 18.327 2.273 -1.416 141 1HH1 ARG 18 1HH2 ARG 18 17.907 -1.069 -0.277 142 2HH1 ARG 18 2HH2 ARG 18 19.578 -1.253 0.185 143 1HH2 ARG 18 1HH1 ARG 18 20.522 2.011 -0.793 144 2HH2 ARG 18 2HH1 ARG 18 21.062 0.507 -0.095 145 H ARG 19 H ARG 19 13.087 -0.503 -3.297 146 HA ARG 19 HA ARG 19 11.176 -0.870 -5.481 147 1HB ARG 19 1HB ARG 19 11.836 -2.481 -2.983 148 2HB ARG 19 2HB ARG 19 10.607 -2.927 -4.179 149 1HG ARG 19 1HG ARG 19 12.334 -2.942 -5.963 150 2HG ARG 19 2HG ARG 19 13.581 -2.559 -4.757 151 1HD ARG 19 1HD ARG 19 13.076 -4.646 -3.548 152 2HD ARG 19 2HD ARG 19 11.785 -5.021 -4.713 153 HE ARG 19 HE ARG 19 14.185 -4.597 -6.154 154 1HH1 ARG 19 1HH2 ARG 19 12.810 -6.955 -3.885 155 2HH1 ARG 19 2HH2 ARG 19 13.722 -8.296 -4.528 156 1HH2 ARG 19 1HH1 ARG 19 15.375 -6.366 -6.991 157 2HH2 ARG 19 2HH1 ARG 19 15.189 -7.958 -6.302 158 H LEU 20 H LEU 20 9.226 0.021 -5.424 159 HA LEU 20 HA LEU 20 7.650 0.196 -2.968 160 1HB LEU 20 1HB LEU 20 9.054 2.308 -3.006 161 2HB LEU 20 2HB LEU 20 8.334 2.715 -4.551 162 HG LEU 20 HG LEU 20 6.058 2.259 -3.076 163 1HD1 LEU 20 1HD1 LEU 20 7.423 1.814 -1.015 164 2HD1 LEU 20 2HD1 LEU 20 8.085 3.457 -1.129 165 3HD1 LEU 20 3HD1 LEU 20 6.351 3.218 -0.842 166 1HD2 LEU 20 1HD2 LEU 20 7.648 4.846 -3.206 167 2HD2 LEU 20 2HD2 LEU 20 6.488 4.254 -4.417 168 3HD2 LEU 20 3HD2 LEU 20 5.923 4.703 -2.796 169 H ARG 21 H ARG 21 7.785 1.670 -6.136 170 HA ARG 21 HA ARG 21 5.708 2.087 -7.387 171 1HB ARG 21 1HB ARG 21 7.646 -0.038 -8.370 172 2HB ARG 21 2HB ARG 21 6.366 0.644 -9.374 173 1HG ARG 21 1HG ARG 21 8.377 1.746 -9.901 174 2HG ARG 21 2HG ARG 21 7.308 2.911 -9.116 175 1HD ARG 21 1HD ARG 21 8.686 2.970 -7.144 176 2HD ARG 21 2HD ARG 21 9.470 1.433 -7.567 177 HE ARG 21 HE ARG 21 10.982 2.529 -8.836 178 1HH1 ARG 21 1HH2 ARG 21 8.289 4.773 -8.249 179 2HH1 ARG 21 2HH2 ARG 21 9.131 6.147 -8.917 180 1HH2 ARG 21 1HH1 ARG 21 12.062 4.334 -9.713 181 2HH2 ARG 21 2HH1 ARG 21 11.282 5.894 -9.758 182 H ALA 22 H ALA 22 6.238 -1.470 -7.452 183 HA ALA 22 HA ALA 22 3.493 -1.963 -6.536 184 1HB ALA 22 1HB ALA 22 3.182 -1.696 -8.968 185 2HB ALA 22 2HB ALA 22 4.445 -2.910 -9.274 186 3HB ALA 22 3HB ALA 22 2.927 -3.377 -8.468 187 H ALA 23 H ALA 23 5.608 -2.358 -5.018 188 HA ALA 23 HA ALA 23 5.881 -5.288 -4.885 189 1HB ALA 23 1HB ALA 23 8.280 -3.448 -5.298 190 2HB ALA 23 2HB ALA 23 8.370 -5.161 -4.809 191 3HB ALA 23 3HB ALA 23 7.706 -4.719 -6.389 192 H ASN 24 H ASN 24 8.299 -3.431 -3.253 193 HA ASN 24 HA ASN 24 7.245 -4.292 -0.711 194 1HB ASN 24 1HB ASN 24 9.625 -4.350 -1.189 195 2HB ASN 24 2HB ASN 24 9.649 -2.610 -1.491 196 1HD2 ASN 24 2HD2 ASN 24 11.240 -2.277 0.158 197 2HD2 ASN 24 1HD2 ASN 24 10.827 -2.383 1.857 198 H LYS 25 H LYS 25 5.304 -3.239 -0.398 199 HA LYS 25 HA LYS 25 3.951 -1.750 0.533 200 1HB LYS 25 1HB LYS 25 6.361 0.071 0.945 201 2HB LYS 25 2HB LYS 25 4.755 0.276 1.633 202 1HG LYS 25 1HG LYS 25 4.977 -1.601 3.060 203 2HG LYS 25 2HG LYS 25 6.357 -2.252 2.166 204 1HD LYS 25 1HD LYS 25 7.066 -1.227 4.282 205 2HD LYS 25 2HD LYS 25 7.789 -0.431 2.874 206 1HE LYS 25 1HE LYS 25 6.122 1.407 3.038 207 2HE LYS 25 2HE LYS 25 5.353 0.596 4.417 208 1HZ LYS 25 1HZ LYS 25 8.104 1.619 4.309 209 2HZ LYS 25 2HZ LYS 25 6.819 2.356 5.033 210 3HZ LYS 25 3HZ LYS 25 7.389 0.919 5.622 211 H PHE 26 H PHE 26 3.044 -1.674 -1.642 212 HA PHE 26 HA PHE 26 3.843 0.417 -3.456 213 1HB PHE 26 1HB PHE 26 2.156 -0.439 -4.916 214 2HB PHE 26 2HB PHE 26 2.973 -1.798 -4.162 215 HD1 PHE 26 HD1 PHE 26 1.793 -3.148 -2.387 216 HD2 PHE 26 HD2 PHE 26 -0.187 -0.027 -4.591 217 HE1 PHE 26 HE1 PHE 26 -0.370 -3.826 -1.412 218 HE2 PHE 26 HE2 PHE 26 -2.318 -0.571 -3.455 219 HZ PHE 26 HZ PHE 26 -2.422 -2.489 -1.860 220 HA PRO 27 HA PRO 27 1.220 3.601 -1.857 221 1HB PRO 27 1HB PRO 27 1.049 5.356 -3.921 222 2HB PRO 27 2HB PRO 27 2.608 4.963 -3.134 223 1HG PRO 27 1HG PRO 27 1.464 3.732 -5.661 224 2HG PRO 27 2HG PRO 27 3.086 4.456 -5.443 225 1HD PRO 27 1HD PRO 27 2.655 1.778 -5.214 226 2HD PRO 27 2HD PRO 27 3.829 2.624 -4.164 227 H ALA 28 H ALA 28 -0.889 4.578 -1.962 228 HA ALA 28 HA ALA 28 -2.860 3.473 -3.884 229 1HB ALA 28 1HB ALA 28 -3.089 3.306 -0.856 230 2HB ALA 28 2HB ALA 28 -4.376 2.903 -1.998 231 3HB ALA 28 3HB ALA 28 -2.883 1.938 -1.968 232 H ILE 29 H ILE 29 -4.969 4.668 -3.643 233 HA ILE 29 HA ILE 29 -4.537 7.518 -2.855 234 HB ILE 29 HB ILE 29 -5.606 6.408 -5.470 235 1HG1 ILE 29 1HG1 ILE 29 -3.218 8.213 -4.807 236 2HG1 ILE 29 2HG1 ILE 29 -3.121 6.512 -5.269 237 1HG2 ILE 29 1HG2 ILE 29 -5.548 9.297 -4.539 238 2HG2 ILE 29 2HG2 ILE 29 -5.979 8.736 -6.167 239 3HG2 ILE 29 3HG2 ILE 29 -7.005 8.318 -4.814 240 1HD1 ILE 29 1HD1 ILE 29 -4.202 7.119 -7.479 241 2HD1 ILE 29 2HD1 ILE 29 -3.946 8.827 -7.036 242 3HD1 ILE 29 3HD1 ILE 29 -2.564 7.740 -7.193 243 H ILE 30 H ILE 30 -6.343 8.657 -2.224 244 HA ILE 30 HA ILE 30 -8.856 7.099 -1.744 245 HB ILE 30 HB ILE 30 -7.614 9.275 -0.033 246 1HG1 ILE 30 1HG1 ILE 30 -8.086 6.353 0.673 247 2HG1 ILE 30 2HG1 ILE 30 -6.523 7.002 0.163 248 1HG2 ILE 30 1HG2 ILE 30 -10.201 7.687 0.305 249 2HG2 ILE 30 2HG2 ILE 30 -9.552 8.846 1.480 250 3HG2 ILE 30 3HG2 ILE 30 -10.088 9.415 -0.084 251 1HD1 ILE 30 1HD1 ILE 30 -6.547 8.602 2.061 252 2HD1 ILE 30 2HD1 ILE 30 -8.040 7.843 2.663 253 3HD1 ILE 30 3HD1 ILE 30 -6.557 6.905 2.566 254 H TYR 31 H TYR 31 -10.120 7.709 -3.408 255 HA TYR 31 HA TYR 31 -10.476 10.550 -4.139 256 1HB TYR 31 1HB TYR 31 -11.856 7.980 -5.021 257 2HB TYR 31 2HB TYR 31 -12.300 9.580 -5.577 258 HD1 TYR 31 HD1 TYR 31 -9.481 7.112 -5.574 259 HD2 TYR 31 HD2 TYR 31 -11.182 10.654 -7.361 260 HE1 TYR 31 HE1 TYR 31 -7.758 7.054 -7.345 261 HE2 TYR 31 HE2 TYR 31 -9.484 10.558 -9.160 262 HH TYR 31 HH TYR 31 -6.967 8.010 -9.277 263 H GLY 32 H GLY 32 -12.914 11.214 -4.184 264 1HA GLY 32 1HA GLY 32 -14.875 10.175 -2.512 265 2HA GLY 32 2HA GLY 32 -13.913 11.281 -1.504 266 H GLY 33 H GLY 33 -16.486 11.979 -1.840 267 1HA GLY 33 1HA GLY 33 -16.791 13.923 -4.029 268 2HA GLY 33 2HA GLY 33 -17.919 13.575 -2.713 269 H LYS 34 H LYS 34 -14.456 14.465 -2.573 270 HA LYS 34 HA LYS 34 -14.595 17.154 -1.955 271 1HB LYS 34 1HB LYS 34 -15.442 15.526 0.329 272 2HB LYS 34 2HB LYS 34 -13.860 16.215 0.667 273 1HG LYS 34 1HG LYS 34 -14.721 18.487 0.050 274 2HG LYS 34 2HG LYS 34 -16.316 17.773 -0.226 275 1HD LYS 34 1HD LYS 34 -16.357 18.757 1.932 276 2HD LYS 34 2HD LYS 34 -16.335 17.003 2.172 277 1HE LYS 34 1HE LYS 34 -13.922 17.094 2.725 278 2HE LYS 34 2HE LYS 34 -13.875 18.820 2.319 279 1HZ LYS 34 1HZ LYS 34 -15.379 19.216 4.126 280 2HZ LYS 34 2HZ LYS 34 -15.421 17.610 4.500 281 3HZ LYS 34 3HZ LYS 34 -14.015 18.459 4.656 282 H GLU 35 H GLU 35 -12.514 17.944 -1.739 283 HA GLU 35 HA GLU 35 -10.319 18.085 -1.608 284 1HB GLU 35 1HB GLU 35 -10.713 16.465 0.390 285 2HB GLU 35 2HB GLU 35 -10.087 15.199 -0.688 286 1HG GLU 35 1HG GLU 35 -8.347 15.999 0.786 287 2HG GLU 35 2HG GLU 35 -7.941 16.422 -0.872 288 H ALA 36 H ALA 36 -8.327 17.521 -2.709 289 HA ALA 36 HA ALA 36 -8.600 16.269 -5.291 290 1HB ALA 36 1HB ALA 36 -6.147 17.012 -3.636 291 2HB ALA 36 2HB ALA 36 -6.118 16.541 -5.346 292 3HB ALA 36 3HB ALA 36 -6.945 18.031 -4.855 293 HA PRO 37 HA PRO 37 -8.056 12.083 -3.902 294 1HB PRO 37 1HB PRO 37 -7.060 10.798 -6.084 295 2HB PRO 37 2HB PRO 37 -8.687 11.522 -6.029 296 1HG PRO 37 1HG PRO 37 -6.172 12.777 -7.161 297 2HG PRO 37 2HG PRO 37 -7.758 12.591 -7.967 298 1HD PRO 37 1HD PRO 37 -7.078 14.898 -6.705 299 2HD PRO 37 2HD PRO 37 -8.743 14.260 -6.601 300 H LEU 38 H LEU 38 -6.536 12.795 -2.282 301 HA LEU 38 HA LEU 38 -3.750 12.945 -2.709 302 1HB LEU 38 1HB LEU 38 -3.511 13.213 -0.382 303 2HB LEU 38 2HB LEU 38 -4.960 14.057 -0.897 304 HG LEU 38 HG LEU 38 -5.383 13.141 1.201 305 1HD1 LEU 38 1HD1 LEU 38 -7.295 12.936 -0.315 306 2HD1 LEU 38 2HD1 LEU 38 -6.779 11.289 -0.754 307 3HD1 LEU 38 3HD1 LEU 38 -7.280 11.644 0.901 308 1HD2 LEU 38 1HD2 LEU 38 -3.578 11.389 1.189 309 2HD2 LEU 38 2HD2 LEU 38 -5.100 10.951 1.980 310 3HD2 LEU 38 3HD2 LEU 38 -4.732 10.297 0.387 311 H ALA 39 H ALA 39 -2.066 11.638 -1.730 312 HA ALA 39 HA ALA 39 -2.554 8.755 -2.254 313 1HB ALA 39 1HB ALA 39 -1.038 9.899 -3.800 314 2HB ALA 39 2HB ALA 39 -0.011 10.403 -2.439 315 3HB ALA 39 3HB ALA 39 -0.182 8.679 -2.838 316 H ILE 40 H ILE 40 -1.583 7.197 -1.001 317 HA ILE 40 HA ILE 40 -0.276 7.860 1.568 318 HB ILE 40 HB ILE 40 -1.715 6.085 2.639 319 1HG1 ILE 40 1HG1 ILE 40 -3.643 6.527 0.315 320 2HG1 ILE 40 2HG1 ILE 40 -2.522 5.159 0.384 321 1HG2 ILE 40 1HG2 ILE 40 -2.076 8.533 2.988 322 2HG2 ILE 40 2HG2 ILE 40 -3.294 8.511 1.698 323 3HG2 ILE 40 3HG2 ILE 40 -3.543 7.578 3.185 324 1HD1 ILE 40 1HD1 ILE 40 -4.646 5.743 2.473 325 2HD1 ILE 40 2HD1 ILE 40 -4.727 4.514 1.199 326 3HD1 ILE 40 3HD1 ILE 40 -3.507 4.389 2.479 327 H GLU 41 H GLU 41 0.597 5.711 2.513 328 HA GLU 41 HA GLU 41 1.384 3.835 0.323 329 1HB GLU 41 1HB GLU 41 3.352 3.263 1.572 330 2HB GLU 41 2HB GLU 41 3.323 4.974 1.137 331 1HG GLU 41 1HG GLU 41 2.668 5.562 3.453 332 2HG GLU 41 2HG GLU 41 2.676 3.845 3.897 333 H LEU 42 H LEU 42 0.964 1.743 0.523 334 HA LEU 42 HA LEU 42 -0.394 0.708 2.980 335 1HB LEU 42 1HB LEU 42 -1.085 0.579 0.073 336 2HB LEU 42 2HB LEU 42 -1.061 -0.985 0.876 337 HG LEU 42 HG LEU 42 -2.658 -0.264 2.551 338 1HD1 LEU 42 1HD1 LEU 42 -2.498 2.422 1.131 339 2HD1 LEU 42 2HD1 LEU 42 -3.854 1.960 2.183 340 3HD1 LEU 42 3HD1 LEU 42 -2.223 2.084 2.850 341 1HD2 LEU 42 1HD2 LEU 42 -3.438 -1.205 0.392 342 2HD2 LEU 42 2HD2 LEU 42 -4.610 -0.068 1.080 343 3HD2 LEU 42 3HD2 LEU 42 -3.574 0.433 -0.272 344 H ASP 43 H ASP 43 -0.026 -1.575 3.342 345 HA ASP 43 HA ASP 43 2.745 -2.393 2.958 346 1HB ASP 43 1HB ASP 43 2.093 -4.272 4.374 347 2HB ASP 43 2HB ASP 43 1.460 -2.779 5.062 348 H HIS 44 H HIS 44 2.760 -5.007 2.464 349 HA HIS 44 HA HIS 44 0.869 -5.752 0.355 350 1HB HIS 44 1HB HIS 44 2.814 -4.685 -0.830 351 2HB HIS 44 2HB HIS 44 3.852 -5.956 -0.189 352 HD1 HIS 44 HD1 HIS 44 2.152 -8.507 -0.751 353 HD2 HIS 44 HD2 HIS 44 2.523 -5.237 -3.371 354 HE1 HIS 44 HE1 HIS 44 1.592 -9.375 -3.080 355 H ASP 45 H ASP 45 0.480 -6.655 2.694 356 HA ASP 45 HA ASP 45 1.059 -9.503 2.492 357 1HB ASP 45 1HB ASP 45 3.093 -8.854 3.668 358 2HB ASP 45 2HB ASP 45 2.183 -7.850 4.804 359 H LYS 46 H LYS 46 0.133 -7.076 4.957 360 HA LYS 46 HA LYS 46 -1.979 -8.627 6.067 361 1HB LYS 46 1HB LYS 46 -0.558 -6.648 7.030 362 2HB LYS 46 2HB LYS 46 -1.768 -5.606 6.267 363 1HG LYS 46 1HG LYS 46 -3.543 -6.864 7.582 364 2HG LYS 46 2HG LYS 46 -2.236 -7.812 8.317 365 1HD LYS 46 1HD LYS 46 -1.219 -5.589 9.107 366 2HD LYS 46 2HD LYS 46 -2.690 -4.799 8.521 367 1HE LYS 46 1HE LYS 46 -2.922 -5.148 10.889 368 2HE LYS 46 2HE LYS 46 -4.035 -6.260 10.073 369 1HZ LYS 46 1HZ LYS 46 -1.372 -6.950 11.128 370 2HZ LYS 46 2HZ LYS 46 -2.808 -7.305 11.854 371 3HZ LYS 46 3HZ LYS 46 -2.419 -8.001 10.413 372 H VAL 47 H VAL 47 -1.831 -6.000 3.646 373 HA VAL 47 HA VAL 47 -4.550 -5.532 3.280 374 HB VAL 47 HB VAL 47 -2.736 -4.143 2.406 375 1HG1 VAL 47 1HG1 VAL 47 -1.274 -5.990 1.499 376 2HG1 VAL 47 2HG1 VAL 47 -2.423 -6.186 0.165 377 3HG1 VAL 47 3HG1 VAL 47 -1.561 -4.657 0.373 378 1HG2 VAL 47 1HG2 VAL 47 -5.028 -3.896 1.521 379 2HG2 VAL 47 2HG2 VAL 47 -3.806 -3.531 0.288 380 3HG2 VAL 47 3HG2 VAL 47 -4.672 -5.072 0.237 381 H MET 48 H MET 48 -2.548 -8.143 1.836 382 HA MET 48 HA MET 48 -4.535 -9.082 0.013 383 1HB MET 48 1HB MET 48 -2.240 -9.687 -0.288 384 2HB MET 48 2HB MET 48 -2.137 -10.403 1.321 385 1HG MET 48 1HG MET 48 -2.264 -12.078 -0.479 386 2HG MET 48 2HG MET 48 -3.526 -12.246 0.733 387 1HE MET 48 1HE MET 48 -2.684 -10.948 -2.875 388 2HE MET 48 2HE MET 48 -4.303 -10.658 -3.561 389 3HE MET 48 3HE MET 48 -3.681 -9.604 -2.277 390 H ASN 49 H ASN 49 -3.729 -9.963 3.398 391 HA ASN 49 HA ASN 49 -5.650 -12.052 3.657 392 1HB ASN 49 1HB ASN 49 -4.498 -10.225 5.805 393 2HB ASN 49 2HB ASN 49 -5.327 -11.763 6.074 394 1HD2 ASN 49 2HD2 ASN 49 -2.745 -11.300 7.069 395 2HD2 ASN 49 1HD2 ASN 49 -1.613 -12.318 6.204 396 H MET 50 H MET 50 -5.820 -8.542 4.389 397 HA MET 50 HA MET 50 -8.534 -8.593 5.333 398 1HB MET 50 1HB MET 50 -6.743 -6.350 4.338 399 2HB MET 50 2HB MET 50 -8.364 -6.101 5.010 400 1HG MET 50 1HG MET 50 -7.687 -7.259 7.095 401 2HG MET 50 2HG MET 50 -6.041 -7.410 6.480 402 1HE MET 50 1HE MET 50 -4.467 -5.314 5.972 403 2HE MET 50 2HE MET 50 -5.697 -4.374 5.094 404 3HE MET 50 3HE MET 50 -4.838 -3.660 6.474 405 H GLN 51 H GLN 51 -7.111 -8.288 2.084 406 HA GLN 51 HA GLN 51 -9.355 -7.213 0.763 407 1HB GLN 51 1HB GLN 51 -6.930 -8.742 -0.072 408 2HB GLN 51 2HB GLN 51 -8.245 -8.667 -1.229 409 1HG GLN 51 1HG GLN 51 -7.391 -6.082 0.074 410 2HG GLN 51 2HG GLN 51 -6.337 -6.819 -1.134 411 1HE2 GLN 51 2HE2 GLN 51 -9.945 -6.945 -1.171 412 2HE2 GLN 51 1HE2 GLN 51 -10.098 -6.029 -2.653 413 H ALA 52 H ALA 52 -8.392 -10.630 0.308 414 HA ALA 52 HA ALA 52 -9.566 -12.492 -0.041 415 1HB ALA 52 1HB ALA 52 -10.570 -12.040 2.193 416 2HB ALA 52 2HB ALA 52 -11.950 -11.260 1.389 417 3HB ALA 52 3HB ALA 52 -11.613 -12.968 1.103 418 H LYS 53 H LYS 53 -11.114 -9.506 -1.055 419 HA LYS 53 HA LYS 53 -12.079 -8.843 -2.907 420 1HB LYS 53 1HB LYS 53 -11.933 -11.656 -4.052 421 2HB LYS 53 2HB LYS 53 -12.400 -10.191 -4.890 422 1HG LYS 53 1HG LYS 53 -10.284 -9.780 -5.429 423 2HG LYS 53 2HG LYS 53 -9.925 -9.505 -3.738 424 1HD LYS 53 1HD LYS 53 -8.340 -11.075 -4.632 425 2HD LYS 53 2HD LYS 53 -9.341 -11.891 -3.436 426 1HE LYS 53 1HE LYS 53 -8.902 -13.292 -5.430 427 2HE LYS 53 2HE LYS 53 -10.627 -13.011 -5.211 428 1HZ LYS 53 1HZ LYS 53 -10.481 -11.286 -6.874 429 2HZ LYS 53 2HZ LYS 53 -8.873 -11.595 -7.093 430 3HZ LYS 53 3HZ LYS 53 -10.000 -12.737 -7.470 431 H ALA 54 H ALA 54 -14.197 -8.744 -3.809 432 HA ALA 54 HA ALA 54 -16.404 -8.580 -3.564 433 1HB ALA 54 1HB ALA 54 -16.533 -11.011 -3.876 434 2HB ALA 54 2HB ALA 54 -16.432 -11.259 -2.120 435 3HB ALA 54 3HB ALA 54 -17.800 -10.378 -2.811 436 H GLU 55 H GLU 55 -15.469 -10.134 -0.494 437 HA GLU 55 HA GLU 55 -17.108 -8.788 1.254 438 1HB GLU 55 1HB GLU 55 -14.293 -9.888 1.682 439 2HB GLU 55 2HB GLU 55 -15.412 -9.458 2.988 440 1HG GLU 55 1HG GLU 55 -17.007 -11.143 2.273 441 2HG GLU 55 2HG GLU 55 -16.042 -11.538 0.842 442 H PHE 56 H PHE 56 -13.855 -7.831 0.191 443 HA PHE 56 HA PHE 56 -13.273 -5.740 1.884 444 1HB PHE 56 1HB PHE 56 -11.917 -6.829 0.001 445 2HB PHE 56 2HB PHE 56 -12.694 -5.711 -1.097 446 HD1 PHE 56 HD1 PHE 56 -11.475 -3.697 -1.528 447 HD2 PHE 56 HD2 PHE 56 -10.842 -5.774 2.195 448 HE1 PHE 56 HE1 PHE 56 -9.467 -2.308 -1.092 449 HE2 PHE 56 HE2 PHE 56 -8.817 -4.408 2.611 450 HZ PHE 56 HZ PHE 56 -8.118 -2.679 0.963 451 H TYR 57 H TYR 57 -15.051 -5.527 -1.230 452 HA TYR 57 HA TYR 57 -16.164 -2.852 -0.500 453 1HB TYR 57 1HB TYR 57 -16.870 -2.944 -3.001 454 2HB TYR 57 2HB TYR 57 -15.232 -2.559 -2.565 455 HD1 TYR 57 HD1 TYR 57 -13.357 -4.033 -2.938 456 HD2 TYR 57 HD2 TYR 57 -17.333 -5.100 -4.209 457 HE1 TYR 57 HE1 TYR 57 -12.435 -5.961 -4.185 458 HE2 TYR 57 HE2 TYR 57 -16.401 -6.971 -5.537 459 HH TYR 57 HH TYR 57 -12.920 -7.825 -5.405 460 H SER 58 H SER 58 -17.236 -4.464 1.138 461 HA SER 58 HA SER 58 -20.007 -4.671 0.121 462 1HB SER 58 1HB SER 58 -18.652 -6.919 1.681 463 2HB SER 58 2HB SER 58 -20.382 -6.783 1.339 464 HG SER 58 HG SER 58 -18.326 -6.940 -0.607 465 H GLU 59 H GLU 59 -18.074 -5.282 3.100 466 HA GLU 59 HA GLU 59 -20.228 -4.094 4.696 467 1HB GLU 59 1HB GLU 59 -19.098 -5.119 6.573 468 2HB GLU 59 2HB GLU 59 -19.316 -6.282 5.263 469 1HG GLU 59 1HG GLU 59 -16.938 -5.985 4.592 470 2HG GLU 59 2HG GLU 59 -16.716 -4.808 5.898 471 H VAL 60 H VAL 60 -18.171 -2.375 3.081 472 HA VAL 60 HA VAL 60 -17.177 -0.404 3.286 473 HB VAL 60 HB VAL 60 -19.160 -0.291 5.298 474 1HG1 VAL 60 1HG1 VAL 60 -17.330 -0.379 7.041 475 2HG1 VAL 60 2HG1 VAL 60 -16.695 1.135 6.364 476 3HG1 VAL 60 3HG1 VAL 60 -18.321 1.083 7.054 477 1HG2 VAL 60 1HG2 VAL 60 -18.918 1.213 3.379 478 2HG2 VAL 60 2HG2 VAL 60 -19.122 2.083 4.908 479 3HG2 VAL 60 3HG2 VAL 60 -17.520 1.981 4.163 480 H LEU 61 H LEU 61 -15.283 0.746 4.333 481 HA LEU 61 HA LEU 61 -13.613 -1.062 5.976 482 1HB LEU 61 1HB LEU 61 -12.294 0.441 3.741 483 2HB LEU 61 2HB LEU 61 -11.752 -0.939 4.677 484 HG LEU 61 HG LEU 61 -13.789 -2.168 3.410 485 1HD1 LEU 61 1HD1 LEU 61 -14.496 -0.059 2.217 486 2HD1 LEU 61 2HD1 LEU 61 -12.906 -0.011 1.434 487 3HD1 LEU 61 3HD1 LEU 61 -14.019 -1.343 1.106 488 1HD2 LEU 61 1HD2 LEU 61 -11.067 -1.527 2.222 489 2HD2 LEU 61 2HD2 LEU 61 -11.473 -2.876 3.308 490 3HD2 LEU 61 3HD2 LEU 61 -12.173 -2.805 1.679 491 H THR 62 H THR 62 -11.719 0.062 6.875 492 HA THR 62 HA THR 62 -12.044 2.999 7.210 493 HB THR 62 HB THR 62 -11.592 0.974 9.444 494 HG1 THR 62 HG1 THR 62 -13.618 1.704 10.111 495 1HG2 THR 62 1HG2 THR 62 -11.816 4.021 9.464 496 2HG2 THR 62 2HG2 THR 62 -11.786 2.986 10.910 497 3HG2 THR 62 3HG2 THR 62 -10.361 3.079 9.866 498 H ILE 63 H ILE 63 -10.215 4.015 6.751 499 HA ILE 63 HA ILE 63 -7.635 2.532 6.744 500 HB ILE 63 HB ILE 63 -8.270 5.244 5.549 501 1HG1 ILE 63 1HG1 ILE 63 -8.164 2.564 4.094 502 2HG1 ILE 63 2HG1 ILE 63 -9.627 3.512 4.407 503 1HG2 ILE 63 1HG2 ILE 63 -5.869 4.681 6.149 504 2HG2 ILE 63 2HG2 ILE 63 -5.964 3.320 5.023 505 3HG2 ILE 63 3HG2 ILE 63 -6.122 4.990 4.439 506 1HD1 ILE 63 1HD1 ILE 63 -8.632 5.429 3.152 507 2HD1 ILE 63 2HD1 ILE 63 -7.296 4.357 2.655 508 3HD1 ILE 63 3HD1 ILE 63 -8.953 3.988 2.180 509 H VAL 64 H VAL 64 -6.431 2.815 8.523 510 HA VAL 64 HA VAL 64 -6.783 5.179 10.276 511 HB VAL 64 HB VAL 64 -4.984 2.733 10.517 512 1HG1 VAL 64 1HG1 VAL 64 -5.610 4.990 12.483 513 2HG1 VAL 64 2HG1 VAL 64 -4.691 3.519 12.862 514 3HG1 VAL 64 3HG1 VAL 64 -4.038 4.689 11.714 515 1HG2 VAL 64 1HG2 VAL 64 -7.595 3.453 11.915 516 2HG2 VAL 64 2HG2 VAL 64 -7.368 2.139 10.742 517 3HG2 VAL 64 3HG2 VAL 64 -6.555 2.073 12.312 518 H VAL 65 H VAL 65 -6.065 6.850 8.907 519 HA VAL 65 HA VAL 65 -3.329 6.728 7.774 520 HB VAL 65 HB VAL 65 -5.386 8.974 7.787 521 1HG1 VAL 65 1HG1 VAL 65 -2.753 8.629 6.268 522 2HG1 VAL 65 2HG1 VAL 65 -3.922 9.944 6.027 523 3HG1 VAL 65 3HG1 VAL 65 -3.051 9.814 7.556 524 1HG2 VAL 65 1HG2 VAL 65 -4.618 6.926 5.664 525 2HG2 VAL 65 2HG2 VAL 65 -6.206 7.118 6.448 526 3HG2 VAL 65 3HG2 VAL 65 -5.592 8.374 5.363 527 H ASP 66 H ASP 66 -2.153 6.420 9.662 528 HA ASP 66 HA ASP 66 -0.968 6.897 11.482 529 1HB ASP 66 1HB ASP 66 -0.250 8.919 10.394 530 2HB ASP 66 2HB ASP 66 -1.688 9.804 10.909 531 H GLY 67 H GLY 67 -3.497 9.369 11.987 532 1HA GLY 67 1HA GLY 67 -4.796 7.749 14.100 533 2HA GLY 67 2HA GLY 67 -4.100 9.315 14.564 534 H LYS 68 H LYS 68 -5.813 8.169 11.613 535 HA LYS 68 HA LYS 68 -8.175 9.794 12.233 536 1HB LYS 68 1HB LYS 68 -6.626 11.362 11.084 537 2HB LYS 68 2HB LYS 68 -6.565 10.271 9.688 538 1HG LYS 68 1HG LYS 68 -9.012 10.536 9.371 539 2HG LYS 68 2HG LYS 68 -9.098 11.549 10.826 540 1HD LYS 68 1HD LYS 68 -7.578 13.200 9.767 541 2HD LYS 68 2HD LYS 68 -7.517 12.200 8.299 542 1HE LYS 68 1HE LYS 68 -9.962 12.472 8.001 543 2HE LYS 68 2HE LYS 68 -10.050 13.417 9.501 544 1HZ LYS 68 1HZ LYS 68 -8.548 14.178 7.096 545 2HZ LYS 68 2HZ LYS 68 -9.990 14.813 7.578 546 3HZ LYS 68 3HZ LYS 68 -8.640 15.051 8.490 547 H GLU 69 H GLU 69 -9.704 8.318 12.042 548 HA GLU 69 HA GLU 69 -9.481 5.957 10.357 549 1HB GLU 69 1HB GLU 69 -11.637 7.017 12.228 550 2HB GLU 69 2HB GLU 69 -11.713 5.465 11.381 551 1HG GLU 69 1HG GLU 69 -9.599 4.761 12.488 552 2HG GLU 69 2HG GLU 69 -9.565 6.289 13.386 553 H ILE 70 H ILE 70 -9.384 7.000 8.243 554 HA ILE 70 HA ILE 70 -11.714 8.502 7.297 555 HB ILE 70 HB ILE 70 -9.395 7.334 5.719 556 1HG1 ILE 70 1HG1 ILE 70 -9.823 10.079 6.977 557 2HG1 ILE 70 2HG1 ILE 70 -8.540 8.912 7.344 558 1HG2 ILE 70 1HG2 ILE 70 -11.493 7.830 4.402 559 2HG2 ILE 70 2HG2 ILE 70 -11.422 9.499 4.993 560 3HG2 ILE 70 3HG2 ILE 70 -10.140 8.852 3.947 561 1HD1 ILE 70 1HD1 ILE 70 -7.754 9.161 4.941 562 2HD1 ILE 70 2HD1 ILE 70 -8.865 10.545 4.809 563 3HD1 ILE 70 3HD1 ILE 70 -7.547 10.580 5.990 564 H LYS 71 H LYS 71 -13.584 7.367 7.202 565 HA LYS 71 HA LYS 71 -13.705 4.539 6.587 566 1HB LYS 71 1HB LYS 71 -15.852 6.673 6.844 567 2HB LYS 71 2HB LYS 71 -16.155 4.950 6.539 568 1HG LYS 71 1HG LYS 71 -15.027 4.338 8.648 569 2HG LYS 71 2HG LYS 71 -14.636 6.035 8.955 570 1HD LYS 71 1HD LYS 71 -16.525 5.417 10.299 571 2HD LYS 71 2HD LYS 71 -17.050 6.586 9.076 572 1HE LYS 71 1HE LYS 71 -18.057 4.773 7.737 573 2HE LYS 71 2HE LYS 71 -17.396 3.556 8.846 574 1HZ LYS 71 1HZ LYS 71 -19.372 5.617 9.528 575 2HZ LYS 71 2HZ LYS 71 -19.690 4.021 9.268 576 3HZ LYS 71 3HZ LYS 71 -18.777 4.479 10.561 577 H VAL 72 H VAL 72 -13.908 3.598 4.657 578 HA VAL 72 HA VAL 72 -14.620 5.179 2.253 579 HB VAL 72 HB VAL 72 -12.797 4.149 1.003 580 1HG1 VAL 72 1HG1 VAL 72 -12.368 6.359 2.084 581 2HG1 VAL 72 2HG1 VAL 72 -11.662 5.516 3.478 582 3HG1 VAL 72 3HG1 VAL 72 -10.906 5.395 1.883 583 1HG2 VAL 72 1HG2 VAL 72 -11.941 2.946 3.673 584 2HG2 VAL 72 2HG2 VAL 72 -12.489 2.084 2.215 585 3HG2 VAL 72 3HG2 VAL 72 -10.960 2.956 2.199 586 H LYS 73 H LYS 73 -15.123 3.670 0.381 587 HA LYS 73 HA LYS 73 -16.206 1.057 1.351 588 1HB LYS 73 1HB LYS 73 -17.898 2.913 0.991 589 2HB LYS 73 2HB LYS 73 -17.535 2.774 -0.734 590 1HG LYS 73 1HG LYS 73 -18.022 0.125 0.448 591 2HG LYS 73 2HG LYS 73 -19.333 1.196 0.892 592 1HD LYS 73 1HD LYS 73 -18.425 0.982 -2.007 593 2HD LYS 73 2HD LYS 73 -19.470 -0.234 -1.274 594 1HE LYS 73 1HE LYS 73 -20.826 1.410 -2.436 595 2HE LYS 73 2HE LYS 73 -21.160 1.424 -0.699 596 1HZ LYS 73 1HZ LYS 73 -19.449 3.336 -2.131 597 2HZ LYS 73 2HZ LYS 73 -20.980 3.624 -1.594 598 3HZ LYS 73 3HZ LYS 73 -19.764 3.357 -0.514 599 H ALA 74 H ALA 74 -13.775 2.229 -0.471 600 HA ALA 74 HA ALA 74 -12.421 1.376 -2.014 601 1HB ALA 74 1HB ALA 74 -13.956 -1.162 -1.479 602 2HB ALA 74 2HB ALA 74 -12.603 -1.064 -2.608 603 3HB ALA 74 3HB ALA 74 -12.367 -0.657 -0.900 604 H GLN 75 H GLN 75 -12.307 2.122 -4.008 605 HA GLN 75 HA GLN 75 -14.721 2.148 -5.706 606 1HB GLN 75 1HB GLN 75 -13.239 4.161 -4.891 607 2HB GLN 75 2HB GLN 75 -12.210 3.778 -6.240 608 1HG GLN 75 1HG GLN 75 -15.223 4.321 -6.386 609 2HG GLN 75 2HG GLN 75 -13.965 5.520 -6.684 610 1HE2 GLN 75 2HE2 GLN 75 -12.424 5.136 -8.482 611 2HE2 GLN 75 1HE2 GLN 75 -12.976 4.223 -9.875 612 H ASP 76 H ASP 76 -12.068 2.590 -7.741 613 HA ASP 76 HA ASP 76 -12.294 -0.122 -8.832 614 1HB ASP 76 1HB ASP 76 -10.739 2.349 -9.697 615 2HB ASP 76 2HB ASP 76 -10.746 0.810 -10.569 616 H VAL 77 H VAL 77 -11.450 -0.724 -6.519 617 HA VAL 77 HA VAL 77 -8.580 -0.654 -6.163 618 HB VAL 77 HB VAL 77 -8.986 -2.213 -4.330 619 1HG1 VAL 77 1HG1 VAL 77 -9.377 0.273 -4.105 620 2HG1 VAL 77 2HG1 VAL 77 -11.107 -0.034 -4.330 621 3HG1 VAL 77 3HG1 VAL 77 -10.255 -0.717 -2.931 622 1HG2 VAL 77 1HG2 VAL 77 -11.897 -2.276 -5.239 623 2HG2 VAL 77 2HG2 VAL 77 -10.761 -3.642 -5.161 624 3HG2 VAL 77 3HG2 VAL 77 -11.285 -2.851 -3.680 625 H GLN 78 H GLN 78 -7.061 -1.967 -7.058 626 HA GLN 78 HA GLN 78 -8.045 -3.911 -9.048 627 1HB GLN 78 1HB GLN 78 -6.612 -1.986 -9.667 628 2HB GLN 78 2HB GLN 78 -5.276 -2.707 -8.755 629 1HG GLN 78 1HG GLN 78 -5.312 -4.694 -10.180 630 2HG GLN 78 2HG GLN 78 -6.765 -4.121 -11.014 631 1HE2 GLN 78 2HE2 GLN 78 -6.514 -1.779 -11.975 632 2HE2 GLN 78 1HE2 GLN 78 -5.028 -1.516 -12.861 633 H ARG 79 H ARG 79 -8.021 -5.993 -8.596 634 HA ARG 79 HA ARG 79 -6.207 -7.120 -6.508 635 1HB ARG 79 1HB ARG 79 -8.774 -8.393 -7.486 636 2HB ARG 79 2HB ARG 79 -7.848 -8.708 -6.020 637 1HG ARG 79 1HG ARG 79 -9.542 -7.511 -5.063 638 2HG ARG 79 2HG ARG 79 -8.476 -6.168 -5.459 639 1HD ARG 79 1HD ARG 79 -10.771 -5.658 -6.099 640 2HD ARG 79 2HD ARG 79 -9.799 -5.807 -7.568 641 HE ARG 79 HE ARG 79 -11.027 -8.310 -6.920 642 1HH1 ARG 79 1HH2 ARG 79 -11.772 -5.089 -8.225 643 2HH1 ARG 79 2HH2 ARG 79 -13.116 -5.651 -9.185 644 1HH2 ARG 79 1HH1 ARG 79 -12.817 -9.030 -8.174 645 2HH2 ARG 79 2HH1 ARG 79 -13.706 -7.899 -9.159 646 H HIS 80 H HIS 80 -5.979 -9.639 -6.990 647 HA HIS 80 HA HIS 80 -5.935 -10.320 -9.823 648 1HB HIS 80 1HB HIS 80 -3.812 -9.084 -9.494 649 2HB HIS 80 2HB HIS 80 -3.348 -10.235 -8.241 650 HD1 HIS 80 HD1 HIS 80 -4.945 -11.487 -11.508 651 HD2 HIS 80 HD2 HIS 80 -1.181 -10.935 -9.719 652 HE1 HIS 80 HE1 HIS 80 -3.251 -12.700 -12.978 653 HA PRO 81 HA PRO 81 -6.872 -13.918 -7.188 654 1HB PRO 81 1HB PRO 81 -8.058 -15.538 -9.071 655 2HB PRO 81 2HB PRO 81 -8.871 -14.174 -8.273 656 1HG PRO 81 1HG PRO 81 -7.603 -14.250 -11.001 657 2HG PRO 81 2HG PRO 81 -9.144 -13.494 -10.523 658 1HD PRO 81 1HD PRO 81 -6.808 -12.097 -10.841 659 2HD PRO 81 2HD PRO 81 -8.052 -11.606 -9.656 660 H TYR 82 H TYR 82 -5.587 -14.503 -10.515 661 HA TYR 82 HA TYR 82 -4.699 -17.085 -10.134 662 1HB TYR 82 1HB TYR 82 -3.594 -14.912 -11.944 663 2HB TYR 82 2HB TYR 82 -3.123 -16.601 -12.044 664 HD1 TYR 82 HD1 TYR 82 -5.753 -14.176 -12.856 665 HD2 TYR 82 HD2 TYR 82 -4.765 -18.370 -12.658 666 HE1 TYR 82 HE1 TYR 82 -7.733 -14.713 -14.248 667 HE2 TYR 82 HE2 TYR 82 -6.724 -18.899 -14.074 668 HH TYR 82 HH TYR 82 -8.544 -18.067 -15.211 669 H LYS 83 H LYS 83 -2.802 -14.089 -9.591 670 HA LYS 83 HA LYS 83 -0.991 -15.669 -7.834 671 1HB LYS 83 1HB LYS 83 -0.220 -13.308 -9.570 672 2HB LYS 83 2HB LYS 83 0.817 -14.124 -8.391 673 1HG LYS 83 1HG LYS 83 0.526 -16.263 -9.670 674 2HG LYS 83 2HG LYS 83 -0.374 -15.380 -10.912 675 1HD LYS 83 1HD LYS 83 2.510 -14.820 -10.088 676 2HD LYS 83 2HD LYS 83 1.998 -15.758 -11.502 677 1HE LYS 83 1HE LYS 83 0.780 -13.729 -12.363 678 2HE LYS 83 2HE LYS 83 1.459 -12.791 -11.017 679 1HZ LYS 83 1HZ LYS 83 3.638 -13.319 -11.830 680 2HZ LYS 83 2HZ LYS 83 3.005 -14.180 -13.085 681 3HZ LYS 83 3HZ LYS 83 2.748 -12.556 -12.988 682 HA PRO 84 HA PRO 84 -2.924 -12.641 -5.109 683 1HB PRO 84 1HB PRO 84 -1.768 -13.297 -2.735 684 2HB PRO 84 2HB PRO 84 -2.902 -14.387 -3.574 685 1HG PRO 84 1HG PRO 84 0.125 -14.474 -3.664 686 2HG PRO 84 2HG PRO 84 -0.999 -15.816 -3.311 687 1HD PRO 84 1HD PRO 84 0.028 -15.398 -5.803 688 2HD PRO 84 2HD PRO 84 -1.646 -15.986 -5.575 689 H LYS 85 H LYS 85 -1.860 -10.956 -6.409 690 HA LYS 85 HA LYS 85 0.341 -9.609 -4.941 691 1HB LYS 85 1HB LYS 85 1.172 -10.995 -6.907 692 2HB LYS 85 2HB LYS 85 0.264 -9.900 -7.966 693 1HG LYS 85 1HG LYS 85 1.577 -7.977 -7.040 694 2HG LYS 85 2HG LYS 85 2.433 -9.111 -5.975 695 1HD LYS 85 1HD LYS 85 3.273 -10.323 -8.017 696 2HD LYS 85 2HD LYS 85 2.445 -9.124 -9.027 697 1HE LYS 85 1HE LYS 85 4.796 -8.538 -8.863 698 2HE LYS 85 2HE LYS 85 3.836 -7.316 -8.012 699 1HZ LYS 85 1HZ LYS 85 5.262 -9.557 -6.747 700 2HZ LYS 85 2HZ LYS 85 5.779 -7.992 -6.788 701 3HZ LYS 85 3HZ LYS 85 4.413 -8.385 -5.957 702 H LEU 86 H LEU 86 0.018 -7.482 -4.655 703 HA LEU 86 HA LEU 86 -2.424 -6.244 -5.744 704 1HB LEU 86 1HB LEU 86 -0.330 -5.461 -3.690 705 2HB LEU 86 2HB LEU 86 -1.471 -4.284 -4.326 706 HG LEU 86 HG LEU 86 -2.156 -5.197 -2.168 707 1HD1 LEU 86 1HD1 LEU 86 -3.788 -4.297 -3.805 708 2HD1 LEU 86 2HD1 LEU 86 -4.140 -5.955 -4.343 709 3HD1 LEU 86 3HD1 LEU 86 -4.474 -5.477 -2.670 710 1HD2 LEU 86 1HD2 LEU 86 -1.316 -7.525 -2.449 711 2HD2 LEU 86 2HD2 LEU 86 -2.992 -7.419 -1.875 712 3HD2 LEU 86 3HD2 LEU 86 -2.669 -7.840 -3.567 713 H GLN 87 H GLN 87 -2.363 -4.160 -6.715 714 HA GLN 87 HA GLN 87 0.110 -3.452 -8.236 715 1HB GLN 87 1HB GLN 87 -2.768 -3.632 -9.231 716 2HB GLN 87 2HB GLN 87 -1.457 -2.845 -10.124 717 1HG GLN 87 1HG GLN 87 -1.456 -5.796 -9.316 718 2HG GLN 87 2HG GLN 87 -2.006 -5.176 -10.867 719 1HE2 GLN 87 2HE2 GLN 87 0.875 -5.587 -8.800 720 2HE2 GLN 87 1HE2 GLN 87 2.033 -5.383 -10.101 721 H HIS 88 H HIS 88 -3.238 -2.273 -7.569 722 HA HIS 88 HA HIS 88 -2.211 0.012 -6.117 723 1HB HIS 88 1HB HIS 88 -1.957 0.669 -8.560 724 2HB HIS 88 2HB HIS 88 -3.707 0.484 -8.730 725 HD1 HIS 88 HD1 HIS 88 -5.170 2.519 -7.759 726 HD2 HIS 88 HD2 HIS 88 -1.046 2.658 -6.907 727 HE1 HIS 88 HE1 HIS 88 -4.713 4.789 -6.714 728 H ILE 89 H ILE 89 -3.918 1.180 -5.080 729 HA ILE 89 HA ILE 89 -6.595 -0.136 -5.032 730 HB ILE 89 HB ILE 89 -4.791 0.596 -2.709 731 1HG1 ILE 89 1HG1 ILE 89 -4.349 -1.646 -3.701 732 2HG1 ILE 89 2HG1 ILE 89 -4.902 -1.691 -2.031 733 1HG2 ILE 89 1HG2 ILE 89 -7.719 -0.208 -2.646 734 2HG2 ILE 89 2HG2 ILE 89 -6.639 -0.157 -1.245 735 3HG2 ILE 89 3HG2 ILE 89 -7.020 1.329 -2.132 736 1HD1 ILE 89 1HD1 ILE 89 -6.623 -2.303 -4.471 737 2HD1 ILE 89 2HD1 ILE 89 -5.914 -3.473 -3.356 738 3HD1 ILE 89 3HD1 ILE 89 -7.157 -2.377 -2.767 739 H ASP 90 H ASP 90 -8.042 1.287 -5.616 740 HA ASP 90 HA ASP 90 -7.677 4.206 -5.085 741 1HB ASP 90 1HB ASP 90 -9.350 2.735 -7.157 742 2HB ASP 90 2HB ASP 90 -9.238 4.488 -6.929 743 H PHE 91 H PHE 91 -8.661 4.525 -3.117 744 HA PHE 91 HA PHE 91 -11.155 3.112 -2.428 745 1HB PHE 91 1HB PHE 91 -9.447 5.105 -0.920 746 2HB PHE 91 2HB PHE 91 -10.895 4.342 -0.291 747 HD1 PHE 91 HD1 PHE 91 -10.967 1.731 -0.246 748 HD2 PHE 91 HD2 PHE 91 -7.349 4.071 -0.477 749 HE1 PHE 91 HE1 PHE 91 -9.717 -0.089 0.870 750 HE2 PHE 91 HE2 PHE 91 -6.128 2.283 0.729 751 HZ PHE 91 HZ PHE 91 -7.310 0.206 1.410 752 H VAL 92 H VAL 92 -13.018 4.340 -1.623 753 HA VAL 92 HA VAL 92 -13.274 7.129 -2.583 754 HB VAL 92 HB VAL 92 -14.420 5.883 -4.252 755 1HG1 VAL 92 1HG1 VAL 92 -14.885 3.761 -2.956 756 2HG1 VAL 92 2HG1 VAL 92 -16.190 4.615 -2.110 757 3HG1 VAL 92 3HG1 VAL 92 -16.272 4.379 -3.859 758 1HG2 VAL 92 1HG2 VAL 92 -15.407 7.995 -3.499 759 2HG2 VAL 92 2HG2 VAL 92 -16.620 6.861 -4.114 760 3HG2 VAL 92 3HG2 VAL 92 -16.457 7.111 -2.368 761 H ARG 93 H ARG 93 -13.823 8.409 -0.922 762 HA ARG 93 HA ARG 93 -14.220 7.487 1.713 763 1HB ARG 93 1HB ARG 93 -14.769 10.144 0.377 764 2HB ARG 93 2HB ARG 93 -15.016 9.876 2.110 765 1HG ARG 93 1HG ARG 93 -12.723 9.288 2.476 766 2HG ARG 93 2HG ARG 93 -12.372 9.262 0.741 767 1HD ARG 93 1HD ARG 93 -12.745 11.652 0.557 768 2HD ARG 93 2HD ARG 93 -13.252 11.748 2.260 769 HE ARG 93 HE ARG 93 -10.744 10.614 2.375 770 1HH1 ARG 93 1HH2 ARG 93 -11.999 13.622 0.944 771 2HH1 ARG 93 2HH2 ARG 93 -10.554 14.529 1.307 772 1HH2 ARG 93 1HH1 ARG 93 -8.848 11.824 2.794 773 2HH2 ARG 93 2HH1 ARG 93 -8.750 13.500 2.322 774 H ALA 94 H ALA 94 -15.911 6.823 2.855 775 HA ALA 94 HA ALA 94 -18.426 6.268 1.504 776 1HB ALA 94 1HB ALA 94 -17.485 5.780 4.364 777 2HB ALA 94 2HB ALA 94 -18.974 5.136 3.631 778 3HB ALA 94 3HB ALA 94 -17.389 4.637 3.009 Start of MODEL 4 1 H MET 1 H MET 1 -14.436 -0.753 8.530 2 HA MET 1 HA MET 1 -14.655 -2.898 10.195 3 1HB MET 1 1HB MET 1 -15.202 -3.883 7.373 4 2HB MET 1 2HB MET 1 -15.097 -4.861 8.839 5 1HG MET 1 1HG MET 1 -17.312 -2.863 8.198 6 2HG MET 1 2HG MET 1 -17.358 -4.609 8.034 7 1HE MET 1 1HE MET 1 -18.055 -1.628 10.310 8 2HE MET 1 2HE MET 1 -17.976 -2.298 11.953 9 3HE MET 1 3HE MET 1 -16.483 -1.983 11.060 10 H PHE 2 H PHE 2 -13.036 -4.805 9.336 11 HA PHE 2 HA PHE 2 -10.872 -5.312 8.998 12 1HB PHE 2 1HB PHE 2 -10.888 -3.198 6.814 13 2HB PHE 2 2HB PHE 2 -9.816 -4.579 6.948 14 HD1 PHE 2 HD1 PHE 2 -10.705 -6.928 6.625 15 HD2 PHE 2 HD2 PHE 2 -13.065 -3.420 5.783 16 HE1 PHE 2 HE1 PHE 2 -12.176 -8.265 5.145 17 HE2 PHE 2 HE2 PHE 2 -14.556 -4.770 4.345 18 HZ PHE 2 HZ PHE 2 -14.122 -7.196 4.026 19 H THR 3 H THR 3 -8.531 -4.015 8.482 20 HA THR 3 HA THR 3 -8.403 -1.460 9.893 21 HB THR 3 HB THR 3 -6.794 -3.815 10.990 22 HG1 THR 3 HG1 THR 3 -9.223 -2.674 11.796 23 1HG2 THR 3 1HG2 THR 3 -7.223 -0.959 11.992 24 2HG2 THR 3 2HG2 THR 3 -6.272 -2.220 12.801 25 3HG2 THR 3 3HG2 THR 3 -5.728 -1.567 11.246 26 H ILE 4 H ILE 4 -7.890 -0.917 7.662 27 HA ILE 4 HA ILE 4 -5.437 -2.018 6.487 28 HB ILE 4 HB ILE 4 -7.262 0.252 5.624 29 1HG1 ILE 4 1HG1 ILE 4 -7.697 -1.236 3.688 30 2HG1 ILE 4 2HG1 ILE 4 -6.751 -2.521 4.444 31 1HG2 ILE 4 1HG2 ILE 4 -4.812 -0.929 4.240 32 2HG2 ILE 4 2HG2 ILE 4 -5.932 0.258 3.542 33 3HG2 ILE 4 3HG2 ILE 4 -4.918 0.711 4.906 34 1HD1 ILE 4 1HD1 ILE 4 -9.255 -1.290 5.680 35 2HD1 ILE 4 2HD1 ILE 4 -9.258 -2.719 4.627 36 3HD1 ILE 4 3HD1 ILE 4 -8.422 -2.790 6.175 37 H ASN 5 H ASN 5 -3.764 -1.631 7.856 38 HA ASN 5 HA ASN 5 -3.255 0.854 9.206 39 1HB ASN 5 1HB ASN 5 -2.328 -1.250 10.015 40 2HB ASN 5 2HB ASN 5 -1.474 -1.501 8.485 41 1HD2 ASN 5 2HD2 ASN 5 -1.807 1.145 10.956 42 2HD2 ASN 5 1HD2 ASN 5 -0.094 1.504 11.013 43 H ALA 6 H ALA 6 -2.771 2.720 8.170 44 HA ALA 6 HA ALA 6 -1.037 2.666 5.740 45 1HB ALA 6 1HB ALA 6 -3.438 2.919 5.105 46 2HB ALA 6 2HB ALA 6 -3.537 4.349 6.159 47 3HB ALA 6 3HB ALA 6 -2.476 4.362 4.738 48 H GLU 7 H GLU 7 -0.374 4.996 5.251 49 HA GLU 7 HA GLU 7 -0.083 6.773 7.530 50 1HB GLU 7 1HB GLU 7 1.767 4.922 7.604 51 2HB GLU 7 2HB GLU 7 2.475 5.761 6.217 52 1HG GLU 7 1HG GLU 7 2.701 7.810 7.600 53 2HG GLU 7 2HG GLU 7 1.814 7.033 8.921 54 H VAL 8 H VAL 8 1.121 8.788 6.724 55 HA VAL 8 HA VAL 8 -0.224 9.604 4.301 56 HB VAL 8 HB VAL 8 0.652 11.848 4.909 57 1HG1 VAL 8 1HG1 VAL 8 -1.510 11.014 5.744 58 2HG1 VAL 8 2HG1 VAL 8 -0.708 10.330 7.175 59 3HG1 VAL 8 3HG1 VAL 8 -0.723 12.084 6.917 60 1HG2 VAL 8 1HG2 VAL 8 2.785 11.122 6.088 61 2HG2 VAL 8 2HG2 VAL 8 1.777 12.240 7.014 62 3HG2 VAL 8 3HG2 VAL 8 1.785 10.521 7.423 63 H ARG 9 H ARG 9 1.244 7.825 3.229 64 HA ARG 9 HA ARG 9 2.889 7.173 1.900 65 1HB ARG 9 1HB ARG 9 1.652 9.150 0.656 66 2HB ARG 9 2HB ARG 9 3.238 9.914 0.719 67 1HG ARG 9 1HG ARG 9 2.502 7.176 -0.445 68 2HG ARG 9 2HG ARG 9 2.889 8.635 -1.362 69 1HD ARG 9 1HD ARG 9 5.229 8.558 -0.469 70 2HD ARG 9 2HD ARG 9 4.820 7.093 0.439 71 HE ARG 9 HE ARG 9 4.962 5.807 -1.399 72 1HH1 ARG 9 1HH2 ARG 9 4.823 9.189 -2.482 73 2HH1 ARG 9 2HH2 ARG 9 5.219 8.803 -4.136 74 1HH2 ARG 9 1HH1 ARG 9 5.455 5.320 -3.561 75 2HH2 ARG 9 2HH1 ARG 9 5.567 6.583 -4.757 76 H LYS 10 H LYS 10 3.841 7.331 4.291 77 HA LYS 10 HA LYS 10 6.168 9.038 4.577 78 1HB LYS 10 1HB LYS 10 4.660 8.328 6.384 79 2HB LYS 10 2HB LYS 10 5.228 6.675 6.240 80 1HG LYS 10 1HG LYS 10 6.996 9.113 6.835 81 2HG LYS 10 2HG LYS 10 6.187 8.193 8.094 82 1HD LYS 10 1HD LYS 10 8.372 7.119 6.271 83 2HD LYS 10 2HD LYS 10 8.516 7.587 7.959 84 1HE LYS 10 1HE LYS 10 6.934 5.836 8.655 85 2HE LYS 10 2HE LYS 10 6.741 5.302 6.976 86 1HZ LYS 10 1HZ LYS 10 9.250 5.257 8.467 87 2HZ LYS 10 2HZ LYS 10 8.283 3.966 8.127 88 3HZ LYS 10 3HZ LYS 10 9.033 4.772 6.901 89 H GLU 11 H GLU 11 7.072 8.461 2.561 90 HA GLU 11 HA GLU 11 9.203 6.583 2.787 91 1HB GLU 11 1HB GLU 11 7.111 5.173 1.978 92 2HB GLU 11 2HB GLU 11 7.375 5.994 0.437 93 1HG GLU 11 1HG GLU 11 8.525 3.870 0.410 94 2HG GLU 11 2HG GLU 11 9.748 5.141 0.478 95 H GLN 12 H GLN 12 7.197 8.662 0.743 96 HA GLN 12 HA GLN 12 7.601 10.483 -0.443 97 1HB GLN 12 1HB GLN 12 8.935 11.044 1.594 98 2HB GLN 12 2HB GLN 12 10.402 10.527 0.746 99 1HG GLN 12 1HG GLN 12 9.956 12.243 -1.019 100 2HG GLN 12 2HG GLN 12 8.494 12.736 -0.157 101 1HE2 GLN 12 2HE2 GLN 12 8.718 13.798 1.936 102 2HE2 GLN 12 1HE2 GLN 12 10.230 14.567 2.372 103 H GLY 13 H GLY 13 7.396 8.819 -2.188 104 1HA GLY 13 1HA GLY 13 9.692 8.130 -3.809 105 2HA GLY 13 2HA GLY 13 7.982 8.042 -4.260 106 H LYS 14 H LYS 14 9.264 8.787 -6.299 107 HA LYS 14 HA LYS 14 9.638 10.302 -7.890 108 1HB LYS 14 1HB LYS 14 7.308 11.068 -6.976 109 2HB LYS 14 2HB LYS 14 8.166 12.483 -6.376 110 1HG LYS 14 1HG LYS 14 8.016 11.481 -9.261 111 2HG LYS 14 2HG LYS 14 7.115 12.832 -8.562 112 1HD LYS 14 1HD LYS 14 9.276 14.046 -8.169 113 2HD LYS 14 2HD LYS 14 10.141 12.694 -8.926 114 1HE LYS 14 1HE LYS 14 9.899 14.424 -10.566 115 2HE LYS 14 2HE LYS 14 8.876 13.057 -11.038 116 1HZ LYS 14 1HZ LYS 14 7.963 15.509 -9.694 117 2HZ LYS 14 2HZ LYS 14 7.777 15.157 -11.292 118 3HZ LYS 14 3HZ LYS 14 6.999 14.254 -10.157 119 H GLY 15 H GLY 15 11.775 9.856 -6.747 120 1HA GLY 15 1HA GLY 15 13.736 11.533 -6.962 121 2HA GLY 15 2HA GLY 15 13.044 12.244 -5.491 122 H ALA 16 H ALA 16 12.806 10.882 -3.587 123 HA ALA 16 HA ALA 16 14.963 8.911 -3.262 124 1HB ALA 16 1HB ALA 16 14.551 10.585 -1.529 125 2HB ALA 16 2HB ALA 16 12.895 9.995 -1.308 126 3HB ALA 16 3HB ALA 16 14.275 8.949 -0.913 127 H SER 17 H SER 17 14.119 7.399 -4.853 128 HA SER 17 HA SER 17 11.639 6.263 -5.013 129 1HB SER 17 1HB SER 17 14.287 4.800 -5.374 130 2HB SER 17 2HB SER 17 12.720 4.358 -6.086 131 HG SER 17 HG SER 17 12.753 6.433 -7.120 132 H ARG 18 H ARG 18 14.291 5.155 -2.875 133 HA ARG 18 HA ARG 18 14.294 4.111 -0.874 134 1HB ARG 18 1HB ARG 18 11.640 5.571 -0.931 135 2HB ARG 18 2HB ARG 18 12.086 4.670 0.489 136 1HG ARG 18 1HG ARG 18 14.144 6.548 -0.652 137 2HG ARG 18 2HG ARG 18 12.748 7.231 0.191 138 1HD ARG 18 1HD ARG 18 14.541 5.082 1.382 139 2HD ARG 18 2HD ARG 18 14.754 6.805 1.681 140 HE ARG 18 HE ARG 18 12.535 5.050 2.600 141 1HH1 ARG 18 1HH2 ARG 18 13.720 8.405 2.429 142 2HH1 ARG 18 2HH2 ARG 18 12.581 8.971 3.622 143 1HH2 ARG 18 1HH1 ARG 18 11.062 5.805 4.047 144 2HH2 ARG 18 2HH1 ARG 18 11.078 7.468 4.603 145 H ARG 19 H ARG 19 12.605 2.813 0.736 146 HA ARG 19 HA ARG 19 12.326 0.185 -0.401 147 1HB ARG 19 1HB ARG 19 11.481 1.474 2.228 148 2HB ARG 19 2HB ARG 19 11.255 -0.240 1.860 149 1HG ARG 19 1HG ARG 19 13.664 -0.552 1.561 150 2HG ARG 19 2HG ARG 19 13.955 1.177 1.852 151 1HD ARG 19 1HD ARG 19 13.023 0.985 4.112 152 2HD ARG 19 2HD ARG 19 12.673 -0.739 3.848 153 HE ARG 19 HE ARG 19 15.380 -0.466 3.306 154 1HH1 ARG 19 1HH2 ARG 19 13.292 0.121 6.116 155 2HH1 ARG 19 2HH2 ARG 19 14.552 -0.201 7.279 156 1HH2 ARG 19 1HH1 ARG 19 17.021 -0.902 4.843 157 2HH2 ARG 19 2HH1 ARG 19 16.681 -0.791 6.550 158 H LEU 20 H LEU 20 10.972 0.717 -2.225 159 HA LEU 20 HA LEU 20 8.071 0.756 -1.554 160 1HB LEU 20 1HB LEU 20 8.945 3.023 -2.306 161 2HB LEU 20 2HB LEU 20 9.406 2.268 -3.832 162 HG LEU 20 HG LEU 20 6.919 1.567 -4.058 163 1HD1 LEU 20 1HD1 LEU 20 6.673 3.639 -1.818 164 2HD1 LEU 20 2HD1 LEU 20 5.322 3.035 -2.791 165 3HD1 LEU 20 3HD1 LEU 20 6.189 1.932 -1.723 166 1HD2 LEU 20 1HD2 LEU 20 7.662 4.521 -4.048 167 2HD2 LEU 20 2HD2 LEU 20 7.961 3.370 -5.367 168 3HD2 LEU 20 3HD2 LEU 20 6.298 3.787 -4.929 169 H ARG 21 H ARG 21 10.457 0.302 -4.176 170 HA ARG 21 HA ARG 21 8.909 -1.923 -5.327 171 1HB ARG 21 1HB ARG 21 10.470 -1.941 -7.104 172 2HB ARG 21 2HB ARG 21 9.805 -0.329 -6.900 173 1HG ARG 21 1HG ARG 21 12.579 -1.105 -5.854 174 2HG ARG 21 2HG ARG 21 12.261 -0.606 -7.507 175 1HD ARG 21 1HD ARG 21 11.248 1.557 -6.595 176 2HD ARG 21 2HD ARG 21 11.898 1.096 -5.016 177 HE ARG 21 HE ARG 21 13.987 1.627 -5.633 178 1HH1 ARG 21 1HH2 ARG 21 12.049 1.390 -8.605 179 2HH1 ARG 21 2HH2 ARG 21 13.285 2.097 -9.611 180 1HH2 ARG 21 1HH1 ARG 21 15.592 2.553 -6.971 181 2HH2 ARG 21 2HH1 ARG 21 15.305 2.759 -8.677 182 H ALA 22 H ALA 22 11.930 -1.336 -3.523 183 HA ALA 22 HA ALA 22 12.925 -4.022 -3.708 184 1HB ALA 22 1HB ALA 22 13.491 -1.817 -1.680 185 2HB ALA 22 2HB ALA 22 14.423 -3.319 -1.879 186 3HB ALA 22 3HB ALA 22 14.376 -2.124 -3.191 187 H ALA 23 H ALA 23 11.263 -2.236 -1.048 188 HA ALA 23 HA ALA 23 10.608 -4.675 0.419 189 1HB ALA 23 1HB ALA 23 9.616 -1.807 0.682 190 2HB ALA 23 2HB ALA 23 9.281 -3.127 1.825 191 3HB ALA 23 3HB ALA 23 10.948 -2.559 1.600 192 H ASN 24 H ASN 24 8.376 -5.376 0.760 193 HA ASN 24 HA ASN 24 6.912 -5.458 -1.755 194 1HB ASN 24 1HB ASN 24 7.387 -7.416 -0.209 195 2HB ASN 24 2HB ASN 24 6.183 -6.761 0.903 196 1HD2 ASN 24 2HD2 ASN 24 5.188 -8.941 0.496 197 2HD2 ASN 24 1HD2 ASN 24 4.199 -9.165 -0.932 198 H LYS 25 H LYS 25 6.477 -3.145 -1.772 199 HA LYS 25 HA LYS 25 4.081 -2.296 -0.208 200 1HB LYS 25 1HB LYS 25 6.768 -0.893 -0.545 201 2HB LYS 25 2HB LYS 25 5.285 -0.033 -0.102 202 1HG LYS 25 1HG LYS 25 5.019 -1.436 1.876 203 2HG LYS 25 2HG LYS 25 6.528 -2.300 1.519 204 1HD LYS 25 1HD LYS 25 7.819 -0.253 1.721 205 2HD LYS 25 2HD LYS 25 6.360 0.728 1.886 206 1HE LYS 25 1HE LYS 25 7.392 -1.338 3.879 207 2HE LYS 25 2HE LYS 25 7.416 0.429 4.048 208 1HZ LYS 25 1HZ LYS 25 4.961 0.313 3.875 209 2HZ LYS 25 2HZ LYS 25 5.079 -1.331 4.012 210 3HZ LYS 25 3HZ LYS 25 5.594 -0.371 5.242 211 H PHE 26 H PHE 26 3.062 -0.361 -1.170 212 HA PHE 26 HA PHE 26 3.829 0.514 -3.785 213 1HB PHE 26 1HB PHE 26 1.952 -0.248 -5.073 214 2HB PHE 26 2HB PHE 26 2.696 -1.663 -4.365 215 HD1 PHE 26 HD1 PHE 26 1.634 -2.562 -2.129 216 HD2 PHE 26 HD2 PHE 26 -0.367 0.120 -4.847 217 HE1 PHE 26 HE1 PHE 26 -0.534 -3.149 -1.110 218 HE2 PHE 26 HE2 PHE 26 -2.538 -0.435 -3.790 219 HZ PHE 26 HZ PHE 26 -2.634 -2.085 -1.943 220 HA PRO 27 HA PRO 27 1.444 3.869 -2.048 221 1HB PRO 27 1HB PRO 27 1.076 5.529 -4.164 222 2HB PRO 27 2HB PRO 27 2.698 5.207 -3.485 223 1HG PRO 27 1HG PRO 27 1.411 3.883 -5.890 224 2HG PRO 27 2HG PRO 27 3.042 4.605 -5.784 225 1HD PRO 27 1HD PRO 27 2.585 1.923 -5.465 226 2HD PRO 27 2HD PRO 27 3.864 2.769 -4.554 227 H ALA 28 H ALA 28 -0.720 4.390 -1.742 228 HA ALA 28 HA ALA 28 -2.752 3.507 -3.740 229 1HB ALA 28 1HB ALA 28 -2.899 3.106 -0.727 230 2HB ALA 28 2HB ALA 28 -4.228 2.838 -1.871 231 3HB ALA 28 3HB ALA 28 -2.764 1.838 -1.965 232 H ILE 29 H ILE 29 -4.868 4.691 -3.267 233 HA ILE 29 HA ILE 29 -4.269 7.520 -2.509 234 HB ILE 29 HB ILE 29 -5.452 6.432 -5.088 235 1HG1 ILE 29 1HG1 ILE 29 -2.967 8.121 -4.499 236 2HG1 ILE 29 2HG1 ILE 29 -2.972 6.421 -4.977 237 1HG2 ILE 29 1HG2 ILE 29 -6.729 8.434 -4.369 238 2HG2 ILE 29 2HG2 ILE 29 -5.201 9.336 -4.218 239 3HG2 ILE 29 3HG2 ILE 29 -5.768 8.756 -5.797 240 1HD1 ILE 29 1HD1 ILE 29 -4.100 7.105 -7.142 241 2HD1 ILE 29 2HD1 ILE 29 -3.738 8.792 -6.698 242 3HD1 ILE 29 3HD1 ILE 29 -2.421 7.635 -6.915 243 H ILE 30 H ILE 30 -5.948 8.713 -1.742 244 HA ILE 30 HA ILE 30 -8.572 7.369 -1.275 245 HB ILE 30 HB ILE 30 -7.166 9.427 0.458 246 1HG1 ILE 30 1HG1 ILE 30 -7.791 6.471 0.888 247 2HG1 ILE 30 2HG1 ILE 30 -6.192 7.215 0.750 248 1HG2 ILE 30 1HG2 ILE 30 -9.640 9.767 0.361 249 2HG2 ILE 30 2HG2 ILE 30 -9.876 8.065 0.811 250 3HG2 ILE 30 3HG2 ILE 30 -9.125 9.221 1.936 251 1HD1 ILE 30 1HD1 ILE 30 -6.705 8.536 2.844 252 2HD1 ILE 30 2HD1 ILE 30 -8.185 7.560 3.025 253 3HD1 ILE 30 3HD1 ILE 30 -6.613 6.782 3.076 254 H TYR 31 H TYR 31 -9.660 8.043 -2.993 255 HA TYR 31 HA TYR 31 -10.124 10.899 -3.598 256 1HB TYR 31 1HB TYR 31 -11.484 8.307 -4.462 257 2HB TYR 31 2HB TYR 31 -11.969 9.907 -4.991 258 HD1 TYR 31 HD1 TYR 31 -9.133 7.450 -5.101 259 HD2 TYR 31 HD2 TYR 31 -11.015 10.887 -6.910 260 HE1 TYR 31 HE1 TYR 31 -7.579 7.295 -7.020 261 HE2 TYR 31 HE2 TYR 31 -9.503 10.683 -8.859 262 HH TYR 31 HH TYR 31 -6.961 8.167 -9.057 263 H GLY 32 H GLY 32 -12.608 11.452 -3.451 264 1HA GLY 32 1HA GLY 32 -14.210 10.082 -1.506 265 2HA GLY 32 2HA GLY 32 -13.486 11.541 -0.799 266 H GLY 33 H GLY 33 -14.553 13.433 -1.152 267 1HA GLY 33 1HA GLY 33 -16.932 13.530 -2.880 268 2HA GLY 33 2HA GLY 33 -16.326 14.766 -1.767 269 H LYS 34 H LYS 34 -16.529 16.424 -3.334 270 HA LYS 34 HA LYS 34 -14.997 16.320 -5.821 271 1HB LYS 34 1HB LYS 34 -17.237 17.498 -5.483 272 2HB LYS 34 2HB LYS 34 -16.385 18.686 -4.503 273 1HG LYS 34 1HG LYS 34 -16.552 19.636 -6.650 274 2HG LYS 34 2HG LYS 34 -14.873 19.082 -6.569 275 1HD LYS 34 1HD LYS 34 -15.505 17.043 -7.876 276 2HD LYS 34 2HD LYS 34 -17.199 17.578 -7.876 277 1HE LYS 34 1HE LYS 34 -16.532 19.630 -9.126 278 2HE LYS 34 2HE LYS 34 -14.849 19.061 -9.139 279 1HZ LYS 34 1HZ LYS 34 -15.580 17.149 -10.378 280 2HZ LYS 34 2HZ LYS 34 -17.139 17.687 -10.366 281 3HZ LYS 34 3HZ LYS 34 -15.978 18.540 -11.165 282 H GLU 35 H GLU 35 -13.081 15.675 -4.465 283 HA GLU 35 HA GLU 35 -11.509 18.005 -3.461 284 1HB GLU 35 1HB GLU 35 -12.638 16.769 -1.598 285 2HB GLU 35 2HB GLU 35 -11.854 15.270 -2.139 286 1HG GLU 35 1HG GLU 35 -9.617 16.342 -1.720 287 2HG GLU 35 2HG GLU 35 -10.451 17.787 -1.120 288 H ALA 36 H ALA 36 -9.297 17.828 -3.858 289 HA ALA 36 HA ALA 36 -8.423 16.180 -6.001 290 1HB ALA 36 1HB ALA 36 -7.417 18.351 -5.541 291 2HB ALA 36 2HB ALA 36 -6.827 17.777 -3.966 292 3HB ALA 36 3HB ALA 36 -6.184 17.077 -5.467 293 HA PRO 37 HA PRO 37 -7.971 12.593 -3.405 294 1HB PRO 37 1HB PRO 37 -6.819 10.815 -5.116 295 2HB PRO 37 2HB PRO 37 -8.481 11.426 -5.321 296 1HG PRO 37 1HG PRO 37 -5.970 12.462 -6.671 297 2HG PRO 37 2HG PRO 37 -7.502 11.978 -7.454 298 1HD PRO 37 1HD PRO 37 -6.989 14.569 -6.845 299 2HD PRO 37 2HD PRO 37 -8.633 13.892 -6.620 300 H LEU 38 H LEU 38 -6.524 12.062 -1.843 301 HA LEU 38 HA LEU 38 -3.726 13.012 -2.118 302 1HB LEU 38 1HB LEU 38 -3.624 13.017 0.272 303 2HB LEU 38 2HB LEU 38 -5.017 13.913 -0.319 304 HG LEU 38 HG LEU 38 -6.391 11.736 0.202 305 1HD1 LEU 38 1HD1 LEU 38 -3.899 11.311 1.929 306 2HD1 LEU 38 2HD1 LEU 38 -5.461 10.525 2.205 307 3HD1 LEU 38 3HD1 LEU 38 -4.558 10.171 0.741 308 1HD2 LEU 38 1HD2 LEU 38 -5.217 13.505 2.381 309 2HD2 LEU 38 2HD2 LEU 38 -6.641 13.867 1.381 310 3HD2 LEU 38 3HD2 LEU 38 -6.688 12.523 2.534 311 H ALA 39 H ALA 39 -1.965 11.709 -1.322 312 HA ALA 39 HA ALA 39 -2.302 8.856 -2.058 313 1HB ALA 39 1HB ALA 39 -0.624 10.172 -3.266 314 2HB ALA 39 2HB ALA 39 0.186 10.567 -1.731 315 3HB ALA 39 3HB ALA 39 0.130 8.884 -2.303 316 H ILE 40 H ILE 40 -1.457 7.192 -0.777 317 HA ILE 40 HA ILE 40 -0.464 7.764 1.935 318 HB ILE 40 HB ILE 40 -1.906 5.937 2.840 319 1HG1 ILE 40 1HG1 ILE 40 -3.581 6.277 0.312 320 2HG1 ILE 40 2HG1 ILE 40 -2.468 4.929 0.600 321 1HG2 ILE 40 1HG2 ILE 40 -2.413 8.372 3.159 322 2HG2 ILE 40 2HG2 ILE 40 -3.538 8.274 1.788 323 3HG2 ILE 40 3HG2 ILE 40 -3.830 7.326 3.257 324 1HD1 ILE 40 1HD1 ILE 40 -3.749 4.328 2.653 325 2HD1 ILE 40 2HD1 ILE 40 -4.924 5.591 2.249 326 3HD1 ILE 40 3HD1 ILE 40 -4.694 4.223 1.154 327 H GLU 41 H GLU 41 0.588 5.879 2.880 328 HA GLU 41 HA GLU 41 1.966 4.198 0.884 329 1HB GLU 41 1HB GLU 41 2.857 5.372 3.205 330 2HB GLU 41 2HB GLU 41 2.398 3.796 3.824 331 1HG GLU 41 1HG GLU 41 4.307 4.356 1.504 332 2HG GLU 41 2HG GLU 41 4.761 3.866 3.138 333 H LEU 42 H LEU 42 1.620 1.914 0.792 334 HA LEU 42 HA LEU 42 -0.193 0.687 2.735 335 1HB LEU 42 1HB LEU 42 -1.223 1.512 0.228 336 2HB LEU 42 2HB LEU 42 -0.898 -0.206 0.033 337 HG LEU 42 HG LEU 42 -2.213 -0.642 2.153 338 1HD1 LEU 42 1HD1 LEU 42 -2.726 2.351 1.886 339 2HD1 LEU 42 2HD1 LEU 42 -3.833 1.284 2.759 340 3HD1 LEU 42 3HD1 LEU 42 -2.178 1.470 3.333 341 1HD2 LEU 42 1HD2 LEU 42 -3.232 -0.855 -0.100 342 2HD2 LEU 42 2HD2 LEU 42 -4.405 -0.335 1.120 343 3HD2 LEU 42 3HD2 LEU 42 -3.740 0.841 -0.026 344 H ASP 43 H ASP 43 0.533 -1.178 3.369 345 HA ASP 43 HA ASP 43 2.963 -2.242 2.112 346 1HB ASP 43 1HB ASP 43 2.826 -1.608 4.538 347 2HB ASP 43 2HB ASP 43 1.645 -2.901 4.775 348 H HIS 44 H HIS 44 2.995 -4.083 0.941 349 HA HIS 44 HA HIS 44 0.477 -5.452 0.410 350 1HB HIS 44 1HB HIS 44 2.051 -4.747 -1.356 351 2HB HIS 44 2HB HIS 44 3.238 -5.889 -0.744 352 HD1 HIS 44 HD1 HIS 44 2.099 -8.580 -0.690 353 HD2 HIS 44 HD2 HIS 44 0.610 -5.639 -3.286 354 HE1 HIS 44 HE1 HIS 44 0.807 -9.819 -2.531 355 H ASP 45 H ASP 45 0.420 -6.143 2.727 356 HA ASP 45 HA ASP 45 0.930 -9.016 2.700 357 1HB ASP 45 1HB ASP 45 2.131 -7.216 4.856 358 2HB ASP 45 2HB ASP 45 1.709 -8.908 5.155 359 H LYS 46 H LYS 46 -0.015 -6.308 4.857 360 HA LYS 46 HA LYS 46 -2.294 -7.578 5.988 361 1HB LYS 46 1HB LYS 46 -1.547 -4.646 5.629 362 2HB LYS 46 2HB LYS 46 -2.986 -5.200 6.509 363 1HG LYS 46 1HG LYS 46 -1.588 -6.519 8.038 364 2HG LYS 46 2HG LYS 46 -0.118 -5.992 7.188 365 1HD LYS 46 1HD LYS 46 -0.587 -3.653 7.733 366 2HD LYS 46 2HD LYS 46 -2.100 -4.099 8.540 367 1HE LYS 46 1HE LYS 46 0.687 -5.013 9.402 368 2HE LYS 46 2HE LYS 46 -0.215 -3.667 10.120 369 1HZ LYS 46 1HZ LYS 46 -1.925 -5.218 10.743 370 2HZ LYS 46 2HZ LYS 46 -1.068 -6.475 10.110 371 3HZ LYS 46 3HZ LYS 46 -0.473 -5.640 11.396 372 H VAL 47 H VAL 47 -2.259 -4.954 3.468 373 HA VAL 47 HA VAL 47 -4.989 -5.198 2.959 374 HB VAL 47 HB VAL 47 -3.587 -3.247 2.423 375 1HG1 VAL 47 1HG1 VAL 47 -1.731 -4.516 1.260 376 2HG1 VAL 47 2HG1 VAL 47 -2.810 -4.719 -0.130 377 3HG1 VAL 47 3HG1 VAL 47 -2.333 -3.093 0.396 378 1HG2 VAL 47 1HG2 VAL 47 -5.887 -3.480 1.547 379 2HG2 VAL 47 2HG2 VAL 47 -4.846 -2.598 0.419 380 3HG2 VAL 47 3HG2 VAL 47 -5.263 -4.284 0.091 381 H MET 48 H MET 48 -2.293 -7.002 1.499 382 HA MET 48 HA MET 48 -3.690 -8.184 -0.654 383 1HB MET 48 1HB MET 48 -1.252 -8.286 -0.420 384 2HB MET 48 2HB MET 48 -1.404 -9.262 1.052 385 1HG MET 48 1HG MET 48 -0.874 -10.706 -0.842 386 2HG MET 48 2HG MET 48 -2.472 -11.070 -0.223 387 1HE MET 48 1HE MET 48 -2.401 -12.530 -2.567 388 2HE MET 48 2HE MET 48 -3.998 -12.012 -1.989 389 3HE MET 48 3HE MET 48 -3.597 -11.879 -3.714 390 H ASN 49 H ASN 49 -3.604 -8.991 2.828 391 HA ASN 49 HA ASN 49 -5.179 -11.433 2.492 392 1HB ASN 49 1HB ASN 49 -4.468 -9.852 4.991 393 2HB ASN 49 2HB ASN 49 -5.229 -11.447 4.939 394 1HD2 ASN 49 2HD2 ASN 49 -2.796 -10.923 6.314 395 2HD2 ASN 49 1HD2 ASN 49 -1.521 -11.815 5.512 396 H MET 50 H MET 50 -5.764 -8.052 3.591 397 HA MET 50 HA MET 50 -8.437 -8.384 4.398 398 1HB MET 50 1HB MET 50 -7.136 -5.920 3.179 399 2HB MET 50 2HB MET 50 -8.673 -5.946 4.050 400 1HG MET 50 1HG MET 50 -5.989 -6.655 5.274 401 2HG MET 50 2HG MET 50 -6.826 -5.115 5.426 402 1HE MET 50 1HE MET 50 -6.471 -5.233 8.014 403 2HE MET 50 2HE MET 50 -6.988 -6.595 9.035 404 3HE MET 50 3HE MET 50 -5.663 -6.811 7.866 405 H GLN 51 H GLN 51 -7.154 -7.533 1.137 406 HA GLN 51 HA GLN 51 -9.609 -6.910 -0.003 407 1HB GLN 51 1HB GLN 51 -8.604 -6.998 -2.151 408 2HB GLN 51 2HB GLN 51 -7.549 -6.254 -0.963 409 1HG GLN 51 1HG GLN 51 -6.038 -7.499 -2.119 410 2HG GLN 51 2HG GLN 51 -6.411 -8.579 -0.777 411 1HE2 GLN 51 2HE2 GLN 51 -5.230 -9.810 -2.769 412 2HE2 GLN 51 1HE2 GLN 51 -6.328 -10.679 -3.820 413 H ALA 52 H ALA 52 -7.971 -10.087 -0.150 414 HA ALA 52 HA ALA 52 -8.692 -12.166 -0.493 415 1HB ALA 52 1HB ALA 52 -9.820 -11.760 1.618 416 2HB ALA 52 2HB ALA 52 -11.263 -11.152 0.789 417 3HB ALA 52 3HB ALA 52 -10.778 -12.848 0.596 418 H LYS 53 H LYS 53 -11.803 -10.536 -1.192 419 HA LYS 53 HA LYS 53 -11.653 -11.195 -4.023 420 1HB LYS 53 1HB LYS 53 -12.584 -13.237 -2.737 421 2HB LYS 53 2HB LYS 53 -13.974 -12.263 -2.351 422 1HG LYS 53 1HG LYS 53 -14.541 -13.595 -4.249 423 2HG LYS 53 2HG LYS 53 -14.363 -11.959 -4.860 424 1HD LYS 53 1HD LYS 53 -13.381 -13.630 -6.365 425 2HD LYS 53 2HD LYS 53 -12.183 -12.464 -5.820 426 1HE LYS 53 1HE LYS 53 -11.340 -14.806 -5.897 427 2HE LYS 53 2HE LYS 53 -11.193 -14.086 -4.293 428 1HZ LYS 53 1HZ LYS 53 -13.322 -15.922 -5.160 429 2HZ LYS 53 2HZ LYS 53 -12.033 -16.312 -4.208 430 3HZ LYS 53 3HZ LYS 53 -13.174 -15.263 -3.655 431 H ALA 54 H ALA 54 -14.879 -10.731 -3.216 432 HA ALA 54 HA ALA 54 -14.748 -7.862 -3.862 433 1HB ALA 54 1HB ALA 54 -17.051 -9.841 -3.714 434 2HB ALA 54 2HB ALA 54 -17.169 -8.155 -4.253 435 3HB ALA 54 3HB ALA 54 -16.199 -9.315 -5.185 436 H GLU 55 H GLU 55 -15.251 -9.930 -1.111 437 HA GLU 55 HA GLU 55 -17.136 -8.693 0.405 438 1HB GLU 55 1HB GLU 55 -15.872 -10.838 0.860 439 2HB GLU 55 2HB GLU 55 -14.529 -9.859 1.467 440 1HG GLU 55 1HG GLU 55 -15.863 -10.649 3.329 441 2HG GLU 55 2HG GLU 55 -16.086 -8.903 3.210 442 H PHE 56 H PHE 56 -13.739 -7.787 0.102 443 HA PHE 56 HA PHE 56 -13.149 -5.921 1.927 444 1HB PHE 56 1HB PHE 56 -11.851 -6.723 -0.026 445 2HB PHE 56 2HB PHE 56 -12.727 -5.635 -1.078 446 HD1 PHE 56 HD1 PHE 56 -10.613 -5.670 2.051 447 HD2 PHE 56 HD2 PHE 56 -11.780 -3.491 -1.477 448 HE1 PHE 56 HE1 PHE 56 -8.675 -4.145 2.348 449 HE2 PHE 56 HE2 PHE 56 -9.864 -1.938 -1.144 450 HZ PHE 56 HZ PHE 56 -8.282 -2.304 0.733 451 H TYR 57 H TYR 57 -14.830 -4.998 -1.135 452 HA TYR 57 HA TYR 57 -15.520 -2.364 -0.034 453 1HB TYR 57 1HB TYR 57 -16.431 -1.987 -2.318 454 2HB TYR 57 2HB TYR 57 -14.717 -2.349 -2.204 455 HD1 TYR 57 HD1 TYR 57 -18.016 -3.870 -3.129 456 HD2 TYR 57 HD2 TYR 57 -13.724 -4.123 -3.367 457 HE1 TYR 57 HE1 TYR 57 -18.211 -5.459 -5.023 458 HE2 TYR 57 HE2 TYR 57 -13.915 -5.639 -5.317 459 HH TYR 57 HH TYR 57 -15.351 -6.604 -6.844 460 H SER 58 H SER 58 -17.046 -5.431 0.058 461 HA SER 58 HA SER 58 -19.740 -4.574 -0.431 462 1HB SER 58 1HB SER 58 -18.739 -6.996 1.112 463 2HB SER 58 2HB SER 58 -20.365 -6.744 0.466 464 HG SER 58 HG SER 58 -17.963 -6.885 -1.056 465 H GLU 59 H GLU 59 -17.902 -5.214 2.611 466 HA GLU 59 HA GLU 59 -20.223 -4.316 4.182 467 1HB GLU 59 1HB GLU 59 -19.141 -5.414 6.029 468 2HB GLU 59 2HB GLU 59 -19.226 -6.480 4.625 469 1HG GLU 59 1HG GLU 59 -16.845 -6.095 4.137 470 2HG GLU 59 2HG GLU 59 -16.748 -4.898 5.437 471 H VAL 60 H VAL 60 -17.973 -2.429 2.869 472 HA VAL 60 HA VAL 60 -17.121 -0.434 3.308 473 HB VAL 60 HB VAL 60 -19.295 -0.393 5.026 474 1HG1 VAL 60 1HG1 VAL 60 -17.791 -0.854 7.038 475 2HG1 VAL 60 2HG1 VAL 60 -16.951 0.662 6.675 476 3HG1 VAL 60 3HG1 VAL 60 -18.668 0.676 7.088 477 1HG2 VAL 60 1HG2 VAL 60 -18.594 1.374 3.444 478 2HG2 VAL 60 2HG2 VAL 60 -19.058 1.999 5.032 479 3HG2 VAL 60 3HG2 VAL 60 -17.346 1.885 4.602 480 H LEU 61 H LEU 61 -15.313 0.637 4.525 481 HA LEU 61 HA LEU 61 -13.753 -1.264 6.170 482 1HB LEU 61 1HB LEU 61 -12.358 0.287 3.989 483 2HB LEU 61 2HB LEU 61 -11.810 -1.084 4.938 484 HG LEU 61 HG LEU 61 -13.787 -2.348 3.651 485 1HD1 LEU 61 1HD1 LEU 61 -12.939 -0.153 1.689 486 2HD1 LEU 61 2HD1 LEU 61 -13.935 -1.546 1.306 487 3HD1 LEU 61 3HD1 LEU 61 -14.565 -0.306 2.389 488 1HD2 LEU 61 1HD2 LEU 61 -11.070 -1.631 2.492 489 2HD2 LEU 61 2HD2 LEU 61 -11.451 -2.997 3.574 490 3HD2 LEU 61 3HD2 LEU 61 -12.138 -2.938 1.941 491 H THR 62 H THR 62 -11.866 -0.293 7.131 492 HA THR 62 HA THR 62 -12.059 2.624 7.716 493 HB THR 62 HB THR 62 -11.410 0.333 9.629 494 HG1 THR 62 HG1 THR 62 -13.403 0.822 10.508 495 1HG2 THR 62 1HG2 THR 62 -11.723 3.338 10.036 496 2HG2 THR 62 2HG2 THR 62 -11.583 2.146 11.350 497 3HG2 THR 62 3HG2 THR 62 -10.227 2.405 10.241 498 H ILE 63 H ILE 63 -10.241 3.583 6.970 499 HA ILE 63 HA ILE 63 -7.675 2.073 6.888 500 HB ILE 63 HB ILE 63 -8.287 4.811 5.744 501 1HG1 ILE 63 1HG1 ILE 63 -8.261 2.138 4.272 502 2HG1 ILE 63 2HG1 ILE 63 -9.688 3.138 4.597 503 1HG2 ILE 63 1HG2 ILE 63 -5.879 4.199 6.289 504 2HG2 ILE 63 2HG2 ILE 63 -6.028 2.842 5.164 505 3HG2 ILE 63 3HG2 ILE 63 -6.150 4.513 4.584 506 1HD1 ILE 63 1HD1 ILE 63 -8.614 5.027 3.338 507 2HD1 ILE 63 2HD1 ILE 63 -7.333 3.896 2.831 508 3HD1 ILE 63 3HD1 ILE 63 -9.006 3.603 2.367 509 H VAL 64 H VAL 64 -6.268 2.416 8.509 510 HA VAL 64 HA VAL 64 -6.645 4.647 10.417 511 HB VAL 64 HB VAL 64 -4.603 2.391 10.352 512 1HG1 VAL 64 1HG1 VAL 64 -5.342 4.407 12.521 513 2HG1 VAL 64 2HG1 VAL 64 -4.239 3.030 12.724 514 3HG1 VAL 64 3HG1 VAL 64 -3.804 4.349 11.634 515 1HG2 VAL 64 1HG2 VAL 64 -7.192 2.703 11.929 516 2HG2 VAL 64 2HG2 VAL 64 -6.867 1.486 10.674 517 3HG2 VAL 64 3HG2 VAL 64 -5.971 1.441 12.197 518 H VAL 65 H VAL 65 -6.271 6.375 8.932 519 HA VAL 65 HA VAL 65 -3.644 6.586 7.582 520 HB VAL 65 HB VAL 65 -5.959 8.565 7.712 521 1HG1 VAL 65 1HG1 VAL 65 -3.486 8.417 5.918 522 2HG1 VAL 65 2HG1 VAL 65 -4.817 9.580 5.754 523 3HG1 VAL 65 3HG1 VAL 65 -3.775 9.633 7.178 524 1HG2 VAL 65 1HG2 VAL 65 -5.193 6.545 5.566 525 2HG2 VAL 65 2HG2 VAL 65 -6.675 6.525 6.557 526 3HG2 VAL 65 3HG2 VAL 65 -6.412 7.822 5.389 527 H ASP 66 H ASP 66 -2.350 6.479 9.473 528 HA ASP 66 HA ASP 66 -1.283 7.175 11.323 529 1HB ASP 66 1HB ASP 66 -0.478 8.857 9.735 530 2HB ASP 66 2HB ASP 66 -1.836 9.922 10.126 531 H GLY 67 H GLY 67 -3.249 6.250 12.392 532 1HA GLY 67 1HA GLY 67 -4.439 6.352 14.367 533 2HA GLY 67 2HA GLY 67 -4.264 8.109 14.427 534 H LYS 68 H LYS 68 -5.363 8.969 12.040 535 HA LYS 68 HA LYS 68 -8.070 8.996 12.818 536 1HB LYS 68 1HB LYS 68 -6.868 9.917 10.180 537 2HB LYS 68 2HB LYS 68 -8.469 10.331 10.819 538 1HG LYS 68 1HG LYS 68 -7.186 11.187 12.923 539 2HG LYS 68 2HG LYS 68 -5.750 11.166 11.887 540 1HD LYS 68 1HD LYS 68 -8.354 12.686 11.384 541 2HD LYS 68 2HD LYS 68 -6.836 13.384 11.971 542 1HE LYS 68 1HE LYS 68 -5.714 12.745 9.843 543 2HE LYS 68 2HE LYS 68 -7.243 12.075 9.240 544 1HZ LYS 68 1HZ LYS 68 -8.207 14.242 9.429 545 2HZ LYS 68 2HZ LYS 68 -6.787 14.874 9.980 546 3HZ LYS 68 3HZ LYS 68 -6.884 14.276 8.447 547 H GLU 69 H GLU 69 -9.674 7.654 12.485 548 HA GLU 69 HA GLU 69 -9.518 5.365 10.704 549 1HB GLU 69 1HB GLU 69 -11.652 6.437 12.598 550 2HB GLU 69 2HB GLU 69 -11.794 4.933 11.681 551 1HG GLU 69 1HG GLU 69 -9.742 4.063 12.780 552 2HG GLU 69 2HG GLU 69 -9.640 5.549 13.745 553 H ILE 70 H ILE 70 -9.370 6.505 8.638 554 HA ILE 70 HA ILE 70 -11.649 8.100 7.718 555 HB ILE 70 HB ILE 70 -9.322 6.912 6.169 556 1HG1 ILE 70 1HG1 ILE 70 -8.432 8.425 7.834 557 2HG1 ILE 70 2HG1 ILE 70 -8.327 9.143 6.231 558 1HG2 ILE 70 1HG2 ILE 70 -11.401 9.010 5.424 559 2HG2 ILE 70 2HG2 ILE 70 -9.920 8.686 4.500 560 3HG2 ILE 70 3HG2 ILE 70 -11.148 7.429 4.674 561 1HD1 ILE 70 1HD1 ILE 70 -10.323 10.557 6.737 562 2HD1 ILE 70 2HD1 ILE 70 -10.375 9.858 8.377 563 3HD1 ILE 70 3HD1 ILE 70 -8.980 10.816 7.860 564 H LYS 71 H LYS 71 -13.541 7.065 7.526 565 HA LYS 71 HA LYS 71 -13.765 4.265 6.815 566 1HB LYS 71 1HB LYS 71 -15.649 6.497 7.520 567 2HB LYS 71 2HB LYS 71 -16.280 5.174 6.537 568 1HG LYS 71 1HG LYS 71 -16.705 4.723 8.854 569 2HG LYS 71 2HG LYS 71 -15.625 3.505 8.161 570 1HD LYS 71 1HD LYS 71 -13.677 4.589 9.215 571 2HD LYS 71 2HD LYS 71 -14.714 5.856 9.893 572 1HE LYS 71 1HE LYS 71 -15.001 2.865 10.479 573 2HE LYS 71 2HE LYS 71 -14.097 3.996 11.499 574 1HZ LYS 71 1HZ LYS 71 -16.119 5.212 11.838 575 2HZ LYS 71 2HZ LYS 71 -16.966 4.148 10.901 576 3HZ LYS 71 3HZ LYS 71 -16.285 3.642 12.312 577 H VAL 72 H VAL 72 -13.979 3.395 4.859 578 HA VAL 72 HA VAL 72 -14.618 5.061 2.487 579 HB VAL 72 HB VAL 72 -12.788 4.019 1.238 580 1HG1 VAL 72 1HG1 VAL 72 -12.285 6.171 2.399 581 2HG1 VAL 72 2HG1 VAL 72 -11.667 5.251 3.787 582 3HG1 VAL 72 3HG1 VAL 72 -10.868 5.144 2.216 583 1HG2 VAL 72 1HG2 VAL 72 -12.003 2.712 3.878 584 2HG2 VAL 72 2HG2 VAL 72 -12.611 1.904 2.415 585 3HG2 VAL 72 3HG2 VAL 72 -11.045 2.693 2.388 586 H LYS 73 H LYS 73 -15.339 3.762 0.655 587 HA LYS 73 HA LYS 73 -16.152 0.966 1.343 588 1HB LYS 73 1HB LYS 73 -18.013 2.718 1.191 589 2HB LYS 73 2HB LYS 73 -17.721 2.697 -0.563 590 1HG LYS 73 1HG LYS 73 -18.062 0.155 -0.441 591 2HG LYS 73 2HG LYS 73 -18.506 0.350 1.249 592 1HD LYS 73 1HD LYS 73 -19.956 1.490 -1.187 593 2HD LYS 73 2HD LYS 73 -20.419 0.090 -0.220 594 1HE LYS 73 1HE LYS 73 -21.835 1.716 0.604 595 2HE LYS 73 2HE LYS 73 -20.535 1.720 1.804 596 1HZ LYS 73 1HZ LYS 73 -20.859 3.591 -0.449 597 2HZ LYS 73 2HZ LYS 73 -21.192 3.917 1.131 598 3HZ LYS 73 3HZ LYS 73 -19.639 3.652 0.653 599 H ALA 74 H ALA 74 -13.946 2.724 -0.324 600 HA ALA 74 HA ALA 74 -12.564 2.326 -1.969 601 1HB ALA 74 1HB ALA 74 -12.558 0.015 -0.897 602 2HB ALA 74 2HB ALA 74 -13.559 -0.496 -2.275 603 3HB ALA 74 3HB ALA 74 -11.934 0.156 -2.545 604 H GLN 75 H GLN 75 -12.490 1.138 -4.411 605 HA GLN 75 HA GLN 75 -14.960 1.745 -5.863 606 1HB GLN 75 1HB GLN 75 -13.633 3.888 -5.345 607 2HB GLN 75 2HB GLN 75 -12.479 3.377 -6.549 608 1HG GLN 75 1HG GLN 75 -15.484 3.823 -6.941 609 2HG GLN 75 2HG GLN 75 -14.224 4.994 -7.331 610 1HE2 GLN 75 2HE2 GLN 75 -12.418 4.096 -8.884 611 2HE2 GLN 75 1HE2 GLN 75 -13.062 3.265 -10.280 612 H ASP 76 H ASP 76 -12.180 2.009 -7.884 613 HA ASP 76 HA ASP 76 -12.709 -0.695 -8.913 614 1HB ASP 76 1HB ASP 76 -12.650 1.146 -10.498 615 2HB ASP 76 2HB ASP 76 -11.024 1.605 -9.964 616 H VAL 77 H VAL 77 -11.857 -1.484 -6.773 617 HA VAL 77 HA VAL 77 -9.089 -1.313 -6.150 618 HB VAL 77 HB VAL 77 -9.479 -3.238 -4.690 619 1HG1 VAL 77 1HG1 VAL 77 -10.112 -0.903 -4.051 620 2HG1 VAL 77 2HG1 VAL 77 -11.771 -1.226 -4.588 621 3HG1 VAL 77 3HG1 VAL 77 -11.083 -2.138 -3.237 622 1HG2 VAL 77 1HG2 VAL 77 -12.320 -3.342 -5.808 623 2HG2 VAL 77 2HG2 VAL 77 -11.101 -4.620 -5.975 624 3HG2 VAL 77 3HG2 VAL 77 -11.699 -4.201 -4.384 625 H GLN 78 H GLN 78 -7.447 -1.955 -7.409 626 HA GLN 78 HA GLN 78 -7.995 -3.809 -9.601 627 1HB GLN 78 1HB GLN 78 -6.745 -1.534 -9.671 628 2HB GLN 78 2HB GLN 78 -5.382 -2.395 -8.985 629 1HG GLN 78 1HG GLN 78 -5.179 -2.281 -11.418 630 2HG GLN 78 2HG GLN 78 -5.415 -3.966 -10.934 631 1HE2 GLN 78 2HE2 GLN 78 -7.665 -1.155 -11.528 632 2HE2 GLN 78 1HE2 GLN 78 -8.691 -2.018 -12.641 633 H ARG 79 H ARG 79 -8.391 -5.298 -7.585 634 HA ARG 79 HA ARG 79 -5.953 -6.493 -6.480 635 1HB ARG 79 1HB ARG 79 -7.379 -7.453 -4.812 636 2HB ARG 79 2HB ARG 79 -7.711 -5.737 -4.990 637 1HG ARG 79 1HG ARG 79 -9.835 -6.606 -4.772 638 2HG ARG 79 2HG ARG 79 -9.691 -6.440 -6.519 639 1HD ARG 79 1HD ARG 79 -8.752 -9.073 -5.844 640 2HD ARG 79 2HD ARG 79 -10.195 -8.809 -4.887 641 HE ARG 79 HE ARG 79 -9.942 -8.998 -7.807 642 1HH1 ARG 79 1HH2 ARG 79 -12.121 -8.053 -5.137 643 2HH1 ARG 79 2HH2 ARG 79 -13.538 -8.068 -6.149 644 1HH2 ARG 79 1HH1 ARG 79 -11.836 -9.090 -9.069 645 2HH2 ARG 79 2HH1 ARG 79 -13.385 -8.685 -8.377 646 H HIS 80 H HIS 80 -5.330 -8.561 -6.671 647 HA HIS 80 HA HIS 80 -6.617 -10.167 -8.824 648 1HB HIS 80 1HB HIS 80 -4.443 -9.038 -9.339 649 2HB HIS 80 2HB HIS 80 -3.669 -10.073 -8.139 650 HD1 HIS 80 HD1 HIS 80 -5.405 -12.760 -9.071 651 HD2 HIS 80 HD2 HIS 80 -3.307 -10.022 -11.485 652 HE1 HIS 80 HE1 HIS 80 -4.952 -13.934 -11.286 653 HA PRO 81 HA PRO 81 -6.651 -12.938 -5.140 654 1HB PRO 81 1HB PRO 81 -8.712 -14.551 -5.839 655 2HB PRO 81 2HB PRO 81 -8.984 -12.863 -5.319 656 1HG PRO 81 1HG PRO 81 -8.804 -13.904 -8.155 657 2HG PRO 81 2HG PRO 81 -10.084 -12.873 -7.453 658 1HD PRO 81 1HD PRO 81 -7.960 -11.897 -8.875 659 2HD PRO 81 2HD PRO 81 -8.683 -10.971 -7.524 660 H TYR 82 H TYR 82 -6.573 -15.436 -5.091 661 HA TYR 82 HA TYR 82 -5.703 -17.405 -5.634 662 1HB TYR 82 1HB TYR 82 -5.295 -16.624 -8.529 663 2HB TYR 82 2HB TYR 82 -5.496 -18.216 -7.831 664 HD1 TYR 82 HD1 TYR 82 -7.870 -18.291 -6.305 665 HD2 TYR 82 HD2 TYR 82 -7.099 -15.960 -9.854 666 HE1 TYR 82 HE1 TYR 82 -10.301 -18.129 -6.731 667 HE2 TYR 82 HE2 TYR 82 -9.530 -15.828 -10.291 668 HH TYR 82 HH TYR 82 -11.951 -17.372 -8.155 669 H LYS 83 H LYS 83 -3.878 -15.099 -7.719 670 HA LYS 83 HA LYS 83 -1.358 -16.065 -6.482 671 1HB LYS 83 1HB LYS 83 -0.231 -15.030 -8.404 672 2HB LYS 83 2HB LYS 83 -1.307 -16.373 -8.809 673 1HG LYS 83 1HG LYS 83 -2.977 -14.882 -9.716 674 2HG LYS 83 2HG LYS 83 -2.142 -13.454 -9.087 675 1HD LYS 83 1HD LYS 83 -1.731 -13.613 -11.441 676 2HD LYS 83 2HD LYS 83 -0.221 -13.869 -10.560 677 1HE LYS 83 1HE LYS 83 -0.381 -16.301 -10.940 678 2HE LYS 83 2HE LYS 83 -1.979 -16.102 -11.689 679 1HZ LYS 83 1HZ LYS 83 0.544 -15.000 -12.710 680 2HZ LYS 83 2HZ LYS 83 -0.243 -16.321 -13.300 681 3HZ LYS 83 3HZ LYS 83 -0.937 -14.831 -13.415 682 HA PRO 84 HA PRO 84 -1.206 -12.011 -4.530 683 1HB PRO 84 1HB PRO 84 1.296 -12.065 -3.460 684 2HB PRO 84 2HB PRO 84 -0.024 -13.104 -2.857 685 1HG PRO 84 1HG PRO 84 2.175 -13.862 -4.794 686 2HG PRO 84 2HG PRO 84 1.620 -14.755 -3.352 687 1HD PRO 84 1HD PRO 84 0.753 -15.333 -5.892 688 2HD PRO 84 2HD PRO 84 -0.305 -15.524 -4.459 689 H LYS 85 H LYS 85 -1.267 -10.420 -6.039 690 HA LYS 85 HA LYS 85 1.313 -9.507 -7.151 691 1HB LYS 85 1HB LYS 85 -1.159 -10.226 -8.724 692 2HB LYS 85 2HB LYS 85 -0.242 -8.807 -9.231 693 1HG LYS 85 1HG LYS 85 1.063 -11.528 -8.856 694 2HG LYS 85 2HG LYS 85 0.371 -10.961 -10.384 695 1HD LYS 85 1HD LYS 85 1.864 -8.989 -10.373 696 2HD LYS 85 2HD LYS 85 2.614 -9.543 -8.867 697 1HE LYS 85 1HE LYS 85 3.346 -11.629 -9.991 698 2HE LYS 85 2HE LYS 85 2.640 -11.045 -11.513 699 1HZ LYS 85 1HZ LYS 85 4.137 -9.183 -11.410 700 2HZ LYS 85 2HZ LYS 85 4.788 -9.731 -10.000 701 3HZ LYS 85 3HZ LYS 85 4.974 -10.602 -11.385 702 H LEU 86 H LEU 86 -2.094 -8.439 -7.425 703 HA LEU 86 HA LEU 86 -3.105 -6.519 -6.963 704 1HB LEU 86 1HB LEU 86 -2.336 -7.104 -4.646 705 2HB LEU 86 2HB LEU 86 -0.945 -6.042 -4.885 706 HG LEU 86 HG LEU 86 -2.328 -4.072 -4.940 707 1HD1 LEU 86 1HD1 LEU 86 -4.694 -5.971 -4.630 708 2HD1 LEU 86 2HD1 LEU 86 -4.758 -4.205 -4.456 709 3HD1 LEU 86 3HD1 LEU 86 -4.372 -4.902 -6.023 710 1HD2 LEU 86 1HD2 LEU 86 -3.056 -5.990 -2.675 711 2HD2 LEU 86 2HD2 LEU 86 -1.627 -4.942 -2.746 712 3HD2 LEU 86 3HD2 LEU 86 -3.248 -4.232 -2.625 713 H GLN 87 H GLN 87 -2.940 -4.087 -7.214 714 HA GLN 87 HA GLN 87 -0.469 -3.179 -8.624 715 1HB GLN 87 1HB GLN 87 -3.316 -3.133 -9.684 716 2HB GLN 87 2HB GLN 87 -2.019 -2.133 -10.344 717 1HG GLN 87 1HG GLN 87 -1.940 -5.187 -10.268 718 2HG GLN 87 2HG GLN 87 -2.528 -4.221 -11.618 719 1HE2 GLN 87 2HE2 GLN 87 0.387 -5.107 -9.778 720 2HE2 GLN 87 1HE2 GLN 87 1.525 -4.529 -10.981 721 H HIS 88 H HIS 88 -3.781 -2.044 -7.751 722 HA HIS 88 HA HIS 88 -2.683 0.165 -6.180 723 1HB HIS 88 1HB HIS 88 -2.430 0.941 -8.534 724 2HB HIS 88 2HB HIS 88 -4.151 0.642 -8.810 725 HD1 HIS 88 HD1 HIS 88 -5.794 2.567 -8.011 726 HD2 HIS 88 HD2 HIS 88 -1.816 2.925 -6.679 727 HE1 HIS 88 HE1 HIS 88 -5.604 4.838 -6.855 728 H ILE 89 H ILE 89 -4.306 1.321 -5.061 729 HA ILE 89 HA ILE 89 -7.089 0.285 -5.168 730 HB ILE 89 HB ILE 89 -5.439 0.785 -2.662 731 1HG1 ILE 89 1HG1 ILE 89 -4.946 -1.435 -3.689 732 2HG1 ILE 89 2HG1 ILE 89 -5.682 -1.509 -2.094 733 1HG2 ILE 89 1HG2 ILE 89 -8.388 0.181 -3.077 734 2HG2 ILE 89 2HG2 ILE 89 -7.556 -0.044 -1.529 735 3HG2 ILE 89 3HG2 ILE 89 -7.661 1.567 -2.268 736 1HD1 ILE 89 1HD1 ILE 89 -7.877 -2.065 -3.083 737 2HD1 ILE 89 2HD1 ILE 89 -7.167 -1.982 -4.712 738 3HD1 ILE 89 3HD1 ILE 89 -6.633 -3.214 -3.561 739 H ASP 90 H ASP 90 -8.247 1.950 -5.848 740 HA ASP 90 HA ASP 90 -7.578 4.741 -5.102 741 1HB ASP 90 1HB ASP 90 -9.106 5.346 -6.876 742 2HB ASP 90 2HB ASP 90 -7.840 4.280 -7.490 743 H PHE 91 H PHE 91 -8.236 4.337 -2.848 744 HA PHE 91 HA PHE 91 -10.795 3.360 -2.191 745 1HB PHE 91 1HB PHE 91 -8.928 5.183 -0.660 746 2HB PHE 91 2HB PHE 91 -10.409 4.519 0.011 747 HD1 PHE 91 HD1 PHE 91 -6.916 3.964 -0.296 748 HD2 PHE 91 HD2 PHE 91 -10.710 1.920 -0.079 749 HE1 PHE 91 HE1 PHE 91 -5.819 2.025 0.792 750 HE2 PHE 91 HE2 PHE 91 -9.612 0.004 1.040 751 HZ PHE 91 HZ PHE 91 -7.165 0.053 1.480 752 H VAL 92 H VAL 92 -12.743 4.430 -1.575 753 HA VAL 92 HA VAL 92 -12.971 7.350 -2.140 754 HB VAL 92 HB VAL 92 -14.784 5.107 -3.061 755 1HG1 VAL 92 1HG1 VAL 92 -15.463 8.067 -2.764 756 2HG1 VAL 92 2HG1 VAL 92 -16.389 6.913 -3.744 757 3HG1 VAL 92 3HG1 VAL 92 -16.300 6.696 -1.997 758 1HG2 VAL 92 1HG2 VAL 92 -12.941 5.970 -4.581 759 2HG2 VAL 92 2HG2 VAL 92 -14.577 6.233 -5.215 760 3HG2 VAL 92 3HG2 VAL 92 -13.689 7.576 -4.481 761 H ARG 93 H ARG 93 -13.605 8.396 -0.392 762 HA ARG 93 HA ARG 93 -14.159 7.241 2.103 763 1HB ARG 93 1HB ARG 93 -14.824 9.988 1.022 764 2HB ARG 93 2HB ARG 93 -14.977 9.516 2.725 765 1HG ARG 93 1HG ARG 93 -12.577 8.990 2.853 766 2HG ARG 93 2HG ARG 93 -12.379 9.396 1.139 767 1HD ARG 93 1HD ARG 93 -13.284 11.682 1.649 768 2HD ARG 93 2HD ARG 93 -13.193 11.290 3.378 769 HE ARG 93 HE ARG 93 -10.672 10.706 2.526 770 1HH1 ARG 93 1HH2 ARG 93 -12.706 13.599 2.175 771 2HH1 ARG 93 2HH2 ARG 93 -11.365 14.652 1.810 772 1HH2 ARG 93 1HH1 ARG 93 -8.898 12.142 2.108 773 2HH2 ARG 93 2HH1 ARG 93 -9.232 13.821 1.727 774 H ALA 94 H ALA 94 -15.958 6.633 3.184 775 HA ALA 94 HA ALA 94 -18.398 6.129 1.655 776 1HB ALA 94 1HB ALA 94 -17.488 4.455 3.221 777 2HB ALA 94 2HB ALA 94 -17.688 5.597 4.567 778 3HB ALA 94 3HB ALA 94 -19.113 4.976 3.706 Start of MODEL 5 1 H MET 1 H MET 1 -13.894 -0.362 8.646 2 HA MET 1 HA MET 1 -14.459 -1.715 10.618 3 1HB MET 1 1HB MET 1 -14.874 -3.926 8.560 4 2HB MET 1 2HB MET 1 -14.996 -4.091 10.314 5 1HG MET 1 1HG MET 1 -16.851 -2.485 8.507 6 2HG MET 1 2HG MET 1 -17.150 -4.034 9.274 7 1HE MET 1 1HE MET 1 -17.633 -0.268 9.531 8 2HE MET 1 2HE MET 1 -17.664 0.063 11.276 9 3HE MET 1 3HE MET 1 -16.123 -0.259 10.468 10 H PHE 2 H PHE 2 -12.848 -3.339 7.852 11 HA PHE 2 HA PHE 2 -10.816 -4.566 9.352 12 1HB PHE 2 1HB PHE 2 -10.688 -3.662 6.454 13 2HB PHE 2 2HB PHE 2 -9.729 -4.938 7.200 14 HD1 PHE 2 HD1 PHE 2 -12.775 -4.171 5.448 15 HD2 PHE 2 HD2 PHE 2 -11.014 -6.984 8.197 16 HE1 PHE 2 HE1 PHE 2 -14.554 -5.807 4.907 17 HE2 PHE 2 HE2 PHE 2 -12.811 -8.613 7.665 18 HZ PHE 2 HZ PHE 2 -14.588 -8.023 6.035 19 H THR 3 H THR 3 -8.766 -3.943 9.991 20 HA THR 3 HA THR 3 -8.269 -1.039 10.048 21 HB THR 3 HB THR 3 -6.909 -3.292 11.576 22 HG1 THR 3 HG1 THR 3 -9.181 -1.721 12.193 23 1HG2 THR 3 1HG2 THR 3 -5.699 -1.092 11.583 24 2HG2 THR 3 2HG2 THR 3 -7.192 -0.307 12.151 25 3HG2 THR 3 3HG2 THR 3 -6.368 -1.501 13.172 26 H ILE 4 H ILE 4 -7.547 -0.829 7.802 27 HA ILE 4 HA ILE 4 -5.104 -2.243 7.001 28 HB ILE 4 HB ILE 4 -6.851 -0.162 5.652 29 1HG1 ILE 4 1HG1 ILE 4 -7.010 -1.994 3.936 30 2HG1 ILE 4 2HG1 ILE 4 -6.114 -3.063 5.023 31 1HG2 ILE 4 1HG2 ILE 4 -4.206 -1.331 4.697 32 2HG2 ILE 4 2HG2 ILE 4 -5.362 -0.456 3.674 33 3HG2 ILE 4 3HG2 ILE 4 -4.563 0.385 4.998 34 1HD1 ILE 4 1HD1 ILE 4 -8.866 -1.835 5.505 35 2HD1 ILE 4 2HD1 ILE 4 -8.493 -3.512 5.061 36 3HD1 ILE 4 3HD1 ILE 4 -8.024 -2.920 6.640 37 H ASN 5 H ASN 5 -3.157 -1.642 7.647 38 HA ASN 5 HA ASN 5 -2.542 0.779 9.044 39 1HB ASN 5 1HB ASN 5 -0.788 -1.299 7.657 40 2HB ASN 5 2HB ASN 5 -0.167 0.052 8.612 41 1HD2 ASN 5 2HD2 ASN 5 0.603 -0.762 10.507 42 2HD2 ASN 5 1HD2 ASN 5 -0.252 -1.899 11.530 43 H ALA 6 H ALA 6 -1.838 2.752 8.272 44 HA ALA 6 HA ALA 6 -0.663 3.015 5.630 45 1HB ALA 6 1HB ALA 6 -3.100 3.028 5.088 46 2HB ALA 6 2HB ALA 6 -3.332 4.361 6.231 47 3HB ALA 6 3HB ALA 6 -2.343 4.602 4.779 48 H GLU 7 H GLU 7 0.006 5.206 5.198 49 HA GLU 7 HA GLU 7 -0.062 7.195 7.349 50 1HB GLU 7 1HB GLU 7 2.545 6.176 6.104 51 2HB GLU 7 2HB GLU 7 2.387 7.629 7.100 52 1HG GLU 7 1HG GLU 7 1.631 6.237 9.015 53 2HG GLU 7 2HG GLU 7 1.873 4.776 8.036 54 H VAL 8 H VAL 8 0.827 9.295 6.385 55 HA VAL 8 HA VAL 8 -0.092 9.801 3.709 56 HB VAL 8 HB VAL 8 1.124 11.923 3.905 57 1HG1 VAL 8 1HG1 VAL 8 -1.142 11.663 4.873 58 2HG1 VAL 8 2HG1 VAL 8 -0.425 11.236 6.441 59 3HG1 VAL 8 3HG1 VAL 8 -0.169 12.852 5.757 60 1HG2 VAL 8 1HG2 VAL 8 2.133 10.895 6.599 61 2HG2 VAL 8 2HG2 VAL 8 3.128 11.236 5.168 62 3HG2 VAL 8 3HG2 VAL 8 2.281 12.550 5.990 63 H ARG 9 H ARG 9 1.054 9.821 1.760 64 HA ARG 9 HA ARG 9 2.893 7.721 1.553 65 1HB ARG 9 1HB ARG 9 1.321 8.360 -0.197 66 2HB ARG 9 2HB ARG 9 2.218 9.857 -0.497 67 1HG ARG 9 1HG ARG 9 4.189 8.548 -1.186 68 2HG ARG 9 2HG ARG 9 3.387 7.038 -0.713 69 1HD ARG 9 1HD ARG 9 3.316 7.301 -3.118 70 2HD ARG 9 2HD ARG 9 1.673 7.399 -2.445 71 HE ARG 9 HE ARG 9 2.781 10.021 -2.641 72 1HH1 ARG 9 1HH2 ARG 9 1.602 7.420 -4.749 73 2HH1 ARG 9 2HH2 ARG 9 1.113 8.501 -6.027 74 1HH2 ARG 9 1HH1 ARG 9 2.137 11.433 -4.327 75 2HH2 ARG 9 2HH1 ARG 9 1.424 10.796 -5.787 76 H LYS 10 H LYS 10 4.856 7.855 2.537 77 HA LYS 10 HA LYS 10 6.926 9.582 1.484 78 1HB LYS 10 1HB LYS 10 5.711 11.114 3.089 79 2HB LYS 10 2HB LYS 10 6.043 9.944 4.375 80 1HG LYS 10 1HG LYS 10 8.527 10.264 3.907 81 2HG LYS 10 2HG LYS 10 8.079 11.425 2.658 82 1HD LYS 10 1HD LYS 10 8.728 12.637 4.635 83 2HD LYS 10 2HD LYS 10 7.006 12.881 4.331 84 1HE LYS 10 1HE LYS 10 7.497 12.572 6.730 85 2HE LYS 10 2HE LYS 10 6.417 11.311 6.132 86 1HZ LYS 10 1HZ LYS 10 9.318 11.035 6.516 87 2HZ LYS 10 2HZ LYS 10 8.154 10.454 7.528 88 3HZ LYS 10 3HZ LYS 10 8.295 9.845 6.006 89 H GLU 11 H GLU 11 8.727 8.264 1.519 90 HA GLU 11 HA GLU 11 9.395 6.880 3.985 91 1HB GLU 11 1HB GLU 11 7.961 5.340 2.310 92 2HB GLU 11 2HB GLU 11 9.549 5.018 1.619 93 1HG GLU 11 1HG GLU 11 8.859 4.762 4.596 94 2HG GLU 11 2HG GLU 11 8.638 3.476 3.422 95 H GLN 12 H GLN 12 11.074 8.164 4.197 96 HA GLN 12 HA GLN 12 12.923 9.386 3.819 97 1HB GLN 12 1HB GLN 12 13.872 6.681 2.845 98 2HB GLN 12 2HB GLN 12 14.922 8.033 3.293 99 1HG GLN 12 1HG GLN 12 13.948 8.043 5.570 100 2HG GLN 12 2HG GLN 12 12.933 6.653 5.153 101 1HE2 GLN 12 2HE2 GLN 12 14.613 6.488 7.333 102 2HE2 GLN 12 1HE2 GLN 12 15.935 5.396 6.977 103 H GLY 13 H GLY 13 11.532 10.491 2.196 104 1HA GLY 13 1HA GLY 13 12.928 11.518 0.050 105 2HA GLY 13 2HA GLY 13 11.967 10.170 -0.615 106 H LYS 14 H LYS 14 10.860 12.059 -1.758 107 HA LYS 14 HA LYS 14 8.973 13.682 -0.241 108 1HB LYS 14 1HB LYS 14 9.290 12.955 -3.180 109 2HB LYS 14 2HB LYS 14 7.883 13.844 -2.569 110 1HG LYS 14 1HG LYS 14 9.302 15.598 -1.660 111 2HG LYS 14 2HG LYS 14 10.766 14.755 -2.208 112 1HD LYS 14 1HD LYS 14 10.124 14.969 -4.531 113 2HD LYS 14 2HD LYS 14 8.526 15.602 -4.111 114 1HE LYS 14 1HE LYS 14 11.150 17.014 -3.445 115 2HE LYS 14 2HE LYS 14 10.171 17.340 -4.887 116 1HZ LYS 14 1HZ LYS 14 8.358 17.946 -3.465 117 2HZ LYS 14 2HZ LYS 14 9.268 17.682 -2.117 118 3HZ LYS 14 3HZ LYS 14 9.680 18.881 -3.167 119 H GLY 15 H GLY 15 8.556 10.897 -2.472 120 1HA GLY 15 1HA GLY 15 5.989 10.169 -1.165 121 2HA GLY 15 2HA GLY 15 6.602 9.634 -2.732 122 H ALA 16 H ALA 16 5.875 7.539 -1.747 123 HA ALA 16 HA ALA 16 7.672 6.151 0.076 124 1HB ALA 16 1HB ALA 16 5.611 5.146 -1.939 125 2HB ALA 16 2HB ALA 16 6.449 4.160 -0.721 126 3HB ALA 16 3HB ALA 16 5.339 5.451 -0.215 127 H SER 17 H SER 17 9.766 5.910 -0.563 128 HA SER 17 HA SER 17 10.376 5.344 -3.444 129 1HB SER 17 1HB SER 17 11.745 7.364 -1.615 130 2HB SER 17 2HB SER 17 12.209 6.954 -3.280 131 HG SER 17 HG SER 17 10.035 7.619 -3.866 132 H ARG 18 H ARG 18 11.856 5.520 -0.153 133 HA ARG 18 HA ARG 18 13.905 3.603 -0.932 134 1HB ARG 18 1HB ARG 18 14.283 5.621 0.446 135 2HB ARG 18 2HB ARG 18 13.268 4.919 1.713 136 1HG ARG 18 1HG ARG 18 14.936 3.651 2.512 137 2HG ARG 18 2HG ARG 18 15.394 3.049 0.913 138 1HD ARG 18 1HD ARG 18 16.151 5.821 1.932 139 2HD ARG 18 2HD ARG 18 17.172 4.407 2.169 140 HE ARG 18 HE ARG 18 16.730 5.930 -0.279 141 1HH1 ARG 18 1HH2 ARG 18 17.749 2.771 0.975 142 2HH1 ARG 18 2HH2 ARG 18 18.718 2.382 -0.424 143 1HH2 ARG 18 1HH1 ARG 18 17.977 5.396 -2.125 144 2HH2 ARG 18 2HH1 ARG 18 18.834 3.881 -2.202 145 H ARG 19 H ARG 19 11.612 2.234 -1.328 146 HA ARG 19 HA ARG 19 11.783 0.063 0.552 147 1HB ARG 19 1HB ARG 19 10.240 1.908 1.635 148 2HB ARG 19 2HB ARG 19 9.029 1.362 0.476 149 1HG ARG 19 1HG ARG 19 9.219 -0.937 1.377 150 2HG ARG 19 2HG ARG 19 10.555 -0.420 2.437 151 1HD ARG 19 1HD ARG 19 8.872 1.275 3.433 152 2HD ARG 19 2HD ARG 19 7.651 0.398 2.536 153 HE ARG 19 HE ARG 19 7.820 -1.393 4.005 154 1HH1 ARG 19 1HH2 ARG 19 10.439 0.957 4.696 155 2HH1 ARG 19 2HH2 ARG 19 10.912 0.143 6.161 156 1HH2 ARG 19 1HH1 ARG 19 8.452 -2.384 5.959 157 2HH2 ARG 19 2HH1 ARG 19 9.777 -1.737 6.892 158 H LEU 20 H LEU 20 9.626 1.603 -1.857 159 HA LEU 20 HA LEU 20 8.457 -0.622 -3.041 160 1HB LEU 20 1HB LEU 20 9.444 1.870 -4.490 161 2HB LEU 20 2HB LEU 20 8.165 0.770 -5.014 162 HG LEU 20 HG LEU 20 8.086 2.711 -2.662 163 1HD1 LEU 20 1HD1 LEU 20 7.738 3.644 -4.938 164 2HD1 LEU 20 2HD1 LEU 20 6.438 2.469 -5.220 165 3HD1 LEU 20 3HD1 LEU 20 6.255 3.712 -3.967 166 1HD2 LEU 20 1HD2 LEU 20 6.065 0.599 -3.505 167 2HD2 LEU 20 2HD2 LEU 20 6.906 0.694 -1.940 168 3HD2 LEU 20 3HD2 LEU 20 5.717 1.927 -2.374 169 H ARG 21 H ARG 21 11.699 0.626 -3.471 170 HA ARG 21 HA ARG 21 12.733 -0.480 -5.731 171 1HB ARG 21 1HB ARG 21 13.873 -0.259 -2.927 172 2HB ARG 21 2HB ARG 21 14.861 -0.690 -4.336 173 1HG ARG 21 1HG ARG 21 14.489 1.413 -5.400 174 2HG ARG 21 2HG ARG 21 13.192 1.856 -4.286 175 1HD ARG 21 1HD ARG 21 15.236 3.073 -3.761 176 2HD ARG 21 2HD ARG 21 14.742 2.044 -2.424 177 HE ARG 21 HE ARG 21 17.041 1.664 -4.289 178 1HH1 ARG 21 1HH2 ARG 21 15.363 0.491 -1.360 179 2HH1 ARG 21 2HH2 ARG 21 16.715 -0.480 -0.851 180 1HH2 ARG 21 1HH1 ARG 21 18.768 0.371 -3.593 181 2HH2 ARG 21 2HH1 ARG 21 18.645 -0.558 -2.121 182 H ALA 22 H ALA 22 12.017 -2.298 -2.703 183 HA ALA 22 HA ALA 22 12.384 -4.837 -4.160 184 1HB ALA 22 1HB ALA 22 14.098 -4.107 -1.748 185 2HB ALA 22 2HB ALA 22 14.008 -5.705 -2.520 186 3HB ALA 22 3HB ALA 22 14.671 -4.326 -3.415 187 H ALA 23 H ALA 23 11.835 -3.334 -0.926 188 HA ALA 23 HA ALA 23 10.614 -5.653 0.182 189 1HB ALA 23 1HB ALA 23 10.493 -2.734 1.001 190 2HB ALA 23 2HB ALA 23 9.929 -4.092 2.000 191 3HB ALA 23 3HB ALA 23 11.647 -3.952 1.571 192 H ASN 24 H ASN 24 8.453 -6.069 0.705 193 HA ASN 24 HA ASN 24 6.652 -5.659 -1.473 194 1HB ASN 24 1HB ASN 24 6.220 -6.874 1.286 195 2HB ASN 24 2HB ASN 24 5.094 -6.996 -0.074 196 1HD2 ASN 24 2HD2 ASN 24 6.199 -9.238 1.273 197 2HD2 ASN 24 1HD2 ASN 24 7.208 -10.104 0.132 198 H LYS 25 H LYS 25 6.120 -3.470 -1.718 199 HA LYS 25 HA LYS 25 3.867 -2.674 -0.138 200 1HB LYS 25 1HB LYS 25 6.046 -1.861 1.128 201 2HB LYS 25 2HB LYS 25 6.109 -0.616 -0.122 202 1HG LYS 25 1HG LYS 25 3.864 0.176 0.542 203 2HG LYS 25 2HG LYS 25 3.669 -1.259 1.572 204 1HD LYS 25 1HD LYS 25 5.570 -0.496 2.977 205 2HD LYS 25 2HD LYS 25 5.616 1.002 1.999 206 1HE LYS 25 1HE LYS 25 3.280 1.469 2.655 207 2HE LYS 25 2HE LYS 25 3.235 -0.002 3.620 208 1HZ LYS 25 1HZ LYS 25 5.029 2.260 4.086 209 2HZ LYS 25 2HZ LYS 25 3.686 1.885 4.975 210 3HZ LYS 25 3HZ LYS 25 4.976 0.865 4.983 211 H PHE 26 H PHE 26 2.794 -0.742 -1.070 212 HA PHE 26 HA PHE 26 3.776 0.283 -3.602 213 1HB PHE 26 1HB PHE 26 1.879 -0.388 -4.932 214 2HB PHE 26 2HB PHE 26 2.666 -1.820 -4.299 215 HD1 PHE 26 HD1 PHE 26 1.608 -3.085 -2.427 216 HD2 PHE 26 HD2 PHE 26 -0.378 0.192 -4.318 217 HE1 PHE 26 HE1 PHE 26 -0.506 -3.705 -1.249 218 HE2 PHE 26 HE2 PHE 26 -2.502 -0.415 -3.184 219 HZ PHE 26 HZ PHE 26 -2.568 -2.367 -1.649 220 HA PRO 27 HA PRO 27 1.365 3.651 -1.903 221 1HB PRO 27 1HB PRO 27 1.268 5.396 -3.972 222 2HB PRO 27 2HB PRO 27 2.818 4.950 -3.190 223 1HG PRO 27 1HG PRO 27 1.634 3.777 -5.727 224 2HG PRO 27 2HG PRO 27 3.285 4.421 -5.489 225 1HD PRO 27 1HD PRO 27 2.715 1.758 -5.279 226 2HD PRO 27 2HD PRO 27 3.936 2.540 -4.233 227 H ALA 28 H ALA 28 -0.796 4.345 -1.810 228 HA ALA 28 HA ALA 28 -2.697 3.461 -3.938 229 1HB ALA 28 1HB ALA 28 -3.052 3.121 -0.934 230 2HB ALA 28 2HB ALA 28 -4.278 2.783 -2.176 231 3HB ALA 28 3HB ALA 28 -2.787 1.821 -2.121 232 H ILE 29 H ILE 29 -4.864 4.591 -3.578 233 HA ILE 29 HA ILE 29 -4.484 7.396 -2.671 234 HB ILE 29 HB ILE 29 -5.332 6.382 -5.400 235 1HG1 ILE 29 1HG1 ILE 29 -3.144 8.309 -4.471 236 2HG1 ILE 29 2HG1 ILE 29 -2.893 6.661 -5.051 237 1HG2 ILE 29 1HG2 ILE 29 -6.918 8.161 -4.728 238 2HG2 ILE 29 2HG2 ILE 29 -5.544 9.237 -4.393 239 3HG2 ILE 29 3HG2 ILE 29 -5.876 8.662 -6.040 240 1HD1 ILE 29 1HD1 ILE 29 -3.881 7.386 -7.277 241 2HD1 ILE 29 2HD1 ILE 29 -3.776 9.060 -6.678 242 3HD1 ILE 29 3HD1 ILE 29 -2.311 8.086 -6.836 243 H ILE 30 H ILE 30 -6.260 8.415 -1.933 244 HA ILE 30 HA ILE 30 -8.827 6.896 -1.779 245 HB ILE 30 HB ILE 30 -7.734 8.939 0.191 246 1HG1 ILE 30 1HG1 ILE 30 -7.983 5.907 0.401 247 2HG1 ILE 30 2HG1 ILE 30 -6.493 6.861 0.419 248 1HG2 ILE 30 1HG2 ILE 30 -10.222 8.960 -0.089 249 2HG2 ILE 30 2HG2 ILE 30 -10.261 7.223 0.276 250 3HG2 ILE 30 3HG2 ILE 30 -9.747 8.409 1.498 251 1HD1 ILE 30 1HD1 ILE 30 -7.309 7.977 2.533 252 2HD1 ILE 30 2HD1 ILE 30 -8.653 6.807 2.557 253 3HD1 ILE 30 3HD1 ILE 30 -6.998 6.237 2.686 254 H TYR 31 H TYR 31 -10.055 7.688 -3.358 255 HA TYR 31 HA TYR 31 -10.193 10.542 -4.049 256 1HB TYR 31 1HB TYR 31 -11.743 8.064 -4.885 257 2HB TYR 31 2HB TYR 31 -12.197 9.684 -5.376 258 HD1 TYR 31 HD1 TYR 31 -9.323 7.249 -5.510 259 HD2 TYR 31 HD2 TYR 31 -11.294 10.637 -7.320 260 HE1 TYR 31 HE1 TYR 31 -7.702 7.203 -7.378 261 HE2 TYR 31 HE2 TYR 31 -9.706 10.548 -9.210 262 HH TYR 31 HH TYR 31 -7.860 9.516 -10.111 263 H GLY 32 H GLY 32 -12.208 11.730 -3.796 264 1HA GLY 32 1HA GLY 32 -14.342 10.815 -2.123 265 2HA GLY 32 2HA GLY 32 -13.238 11.873 -1.212 266 H GLY 33 H GLY 33 -16.085 12.200 -2.363 267 1HA GLY 33 1HA GLY 33 -15.913 14.303 -4.369 268 2HA GLY 33 2HA GLY 33 -17.346 13.737 -3.499 269 H LYS 34 H LYS 34 -14.265 15.455 -2.854 270 HA LYS 34 HA LYS 34 -15.562 17.720 -1.655 271 1HB LYS 34 1HB LYS 34 -15.342 15.584 0.125 272 2HB LYS 34 2HB LYS 34 -13.833 16.448 0.413 273 1HG LYS 34 1HG LYS 34 -15.239 18.582 0.650 274 2HG LYS 34 2HG LYS 34 -16.670 17.551 0.497 275 1HD LYS 34 1HD LYS 34 -16.406 17.877 2.804 276 2HD LYS 34 2HD LYS 34 -15.811 16.234 2.516 277 1HE LYS 34 1HE LYS 34 -13.470 17.068 2.595 278 2HE LYS 34 2HE LYS 34 -14.057 18.735 2.737 279 1HZ LYS 34 1HZ LYS 34 -15.053 18.148 4.818 280 2HZ LYS 34 2HZ LYS 34 -14.494 16.601 4.701 281 3HZ LYS 34 3HZ LYS 34 -13.433 17.856 4.837 282 H GLU 35 H GLU 35 -12.583 15.805 -2.104 283 HA GLU 35 HA GLU 35 -10.970 18.262 -2.456 284 1HB GLU 35 1HB GLU 35 -11.050 17.532 -0.029 285 2HB GLU 35 2HB GLU 35 -10.295 16.006 -0.512 286 1HG GLU 35 1HG GLU 35 -8.293 17.258 -1.290 287 2HG GLU 35 2HG GLU 35 -9.084 18.788 -0.861 288 H ALA 36 H ALA 36 -8.827 17.731 -3.342 289 HA ALA 36 HA ALA 36 -8.855 16.002 -5.543 290 1HB ALA 36 1HB ALA 36 -7.344 17.923 -5.327 291 2HB ALA 36 2HB ALA 36 -6.503 17.142 -3.969 292 3HB ALA 36 3HB ALA 36 -6.393 16.452 -5.598 293 HA PRO 37 HA PRO 37 -8.249 12.075 -3.728 294 1HB PRO 37 1HB PRO 37 -7.085 10.598 -5.711 295 2HB PRO 37 2HB PRO 37 -8.729 11.271 -5.812 296 1HG PRO 37 1HG PRO 37 -6.195 12.488 -6.939 297 2HG PRO 37 2HG PRO 37 -7.731 12.166 -7.798 298 1HD PRO 37 1HD PRO 37 -7.208 14.606 -6.760 299 2HD PRO 37 2HD PRO 37 -8.848 13.905 -6.629 300 H LEU 38 H LEU 38 -6.917 12.373 -1.980 301 HA LEU 38 HA LEU 38 -4.115 12.880 -2.141 302 1HB LEU 38 1HB LEU 38 -4.150 12.713 0.284 303 2HB LEU 38 2HB LEU 38 -5.492 13.663 -0.341 304 HG LEU 38 HG LEU 38 -6.841 11.360 -0.124 305 1HD1 LEU 38 1HD1 LEU 38 -4.624 11.061 1.961 306 2HD1 LEU 38 2HD1 LEU 38 -6.132 10.130 1.922 307 3HD1 LEU 38 3HD1 LEU 38 -4.954 9.939 0.627 308 1HD2 LEU 38 1HD2 LEU 38 -6.112 13.144 2.231 309 2HD2 LEU 38 2HD2 LEU 38 -7.386 13.454 1.030 310 3HD2 LEU 38 3HD2 LEU 38 -7.528 12.073 2.130 311 H ALA 39 H ALA 39 -2.359 11.564 -1.418 312 HA ALA 39 HA ALA 39 -2.705 8.687 -2.102 313 1HB ALA 39 1HB ALA 39 -1.347 10.016 -3.671 314 2HB ALA 39 2HB ALA 39 -0.255 10.457 -2.338 315 3HB ALA 39 3HB ALA 39 -0.410 8.758 -2.844 316 H ILE 40 H ILE 40 -1.588 7.111 -0.949 317 HA ILE 40 HA ILE 40 -0.380 7.808 1.658 318 HB ILE 40 HB ILE 40 -1.839 6.082 2.736 319 1HG1 ILE 40 1HG1 ILE 40 -3.599 6.330 0.255 320 2HG1 ILE 40 2HG1 ILE 40 -2.528 4.957 0.577 321 1HG2 ILE 40 1HG2 ILE 40 -2.243 8.550 2.921 322 2HG2 ILE 40 2HG2 ILE 40 -3.434 8.408 1.610 323 3HG2 ILE 40 3HG2 ILE 40 -3.689 7.565 3.147 324 1HD1 ILE 40 1HD1 ILE 40 -3.720 4.515 2.701 325 2HD1 ILE 40 2HD1 ILE 40 -4.843 5.836 2.322 326 3HD1 ILE 40 3HD1 ILE 40 -4.778 4.410 1.276 327 H GLU 41 H GLU 41 0.568 6.004 2.710 328 HA GLU 41 HA GLU 41 1.893 3.998 1.005 329 1HB GLU 41 1HB GLU 41 2.059 5.045 3.838 330 2HB GLU 41 2HB GLU 41 2.618 3.412 3.562 331 1HG GLU 41 1HG GLU 41 3.609 5.636 1.760 332 2HG GLU 41 2HG GLU 41 4.286 5.424 3.380 333 H LEU 42 H LEU 42 1.534 1.719 1.268 334 HA LEU 42 HA LEU 42 -0.606 0.811 3.050 335 1HB LEU 42 1HB LEU 42 -1.318 1.583 0.465 336 2HB LEU 42 2HB LEU 42 -1.006 -0.131 0.257 337 HG LEU 42 HG LEU 42 -2.568 -0.536 2.264 338 1HD1 LEU 42 1HD1 LEU 42 -3.130 2.419 1.732 339 2HD1 LEU 42 2HD1 LEU 42 -4.229 1.364 2.632 340 3HD1 LEU 42 3HD1 LEU 42 -2.619 1.695 3.271 341 1HD2 LEU 42 1HD2 LEU 42 -3.692 0.814 -0.225 342 2HD2 LEU 42 2HD2 LEU 42 -3.278 -0.902 -0.056 343 3HD2 LEU 42 3HD2 LEU 42 -4.601 -0.207 0.896 344 H ASP 43 H ASP 43 0.240 -0.852 4.064 345 HA ASP 43 HA ASP 43 2.612 -2.203 3.234 346 1HB ASP 43 1HB ASP 43 0.673 -2.777 5.489 347 2HB ASP 43 2HB ASP 43 2.284 -3.484 5.294 348 H HIS 44 H HIS 44 2.641 -3.610 1.585 349 HA HIS 44 HA HIS 44 0.410 -5.210 0.729 350 1HB HIS 44 1HB HIS 44 2.171 -4.193 -0.696 351 2HB HIS 44 2HB HIS 44 3.319 -5.373 -0.097 352 HD1 HIS 44 HD1 HIS 44 1.279 -7.930 -0.323 353 HD2 HIS 44 HD2 HIS 44 2.368 -5.088 -3.225 354 HE1 HIS 44 HE1 HIS 44 0.989 -9.048 -2.601 355 H ASP 45 H ASP 45 0.113 -6.188 2.918 356 HA ASP 45 HA ASP 45 0.964 -8.954 2.853 357 1HB ASP 45 1HB ASP 45 2.944 -8.152 3.987 358 2HB ASP 45 2HB ASP 45 2.003 -7.095 5.041 359 H LYS 46 H LYS 46 -0.029 -6.656 5.417 360 HA LYS 46 HA LYS 46 -2.215 -8.248 6.291 361 1HB LYS 46 1HB LYS 46 -0.958 -6.595 7.621 362 2HB LYS 46 2HB LYS 46 -1.735 -5.270 6.722 363 1HG LYS 46 1HG LYS 46 -3.963 -6.190 7.461 364 2HG LYS 46 2HG LYS 46 -3.115 -7.397 8.435 365 1HD LYS 46 1HD LYS 46 -3.022 -4.363 8.785 366 2HD LYS 46 2HD LYS 46 -3.909 -5.518 9.774 367 1HE LYS 46 1HE LYS 46 -2.071 -5.164 11.105 368 2HE LYS 46 2HE LYS 46 -1.578 -6.627 10.238 369 1HZ LYS 46 1HZ LYS 46 -0.825 -3.852 9.617 370 2HZ LYS 46 2HZ LYS 46 0.147 -4.977 10.329 371 3HZ LYS 46 3HZ LYS 46 -0.316 -5.164 8.761 372 H VAL 47 H VAL 47 -2.022 -5.358 4.131 373 HA VAL 47 HA VAL 47 -4.822 -5.232 3.658 374 HB VAL 47 HB VAL 47 -3.101 -3.413 3.268 375 1HG1 VAL 47 1HG1 VAL 47 -1.645 -4.913 1.729 376 2HG1 VAL 47 2HG1 VAL 47 -2.861 -4.619 0.489 377 3HG1 VAL 47 3HG1 VAL 47 -1.965 -3.253 1.176 378 1HG2 VAL 47 1HG2 VAL 47 -5.485 -3.245 2.616 379 2HG2 VAL 47 2HG2 VAL 47 -4.426 -2.418 1.467 380 3HG2 VAL 47 3HG2 VAL 47 -5.119 -3.991 1.048 381 H MET 48 H MET 48 -2.202 -7.093 2.109 382 HA MET 48 HA MET 48 -3.567 -7.869 -0.219 383 1HB MET 48 1HB MET 48 -1.126 -8.098 0.217 384 2HB MET 48 2HB MET 48 -1.474 -9.413 1.343 385 1HG MET 48 1HG MET 48 -0.733 -10.331 -0.680 386 2HG MET 48 2HG MET 48 -2.431 -10.756 -0.537 387 1HE MET 48 1HE MET 48 -3.969 -10.620 -2.550 388 2HE MET 48 2HE MET 48 -4.326 -8.964 -2.014 389 3HE MET 48 3HE MET 48 -3.962 -9.283 -3.718 390 H ASN 49 H ASN 49 -3.582 -9.236 3.082 391 HA ASN 49 HA ASN 49 -5.376 -11.437 2.432 392 1HB ASN 49 1HB ASN 49 -4.451 -10.181 5.045 393 2HB ASN 49 2HB ASN 49 -5.653 -11.472 4.958 394 1HD2 ASN 49 2HD2 ASN 49 -2.238 -10.680 4.140 395 2HD2 ASN 49 1HD2 ASN 49 -1.699 -12.345 4.145 396 H MET 50 H MET 50 -5.808 -8.343 4.250 397 HA MET 50 HA MET 50 -8.526 -8.598 4.753 398 1HB MET 50 1HB MET 50 -6.768 -6.147 4.420 399 2HB MET 50 2HB MET 50 -8.468 -6.038 4.891 400 1HG MET 50 1HG MET 50 -8.113 -7.411 6.842 401 2HG MET 50 2HG MET 50 -6.411 -7.661 6.429 402 1HE MET 50 1HE MET 50 -5.960 -6.957 9.010 403 2HE MET 50 2HE MET 50 -6.436 -5.378 9.682 404 3HE MET 50 3HE MET 50 -7.680 -6.575 9.259 405 H GLN 51 H GLN 51 -7.025 -7.349 1.757 406 HA GLN 51 HA GLN 51 -9.313 -6.066 0.803 407 1HB GLN 51 1HB GLN 51 -8.240 -5.848 -1.284 408 2HB GLN 51 2HB GLN 51 -7.027 -5.691 -0.031 409 1HG GLN 51 1HG GLN 51 -5.816 -7.260 -1.061 410 2HG GLN 51 2HG GLN 51 -7.015 -8.468 -0.651 411 1HE2 GLN 51 2HE2 GLN 51 -9.185 -7.823 -2.348 412 2HE2 GLN 51 1HE2 GLN 51 -8.655 -7.980 -4.006 413 H ALA 52 H ALA 52 -8.632 -9.459 0.900 414 HA ALA 52 HA ALA 52 -9.541 -11.276 -0.142 415 1HB ALA 52 1HB ALA 52 -11.890 -9.840 1.151 416 2HB ALA 52 2HB ALA 52 -11.840 -11.572 0.732 417 3HB ALA 52 3HB ALA 52 -10.712 -10.909 1.927 418 H LYS 53 H LYS 53 -12.655 -10.019 -0.722 419 HA LYS 53 HA LYS 53 -12.738 -8.653 -3.004 420 1HB LYS 53 1HB LYS 53 -13.287 -10.306 -4.809 421 2HB LYS 53 2HB LYS 53 -11.595 -10.229 -4.371 422 1HG LYS 53 1HG LYS 53 -12.027 -12.323 -2.888 423 2HG LYS 53 2HG LYS 53 -13.642 -12.354 -3.581 424 1HD LYS 53 1HD LYS 53 -12.186 -13.924 -4.728 425 2HD LYS 53 2HD LYS 53 -12.737 -12.662 -5.834 426 1HE LYS 53 1HE LYS 53 -10.329 -13.318 -6.101 427 2HE LYS 53 2HE LYS 53 -10.567 -11.592 -5.829 428 1HZ LYS 53 1HZ LYS 53 -9.809 -13.535 -3.755 429 2HZ LYS 53 2HZ LYS 53 -8.769 -12.519 -4.532 430 3HZ LYS 53 3HZ LYS 53 -9.941 -11.899 -3.559 431 H ALA 54 H ALA 54 -14.873 -8.198 -3.480 432 HA ALA 54 HA ALA 54 -17.091 -8.132 -3.391 433 1HB ALA 54 1HB ALA 54 -17.058 -10.514 -4.078 434 2HB ALA 54 2HB ALA 54 -17.153 -10.997 -2.370 435 3HB ALA 54 3HB ALA 54 -18.466 -10.068 -3.098 436 H GLU 55 H GLU 55 -16.006 -9.927 -0.476 437 HA GLU 55 HA GLU 55 -17.694 -8.788 1.467 438 1HB GLU 55 1HB GLU 55 -16.195 -10.725 1.789 439 2HB GLU 55 2HB GLU 55 -14.775 -9.682 1.613 440 1HG GLU 55 1HG GLU 55 -15.482 -8.424 3.659 441 2HG GLU 55 2HG GLU 55 -16.863 -9.521 3.826 442 H PHE 56 H PHE 56 -14.512 -7.755 0.234 443 HA PHE 56 HA PHE 56 -14.341 -5.373 1.854 444 1HB PHE 56 1HB PHE 56 -12.495 -6.940 1.078 445 2HB PHE 56 2HB PHE 56 -12.687 -6.260 -0.533 446 HD1 PHE 56 HD1 PHE 56 -12.002 -5.351 3.040 447 HD2 PHE 56 HD2 PHE 56 -11.326 -4.371 -1.104 448 HE1 PHE 56 HE1 PHE 56 -10.168 -3.841 3.696 449 HE2 PHE 56 HE2 PHE 56 -9.428 -2.916 -0.447 450 HZ PHE 56 HZ PHE 56 -8.800 -2.695 1.952 451 H TYR 57 H TYR 57 -16.705 -5.205 0.394 452 HA TYR 57 HA TYR 57 -16.351 -2.748 -1.176 453 1HB TYR 57 1HB TYR 57 -17.186 -5.398 -2.347 454 2HB TYR 57 2HB TYR 57 -18.159 -4.006 -2.768 455 HD1 TYR 57 HD1 TYR 57 -14.682 -5.381 -2.951 456 HD2 TYR 57 HD2 TYR 57 -17.515 -2.479 -4.421 457 HE1 TYR 57 HE1 TYR 57 -13.057 -4.660 -4.679 458 HE2 TYR 57 HE2 TYR 57 -15.974 -1.906 -6.254 459 HH TYR 57 HH TYR 57 -13.802 -2.013 -6.981 460 H SER 58 H SER 58 -18.771 -5.312 -0.511 461 HA SER 58 HA SER 58 -20.897 -3.457 -0.066 462 1HB SER 58 1HB SER 58 -21.204 -5.759 -0.900 463 2HB SER 58 2HB SER 58 -20.686 -6.411 0.667 464 HG SER 58 HG SER 58 -22.465 -5.317 1.603 465 H GLU 59 H GLU 59 -18.915 -5.467 2.186 466 HA GLU 59 HA GLU 59 -20.402 -4.476 4.491 467 1HB GLU 59 1HB GLU 59 -18.063 -6.408 4.289 468 2HB GLU 59 2HB GLU 59 -19.086 -6.134 5.709 469 1HG GLU 59 1HG GLU 59 -21.072 -6.914 4.455 470 2HG GLU 59 2HG GLU 59 -20.075 -7.200 3.020 471 H VAL 60 H VAL 60 -18.554 -2.629 2.929 472 HA VAL 60 HA VAL 60 -17.074 -1.055 3.157 473 HB VAL 60 HB VAL 60 -17.366 0.496 4.851 474 1HG1 VAL 60 1HG1 VAL 60 -19.333 0.027 3.403 475 2HG1 VAL 60 2HG1 VAL 60 -20.017 -0.982 4.693 476 3HG1 VAL 60 3HG1 VAL 60 -19.748 0.748 4.967 477 1HG2 VAL 60 1HG2 VAL 60 -16.980 -0.886 6.868 478 2HG2 VAL 60 2HG2 VAL 60 -18.391 0.168 6.999 479 3HG2 VAL 60 3HG2 VAL 60 -18.622 -1.558 6.706 480 H LEU 61 H LEU 61 -15.315 0.035 4.725 481 HA LEU 61 HA LEU 61 -13.525 -1.808 6.032 482 1HB LEU 61 1HB LEU 61 -11.725 -1.560 4.286 483 2HB LEU 61 2HB LEU 61 -13.035 -2.640 3.848 484 HG LEU 61 HG LEU 61 -13.594 0.095 2.950 485 1HD1 LEU 61 1HD1 LEU 61 -11.042 0.015 2.770 486 2HD1 LEU 61 2HD1 LEU 61 -11.287 -1.281 1.587 487 3HD1 LEU 61 3HD1 LEU 61 -11.955 0.329 1.281 488 1HD2 LEU 61 1HD2 LEU 61 -14.846 -1.908 2.164 489 2HD2 LEU 61 2HD2 LEU 61 -14.054 -1.064 0.836 490 3HD2 LEU 61 3HD2 LEU 61 -13.347 -2.555 1.476 491 H THR 62 H THR 62 -11.377 -0.607 6.486 492 HA THR 62 HA THR 62 -11.722 2.332 6.544 493 HB THR 62 HB THR 62 -11.345 0.578 9.015 494 HG1 THR 62 HG1 THR 62 -13.486 2.113 7.999 495 1HG2 THR 62 1HG2 THR 62 -11.400 3.609 8.686 496 2HG2 THR 62 2HG2 THR 62 -11.607 2.759 10.235 497 3HG2 THR 62 3HG2 THR 62 -10.084 2.617 9.349 498 H ILE 63 H ILE 63 -9.859 3.511 6.755 499 HA ILE 63 HA ILE 63 -7.281 1.999 6.616 500 HB ILE 63 HB ILE 63 -8.045 4.528 5.120 501 1HG1 ILE 63 1HG1 ILE 63 -7.560 1.737 3.970 502 2HG1 ILE 63 2HG1 ILE 63 -9.169 2.412 4.244 503 1HG2 ILE 63 1HG2 ILE 63 -5.626 4.296 5.793 504 2HG2 ILE 63 2HG2 ILE 63 -5.568 2.743 4.944 505 3HG2 ILE 63 3HG2 ILE 63 -5.845 4.251 4.049 506 1HD1 ILE 63 1HD1 ILE 63 -8.639 4.336 2.779 507 2HD1 ILE 63 2HD1 ILE 63 -7.101 3.546 2.343 508 3HD1 ILE 63 3HD1 ILE 63 -8.645 2.764 1.977 509 H VAL 64 H VAL 64 -5.990 2.501 8.251 510 HA VAL 64 HA VAL 64 -6.519 4.820 9.991 511 HB VAL 64 HB VAL 64 -4.406 2.622 10.128 512 1HG1 VAL 64 1HG1 VAL 64 -5.322 4.695 12.176 513 2HG1 VAL 64 2HG1 VAL 64 -4.218 3.344 12.505 514 3HG1 VAL 64 3HG1 VAL 64 -3.726 4.623 11.398 515 1HG2 VAL 64 1HG2 VAL 64 -7.093 2.902 11.540 516 2HG2 VAL 64 2HG2 VAL 64 -6.646 1.649 10.358 517 3HG2 VAL 64 3HG2 VAL 64 -5.843 1.704 11.931 518 H VAL 65 H VAL 65 -6.115 6.453 8.352 519 HA VAL 65 HA VAL 65 -3.454 6.652 7.123 520 HB VAL 65 HB VAL 65 -5.773 8.631 7.162 521 1HG1 VAL 65 1HG1 VAL 65 -3.251 8.453 5.443 522 2HG1 VAL 65 2HG1 VAL 65 -4.602 9.571 5.165 523 3HG1 VAL 65 3HG1 VAL 65 -3.616 9.727 6.621 524 1HG2 VAL 65 1HG2 VAL 65 -4.970 6.545 5.096 525 2HG2 VAL 65 2HG2 VAL 65 -6.468 6.561 6.058 526 3HG2 VAL 65 3HG2 VAL 65 -6.181 7.817 4.851 527 H ASP 66 H ASP 66 -2.221 6.554 9.084 528 HA ASP 66 HA ASP 66 -1.176 7.298 10.931 529 1HB ASP 66 1HB ASP 66 -0.258 8.889 9.315 530 2HB ASP 66 2HB ASP 66 -1.599 10.009 9.600 531 H GLY 67 H GLY 67 -3.181 6.485 12.000 532 1HA GLY 67 1HA GLY 67 -4.462 6.707 13.906 533 2HA GLY 67 2HA GLY 67 -4.223 8.457 13.903 534 H LYS 68 H LYS 68 -5.160 9.164 11.368 535 HA LYS 68 HA LYS 68 -7.884 9.469 11.921 536 1HB LYS 68 1HB LYS 68 -6.332 10.936 10.535 537 2HB LYS 68 2HB LYS 68 -6.544 9.792 9.214 538 1HG LYS 68 1HG LYS 68 -8.128 11.413 8.703 539 2HG LYS 68 2HG LYS 68 -9.086 10.167 9.499 540 1HD LYS 68 1HD LYS 68 -9.908 11.990 10.595 541 2HD LYS 68 2HD LYS 68 -8.556 11.670 11.684 542 1HE LYS 68 1HE LYS 68 -8.640 13.683 9.377 543 2HE LYS 68 2HE LYS 68 -8.740 14.063 11.102 544 1HZ LYS 68 1HZ LYS 68 -6.519 13.204 11.355 545 2HZ LYS 68 2HZ LYS 68 -6.422 12.886 9.741 546 3HZ LYS 68 3HZ LYS 68 -6.561 14.440 10.265 547 H GLU 69 H GLU 69 -9.403 7.904 11.883 548 HA GLU 69 HA GLU 69 -9.214 5.536 10.214 549 1HB GLU 69 1HB GLU 69 -11.420 5.006 11.238 550 2HB GLU 69 2HB GLU 69 -10.084 5.201 12.372 551 1HG GLU 69 1HG GLU 69 -10.891 7.265 13.196 552 2HG GLU 69 2HG GLU 69 -11.986 7.515 11.835 553 H ILE 70 H ILE 70 -9.088 6.721 8.143 554 HA ILE 70 HA ILE 70 -11.482 8.034 7.118 555 HB ILE 70 HB ILE 70 -9.021 6.928 5.718 556 1HG1 ILE 70 1HG1 ILE 70 -8.483 8.798 7.246 557 2HG1 ILE 70 2HG1 ILE 70 -8.244 9.194 5.550 558 1HG2 ILE 70 1HG2 ILE 70 -11.385 8.533 4.681 559 2HG2 ILE 70 2HG2 ILE 70 -9.807 8.512 3.868 560 3HG2 ILE 70 3HG2 ILE 70 -10.717 7.011 4.068 561 1HD1 ILE 70 1HD1 ILE 70 -10.419 10.438 5.533 562 2HD1 ILE 70 2HD1 ILE 70 -10.587 10.103 7.274 563 3HD1 ILE 70 3HD1 ILE 70 -9.242 11.085 6.674 564 H LYS 71 H LYS 71 -13.280 6.804 7.182 565 HA LYS 71 HA LYS 71 -13.233 3.965 6.541 566 1HB LYS 71 1HB LYS 71 -15.613 5.749 7.139 567 2HB LYS 71 2HB LYS 71 -15.563 3.975 7.072 568 1HG LYS 71 1HG LYS 71 -13.623 4.262 8.867 569 2HG LYS 71 2HG LYS 71 -14.368 5.838 9.144 570 1HD LYS 71 1HD LYS 71 -15.725 3.109 9.347 571 2HD LYS 71 2HD LYS 71 -15.151 4.097 10.701 572 1HE LYS 71 1HE LYS 71 -16.742 5.904 10.054 573 2HE LYS 71 2HE LYS 71 -17.368 4.874 8.750 574 1HZ LYS 71 1HZ LYS 71 -18.006 3.278 10.408 575 2HZ LYS 71 2HZ LYS 71 -17.430 4.242 11.615 576 3HZ LYS 71 3HZ LYS 71 -18.711 4.738 10.704 577 H VAL 72 H VAL 72 -13.868 3.005 4.700 578 HA VAL 72 HA VAL 72 -14.598 4.652 2.334 579 HB VAL 72 HB VAL 72 -12.736 3.225 1.185 580 1HG1 VAL 72 1HG1 VAL 72 -12.081 5.545 3.030 581 2HG1 VAL 72 2HG1 VAL 72 -10.974 4.900 1.805 582 3HG1 VAL 72 3HG1 VAL 72 -12.506 5.622 1.309 583 1HG2 VAL 72 1HG2 VAL 72 -12.342 1.869 3.350 584 2HG2 VAL 72 2HG2 VAL 72 -10.920 2.483 2.491 585 3HG2 VAL 72 3HG2 VAL 72 -11.497 3.293 3.959 586 H LYS 73 H LYS 73 -14.944 3.208 0.414 587 HA LYS 73 HA LYS 73 -16.187 0.595 1.138 588 1HB LYS 73 1HB LYS 73 -17.460 3.013 -0.024 589 2HB LYS 73 2HB LYS 73 -17.695 1.564 -1.001 590 1HG LYS 73 1HG LYS 73 -18.446 0.331 1.046 591 2HG LYS 73 2HG LYS 73 -18.387 1.866 1.942 592 1HD LYS 73 1HD LYS 73 -20.059 2.828 0.383 593 2HD LYS 73 2HD LYS 73 -20.023 1.340 -0.588 594 1HE LYS 73 1HE LYS 73 -20.836 0.044 1.388 595 2HE LYS 73 2HE LYS 73 -20.966 1.561 2.303 596 1HZ LYS 73 1HZ LYS 73 -22.415 0.904 -0.165 597 2HZ LYS 73 2HZ LYS 73 -23.043 0.898 1.357 598 3HZ LYS 73 3HZ LYS 73 -22.549 2.316 0.677 599 H ALA 74 H ALA 74 -13.715 1.963 -0.584 600 HA ALA 74 HA ALA 74 -12.381 1.224 -2.241 601 1HB ALA 74 1HB ALA 74 -12.227 -0.725 -0.787 602 2HB ALA 74 2HB ALA 74 -13.627 -1.471 -1.586 603 3HB ALA 74 3HB ALA 74 -12.132 -1.191 -2.487 604 H GLN 75 H GLN 75 -13.440 2.492 -3.896 605 HA GLN 75 HA GLN 75 -15.557 1.463 -5.498 606 1HB GLN 75 1HB GLN 75 -15.048 3.816 -5.383 607 2HB GLN 75 2HB GLN 75 -13.429 3.566 -6.060 608 1HG GLN 75 1HG GLN 75 -14.975 4.469 -7.730 609 2HG GLN 75 2HG GLN 75 -14.407 2.869 -8.207 610 1HE2 GLN 75 2HE2 GLN 75 -15.997 1.470 -8.898 611 2HE2 GLN 75 1HE2 GLN 75 -17.697 1.609 -8.500 612 H ASP 76 H ASP 76 -12.005 1.667 -6.165 613 HA ASP 76 HA ASP 76 -12.225 -0.847 -7.750 614 1HB ASP 76 1HB ASP 76 -12.185 0.943 -9.383 615 2HB ASP 76 2HB ASP 76 -10.768 1.667 -8.614 616 H VAL 77 H VAL 77 -10.740 -2.288 -7.237 617 HA VAL 77 HA VAL 77 -8.286 -1.470 -5.768 618 HB VAL 77 HB VAL 77 -8.367 -3.404 -4.410 619 1HG1 VAL 77 1HG1 VAL 77 -9.846 -1.488 -3.675 620 2HG1 VAL 77 2HG1 VAL 77 -11.224 -2.344 -4.390 621 3HG1 VAL 77 3HG1 VAL 77 -10.327 -3.064 -3.042 622 1HG2 VAL 77 1HG2 VAL 77 -10.820 -4.322 -5.968 623 2HG2 VAL 77 2HG2 VAL 77 -9.245 -5.141 -5.830 624 3HG2 VAL 77 3HG2 VAL 77 -10.291 -5.020 -4.423 625 H GLN 78 H GLN 78 -6.485 -1.941 -6.973 626 HA GLN 78 HA GLN 78 -6.886 -3.540 -9.423 627 1HB GLN 78 1HB GLN 78 -4.397 -2.025 -8.605 628 2HB GLN 78 2HB GLN 78 -4.826 -2.705 -10.175 629 1HG GLN 78 1HG GLN 78 -6.817 -1.187 -10.274 630 2HG GLN 78 2HG GLN 78 -6.323 -0.457 -8.736 631 1HE2 GLN 78 2HE2 GLN 78 -6.123 1.641 -9.656 632 2HE2 GLN 78 1HE2 GLN 78 -4.803 2.028 -10.739 633 H ARG 79 H ARG 79 -7.375 -5.256 -7.804 634 HA ARG 79 HA ARG 79 -5.267 -6.710 -6.474 635 1HB ARG 79 1HB ARG 79 -7.028 -8.432 -6.206 636 2HB ARG 79 2HB ARG 79 -7.570 -6.829 -5.702 637 1HG ARG 79 1HG ARG 79 -8.875 -6.539 -7.726 638 2HG ARG 79 2HG ARG 79 -8.181 -7.989 -8.458 639 1HD ARG 79 1HD ARG 79 -9.331 -9.424 -6.873 640 2HD ARG 79 2HD ARG 79 -9.796 -8.032 -5.884 641 HE ARG 79 HE ARG 79 -11.597 -7.666 -7.180 642 1HH1 ARG 79 1HH2 ARG 79 -9.347 -9.606 -9.132 643 2HH1 ARG 79 2HH2 ARG 79 -10.440 -9.723 -10.487 644 1HH2 ARG 79 1HH1 ARG 79 -13.007 -7.839 -8.954 645 2HH2 ARG 79 2HH1 ARG 79 -12.532 -8.723 -10.379 646 H HIS 80 H HIS 80 -4.882 -9.043 -6.993 647 HA HIS 80 HA HIS 80 -5.177 -9.750 -9.848 648 1HB HIS 80 1HB HIS 80 -2.836 -8.964 -9.348 649 2HB HIS 80 2HB HIS 80 -2.650 -10.368 -8.295 650 HD1 HIS 80 HD1 HIS 80 -3.978 -12.600 -10.135 651 HD2 HIS 80 HD2 HIS 80 -1.475 -9.492 -11.475 652 HE1 HIS 80 HE1 HIS 80 -3.066 -13.322 -12.402 653 HA PRO 81 HA PRO 81 -6.875 -13.099 -7.248 654 1HB PRO 81 1HB PRO 81 -8.405 -14.371 -9.097 655 2HB PRO 81 2HB PRO 81 -8.849 -12.761 -8.460 656 1HG PRO 81 1HG PRO 81 -7.377 -13.380 -11.033 657 2HG PRO 81 2HG PRO 81 -8.808 -12.330 -10.821 658 1HD PRO 81 1HD PRO 81 -6.252 -11.373 -10.905 659 2HD PRO 81 2HD PRO 81 -7.489 -10.611 -9.860 660 H TYR 82 H TYR 82 -6.804 -15.504 -7.382 661 HA TYR 82 HA TYR 82 -5.831 -17.482 -7.660 662 1HB TYR 82 1HB TYR 82 -4.315 -16.596 -10.125 663 2HB TYR 82 2HB TYR 82 -4.864 -18.197 -9.673 664 HD1 TYR 82 HD1 TYR 82 -7.646 -18.143 -9.200 665 HD2 TYR 82 HD2 TYR 82 -5.416 -15.697 -11.969 666 HE1 TYR 82 HE1 TYR 82 -9.718 -17.692 -10.482 667 HE2 TYR 82 HE2 TYR 82 -7.479 -15.280 -13.261 668 HH TYR 82 HH TYR 82 -9.745 -15.649 -13.424 669 H LYS 83 H LYS 83 -3.323 -15.212 -8.810 670 HA LYS 83 HA LYS 83 -1.463 -16.147 -6.692 671 1HB LYS 83 1HB LYS 83 0.308 -15.144 -8.003 672 2HB LYS 83 2HB LYS 83 -0.539 -16.450 -8.827 673 1HG LYS 83 1HG LYS 83 -0.818 -15.144 -10.618 674 2HG LYS 83 2HG LYS 83 -1.883 -14.110 -9.685 675 1HD LYS 83 1HD LYS 83 -0.246 -12.681 -10.586 676 2HD LYS 83 2HD LYS 83 0.190 -12.848 -8.880 677 1HE LYS 83 1HE LYS 83 1.931 -14.526 -9.513 678 2HE LYS 83 2HE LYS 83 1.413 -14.421 -11.206 679 1HZ LYS 83 1HZ LYS 83 2.058 -12.131 -11.203 680 2HZ LYS 83 2HZ LYS 83 2.544 -12.222 -9.630 681 3HZ LYS 83 3HZ LYS 83 3.329 -13.094 -10.788 682 HA PRO 84 HA PRO 84 -3.015 -12.308 -4.947 683 1HB PRO 84 1HB PRO 84 -1.797 -12.349 -2.498 684 2HB PRO 84 2HB PRO 84 -3.133 -13.442 -2.953 685 1HG PRO 84 1HG PRO 84 -0.163 -14.026 -3.022 686 2HG PRO 84 2HG PRO 84 -1.461 -15.023 -2.304 687 1HD PRO 84 1HD PRO 84 -0.481 -15.507 -4.789 688 2HD PRO 84 2HD PRO 84 -2.226 -15.712 -4.439 689 H LYS 85 H LYS 85 -2.273 -10.526 -5.968 690 HA LYS 85 HA LYS 85 0.207 -9.309 -5.030 691 1HB LYS 85 1HB LYS 85 -0.060 -10.520 -7.704 692 2HB LYS 85 2HB LYS 85 0.245 -8.790 -7.831 693 1HG LYS 85 1HG LYS 85 1.925 -10.614 -6.076 694 2HG LYS 85 2HG LYS 85 2.295 -10.312 -7.780 695 1HD LYS 85 1HD LYS 85 2.618 -7.963 -7.433 696 2HD LYS 85 2HD LYS 85 1.952 -8.035 -5.800 697 1HE LYS 85 1HE LYS 85 3.845 -9.505 -5.095 698 2HE LYS 85 2HE LYS 85 4.555 -9.324 -6.713 699 1HZ LYS 85 1HZ LYS 85 4.005 -7.150 -4.812 700 2HZ LYS 85 2HZ LYS 85 5.485 -7.798 -5.133 701 3HZ LYS 85 3HZ LYS 85 4.679 -6.966 -6.305 702 H LEU 86 H LEU 86 0.114 -7.100 -5.029 703 HA LEU 86 HA LEU 86 -2.321 -5.777 -6.145 704 1HB LEU 86 1HB LEU 86 -0.920 -5.491 -3.475 705 2HB LEU 86 2HB LEU 86 -1.786 -4.120 -4.172 706 HG LEU 86 HG LEU 86 -3.181 -6.797 -3.909 707 1HD1 LEU 86 1HD1 LEU 86 -2.278 -6.228 -1.672 708 2HD1 LEU 86 2HD1 LEU 86 -2.997 -4.610 -1.806 709 3HD1 LEU 86 3HD1 LEU 86 -4.042 -6.033 -1.728 710 1HD2 LEU 86 1HD2 LEU 86 -4.135 -3.886 -3.909 711 2HD2 LEU 86 2HD2 LEU 86 -4.246 -4.988 -5.287 712 3HD2 LEU 86 3HD2 LEU 86 -5.181 -5.316 -3.819 713 H GLN 87 H GLN 87 -2.038 -3.728 -6.918 714 HA GLN 87 HA GLN 87 0.750 -2.851 -7.577 715 1HB GLN 87 1HB GLN 87 -1.778 -2.775 -9.281 716 2HB GLN 87 2HB GLN 87 -0.221 -2.080 -9.737 717 1HG GLN 87 1HG GLN 87 -0.699 -5.058 -9.218 718 2HG GLN 87 2HG GLN 87 -0.740 -4.278 -10.795 719 1HE2 GLN 87 2HE2 GLN 87 1.428 -5.052 -8.039 720 2HE2 GLN 87 1HE2 GLN 87 2.903 -4.954 -8.983 721 H HIS 88 H HIS 88 -2.686 -1.880 -7.188 722 HA HIS 88 HA HIS 88 -1.992 0.570 -5.788 723 1HB HIS 88 1HB HIS 88 -1.583 1.105 -8.224 724 2HB HIS 88 2HB HIS 88 -3.267 0.706 -8.541 725 HD1 HIS 88 HD1 HIS 88 -5.056 2.624 -7.867 726 HD2 HIS 88 HD2 HIS 88 -1.025 3.361 -6.871 727 HE1 HIS 88 HE1 HIS 88 -4.896 5.068 -7.190 728 H ILE 89 H ILE 89 -4.010 1.674 -5.072 729 HA ILE 89 HA ILE 89 -6.521 0.264 -5.624 730 HB ILE 89 HB ILE 89 -5.599 0.811 -2.767 731 1HG1 ILE 89 1HG1 ILE 89 -6.255 -1.810 -4.201 732 2HG1 ILE 89 2HG1 ILE 89 -4.653 -1.275 -3.677 733 1HG2 ILE 89 1HG2 ILE 89 -8.251 -0.023 -3.994 734 2HG2 ILE 89 2HG2 ILE 89 -7.917 -0.202 -2.272 735 3HG2 ILE 89 3HG2 ILE 89 -7.940 1.398 -2.998 736 1HD1 ILE 89 1HD1 ILE 89 -5.519 -1.229 -1.301 737 2HD1 ILE 89 2HD1 ILE 89 -6.947 -2.114 -1.892 738 3HD1 ILE 89 3HD1 ILE 89 -5.341 -2.822 -2.054 739 H ASP 90 H ASP 90 -8.192 1.602 -5.804 740 HA ASP 90 HA ASP 90 -7.775 4.543 -5.439 741 1HB ASP 90 1HB ASP 90 -9.361 3.003 -7.528 742 2HB ASP 90 2HB ASP 90 -9.270 4.763 -7.378 743 H PHE 91 H PHE 91 -8.558 4.198 -3.232 744 HA PHE 91 HA PHE 91 -11.132 2.994 -2.740 745 1HB PHE 91 1HB PHE 91 -9.461 4.860 -1.024 746 2HB PHE 91 2HB PHE 91 -10.853 3.946 -0.473 747 HD1 PHE 91 HD1 PHE 91 -7.264 3.860 -0.989 748 HD2 PHE 91 HD2 PHE 91 -10.777 1.417 -0.460 749 HE1 PHE 91 HE1 PHE 91 -5.862 2.040 -0.073 750 HE2 PHE 91 HE2 PHE 91 -9.362 -0.406 0.458 751 HZ PHE 91 HZ PHE 91 -6.920 -0.083 0.697 752 H VAL 92 H VAL 92 -13.002 4.129 -1.834 753 HA VAL 92 HA VAL 92 -13.205 7.036 -2.358 754 HB VAL 92 HB VAL 92 -15.138 4.901 -3.308 755 1HG1 VAL 92 1HG1 VAL 92 -15.686 7.869 -2.879 756 2HG1 VAL 92 2HG1 VAL 92 -16.691 6.791 -3.869 757 3HG1 VAL 92 3HG1 VAL 92 -16.546 6.500 -2.137 758 1HG2 VAL 92 1HG2 VAL 92 -13.355 5.706 -4.898 759 2HG2 VAL 92 2HG2 VAL 92 -14.979 6.175 -5.430 760 3HG2 VAL 92 3HG2 VAL 92 -13.930 7.368 -4.653 761 H ARG 93 H ARG 93 -14.070 8.094 -0.690 762 HA ARG 93 HA ARG 93 -14.299 6.929 1.861 763 1HB ARG 93 1HB ARG 93 -15.262 9.576 0.738 764 2HB ARG 93 2HB ARG 93 -15.399 9.136 2.450 765 1HG ARG 93 1HG ARG 93 -12.982 8.804 2.621 766 2HG ARG 93 2HG ARG 93 -12.772 9.189 0.901 767 1HD ARG 93 1HD ARG 93 -13.609 11.448 1.251 768 2HD ARG 93 2HD ARG 93 -13.974 11.093 2.955 769 HE ARG 93 HE ARG 93 -11.296 10.498 2.718 770 1HH1 ARG 93 1HH2 ARG 93 -13.244 13.404 2.099 771 2HH1 ARG 93 2HH2 ARG 93 -11.951 14.505 2.506 772 1HH2 ARG 93 1HH1 ARG 93 -9.630 11.958 3.291 773 2HH2 ARG 93 2HH1 ARG 93 -9.893 13.680 3.194 774 H ALA 94 H ALA 94 -15.966 6.208 3.106 775 HA ALA 94 HA ALA 94 -18.350 5.237 1.789 776 1HB ALA 94 1HB ALA 94 -17.233 3.988 3.593 777 2HB ALA 94 2HB ALA 94 -17.560 5.312 4.733 778 3HB ALA 94 3HB ALA 94 -18.905 4.381 4.036 Start of MODEL 6 1 H MET 1 H MET 1 -15.421 -5.475 9.721 2 HA MET 1 HA MET 1 -14.984 -3.566 7.798 3 1HB MET 1 1HB MET 1 -14.455 -1.503 8.998 4 2HB MET 1 2HB MET 1 -16.122 -1.990 9.268 5 1HG MET 1 1HG MET 1 -15.397 -1.268 11.363 6 2HG MET 1 2HG MET 1 -15.402 -3.024 11.472 7 1HE MET 1 1HE MET 1 -13.295 0.268 11.353 8 2HE MET 1 2HE MET 1 -11.621 -0.329 11.369 9 3HE MET 1 3HE MET 1 -12.622 -0.556 9.922 10 H PHE 2 H PHE 2 -12.669 -2.777 7.779 11 HA PHE 2 HA PHE 2 -10.853 -4.404 9.477 12 1HB PHE 2 1HB PHE 2 -9.950 -3.914 6.708 13 2HB PHE 2 2HB PHE 2 -9.675 -5.288 7.764 14 HD1 PHE 2 HD1 PHE 2 -11.142 -4.242 4.775 15 HD2 PHE 2 HD2 PHE 2 -11.924 -6.798 8.159 16 HE1 PHE 2 HE1 PHE 2 -13.018 -5.278 3.563 17 HE2 PHE 2 HE2 PHE 2 -13.696 -7.960 6.858 18 HZ PHE 2 HZ PHE 2 -14.229 -7.218 4.547 19 H THR 3 H THR 3 -8.874 -3.431 9.905 20 HA THR 3 HA THR 3 -8.847 -0.465 9.638 21 HB THR 3 HB THR 3 -7.435 -2.313 11.606 22 HG1 THR 3 HG1 THR 3 -9.718 -2.291 11.814 23 1HG2 THR 3 1HG2 THR 3 -6.330 -0.079 11.300 24 2HG2 THR 3 2HG2 THR 3 -7.896 0.702 11.643 25 3HG2 THR 3 3HG2 THR 3 -7.082 -0.253 12.898 26 H ILE 4 H ILE 4 -7.885 -0.283 7.571 27 HA ILE 4 HA ILE 4 -5.419 -1.706 6.916 28 HB ILE 4 HB ILE 4 -6.925 0.526 5.499 29 1HG1 ILE 4 1HG1 ILE 4 -7.289 -1.201 3.754 30 2HG1 ILE 4 2HG1 ILE 4 -6.567 -2.423 4.804 31 1HG2 ILE 4 1HG2 ILE 4 -4.445 -1.044 4.657 32 2HG2 ILE 4 2HG2 ILE 4 -5.380 0.030 3.600 33 3HG2 ILE 4 3HG2 ILE 4 -4.508 0.700 4.977 34 1HD1 ILE 4 1HD1 ILE 4 -9.080 -0.808 5.448 35 2HD1 ILE 4 2HD1 ILE 4 -9.069 -2.429 4.718 36 3HD1 ILE 4 3HD1 ILE 4 -8.458 -2.209 6.356 37 H ASN 5 H ASN 5 -3.636 -1.153 8.034 38 HA ASN 5 HA ASN 5 -3.147 1.484 9.143 39 1HB ASN 5 1HB ASN 5 -1.327 -0.922 8.714 40 2HB ASN 5 2HB ASN 5 -0.895 0.537 9.621 41 1HD2 ASN 5 2HD2 ASN 5 -0.659 -1.832 10.918 42 2HD2 ASN 5 1HD2 ASN 5 -1.931 -2.013 12.108 43 H ALA 6 H ALA 6 -2.339 3.224 8.054 44 HA ALA 6 HA ALA 6 -0.473 2.869 5.824 45 1HB ALA 6 1HB ALA 6 -2.716 2.710 4.742 46 2HB ALA 6 2HB ALA 6 -3.160 4.273 5.454 47 3HB ALA 6 3HB ALA 6 -1.849 4.179 4.263 48 H GLU 7 H GLU 7 0.323 4.983 5.059 49 HA GLU 7 HA GLU 7 -0.102 7.315 6.813 50 1HB GLU 7 1HB GLU 7 2.643 6.082 6.275 51 2HB GLU 7 2HB GLU 7 2.370 7.701 6.929 52 1HG GLU 7 1HG GLU 7 1.132 6.686 8.862 53 2HG GLU 7 2HG GLU 7 1.582 5.081 8.257 54 H VAL 8 H VAL 8 1.045 9.233 5.802 55 HA VAL 8 HA VAL 8 0.292 9.499 3.058 56 HB VAL 8 HB VAL 8 1.379 11.684 3.173 57 1HG1 VAL 8 1HG1 VAL 8 -0.914 11.370 4.058 58 2HG1 VAL 8 2HG1 VAL 8 -0.249 11.083 5.682 59 3HG1 VAL 8 3HG1 VAL 8 -0.036 12.660 4.900 60 1HG2 VAL 8 1HG2 VAL 8 3.355 11.151 4.561 61 2HG2 VAL 8 2HG2 VAL 8 2.427 12.498 5.238 62 3HG2 VAL 8 3HG2 VAL 8 2.306 10.889 5.973 63 H ARG 9 H ARG 9 1.659 9.920 1.225 64 HA ARG 9 HA ARG 9 3.826 8.007 1.025 65 1HB ARG 9 1HB ARG 9 2.574 9.971 -0.932 66 2HB ARG 9 2HB ARG 9 3.936 8.928 -1.339 67 1HG ARG 9 1HG ARG 9 2.122 7.201 -0.066 68 2HG ARG 9 2HG ARG 9 1.091 8.234 -1.040 69 1HD ARG 9 1HD ARG 9 3.564 6.830 -2.158 70 2HD ARG 9 2HD ARG 9 2.014 6.028 -2.070 71 HE ARG 9 HE ARG 9 2.829 8.134 -3.911 72 1HH1 ARG 9 1HH2 ARG 9 0.019 6.526 -2.419 73 2HH1 ARG 9 2HH2 ARG 9 -1.040 6.866 -3.758 74 1HH2 ARG 9 1HH1 ARG 9 1.410 8.582 -5.656 75 2HH2 ARG 9 2HH1 ARG 9 -0.252 8.056 -5.598 76 H LYS 10 H LYS 10 5.248 8.801 2.628 77 HA LYS 10 HA LYS 10 7.324 10.439 1.420 78 1HB LYS 10 1HB LYS 10 5.624 12.026 2.641 79 2HB LYS 10 2HB LYS 10 6.217 11.305 4.127 80 1HG LYS 10 1HG LYS 10 7.474 13.272 3.869 81 2HG LYS 10 2HG LYS 10 8.591 12.018 3.306 82 1HD LYS 10 1HD LYS 10 7.917 12.548 0.938 83 2HD LYS 10 2HD LYS 10 6.807 13.784 1.559 84 1HE LYS 10 1HE LYS 10 8.745 14.979 2.584 85 2HE LYS 10 2HE LYS 10 9.838 13.753 1.914 86 1HZ LYS 10 1HZ LYS 10 9.102 14.399 -0.273 87 2HZ LYS 10 2HZ LYS 10 8.098 15.541 0.359 88 3HZ LYS 10 3HZ LYS 10 9.729 15.692 0.532 89 H GLU 11 H GLU 11 7.550 7.808 1.764 90 HA GLU 11 HA GLU 11 8.314 7.038 4.411 91 1HB GLU 11 1HB GLU 11 8.482 4.929 3.622 92 2HB GLU 11 2HB GLU 11 7.475 5.606 2.345 93 1HG GLU 11 1HG GLU 11 9.684 5.988 1.038 94 2HG GLU 11 2HG GLU 11 10.470 5.029 2.299 95 H GLN 12 H GLN 12 10.418 6.142 4.990 96 HA GLN 12 HA GLN 12 12.675 7.867 4.317 97 1HB GLN 12 1HB GLN 12 13.907 6.502 5.936 98 2HB GLN 12 2HB GLN 12 12.491 7.298 6.597 99 1HG GLN 12 1HG GLN 12 12.497 4.353 5.769 100 2HG GLN 12 2HG GLN 12 12.968 4.922 7.370 101 1HE2 GLN 12 2HE2 GLN 12 10.891 3.086 7.044 102 2HE2 GLN 12 1HE2 GLN 12 9.388 3.864 7.494 103 H GLY 13 H GLY 13 12.242 7.157 1.992 104 1HA GLY 13 1HA GLY 13 14.292 5.126 1.237 105 2HA GLY 13 2HA GLY 13 12.667 5.067 0.514 106 H LYS 14 H LYS 14 11.985 6.752 -0.864 107 HA LYS 14 HA LYS 14 13.517 9.181 -1.101 108 1HB LYS 14 1HB LYS 14 14.829 7.623 -2.564 109 2HB LYS 14 2HB LYS 14 13.407 7.420 -3.594 110 1HG LYS 14 1HG LYS 14 13.435 9.814 -4.148 111 2HG LYS 14 2HG LYS 14 14.681 10.120 -2.922 112 1HD LYS 14 1HD LYS 14 16.280 8.715 -4.162 113 2HD LYS 14 2HD LYS 14 15.052 8.403 -5.410 114 1HE LYS 14 1HE LYS 14 14.943 10.818 -5.927 115 2HE LYS 14 2HE LYS 14 16.102 11.168 -4.631 116 1HZ LYS 14 1HZ LYS 14 16.665 9.555 -7.020 117 2HZ LYS 14 2HZ LYS 14 17.155 11.106 -6.765 118 3HZ LYS 14 3HZ LYS 14 17.733 9.896 -5.811 119 H GLY 15 H GLY 15 11.335 9.493 -0.134 120 1HA GLY 15 1HA GLY 15 9.269 10.451 -0.270 121 2HA GLY 15 2HA GLY 15 9.607 10.798 -1.973 122 H ALA 16 H ALA 16 8.997 7.904 0.078 123 HA ALA 16 HA ALA 16 7.783 6.018 -0.221 124 1HB ALA 16 1HB ALA 16 5.940 7.581 0.026 125 2HB ALA 16 2HB ALA 16 5.867 7.794 -1.741 126 3HB ALA 16 3HB ALA 16 5.526 6.207 -1.009 127 H SER 17 H SER 17 9.865 5.750 -1.675 128 HA SER 17 HA SER 17 9.040 4.154 -3.897 129 1HB SER 17 1HB SER 17 9.022 6.434 -4.978 130 2HB SER 17 2HB SER 17 10.745 6.593 -4.581 131 HG SER 17 HG SER 17 10.310 5.785 -6.707 132 H ARG 18 H ARG 18 11.054 3.285 -4.995 133 HA ARG 18 HA ARG 18 13.039 2.316 -5.056 134 1HB ARG 18 1HB ARG 18 13.721 4.669 -4.020 135 2HB ARG 18 2HB ARG 18 14.165 3.684 -2.617 136 1HG ARG 18 1HG ARG 18 15.599 2.288 -4.155 137 2HG ARG 18 2HG ARG 18 15.113 3.348 -5.497 138 1HD ARG 18 1HD ARG 18 15.990 5.312 -4.096 139 2HD ARG 18 2HD ARG 18 16.766 4.118 -3.052 140 HE ARG 18 HE ARG 18 17.561 5.035 -5.681 141 1HH1 ARG 18 1HH2 ARG 18 17.729 2.175 -3.584 142 2HH1 ARG 18 2HH2 ARG 18 19.158 1.542 -4.361 143 1HH2 ARG 18 1HH1 ARG 18 19.425 4.198 -6.681 144 2HH2 ARG 18 2HH1 ARG 18 20.125 2.700 -6.131 145 H ARG 19 H ARG 19 12.214 2.664 -1.577 146 HA ARG 19 HA ARG 19 13.055 0.098 -0.683 147 1HB ARG 19 1HB ARG 19 10.824 1.950 0.208 148 2HB ARG 19 2HB ARG 19 11.326 0.555 1.151 149 1HG ARG 19 1HG ARG 19 13.383 2.672 0.431 150 2HG ARG 19 2HG ARG 19 12.187 2.989 1.695 151 1HD ARG 19 1HD ARG 19 14.200 2.107 2.734 152 2HD ARG 19 2HD ARG 19 12.839 1.013 2.942 153 HE ARG 19 HE ARG 19 13.881 -0.600 1.698 154 1HH1 ARG 19 1HH2 ARG 19 15.608 2.461 1.198 155 2HH1 ARG 19 2HH2 ARG 19 16.940 1.719 0.351 156 1HH2 ARG 19 1HH1 ARG 19 15.613 -1.558 0.562 157 2HH2 ARG 19 2HH1 ARG 19 16.936 -0.583 -0.021 158 H LEU 20 H LEU 20 10.028 1.249 -2.116 159 HA LEU 20 HA LEU 20 8.360 -0.939 -1.561 160 1HB LEU 20 1HB LEU 20 8.272 0.827 -4.036 161 2HB LEU 20 2HB LEU 20 6.931 -0.066 -3.304 162 HG LEU 20 HG LEU 20 8.391 2.354 -2.138 163 1HD1 LEU 20 1HD1 LEU 20 6.776 2.845 -3.945 164 2HD1 LEU 20 2HD1 LEU 20 5.517 1.980 -3.033 165 3HD1 LEU 20 3HD1 LEU 20 6.230 3.461 -2.372 166 1HD2 LEU 20 1HD2 LEU 20 6.109 0.731 -0.931 167 2HD2 LEU 20 2HD2 LEU 20 7.762 0.854 -0.268 168 3HD2 LEU 20 3HD2 LEU 20 6.718 2.277 -0.308 169 H ARG 21 H ARG 21 10.759 -0.489 -4.129 170 HA ARG 21 HA ARG 21 10.118 -3.128 -5.360 171 1HB ARG 21 1HB ARG 21 11.835 -0.774 -6.200 172 2HB ARG 21 2HB ARG 21 11.737 -2.302 -7.102 173 1HG ARG 21 1HG ARG 21 9.432 -2.004 -7.618 174 2HG ARG 21 2HG ARG 21 9.232 -0.717 -6.424 175 1HD ARG 21 1HD ARG 21 9.235 0.273 -8.575 176 2HD ARG 21 2HD ARG 21 10.690 0.788 -7.730 177 HE ARG 21 HE ARG 21 10.421 -1.020 -10.072 178 1HH1 ARG 21 1HH2 ARG 21 12.703 0.395 -7.732 179 2HH1 ARG 21 2HH2 ARG 21 14.068 0.246 -8.807 180 1HH2 ARG 21 1HH1 ARG 21 12.212 -1.171 -11.456 181 2HH2 ARG 21 2HH1 ARG 21 13.789 -0.654 -10.924 182 H ALA 22 H ALA 22 10.904 -3.601 -2.936 183 HA ALA 22 HA ALA 22 13.359 -5.058 -3.243 184 1HB ALA 22 1HB ALA 22 13.379 -2.767 -1.219 185 2HB ALA 22 2HB ALA 22 14.591 -4.052 -1.354 186 3HB ALA 22 3HB ALA 22 14.392 -2.884 -2.672 187 H ALA 23 H ALA 23 11.167 -3.591 -0.798 188 HA ALA 23 HA ALA 23 10.951 -6.134 0.686 189 1HB ALA 23 1HB ALA 23 11.142 -3.963 1.857 190 2HB ALA 23 2HB ALA 23 9.609 -3.440 1.133 191 3HB ALA 23 3HB ALA 23 9.651 -4.818 2.264 192 H ASN 24 H ASN 24 7.985 -5.132 1.160 193 HA ASN 24 HA ASN 24 6.710 -5.965 -1.363 194 1HB ASN 24 1HB ASN 24 7.225 -8.066 -0.124 195 2HB ASN 24 2HB ASN 24 6.343 -7.449 1.277 196 1HD2 ASN 24 2HD2 ASN 24 4.532 -8.739 1.383 197 2HD2 ASN 24 1HD2 ASN 24 3.398 -8.960 0.071 198 H LYS 25 H LYS 25 6.423 -3.609 -1.087 199 HA LYS 25 HA LYS 25 3.893 -2.993 0.320 200 1HB LYS 25 1HB LYS 25 6.330 -1.171 0.355 201 2HB LYS 25 2HB LYS 25 4.760 -0.887 1.125 202 1HG LYS 25 1HG LYS 25 5.298 -2.976 2.571 203 2HG LYS 25 2HG LYS 25 6.931 -2.870 1.887 204 1HD LYS 25 1HD LYS 25 6.948 -0.414 2.679 205 2HD LYS 25 2HD LYS 25 5.429 -0.775 3.513 206 1HE LYS 25 1HE LYS 25 7.163 -0.975 5.140 207 2HE LYS 25 2HE LYS 25 6.634 -2.623 4.767 208 1HZ LYS 25 1HZ LYS 25 9.000 -1.286 3.657 209 2HZ LYS 25 2HZ LYS 25 9.012 -2.426 4.846 210 3HZ LYS 25 3HZ LYS 25 8.529 -2.831 3.326 211 H PHE 26 H PHE 26 2.926 -0.931 -0.623 212 HA PHE 26 HA PHE 26 3.885 -0.158 -3.256 213 1HB PHE 26 1HB PHE 26 2.190 -1.143 -4.578 214 2HB PHE 26 2HB PHE 26 2.753 -2.433 -3.554 215 HD1 PHE 26 HD1 PHE 26 -0.110 -0.701 -4.750 216 HD2 PHE 26 HD2 PHE 26 1.368 -2.803 -1.291 217 HE1 PHE 26 HE1 PHE 26 -2.432 -1.151 -4.026 218 HE2 PHE 26 HE2 PHE 26 -0.947 -3.325 -0.622 219 HZ PHE 26 HZ PHE 26 -2.860 -2.462 -1.957 220 HA PRO 27 HA PRO 27 1.411 3.360 -2.132 221 1HB PRO 27 1HB PRO 27 1.175 4.734 -4.443 222 2HB PRO 27 2HB PRO 27 2.784 4.383 -3.740 223 1HG PRO 27 1HG PRO 27 1.347 2.851 -5.924 224 2HG PRO 27 2HG PRO 27 3.022 3.474 -5.946 225 1HD PRO 27 1HD PRO 27 2.399 0.907 -5.257 226 2HD PRO 27 2HD PRO 27 3.764 1.778 -4.509 227 H ALA 28 H ALA 28 -0.722 4.286 -2.177 228 HA ALA 28 HA ALA 28 -2.696 3.369 -4.110 229 1HB ALA 28 1HB ALA 28 -2.954 2.586 -1.181 230 2HB ALA 28 2HB ALA 28 -4.262 2.518 -2.381 231 3HB ALA 28 3HB ALA 28 -2.830 1.493 -2.570 232 H ILE 29 H ILE 29 -4.813 4.536 -3.749 233 HA ILE 29 HA ILE 29 -4.317 7.233 -2.539 234 HB ILE 29 HB ILE 29 -5.317 6.555 -5.321 235 1HG1 ILE 29 1HG1 ILE 29 -2.836 8.094 -4.402 236 2HG1 ILE 29 2HG1 ILE 29 -2.825 6.439 -5.012 237 1HG2 ILE 29 1HG2 ILE 29 -5.045 9.266 -3.965 238 2HG2 ILE 29 2HG2 ILE 29 -5.474 9.000 -5.669 239 3HG2 ILE 29 3HG2 ILE 29 -6.570 8.468 -4.416 240 1HD1 ILE 29 1HD1 ILE 29 -3.813 7.297 -7.179 241 2HD1 ILE 29 2HD1 ILE 29 -3.468 8.942 -6.590 242 3HD1 ILE 29 3HD1 ILE 29 -2.148 7.790 -6.816 243 H ILE 30 H ILE 30 -6.092 8.315 -1.805 244 HA ILE 30 HA ILE 30 -8.592 6.765 -1.413 245 HB ILE 30 HB ILE 30 -7.673 9.271 0.016 246 1HG1 ILE 30 1HG1 ILE 30 -7.240 6.403 0.965 247 2HG1 ILE 30 2HG1 ILE 30 -5.975 7.524 0.438 248 1HG2 ILE 30 1HG2 ILE 30 -10.119 8.695 0.123 249 2HG2 ILE 30 2HG2 ILE 30 -9.677 7.148 0.871 250 3HG2 ILE 30 3HG2 ILE 30 -9.340 8.681 1.696 251 1HD1 ILE 30 1HD1 ILE 30 -6.715 9.120 2.262 252 2HD1 ILE 30 2HD1 ILE 30 -7.670 7.770 2.928 253 3HD1 ILE 30 3HD1 ILE 30 -5.911 7.631 2.771 254 H TYR 31 H TYR 31 -10.559 7.730 -2.080 255 HA TYR 31 HA TYR 31 -10.369 10.269 -3.660 256 1HB TYR 31 1HB TYR 31 -11.674 7.626 -4.330 257 2HB TYR 31 2HB TYR 31 -12.313 9.136 -4.969 258 HD1 TYR 31 HD1 TYR 31 -11.247 10.325 -6.741 259 HD2 TYR 31 HD2 TYR 31 -9.230 7.014 -4.845 260 HE1 TYR 31 HE1 TYR 31 -9.469 10.425 -8.459 261 HE2 TYR 31 HE2 TYR 31 -7.430 7.153 -6.535 262 HH TYR 31 HH TYR 31 -6.723 8.127 -8.496 263 H GLY 32 H GLY 32 -12.169 11.573 -3.724 264 1HA GLY 32 1HA GLY 32 -14.228 12.419 -3.040 265 2HA GLY 32 2HA GLY 32 -14.383 11.153 -1.814 266 H GLY 33 H GLY 33 -14.624 12.364 0.023 267 1HA GLY 33 1HA GLY 33 -13.806 13.346 1.941 268 2HA GLY 33 2HA GLY 33 -12.292 13.765 1.128 269 H LYS 34 H LYS 34 -12.156 15.739 0.004 270 HA LYS 34 HA LYS 34 -14.372 17.698 0.384 271 1HB LYS 34 1HB LYS 34 -12.191 18.383 1.203 272 2HB LYS 34 2HB LYS 34 -11.443 18.072 -0.363 273 1HG LYS 34 1HG LYS 34 -12.960 19.832 -1.374 274 2HG LYS 34 2HG LYS 34 -13.617 20.135 0.245 275 1HD LYS 34 1HD LYS 34 -11.365 20.784 1.038 276 2HD LYS 34 2HD LYS 34 -10.686 20.407 -0.561 277 1HE LYS 34 1HE LYS 34 -12.150 22.143 -1.587 278 2HE LYS 34 2HE LYS 34 -12.795 22.540 0.017 279 1HZ LYS 34 1HZ LYS 34 -9.988 22.793 -0.816 280 2HZ LYS 34 2HZ LYS 34 -11.056 24.032 -0.643 281 3HZ LYS 34 3HZ LYS 34 -10.582 23.166 0.675 282 H GLU 35 H GLU 35 -11.942 17.561 -2.202 283 HA GLU 35 HA GLU 35 -13.640 16.414 -4.204 284 1HB GLU 35 1HB GLU 35 -14.587 18.802 -3.893 285 2HB GLU 35 2HB GLU 35 -13.051 19.394 -4.531 286 1HG GLU 35 1HG GLU 35 -13.503 18.084 -6.643 287 2HG GLU 35 2HG GLU 35 -15.020 17.517 -5.930 288 H ALA 36 H ALA 36 -11.221 15.653 -3.214 289 HA ALA 36 HA ALA 36 -9.454 15.797 -5.471 290 1HB ALA 36 1HB ALA 36 -8.638 17.227 -2.898 291 2HB ALA 36 2HB ALA 36 -7.542 16.837 -4.239 292 3HB ALA 36 3HB ALA 36 -8.869 17.983 -4.489 293 HA PRO 37 HA PRO 37 -8.536 12.044 -3.246 294 1HB PRO 37 1HB PRO 37 -6.541 10.970 -4.764 295 2HB PRO 37 2HB PRO 37 -8.200 11.172 -5.397 296 1HG PRO 37 1HG PRO 37 -5.827 13.030 -5.768 297 2HG PRO 37 2HG PRO 37 -6.907 12.374 -7.035 298 1HD PRO 37 1HD PRO 37 -7.290 14.850 -5.936 299 2HD PRO 37 2HD PRO 37 -8.670 13.805 -6.394 300 H LEU 38 H LEU 38 -6.908 11.008 -1.910 301 HA LEU 38 HA LEU 38 -4.597 12.747 -1.100 302 1HB LEU 38 1HB LEU 38 -6.416 11.013 0.618 303 2HB LEU 38 2HB LEU 38 -4.886 11.688 1.149 304 HG LEU 38 HG LEU 38 -6.650 12.959 2.052 305 1HD1 LEU 38 1HD1 LEU 38 -4.588 14.169 1.362 306 2HD1 LEU 38 2HD1 LEU 38 -5.398 14.651 -0.147 307 3HD1 LEU 38 3HD1 LEU 38 -6.030 15.202 1.413 308 1HD2 LEU 38 1HD2 LEU 38 -8.381 12.468 0.271 309 2HD2 LEU 38 2HD2 LEU 38 -8.355 14.123 0.909 310 3HD2 LEU 38 3HD2 LEU 38 -7.657 13.790 -0.674 311 H ALA 39 H ALA 39 -2.673 11.807 -1.323 312 HA ALA 39 HA ALA 39 -2.479 9.034 -2.233 313 1HB ALA 39 1HB ALA 39 -0.433 11.260 -1.860 314 2HB ALA 39 2HB ALA 39 -0.099 9.687 -2.597 315 3HB ALA 39 3HB ALA 39 -1.241 10.798 -3.375 316 H ILE 40 H ILE 40 -1.910 7.312 -0.988 317 HA ILE 40 HA ILE 40 -0.327 7.729 1.471 318 HB ILE 40 HB ILE 40 -1.741 6.088 2.686 319 1HG1 ILE 40 1HG1 ILE 40 -4.162 5.914 1.940 320 2HG1 ILE 40 2HG1 ILE 40 -3.651 6.381 0.321 321 1HG2 ILE 40 1HG2 ILE 40 -1.946 8.539 3.003 322 2HG2 ILE 40 2HG2 ILE 40 -3.283 8.556 1.830 323 3HG2 ILE 40 3HG2 ILE 40 -3.432 7.648 3.345 324 1HD1 ILE 40 1HD1 ILE 40 -2.632 3.966 1.900 325 2HD1 ILE 40 2HD1 ILE 40 -3.905 3.924 0.666 326 3HD1 ILE 40 3HD1 ILE 40 -2.247 4.332 0.206 327 H GLU 41 H GLU 41 0.436 5.537 2.342 328 HA GLU 41 HA GLU 41 0.958 3.573 0.194 329 1HB GLU 41 1HB GLU 41 3.334 3.459 0.719 330 2HB GLU 41 2HB GLU 41 2.885 5.057 0.162 331 1HG GLU 41 1HG GLU 41 4.108 5.775 1.902 332 2HG GLU 41 2HG GLU 41 2.664 5.478 2.864 333 H LEU 42 H LEU 42 1.496 1.477 0.967 334 HA LEU 42 HA LEU 42 1.248 0.809 3.757 335 1HB LEU 42 1HB LEU 42 -0.963 -0.469 3.370 336 2HB LEU 42 2HB LEU 42 -1.010 1.262 3.653 337 HG LEU 42 HG LEU 42 -1.371 1.726 1.268 338 1HD1 LEU 42 1HD1 LEU 42 -1.264 -1.301 0.963 339 2HD1 LEU 42 2HD1 LEU 42 -1.942 -0.193 -0.253 340 3HD1 LEU 42 3HD1 LEU 42 -0.230 -0.106 0.151 341 1HD2 LEU 42 1HD2 LEU 42 -3.286 1.346 2.764 342 2HD2 LEU 42 2HD2 LEU 42 -3.627 0.801 1.114 343 3HD2 LEU 42 3HD2 LEU 42 -3.246 -0.392 2.372 344 H ASP 43 H ASP 43 0.993 -1.578 4.064 345 HA ASP 43 HA ASP 43 3.016 -2.888 2.509 346 1HB ASP 43 1HB ASP 43 1.145 -3.954 4.666 347 2HB ASP 43 2HB ASP 43 2.571 -4.790 4.036 348 H HIS 44 H HIS 44 2.836 -4.831 1.314 349 HA HIS 44 HA HIS 44 0.213 -5.365 0.002 350 1HB HIS 44 1HB HIS 44 2.282 -4.879 -1.342 351 2HB HIS 44 2HB HIS 44 3.030 -6.294 -0.632 352 HD1 HIS 44 HD1 HIS 44 0.324 -8.167 -1.071 353 HD2 HIS 44 HD2 HIS 44 2.539 -5.868 -3.804 354 HE1 HIS 44 HE1 HIS 44 -0.050 -9.209 -3.371 355 H ASP 45 H ASP 45 -0.085 -6.063 2.509 356 HA ASP 45 HA ASP 45 0.185 -9.004 2.631 357 1HB ASP 45 1HB ASP 45 2.326 -8.251 3.497 358 2HB ASP 45 2HB ASP 45 1.544 -7.072 4.552 359 H LYS 46 H LYS 46 -0.392 -6.448 5.100 360 HA LYS 46 HA LYS 46 -2.662 -7.673 6.268 361 1HB LYS 46 1HB LYS 46 -1.494 -4.890 6.216 362 2HB LYS 46 2HB LYS 46 -3.142 -5.099 6.802 363 1HG LYS 46 1HG LYS 46 -1.543 -5.097 8.608 364 2HG LYS 46 2HG LYS 46 -2.471 -6.590 8.560 365 1HD LYS 46 1HD LYS 46 0.271 -6.543 7.251 366 2HD LYS 46 2HD LYS 46 0.150 -6.508 9.012 367 1HE LYS 46 1HE LYS 46 -1.291 -8.564 8.948 368 2HE LYS 46 2HE LYS 46 -0.950 -8.701 7.212 369 1HZ LYS 46 1HZ LYS 46 1.062 -8.710 9.339 370 2HZ LYS 46 2HZ LYS 46 0.493 -10.027 8.522 371 3HZ LYS 46 3HZ LYS 46 1.349 -8.876 7.722 372 H VAL 47 H VAL 47 -2.604 -4.994 3.843 373 HA VAL 47 HA VAL 47 -5.409 -5.096 3.456 374 HB VAL 47 HB VAL 47 -3.821 -3.196 2.927 375 1HG1 VAL 47 1HG1 VAL 47 -2.291 -4.610 1.462 376 2HG1 VAL 47 2HG1 VAL 47 -3.562 -4.581 0.224 377 3HG1 VAL 47 3HG1 VAL 47 -2.824 -3.063 0.759 378 1HG2 VAL 47 1HG2 VAL 47 -6.225 -3.162 2.352 379 2HG2 VAL 47 2HG2 VAL 47 -5.235 -2.323 1.145 380 3HG2 VAL 47 3HG2 VAL 47 -5.869 -3.941 0.795 381 H MET 48 H MET 48 -2.794 -7.045 2.074 382 HA MET 48 HA MET 48 -4.198 -7.981 -0.218 383 1HB MET 48 1HB MET 48 -1.733 -8.053 0.166 384 2HB MET 48 2HB MET 48 -1.967 -9.436 1.245 385 1HG MET 48 1HG MET 48 -2.973 -9.367 -1.629 386 2HG MET 48 2HG MET 48 -1.356 -9.898 -1.194 387 1HE MET 48 1HE MET 48 -3.787 -11.404 -2.820 388 2HE MET 48 2HE MET 48 -4.541 -12.724 -1.895 389 3HE MET 48 3HE MET 48 -5.048 -11.047 -1.630 390 H ASN 49 H ASN 49 -3.902 -9.240 3.139 391 HA ASN 49 HA ASN 49 -5.585 -11.533 2.755 392 1HB ASN 49 1HB ASN 49 -4.857 -9.882 5.207 393 2HB ASN 49 2HB ASN 49 -5.966 -11.254 5.267 394 1HD2 ASN 49 2HD2 ASN 49 -2.587 -10.355 4.409 395 2HD2 ASN 49 1HD2 ASN 49 -1.939 -11.957 4.669 396 H MET 50 H MET 50 -6.295 -8.133 3.653 397 HA MET 50 HA MET 50 -9.044 -8.540 4.235 398 1HB MET 50 1HB MET 50 -7.512 -6.052 3.421 399 2HB MET 50 2HB MET 50 -9.181 -6.043 4.004 400 1HG MET 50 1HG MET 50 -8.568 -6.867 6.155 401 2HG MET 50 2HG MET 50 -6.944 -7.293 5.630 402 1HE MET 50 1HE MET 50 -7.307 -5.785 8.317 403 2HE MET 50 2HE MET 50 -5.717 -6.166 7.612 404 3HE MET 50 3HE MET 50 -6.069 -4.515 8.173 405 H GLN 51 H GLN 51 -7.448 -7.469 1.179 406 HA GLN 51 HA GLN 51 -9.838 -6.862 -0.138 407 1HB GLN 51 1HB GLN 51 -8.607 -6.862 -2.256 408 2HB GLN 51 2HB GLN 51 -7.957 -5.889 -0.945 409 1HG GLN 51 1HG GLN 51 -6.023 -6.708 -1.675 410 2HG GLN 51 2HG GLN 51 -6.412 -7.970 -0.514 411 1HE2 GLN 51 2HE2 GLN 51 -4.577 -8.184 -2.726 412 2HE2 GLN 51 1HE2 GLN 51 -5.204 -9.422 -3.795 413 H ALA 52 H ALA 52 -8.002 -9.916 -0.306 414 HA ALA 52 HA ALA 52 -8.561 -11.993 -0.872 415 1HB ALA 52 1HB ALA 52 -9.854 -11.791 1.163 416 2HB ALA 52 2HB ALA 52 -11.263 -11.184 0.279 417 3HB ALA 52 3HB ALA 52 -10.695 -12.844 0.010 418 H LYS 53 H LYS 53 -11.766 -10.628 -1.706 419 HA LYS 53 HA LYS 53 -11.387 -11.239 -4.552 420 1HB LYS 53 1HB LYS 53 -12.105 -13.376 -3.437 421 2HB LYS 53 2HB LYS 53 -13.561 -12.584 -2.878 422 1HG LYS 53 1HG LYS 53 -14.204 -13.780 -4.780 423 2HG LYS 53 2HG LYS 53 -14.067 -12.127 -5.401 424 1HD LYS 53 1HD LYS 53 -11.776 -12.669 -6.254 425 2HD LYS 53 2HD LYS 53 -11.932 -14.316 -5.630 426 1HE LYS 53 1HE LYS 53 -13.687 -13.028 -7.774 427 2HE LYS 53 2HE LYS 53 -12.359 -14.166 -8.065 428 1HZ LYS 53 1HZ LYS 53 -13.570 -15.802 -6.798 429 2HZ LYS 53 2HZ LYS 53 -14.828 -14.759 -6.592 430 3HZ LYS 53 3HZ LYS 53 -14.435 -15.285 -8.099 431 H ALA 54 H ALA 54 -14.618 -10.991 -3.188 432 HA ALA 54 HA ALA 54 -14.833 -8.171 -4.150 433 1HB ALA 54 1HB ALA 54 -16.924 -10.373 -3.935 434 2HB ALA 54 2HB ALA 54 -17.211 -8.713 -4.503 435 3HB ALA 54 3HB ALA 54 -16.155 -9.797 -5.434 436 H GLU 55 H GLU 55 -15.083 -10.277 -1.415 437 HA GLU 55 HA GLU 55 -16.916 -9.258 0.297 438 1HB GLU 55 1HB GLU 55 -15.467 -11.233 0.612 439 2HB GLU 55 2HB GLU 55 -14.071 -10.181 0.903 440 1HG GLU 55 1HG GLU 55 -15.128 -9.306 2.941 441 2HG GLU 55 2HG GLU 55 -16.597 -10.243 2.607 442 H PHE 56 H PHE 56 -13.708 -7.906 -0.365 443 HA PHE 56 HA PHE 56 -13.154 -6.231 1.603 444 1HB PHE 56 1HB PHE 56 -11.926 -6.647 -0.514 445 2HB PHE 56 2HB PHE 56 -12.944 -5.516 -1.354 446 HD1 PHE 56 HD1 PHE 56 -11.841 -3.480 -1.802 447 HD2 PHE 56 HD2 PHE 56 -10.943 -5.559 1.873 448 HE1 PHE 56 HE1 PHE 56 -9.874 -2.019 -1.446 449 HE2 PHE 56 HE2 PHE 56 -8.950 -4.134 2.188 450 HZ PHE 56 HZ PHE 56 -8.355 -2.434 0.482 451 H TYR 57 H TYR 57 -14.900 -4.951 -1.249 452 HA TYR 57 HA TYR 57 -15.740 -2.547 0.169 453 1HB TYR 57 1HB TYR 57 -16.797 -2.053 -2.087 454 2HB TYR 57 2HB TYR 57 -15.050 -2.204 -2.018 455 HD1 TYR 57 HD1 TYR 57 -13.875 -3.793 -3.341 456 HD2 TYR 57 HD2 TYR 57 -18.164 -4.067 -2.986 457 HE1 TYR 57 HE1 TYR 57 -13.915 -5.499 -5.136 458 HE2 TYR 57 HE2 TYR 57 -18.201 -5.767 -4.784 459 HH TYR 57 HH TYR 57 -16.962 -6.954 -6.322 460 H SER 58 H SER 58 -17.051 -5.706 0.042 461 HA SER 58 HA SER 58 -19.828 -5.014 -0.212 462 1HB SER 58 1HB SER 58 -18.612 -7.456 1.141 463 2HB SER 58 2HB SER 58 -20.270 -7.245 0.575 464 HG SER 58 HG SER 58 -17.928 -7.230 -1.042 465 H GLU 59 H GLU 59 -17.787 -5.833 2.656 466 HA GLU 59 HA GLU 59 -19.940 -4.865 4.430 467 1HB GLU 59 1HB GLU 59 -18.868 -6.140 6.143 468 2HB GLU 59 2HB GLU 59 -19.085 -7.136 4.702 469 1HG GLU 59 1HG GLU 59 -16.701 -6.832 4.104 470 2HG GLU 59 2HG GLU 59 -16.463 -5.792 5.519 471 H VAL 60 H VAL 60 -17.725 -3.094 3.013 472 HA VAL 60 HA VAL 60 -16.808 -1.141 3.412 473 HB VAL 60 HB VAL 60 -18.896 -1.071 5.176 474 1HG1 VAL 60 1HG1 VAL 60 -17.358 -1.625 7.162 475 2HG1 VAL 60 2HG1 VAL 60 -16.536 -0.093 6.847 476 3HG1 VAL 60 3HG1 VAL 60 -18.250 -0.108 7.269 477 1HG2 VAL 60 1HG2 VAL 60 -18.192 0.729 3.657 478 2HG2 VAL 60 2HG2 VAL 60 -18.542 1.333 5.280 479 3HG2 VAL 60 3HG2 VAL 60 -16.861 1.144 4.754 480 H LEU 61 H LEU 61 -15.070 0.058 4.630 481 HA LEU 61 HA LEU 61 -13.475 -1.416 6.517 482 1HB LEU 61 1HB LEU 61 -11.451 -1.542 5.104 483 2HB LEU 61 2HB LEU 61 -12.739 -2.611 4.576 484 HG LEU 61 HG LEU 61 -12.864 0.004 3.222 485 1HD1 LEU 61 1HD1 LEU 61 -10.423 -1.758 2.815 486 2HD1 LEU 61 2HD1 LEU 61 -10.930 -0.429 1.752 487 3HD1 LEU 61 3HD1 LEU 61 -10.428 -0.085 3.419 488 1HD2 LEU 61 1HD2 LEU 61 -12.682 -2.868 2.235 489 2HD2 LEU 61 2HD2 LEU 61 -14.175 -1.935 2.485 490 3HD2 LEU 61 3HD2 LEU 61 -13.030 -1.458 1.221 491 H THR 62 H THR 62 -11.280 -0.137 6.810 492 HA THR 62 HA THR 62 -11.815 2.793 6.638 493 HB THR 62 HB THR 62 -11.138 1.170 9.120 494 HG1 THR 62 HG1 THR 62 -13.189 1.935 9.775 495 1HG2 THR 62 1HG2 THR 62 -11.592 4.167 8.810 496 2HG2 THR 62 2HG2 THR 62 -11.371 3.275 10.337 497 3HG2 THR 62 3HG2 THR 62 -10.035 3.388 9.187 498 H ILE 63 H ILE 63 -10.107 3.905 6.023 499 HA ILE 63 HA ILE 63 -7.375 2.756 6.128 500 HB ILE 63 HB ILE 63 -8.666 5.137 4.778 501 1HG1 ILE 63 1HG1 ILE 63 -8.542 2.758 3.768 502 2HG1 ILE 63 2HG1 ILE 63 -8.043 4.127 2.765 503 1HG2 ILE 63 1HG2 ILE 63 -5.693 4.733 5.266 504 2HG2 ILE 63 2HG2 ILE 63 -6.343 5.720 3.945 505 3HG2 ILE 63 3HG2 ILE 63 -6.684 6.162 5.615 506 1HD1 ILE 63 1HD1 ILE 63 -6.034 2.475 4.347 507 2HD1 ILE 63 2HD1 ILE 63 -6.540 2.079 2.702 508 3HD1 ILE 63 3HD1 ILE 63 -5.717 3.611 3.018 509 H VAL 64 H VAL 64 -6.236 3.079 7.918 510 HA VAL 64 HA VAL 64 -6.668 5.444 9.654 511 HB VAL 64 HB VAL 64 -4.651 3.170 9.801 512 1HG1 VAL 64 1HG1 VAL 64 -5.295 5.428 11.752 513 2HG1 VAL 64 2HG1 VAL 64 -4.210 4.061 12.078 514 3HG1 VAL 64 3HG1 VAL 64 -3.784 5.245 10.838 515 1HG2 VAL 64 1HG2 VAL 64 -7.189 3.714 11.399 516 2HG2 VAL 64 2HG2 VAL 64 -6.934 2.382 10.248 517 3HG2 VAL 64 3HG2 VAL 64 -5.994 2.447 11.749 518 H VAL 65 H VAL 65 -5.905 7.275 8.689 519 HA VAL 65 HA VAL 65 -3.175 7.204 7.452 520 HB VAL 65 HB VAL 65 -4.690 7.682 5.724 521 1HG1 VAL 65 1HG1 VAL 65 -6.680 8.419 6.964 522 2HG1 VAL 65 2HG1 VAL 65 -5.901 9.981 7.313 523 3HG1 VAL 65 3HG1 VAL 65 -6.253 9.516 5.643 524 1HG2 VAL 65 1HG2 VAL 65 -2.576 8.958 5.805 525 2HG2 VAL 65 2HG2 VAL 65 -3.870 9.827 4.960 526 3HG2 VAL 65 3HG2 VAL 65 -3.419 10.302 6.605 527 H ASP 66 H ASP 66 -2.219 7.349 9.428 528 HA ASP 66 HA ASP 66 -1.462 8.189 11.349 529 1HB ASP 66 1HB ASP 66 -0.487 9.843 9.836 530 2HB ASP 66 2HB ASP 66 -1.931 10.860 9.961 531 H GLY 67 H GLY 67 -3.413 7.231 12.290 532 1HA GLY 67 1HA GLY 67 -4.797 7.386 14.129 533 2HA GLY 67 2HA GLY 67 -4.716 9.147 14.075 534 H LYS 68 H LYS 68 -5.692 9.821 11.614 535 HA LYS 68 HA LYS 68 -8.455 9.751 12.063 536 1HB LYS 68 1HB LYS 68 -6.816 10.494 9.624 537 2HB LYS 68 2HB LYS 68 -8.584 10.610 9.662 538 1HG LYS 68 1HG LYS 68 -8.482 12.076 11.643 539 2HG LYS 68 2HG LYS 68 -6.707 12.030 11.599 540 1HD LYS 68 1HD LYS 68 -6.683 13.099 9.410 541 2HD LYS 68 2HD LYS 68 -8.450 12.965 9.274 542 1HE LYS 68 1HE LYS 68 -8.743 14.468 11.212 543 2HE LYS 68 2HE LYS 68 -6.984 14.612 11.381 544 1HZ LYS 68 1HZ LYS 68 -8.550 15.447 9.036 545 2HZ LYS 68 2HZ LYS 68 -7.945 16.454 10.189 546 3HZ LYS 68 3HZ LYS 68 -6.920 15.610 9.215 547 H GLU 69 H GLU 69 -9.790 8.124 11.963 548 HA GLU 69 HA GLU 69 -9.505 5.813 10.207 549 1HB GLU 69 1HB GLU 69 -11.570 6.735 12.252 550 2HB GLU 69 2HB GLU 69 -11.753 5.267 11.293 551 1HG GLU 69 1HG GLU 69 -9.552 4.444 12.175 552 2HG GLU 69 2HG GLU 69 -9.476 5.870 13.225 553 H ILE 70 H ILE 70 -9.550 6.851 8.143 554 HA ILE 70 HA ILE 70 -11.989 8.261 7.286 555 HB ILE 70 HB ILE 70 -9.528 7.378 5.740 556 1HG1 ILE 70 1HG1 ILE 70 -8.878 8.986 7.450 557 2HG1 ILE 70 2HG1 ILE 70 -8.806 9.702 5.844 558 1HG2 ILE 70 1HG2 ILE 70 -11.858 9.190 5.015 559 2HG2 ILE 70 2HG2 ILE 70 -10.338 9.119 4.096 560 3HG2 ILE 70 3HG2 ILE 70 -11.374 7.694 4.215 561 1HD1 ILE 70 1HD1 ILE 70 -10.967 10.872 6.287 562 2HD1 ILE 70 2HD1 ILE 70 -10.982 10.180 7.930 563 3HD1 ILE 70 3HD1 ILE 70 -9.698 11.293 7.443 564 H LYS 71 H LYS 71 -13.722 6.958 7.218 565 HA LYS 71 HA LYS 71 -13.658 4.160 6.582 566 1HB LYS 71 1HB LYS 71 -15.919 6.166 6.812 567 2HB LYS 71 2HB LYS 71 -16.148 4.424 6.561 568 1HG LYS 71 1HG LYS 71 -14.916 3.911 8.619 569 2HG LYS 71 2HG LYS 71 -14.648 5.629 8.943 570 1HD LYS 71 1HD LYS 71 -17.399 4.327 8.717 571 2HD LYS 71 2HD LYS 71 -16.515 4.549 10.236 572 1HE LYS 71 1HE LYS 71 -16.459 7.013 9.847 573 2HE LYS 71 2HE LYS 71 -17.439 6.795 8.385 574 1HZ LYS 71 1HZ LYS 71 -18.252 6.057 11.105 575 2HZ LYS 71 2HZ LYS 71 -18.770 7.378 10.269 576 3HZ LYS 71 3HZ LYS 71 -19.161 5.867 9.743 577 H VAL 72 H VAL 72 -13.770 3.158 4.667 578 HA VAL 72 HA VAL 72 -14.486 4.625 2.194 579 HB VAL 72 HB VAL 72 -12.408 3.699 1.143 580 1HG1 VAL 72 1HG1 VAL 72 -11.949 5.667 3.401 581 2HG1 VAL 72 2HG1 VAL 72 -10.875 5.401 2.026 582 3HG1 VAL 72 3HG1 VAL 72 -12.496 6.057 1.757 583 1HG2 VAL 72 1HG2 VAL 72 -11.878 1.951 2.799 584 2HG2 VAL 72 2HG2 VAL 72 -10.525 3.050 2.543 585 3HG2 VAL 72 3HG2 VAL 72 -11.501 3.192 4.013 586 H LYS 73 H LYS 73 -14.448 3.139 0.310 587 HA LYS 73 HA LYS 73 -14.717 0.251 0.919 588 1HB LYS 73 1HB LYS 73 -16.586 1.865 -0.877 589 2HB LYS 73 2HB LYS 73 -16.367 0.104 -0.980 590 1HG LYS 73 1HG LYS 73 -16.959 -0.099 1.410 591 2HG LYS 73 2HG LYS 73 -17.407 1.620 1.441 592 1HD LYS 73 1HD LYS 73 -19.171 1.237 -0.197 593 2HD LYS 73 2HD LYS 73 -18.557 -0.382 -0.549 594 1HE LYS 73 1HE LYS 73 -19.029 -0.947 1.936 595 2HE LYS 73 2HE LYS 73 -19.979 0.552 1.968 596 1HZ LYS 73 1HZ LYS 73 -21.284 -0.384 0.161 597 2HZ LYS 73 2HZ LYS 73 -20.362 -1.757 0.188 598 3HZ LYS 73 3HZ LYS 73 -21.305 -1.376 1.481 599 H ALA 74 H ALA 74 -15.166 1.083 -2.361 600 HA ALA 74 HA ALA 74 -12.430 1.615 -3.063 601 1HB ALA 74 1HB ALA 74 -13.550 -1.171 -3.612 602 2HB ALA 74 2HB ALA 74 -12.088 -0.477 -4.334 603 3HB ALA 74 3HB ALA 74 -12.148 -0.787 -2.585 604 H GLN 75 H GLN 75 -12.381 2.500 -5.055 605 HA GLN 75 HA GLN 75 -14.833 2.588 -6.703 606 1HB GLN 75 1HB GLN 75 -13.009 4.525 -6.011 607 2HB GLN 75 2HB GLN 75 -12.349 4.045 -7.558 608 1HG GLN 75 1HG GLN 75 -15.294 4.779 -7.161 609 2HG GLN 75 2HG GLN 75 -14.033 5.966 -7.480 610 1HE2 GLN 75 2HE2 GLN 75 -15.025 2.751 -8.912 611 2HE2 GLN 75 1HE2 GLN 75 -14.891 3.323 -10.557 612 H ASP 76 H ASP 76 -11.317 1.992 -6.979 613 HA ASP 76 HA ASP 76 -11.731 -0.172 -8.978 614 1HB ASP 76 1HB ASP 76 -9.851 2.209 -9.296 615 2HB ASP 76 2HB ASP 76 -9.938 0.798 -10.359 616 H VAL 77 H VAL 77 -11.342 -1.343 -6.915 617 HA VAL 77 HA VAL 77 -8.665 -1.335 -5.794 618 HB VAL 77 HB VAL 77 -10.494 -2.008 -4.432 619 1HG1 VAL 77 1HG1 VAL 77 -11.998 -3.081 -6.136 620 2HG1 VAL 77 2HG1 VAL 77 -10.934 -4.506 -6.112 621 3HG1 VAL 77 3HG1 VAL 77 -11.775 -4.003 -4.647 622 1HG2 VAL 77 1HG2 VAL 77 -8.551 -4.253 -4.990 623 2HG2 VAL 77 2HG2 VAL 77 -8.367 -2.908 -3.851 624 3HG2 VAL 77 3HG2 VAL 77 -9.594 -4.146 -3.556 625 H GLN 78 H GLN 78 -7.065 -1.626 -7.294 626 HA GLN 78 HA GLN 78 -7.389 -3.592 -9.433 627 1HB GLN 78 1HB GLN 78 -6.341 -1.271 -9.673 628 2HB GLN 78 2HB GLN 78 -4.933 -1.910 -8.829 629 1HG GLN 78 1HG GLN 78 -4.521 -2.074 -11.192 630 2HG GLN 78 2HG GLN 78 -4.756 -3.716 -10.580 631 1HE2 GLN 78 2HE2 GLN 78 -6.707 -0.973 -11.932 632 2HE2 GLN 78 1HE2 GLN 78 -7.719 -1.982 -12.941 633 H ARG 79 H ARG 79 -7.724 -5.215 -7.744 634 HA ARG 79 HA ARG 79 -5.220 -6.440 -6.689 635 1HB ARG 79 1HB ARG 79 -6.625 -7.631 -5.126 636 2HB ARG 79 2HB ARG 79 -6.849 -5.889 -4.984 637 1HG ARG 79 1HG ARG 79 -9.017 -6.558 -4.826 638 2HG ARG 79 2HG ARG 79 -8.939 -6.321 -6.568 639 1HD ARG 79 1HD ARG 79 -8.464 -8.900 -6.689 640 2HD ARG 79 2HD ARG 79 -8.824 -8.916 -4.976 641 HE ARG 79 HE ARG 79 -11.038 -8.654 -5.365 642 1HH1 ARG 79 1HH2 ARG 79 -9.311 -7.893 -8.389 643 2HH1 ARG 79 2HH2 ARG 79 -10.779 -7.763 -9.322 644 1HH2 ARG 79 1HH1 ARG 79 -12.919 -8.450 -6.579 645 2HH2 ARG 79 2HH1 ARG 79 -12.857 -8.085 -8.286 646 H HIS 80 H HIS 80 -4.750 -8.550 -7.134 647 HA HIS 80 HA HIS 80 -6.330 -9.890 -9.273 648 1HB HIS 80 1HB HIS 80 -3.918 -9.237 -9.674 649 2HB HIS 80 2HB HIS 80 -3.473 -10.439 -8.461 650 HD1 HIS 80 HD1 HIS 80 -5.431 -12.805 -9.393 651 HD2 HIS 80 HD2 HIS 80 -3.080 -10.346 -11.870 652 HE1 HIS 80 HE1 HIS 80 -5.089 -14.078 -11.574 653 HA PRO 81 HA PRO 81 -7.066 -12.582 -5.617 654 1HB PRO 81 1HB PRO 81 -9.164 -14.027 -6.534 655 2HB PRO 81 2HB PRO 81 -9.318 -12.293 -6.130 656 1HG PRO 81 1HG PRO 81 -8.871 -13.508 -8.869 657 2HG PRO 81 2HG PRO 81 -10.113 -12.315 -8.400 658 1HD PRO 81 1HD PRO 81 -7.713 -11.639 -9.545 659 2HD PRO 81 2HD PRO 81 -8.524 -10.573 -8.360 660 H TYR 82 H TYR 82 -7.257 -15.066 -5.436 661 HA TYR 82 HA TYR 82 -6.466 -17.132 -5.703 662 1HB TYR 82 1HB TYR 82 -5.724 -16.578 -8.593 663 2HB TYR 82 2HB TYR 82 -6.011 -18.114 -7.803 664 HD1 TYR 82 HD1 TYR 82 -8.439 -18.371 -6.674 665 HD2 TYR 82 HD2 TYR 82 -7.466 -15.665 -9.890 666 HE1 TYR 82 HE1 TYR 82 -10.832 -18.240 -7.292 667 HE2 TYR 82 HE2 TYR 82 -9.860 -15.534 -10.500 668 HH TYR 82 HH TYR 82 -12.371 -17.439 -8.807 669 H LYS 83 H LYS 83 -4.214 -15.279 -7.806 670 HA LYS 83 HA LYS 83 -1.919 -16.249 -6.236 671 1HB LYS 83 1HB LYS 83 -0.545 -15.064 -7.878 672 2HB LYS 83 2HB LYS 83 -1.602 -16.293 -8.582 673 1HG LYS 83 1HG LYS 83 -3.114 -14.601 -9.453 674 2HG LYS 83 2HG LYS 83 -2.266 -13.314 -8.583 675 1HD LYS 83 1HD LYS 83 -1.614 -13.218 -10.872 676 2HD LYS 83 2HD LYS 83 -0.224 -13.729 -9.909 677 1HE LYS 83 1HE LYS 83 -0.552 -16.067 -10.622 678 2HE LYS 83 2HE LYS 83 -2.048 -15.623 -11.469 679 1HZ LYS 83 1HZ LYS 83 0.645 -14.650 -12.127 680 2HZ LYS 83 2HZ LYS 83 -0.190 -15.804 -12.953 681 3HZ LYS 83 3HZ LYS 83 -0.746 -14.254 -12.922 682 HA PRO 84 HA PRO 84 -2.139 -12.507 -3.808 683 1HB PRO 84 1HB PRO 84 0.226 -12.547 -2.473 684 2HB PRO 84 2HB PRO 84 -1.043 -13.771 -2.213 685 1HG PRO 84 1HG PRO 84 1.390 -14.026 -4.008 686 2HG PRO 84 2HG PRO 84 0.814 -15.175 -2.769 687 1HD PRO 84 1HD PRO 84 0.196 -15.456 -5.418 688 2HD PRO 84 2HD PRO 84 -0.969 -15.890 -4.130 689 H LYS 85 H LYS 85 -2.240 -10.983 -5.590 690 HA LYS 85 HA LYS 85 0.231 -9.433 -5.792 691 1HB LYS 85 1HB LYS 85 0.087 -11.107 -7.768 692 2HB LYS 85 2HB LYS 85 -1.255 -10.143 -8.327 693 1HG LYS 85 1HG LYS 85 0.751 -9.449 -9.475 694 2HG LYS 85 2HG LYS 85 0.136 -8.146 -8.468 695 1HD LYS 85 1HD LYS 85 2.489 -8.122 -8.365 696 2HD LYS 85 2HD LYS 85 1.950 -8.612 -6.778 697 1HE LYS 85 1HE LYS 85 2.999 -10.498 -8.958 698 2HE LYS 85 2HE LYS 85 3.968 -9.800 -7.655 699 1HZ LYS 85 1HZ LYS 85 2.432 -10.911 -6.091 700 2HZ LYS 85 2HZ LYS 85 1.809 -11.741 -7.361 701 3HZ LYS 85 3HZ LYS 85 3.393 -11.909 -6.982 702 H LEU 86 H LEU 86 -0.073 -7.325 -5.775 703 HA LEU 86 HA LEU 86 -2.731 -6.112 -6.362 704 1HB LEU 86 1HB LEU 86 -0.846 -5.768 -4.010 705 2HB LEU 86 2HB LEU 86 -1.802 -4.395 -4.544 706 HG LEU 86 HG LEU 86 -3.221 -7.017 -4.076 707 1HD1 LEU 86 1HD1 LEU 86 -2.362 -5.056 -1.912 708 2HD1 LEU 86 2HD1 LEU 86 -3.581 -6.325 -1.704 709 3HD1 LEU 86 3HD1 LEU 86 -1.898 -6.763 -2.045 710 1HD2 LEU 86 1HD2 LEU 86 -4.393 -5.021 -5.074 711 2HD2 LEU 86 2HD2 LEU 86 -5.061 -5.470 -3.493 712 3HD2 LEU 86 3HD2 LEU 86 -3.970 -4.082 -3.640 713 H GLN 87 H GLN 87 -2.594 -3.968 -7.144 714 HA GLN 87 HA GLN 87 0.067 -3.069 -8.173 715 1HB GLN 87 1HB GLN 87 -2.645 -3.094 -9.553 716 2HB GLN 87 2HB GLN 87 -1.276 -2.146 -10.133 717 1HG GLN 87 1HG GLN 87 -1.286 -5.181 -9.801 718 2HG GLN 87 2HG GLN 87 -1.561 -4.322 -11.320 719 1HE2 GLN 87 2HE2 GLN 87 0.515 -6.235 -10.980 720 2HE2 GLN 87 1HE2 GLN 87 2.042 -5.391 -11.140 721 H HIS 88 H HIS 88 -3.317 -2.081 -7.419 722 HA HIS 88 HA HIS 88 -2.419 0.283 -5.987 723 1HB HIS 88 1HB HIS 88 -2.228 0.896 -8.456 724 2HB HIS 88 2HB HIS 88 -3.963 0.611 -8.602 725 HD1 HIS 88 HD1 HIS 88 -5.507 2.656 -7.848 726 HD2 HIS 88 HD2 HIS 88 -1.436 2.946 -6.778 727 HE1 HIS 88 HE1 HIS 88 -5.148 5.004 -6.962 728 H ILE 89 H ILE 89 -4.316 1.457 -5.082 729 HA ILE 89 HA ILE 89 -6.930 0.177 -5.433 730 HB ILE 89 HB ILE 89 -5.789 0.677 -2.654 731 1HG1 ILE 89 1HG1 ILE 89 -6.323 -1.953 -4.093 732 2HG1 ILE 89 2HG1 ILE 89 -4.756 -1.316 -3.583 733 1HG2 ILE 89 1HG2 ILE 89 -8.468 -0.452 -3.593 734 2HG2 ILE 89 2HG2 ILE 89 -7.952 -0.329 -1.905 735 3HG2 ILE 89 3HG2 ILE 89 -8.214 1.129 -2.836 736 1HD1 ILE 89 1HD1 ILE 89 -5.496 -1.412 -1.207 737 2HD1 ILE 89 2HD1 ILE 89 -6.961 -2.277 -1.739 738 3HD1 ILE 89 3HD1 ILE 89 -5.372 -2.986 -2.010 739 H ASP 90 H ASP 90 -8.502 1.651 -5.543 740 HA ASP 90 HA ASP 90 -7.880 4.534 -5.031 741 1HB ASP 90 1HB ASP 90 -9.759 3.197 -6.997 742 2HB ASP 90 2HB ASP 90 -9.618 4.937 -6.732 743 H PHE 91 H PHE 91 -8.419 4.230 -2.771 744 HA PHE 91 HA PHE 91 -10.853 2.989 -1.886 745 1HB PHE 91 1HB PHE 91 -8.878 4.800 -0.451 746 2HB PHE 91 2HB PHE 91 -10.191 3.922 0.302 747 HD1 PHE 91 HD1 PHE 91 -10.139 1.478 0.539 748 HD2 PHE 91 HD2 PHE 91 -6.792 3.698 -1.029 749 HE1 PHE 91 HE1 PHE 91 -8.584 -0.296 1.313 750 HE2 PHE 91 HE2 PHE 91 -5.267 1.878 -0.335 751 HZ PHE 91 HZ PHE 91 -6.157 -0.122 0.829 752 H VAL 92 H VAL 92 -12.612 4.117 -2.992 753 HA VAL 92 HA VAL 92 -13.055 6.926 -2.577 754 HB VAL 92 HB VAL 92 -14.054 5.605 -4.404 755 1HG1 VAL 92 1HG1 VAL 92 -14.729 3.595 -3.012 756 2HG1 VAL 92 2HG1 VAL 92 -16.055 4.566 -2.349 757 3HG1 VAL 92 3HG1 VAL 92 -15.996 4.214 -4.085 758 1HG2 VAL 92 1HG2 VAL 92 -14.944 7.815 -3.780 759 2HG2 VAL 92 2HG2 VAL 92 -16.195 6.741 -4.429 760 3HG2 VAL 92 3HG2 VAL 92 -16.110 7.041 -2.685 761 H ARG 93 H ARG 93 -14.220 8.003 -1.017 762 HA ARG 93 HA ARG 93 -14.526 7.136 1.613 763 1HB ARG 93 1HB ARG 93 -15.894 9.220 -0.092 764 2HB ARG 93 2HB ARG 93 -16.444 8.958 1.560 765 1HG ARG 93 1HG ARG 93 -13.521 9.546 0.925 766 2HG ARG 93 2HG ARG 93 -14.759 10.787 1.191 767 1HD ARG 93 1HD ARG 93 -15.302 9.744 3.388 768 2HD ARG 93 2HD ARG 93 -13.865 8.717 3.219 769 HE ARG 93 HE ARG 93 -12.722 11.065 2.803 770 1HH1 ARG 93 1HH2 ARG 93 -15.099 10.246 5.329 771 2HH1 ARG 93 2HH2 ARG 93 -14.600 11.549 6.375 772 1HH2 ARG 93 1HH1 ARG 93 -12.091 12.748 4.198 773 2HH2 ARG 93 2HH1 ARG 93 -12.880 12.962 5.739 774 H ALA 94 H ALA 94 -16.086 6.154 2.819 775 HA ALA 94 HA ALA 94 -18.107 4.526 1.497 776 1HB ALA 94 1HB ALA 94 -17.545 5.081 4.442 777 2HB ALA 94 2HB ALA 94 -18.649 3.839 3.811 778 3HB ALA 94 3HB ALA 94 -16.909 3.719 3.493 Start of MODEL 7 1 H MET 1 H MET 1 -14.735 -5.101 11.193 2 HA MET 1 HA MET 1 -15.225 -4.551 9.044 3 1HB MET 1 1HB MET 1 -15.945 -2.227 8.586 4 2HB MET 1 2HB MET 1 -16.665 -2.899 10.052 5 1HG MET 1 1HG MET 1 -15.178 -1.620 11.473 6 2HG MET 1 2HG MET 1 -14.206 -1.099 10.099 7 1HE MET 1 1HE MET 1 -17.651 -0.730 11.952 8 2HE MET 1 2HE MET 1 -18.474 0.486 10.947 9 3HE MET 1 3HE MET 1 -18.213 -1.152 10.314 10 H PHE 2 H PHE 2 -12.532 -4.986 9.637 11 HA PHE 2 HA PHE 2 -10.497 -4.903 8.750 12 1HB PHE 2 1HB PHE 2 -11.601 -3.149 6.528 13 2HB PHE 2 2HB PHE 2 -10.091 -4.032 6.529 14 HD1 PHE 2 HD1 PHE 2 -13.688 -4.276 5.919 15 HD2 PHE 2 HD2 PHE 2 -10.113 -6.576 6.644 16 HE1 PHE 2 HE1 PHE 2 -14.753 -6.267 4.896 17 HE2 PHE 2 HE2 PHE 2 -11.192 -8.564 5.621 18 HZ PHE 2 HZ PHE 2 -13.506 -8.409 4.745 19 H THR 3 H THR 3 -8.563 -3.680 8.720 20 HA THR 3 HA THR 3 -8.710 -0.810 9.426 21 HB THR 3 HB THR 3 -7.363 -2.855 11.240 22 HG1 THR 3 HG1 THR 3 -9.820 -1.474 11.407 23 1HG2 THR 3 1HG2 THR 3 -7.857 0.148 11.529 24 2HG2 THR 3 2HG2 THR 3 -7.115 -0.912 12.744 25 3HG2 THR 3 3HG2 THR 3 -6.278 -0.608 11.211 26 H ILE 4 H ILE 4 -7.743 -0.469 7.408 27 HA ILE 4 HA ILE 4 -5.200 -1.767 6.739 28 HB ILE 4 HB ILE 4 -6.610 0.563 5.420 29 1HG1 ILE 4 1HG1 ILE 4 -6.989 -1.197 3.593 30 2HG1 ILE 4 2HG1 ILE 4 -6.698 -2.422 4.830 31 1HG2 ILE 4 1HG2 ILE 4 -4.165 0.484 4.981 32 2HG2 ILE 4 2HG2 ILE 4 -4.328 -1.202 4.456 33 3HG2 ILE 4 3HG2 ILE 4 -5.106 0.108 3.539 34 1HD1 ILE 4 1HD1 ILE 4 -8.826 -0.235 5.022 35 2HD1 ILE 4 2HD1 ILE 4 -9.122 -1.820 4.325 36 3HD1 ILE 4 3HD1 ILE 4 -8.712 -1.703 6.029 37 H ASN 5 H ASN 5 -3.690 -1.292 8.262 38 HA ASN 5 HA ASN 5 -3.365 1.318 9.463 39 1HB ASN 5 1HB ASN 5 -2.793 -0.723 10.668 40 2HB ASN 5 2HB ASN 5 -1.601 -1.160 9.437 41 1HD2 ASN 5 2HD2 ASN 5 -2.430 1.735 11.479 42 2HD2 ASN 5 1HD2 ASN 5 -0.774 2.075 11.933 43 H ALA 6 H ALA 6 -3.108 2.799 7.788 44 HA ALA 6 HA ALA 6 -0.718 2.525 6.014 45 1HB ALA 6 1HB ALA 6 -2.932 2.502 4.880 46 2HB ALA 6 2HB ALA 6 -3.302 4.077 5.604 47 3HB ALA 6 3HB ALA 6 -1.970 3.920 4.442 48 H GLU 7 H GLU 7 -0.207 4.896 5.188 49 HA GLU 7 HA GLU 7 -0.449 7.030 7.096 50 1HB GLU 7 1HB GLU 7 1.791 5.220 7.414 51 2HB GLU 7 2HB GLU 7 2.424 6.713 6.721 52 1HG GLU 7 1HG GLU 7 1.373 8.021 8.526 53 2HG GLU 7 2HG GLU 7 0.665 6.545 9.207 54 H VAL 8 H VAL 8 0.792 8.957 6.244 55 HA VAL 8 HA VAL 8 0.321 9.361 3.460 56 HB VAL 8 HB VAL 8 1.558 11.464 3.762 57 1HG1 VAL 8 1HG1 VAL 8 -0.824 11.291 4.420 58 2HG1 VAL 8 2HG1 VAL 8 -0.337 10.896 6.084 59 3HG1 VAL 8 3HG1 VAL 8 0.060 12.481 5.394 60 1HG2 VAL 8 1HG2 VAL 8 3.349 10.740 5.302 61 2HG2 VAL 8 2HG2 VAL 8 2.456 12.120 5.954 62 3HG2 VAL 8 3HG2 VAL 8 2.157 10.496 6.598 63 H ARG 9 H ARG 9 1.812 9.554 1.708 64 HA ARG 9 HA ARG 9 3.684 7.401 1.798 65 1HB ARG 9 1HB ARG 9 2.196 7.839 -0.081 66 2HB ARG 9 2HB ARG 9 3.139 9.279 -0.510 67 1HG ARG 9 1HG ARG 9 5.106 7.930 -0.971 68 2HG ARG 9 2HG ARG 9 4.409 6.519 -0.173 69 1HD ARG 9 1HD ARG 9 4.277 6.147 -2.537 70 2HD ARG 9 2HD ARG 9 2.651 6.358 -1.892 71 HE ARG 9 HE ARG 9 2.369 8.263 -3.136 72 1HH1 ARG 9 1HH2 ARG 9 5.834 7.480 -3.091 73 2HH1 ARG 9 2HH2 ARG 9 6.241 8.640 -4.329 74 1HH2 ARG 9 1HH1 ARG 9 2.919 9.787 -4.747 75 2HH2 ARG 9 2HH1 ARG 9 4.575 9.966 -5.267 76 H LYS 10 H LYS 10 5.139 8.038 3.369 77 HA LYS 10 HA LYS 10 7.551 9.196 2.301 78 1HB LYS 10 1HB LYS 10 6.247 11.244 3.018 79 2HB LYS 10 2HB LYS 10 6.159 10.580 4.645 80 1HG LYS 10 1HG LYS 10 7.853 12.242 4.574 81 2HG LYS 10 2HG LYS 10 8.684 10.697 4.771 82 1HD LYS 10 1HD LYS 10 9.245 10.653 2.369 83 2HD LYS 10 2HD LYS 10 8.342 12.153 2.101 84 1HE LYS 10 1HE LYS 10 10.772 11.852 3.931 85 2HE LYS 10 2HE LYS 10 10.824 12.460 2.266 86 1HZ LYS 10 1HZ LYS 10 9.374 14.243 2.942 87 2HZ LYS 10 2HZ LYS 10 9.376 13.700 4.498 88 3HZ LYS 10 3HZ LYS 10 10.772 14.242 3.815 89 H GLU 11 H GLU 11 7.605 6.750 2.779 90 HA GLU 11 HA GLU 11 7.729 5.704 5.358 91 1HB GLU 11 1HB GLU 11 9.146 3.931 4.400 92 2HB GLU 11 2HB GLU 11 7.709 4.275 3.433 93 1HG GLU 11 1HG GLU 11 9.059 5.543 1.812 94 2HG GLU 11 2HG GLU 11 10.511 5.304 2.803 95 H GLN 12 H GLN 12 10.235 7.498 3.566 96 HA GLN 12 HA GLN 12 11.530 8.311 5.975 97 1HB GLN 12 1HB GLN 12 12.422 5.796 4.947 98 2HB GLN 12 2HB GLN 12 13.635 6.961 4.422 99 1HG GLN 12 1HG GLN 12 13.880 7.749 6.772 100 2HG GLN 12 2HG GLN 12 12.599 6.628 7.272 101 1HE2 GLN 12 2HE2 GLN 12 13.981 5.519 8.741 102 2HE2 GLN 12 1HE2 GLN 12 15.246 4.448 8.172 103 H GLY 13 H GLY 13 13.784 9.386 5.219 104 1HA GLY 13 1HA GLY 13 13.177 11.500 3.384 105 2HA GLY 13 2HA GLY 13 14.755 11.095 4.076 106 H LYS 14 H LYS 14 12.707 10.840 1.318 107 HA LYS 14 HA LYS 14 12.832 9.964 -0.739 108 1HB LYS 14 1HB LYS 14 15.826 9.677 -0.274 109 2HB LYS 14 2HB LYS 14 14.969 9.444 -1.802 110 1HG LYS 14 1HG LYS 14 14.107 11.795 -1.637 111 2HG LYS 14 2HG LYS 14 15.150 12.049 -0.228 112 1HD LYS 14 1HD LYS 14 16.097 11.228 -3.019 113 2HD LYS 14 2HD LYS 14 16.113 12.881 -2.379 114 1HE LYS 14 1HE LYS 14 17.648 12.162 -0.553 115 2HE LYS 14 2HE LYS 14 17.689 10.523 -1.237 116 1HZ LYS 14 1HZ LYS 14 18.575 12.953 -2.614 117 2HZ LYS 14 2HZ LYS 14 19.548 11.813 -1.931 118 3HZ LYS 14 3HZ LYS 14 18.611 11.423 -3.228 119 H GLY 15 H GLY 15 11.480 8.315 0.054 120 1HA GLY 15 1HA GLY 15 12.311 5.874 1.197 121 2HA GLY 15 2HA GLY 15 10.814 6.160 0.284 122 H ALA 16 H ALA 16 12.098 3.713 0.154 123 HA ALA 16 HA ALA 16 14.008 3.427 -1.918 124 1HB ALA 16 1HB ALA 16 13.586 1.717 -0.202 125 2HB ALA 16 2HB ALA 16 11.960 1.431 -0.864 126 3HB ALA 16 3HB ALA 16 13.398 1.036 -1.831 127 H SER 17 H SER 17 13.836 2.883 -4.070 128 HA SER 17 HA SER 17 11.177 3.224 -5.405 129 1HB SER 17 1HB SER 17 12.784 4.997 -5.927 130 2HB SER 17 2HB SER 17 13.974 3.792 -6.462 131 HG SER 17 HG SER 17 12.699 4.693 -8.172 132 H ARG 18 H ARG 18 14.349 1.535 -5.653 133 HA ARG 18 HA ARG 18 13.597 -0.436 -7.523 134 1HB ARG 18 1HB ARG 18 15.658 -0.343 -5.287 135 2HB ARG 18 2HB ARG 18 15.528 -1.733 -6.367 136 1HG ARG 18 1HG ARG 18 15.911 1.093 -7.446 137 2HG ARG 18 2HG ARG 18 17.264 0.071 -6.930 138 1HD ARG 18 1HD ARG 18 16.549 -1.705 -8.485 139 2HD ARG 18 2HD ARG 18 15.251 -0.659 -9.099 140 HE ARG 18 HE ARG 18 17.507 0.885 -9.367 141 1HH1 ARG 18 1HH2 ARG 18 16.592 -2.351 -10.518 142 2HH1 ARG 18 2HH2 ARG 18 17.621 -2.276 -11.924 143 1HH2 ARG 18 1HH1 ARG 18 18.840 0.969 -11.226 144 2HH2 ARG 18 2HH1 ARG 18 18.895 -0.379 -12.332 145 H ARG 19 H ARG 19 13.844 -0.775 -3.953 146 HA ARG 19 HA ARG 19 12.778 -3.380 -3.861 147 1HB ARG 19 1HB ARG 19 13.951 -1.602 -2.037 148 2HB ARG 19 2HB ARG 19 12.296 -1.711 -1.452 149 1HG ARG 19 1HG ARG 19 13.491 -3.401 -0.322 150 2HG ARG 19 2HG ARG 19 12.573 -4.272 -1.564 151 1HD ARG 19 1HD ARG 19 14.629 -4.322 -3.000 152 2HD ARG 19 2HD ARG 19 15.496 -3.389 -1.764 153 HE ARG 19 HE ARG 19 14.415 -5.737 -0.577 154 1HH1 ARG 19 1HH2 ARG 19 16.954 -4.757 -2.856 155 2HH1 ARG 19 2HH2 ARG 19 17.994 -6.105 -2.477 156 1HH2 ARG 19 1HH1 ARG 19 15.794 -7.507 -0.088 157 2HH2 ARG 19 2HH1 ARG 19 17.329 -7.675 -0.899 158 H LEU 20 H LEU 20 11.219 -0.212 -3.436 159 HA LEU 20 HA LEU 20 8.621 -0.986 -2.772 160 1HB LEU 20 1HB LEU 20 9.420 1.282 -2.622 161 2HB LEU 20 2HB LEU 20 9.729 1.352 -4.360 162 HG LEU 20 HG LEU 20 7.285 1.215 -4.811 163 1HD1 LEU 20 1HD1 LEU 20 7.098 1.278 -1.766 164 2HD1 LEU 20 2HD1 LEU 20 5.744 1.620 -2.856 165 3HD1 LEU 20 3HD1 LEU 20 6.481 0.010 -2.857 166 1HD2 LEU 20 1HD2 LEU 20 8.433 3.400 -4.606 167 2HD2 LEU 20 2HD2 LEU 20 6.756 3.485 -4.039 168 3HD2 LEU 20 3HD2 LEU 20 8.087 3.416 -2.863 169 H ARG 21 H ARG 21 9.943 -0.249 -6.024 170 HA ARG 21 HA ARG 21 7.599 -0.875 -7.450 171 1HB ARG 21 1HB ARG 21 9.514 0.536 -8.201 172 2HB ARG 21 2HB ARG 21 10.472 -0.935 -8.470 173 1HG ARG 21 1HG ARG 21 8.792 -1.689 -10.151 174 2HG ARG 21 2HG ARG 21 7.790 -0.277 -9.769 175 1HD ARG 21 1HD ARG 21 9.815 1.173 -10.458 176 2HD ARG 21 2HD ARG 21 10.554 -0.316 -11.047 177 HE ARG 21 HE ARG 21 9.177 -0.294 -12.880 178 1HH1 ARG 21 1HH2 ARG 21 7.828 1.938 -10.465 179 2HH1 ARG 21 2HH2 ARG 21 6.648 2.609 -11.560 180 1HH2 ARG 21 1HH1 ARG 21 7.614 0.593 -14.302 181 2HH2 ARG 21 2HH1 ARG 21 6.522 1.835 -13.745 182 H ALA 22 H ALA 22 10.404 -2.912 -6.530 183 HA ALA 22 HA ALA 22 9.668 -5.228 -8.018 184 1HB ALA 22 1HB ALA 22 11.228 -4.977 -5.411 185 2HB ALA 22 2HB ALA 22 11.122 -6.429 -6.427 186 3HB ALA 22 3HB ALA 22 11.887 -4.957 -7.056 187 H ALA 23 H ALA 23 9.279 -4.686 -4.476 188 HA ALA 23 HA ALA 23 6.542 -5.119 -4.243 189 1HB ALA 23 1HB ALA 23 8.127 -7.711 -3.946 190 2HB ALA 23 2HB ALA 23 6.510 -7.448 -3.261 191 3HB ALA 23 3HB ALA 23 6.729 -7.424 -5.005 192 H ASN 24 H ASN 24 7.127 -3.371 -2.788 193 HA ASN 24 HA ASN 24 7.417 -4.390 -0.087 194 1HB ASN 24 1HB ASN 24 9.810 -4.157 -0.670 195 2HB ASN 24 2HB ASN 24 9.536 -2.479 -1.148 196 1HD2 ASN 24 2HD2 ASN 24 11.292 -2.087 0.458 197 2HD2 ASN 24 1HD2 ASN 24 10.841 -1.913 2.140 198 H LYS 25 H LYS 25 5.336 -3.571 0.158 199 HA LYS 25 HA LYS 25 3.841 -2.087 0.906 200 1HB LYS 25 1HB LYS 25 5.774 -1.668 2.400 201 2HB LYS 25 2HB LYS 25 6.258 -0.298 1.401 202 1HG LYS 25 1HG LYS 25 4.131 0.819 1.852 203 2HG LYS 25 2HG LYS 25 3.606 -0.483 2.913 204 1HD LYS 25 1HD LYS 25 6.231 0.979 3.407 205 2HD LYS 25 2HD LYS 25 4.696 1.675 3.905 206 1HE LYS 25 1HE LYS 25 5.711 0.556 5.771 207 2HE LYS 25 2HE LYS 25 4.177 -0.220 5.348 208 1HZ LYS 25 1HZ LYS 25 6.795 -1.233 4.482 209 2HZ LYS 25 2HZ LYS 25 6.037 -1.714 5.866 210 3HZ LYS 25 3HZ LYS 25 5.335 -2.015 4.421 211 H PHE 26 H PHE 26 3.231 -2.131 -1.426 212 HA PHE 26 HA PHE 26 4.018 -0.155 -3.237 213 1HB PHE 26 1HB PHE 26 2.514 -1.136 -4.720 214 2HB PHE 26 2HB PHE 26 2.924 -2.445 -3.639 215 HD1 PHE 26 HD1 PHE 26 0.262 -0.514 -5.095 216 HD2 PHE 26 HD2 PHE 26 1.264 -2.906 -1.645 217 HE1 PHE 26 HE1 PHE 26 -2.103 -0.471 -4.371 218 HE2 PHE 26 HE2 PHE 26 -1.106 -2.904 -0.966 219 HZ PHE 26 HZ PHE 26 -2.783 -1.637 -2.278 220 HA PRO 27 HA PRO 27 1.493 3.307 -2.093 221 1HB PRO 27 1HB PRO 27 1.416 4.820 -4.331 222 2HB PRO 27 2HB PRO 27 2.969 4.399 -3.551 223 1HG PRO 27 1HG PRO 27 1.666 2.986 -5.897 224 2HG PRO 27 2HG PRO 27 3.337 3.613 -5.791 225 1HD PRO 27 1HD PRO 27 2.718 1.014 -5.255 226 2HD PRO 27 2HD PRO 27 3.995 1.877 -4.353 227 H ALA 28 H ALA 28 -0.607 4.213 -2.162 228 HA ALA 28 HA ALA 28 -2.554 3.308 -4.193 229 1HB ALA 28 1HB ALA 28 -2.686 1.609 -2.408 230 2HB ALA 28 2HB ALA 28 -2.924 2.897 -1.204 231 3HB ALA 28 3HB ALA 28 -4.156 2.612 -2.444 232 H ILE 29 H ILE 29 -4.660 4.519 -3.861 233 HA ILE 29 HA ILE 29 -4.233 7.219 -2.678 234 HB ILE 29 HB ILE 29 -5.269 6.515 -5.444 235 1HG1 ILE 29 1HG1 ILE 29 -2.917 8.228 -4.492 236 2HG1 ILE 29 2HG1 ILE 29 -2.796 6.618 -5.208 237 1HG2 ILE 29 1HG2 ILE 29 -5.287 9.239 -4.087 238 2HG2 ILE 29 2HG2 ILE 29 -5.681 8.927 -5.787 239 3HG2 ILE 29 3HG2 ILE 29 -6.710 8.274 -4.538 240 1HD1 ILE 29 1HD1 ILE 29 -3.876 7.552 -7.307 241 2HD1 ILE 29 2HD1 ILE 29 -3.635 9.171 -6.604 242 3HD1 ILE 29 3HD1 ILE 29 -2.243 8.132 -6.922 243 H ILE 30 H ILE 30 -6.053 8.239 -1.900 244 HA ILE 30 HA ILE 30 -8.619 6.698 -1.852 245 HB ILE 30 HB ILE 30 -7.478 8.661 0.178 246 1HG1 ILE 30 1HG1 ILE 30 -8.292 5.758 0.601 247 2HG1 ILE 30 2HG1 ILE 30 -6.629 6.273 0.286 248 1HG2 ILE 30 1HG2 ILE 30 -10.236 7.373 -0.024 249 2HG2 ILE 30 2HG2 ILE 30 -9.643 8.193 1.430 250 3HG2 ILE 30 3HG2 ILE 30 -9.852 9.111 -0.039 251 1HD1 ILE 30 1HD1 ILE 30 -6.711 7.747 2.292 252 2HD1 ILE 30 2HD1 ILE 30 -8.306 7.075 2.698 253 3HD1 ILE 30 3HD1 ILE 30 -6.903 6.023 2.659 254 H TYR 31 H TYR 31 -10.412 7.809 -2.533 255 HA TYR 31 HA TYR 31 -10.192 10.714 -3.213 256 1HB TYR 31 1HB TYR 31 -11.808 8.503 -4.562 257 2HB TYR 31 2HB TYR 31 -12.102 10.214 -4.790 258 HD1 TYR 31 HD1 TYR 31 -11.011 11.418 -6.475 259 HD2 TYR 31 HD2 TYR 31 -9.419 7.607 -5.216 260 HE1 TYR 31 HE1 TYR 31 -9.387 11.478 -8.336 261 HE2 TYR 31 HE2 TYR 31 -7.759 7.706 -7.048 262 HH TYR 31 HH TYR 31 -7.614 10.434 -9.364 263 H GLY 32 H GLY 32 -12.282 11.848 -2.895 264 1HA GLY 32 1HA GLY 32 -14.485 10.498 -1.625 265 2HA GLY 32 2HA GLY 32 -13.568 11.468 -0.460 266 H GLY 33 H GLY 33 -14.158 12.121 -3.923 267 1HA GLY 33 1HA GLY 33 -15.200 13.771 -5.060 268 2HA GLY 33 2HA GLY 33 -16.423 13.745 -3.781 269 H LYS 34 H LYS 34 -16.350 15.291 -2.152 270 HA LYS 34 HA LYS 34 -15.230 17.854 -2.584 271 1HB LYS 34 1HB LYS 34 -17.215 17.166 -1.170 272 2HB LYS 34 2HB LYS 34 -16.095 16.600 0.067 273 1HG LYS 34 1HG LYS 34 -16.301 19.464 -0.998 274 2HG LYS 34 2HG LYS 34 -17.090 18.842 0.457 275 1HD LYS 34 1HD LYS 34 -14.766 18.256 1.353 276 2HD LYS 34 2HD LYS 34 -14.114 19.228 0.010 277 1HE LYS 34 1HE LYS 34 -15.440 21.178 0.772 278 2HE LYS 34 2HE LYS 34 -16.020 20.230 2.157 279 1HZ LYS 34 1HZ LYS 34 -13.750 20.005 2.869 280 2HZ LYS 34 2HZ LYS 34 -13.216 20.890 1.585 281 3HZ LYS 34 3HZ LYS 34 -14.163 21.594 2.734 282 H GLU 35 H GLU 35 -14.240 15.106 -0.484 283 HA GLU 35 HA GLU 35 -11.724 16.280 0.344 284 1HB GLU 35 1HB GLU 35 -12.903 14.580 1.668 285 2HB GLU 35 2HB GLU 35 -12.722 13.405 0.357 286 1HG GLU 35 1HG GLU 35 -10.271 13.476 0.599 287 2HG GLU 35 2HG GLU 35 -10.414 14.738 1.836 288 H ALA 36 H ALA 36 -10.442 16.886 -1.315 289 HA ALA 36 HA ALA 36 -10.153 15.641 -3.821 290 1HB ALA 36 1HB ALA 36 -9.487 17.962 -3.352 291 2HB ALA 36 2HB ALA 36 -8.216 17.398 -2.246 292 3HB ALA 36 3HB ALA 36 -8.098 17.059 -3.982 293 HA PRO 37 HA PRO 37 -7.998 12.105 -2.806 294 1HB PRO 37 1HB PRO 37 -6.421 11.483 -5.018 295 2HB PRO 37 2HB PRO 37 -8.204 11.406 -4.990 296 1HG PRO 37 1HG PRO 37 -6.471 13.717 -5.916 297 2HG PRO 37 2HG PRO 37 -7.820 12.950 -6.807 298 1HD PRO 37 1HD PRO 37 -8.230 15.208 -5.393 299 2HD PRO 37 2HD PRO 37 -9.435 13.888 -5.309 300 H LEU 38 H LEU 38 -6.028 11.008 -2.234 301 HA LEU 38 HA LEU 38 -3.535 12.491 -2.155 302 1HB LEU 38 1HB LEU 38 -3.302 12.593 0.230 303 2HB LEU 38 2HB LEU 38 -4.683 13.526 -0.308 304 HG LEU 38 HG LEU 38 -5.204 12.566 1.745 305 1HD1 LEU 38 1HD1 LEU 38 -7.062 12.571 0.095 306 2HD1 LEU 38 2HD1 LEU 38 -6.739 10.851 -0.230 307 3HD1 LEU 38 3HD1 LEU 38 -7.242 11.366 1.382 308 1HD2 LEU 38 1HD2 LEU 38 -3.550 10.678 1.691 309 2HD2 LEU 38 2HD2 LEU 38 -5.124 10.315 2.421 310 3HD2 LEU 38 3HD2 LEU 38 -4.764 9.726 0.800 311 H ALA 39 H ALA 39 -1.751 11.235 -1.441 312 HA ALA 39 HA ALA 39 -2.150 8.391 -2.145 313 1HB ALA 39 1HB ALA 39 -0.699 9.746 -3.589 314 2HB ALA 39 2HB ALA 39 0.340 10.130 -2.197 315 3HB ALA 39 3HB ALA 39 0.208 8.454 -2.775 316 H ILE 40 H ILE 40 -1.313 6.716 -0.947 317 HA ILE 40 HA ILE 40 -0.009 7.222 1.649 318 HB ILE 40 HB ILE 40 -1.704 5.727 2.746 319 1HG1 ILE 40 1HG1 ILE 40 -3.443 6.237 0.289 320 2HG1 ILE 40 2HG1 ILE 40 -2.546 4.735 0.544 321 1HG2 ILE 40 1HG2 ILE 40 -1.751 8.233 2.907 322 2HG2 ILE 40 2HG2 ILE 40 -2.975 8.240 1.620 323 3HG2 ILE 40 3HG2 ILE 40 -3.305 7.453 3.169 324 1HD1 ILE 40 1HD1 ILE 40 -3.739 4.358 2.674 325 2HD1 ILE 40 2HD1 ILE 40 -4.676 5.839 2.396 326 3HD1 ILE 40 3HD1 ILE 40 -4.844 4.466 1.289 327 H GLU 41 H GLU 41 0.461 5.101 2.744 328 HA GLU 41 HA GLU 41 1.681 3.245 0.765 329 1HB GLU 41 1HB GLU 41 2.351 3.563 3.716 330 2HB GLU 41 2HB GLU 41 3.282 2.776 2.429 331 1HG GLU 41 1HG GLU 41 3.386 5.053 1.295 332 2HG GLU 41 2HG GLU 41 2.744 5.723 2.817 333 H LEU 42 H LEU 42 0.769 1.256 0.546 334 HA LEU 42 HA LEU 42 -0.767 0.052 2.829 335 1HB LEU 42 1HB LEU 42 -1.226 0.117 -0.137 336 2HB LEU 42 2HB LEU 42 -1.547 -1.391 0.729 337 HG LEU 42 HG LEU 42 -3.101 -0.383 2.218 338 1HD1 LEU 42 1HD1 LEU 42 -2.385 2.247 0.878 339 2HD1 LEU 42 2HD1 LEU 42 -3.892 2.003 1.793 340 3HD1 LEU 42 3HD1 LEU 42 -2.334 1.844 2.603 341 1HD2 LEU 42 1HD2 LEU 42 -3.841 -1.154 -0.069 342 2HD2 LEU 42 2HD2 LEU 42 -4.887 0.071 0.661 343 3HD2 LEU 42 3HD2 LEU 42 -3.742 0.524 -0.615 344 H ASP 43 H ASP 43 0.366 -1.443 3.838 345 HA ASP 43 HA ASP 43 2.812 -2.533 2.826 346 1HB ASP 43 1HB ASP 43 2.348 -2.061 5.209 347 2HB ASP 43 2HB ASP 43 1.159 -3.375 5.227 348 H HIS 44 H HIS 44 3.077 -4.176 1.480 349 HA HIS 44 HA HIS 44 0.808 -5.604 0.436 350 1HB HIS 44 1HB HIS 44 2.720 -4.599 -0.849 351 2HB HIS 44 2HB HIS 44 3.755 -5.888 -0.250 352 HD1 HIS 44 HD1 HIS 44 2.180 -8.453 -0.823 353 HD2 HIS 44 HD2 HIS 44 2.184 -5.074 -3.326 354 HE1 HIS 44 HE1 HIS 44 1.527 -9.269 -3.165 355 H ASP 45 H ASP 45 0.576 -6.529 2.812 356 HA ASP 45 HA ASP 45 1.123 -9.389 2.538 357 1HB ASP 45 1HB ASP 45 2.229 -7.758 4.877 358 2HB ASP 45 2HB ASP 45 1.862 -9.486 5.001 359 H LYS 46 H LYS 46 0.256 -7.409 5.365 360 HA LYS 46 HA LYS 46 -2.028 -8.903 6.048 361 1HB LYS 46 1HB LYS 46 -1.348 -6.002 6.703 362 2HB LYS 46 2HB LYS 46 -2.598 -6.986 7.486 363 1HG LYS 46 1HG LYS 46 -0.835 -8.603 8.230 364 2HG LYS 46 2HG LYS 46 0.393 -7.588 7.472 365 1HD LYS 46 1HD LYS 46 0.359 -7.135 9.842 366 2HD LYS 46 2HD LYS 46 -0.151 -5.707 8.940 367 1HE LYS 46 1HE LYS 46 -1.486 -6.065 10.991 368 2HE LYS 46 2HE LYS 46 -2.499 -6.098 9.548 369 1HZ LYS 46 1HZ LYS 46 -1.495 -8.455 10.992 370 2HZ LYS 46 2HZ LYS 46 -3.027 -7.856 11.075 371 3HZ LYS 46 3HZ LYS 46 -2.468 -8.488 9.662 372 H VAL 47 H VAL 47 -1.690 -5.952 4.043 373 HA VAL 47 HA VAL 47 -4.425 -5.367 3.855 374 HB VAL 47 HB VAL 47 -2.412 -3.930 3.236 375 1HG1 VAL 47 1HG1 VAL 47 -1.511 -5.643 1.518 376 2HG1 VAL 47 2HG1 VAL 47 -2.823 -5.100 0.456 377 3HG1 VAL 47 3HG1 VAL 47 -1.592 -3.948 1.003 378 1HG2 VAL 47 1HG2 VAL 47 -4.759 -3.225 2.953 379 2HG2 VAL 47 2HG2 VAL 47 -3.720 -2.618 1.656 380 3HG2 VAL 47 3HG2 VAL 47 -4.805 -3.984 1.347 381 H MET 48 H MET 48 -2.469 -7.735 2.027 382 HA MET 48 HA MET 48 -4.427 -8.101 -0.024 383 1HB MET 48 1HB MET 48 -1.840 -8.790 0.147 384 2HB MET 48 2HB MET 48 -2.553 -10.343 0.603 385 1HG MET 48 1HG MET 48 -3.146 -8.682 -1.884 386 2HG MET 48 2HG MET 48 -2.191 -10.157 -1.839 387 1HE MET 48 1HE MET 48 -3.827 -10.572 -4.065 388 2HE MET 48 2HE MET 48 -5.590 -10.759 -3.929 389 3HE MET 48 3HE MET 48 -4.843 -9.165 -3.686 390 H ASN 49 H ASN 49 -3.591 -9.883 2.980 391 HA ASN 49 HA ASN 49 -5.543 -11.891 2.905 392 1HB ASN 49 1HB ASN 49 -4.368 -10.409 5.296 393 2HB ASN 49 2HB ASN 49 -5.359 -11.866 5.395 394 1HD2 ASN 49 2HD2 ASN 49 -3.959 -13.449 6.064 395 2HD2 ASN 49 1HD2 ASN 49 -2.450 -13.832 5.263 396 H MET 50 H MET 50 -5.795 -8.538 4.185 397 HA MET 50 HA MET 50 -8.526 -8.794 5.042 398 1HB MET 50 1HB MET 50 -6.728 -6.411 4.471 399 2HB MET 50 2HB MET 50 -8.398 -6.249 5.032 400 1HG MET 50 1HG MET 50 -7.871 -7.704 6.989 401 2HG MET 50 2HG MET 50 -6.177 -7.729 6.500 402 1HE MET 50 1HE MET 50 -4.603 -5.618 6.530 403 2HE MET 50 2HE MET 50 -5.729 -4.575 5.623 404 3HE MET 50 3HE MET 50 -5.062 -4.034 7.178 405 H GLN 51 H GLN 51 -7.062 -7.455 2.020 406 HA GLN 51 HA GLN 51 -9.550 -6.439 1.194 407 1HB GLN 51 1HB GLN 51 -8.529 -5.618 -0.753 408 2HB GLN 51 2HB GLN 51 -7.435 -5.417 0.610 409 1HG GLN 51 1HG GLN 51 -5.863 -6.291 -0.745 410 2HG GLN 51 2HG GLN 51 -6.606 -7.852 -0.382 411 1HE2 GLN 51 2HE2 GLN 51 -6.759 -5.069 -2.629 412 2HE2 GLN 51 1HE2 GLN 51 -7.200 -6.001 -4.039 413 H ALA 52 H ALA 52 -7.950 -9.463 0.336 414 HA ALA 52 HA ALA 52 -8.670 -11.223 -0.954 415 1HB ALA 52 1HB ALA 52 -10.838 -10.770 1.129 416 2HB ALA 52 2HB ALA 52 -10.534 -12.308 0.281 417 3HB ALA 52 3HB ALA 52 -9.296 -11.611 1.340 418 H LYS 53 H LYS 53 -12.083 -10.663 -0.494 419 HA LYS 53 HA LYS 53 -12.623 -9.348 -2.964 420 1HB LYS 53 1HB LYS 53 -11.939 -11.878 -3.558 421 2HB LYS 53 2HB LYS 53 -13.518 -12.246 -2.896 422 1HG LYS 53 1HG LYS 53 -13.937 -12.048 -5.185 423 2HG LYS 53 2HG LYS 53 -14.458 -10.500 -4.563 424 1HD LYS 53 1HD LYS 53 -13.234 -10.056 -6.556 425 2HD LYS 53 2HD LYS 53 -12.220 -9.513 -5.221 426 1HE LYS 53 1HE LYS 53 -10.927 -10.679 -6.966 427 2HE LYS 53 2HE LYS 53 -10.813 -11.533 -5.427 428 1HZ LYS 53 1HZ LYS 53 -12.598 -12.252 -7.653 429 2HZ LYS 53 2HZ LYS 53 -11.190 -13.013 -7.261 430 3HZ LYS 53 3HZ LYS 53 -12.466 -13.066 -6.227 431 H ALA 54 H ALA 54 -14.885 -8.932 -3.167 432 HA ALA 54 HA ALA 54 -17.045 -8.768 -2.753 433 1HB ALA 54 1HB ALA 54 -17.010 -11.214 -2.841 434 2HB ALA 54 2HB ALA 54 -16.784 -11.299 -1.081 435 3HB ALA 54 3HB ALA 54 -18.268 -10.601 -1.751 436 H GLU 55 H GLU 55 -15.855 -9.902 0.438 437 HA GLU 55 HA GLU 55 -17.547 -8.357 2.068 438 1HB GLU 55 1HB GLU 55 -14.704 -9.360 2.534 439 2HB GLU 55 2HB GLU 55 -15.787 -8.743 3.797 440 1HG GLU 55 1HG GLU 55 -17.379 -10.544 3.399 441 2HG GLU 55 2HG GLU 55 -16.428 -11.152 2.033 442 H PHE 56 H PHE 56 -14.306 -7.662 0.747 443 HA PHE 56 HA PHE 56 -14.093 -5.077 2.020 444 1HB PHE 56 1HB PHE 56 -12.281 -6.813 1.453 445 2HB PHE 56 2HB PHE 56 -12.369 -6.199 -0.193 446 HD1 PHE 56 HD1 PHE 56 -11.573 -5.414 3.345 447 HD2 PHE 56 HD2 PHE 56 -11.182 -4.149 -0.759 448 HE1 PHE 56 HE1 PHE 56 -9.557 -4.113 3.935 449 HE2 PHE 56 HE2 PHE 56 -9.218 -2.778 -0.147 450 HZ PHE 56 HZ PHE 56 -8.364 -2.795 2.184 451 H TYR 57 H TYR 57 -16.409 -5.002 0.613 452 HA TYR 57 HA TYR 57 -16.021 -2.749 -1.190 453 1HB TYR 57 1HB TYR 57 -17.436 -5.279 -2.148 454 2HB TYR 57 2HB TYR 57 -17.550 -3.706 -2.914 455 HD1 TYR 57 HD1 TYR 57 -15.379 -6.636 -2.365 456 HD2 TYR 57 HD2 TYR 57 -15.691 -2.758 -4.214 457 HE1 TYR 57 HE1 TYR 57 -13.584 -7.254 -3.966 458 HE2 TYR 57 HE2 TYR 57 -13.917 -3.380 -5.819 459 HH TYR 57 HH TYR 57 -12.538 -5.048 -6.580 460 H SER 58 H SER 58 -18.304 -5.238 0.073 461 HA SER 58 HA SER 58 -20.491 -3.371 0.366 462 1HB SER 58 1HB SER 58 -21.547 -5.336 1.535 463 2HB SER 58 2HB SER 58 -20.988 -5.638 -0.121 464 HG SER 58 HG SER 58 -19.709 -6.391 2.284 465 H GLU 59 H GLU 59 -18.142 -4.908 2.656 466 HA GLU 59 HA GLU 59 -19.512 -3.744 4.934 467 1HB GLU 59 1HB GLU 59 -16.920 -5.316 4.837 468 2HB GLU 59 2HB GLU 59 -17.937 -5.005 6.253 469 1HG GLU 59 1HG GLU 59 -19.808 -6.250 5.084 470 2HG GLU 59 2HG GLU 59 -18.625 -6.735 3.852 471 H VAL 60 H VAL 60 -18.663 -1.634 3.407 472 HA VAL 60 HA VAL 60 -17.171 0.170 3.299 473 HB VAL 60 HB VAL 60 -17.961 1.656 5.169 474 1HG1 VAL 60 1HG1 VAL 60 -19.151 1.442 3.030 475 2HG1 VAL 60 2HG1 VAL 60 -20.082 0.070 3.669 476 3HG1 VAL 60 3HG1 VAL 60 -20.275 1.684 4.377 477 1HG2 VAL 60 1HG2 VAL 60 -18.263 -0.130 6.940 478 2HG2 VAL 60 2HG2 VAL 60 -19.701 0.865 6.671 479 3HG2 VAL 60 3HG2 VAL 60 -19.624 -0.771 6.001 480 H LEU 61 H LEU 61 -15.188 -1.224 3.532 481 HA LEU 61 HA LEU 61 -13.797 -1.476 5.874 482 1HB LEU 61 1HB LEU 61 -11.748 -1.733 4.460 483 2HB LEU 61 2HB LEU 61 -13.099 -2.806 4.149 484 HG LEU 61 HG LEU 61 -11.861 -2.099 2.171 485 1HD1 LEU 61 1HD1 LEU 61 -14.342 -2.792 2.113 486 2HD1 LEU 61 2HD1 LEU 61 -14.666 -1.084 1.750 487 3HD1 LEU 61 3HD1 LEU 61 -13.618 -2.011 0.691 488 1HD2 LEU 61 1HD2 LEU 61 -11.417 0.249 2.793 489 2HD2 LEU 61 2HD2 LEU 61 -12.090 0.048 1.158 490 3HD2 LEU 61 3HD2 LEU 61 -13.142 0.604 2.462 491 H THR 62 H THR 62 -11.988 -0.486 6.873 492 HA THR 62 HA THR 62 -11.994 2.483 6.556 493 HB THR 62 HB THR 62 -11.829 0.820 9.091 494 HG1 THR 62 HG1 THR 62 -13.907 1.639 9.407 495 1HG2 THR 62 1HG2 THR 62 -12.024 3.841 8.652 496 2HG2 THR 62 2HG2 THR 62 -12.172 3.016 10.218 497 3HG2 THR 62 3HG2 THR 62 -10.635 2.973 9.345 498 H ILE 63 H ILE 63 -10.158 3.561 6.465 499 HA ILE 63 HA ILE 63 -7.583 2.084 6.727 500 HB ILE 63 HB ILE 63 -8.200 4.565 5.088 501 1HG1 ILE 63 1HG1 ILE 63 -7.899 1.719 4.032 502 2HG1 ILE 63 2HG1 ILE 63 -9.441 2.564 4.199 503 1HG2 ILE 63 1HG2 ILE 63 -5.796 4.167 5.861 504 2HG2 ILE 63 2HG2 ILE 63 -5.809 2.670 4.930 505 3HG2 ILE 63 3HG2 ILE 63 -5.998 4.231 4.118 506 1HD1 ILE 63 1HD1 ILE 63 -8.630 4.345 2.685 507 2HD1 ILE 63 2HD1 ILE 63 -7.144 3.397 2.398 508 3HD1 ILE 63 3HD1 ILE 63 -8.721 2.731 1.961 509 H VAL 64 H VAL 64 -6.258 2.769 8.300 510 HA VAL 64 HA VAL 64 -6.732 5.337 9.716 511 HB VAL 64 HB VAL 64 -4.707 3.108 10.169 512 1HG1 VAL 64 1HG1 VAL 64 -5.379 5.589 11.814 513 2HG1 VAL 64 2HG1 VAL 64 -4.305 4.273 12.330 514 3HG1 VAL 64 3HG1 VAL 64 -3.852 5.288 10.955 515 1HG2 VAL 64 1HG2 VAL 64 -7.245 3.834 11.687 516 2HG2 VAL 64 2HG2 VAL 64 -7.015 2.380 10.690 517 3HG2 VAL 64 3HG2 VAL 64 -6.066 2.597 12.167 518 H VAL 65 H VAL 65 -5.984 7.040 8.472 519 HA VAL 65 HA VAL 65 -3.274 6.787 7.215 520 HB VAL 65 HB VAL 65 -3.811 8.572 5.749 521 1HG1 VAL 65 1HG1 VAL 65 -4.335 6.214 5.127 522 2HG1 VAL 65 2HG1 VAL 65 -6.017 6.481 5.654 523 3HG1 VAL 65 3HG1 VAL 65 -5.356 7.402 4.298 524 1HG2 VAL 65 1HG2 VAL 65 -6.618 8.607 6.933 525 2HG2 VAL 65 2HG2 VAL 65 -5.474 9.975 6.855 526 3HG2 VAL 65 3HG2 VAL 65 -6.146 9.326 5.380 527 H ASP 66 H ASP 66 -2.142 7.063 9.099 528 HA ASP 66 HA ASP 66 -1.251 8.066 10.898 529 1HB ASP 66 1HB ASP 66 -0.372 9.547 9.136 530 2HB ASP 66 2HB ASP 66 -1.779 10.601 9.285 531 H GLY 67 H GLY 67 -3.285 7.234 11.940 532 1HA GLY 67 1HA GLY 67 -4.604 7.591 13.798 533 2HA GLY 67 2HA GLY 67 -4.443 9.339 13.619 534 H LYS 68 H LYS 68 -5.402 9.744 11.011 535 HA LYS 68 HA LYS 68 -8.165 9.933 11.553 536 1HB LYS 68 1HB LYS 68 -6.663 10.225 8.931 537 2HB LYS 68 2HB LYS 68 -8.358 10.666 9.200 538 1HG LYS 68 1HG LYS 68 -7.699 12.331 10.886 539 2HG LYS 68 2HG LYS 68 -6.003 11.842 10.741 540 1HD LYS 68 1HD LYS 68 -6.344 13.877 9.501 541 2HD LYS 68 2HD LYS 68 -5.957 12.558 8.384 542 1HE LYS 68 1HE LYS 68 -8.341 12.366 7.749 543 2HE LYS 68 2HE LYS 68 -8.779 13.585 8.963 544 1HZ LYS 68 1HZ LYS 68 -7.064 14.018 6.618 545 2HZ LYS 68 2HZ LYS 68 -8.635 14.486 6.763 546 3HZ LYS 68 3HZ LYS 68 -7.484 15.165 7.726 547 H GLU 69 H GLU 69 -9.527 8.245 11.694 548 HA GLU 69 HA GLU 69 -9.328 5.829 10.083 549 1HB GLU 69 1HB GLU 69 -11.454 6.884 11.993 550 2HB GLU 69 2HB GLU 69 -11.497 5.302 11.192 551 1HG GLU 69 1HG GLU 69 -9.344 4.698 12.257 552 2HG GLU 69 2HG GLU 69 -9.326 6.253 13.111 553 H ILE 70 H ILE 70 -9.312 6.891 7.967 554 HA ILE 70 HA ILE 70 -11.771 8.179 7.019 555 HB ILE 70 HB ILE 70 -9.184 7.334 5.667 556 1HG1 ILE 70 1HG1 ILE 70 -10.474 9.965 6.513 557 2HG1 ILE 70 2HG1 ILE 70 -8.934 9.276 7.022 558 1HG2 ILE 70 1HG2 ILE 70 -11.744 8.422 4.443 559 2HG2 ILE 70 2HG2 ILE 70 -10.168 8.515 3.634 560 3HG2 ILE 70 3HG2 ILE 70 -10.843 6.951 4.020 561 1HD1 ILE 70 1HD1 ILE 70 -8.202 9.543 4.548 562 2HD1 ILE 70 2HD1 ILE 70 -9.639 10.571 4.371 563 3HD1 ILE 70 3HD1 ILE 70 -8.378 11.019 5.526 564 H LYS 71 H LYS 71 -13.530 6.971 6.923 565 HA LYS 71 HA LYS 71 -13.401 4.117 6.298 566 1HB LYS 71 1HB LYS 71 -14.741 4.936 8.160 567 2HB LYS 71 2HB LYS 71 -15.774 5.845 7.040 568 1HG LYS 71 1HG LYS 71 -16.615 3.824 6.043 569 2HG LYS 71 2HG LYS 71 -15.288 2.862 6.699 570 1HD LYS 71 1HD LYS 71 -17.318 2.364 7.910 571 2HD LYS 71 2HD LYS 71 -16.124 3.122 8.975 572 1HE LYS 71 1HE LYS 71 -17.311 5.302 8.765 573 2HE LYS 71 2HE LYS 71 -18.495 4.547 7.675 574 1HZ LYS 71 1HZ LYS 71 -18.002 3.806 10.476 575 2HZ LYS 71 2HZ LYS 71 -19.280 4.682 9.920 576 3HZ LYS 71 3HZ LYS 71 -19.112 3.103 9.480 577 H VAL 72 H VAL 72 -13.595 3.354 4.332 578 HA VAL 72 HA VAL 72 -14.803 4.951 2.131 579 HB VAL 72 HB VAL 72 -12.811 4.007 0.788 580 1HG1 VAL 72 1HG1 VAL 72 -12.547 6.233 2.818 581 2HG1 VAL 72 2HG1 VAL 72 -11.269 5.865 1.640 582 3HG1 VAL 72 3HG1 VAL 72 -12.864 6.359 1.085 583 1HG2 VAL 72 1HG2 VAL 72 -12.024 2.492 2.676 584 2HG2 VAL 72 2HG2 VAL 72 -10.806 3.503 1.898 585 3HG2 VAL 72 3HG2 VAL 72 -11.436 3.949 3.495 586 H LYS 73 H LYS 73 -14.577 3.263 0.071 587 HA LYS 73 HA LYS 73 -15.855 0.720 0.924 588 1HB LYS 73 1HB LYS 73 -17.435 2.738 0.710 589 2HB LYS 73 2HB LYS 73 -17.182 2.615 -1.037 590 1HG LYS 73 1HG LYS 73 -18.080 0.324 -0.996 591 2HG LYS 73 2HG LYS 73 -18.154 0.359 0.784 592 1HD LYS 73 1HD LYS 73 -19.781 2.283 0.592 593 2HD LYS 73 2HD LYS 73 -19.791 2.035 -1.163 594 1HE LYS 73 1HE LYS 73 -20.631 0.026 0.989 595 2HE LYS 73 2HE LYS 73 -21.707 0.905 -0.109 596 1HZ LYS 73 1HZ LYS 73 -20.625 -0.252 -1.935 597 2HZ LYS 73 2HZ LYS 73 -19.708 -1.112 -0.861 598 3HZ LYS 73 3HZ LYS 73 -21.346 -1.294 -0.879 599 H ALA 74 H ALA 74 -13.450 1.935 -0.961 600 HA ALA 74 HA ALA 74 -12.192 1.070 -2.607 601 1HB ALA 74 1HB ALA 74 -12.412 -1.023 -1.373 602 2HB ALA 74 2HB ALA 74 -13.831 -1.474 -2.339 603 3HB ALA 74 3HB ALA 74 -12.258 -1.280 -3.120 604 H GLN 75 H GLN 75 -12.501 2.314 -4.396 605 HA GLN 75 HA GLN 75 -15.025 2.167 -5.863 606 1HB GLN 75 1HB GLN 75 -13.645 4.246 -5.148 607 2HB GLN 75 2HB GLN 75 -12.678 3.966 -6.576 608 1HG GLN 75 1HG GLN 75 -15.710 4.341 -6.512 609 2HG GLN 75 2HG GLN 75 -14.527 5.572 -6.960 610 1HE2 GLN 75 2HE2 GLN 75 -16.748 3.604 -8.325 611 2HE2 GLN 75 1HE2 GLN 75 -15.978 3.302 -9.868 612 H ASP 76 H ASP 76 -11.575 2.208 -6.877 613 HA ASP 76 HA ASP 76 -12.094 0.067 -8.879 614 1HB ASP 76 1HB ASP 76 -12.106 2.163 -10.124 615 2HB ASP 76 2HB ASP 76 -10.624 2.704 -9.311 616 H VAL 77 H VAL 77 -10.663 -1.544 -8.605 617 HA VAL 77 HA VAL 77 -8.143 -1.078 -7.121 618 HB VAL 77 HB VAL 77 -8.838 -2.933 -5.547 619 1HG1 VAL 77 1HG1 VAL 77 -8.839 -0.433 -5.018 620 2HG1 VAL 77 2HG1 VAL 77 -10.588 -0.455 -5.271 621 3HG1 VAL 77 3HG1 VAL 77 -9.871 -1.444 -3.991 622 1HG2 VAL 77 1HG2 VAL 77 -10.854 -3.778 -6.772 623 2HG2 VAL 77 2HG2 VAL 77 -11.200 -3.312 -5.104 624 3HG2 VAL 77 3HG2 VAL 77 -11.679 -2.249 -6.437 625 H GLN 78 H GLN 78 -6.565 -2.084 -8.131 626 HA GLN 78 HA GLN 78 -7.170 -4.205 -10.087 627 1HB GLN 78 1HB GLN 78 -4.649 -2.668 -9.385 628 2HB GLN 78 2HB GLN 78 -4.709 -3.993 -10.550 629 1HG GLN 78 1HG GLN 78 -4.813 -1.881 -11.705 630 2HG GLN 78 2HG GLN 78 -6.292 -2.810 -11.951 631 1HE2 GLN 78 2HE2 GLN 78 -8.164 -1.631 -11.785 632 2HE2 GLN 78 1HE2 GLN 78 -8.329 -0.125 -10.916 633 H ARG 79 H ARG 79 -7.985 -5.295 -7.942 634 HA ARG 79 HA ARG 79 -5.975 -6.752 -6.457 635 1HB ARG 79 1HB ARG 79 -7.693 -7.791 -5.333 636 2HB ARG 79 2HB ARG 79 -8.315 -6.164 -5.639 637 1HG ARG 79 1HG ARG 79 -9.087 -8.714 -7.127 638 2HG ARG 79 2HG ARG 79 -10.008 -7.910 -5.864 639 1HD ARG 79 1HD ARG 79 -10.292 -5.912 -7.220 640 2HD ARG 79 2HD ARG 79 -9.366 -6.600 -8.551 641 HE ARG 79 HE ARG 79 -12.108 -7.162 -7.814 642 1HH1 ARG 79 1HH2 ARG 79 -9.239 -8.483 -9.470 643 2HH1 ARG 79 2HH2 ARG 79 -10.177 -9.468 -10.562 644 1HH2 ARG 79 1HH1 ARG 79 -13.312 -8.467 -9.263 645 2HH2 ARG 79 2HH1 ARG 79 -12.499 -9.473 -10.434 646 H HIS 80 H HIS 80 -5.105 -8.724 -6.914 647 HA HIS 80 HA HIS 80 -6.011 -10.149 -9.377 648 1HB HIS 80 1HB HIS 80 -3.828 -9.029 -9.558 649 2HB HIS 80 2HB HIS 80 -3.212 -10.038 -8.249 650 HD1 HIS 80 HD1 HIS 80 -4.770 -12.765 -9.483 651 HD2 HIS 80 HD2 HIS 80 -2.132 -10.060 -11.347 652 HE1 HIS 80 HE1 HIS 80 -3.741 -13.992 -11.458 653 HA PRO 81 HA PRO 81 -6.717 -13.019 -5.845 654 1HB PRO 81 1HB PRO 81 -8.554 -14.665 -6.991 655 2HB PRO 81 2HB PRO 81 -8.967 -13.017 -6.438 656 1HG PRO 81 1HG PRO 81 -8.229 -13.885 -9.249 657 2HG PRO 81 2HG PRO 81 -9.654 -12.929 -8.758 658 1HD PRO 81 1HD PRO 81 -7.382 -11.786 -9.694 659 2HD PRO 81 2HD PRO 81 -8.317 -10.995 -8.386 660 H TYR 82 H TYR 82 -6.220 -15.279 -5.565 661 HA TYR 82 HA TYR 82 -5.155 -17.209 -5.828 662 1HB TYR 82 1HB TYR 82 -4.834 -16.805 -8.808 663 2HB TYR 82 2HB TYR 82 -4.889 -18.299 -7.893 664 HD1 TYR 82 HD1 TYR 82 -7.205 -18.483 -6.379 665 HD2 TYR 82 HD2 TYR 82 -6.737 -16.330 -10.090 666 HE1 TYR 82 HE1 TYR 82 -9.660 -18.480 -6.691 667 HE2 TYR 82 HE2 TYR 82 -9.191 -16.340 -10.401 668 HH TYR 82 HH TYR 82 -11.419 -17.841 -8.032 669 H LYS 83 H LYS 83 -3.605 -14.992 -8.190 670 HA LYS 83 HA LYS 83 -0.957 -15.455 -6.891 671 1HB LYS 83 1HB LYS 83 -1.587 -14.489 -9.698 672 2HB LYS 83 2HB LYS 83 0.011 -14.741 -8.977 673 1HG LYS 83 1HG LYS 83 -0.641 -17.188 -8.630 674 2HG LYS 83 2HG LYS 83 -2.138 -16.842 -9.509 675 1HD LYS 83 1HD LYS 83 -0.711 -17.799 -11.101 676 2HD LYS 83 2HD LYS 83 -0.720 -16.065 -11.470 677 1HE LYS 83 1HE LYS 83 1.480 -15.820 -10.317 678 2HE LYS 83 2HE LYS 83 1.433 -17.536 -9.862 679 1HZ LYS 83 1HZ LYS 83 1.476 -18.079 -12.187 680 2HZ LYS 83 2HZ LYS 83 1.532 -16.486 -12.601 681 3HZ LYS 83 3HZ LYS 83 2.781 -17.167 -11.773 682 HA PRO 84 HA PRO 84 -2.312 -11.285 -5.628 683 1HB PRO 84 1HB PRO 84 -0.528 -10.775 -3.622 684 2HB PRO 84 2HB PRO 84 -1.875 -11.940 -3.449 685 1HG PRO 84 1HG PRO 84 0.993 -12.563 -4.189 686 2HG PRO 84 2HG PRO 84 0.006 -13.327 -2.906 687 1HD PRO 84 1HD PRO 84 0.265 -14.445 -5.356 688 2HD PRO 84 2HD PRO 84 -1.315 -14.495 -4.514 689 H LYS 85 H LYS 85 -1.543 -9.113 -5.881 690 HA LYS 85 HA LYS 85 1.099 -8.688 -7.043 691 1HB LYS 85 1HB LYS 85 -0.762 -9.578 -8.831 692 2HB LYS 85 2HB LYS 85 -1.174 -7.866 -8.837 693 1HG LYS 85 1HG LYS 85 0.396 -8.133 -10.573 694 2HG LYS 85 2HG LYS 85 1.342 -7.432 -9.246 695 1HD LYS 85 1HD LYS 85 2.143 -9.772 -8.666 696 2HD LYS 85 2HD LYS 85 1.140 -10.404 -9.975 697 1HE LYS 85 1HE LYS 85 3.422 -10.289 -10.731 698 2HE LYS 85 2HE LYS 85 2.478 -9.079 -11.618 699 1HZ LYS 85 1HZ LYS 85 4.195 -8.555 -9.285 700 2HZ LYS 85 2HZ LYS 85 4.583 -8.235 -10.852 701 3HZ LYS 85 3HZ LYS 85 3.352 -7.418 -10.127 702 H LEU 86 H LEU 86 -2.151 -7.253 -6.548 703 HA LEU 86 HA LEU 86 -2.821 -5.151 -6.008 704 1HB LEU 86 1HB LEU 86 -0.371 -5.355 -4.218 705 2HB LEU 86 2HB LEU 86 -1.653 -4.161 -4.037 706 HG LEU 86 HG LEU 86 -2.136 -7.166 -3.849 707 1HD1 LEU 86 1HD1 LEU 86 -1.601 -5.077 -1.701 708 2HD1 LEU 86 2HD1 LEU 86 -2.234 -6.694 -1.370 709 3HD1 LEU 86 3HD1 LEU 86 -0.622 -6.508 -2.069 710 1HD2 LEU 86 1HD2 LEU 86 -3.814 -4.736 -3.045 711 2HD2 LEU 86 2HD2 LEU 86 -4.181 -5.860 -4.374 712 3HD2 LEU 86 3HD2 LEU 86 -4.218 -6.430 -2.703 713 H GLN 87 H GLN 87 -2.190 -4.597 -8.295 714 HA GLN 87 HA GLN 87 0.270 -3.223 -8.798 715 1HB GLN 87 1HB GLN 87 -2.353 -3.156 -10.347 716 2HB GLN 87 2HB GLN 87 -0.781 -2.565 -10.914 717 1HG GLN 87 1HG GLN 87 0.157 -4.882 -10.598 718 2HG GLN 87 2HG GLN 87 -1.464 -5.449 -10.170 719 1HE2 GLN 87 2HE2 GLN 87 0.396 -3.830 -12.792 720 2HE2 GLN 87 1HE2 GLN 87 -0.587 -4.461 -14.097 721 H HIS 88 H HIS 88 -3.091 -2.001 -8.318 722 HA HIS 88 HA HIS 88 -2.113 0.193 -6.764 723 1HB HIS 88 1HB HIS 88 -1.828 0.998 -9.198 724 2HB HIS 88 2HB HIS 88 -3.590 0.988 -9.302 725 HD1 HIS 88 HD1 HIS 88 -4.789 3.105 -8.173 726 HD2 HIS 88 HD2 HIS 88 -0.706 2.621 -7.235 727 HE1 HIS 88 HE1 HIS 88 -4.085 5.156 -6.846 728 H ILE 89 H ILE 89 -3.917 1.470 -5.874 729 HA ILE 89 HA ILE 89 -6.559 0.128 -5.831 730 HB ILE 89 HB ILE 89 -4.633 0.573 -3.526 731 1HG1 ILE 89 1HG1 ILE 89 -4.297 -1.588 -4.595 732 2HG1 ILE 89 2HG1 ILE 89 -4.933 -1.750 -2.963 733 1HG2 ILE 89 1HG2 ILE 89 -7.586 -0.071 -3.263 734 2HG2 ILE 89 2HG2 ILE 89 -6.379 -0.145 -1.973 735 3HG2 ILE 89 3HG2 ILE 89 -6.751 1.399 -2.752 736 1HD1 ILE 89 1HD1 ILE 89 -7.170 -2.263 -3.828 737 2HD1 ILE 89 2HD1 ILE 89 -6.572 -2.090 -5.497 738 3HD1 ILE 89 3HD1 ILE 89 -5.945 -3.373 -4.458 739 H ASP 90 H ASP 90 -8.111 1.625 -5.951 740 HA ASP 90 HA ASP 90 -7.584 4.432 -5.075 741 1HB ASP 90 1HB ASP 90 -9.057 3.517 -7.560 742 2HB ASP 90 2HB ASP 90 -8.918 5.171 -6.960 743 H PHE 91 H PHE 91 -8.735 4.554 -3.223 744 HA PHE 91 HA PHE 91 -11.299 3.142 -2.896 745 1HB PHE 91 1HB PHE 91 -9.723 4.931 -1.028 746 2HB PHE 91 2HB PHE 91 -11.159 4.030 -0.610 747 HD1 PHE 91 HD1 PHE 91 -7.547 3.861 -0.978 748 HD2 PHE 91 HD2 PHE 91 -11.148 1.533 -0.537 749 HE1 PHE 91 HE1 PHE 91 -6.226 1.991 -0.049 750 HE2 PHE 91 HE2 PHE 91 -9.811 -0.366 0.330 751 HZ PHE 91 HZ PHE 91 -7.357 -0.132 0.613 752 H VAL 92 H VAL 92 -13.193 4.291 -1.998 753 HA VAL 92 HA VAL 92 -13.357 7.194 -2.491 754 HB VAL 92 HB VAL 92 -14.377 6.154 -4.455 755 1HG1 VAL 92 1HG1 VAL 92 -15.171 3.995 -3.361 756 2HG1 VAL 92 2HG1 VAL 92 -16.431 4.929 -2.535 757 3HG1 VAL 92 3HG1 VAL 92 -16.430 4.820 -4.296 758 1HG2 VAL 92 1HG2 VAL 92 -15.226 8.296 -3.582 759 2HG2 VAL 92 2HG2 VAL 92 -16.459 7.352 -4.436 760 3HG2 VAL 92 3HG2 VAL 92 -16.475 7.421 -2.668 761 H ARG 93 H ARG 93 -14.617 8.255 -0.962 762 HA ARG 93 HA ARG 93 -14.904 7.231 1.610 763 1HB ARG 93 1HB ARG 93 -16.181 9.522 0.115 764 2HB ARG 93 2HB ARG 93 -16.693 9.166 1.762 765 1HG ARG 93 1HG ARG 93 -13.760 9.598 1.052 766 2HG ARG 93 2HG ARG 93 -14.871 10.907 1.508 767 1HD ARG 93 1HD ARG 93 -15.396 9.680 3.626 768 2HD ARG 93 2HD ARG 93 -14.098 8.526 3.242 769 HE ARG 93 HE ARG 93 -12.867 10.974 3.030 770 1HH1 ARG 93 1HH2 ARG 93 -14.601 9.234 5.594 771 2HH1 ARG 93 2HH2 ARG 93 -13.795 10.082 6.888 772 1HH2 ARG 93 1HH1 ARG 93 -11.834 12.095 4.730 773 2HH2 ARG 93 2HH1 ARG 93 -12.214 11.719 6.396 774 H ALA 94 H ALA 94 -16.482 6.317 2.829 775 HA ALA 94 HA ALA 94 -18.535 4.754 1.505 776 1HB ALA 94 1HB ALA 94 -17.341 3.944 3.505 777 2HB ALA 94 2HB ALA 94 -17.987 5.304 4.453 778 3HB ALA 94 3HB ALA 94 -19.086 4.062 3.813 Start of MODEL 8 1 H MET 1 H MET 1 -14.104 -0.529 9.012 2 HA MET 1 HA MET 1 -14.767 -2.287 10.631 3 1HB MET 1 1HB MET 1 -15.236 -3.933 8.111 4 2HB MET 1 2HB MET 1 -15.381 -4.494 9.780 5 1HG MET 1 1HG MET 1 -17.153 -2.448 8.381 6 2HG MET 1 2HG MET 1 -17.525 -4.116 8.785 7 1HE MET 1 1HE MET 1 -17.837 -0.483 9.843 8 2HE MET 1 2HE MET 1 -17.919 -0.530 11.616 9 3HE MET 1 3HE MET 1 -16.363 -0.739 10.803 10 H PHE 2 H PHE 2 -13.198 -3.433 7.583 11 HA PHE 2 HA PHE 2 -11.023 -4.718 8.888 12 1HB PHE 2 1HB PHE 2 -11.198 -3.542 6.089 13 2HB PHE 2 2HB PHE 2 -9.924 -4.603 6.666 14 HD1 PHE 2 HD1 PHE 2 -13.435 -4.431 5.559 15 HD2 PHE 2 HD2 PHE 2 -10.296 -6.997 7.021 16 HE1 PHE 2 HE1 PHE 2 -14.702 -6.416 4.789 17 HE2 PHE 2 HE2 PHE 2 -11.548 -8.979 6.203 18 HZ PHE 2 HZ PHE 2 -13.765 -8.695 5.133 19 H THR 3 H THR 3 -9.302 -3.839 9.922 20 HA THR 3 HA THR 3 -8.912 -0.935 9.899 21 HB THR 3 HB THR 3 -7.521 -3.087 11.539 22 HG1 THR 3 HG1 THR 3 -9.894 -1.620 12.006 23 1HG2 THR 3 1HG2 THR 3 -6.417 -0.838 11.563 24 2HG2 THR 3 2HG2 THR 3 -7.974 -0.107 12.024 25 3HG2 THR 3 3HG2 THR 3 -7.159 -1.233 13.123 26 H ILE 4 H ILE 4 -8.082 -0.708 7.708 27 HA ILE 4 HA ILE 4 -5.600 -2.041 6.927 28 HB ILE 4 HB ILE 4 -7.211 0.234 5.720 29 1HG1 ILE 4 1HG1 ILE 4 -7.460 -1.341 3.820 30 2HG1 ILE 4 2HG1 ILE 4 -6.646 -2.605 4.750 31 1HG2 ILE 4 1HG2 ILE 4 -4.604 -0.988 4.741 32 2HG2 ILE 4 2HG2 ILE 4 -5.660 0.059 3.769 33 3HG2 ILE 4 3HG2 ILE 4 -4.858 0.704 5.196 34 1HD1 ILE 4 1HD1 ILE 4 -9.191 -1.187 5.646 35 2HD1 ILE 4 2HD1 ILE 4 -9.188 -2.685 4.695 36 3HD1 ILE 4 3HD1 ILE 4 -8.493 -2.689 6.315 37 H ASN 5 H ASN 5 -3.833 -1.580 8.150 38 HA ASN 5 HA ASN 5 -3.368 0.976 9.415 39 1HB ASN 5 1HB ASN 5 -2.447 -1.144 10.288 40 2HB ASN 5 2HB ASN 5 -1.475 -1.333 8.821 41 1HD2 ASN 5 2HD2 ASN 5 -2.105 0.969 11.536 42 2HD2 ASN 5 1HD2 ASN 5 -0.465 1.578 11.614 43 H ALA 6 H ALA 6 -2.398 2.795 8.534 44 HA ALA 6 HA ALA 6 -0.741 2.578 6.120 45 1HB ALA 6 1HB ALA 6 -3.089 2.615 5.262 46 2HB ALA 6 2HB ALA 6 -3.365 4.131 6.144 47 3HB ALA 6 3HB ALA 6 -2.193 4.075 4.811 48 H GLU 7 H GLU 7 -0.123 4.804 5.370 49 HA GLU 7 HA GLU 7 0.045 6.891 7.460 50 1HB GLU 7 1HB GLU 7 2.058 5.341 7.635 51 2HB GLU 7 2HB GLU 7 2.448 5.742 5.955 52 1HG GLU 7 1HG GLU 7 2.689 8.164 6.669 53 2HG GLU 7 2HG GLU 7 2.380 7.651 8.334 54 H VAL 8 H VAL 8 0.636 8.974 6.408 55 HA VAL 8 HA VAL 8 -0.312 9.368 3.717 56 HB VAL 8 HB VAL 8 0.727 11.583 3.902 57 1HG1 VAL 8 1HG1 VAL 8 -1.511 11.157 4.883 58 2HG1 VAL 8 2HG1 VAL 8 -0.754 10.807 6.452 59 3HG1 VAL 8 3HG1 VAL 8 -0.626 12.427 5.746 60 1HG2 VAL 8 1HG2 VAL 8 2.778 11.034 5.176 61 2HG2 VAL 8 2HG2 VAL 8 1.852 12.314 5.961 62 3HG2 VAL 8 3HG2 VAL 8 1.804 10.671 6.613 63 H ARG 9 H ARG 9 0.969 9.732 1.767 64 HA ARG 9 HA ARG 9 3.042 7.825 1.530 65 1HB ARG 9 1HB ARG 9 1.553 8.617 -0.345 66 2HB ARG 9 2HB ARG 9 2.523 10.101 -0.404 67 1HG ARG 9 1HG ARG 9 4.574 8.418 -0.571 68 2HG ARG 9 2HG ARG 9 3.347 7.235 -1.029 69 1HD ARG 9 1HD ARG 9 3.881 9.891 -2.424 70 2HD ARG 9 2HD ARG 9 4.491 8.301 -2.933 71 HE ARG 9 HE ARG 9 1.660 8.167 -2.683 72 1HH1 ARG 9 1HH2 ARG 9 4.178 9.543 -4.763 73 2HH1 ARG 9 2HH2 ARG 9 3.191 9.535 -6.201 74 1HH2 ARG 9 1HH1 ARG 9 0.352 8.164 -4.595 75 2HH2 ARG 9 2HH1 ARG 9 1.003 8.759 -6.099 76 H LYS 10 H LYS 10 4.966 7.994 2.539 77 HA LYS 10 HA LYS 10 6.675 10.331 2.180 78 1HB LYS 10 1HB LYS 10 5.126 11.007 4.022 79 2HB LYS 10 2HB LYS 10 5.580 9.566 4.928 80 1HG LYS 10 1HG LYS 10 6.733 11.460 5.814 81 2HG LYS 10 2HG LYS 10 7.938 10.427 5.047 82 1HD LYS 10 1HD LYS 10 8.053 11.910 3.104 83 2HD LYS 10 2HD LYS 10 6.672 12.857 3.705 84 1HE LYS 10 1HE LYS 10 8.012 13.503 5.708 85 2HE LYS 10 2HE LYS 10 9.393 12.588 5.065 86 1HZ LYS 10 1HZ LYS 10 8.096 14.890 3.774 87 2HZ LYS 10 2HZ LYS 10 9.543 14.911 4.566 88 3HZ LYS 10 3HZ LYS 10 9.381 14.050 3.168 89 H GLU 11 H GLU 11 6.203 7.514 4.352 90 HA GLU 11 HA GLU 11 7.564 6.064 5.281 91 1HB GLU 11 1HB GLU 11 8.759 4.551 3.914 92 2HB GLU 11 2HB GLU 11 7.285 5.015 3.079 93 1HG GLU 11 1HG GLU 11 8.441 6.249 1.433 94 2HG GLU 11 2HG GLU 11 9.905 6.410 2.424 95 H GLN 12 H GLN 12 10.331 5.358 4.824 96 HA GLN 12 HA GLN 12 11.558 7.502 6.396 97 1HB GLN 12 1HB GLN 12 11.806 5.090 6.950 98 2HB GLN 12 2HB GLN 12 12.720 4.856 5.454 99 1HG GLN 12 1HG GLN 12 14.367 6.604 6.274 100 2HG GLN 12 2HG GLN 12 13.461 6.687 7.789 101 1HE2 GLN 12 2HE2 GLN 12 13.203 4.548 8.990 102 2HE2 GLN 12 1HE2 GLN 12 14.554 3.438 8.940 103 H GLY 13 H GLY 13 11.331 9.100 4.606 104 1HA GLY 13 1HA GLY 13 13.857 9.502 3.337 105 2HA GLY 13 2HA GLY 13 12.654 8.967 2.140 106 H LYS 14 H LYS 14 13.858 11.474 2.014 107 HA LYS 14 HA LYS 14 12.327 13.616 3.110 108 1HB LYS 14 1HB LYS 14 14.590 13.853 2.148 109 2HB LYS 14 2HB LYS 14 13.965 13.461 0.538 110 1HG LYS 14 1HG LYS 14 12.502 15.487 0.637 111 2HG LYS 14 2HG LYS 14 13.159 15.860 2.245 112 1HD LYS 14 1HD LYS 14 15.437 16.038 1.253 113 2HD LYS 14 2HD LYS 14 14.766 15.647 -0.345 114 1HE LYS 14 1HE LYS 14 13.325 17.677 -0.228 115 2HE LYS 14 2HE LYS 14 14.029 18.076 1.352 116 1HZ LYS 14 1HZ LYS 14 16.159 18.253 0.284 117 2HZ LYS 14 2HZ LYS 14 15.502 17.888 -1.182 118 3HZ LYS 14 3HZ LYS 14 15.074 19.278 -0.411 119 H GLY 15 H GLY 15 12.240 11.964 -0.072 120 1HA GLY 15 1HA GLY 15 9.442 11.809 -0.325 121 2HA GLY 15 2HA GLY 15 9.971 13.297 -1.147 122 H ALA 16 H ALA 16 10.932 9.844 -0.798 123 HA ALA 16 HA ALA 16 11.259 9.568 -3.718 124 1HB ALA 16 1HB ALA 16 13.489 10.271 -2.909 125 2HB ALA 16 2HB ALA 16 13.468 8.967 -1.700 126 3HB ALA 16 3HB ALA 16 13.502 8.575 -3.434 127 H SER 17 H SER 17 10.931 7.483 -4.420 128 HA SER 17 HA SER 17 9.196 5.953 -2.811 129 1HB SER 17 1HB SER 17 10.530 5.225 -5.459 130 2HB SER 17 2HB SER 17 9.076 4.477 -4.768 131 HG SER 17 HG SER 17 8.561 6.101 -6.271 132 H ARG 18 H ARG 18 12.402 5.105 -4.119 133 HA ARG 18 HA ARG 18 13.715 3.294 -3.805 134 1HB ARG 18 1HB ARG 18 13.747 4.820 -1.182 135 2HB ARG 18 2HB ARG 18 14.858 3.484 -1.541 136 1HG ARG 18 1HG ARG 18 15.527 4.667 -3.662 137 2HG ARG 18 2HG ARG 18 14.605 6.081 -3.108 138 1HD ARG 18 1HD ARG 18 16.043 6.270 -1.130 139 2HD ARG 18 2HD ARG 18 16.812 4.714 -1.514 140 HE ARG 18 HE ARG 18 17.042 6.699 -3.634 141 1HH1 ARG 18 1HH2 ARG 18 18.561 5.495 -0.654 142 2HH1 ARG 18 2HH2 ARG 18 20.167 5.974 -1.136 143 1HH2 ARG 18 1HH1 ARG 18 19.155 7.323 -4.244 144 2HH2 ARG 18 2HH1 ARG 18 20.503 7.030 -3.175 145 H ARG 19 H ARG 19 12.474 3.123 -0.449 146 HA ARG 19 HA ARG 19 12.875 0.336 -0.349 147 1HB ARG 19 1HB ARG 19 11.025 2.009 1.381 148 2HB ARG 19 2HB ARG 19 11.619 0.388 1.736 149 1HG ARG 19 1HG ARG 19 13.941 1.218 1.789 150 2HG ARG 19 2HG ARG 19 13.382 2.868 1.457 151 1HD ARG 19 1HD ARG 19 12.082 2.935 3.492 152 2HD ARG 19 2HD ARG 19 12.430 1.245 3.858 153 HE ARG 19 HE ARG 19 14.096 3.561 4.362 154 1HH1 ARG 19 1HH2 ARG 19 14.259 0.080 3.681 155 2HH1 ARG 19 2HH2 ARG 19 15.749 -0.151 4.559 156 1HH2 ARG 19 1HH1 ARG 19 16.001 3.217 5.602 157 2HH2 ARG 19 2HH1 ARG 19 16.773 1.651 5.599 158 H LEU 20 H LEU 20 9.840 2.217 -0.955 159 HA LEU 20 HA LEU 20 8.201 -0.119 -1.101 160 1HB LEU 20 1HB LEU 20 6.454 1.285 -1.809 161 2HB LEU 20 2HB LEU 20 7.437 2.235 -0.706 162 HG LEU 20 HG LEU 20 8.594 3.048 -2.993 163 1HD1 LEU 20 1HD1 LEU 20 5.742 2.331 -3.814 164 2HD1 LEU 20 2HD1 LEU 20 6.851 3.336 -4.764 165 3HD1 LEU 20 3HD1 LEU 20 7.194 1.621 -4.525 166 1HD2 LEU 20 1HD2 LEU 20 5.910 4.051 -1.989 167 2HD2 LEU 20 2HD2 LEU 20 7.511 4.517 -1.358 168 3HD2 LEU 20 3HD2 LEU 20 7.035 4.964 -3.006 169 H ARG 21 H ARG 21 10.192 1.566 -3.483 170 HA ARG 21 HA ARG 21 9.168 -0.012 -5.733 171 1HB ARG 21 1HB ARG 21 9.785 2.443 -5.772 172 2HB ARG 21 2HB ARG 21 11.481 1.963 -5.637 173 1HG ARG 21 1HG ARG 21 11.212 0.668 -7.787 174 2HG ARG 21 2HG ARG 21 9.521 1.194 -7.859 175 1HD ARG 21 1HD ARG 21 10.236 3.555 -7.912 176 2HD ARG 21 2HD ARG 21 11.933 3.074 -7.823 177 HE ARG 21 HE ARG 21 10.168 3.073 -10.131 178 1HH1 ARG 21 1HH2 ARG 21 13.058 1.498 -8.790 179 2HH1 ARG 21 2HH2 ARG 21 13.712 1.091 -10.355 180 1HH2 ARG 21 1HH1 ARG 21 11.033 2.522 -12.170 181 2HH2 ARG 21 2HH1 ARG 21 12.549 1.666 -12.284 182 H ALA 22 H ALA 22 9.965 -1.790 -3.937 183 HA ALA 22 HA ALA 22 11.992 -3.362 -5.127 184 1HB ALA 22 1HB ALA 22 12.847 -1.851 -2.612 185 2HB ALA 22 2HB ALA 22 13.657 -3.299 -3.242 186 3HB ALA 22 3HB ALA 22 13.643 -1.814 -4.196 187 H ALA 23 H ALA 23 10.821 -2.526 -1.829 188 HA ALA 23 HA ALA 23 10.462 -5.345 -1.131 189 1HB ALA 23 1HB ALA 23 11.471 -3.655 0.411 190 2HB ALA 23 2HB ALA 23 9.904 -2.822 0.476 191 3HB ALA 23 3HB ALA 23 10.063 -4.472 1.104 192 H ASN 24 H ASN 24 8.397 -5.652 0.358 193 HA ASN 24 HA ASN 24 6.104 -5.544 -1.441 194 1HB ASN 24 1HB ASN 24 6.514 -6.708 1.348 195 2HB ASN 24 2HB ASN 24 5.044 -6.907 0.388 196 1HD2 ASN 24 2HD2 ASN 24 6.104 -9.193 1.182 197 2HD2 ASN 24 1HD2 ASN 24 6.959 -10.003 -0.116 198 H LYS 25 H LYS 25 6.299 -3.073 -1.304 199 HA LYS 25 HA LYS 25 4.040 -2.222 0.344 200 1HB LYS 25 1HB LYS 25 6.349 -1.599 1.500 201 2HB LYS 25 2HB LYS 25 6.457 -0.417 0.186 202 1HG LYS 25 1HG LYS 25 4.057 0.301 0.961 203 2HG LYS 25 2HG LYS 25 4.444 -0.593 2.435 204 1HD LYS 25 1HD LYS 25 5.863 1.824 1.249 205 2HD LYS 25 2HD LYS 25 4.902 1.749 2.727 206 1HE LYS 25 1HE LYS 25 6.971 1.701 3.674 207 2HE LYS 25 2HE LYS 25 6.775 -0.042 3.436 208 1HZ LYS 25 1HZ LYS 25 8.013 0.265 1.350 209 2HZ LYS 25 2HZ LYS 25 8.201 1.869 1.690 210 3HZ LYS 25 3HZ LYS 25 8.889 0.737 2.662 211 H PHE 26 H PHE 26 2.880 -0.474 -0.682 212 HA PHE 26 HA PHE 26 3.823 0.489 -3.272 213 1HB PHE 26 1HB PHE 26 2.153 -0.586 -4.585 214 2HB PHE 26 2HB PHE 26 2.878 -1.863 -3.635 215 HD1 PHE 26 HD1 PHE 26 1.621 -2.458 -1.342 216 HD2 PHE 26 HD2 PHE 26 -0.174 -0.298 -4.613 217 HE1 PHE 26 HE1 PHE 26 -0.621 -2.884 -0.395 218 HE2 PHE 26 HE2 PHE 26 -2.396 -0.612 -3.591 219 HZ PHE 26 HZ PHE 26 -2.631 -1.917 -1.484 220 HA PRO 27 HA PRO 27 1.090 3.693 -1.876 221 1HB PRO 27 1HB PRO 27 0.697 5.232 -4.067 222 2HB PRO 27 2HB PRO 27 2.334 4.980 -3.391 223 1HG PRO 27 1HG PRO 27 1.041 3.474 -5.690 224 2HG PRO 27 2HG PRO 27 2.646 4.265 -5.672 225 1HD PRO 27 1HD PRO 27 2.323 1.595 -5.163 226 2HD PRO 27 2HD PRO 27 3.563 2.573 -4.326 227 H ALA 28 H ALA 28 -1.099 4.405 -1.851 228 HA ALA 28 HA ALA 28 -2.971 3.446 -3.906 229 1HB ALA 28 1HB ALA 28 -3.437 2.955 -0.939 230 2HB ALA 28 2HB ALA 28 -4.622 2.710 -2.246 231 3HB ALA 28 3HB ALA 28 -3.163 1.709 -2.180 232 H ILE 29 H ILE 29 -5.115 4.663 -3.604 233 HA ILE 29 HA ILE 29 -4.606 7.406 -2.542 234 HB ILE 29 HB ILE 29 -5.505 6.608 -5.328 235 1HG1 ILE 29 1HG1 ILE 29 -3.096 8.229 -4.361 236 2HG1 ILE 29 2HG1 ILE 29 -3.028 6.563 -4.934 237 1HG2 ILE 29 1HG2 ILE 29 -6.824 8.553 -4.500 238 2HG2 ILE 29 2HG2 ILE 29 -5.306 9.414 -4.171 239 3HG2 ILE 29 3HG2 ILE 29 -5.766 8.975 -5.829 240 1HD1 ILE 29 1HD1 ILE 29 -3.923 7.351 -7.160 241 2HD1 ILE 29 2HD1 ILE 29 -3.671 9.019 -6.588 242 3HD1 ILE 29 3HD1 ILE 29 -2.299 7.916 -6.725 243 H ILE 30 H ILE 30 -6.334 8.447 -1.717 244 HA ILE 30 HA ILE 30 -8.958 7.026 -1.703 245 HB ILE 30 HB ILE 30 -7.958 9.057 0.314 246 1HG1 ILE 30 1HG1 ILE 30 -8.101 6.027 0.634 247 2HG1 ILE 30 2HG1 ILE 30 -6.614 6.971 0.471 248 1HG2 ILE 30 1HG2 ILE 30 -10.421 8.948 0.018 249 2HG2 ILE 30 2HG2 ILE 30 -10.377 7.199 0.316 250 3HG2 ILE 30 3HG2 ILE 30 -9.949 8.354 1.596 251 1HD1 ILE 30 1HD1 ILE 30 -7.236 8.254 2.534 252 2HD1 ILE 30 2HD1 ILE 30 -8.575 7.105 2.784 253 3HD1 ILE 30 3HD1 ILE 30 -6.909 6.533 2.794 254 H TYR 31 H TYR 31 -10.619 7.994 -2.603 255 HA TYR 31 HA TYR 31 -10.403 10.776 -3.643 256 1HB TYR 31 1HB TYR 31 -12.078 8.379 -4.484 257 2HB TYR 31 2HB TYR 31 -12.285 10.006 -5.111 258 HD1 TYR 31 HD1 TYR 31 -11.216 10.580 -7.111 259 HD2 TYR 31 HD2 TYR 31 -9.564 7.376 -4.726 260 HE1 TYR 31 HE1 TYR 31 -9.580 10.071 -8.897 261 HE2 TYR 31 HE2 TYR 31 -7.882 6.957 -6.458 262 HH TYR 31 HH TYR 31 -7.390 7.270 -8.709 263 H GLY 32 H GLY 32 -12.033 12.212 -3.203 264 1HA GLY 32 1HA GLY 32 -14.128 11.463 -1.202 265 2HA GLY 32 2HA GLY 32 -12.966 12.756 -0.881 266 H GLY 33 H GLY 33 -13.190 13.420 -3.978 267 1HA GLY 33 1HA GLY 33 -14.569 14.591 -5.380 268 2HA GLY 33 2HA GLY 33 -15.932 14.373 -4.274 269 H LYS 34 H LYS 34 -15.268 15.503 -2.006 270 HA LYS 34 HA LYS 34 -15.603 18.217 -2.051 271 1HB LYS 34 1HB LYS 34 -14.081 16.455 -0.096 272 2HB LYS 34 2HB LYS 34 -14.500 18.138 0.244 273 1HG LYS 34 1HG LYS 34 -16.830 17.734 0.146 274 2HG LYS 34 2HG LYS 34 -16.654 16.095 -0.481 275 1HD LYS 34 1HD LYS 34 -15.325 16.739 2.153 276 2HD LYS 34 2HD LYS 34 -17.086 16.641 2.121 277 1HE LYS 34 1HE LYS 34 -16.066 14.488 2.746 278 2HE LYS 34 2HE LYS 34 -17.068 14.376 1.290 279 1HZ LYS 34 1HZ LYS 34 -14.140 14.600 1.281 280 2HZ LYS 34 2HZ LYS 34 -14.992 13.197 1.108 281 3HZ LYS 34 3HZ LYS 34 -15.119 14.371 -0.030 282 H GLU 35 H GLU 35 -12.471 16.486 -2.086 283 HA GLU 35 HA GLU 35 -11.121 18.880 -3.167 284 1HB GLU 35 1HB GLU 35 -10.794 18.851 -0.694 285 2HB GLU 35 2HB GLU 35 -10.105 17.225 -0.807 286 1HG GLU 35 1HG GLU 35 -8.189 18.079 -2.057 287 2HG GLU 35 2HG GLU 35 -8.958 19.672 -2.223 288 H ALA 36 H ALA 36 -9.012 18.224 -4.119 289 HA ALA 36 HA ALA 36 -9.176 16.086 -5.910 290 1HB ALA 36 1HB ALA 36 -7.675 18.015 -6.194 291 2HB ALA 36 2HB ALA 36 -6.726 17.516 -4.776 292 3HB ALA 36 3HB ALA 36 -6.727 16.516 -6.241 293 HA PRO 37 HA PRO 37 -8.323 12.578 -3.395 294 1HB PRO 37 1HB PRO 37 -7.143 10.813 -5.125 295 2HB PRO 37 2HB PRO 37 -8.847 11.315 -5.260 296 1HG PRO 37 1HG PRO 37 -6.476 12.477 -6.742 297 2HG PRO 37 2HG PRO 37 -8.008 11.876 -7.443 298 1HD PRO 37 1HD PRO 37 -7.666 14.500 -6.942 299 2HD PRO 37 2HD PRO 37 -9.230 13.727 -6.552 300 H LEU 38 H LEU 38 -6.661 11.496 -2.212 301 HA LEU 38 HA LEU 38 -3.920 12.614 -2.507 302 1HB LEU 38 1HB LEU 38 -3.812 12.855 -0.052 303 2HB LEU 38 2HB LEU 38 -4.784 14.036 -0.909 304 HG LEU 38 HG LEU 38 -5.624 13.324 1.302 305 1HD1 LEU 38 1HD1 LEU 38 -7.096 14.392 -0.402 306 2HD1 LEU 38 2HD1 LEU 38 -7.685 12.779 -0.861 307 3HD1 LEU 38 3HD1 LEU 38 -7.938 13.375 0.779 308 1HD2 LEU 38 1HD2 LEU 38 -5.136 10.876 1.112 309 2HD2 LEU 38 2HD2 LEU 38 -6.779 11.258 1.662 310 3HD2 LEU 38 3HD2 LEU 38 -6.517 10.751 -0.011 311 H ALA 39 H ALA 39 -2.233 11.449 -1.554 312 HA ALA 39 HA ALA 39 -2.722 8.573 -1.986 313 1HB ALA 39 1HB ALA 39 -1.214 9.778 -3.510 314 2HB ALA 39 2HB ALA 39 -0.156 10.184 -2.137 315 3HB ALA 39 3HB ALA 39 -0.396 8.485 -2.608 316 H ILE 40 H ILE 40 -1.680 6.967 -0.818 317 HA ILE 40 HA ILE 40 -0.505 7.603 1.818 318 HB ILE 40 HB ILE 40 -1.925 5.813 2.820 319 1HG1 ILE 40 1HG1 ILE 40 -3.659 6.034 0.319 320 2HG1 ILE 40 2HG1 ILE 40 -2.530 4.702 0.621 321 1HG2 ILE 40 1HG2 ILE 40 -2.449 8.253 3.044 322 2HG2 ILE 40 2HG2 ILE 40 -3.592 8.101 1.692 323 3HG2 ILE 40 3HG2 ILE 40 -3.860 7.207 3.196 324 1HD1 ILE 40 1HD1 ILE 40 -3.742 4.171 2.729 325 2HD1 ILE 40 2HD1 ILE 40 -4.935 5.425 2.315 326 3HD1 ILE 40 3HD1 ILE 40 -4.739 4.015 1.268 327 H GLU 41 H GLU 41 0.550 5.760 2.757 328 HA GLU 41 HA GLU 41 1.646 3.769 0.818 329 1HB GLU 41 1HB GLU 41 2.751 5.195 3.263 330 2HB GLU 41 2HB GLU 41 3.420 3.638 2.771 331 1HG GLU 41 1HG GLU 41 3.137 5.781 0.679 332 2HG GLU 41 2HG GLU 41 4.452 5.901 1.870 333 H LEU 42 H LEU 42 1.435 1.648 1.314 334 HA LEU 42 HA LEU 42 0.923 0.659 3.932 335 1HB LEU 42 1HB LEU 42 -1.332 -0.422 3.265 336 2HB LEU 42 2HB LEU 42 -1.278 1.215 3.886 337 HG LEU 42 HG LEU 42 -1.558 2.182 1.660 338 1HD1 LEU 42 1HD1 LEU 42 -1.627 -0.709 0.713 339 2HD1 LEU 42 2HD1 LEU 42 -2.197 0.670 -0.246 340 3HD1 LEU 42 3HD1 LEU 42 -0.497 0.559 0.200 341 1HD2 LEU 42 1HD2 LEU 42 -3.526 1.621 3.030 342 2HD2 LEU 42 2HD2 LEU 42 -3.864 1.487 1.297 343 3HD2 LEU 42 3HD2 LEU 42 -3.609 0.022 2.263 344 H ASP 43 H ASP 43 0.835 -1.670 4.014 345 HA ASP 43 HA ASP 43 2.939 -2.550 2.270 346 1HB ASP 43 1HB ASP 43 1.597 -3.900 4.631 347 2HB ASP 43 2HB ASP 43 3.072 -4.458 3.824 348 H HIS 44 H HIS 44 3.064 -4.297 0.926 349 HA HIS 44 HA HIS 44 0.564 -5.299 -0.256 350 1HB HIS 44 1HB HIS 44 2.571 -4.493 -1.566 351 2HB HIS 44 2HB HIS 44 3.450 -5.898 -0.996 352 HD1 HIS 44 HD1 HIS 44 1.553 -8.242 -1.526 353 HD2 HIS 44 HD2 HIS 44 1.971 -4.900 -4.047 354 HE1 HIS 44 HE1 HIS 44 0.792 -8.979 -3.850 355 H ASP 45 H ASP 45 0.297 -6.180 2.142 356 HA ASP 45 HA ASP 45 0.621 -9.057 1.991 357 1HB ASP 45 1HB ASP 45 2.844 -8.565 2.849 358 2HB ASP 45 2HB ASP 45 2.188 -7.509 4.102 359 H LYS 46 H LYS 46 0.298 -6.700 4.696 360 HA LYS 46 HA LYS 46 -1.921 -7.976 5.912 361 1HB LYS 46 1HB LYS 46 -0.601 -5.282 6.143 362 2HB LYS 46 2HB LYS 46 -2.275 -5.411 6.687 363 1HG LYS 46 1HG LYS 46 -0.963 -5.822 8.584 364 2HG LYS 46 2HG LYS 46 -1.706 -7.346 8.117 365 1HD LYS 46 1HD LYS 46 0.857 -7.262 6.805 366 2HD LYS 46 2HD LYS 46 1.104 -6.603 8.416 367 1HE LYS 46 1HE LYS 46 1.489 -8.936 8.607 368 2HE LYS 46 2HE LYS 46 -0.095 -8.660 9.350 369 1HZ LYS 46 1HZ LYS 46 -1.064 -9.404 7.227 370 2HZ LYS 46 2HZ LYS 46 0.455 -9.660 6.641 371 3HZ LYS 46 3HZ LYS 46 -0.100 -10.558 7.902 372 H VAL 47 H VAL 47 -1.799 -5.301 3.529 373 HA VAL 47 HA VAL 47 -4.621 -4.945 3.401 374 HB VAL 47 HB VAL 47 -2.546 -4.366 1.245 375 1HG1 VAL 47 1HG1 VAL 47 -5.318 -3.193 1.796 376 2HG1 VAL 47 2HG1 VAL 47 -4.193 -2.648 0.537 377 3HG1 VAL 47 3HG1 VAL 47 -4.905 -4.264 0.446 378 1HG2 VAL 47 1HG2 VAL 47 -3.586 -2.657 3.550 379 2HG2 VAL 47 2HG2 VAL 47 -1.924 -3.249 3.382 380 3HG2 VAL 47 3HG2 VAL 47 -2.560 -2.087 2.220 381 H MET 48 H MET 48 -2.354 -6.902 1.392 382 HA MET 48 HA MET 48 -4.163 -8.011 -0.398 383 1HB MET 48 1HB MET 48 -1.479 -8.709 0.654 384 2HB MET 48 2HB MET 48 -2.397 -10.116 0.151 385 1HG MET 48 1HG MET 48 -1.743 -7.692 -1.550 386 2HG MET 48 2HG MET 48 -1.023 -9.298 -1.647 387 1HE MET 48 1HE MET 48 -2.558 -11.513 -2.168 388 2HE MET 48 2HE MET 48 -4.024 -11.010 -1.301 389 3HE MET 48 3HE MET 48 -4.118 -11.419 -3.023 390 H ASN 49 H ASN 49 -3.401 -9.213 2.914 391 HA ASN 49 HA ASN 49 -5.003 -11.530 2.854 392 1HB ASN 49 1HB ASN 49 -4.570 -9.671 5.233 393 2HB ASN 49 2HB ASN 49 -5.088 -11.354 5.297 394 1HD2 ASN 49 2HD2 ASN 49 -3.315 -12.603 3.489 395 2HD2 ASN 49 1HD2 ASN 49 -1.692 -12.460 4.129 396 H MET 50 H MET 50 -5.903 -8.143 3.539 397 HA MET 50 HA MET 50 -8.616 -8.773 4.309 398 1HB MET 50 1HB MET 50 -7.273 -6.133 3.630 399 2HB MET 50 2HB MET 50 -8.884 -6.320 4.343 400 1HG MET 50 1HG MET 50 -7.972 -7.363 6.326 401 2HG MET 50 2HG MET 50 -6.354 -7.402 5.633 402 1HE MET 50 1HE MET 50 -5.231 -6.383 7.687 403 2HE MET 50 2HE MET 50 -5.777 -4.899 8.494 404 3HE MET 50 3HE MET 50 -6.805 -6.350 8.519 405 H GLN 51 H GLN 51 -7.051 -7.597 1.303 406 HA GLN 51 HA GLN 51 -9.161 -6.703 -0.176 407 1HB GLN 51 1HB GLN 51 -6.748 -8.341 -1.021 408 2HB GLN 51 2HB GLN 51 -7.890 -7.744 -2.205 409 1HG GLN 51 1HG GLN 51 -6.300 -6.019 -0.274 410 2HG GLN 51 2HG GLN 51 -5.914 -6.303 -1.966 411 1HE2 GLN 51 2HE2 GLN 51 -8.930 -6.124 -2.681 412 2HE2 GLN 51 1HE2 GLN 51 -9.223 -4.401 -2.656 413 H ALA 52 H ALA 52 -8.075 -10.123 -0.289 414 HA ALA 52 HA ALA 52 -9.083 -12.021 -0.959 415 1HB ALA 52 1HB ALA 52 -11.334 -10.805 0.692 416 2HB ALA 52 2HB ALA 52 -11.204 -12.516 0.222 417 3HB ALA 52 3HB ALA 52 -9.975 -11.780 1.267 418 H LYS 53 H LYS 53 -12.266 -10.477 -1.087 419 HA LYS 53 HA LYS 53 -12.216 -10.102 -3.951 420 1HB LYS 53 1HB LYS 53 -12.695 -12.662 -3.398 421 2HB LYS 53 2HB LYS 53 -14.285 -12.081 -2.960 422 1HG LYS 53 1HG LYS 53 -14.614 -12.584 -5.211 423 2HG LYS 53 2HG LYS 53 -14.176 -10.888 -5.352 424 1HD LYS 53 1HD LYS 53 -12.938 -11.980 -7.025 425 2HD LYS 53 2HD LYS 53 -11.777 -11.581 -5.758 426 1HE LYS 53 1HE LYS 53 -11.385 -13.817 -6.688 427 2HE LYS 53 2HE LYS 53 -11.799 -13.937 -4.976 428 1HZ LYS 53 1HZ LYS 53 -13.642 -14.381 -7.227 429 2HZ LYS 53 2HZ LYS 53 -12.921 -15.558 -6.328 430 3HZ LYS 53 3HZ LYS 53 -14.016 -14.550 -5.630 431 H ALA 54 H ALA 54 -15.305 -10.397 -3.782 432 HA ALA 54 HA ALA 54 -15.974 -7.746 -3.614 433 1HB ALA 54 1HB ALA 54 -17.366 -9.488 -4.624 434 2HB ALA 54 2HB ALA 54 -17.729 -10.156 -3.017 435 3HB ALA 54 3HB ALA 54 -18.298 -8.530 -3.455 436 H GLU 55 H GLU 55 -16.057 -10.118 -0.987 437 HA GLU 55 HA GLU 55 -17.245 -9.124 1.162 438 1HB GLU 55 1HB GLU 55 -15.803 -11.133 1.009 439 2HB GLU 55 2HB GLU 55 -14.360 -10.114 1.032 440 1HG GLU 55 1HG GLU 55 -15.059 -9.293 3.312 441 2HG GLU 55 2HG GLU 55 -16.405 -10.443 3.263 442 H PHE 56 H PHE 56 -13.926 -8.073 0.304 443 HA PHE 56 HA PHE 56 -13.633 -6.066 2.274 444 1HB PHE 56 1HB PHE 56 -11.834 -7.175 1.092 445 2HB PHE 56 2HB PHE 56 -12.329 -6.477 -0.441 446 HD1 PHE 56 HD1 PHE 56 -10.706 -5.813 2.817 447 HD2 PHE 56 HD2 PHE 56 -11.762 -4.166 -1.021 448 HE1 PHE 56 HE1 PHE 56 -8.804 -4.220 2.966 449 HE2 PHE 56 HE2 PHE 56 -9.955 -2.485 -0.798 450 HZ PHE 56 HZ PHE 56 -8.421 -2.567 1.158 451 H TYR 57 H TYR 57 -14.229 -5.681 -1.258 452 HA TYR 57 HA TYR 57 -14.970 -2.869 -0.864 453 1HB TYR 57 1HB TYR 57 -14.961 -2.715 -3.278 454 2HB TYR 57 2HB TYR 57 -13.453 -3.325 -2.630 455 HD1 TYR 57 HD1 TYR 57 -16.129 -3.944 -4.979 456 HD2 TYR 57 HD2 TYR 57 -12.862 -5.778 -2.842 457 HE1 TYR 57 HE1 TYR 57 -16.024 -5.738 -6.674 458 HE2 TYR 57 HE2 TYR 57 -12.730 -7.541 -4.562 459 HH TYR 57 HH TYR 57 -14.966 -7.657 -7.361 460 H SER 58 H SER 58 -16.742 -4.145 0.526 461 HA SER 58 HA SER 58 -19.241 -3.526 -0.787 462 1HB SER 58 1HB SER 58 -18.935 -5.835 -1.639 463 2HB SER 58 2HB SER 58 -18.748 -6.430 0.025 464 HG SER 58 HG SER 58 -20.878 -6.655 -0.733 465 H GLU 59 H GLU 59 -17.907 -5.487 1.951 466 HA GLU 59 HA GLU 59 -19.970 -4.459 3.746 467 1HB GLU 59 1HB GLU 59 -17.656 -6.372 4.229 468 2HB GLU 59 2HB GLU 59 -19.017 -6.067 5.320 469 1HG GLU 59 1HG GLU 59 -20.601 -6.887 3.595 470 2HG GLU 59 2HG GLU 59 -19.250 -7.235 2.507 471 H VAL 60 H VAL 60 -17.948 -2.564 2.695 472 HA VAL 60 HA VAL 60 -16.660 -0.918 3.182 473 HB VAL 60 HB VAL 60 -17.333 0.603 4.761 474 1HG1 VAL 60 1HG1 VAL 60 -19.082 -0.091 3.094 475 2HG1 VAL 60 2HG1 VAL 60 -19.820 -1.103 4.351 476 3HG1 VAL 60 3HG1 VAL 60 -19.727 0.652 4.571 477 1HG2 VAL 60 1HG2 VAL 60 -17.077 -0.688 6.849 478 2HG2 VAL 60 2HG2 VAL 60 -18.596 0.207 6.781 479 3HG2 VAL 60 3HG2 VAL 60 -18.606 -1.535 6.508 480 H LEU 61 H LEU 61 -15.039 0.220 4.624 481 HA LEU 61 HA LEU 61 -13.552 -1.491 6.451 482 1HB LEU 61 1HB LEU 61 -11.488 -1.437 5.125 483 2HB LEU 61 2HB LEU 61 -12.724 -2.462 4.415 484 HG LEU 61 HG LEU 61 -12.761 0.340 3.444 485 1HD1 LEU 61 1HD1 LEU 61 -10.410 -1.486 2.842 486 2HD1 LEU 61 2HD1 LEU 61 -10.801 0.000 1.954 487 3HD1 LEU 61 3HD1 LEU 61 -10.343 0.087 3.664 488 1HD2 LEU 61 1HD2 LEU 61 -14.161 -1.446 2.427 489 2HD2 LEU 61 2HD2 LEU 61 -13.010 -0.782 1.263 490 3HD2 LEU 61 3HD2 LEU 61 -12.692 -2.356 2.015 491 H THR 62 H THR 62 -11.411 -0.305 7.035 492 HA THR 62 HA THR 62 -11.874 2.631 7.208 493 HB THR 62 HB THR 62 -11.368 0.763 9.561 494 HG1 THR 62 HG1 THR 62 -13.717 2.016 8.600 495 1HG2 THR 62 1HG2 THR 62 -12.036 3.742 9.391 496 2HG2 THR 62 2HG2 THR 62 -11.918 2.785 10.885 497 3HG2 THR 62 3HG2 THR 62 -10.477 3.046 9.887 498 H ILE 63 H ILE 63 -10.093 3.575 6.465 499 HA ILE 63 HA ILE 63 -7.481 2.207 6.677 500 HB ILE 63 HB ILE 63 -8.193 4.761 5.215 501 1HG1 ILE 63 1HG1 ILE 63 -7.973 1.890 4.189 502 2HG1 ILE 63 2HG1 ILE 63 -9.453 2.859 4.269 503 1HG2 ILE 63 1HG2 ILE 63 -5.754 4.316 5.921 504 2HG2 ILE 63 2HG2 ILE 63 -5.806 2.889 4.881 505 3HG2 ILE 63 3HG2 ILE 63 -6.022 4.512 4.195 506 1HD1 ILE 63 1HD1 ILE 63 -8.468 4.492 2.682 507 2HD1 ILE 63 2HD1 ILE 63 -7.038 3.439 2.509 508 3HD1 ILE 63 3HD1 ILE 63 -8.626 2.856 2.019 509 H VAL 64 H VAL 64 -6.385 2.548 8.485 510 HA VAL 64 HA VAL 64 -6.656 4.973 10.119 511 HB VAL 64 HB VAL 64 -4.774 2.585 10.364 512 1HG1 VAL 64 1HG1 VAL 64 -5.558 4.777 12.340 513 2HG1 VAL 64 2HG1 VAL 64 -4.564 3.354 12.718 514 3HG1 VAL 64 3HG1 VAL 64 -3.961 4.570 11.588 515 1HG2 VAL 64 1HG2 VAL 64 -7.447 3.116 11.707 516 2HG2 VAL 64 2HG2 VAL 64 -7.093 1.815 10.550 517 3HG2 VAL 64 3HG2 VAL 64 -6.314 1.821 12.138 518 H VAL 65 H VAL 65 -5.999 6.553 8.529 519 HA VAL 65 HA VAL 65 -3.258 6.417 7.426 520 HB VAL 65 HB VAL 65 -5.340 8.637 7.252 521 1HG1 VAL 65 1HG1 VAL 65 -2.755 8.110 5.701 522 2HG1 VAL 65 2HG1 VAL 65 -3.923 9.403 5.358 523 3HG1 VAL 65 3HG1 VAL 65 -3.004 9.424 6.866 524 1HG2 VAL 65 1HG2 VAL 65 -4.642 6.366 5.350 525 2HG2 VAL 65 2HG2 VAL 65 -6.214 6.666 6.136 526 3HG2 VAL 65 3HG2 VAL 65 -5.611 7.782 4.906 527 H ASP 66 H ASP 66 -2.124 6.278 9.414 528 HA ASP 66 HA ASP 66 -1.156 6.943 11.333 529 1HB ASP 66 1HB ASP 66 -0.007 8.412 9.752 530 2HB ASP 66 2HB ASP 66 -1.255 9.654 9.943 531 H GLY 67 H GLY 67 -3.236 6.339 12.360 532 1HA GLY 67 1HA GLY 67 -4.524 6.741 14.231 533 2HA GLY 67 2HA GLY 67 -4.168 8.469 14.148 534 H LYS 68 H LYS 68 -5.032 9.064 11.512 535 HA LYS 68 HA LYS 68 -7.786 9.496 12.074 536 1HB LYS 68 1HB LYS 68 -6.220 9.939 9.505 537 2HB LYS 68 2HB LYS 68 -7.855 10.528 9.848 538 1HG LYS 68 1HG LYS 68 -6.997 11.826 11.785 539 2HG LYS 68 2HG LYS 68 -5.363 11.221 11.472 540 1HD LYS 68 1HD LYS 68 -5.525 13.438 10.605 541 2HD LYS 68 2HD LYS 68 -5.364 12.312 9.248 542 1HE LYS 68 1HE LYS 68 -7.764 12.509 8.752 543 2HE LYS 68 2HE LYS 68 -8.022 13.471 10.223 544 1HZ LYS 68 1HZ LYS 68 -6.382 14.265 7.921 545 2HZ LYS 68 2HZ LYS 68 -7.892 14.824 8.275 546 3HZ LYS 68 3HZ LYS 68 -6.631 15.161 9.282 547 H GLU 69 H GLU 69 -9.217 7.877 12.086 548 HA GLU 69 HA GLU 69 -9.173 5.593 10.305 549 1HB GLU 69 1HB GLU 69 -11.200 6.655 12.323 550 2HB GLU 69 2HB GLU 69 -11.378 5.141 11.424 551 1HG GLU 69 1HG GLU 69 -9.232 4.328 12.384 552 2HG GLU 69 2HG GLU 69 -9.123 5.798 13.365 553 H ILE 70 H ILE 70 -9.155 6.705 8.224 554 HA ILE 70 HA ILE 70 -11.563 8.165 7.409 555 HB ILE 70 HB ILE 70 -9.258 7.110 5.733 556 1HG1 ILE 70 1HG1 ILE 70 -9.774 9.849 6.992 557 2HG1 ILE 70 2HG1 ILE 70 -8.465 8.728 7.395 558 1HG2 ILE 70 1HG2 ILE 70 -11.388 7.517 4.472 559 2HG2 ILE 70 2HG2 ILE 70 -11.434 9.168 5.121 560 3HG2 ILE 70 3HG2 ILE 70 -10.131 8.659 4.026 561 1HD1 ILE 70 1HD1 ILE 70 -7.631 8.943 5.024 562 2HD1 ILE 70 2HD1 ILE 70 -8.786 10.279 4.811 563 3HD1 ILE 70 3HD1 ILE 70 -7.509 10.403 6.028 564 H LYS 71 H LYS 71 -13.384 6.959 7.404 565 HA LYS 71 HA LYS 71 -13.496 4.142 6.774 566 1HB LYS 71 1HB LYS 71 -15.669 6.255 6.937 567 2HB LYS 71 2HB LYS 71 -15.932 4.503 6.815 568 1HG LYS 71 1HG LYS 71 -14.621 4.202 8.939 569 2HG LYS 71 2HG LYS 71 -14.562 5.960 9.124 570 1HD LYS 71 1HD LYS 71 -17.088 4.250 8.992 571 2HD LYS 71 2HD LYS 71 -16.352 4.908 10.462 572 1HE LYS 71 1HE LYS 71 -16.699 7.228 9.568 573 2HE LYS 71 2HE LYS 71 -17.553 6.535 8.172 574 1HZ LYS 71 1HZ LYS 71 -18.357 6.243 10.975 575 2HZ LYS 71 2HZ LYS 71 -19.056 7.233 9.859 576 3HZ LYS 71 3HZ LYS 71 -19.140 5.598 9.675 577 H VAL 72 H VAL 72 -13.644 3.205 4.792 578 HA VAL 72 HA VAL 72 -14.606 4.792 2.484 579 HB VAL 72 HB VAL 72 -12.852 4.063 1.047 580 1HG1 VAL 72 1HG1 VAL 72 -12.323 6.087 2.425 581 2HG1 VAL 72 2HG1 VAL 72 -11.460 5.036 3.569 582 3HG1 VAL 72 3HG1 VAL 72 -10.897 5.187 1.901 583 1HG2 VAL 72 1HG2 VAL 72 -11.768 2.462 3.384 584 2HG2 VAL 72 2HG2 VAL 72 -12.395 1.853 1.823 585 3HG2 VAL 72 3HG2 VAL 72 -10.894 2.771 1.872 586 H LYS 73 H LYS 73 -15.290 3.472 0.696 587 HA LYS 73 HA LYS 73 -16.402 0.830 1.552 588 1HB LYS 73 1HB LYS 73 -17.223 2.719 -0.689 589 2HB LYS 73 2HB LYS 73 -17.897 1.109 -0.368 590 1HG LYS 73 1HG LYS 73 -18.540 1.886 1.943 591 2HG LYS 73 2HG LYS 73 -17.934 3.491 1.525 592 1HD LYS 73 1HD LYS 73 -20.321 3.490 1.304 593 2HD LYS 73 2HD LYS 73 -19.611 3.646 -0.313 594 1HE LYS 73 1HE LYS 73 -20.078 1.272 -0.781 595 2HE LYS 73 2HE LYS 73 -20.605 1.014 0.895 596 1HZ LYS 73 1HZ LYS 73 -21.907 2.766 -1.068 597 2HZ LYS 73 2HZ LYS 73 -22.426 1.271 -0.607 598 3HZ LYS 73 3HZ LYS 73 -22.413 2.509 0.480 599 H ALA 74 H ALA 74 -14.582 2.519 -0.985 600 HA ALA 74 HA ALA 74 -13.084 1.862 -2.491 601 1HB ALA 74 1HB ALA 74 -12.280 0.155 -0.781 602 2HB ALA 74 2HB ALA 74 -13.279 -1.045 -1.619 603 3HB ALA 74 3HB ALA 74 -11.968 -0.233 -2.482 604 H GLN 75 H GLN 75 -13.123 1.196 -4.651 605 HA GLN 75 HA GLN 75 -15.456 -0.376 -5.607 606 1HB GLN 75 1HB GLN 75 -14.653 2.359 -6.697 607 2HB GLN 75 2HB GLN 75 -15.830 1.241 -7.416 608 1HG GLN 75 1HG GLN 75 -17.115 1.352 -5.220 609 2HG GLN 75 2HG GLN 75 -16.038 2.672 -4.733 610 1HE2 GLN 75 2HE2 GLN 75 -15.764 4.200 -7.023 611 2HE2 GLN 75 1HE2 GLN 75 -17.330 4.808 -7.515 612 H ASP 76 H ASP 76 -12.807 1.511 -7.166 613 HA ASP 76 HA ASP 76 -12.099 -0.838 -8.762 614 1HB ASP 76 1HB ASP 76 -12.221 1.335 -9.826 615 2HB ASP 76 2HB ASP 76 -11.001 1.984 -8.726 616 H VAL 77 H VAL 77 -11.405 -2.240 -7.186 617 HA VAL 77 HA VAL 77 -8.788 -1.721 -5.862 618 HB VAL 77 HB VAL 77 -9.159 -4.045 -4.958 619 1HG1 VAL 77 1HG1 VAL 77 -11.078 -1.795 -4.237 620 2HG1 VAL 77 2HG1 VAL 77 -10.835 -3.237 -3.239 621 3HG1 VAL 77 3HG1 VAL 77 -9.481 -2.141 -3.532 622 1HG2 VAL 77 1HG2 VAL 77 -11.020 -4.791 -6.542 623 2HG2 VAL 77 2HG2 VAL 77 -11.335 -4.977 -4.827 624 3HG2 VAL 77 3HG2 VAL 77 -12.083 -3.637 -5.715 625 H GLN 78 H GLN 78 -7.135 -1.875 -7.324 626 HA GLN 78 HA GLN 78 -7.359 -3.755 -9.568 627 1HB GLN 78 1HB GLN 78 -6.427 -1.367 -9.679 628 2HB GLN 78 2HB GLN 78 -4.993 -1.989 -8.876 629 1HG GLN 78 1HG GLN 78 -4.624 -1.978 -11.268 630 2HG GLN 78 2HG GLN 78 -4.711 -3.659 -10.726 631 1HE2 GLN 78 2HE2 GLN 78 -7.060 -1.081 -11.769 632 2HE2 GLN 78 1HE2 GLN 78 -7.941 -2.116 -12.866 633 H ARG 79 H ARG 79 -7.657 -5.366 -7.739 634 HA ARG 79 HA ARG 79 -5.094 -6.484 -6.738 635 1HB ARG 79 1HB ARG 79 -6.380 -7.649 -5.084 636 2HB ARG 79 2HB ARG 79 -6.777 -5.932 -5.064 637 1HG ARG 79 1HG ARG 79 -8.763 -7.045 -4.672 638 2HG ARG 79 2HG ARG 79 -8.898 -6.402 -6.302 639 1HD ARG 79 1HD ARG 79 -7.878 -9.226 -6.053 640 2HD ARG 79 2HD ARG 79 -9.519 -8.978 -5.495 641 HE ARG 79 HE ARG 79 -8.517 -8.753 -8.252 642 1HH1 ARG 79 1HH2 ARG 79 -11.183 -7.928 -6.069 643 2HH1 ARG 79 2HH2 ARG 79 -12.375 -7.814 -7.333 644 1HH2 ARG 79 1HH1 ARG 79 -10.053 -8.558 -9.921 645 2HH2 ARG 79 2HH1 ARG 79 -11.705 -8.126 -9.562 646 H HIS 80 H HIS 80 -4.947 -8.892 -6.743 647 HA HIS 80 HA HIS 80 -6.323 -10.130 -9.074 648 1HB HIS 80 1HB HIS 80 -3.943 -9.297 -9.491 649 2HB HIS 80 2HB HIS 80 -3.421 -10.569 -8.381 650 HD1 HIS 80 HD1 HIS 80 -4.758 -13.101 -9.287 651 HD2 HIS 80 HD2 HIS 80 -3.706 -10.019 -11.947 652 HE1 HIS 80 HE1 HIS 80 -4.640 -14.150 -11.611 653 HA PRO 81 HA PRO 81 -6.807 -13.134 -5.671 654 1HB PRO 81 1HB PRO 81 -8.646 -14.785 -6.774 655 2HB PRO 81 2HB PRO 81 -9.054 -13.101 -6.331 656 1HG PRO 81 1HG PRO 81 -8.249 -14.138 -9.066 657 2HG PRO 81 2HG PRO 81 -9.683 -13.153 -8.658 658 1HD PRO 81 1HD PRO 81 -7.350 -12.072 -9.590 659 2HD PRO 81 2HD PRO 81 -8.368 -11.212 -8.394 660 H TYR 82 H TYR 82 -6.567 -15.550 -5.484 661 HA TYR 82 HA TYR 82 -5.510 -17.487 -5.742 662 1HB TYR 82 1HB TYR 82 -4.893 -16.922 -8.657 663 2HB TYR 82 2HB TYR 82 -5.053 -18.462 -7.840 664 HD1 TYR 82 HD1 TYR 82 -6.650 -16.300 -10.064 665 HD2 TYR 82 HD2 TYR 82 -7.498 -18.746 -6.612 666 HE1 TYR 82 HE1 TYR 82 -9.040 -16.363 -10.694 667 HE2 TYR 82 HE2 TYR 82 -9.891 -18.797 -7.244 668 HH TYR 82 HH TYR 82 -11.480 -18.157 -8.786 669 H LYS 83 H LYS 83 -3.601 -15.403 -7.957 670 HA LYS 83 HA LYS 83 -1.151 -15.985 -6.417 671 1HB LYS 83 1HB LYS 83 0.003 -14.731 -8.201 672 2HB LYS 83 2HB LYS 83 -0.825 -16.201 -8.732 673 1HG LYS 83 1HG LYS 83 -2.585 -14.954 -9.792 674 2HG LYS 83 2HG LYS 83 -2.073 -13.438 -9.032 675 1HD LYS 83 1HD LYS 83 -1.417 -13.453 -11.349 676 2HD LYS 83 2HD LYS 83 0.006 -13.419 -10.296 677 1HE LYS 83 1HE LYS 83 0.382 -15.831 -10.681 678 2HE LYS 83 2HE LYS 83 -1.108 -15.927 -11.643 679 1HZ LYS 83 1HZ LYS 83 1.266 -14.327 -12.297 680 2HZ LYS 83 2HZ LYS 83 0.843 -15.757 -12.996 681 3HZ LYS 83 3HZ LYS 83 -0.107 -14.426 -13.205 682 HA PRO 84 HA PRO 84 -1.886 -12.112 -4.317 683 1HB PRO 84 1HB PRO 84 0.407 -11.817 -2.885 684 2HB PRO 84 2HB PRO 84 -0.754 -13.137 -2.571 685 1HG PRO 84 1HG PRO 84 1.777 -13.293 -4.229 686 2HG PRO 84 2HG PRO 84 1.245 -14.392 -2.925 687 1HD PRO 84 1HD PRO 84 0.793 -14.940 -5.570 688 2HD PRO 84 2HD PRO 84 -0.390 -15.383 -4.299 689 H LYS 85 H LYS 85 -2.064 -10.636 -6.015 690 HA LYS 85 HA LYS 85 0.268 -8.854 -6.226 691 1HB LYS 85 1HB LYS 85 -1.325 -9.865 -8.609 692 2HB LYS 85 2HB LYS 85 -0.456 -8.334 -8.631 693 1HG LYS 85 1HG LYS 85 0.825 -11.060 -8.173 694 2HG LYS 85 2HG LYS 85 0.798 -10.137 -9.680 695 1HD LYS 85 1HD LYS 85 1.946 -8.220 -8.355 696 2HD LYS 85 2HD LYS 85 2.214 -9.419 -7.082 697 1HE LYS 85 1HE LYS 85 4.203 -9.361 -8.355 698 2HE LYS 85 2HE LYS 85 3.389 -10.876 -8.780 699 1HZ LYS 85 1HZ LYS 85 3.337 -8.377 -10.338 700 2HZ LYS 85 2HZ LYS 85 4.239 -9.708 -10.691 701 3HZ LYS 85 3HZ LYS 85 2.595 -9.783 -10.771 702 H LEU 86 H LEU 86 -0.220 -6.786 -6.024 703 HA LEU 86 HA LEU 86 -3.014 -5.865 -6.057 704 1HB LEU 86 1HB LEU 86 -2.502 -6.752 -3.789 705 2HB LEU 86 2HB LEU 86 -1.129 -5.656 -3.659 706 HG LEU 86 HG LEU 86 -2.668 -3.712 -3.760 707 1HD1 LEU 86 1HD1 LEU 86 -4.765 -5.890 -4.022 708 2HD1 LEU 86 2HD1 LEU 86 -5.169 -4.246 -3.494 709 3HD1 LEU 86 3HD1 LEU 86 -4.507 -4.502 -5.109 710 1HD2 LEU 86 1HD2 LEU 86 -2.075 -4.794 -1.587 711 2HD2 LEU 86 2HD2 LEU 86 -3.705 -4.095 -1.556 712 3HD2 LEU 86 3HD2 LEU 86 -3.496 -5.846 -1.732 713 H GLN 87 H GLN 87 -2.664 -4.466 -7.716 714 HA GLN 87 HA GLN 87 -0.132 -3.103 -8.047 715 1HB GLN 87 1HB GLN 87 -2.749 -2.725 -9.552 716 2HB GLN 87 2HB GLN 87 -1.142 -2.220 -10.076 717 1HG GLN 87 1HG GLN 87 -2.141 -5.086 -9.723 718 2HG GLN 87 2HG GLN 87 -1.815 -4.255 -11.240 719 1HE2 GLN 87 2HE2 GLN 87 0.529 -3.342 -11.428 720 2HE2 GLN 87 1HE2 GLN 87 1.801 -4.416 -10.884 721 H HIS 88 H HIS 88 -3.495 -2.055 -7.318 722 HA HIS 88 HA HIS 88 -2.637 0.277 -5.830 723 1HB HIS 88 1HB HIS 88 -2.276 0.941 -8.262 724 2HB HIS 88 2HB HIS 88 -3.996 0.669 -8.536 725 HD1 HIS 88 HD1 HIS 88 -5.554 2.745 -7.930 726 HD2 HIS 88 HD2 HIS 88 -1.591 2.959 -6.499 727 HE1 HIS 88 HE1 HIS 88 -5.236 5.079 -6.987 728 H ILE 89 H ILE 89 -4.556 1.441 -4.977 729 HA ILE 89 HA ILE 89 -7.171 0.312 -5.702 730 HB ILE 89 HB ILE 89 -6.495 0.924 -2.799 731 1HG1 ILE 89 1HG1 ILE 89 -7.198 -1.505 -2.451 732 2HG1 ILE 89 2HG1 ILE 89 -6.855 -1.783 -4.160 733 1HG2 ILE 89 1HG2 ILE 89 -9.008 0.059 -4.279 734 2HG2 ILE 89 2HG2 ILE 89 -8.853 -0.053 -2.523 735 3HG2 ILE 89 3HG2 ILE 89 -8.760 1.516 -3.309 736 1HD1 ILE 89 1HD1 ILE 89 -4.802 -0.538 -2.271 737 2HD1 ILE 89 2HD1 ILE 89 -5.067 -2.282 -2.315 738 3HD1 ILE 89 3HD1 ILE 89 -4.515 -1.457 -3.771 739 H ASP 90 H ASP 90 -8.532 1.869 -6.204 740 HA ASP 90 HA ASP 90 -7.951 4.714 -5.497 741 1HB ASP 90 1HB ASP 90 -9.715 3.446 -7.624 742 2HB ASP 90 2HB ASP 90 -9.584 5.177 -7.313 743 H PHE 91 H PHE 91 -8.601 4.268 -3.289 744 HA PHE 91 HA PHE 91 -11.107 3.090 -2.596 745 1HB PHE 91 1HB PHE 91 -9.316 4.982 -1.035 746 2HB PHE 91 2HB PHE 91 -10.658 4.081 -0.357 747 HD1 PHE 91 HD1 PHE 91 -10.579 1.535 -0.399 748 HD2 PHE 91 HD2 PHE 91 -7.126 4.027 -1.032 749 HE1 PHE 91 HE1 PHE 91 -9.102 -0.315 0.355 750 HE2 PHE 91 HE2 PHE 91 -5.671 2.209 -0.186 751 HZ PHE 91 HZ PHE 91 -6.646 0.029 0.479 752 H VAL 92 H VAL 92 -12.987 4.145 -1.666 753 HA VAL 92 HA VAL 92 -13.378 7.017 -2.378 754 HB VAL 92 HB VAL 92 -15.343 4.749 -2.911 755 1HG1 VAL 92 1HG1 VAL 92 -15.496 7.747 -3.467 756 2HG1 VAL 92 2HG1 VAL 92 -16.676 6.536 -4.007 757 3HG1 VAL 92 3HG1 VAL 92 -16.473 6.856 -2.282 758 1HG2 VAL 92 1HG2 VAL 92 -13.673 6.445 -4.820 759 2HG2 VAL 92 2HG2 VAL 92 -13.577 4.683 -4.598 760 3HG2 VAL 92 3HG2 VAL 92 -15.021 5.406 -5.309 761 H ARG 93 H ARG 93 -14.027 8.134 -0.625 762 HA ARG 93 HA ARG 93 -14.297 6.967 1.898 763 1HB ARG 93 1HB ARG 93 -15.212 9.680 0.889 764 2HB ARG 93 2HB ARG 93 -15.313 9.163 2.580 765 1HG ARG 93 1HG ARG 93 -12.815 8.666 2.498 766 2HG ARG 93 2HG ARG 93 -12.783 9.512 0.935 767 1HD ARG 93 1HD ARG 93 -13.775 11.519 2.056 768 2HD ARG 93 2HD ARG 93 -13.777 10.625 3.594 769 HE ARG 93 HE ARG 93 -11.154 10.717 2.370 770 1HH1 ARG 93 1HH2 ARG 93 -13.426 12.557 4.395 771 2HH1 ARG 93 2HH2 ARG 93 -12.180 13.543 5.115 772 1HH2 ARG 93 1HH1 ARG 93 -9.531 12.027 3.329 773 2HH2 ARG 93 2HH1 ARG 93 -9.961 13.238 4.508 774 H ALA 94 H ALA 94 -15.945 6.503 3.285 775 HA ALA 94 HA ALA 94 -18.491 5.659 2.116 776 1HB ALA 94 1HB ALA 94 -17.284 4.266 3.781 777 2HB ALA 94 2HB ALA 94 -17.433 5.570 4.975 778 3HB ALA 94 3HB ALA 94 -18.889 4.750 4.368 Start of MODEL 9 1 H MET 1 H MET 1 -14.276 -0.337 8.137 2 HA MET 1 HA MET 1 -14.829 -1.807 10.079 3 1HB MET 1 1HB MET 1 -15.740 -3.534 7.769 4 2HB MET 1 2HB MET 1 -15.145 -4.285 9.248 5 1HG MET 1 1HG MET 1 -17.517 -4.160 9.273 6 2HG MET 1 2HG MET 1 -16.842 -3.236 10.607 7 1HE MET 1 1HE MET 1 -17.590 -0.853 11.183 8 2HE MET 1 2HE MET 1 -16.494 -0.240 9.924 9 3HE MET 1 3HE MET 1 -18.168 0.327 9.988 10 H PHE 2 H PHE 2 -13.395 -3.343 7.132 11 HA PHE 2 HA PHE 2 -11.269 -4.544 8.515 12 1HB PHE 2 1HB PHE 2 -11.149 -3.604 5.642 13 2HB PHE 2 2HB PHE 2 -10.190 -4.868 6.381 14 HD1 PHE 2 HD1 PHE 2 -13.414 -4.023 4.858 15 HD2 PHE 2 HD2 PHE 2 -11.216 -7.080 6.956 16 HE1 PHE 2 HE1 PHE 2 -15.228 -5.638 4.398 17 HE2 PHE 2 HE2 PHE 2 -12.996 -8.723 6.403 18 HZ PHE 2 HZ PHE 2 -15.045 -7.983 5.207 19 H THR 3 H THR 3 -9.392 -3.809 9.321 20 HA THR 3 HA THR 3 -9.039 -0.917 9.446 21 HB THR 3 HB THR 3 -7.611 -3.133 10.969 22 HG1 THR 3 HG1 THR 3 -10.094 -1.859 11.428 23 1HG2 THR 3 1HG2 THR 3 -6.654 -0.817 11.181 24 2HG2 THR 3 2HG2 THR 3 -8.262 -0.244 11.695 25 3HG2 THR 3 3HG2 THR 3 -7.369 -1.406 12.694 26 H ILE 4 H ILE 4 -8.180 -0.558 7.272 27 HA ILE 4 HA ILE 4 -5.681 -1.827 6.464 28 HB ILE 4 HB ILE 4 -7.234 0.537 5.357 29 1HG1 ILE 4 1HG1 ILE 4 -7.544 -0.942 3.396 30 2HG1 ILE 4 2HG1 ILE 4 -6.765 -2.277 4.257 31 1HG2 ILE 4 1HG2 ILE 4 -4.670 -0.755 4.341 32 2HG2 ILE 4 2HG2 ILE 4 -5.673 0.363 3.398 33 3HG2 ILE 4 3HG2 ILE 4 -4.869 0.932 4.852 34 1HD1 ILE 4 1HD1 ILE 4 -9.281 -0.861 5.236 35 2HD1 ILE 4 2HD1 ILE 4 -9.308 -2.277 4.181 36 3HD1 ILE 4 3HD1 ILE 4 -8.617 -2.431 5.792 37 H ASN 5 H ASN 5 -3.942 -1.430 7.741 38 HA ASN 5 HA ASN 5 -3.386 1.092 9.037 39 1HB ASN 5 1HB ASN 5 -2.414 -0.967 9.891 40 2HB ASN 5 2HB ASN 5 -1.648 -1.306 8.331 41 1HD2 ASN 5 2HD2 ASN 5 -1.828 1.462 10.683 42 2HD2 ASN 5 1HD2 ASN 5 -0.116 1.821 10.616 43 H ALA 6 H ALA 6 -2.644 2.922 8.069 44 HA ALA 6 HA ALA 6 -1.039 2.771 5.586 45 1HB ALA 6 1HB ALA 6 -3.415 2.931 4.876 46 2HB ALA 6 2HB ALA 6 -3.600 4.390 5.878 47 3HB ALA 6 3HB ALA 6 -2.506 4.399 4.479 48 H GLU 7 H GLU 7 -0.414 5.057 4.957 49 HA GLU 7 HA GLU 7 -0.037 6.959 7.142 50 1HB GLU 7 1HB GLU 7 1.812 5.300 7.417 51 2HB GLU 7 2HB GLU 7 2.271 5.519 5.723 52 1HG GLU 7 1HG GLU 7 3.776 6.700 7.246 53 2HG GLU 7 2HG GLU 7 2.955 7.850 6.195 54 H VAL 8 H VAL 8 0.894 8.995 6.223 55 HA VAL 8 HA VAL 8 -0.163 9.514 3.539 56 HB VAL 8 HB VAL 8 0.456 11.842 3.983 57 1HG1 VAL 8 1HG1 VAL 8 -1.742 10.939 4.651 58 2HG1 VAL 8 2HG1 VAL 8 -1.092 10.553 6.261 59 3HG1 VAL 8 3HG1 VAL 8 -1.197 12.239 5.724 60 1HG2 VAL 8 1HG2 VAL 8 2.447 11.432 5.527 61 2HG2 VAL 8 2HG2 VAL 8 1.266 12.611 6.111 62 3HG2 VAL 8 3HG2 VAL 8 1.287 10.982 6.786 63 H ARG 9 H ARG 9 1.642 7.655 3.109 64 HA ARG 9 HA ARG 9 3.521 7.012 2.122 65 1HB ARG 9 1HB ARG 9 2.308 8.160 0.338 66 2HB ARG 9 2HB ARG 9 3.216 9.650 0.625 67 1HG ARG 9 1HG ARG 9 5.215 8.741 -0.249 68 2HG ARG 9 2HG ARG 9 4.736 7.077 0.109 69 1HD ARG 9 1HD ARG 9 4.660 7.434 -2.283 70 2HD ARG 9 2HD ARG 9 3.029 7.143 -1.649 71 HE ARG 9 HE ARG 9 3.607 9.960 -1.742 72 1HH1 ARG 9 1HH2 ARG 9 2.735 7.208 -3.803 73 2HH1 ARG 9 2HH2 ARG 9 1.981 8.193 -5.031 74 1HH2 ARG 9 1HH1 ARG 9 2.625 11.253 -3.364 75 2HH2 ARG 9 2HH1 ARG 9 1.921 10.512 -4.779 76 H LYS 10 H LYS 10 4.296 7.501 4.440 77 HA LYS 10 HA LYS 10 7.014 8.502 4.101 78 1HB LYS 10 1HB LYS 10 5.497 10.420 4.944 79 2HB LYS 10 2HB LYS 10 5.415 9.570 6.475 80 1HG LYS 10 1HG LYS 10 7.958 10.454 5.012 81 2HG LYS 10 2HG LYS 10 7.154 11.420 6.234 82 1HD LYS 10 1HD LYS 10 8.470 8.705 6.707 83 2HD LYS 10 2HD LYS 10 9.163 10.269 7.088 84 1HE LYS 10 1HE LYS 10 6.625 9.173 8.388 85 2HE LYS 10 2HE LYS 10 8.247 9.173 9.084 86 1HZ LYS 10 1HZ LYS 10 8.217 11.564 8.967 87 2HZ LYS 10 2HZ LYS 10 6.692 11.545 8.336 88 3HZ LYS 10 3HZ LYS 10 6.957 10.992 9.863 89 H GLU 11 H GLU 11 6.710 6.034 4.004 90 HA GLU 11 HA GLU 11 6.413 4.689 6.576 91 1HB GLU 11 1HB GLU 11 7.028 2.679 5.338 92 2HB GLU 11 2HB GLU 11 5.705 3.554 4.556 93 1HG GLU 11 1HG GLU 11 7.252 4.452 2.857 94 2HG GLU 11 2HG GLU 11 8.627 3.706 3.690 95 H GLN 12 H GLN 12 8.060 3.774 7.803 96 HA GLN 12 HA GLN 12 10.045 3.647 8.828 97 1HB GLN 12 1HB GLN 12 10.541 3.017 6.096 98 2HB GLN 12 2HB GLN 12 11.881 4.048 6.564 99 1HG GLN 12 1HG GLN 12 10.922 1.514 7.975 100 2HG GLN 12 2HG GLN 12 12.311 1.641 6.892 101 1HE2 GLN 12 2HE2 GLN 12 11.526 1.437 10.112 102 2HE2 GLN 12 1HE2 GLN 12 12.903 2.270 10.800 103 H GLY 13 H GLY 13 12.519 4.925 8.578 104 1HA GLY 13 1HA GLY 13 11.963 7.649 9.409 105 2HA GLY 13 2HA GLY 13 13.542 6.878 9.180 106 H LYS 14 H LYS 14 12.224 9.484 8.203 107 HA LYS 14 HA LYS 14 12.569 10.918 6.561 108 1HB LYS 14 1HB LYS 14 14.784 9.766 6.326 109 2HB LYS 14 2HB LYS 14 14.099 8.815 4.997 110 1HG LYS 14 1HG LYS 14 13.618 10.899 3.744 111 2HG LYS 14 2HG LYS 14 14.209 11.855 5.112 112 1HD LYS 14 1HD LYS 14 15.949 11.787 3.484 113 2HD LYS 14 2HD LYS 14 16.463 10.800 4.861 114 1HE LYS 14 1HE LYS 14 15.857 8.736 3.609 115 2HE LYS 14 2HE LYS 14 15.253 9.727 2.265 116 1HZ LYS 14 1HZ LYS 14 17.480 10.560 1.989 117 2HZ LYS 14 2HZ LYS 14 18.025 9.629 3.235 118 3HZ LYS 14 3HZ LYS 14 17.449 8.919 1.866 119 H GLY 15 H GLY 15 12.013 7.776 4.871 120 1HA GLY 15 1HA GLY 15 9.560 7.621 4.053 121 2HA GLY 15 2HA GLY 15 9.958 9.080 3.138 122 H ALA 16 H ALA 16 9.858 5.742 2.908 123 HA ALA 16 HA ALA 16 12.172 5.265 1.253 124 1HB ALA 16 1HB ALA 16 10.982 3.482 2.524 125 2HB ALA 16 2HB ALA 16 9.577 3.696 1.452 126 3HB ALA 16 3HB ALA 16 11.114 3.115 0.792 127 H SER 17 H SER 17 12.284 5.055 -1.015 128 HA SER 17 HA SER 17 10.033 5.447 -2.754 129 1HB SER 17 1HB SER 17 10.437 7.821 -2.010 130 2HB SER 17 2HB SER 17 12.095 7.699 -2.626 131 HG SER 17 HG SER 17 10.581 8.636 -4.106 132 H ARG 18 H ARG 18 10.896 5.684 -5.064 133 HA ARG 18 HA ARG 18 11.884 4.590 -6.785 134 1HB ARG 18 1HB ARG 18 14.366 5.494 -5.266 135 2HB ARG 18 2HB ARG 18 14.336 4.942 -6.950 136 1HG ARG 18 1HG ARG 18 12.739 6.745 -7.531 137 2HG ARG 18 2HG ARG 18 12.842 7.369 -5.870 138 1HD ARG 18 1HD ARG 18 15.245 7.764 -6.132 139 2HD ARG 18 2HD ARG 18 15.215 7.031 -7.753 140 HE ARG 18 HE ARG 18 13.322 9.141 -7.684 141 1HH1 ARG 18 1HH2 ARG 18 16.840 8.675 -7.616 142 2HH1 ARG 18 2HH2 ARG 18 17.185 10.188 -8.415 143 1HH2 ARG 18 1HH1 ARG 18 13.786 11.121 -8.740 144 2HH2 ARG 18 2HH1 ARG 18 15.439 11.586 -9.054 145 H ARG 19 H ARG 19 10.919 2.726 -5.155 146 HA ARG 19 HA ARG 19 12.477 0.423 -5.849 147 1HB ARG 19 1HB ARG 19 13.738 1.064 -3.795 148 2HB ARG 19 2HB ARG 19 12.232 1.049 -2.865 149 1HG ARG 19 1HG ARG 19 11.961 -1.380 -3.377 150 2HG ARG 19 2HG ARG 19 13.446 -1.329 -4.349 151 1HD ARG 19 1HD ARG 19 14.731 -0.699 -2.321 152 2HD ARG 19 2HD ARG 19 13.228 -0.732 -1.370 153 HE ARG 19 HE ARG 19 13.582 -3.216 -2.748 154 1HH1 ARG 19 1HH2 ARG 19 14.897 -1.405 0.006 155 2HH1 ARG 19 2HH2 ARG 19 15.393 -2.837 0.872 156 1HH2 ARG 19 1HH1 ARG 19 14.241 -5.086 -1.607 157 2HH2 ARG 19 2HH1 ARG 19 15.017 -4.941 -0.052 158 H LEU 20 H LEU 20 10.016 1.673 -3.565 159 HA LEU 20 HA LEU 20 8.633 -0.681 -3.259 160 1HB LEU 20 1HB LEU 20 6.860 0.648 -2.238 161 2HB LEU 20 2HB LEU 20 8.479 1.107 -1.724 162 HG LEU 20 HG LEU 20 8.230 3.005 -3.580 163 1HD1 LEU 20 1HD1 LEU 20 5.328 2.341 -2.883 164 2HD1 LEU 20 2HD1 LEU 20 5.871 3.839 -3.660 165 3HD1 LEU 20 3HD1 LEU 20 6.031 2.301 -4.504 166 1HD2 LEU 20 1HD2 LEU 20 6.792 3.054 -0.895 167 2HD2 LEU 20 2HD2 LEU 20 8.517 3.381 -1.168 168 3HD2 LEU 20 3HD2 LEU 20 7.296 4.479 -1.830 169 H ARG 21 H ARG 21 8.294 1.536 -5.971 170 HA ARG 21 HA ARG 21 5.701 0.525 -6.782 171 1HB ARG 21 1HB ARG 21 6.637 2.823 -7.275 172 2HB ARG 21 2HB ARG 21 7.723 2.062 -8.442 173 1HG ARG 21 1HG ARG 21 5.528 1.045 -9.483 174 2HG ARG 21 2HG ARG 21 4.672 2.171 -8.421 175 1HD ARG 21 1HD ARG 21 4.883 3.196 -10.578 176 2HD ARG 21 2HD ARG 21 5.992 4.053 -9.485 177 HE ARG 21 HE ARG 21 7.418 1.935 -10.710 178 1HH1 ARG 21 1HH2 ARG 21 5.876 4.982 -11.675 179 2HH1 ARG 21 2HH2 ARG 21 6.912 5.217 -13.059 180 1HH2 ARG 21 1HH1 ARG 21 8.770 2.249 -12.527 181 2HH2 ARG 21 2HH1 ARG 21 8.570 3.653 -13.545 182 H ALA 22 H ALA 22 6.457 -1.754 -6.476 183 HA ALA 22 HA ALA 22 7.041 -3.057 -8.995 184 1HB ALA 22 1HB ALA 22 9.119 -3.152 -6.755 185 2HB ALA 22 2HB ALA 22 9.093 -4.210 -8.183 186 3HB ALA 22 3HB ALA 22 9.347 -2.466 -8.375 187 H ALA 23 H ALA 23 7.284 -3.572 -5.418 188 HA ALA 23 HA ALA 23 5.009 -5.368 -5.406 189 1HB ALA 23 1HB ALA 23 7.796 -6.547 -5.010 190 2HB ALA 23 2HB ALA 23 6.265 -7.361 -4.619 191 3HB ALA 23 3HB ALA 23 6.647 -6.948 -6.299 192 H ASN 24 H ASN 24 8.034 -5.035 -3.459 193 HA ASN 24 HA ASN 24 6.734 -5.265 -0.973 194 1HB ASN 24 1HB ASN 24 9.118 -5.690 -1.299 195 2HB ASN 24 2HB ASN 24 9.396 -3.992 -1.722 196 1HD2 ASN 24 2HD2 ASN 24 10.973 -3.884 0.012 197 2HD2 ASN 24 1HD2 ASN 24 10.445 -3.734 1.677 198 H LYS 25 H LYS 25 5.154 -3.912 -0.354 199 HA LYS 25 HA LYS 25 3.923 -2.121 0.149 200 1HB LYS 25 1HB LYS 25 6.424 -0.409 -0.250 201 2HB LYS 25 2HB LYS 25 4.896 0.155 0.391 202 1HG LYS 25 1HG LYS 25 6.457 -2.119 1.703 203 2HG LYS 25 2HG LYS 25 6.754 -0.419 2.055 204 1HD LYS 25 1HD LYS 25 4.357 -0.116 2.675 205 2HD LYS 25 2HD LYS 25 4.110 -1.852 2.398 206 1HE LYS 25 1HE LYS 25 5.858 -2.330 4.143 207 2HE LYS 25 2HE LYS 25 5.952 -0.586 4.462 208 1HZ LYS 25 1HZ LYS 25 3.575 -0.694 4.990 209 2HZ LYS 25 2HZ LYS 25 3.620 -2.339 4.804 210 3HZ LYS 25 3HZ LYS 25 4.495 -1.624 5.995 211 H PHE 26 H PHE 26 2.678 -0.399 -0.947 212 HA PHE 26 HA PHE 26 3.418 0.224 -3.671 213 1HB PHE 26 1HB PHE 26 1.659 -0.904 -4.826 214 2HB PHE 26 2HB PHE 26 2.485 -2.120 -3.877 215 HD1 PHE 26 HD1 PHE 26 -0.652 -0.455 -4.557 216 HD2 PHE 26 HD2 PHE 26 1.407 -2.898 -1.663 217 HE1 PHE 26 HE1 PHE 26 -2.785 -0.856 -3.382 218 HE2 PHE 26 HE2 PHE 26 -0.756 -3.401 -0.559 219 HZ PHE 26 HZ PHE 26 -2.860 -2.389 -1.418 220 HA PRO 27 HA PRO 27 0.933 3.653 -2.481 221 1HB PRO 27 1HB PRO 27 0.523 4.969 -4.836 222 2HB PRO 27 2HB PRO 27 2.144 4.795 -4.105 223 1HG PRO 27 1HG PRO 27 0.907 3.052 -6.257 224 2HG PRO 27 2HG PRO 27 2.509 3.850 -6.286 225 1HD PRO 27 1HD PRO 27 2.231 1.258 -5.529 226 2HD PRO 27 2HD PRO 27 3.385 2.338 -4.688 227 H ALA 28 H ALA 28 -1.191 4.433 -2.400 228 HA ALA 28 HA ALA 28 -3.255 3.437 -4.235 229 1HB ALA 28 1HB ALA 28 -3.414 3.050 -1.221 230 2HB ALA 28 2HB ALA 28 -4.754 2.816 -2.355 231 3HB ALA 28 3HB ALA 28 -3.323 1.763 -2.448 232 H ILE 29 H ILE 29 -5.308 4.719 -3.837 233 HA ILE 29 HA ILE 29 -4.680 7.475 -2.861 234 HB ILE 29 HB ILE 29 -5.775 6.577 -5.536 235 1HG1 ILE 29 1HG1 ILE 29 -3.421 8.377 -4.764 236 2HG1 ILE 29 2HG1 ILE 29 -3.282 6.693 -5.268 237 1HG2 ILE 29 1HG2 ILE 29 -7.171 8.476 -4.720 238 2HG2 ILE 29 2HG2 ILE 29 -5.691 9.430 -4.498 239 3HG2 ILE 29 3HG2 ILE 29 -6.196 8.883 -6.113 240 1HD1 ILE 29 1HD1 ILE 29 -4.345 7.332 -7.475 241 2HD1 ILE 29 2HD1 ILE 29 -4.154 9.035 -6.984 242 3HD1 ILE 29 3HD1 ILE 29 -2.732 8.001 -7.156 243 H ILE 30 H ILE 30 -6.317 8.610 -1.986 244 HA ILE 30 HA ILE 30 -8.969 7.268 -1.648 245 HB ILE 30 HB ILE 30 -7.664 9.364 0.118 246 1HG1 ILE 30 1HG1 ILE 30 -8.081 6.377 0.576 247 2HG1 ILE 30 2HG1 ILE 30 -6.534 7.225 0.408 248 1HG2 ILE 30 1HG2 ILE 30 -10.166 9.489 -0.036 249 2HG2 ILE 30 2HG2 ILE 30 -10.257 7.786 0.456 250 3HG2 ILE 30 3HG2 ILE 30 -9.618 9.026 1.560 251 1HD1 ILE 30 1HD1 ILE 30 -7.150 8.596 2.453 252 2HD1 ILE 30 2HD1 ILE 30 -8.522 7.483 2.696 253 3HD1 ILE 30 3HD1 ILE 30 -6.876 6.874 2.747 254 H TYR 31 H TYR 31 -10.117 7.986 -3.339 255 HA TYR 31 HA TYR 31 -10.147 10.797 -4.199 256 1HB TYR 31 1HB TYR 31 -11.897 8.422 -4.930 257 2HB TYR 31 2HB TYR 31 -11.938 10.003 -5.699 258 HD1 TYR 31 HD1 TYR 31 -10.459 10.504 -7.521 259 HD2 TYR 31 HD2 TYR 31 -9.781 6.978 -5.121 260 HE1 TYR 31 HE1 TYR 31 -8.800 9.681 -9.169 261 HE2 TYR 31 HE2 TYR 31 -8.027 6.261 -6.677 262 HH TYR 31 HH TYR 31 -7.289 6.455 -8.855 263 H GLY 32 H GLY 32 -12.401 11.874 -4.233 264 1HA GLY 32 1HA GLY 32 -14.284 11.108 -2.143 265 2HA GLY 32 2HA GLY 32 -13.246 12.479 -1.700 266 H GLY 33 H GLY 33 -13.268 14.393 -3.114 267 1HA GLY 33 1HA GLY 33 -15.119 14.822 -5.203 268 2HA GLY 33 2HA GLY 33 -15.921 15.247 -3.677 269 H LYS 34 H LYS 34 -15.136 17.025 -2.444 270 HA LYS 34 HA LYS 34 -13.814 19.108 -3.911 271 1HB LYS 34 1HB LYS 34 -15.489 19.542 -2.159 272 2HB LYS 34 2HB LYS 34 -14.392 18.893 -0.925 273 1HG LYS 34 1HG LYS 34 -12.744 20.659 -1.427 274 2HG LYS 34 2HG LYS 34 -13.753 21.236 -2.771 275 1HD LYS 34 1HD LYS 34 -15.538 21.861 -1.171 276 2HD LYS 34 2HD LYS 34 -14.585 21.192 0.164 277 1HE LYS 34 1HE LYS 34 -14.356 23.622 0.121 278 2HE LYS 34 2HE LYS 34 -12.799 22.858 -0.240 279 1HZ LYS 34 1HZ LYS 34 -14.659 23.971 -2.229 280 2HZ LYS 34 2HZ LYS 34 -13.279 24.694 -1.693 281 3HZ LYS 34 3HZ LYS 34 -13.190 23.295 -2.554 282 H GLU 35 H GLU 35 -12.810 16.956 -1.206 283 HA GLU 35 HA GLU 35 -10.103 17.834 -1.057 284 1HB GLU 35 1HB GLU 35 -11.416 15.170 -0.371 285 2HB GLU 35 2HB GLU 35 -9.737 15.582 0.010 286 1HG GLU 35 1HG GLU 35 -10.461 17.482 1.381 287 2HG GLU 35 2HG GLU 35 -12.158 17.152 0.997 288 H ALA 36 H ALA 36 -8.476 17.530 -2.436 289 HA ALA 36 HA ALA 36 -8.716 16.266 -4.945 290 1HB ALA 36 1HB ALA 36 -6.252 17.054 -3.321 291 2HB ALA 36 2HB ALA 36 -6.237 16.669 -5.052 292 3HB ALA 36 3HB ALA 36 -7.134 18.084 -4.471 293 HA PRO 37 HA PRO 37 -7.939 12.037 -3.925 294 1HB PRO 37 1HB PRO 37 -6.788 11.024 -6.191 295 2HB PRO 37 2HB PRO 37 -8.469 11.603 -6.106 296 1HG PRO 37 1HG PRO 37 -6.042 13.143 -7.059 297 2HG PRO 37 2HG PRO 37 -7.595 12.911 -7.916 298 1HD PRO 37 1HD PRO 37 -7.135 15.139 -6.463 299 2HD PRO 37 2HD PRO 37 -8.734 14.351 -6.406 300 H LEU 38 H LEU 38 -6.476 12.699 -2.183 301 HA LEU 38 HA LEU 38 -3.655 12.833 -2.607 302 1HB LEU 38 1HB LEU 38 -3.385 13.031 -0.286 303 2HB LEU 38 2HB LEU 38 -4.762 13.992 -0.791 304 HG LEU 38 HG LEU 38 -5.166 13.079 1.337 305 1HD1 LEU 38 1HD1 LEU 38 -7.126 13.208 -0.156 306 2HD1 LEU 38 2HD1 LEU 38 -6.896 11.492 -0.571 307 3HD1 LEU 38 3HD1 LEU 38 -7.288 11.959 1.090 308 1HD2 LEU 38 1HD2 LEU 38 -3.637 11.081 1.172 309 2HD2 LEU 38 2HD2 LEU 38 -5.169 10.841 2.028 310 3HD2 LEU 38 3HD2 LEU 38 -4.980 10.207 0.396 311 H ALA 39 H ALA 39 -2.020 11.442 -1.720 312 HA ALA 39 HA ALA 39 -2.631 8.612 -2.364 313 1HB ALA 39 1HB ALA 39 -1.061 9.789 -3.841 314 2HB ALA 39 2HB ALA 39 -0.029 10.167 -2.442 315 3HB ALA 39 3HB ALA 39 -0.261 8.478 -2.951 316 H ILE 40 H ILE 40 -1.686 6.941 -1.210 317 HA ILE 40 HA ILE 40 -0.339 7.409 1.363 318 HB ILE 40 HB ILE 40 -1.890 5.764 2.448 319 1HG1 ILE 40 1HG1 ILE 40 -3.716 6.252 0.045 320 2HG1 ILE 40 2HG1 ILE 40 -2.784 4.773 0.324 321 1HG2 ILE 40 1HG2 ILE 40 -2.110 8.262 2.738 322 2HG2 ILE 40 2HG2 ILE 40 -3.403 8.233 1.522 323 3HG2 ILE 40 3HG2 ILE 40 -3.585 7.348 3.048 324 1HD1 ILE 40 1HD1 ILE 40 -3.998 4.481 2.505 325 2HD1 ILE 40 2HD1 ILE 40 -5.009 5.869 2.065 326 3HD1 ILE 40 3HD1 ILE 40 -5.042 4.410 1.066 327 H GLU 41 H GLU 41 0.373 5.188 2.227 328 HA GLU 41 HA GLU 41 1.099 3.344 -0.021 329 1HB GLU 41 1HB GLU 41 2.641 4.201 2.449 330 2HB GLU 41 2HB GLU 41 3.040 2.736 1.549 331 1HG GLU 41 1HG GLU 41 2.926 5.521 0.326 332 2HG GLU 41 2HG GLU 41 4.407 4.710 0.871 333 H LEU 42 H LEU 42 0.495 1.321 0.137 334 HA LEU 42 HA LEU 42 -0.736 0.279 2.658 335 1HB LEU 42 1HB LEU 42 -1.557 0.216 -0.234 336 2HB LEU 42 2HB LEU 42 -1.797 -1.253 0.715 337 HG LEU 42 HG LEU 42 -3.181 -0.150 2.325 338 1HD1 LEU 42 1HD1 LEU 42 -2.563 2.409 0.818 339 2HD1 LEU 42 2HD1 LEU 42 -3.963 2.210 1.900 340 3HD1 LEU 42 3HD1 LEU 42 -2.329 2.065 2.547 341 1HD2 LEU 42 1HD2 LEU 42 -4.125 -0.975 0.120 342 2HD2 LEU 42 2HD2 LEU 42 -5.090 0.262 0.933 343 3HD2 LEU 42 3HD2 LEU 42 -4.073 0.692 -0.458 344 H ASP 43 H ASP 43 -0.583 -2.008 2.932 345 HA ASP 43 HA ASP 43 2.197 -2.806 2.546 346 1HB ASP 43 1HB ASP 43 1.153 -2.658 4.781 347 2HB ASP 43 2HB ASP 43 0.034 -3.953 4.334 348 H HIS 44 H HIS 44 2.855 -4.315 1.155 349 HA HIS 44 HA HIS 44 0.973 -5.940 -0.374 350 1HB HIS 44 1HB HIS 44 2.938 -4.788 -1.346 351 2HB HIS 44 2HB HIS 44 4.009 -5.843 -0.426 352 HD1 HIS 44 HD1 HIS 44 3.530 -8.616 -1.073 353 HD2 HIS 44 HD2 HIS 44 2.475 -5.568 -3.765 354 HE1 HIS 44 HE1 HIS 44 3.400 -9.698 -3.395 355 H ASP 45 H ASP 45 0.281 -6.825 1.823 356 HA ASP 45 HA ASP 45 0.661 -9.569 1.843 357 1HB ASP 45 1HB ASP 45 2.827 -9.501 2.841 358 2HB ASP 45 2HB ASP 45 2.387 -8.173 3.920 359 H LYS 46 H LYS 46 0.475 -7.144 4.488 360 HA LYS 46 HA LYS 46 -1.580 -8.470 5.837 361 1HB LYS 46 1HB LYS 46 0.033 -6.818 6.741 362 2HB LYS 46 2HB LYS 46 -0.875 -5.510 5.984 363 1HG LYS 46 1HG LYS 46 -2.829 -5.955 7.282 364 2HG LYS 46 2HG LYS 46 -2.190 -7.473 7.924 365 1HD LYS 46 1HD LYS 46 -0.703 -4.877 8.441 366 2HD LYS 46 2HD LYS 46 -2.169 -5.252 9.351 367 1HE LYS 46 1HE LYS 46 -0.225 -5.958 10.619 368 2HE LYS 46 2HE LYS 46 -1.224 -7.350 10.179 369 1HZ LYS 46 1HZ LYS 46 1.230 -6.523 8.788 370 2HZ LYS 46 2HZ LYS 46 1.124 -7.742 9.891 371 3HZ LYS 46 3HZ LYS 46 0.329 -7.862 8.457 372 H VAL 47 H VAL 47 -1.771 -5.693 3.560 373 HA VAL 47 HA VAL 47 -4.598 -5.359 3.765 374 HB VAL 47 HB VAL 47 -2.707 -4.632 1.492 375 1HG1 VAL 47 1HG1 VAL 47 -5.571 -3.772 2.087 376 2HG1 VAL 47 2HG1 VAL 47 -4.497 -3.008 0.898 377 3HG1 VAL 47 3HG1 VAL 47 -4.997 -4.678 0.666 378 1HG2 VAL 47 1HG2 VAL 47 -3.830 -3.009 3.827 379 2HG2 VAL 47 2HG2 VAL 47 -2.148 -3.546 3.675 380 3HG2 VAL 47 3HG2 VAL 47 -2.804 -2.387 2.520 381 H MET 48 H MET 48 -2.558 -7.200 1.431 382 HA MET 48 HA MET 48 -4.535 -8.335 -0.178 383 1HB MET 48 1HB MET 48 -2.434 -8.773 -0.945 384 2HB MET 48 2HB MET 48 -1.752 -9.025 0.643 385 1HG MET 48 1HG MET 48 -1.668 -11.013 -0.721 386 2HG MET 48 2HG MET 48 -2.564 -11.278 0.762 387 1HE MET 48 1HE MET 48 -2.927 -10.396 -3.035 388 2HE MET 48 2HE MET 48 -4.606 -10.881 -3.380 389 3HE MET 48 3HE MET 48 -4.281 -9.451 -2.378 390 H ASN 49 H ASN 49 -3.299 -9.609 2.939 391 HA ASN 49 HA ASN 49 -4.964 -11.887 3.044 392 1HB ASN 49 1HB ASN 49 -3.805 -10.266 5.343 393 2HB ASN 49 2HB ASN 49 -4.407 -11.928 5.441 394 1HD2 ASN 49 2HD2 ASN 49 -1.653 -10.800 5.967 395 2HD2 ASN 49 1HD2 ASN 49 -0.574 -11.648 4.880 396 H MET 50 H MET 50 -5.522 -8.545 4.260 397 HA MET 50 HA MET 50 -8.125 -9.070 5.361 398 1HB MET 50 1HB MET 50 -6.784 -6.514 4.399 399 2HB MET 50 2HB MET 50 -8.384 -6.565 5.145 400 1HG MET 50 1HG MET 50 -7.505 -7.470 7.191 401 2HG MET 50 2HG MET 50 -5.893 -7.658 6.493 402 1HE MET 50 1HE MET 50 -4.884 -6.508 8.611 403 2HE MET 50 2HE MET 50 -5.332 -4.887 9.184 404 3HE MET 50 3HE MET 50 -6.497 -6.225 9.305 405 H GLN 51 H GLN 51 -6.999 -8.310 2.052 406 HA GLN 51 HA GLN 51 -9.550 -7.516 1.100 407 1HB GLN 51 1HB GLN 51 -7.156 -8.496 -0.478 408 2HB GLN 51 2HB GLN 51 -8.637 -7.819 -1.144 409 1HG GLN 51 1HG GLN 51 -7.737 -5.955 0.833 410 2HG GLN 51 2HG GLN 51 -6.295 -6.506 -0.017 411 1HE2 GLN 51 2HE2 GLN 51 -9.557 -6.012 -1.491 412 2HE2 GLN 51 1HE2 GLN 51 -9.010 -4.735 -2.556 413 H ALA 52 H ALA 52 -7.727 -10.510 0.444 414 HA ALA 52 HA ALA 52 -8.293 -12.587 -0.107 415 1HB ALA 52 1HB ALA 52 -9.483 -12.585 2.033 416 2HB ALA 52 2HB ALA 52 -10.980 -12.063 1.237 417 3HB ALA 52 3HB ALA 52 -10.266 -13.633 0.836 418 H LYS 53 H LYS 53 -11.476 -10.972 -0.637 419 HA LYS 53 HA LYS 53 -11.232 -11.189 -3.513 420 1HB LYS 53 1HB LYS 53 -12.010 -13.495 -2.380 421 2HB LYS 53 2HB LYS 53 -13.592 -12.766 -2.444 422 1HG LYS 53 1HG LYS 53 -11.608 -13.213 -4.734 423 2HG LYS 53 2HG LYS 53 -13.034 -14.193 -4.376 424 1HD LYS 53 1HD LYS 53 -14.517 -12.287 -4.939 425 2HD LYS 53 2HD LYS 53 -13.097 -11.264 -5.239 426 1HE LYS 53 1HE LYS 53 -13.971 -12.034 -7.350 427 2HE LYS 53 2HE LYS 53 -12.380 -12.760 -7.070 428 1HZ LYS 53 1HZ LYS 53 -14.970 -14.083 -6.622 429 2HZ LYS 53 2HZ LYS 53 -13.973 -14.333 -7.907 430 3HZ LYS 53 3HZ LYS 53 -13.488 -14.770 -6.397 431 H ALA 54 H ALA 54 -14.483 -11.204 -3.128 432 HA ALA 54 HA ALA 54 -14.690 -8.411 -3.534 433 1HB ALA 54 1HB ALA 54 -16.213 -10.036 -4.557 434 2HB ALA 54 2HB ALA 54 -16.841 -10.485 -2.955 435 3HB ALA 54 3HB ALA 54 -17.119 -8.851 -3.595 436 H GLU 55 H GLU 55 -15.313 -10.490 -0.791 437 HA GLU 55 HA GLU 55 -16.556 -9.478 1.217 438 1HB GLU 55 1HB GLU 55 -15.021 -11.371 1.285 439 2HB GLU 55 2HB GLU 55 -13.618 -10.294 1.264 440 1HG GLU 55 1HG GLU 55 -14.316 -9.359 3.455 441 2HG GLU 55 2HG GLU 55 -15.695 -10.474 3.487 442 H PHE 56 H PHE 56 -13.323 -8.178 0.494 443 HA PHE 56 HA PHE 56 -12.892 -6.313 2.381 444 1HB PHE 56 1HB PHE 56 -11.497 -7.042 0.406 445 2HB PHE 56 2HB PHE 56 -12.360 -5.916 -0.597 446 HD1 PHE 56 HD1 PHE 56 -11.376 -3.776 -0.909 447 HD2 PHE 56 HD2 PHE 56 -10.492 -5.977 2.697 448 HE1 PHE 56 HE1 PHE 56 -9.498 -2.238 -0.424 449 HE2 PHE 56 HE2 PHE 56 -8.625 -4.429 3.181 450 HZ PHE 56 HZ PHE 56 -8.094 -2.580 1.599 451 H TYR 57 H TYR 57 -14.444 -5.455 -0.762 452 HA TYR 57 HA TYR 57 -15.257 -2.838 0.308 453 1HB TYR 57 1HB TYR 57 -15.989 -2.433 -2.021 454 2HB TYR 57 2HB TYR 57 -14.278 -2.784 -1.816 455 HD1 TYR 57 HD1 TYR 57 -13.236 -4.728 -2.802 456 HD2 TYR 57 HD2 TYR 57 -17.494 -4.121 -3.113 457 HE1 TYR 57 HE1 TYR 57 -13.343 -6.395 -4.632 458 HE2 TYR 57 HE2 TYR 57 -17.592 -5.775 -4.955 459 HH TYR 57 HH TYR 57 -16.394 -7.196 -6.317 460 H SER 58 H SER 58 -16.685 -5.989 0.046 461 HA SER 58 HA SER 58 -19.401 -5.216 -0.278 462 1HB SER 58 1HB SER 58 -18.268 -7.606 1.233 463 2HB SER 58 2HB SER 58 -19.924 -7.410 0.644 464 HG SER 58 HG SER 58 -18.563 -8.623 -0.771 465 H GLU 59 H GLU 59 -17.517 -5.923 2.734 466 HA GLU 59 HA GLU 59 -19.802 -4.944 4.338 467 1HB GLU 59 1HB GLU 59 -17.321 -6.494 5.141 468 2HB GLU 59 2HB GLU 59 -18.721 -6.134 6.165 469 1HG GLU 59 1HG GLU 59 -20.185 -7.404 4.614 470 2HG GLU 59 2HG GLU 59 -18.771 -7.833 3.636 471 H VAL 60 H VAL 60 -18.100 -2.926 3.022 472 HA VAL 60 HA VAL 60 -17.372 -0.873 3.455 473 HB VAL 60 HB VAL 60 -18.356 -1.342 6.297 474 1HG1 VAL 60 1HG1 VAL 60 -17.762 1.245 4.817 475 2HG1 VAL 60 2HG1 VAL 60 -18.647 1.124 6.349 476 3HG1 VAL 60 3HG1 VAL 60 -16.955 0.644 6.290 477 1HG2 VAL 60 1HG2 VAL 60 -19.744 -0.160 3.859 478 2HG2 VAL 60 2HG2 VAL 60 -20.139 -1.714 4.624 479 3HG2 VAL 60 3HG2 VAL 60 -20.403 -0.208 5.506 480 H LEU 61 H LEU 61 -15.637 0.443 4.360 481 HA LEU 61 HA LEU 61 -13.339 -1.211 5.328 482 1HB LEU 61 1HB LEU 61 -13.662 0.633 2.933 483 2HB LEU 61 2HB LEU 61 -12.064 0.159 3.548 484 HG LEU 61 HG LEU 61 -14.104 -1.948 2.817 485 1HD1 LEU 61 1HD1 LEU 61 -12.278 -0.427 0.918 486 2HD1 LEU 61 2HD1 LEU 61 -13.063 -1.975 0.539 487 3HD1 LEU 61 3HD1 LEU 61 -14.051 -0.535 0.865 488 1HD2 LEU 61 1HD2 LEU 61 -11.899 -2.390 4.041 489 2HD2 LEU 61 2HD2 LEU 61 -12.134 -3.280 2.532 490 3HD2 LEU 61 3HD2 LEU 61 -11.072 -1.850 2.574 491 H THR 62 H THR 62 -11.525 0.040 6.127 492 HA THR 62 HA THR 62 -12.085 2.817 7.013 493 HB THR 62 HB THR 62 -11.212 0.560 8.879 494 HG1 THR 62 HG1 THR 62 -13.234 0.760 9.774 495 1HG2 THR 62 1HG2 THR 62 -11.941 3.475 9.403 496 2HG2 THR 62 2HG2 THR 62 -11.580 2.254 10.643 497 3HG2 THR 62 3HG2 THR 62 -10.315 2.774 9.522 498 H ILE 63 H ILE 63 -10.317 3.984 6.326 499 HA ILE 63 HA ILE 63 -7.650 2.657 6.257 500 HB ILE 63 HB ILE 63 -8.278 5.498 5.444 501 1HG1 ILE 63 1HG1 ILE 63 -9.588 4.277 3.940 502 2HG1 ILE 63 2HG1 ILE 63 -8.116 4.713 3.094 503 1HG2 ILE 63 1HG2 ILE 63 -5.931 3.630 4.923 504 2HG2 ILE 63 2HG2 ILE 63 -6.117 5.258 4.249 505 3HG2 ILE 63 3HG2 ILE 63 -5.945 5.043 5.990 506 1HD1 ILE 63 1HD1 ILE 63 -7.226 2.401 3.439 507 2HD1 ILE 63 2HD1 ILE 63 -8.761 1.953 4.229 508 3HD1 ILE 63 3HD1 ILE 63 -8.749 2.445 2.536 509 H VAL 64 H VAL 64 -6.589 2.644 8.133 510 HA VAL 64 HA VAL 64 -6.850 4.847 10.104 511 HB VAL 64 HB VAL 64 -5.244 2.258 10.143 512 1HG1 VAL 64 1HG1 VAL 64 -5.734 4.341 12.315 513 2HG1 VAL 64 2HG1 VAL 64 -4.895 2.796 12.534 514 3HG1 VAL 64 3HG1 VAL 64 -4.172 4.050 11.523 515 1HG2 VAL 64 1HG2 VAL 64 -7.830 3.101 11.523 516 2HG2 VAL 64 2HG2 VAL 64 -7.640 1.810 10.313 517 3HG2 VAL 64 3HG2 VAL 64 -6.894 1.647 11.914 518 H VAL 65 H VAL 65 -6.043 6.537 8.838 519 HA VAL 65 HA VAL 65 -3.201 6.366 7.944 520 HB VAL 65 HB VAL 65 -4.601 7.061 6.198 521 1HG1 VAL 65 1HG1 VAL 65 -6.584 7.895 7.394 522 2HG1 VAL 65 2HG1 VAL 65 -5.689 9.351 7.889 523 3HG1 VAL 65 3HG1 VAL 65 -5.998 9.035 6.179 524 1HG2 VAL 65 1HG2 VAL 65 -2.400 8.154 6.448 525 2HG2 VAL 65 2HG2 VAL 65 -3.579 9.185 5.618 526 3HG2 VAL 65 3HG2 VAL 65 -3.170 9.501 7.314 527 H ASP 66 H ASP 66 -1.960 6.664 9.667 528 HA ASP 66 HA ASP 66 -1.169 7.352 11.643 529 1HB ASP 66 1HB ASP 66 -0.544 9.266 10.227 530 2HB ASP 66 2HB ASP 66 -2.064 10.082 10.622 531 H GLY 67 H GLY 67 -3.278 6.070 12.255 532 1HA GLY 67 1HA GLY 67 -4.642 5.758 14.082 533 2HA GLY 67 2HA GLY 67 -4.426 7.443 14.557 534 H LYS 68 H LYS 68 -5.328 8.753 12.202 535 HA LYS 68 HA LYS 68 -8.031 8.935 12.888 536 1HB LYS 68 1HB LYS 68 -6.524 10.713 11.953 537 2HB LYS 68 2HB LYS 68 -6.734 9.996 10.347 538 1HG LYS 68 1HG LYS 68 -9.200 10.356 10.539 539 2HG LYS 68 2HG LYS 68 -8.954 11.055 12.157 540 1HD LYS 68 1HD LYS 68 -7.409 12.765 11.089 541 2HD LYS 68 2HD LYS 68 -7.918 12.159 9.506 542 1HE LYS 68 1HE LYS 68 -9.715 13.376 11.665 543 2HE LYS 68 2HE LYS 68 -9.175 14.184 10.185 544 1HZ LYS 68 1HZ LYS 68 -10.370 12.551 8.921 545 2HZ LYS 68 2HZ LYS 68 -10.883 11.798 10.295 546 3HZ LYS 68 3HZ LYS 68 -11.378 13.332 9.961 547 H GLU 69 H GLU 69 -9.694 7.660 12.387 548 HA GLU 69 HA GLU 69 -9.668 5.703 10.246 549 1HB GLU 69 1HB GLU 69 -11.811 6.635 12.200 550 2HB GLU 69 2HB GLU 69 -12.037 5.367 10.988 551 1HG GLU 69 1HG GLU 69 -10.155 4.078 12.000 552 2HG GLU 69 2HG GLU 69 -10.010 5.317 13.259 553 H ILE 70 H ILE 70 -9.577 6.713 8.242 554 HA ILE 70 HA ILE 70 -11.778 8.562 7.459 555 HB ILE 70 HB ILE 70 -9.471 7.395 5.872 556 1HG1 ILE 70 1HG1 ILE 70 -8.659 8.983 7.544 557 2HG1 ILE 70 2HG1 ILE 70 -8.498 9.609 5.905 558 1HG2 ILE 70 1HG2 ILE 70 -11.627 9.404 5.110 559 2HG2 ILE 70 2HG2 ILE 70 -10.135 9.134 4.182 560 3HG2 ILE 70 3HG2 ILE 70 -11.306 7.826 4.379 561 1HD1 ILE 70 1HD1 ILE 70 -10.515 11.039 6.268 562 2HD1 ILE 70 2HD1 ILE 70 -10.622 10.424 7.936 563 3HD1 ILE 70 3HD1 ILE 70 -9.214 11.361 7.419 564 H LYS 71 H LYS 71 -13.650 7.491 7.442 565 HA LYS 71 HA LYS 71 -13.906 4.686 6.999 566 1HB LYS 71 1HB LYS 71 -15.457 6.523 8.238 567 2HB LYS 71 2HB LYS 71 -16.224 6.591 6.664 568 1HG LYS 71 1HG LYS 71 -17.474 4.874 7.417 569 2HG LYS 71 2HG LYS 71 -16.086 3.847 7.050 570 1HD LYS 71 1HD LYS 71 -16.792 5.149 9.728 571 2HD LYS 71 2HD LYS 71 -16.950 3.435 9.313 572 1HE LYS 71 1HE LYS 71 -14.482 3.279 9.051 573 2HE LYS 71 2HE LYS 71 -14.316 4.978 9.526 574 1HZ LYS 71 1HZ LYS 71 -15.326 4.427 11.621 575 2HZ LYS 71 2HZ LYS 71 -15.416 2.838 11.199 576 3HZ LYS 71 3HZ LYS 71 -13.951 3.565 11.388 577 H VAL 72 H VAL 72 -14.111 3.584 5.077 578 HA VAL 72 HA VAL 72 -14.737 5.078 2.581 579 HB VAL 72 HB VAL 72 -12.887 3.623 1.524 580 1HG1 VAL 72 1HG1 VAL 72 -12.172 5.963 3.324 581 2HG1 VAL 72 2HG1 VAL 72 -11.113 5.283 2.076 582 3HG1 VAL 72 3HG1 VAL 72 -12.643 6.033 1.612 583 1HG2 VAL 72 1HG2 VAL 72 -12.573 2.325 3.706 584 2HG2 VAL 72 2HG2 VAL 72 -11.106 2.865 2.884 585 3HG2 VAL 72 3HG2 VAL 72 -11.716 3.720 4.328 586 H LYS 73 H LYS 73 -15.125 3.708 0.759 587 HA LYS 73 HA LYS 73 -16.688 1.278 1.482 588 1HB LYS 73 1HB LYS 73 -18.007 3.438 1.195 589 2HB LYS 73 2HB LYS 73 -17.439 3.489 -0.475 590 1HG LYS 73 1HG LYS 73 -19.660 2.629 -0.417 591 2HG LYS 73 2HG LYS 73 -18.601 1.300 -0.898 592 1HD LYS 73 1HD LYS 73 -18.696 0.334 1.347 593 2HD LYS 73 2HD LYS 73 -19.564 1.744 1.977 594 1HE LYS 73 1HE LYS 73 -20.619 -0.175 -0.153 595 2HE LYS 73 2HE LYS 73 -21.004 -0.259 1.575 596 1HZ LYS 73 1HZ LYS 73 -21.959 1.929 1.416 597 2HZ LYS 73 2HZ LYS 73 -21.654 1.983 -0.204 598 3HZ LYS 73 3HZ LYS 73 -22.708 0.870 0.399 599 H ALA 74 H ALA 74 -14.608 2.934 -0.789 600 HA ALA 74 HA ALA 74 -13.163 2.091 -2.288 601 1HB ALA 74 1HB ALA 74 -13.422 -0.252 -1.437 602 2HB ALA 74 2HB ALA 74 -14.724 -0.472 -2.639 603 3HB ALA 74 3HB ALA 74 -13.082 -0.102 -3.162 604 H GLN 75 H GLN 75 -13.176 1.657 -4.676 605 HA GLN 75 HA GLN 75 -15.709 2.244 -6.061 606 1HB GLN 75 1HB GLN 75 -14.825 4.409 -5.483 607 2HB GLN 75 2HB GLN 75 -13.255 4.051 -6.206 608 1HG GLN 75 1HG GLN 75 -15.887 4.058 -7.760 609 2HG GLN 75 2HG GLN 75 -14.874 5.492 -7.555 610 1HE2 GLN 75 2HE2 GLN 75 -15.510 3.011 -9.703 611 2HE2 GLN 75 1HE2 GLN 75 -13.955 2.957 -10.515 612 H ASP 76 H ASP 76 -12.134 1.956 -6.567 613 HA ASP 76 HA ASP 76 -12.661 -0.517 -8.105 614 1HB ASP 76 1HB ASP 76 -10.952 1.820 -9.058 615 2HB ASP 76 2HB ASP 76 -10.615 0.163 -9.555 616 H VAL 77 H VAL 77 -11.063 -2.038 -7.959 617 HA VAL 77 HA VAL 77 -8.894 -1.593 -5.994 618 HB VAL 77 HB VAL 77 -9.416 -3.753 -4.915 619 1HG1 VAL 77 1HG1 VAL 77 -10.171 -1.581 -3.933 620 2HG1 VAL 77 2HG1 VAL 77 -11.742 -1.796 -4.727 621 3HG1 VAL 77 3HG1 VAL 77 -11.202 -2.942 -3.489 622 1HG2 VAL 77 1HG2 VAL 77 -12.047 -3.649 -6.464 623 2HG2 VAL 77 2HG2 VAL 77 -10.842 -4.957 -6.505 624 3HG2 VAL 77 3HG2 VAL 77 -11.738 -4.645 -5.034 625 H GLN 78 H GLN 78 -7.218 -1.694 -7.476 626 HA GLN 78 HA GLN 78 -7.300 -3.747 -9.565 627 1HB GLN 78 1HB GLN 78 -6.506 -1.405 -9.982 628 2HB GLN 78 2HB GLN 78 -5.092 -1.750 -8.985 629 1HG GLN 78 1HG GLN 78 -4.466 -2.059 -11.262 630 2HG GLN 78 2HG GLN 78 -4.536 -3.668 -10.535 631 1HE2 GLN 78 2HE2 GLN 78 -6.119 -5.173 -11.284 632 2HE2 GLN 78 1HE2 GLN 78 -7.116 -4.839 -12.684 633 H ARG 79 H ARG 79 -7.506 -5.329 -7.790 634 HA ARG 79 HA ARG 79 -4.922 -6.227 -6.616 635 1HB ARG 79 1HB ARG 79 -6.204 -7.415 -5.027 636 2HB ARG 79 2HB ARG 79 -6.899 -5.795 -5.113 637 1HG ARG 79 1HG ARG 79 -8.725 -6.647 -6.588 638 2HG ARG 79 2HG ARG 79 -8.070 -8.287 -6.454 639 1HD ARG 79 1HD ARG 79 -9.124 -6.560 -4.200 640 2HD ARG 79 2HD ARG 79 -9.915 -7.983 -4.865 641 HE ARG 79 HE ARG 79 -7.655 -7.846 -3.002 642 1HH1 ARG 79 1HH2 ARG 79 -9.361 -9.978 -5.278 643 2HH1 ARG 79 2HH2 ARG 79 -8.813 -11.440 -4.488 644 1HH2 ARG 79 1HH1 ARG 79 -6.857 -9.788 -2.069 645 2HH2 ARG 79 2HH1 ARG 79 -7.401 -11.329 -2.682 646 H HIS 80 H HIS 80 -5.291 -8.858 -6.294 647 HA HIS 80 HA HIS 80 -6.423 -10.080 -8.664 648 1HB HIS 80 1HB HIS 80 -4.101 -9.425 -9.359 649 2HB HIS 80 2HB HIS 80 -3.459 -10.463 -8.084 650 HD1 HIS 80 HD1 HIS 80 -4.231 -13.176 -8.414 651 HD2 HIS 80 HD2 HIS 80 -4.733 -10.518 -11.635 652 HE1 HIS 80 HE1 HIS 80 -4.647 -14.605 -10.507 653 HA PRO 81 HA PRO 81 -7.131 -12.736 -5.150 654 1HB PRO 81 1HB PRO 81 -8.591 -14.762 -6.281 655 2HB PRO 81 2HB PRO 81 -9.212 -13.108 -6.026 656 1HG PRO 81 1HG PRO 81 -8.096 -14.281 -8.580 657 2HG PRO 81 2HG PRO 81 -9.571 -13.308 -8.359 658 1HD PRO 81 1HD PRO 81 -7.209 -12.215 -9.201 659 2HD PRO 81 2HD PRO 81 -8.348 -11.315 -8.154 660 H TYR 82 H TYR 82 -6.218 -14.701 -8.073 661 HA TYR 82 HA TYR 82 -5.472 -16.886 -6.457 662 1HB TYR 82 1HB TYR 82 -4.543 -16.512 -9.307 663 2HB TYR 82 2HB TYR 82 -4.860 -18.005 -8.443 664 HD1 TYR 82 HD1 TYR 82 -6.024 -16.456 -11.138 665 HD2 TYR 82 HD2 TYR 82 -7.537 -17.620 -7.265 666 HE1 TYR 82 HE1 TYR 82 -8.331 -16.365 -12.008 667 HE2 TYR 82 HE2 TYR 82 -9.845 -17.525 -8.146 668 HH TYR 82 HH TYR 82 -10.568 -16.648 -11.542 669 H LYS 83 H LYS 83 -3.227 -14.970 -8.546 670 HA LYS 83 HA LYS 83 -1.036 -15.457 -6.630 671 1HB LYS 83 1HB LYS 83 0.335 -14.133 -8.153 672 2HB LYS 83 2HB LYS 83 -0.389 -15.548 -8.929 673 1HG LYS 83 1HG LYS 83 -1.941 -14.203 -10.163 674 2HG LYS 83 2HG LYS 83 -1.612 -12.766 -9.177 675 1HD LYS 83 1HD LYS 83 -0.575 -12.500 -11.306 676 2HD LYS 83 2HD LYS 83 0.660 -12.613 -10.042 677 1HE LYS 83 1HE LYS 83 1.105 -14.967 -10.668 678 2HE LYS 83 2HE LYS 83 -0.201 -14.907 -11.870 679 1HZ LYS 83 1HZ LYS 83 2.240 -13.274 -11.904 680 2HZ LYS 83 2HZ LYS 83 1.944 -14.587 -12.852 681 3HZ LYS 83 3HZ LYS 83 1.035 -13.224 -13.027 682 HA PRO 84 HA PRO 84 -2.003 -11.426 -4.785 683 1HB PRO 84 1HB PRO 84 0.207 -10.993 -3.260 684 2HB PRO 84 2HB PRO 84 -0.932 -12.319 -2.882 685 1HG PRO 84 1HG PRO 84 1.663 -12.510 -4.437 686 2HG PRO 84 2HG PRO 84 1.132 -13.529 -3.067 687 1HD PRO 84 1HD PRO 84 0.795 -14.273 -5.689 688 2HD PRO 84 2HD PRO 84 -0.390 -14.712 -4.423 689 H LYS 85 H LYS 85 -1.421 -9.211 -5.188 690 HA LYS 85 HA LYS 85 1.054 -8.573 -6.504 691 1HB LYS 85 1HB LYS 85 -0.261 -9.487 -8.439 692 2HB LYS 85 2HB LYS 85 -1.499 -8.269 -8.145 693 1HG LYS 85 1HG LYS 85 -0.079 -7.577 -9.952 694 2HG LYS 85 2HG LYS 85 0.185 -6.471 -8.606 695 1HD LYS 85 1HD LYS 85 2.037 -8.828 -8.709 696 2HD LYS 85 2HD LYS 85 2.141 -7.732 -10.090 697 1HE LYS 85 1HE LYS 85 2.535 -5.806 -8.626 698 2HE LYS 85 2HE LYS 85 2.436 -6.838 -7.189 699 1HZ LYS 85 1HZ LYS 85 4.406 -7.167 -9.326 700 2HZ LYS 85 2HZ LYS 85 4.679 -6.400 -7.898 701 3HZ LYS 85 3HZ LYS 85 4.329 -8.015 -7.913 702 H LEU 86 H LEU 86 -2.295 -7.206 -6.371 703 HA LEU 86 HA LEU 86 -3.034 -5.132 -5.833 704 1HB LEU 86 1HB LEU 86 -0.896 -5.381 -3.674 705 2HB LEU 86 2HB LEU 86 -2.114 -4.111 -3.745 706 HG LEU 86 HG LEU 86 -2.865 -7.053 -3.613 707 1HD1 LEU 86 1HD1 LEU 86 -2.519 -5.014 -1.367 708 2HD1 LEU 86 2HD1 LEU 86 -3.276 -6.598 -1.198 709 3HD1 LEU 86 3HD1 LEU 86 -1.551 -6.485 -1.610 710 1HD2 LEU 86 1HD2 LEU 86 -4.638 -5.431 -4.401 711 2HD2 LEU 86 2HD2 LEU 86 -5.016 -6.168 -2.842 712 3HD2 LEU 86 3HD2 LEU 86 -4.396 -4.502 -2.915 713 H GLN 87 H GLN 87 -2.368 -4.324 -7.889 714 HA GLN 87 HA GLN 87 0.161 -2.913 -8.156 715 1HB GLN 87 1HB GLN 87 -2.380 -2.750 -9.826 716 2HB GLN 87 2HB GLN 87 -0.799 -2.063 -10.239 717 1HG GLN 87 1HG GLN 87 0.169 -4.408 -10.055 718 2HG GLN 87 2HG GLN 87 -1.492 -5.019 -9.948 719 1HE2 GLN 87 2HE2 GLN 87 -2.974 -3.905 -11.804 720 2HE2 GLN 87 1HE2 GLN 87 -2.266 -4.005 -13.401 721 H HIS 88 H HIS 88 -3.261 -1.984 -7.543 722 HA HIS 88 HA HIS 88 -2.475 0.396 -6.083 723 1HB HIS 88 1HB HIS 88 -2.268 1.060 -8.530 724 2HB HIS 88 2HB HIS 88 -3.981 0.679 -8.723 725 HD1 HIS 88 HD1 HIS 88 -5.666 2.595 -7.938 726 HD2 HIS 88 HD2 HIS 88 -1.612 3.190 -6.943 727 HE1 HIS 88 HE1 HIS 88 -5.457 4.986 -7.104 728 H ILE 89 H ILE 89 -4.425 1.481 -5.187 729 HA ILE 89 HA ILE 89 -6.994 0.072 -5.519 730 HB ILE 89 HB ILE 89 -5.768 0.715 -2.805 731 1HG1 ILE 89 1HG1 ILE 89 -4.927 -1.440 -3.752 732 2HG1 ILE 89 2HG1 ILE 89 -5.835 -1.593 -2.257 733 1HG2 ILE 89 1HG2 ILE 89 -8.548 -0.136 -3.642 734 2HG2 ILE 89 2HG2 ILE 89 -7.945 -0.377 -1.992 735 3HG2 ILE 89 3HG2 ILE 89 -8.078 1.258 -2.666 736 1HD1 ILE 89 1HD1 ILE 89 -6.959 -2.183 -5.024 737 2HD1 ILE 89 2HD1 ILE 89 -6.370 -3.376 -3.874 738 3HD1 ILE 89 3HD1 ILE 89 -7.800 -2.417 -3.473 739 H ASP 90 H ASP 90 -8.692 1.434 -5.571 740 HA ASP 90 HA ASP 90 -8.157 4.367 -5.352 741 1HB ASP 90 1HB ASP 90 -9.921 2.803 -7.274 742 2HB ASP 90 2HB ASP 90 -9.776 4.557 -7.207 743 H PHE 91 H PHE 91 -8.916 4.571 -3.224 744 HA PHE 91 HA PHE 91 -11.470 3.388 -2.448 745 1HB PHE 91 1HB PHE 91 -9.578 5.223 -0.960 746 2HB PHE 91 2HB PHE 91 -11.019 4.488 -0.279 747 HD1 PHE 91 HD1 PHE 91 -7.499 4.066 -0.831 748 HD2 PHE 91 HD2 PHE 91 -11.194 1.913 -0.239 749 HE1 PHE 91 HE1 PHE 91 -6.235 2.134 0.041 750 HE2 PHE 91 HE2 PHE 91 -9.915 -0.024 0.638 751 HZ PHE 91 HZ PHE 91 -7.443 0.077 0.785 752 H VAL 92 H VAL 92 -13.283 4.568 -1.683 753 HA VAL 92 HA VAL 92 -13.390 7.494 -2.112 754 HB VAL 92 HB VAL 92 -15.347 5.433 -3.192 755 1HG1 VAL 92 1HG1 VAL 92 -15.889 8.381 -2.631 756 2HG1 VAL 92 2HG1 VAL 92 -16.886 7.352 -3.679 757 3HG1 VAL 92 3HG1 VAL 92 -16.764 6.982 -1.961 758 1HG2 VAL 92 1HG2 VAL 92 -13.540 6.296 -4.714 759 2HG2 VAL 92 2HG2 VAL 92 -15.156 6.797 -5.241 760 3HG2 VAL 92 3HG2 VAL 92 -14.108 7.950 -4.400 761 H ARG 93 H ARG 93 -14.474 8.531 -0.452 762 HA ARG 93 HA ARG 93 -14.615 7.129 2.010 763 1HB ARG 93 1HB ARG 93 -15.430 9.930 1.223 764 2HB ARG 93 2HB ARG 93 -15.789 9.256 2.811 765 1HG ARG 93 1HG ARG 93 -13.802 10.304 3.251 766 2HG ARG 93 2HG ARG 93 -13.307 8.632 3.020 767 1HD ARG 93 1HD ARG 93 -11.728 10.041 1.885 768 2HD ARG 93 2HD ARG 93 -12.666 9.223 0.644 769 HE ARG 93 HE ARG 93 -13.645 11.228 0.015 770 1HH1 ARG 93 1HH2 ARG 93 -11.741 11.761 2.994 771 2HH1 ARG 93 2HH2 ARG 93 -11.990 13.493 2.951 772 1HH2 ARG 93 1HH1 ARG 93 -13.991 13.519 0.075 773 2HH2 ARG 93 2HH1 ARG 93 -13.243 14.456 1.356 774 H ALA 94 H ALA 94 -16.304 6.480 3.293 775 HA ALA 94 HA ALA 94 -18.767 5.669 1.954 776 1HB ALA 94 1HB ALA 94 -17.669 4.229 3.630 777 2HB ALA 94 2HB ALA 94 -17.883 5.488 4.865 778 3HB ALA 94 3HB ALA 94 -19.301 4.688 4.153 Start of MODEL 10 1 H MET 1 H MET 1 -14.853 -2.122 7.666 2 HA MET 1 HA MET 1 -14.255 -2.170 10.548 3 1HB MET 1 1HB MET 1 -15.168 -4.214 8.493 4 2HB MET 1 2HB MET 1 -14.522 -4.713 10.057 5 1HG MET 1 1HG MET 1 -16.893 -4.704 10.115 6 2HG MET 1 2HG MET 1 -16.269 -3.529 11.265 7 1HE MET 1 1HE MET 1 -17.287 -1.187 11.492 8 2HE MET 1 2HE MET 1 -16.117 -0.715 10.243 9 3HE MET 1 3HE MET 1 -17.810 -0.215 10.101 10 H PHE 2 H PHE 2 -12.944 -3.616 7.517 11 HA PHE 2 HA PHE 2 -10.588 -4.707 8.609 12 1HB PHE 2 1HB PHE 2 -11.085 -3.525 5.846 13 2HB PHE 2 2HB PHE 2 -9.708 -4.525 6.284 14 HD1 PHE 2 HD1 PHE 2 -10.425 -6.836 7.551 15 HD2 PHE 2 HD2 PHE 2 -12.809 -4.661 4.679 16 HE1 PHE 2 HE1 PHE 2 -11.620 -8.922 6.954 17 HE2 PHE 2 HE2 PHE 2 -13.950 -6.769 4.048 18 HZ PHE 2 HZ PHE 2 -13.367 -8.896 5.193 19 H THR 3 H THR 3 -9.003 -3.699 9.679 20 HA THR 3 HA THR 3 -8.731 -0.774 9.507 21 HB THR 3 HB THR 3 -7.565 -2.818 11.429 22 HG1 THR 3 HG1 THR 3 -9.912 -2.473 11.371 23 1HG2 THR 3 1HG2 THR 3 -7.718 0.231 11.570 24 2HG2 THR 3 2HG2 THR 3 -7.164 -0.839 12.870 25 3HG2 THR 3 3HG2 THR 3 -6.222 -0.712 11.377 26 H ILE 4 H ILE 4 -7.694 -0.491 7.534 27 HA ILE 4 HA ILE 4 -5.174 -1.804 6.866 28 HB ILE 4 HB ILE 4 -6.831 0.417 5.628 29 1HG1 ILE 4 1HG1 ILE 4 -6.877 -1.140 3.698 30 2HG1 ILE 4 2HG1 ILE 4 -5.969 -2.336 4.628 31 1HG2 ILE 4 1HG2 ILE 4 -4.124 -0.588 4.665 32 2HG2 ILE 4 2HG2 ILE 4 -5.237 0.477 3.775 33 3HG2 ILE 4 3HG2 ILE 4 -4.477 1.053 5.248 34 1HD1 ILE 4 1HD1 ILE 4 -8.725 -1.263 5.368 35 2HD1 ILE 4 2HD1 ILE 4 -8.407 -2.771 4.490 36 3HD1 ILE 4 3HD1 ILE 4 -7.864 -2.623 6.154 37 H ASN 5 H ASN 5 -3.374 -1.323 7.954 38 HA ASN 5 HA ASN 5 -2.884 1.218 9.288 39 1HB ASN 5 1HB ASN 5 -1.008 -1.054 8.494 40 2HB ASN 5 2HB ASN 5 -0.591 0.306 9.547 41 1HD2 ASN 5 2HD2 ASN 5 -2.129 0.606 11.509 42 2HD2 ASN 5 1HD2 ASN 5 -2.610 -0.862 12.332 43 H ALA 6 H ALA 6 -2.092 3.062 8.312 44 HA ALA 6 HA ALA 6 -0.569 2.882 5.820 45 1HB ALA 6 1HB ALA 6 -2.921 2.853 5.028 46 2HB ALA 6 2HB ALA 6 -3.245 4.333 5.962 47 3HB ALA 6 3HB ALA 6 -2.121 4.369 4.589 48 H GLU 7 H GLU 7 -0.038 5.135 5.036 49 HA GLU 7 HA GLU 7 0.109 7.239 7.070 50 1HB GLU 7 1HB GLU 7 2.054 5.662 7.491 51 2HB GLU 7 2HB GLU 7 2.616 5.990 5.844 52 1HG GLU 7 1HG GLU 7 2.835 8.422 6.461 53 2HG GLU 7 2HG GLU 7 2.313 8.018 8.103 54 H VAL 8 H VAL 8 0.605 9.277 6.041 55 HA VAL 8 HA VAL 8 -0.017 9.684 3.311 56 HB VAL 8 HB VAL 8 1.203 11.848 3.565 57 1HG1 VAL 8 1HG1 VAL 8 -1.176 11.634 4.138 58 2HG1 VAL 8 2HG1 VAL 8 -0.752 11.189 5.801 59 3HG1 VAL 8 3HG1 VAL 8 -0.358 12.804 5.189 60 1HG2 VAL 8 1HG2 VAL 8 2.973 11.142 5.163 61 2HG2 VAL 8 2HG2 VAL 8 2.057 12.539 5.742 62 3HG2 VAL 8 3HG2 VAL 8 1.745 10.939 6.431 63 H ARG 9 H ARG 9 1.257 9.959 1.441 64 HA ARG 9 HA ARG 9 3.286 7.974 1.288 65 1HB ARG 9 1HB ARG 9 1.658 8.399 -0.481 66 2HB ARG 9 2HB ARG 9 2.405 9.968 -0.825 67 1HG ARG 9 1HG ARG 9 4.524 8.817 -1.464 68 2HG ARG 9 2HG ARG 9 3.846 7.270 -0.960 69 1HD ARG 9 1HD ARG 9 3.729 7.385 -3.337 70 2HD ARG 9 2HD ARG 9 2.079 7.487 -2.696 71 HE ARG 9 HE ARG 9 3.179 10.116 -3.020 72 1HH1 ARG 9 1HH2 ARG 9 1.943 7.420 -4.964 73 2HH1 ARG 9 2HH2 ARG 9 1.519 8.425 -6.326 74 1HH2 ARG 9 1HH1 ARG 9 2.633 11.427 -4.810 75 2HH2 ARG 9 2HH1 ARG 9 1.913 10.724 -6.235 76 H LYS 10 H LYS 10 4.881 8.661 2.736 77 HA LYS 10 HA LYS 10 6.965 10.303 1.406 78 1HB LYS 10 1HB LYS 10 6.001 10.394 4.273 79 2HB LYS 10 2HB LYS 10 7.711 10.670 3.951 80 1HG LYS 10 1HG LYS 10 5.730 12.248 2.313 81 2HG LYS 10 2HG LYS 10 5.931 12.655 4.016 82 1HD LYS 10 1HD LYS 10 7.391 14.028 2.632 83 2HD LYS 10 2HD LYS 10 8.312 13.024 3.760 84 1HE LYS 10 1HE LYS 10 8.892 11.462 1.931 85 2HE LYS 10 2HE LYS 10 7.901 12.410 0.796 86 1HZ LYS 10 1HZ LYS 10 10.270 13.372 2.238 87 2HZ LYS 10 2HZ LYS 10 10.234 12.914 0.656 88 3HZ LYS 10 3HZ LYS 10 9.383 14.239 1.150 89 H GLU 11 H GLU 11 8.531 8.984 0.851 90 HA GLU 11 HA GLU 11 9.575 6.949 2.645 91 1HB GLU 11 1HB GLU 11 7.768 6.290 0.398 92 2HB GLU 11 2HB GLU 11 9.351 5.553 0.168 93 1HG GLU 11 1HG GLU 11 7.817 5.300 2.785 94 2HG GLU 11 2HG GLU 11 7.595 4.205 1.423 95 H GLN 12 H GLN 12 11.640 6.249 1.966 96 HA GLN 12 HA GLN 12 13.740 6.579 1.315 97 1HB GLN 12 1HB GLN 12 12.988 5.767 -0.768 98 2HB GLN 12 2HB GLN 12 12.407 7.338 -1.309 99 1HG GLN 12 1HG GLN 12 15.333 7.003 -0.570 100 2HG GLN 12 2HG GLN 12 14.742 6.365 -2.106 101 1HE2 GLN 12 2HE2 GLN 12 13.325 7.921 -3.431 102 2HE2 GLN 12 1HE2 GLN 12 13.895 9.574 -3.539 103 H GLY 13 H GLY 13 12.241 9.474 -0.253 104 1HA GLY 13 1HA GLY 13 12.928 11.421 1.540 105 2HA GLY 13 2HA GLY 13 14.426 11.195 0.619 106 H LYS 14 H LYS 14 14.518 11.825 -1.551 107 HA LYS 14 HA LYS 14 12.561 13.858 -2.336 108 1HB LYS 14 1HB LYS 14 15.165 12.909 -3.588 109 2HB LYS 14 2HB LYS 14 14.147 14.208 -4.221 110 1HG LYS 14 1HG LYS 14 14.412 15.434 -2.019 111 2HG LYS 14 2HG LYS 14 15.463 14.123 -1.477 112 1HD LYS 14 1HD LYS 14 17.031 15.625 -2.136 113 2HD LYS 14 2HD LYS 14 16.893 14.679 -3.616 114 1HE LYS 14 1HE LYS 14 15.534 17.367 -3.030 115 2HE LYS 14 2HE LYS 14 17.005 17.140 -3.986 116 1HZ LYS 14 1HZ LYS 14 15.713 15.824 -5.527 117 2HZ LYS 14 2HZ LYS 14 14.338 16.145 -4.671 118 3HZ LYS 14 3HZ LYS 14 15.157 17.371 -5.401 119 H GLY 15 H GLY 15 10.995 13.624 -3.858 120 1HA GLY 15 1HA GLY 15 9.873 12.793 -5.694 121 2HA GLY 15 2HA GLY 15 11.091 11.530 -5.912 122 H ALA 16 H ALA 16 11.159 10.060 -3.776 123 HA ALA 16 HA ALA 16 10.266 8.484 -2.509 124 1HB ALA 16 1HB ALA 16 8.939 10.299 -1.431 125 2HB ALA 16 2HB ALA 16 7.592 9.952 -2.540 126 3HB ALA 16 3HB ALA 16 8.137 8.718 -1.400 127 H SER 17 H SER 17 8.860 6.605 -2.495 128 HA SER 17 HA SER 17 8.277 4.730 -3.535 129 1HB SER 17 1HB SER 17 6.139 5.992 -3.738 130 2HB SER 17 2HB SER 17 6.600 6.472 -5.386 131 HG SER 17 HG SER 17 5.285 4.563 -5.259 132 H ARG 18 H ARG 18 10.716 5.400 -4.149 133 HA ARG 18 HA ARG 18 11.119 4.832 -7.067 134 1HB ARG 18 1HB ARG 18 12.813 6.275 -4.992 135 2HB ARG 18 2HB ARG 18 13.418 5.841 -6.591 136 1HG ARG 18 1HG ARG 18 10.928 7.561 -6.254 137 2HG ARG 18 2HG ARG 18 12.552 8.248 -6.225 138 1HD ARG 18 1HD ARG 18 11.460 6.581 -8.530 139 2HD ARG 18 2HD ARG 18 11.458 8.353 -8.461 140 HE ARG 18 HE ARG 18 14.089 7.592 -7.942 141 1HH1 ARG 18 1HH2 ARG 18 11.812 7.291 -10.651 142 2HH1 ARG 18 2HH2 ARG 18 13.065 7.299 -11.864 143 1HH2 ARG 18 1HH1 ARG 18 15.717 7.610 -9.540 144 2HH2 ARG 18 2HH1 ARG 18 15.298 7.484 -11.229 145 H ARG 19 H ARG 19 10.482 2.913 -4.826 146 HA ARG 19 HA ARG 19 12.706 1.053 -5.152 147 1HB ARG 19 1HB ARG 19 13.453 2.671 -3.334 148 2HB ARG 19 2HB ARG 19 12.036 2.213 -2.402 149 1HG ARG 19 1HG ARG 19 13.787 0.957 -1.504 150 2HG ARG 19 2HG ARG 19 12.925 -0.216 -2.509 151 1HD ARG 19 1HD ARG 19 14.630 0.079 -4.296 152 2HD ARG 19 2HD ARG 19 15.398 1.365 -3.338 153 HE ARG 19 HE ARG 19 15.162 -1.188 -1.947 154 1HH1 ARG 19 1HH2 ARG 19 17.221 0.702 -4.147 155 2HH1 ARG 19 2HH2 ARG 19 18.682 -0.127 -3.682 156 1HH2 ARG 19 1HH1 ARG 19 17.087 -2.269 -1.365 157 2HH2 ARG 19 2HH1 ARG 19 18.604 -1.829 -2.105 158 H LEU 20 H LEU 20 10.033 1.774 -2.869 159 HA LEU 20 HA LEU 20 9.240 -0.823 -2.358 160 1HB LEU 20 1HB LEU 20 7.193 0.175 -1.479 161 2HB LEU 20 2HB LEU 20 8.644 1.046 -0.993 162 HG LEU 20 HG LEU 20 7.916 2.514 -3.198 163 1HD1 LEU 20 1HD1 LEU 20 5.326 1.465 -1.972 164 2HD1 LEU 20 2HD1 LEU 20 5.450 2.845 -3.076 165 3HD1 LEU 20 3HD1 LEU 20 5.851 1.218 -3.641 166 1HD2 LEU 20 1HD2 LEU 20 6.844 2.783 -0.363 167 2HD2 LEU 20 2HD2 LEU 20 8.399 3.401 -0.964 168 3HD2 LEU 20 3HD2 LEU 20 6.882 4.086 -1.571 169 H ARG 21 H ARG 21 8.308 1.232 -5.045 170 HA ARG 21 HA ARG 21 6.085 0.118 -6.135 171 1HB ARG 21 1HB ARG 21 6.986 0.844 -8.316 172 2HB ARG 21 2HB ARG 21 7.198 2.056 -7.046 173 1HG ARG 21 1HG ARG 21 9.573 1.403 -6.780 174 2HG ARG 21 2HG ARG 21 9.377 0.144 -8.014 175 1HD ARG 21 1HD ARG 21 8.804 1.846 -9.675 176 2HD ARG 21 2HD ARG 21 9.018 3.126 -8.468 177 HE ARG 21 HE ARG 21 11.382 2.157 -8.190 178 1HH1 ARG 21 1HH2 ARG 21 9.730 2.296 -11.356 179 2HH1 ARG 21 2HH2 ARG 21 11.225 2.247 -12.248 180 1HH2 ARG 21 1HH1 ARG 21 13.295 2.112 -9.392 181 2HH2 ARG 21 2HH1 ARG 21 13.250 2.157 -11.136 182 H ALA 22 H ALA 22 9.264 -1.440 -6.033 183 HA ALA 22 HA ALA 22 8.936 -3.391 -8.033 184 1HB ALA 22 1HB ALA 22 11.064 -2.913 -6.918 185 2HB ALA 22 2HB ALA 22 10.428 -3.539 -5.382 186 3HB ALA 22 3HB ALA 22 10.651 -4.632 -6.767 187 H ALA 23 H ALA 23 8.118 -3.597 -4.505 188 HA ALA 23 HA ALA 23 5.904 -5.366 -4.911 189 1HB ALA 23 1HB ALA 23 8.509 -6.666 -3.984 190 2HB ALA 23 2HB ALA 23 6.902 -7.411 -3.873 191 3HB ALA 23 3HB ALA 23 7.603 -7.062 -5.456 192 H ASN 24 H ASN 24 8.579 -4.739 -2.594 193 HA ASN 24 HA ASN 24 7.003 -5.269 -0.275 194 1HB ASN 24 1HB ASN 24 9.663 -3.821 -0.608 195 2HB ASN 24 2HB ASN 24 8.968 -4.344 0.936 196 1HD2 ASN 24 2HD2 ASN 24 11.417 -5.262 0.514 197 2HD2 ASN 24 1HD2 ASN 24 11.412 -6.943 0.028 198 H LYS 25 H LYS 25 5.261 -4.037 0.097 199 HA LYS 25 HA LYS 25 3.910 -2.325 0.600 200 1HB LYS 25 1HB LYS 25 6.230 -0.362 0.401 201 2HB LYS 25 2HB LYS 25 4.610 -0.055 1.007 202 1HG LYS 25 1HG LYS 25 4.964 -1.383 2.958 203 2HG LYS 25 2HG LYS 25 6.447 -2.103 2.307 204 1HD LYS 25 1HD LYS 25 6.950 -0.400 3.988 205 2HD LYS 25 2HD LYS 25 7.609 0.035 2.401 206 1HE LYS 25 1HE LYS 25 5.770 1.632 2.032 207 2HE LYS 25 2HE LYS 25 4.998 1.128 3.549 208 1HZ LYS 25 1HZ LYS 25 7.638 2.399 3.295 209 2HZ LYS 25 2HZ LYS 25 6.251 3.151 3.763 210 3HZ LYS 25 3HZ LYS 25 6.907 1.970 4.707 211 H PHE 26 H PHE 26 2.789 -0.507 -0.539 212 HA PHE 26 HA PHE 26 3.644 0.031 -3.261 213 1HB PHE 26 1HB PHE 26 1.941 -1.083 -4.426 214 2HB PHE 26 2HB PHE 26 2.514 -2.288 -3.296 215 HD1 PHE 26 HD1 PHE 26 1.174 -2.411 -0.972 216 HD2 PHE 26 HD2 PHE 26 -0.348 -0.636 -4.603 217 HE1 PHE 26 HE1 PHE 26 -1.075 -2.246 0.043 218 HE2 PHE 26 HE2 PHE 26 -2.599 -0.499 -3.586 219 HZ PHE 26 HZ PHE 26 -2.970 -1.281 -1.263 220 HA PRO 27 HA PRO 27 1.195 3.586 -2.199 221 1HB PRO 27 1HB PRO 27 0.931 4.884 -4.563 222 2HB PRO 27 2HB PRO 27 2.537 4.612 -3.820 223 1HG PRO 27 1HG PRO 27 1.198 2.944 -5.974 224 2HG PRO 27 2HG PRO 27 2.850 3.625 -5.992 225 1HD PRO 27 1HD PRO 27 2.328 1.054 -5.204 226 2HD PRO 27 2HD PRO 27 3.622 2.030 -4.454 227 H ALA 28 H ALA 28 -0.952 4.321 -2.155 228 HA ALA 28 HA ALA 28 -2.920 3.304 -4.105 229 1HB ALA 28 1HB ALA 28 -3.027 1.696 -2.197 230 2HB ALA 28 2HB ALA 28 -3.303 3.076 -1.108 231 3HB ALA 28 3HB ALA 28 -4.501 2.679 -2.345 232 H ILE 29 H ILE 29 -5.010 4.580 -3.838 233 HA ILE 29 HA ILE 29 -4.460 7.344 -2.855 234 HB ILE 29 HB ILE 29 -5.507 6.504 -5.569 235 1HG1 ILE 29 1HG1 ILE 29 -3.066 8.171 -4.782 236 2HG1 ILE 29 2HG1 ILE 29 -3.001 6.476 -5.262 237 1HG2 ILE 29 1HG2 ILE 29 -6.782 8.471 -4.700 238 2HG2 ILE 29 2HG2 ILE 29 -5.246 9.324 -4.454 239 3HG2 ILE 29 3HG2 ILE 29 -5.788 8.874 -6.084 240 1HD1 ILE 29 1HD1 ILE 29 -4.015 7.106 -7.479 241 2HD1 ILE 29 2HD1 ILE 29 -3.778 8.813 -7.027 242 3HD1 ILE 29 3HD1 ILE 29 -2.386 7.734 -7.164 243 H ILE 30 H ILE 30 -6.104 8.369 -1.912 244 HA ILE 30 HA ILE 30 -8.726 6.984 -1.657 245 HB ILE 30 HB ILE 30 -7.574 9.245 0.012 246 1HG1 ILE 30 1HG1 ILE 30 -7.838 6.277 0.683 247 2HG1 ILE 30 2HG1 ILE 30 -6.322 7.143 0.394 248 1HG2 ILE 30 1HG2 ILE 30 -10.048 9.232 -0.133 249 2HG2 ILE 30 2HG2 ILE 30 -10.076 7.525 0.352 250 3HG2 ILE 30 3HG2 ILE 30 -9.532 8.785 1.478 251 1HD1 ILE 30 1HD1 ILE 30 -6.851 8.651 2.335 252 2HD1 ILE 30 2HD1 ILE 30 -8.227 7.588 2.725 253 3HD1 ILE 30 3HD1 ILE 30 -6.590 6.953 2.766 254 H TYR 31 H TYR 31 -10.440 7.823 -2.599 255 HA TYR 31 HA TYR 31 -10.413 10.572 -3.770 256 1HB TYR 31 1HB TYR 31 -11.884 8.048 -4.642 257 2HB TYR 31 2HB TYR 31 -12.085 9.639 -5.355 258 HD1 TYR 31 HD1 TYR 31 -9.477 6.962 -4.780 259 HD2 TYR 31 HD2 TYR 31 -10.756 10.308 -7.193 260 HE1 TYR 31 HE1 TYR 31 -7.825 6.361 -6.485 261 HE2 TYR 31 HE2 TYR 31 -9.106 9.664 -8.925 262 HH TYR 31 HH TYR 31 -7.312 6.598 -8.740 263 H GLY 32 H GLY 32 -12.825 11.331 -3.993 264 1HA GLY 32 1HA GLY 32 -14.799 10.327 -2.210 265 2HA GLY 32 2HA GLY 32 -13.926 11.642 -1.403 266 H GLY 33 H GLY 33 -13.659 13.687 -2.740 267 1HA GLY 33 1HA GLY 33 -14.981 14.790 -4.748 268 2HA GLY 33 2HA GLY 33 -16.363 14.445 -3.687 269 H LYS 34 H LYS 34 -14.944 14.818 -1.195 270 HA LYS 34 HA LYS 34 -15.413 17.471 -0.576 271 1HB LYS 34 1HB LYS 34 -15.061 15.512 1.012 272 2HB LYS 34 2HB LYS 34 -13.341 15.608 0.655 273 1HG LYS 34 1HG LYS 34 -13.294 16.833 2.540 274 2HG LYS 34 2HG LYS 34 -13.701 18.174 1.476 275 1HD LYS 34 1HD LYS 34 -15.619 16.512 3.177 276 2HD LYS 34 2HD LYS 34 -15.064 18.160 3.506 277 1HE LYS 34 1HE LYS 34 -16.170 18.912 1.369 278 2HE LYS 34 2HE LYS 34 -16.840 17.272 1.191 279 1HZ LYS 34 1HZ LYS 34 -17.943 17.556 3.277 280 2HZ LYS 34 2HZ LYS 34 -17.335 19.081 3.442 281 3HZ LYS 34 3HZ LYS 34 -18.383 18.738 2.217 282 H GLU 35 H GLU 35 -12.333 15.956 -1.581 283 HA GLU 35 HA GLU 35 -11.276 18.535 -2.500 284 1HB GLU 35 1HB GLU 35 -10.643 18.160 -0.043 285 2HB GLU 35 2HB GLU 35 -9.708 16.756 -0.573 286 1HG GLU 35 1HG GLU 35 -8.265 18.240 -1.937 287 2HG GLU 35 2HG GLU 35 -9.287 19.631 -1.521 288 H ALA 36 H ALA 36 -9.209 18.081 -3.750 289 HA ALA 36 HA ALA 36 -9.446 16.044 -5.663 290 1HB ALA 36 1HB ALA 36 -8.082 18.068 -5.969 291 2HB ALA 36 2HB ALA 36 -6.975 17.545 -4.678 292 3HB ALA 36 3HB ALA 36 -7.070 16.628 -6.194 293 HA PRO 37 HA PRO 37 -8.213 12.471 -3.442 294 1HB PRO 37 1HB PRO 37 -7.045 10.862 -5.355 295 2HB PRO 37 2HB PRO 37 -8.787 11.241 -5.311 296 1HG PRO 37 1HG PRO 37 -6.642 12.634 -6.932 297 2HG PRO 37 2HG PRO 37 -8.200 11.978 -7.522 298 1HD PRO 37 1HD PRO 37 -7.952 14.591 -6.918 299 2HD PRO 37 2HD PRO 37 -9.428 13.707 -6.429 300 H LEU 38 H LEU 38 -6.401 11.280 -2.547 301 HA LEU 38 HA LEU 38 -3.738 12.491 -2.936 302 1HB LEU 38 1HB LEU 38 -3.430 12.935 -0.583 303 2HB LEU 38 2HB LEU 38 -4.677 13.929 -1.312 304 HG LEU 38 HG LEU 38 -5.219 13.376 0.923 305 1HD1 LEU 38 1HD1 LEU 38 -7.069 13.571 -0.780 306 2HD1 LEU 38 2HD1 LEU 38 -7.208 11.796 -0.723 307 3HD1 LEU 38 3HD1 LEU 38 -7.475 12.755 0.736 308 1HD2 LEU 38 1HD2 LEU 38 -4.028 11.171 1.079 309 2HD2 LEU 38 2HD2 LEU 38 -5.621 11.247 1.855 310 3HD2 LEU 38 3HD2 LEU 38 -5.446 10.421 0.307 311 H ALA 39 H ALA 39 -1.995 11.359 -2.027 312 HA ALA 39 HA ALA 39 -2.473 8.473 -2.366 313 1HB ALA 39 1HB ALA 39 -1.013 9.649 -3.957 314 2HB ALA 39 2HB ALA 39 0.066 10.110 -2.621 315 3HB ALA 39 3HB ALA 39 -0.147 8.396 -3.049 316 H ILE 40 H ILE 40 -1.488 6.906 -1.116 317 HA ILE 40 HA ILE 40 -0.171 7.617 1.430 318 HB ILE 40 HB ILE 40 -1.689 5.944 2.566 319 1HG1 ILE 40 1HG1 ILE 40 -3.556 6.380 0.188 320 2HG1 ILE 40 2HG1 ILE 40 -2.546 4.942 0.378 321 1HG2 ILE 40 1HG2 ILE 40 -1.932 8.422 2.816 322 2HG2 ILE 40 2HG2 ILE 40 -3.164 8.401 1.539 323 3HG2 ILE 40 3HG2 ILE 40 -3.434 7.538 3.064 324 1HD1 ILE 40 1HD1 ILE 40 -3.653 4.454 2.552 325 2HD1 ILE 40 2HD1 ILE 40 -4.713 5.851 2.290 326 3HD1 ILE 40 3HD1 ILE 40 -4.778 4.478 1.177 327 H GLU 41 H GLU 41 0.807 5.734 2.440 328 HA GLU 41 HA GLU 41 1.555 3.548 0.539 329 1HB GLU 41 1HB GLU 41 3.010 4.838 2.887 330 2HB GLU 41 2HB GLU 41 3.472 3.257 2.253 331 1HG GLU 41 1HG GLU 41 3.358 5.813 0.631 332 2HG GLU 41 2HG GLU 41 4.837 5.100 1.294 333 H LEU 42 H LEU 42 1.287 1.478 1.158 334 HA LEU 42 HA LEU 42 0.674 0.751 3.900 335 1HB LEU 42 1HB LEU 42 -1.324 -0.668 2.966 336 2HB LEU 42 2HB LEU 42 -1.575 0.957 3.563 337 HG LEU 42 HG LEU 42 -1.109 0.458 0.598 338 1HD1 LEU 42 1HD1 LEU 42 -3.753 0.357 2.092 339 2HD1 LEU 42 2HD1 LEU 42 -3.565 0.366 0.328 340 3HD1 LEU 42 3HD1 LEU 42 -2.959 -1.004 1.271 341 1HD2 LEU 42 1HD2 LEU 42 -1.900 2.765 2.312 342 2HD2 LEU 42 2HD2 LEU 42 -1.245 2.743 0.659 343 3HD2 LEU 42 3HD2 LEU 42 -2.974 2.501 0.954 344 H ASP 43 H ASP 43 0.902 -1.467 4.281 345 HA ASP 43 HA ASP 43 3.051 -2.577 2.744 346 1HB ASP 43 1HB ASP 43 1.510 -3.693 5.114 347 2HB ASP 43 2HB ASP 43 3.041 -4.320 4.483 348 H HIS 44 H HIS 44 3.143 -4.394 1.506 349 HA HIS 44 HA HIS 44 0.623 -5.479 0.413 350 1HB HIS 44 1HB HIS 44 2.461 -4.682 -1.049 351 2HB HIS 44 2HB HIS 44 3.525 -5.919 -0.384 352 HD1 HIS 44 HD1 HIS 44 2.623 -8.541 -0.893 353 HD2 HIS 44 HD2 HIS 44 0.946 -5.361 -3.075 354 HE1 HIS 44 HE1 HIS 44 1.499 -9.574 -2.952 355 H ASP 45 H ASP 45 0.252 -6.377 2.702 356 HA ASP 45 HA ASP 45 0.986 -9.205 2.708 357 1HB ASP 45 1HB ASP 45 2.946 -8.342 3.836 358 2HB ASP 45 2HB ASP 45 1.971 -7.328 4.899 359 H LYS 46 H LYS 46 -0.016 -7.105 5.416 360 HA LYS 46 HA LYS 46 -2.050 -8.782 6.331 361 1HB LYS 46 1HB LYS 46 -1.785 -5.756 6.606 362 2HB LYS 46 2HB LYS 46 -2.871 -6.793 7.551 363 1HG LYS 46 1HG LYS 46 -0.927 -8.024 8.473 364 2HG LYS 46 2HG LYS 46 0.174 -7.036 7.504 365 1HD LYS 46 1HD LYS 46 0.182 -6.172 9.729 366 2HD LYS 46 2HD LYS 46 -0.608 -4.987 8.677 367 1HE LYS 46 1HE LYS 46 -2.830 -5.713 9.501 368 2HE LYS 46 2HE LYS 46 -2.066 -6.996 10.463 369 1HZ LYS 46 1HZ LYS 46 -0.946 -5.266 11.698 370 2HZ LYS 46 2HZ LYS 46 -1.720 -4.102 10.818 371 3HZ LYS 46 3HZ LYS 46 -2.585 -5.113 11.785 372 H VAL 47 H VAL 47 -2.225 -6.018 4.117 373 HA VAL 47 HA VAL 47 -4.961 -5.707 3.838 374 HB VAL 47 HB VAL 47 -4.467 -4.647 1.694 375 1HG1 VAL 47 1HG1 VAL 47 -4.043 -3.458 3.836 376 2HG1 VAL 47 2HG1 VAL 47 -2.350 -3.987 3.793 377 3HG1 VAL 47 3HG1 VAL 47 -2.976 -2.922 2.529 378 1HG2 VAL 47 1HG2 VAL 47 -1.663 -5.806 2.028 379 2HG2 VAL 47 2HG2 VAL 47 -2.798 -6.108 0.704 380 3HG2 VAL 47 3HG2 VAL 47 -2.093 -4.503 0.899 381 H MET 48 H MET 48 -2.848 -8.009 2.064 382 HA MET 48 HA MET 48 -4.612 -8.799 0.086 383 1HB MET 48 1HB MET 48 -2.672 -10.654 1.536 384 2HB MET 48 2HB MET 48 -3.310 -10.843 -0.097 385 1HG MET 48 1HG MET 48 -1.331 -8.773 0.913 386 2HG MET 48 2HG MET 48 -1.062 -10.060 -0.252 387 1HE MET 48 1HE MET 48 -2.160 -10.041 -2.709 388 2HE MET 48 2HE MET 48 -3.796 -9.633 -2.142 389 3HE MET 48 3HE MET 48 -3.019 -8.657 -3.410 390 H ASN 49 H ASN 49 -4.227 -10.273 3.319 391 HA ASN 49 HA ASN 49 -6.240 -12.251 3.072 392 1HB ASN 49 1HB ASN 49 -4.457 -12.266 4.775 393 2HB ASN 49 2HB ASN 49 -5.142 -10.819 5.528 394 1HD2 ASN 49 2HD2 ASN 49 -5.478 -11.870 7.545 395 2HD2 ASN 49 1HD2 ASN 49 -6.722 -13.085 7.756 396 H MET 50 H MET 50 -6.326 -8.915 4.431 397 HA MET 50 HA MET 50 -9.007 -9.008 5.330 398 1HB MET 50 1HB MET 50 -7.212 -6.674 4.565 399 2HB MET 50 2HB MET 50 -8.829 -6.491 5.251 400 1HG MET 50 1HG MET 50 -8.126 -7.935 7.187 401 2HG MET 50 2HG MET 50 -6.472 -7.880 6.573 402 1HE MET 50 1HE MET 50 -5.029 -5.646 6.453 403 2HE MET 50 2HE MET 50 -6.298 -4.734 5.593 404 3HE MET 50 3HE MET 50 -5.576 -4.077 7.076 405 H GLN 51 H GLN 51 -7.717 -8.088 2.079 406 HA GLN 51 HA GLN 51 -10.195 -6.955 1.282 407 1HB GLN 51 1HB GLN 51 -8.054 -8.071 -0.572 408 2HB GLN 51 2HB GLN 51 -9.451 -7.049 -0.970 409 1HG GLN 51 1HG GLN 51 -8.410 -5.435 0.867 410 2HG GLN 51 2HG GLN 51 -6.938 -6.348 0.557 411 1HE2 GLN 51 2HE2 GLN 51 -8.466 -6.326 -2.434 412 2HE2 GLN 51 1HE2 GLN 51 -7.715 -4.877 -3.054 413 H ALA 52 H ALA 52 -8.792 -10.108 0.283 414 HA ALA 52 HA ALA 52 -9.704 -11.863 -0.806 415 1HB ALA 52 1HB ALA 52 -10.552 -12.300 1.455 416 2HB ALA 52 2HB ALA 52 -12.039 -11.399 1.098 417 3HB ALA 52 3HB ALA 52 -11.673 -12.896 0.217 418 H LYS 53 H LYS 53 -9.863 -9.608 -2.282 419 HA LYS 53 HA LYS 53 -10.757 -8.713 -4.116 420 1HB LYS 53 1HB LYS 53 -10.571 -11.100 -4.784 421 2HB LYS 53 2HB LYS 53 -12.254 -11.356 -4.353 422 1HG LYS 53 1HG LYS 53 -12.730 -9.388 -6.059 423 2HG LYS 53 2HG LYS 53 -11.060 -9.666 -6.579 424 1HD LYS 53 1HD LYS 53 -11.649 -12.081 -6.984 425 2HD LYS 53 2HD LYS 53 -13.316 -11.727 -6.487 426 1HE LYS 53 1HE LYS 53 -13.483 -10.043 -8.332 427 2HE LYS 53 2HE LYS 53 -11.853 -10.497 -8.865 428 1HZ LYS 53 1HZ LYS 53 -12.675 -12.719 -9.227 429 2HZ LYS 53 2HZ LYS 53 -14.185 -12.281 -8.736 430 3HZ LYS 53 3HZ LYS 53 -13.543 -11.626 -10.103 431 H ALA 54 H ALA 54 -13.855 -10.326 -4.009 432 HA ALA 54 HA ALA 54 -15.161 -7.832 -4.320 433 1HB ALA 54 1HB ALA 54 -15.857 -9.909 -5.432 434 2HB ALA 54 2HB ALA 54 -16.298 -10.617 -3.862 435 3HB ALA 54 3HB ALA 54 -17.189 -9.211 -4.488 436 H GLU 55 H GLU 55 -14.623 -9.855 -1.473 437 HA GLU 55 HA GLU 55 -16.687 -8.856 0.197 438 1HB GLU 55 1HB GLU 55 -13.938 -10.037 0.707 439 2HB GLU 55 2HB GLU 55 -14.966 -9.467 2.025 440 1HG GLU 55 1HG GLU 55 -15.301 -11.826 1.773 441 2HG GLU 55 2HG GLU 55 -16.782 -10.987 1.314 442 H PHE 56 H PHE 56 -13.727 -7.339 -0.941 443 HA PHE 56 HA PHE 56 -13.655 -5.326 1.136 444 1HB PHE 56 1HB PHE 56 -11.750 -6.394 -0.306 445 2HB PHE 56 2HB PHE 56 -12.204 -5.237 -1.531 446 HD1 PHE 56 HD1 PHE 56 -11.669 -5.223 2.224 447 HD2 PHE 56 HD2 PHE 56 -10.635 -3.452 -1.576 448 HE1 PHE 56 HE1 PHE 56 -9.968 -3.852 3.333 449 HE2 PHE 56 HE2 PHE 56 -8.891 -2.098 -0.455 450 HZ PHE 56 HZ PHE 56 -8.517 -2.318 1.994 451 H TYR 57 H TYR 57 -16.181 -5.255 0.163 452 HA TYR 57 HA TYR 57 -16.382 -2.497 -0.820 453 1HB TYR 57 1HB TYR 57 -17.844 -4.815 -2.166 454 2HB TYR 57 2HB TYR 57 -18.165 -3.107 -2.438 455 HD1 TYR 57 HD1 TYR 57 -15.794 -1.753 -3.025 456 HD2 TYR 57 HD2 TYR 57 -16.900 -5.786 -4.058 457 HE1 TYR 57 HE1 TYR 57 -14.294 -1.668 -4.985 458 HE2 TYR 57 HE2 TYR 57 -15.367 -5.719 -5.987 459 HH TYR 57 HH TYR 57 -13.933 -4.441 -7.239 460 H SER 58 H SER 58 -18.376 -5.407 -0.209 461 HA SER 58 HA SER 58 -20.553 -3.941 0.879 462 1HB SER 58 1HB SER 58 -20.740 -6.108 -0.305 463 2HB SER 58 2HB SER 58 -19.921 -6.919 1.047 464 HG SER 58 HG SER 58 -22.191 -7.036 1.216 465 H GLU 59 H GLU 59 -17.997 -5.951 2.415 466 HA GLU 59 HA GLU 59 -19.153 -5.849 5.016 467 1HB GLU 59 1HB GLU 59 -16.329 -6.562 4.153 468 2HB GLU 59 2HB GLU 59 -17.072 -6.929 5.721 469 1HG GLU 59 1HG GLU 59 -18.879 -8.205 4.480 470 2HG GLU 59 2HG GLU 59 -17.923 -8.017 2.999 471 H VAL 60 H VAL 60 -17.399 -3.438 3.361 472 HA VAL 60 HA VAL 60 -16.782 -1.405 3.896 473 HB VAL 60 HB VAL 60 -17.686 -1.835 6.765 474 1HG1 VAL 60 1HG1 VAL 60 -17.226 0.678 5.118 475 2HG1 VAL 60 2HG1 VAL 60 -17.984 0.627 6.720 476 3HG1 VAL 60 3HG1 VAL 60 -16.298 0.155 6.542 477 1HG2 VAL 60 1HG2 VAL 60 -19.209 -0.888 4.310 478 2HG2 VAL 60 2HG2 VAL 60 -19.584 -2.308 5.310 479 3HG2 VAL 60 3HG2 VAL 60 -19.783 -0.689 5.980 480 H LEU 61 H LEU 61 -14.969 -0.302 4.525 481 HA LEU 61 HA LEU 61 -12.837 -1.743 5.999 482 1HB LEU 61 1HB LEU 61 -11.342 -0.964 4.031 483 2HB LEU 61 2HB LEU 61 -12.257 -2.454 3.870 484 HG LEU 61 HG LEU 61 -13.609 0.020 2.859 485 1HD1 LEU 61 1HD1 LEU 61 -11.205 0.174 2.047 486 2HD1 LEU 61 2HD1 LEU 61 -11.508 -1.341 1.183 487 3HD1 LEU 61 3HD1 LEU 61 -12.463 0.097 0.799 488 1HD2 LEU 61 1HD2 LEU 61 -13.337 -2.811 1.754 489 2HD2 LEU 61 2HD2 LEU 61 -14.731 -2.221 2.662 490 3HD2 LEU 61 3HD2 LEU 61 -14.357 -1.531 1.087 491 H THR 62 H THR 62 -11.030 -0.313 6.531 492 HA THR 62 HA THR 62 -11.688 2.570 6.718 493 HB THR 62 HB THR 62 -11.246 0.660 9.059 494 HG1 THR 62 HG1 THR 62 -13.371 0.758 8.271 495 1HG2 THR 62 1HG2 THR 62 -11.437 3.701 9.009 496 2HG2 THR 62 2HG2 THR 62 -11.561 2.695 10.471 497 3HG2 THR 62 3HG2 THR 62 -10.051 2.733 9.552 498 H ILE 63 H ILE 63 -9.888 3.822 6.610 499 HA ILE 63 HA ILE 63 -7.219 2.464 6.620 500 HB ILE 63 HB ILE 63 -8.044 5.062 5.297 501 1HG1 ILE 63 1HG1 ILE 63 -7.515 2.362 3.967 502 2HG1 ILE 63 2HG1 ILE 63 -9.124 3.035 4.256 503 1HG2 ILE 63 1HG2 ILE 63 -5.623 4.865 5.961 504 2HG2 ILE 63 2HG2 ILE 63 -5.518 3.366 5.022 505 3HG2 ILE 63 3HG2 ILE 63 -5.836 4.916 4.218 506 1HD1 ILE 63 1HD1 ILE 63 -8.468 5.082 2.952 507 2HD1 ILE 63 2HD1 ILE 63 -7.007 4.201 2.434 508 3HD1 ILE 63 3HD1 ILE 63 -8.615 3.580 2.040 509 H VAL 64 H VAL 64 -5.880 2.988 8.241 510 HA VAL 64 HA VAL 64 -6.502 5.178 10.108 511 HB VAL 64 HB VAL 64 -4.204 3.180 10.058 512 1HG1 VAL 64 1HG1 VAL 64 -5.232 5.061 12.236 513 2HG1 VAL 64 2HG1 VAL 64 -3.971 3.828 12.447 514 3HG1 VAL 64 3HG1 VAL 64 -3.681 5.207 11.383 515 1HG2 VAL 64 1HG2 VAL 64 -6.839 3.141 11.590 516 2HG2 VAL 64 2HG2 VAL 64 -6.343 1.999 10.322 517 3HG2 VAL 64 3HG2 VAL 64 -5.474 2.039 11.858 518 H VAL 65 H VAL 65 -6.297 6.957 8.626 519 HA VAL 65 HA VAL 65 -3.705 7.419 7.291 520 HB VAL 65 HB VAL 65 -6.179 9.183 7.443 521 1HG1 VAL 65 1HG1 VAL 65 -3.713 9.271 5.638 522 2HG1 VAL 65 2HG1 VAL 65 -5.149 10.302 5.482 523 3HG1 VAL 65 3HG1 VAL 65 -4.107 10.454 6.899 524 1HG2 VAL 65 1HG2 VAL 65 -5.231 7.243 5.289 525 2HG2 VAL 65 2HG2 VAL 65 -6.703 7.081 6.278 526 3HG2 VAL 65 3HG2 VAL 65 -6.563 8.401 5.111 527 H ASP 66 H ASP 66 -2.406 7.378 9.195 528 HA ASP 66 HA ASP 66 -1.246 8.265 10.923 529 1HB ASP 66 1HB ASP 66 -2.132 10.894 9.654 530 2HB ASP 66 2HB ASP 66 -0.844 10.705 10.845 531 H GLY 67 H GLY 67 -3.312 7.232 11.980 532 1HA GLY 67 1HA GLY 67 -4.592 7.193 13.864 533 2HA GLY 67 2HA GLY 67 -3.900 8.755 14.327 534 H LYS 68 H LYS 68 -5.789 7.976 11.375 535 HA LYS 68 HA LYS 68 -8.206 9.315 12.457 536 1HB LYS 68 1HB LYS 68 -6.982 9.997 9.750 537 2HB LYS 68 2HB LYS 68 -8.523 10.560 10.402 538 1HG LYS 68 1HG LYS 68 -7.333 11.762 12.218 539 2HG LYS 68 2HG LYS 68 -5.784 11.154 11.612 540 1HD LYS 68 1HD LYS 68 -6.016 13.394 10.867 541 2HD LYS 68 2HD LYS 68 -6.123 12.319 9.464 542 1HE LYS 68 1HE LYS 68 -8.582 12.594 9.421 543 2HE LYS 68 2HE LYS 68 -8.518 13.558 10.911 544 1HZ LYS 68 1HZ LYS 68 -7.291 14.281 8.342 545 2HZ LYS 68 2HZ LYS 68 -8.681 14.913 8.963 546 3HZ LYS 68 3HZ LYS 68 -7.244 15.184 9.720 547 H GLU 69 H GLU 69 -9.691 7.726 12.311 548 HA GLU 69 HA GLU 69 -9.445 5.497 10.467 549 1HB GLU 69 1HB GLU 69 -11.629 6.353 12.407 550 2HB GLU 69 2HB GLU 69 -11.652 4.878 11.424 551 1HG GLU 69 1HG GLU 69 -9.574 4.094 12.496 552 2HG GLU 69 2HG GLU 69 -9.524 5.564 13.490 553 H ILE 70 H ILE 70 -9.438 6.541 8.405 554 HA ILE 70 HA ILE 70 -11.841 7.979 7.503 555 HB ILE 70 HB ILE 70 -9.442 6.969 5.934 556 1HG1 ILE 70 1HG1 ILE 70 -8.550 8.503 7.509 557 2HG1 ILE 70 2HG1 ILE 70 -8.690 9.345 5.973 558 1HG2 ILE 70 1HG2 ILE 70 -11.627 8.974 5.240 559 2HG2 ILE 70 2HG2 ILE 70 -10.173 8.646 4.266 560 3HG2 ILE 70 3HG2 ILE 70 -11.381 7.385 4.511 561 1HD1 ILE 70 1HD1 ILE 70 -10.813 10.432 6.826 562 2HD1 ILE 70 2HD1 ILE 70 -10.506 9.664 8.402 563 3HD1 ILE 70 3HD1 ILE 70 -9.352 10.832 7.746 564 H LYS 71 H LYS 71 -13.581 6.633 7.620 565 HA LYS 71 HA LYS 71 -13.616 3.878 6.796 566 1HB LYS 71 1HB LYS 71 -15.741 5.970 7.352 567 2HB LYS 71 2HB LYS 71 -16.153 4.413 6.631 568 1HG LYS 71 1HG LYS 71 -16.508 4.288 8.982 569 2HG LYS 71 2HG LYS 71 -15.208 3.188 8.511 570 1HD LYS 71 1HD LYS 71 -13.523 4.775 9.355 571 2HD LYS 71 2HD LYS 71 -14.790 5.937 9.788 572 1HE LYS 71 1HE LYS 71 -14.440 3.122 10.939 573 2HE LYS 71 2HE LYS 71 -13.925 4.623 11.722 574 1HZ LYS 71 1HZ LYS 71 -16.191 5.333 11.773 575 2HZ LYS 71 2HZ LYS 71 -16.692 3.918 11.090 576 3HZ LYS 71 3HZ LYS 71 -15.985 3.911 12.577 577 H VAL 72 H VAL 72 -13.957 2.991 4.832 578 HA VAL 72 HA VAL 72 -14.510 4.694 2.470 579 HB VAL 72 HB VAL 72 -12.612 3.342 1.340 580 1HG1 VAL 72 1HG1 VAL 72 -11.920 5.470 3.390 581 2HG1 VAL 72 2HG1 VAL 72 -10.854 4.918 2.091 582 3HG1 VAL 72 3HG1 VAL 72 -12.370 5.725 1.690 583 1HG2 VAL 72 1HG2 VAL 72 -12.314 1.771 3.315 584 2HG2 VAL 72 2HG2 VAL 72 -10.831 2.510 2.691 585 3HG2 VAL 72 3HG2 VAL 72 -11.564 3.112 4.189 586 H LYS 73 H LYS 73 -14.781 3.325 0.520 587 HA LYS 73 HA LYS 73 -16.083 0.681 1.046 588 1HB LYS 73 1HB LYS 73 -17.011 3.042 -0.628 589 2HB LYS 73 2HB LYS 73 -17.608 1.407 -0.917 590 1HG LYS 73 1HG LYS 73 -17.839 2.760 1.803 591 2HG LYS 73 2HG LYS 73 -19.043 2.922 0.514 592 1HD LYS 73 1HD LYS 73 -19.293 0.422 0.451 593 2HD LYS 73 2HD LYS 73 -18.162 0.296 1.804 594 1HE LYS 73 1HE LYS 73 -20.433 0.120 2.615 595 2HE LYS 73 2HE LYS 73 -19.697 1.610 3.235 596 1HZ LYS 73 1HZ LYS 73 -21.530 1.407 0.942 597 2HZ LYS 73 2HZ LYS 73 -21.939 1.914 2.454 598 3HZ LYS 73 3HZ LYS 73 -20.897 2.805 1.545 599 H ALA 74 H ALA 74 -14.429 2.814 -1.263 600 HA ALA 74 HA ALA 74 -12.985 2.459 -2.903 601 1HB ALA 74 1HB ALA 74 -11.960 0.674 -1.463 602 2HB ALA 74 2HB ALA 74 -12.947 -0.530 -2.325 603 3HB ALA 74 3HB ALA 74 -11.746 0.430 -3.200 604 H GLN 75 H GLN 75 -12.745 1.788 -5.072 605 HA GLN 75 HA GLN 75 -15.224 0.712 -6.348 606 1HB GLN 75 1HB GLN 75 -13.652 3.236 -7.015 607 2HB GLN 75 2HB GLN 75 -14.765 2.462 -8.150 608 1HG GLN 75 1HG GLN 75 -15.524 3.473 -5.377 609 2HG GLN 75 2HG GLN 75 -15.767 4.369 -6.879 610 1HE2 GLN 75 2HE2 GLN 75 -16.947 2.970 -8.672 611 2HE2 GLN 75 1HE2 GLN 75 -18.381 2.138 -8.105 612 H ASP 76 H ASP 76 -12.143 1.971 -7.700 613 HA ASP 76 HA ASP 76 -11.912 -0.490 -9.273 614 1HB ASP 76 1HB ASP 76 -10.234 2.039 -9.322 615 2HB ASP 76 2HB ASP 76 -10.165 0.697 -10.461 616 H VAL 77 H VAL 77 -11.638 -1.801 -7.356 617 HA VAL 77 HA VAL 77 -9.113 -1.754 -5.883 618 HB VAL 77 HB VAL 77 -11.449 -3.698 -6.053 619 1HG1 VAL 77 1HG1 VAL 77 -8.983 -3.830 -4.302 620 2HG1 VAL 77 2HG1 VAL 77 -10.471 -4.750 -4.003 621 3HG1 VAL 77 3HG1 VAL 77 -9.531 -5.050 -5.465 622 1HG2 VAL 77 1HG2 VAL 77 -11.892 -1.500 -4.930 623 2HG2 VAL 77 2HG2 VAL 77 -11.959 -2.859 -3.798 624 3HG2 VAL 77 3HG2 VAL 77 -10.529 -1.812 -3.838 625 H GLN 78 H GLN 78 -7.365 -2.030 -7.277 626 HA GLN 78 HA GLN 78 -7.482 -4.046 -9.417 627 1HB GLN 78 1HB GLN 78 -5.141 -2.285 -8.620 628 2HB GLN 78 2HB GLN 78 -5.374 -3.185 -10.117 629 1HG GLN 78 1HG GLN 78 -6.988 -0.779 -9.155 630 2HG GLN 78 2HG GLN 78 -5.826 -0.819 -10.476 631 1HE2 GLN 78 2HE2 GLN 78 -6.331 -2.299 -12.350 632 2HE2 GLN 78 1HE2 GLN 78 -8.013 -2.509 -12.788 633 H ARG 79 H ARG 79 -7.965 -5.577 -7.515 634 HA ARG 79 HA ARG 79 -5.479 -6.699 -6.357 635 1HB ARG 79 1HB ARG 79 -7.378 -6.225 -4.863 636 2HB ARG 79 2HB ARG 79 -8.403 -7.361 -5.745 637 1HG ARG 79 1HG ARG 79 -5.731 -8.322 -4.720 638 2HG ARG 79 2HG ARG 79 -6.997 -8.030 -3.530 639 1HD ARG 79 1HD ARG 79 -8.335 -9.740 -4.266 640 2HD ARG 79 2HD ARG 79 -7.693 -9.735 -5.911 641 HE ARG 79 HE ARG 79 -5.506 -10.514 -4.839 642 1HH1 ARG 79 1HH2 ARG 79 -8.722 -11.665 -3.808 643 2HH1 ARG 79 2HH2 ARG 79 -8.125 -13.252 -3.408 644 1HH2 ARG 79 1HH1 ARG 79 -4.785 -12.564 -4.327 645 2HH2 ARG 79 2HH1 ARG 79 -5.880 -13.767 -3.697 646 H HIS 80 H HIS 80 -4.498 -8.278 -7.444 647 HA HIS 80 HA HIS 80 -5.709 -9.619 -9.678 648 1HB HIS 80 1HB HIS 80 -3.324 -8.981 -9.465 649 2HB HIS 80 2HB HIS 80 -3.121 -10.184 -8.189 650 HD1 HIS 80 HD1 HIS 80 -5.214 -11.909 -10.600 651 HD2 HIS 80 HD2 HIS 80 -1.213 -10.621 -10.469 652 HE1 HIS 80 HE1 HIS 80 -3.967 -13.201 -12.411 653 HA PRO 81 HA PRO 81 -7.587 -12.529 -6.698 654 1HB PRO 81 1HB PRO 81 -8.891 -14.221 -8.442 655 2HB PRO 81 2HB PRO 81 -9.485 -12.615 -7.934 656 1HG PRO 81 1HG PRO 81 -7.979 -13.299 -10.461 657 2HG PRO 81 2HG PRO 81 -9.452 -12.307 -10.288 658 1HD PRO 81 1HD PRO 81 -7.031 -11.160 -10.501 659 2HD PRO 81 2HD PRO 81 -8.241 -10.504 -9.367 660 H TYR 82 H TYR 82 -6.154 -13.925 -9.712 661 HA TYR 82 HA TYR 82 -5.204 -16.312 -8.362 662 1HB TYR 82 1HB TYR 82 -4.625 -15.129 -11.099 663 2HB TYR 82 2HB TYR 82 -4.019 -16.680 -10.526 664 HD1 TYR 82 HD1 TYR 82 -6.887 -14.928 -11.945 665 HD2 TYR 82 HD2 TYR 82 -5.621 -18.539 -9.955 666 HE1 TYR 82 HE1 TYR 82 -8.986 -16.049 -12.638 667 HE2 TYR 82 HE2 TYR 82 -7.704 -19.666 -10.674 668 HH TYR 82 HH TYR 82 -9.692 -19.465 -11.819 669 H LYS 83 H LYS 83 -3.756 -15.986 -6.804 670 HA LYS 83 HA LYS 83 -1.801 -15.766 -5.832 671 1HB LYS 83 1HB LYS 83 -0.606 -14.686 -8.422 672 2HB LYS 83 2HB LYS 83 0.265 -15.252 -7.004 673 1HG LYS 83 1HG LYS 83 -0.789 -17.512 -7.268 674 2HG LYS 83 2HG LYS 83 -1.542 -16.952 -8.777 675 1HD LYS 83 1HD LYS 83 0.707 -16.455 -9.707 676 2HD LYS 83 2HD LYS 83 1.449 -17.067 -8.209 677 1HE LYS 83 1HE LYS 83 0.374 -19.290 -8.602 678 2HE LYS 83 2HE LYS 83 -0.329 -18.673 -10.112 679 1HZ LYS 83 1HZ LYS 83 1.891 -18.327 -10.925 680 2HZ LYS 83 2HZ LYS 83 2.539 -18.909 -9.524 681 3HZ LYS 83 3HZ LYS 83 1.662 -19.902 -10.502 682 HA PRO 84 HA PRO 84 -2.290 -11.751 -4.262 683 1HB PRO 84 1HB PRO 84 -0.194 -11.471 -2.499 684 2HB PRO 84 2HB PRO 84 -1.545 -12.612 -2.259 685 1HG PRO 84 1HG PRO 84 1.177 -13.204 -3.454 686 2HG PRO 84 2HG PRO 84 0.332 -14.099 -2.156 687 1HD PRO 84 1HD PRO 84 0.224 -14.936 -4.724 688 2HD PRO 84 2HD PRO 84 -1.228 -15.016 -3.681 689 H LYS 85 H LYS 85 -2.096 -10.040 -5.619 690 HA LYS 85 HA LYS 85 0.443 -8.667 -5.725 691 1HB LYS 85 1HB LYS 85 0.642 -10.215 -7.683 692 2HB LYS 85 2HB LYS 85 -0.841 -9.537 -8.335 693 1HG LYS 85 1HG LYS 85 1.100 -8.560 -9.416 694 2HG LYS 85 2HG LYS 85 0.189 -7.332 -8.540 695 1HD LYS 85 1HD LYS 85 2.584 -7.009 -8.357 696 2HD LYS 85 2HD LYS 85 1.888 -7.253 -6.763 697 1HE LYS 85 1HE LYS 85 3.124 -9.574 -8.319 698 2HE LYS 85 2HE LYS 85 4.139 -8.421 -7.443 699 1HZ LYS 85 1HZ LYS 85 2.987 -8.942 -5.442 700 2HZ LYS 85 2HZ LYS 85 2.045 -10.060 -6.196 701 3HZ LYS 85 3HZ LYS 85 3.670 -10.286 -6.100 702 H LEU 86 H LEU 86 -0.427 -6.989 -4.680 703 HA LEU 86 HA LEU 86 -2.912 -5.717 -5.639 704 1HB LEU 86 1HB LEU 86 -1.894 -6.188 -3.099 705 2HB LEU 86 2HB LEU 86 -1.404 -4.526 -3.364 706 HG LEU 86 HG LEU 86 -3.799 -4.001 -3.967 707 1HD1 LEU 86 1HD1 LEU 86 -4.492 -6.424 -4.447 708 2HD1 LEU 86 2HD1 LEU 86 -4.375 -6.748 -2.723 709 3HD1 LEU 86 3HD1 LEU 86 -5.553 -5.578 -3.327 710 1HD2 LEU 86 1HD2 LEU 86 -2.698 -3.827 -1.600 711 2HD2 LEU 86 2HD2 LEU 86 -4.464 -3.740 -1.708 712 3HD2 LEU 86 3HD2 LEU 86 -3.666 -5.237 -1.196 713 H GLN 87 H GLN 87 -2.525 -4.653 -7.470 714 HA GLN 87 HA GLN 87 -0.023 -3.317 -8.035 715 1HB GLN 87 1HB GLN 87 -2.756 -3.178 -9.382 716 2HB GLN 87 2HB GLN 87 -1.269 -2.512 -10.059 717 1HG GLN 87 1HG GLN 87 -1.727 -5.473 -9.436 718 2HG GLN 87 2HG GLN 87 -1.975 -4.715 -11.010 719 1HE2 GLN 87 2HE2 GLN 87 -0.342 -6.752 -11.164 720 2HE2 GLN 87 1HE2 GLN 87 1.333 -6.252 -11.283 721 H HIS 88 H HIS 88 -3.352 -2.224 -7.279 722 HA HIS 88 HA HIS 88 -2.447 0.181 -5.938 723 1HB HIS 88 1HB HIS 88 -2.272 0.788 -8.382 724 2HB HIS 88 2HB HIS 88 -3.982 0.390 -8.571 725 HD1 HIS 88 HD1 HIS 88 -5.683 2.335 -7.886 726 HD2 HIS 88 HD2 HIS 88 -1.666 2.934 -6.739 727 HE1 HIS 88 HE1 HIS 88 -5.522 4.698 -6.970 728 H ILE 89 H ILE 89 -4.367 1.331 -5.023 729 HA ILE 89 HA ILE 89 -6.963 -0.053 -5.310 730 HB ILE 89 HB ILE 89 -5.802 0.764 -2.620 731 1HG1 ILE 89 1HG1 ILE 89 -4.845 -1.409 -3.443 732 2HG1 ILE 89 2HG1 ILE 89 -5.761 -1.499 -1.947 733 1HG2 ILE 89 1HG2 ILE 89 -8.514 -0.348 -3.453 734 2HG2 ILE 89 2HG2 ILE 89 -7.940 -0.298 -1.776 735 3HG2 ILE 89 3HG2 ILE 89 -8.178 1.203 -2.682 736 1HD1 ILE 89 1HD1 ILE 89 -6.967 -2.234 -4.648 737 2HD1 ILE 89 2HD1 ILE 89 -6.207 -3.374 -3.537 738 3HD1 ILE 89 3HD1 ILE 89 -7.653 -2.492 -3.030 739 H ASP 90 H ASP 90 -8.370 1.373 -5.967 740 HA ASP 90 HA ASP 90 -8.014 4.276 -5.419 741 1HB ASP 90 1HB ASP 90 -9.855 2.764 -7.292 742 2HB ASP 90 2HB ASP 90 -9.768 4.520 -7.131 743 H PHE 91 H PHE 91 -8.522 4.096 -3.175 744 HA PHE 91 HA PHE 91 -10.986 2.928 -2.223 745 1HB PHE 91 1HB PHE 91 -9.135 4.961 -0.956 746 2HB PHE 91 2HB PHE 91 -10.458 4.140 -0.148 747 HD1 PHE 91 HD1 PHE 91 -10.376 1.642 0.184 748 HD2 PHE 91 HD2 PHE 91 -6.963 3.947 -1.101 749 HE1 PHE 91 HE1 PHE 91 -8.854 -0.010 1.236 750 HE2 PHE 91 HE2 PHE 91 -5.453 2.268 -0.077 751 HZ PHE 91 HZ PHE 91 -6.390 0.293 1.098 752 H VAL 92 H VAL 92 -12.909 4.126 -1.530 753 HA VAL 92 HA VAL 92 -12.962 7.005 -2.183 754 HB VAL 92 HB VAL 92 -14.082 5.806 -4.048 755 1HG1 VAL 92 1HG1 VAL 92 -16.203 5.082 -1.970 756 2HG1 VAL 92 2HG1 VAL 92 -16.352 4.922 -3.719 757 3HG1 VAL 92 3HG1 VAL 92 -15.160 3.946 -2.857 758 1HG2 VAL 92 1HG2 VAL 92 -14.588 8.145 -3.472 759 2HG2 VAL 92 2HG2 VAL 92 -16.015 7.307 -4.096 760 3HG2 VAL 92 3HG2 VAL 92 -15.863 7.607 -2.355 761 H ARG 93 H ARG 93 -13.749 8.213 -0.606 762 HA ARG 93 HA ARG 93 -14.044 7.190 2.010 763 1HB ARG 93 1HB ARG 93 -14.732 9.857 0.747 764 2HB ARG 93 2HB ARG 93 -14.864 9.551 2.490 765 1HG ARG 93 1HG ARG 93 -12.528 9.097 2.717 766 2HG ARG 93 2HG ARG 93 -12.290 9.002 0.970 767 1HD ARG 93 1HD ARG 93 -12.853 11.398 0.743 768 2HD ARG 93 2HD ARG 93 -13.022 11.539 2.492 769 HE ARG 93 HE ARG 93 -10.569 11.193 0.868 770 1HH1 ARG 93 1HH2 ARG 93 -11.890 11.351 4.171 771 2HH1 ARG 93 2HH2 ARG 93 -10.318 11.502 4.910 772 1HH2 ARG 93 1HH1 ARG 93 -8.532 11.314 1.870 773 2HH2 ARG 93 2HH1 ARG 93 -8.406 11.484 3.601 774 H ALA 94 H ALA 94 -15.727 6.491 3.182 775 HA ALA 94 HA ALA 94 -18.203 5.802 1.892 776 1HB ALA 94 1HB ALA 94 -17.146 4.427 3.659 777 2HB ALA 94 2HB ALA 94 -17.401 5.739 4.830 778 3HB ALA 94 3HB ALA 94 -18.796 4.908 4.106
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