NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
3540 | 1du2 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 30.121 -18.044 13.941 2 HA MET 1 HA MET 1 31.348 -17.863 12.148 3 1HB MET 1 1HB MET 1 30.194 -20.197 11.914 4 2HB MET 1 2HB MET 1 29.168 -19.456 10.702 5 1HG MET 1 1HG MET 1 30.951 -19.132 9.186 6 2HG MET 1 2HG MET 1 32.167 -19.138 10.447 7 1HE MET 1 1HE MET 1 33.782 -20.686 9.670 8 2HE MET 1 2HE MET 1 33.513 -22.323 9.023 9 3HE MET 1 3HE MET 1 33.018 -20.899 8.077 10 H LEU 2 H LEU 2 27.874 -17.565 11.124 11 HA LEU 2 HA LEU 2 28.278 -14.939 10.181 12 1HB LEU 2 1HB LEU 2 27.985 -15.283 7.812 13 2HB LEU 2 2HB LEU 2 29.460 -16.040 8.381 14 HG LEU 2 HG LEU 2 27.107 -17.829 8.295 15 1HD1 LEU 2 1HD1 LEU 2 26.756 -17.944 6.033 16 2HD1 LEU 2 2HD1 LEU 2 27.037 -16.197 6.229 17 3HD1 LEU 2 3HD1 LEU 2 28.344 -17.248 5.633 18 1HD2 LEU 2 1HD2 LEU 2 29.001 -19.012 8.755 19 2HD2 LEU 2 2HD2 LEU 2 28.997 -19.146 6.980 20 3HD2 LEU 2 3HD2 LEU 2 30.044 -17.948 7.780 21 H LYS 3 H LYS 3 26.545 -15.111 11.905 22 HA LYS 3 HA LYS 3 24.021 -15.024 10.615 23 1HB LYS 3 1HB LYS 3 24.805 -17.575 11.577 24 2HB LYS 3 2HB LYS 3 23.616 -16.961 12.707 25 1HG LYS 3 1HG LYS 3 21.916 -16.901 11.117 26 2HG LYS 3 2HG LYS 3 23.013 -16.568 9.792 27 1HD LYS 3 1HD LYS 3 22.657 -18.769 9.258 28 2HD LYS 3 2HD LYS 3 23.877 -19.073 10.479 29 1HE LYS 3 2HE LYS 3 20.890 -18.932 11.100 30 2HE LYS 3 3HE LYS 3 21.724 -20.429 10.733 31 1HZ LYS 3 1HZ LYS 3 22.185 -18.642 13.006 32 2HZ LYS 3 2HZ LYS 3 21.752 -20.216 13.033 33 3HZ LYS 3 3HZ LYS 3 23.265 -19.793 12.587 34 H ASN 4 H ASN 4 22.273 -14.428 12.259 35 HA ASN 4 HA ASN 4 23.012 -13.748 14.843 36 1HB ASN 4 1HB ASN 4 23.802 -11.818 12.822 37 2HB ASN 4 2HB ASN 4 22.512 -11.111 13.773 38 1HD2 ASN 4 1HD2 ASN 4 25.788 -12.037 13.641 39 2HD2 ASN 4 2HD2 ASN 4 26.274 -11.595 15.244 40 H LEU 5 H LEU 5 21.118 -12.813 15.984 41 HA LEU 5 HA LEU 5 18.677 -13.613 15.023 42 1HB LEU 5 1HB LEU 5 17.736 -12.212 16.817 43 2HB LEU 5 2HB LEU 5 19.036 -13.264 17.340 44 HG LEU 5 HG LEU 5 20.424 -10.973 16.799 45 1HD1 LEU 5 1HD1 LEU 5 19.082 -9.215 16.618 46 2HD1 LEU 5 2HD1 LEU 5 17.647 -10.199 16.992 47 3HD1 LEU 5 3HD1 LEU 5 18.597 -9.474 18.311 48 1HD2 LEU 5 1HD2 LEU 5 19.320 -12.264 19.230 49 2HD2 LEU 5 2HD2 LEU 5 20.999 -11.868 18.792 50 3HD2 LEU 5 3HD2 LEU 5 19.918 -10.598 19.416 51 H ALA 6 H ALA 6 16.724 -12.164 14.563 52 HA ALA 6 HA ALA 6 15.702 -10.706 13.252 53 1HB ALA 6 1HB ALA 6 16.265 -8.738 14.216 54 2HB ALA 6 2HB ALA 6 17.975 -9.206 14.378 55 3HB ALA 6 3HB ALA 6 17.377 -8.539 12.840 56 H LYS 7 H LYS 7 15.629 -12.016 11.399 57 HA LYS 7 HA LYS 7 17.906 -12.084 9.647 58 1HB LYS 7 1HB LYS 7 15.637 -13.701 10.142 59 2HB LYS 7 2HB LYS 7 15.477 -13.135 8.492 60 1HG LYS 7 1HG LYS 7 18.146 -13.756 8.509 61 2HG LYS 7 2HG LYS 7 17.568 -14.905 9.699 62 1HD LYS 7 1HD LYS 7 15.649 -15.244 7.780 63 2HD LYS 7 2HD LYS 7 16.990 -14.756 6.762 64 1HE LYS 7 2HE LYS 7 18.079 -16.627 8.622 65 2HE LYS 7 3HE LYS 7 16.547 -17.307 8.109 66 1HZ LYS 7 1HZ LYS 7 18.864 -16.632 6.486 67 2HZ LYS 7 2HZ LYS 7 17.970 -17.998 6.489 68 3HZ LYS 7 3HZ LYS 7 17.387 -16.642 5.790 69 H LEU 8 H LEU 8 14.596 -10.633 9.689 70 HA LEU 8 HA LEU 8 15.172 -8.277 8.579 71 1HB LEU 8 1HB LEU 8 14.537 -8.692 6.119 72 2HB LEU 8 2HB LEU 8 16.186 -8.957 6.649 73 HG LEU 8 HG LEU 8 15.003 -11.452 6.982 74 1HD1 LEU 8 1HD1 LEU 8 14.064 -10.329 4.330 75 2HD1 LEU 8 2HD1 LEU 8 13.827 -11.978 4.955 76 3HD1 LEU 8 3HD1 LEU 8 13.016 -10.603 5.743 77 1HD2 LEU 8 1HD2 LEU 8 16.233 -11.521 4.478 78 2HD2 LEU 8 2HD2 LEU 8 17.041 -10.192 5.345 79 3HD2 LEU 8 3HD2 LEU 8 16.991 -11.821 6.060 80 H ASP 9 H ASP 9 13.398 -7.397 9.514 81 HA ASP 9 HA ASP 9 10.904 -7.874 8.359 82 1HB ASP 9 1HB ASP 9 11.496 -9.136 11.055 83 2HB ASP 9 2HB ASP 9 9.874 -8.581 10.692 84 H GLN 10 H GLN 10 12.378 -5.561 8.672 85 HA GLN 10 HA GLN 10 11.286 -4.288 11.051 86 1HB GLN 10 1HB GLN 10 13.844 -4.301 10.430 87 2HB GLN 10 2HB GLN 10 13.408 -3.065 9.266 88 1HG GLN 10 1HG GLN 10 12.204 -1.888 11.281 89 2HG GLN 10 2HG GLN 10 13.142 -2.969 12.293 90 1HE2 GLN 10 1HE2 GLN 10 13.129 -0.177 10.312 91 2HE2 GLN 10 2HE2 GLN 10 14.787 0.293 10.482 92 H THR 11 H THR 11 11.086 -4.499 7.574 93 HA THR 11 HA THR 11 10.254 -1.957 6.875 94 HB THR 11 HB THR 11 9.687 -4.775 5.866 95 HG1 THR 11 1HG THR 11 11.338 -4.078 4.482 96 1HG2 THR 11 1HG2 THR 11 8.490 -3.953 4.002 97 2HG2 THR 11 2HG2 THR 11 7.812 -2.954 5.310 98 3HG2 THR 11 3HG2 THR 11 9.071 -2.288 4.244 99 H GLU 12 H GLU 12 8.592 -4.436 8.756 100 HA GLU 12 HA GLU 12 6.016 -3.461 8.328 101 1HB GLU 12 1HB GLU 12 6.860 -5.708 9.391 102 2HB GLU 12 2HB GLU 12 6.902 -4.810 10.895 103 1HG GLU 12 1HG GLU 12 4.451 -4.098 10.316 104 2HG GLU 12 2HG GLU 12 4.494 -5.388 9.129 105 H MET 13 H MET 13 8.708 -2.414 10.362 106 HA MET 13 HA MET 13 7.289 -1.049 12.292 107 1HB MET 13 1HB MET 13 9.414 -0.064 12.816 108 2HB MET 13 2HB MET 13 9.844 -1.587 12.064 109 1HG MET 13 1HG MET 13 11.226 -0.162 10.848 110 2HG MET 13 2HG MET 13 9.810 -0.128 9.817 111 1HE MET 13 1HE MET 13 12.331 2.404 10.695 112 2HE MET 13 2HE MET 13 11.705 3.188 12.165 113 3HE MET 13 3HE MET 13 12.092 1.451 12.179 114 H ASP 14 H ASP 14 8.098 -0.219 8.926 115 HA ASP 14 HA ASP 14 7.361 2.513 9.310 116 1HB ASP 14 1HB ASP 14 9.108 1.606 7.642 117 2HB ASP 14 2HB ASP 14 7.765 1.011 6.686 118 H LYS 15 H LYS 15 5.940 -0.581 8.356 119 HA LYS 15 HA LYS 15 3.692 0.596 7.010 120 1HB LYS 15 1HB LYS 15 4.759 -2.119 7.513 121 2HB LYS 15 2HB LYS 15 3.012 -2.010 7.436 122 1HG LYS 15 1HG LYS 15 4.026 -2.426 5.190 123 2HG LYS 15 2HG LYS 15 3.113 -0.930 5.233 124 1HD LYS 15 1HD LYS 15 6.044 -0.774 5.907 125 2HD LYS 15 2HD LYS 15 5.622 -1.062 4.231 126 1HE LYS 15 2HE LYS 15 3.866 0.977 4.866 127 2HE LYS 15 3HE LYS 15 5.229 1.385 5.889 128 1HZ LYS 15 1HZ LYS 15 6.040 0.627 3.283 129 2HZ LYS 15 2HZ LYS 15 5.021 1.903 3.250 130 3HZ LYS 15 3HZ LYS 15 6.396 1.980 4.127 131 H VAL 16 H VAL 16 4.493 -0.764 10.234 132 HA VAL 16 HA VAL 16 1.884 -0.820 11.220 133 HB VAL 16 HB VAL 16 4.481 -1.394 12.093 134 1HG1 VAL 16 1HG1 VAL 16 4.511 -0.423 14.383 135 2HG1 VAL 16 2HG1 VAL 16 4.700 0.800 13.104 136 3HG1 VAL 16 3HG1 VAL 16 3.136 0.613 13.933 137 1HG2 VAL 16 1HG2 VAL 16 3.223 -2.379 14.077 138 2HG2 VAL 16 2HG2 VAL 16 1.747 -1.687 13.362 139 3HG2 VAL 16 3HG2 VAL 16 2.686 -2.902 12.462 140 H ASN 17 H ASN 17 3.883 1.815 10.267 141 HA ASN 17 HA ASN 17 2.793 3.642 12.164 142 1HB ASN 17 1HB ASN 17 4.991 4.212 11.418 143 2HB ASN 17 2HB ASN 17 4.620 3.850 9.744 144 1HD2 ASN 17 1HD2 ASN 17 3.225 5.252 8.563 145 2HD2 ASN 17 2HD2 ASN 17 3.094 6.933 8.960 146 H VAL 18 H VAL 18 2.805 3.408 8.516 147 HA VAL 18 HA VAL 18 0.673 5.199 8.183 148 HB VAL 18 HB VAL 18 2.029 3.140 6.460 149 1HG1 VAL 18 1HG1 VAL 18 -0.013 3.018 5.408 150 2HG1 VAL 18 2HG1 VAL 18 -0.494 4.658 5.903 151 3HG1 VAL 18 3HG1 VAL 18 0.680 4.435 4.584 152 1HG2 VAL 18 1HG2 VAL 18 3.463 4.888 6.413 153 2HG2 VAL 18 2HG2 VAL 18 2.312 5.549 5.227 154 3HG2 VAL 18 3HG2 VAL 18 2.225 6.058 6.930 155 H ASP 19 H ASP 19 0.787 1.984 9.382 156 HA ASP 19 HA ASP 19 -1.443 0.847 8.322 157 1HB ASP 19 1HB ASP 19 0.352 0.300 10.399 158 2HB ASP 19 2HB ASP 19 -1.174 0.453 11.247 159 H LEU 20 H LEU 20 -1.047 3.470 10.688 160 HA LEU 20 HA LEU 20 -3.801 3.337 11.549 161 1HB LEU 20 1HB LEU 20 -1.714 3.950 12.942 162 2HB LEU 20 2HB LEU 20 -1.833 5.520 12.175 163 HG LEU 20 HG LEU 20 -4.351 5.362 13.030 164 1HD1 LEU 20 1HD1 LEU 20 -3.308 4.129 15.463 165 2HD1 LEU 20 2HD1 LEU 20 -4.840 3.857 14.599 166 3HD1 LEU 20 3HD1 LEU 20 -3.365 3.005 14.085 167 1HD2 LEU 20 1HD2 LEU 20 -2.336 6.021 15.144 168 2HD2 LEU 20 2HD2 LEU 20 -2.328 6.939 13.618 169 3HD2 LEU 20 3HD2 LEU 20 -3.792 6.907 14.630 170 H ALA 21 H ALA 21 -1.794 4.954 9.139 171 HA ALA 21 HA ALA 21 -3.340 7.208 8.678 172 1HB ALA 21 1HB ALA 21 -1.579 7.474 7.309 173 2HB ALA 21 2HB ALA 21 -1.164 5.748 7.445 174 3HB ALA 21 3HB ALA 21 -2.313 6.292 6.198 175 H ALA 22 H ALA 22 -3.284 4.410 6.384 176 HA ALA 22 HA ALA 22 -6.204 4.711 6.193 177 1HB ALA 22 1HB ALA 22 -5.087 5.505 4.174 178 2HB ALA 22 2HB ALA 22 -4.144 4.000 4.066 179 3HB ALA 22 3HB ALA 22 -5.908 3.965 3.826 180 H ALA 23 H ALA 23 -7.317 2.636 5.466 181 HA ALA 23 HA ALA 23 -5.969 0.370 6.765 182 1HB ALA 23 1HB ALA 23 -8.932 0.428 6.330 183 2HB ALA 23 2HB ALA 23 -7.990 -0.239 7.685 184 3HB ALA 23 3HB ALA 23 -8.260 1.517 7.568 185 H GLY 24 H GLY 24 -6.579 1.710 3.783 186 1HA GLY 24 1HA GLY 24 -5.943 0.512 1.842 187 2HA GLY 24 2HA GLY 24 -6.623 -0.953 2.522 188 H VAL 25 H VAL 25 -8.055 2.371 2.405 189 HA VAL 25 HA VAL 25 -10.209 1.224 0.766 190 HB VAL 25 HB VAL 25 -10.925 3.590 2.282 191 1HG1 VAL 25 1HG1 VAL 25 -12.928 2.571 2.293 192 2HG1 VAL 25 2HG1 VAL 25 -12.183 1.401 1.178 193 3HG1 VAL 25 3HG1 VAL 25 -12.254 1.048 2.921 194 1HG2 VAL 25 1HG2 VAL 25 -9.479 2.994 4.023 195 2HG2 VAL 25 2HG2 VAL 25 -11.026 2.248 4.494 196 3HG2 VAL 25 3HG2 VAL 25 -9.739 1.250 3.774 197 H ALA 26 H ALA 26 -9.343 4.594 1.756 198 HA ALA 26 HA ALA 26 -9.969 5.817 -0.568 199 1HB ALA 26 1HB ALA 26 -9.410 7.155 1.294 200 2HB ALA 26 2HB ALA 26 -7.837 6.352 1.515 201 3HB ALA 26 3HB ALA 26 -8.087 7.457 0.142 202 H PHE 27 H PHE 27 -7.074 3.863 0.175 203 HA PHE 27 HA PHE 27 -5.422 4.630 -1.865 204 1HB PHE 27 1HB PHE 27 -5.979 2.270 -0.131 205 2HB PHE 27 2HB PHE 27 -5.242 1.804 -1.651 206 HD1 PHE 27 1HD PHE 27 -4.432 2.315 1.566 207 HD2 PHE 27 2HD PHE 27 -3.281 3.753 -2.257 208 HE1 PHE 27 1HE PHE 27 -2.173 2.924 2.475 209 HE2 PHE 27 2HE PHE 27 -1.022 4.362 -1.348 210 HZ PHE 27 HZ PHE 27 -0.495 3.940 1.008 211 H LYS 28 H LYS 28 -7.748 1.827 -1.946 212 HA LYS 28 HA LYS 28 -8.760 2.438 -4.456 213 1HB LYS 28 1HB LYS 28 -7.632 0.797 -5.883 214 2HB LYS 28 2HB LYS 28 -6.527 2.037 -5.326 215 1HG LYS 28 1HG LYS 28 -5.703 0.510 -3.530 216 2HG LYS 28 2HG LYS 28 -6.824 -0.728 -4.060 217 1HD LYS 28 1HD LYS 28 -4.632 0.475 -5.816 218 2HD LYS 28 2HD LYS 28 -4.482 -1.042 -4.951 219 1HE LYS 28 2HE LYS 28 -6.451 -1.951 -6.206 220 2HE LYS 28 3HE LYS 28 -6.600 -0.434 -7.071 221 1HZ LYS 28 1HZ LYS 28 -5.216 -2.402 -8.015 222 2HZ LYS 28 2HZ LYS 28 -4.747 -0.858 -8.268 223 3HZ LYS 28 3HZ LYS 28 -4.020 -1.752 -7.111 224 H GLU 29 H GLU 29 -10.741 1.554 -4.279 225 HA GLU 29 HA GLU 29 -11.667 0.022 -2.386 226 1HB GLU 29 1HB GLU 29 -13.082 -1.073 -4.474 227 2HB GLU 29 2HB GLU 29 -13.408 0.499 -3.771 228 1HG GLU 29 1HG GLU 29 -11.264 0.412 -5.867 229 2HG GLU 29 2HG GLU 29 -12.899 0.121 -6.426 230 H ARG 30 H ARG 30 -9.738 -1.163 -5.161 231 HA ARG 30 HA ARG 30 -8.597 -2.989 -5.421 232 1HB ARG 30 1HB ARG 30 -8.699 -2.857 -2.653 233 2HB ARG 30 2HB ARG 30 -9.417 -4.430 -2.937 234 1HG ARG 30 1HG ARG 30 -7.221 -4.413 -4.684 235 2HG ARG 30 2HG ARG 30 -6.614 -3.560 -3.278 236 1HD ARG 30 1HD ARG 30 -7.058 -5.415 -1.815 237 2HD ARG 30 2HD ARG 30 -8.120 -6.188 -2.975 238 HE ARG 30 HE ARG 30 -5.246 -6.443 -2.862 239 1HH1 ARG 30 1HH1 ARG 30 -4.936 -7.956 -5.991 240 2HH1 ARG 30 2HH1 ARG 30 -4.154 -7.631 -4.480 241 1HH2 ARG 30 1HH2 ARG 30 -7.091 -7.185 -6.373 242 2HH2 ARG 30 2HH2 ARG 30 -7.919 -6.284 -5.146 243 H TYR 31 H TYR 31 -11.538 -3.935 -3.477 244 HA TYR 31 HA TYR 31 -12.231 -5.768 -5.674 245 1HB TYR 31 1HB TYR 31 -13.219 -7.141 -3.849 246 2HB TYR 31 2HB TYR 31 -11.568 -6.754 -3.406 247 HD1 TYR 31 1HD TYR 31 -11.106 -5.042 -1.657 248 HD2 TYR 31 2HD TYR 31 -15.091 -6.293 -2.582 249 HE1 TYR 31 1HE TYR 31 -11.934 -4.048 0.532 250 HE2 TYR 31 2HE TYR 31 -15.906 -5.295 -0.391 251 HH TYR 31 HH TYR 31 -14.292 -3.108 1.302 252 H ASN 32 H ASN 32 -12.895 -2.810 -5.219 253 HA ASN 32 HA ASN 32 -14.602 -1.513 -5.544 254 1HB ASN 32 1HB ASN 32 -15.424 -2.995 -7.293 255 2HB ASN 32 2HB ASN 32 -16.034 -4.149 -6.124 256 1HD2 ASN 32 1HD2 ASN 32 -16.318 -0.730 -7.059 257 2HD2 ASN 32 2HD2 ASN 32 -18.022 -0.567 -6.796 258 H MET 33 H MET 33 -14.152 -1.497 -2.997 259 HA MET 33 HA MET 33 -16.145 -2.764 -1.422 260 1HB MET 33 1HB MET 33 -15.010 -1.493 0.438 261 2HB MET 33 2HB MET 33 -13.854 -2.355 -0.557 262 1HG MET 33 1HG MET 33 -12.777 -0.332 -0.663 263 2HG MET 33 2HG MET 33 -13.953 0.037 -1.909 264 1HE MET 33 1HE MET 33 -15.094 3.138 -0.901 265 2HE MET 33 2HE MET 33 -13.352 3.046 -0.544 266 3HE MET 33 3HE MET 33 -14.028 2.140 -1.920 267 HA PRO 34 HA PRO 34 -19.064 0.450 -1.456 268 1HB PRO 34 1HB PRO 34 -20.479 -0.110 0.814 269 2HB PRO 34 2HB PRO 34 -20.726 -0.954 -0.702 270 1HG PRO 34 1HG PRO 34 -19.348 -1.894 1.738 271 2HG PRO 34 2HG PRO 34 -19.973 -2.835 0.398 272 1HD PRO 34 1HD PRO 34 -17.227 -2.174 0.899 273 2HD PRO 34 2HD PRO 34 -17.864 -3.016 -0.500 274 H VAL 35 H VAL 35 -20.238 2.091 0.206 275 HA VAL 35 HA VAL 35 -18.104 3.786 0.937 276 HB VAL 35 HB VAL 35 -21.016 3.925 1.735 277 1HG1 VAL 35 1HG1 VAL 35 -20.066 6.491 1.263 278 2HG1 VAL 35 2HG1 VAL 35 -20.317 5.736 2.855 279 3HG1 VAL 35 3HG1 VAL 35 -18.710 5.689 2.091 280 1HG2 VAL 35 1HG2 VAL 35 -20.049 3.810 -0.862 281 2HG2 VAL 35 2HG2 VAL 35 -21.611 4.493 -0.350 282 3HG2 VAL 35 3HG2 VAL 35 -20.198 5.557 -0.552 283 H ILE 36 H ILE 36 -17.214 1.651 2.178 284 HA ILE 36 HA ILE 36 -17.573 2.328 4.965 285 HB ILE 36 HB ILE 36 -18.719 -0.064 3.741 286 1HG1 ILE 36 1HG1 ILE 36 -19.053 0.938 6.568 287 2HG1 ILE 36 2HG1 ILE 36 -19.789 1.771 5.214 288 1HG2 ILE 36 1HG2 ILE 36 -16.820 -1.241 4.530 289 2HG2 ILE 36 2HG2 ILE 36 -16.813 -0.350 6.071 290 3HG2 ILE 36 3HG2 ILE 36 -18.114 -1.514 5.722 291 1HD1 ILE 36 1HD1 ILE 36 -21.460 0.248 5.143 292 2HD1 ILE 36 2HD1 ILE 36 -20.283 -1.069 4.925 293 3HD1 ILE 36 3HD1 ILE 36 -20.750 -0.555 6.564 294 H ALA 37 H ALA 37 -15.817 1.434 6.313 295 HA ALA 37 HA ALA 37 -13.473 0.836 4.643 296 1HB ALA 37 1HB ALA 37 -13.994 2.749 6.801 297 2HB ALA 37 2HB ALA 37 -12.575 1.726 7.132 298 3HB ALA 37 3HB ALA 37 -12.650 2.686 5.635 299 H GLU 38 H GLU 38 -15.482 -0.040 7.449 300 HA GLU 38 HA GLU 38 -13.691 -1.887 8.524 301 1HB GLU 38 1HB GLU 38 -15.728 -0.851 9.655 302 2HB GLU 38 2HB GLU 38 -16.732 -1.941 8.719 303 1HG GLU 38 1HG GLU 38 -14.914 -3.726 9.747 304 2HG GLU 38 2HG GLU 38 -14.927 -2.531 11.029 305 H ALA 39 H ALA 39 -15.459 -1.891 5.593 306 HA ALA 39 HA ALA 39 -15.640 -4.804 5.521 307 1HB ALA 39 1HB ALA 39 -16.535 -2.850 3.383 308 2HB ALA 39 2HB ALA 39 -17.120 -4.501 3.698 309 3HB ALA 39 3HB ALA 39 -17.529 -3.183 4.822 310 H VAL 40 H VAL 40 -13.690 -2.080 4.486 311 HA VAL 40 HA VAL 40 -12.547 -3.299 2.211 312 HB VAL 40 HB VAL 40 -12.293 -0.868 3.772 313 1HG1 VAL 40 1HG1 VAL 40 -10.113 -1.438 4.411 314 2HG1 VAL 40 2HG1 VAL 40 -9.767 -2.250 2.865 315 3HG1 VAL 40 3HG1 VAL 40 -9.879 -0.474 2.933 316 1HG2 VAL 40 1HG2 VAL 40 -12.997 -0.334 1.696 317 2HG2 VAL 40 2HG2 VAL 40 -11.262 -0.335 1.298 318 3HG2 VAL 40 3HG2 VAL 40 -12.253 -1.775 0.961 319 H GLU 41 H GLU 41 -11.924 -3.414 5.719 320 HA GLU 41 HA GLU 41 -9.452 -4.807 5.272 321 1HB GLU 41 1HB GLU 41 -10.582 -3.253 7.387 322 2HB GLU 41 2HB GLU 41 -10.342 -4.865 8.033 323 1HG GLU 41 1HG GLU 41 -7.982 -4.475 6.622 324 2HG GLU 41 2HG GLU 41 -8.328 -2.851 7.181 325 H ARG 42 H ARG 42 -12.829 -5.435 6.301 326 HA ARG 42 HA ARG 42 -12.380 -8.026 7.184 327 1HB ARG 42 1HB ARG 42 -14.438 -6.990 7.831 328 2HB ARG 42 2HB ARG 42 -14.823 -6.514 6.189 329 1HG ARG 42 1HG ARG 42 -15.266 -8.834 5.544 330 2HG ARG 42 2HG ARG 42 -14.665 -9.429 7.079 331 1HD ARG 42 1HD ARG 42 -16.522 -8.066 8.220 332 2HD ARG 42 2HD ARG 42 -17.176 -7.750 6.625 333 HE ARG 42 HE ARG 42 -16.726 -10.584 6.974 334 1HH1 ARG 42 1HH1 ARG 42 -20.039 -11.326 7.781 335 2HH1 ARG 42 2HH1 ARG 42 -18.512 -11.975 7.283 336 1HH2 ARG 42 1HH2 ARG 42 -20.270 -9.044 8.135 337 2HH2 ARG 42 2HH2 ARG 42 -18.916 -7.990 7.901 338 H GLU 43 H GLU 43 -12.842 -6.575 3.975 339 HA GLU 43 HA GLU 43 -13.261 -9.166 2.787 340 1HB GLU 43 1HB GLU 43 -13.131 -6.367 1.583 341 2HB GLU 43 2HB GLU 43 -13.437 -7.819 0.651 342 1HG GLU 43 1HG GLU 43 -15.157 -7.439 3.075 343 2HG GLU 43 2HG GLU 43 -15.415 -6.298 1.771 344 H GLN 44 H GLN 44 -11.161 -6.405 1.722 345 HA GLN 44 HA GLN 44 -8.831 -8.017 2.024 346 1HB GLN 44 1HB GLN 44 -10.210 -8.268 -0.403 347 2HB GLN 44 2HB GLN 44 -8.961 -7.096 -0.772 348 1HG GLN 44 1HG GLN 44 -8.184 -9.565 0.784 349 2HG GLN 44 2HG GLN 44 -8.490 -9.732 -0.933 350 1HE2 GLN 44 1HE2 GLN 44 -6.169 -10.363 -0.756 351 2HE2 GLN 44 2HE2 GLN 44 -4.965 -9.134 -0.964 352 HA PRO 45 HA PRO 45 -7.879 -3.713 2.518 353 1HB PRO 45 1HB PRO 45 -5.847 -4.049 4.314 354 2HB PRO 45 2HB PRO 45 -7.525 -3.877 4.787 355 1HG PRO 45 1HG PRO 45 -5.855 -6.316 4.733 356 2HG PRO 45 2HG PRO 45 -7.362 -6.036 5.583 357 1HD PRO 45 1HD PRO 45 -7.009 -7.539 3.165 358 2HD PRO 45 2HD PRO 45 -8.529 -7.161 3.952 359 H GLU 46 H GLU 46 -6.714 -2.415 1.232 360 HA GLU 46 HA GLU 46 -5.019 -3.616 -0.576 361 1HB GLU 46 1HB GLU 46 -6.238 -1.215 -0.443 362 2HB GLU 46 2HB GLU 46 -4.647 -0.707 0.085 363 1HG GLU 46 1HG GLU 46 -4.315 -2.475 -2.179 364 2HG GLU 46 2HG GLU 46 -5.532 -1.285 -2.594 365 H HIS 47 H HIS 47 -4.222 -1.515 2.287 366 HA HIS 47 HA HIS 47 -1.546 -1.489 2.129 367 1HB HIS 47 1HB HIS 47 -1.502 -1.019 4.434 368 2HB HIS 47 2HB HIS 47 -3.044 -0.420 3.854 369 HD1 HIS 47 1HD HIS 47 -5.211 -1.797 4.543 370 HD2 HIS 47 2HD HIS 47 -1.641 -3.051 6.353 371 HE1 HIS 47 1HE HIS 47 -5.887 -3.295 6.494 372 H LEU 48 H LEU 48 -3.573 -4.159 3.495 373 HA LEU 48 HA LEU 48 -1.639 -5.794 4.448 374 1HB LEU 48 1HB LEU 48 -4.364 -6.026 3.525 375 2HB LEU 48 2HB LEU 48 -3.456 -7.466 3.107 376 HG LEU 48 HG LEU 48 -4.526 -7.807 5.225 377 1HD1 LEU 48 1HD1 LEU 48 -2.296 -7.845 6.721 378 2HD1 LEU 48 2HD1 LEU 48 -2.625 -9.017 5.422 379 3HD1 LEU 48 3HD1 LEU 48 -1.565 -7.621 5.114 380 1HD2 LEU 48 1HD2 LEU 48 -4.536 -5.227 5.675 381 2HD2 LEU 48 2HD2 LEU 48 -4.533 -6.380 7.031 382 3HD2 LEU 48 3HD2 LEU 48 -3.022 -5.574 6.545 383 H ARG 49 H ARG 49 -2.318 -4.943 1.081 384 HA ARG 49 HA ARG 49 -1.114 -7.073 -0.144 385 1HB ARG 49 1HB ARG 49 -1.116 -5.725 -2.112 386 2HB ARG 49 2HB ARG 49 -2.431 -5.069 -1.159 387 1HG ARG 49 1HG ARG 49 -0.674 -3.400 -0.197 388 2HG ARG 49 2HG ARG 49 0.369 -3.926 -1.504 389 1HD ARG 49 1HD ARG 49 -2.362 -2.587 -1.749 390 2HD ARG 49 2HD ARG 49 -0.816 -1.945 -2.268 391 HE ARG 49 HE ARG 49 -1.580 -4.508 -3.516 392 1HH1 ARG 49 1HH1 ARG 49 -1.972 -3.003 -6.641 393 2HH1 ARG 49 2HH1 ARG 49 -1.873 -4.505 -5.783 394 1HH2 ARG 49 1HH2 ARG 49 -1.807 -0.995 -5.488 395 2HH2 ARG 49 2HH2 ARG 49 -1.585 -0.998 -3.771 396 H SER 50 H SER 50 0.253 -4.060 1.269 397 HA SER 50 HA SER 50 2.898 -4.974 0.495 398 1HB SER 50 1HB SER 50 2.413 -2.331 1.860 399 2HB SER 50 2HB SER 50 3.629 -2.754 0.672 400 HG SER 50 HG SER 50 1.692 -1.370 -0.008 401 H TRP 51 H TRP 51 0.701 -4.459 3.221 402 HA TRP 51 HA TRP 51 2.680 -4.472 5.249 403 1HB TRP 51 1HB TRP 51 -0.275 -4.578 5.082 404 2HB TRP 51 2HB TRP 51 0.441 -5.285 6.516 405 HD1 TRP 51 HD TRP 51 0.593 -3.532 8.435 406 HE1 TRP 51 1HE TRP 51 0.942 -0.933 8.731 407 HE3 TRP 51 3HE TRP 51 1.041 -2.496 3.477 408 HZ2 TRP 51 2HZ TRP 51 1.356 1.216 6.899 409 HZ3 TRP 51 3HZ TRP 51 1.415 -0.122 2.815 410 HH2 TRP 51 HH TRP 51 1.574 1.702 4.434 411 H PHE 52 H PHE 52 1.063 -6.880 3.239 412 HA PHE 52 HA PHE 52 2.030 -9.013 4.988 413 1HB PHE 52 1HB PHE 52 -0.400 -8.755 3.989 414 2HB PHE 52 2HB PHE 52 0.320 -9.156 2.443 415 HD1 PHE 52 1HD PHE 52 -0.568 -10.437 5.758 416 HD2 PHE 52 2HD PHE 52 1.067 -11.408 1.965 417 HE1 PHE 52 1HE PHE 52 -0.821 -12.880 6.275 418 HE2 PHE 52 2HE PHE 52 0.814 -13.851 2.481 419 HZ PHE 52 HZ PHE 52 -0.127 -14.558 4.630 420 H ARG 53 H ARG 53 2.273 -7.628 1.683 421 HA ARG 53 HA ARG 53 4.124 -9.714 0.976 422 1HB ARG 53 1HB ARG 53 2.256 -8.593 -0.547 423 2HB ARG 53 2HB ARG 53 3.449 -7.331 -0.782 424 1HG ARG 53 1HG ARG 53 4.382 -10.171 -1.127 425 2HG ARG 53 2HG ARG 53 3.322 -9.527 -2.365 426 1HD ARG 53 1HD ARG 53 5.307 -7.512 -1.752 427 2HD ARG 53 2HD ARG 53 6.138 -9.033 -2.007 428 HE ARG 53 HE ARG 53 4.739 -7.467 -4.023 429 1HH1 ARG 53 1HH1 ARG 53 5.092 -9.894 -6.505 430 2HH1 ARG 53 2HH1 ARG 53 4.699 -8.241 -6.173 431 1HH2 ARG 53 1HH2 ARG 53 5.660 -11.324 -4.767 432 2HH2 ARG 53 2HH2 ARG 53 5.690 -10.738 -3.138 433 H GLU 54 H GLU 54 4.303 -6.957 2.774 434 HA GLU 54 HA GLU 54 6.027 -5.217 1.892 435 1HB GLU 54 1HB GLU 54 6.375 -4.698 4.088 436 2HB GLU 54 2HB GLU 54 5.187 -5.952 4.382 437 1HG GLU 54 1HG GLU 54 7.120 -7.631 4.487 438 2HG GLU 54 2HG GLU 54 8.222 -6.270 4.426 439 H ARG 55 H ARG 55 6.836 -8.625 2.654 440 HA ARG 55 HA ARG 55 9.458 -8.655 2.784 441 1HB ARG 55 1HB ARG 55 7.614 -10.454 1.152 442 2HB ARG 55 2HB ARG 55 9.321 -10.816 1.313 443 1HG ARG 55 1HG ARG 55 7.545 -10.327 3.741 444 2HG ARG 55 2HG ARG 55 7.716 -11.917 3.024 445 1HD ARG 55 1HD ARG 55 10.304 -11.512 3.254 446 2HD ARG 55 2HD ARG 55 9.861 -10.219 4.351 447 HE ARG 55 HE ARG 55 9.358 -11.830 5.959 448 1HH1 ARG 55 1HH1 ARG 55 8.744 -15.255 5.696 449 2HH1 ARG 55 2HH1 ARG 55 8.961 -13.924 6.783 450 1HH2 ARG 55 1HH2 ARG 55 8.857 -14.912 3.404 451 2HH2 ARG 55 2HH2 ARG 55 9.158 -13.324 2.779 452 H LEU 56 H LEU 56 7.525 -7.802 -0.077 453 HA LEU 56 HA LEU 56 9.665 -6.507 -1.318 454 1HB LEU 56 1HB LEU 56 9.991 -9.163 -1.638 455 2HB LEU 56 2HB LEU 56 8.958 -8.830 -3.014 456 HG LEU 56 HG LEU 56 11.122 -6.890 -2.826 457 1HD1 LEU 56 1HD1 LEU 56 11.803 -9.793 -2.610 458 2HD1 LEU 56 2HD1 LEU 56 12.802 -8.750 -3.650 459 3HD1 LEU 56 3HD1 LEU 56 12.617 -8.367 -1.922 460 1HD2 LEU 56 1HD2 LEU 56 11.122 -8.695 -5.117 461 2HD2 LEU 56 2HD2 LEU 56 9.511 -8.018 -4.777 462 3HD2 LEU 56 3HD2 LEU 56 10.896 -6.931 -5.042 463 H ILE 57 H ILE 57 7.642 -5.151 -0.884 464 HA ILE 57 HA ILE 57 5.231 -5.454 -2.014 465 HB ILE 57 HB ILE 57 5.728 -3.591 -0.642 466 1HG1 ILE 57 1HG1 ILE 57 5.108 -2.499 -3.400 467 2HG1 ILE 57 2HG1 ILE 57 3.949 -3.352 -2.400 468 1HG2 ILE 57 1HG2 ILE 57 7.393 -2.245 -2.744 469 2HG2 ILE 57 2HG2 ILE 57 7.335 -1.972 -0.986 470 3HG2 ILE 57 3HG2 ILE 57 8.135 -3.423 -1.636 471 1HD1 ILE 57 1HD1 ILE 57 4.417 -0.615 -2.332 472 2HD1 ILE 57 2HD1 ILE 57 3.613 -1.548 -1.047 473 3HD1 ILE 57 3HD1 ILE 57 5.355 -1.201 -0.937 474 H ALA 58 H ALA 58 8.015 -3.844 -3.718 475 HA ALA 58 HA ALA 58 8.531 -3.713 -5.865 476 1HB ALA 58 1HB ALA 58 7.347 -6.360 -5.539 477 2HB ALA 58 2HB ALA 58 7.079 -5.727 -7.181 478 3HB ALA 58 3HB ALA 58 8.733 -5.853 -6.535 479 H HIS 59 H HIS 59 7.749 -2.822 -7.891 480 HA HIS 59 HA HIS 59 6.364 -1.705 -9.181 481 1HB HIS 59 1HB HIS 59 4.845 -3.854 -8.444 482 2HB HIS 59 2HB HIS 59 3.830 -2.533 -7.900 483 HD1 HIS 59 1HD HIS 59 3.899 -4.616 -10.626 484 HD2 HIS 59 2HD HIS 59 4.038 -0.433 -10.343 485 HE1 HIS 59 1HE HIS 59 3.117 -3.720 -12.884 486 H ARG 60 H ARG 60 4.326 -1.760 -6.181 487 HA ARG 60 HA ARG 60 3.779 -0.209 -4.775 488 1HB ARG 60 1HB ARG 60 6.375 0.296 -4.918 489 2HB ARG 60 2HB ARG 60 5.888 1.717 -5.821 490 1HG ARG 60 1HG ARG 60 5.070 2.776 -3.961 491 2HG ARG 60 2HG ARG 60 4.305 1.323 -3.348 492 1HD ARG 60 1HD ARG 60 6.112 0.766 -2.036 493 2HD ARG 60 2HD ARG 60 7.275 1.226 -3.264 494 HE ARG 60 HE ARG 60 6.079 3.623 -2.327 495 1HH1 ARG 60 1HH1 ARG 60 8.308 4.284 0.276 496 2HH1 ARG 60 2HH1 ARG 60 7.101 4.950 -0.773 497 1HH2 ARG 60 1HH2 ARG 60 8.886 2.043 0.102 498 2HH2 ARG 60 2HH2 ARG 60 8.112 1.037 -1.077 499 H LEU 61 H LEU 61 2.944 2.224 -4.673 500 HA LEU 61 HA LEU 61 1.653 3.812 -5.500 501 1HB LEU 61 1HB LEU 61 3.419 3.274 -7.852 502 2HB LEU 61 2HB LEU 61 2.031 4.326 -8.051 503 HG LEU 61 HG LEU 61 4.137 4.768 -5.924 504 1HD1 LEU 61 1HD1 LEU 61 5.123 6.456 -7.406 505 2HD1 LEU 61 2HD1 LEU 61 5.228 4.821 -8.101 506 3HD1 LEU 61 3HD1 LEU 61 4.008 5.968 -8.704 507 1HD2 LEU 61 1HD2 LEU 61 2.135 5.904 -5.360 508 2HD2 LEU 61 2HD2 LEU 61 3.230 7.123 -6.055 509 3HD2 LEU 61 3HD2 LEU 61 1.894 6.467 -7.032 510 H ALA 62 H ALA 62 -0.329 4.184 -6.821 511 HA ALA 62 HA ALA 62 -1.312 1.987 -8.366 512 1HB ALA 62 1HB ALA 62 -1.774 2.034 -5.513 513 2HB ALA 62 2HB ALA 62 -3.315 2.278 -6.371 514 3HB ALA 62 3HB ALA 62 -2.321 0.843 -6.717 515 H SER 63 H SER 63 -2.705 4.589 -6.237 516 HA SER 63 HA SER 63 -3.892 6.348 -6.689 517 1HB SER 63 1HB SER 63 -2.306 6.116 -9.240 518 2HB SER 63 2HB SER 63 -3.634 7.259 -9.204 519 HG SER 63 HG SER 63 -2.564 8.541 -7.823 520 H VAL 64 H VAL 64 -6.023 5.648 -6.509 521 HA VAL 64 HA VAL 64 -7.278 4.791 -9.020 522 HB VAL 64 HB VAL 64 -7.401 3.566 -6.284 523 1HG1 VAL 64 1HG1 VAL 64 -9.403 2.238 -7.467 524 2HG1 VAL 64 2HG1 VAL 64 -9.674 3.690 -6.474 525 3HG1 VAL 64 3HG1 VAL 64 -9.634 3.820 -8.249 526 1HG2 VAL 64 1HG2 VAL 64 -6.638 2.751 -9.024 527 2HG2 VAL 64 2HG2 VAL 64 -6.053 2.173 -7.445 528 3HG2 VAL 64 3HG2 VAL 64 -7.581 1.549 -8.111 529 H ASN 65 H ASN 65 -7.642 6.225 -5.724 530 HA ASN 65 HA ASN 65 -10.094 7.457 -6.643 531 1HB ASN 65 1HB ASN 65 -9.199 6.424 -4.135 532 2HB ASN 65 2HB ASN 65 -9.280 8.161 -3.913 533 1HD2 ASN 65 1HD2 ASN 65 -10.969 5.320 -3.818 534 2HD2 ASN 65 2HD2 ASN 65 -12.598 5.902 -3.890 535 H LEU 66 H LEU 66 -7.061 8.309 -4.792 536 HA LEU 66 HA LEU 66 -7.212 10.981 -4.733 537 1HB LEU 66 1HB LEU 66 -5.425 9.738 -3.726 538 2HB LEU 66 2HB LEU 66 -4.812 9.240 -5.291 539 HG LEU 66 HG LEU 66 -4.663 11.922 -5.597 540 1HD1 LEU 66 1HD1 LEU 66 -3.828 11.654 -2.727 541 2HD1 LEU 66 2HD1 LEU 66 -4.203 13.112 -3.676 542 3HD1 LEU 66 3HD1 LEU 66 -5.517 12.042 -3.133 543 1HD2 LEU 66 1HD2 LEU 66 -2.248 11.676 -4.851 544 2HD2 LEU 66 2HD2 LEU 66 -2.659 10.004 -4.400 545 3HD2 LEU 66 3HD2 LEU 66 -2.820 10.535 -6.091 546 H SER 67 H SER 67 -5.604 9.198 -7.467 547 HA SER 67 HA SER 67 -5.357 9.693 -9.565 548 1HB SER 67 1HB SER 67 -7.974 11.116 -9.025 549 2HB SER 67 2HB SER 67 -7.221 11.258 -10.601 550 HG SER 67 HG SER 67 -7.127 8.651 -10.024 551 H ARG 68 H ARG 68 -3.669 10.934 -10.287 552 HA ARG 68 HA ARG 68 -3.865 13.784 -9.822 553 1HB ARG 68 1HB ARG 68 -1.464 13.877 -9.140 554 2HB ARG 68 2HB ARG 68 -2.408 12.919 -8.017 555 1HG ARG 68 1HG ARG 68 -1.692 10.893 -9.594 556 2HG ARG 68 2HG ARG 68 -0.413 11.982 -10.091 557 1HD ARG 68 1HD ARG 68 -0.152 12.305 -7.419 558 2HD ARG 68 2HD ARG 68 -0.889 10.715 -7.398 559 HE ARG 68 HE ARG 68 1.119 9.828 -8.183 560 1HH1 ARG 68 1HH1 ARG 68 3.887 11.338 -9.680 561 2HH1 ARG 68 2HH1 ARG 68 3.237 9.865 -9.041 562 1HH2 ARG 68 1HH2 ARG 68 2.607 13.274 -9.665 563 2HH2 ARG 68 2HH2 ARG 68 1.001 13.246 -9.015 564 H LEU 69 H LEU 69 -1.955 14.923 -11.149 565 HA LEU 69 HA LEU 69 -0.943 15.293 -13.078 566 1HB LEU 69 1HB LEU 69 -0.232 12.725 -12.495 567 2HB LEU 69 2HB LEU 69 -0.955 12.525 -14.079 568 HG LEU 69 HG LEU 69 1.454 12.831 -14.241 569 1HD1 LEU 69 1HD1 LEU 69 0.071 13.619 -16.087 570 2HD1 LEU 69 2HD1 LEU 69 -0.077 15.216 -15.316 571 3HD1 LEU 69 3HD1 LEU 69 1.510 14.647 -15.888 572 1HD2 LEU 69 1HD2 LEU 69 2.026 15.465 -13.727 573 2HD2 LEU 69 2HD2 LEU 69 0.933 15.045 -12.387 574 3HD2 LEU 69 3HD2 LEU 69 2.411 14.092 -12.662 575 HA PRO 70 HA PRO 70 -4.920 15.198 -15.139 576 1HB PRO 70 1HB PRO 70 -5.149 17.894 -15.528 577 2HB PRO 70 2HB PRO 70 -5.814 17.067 -14.133 578 1HG PRO 70 1HG PRO 70 -3.406 18.774 -14.302 579 2HG PRO 70 2HG PRO 70 -4.316 18.297 -12.882 580 1HD PRO 70 1HD PRO 70 -1.798 17.229 -13.745 581 2HD PRO 70 2HD PRO 70 -2.763 16.673 -12.393 582 H TYR 71 H TYR 71 -5.495 16.913 -17.224 583 HA TYR 71 HA TYR 71 -3.234 16.280 -19.000 584 1HB TYR 71 1HB TYR 71 -5.304 16.323 -20.684 585 2HB TYR 71 2HB TYR 71 -5.093 14.910 -19.669 586 HD1 TYR 71 1HD TYR 71 -7.131 14.069 -18.966 587 HD2 TYR 71 2HD TYR 71 -6.594 18.312 -19.099 588 HE1 TYR 71 1HE TYR 71 -9.471 14.402 -18.027 589 HE2 TYR 71 2HE TYR 71 -8.935 18.630 -18.160 590 HH TYR 71 HH TYR 71 -11.039 15.836 -17.578 591 H GLU 72 H GLU 72 -3.250 18.707 -17.544 592 HA GLU 72 HA GLU 72 -4.551 20.815 -18.513 593 1HB GLU 72 1HB GLU 72 -2.568 22.176 -17.901 594 2HB GLU 72 2HB GLU 72 -2.903 20.949 -16.696 595 1HG GLU 72 1HG GLU 72 -1.206 19.478 -18.114 596 2HG GLU 72 2HG GLU 72 -0.677 21.022 -18.751 597 HA PRO 73 HA PRO 73 -3.342 21.465 -22.628 598 1HB PRO 73 1HB PRO 73 -3.567 24.174 -22.904 599 2HB PRO 73 2HB PRO 73 -4.943 23.090 -22.942 600 1HG PRO 73 1HG PRO 73 -4.070 24.902 -20.776 601 2HG PRO 73 2HG PRO 73 -5.633 24.147 -21.012 602 1HD PRO 73 1HD PRO 73 -3.610 23.355 -19.140 603 2HD PRO 73 2HD PRO 73 -5.124 22.532 -19.457 604 H LYS 74 H LYS 74 -1.715 23.598 -20.366 605 HA LYS 74 HA LYS 74 0.383 24.271 -20.255 606 1HB LYS 74 1HB LYS 74 0.630 21.678 -20.524 607 2HB LYS 74 2HB LYS 74 1.272 22.073 -22.105 608 1HG LYS 74 1HG LYS 74 3.250 22.206 -20.920 609 2HG LYS 74 2HG LYS 74 2.709 23.854 -20.670 610 1HD LYS 74 1HD LYS 74 2.797 23.463 -18.437 611 2HD LYS 74 2HD LYS 74 1.411 22.408 -18.628 612 1HE LYS 74 2HE LYS 74 3.149 21.124 -17.524 613 2HE LYS 74 3HE LYS 74 2.997 20.499 -19.154 614 1HZ LYS 74 1HZ LYS 74 4.834 22.612 -19.111 615 2HZ LYS 74 2HZ LYS 74 5.251 21.514 -17.976 616 3HZ LYS 74 3HZ LYS 74 5.078 21.054 -19.534 617 H LEU 75 H LEU 75 2.015 25.538 -21.381 618 HA LEU 75 HA LEU 75 2.722 26.919 -22.953 619 1HB LEU 75 1HB LEU 75 2.920 24.831 -24.276 620 2HB LEU 75 2HB LEU 75 1.314 25.110 -24.921 621 HG LEU 75 HG LEU 75 2.416 27.455 -25.607 622 1HD1 LEU 75 1HD1 LEU 75 4.699 27.353 -26.165 623 2HD1 LEU 75 2HD1 LEU 75 4.592 26.714 -24.506 624 3HD1 LEU 75 3HD1 LEU 75 4.780 25.597 -25.879 625 1HD2 LEU 75 1HD2 LEU 75 1.582 25.165 -26.912 626 2HD2 LEU 75 2HD2 LEU 75 2.031 26.710 -27.673 627 3HD2 LEU 75 3HD2 LEU 75 3.236 25.409 -27.523 628 H LYS 76 H LYS 76 0.974 28.150 -21.590 629 HA LYS 76 HA LYS 76 -0.817 29.473 -21.479 630 1HB LYS 76 1HB LYS 76 -0.770 31.274 -23.045 631 2HB LYS 76 2HB LYS 76 0.883 30.756 -22.783 632 1HG LYS 76 1HG LYS 76 1.064 29.764 -24.910 633 2HG LYS 76 2HG LYS 76 -0.662 29.500 -25.055 634 1HD LYS 76 1HD LYS 76 -1.083 31.667 -25.789 635 2HD LYS 76 2HD LYS 76 0.231 32.359 -24.859 636 1HE LYS 76 2HE LYS 76 1.211 32.511 -26.946 637 2HE LYS 76 3HE LYS 76 1.718 30.878 -26.566 638 1HZ LYS 76 1HZ LYS 76 0.686 30.994 -28.715 639 2HZ LYS 76 2HZ LYS 76 -0.228 30.070 -27.726 640 3HZ LYS 76 3HZ LYS 76 -0.695 31.594 -28.083 Start of MODEL 2 1 H MET 1 H MET 1 31.463 -10.873 8.136 2 HA MET 1 HA MET 1 32.474 -10.059 6.349 3 1HB MET 1 1HB MET 1 34.361 -12.283 7.292 4 2HB MET 1 2HB MET 1 34.861 -11.058 6.142 5 1HG MET 1 1HG MET 1 34.463 -9.267 7.770 6 2HG MET 1 2HG MET 1 33.719 -10.386 8.896 7 1HE MET 1 1HE MET 1 36.513 -10.736 11.162 8 2HE MET 1 2HE MET 1 34.854 -10.198 10.802 9 3HE MET 1 3HE MET 1 35.279 -11.922 10.673 10 H LEU 2 H LEU 2 32.703 -13.680 6.202 11 HA LEU 2 HA LEU 2 33.056 -13.717 3.396 12 1HB LEU 2 1HB LEU 2 33.245 -15.507 5.522 13 2HB LEU 2 2HB LEU 2 31.927 -16.132 4.549 14 HG LEU 2 HG LEU 2 34.057 -17.146 3.931 15 1HD1 LEU 2 1HD1 LEU 2 32.979 -15.321 1.764 16 2HD1 LEU 2 2HD1 LEU 2 33.964 -16.782 1.511 17 3HD1 LEU 2 3HD1 LEU 2 32.335 -16.918 2.216 18 1HD2 LEU 2 1HD2 LEU 2 35.245 -14.850 2.587 19 2HD2 LEU 2 2HD2 LEU 2 35.134 -14.624 4.350 20 3HD2 LEU 2 3HD2 LEU 2 35.976 -16.046 3.686 21 H LYS 3 H LYS 3 30.236 -14.827 5.408 22 HA LYS 3 HA LYS 3 28.399 -13.391 3.801 23 1HB LYS 3 1HB LYS 3 29.208 -15.960 2.807 24 2HB LYS 3 2HB LYS 3 27.542 -16.069 3.341 25 1HG LYS 3 1HG LYS 3 28.590 -13.845 1.529 26 2HG LYS 3 2HG LYS 3 27.842 -15.310 0.926 27 1HD LYS 3 1HD LYS 3 25.722 -14.778 1.941 28 2HD LYS 3 2HD LYS 3 26.429 -13.538 2.958 29 1HE LYS 3 2HE LYS 3 27.078 -12.809 0.271 30 2HE LYS 3 3HE LYS 3 25.397 -13.303 0.242 31 1HZ LYS 3 1HZ LYS 3 26.619 -11.217 1.892 32 2HZ LYS 3 2HZ LYS 3 25.392 -11.074 0.825 33 3HZ LYS 3 3HZ LYS 3 25.150 -11.834 2.249 34 H ASN 4 H ASN 4 26.084 -14.919 4.299 35 HA ASN 4 HA ASN 4 24.654 -15.454 5.844 36 1HB ASN 4 1HB ASN 4 27.023 -16.683 6.788 37 2HB ASN 4 2HB ASN 4 26.418 -15.815 8.185 38 1HD2 ASN 4 1HD2 ASN 4 25.076 -16.865 9.420 39 2HD2 ASN 4 2HD2 ASN 4 24.001 -18.144 8.962 40 H LEU 5 H LEU 5 23.843 -13.256 5.988 41 HA LEU 5 HA LEU 5 23.927 -12.072 8.487 42 1HB LEU 5 1HB LEU 5 26.310 -11.594 7.306 43 2HB LEU 5 2HB LEU 5 25.398 -10.226 6.701 44 HG LEU 5 HG LEU 5 24.736 -9.907 9.230 45 1HD1 LEU 5 1HD1 LEU 5 27.102 -10.558 10.418 46 2HD1 LEU 5 2HD1 LEU 5 25.604 -11.513 10.534 47 3HD1 LEU 5 3HD1 LEU 5 26.851 -11.954 9.343 48 1HD2 LEU 5 1HD2 LEU 5 27.562 -9.192 8.451 49 2HD2 LEU 5 2HD2 LEU 5 26.145 -8.437 7.682 50 3HD2 LEU 5 3HD2 LEU 5 26.401 -8.269 9.435 51 H ALA 6 H ALA 6 22.796 -9.861 8.426 52 HA ALA 6 HA ALA 6 21.211 -8.502 7.660 53 1HB ALA 6 1HB ALA 6 20.952 -8.089 5.361 54 2HB ALA 6 2HB ALA 6 22.624 -8.690 5.476 55 3HB ALA 6 3HB ALA 6 21.325 -9.773 4.918 56 H LYS 7 H LYS 7 19.425 -9.141 8.792 57 HA LYS 7 HA LYS 7 18.213 -11.681 8.248 58 1HB LYS 7 1HB LYS 7 18.220 -9.735 10.366 59 2HB LYS 7 2HB LYS 7 16.562 -10.071 9.912 60 1HG LYS 7 1HG LYS 7 16.806 -11.881 11.300 61 2HG LYS 7 2HG LYS 7 17.552 -12.620 9.898 62 1HD LYS 7 1HD LYS 7 19.100 -12.971 11.691 63 2HD LYS 7 2HD LYS 7 19.796 -11.680 10.730 64 1HE LYS 7 2HE LYS 7 19.993 -10.720 12.837 65 2HE LYS 7 3HE LYS 7 18.406 -10.115 12.402 66 1HZ LYS 7 1HZ LYS 7 17.635 -12.310 13.472 67 2HZ LYS 7 2HZ LYS 7 19.087 -12.278 14.220 68 3HZ LYS 7 3HZ LYS 7 18.034 -11.047 14.427 69 H LEU 8 H LEU 8 17.568 -8.214 7.561 70 HA LEU 8 HA LEU 8 16.161 -7.227 6.178 71 1HB LEU 8 1HB LEU 8 16.959 -9.656 4.862 72 2HB LEU 8 2HB LEU 8 15.310 -9.263 4.418 73 HG LEU 8 HG LEU 8 16.861 -8.328 2.814 74 1HD1 LEU 8 1HD1 LEU 8 14.964 -7.008 2.901 75 2HD1 LEU 8 2HD1 LEU 8 15.320 -6.414 4.541 76 3HD1 LEU 8 3HD1 LEU 8 16.265 -5.819 3.155 77 1HD2 LEU 8 1HD2 LEU 8 18.904 -7.839 3.597 78 2HD2 LEU 8 2HD2 LEU 8 18.207 -6.240 3.952 79 3HD2 LEU 8 3HD2 LEU 8 18.303 -7.473 5.231 80 H ASP 9 H ASP 9 14.756 -7.055 8.114 81 HA ASP 9 HA ASP 9 12.176 -7.965 7.442 82 1HB ASP 9 1HB ASP 9 13.288 -8.946 10.107 83 2HB ASP 9 2HB ASP 9 11.711 -9.301 9.429 84 H GLN 10 H GLN 10 13.103 -5.396 7.637 85 HA GLN 10 HA GLN 10 12.183 -4.545 10.273 86 1HB GLN 10 1HB GLN 10 14.677 -4.157 9.642 87 2HB GLN 10 2HB GLN 10 14.086 -2.941 8.529 88 1HG GLN 10 1HG GLN 10 12.698 -2.257 10.815 89 2HG GLN 10 2HG GLN 10 14.173 -2.900 11.511 90 1HE2 GLN 10 1HE2 GLN 10 13.730 -0.359 11.970 91 2HE2 GLN 10 2HE2 GLN 10 14.734 0.695 11.031 92 H THR 11 H THR 11 11.406 -4.779 7.025 93 HA THR 11 HA THR 11 10.429 -2.223 6.414 94 HB THR 11 HB THR 11 9.886 -5.069 5.475 95 HG1 THR 11 1HG THR 11 11.049 -4.080 3.659 96 1HG2 THR 11 1HG2 THR 11 8.931 -2.656 3.925 97 2HG2 THR 11 2HG2 THR 11 8.362 -4.340 3.843 98 3HG2 THR 11 3HG2 THR 11 7.872 -3.300 5.202 99 H GLU 12 H GLU 12 9.030 -4.954 8.250 100 HA GLU 12 HA GLU 12 6.447 -3.901 8.289 101 1HB GLU 12 1HB GLU 12 7.317 -6.294 8.873 102 2HB GLU 12 2HB GLU 12 7.616 -5.650 10.475 103 1HG GLU 12 1HG GLU 12 5.157 -4.823 10.441 104 2HG GLU 12 2HG GLU 12 4.946 -5.826 9.019 105 H MET 13 H MET 13 9.393 -3.191 10.095 106 HA MET 13 HA MET 13 8.246 -2.124 12.373 107 1HB MET 13 1HB MET 13 10.806 -2.548 11.385 108 2HB MET 13 2HB MET 13 10.709 -0.801 11.283 109 1HG MET 13 1HG MET 13 10.183 -0.621 13.672 110 2HG MET 13 2HG MET 13 10.018 -2.359 13.818 111 1HE MET 13 1HE MET 13 13.298 -0.267 15.231 112 2HE MET 13 2HE MET 13 11.521 -0.241 15.318 113 3HE MET 13 3HE MET 13 12.425 -1.617 15.994 114 H ASP 14 H ASP 14 8.880 -0.729 9.129 115 HA ASP 14 HA ASP 14 8.245 1.896 9.985 116 1HB ASP 14 1HB ASP 14 9.725 1.143 7.981 117 2HB ASP 14 2HB ASP 14 8.225 0.847 7.126 118 H LYS 15 H LYS 15 6.570 -0.969 8.764 119 HA LYS 15 HA LYS 15 4.244 0.469 7.885 120 1HB LYS 15 1HB LYS 15 5.223 -2.325 7.864 121 2HB LYS 15 2HB LYS 15 3.486 -2.146 8.015 122 1HG LYS 15 1HG LYS 15 4.293 -2.261 5.621 123 2HG LYS 15 2HG LYS 15 3.353 -0.826 5.979 124 1HD LYS 15 1HD LYS 15 6.312 -0.594 6.403 125 2HD LYS 15 2HD LYS 15 5.787 -0.759 4.739 126 1HE LYS 15 2HE LYS 15 4.014 1.126 5.987 127 2HE LYS 15 3HE LYS 15 5.641 1.573 6.457 128 1HZ LYS 15 1HZ LYS 15 6.077 1.158 3.945 129 2HZ LYS 15 2HZ LYS 15 4.479 1.463 3.804 130 3HZ LYS 15 3HZ LYS 15 5.471 2.584 4.458 131 H VAL 16 H VAL 16 5.344 -1.367 10.765 132 HA VAL 16 HA VAL 16 2.868 -1.492 12.042 133 HB VAL 16 HB VAL 16 5.525 -2.246 12.510 134 1HG1 VAL 16 1HG1 VAL 16 5.966 -1.588 14.811 135 2HG1 VAL 16 2HG1 VAL 16 5.822 -0.142 13.784 136 3HG1 VAL 16 3HG1 VAL 16 4.475 -0.615 14.848 137 1HG2 VAL 16 1HG2 VAL 16 4.239 -3.944 13.190 138 2HG2 VAL 16 2HG2 VAL 16 4.052 -3.076 14.733 139 3HG2 VAL 16 3HG2 VAL 16 2.839 -2.875 13.447 140 H ASN 17 H ASN 17 4.855 1.199 11.229 141 HA ASN 17 HA ASN 17 4.044 2.763 13.475 142 1HB ASN 17 1HB ASN 17 6.195 3.348 12.596 143 2HB ASN 17 2HB ASN 17 5.640 3.275 10.936 144 1HD2 ASN 17 1HD2 ASN 17 4.051 4.868 10.232 145 2HD2 ASN 17 2HD2 ASN 17 4.106 6.478 10.871 146 H VAL 18 H VAL 18 3.708 3.044 9.847 147 HA VAL 18 HA VAL 18 1.633 4.935 9.983 148 HB VAL 18 HB VAL 18 2.541 3.060 7.791 149 1HG1 VAL 18 1HG1 VAL 18 0.757 5.511 7.595 150 2HG1 VAL 18 2HG1 VAL 18 1.367 4.542 6.232 151 3HG1 VAL 18 3HG1 VAL 18 0.233 3.821 7.399 152 1HG2 VAL 18 1HG2 VAL 18 4.362 4.436 8.181 153 2HG2 VAL 18 2HG2 VAL 18 3.471 5.364 6.951 154 3HG2 VAL 18 3HG2 VAL 18 3.353 5.818 8.668 155 H ASP 19 H ASP 19 1.716 1.603 10.739 156 HA ASP 19 HA ASP 19 -0.483 0.507 9.736 157 1HB ASP 19 1HB ASP 19 -0.528 -0.919 11.647 158 2HB ASP 19 2HB ASP 19 1.141 -0.405 11.512 159 H LEU 20 H LEU 20 -0.261 2.832 12.510 160 HA LEU 20 HA LEU 20 -2.932 2.784 13.259 161 1HB LEU 20 1HB LEU 20 -0.789 3.844 14.317 162 2HB LEU 20 2HB LEU 20 -1.262 5.266 13.408 163 HG LEU 20 HG LEU 20 -3.064 3.851 15.390 164 1HD1 LEU 20 1HD1 LEU 20 -2.497 6.139 16.646 165 2HD1 LEU 20 2HD1 LEU 20 -1.543 4.653 16.871 166 3HD1 LEU 20 3HD1 LEU 20 -0.964 5.925 15.768 167 1HD2 LEU 20 1HD2 LEU 20 -4.429 5.040 13.893 168 2HD2 LEU 20 2HD2 LEU 20 -4.250 6.109 15.305 169 3HD2 LEU 20 3HD2 LEU 20 -3.308 6.421 13.828 170 H ALA 21 H ALA 21 -1.208 4.605 10.687 171 HA ALA 21 HA ALA 21 -2.989 6.480 9.982 172 1HB ALA 21 1HB ALA 21 -0.754 5.743 8.906 173 2HB ALA 21 2HB ALA 21 -1.746 4.647 7.914 174 3HB ALA 21 3HB ALA 21 -2.009 6.406 7.831 175 H ALA 22 H ALA 22 -3.138 2.985 9.007 176 HA ALA 22 HA ALA 22 -4.817 1.729 8.300 177 1HB ALA 22 1HB ALA 22 -6.769 1.822 9.543 178 2HB ALA 22 2HB ALA 22 -5.698 2.811 10.563 179 3HB ALA 22 3HB ALA 22 -6.861 3.598 9.469 180 H ALA 23 H ALA 23 -7.581 2.694 7.609 181 HA ALA 23 HA ALA 23 -8.686 3.487 5.864 182 1HB ALA 23 1HB ALA 23 -8.240 5.712 6.168 183 2HB ALA 23 2HB ALA 23 -6.477 5.465 6.196 184 3HB ALA 23 3HB ALA 23 -7.347 5.497 4.643 185 H GLY 24 H GLY 24 -8.972 2.423 3.965 186 1HA GLY 24 1HA GLY 24 -6.799 2.166 2.080 187 2HA GLY 24 2HA GLY 24 -7.244 0.662 2.863 188 H VAL 25 H VAL 25 -9.137 3.539 1.676 189 HA VAL 25 HA VAL 25 -10.747 1.631 0.121 190 HB VAL 25 HB VAL 25 -11.968 4.196 0.885 191 1HG1 VAL 25 1HG1 VAL 25 -13.818 3.026 0.444 192 2HG1 VAL 25 2HG1 VAL 25 -12.779 1.652 -0.006 193 3HG1 VAL 25 3HG1 VAL 25 -13.394 1.796 1.658 194 1HG2 VAL 25 1HG2 VAL 25 -11.489 2.098 3.028 195 2HG2 VAL 25 2HG2 VAL 25 -10.659 3.671 2.935 196 3HG2 VAL 25 3HG2 VAL 25 -12.419 3.607 3.193 197 H ALA 26 H ALA 26 -9.127 4.816 0.333 198 HA ALA 26 HA ALA 26 -9.912 6.106 -1.864 199 1HB ALA 26 1HB ALA 26 -6.957 5.849 -1.585 200 2HB ALA 26 2HB ALA 26 -7.983 7.303 -1.600 201 3HB ALA 26 3HB ALA 26 -7.845 6.328 -0.118 202 H PHE 27 H PHE 27 -8.012 3.083 -1.750 203 HA PHE 27 HA PHE 27 -8.619 2.676 -4.537 204 1HB PHE 27 1HB PHE 27 -5.955 2.003 -4.562 205 2HB PHE 27 2HB PHE 27 -6.519 3.589 -5.047 206 HD1 PHE 27 1HD PHE 27 -5.972 1.975 -1.717 207 HD2 PHE 27 2HD PHE 27 -5.081 5.221 -4.302 208 HE1 PHE 27 1HE PHE 27 -4.572 3.024 0.082 209 HE2 PHE 27 2HE PHE 27 -3.681 6.269 -2.502 210 HZ PHE 27 HZ PHE 27 -3.443 5.159 -0.331 211 H LYS 28 H LYS 28 -9.938 1.104 -3.126 212 HA LYS 28 HA LYS 28 -8.430 -1.368 -3.000 213 1HB LYS 28 1HB LYS 28 -8.333 -0.234 -0.717 214 2HB LYS 28 2HB LYS 28 -10.063 -0.493 -0.609 215 1HG LYS 28 1HG LYS 28 -8.872 -2.353 0.481 216 2HG LYS 28 2HG LYS 28 -9.730 -2.944 -0.929 217 1HD LYS 28 1HD LYS 28 -6.919 -2.024 -1.406 218 2HD LYS 28 2HD LYS 28 -7.093 -3.473 -0.437 219 1HE LYS 28 2HE LYS 28 -8.761 -3.336 -2.929 220 2HE LYS 28 3HE LYS 28 -7.033 -3.506 -3.161 221 1HZ LYS 28 1HZ LYS 28 -7.383 -5.311 -1.320 222 2HZ LYS 28 2HZ LYS 28 -8.893 -5.346 -1.938 223 3HZ LYS 28 3HZ LYS 28 -7.610 -5.651 -2.901 224 H GLU 29 H GLU 29 -10.648 0.137 -4.567 225 HA GLU 29 HA GLU 29 -12.959 -1.411 -3.977 226 1HB GLU 29 1HB GLU 29 -13.545 -0.301 -6.379 227 2HB GLU 29 2HB GLU 29 -13.682 0.574 -4.867 228 1HG GLU 29 1HG GLU 29 -11.013 0.553 -6.288 229 2HG GLU 29 2HG GLU 29 -12.288 1.577 -6.918 230 H ARG 30 H ARG 30 -10.059 -2.282 -5.264 231 HA ARG 30 HA ARG 30 -10.473 -3.390 -7.666 232 1HB ARG 30 1HB ARG 30 -8.768 -4.069 -5.295 233 2HB ARG 30 2HB ARG 30 -8.922 -5.335 -6.496 234 1HG ARG 30 1HG ARG 30 -8.426 -2.643 -7.653 235 2HG ARG 30 2HG ARG 30 -7.128 -3.220 -6.628 236 1HD ARG 30 1HD ARG 30 -6.444 -4.707 -8.209 237 2HD ARG 30 2HD ARG 30 -8.053 -5.390 -8.346 238 HE ARG 30 HE ARG 30 -6.870 -3.337 -10.074 239 1HH1 ARG 30 1HH1 ARG 30 -9.758 -3.053 -12.012 240 2HH1 ARG 30 2HH1 ARG 30 -8.075 -2.661 -11.894 241 1HH2 ARG 30 1HH2 ARG 30 -10.788 -4.267 -10.323 242 2HH2 ARG 30 2HH2 ARG 30 -9.874 -4.779 -8.944 243 H TYR 31 H TYR 31 -11.604 -4.536 -4.473 244 HA TYR 31 HA TYR 31 -12.690 -6.955 -5.705 245 1HB TYR 31 1HB TYR 31 -12.743 -7.718 -3.411 246 2HB TYR 31 2HB TYR 31 -11.296 -6.730 -3.465 247 HD1 TYR 31 1HD TYR 31 -11.232 -4.524 -2.376 248 HD2 TYR 31 2HD TYR 31 -14.724 -6.988 -2.188 249 HE1 TYR 31 1HE TYR 31 -12.141 -3.102 -0.475 250 HE2 TYR 31 2HE TYR 31 -15.621 -5.558 -0.286 251 HH TYR 31 HH TYR 31 -15.241 -3.061 0.420 252 H ASN 32 H ASN 32 -13.766 -4.176 -6.211 253 HA ASN 32 HA ASN 32 -15.681 -3.173 -6.368 254 1HB ASN 32 1HB ASN 32 -16.597 -5.229 -7.297 255 2HB ASN 32 2HB ASN 32 -16.723 -5.970 -5.714 256 1HD2 ASN 32 1HD2 ASN 32 -17.754 -3.024 -7.433 257 2HD2 ASN 32 2HD2 ASN 32 -19.375 -2.971 -6.824 258 H MET 33 H MET 33 -14.678 -2.267 -4.155 259 HA MET 33 HA MET 33 -16.052 -3.097 -1.810 260 1HB MET 33 1HB MET 33 -14.640 -1.444 -0.711 261 2HB MET 33 2HB MET 33 -13.653 -2.177 -1.959 262 1HG MET 33 1HG MET 33 -13.229 -0.014 -2.593 263 2HG MET 33 2HG MET 33 -14.789 -0.111 -3.385 264 1HE MET 33 1HE MET 33 -15.083 2.031 -3.524 265 2HE MET 33 2HE MET 33 -16.581 2.262 -2.592 266 3HE MET 33 3HE MET 33 -15.163 3.286 -2.264 267 HA PRO 34 HA PRO 34 -19.389 -0.332 -2.259 268 1HB PRO 34 1HB PRO 34 -20.541 -0.653 0.198 269 2HB PRO 34 2HB PRO 34 -20.809 -1.756 -1.137 270 1HG PRO 34 1HG PRO 34 -19.138 -2.134 1.272 271 2HG PRO 34 2HG PRO 34 -19.753 -3.343 0.161 272 1HD PRO 34 1HD PRO 34 -17.072 -2.329 0.282 273 2HD PRO 34 2HD PRO 34 -17.717 -3.451 -0.900 274 H VAL 35 H VAL 35 -20.561 1.523 -0.997 275 HA VAL 35 HA VAL 35 -18.510 3.424 -0.571 276 HB VAL 35 HB VAL 35 -20.714 3.907 -1.550 277 1HG1 VAL 35 1HG1 VAL 35 -21.938 2.365 0.102 278 2HG1 VAL 35 2HG1 VAL 35 -21.893 3.742 1.229 279 3HG1 VAL 35 3HG1 VAL 35 -22.731 3.898 -0.334 280 1HG2 VAL 35 1HG2 VAL 35 -19.685 5.859 -0.854 281 2HG2 VAL 35 2HG2 VAL 35 -21.216 5.930 0.051 282 3HG2 VAL 35 3HG2 VAL 35 -19.727 5.398 0.865 283 H ILE 36 H ILE 36 -17.618 1.594 1.102 284 HA ILE 36 HA ILE 36 -18.165 2.779 3.695 285 HB ILE 36 HB ILE 36 -18.657 -0.095 2.990 286 1HG1 ILE 36 1HG1 ILE 36 -20.199 1.825 4.755 287 2HG1 ILE 36 2HG1 ILE 36 -20.512 1.605 3.046 288 1HG2 ILE 36 1HG2 ILE 36 -16.954 0.034 4.834 289 2HG2 ILE 36 2HG2 ILE 36 -18.173 0.890 5.809 290 3HG2 ILE 36 3HG2 ILE 36 -18.480 -0.777 5.263 291 1HD1 ILE 36 1HD1 ILE 36 -21.995 0.035 3.869 292 2HD1 ILE 36 2HD1 ILE 36 -20.548 -0.999 3.782 293 3HD1 ILE 36 3HD1 ILE 36 -21.027 -0.266 5.332 294 H ALA 37 H ALA 37 -16.446 2.149 5.304 295 HA ALA 37 HA ALA 37 -13.928 1.779 3.848 296 1HB ALA 37 1HB ALA 37 -12.908 3.090 5.534 297 2HB ALA 37 2HB ALA 37 -14.466 3.896 5.232 298 3HB ALA 37 3HB ALA 37 -14.266 2.855 6.661 299 H GLU 38 H GLU 38 -16.046 0.549 6.432 300 HA GLU 38 HA GLU 38 -14.153 -1.111 7.617 301 1HB GLU 38 1HB GLU 38 -16.538 -0.367 8.415 302 2HB GLU 38 2HB GLU 38 -17.117 -1.747 7.503 303 1HG GLU 38 1HG GLU 38 -15.974 -3.308 8.876 304 2HG GLU 38 2HG GLU 38 -14.835 -2.112 9.462 305 H ALA 39 H ALA 39 -16.607 -1.671 5.012 306 HA ALA 39 HA ALA 39 -16.135 -4.387 4.682 307 1HB ALA 39 1HB ALA 39 -17.014 -2.235 2.716 308 2HB ALA 39 2HB ALA 39 -17.128 -3.985 2.417 309 3HB ALA 39 3HB ALA 39 -18.065 -3.244 3.736 310 H VAL 40 H VAL 40 -14.178 -1.586 3.921 311 HA VAL 40 HA VAL 40 -12.680 -2.847 1.845 312 HB VAL 40 HB VAL 40 -12.829 -0.276 3.213 313 1HG1 VAL 40 1HG1 VAL 40 -10.591 -0.967 4.017 314 2HG1 VAL 40 2HG1 VAL 40 -10.081 -1.226 2.331 315 3HG1 VAL 40 3HG1 VAL 40 -10.513 0.408 2.889 316 1HG2 VAL 40 1HG2 VAL 40 -13.438 -0.066 1.032 317 2HG2 VAL 40 2HG2 VAL 40 -11.696 0.244 0.826 318 3HG2 VAL 40 3HG2 VAL 40 -12.361 -1.373 0.487 319 H GLU 41 H GLU 41 -12.548 -2.611 5.396 320 HA GLU 41 HA GLU 41 -9.915 -3.772 5.406 321 1HB GLU 41 1HB GLU 41 -11.622 -2.318 7.299 322 2HB GLU 41 2HB GLU 41 -10.902 -3.730 8.045 323 1HG GLU 41 1HG GLU 41 -8.702 -2.959 7.724 324 2HG GLU 41 2HG GLU 41 -9.135 -1.964 6.348 325 H ARG 42 H ARG 42 -13.332 -4.637 6.060 326 HA ARG 42 HA ARG 42 -12.754 -7.094 7.237 327 1HB ARG 42 1HB ARG 42 -15.071 -7.370 7.306 328 2HB ARG 42 2HB ARG 42 -14.999 -5.638 7.054 329 1HG ARG 42 1HG ARG 42 -15.128 -6.091 4.535 330 2HG ARG 42 2HG ARG 42 -15.429 -7.774 4.918 331 1HD ARG 42 1HD ARG 42 -17.147 -5.738 6.318 332 2HD ARG 42 2HD ARG 42 -17.431 -5.967 4.605 333 HE ARG 42 HE ARG 42 -17.309 -8.561 5.618 334 1HH1 ARG 42 1HH1 ARG 42 -20.555 -8.925 6.849 335 2HH1 ARG 42 2HH1 ARG 42 -19.130 -9.754 6.315 336 1HH2 ARG 42 1HH2 ARG 42 -20.614 -6.605 6.856 337 2HH2 ARG 42 2HH2 ARG 42 -19.233 -5.702 6.327 338 H GLU 43 H GLU 43 -13.212 -5.974 3.866 339 HA GLU 43 HA GLU 43 -13.261 -8.650 2.869 340 1HB GLU 43 1HB GLU 43 -13.181 -5.927 1.506 341 2HB GLU 43 2HB GLU 43 -13.209 -7.437 0.616 342 1HG GLU 43 1HG GLU 43 -15.283 -7.438 2.680 343 2HG GLU 43 2HG GLU 43 -15.439 -6.020 1.662 344 H GLN 44 H GLN 44 -11.147 -5.822 1.990 345 HA GLN 44 HA GLN 44 -8.833 -7.428 2.497 346 1HB GLN 44 1HB GLN 44 -9.913 -7.499 -0.084 347 2HB GLN 44 2HB GLN 44 -8.656 -6.284 -0.215 348 1HG GLN 44 1HG GLN 44 -6.942 -7.795 0.223 349 2HG GLN 44 2HG GLN 44 -7.933 -8.790 1.270 350 1HE2 GLN 44 1HE2 GLN 44 -8.005 -10.745 0.468 351 2HE2 GLN 44 2HE2 GLN 44 -8.332 -11.195 -1.172 352 HA PRO 45 HA PRO 45 -7.884 -3.230 3.461 353 1HB PRO 45 1HB PRO 45 -5.813 -3.752 5.165 354 2HB PRO 45 2HB PRO 45 -7.486 -3.695 5.681 355 1HG PRO 45 1HG PRO 45 -5.753 -6.054 5.267 356 2HG PRO 45 2HG PRO 45 -7.252 -5.937 6.169 357 1HD PRO 45 1HD PRO 45 -6.901 -7.083 3.561 358 2HD PRO 45 2HD PRO 45 -8.417 -6.861 4.414 359 H GLU 46 H GLU 46 -6.740 -1.715 2.403 360 HA GLU 46 HA GLU 46 -5.097 -2.571 0.377 361 1HB GLU 46 1HB GLU 46 -6.156 -0.387 0.314 362 2HB GLU 46 2HB GLU 46 -5.330 0.125 1.772 363 1HG GLU 46 1HG GLU 46 -3.979 1.117 0.141 364 2HG GLU 46 2HG GLU 46 -3.125 -0.393 0.391 365 H HIS 47 H HIS 47 -4.062 -0.750 3.361 366 HA HIS 47 HA HIS 47 -1.432 -0.862 3.144 367 1HB HIS 47 1HB HIS 47 -1.277 -0.732 5.507 368 2HB HIS 47 2HB HIS 47 -2.773 0.056 5.046 369 HD1 HIS 47 1HD HIS 47 -5.032 -1.430 5.416 370 HD2 HIS 47 2HD HIS 47 -1.556 -2.771 7.343 371 HE1 HIS 47 1HE HIS 47 -5.800 -3.054 7.228 372 H LEU 48 H LEU 48 -3.417 -3.594 4.486 373 HA LEU 48 HA LEU 48 -1.533 -5.387 5.075 374 1HB LEU 48 1HB LEU 48 -4.296 -5.442 4.249 375 2HB LEU 48 2HB LEU 48 -3.452 -6.846 3.625 376 HG LEU 48 HG LEU 48 -4.393 -7.472 5.705 377 1HD1 LEU 48 1HD1 LEU 48 -1.954 -7.303 7.091 378 2HD1 LEU 48 2HD1 LEU 48 -2.542 -8.640 6.073 379 3HD1 LEU 48 3HD1 LEU 48 -1.529 -7.359 5.363 380 1HD2 LEU 48 1HD2 LEU 48 -4.416 -6.260 7.672 381 2HD2 LEU 48 2HD2 LEU 48 -2.983 -5.302 7.229 382 3HD2 LEU 48 3HD2 LEU 48 -4.548 -4.979 6.445 383 H ARG 49 H ARG 49 -2.410 -4.243 1.818 384 HA ARG 49 HA ARG 49 -1.336 -6.196 0.302 385 1HB ARG 49 1HB ARG 49 -1.213 -4.568 -1.461 386 2HB ARG 49 2HB ARG 49 -2.515 -4.019 -0.424 387 1HG ARG 49 1HG ARG 49 -0.830 -2.516 0.768 388 2HG ARG 49 2HG ARG 49 0.355 -2.976 -0.438 389 1HD ARG 49 1HD ARG 49 -2.291 -1.540 -0.952 390 2HD ARG 49 2HD ARG 49 -0.687 -0.852 -1.101 391 HE ARG 49 HE ARG 49 -1.199 -3.235 -2.772 392 1HH1 ARG 49 1HH1 ARG 49 -0.976 -1.355 -5.704 393 2HH1 ARG 49 2HH1 ARG 49 -1.054 -2.952 -5.035 394 1HH2 ARG 49 1HH2 ARG 49 -1.017 0.494 -4.302 395 2HH2 ARG 49 2HH2 ARG 49 -1.127 0.278 -2.587 396 H SER 50 H SER 50 0.328 -3.426 1.924 397 HA SER 50 HA SER 50 2.859 -4.499 1.005 398 1HB SER 50 1HB SER 50 2.579 -2.112 0.643 399 2HB SER 50 2HB SER 50 2.086 -1.856 2.306 400 HG SER 50 HG SER 50 4.156 -2.036 3.014 401 H TRP 51 H TRP 51 0.802 -4.044 3.856 402 HA TRP 51 HA TRP 51 2.818 -4.436 5.799 403 1HB TRP 51 1HB TRP 51 -0.136 -4.282 5.718 404 2HB TRP 51 2HB TRP 51 0.542 -5.207 7.042 405 HD1 TRP 51 HD TRP 51 1.123 -3.756 9.133 406 HE1 TRP 51 1HE TRP 51 1.619 -1.230 9.713 407 HE3 TRP 51 3HE TRP 51 1.001 -2.083 4.332 408 HZ2 TRP 51 2HZ TRP 51 1.898 1.131 8.135 409 HZ3 TRP 51 3HZ TRP 51 1.396 0.347 3.939 410 HH2 TRP 51 HH TRP 51 1.832 1.935 5.745 411 H PHE 52 H PHE 52 1.084 -6.485 3.546 412 HA PHE 52 HA PHE 52 1.746 -8.866 5.092 413 1HB PHE 52 1HB PHE 52 -0.544 -8.411 3.990 414 2HB PHE 52 2HB PHE 52 0.258 -8.446 2.432 415 HD1 PHE 52 1HD PHE 52 -1.288 -10.396 4.991 416 HD2 PHE 52 2HD PHE 52 1.438 -10.606 1.746 417 HE1 PHE 52 1HE PHE 52 -1.613 -12.882 4.880 418 HE2 PHE 52 2HE PHE 52 1.113 -13.092 1.635 419 HZ PHE 52 HZ PHE 52 -0.408 -14.201 3.204 420 H ARG 53 H ARG 53 2.271 -7.334 1.854 421 HA ARG 53 HA ARG 53 4.116 -9.416 1.189 422 1HB ARG 53 1HB ARG 53 2.480 -7.646 -0.276 423 2HB ARG 53 2HB ARG 53 4.099 -7.053 -0.583 424 1HG ARG 53 1HG ARG 53 4.740 -8.962 -1.730 425 2HG ARG 53 2HG ARG 53 3.764 -10.024 -0.734 426 1HD ARG 53 1HD ARG 53 2.683 -10.044 -2.864 427 2HD ARG 53 2HD ARG 53 1.693 -8.980 -1.884 428 HE ARG 53 HE ARG 53 3.710 -7.407 -3.174 429 1HH1 ARG 53 1HH1 ARG 53 1.789 -6.498 -5.942 430 2HH1 ARG 53 2HH1 ARG 53 3.202 -6.139 -5.006 431 1HH2 ARG 53 1HH2 ARG 53 0.413 -8.267 -5.336 432 2HH2 ARG 53 2HH2 ARG 53 0.799 -9.227 -3.947 433 H GLU 54 H GLU 54 4.307 -6.869 3.245 434 HA GLU 54 HA GLU 54 6.185 -5.156 2.655 435 1HB GLU 54 1HB GLU 54 6.637 -4.962 4.948 436 2HB GLU 54 2HB GLU 54 5.083 -5.772 4.951 437 1HG GLU 54 1HG GLU 54 6.208 -7.188 6.395 438 2HG GLU 54 2HG GLU 54 6.622 -7.979 4.887 439 H ARG 55 H ARG 55 6.702 -8.663 3.020 440 HA ARG 55 HA ARG 55 9.524 -8.401 2.995 441 1HB ARG 55 1HB ARG 55 7.641 -10.443 3.593 442 2HB ARG 55 2HB ARG 55 8.516 -11.046 2.199 443 1HG ARG 55 1HG ARG 55 10.682 -10.360 3.474 444 2HG ARG 55 2HG ARG 55 9.660 -10.190 4.887 445 1HD ARG 55 1HD ARG 55 9.385 -12.744 3.320 446 2HD ARG 55 2HD ARG 55 10.868 -12.532 4.230 447 HE ARG 55 HE ARG 55 8.700 -11.829 5.941 448 1HH1 ARG 55 1HH1 ARG 55 8.225 -14.981 7.363 449 2HH1 ARG 55 2HH1 ARG 55 7.919 -13.283 7.522 450 1HH2 ARG 55 1HH2 ARG 55 9.428 -15.777 5.545 451 2HH2 ARG 55 2HH2 ARG 55 10.019 -14.675 4.347 452 H LEU 56 H LEU 56 10.563 -7.735 1.134 453 HA LEU 56 HA LEU 56 11.200 -7.645 -0.977 454 1HB LEU 56 1HB LEU 56 9.783 -10.295 -1.033 455 2HB LEU 56 2HB LEU 56 10.476 -9.607 -2.489 456 HG LEU 56 HG LEU 56 12.083 -10.074 0.032 457 1HD1 LEU 56 1HD1 LEU 56 12.188 -12.251 -0.365 458 2HD1 LEU 56 2HD1 LEU 56 10.970 -12.054 -1.648 459 3HD1 LEU 56 3HD1 LEU 56 12.702 -11.958 -2.044 460 1HD2 LEU 56 1HD2 LEU 56 13.012 -9.738 -2.830 461 2HD2 LEU 56 2HD2 LEU 56 12.941 -8.421 -1.635 462 3HD2 LEU 56 3HD2 LEU 56 14.012 -9.815 -1.360 463 H ILE 57 H ILE 57 9.551 -5.747 -0.600 464 HA ILE 57 HA ILE 57 7.127 -6.050 -2.129 465 HB ILE 57 HB ILE 57 7.309 -4.768 0.007 466 1HG1 ILE 57 1HG1 ILE 57 6.131 -2.654 -1.171 467 2HG1 ILE 57 2HG1 ILE 57 6.119 -3.760 -2.532 468 1HG2 ILE 57 1HG2 ILE 57 9.247 -3.553 0.035 469 2HG2 ILE 57 2HG2 ILE 57 9.138 -3.117 -1.687 470 3HG2 ILE 57 3HG2 ILE 57 8.101 -2.298 -0.495 471 1HD1 ILE 57 1HD1 ILE 57 5.312 -5.015 0.037 472 2HD1 ILE 57 2HD1 ILE 57 4.223 -3.727 -0.529 473 3HD1 ILE 57 3HD1 ILE 57 4.559 -5.130 -1.571 474 H ALA 58 H ALA 58 10.304 -5.843 -2.979 475 HA ALA 58 HA ALA 58 10.767 -3.805 -4.624 476 1HB ALA 58 1HB ALA 58 11.168 -6.665 -5.550 477 2HB ALA 58 2HB ALA 58 12.215 -5.252 -5.828 478 3HB ALA 58 3HB ALA 58 12.100 -5.969 -4.202 479 H HIS 59 H HIS 59 8.433 -6.473 -5.191 480 HA HIS 59 HA HIS 59 7.696 -5.183 -7.704 481 1HB HIS 59 1HB HIS 59 7.810 -7.936 -6.759 482 2HB HIS 59 2HB HIS 59 6.236 -7.554 -7.427 483 HD1 HIS 59 1HD HIS 59 9.894 -7.756 -8.389 484 HD2 HIS 59 2HD HIS 59 6.154 -7.205 -10.207 485 HE1 HIS 59 1HE HIS 59 10.284 -7.952 -10.903 486 H ARG 60 H ARG 60 5.650 -4.303 -8.030 487 HA ARG 60 HA ARG 60 3.484 -4.851 -6.429 488 1HB ARG 60 1HB ARG 60 3.301 -2.844 -5.029 489 2HB ARG 60 2HB ARG 60 4.822 -3.636 -4.672 490 1HG ARG 60 1HG ARG 60 5.578 -1.953 -6.732 491 2HG ARG 60 2HG ARG 60 4.316 -1.003 -5.973 492 1HD ARG 60 1HD ARG 60 5.462 -1.327 -3.741 493 2HD ARG 60 2HD ARG 60 6.751 -2.190 -4.554 494 HE ARG 60 HE ARG 60 6.294 0.394 -5.791 495 1HH1 ARG 60 1HH1 ARG 60 8.997 1.935 -4.209 496 2HH1 ARG 60 2HH1 ARG 60 7.839 2.051 -5.493 497 1HH2 ARG 60 1HH2 ARG 60 8.978 0.097 -2.793 498 2HH2 ARG 60 2HH2 ARG 60 7.807 -1.159 -3.019 499 H LEU 61 H LEU 61 1.719 -4.232 -7.668 500 HA LEU 61 HA LEU 61 1.781 -1.753 -9.112 501 1HB LEU 61 1HB LEU 61 1.322 -2.861 -11.306 502 2HB LEU 61 2HB LEU 61 2.976 -2.941 -10.732 503 HG LEU 61 HG LEU 61 1.906 -5.030 -11.814 504 1HD1 LEU 61 1HD1 LEU 61 3.031 -6.119 -9.398 505 2HD1 LEU 61 2HD1 LEU 61 3.732 -6.016 -11.031 506 3HD1 LEU 61 3HD1 LEU 61 3.930 -4.663 -9.890 507 1HD2 LEU 61 1HD2 LEU 61 0.617 -6.485 -10.448 508 2HD2 LEU 61 2HD2 LEU 61 0.832 -5.447 -9.018 509 3HD2 LEU 61 3HD2 LEU 61 -0.163 -4.887 -10.383 510 H ALA 62 H ALA 62 -0.380 -1.376 -10.211 511 HA ALA 62 HA ALA 62 -2.545 -3.066 -9.787 512 1HB ALA 62 1HB ALA 62 -2.687 -0.820 -7.795 513 2HB ALA 62 2HB ALA 62 -3.510 -2.398 -7.791 514 3HB ALA 62 3HB ALA 62 -1.787 -2.293 -7.358 515 H SER 63 H SER 63 -1.957 0.483 -9.235 516 HA SER 63 HA SER 63 -2.605 2.244 -10.325 517 1HB SER 63 1HB SER 63 -1.446 1.396 -12.275 518 2HB SER 63 2HB SER 63 -2.761 0.305 -12.665 519 HG SER 63 HG SER 63 -3.303 1.936 -13.980 520 H VAL 64 H VAL 64 -4.521 2.141 -8.844 521 HA VAL 64 HA VAL 64 -6.972 1.476 -10.322 522 HB VAL 64 HB VAL 64 -6.356 1.440 -7.363 523 1HG1 VAL 64 1HG1 VAL 64 -8.740 2.233 -8.296 524 2HG1 VAL 64 2HG1 VAL 64 -8.979 0.472 -8.404 525 3HG1 VAL 64 3HG1 VAL 64 -8.568 1.220 -6.842 526 1HG2 VAL 64 1HG2 VAL 64 -6.165 -0.541 -9.423 527 2HG2 VAL 64 2HG2 VAL 64 -5.849 -0.707 -7.679 528 3HG2 VAL 64 3HG2 VAL 64 -7.485 -0.996 -8.319 529 H ASN 65 H ASN 65 -6.986 3.258 -7.279 530 HA ASN 65 HA ASN 65 -8.199 5.443 -8.646 531 1HB ASN 65 1HB ASN 65 -8.155 4.372 -5.962 532 2HB ASN 65 2HB ASN 65 -7.619 6.039 -5.864 533 1HD2 ASN 65 1HD2 ASN 65 -9.212 7.313 -5.339 534 2HD2 ASN 65 2HD2 ASN 65 -10.836 7.273 -5.939 535 H LEU 66 H LEU 66 -5.463 5.071 -6.251 536 HA LEU 66 HA LEU 66 -3.442 5.996 -6.195 537 1HB LEU 66 1HB LEU 66 -4.047 6.162 -8.905 538 2HB LEU 66 2HB LEU 66 -3.581 7.795 -8.476 539 HG LEU 66 HG LEU 66 -1.718 5.882 -7.343 540 1HD1 LEU 66 1HD1 LEU 66 -1.771 4.326 -8.962 541 2HD1 LEU 66 2HD1 LEU 66 -2.604 5.396 -10.116 542 3HD1 LEU 66 3HD1 LEU 66 -0.842 5.528 -9.892 543 1HD2 LEU 66 1HD2 LEU 66 -0.074 7.289 -8.445 544 2HD2 LEU 66 2HD2 LEU 66 -1.350 8.067 -9.412 545 3HD2 LEU 66 3HD2 LEU 66 -1.310 8.292 -7.648 546 H SER 67 H SER 67 -3.877 7.088 -4.280 547 HA SER 67 HA SER 67 -5.052 9.726 -4.599 548 1HB SER 67 1HB SER 67 -4.625 8.018 -2.107 549 2HB SER 67 2HB SER 67 -5.335 9.621 -2.097 550 HG SER 67 HG SER 67 -6.935 8.670 -3.715 551 H ARG 68 H ARG 68 -4.063 11.518 -3.219 552 HA ARG 68 HA ARG 68 -1.186 11.092 -3.087 553 1HB ARG 68 1HB ARG 68 -2.757 13.117 -4.433 554 2HB ARG 68 2HB ARG 68 -1.837 13.908 -3.169 555 1HG ARG 68 1HG ARG 68 0.192 12.489 -4.087 556 2HG ARG 68 2HG ARG 68 -0.802 12.286 -5.515 557 1HD ARG 68 1HD ARG 68 -1.072 14.978 -5.204 558 2HD ARG 68 2HD ARG 68 0.494 14.776 -4.441 559 HE ARG 68 HE ARG 68 -0.077 14.557 -7.274 560 1HH1 ARG 68 1HH1 ARG 68 3.060 13.266 -8.097 561 2HH1 ARG 68 2HH1 ARG 68 1.611 13.996 -8.708 562 1HH2 ARG 68 1HH2 ARG 68 3.284 12.858 -5.824 563 2HH2 ARG 68 2HH2 ARG 68 2.004 13.283 -4.737 564 H LEU 69 H LEU 69 -0.124 11.652 -1.151 565 HA LEU 69 HA LEU 69 -1.367 13.362 0.759 566 1HB LEU 69 1HB LEU 69 -1.914 11.876 2.444 567 2HB LEU 69 2HB LEU 69 -2.594 11.161 0.996 568 HG LEU 69 HG LEU 69 0.134 10.268 1.819 569 1HD1 LEU 69 1HD1 LEU 69 -0.997 10.285 3.956 570 2HD1 LEU 69 2HD1 LEU 69 -2.397 9.431 3.261 571 3HD1 LEU 69 3HD1 LEU 69 -0.823 8.608 3.383 572 1HD2 LEU 69 1HD2 LEU 69 -2.156 8.538 0.923 573 2HD2 LEU 69 2HD2 LEU 69 -1.253 9.529 -0.247 574 3HD2 LEU 69 3HD2 LEU 69 -0.404 8.299 0.721 575 HA PRO 70 HA PRO 70 2.837 13.721 1.683 576 1HB PRO 70 1HB PRO 70 2.719 15.135 4.018 577 2HB PRO 70 2HB PRO 70 2.555 15.877 2.440 578 1HG PRO 70 1HG PRO 70 0.459 15.302 4.444 579 2HG PRO 70 2HG PRO 70 0.401 16.398 3.079 580 1HD PRO 70 1HD PRO 70 -0.817 13.807 3.251 581 2HD PRO 70 2HD PRO 70 -0.776 14.855 1.847 582 H TYR 71 H TYR 71 4.450 13.585 3.706 583 HA TYR 71 HA TYR 71 3.617 11.168 5.154 584 1HB TYR 71 1HB TYR 71 6.121 10.536 4.799 585 2HB TYR 71 2HB TYR 71 5.128 10.469 3.357 586 HD1 TYR 71 1HD TYR 71 5.083 12.671 1.896 587 HD2 TYR 71 2HD TYR 71 8.126 11.729 4.753 588 HE1 TYR 71 1HE TYR 71 6.682 14.267 0.730 589 HE2 TYR 71 2HE TYR 71 9.714 13.328 3.577 590 HH TYR 71 HH TYR 71 9.948 14.809 2.020 591 H GLU 72 H GLU 72 5.942 13.935 4.914 592 HA GLU 72 HA GLU 72 7.013 15.073 6.427 593 1HB GLU 72 1HB GLU 72 4.299 14.840 7.361 594 2HB GLU 72 2HB GLU 72 5.347 14.818 8.764 595 1HG GLU 72 1HG GLU 72 6.516 16.838 7.300 596 2HG GLU 72 2HG GLU 72 4.844 17.015 6.805 597 HA PRO 73 HA PRO 73 8.940 11.619 8.491 598 1HB PRO 73 1HB PRO 73 11.522 12.350 7.974 599 2HB PRO 73 2HB PRO 73 10.588 11.316 6.912 600 1HG PRO 73 1HG PRO 73 11.307 14.163 6.567 601 2HG PRO 73 2HG PRO 73 10.759 13.015 5.361 602 1HD PRO 73 1HD PRO 73 9.206 15.096 6.580 603 2HD PRO 73 2HD PRO 73 8.629 13.876 5.462 604 H LYS 74 H LYS 74 9.601 15.017 8.799 605 HA LYS 74 HA LYS 74 10.347 16.216 10.517 606 1HB LYS 74 1HB LYS 74 9.010 16.050 12.497 607 2HB LYS 74 2HB LYS 74 7.990 15.688 11.118 608 1HG LYS 74 1HG LYS 74 7.916 13.369 11.607 609 2HG LYS 74 2HG LYS 74 9.385 13.417 12.559 610 1HD LYS 74 1HD LYS 74 6.970 14.998 13.480 611 2HD LYS 74 2HD LYS 74 7.022 13.269 13.761 612 1HE LYS 74 2HE LYS 74 9.536 13.958 14.622 613 2HE LYS 74 3HE LYS 74 8.675 15.441 14.988 614 1HZ LYS 74 1HZ LYS 74 7.078 14.161 16.223 615 2HZ LYS 74 2HZ LYS 74 7.830 12.760 15.848 616 3HZ LYS 74 3HZ LYS 74 8.579 13.861 16.793 617 H LEU 75 H LEU 75 10.887 15.620 13.243 618 HA LEU 75 HA LEU 75 12.448 14.800 14.574 619 1HB LEU 75 1HB LEU 75 11.465 12.600 13.490 620 2HB LEU 75 2HB LEU 75 13.059 12.504 12.768 621 HG LEU 75 HG LEU 75 13.044 13.011 15.683 622 1HD1 LEU 75 1HD1 LEU 75 11.665 11.388 16.298 623 2HD1 LEU 75 2HD1 LEU 75 11.375 10.931 14.603 624 3HD1 LEU 75 3HD1 LEU 75 12.738 10.215 15.497 625 1HD2 LEU 75 1HD2 LEU 75 14.617 11.383 13.710 626 2HD2 LEU 75 2HD2 LEU 75 15.161 12.659 14.826 627 3HD2 LEU 75 3HD2 LEU 75 14.736 11.048 15.453 628 H LYS 76 H LYS 76 13.884 16.516 14.360 629 HA LYS 76 HA LYS 76 15.445 17.040 12.157 630 1HB LYS 76 1HB LYS 76 14.983 18.276 14.496 631 2HB LYS 76 2HB LYS 76 16.562 17.610 14.862 632 1HG LYS 76 1HG LYS 76 17.422 18.604 12.685 633 2HG LYS 76 2HG LYS 76 15.861 19.372 12.467 634 1HD LYS 76 1HD LYS 76 16.634 21.108 13.708 635 2HD LYS 76 2HD LYS 76 16.571 20.053 15.106 636 1HE LYS 76 2HE LYS 76 18.965 19.318 13.791 637 2HE LYS 76 3HE LYS 76 18.914 21.064 13.646 638 1HZ LYS 76 1HZ LYS 76 19.485 19.550 15.901 639 2HZ LYS 76 2HZ LYS 76 19.500 21.176 15.747 640 3HZ LYS 76 3HZ LYS 76 18.135 20.414 16.217 Start of MODEL 3 1 H MET 1 H MET 1 1.867 -3.886 18.425 2 HA MET 1 HA MET 1 -0.555 -5.307 18.587 3 1HB MET 1 1HB MET 1 0.637 -3.546 16.804 4 2HB MET 1 2HB MET 1 0.840 -5.057 15.941 5 1HG MET 1 1HG MET 1 -1.321 -4.919 15.261 6 2HG MET 1 2HG MET 1 -1.833 -5.109 16.926 7 1HE MET 1 1HE MET 1 -1.215 -2.687 18.582 8 2HE MET 1 2HE MET 1 -2.603 -1.644 18.190 9 3HE MET 1 3HE MET 1 -2.826 -3.404 18.341 10 H LEU 2 H LEU 2 2.652 -6.065 17.040 11 HA LEU 2 HA LEU 2 2.411 -8.801 17.799 12 1HB LEU 2 1HB LEU 2 1.729 -7.948 15.026 13 2HB LEU 2 2HB LEU 2 2.681 -9.406 15.227 14 HG LEU 2 HG LEU 2 0.551 -9.649 17.057 15 1HD1 LEU 2 1HD1 LEU 2 -0.383 -8.562 14.391 16 2HD1 LEU 2 2HD1 LEU 2 -1.422 -9.452 15.529 17 3HD1 LEU 2 3HD1 LEU 2 -0.698 -7.899 16.012 18 1HD2 LEU 2 1HD2 LEU 2 1.392 -10.945 14.498 19 2HD2 LEU 2 2HD2 LEU 2 1.276 -11.617 16.141 20 3HD2 LEU 2 3HD2 LEU 2 -0.199 -11.349 15.184 21 H LYS 3 H LYS 3 4.400 -10.027 17.196 22 HA LYS 3 HA LYS 3 6.576 -8.356 16.245 23 1HB LYS 3 1HB LYS 3 7.991 -8.859 18.178 24 2HB LYS 3 2HB LYS 3 6.583 -7.922 18.638 25 1HG LYS 3 1HG LYS 3 6.104 -10.841 18.756 26 2HG LYS 3 2HG LYS 3 7.404 -10.326 19.812 27 1HD LYS 3 1HD LYS 3 4.885 -8.674 19.818 28 2HD LYS 3 2HD LYS 3 4.812 -10.253 20.576 29 1HE LYS 3 2HE LYS 3 5.544 -9.028 22.403 30 2HE LYS 3 3HE LYS 3 7.106 -9.433 21.719 31 1HZ LYS 3 1HZ LYS 3 6.290 -6.961 22.205 32 2HZ LYS 3 2HZ LYS 3 7.439 -7.333 21.105 33 3HZ LYS 3 3HZ LYS 3 5.900 -7.077 20.624 34 H ASN 4 H ASN 4 5.627 -10.103 14.577 35 HA ASN 4 HA ASN 4 5.942 -12.719 14.786 36 1HB ASN 4 1HB ASN 4 5.514 -11.051 12.696 37 2HB ASN 4 2HB ASN 4 7.188 -11.437 12.345 38 1HD2 ASN 4 1HD2 ASN 4 7.056 -12.745 10.658 39 2HD2 ASN 4 2HD2 ASN 4 6.193 -14.244 10.585 40 H LEU 5 H LEU 5 7.683 -14.240 14.810 41 HA LEU 5 HA LEU 5 10.358 -13.038 14.953 42 1HB LEU 5 1HB LEU 5 9.126 -15.375 16.397 43 2HB LEU 5 2HB LEU 5 10.862 -15.153 16.293 44 HG LEU 5 HG LEU 5 9.422 -12.760 17.223 45 1HD1 LEU 5 1HD1 LEU 5 8.870 -15.376 18.455 46 2HD1 LEU 5 2HD1 LEU 5 9.429 -14.123 19.589 47 3HD1 LEU 5 3HD1 LEU 5 7.993 -13.831 18.578 48 1HD2 LEU 5 1HD2 LEU 5 11.464 -12.338 17.970 49 2HD2 LEU 5 2HD2 LEU 5 11.366 -13.738 19.065 50 3HD2 LEU 5 3HD2 LEU 5 12.006 -13.941 17.416 51 H ALA 6 H ALA 6 9.605 -13.331 12.421 52 HA ALA 6 HA ALA 6 10.757 -15.920 11.632 53 1HB ALA 6 1HB ALA 6 8.513 -15.997 10.916 54 2HB ALA 6 2HB ALA 6 8.494 -14.269 10.486 55 3HB ALA 6 3HB ALA 6 9.390 -15.428 9.474 56 H LYS 7 H LYS 7 10.054 -12.717 10.064 57 HA LYS 7 HA LYS 7 12.729 -12.814 8.929 58 1HB LYS 7 1HB LYS 7 10.144 -11.544 8.228 59 2HB LYS 7 2HB LYS 7 11.569 -10.588 7.878 60 1HG LYS 7 1HG LYS 7 11.300 -11.878 5.914 61 2HG LYS 7 2HG LYS 7 12.538 -12.754 6.792 62 1HD LYS 7 1HD LYS 7 11.051 -14.478 7.448 63 2HD LYS 7 2HD LYS 7 9.629 -13.475 7.232 64 1HE LYS 7 2HE LYS 7 10.693 -13.489 4.666 65 2HE LYS 7 3HE LYS 7 11.123 -15.091 5.231 66 1HZ LYS 7 1HZ LYS 7 8.798 -14.585 4.212 67 2HZ LYS 7 2HZ LYS 7 8.965 -15.679 5.413 68 3HZ LYS 7 3HZ LYS 7 8.426 -14.174 5.749 69 H LEU 8 H LEU 8 10.602 -10.443 10.684 70 HA LEU 8 HA LEU 8 11.184 -8.577 11.778 71 1HB LEU 8 1HB LEU 8 11.577 -10.784 13.232 72 2HB LEU 8 2HB LEU 8 13.207 -10.145 13.290 73 HG LEU 8 HG LEU 8 12.003 -9.427 15.239 74 1HD1 LEU 8 1HD1 LEU 8 13.470 -7.740 14.823 75 2HD1 LEU 8 2HD1 LEU 8 12.797 -7.393 13.212 76 3HD1 LEU 8 3HD1 LEU 8 11.952 -6.823 14.671 77 1HD2 LEU 8 1HD2 LEU 8 10.054 -7.617 14.327 78 2HD2 LEU 8 2HD2 LEU 8 9.811 -9.111 13.390 79 3HD2 LEU 8 3HD2 LEU 8 9.801 -9.166 15.169 80 H ASP 9 H ASP 9 12.142 -7.650 9.753 81 HA ASP 9 HA ASP 9 15.000 -7.278 10.187 82 1HB ASP 9 1HB ASP 9 13.837 -8.511 7.975 83 2HB ASP 9 2HB ASP 9 14.001 -6.856 7.422 84 H GLN 10 H GLN 10 12.870 -5.675 11.313 85 HA GLN 10 HA GLN 10 12.193 -3.623 11.524 86 1HB GLN 10 1HB GLN 10 14.804 -3.336 11.005 87 2HB GLN 10 2HB GLN 10 14.209 -2.539 9.562 88 1HG GLN 10 1HG GLN 10 12.599 -1.395 11.500 89 2HG GLN 10 2HG GLN 10 14.076 -1.657 12.405 90 1HE2 GLN 10 1HE2 GLN 10 12.505 0.609 10.850 91 2HE2 GLN 10 2HE2 GLN 10 13.772 1.542 10.125 92 H THR 11 H THR 11 11.499 -5.392 9.015 93 HA THR 11 HA THR 11 10.778 -3.474 7.018 94 HB THR 11 HB THR 11 10.338 -6.442 7.529 95 HG1 THR 11 1HG THR 11 12.283 -6.050 6.485 96 1HG2 THR 11 1HG2 THR 11 9.343 -6.522 5.215 97 2HG2 THR 11 2HG2 THR 11 8.278 -5.683 6.369 98 3HG2 THR 11 3HG2 THR 11 9.258 -4.743 5.218 99 H GLU 12 H GLU 12 8.758 -5.606 9.156 100 HA GLU 12 HA GLU 12 6.405 -4.362 8.563 101 1HB GLU 12 1HB GLU 12 6.933 -6.527 9.939 102 2HB GLU 12 2HB GLU 12 6.997 -5.461 11.328 103 1HG GLU 12 1HG GLU 12 4.677 -4.591 10.622 104 2HG GLU 12 2HG GLU 12 4.629 -5.897 9.455 105 H MET 13 H MET 13 9.098 -3.227 10.482 106 HA MET 13 HA MET 13 7.691 -1.523 12.180 107 1HB MET 13 1HB MET 13 10.496 -2.003 11.293 108 2HB MET 13 2HB MET 13 10.202 -0.339 11.753 109 1HG MET 13 1HG MET 13 10.737 -1.217 13.842 110 2HG MET 13 2HG MET 13 9.003 -1.466 13.868 111 1HE MET 13 1HE MET 13 9.349 -4.842 15.302 112 2HE MET 13 2HE MET 13 10.275 -3.438 15.885 113 3HE MET 13 3HE MET 13 8.615 -3.221 15.280 114 H ASP 14 H ASP 14 8.852 -1.227 8.819 115 HA ASP 14 HA ASP 14 8.562 1.564 8.715 116 1HB ASP 14 1HB ASP 14 9.925 0.035 7.152 117 2HB ASP 14 2HB ASP 14 8.408 -0.411 6.395 118 H LYS 15 H LYS 15 6.460 -1.273 8.314 119 HA LYS 15 HA LYS 15 4.372 0.258 7.028 120 1HB LYS 15 1HB LYS 15 4.941 -2.603 7.577 121 2HB LYS 15 2HB LYS 15 3.250 -2.149 7.586 122 1HG LYS 15 1HG LYS 15 4.114 -2.842 5.308 123 2HG LYS 15 2HG LYS 15 3.380 -1.251 5.336 124 1HD LYS 15 1HD LYS 15 5.467 -1.127 4.068 125 2HD LYS 15 2HD LYS 15 5.658 -0.216 5.553 126 1HE LYS 15 2HE LYS 15 7.052 -1.857 6.543 127 2HE LYS 15 3HE LYS 15 6.456 -3.137 5.507 128 1HZ LYS 15 1HZ LYS 15 8.716 -1.828 5.094 129 2HZ LYS 15 2HZ LYS 15 7.882 -2.579 3.908 130 3HZ LYS 15 3HZ LYS 15 7.721 -0.968 4.125 131 H VAL 16 H VAL 16 5.163 -1.197 10.220 132 HA VAL 16 HA VAL 16 2.707 -0.751 11.431 133 HB VAL 16 HB VAL 16 5.428 -1.439 12.169 134 1HG1 VAL 16 1HG1 VAL 16 5.429 0.624 13.437 135 2HG1 VAL 16 2HG1 VAL 16 3.833 0.244 14.130 136 3HG1 VAL 16 3HG1 VAL 16 5.248 -0.749 14.556 137 1HG2 VAL 16 1HG2 VAL 16 2.941 -2.589 12.284 138 2HG2 VAL 16 2HG2 VAL 16 4.385 -3.183 13.140 139 3HG2 VAL 16 3HG2 VAL 16 3.215 -2.141 13.984 140 H ASN 17 H ASN 17 5.042 1.483 10.215 141 HA ASN 17 HA ASN 17 4.444 3.528 12.095 142 1HB ASN 17 1HB ASN 17 6.619 3.651 11.070 143 2HB ASN 17 2HB ASN 17 5.972 3.396 9.462 144 1HD2 ASN 17 1HD2 ASN 17 4.511 5.056 8.598 145 2HD2 ASN 17 2HD2 ASN 17 4.812 6.723 8.959 146 H VAL 18 H VAL 18 3.926 3.033 8.513 147 HA VAL 18 HA VAL 18 2.124 5.190 8.279 148 HB VAL 18 HB VAL 18 2.486 2.782 6.487 149 1HG1 VAL 18 1HG1 VAL 18 0.488 4.208 6.041 150 2HG1 VAL 18 2HG1 VAL 18 1.575 5.597 5.810 151 3HG1 VAL 18 3HG1 VAL 18 1.669 4.202 4.709 152 1HG2 VAL 18 1HG2 VAL 18 4.063 5.362 6.683 153 2HG2 VAL 18 2HG2 VAL 18 4.664 3.693 6.816 154 3HG2 VAL 18 3HG2 VAL 18 4.087 4.308 5.248 155 H ASP 19 H ASP 19 1.842 2.161 9.799 156 HA ASP 19 HA ASP 19 -0.627 1.289 9.059 157 1HB ASP 19 1HB ASP 19 1.182 0.423 10.820 158 2HB ASP 19 2HB ASP 19 0.193 1.293 11.974 159 H LEU 20 H LEU 20 0.337 4.197 10.730 160 HA LEU 20 HA LEU 20 -2.272 4.562 11.960 161 1HB LEU 20 1HB LEU 20 0.425 5.779 12.229 162 2HB LEU 20 2HB LEU 20 -0.953 6.813 12.547 163 HG LEU 20 HG LEU 20 -1.511 4.466 13.968 164 1HD1 LEU 20 1HD1 LEU 20 0.744 4.620 15.417 165 2HD1 LEU 20 2HD1 LEU 20 0.504 3.445 14.101 166 3HD1 LEU 20 3HD1 LEU 20 1.415 4.944 13.799 167 1HD2 LEU 20 1HD2 LEU 20 -0.631 6.101 15.909 168 2HD2 LEU 20 2HD2 LEU 20 -0.760 7.273 14.575 169 3HD2 LEU 20 3HD2 LEU 20 -2.184 6.325 15.067 170 H ALA 21 H ALA 21 -0.543 5.247 9.031 171 HA ALA 21 HA ALA 21 -1.318 7.661 8.196 172 1HB ALA 21 1HB ALA 21 -1.597 5.101 6.571 173 2HB ALA 21 2HB ALA 21 -1.312 6.741 5.940 174 3HB ALA 21 3HB ALA 21 -0.055 5.927 6.902 175 H ALA 22 H ALA 22 -3.375 4.815 7.288 176 HA ALA 22 HA ALA 22 -5.717 5.934 8.414 177 1HB ALA 22 1HB ALA 22 -6.385 5.937 5.640 178 2HB ALA 22 2HB ALA 22 -6.378 7.312 6.770 179 3HB ALA 22 3HB ALA 22 -4.917 6.925 5.831 180 H ALA 23 H ALA 23 -7.592 4.726 6.606 181 HA ALA 23 HA ALA 23 -7.129 1.979 7.318 182 1HB ALA 23 1HB ALA 23 -9.329 3.064 7.613 183 2HB ALA 23 2HB ALA 23 -9.423 3.353 5.859 184 3HB ALA 23 3HB ALA 23 -9.435 1.688 6.489 185 H GLY 24 H GLY 24 -8.459 0.685 5.143 186 1HA GLY 24 1HA GLY 24 -6.486 1.095 2.973 187 2HA GLY 24 2HA GLY 24 -7.012 -0.481 3.529 188 H VAL 25 H VAL 25 -8.732 2.628 2.732 189 HA VAL 25 HA VAL 25 -10.428 1.038 0.933 190 HB VAL 25 HB VAL 25 -11.464 3.562 2.074 191 1HG1 VAL 25 1HG1 VAL 25 -12.464 1.291 0.724 192 2HG1 VAL 25 2HG1 VAL 25 -13.153 1.238 2.365 193 3HG1 VAL 25 3HG1 VAL 25 -13.382 2.682 1.349 194 1HG2 VAL 25 1HG2 VAL 25 -12.229 2.000 4.104 195 2HG2 VAL 25 2HG2 VAL 25 -10.653 1.242 3.772 196 3HG2 VAL 25 3HG2 VAL 25 -10.742 2.976 4.163 197 H ALA 26 H ALA 26 -8.720 4.131 1.587 198 HA ALA 26 HA ALA 26 -9.389 5.684 -0.471 199 1HB ALA 26 1HB ALA 26 -6.638 5.036 0.644 200 2HB ALA 26 2HB ALA 26 -6.935 6.374 -0.491 201 3HB ALA 26 3HB ALA 26 -7.721 6.371 1.105 202 H PHE 27 H PHE 27 -7.274 2.764 -0.644 203 HA PHE 27 HA PHE 27 -7.752 2.775 -3.529 204 1HB PHE 27 1HB PHE 27 -5.477 3.661 -3.151 205 2HB PHE 27 2HB PHE 27 -5.151 2.448 -1.929 206 HD1 PHE 27 1HD PHE 27 -3.058 1.949 -3.171 207 HD2 PHE 27 2HD PHE 27 -6.882 1.327 -4.904 208 HE1 PHE 27 1HE PHE 27 -2.026 0.468 -4.914 209 HE2 PHE 27 2HE PHE 27 -5.849 -0.155 -6.648 210 HZ PHE 27 HZ PHE 27 -3.435 -0.566 -6.633 211 H LYS 28 H LYS 28 -9.443 1.261 -2.270 212 HA LYS 28 HA LYS 28 -8.383 -1.416 -2.620 213 1HB LYS 28 1HB LYS 28 -8.123 -0.731 -0.172 214 2HB LYS 28 2HB LYS 28 -9.874 -0.721 -0.082 215 1HG LYS 28 1HG LYS 28 -9.005 -2.913 0.639 216 2HG LYS 28 2HG LYS 28 -9.946 -3.095 -0.828 217 1HD LYS 28 1HD LYS 28 -7.179 -2.532 -1.532 218 2HD LYS 28 2HD LYS 28 -7.223 -3.861 -0.389 219 1HE LYS 28 2HE LYS 28 -7.748 -5.212 -2.140 220 2HE LYS 28 3HE LYS 28 -9.333 -4.463 -2.141 221 1HZ LYS 28 1HZ LYS 28 -7.667 -4.376 -4.185 222 2HZ LYS 28 2HZ LYS 28 -8.820 -3.250 -3.925 223 3HZ LYS 28 3HZ LYS 28 -7.279 -2.960 -3.469 224 H GLU 29 H GLU 29 -10.208 0.579 -3.999 225 HA GLU 29 HA GLU 29 -12.783 -0.629 -3.612 226 1HB GLU 29 1HB GLU 29 -13.128 1.034 -5.747 227 2HB GLU 29 2HB GLU 29 -13.228 1.562 -4.079 228 1HG GLU 29 1HG GLU 29 -10.936 2.351 -4.090 229 2HG GLU 29 2HG GLU 29 -10.594 1.551 -5.610 230 H ARG 30 H ARG 30 -10.033 -1.648 -5.091 231 HA ARG 30 HA ARG 30 -10.645 -2.166 -7.674 232 1HB ARG 30 1HB ARG 30 -8.512 -2.710 -6.191 233 2HB ARG 30 2HB ARG 30 -9.277 -4.271 -5.960 234 1HG ARG 30 1HG ARG 30 -9.514 -4.307 -8.576 235 2HG ARG 30 2HG ARG 30 -8.332 -3.013 -8.559 236 1HD ARG 30 1HD ARG 30 -7.223 -4.914 -6.812 237 2HD ARG 30 2HD ARG 30 -7.951 -5.899 -8.064 238 HE ARG 30 HE ARG 30 -5.672 -4.079 -8.375 239 1HH1 ARG 30 1HH1 ARG 30 -5.350 -4.784 -11.777 240 2HH1 ARG 30 2HH1 ARG 30 -4.603 -4.056 -10.394 241 1HH2 ARG 30 1HH2 ARG 30 -7.435 -5.784 -11.578 242 2HH2 ARG 30 2HH2 ARG 30 -8.245 -5.800 -10.046 243 H TYR 31 H TYR 31 -11.562 -3.991 -4.698 244 HA TYR 31 HA TYR 31 -12.976 -5.972 -6.274 245 1HB TYR 31 1HB TYR 31 -13.051 -7.090 -4.137 246 2HB TYR 31 2HB TYR 31 -11.545 -6.198 -4.048 247 HD1 TYR 31 1HD TYR 31 -11.329 -4.227 -2.600 248 HD2 TYR 31 2HD TYR 31 -14.990 -6.432 -2.800 249 HE1 TYR 31 1HE TYR 31 -12.142 -3.082 -0.481 250 HE2 TYR 31 2HE TYR 31 -15.791 -5.280 -0.679 251 HH TYR 31 HH TYR 31 -15.375 -3.225 0.518 252 H ASN 32 H ASN 32 -13.802 -3.036 -6.242 253 HA ASN 32 HA ASN 32 -15.638 -1.885 -6.221 254 1HB ASN 32 1HB ASN 32 -16.735 -3.693 -7.436 255 2HB ASN 32 2HB ASN 32 -16.906 -4.656 -5.981 256 1HD2 ASN 32 1HD2 ASN 32 -19.097 -4.855 -6.140 257 2HD2 ASN 32 2HD2 ASN 32 -20.214 -3.561 -5.861 258 H MET 33 H MET 33 -14.529 -1.429 -3.922 259 HA MET 33 HA MET 33 -15.949 -2.499 -1.702 260 1HB MET 33 1HB MET 33 -14.352 -1.241 -0.394 261 2HB MET 33 2HB MET 33 -13.461 -1.752 -1.814 262 1HG MET 33 1HG MET 33 -12.893 0.496 -1.847 263 2HG MET 33 2HG MET 33 -14.365 0.592 -2.793 264 1HE MET 33 1HE MET 33 -14.896 3.754 -0.979 265 2HE MET 33 2HE MET 33 -13.210 3.276 -0.673 266 3HE MET 33 3HE MET 33 -13.958 2.939 -2.253 267 HA PRO 34 HA PRO 34 -19.023 0.609 -1.766 268 1HB PRO 34 1HB PRO 34 -20.431 -0.207 0.430 269 2HB PRO 34 2HB PRO 34 -20.665 -0.890 -1.167 270 1HG PRO 34 1HG PRO 34 -19.274 -2.061 1.164 271 2HG PRO 34 2HG PRO 34 -19.883 -2.865 -0.268 272 1HD PRO 34 1HD PRO 34 -17.148 -2.221 0.305 273 2HD PRO 34 2HD PRO 34 -17.771 -2.920 -1.176 274 H VAL 35 H VAL 35 -20.153 2.177 -0.116 275 HA VAL 35 HA VAL 35 -18.013 3.702 0.907 276 HB VAL 35 HB VAL 35 -19.908 5.048 1.888 277 1HG1 VAL 35 1HG1 VAL 35 -20.730 4.826 -0.908 278 2HG1 VAL 35 2HG1 VAL 35 -19.932 6.168 -0.052 279 3HG1 VAL 35 3HG1 VAL 35 -18.960 4.834 -0.718 280 1HG2 VAL 35 1HG2 VAL 35 -21.408 2.898 1.920 281 2HG2 VAL 35 2HG2 VAL 35 -22.134 4.487 1.579 282 3HG2 VAL 35 3HG2 VAL 35 -21.779 3.366 0.243 283 H ILE 36 H ILE 36 -17.300 1.465 2.055 284 HA ILE 36 HA ILE 36 -17.942 1.921 4.848 285 HB ILE 36 HB ILE 36 -18.897 -0.355 3.301 286 1HG1 ILE 36 1HG1 ILE 36 -19.494 0.324 6.180 287 2HG1 ILE 36 2HG1 ILE 36 -20.131 1.292 4.867 288 1HG2 ILE 36 1HG2 ILE 36 -16.901 -1.438 4.213 289 2HG2 ILE 36 2HG2 ILE 36 -17.365 -0.927 5.854 290 3HG2 ILE 36 3HG2 ILE 36 -18.386 -2.078 4.958 291 1HD1 ILE 36 1HD1 ILE 36 -20.451 -1.654 4.524 292 2HD1 ILE 36 2HD1 ILE 36 -21.383 -0.928 5.855 293 3HD1 ILE 36 3HD1 ILE 36 -21.601 -0.338 4.190 294 H ALA 37 H ALA 37 -16.367 0.666 6.280 295 HA ALA 37 HA ALA 37 -13.820 0.368 4.840 296 1HB ALA 37 1HB ALA 37 -13.216 2.174 6.069 297 2HB ALA 37 2HB ALA 37 -14.609 2.009 7.164 298 3HB ALA 37 3HB ALA 37 -13.146 1.033 7.432 299 H GLU 38 H GLU 38 -16.104 -0.779 7.322 300 HA GLU 38 HA GLU 38 -14.396 -2.719 8.386 301 1HB GLU 38 1HB GLU 38 -16.531 -3.691 9.310 302 2HB GLU 38 2HB GLU 38 -16.326 -1.985 9.648 303 1HG GLU 38 1HG GLU 38 -17.894 -1.347 7.924 304 2HG GLU 38 2HG GLU 38 -17.889 -2.952 7.220 305 H ALA 39 H ALA 39 -15.843 -2.435 5.314 306 HA ALA 39 HA ALA 39 -16.005 -5.334 4.959 307 1HB ALA 39 1HB ALA 39 -17.929 -3.879 4.279 308 2HB ALA 39 2HB ALA 39 -16.858 -3.072 3.109 309 3HB ALA 39 3HB ALA 39 -17.233 -4.802 2.926 310 H VAL 40 H VAL 40 -14.027 -2.510 4.365 311 HA VAL 40 HA VAL 40 -12.705 -3.476 2.060 312 HB VAL 40 HB VAL 40 -12.568 -1.226 3.913 313 1HG1 VAL 40 1HG1 VAL 40 -10.343 -2.219 4.378 314 2HG1 VAL 40 2HG1 VAL 40 -9.969 -2.149 2.639 315 3HG1 VAL 40 3HG1 VAL 40 -10.233 -0.644 3.554 316 1HG2 VAL 40 1HG2 VAL 40 -13.348 -0.643 1.828 317 2HG2 VAL 40 2HG2 VAL 40 -11.625 -0.232 1.649 318 3HG2 VAL 40 3HG2 VAL 40 -12.251 -1.759 0.980 319 H GLU 41 H GLU 41 -12.314 -3.908 5.583 320 HA GLU 41 HA GLU 41 -9.796 -5.223 5.186 321 1HB GLU 41 1HB GLU 41 -11.063 -3.878 7.334 322 2HB GLU 41 2HB GLU 41 -10.960 -5.549 7.847 323 1HG GLU 41 1HG GLU 41 -8.567 -5.603 7.564 324 2HG GLU 41 2HG GLU 41 -8.563 -4.117 6.637 325 H ARG 42 H ARG 42 -13.223 -6.013 5.891 326 HA ARG 42 HA ARG 42 -12.849 -8.639 6.594 327 1HB ARG 42 1HB ARG 42 -15.002 -7.469 6.883 328 2HB ARG 42 2HB ARG 42 -15.180 -7.282 5.150 329 1HG ARG 42 1HG ARG 42 -14.842 -10.013 5.331 330 2HG ARG 42 2HG ARG 42 -15.642 -9.687 6.855 331 1HD ARG 42 1HD ARG 42 -17.257 -8.202 5.288 332 2HD ARG 42 2HD ARG 42 -16.675 -9.294 4.047 333 HE ARG 42 HE ARG 42 -17.404 -10.898 6.270 334 1HH1 ARG 42 1HH1 ARG 42 -20.749 -11.413 5.417 335 2HH1 ARG 42 2HH1 ARG 42 -19.417 -11.976 6.371 336 1HH2 ARG 42 1HH2 ARG 42 -20.489 -9.565 4.038 337 2HH2 ARG 42 2HH2 ARG 42 -18.964 -8.749 3.961 338 H GLU 43 H GLU 43 -12.978 -7.012 3.415 339 HA GLU 43 HA GLU 43 -13.017 -9.557 2.064 340 1HB GLU 43 1HB GLU 43 -12.949 -6.703 0.986 341 2HB GLU 43 2HB GLU 43 -13.081 -8.138 -0.010 342 1HG GLU 43 1HG GLU 43 -15.067 -8.194 2.145 343 2HG GLU 43 2HG GLU 43 -15.203 -6.713 1.217 344 H GLN 44 H GLN 44 -11.049 -6.578 1.416 345 HA GLN 44 HA GLN 44 -8.638 -7.948 1.988 346 1HB GLN 44 1HB GLN 44 -9.660 -8.377 -0.588 347 2HB GLN 44 2HB GLN 44 -8.491 -7.093 -0.826 348 1HG GLN 44 1HG GLN 44 -6.690 -8.434 -0.282 349 2HG GLN 44 2HG GLN 44 -7.573 -9.309 0.953 350 1HE2 GLN 44 1HE2 GLN 44 -6.188 -10.955 -0.308 351 2HE2 GLN 44 2HE2 GLN 44 -6.995 -11.834 -1.564 352 HA PRO 45 HA PRO 45 -8.220 -3.553 2.464 353 1HB PRO 45 1HB PRO 45 -6.459 -3.635 4.552 354 2HB PRO 45 2HB PRO 45 -8.198 -3.627 4.765 355 1HG PRO 45 1HG PRO 45 -6.306 -5.879 5.053 356 2HG PRO 45 2HG PRO 45 -7.944 -5.738 5.660 357 1HD PRO 45 1HD PRO 45 -7.084 -7.252 3.381 358 2HD PRO 45 2HD PRO 45 -8.734 -7.015 3.919 359 H GLU 46 H GLU 46 -6.961 -2.118 1.415 360 HA GLU 46 HA GLU 46 -4.958 -3.156 -0.160 361 1HB GLU 46 1HB GLU 46 -6.098 -1.081 -0.730 362 2HB GLU 46 2HB GLU 46 -5.529 -0.300 0.732 363 1HG GLU 46 1HG GLU 46 -3.258 -1.375 -0.749 364 2HG GLU 46 2HG GLU 46 -4.234 -0.379 -1.810 365 H HIS 47 H HIS 47 -4.579 -0.898 2.677 366 HA HIS 47 HA HIS 47 -1.938 -0.827 2.912 367 1HB HIS 47 1HB HIS 47 -2.216 -0.270 5.166 368 2HB HIS 47 2HB HIS 47 -3.725 0.191 4.405 369 HD1 HIS 47 1HD HIS 47 -5.844 -1.345 4.895 370 HD2 HIS 47 2HD HIS 47 -2.415 -2.241 7.140 371 HE1 HIS 47 1HE HIS 47 -6.617 -2.834 6.818 372 H LEU 48 H LEU 48 -4.000 -3.661 3.452 373 HA LEU 48 HA LEU 48 -2.028 -5.171 4.821 374 1HB LEU 48 1HB LEU 48 -4.758 -5.472 3.908 375 2HB LEU 48 2HB LEU 48 -3.825 -6.916 3.570 376 HG LEU 48 HG LEU 48 -4.835 -7.241 5.682 377 1HD1 LEU 48 1HD1 LEU 48 -2.124 -6.379 6.616 378 2HD1 LEU 48 2HD1 LEU 48 -3.032 -7.874 6.950 379 3HD1 LEU 48 3HD1 LEU 48 -2.254 -7.640 5.367 380 1HD2 LEU 48 1HD2 LEU 48 -5.224 -5.690 7.276 381 2HD2 LEU 48 2HD2 LEU 48 -3.646 -4.898 7.053 382 3HD2 LEU 48 3HD2 LEU 48 -4.979 -4.561 5.923 383 H ARG 49 H ARG 49 -3.264 -5.193 1.404 384 HA ARG 49 HA ARG 49 -1.715 -7.105 0.397 385 1HB ARG 49 1HB ARG 49 -2.184 -6.186 -1.722 386 2HB ARG 49 2HB ARG 49 -3.422 -5.435 -0.736 387 1HG ARG 49 1HG ARG 49 -1.684 -3.505 -0.379 388 2HG ARG 49 2HG ARG 49 -0.827 -4.209 -1.735 389 1HD ARG 49 1HD ARG 49 -3.668 -3.101 -1.723 390 2HD ARG 49 2HD ARG 49 -2.295 -2.488 -2.621 391 HE ARG 49 HE ARG 49 -3.015 -5.283 -3.228 392 1HH1 ARG 49 1HH1 ARG 49 -4.091 -4.440 -6.439 393 2HH1 ARG 49 2HH1 ARG 49 -3.695 -5.737 -5.361 394 1HH2 ARG 49 1HH2 ARG 49 -3.932 -2.240 -5.715 395 2HH2 ARG 49 2HH2 ARG 49 -3.417 -1.897 -4.097 396 H SER 50 H SER 50 -0.757 -3.759 1.256 397 HA SER 50 HA SER 50 1.838 -4.115 0.101 398 1HB SER 50 1HB SER 50 0.355 -1.883 1.473 399 2HB SER 50 2HB SER 50 2.106 -1.810 1.464 400 HG SER 50 HG SER 50 1.053 -2.475 -1.036 401 H TRP 51 H TRP 51 0.225 -4.194 3.294 402 HA TRP 51 HA TRP 51 2.630 -4.219 4.803 403 1HB TRP 51 1HB TRP 51 -0.269 -4.542 5.308 404 2HB TRP 51 2HB TRP 51 0.800 -5.332 6.450 405 HD1 TRP 51 HD TRP 51 0.908 -3.729 8.513 406 HE1 TRP 51 1HE TRP 51 1.329 -1.170 9.006 407 HE3 TRP 51 3HE TRP 51 1.077 -2.278 3.642 408 HZ2 TRP 51 2HZ TRP 51 1.677 1.121 7.341 409 HZ3 TRP 51 3HZ TRP 51 1.460 0.138 3.163 410 HH2 TRP 51 HH TRP 51 1.756 1.813 4.918 411 H PHE 52 H PHE 52 1.231 -6.396 2.609 412 HA PHE 52 HA PHE 52 2.346 -8.706 4.028 413 1HB PHE 52 1HB PHE 52 0.004 -8.106 2.314 414 2HB PHE 52 2HB PHE 52 0.916 -9.452 1.661 415 HD1 PHE 52 1HD PHE 52 0.047 -8.408 5.145 416 HD2 PHE 52 2HD PHE 52 -0.106 -11.443 2.184 417 HE1 PHE 52 1HE PHE 52 -1.057 -9.954 6.786 418 HE2 PHE 52 2HE PHE 52 -1.211 -12.989 3.824 419 HZ PHE 52 HZ PHE 52 -1.673 -12.225 6.105 420 H ARG 53 H ARG 53 2.368 -6.810 0.982 421 HA ARG 53 HA ARG 53 4.410 -8.590 -0.028 422 1HB ARG 53 1HB ARG 53 2.272 -7.254 -1.261 423 2HB ARG 53 2HB ARG 53 3.652 -6.276 -1.719 424 1HG ARG 53 1HG ARG 53 4.386 -7.850 -3.185 425 2HG ARG 53 2HG ARG 53 4.326 -9.106 -1.963 426 1HD ARG 53 1HD ARG 53 2.765 -9.834 -3.606 427 2HD ARG 53 2HD ARG 53 1.756 -9.146 -2.349 428 HE ARG 53 HE ARG 53 2.341 -7.020 -4.106 429 1HH1 ARG 53 1HH1 ARG 53 -0.242 -7.493 -6.404 430 2HH1 ARG 53 2HH1 ARG 53 0.921 -6.374 -5.776 431 1HH2 ARG 53 1HH2 ARG 53 -0.358 -9.649 -5.551 432 2HH2 ARG 53 2HH2 ARG 53 0.719 -10.138 -4.285 433 H GLU 54 H GLU 54 4.269 -5.996 2.006 434 HA GLU 54 HA GLU 54 5.730 -3.976 1.163 435 1HB GLU 54 1HB GLU 54 6.162 -3.512 3.392 436 2HB GLU 54 2HB GLU 54 4.913 -4.725 3.582 437 1HG GLU 54 1HG GLU 54 7.917 -5.281 3.646 438 2HG GLU 54 2HG GLU 54 6.891 -5.152 5.060 439 H ARG 55 H ARG 55 6.881 -7.304 1.593 440 HA ARG 55 HA ARG 55 9.604 -6.648 1.555 441 1HB ARG 55 1HB ARG 55 8.039 -8.973 1.933 442 2HB ARG 55 2HB ARG 55 8.956 -9.317 0.479 443 1HG ARG 55 1HG ARG 55 10.776 -8.083 2.321 444 2HG ARG 55 2HG ARG 55 9.873 -9.275 3.234 445 1HD ARG 55 1HD ARG 55 10.976 -10.994 2.231 446 2HD ARG 55 2HD ARG 55 10.615 -10.377 0.632 447 HE ARG 55 HE ARG 55 12.807 -9.611 0.539 448 1HH1 ARG 55 1HH1 ARG 55 15.059 -8.656 3.029 449 2HH1 ARG 55 2HH1 ARG 55 14.825 -8.881 1.327 450 1HH2 ARG 55 1HH2 ARG 55 13.325 -9.094 4.508 451 2HH2 ARG 55 2HH2 ARG 55 11.796 -9.648 3.910 452 H LEU 56 H LEU 56 9.420 -5.061 -0.334 453 HA LEU 56 HA LEU 56 9.979 -4.553 -2.413 454 1HB LEU 56 1HB LEU 56 11.502 -6.590 -2.084 455 2HB LEU 56 2HB LEU 56 10.342 -7.469 -3.059 456 HG LEU 56 HG LEU 56 11.657 -4.928 -4.033 457 1HD1 LEU 56 1HD1 LEU 56 13.332 -6.251 -5.165 458 2HD1 LEU 56 2HD1 LEU 56 13.399 -6.575 -3.416 459 3HD1 LEU 56 3HD1 LEU 56 12.639 -7.755 -4.511 460 1HD2 LEU 56 1HD2 LEU 56 9.913 -7.036 -5.224 461 2HD2 LEU 56 2HD2 LEU 56 9.932 -5.275 -5.482 462 3HD2 LEU 56 3HD2 LEU 56 11.167 -6.300 -6.252 463 H ILE 57 H ILE 57 8.153 -3.664 -3.260 464 HA ILE 57 HA ILE 57 6.250 -5.561 -4.450 465 HB ILE 57 HB ILE 57 5.081 -4.701 -2.653 466 1HG1 ILE 57 1HG1 ILE 57 3.324 -3.387 -3.585 467 2HG1 ILE 57 2HG1 ILE 57 4.379 -2.688 -4.797 468 1HG2 ILE 57 1HG2 ILE 57 6.025 -3.030 -1.522 469 2HG2 ILE 57 2HG2 ILE 57 6.845 -2.397 -2.970 470 3HG2 ILE 57 3HG2 ILE 57 5.160 -1.935 -2.626 471 1HD1 ILE 57 1HD1 ILE 57 3.630 -5.643 -4.611 472 2HD1 ILE 57 2HD1 ILE 57 2.962 -4.472 -5.774 473 3HD1 ILE 57 3HD1 ILE 57 4.683 -4.920 -5.851 474 H ALA 58 H ALA 58 6.184 -2.002 -4.684 475 HA ALA 58 HA ALA 58 7.668 -1.823 -7.067 476 1HB ALA 58 1HB ALA 58 4.962 -2.811 -7.331 477 2HB ALA 58 2HB ALA 58 5.089 -1.201 -8.083 478 3HB ALA 58 3HB ALA 58 6.177 -2.513 -8.599 479 H HIS 59 H HIS 59 7.700 -0.466 -4.628 480 HA HIS 59 HA HIS 59 7.706 1.555 -3.778 481 1HB HIS 59 1HB HIS 59 7.105 2.566 -6.570 482 2HB HIS 59 2HB HIS 59 7.793 3.488 -5.248 483 HD1 HIS 59 1HD HIS 59 8.796 1.753 -8.209 484 HD2 HIS 59 2HD HIS 59 10.412 2.157 -4.358 485 HE1 HIS 59 1HE HIS 59 11.268 1.152 -8.405 486 H ARG 60 H ARG 60 6.180 3.882 -4.120 487 HA ARG 60 HA ARG 60 3.619 2.824 -3.331 488 1HB ARG 60 1HB ARG 60 5.055 4.640 -2.055 489 2HB ARG 60 2HB ARG 60 4.418 5.760 -3.244 490 1HG ARG 60 1HG ARG 60 2.465 3.942 -1.836 491 2HG ARG 60 2HG ARG 60 3.140 5.277 -0.924 492 1HD ARG 60 1HD ARG 60 2.216 6.024 -3.655 493 2HD ARG 60 2HD ARG 60 0.936 5.460 -2.598 494 HE ARG 60 HE ARG 60 2.300 7.221 -0.977 495 1HH1 ARG 60 1HH1 ARG 60 1.202 10.322 -2.141 496 2HH1 ARG 60 2HH1 ARG 60 1.901 9.465 -0.808 497 1HH2 ARG 60 1HH2 ARG 60 0.673 9.192 -4.098 498 2HH2 ARG 60 2HH2 ARG 60 0.977 7.491 -4.225 499 H LEU 61 H LEU 61 1.694 3.212 -4.477 500 HA LEU 61 HA LEU 61 1.328 5.291 -6.284 501 1HB LEU 61 1HB LEU 61 3.048 3.433 -7.357 502 2HB LEU 61 2HB LEU 61 1.497 2.907 -7.980 503 HG LEU 61 HG LEU 61 2.098 5.812 -8.212 504 1HD1 LEU 61 1HD1 LEU 61 4.268 4.847 -8.767 505 2HD1 LEU 61 2HD1 LEU 61 3.496 3.745 -9.933 506 3HD1 LEU 61 3HD1 LEU 61 3.472 5.501 -10.217 507 1HD2 LEU 61 1HD2 LEU 61 0.308 5.663 -9.509 508 2HD2 LEU 61 2HD2 LEU 61 1.236 4.652 -10.643 509 3HD2 LEU 61 3HD2 LEU 61 0.292 3.891 -9.341 510 H ALA 62 H ALA 62 -0.733 4.859 -7.653 511 HA ALA 62 HA ALA 62 -2.362 2.673 -6.873 512 1HB ALA 62 1HB ALA 62 -4.021 3.940 -5.575 513 2HB ALA 62 2HB ALA 62 -2.434 3.993 -4.772 514 3HB ALA 62 3HB ALA 62 -3.015 5.403 -5.690 515 H SER 63 H SER 63 -3.105 6.168 -7.501 516 HA SER 63 HA SER 63 -3.902 7.183 -9.257 517 1HB SER 63 1HB SER 63 -2.519 4.973 -10.467 518 2HB SER 63 2HB SER 63 -4.037 5.167 -11.320 519 HG SER 63 HG SER 63 -2.609 6.549 -12.346 520 H VAL 64 H VAL 64 -5.382 5.152 -7.410 521 HA VAL 64 HA VAL 64 -7.637 4.423 -9.076 522 HB VAL 64 HB VAL 64 -7.000 4.019 -6.148 523 1HG1 VAL 64 1HG1 VAL 64 -9.149 3.522 -5.826 524 2HG1 VAL 64 2HG1 VAL 64 -9.513 3.809 -7.544 525 3HG1 VAL 64 3HG1 VAL 64 -8.988 2.197 -7.003 526 1HG2 VAL 64 1HG2 VAL 64 -5.699 2.370 -6.914 527 2HG2 VAL 64 2HG2 VAL 64 -7.186 1.552 -7.453 528 3HG2 VAL 64 3HG2 VAL 64 -6.283 2.592 -8.581 529 H ASN 65 H ASN 65 -8.400 5.319 -5.810 530 HA ASN 65 HA ASN 65 -10.198 7.266 -6.768 531 1HB ASN 65 1HB ASN 65 -10.293 5.664 -4.635 532 2HB ASN 65 2HB ASN 65 -9.436 6.970 -3.842 533 1HD2 ASN 65 1HD2 ASN 65 -12.215 5.818 -3.657 534 2HD2 ASN 65 2HD2 ASN 65 -13.291 7.171 -3.754 535 H LEU 66 H LEU 66 -7.559 7.403 -4.244 536 HA LEU 66 HA LEU 66 -6.110 8.972 -3.687 537 1HB LEU 66 1HB LEU 66 -5.644 8.799 -6.188 538 2HB LEU 66 2HB LEU 66 -6.562 10.282 -6.361 539 HG LEU 66 HG LEU 66 -4.923 11.266 -4.609 540 1HD1 LEU 66 1HD1 LEU 66 -2.715 10.253 -4.535 541 2HD1 LEU 66 2HD1 LEU 66 -3.941 9.119 -3.921 542 3HD1 LEU 66 3HD1 LEU 66 -3.273 8.907 -5.557 543 1HD2 LEU 66 1HD2 LEU 66 -3.352 10.798 -7.049 544 2HD2 LEU 66 2HD2 LEU 66 -5.026 11.325 -7.345 545 3HD2 LEU 66 3HD2 LEU 66 -3.948 12.314 -6.331 546 H SER 67 H SER 67 -7.615 9.624 -2.021 547 HA SER 67 HA SER 67 -9.299 11.861 -2.696 548 1HB SER 67 1HB SER 67 -8.923 10.337 -0.079 549 2HB SER 67 2HB SER 67 -10.099 11.612 -0.326 550 HG SER 67 HG SER 67 -10.072 8.948 -1.327 551 H ARG 68 H ARG 68 -9.303 13.755 -1.002 552 HA ARG 68 HA ARG 68 -7.016 14.216 0.488 553 1HB ARG 68 1HB ARG 68 -6.302 14.494 -2.095 554 2HB ARG 68 2HB ARG 68 -7.029 16.076 -1.897 555 1HG ARG 68 1HG ARG 68 -5.191 15.261 0.309 556 2HG ARG 68 2HG ARG 68 -4.418 15.474 -1.249 557 1HD ARG 68 1HD ARG 68 -6.302 17.570 -0.081 558 2HD ARG 68 2HD ARG 68 -4.583 17.569 0.263 559 HE ARG 68 HE ARG 68 -4.120 18.048 -2.054 560 1HH1 ARG 68 1HH1 ARG 68 -6.417 19.386 -4.313 561 2HH1 ARG 68 2HH1 ARG 68 -4.740 19.113 -3.977 562 1HH2 ARG 68 1HH2 ARG 68 -8.034 18.670 -2.810 563 2HH2 ARG 68 2HH2 ARG 68 -7.562 17.862 -1.351 564 H LEU 69 H LEU 69 -7.677 15.696 2.032 565 HA LEU 69 HA LEU 69 -10.127 17.141 1.508 566 1HB LEU 69 1HB LEU 69 -10.099 17.611 3.880 567 2HB LEU 69 2HB LEU 69 -9.918 15.897 3.563 568 HG LEU 69 HG LEU 69 -7.347 17.286 3.848 569 1HD1 LEU 69 1HD1 LEU 69 -9.189 18.371 5.491 570 2HD1 LEU 69 2HD1 LEU 69 -8.683 16.976 6.474 571 3HD1 LEU 69 3HD1 LEU 69 -7.475 18.162 5.924 572 1HD2 LEU 69 1HD2 LEU 69 -7.372 15.327 5.712 573 2HD2 LEU 69 2HD2 LEU 69 -8.629 14.730 4.603 574 3HD2 LEU 69 3HD2 LEU 69 -6.992 15.067 3.993 575 HA PRO 70 HA PRO 70 -8.193 20.928 0.771 576 1HB PRO 70 1HB PRO 70 -10.137 22.698 1.518 577 2HB PRO 70 2HB PRO 70 -10.145 21.857 -0.020 578 1HG PRO 70 1HG PRO 70 -11.801 21.354 2.376 579 2HG PRO 70 2HG PRO 70 -12.072 20.832 0.725 580 1HD PRO 70 1HD PRO 70 -11.095 19.228 2.894 581 2HD PRO 70 2HD PRO 70 -11.256 18.740 1.218 582 H TYR 71 H TYR 71 -7.279 22.942 1.629 583 HA TYR 71 HA TYR 71 -7.456 23.335 4.434 584 1HB TYR 71 1HB TYR 71 -5.768 21.263 3.541 585 2HB TYR 71 2HB TYR 71 -4.665 22.626 3.574 586 HD1 TYR 71 1HD TYR 71 -3.428 22.882 5.512 587 HD2 TYR 71 2HD TYR 71 -7.343 21.179 5.786 588 HE1 TYR 71 1HE TYR 71 -3.123 22.566 8.016 589 HE2 TYR 71 2HE TYR 71 -7.026 20.870 8.289 590 HH TYR 71 HH TYR 71 -5.086 20.590 9.834 591 H GLU 72 H GLU 72 -6.451 25.300 5.082 592 HA GLU 72 HA GLU 72 -4.581 26.623 3.545 593 1HB GLU 72 1HB GLU 72 -6.918 26.719 2.172 594 2HB GLU 72 2HB GLU 72 -7.163 28.110 3.210 595 1HG GLU 72 1HG GLU 72 -4.680 27.668 1.484 596 2HG GLU 72 2HG GLU 72 -6.040 28.669 1.017 597 HA PRO 73 HA PRO 73 -5.110 28.272 7.649 598 1HB PRO 73 1HB PRO 73 -2.453 28.608 8.192 599 2HB PRO 73 2HB PRO 73 -3.325 27.132 8.556 600 1HG PRO 73 1HG PRO 73 -1.398 27.657 6.376 601 2HG PRO 73 2HG PRO 73 -1.945 26.118 7.010 602 1HD PRO 73 1HD PRO 73 -2.776 27.358 4.562 603 2HD PRO 73 2HD PRO 73 -3.408 25.877 5.253 604 H LYS 74 H LYS 74 -4.170 30.309 8.809 605 HA LYS 74 HA LYS 74 -3.124 32.317 7.196 606 1HB LYS 74 1HB LYS 74 -5.418 31.991 6.099 607 2HB LYS 74 2HB LYS 74 -6.103 32.684 7.555 608 1HG LYS 74 1HG LYS 74 -3.828 34.261 6.520 609 2HG LYS 74 2HG LYS 74 -5.128 34.117 5.353 610 1HD LYS 74 1HD LYS 74 -6.758 34.981 6.988 611 2HD LYS 74 2HD LYS 74 -5.543 34.990 8.251 612 1HE LYS 74 2HE LYS 74 -4.195 36.641 6.879 613 2HE LYS 74 3HE LYS 74 -5.500 36.687 5.709 614 1HZ LYS 74 1HZ LYS 74 -5.376 37.838 8.329 615 2HZ LYS 74 2HZ LYS 74 -6.211 38.327 7.014 616 3HZ LYS 74 3HZ LYS 74 -6.808 37.142 7.966 617 H LEU 75 H LEU 75 -2.814 34.289 8.405 618 HA LEU 75 HA LEU 75 -4.011 34.861 10.817 619 1HB LEU 75 1HB LEU 75 -2.534 32.574 11.136 620 2HB LEU 75 2HB LEU 75 -1.392 33.808 11.626 621 HG LEU 75 HG LEU 75 -2.631 32.898 13.528 622 1HD1 LEU 75 1HD1 LEU 75 -1.874 35.041 13.981 623 2HD1 LEU 75 2HD1 LEU 75 -2.983 35.796 12.812 624 3HD1 LEU 75 3HD1 LEU 75 -3.611 35.156 14.349 625 1HD2 LEU 75 1HD2 LEU 75 -5.001 33.204 13.823 626 2HD2 LEU 75 2HD2 LEU 75 -5.125 34.076 12.277 627 3HD2 LEU 75 3HD2 LEU 75 -4.712 32.346 12.290 628 H LYS 76 H LYS 76 -3.845 36.990 10.205 629 HA LYS 76 HA LYS 76 -2.904 38.893 9.522 630 1HB LYS 76 1HB LYS 76 -2.294 38.458 12.039 631 2HB LYS 76 2HB LYS 76 -0.655 38.327 11.436 632 1HG LYS 76 1HG LYS 76 -2.202 40.659 10.390 633 2HG LYS 76 2HG LYS 76 -1.868 40.703 12.110 634 1HD LYS 76 1HD LYS 76 0.465 40.766 11.803 635 2HD LYS 76 2HD LYS 76 0.390 39.986 10.236 636 1HE LYS 76 2HE LYS 76 0.776 42.154 9.518 637 2HE LYS 76 3HE LYS 76 -0.974 42.214 9.580 638 1HZ LYS 76 1HZ LYS 76 -0.793 43.781 11.091 639 2HZ LYS 76 2HZ LYS 76 -0.017 42.773 12.116 640 3HZ LYS 76 3HZ LYS 76 0.838 43.691 11.070 Start of MODEL 4 1 H MET 1 H MET 1 16.963 4.267 0.329 2 HA MET 1 HA MET 1 18.458 2.684 -1.413 3 1HB MET 1 1HB MET 1 19.126 5.051 0.410 4 2HB MET 1 2HB MET 1 20.315 4.365 -0.680 5 1HG MET 1 1HG MET 1 19.415 5.451 -2.466 6 2HG MET 1 2HG MET 1 17.815 4.830 -2.115 7 1HE MET 1 1HE MET 1 20.078 8.385 -1.104 8 2HE MET 1 2HE MET 1 20.002 7.358 -2.556 9 3HE MET 1 3HE MET 1 18.934 8.775 -2.411 10 H LEU 2 H LEU 2 19.263 3.648 2.007 11 HA LEU 2 HA LEU 2 19.893 0.978 2.726 12 1HB LEU 2 1HB LEU 2 22.199 0.995 2.813 13 2HB LEU 2 2HB LEU 2 21.829 1.676 1.241 14 HG LEU 2 HG LEU 2 23.624 2.934 2.143 15 1HD1 LEU 2 1HD1 LEU 2 22.797 5.156 2.083 16 2HD1 LEU 2 2HD1 LEU 2 21.736 4.189 1.031 17 3HD1 LEU 2 3HD1 LEU 2 21.190 4.654 2.661 18 1HD2 LEU 2 1HD2 LEU 2 22.790 2.207 4.595 19 2HD2 LEU 2 2HD2 LEU 2 23.942 3.531 4.299 20 3HD2 LEU 2 3HD2 LEU 2 22.221 3.893 4.575 21 H LYS 3 H LYS 3 20.761 0.918 5.026 22 HA LYS 3 HA LYS 3 20.585 3.358 6.506 23 1HB LYS 3 1HB LYS 3 18.228 1.609 6.258 24 2HB LYS 3 2HB LYS 3 18.685 1.950 7.914 25 1HG LYS 3 1HG LYS 3 18.793 4.329 6.138 26 2HG LYS 3 2HG LYS 3 17.190 3.637 6.287 27 1HD LYS 3 1HD LYS 3 17.003 4.752 8.256 28 2HD LYS 3 2HD LYS 3 18.140 3.600 8.926 29 1HE LYS 3 2HE LYS 3 19.578 5.322 9.274 30 2HE LYS 3 3HE LYS 3 19.767 5.449 7.536 31 1HZ LYS 3 1HZ LYS 3 18.860 7.433 7.783 32 2HZ LYS 3 2HZ LYS 3 17.424 6.694 8.024 33 3HZ LYS 3 3HZ LYS 3 18.339 7.140 9.301 34 H ASN 4 H ASN 4 19.976 -0.169 7.145 35 HA ASN 4 HA ASN 4 21.003 -1.604 8.402 36 1HB ASN 4 1HB ASN 4 22.940 -1.176 6.865 37 2HB ASN 4 2HB ASN 4 23.486 0.124 7.906 38 1HD2 ASN 4 1HD2 ASN 4 22.708 -3.331 7.854 39 2HD2 ASN 4 2HD2 ASN 4 23.864 -3.844 9.038 40 H LEU 5 H LEU 5 20.280 -1.450 10.545 41 HA LEU 5 HA LEU 5 21.885 -0.196 12.473 42 1HB LEU 5 1HB LEU 5 19.941 1.502 11.225 43 2HB LEU 5 2HB LEU 5 19.474 1.228 12.892 44 HG LEU 5 HG LEU 5 22.306 1.813 12.734 45 1HD1 LEU 5 1HD1 LEU 5 22.473 3.719 11.545 46 2HD1 LEU 5 2HD1 LEU 5 21.078 3.051 10.665 47 3HD1 LEU 5 3HD1 LEU 5 20.825 4.252 11.954 48 1HD2 LEU 5 1HD2 LEU 5 21.874 2.863 14.660 49 2HD2 LEU 5 2HD2 LEU 5 20.530 3.800 13.965 50 3HD2 LEU 5 3HD2 LEU 5 20.256 2.134 14.526 51 H ALA 6 H ALA 6 21.060 -2.798 12.108 52 HA ALA 6 HA ALA 6 19.985 -4.495 13.045 53 1HB ALA 6 1HB ALA 6 19.362 -3.814 15.612 54 2HB ALA 6 2HB ALA 6 21.000 -4.254 15.072 55 3HB ALA 6 3HB ALA 6 20.540 -2.540 15.215 56 H LYS 7 H LYS 7 18.184 -4.213 11.513 57 HA LYS 7 HA LYS 7 15.905 -2.722 12.395 58 1HB LYS 7 1HB LYS 7 14.875 -3.830 10.337 59 2HB LYS 7 2HB LYS 7 16.214 -2.731 10.075 60 1HG LYS 7 1HG LYS 7 17.752 -4.494 9.646 61 2HG LYS 7 2HG LYS 7 16.753 -5.693 10.442 62 1HD LYS 7 1HD LYS 7 15.378 -5.990 8.598 63 2HD LYS 7 2HD LYS 7 15.505 -4.316 8.093 64 1HE LYS 7 2HE LYS 7 16.661 -5.847 6.498 65 2HE LYS 7 3HE LYS 7 17.776 -4.698 7.212 66 1HZ LYS 7 1HZ LYS 7 18.882 -6.622 7.537 67 2HZ LYS 7 2HZ LYS 7 18.038 -6.613 8.935 68 3HZ LYS 7 3HZ LYS 7 17.543 -7.545 7.689 69 H LEU 8 H LEU 8 16.951 -6.162 12.283 70 HA LEU 8 HA LEU 8 15.911 -8.015 12.985 71 1HB LEU 8 1HB LEU 8 16.520 -6.225 15.114 72 2HB LEU 8 2HB LEU 8 15.049 -7.078 15.538 73 HG LEU 8 HG LEU 8 17.118 -8.859 14.467 74 1HD1 LEU 8 1HD1 LEU 8 17.828 -6.923 16.594 75 2HD1 LEU 8 2HD1 LEU 8 18.235 -8.627 16.913 76 3HD1 LEU 8 3HD1 LEU 8 18.860 -7.821 15.455 77 1HD2 LEU 8 1HD2 LEU 8 15.095 -8.791 16.633 78 2HD2 LEU 8 2HD2 LEU 8 15.516 -10.084 15.484 79 3HD2 LEU 8 3HD2 LEU 8 16.531 -9.802 16.920 80 H ASP 9 H ASP 9 14.192 -7.694 11.295 81 HA ASP 9 HA ASP 9 12.115 -7.856 10.696 82 1HB ASP 9 1HB ASP 9 11.884 -8.360 13.648 83 2HB ASP 9 2HB ASP 9 10.393 -7.992 12.806 84 H GLN 10 H GLN 10 12.923 -5.339 10.459 85 HA GLN 10 HA GLN 10 11.069 -3.684 11.974 86 1HB GLN 10 1HB GLN 10 13.699 -3.303 11.802 87 2HB GLN 10 2HB GLN 10 13.293 -2.554 10.270 88 1HG GLN 10 1HG GLN 10 11.406 -1.562 12.187 89 2HG GLN 10 2HG GLN 10 12.980 -1.485 12.953 90 1HE2 GLN 10 1HE2 GLN 10 11.097 -0.562 10.132 91 2HE2 GLN 10 2HE2 GLN 10 12.044 0.805 9.648 92 H THR 11 H THR 11 11.336 -5.310 9.050 93 HA THR 11 HA THR 11 10.542 -3.380 7.177 94 HB THR 11 HB THR 11 10.368 -6.413 7.420 95 HG1 THR 11 1HG THR 11 12.412 -5.741 6.784 96 1HG2 THR 11 1HG2 THR 11 9.933 -6.240 4.859 97 2HG2 THR 11 2HG2 THR 11 8.529 -5.982 5.921 98 3HG2 THR 11 3HG2 THR 11 9.359 -4.588 5.190 99 H GLU 12 H GLU 12 8.588 -5.649 9.212 100 HA GLU 12 HA GLU 12 6.174 -4.665 8.179 101 1HB GLU 12 1HB GLU 12 6.620 -6.922 9.333 102 2HB GLU 12 2HB GLU 12 6.565 -6.060 10.857 103 1HG GLU 12 1HG GLU 12 4.259 -5.145 10.066 104 2HG GLU 12 2HG GLU 12 4.331 -6.364 8.809 105 H MET 13 H MET 13 8.470 -3.407 10.433 106 HA MET 13 HA MET 13 6.649 -2.047 12.096 107 1HB MET 13 1HB MET 13 9.540 -2.380 11.764 108 2HB MET 13 2HB MET 13 9.182 -0.685 12.018 109 1HG MET 13 1HG MET 13 7.714 -2.555 13.826 110 2HG MET 13 2HG MET 13 9.452 -2.531 14.048 111 1HE MET 13 1HE MET 13 10.331 0.226 15.893 112 2HE MET 13 2HE MET 13 9.214 -0.852 16.763 113 3HE MET 13 3HE MET 13 10.328 -1.519 15.544 114 H ASP 14 H ASP 14 8.359 -1.297 9.041 115 HA ASP 14 HA ASP 14 7.846 1.444 9.111 116 1HB ASP 14 1HB ASP 14 9.524 0.206 7.640 117 2HB ASP 14 2HB ASP 14 8.180 -0.351 6.664 118 H LYS 15 H LYS 15 6.028 -1.457 8.133 119 HA LYS 15 HA LYS 15 4.037 0.066 6.703 120 1HB LYS 15 1HB LYS 15 4.765 -2.769 7.051 121 2HB LYS 15 2HB LYS 15 3.039 -2.479 6.989 122 1HG LYS 15 1HG LYS 15 4.136 -2.863 4.722 123 2HG LYS 15 2HG LYS 15 3.187 -1.393 4.839 124 1HD LYS 15 1HD LYS 15 5.987 -0.970 5.667 125 2HD LYS 15 2HD LYS 15 5.873 -1.578 4.027 126 1HE LYS 15 2HE LYS 15 4.707 0.302 3.253 127 2HE LYS 15 3HE LYS 15 3.992 0.641 4.816 128 1HZ LYS 15 1HZ LYS 15 5.750 2.191 4.187 129 2HZ LYS 15 2HZ LYS 15 6.087 1.425 5.590 130 3HZ LYS 15 3HZ LYS 15 6.847 0.981 4.215 131 H VAL 16 H VAL 16 4.531 -1.483 9.893 132 HA VAL 16 HA VAL 16 1.867 -1.266 10.747 133 HB VAL 16 HB VAL 16 4.472 -1.984 11.806 134 1HG1 VAL 16 1HG1 VAL 16 2.558 -0.583 13.703 135 2HG1 VAL 16 2HG1 VAL 16 4.010 -1.499 14.173 136 3HG1 VAL 16 3HG1 VAL 16 4.170 -0.005 13.220 137 1HG2 VAL 16 1HG2 VAL 16 3.048 -3.513 13.192 138 2HG2 VAL 16 2HG2 VAL 16 1.611 -2.739 12.483 139 3HG2 VAL 16 3HG2 VAL 16 2.750 -3.627 11.442 140 H ASN 17 H ASN 17 4.204 1.119 9.992 141 HA ASN 17 HA ASN 17 3.289 2.970 11.971 142 1HB ASN 17 1HB ASN 17 5.597 3.233 11.364 143 2HB ASN 17 2HB ASN 17 5.259 3.076 9.651 144 1HD2 ASN 17 1HD2 ASN 17 3.960 4.761 8.628 145 2HD2 ASN 17 2HD2 ASN 17 4.121 6.405 9.150 146 H VAL 18 H VAL 18 3.507 2.950 8.322 147 HA VAL 18 HA VAL 18 1.787 5.060 7.886 148 HB VAL 18 HB VAL 18 2.468 2.629 6.227 149 1HG1 VAL 18 1HG1 VAL 18 0.456 3.365 5.258 150 2HG1 VAL 18 2HG1 VAL 18 0.843 5.080 5.533 151 3HG1 VAL 18 3HG1 VAL 18 1.725 4.158 4.293 152 1HG2 VAL 18 1HG2 VAL 18 3.874 4.356 5.001 153 2HG2 VAL 18 2HG2 VAL 18 3.552 5.455 6.364 154 3HG2 VAL 18 3HG2 VAL 18 4.419 3.924 6.641 155 H ASP 19 H ASP 19 1.139 1.839 9.040 156 HA ASP 19 HA ASP 19 -1.361 1.402 8.038 157 1HB ASP 19 1HB ASP 19 0.042 -0.166 9.456 158 2HB ASP 19 2HB ASP 19 -0.380 0.787 10.865 159 H LEU 20 H LEU 20 -0.167 3.700 10.439 160 HA LEU 20 HA LEU 20 -2.798 4.182 11.543 161 1HB LEU 20 1HB LEU 20 -0.102 4.532 12.377 162 2HB LEU 20 2HB LEU 20 -0.855 6.114 12.344 163 HG LEU 20 HG LEU 20 -2.604 4.164 13.603 164 1HD1 LEU 20 1HD1 LEU 20 -0.565 2.990 14.191 165 2HD1 LEU 20 2HD1 LEU 20 0.156 4.495 14.811 166 3HD1 LEU 20 3HD1 LEU 20 -1.254 3.781 15.630 167 1HD2 LEU 20 1HD2 LEU 20 -1.315 6.510 14.969 168 2HD2 LEU 20 2HD2 LEU 20 -2.520 6.760 13.684 169 3HD2 LEU 20 3HD2 LEU 20 -2.959 5.851 15.150 170 H ALA 21 H ALA 21 -0.782 5.244 8.913 171 HA ALA 21 HA ALA 21 -1.674 7.896 8.715 172 1HB ALA 21 1HB ALA 21 0.125 6.202 7.413 173 2HB ALA 21 2HB ALA 21 -1.093 6.570 6.168 174 3HB ALA 21 3HB ALA 21 -0.228 7.894 6.985 175 H ALA 22 H ALA 22 -2.612 5.067 6.627 176 HA ALA 22 HA ALA 22 -5.378 5.968 6.802 177 1HB ALA 22 1HB ALA 22 -4.099 5.392 4.116 178 2HB ALA 22 2HB ALA 22 -5.658 6.178 4.460 179 3HB ALA 22 3HB ALA 22 -4.135 7.034 4.802 180 H ALA 23 H ALA 23 -6.418 4.183 4.867 181 HA ALA 23 HA ALA 23 -5.479 1.589 5.882 182 1HB ALA 23 1HB ALA 23 -8.379 2.076 5.246 183 2HB ALA 23 2HB ALA 23 -7.643 0.929 6.392 184 3HB ALA 23 3HB ALA 23 -7.730 2.660 6.797 185 H GLY 24 H GLY 24 -7.813 0.477 4.166 186 1HA GLY 24 1HA GLY 24 -6.498 0.848 1.539 187 2HA GLY 24 2HA GLY 24 -7.013 -0.713 2.148 188 H VAL 25 H VAL 25 -8.577 2.573 2.158 189 HA VAL 25 HA VAL 25 -10.833 1.328 0.742 190 HB VAL 25 HB VAL 25 -11.554 3.645 2.308 191 1HG1 VAL 25 1HG1 VAL 25 -13.460 2.471 2.576 192 2HG1 VAL 25 2HG1 VAL 25 -12.764 1.382 1.352 193 3HG1 VAL 25 3HG1 VAL 25 -12.603 0.997 3.082 194 1HG2 VAL 25 1HG2 VAL 25 -10.086 1.419 3.729 195 2HG2 VAL 25 2HG2 VAL 25 -9.886 3.179 3.897 196 3HG2 VAL 25 3HG2 VAL 25 -11.340 2.383 4.544 197 H ALA 26 H ALA 26 -10.071 4.733 1.686 198 HA ALA 26 HA ALA 26 -10.897 5.856 -0.666 199 1HB ALA 26 1HB ALA 26 -10.434 7.651 0.602 200 2HB ALA 26 2HB ALA 26 -9.516 6.630 1.735 201 3HB ALA 26 3HB ALA 26 -8.695 7.375 0.343 202 H PHE 27 H PHE 27 -8.019 3.969 0.002 203 HA PHE 27 HA PHE 27 -6.337 4.994 -1.967 204 1HB PHE 27 1HB PHE 27 -6.762 2.450 -0.386 205 2HB PHE 27 2HB PHE 27 -5.727 2.303 -1.793 206 HD1 PHE 27 1HD PHE 27 -3.519 2.239 -1.157 207 HD2 PHE 27 2HD PHE 27 -6.116 4.946 0.826 208 HE1 PHE 27 1HE PHE 27 -1.583 3.121 0.176 209 HE2 PHE 27 2HE PHE 27 -4.180 5.828 2.158 210 HZ PHE 27 HZ PHE 27 -1.937 4.904 1.817 211 H LYS 28 H LYS 28 -8.470 2.043 -2.064 212 HA LYS 28 HA LYS 28 -9.433 2.570 -4.620 213 1HB LYS 28 1HB LYS 28 -7.071 2.201 -5.292 214 2HB LYS 28 2HB LYS 28 -7.137 0.587 -4.614 215 1HG LYS 28 1HG LYS 28 -9.346 0.447 -6.184 216 2HG LYS 28 2HG LYS 28 -8.468 1.668 -7.085 217 1HD LYS 28 1HD LYS 28 -6.437 0.101 -7.042 218 2HD LYS 28 2HD LYS 28 -7.484 -1.130 -6.365 219 1HE LYS 28 2HE LYS 28 -8.301 -1.639 -8.419 220 2HE LYS 28 3HE LYS 28 -8.807 0.019 -8.673 221 1HZ LYS 28 1HZ LYS 28 -6.625 -1.311 -9.785 222 2HZ LYS 28 2HZ LYS 28 -7.173 0.192 -10.115 223 3HZ LYS 28 3HZ LYS 28 -6.067 -0.033 -8.935 224 H GLU 29 H GLU 29 -11.415 1.726 -4.278 225 HA GLU 29 HA GLU 29 -12.246 0.108 -2.414 226 1HB GLU 29 1HB GLU 29 -13.785 -0.894 -4.436 227 2HB GLU 29 2HB GLU 29 -14.036 0.680 -3.709 228 1HG GLU 29 1HG GLU 29 -13.980 0.944 -6.138 229 2HG GLU 29 2HG GLU 29 -12.558 1.711 -5.460 230 H ARG 30 H ARG 30 -10.393 -0.928 -5.286 231 HA ARG 30 HA ARG 30 -9.304 -2.748 -5.715 232 1HB ARG 30 1HB ARG 30 -8.662 -2.733 -3.270 233 2HB ARG 30 2HB ARG 30 -10.059 -3.730 -2.916 234 1HG ARG 30 1HG ARG 30 -8.790 -5.559 -3.348 235 2HG ARG 30 2HG ARG 30 -8.754 -5.080 -5.033 236 1HD ARG 30 1HD ARG 30 -6.523 -4.699 -4.862 237 2HD ARG 30 2HD ARG 30 -6.837 -3.421 -3.705 238 HE ARG 30 HE ARG 30 -6.334 -4.902 -1.928 239 1HH1 ARG 30 1HH1 ARG 30 -5.170 -8.187 -2.100 240 2HH1 ARG 30 2HH1 ARG 30 -5.408 -6.811 -1.077 241 1HH2 ARG 30 1HH2 ARG 30 -5.790 -8.094 -4.336 242 2HH2 ARG 30 2HH2 ARG 30 -6.492 -6.647 -4.979 243 H TYR 31 H TYR 31 -12.113 -3.755 -3.615 244 HA TYR 31 HA TYR 31 -12.947 -5.523 -5.816 245 1HB TYR 31 1HB TYR 31 -13.767 -6.990 -3.982 246 2HB TYR 31 2HB TYR 31 -12.092 -6.594 -3.652 247 HD1 TYR 31 1HD TYR 31 -11.514 -4.960 -1.866 248 HD2 TYR 31 2HD TYR 31 -15.546 -6.221 -2.540 249 HE1 TYR 31 1HE TYR 31 -12.181 -4.076 0.422 250 HE2 TYR 31 2HE TYR 31 -16.200 -5.334 -0.249 251 HH TYR 31 HH TYR 31 -14.569 -3.199 1.387 252 H ASN 32 H ASN 32 -13.608 -2.610 -5.250 253 HA ASN 32 HA ASN 32 -15.348 -1.324 -5.376 254 1HB ASN 32 1HB ASN 32 -16.307 -2.783 -7.079 255 2HB ASN 32 2HB ASN 32 -16.809 -3.960 -5.882 256 1HD2 ASN 32 1HD2 ASN 32 -18.944 -3.973 -6.175 257 2HD2 ASN 32 2HD2 ASN 32 -20.006 -2.624 -5.955 258 H MET 33 H MET 33 -14.653 -1.396 -2.873 259 HA MET 33 HA MET 33 -16.492 -2.711 -1.162 260 1HB MET 33 1HB MET 33 -15.200 -1.483 0.622 261 2HB MET 33 2HB MET 33 -14.133 -2.302 -0.501 262 1HG MET 33 1HG MET 33 -13.121 -0.197 -0.436 263 2HG MET 33 2HG MET 33 -14.190 0.021 -1.808 264 1HE MET 33 1HE MET 33 -14.020 2.198 -1.795 265 2HE MET 33 2HE MET 33 -15.724 2.669 -1.582 266 3HE MET 33 3HE MET 33 -14.464 3.395 -0.555 267 HA PRO 34 HA PRO 34 -19.430 0.482 -0.912 268 1HB PRO 34 1HB PRO 34 -20.756 -0.254 1.362 269 2HB PRO 34 2HB PRO 34 -21.061 -0.981 -0.204 270 1HG PRO 34 1HG PRO 34 -19.589 -2.098 2.104 271 2HG PRO 34 2HG PRO 34 -20.264 -2.938 0.721 272 1HD PRO 34 1HD PRO 34 -17.501 -2.307 1.165 273 2HD PRO 34 2HD PRO 34 -18.191 -3.041 -0.268 274 H VAL 35 H VAL 35 -20.545 1.979 0.928 275 HA VAL 35 HA VAL 35 -18.397 3.638 1.687 276 HB VAL 35 HB VAL 35 -21.285 3.637 2.586 277 1HG1 VAL 35 1HG1 VAL 35 -20.859 5.509 3.728 278 2HG1 VAL 35 2HG1 VAL 35 -19.125 5.187 3.481 279 3HG1 VAL 35 3HG1 VAL 35 -20.007 6.233 2.342 280 1HG2 VAL 35 1HG2 VAL 35 -21.912 4.583 0.635 281 2HG2 VAL 35 2HG2 VAL 35 -20.412 5.531 0.492 282 3HG2 VAL 35 3HG2 VAL 35 -20.436 3.821 -0.003 283 H ILE 36 H ILE 36 -17.402 1.438 2.702 284 HA ILE 36 HA ILE 36 -17.633 1.871 5.552 285 HB ILE 36 HB ILE 36 -18.753 -0.460 4.180 286 1HG1 ILE 36 1HG1 ILE 36 -19.036 0.341 7.076 287 2HG1 ILE 36 2HG1 ILE 36 -19.848 1.224 5.798 288 1HG2 ILE 36 1HG2 ILE 36 -16.815 -1.640 4.827 289 2HG2 ILE 36 2HG2 ILE 36 -16.750 -0.831 6.410 290 3HG2 ILE 36 3HG2 ILE 36 -18.041 -2.007 6.064 291 1HD1 ILE 36 1HD1 ILE 36 -20.191 -1.701 6.558 292 2HD1 ILE 36 2HD1 ILE 36 -21.427 -0.421 6.505 293 3HD1 ILE 36 3HD1 ILE 36 -20.750 -1.068 4.991 294 H ALA 37 H ALA 37 -15.780 0.968 6.730 295 HA ALA 37 HA ALA 37 -13.517 0.531 4.903 296 1HB ALA 37 1HB ALA 37 -13.762 2.653 6.473 297 2HB ALA 37 2HB ALA 37 -13.201 1.521 7.727 298 3HB ALA 37 3HB ALA 37 -12.192 1.834 6.295 299 H GLU 38 H GLU 38 -15.360 -0.554 7.741 300 HA GLU 38 HA GLU 38 -13.455 -2.391 8.635 301 1HB GLU 38 1HB GLU 38 -15.437 -1.481 9.939 302 2HB GLU 38 2HB GLU 38 -16.481 -2.519 8.989 303 1HG GLU 38 1HG GLU 38 -15.904 -3.611 11.129 304 2HG GLU 38 2HG GLU 38 -15.252 -4.527 9.785 305 H ALA 39 H ALA 39 -15.383 -2.301 5.807 306 HA ALA 39 HA ALA 39 -15.460 -5.216 5.593 307 1HB ALA 39 1HB ALA 39 -17.466 -3.646 5.127 308 2HB ALA 39 2HB ALA 39 -16.602 -3.206 3.635 309 3HB ALA 39 3HB ALA 39 -17.093 -4.895 3.914 310 H VAL 40 H VAL 40 -13.717 -2.349 4.577 311 HA VAL 40 HA VAL 40 -12.698 -3.391 2.157 312 HB VAL 40 HB VAL 40 -12.395 -1.041 3.859 313 1HG1 VAL 40 1HG1 VAL 40 -10.158 -0.397 3.078 314 2HG1 VAL 40 2HG1 VAL 40 -10.093 -1.868 4.077 315 3HG1 VAL 40 3HG1 VAL 40 -9.962 -1.990 2.307 316 1HG2 VAL 40 1HG2 VAL 40 -13.390 -0.416 1.930 317 2HG2 VAL 40 2HG2 VAL 40 -11.721 -0.288 1.324 318 3HG2 VAL 40 3HG2 VAL 40 -12.674 -1.756 1.003 319 H GLU 41 H GLU 41 -11.831 -3.683 5.596 320 HA GLU 41 HA GLU 41 -9.328 -4.913 4.894 321 1HB GLU 41 1HB GLU 41 -10.316 -3.489 7.140 322 2HB GLU 41 2HB GLU 41 -10.057 -5.125 7.714 323 1HG GLU 41 1HG GLU 41 -7.910 -4.308 8.014 324 2HG GLU 41 2HG GLU 41 -7.748 -4.872 6.362 325 H ARG 42 H ARG 42 -12.577 -5.756 6.165 326 HA ARG 42 HA ARG 42 -11.938 -8.367 6.852 327 1HB ARG 42 1HB ARG 42 -13.979 -7.293 7.679 328 2HB ARG 42 2HB ARG 42 -14.580 -7.054 6.050 329 1HG ARG 42 1HG ARG 42 -13.991 -9.860 6.351 330 2HG ARG 42 2HG ARG 42 -14.902 -9.360 7.763 331 1HD ARG 42 1HD ARG 42 -15.799 -8.584 4.958 332 2HD ARG 42 2HD ARG 42 -16.240 -10.131 5.655 333 HE ARG 42 HE ARG 42 -16.823 -8.003 7.520 334 1HH1 ARG 42 1HH1 ARG 42 -20.213 -7.800 6.717 335 2HH1 ARG 42 2HH1 ARG 42 -18.992 -7.376 7.869 336 1HH2 ARG 42 1HH2 ARG 42 -19.644 -9.007 4.818 337 2HH2 ARG 42 2HH2 ARG 42 -18.000 -9.483 4.553 338 H GLU 43 H GLU 43 -12.777 -6.767 3.789 339 HA GLU 43 HA GLU 43 -13.207 -9.295 2.488 340 1HB GLU 43 1HB GLU 43 -13.270 -6.416 1.492 341 2HB GLU 43 2HB GLU 43 -13.537 -7.795 0.445 342 1HG GLU 43 1HG GLU 43 -15.154 -7.779 2.958 343 2HG GLU 43 2HG GLU 43 -15.533 -6.499 1.822 344 H GLN 44 H GLN 44 -11.257 -6.426 1.422 345 HA GLN 44 HA GLN 44 -8.893 -8.037 1.401 346 1HB GLN 44 1HB GLN 44 -10.454 -8.069 -0.908 347 2HB GLN 44 2HB GLN 44 -9.291 -6.805 -1.258 348 1HG GLN 44 1HG GLN 44 -7.415 -8.338 -0.735 349 2HG GLN 44 2HG GLN 44 -8.541 -9.597 -0.267 350 1HE2 GLN 44 1HE2 GLN 44 -10.249 -10.110 -1.954 351 2HE2 GLN 44 2HE2 GLN 44 -9.718 -10.277 -3.596 352 HA PRO 45 HA PRO 45 -7.945 -3.786 2.287 353 1HB PRO 45 1HB PRO 45 -5.858 -4.281 3.979 354 2HB PRO 45 2HB PRO 45 -7.519 -4.151 4.520 355 1HG PRO 45 1HG PRO 45 -5.861 -6.576 4.196 356 2HG PRO 45 2HG PRO 45 -7.339 -6.372 5.116 357 1HD PRO 45 1HD PRO 45 -7.068 -7.655 2.564 358 2HD PRO 45 2HD PRO 45 -8.561 -7.347 3.430 359 H GLU 46 H GLU 46 -6.804 -2.374 1.099 360 HA GLU 46 HA GLU 46 -5.184 -3.405 -0.873 361 1HB GLU 46 1HB GLU 46 -6.214 -0.865 -0.105 362 2HB GLU 46 2HB GLU 46 -4.482 -0.648 -0.254 363 1HG GLU 46 1HG GLU 46 -4.470 -1.415 -2.537 364 2HG GLU 46 2HG GLU 46 -6.080 -2.094 -2.404 365 H HIS 47 H HIS 47 -4.262 -1.594 2.146 366 HA HIS 47 HA HIS 47 -1.592 -1.583 1.898 367 1HB HIS 47 1HB HIS 47 -1.464 -1.329 4.233 368 2HB HIS 47 2HB HIS 47 -3.018 -0.665 3.767 369 HD1 HIS 47 1HD HIS 47 -5.177 -2.094 4.394 370 HD2 HIS 47 2HD HIS 47 -1.558 -3.520 5.967 371 HE1 HIS 47 1HE HIS 47 -5.800 -3.760 6.223 372 H LEU 48 H LEU 48 -3.615 -4.348 3.065 373 HA LEU 48 HA LEU 48 -1.662 -6.086 3.790 374 1HB LEU 48 1HB LEU 48 -4.429 -6.197 2.984 375 2HB LEU 48 2HB LEU 48 -3.570 -7.601 2.386 376 HG LEU 48 HG LEU 48 -4.530 -8.146 4.507 377 1HD1 LEU 48 1HD1 LEU 48 -2.649 -8.986 5.673 378 2HD1 LEU 48 2HD1 LEU 48 -2.192 -8.943 3.953 379 3HD1 LEU 48 3HD1 LEU 48 -1.594 -7.688 5.066 380 1HD2 LEU 48 1HD2 LEU 48 -2.970 -6.060 5.984 381 2HD2 LEU 48 2HD2 LEU 48 -4.498 -5.608 5.191 382 3HD2 LEU 48 3HD2 LEU 48 -4.482 -6.889 6.426 383 H ARG 49 H ARG 49 -2.423 -4.869 0.571 384 HA ARG 49 HA ARG 49 -1.335 -6.908 -0.913 385 1HB ARG 49 1HB ARG 49 -1.373 -5.367 -2.738 386 2HB ARG 49 2HB ARG 49 -2.650 -4.801 -1.679 387 1HG ARG 49 1HG ARG 49 -0.832 -3.260 -0.611 388 2HG ARG 49 2HG ARG 49 0.145 -3.647 -2.014 389 1HD ARG 49 1HD ARG 49 -2.578 -2.271 -1.986 390 2HD ARG 49 2HD ARG 49 -1.050 -1.588 -2.505 391 HE ARG 49 HE ARG 49 -1.866 -3.995 -3.991 392 1HH1 ARG 49 1HH1 ARG 49 -2.490 -2.160 -6.893 393 2HH1 ARG 49 2HH1 ARG 49 -2.302 -3.745 -6.221 394 1HH2 ARG 49 1HH2 ARG 49 -2.298 -0.291 -5.531 395 2HH2 ARG 49 2HH2 ARG 49 -1.968 -0.481 -3.841 396 H SER 50 H SER 50 0.154 -4.080 0.736 397 HA SER 50 HA SER 50 2.747 -4.979 -0.221 398 1HB SER 50 1HB SER 50 1.966 -2.372 1.160 399 2HB SER 50 2HB SER 50 3.564 -2.755 0.551 400 HG SER 50 HG SER 50 2.614 -1.582 -1.087 401 H TRP 51 H TRP 51 0.659 -4.623 2.613 402 HA TRP 51 HA TRP 51 2.699 -4.824 4.564 403 1HB TRP 51 1HB TRP 51 -0.266 -4.911 4.493 404 2HB TRP 51 2HB TRP 51 0.509 -5.695 5.857 405 HD1 TRP 51 HD TRP 51 0.659 -4.040 7.860 406 HE1 TRP 51 1HE TRP 51 1.042 -1.464 8.289 407 HE3 TRP 51 3HE TRP 51 1.084 -2.753 2.960 408 HZ2 TRP 51 2HZ TRP 51 1.469 0.772 6.568 409 HZ3 TRP 51 3HZ TRP 51 1.483 -0.352 2.420 410 HH2 TRP 51 HH TRP 51 1.676 1.383 4.130 411 H PHE 52 H PHE 52 1.106 -7.032 2.360 412 HA PHE 52 HA PHE 52 2.107 -9.306 3.916 413 1HB PHE 52 1HB PHE 52 -0.395 -8.934 3.092 414 2HB PHE 52 2HB PHE 52 0.226 -9.306 1.497 415 HD1 PHE 52 1HD PHE 52 -0.795 -10.653 4.687 416 HD2 PHE 52 2HD PHE 52 1.201 -11.564 1.055 417 HE1 PHE 52 1HE PHE 52 -1.066 -13.104 5.153 418 HE2 PHE 52 2HE PHE 52 0.931 -14.015 1.520 419 HZ PHE 52 HZ PHE 52 -0.199 -14.756 3.564 420 H ARG 53 H ARG 53 2.106 -7.670 0.721 421 HA ARG 53 HA ARG 53 3.906 -9.692 -0.267 422 1HB ARG 53 1HB ARG 53 1.888 -8.469 -1.544 423 2HB ARG 53 2HB ARG 53 3.102 -7.245 -1.860 424 1HG ARG 53 1HG ARG 53 4.331 -8.616 -3.267 425 2HG ARG 53 2HG ARG 53 3.961 -10.069 -2.359 426 1HD ARG 53 1HD ARG 53 2.486 -10.574 -4.021 427 2HD ARG 53 2HD ARG 53 1.452 -9.331 -3.345 428 HE ARG 53 HE ARG 53 3.087 -7.833 -4.933 429 1HH1 ARG 53 1HH1 ARG 53 2.005 -8.546 -8.174 430 2HH1 ARG 53 2HH1 ARG 53 2.832 -7.408 -7.164 431 1HH2 ARG 53 1HH2 ARG 53 1.153 -10.503 -7.261 432 2HH2 ARG 53 2HH2 ARG 53 1.346 -10.824 -5.569 433 H GLU 54 H GLU 54 4.202 -7.059 1.678 434 HA GLU 54 HA GLU 54 5.803 -5.221 0.763 435 1HB GLU 54 1HB GLU 54 6.143 -4.827 2.962 436 2HB GLU 54 2HB GLU 54 5.293 -6.323 3.287 437 1HG GLU 54 1HG GLU 54 7.384 -6.551 4.421 438 2HG GLU 54 2HG GLU 54 7.546 -7.534 2.980 439 H ARG 55 H ARG 55 6.721 -8.655 1.168 440 HA ARG 55 HA ARG 55 9.416 -8.425 0.936 441 1HB ARG 55 1HB ARG 55 7.486 -10.505 0.871 442 2HB ARG 55 2HB ARG 55 8.391 -10.702 -0.617 443 1HG ARG 55 1HG ARG 55 9.881 -11.842 0.694 444 2HG ARG 55 2HG ARG 55 10.453 -10.248 1.143 445 1HD ARG 55 1HD ARG 55 9.121 -10.230 3.166 446 2HD ARG 55 2HD ARG 55 8.187 -11.620 2.653 447 HE ARG 55 HE ARG 55 10.982 -12.315 2.747 448 1HH1 ARG 55 1HH1 ARG 55 10.862 -13.757 5.923 449 2HH1 ARG 55 2HH1 ARG 55 11.774 -13.607 4.458 450 1HH2 ARG 55 1HH2 ARG 55 8.837 -12.647 6.149 451 2HH2 ARG 55 2HH2 ARG 55 8.237 -11.668 4.852 452 H LEU 56 H LEU 56 10.016 -6.762 -0.582 453 HA LEU 56 HA LEU 56 10.451 -5.846 -2.547 454 1HB LEU 56 1HB LEU 56 10.529 -8.724 -3.465 455 2HB LEU 56 2HB LEU 56 11.219 -7.358 -4.318 456 HG LEU 56 HG LEU 56 12.336 -7.240 -1.741 457 1HD1 LEU 56 1HD1 LEU 56 11.392 -9.739 -1.815 458 2HD1 LEU 56 2HD1 LEU 56 12.932 -10.003 -2.666 459 3HD1 LEU 56 3HD1 LEU 56 12.930 -9.310 -1.027 460 1HD2 LEU 56 1HD2 LEU 56 13.549 -6.552 -3.653 461 2HD2 LEU 56 2HD2 LEU 56 14.426 -7.945 -2.978 462 3HD2 LEU 56 3HD2 LEU 56 13.401 -8.152 -4.418 463 H ILE 57 H ILE 57 8.555 -4.663 -2.902 464 HA ILE 57 HA ILE 57 6.612 -6.012 -4.646 465 HB ILE 57 HB ILE 57 5.829 -5.393 -2.349 466 1HG1 ILE 57 1HG1 ILE 57 4.258 -3.820 -4.363 467 2HG1 ILE 57 2HG1 ILE 57 4.465 -5.544 -4.604 468 1HG2 ILE 57 1HG2 ILE 57 6.011 -2.548 -3.367 469 2HG2 ILE 57 2HG2 ILE 57 5.404 -3.099 -1.787 470 3HG2 ILE 57 3HG2 ILE 57 7.130 -3.275 -2.189 471 1HD1 ILE 57 1HD1 ILE 57 3.818 -5.384 -1.891 472 2HD1 ILE 57 2HD1 ILE 57 2.806 -4.119 -2.631 473 3HD1 ILE 57 3HD1 ILE 57 2.692 -5.800 -3.205 474 H ALA 58 H ALA 58 8.103 -2.808 -3.814 475 HA ALA 58 HA ALA 58 8.588 -1.051 -5.072 476 1HB ALA 58 1HB ALA 58 9.507 -1.565 -7.364 477 2HB ALA 58 2HB ALA 58 10.219 -2.542 -6.058 478 3HB ALA 58 3HB ALA 58 8.992 -3.252 -7.134 479 H HIS 59 H HIS 59 6.367 -0.268 -4.810 480 HA HIS 59 HA HIS 59 4.791 -0.601 -7.255 481 1HB HIS 59 1HB HIS 59 2.860 0.097 -5.860 482 2HB HIS 59 2HB HIS 59 3.591 -1.414 -5.360 483 HD1 HIS 59 1HD HIS 59 2.294 -0.787 -3.035 484 HD2 HIS 59 2HD HIS 59 5.630 1.552 -4.035 485 HE1 HIS 59 1HE HIS 59 2.998 0.406 -0.892 486 H ARG 60 H ARG 60 3.181 1.561 -7.304 487 HA ARG 60 HA ARG 60 5.106 3.745 -7.327 488 1HB ARG 60 1HB ARG 60 3.603 4.722 -9.145 489 2HB ARG 60 2HB ARG 60 4.422 3.240 -9.598 490 1HG ARG 60 1HG ARG 60 1.857 2.659 -8.297 491 2HG ARG 60 2HG ARG 60 1.632 3.732 -9.665 492 1HD ARG 60 1HD ARG 60 3.399 1.915 -10.747 493 2HD ARG 60 2HD ARG 60 2.542 0.886 -9.616 494 HE ARG 60 HE ARG 60 0.553 2.372 -10.948 495 1HH1 ARG 60 1HH1 ARG 60 0.104 0.311 -13.729 496 2HH1 ARG 60 2HH1 ARG 60 -0.590 1.565 -12.756 497 1HH2 ARG 60 1HH2 ARG 60 2.193 -0.550 -13.198 498 2HH2 ARG 60 2HH2 ARG 60 3.058 0.062 -11.827 499 H LEU 61 H LEU 61 2.301 2.474 -5.849 500 HA LEU 61 HA LEU 61 0.639 3.314 -4.640 501 1HB LEU 61 1HB LEU 61 3.017 4.012 -3.564 502 2HB LEU 61 2HB LEU 61 2.279 5.594 -3.714 503 HG LEU 61 HG LEU 61 0.227 4.423 -2.536 504 1HD1 LEU 61 1HD1 LEU 61 2.472 2.766 -1.380 505 2HD1 LEU 61 2HD1 LEU 61 0.720 2.629 -1.089 506 3HD1 LEU 61 3HD1 LEU 61 1.399 2.170 -2.668 507 1HD2 LEU 61 1HD2 LEU 61 0.780 5.854 -0.935 508 2HD2 LEU 61 2HD2 LEU 61 2.140 4.826 -0.425 509 3HD2 LEU 61 3HD2 LEU 61 2.376 6.045 -1.700 510 H ALA 62 H ALA 62 -0.903 3.927 -6.169 511 HA ALA 62 HA ALA 62 -1.852 6.438 -6.180 512 1HB ALA 62 1HB ALA 62 -0.357 7.699 -7.302 513 2HB ALA 62 2HB ALA 62 0.556 6.268 -7.839 514 3HB ALA 62 3HB ALA 62 -0.860 6.820 -8.765 515 H SER 63 H SER 63 -3.893 5.681 -6.497 516 HA SER 63 HA SER 63 -4.338 4.305 -9.012 517 1HB SER 63 1HB SER 63 -5.141 3.364 -6.247 518 2HB SER 63 2HB SER 63 -6.115 2.923 -7.636 519 HG SER 63 HG SER 63 -3.622 2.416 -8.402 520 H VAL 64 H VAL 64 -6.518 4.930 -6.194 521 HA VAL 64 HA VAL 64 -8.248 6.444 -7.962 522 HB VAL 64 HB VAL 64 -8.556 5.450 -5.122 523 1HG1 VAL 64 1HG1 VAL 64 -10.019 7.472 -6.509 524 2HG1 VAL 64 2HG1 VAL 64 -11.063 6.038 -6.365 525 3HG1 VAL 64 3HG1 VAL 64 -10.343 6.765 -4.908 526 1HG2 VAL 64 1HG2 VAL 64 -9.294 4.354 -7.814 527 2HG2 VAL 64 2HG2 VAL 64 -8.663 3.520 -6.375 528 3HG2 VAL 64 3HG2 VAL 64 -10.366 4.035 -6.430 529 H ASN 65 H ASN 65 -8.431 7.308 -4.615 530 HA ASN 65 HA ASN 65 -7.827 9.978 -5.264 531 1HB ASN 65 1HB ASN 65 -9.426 8.940 -3.409 532 2HB ASN 65 2HB ASN 65 -7.981 8.910 -2.419 533 1HD2 ASN 65 1HD2 ASN 65 -10.617 10.677 -3.317 534 2HD2 ASN 65 2HD2 ASN 65 -10.118 12.274 -2.869 535 H LEU 66 H LEU 66 -6.426 7.630 -2.837 536 HA LEU 66 HA LEU 66 -4.435 7.515 -1.875 537 1HB LEU 66 1HB LEU 66 -4.127 6.972 -4.450 538 2HB LEU 66 2HB LEU 66 -3.105 8.395 -4.394 539 HG LEU 66 HG LEU 66 -1.841 6.301 -4.130 540 1HD1 LEU 66 1HD1 LEU 66 -0.633 8.026 -3.227 541 2HD1 LEU 66 2HD1 LEU 66 -1.857 8.388 -1.986 542 3HD1 LEU 66 3HD1 LEU 66 -0.798 6.969 -1.804 543 1HD2 LEU 66 1HD2 LEU 66 -2.559 5.713 -1.386 544 2HD2 LEU 66 2HD2 LEU 66 -3.958 5.535 -2.472 545 3HD2 LEU 66 3HD2 LEU 66 -2.457 4.634 -2.798 546 H SER 67 H SER 67 -5.139 9.421 -0.551 547 HA SER 67 HA SER 67 -3.356 11.653 -1.138 548 1HB SER 67 1HB SER 67 -6.249 11.618 -0.338 549 2HB SER 67 2HB SER 67 -5.250 12.874 0.365 550 HG SER 67 HG SER 67 -5.541 12.330 -2.467 551 H ARG 68 H ARG 68 -2.788 12.933 0.940 552 HA ARG 68 HA ARG 68 -2.721 11.072 3.178 553 1HB ARG 68 1HB ARG 68 -0.518 12.262 1.711 554 2HB ARG 68 2HB ARG 68 -0.494 12.895 3.345 555 1HG ARG 68 1HG ARG 68 -0.959 10.258 3.896 556 2HG ARG 68 2HG ARG 68 -0.083 10.084 2.388 557 1HD ARG 68 1HD ARG 68 1.055 11.985 4.433 558 2HD ARG 68 2HD ARG 68 1.185 10.270 4.769 559 HE ARG 68 HE ARG 68 1.993 10.823 2.047 560 1HH1 ARG 68 1HH1 ARG 68 5.413 10.819 2.740 561 2HH1 ARG 68 2HH1 ARG 68 4.209 10.736 1.497 562 1HH2 ARG 68 1HH2 ARG 68 4.774 11.016 4.963 563 2HH2 ARG 68 2HH2 ARG 68 3.094 11.081 5.379 564 H LEU 69 H LEU 69 -2.240 12.307 5.342 565 HA LEU 69 HA LEU 69 -3.483 14.965 5.226 566 1HB LEU 69 1HB LEU 69 -4.864 14.511 7.024 567 2HB LEU 69 2HB LEU 69 -4.997 13.092 6.006 568 HG LEU 69 HG LEU 69 -2.895 12.657 7.917 569 1HD1 LEU 69 1HD1 LEU 69 -4.457 14.471 9.061 570 2HD1 LEU 69 2HD1 LEU 69 -5.457 13.038 9.398 571 3HD1 LEU 69 3HD1 LEU 69 -3.773 13.104 9.972 572 1HD2 LEU 69 1HD2 LEU 69 -4.575 11.099 6.608 573 2HD2 LEU 69 2HD2 LEU 69 -3.906 10.622 8.188 574 3HD2 LEU 69 3HD2 LEU 69 -5.552 11.294 8.083 575 HA PRO 70 HA PRO 70 -0.102 16.211 7.599 576 1HB PRO 70 1HB PRO 70 -1.101 18.357 8.964 577 2HB PRO 70 2HB PRO 70 -0.595 18.437 7.288 578 1HG PRO 70 1HG PRO 70 -3.335 18.377 8.396 579 2HG PRO 70 2HG PRO 70 -2.807 18.876 6.801 580 1HD PRO 70 1HD PRO 70 -4.073 16.396 7.490 581 2HD PRO 70 2HD PRO 70 -3.440 16.850 5.920 582 H TYR 71 H TYR 71 0.677 16.900 9.906 583 HA TYR 71 HA TYR 71 -0.888 15.403 11.864 584 1HB TYR 71 1HB TYR 71 1.843 14.862 10.683 585 2HB TYR 71 2HB TYR 71 1.756 14.725 12.429 586 HD1 TYR 71 1HD TYR 71 0.506 13.344 9.235 587 HD2 TYR 71 2HD TYR 71 0.598 12.887 13.487 588 HE1 TYR 71 1HE TYR 71 -0.423 10.988 9.009 589 HE2 TYR 71 2HE TYR 71 -0.331 10.533 13.247 590 HH TYR 71 HH TYR 71 -0.283 8.758 11.416 591 H GLU 72 H GLU 72 0.124 15.716 14.139 592 HA GLU 72 HA GLU 72 1.723 18.069 14.374 593 1HB GLU 72 1HB GLU 72 0.098 19.344 15.727 594 2HB GLU 72 2HB GLU 72 -0.519 19.070 14.110 595 1HG GLU 72 1HG GLU 72 -1.452 16.821 15.443 596 2HG GLU 72 2HG GLU 72 -1.509 18.027 16.713 597 HA PRO 73 HA PRO 73 2.722 15.459 17.757 598 1HB PRO 73 1HB PRO 73 5.036 16.715 18.492 599 2HB PRO 73 2HB PRO 73 4.967 15.488 17.241 600 1HG PRO 73 1HG PRO 73 5.249 18.416 16.951 601 2HG PRO 73 2HG PRO 73 5.598 17.159 15.782 602 1HD PRO 73 1HD PRO 73 3.305 18.881 15.817 603 2HD PRO 73 2HD PRO 73 3.598 17.548 14.717 604 H LYS 74 H LYS 74 3.552 18.837 18.406 605 HA LYS 74 HA LYS 74 3.066 20.139 20.121 606 1HB LYS 74 1HB LYS 74 0.629 19.076 19.207 607 2HB LYS 74 2HB LYS 74 0.535 18.985 20.955 608 1HG LYS 74 1HG LYS 74 1.575 21.476 20.758 609 2HG LYS 74 2HG LYS 74 0.802 21.407 19.187 610 1HD LYS 74 1HD LYS 74 -1.016 22.164 20.387 611 2HD LYS 74 2HD LYS 74 -1.253 20.451 20.666 612 1HE LYS 74 2HE LYS 74 0.590 21.223 22.665 613 2HE LYS 74 3HE LYS 74 -0.537 22.563 22.582 614 1HZ LYS 74 1HZ LYS 74 -1.955 20.164 22.458 615 2HZ LYS 74 2HZ LYS 74 -0.947 20.104 23.741 616 3HZ LYS 74 3HZ LYS 74 -2.022 21.327 23.603 617 H LEU 75 H LEU 75 2.553 20.182 22.586 618 HA LEU 75 HA LEU 75 3.015 19.470 24.624 619 1HB LEU 75 1HB LEU 75 1.568 17.441 23.552 620 2HB LEU 75 2HB LEU 75 3.032 16.586 23.997 621 HG LEU 75 HG LEU 75 1.369 16.437 25.759 622 1HD1 LEU 75 1HD1 LEU 75 3.332 18.291 27.007 623 2HD1 LEU 75 2HD1 LEU 75 2.833 16.649 27.480 624 3HD1 LEU 75 3HD1 LEU 75 3.976 16.880 26.135 625 1HD2 LEU 75 1HD2 LEU 75 0.550 18.353 26.983 626 2HD2 LEU 75 2HD2 LEU 75 1.521 19.455 25.977 627 3HD2 LEU 75 3HD2 LEU 75 0.174 18.543 25.254 628 H LYS 76 H LYS 76 5.041 20.058 25.193 629 HA LYS 76 HA LYS 76 7.247 18.555 23.988 630 1HB LYS 76 1HB LYS 76 7.396 20.908 23.567 631 2HB LYS 76 2HB LYS 76 7.092 21.303 25.247 632 1HG LYS 76 1HG LYS 76 9.337 19.479 25.142 633 2HG LYS 76 2HG LYS 76 9.619 20.758 23.978 634 1HD LYS 76 1HD LYS 76 9.050 22.445 25.810 635 2HD LYS 76 2HD LYS 76 8.992 21.110 26.945 636 1HE LYS 76 2HE LYS 76 11.447 21.394 25.207 637 2HE LYS 76 3HE LYS 76 11.250 22.506 26.547 638 1HZ LYS 76 1HZ LYS 76 11.665 19.649 26.600 639 2HZ LYS 76 2HZ LYS 76 12.247 20.804 27.597 640 3HZ LYS 76 3HZ LYS 76 10.714 20.271 27.772 Start of MODEL 5 1 H MET 1 H MET 1 21.387 -10.519 25.614 2 HA MET 1 HA MET 1 19.493 -9.426 26.830 3 1HB MET 1 1HB MET 1 22.022 -10.278 27.662 4 2HB MET 1 2HB MET 1 21.976 -8.649 28.305 5 1HG MET 1 1HG MET 1 19.420 -9.964 28.803 6 2HG MET 1 2HG MET 1 20.725 -10.978 29.387 7 1HE MET 1 1HE MET 1 19.153 -7.084 30.930 8 2HE MET 1 2HE MET 1 18.645 -8.083 29.548 9 3HE MET 1 3HE MET 1 18.391 -8.668 31.210 10 H LEU 2 H LEU 2 22.443 -7.416 26.164 11 HA LEU 2 HA LEU 2 20.871 -5.119 25.687 12 1HB LEU 2 1HB LEU 2 20.767 -5.354 28.209 13 2HB LEU 2 2HB LEU 2 22.486 -5.015 28.230 14 HG LEU 2 HG LEU 2 21.917 -2.848 26.971 15 1HD1 LEU 2 1HD1 LEU 2 19.152 -3.297 28.100 16 2HD1 LEU 2 2HD1 LEU 2 19.719 -2.002 27.020 17 3HD1 LEU 2 3HD1 LEU 2 19.574 -3.669 26.411 18 1HD2 LEU 2 1HD2 LEU 2 20.682 -2.679 29.665 19 2HD2 LEU 2 2HD2 LEU 2 22.322 -3.364 29.577 20 3HD2 LEU 2 3HD2 LEU 2 22.003 -1.735 28.937 21 H LYS 3 H LYS 3 22.873 -6.764 24.370 22 HA LYS 3 HA LYS 3 24.628 -4.659 23.595 23 1HB LYS 3 1HB LYS 3 26.736 -5.860 24.131 24 2HB LYS 3 2HB LYS 3 25.878 -5.280 25.544 25 1HG LYS 3 1HG LYS 3 24.809 -7.626 25.700 26 2HG LYS 3 2HG LYS 3 25.958 -8.137 24.480 27 1HD LYS 3 1HD LYS 3 27.843 -7.370 25.962 28 2HD LYS 3 2HD LYS 3 26.676 -6.920 27.189 29 1HE LYS 3 2HE LYS 3 26.208 -9.667 26.272 30 2HE LYS 3 3HE LYS 3 27.861 -9.470 26.820 31 1HZ LYS 3 1HZ LYS 3 25.409 -9.244 28.320 32 2HZ LYS 3 2HZ LYS 3 26.863 -9.827 28.782 33 3HZ LYS 3 3HZ LYS 3 26.606 -8.215 28.740 34 H ASN 4 H ASN 4 22.741 -5.704 22.056 35 HA ASN 4 HA ASN 4 24.117 -6.724 19.932 36 1HB ASN 4 1HB ASN 4 24.366 -8.862 21.060 37 2HB ASN 4 2HB ASN 4 22.704 -8.843 21.617 38 1HD2 ASN 4 1HD2 ASN 4 24.568 -8.596 18.590 39 2HD2 ASN 4 2HD2 ASN 4 23.553 -9.615 17.623 40 H LEU 5 H LEU 5 22.630 -6.965 18.067 41 HA LEU 5 HA LEU 5 19.815 -6.473 18.705 42 1HB LEU 5 1HB LEU 5 21.646 -4.597 17.581 43 2HB LEU 5 2HB LEU 5 20.506 -5.059 16.333 44 HG LEU 5 HG LEU 5 19.022 -4.574 18.728 45 1HD1 LEU 5 1HD1 LEU 5 19.745 -2.637 19.625 46 2HD1 LEU 5 2HD1 LEU 5 21.322 -3.181 19.003 47 3HD1 LEU 5 3HD1 LEU 5 20.354 -2.012 18.073 48 1HD2 LEU 5 1HD2 LEU 5 17.657 -3.471 17.314 49 2HD2 LEU 5 2HD2 LEU 5 18.986 -2.552 16.568 50 3HD2 LEU 5 3HD2 LEU 5 18.675 -4.232 16.067 51 H ALA 6 H ALA 6 18.836 -8.315 18.034 52 HA ALA 6 HA ALA 6 19.394 -9.147 15.290 53 1HB ALA 6 1HB ALA 6 19.200 -11.093 17.620 54 2HB ALA 6 2HB ALA 6 19.604 -11.461 15.926 55 3HB ALA 6 3HB ALA 6 20.743 -10.532 16.930 56 H LYS 7 H LYS 7 17.318 -7.582 15.604 57 HA LYS 7 HA LYS 7 15.011 -8.950 16.591 58 1HB LYS 7 1HB LYS 7 15.306 -6.490 16.711 59 2HB LYS 7 2HB LYS 7 15.246 -6.402 14.962 60 1HG LYS 7 1HG LYS 7 12.996 -6.138 15.240 61 2HG LYS 7 2HG LYS 7 12.966 -7.872 15.485 62 1HD LYS 7 1HD LYS 7 13.665 -6.271 17.907 63 2HD LYS 7 2HD LYS 7 12.034 -6.033 17.312 64 1HE LYS 7 2HE LYS 7 12.813 -8.884 17.343 65 2HE LYS 7 3HE LYS 7 12.902 -8.152 18.932 66 1HZ LYS 7 1HZ LYS 7 10.704 -9.056 18.297 67 2HZ LYS 7 2HZ LYS 7 10.666 -7.494 18.774 68 3HZ LYS 7 3HZ LYS 7 10.560 -7.866 17.187 69 H LEU 8 H LEU 8 16.649 -8.466 13.457 70 HA LEU 8 HA LEU 8 16.051 -9.075 11.385 71 1HB LEU 8 1HB LEU 8 16.167 -11.381 11.096 72 2HB LEU 8 2HB LEU 8 17.076 -11.050 12.556 73 HG LEU 8 HG LEU 8 14.375 -11.617 13.313 74 1HD1 LEU 8 1HD1 LEU 8 14.445 -12.730 10.982 75 2HD1 LEU 8 2HD1 LEU 8 15.515 -13.926 11.754 76 3HD1 LEU 8 3HD1 LEU 8 13.862 -13.680 12.370 77 1HD2 LEU 8 1HD2 LEU 8 16.489 -11.906 14.632 78 2HD2 LEU 8 2HD2 LEU 8 15.379 -13.295 14.678 79 3HD2 LEU 8 3HD2 LEU 8 16.833 -13.351 13.652 80 H ASP 9 H ASP 9 14.061 -7.500 12.018 81 HA ASP 9 HA ASP 9 11.944 -8.443 10.578 82 1HB ASP 9 1HB ASP 9 11.806 -9.717 12.964 83 2HB ASP 9 2HB ASP 9 11.015 -8.226 13.436 84 H GLN 10 H GLN 10 13.315 -6.100 10.463 85 HA GLN 10 HA GLN 10 11.852 -4.164 12.049 86 1HB GLN 10 1HB GLN 10 13.593 -2.570 11.376 87 2HB GLN 10 2HB GLN 10 14.333 -4.021 12.024 88 1HG GLN 10 1HG GLN 10 14.201 -4.726 9.384 89 2HG GLN 10 2HG GLN 10 14.321 -2.987 9.211 90 1HE2 GLN 10 1HE2 GLN 10 16.346 -3.885 8.153 91 2HE2 GLN 10 2HE2 GLN 10 17.777 -3.967 9.125 92 H THR 11 H THR 11 11.677 -5.725 9.049 93 HA THR 11 HA THR 11 11.027 -3.585 7.336 94 HB THR 11 HB THR 11 10.558 -6.595 7.390 95 HG1 THR 11 1HG THR 11 12.031 -6.145 5.465 96 1HG2 THR 11 1HG2 THR 11 9.530 -6.546 5.259 97 2HG2 THR 11 2HG2 THR 11 8.722 -5.185 6.072 98 3HG2 THR 11 3HG2 THR 11 10.059 -4.878 4.939 99 H GLU 12 H GLU 12 8.948 -5.807 9.300 100 HA GLU 12 HA GLU 12 6.583 -4.613 8.483 101 1HB GLU 12 1HB GLU 12 6.982 -6.871 9.695 102 2HB GLU 12 2HB GLU 12 7.011 -5.944 11.182 103 1HG GLU 12 1HG GLU 12 4.731 -4.938 10.361 104 2HG GLU 12 2HG GLU 12 4.710 -6.270 9.222 105 H MET 13 H MET 13 9.116 -3.449 10.502 106 HA MET 13 HA MET 13 7.506 -1.924 12.252 107 1HB MET 13 1HB MET 13 10.063 -2.745 12.353 108 2HB MET 13 2HB MET 13 10.379 -1.231 11.529 109 1HG MET 13 1HG MET 13 9.448 0.071 13.345 110 2HG MET 13 2HG MET 13 8.725 -1.343 14.086 111 1HE MET 13 1HE MET 13 11.347 1.103 14.378 112 2HE MET 13 2HE MET 13 12.896 0.269 14.650 113 3HE MET 13 3HE MET 13 12.169 0.289 13.025 114 H ASP 14 H ASP 14 9.014 -1.420 9.056 115 HA ASP 14 HA ASP 14 8.755 1.364 9.075 116 1HB ASP 14 1HB ASP 14 10.199 -0.099 7.531 117 2HB ASP 14 2HB ASP 14 8.735 -0.489 6.650 118 H LYS 15 H LYS 15 6.637 -1.398 8.330 119 HA LYS 15 HA LYS 15 4.686 0.230 6.972 120 1HB LYS 15 1HB LYS 15 5.140 -2.652 7.484 121 2HB LYS 15 2HB LYS 15 3.461 -2.160 7.415 122 1HG LYS 15 1HG LYS 15 4.432 -2.817 5.170 123 2HG LYS 15 2HG LYS 15 3.730 -1.212 5.198 124 1HD LYS 15 1HD LYS 15 5.802 -0.875 4.102 125 2HD LYS 15 2HD LYS 15 6.131 -0.357 5.744 126 1HE LYS 15 2HE LYS 15 7.115 -2.589 6.267 127 2HE LYS 15 3HE LYS 15 6.752 -3.142 4.645 128 1HZ LYS 15 1HZ LYS 15 8.231 -0.691 4.765 129 2HZ LYS 15 2HZ LYS 15 9.030 -1.990 5.348 130 3HZ LYS 15 3HZ LYS 15 8.459 -2.002 3.818 131 H VAL 16 H VAL 16 4.935 -1.602 10.094 132 HA VAL 16 HA VAL 16 2.524 -1.068 11.165 133 HB VAL 16 HB VAL 16 5.159 -1.751 12.077 134 1HG1 VAL 16 1HG1 VAL 16 3.581 0.051 13.945 135 2HG1 VAL 16 2HG1 VAL 16 4.995 -0.928 14.402 136 3HG1 VAL 16 3HG1 VAL 16 5.173 0.400 13.229 137 1HG2 VAL 16 1HG2 VAL 16 2.692 -2.858 12.141 138 2HG2 VAL 16 2HG2 VAL 16 4.030 -3.368 13.198 139 3HG2 VAL 16 3HG2 VAL 16 2.796 -2.241 13.808 140 H ASN 17 H ASN 17 5.222 1.207 10.647 141 HA ASN 17 HA ASN 17 4.242 3.216 12.295 142 1HB ASN 17 1HB ASN 17 6.563 2.934 11.046 143 2HB ASN 17 2HB ASN 17 5.771 3.758 9.718 144 1HD2 ASN 17 1HD2 ASN 17 5.694 4.073 13.268 145 2HD2 ASN 17 2HD2 ASN 17 6.065 5.763 13.347 146 H VAL 18 H VAL 18 4.356 3.124 8.645 147 HA VAL 18 HA VAL 18 2.641 5.171 8.147 148 HB VAL 18 HB VAL 18 2.974 2.579 6.624 149 1HG1 VAL 18 1HG1 VAL 18 1.955 5.286 5.695 150 2HG1 VAL 18 2HG1 VAL 18 2.296 3.892 4.643 151 3HG1 VAL 18 3HG1 VAL 18 0.999 3.794 5.858 152 1HG2 VAL 18 1HG2 VAL 18 4.906 4.462 7.253 153 2HG2 VAL 18 2HG2 VAL 18 4.970 3.304 5.903 154 3HG2 VAL 18 3HG2 VAL 18 4.367 4.957 5.630 155 H ASP 19 H ASP 19 1.930 1.984 9.456 156 HA ASP 19 HA ASP 19 -0.634 1.617 8.702 157 1HB ASP 19 1HB ASP 19 0.974 0.282 10.327 158 2HB ASP 19 2HB ASP 19 0.204 1.220 11.593 159 H LEU 20 H LEU 20 0.779 3.960 10.983 160 HA LEU 20 HA LEU 20 -1.775 4.674 12.110 161 1HB LEU 20 1HB LEU 20 0.591 4.649 13.208 162 2HB LEU 20 2HB LEU 20 0.767 6.223 12.457 163 HG LEU 20 HG LEU 20 -1.728 5.826 14.010 164 1HD1 LEU 20 1HD1 LEU 20 0.279 6.562 15.906 165 2HD1 LEU 20 2HD1 LEU 20 -0.851 5.187 15.941 166 3HD1 LEU 20 3HD1 LEU 20 0.739 5.013 15.160 167 1HD2 LEU 20 1HD2 LEU 20 -1.472 8.095 14.543 168 2HD2 LEU 20 2HD2 LEU 20 0.273 8.077 14.192 169 3HD2 LEU 20 3HD2 LEU 20 -0.904 7.958 12.862 170 H ALA 21 H ALA 21 0.265 5.548 9.392 171 HA ALA 21 HA ALA 21 -0.458 8.181 9.008 172 1HB ALA 21 1HB ALA 21 -0.297 6.548 6.558 173 2HB ALA 21 2HB ALA 21 0.723 7.903 7.095 174 3HB ALA 21 3HB ALA 21 1.039 6.259 7.698 175 H ALA 22 H ALA 22 -1.850 5.497 7.011 176 HA ALA 22 HA ALA 22 -4.494 5.868 7.717 177 1HB ALA 22 1HB ALA 22 -5.320 7.577 6.463 178 2HB ALA 22 2HB ALA 22 -3.638 8.158 6.480 179 3HB ALA 22 3HB ALA 22 -4.243 7.224 5.091 180 H ALA 23 H ALA 23 -5.443 5.724 4.833 181 HA ALA 23 HA ALA 23 -5.479 4.295 3.099 182 1HB ALA 23 1HB ALA 23 -2.896 4.041 3.718 183 2HB ALA 23 2HB ALA 23 -3.435 2.441 4.281 184 3HB ALA 23 3HB ALA 23 -3.693 2.921 2.587 185 H GLY 24 H GLY 24 -7.078 2.781 2.840 186 1HA GLY 24 1HA GLY 24 -7.433 0.477 4.331 187 2HA GLY 24 2HA GLY 24 -8.347 1.728 5.153 188 H VAL 25 H VAL 25 -9.558 3.281 3.379 189 HA VAL 25 HA VAL 25 -10.976 1.399 1.622 190 HB VAL 25 HB VAL 25 -12.063 3.954 2.802 191 1HG1 VAL 25 1HG1 VAL 25 -14.036 1.945 2.336 192 2HG1 VAL 25 2HG1 VAL 25 -13.833 3.515 1.520 193 3HG1 VAL 25 3HG1 VAL 25 -13.022 2.066 0.879 194 1HG2 VAL 25 1HG2 VAL 25 -12.853 1.314 3.951 195 2HG2 VAL 25 2HG2 VAL 25 -11.275 1.984 4.430 196 3HG2 VAL 25 3HG2 VAL 25 -12.762 2.919 4.716 197 H ALA 26 H ALA 26 -9.192 4.429 1.955 198 HA ALA 26 HA ALA 26 -9.880 5.962 -0.091 199 1HB ALA 26 1HB ALA 26 -7.076 5.034 0.644 200 2HB ALA 26 2HB ALA 26 -7.435 6.452 -0.369 201 3HB ALA 26 3HB ALA 26 -7.961 6.416 1.332 202 H PHE 27 H PHE 27 -7.311 3.463 -0.669 203 HA PHE 27 HA PHE 27 -8.479 3.132 -3.342 204 1HB PHE 27 1HB PHE 27 -5.632 2.560 -2.337 205 2HB PHE 27 2HB PHE 27 -6.141 2.630 -4.012 206 HD1 PHE 27 1HD PHE 27 -5.186 4.575 -1.088 207 HD2 PHE 27 2HD PHE 27 -6.593 4.791 -5.085 208 HE1 PHE 27 1HE PHE 27 -4.565 7.005 -1.174 209 HE2 PHE 27 2HE PHE 27 -5.973 7.222 -5.172 210 HZ PHE 27 HZ PHE 27 -4.966 8.300 -3.215 211 H LYS 28 H LYS 28 -9.456 1.200 -3.695 212 HA LYS 28 HA LYS 28 -8.442 -1.235 -3.475 213 1HB LYS 28 1HB LYS 28 -7.882 -1.308 -1.243 214 2HB LYS 28 2HB LYS 28 -9.231 -0.307 -0.744 215 1HG LYS 28 1HG LYS 28 -9.716 -2.561 -0.010 216 2HG LYS 28 2HG LYS 28 -10.798 -2.212 -1.344 217 1HD LYS 28 1HD LYS 28 -9.744 -4.484 -1.521 218 2HD LYS 28 2HD LYS 28 -9.399 -3.469 -2.907 219 1HE LYS 28 2HE LYS 28 -7.158 -2.984 -2.120 220 2HE LYS 28 3HE LYS 28 -7.495 -3.649 -0.534 221 1HZ LYS 28 1HZ LYS 28 -6.666 -4.988 -2.854 222 2HZ LYS 28 2HZ LYS 28 -6.763 -5.553 -1.324 223 3HZ LYS 28 3HZ LYS 28 -8.060 -5.645 -2.313 224 H GLU 29 H GLU 29 -11.161 0.953 -3.033 225 HA GLU 29 HA GLU 29 -13.298 -0.633 -3.038 226 1HB GLU 29 1HB GLU 29 -14.142 1.223 -4.849 227 2HB GLU 29 2HB GLU 29 -13.989 1.542 -3.132 228 1HG GLU 29 1HG GLU 29 -11.858 2.610 -3.398 229 2HG GLU 29 2HG GLU 29 -11.627 1.946 -5.004 230 H ARG 30 H ARG 30 -10.839 -0.483 -5.511 231 HA ARG 30 HA ARG 30 -12.091 -1.072 -7.781 232 1HB ARG 30 1HB ARG 30 -9.460 -1.727 -6.587 233 2HB ARG 30 2HB ARG 30 -9.944 -2.884 -7.811 234 1HG ARG 30 1HG ARG 30 -10.584 -0.284 -8.842 235 2HG ARG 30 2HG ARG 30 -8.973 -0.170 -8.163 236 1HD ARG 30 1HD ARG 30 -9.482 -2.632 -9.779 237 2HD ARG 30 2HD ARG 30 -9.525 -1.134 -10.686 238 HE ARG 30 HE ARG 30 -7.230 -0.935 -9.092 239 1HH1 ARG 30 1HH1 ARG 30 -4.961 -2.675 -11.091 240 2HH1 ARG 30 2HH1 ARG 30 -5.142 -1.526 -9.808 241 1HH2 ARG 30 1HH2 ARG 30 -6.837 -3.613 -12.083 242 2HH2 ARG 30 2HH2 ARG 30 -8.419 -3.164 -11.541 243 H TYR 31 H TYR 31 -11.955 -3.034 -4.869 244 HA TYR 31 HA TYR 31 -12.702 -5.471 -6.242 245 1HB TYR 31 1HB TYR 31 -12.085 -6.375 -4.154 246 2HB TYR 31 2HB TYR 31 -11.287 -4.827 -3.967 247 HD1 TYR 31 1HD TYR 31 -12.142 -3.144 -2.440 248 HD2 TYR 31 2HD TYR 31 -14.224 -6.838 -3.005 249 HE1 TYR 31 1HE TYR 31 -13.547 -2.677 -0.373 250 HE2 TYR 31 2HE TYR 31 -15.622 -6.358 -0.935 251 HH TYR 31 HH TYR 31 -15.832 -3.358 0.440 252 H ASN 32 H ASN 32 -14.437 -2.908 -6.221 253 HA ASN 32 HA ASN 32 -16.563 -2.473 -6.226 254 1HB ASN 32 1HB ASN 32 -17.040 -4.662 -7.196 255 2HB ASN 32 2HB ASN 32 -16.831 -5.464 -5.651 256 1HD2 ASN 32 1HD2 ASN 32 -18.668 -2.730 -7.019 257 2HD2 ASN 32 2HD2 ASN 32 -20.197 -3.111 -6.301 258 H MET 33 H MET 33 -15.556 -1.449 -4.061 259 HA MET 33 HA MET 33 -16.468 -2.689 -1.664 260 1HB MET 33 1HB MET 33 -14.371 -1.431 -1.619 261 2HB MET 33 2HB MET 33 -15.121 -0.028 -2.353 262 1HG MET 33 1HG MET 33 -16.683 -0.468 -0.055 263 2HG MET 33 2HG MET 33 -15.057 -0.840 0.483 264 1HE MET 33 1HE MET 33 -17.372 2.169 0.601 265 2HE MET 33 2HE MET 33 -16.832 3.116 -0.806 266 3HE MET 33 3HE MET 33 -17.484 1.476 -1.035 267 HA PRO 34 HA PRO 34 -20.354 -0.667 -1.849 268 1HB PRO 34 1HB PRO 34 -21.462 -1.827 0.363 269 2HB PRO 34 2HB PRO 34 -21.480 -2.574 -1.222 270 1HG PRO 34 1HG PRO 34 -19.811 -3.245 1.124 271 2HG PRO 34 2HG PRO 34 -20.153 -4.216 -0.295 272 1HD PRO 34 1HD PRO 34 -17.731 -2.784 0.261 273 2HD PRO 34 2HD PRO 34 -18.118 -3.659 -1.207 274 H VAL 35 H VAL 35 -21.919 0.444 -0.122 275 HA VAL 35 HA VAL 35 -20.348 2.598 0.814 276 HB VAL 35 HB VAL 35 -22.682 2.731 -0.004 277 1HG1 VAL 35 1HG1 VAL 35 -23.771 1.888 2.637 278 2HG1 VAL 35 2HG1 VAL 35 -24.474 1.756 1.006 279 3HG1 VAL 35 3HG1 VAL 35 -23.235 0.593 1.538 280 1HG2 VAL 35 1HG2 VAL 35 -21.458 4.287 1.820 281 2HG2 VAL 35 2HG2 VAL 35 -23.108 4.598 1.227 282 3HG2 VAL 35 3HG2 VAL 35 -22.863 3.768 2.782 283 H ILE 36 H ILE 36 -18.950 0.659 1.928 284 HA ILE 36 HA ILE 36 -19.523 1.002 4.741 285 HB ILE 36 HB ILE 36 -19.977 -1.507 3.308 286 1HG1 ILE 36 1HG1 ILE 36 -20.653 -0.834 6.170 287 2HG1 ILE 36 2HG1 ILE 36 -21.534 -0.118 4.836 288 1HG2 ILE 36 1HG2 ILE 36 -17.842 -2.174 4.130 289 2HG2 ILE 36 2HG2 ILE 36 -18.169 -1.475 5.735 290 3HG2 ILE 36 3HG2 ILE 36 -19.073 -2.907 5.188 291 1HD1 ILE 36 1HD1 ILE 36 -22.806 -1.990 4.761 292 2HD1 ILE 36 2HD1 ILE 36 -21.368 -2.879 4.204 293 3HD1 ILE 36 3HD1 ILE 36 -21.751 -2.805 5.940 294 H ALA 37 H ALA 37 -17.620 0.452 6.088 295 HA ALA 37 HA ALA 37 -15.169 0.591 4.469 296 1HB ALA 37 1HB ALA 37 -15.858 2.630 5.851 297 2HB ALA 37 2HB ALA 37 -15.551 1.634 7.295 298 3HB ALA 37 3HB ALA 37 -14.227 1.989 6.160 299 H GLU 38 H GLU 38 -16.918 -0.878 7.213 300 HA GLU 38 HA GLU 38 -14.757 -2.279 8.248 301 1HB GLU 38 1HB GLU 38 -17.273 -1.862 9.086 302 2HB GLU 38 2HB GLU 38 -17.533 -3.440 8.369 303 1HG GLU 38 1HG GLU 38 -15.921 -4.489 9.809 304 2HG GLU 38 2HG GLU 38 -15.220 -2.954 10.283 305 H ALA 39 H ALA 39 -16.436 -2.601 5.262 306 HA ALA 39 HA ALA 39 -15.920 -5.449 5.040 307 1HB ALA 39 1HB ALA 39 -18.027 -4.269 4.208 308 2HB ALA 39 2HB ALA 39 -17.010 -3.540 2.942 309 3HB ALA 39 3HB ALA 39 -17.199 -5.308 3.024 310 H VAL 40 H VAL 40 -14.427 -2.362 4.372 311 HA VAL 40 HA VAL 40 -12.893 -3.102 2.143 312 HB VAL 40 HB VAL 40 -13.239 -0.876 3.898 313 1HG1 VAL 40 1HG1 VAL 40 -10.940 -0.012 3.996 314 2HG1 VAL 40 2HG1 VAL 40 -11.106 -1.521 4.925 315 3HG1 VAL 40 3HG1 VAL 40 -10.332 -1.543 3.323 316 1HG2 VAL 40 1HG2 VAL 40 -13.056 -1.365 1.198 317 2HG2 VAL 40 2HG2 VAL 40 -13.098 0.246 1.952 318 3HG2 VAL 40 3HG2 VAL 40 -11.538 -0.495 1.525 319 H GLU 41 H GLU 41 -12.400 -3.384 5.699 320 HA GLU 41 HA GLU 41 -9.794 -4.488 5.270 321 1HB GLU 41 1HB GLU 41 -11.295 -3.357 7.492 322 2HB GLU 41 2HB GLU 41 -10.614 -4.900 7.967 323 1HG GLU 41 1HG GLU 41 -8.680 -3.312 6.423 324 2HG GLU 41 2HG GLU 41 -9.253 -2.429 7.824 325 H ARG 42 H ARG 42 -13.113 -5.574 6.076 326 HA ARG 42 HA ARG 42 -12.408 -8.152 6.811 327 1HB ARG 42 1HB ARG 42 -14.628 -7.146 7.293 328 2HB ARG 42 2HB ARG 42 -14.996 -7.077 5.581 329 1HG ARG 42 1HG ARG 42 -16.058 -9.074 6.099 330 2HG ARG 42 2HG ARG 42 -14.474 -9.705 5.694 331 1HD ARG 42 1HD ARG 42 -13.831 -9.693 8.100 332 2HD ARG 42 2HD ARG 42 -15.383 -8.999 8.527 333 HE ARG 42 HE ARG 42 -15.953 -11.337 7.048 334 1HH1 ARG 42 1HH1 ARG 42 -15.926 -13.635 9.673 335 2HH1 ARG 42 2HH1 ARG 42 -16.447 -13.330 8.051 336 1HH2 ARG 42 1HH2 ARG 42 -14.726 -12.020 10.830 337 2HH2 ARG 42 2HH2 ARG 42 -14.352 -10.509 10.071 338 H GLU 43 H GLU 43 -12.999 -6.563 3.666 339 HA GLU 43 HA GLU 43 -13.095 -9.046 2.270 340 1HB GLU 43 1HB GLU 43 -13.009 -6.138 1.378 341 2HB GLU 43 2HB GLU 43 -13.003 -7.465 0.233 342 1HG GLU 43 1HG GLU 43 -15.115 -7.460 2.391 343 2HG GLU 43 2HG GLU 43 -15.295 -6.335 1.059 344 H GLN 44 H GLN 44 -10.961 -6.177 1.640 345 HA GLN 44 HA GLN 44 -8.636 -7.766 2.037 346 1HB GLN 44 1HB GLN 44 -9.779 -7.854 -0.529 347 2HB GLN 44 2HB GLN 44 -8.502 -6.665 -0.685 348 1HG GLN 44 1HG GLN 44 -7.747 -9.118 0.838 349 2HG GLN 44 2HG GLN 44 -8.116 -9.388 -0.854 350 1HE2 GLN 44 1HE2 GLN 44 -6.732 -8.785 -2.397 351 2HE2 GLN 44 2HE2 GLN 44 -5.216 -7.984 -2.140 352 HA PRO 45 HA PRO 45 -7.705 -3.548 2.923 353 1HB PRO 45 1HB PRO 45 -5.578 -4.027 4.572 354 2HB PRO 45 2HB PRO 45 -7.237 -3.985 5.135 355 1HG PRO 45 1HG PRO 45 -5.488 -6.327 4.696 356 2HG PRO 45 2HG PRO 45 -6.961 -6.219 5.639 357 1HD PRO 45 1HD PRO 45 -6.672 -7.388 3.036 358 2HD PRO 45 2HD PRO 45 -8.164 -7.174 3.930 359 H GLU 46 H GLU 46 -6.642 -2.049 1.776 360 HA GLU 46 HA GLU 46 -5.009 -2.932 -0.254 361 1HB GLU 46 1HB GLU 46 -4.419 -0.491 -0.509 362 2HB GLU 46 2HB GLU 46 -6.142 -0.804 -0.422 363 1HG GLU 46 1HG GLU 46 -6.045 0.900 1.136 364 2HG GLU 46 2HG GLU 46 -5.705 -0.437 2.217 365 H HIS 47 H HIS 47 -4.163 -1.365 2.909 366 HA HIS 47 HA HIS 47 -1.487 -1.163 2.628 367 1HB HIS 47 1HB HIS 47 -1.358 -1.034 4.956 368 2HB HIS 47 2HB HIS 47 -2.981 -0.493 4.575 369 HD1 HIS 47 1HD HIS 47 -4.976 -2.025 5.296 370 HD2 HIS 47 2HD HIS 47 -1.192 -3.477 6.379 371 HE1 HIS 47 1HE HIS 47 -5.384 -3.905 6.972 372 H LEU 48 H LEU 48 -3.381 -4.111 3.507 373 HA LEU 48 HA LEU 48 -1.292 -5.789 4.084 374 1HB LEU 48 1HB LEU 48 -4.089 -5.975 3.471 375 2HB LEU 48 2HB LEU 48 -3.233 -7.270 2.657 376 HG LEU 48 HG LEU 48 -4.022 -8.033 4.803 377 1HD1 LEU 48 1HD1 LEU 48 -1.976 -8.908 5.744 378 2HD1 LEU 48 2HD1 LEU 48 -1.855 -8.883 3.968 379 3HD1 LEU 48 3HD1 LEU 48 -1.021 -7.643 4.934 380 1HD2 LEU 48 1HD2 LEU 48 -3.500 -7.046 6.893 381 2HD2 LEU 48 2HD2 LEU 48 -2.324 -5.930 6.158 382 3HD2 LEU 48 3HD2 LEU 48 -4.064 -5.727 5.839 383 H ARG 49 H ARG 49 -2.276 -4.390 1.006 384 HA ARG 49 HA ARG 49 -1.200 -6.267 -0.681 385 1HB ARG 49 1HB ARG 49 -1.451 -4.630 -2.374 386 2HB ARG 49 2HB ARG 49 -2.602 -4.097 -1.166 387 1HG ARG 49 1HG ARG 49 -0.678 -2.630 -0.211 388 2HG ARG 49 2HG ARG 49 0.183 -2.985 -1.696 389 1HD ARG 49 1HD ARG 49 -1.090 -1.524 -2.904 390 2HD ARG 49 2HD ARG 49 -2.586 -2.159 -2.248 391 HE ARG 49 HE ARG 49 -2.496 -0.560 -0.479 392 1HH1 ARG 49 1HH1 ARG 49 -0.376 2.202 -0.252 393 2HH1 ARG 49 2HH1 ARG 49 -1.821 1.460 0.349 394 1HH2 ARG 49 1HH2 ARG 49 0.875 1.145 -1.896 395 2HH2 ARG 49 2HH2 ARG 49 0.363 -0.386 -2.523 396 H SER 50 H SER 50 0.287 -3.508 1.086 397 HA SER 50 HA SER 50 2.853 -4.264 -0.051 398 1HB SER 50 1HB SER 50 1.719 -1.732 1.104 399 2HB SER 50 2HB SER 50 3.436 -2.006 1.317 400 HG SER 50 HG SER 50 1.972 -1.880 -1.174 401 H TRP 51 H TRP 51 0.892 -4.183 2.884 402 HA TRP 51 HA TRP 51 3.033 -4.420 4.727 403 1HB TRP 51 1HB TRP 51 0.075 -4.583 4.783 404 2HB TRP 51 2HB TRP 51 0.921 -5.459 6.044 405 HD1 TRP 51 HD TRP 51 1.078 -3.963 8.169 406 HE1 TRP 51 1HE TRP 51 1.451 -1.425 8.791 407 HE3 TRP 51 3HE TRP 51 1.388 -2.289 3.377 408 HZ2 TRP 51 2HZ TRP 51 1.824 0.943 7.243 409 HZ3 TRP 51 3HZ TRP 51 1.758 0.149 3.020 410 HH2 TRP 51 HH TRP 51 1.975 1.747 4.858 411 H PHE 52 H PHE 52 1.445 -6.532 2.438 412 HA PHE 52 HA PHE 52 2.545 -8.872 3.818 413 1HB PHE 52 1HB PHE 52 0.030 -8.567 3.085 414 2HB PHE 52 2HB PHE 52 0.612 -8.713 1.438 415 HD1 PHE 52 1HD PHE 52 0.499 -10.510 4.686 416 HD2 PHE 52 2HD PHE 52 0.935 -10.823 0.476 417 HE1 PHE 52 1HE PHE 52 0.355 -13.011 4.856 418 HE2 PHE 52 2HE PHE 52 0.791 -13.323 0.647 419 HZ PHE 52 HZ PHE 52 0.503 -14.387 2.835 420 H ARG 53 H ARG 53 2.358 -7.117 0.671 421 HA ARG 53 HA ARG 53 4.258 -8.972 -0.431 422 1HB ARG 53 1HB ARG 53 2.148 -7.590 -1.545 423 2HB ARG 53 2HB ARG 53 3.476 -6.531 -1.979 424 1HG ARG 53 1HG ARG 53 4.226 -7.977 -3.566 425 2HG ARG 53 2HG ARG 53 4.221 -9.321 -2.442 426 1HD ARG 53 1HD ARG 53 1.928 -8.322 -4.174 427 2HD ARG 53 2HD ARG 53 2.647 -9.920 -4.153 428 HE ARG 53 HE ARG 53 1.650 -9.454 -1.544 429 1HH1 ARG 53 1HH1 ARG 53 -1.586 -10.669 -2.025 430 2HH1 ARG 53 2HH1 ARG 53 -0.373 -10.266 -0.857 431 1HH2 ARG 53 1HH2 ARG 53 -1.158 -10.386 -4.288 432 2HH2 ARG 53 2HH2 ARG 53 0.376 -9.772 -4.809 433 H GLU 54 H GLU 54 4.476 -6.435 1.647 434 HA GLU 54 HA GLU 54 5.974 -4.480 0.811 435 1HB GLU 54 1HB GLU 54 6.326 -4.201 3.024 436 2HB GLU 54 2HB GLU 54 5.589 -5.770 3.278 437 1HG GLU 54 1HG GLU 54 7.726 -5.908 4.344 438 2HG GLU 54 2HG GLU 54 7.905 -6.805 2.849 439 H ARG 55 H ARG 55 7.054 -7.886 0.989 440 HA ARG 55 HA ARG 55 9.671 -7.761 0.849 441 1HB ARG 55 1HB ARG 55 7.609 -9.515 -0.330 442 2HB ARG 55 2HB ARG 55 9.092 -9.539 -1.265 443 1HG ARG 55 1HG ARG 55 10.317 -10.533 0.431 444 2HG ARG 55 2HG ARG 55 9.447 -9.696 1.702 445 1HD ARG 55 1HD ARG 55 8.328 -11.645 2.067 446 2HD ARG 55 2HD ARG 55 7.476 -11.342 0.566 447 HE ARG 55 HE ARG 55 9.890 -12.511 -0.226 448 1HH1 ARG 55 1HH1 ARG 55 9.101 -15.886 0.186 449 2HH1 ARG 55 2HH1 ARG 55 10.153 -14.751 -0.592 450 1HH2 ARG 55 1HH2 ARG 55 7.422 -15.130 1.598 451 2HH2 ARG 55 2HH2 ARG 55 7.222 -13.433 1.876 452 H LEU 56 H LEU 56 7.493 -7.355 -2.042 453 HA LEU 56 HA LEU 56 9.752 -6.058 -3.399 454 1HB LEU 56 1HB LEU 56 8.081 -8.193 -4.186 455 2HB LEU 56 2HB LEU 56 7.606 -6.814 -5.157 456 HG LEU 56 HG LEU 56 9.261 -8.085 -6.345 457 1HD1 LEU 56 1HD1 LEU 56 10.512 -5.540 -5.276 458 2HD1 LEU 56 2HD1 LEU 56 10.946 -6.378 -6.785 459 3HD1 LEU 56 3HD1 LEU 56 9.332 -5.649 -6.603 460 1HD2 LEU 56 1HD2 LEU 56 11.402 -8.676 -5.540 461 2HD2 LEU 56 2HD2 LEU 56 11.241 -7.629 -4.109 462 3HD2 LEU 56 3HD2 LEU 56 10.256 -9.106 -4.247 463 H ILE 57 H ILE 57 9.282 -4.051 -2.246 464 HA ILE 57 HA ILE 57 6.754 -2.850 -2.356 465 HB ILE 57 HB ILE 57 8.515 -2.296 -0.748 466 1HG1 ILE 57 1HG1 ILE 57 7.944 0.245 -2.241 467 2HG1 ILE 57 2HG1 ILE 57 6.605 -0.696 -1.614 468 1HG2 ILE 57 1HG2 ILE 57 10.590 -1.763 -1.326 469 2HG2 ILE 57 2HG2 ILE 57 10.149 -2.072 -3.022 470 3HG2 ILE 57 3HG2 ILE 57 10.018 -0.428 -2.354 471 1HD1 ILE 57 1HD1 ILE 57 8.860 -0.313 0.299 472 2HD1 ILE 57 2HD1 ILE 57 7.977 1.166 -0.148 473 3HD1 ILE 57 3HD1 ILE 57 7.104 -0.207 0.572 474 H ALA 58 H ALA 58 9.481 -3.025 -4.633 475 HA ALA 58 HA ALA 58 8.977 -0.892 -6.254 476 1HB ALA 58 1HB ALA 58 10.217 -2.071 -7.893 477 2HB ALA 58 2HB ALA 58 10.807 -2.710 -6.340 478 3HB ALA 58 3HB ALA 58 9.649 -3.652 -7.309 479 H HIS 59 H HIS 59 7.076 -0.189 -7.087 480 HA HIS 59 HA HIS 59 5.655 -1.565 -8.949 481 1HB HIS 59 1HB HIS 59 5.055 -2.552 -6.321 482 2HB HIS 59 2HB HIS 59 3.640 -1.724 -6.942 483 HD1 HIS 59 1HD HIS 59 3.589 -2.477 -9.874 484 HD2 HIS 59 2HD HIS 59 4.642 -5.192 -6.856 485 HE1 HIS 59 1HE HIS 59 3.184 -4.805 -10.835 486 H ARG 60 H ARG 60 3.112 -0.584 -8.821 487 HA ARG 60 HA ARG 60 3.357 2.145 -7.919 488 1HB ARG 60 1HB ARG 60 2.329 2.861 -10.208 489 2HB ARG 60 2HB ARG 60 4.042 2.488 -10.174 490 1HG ARG 60 1HG ARG 60 3.424 0.090 -10.869 491 2HG ARG 60 2HG ARG 60 1.787 0.663 -11.121 492 1HD ARG 60 1HD ARG 60 2.343 1.843 -13.033 493 2HD ARG 60 2HD ARG 60 3.913 2.317 -12.418 494 HE ARG 60 HE ARG 60 3.818 -0.539 -12.909 495 1HH1 ARG 60 1HH1 ARG 60 5.491 -0.353 -15.965 496 2HH1 ARG 60 2HH1 ARG 60 4.969 -1.398 -14.687 497 1HH2 ARG 60 1HH2 ARG 60 5.023 1.919 -15.873 498 2HH2 ARG 60 2HH2 ARG 60 4.151 2.569 -14.525 499 H LEU 61 H LEU 61 1.697 1.771 -6.370 500 HA LEU 61 HA LEU 61 -0.879 0.923 -7.495 501 1HB LEU 61 1HB LEU 61 -0.075 0.825 -4.595 502 2HB LEU 61 2HB LEU 61 -1.461 0.075 -5.362 503 HG LEU 61 HG LEU 61 0.759 -0.994 -6.705 504 1HD1 LEU 61 1HD1 LEU 61 2.443 -1.442 -5.272 505 2HD1 LEU 61 2HD1 LEU 61 1.861 0.036 -4.469 506 3HD1 LEU 61 3HD1 LEU 61 1.364 -1.562 -3.861 507 1HD2 LEU 61 1HD2 LEU 61 -0.383 -2.570 -4.475 508 2HD2 LEU 61 2HD2 LEU 61 -1.551 -1.903 -5.641 509 3HD2 LEU 61 3HD2 LEU 61 -0.232 -2.955 -6.207 510 H ALA 62 H ALA 62 -2.685 1.866 -5.739 511 HA ALA 62 HA ALA 62 -3.779 3.663 -5.046 512 1HB ALA 62 1HB ALA 62 -2.457 4.631 -3.500 513 2HB ALA 62 2HB ALA 62 -0.986 4.266 -4.435 514 3HB ALA 62 3HB ALA 62 -1.917 5.744 -4.780 515 H SER 63 H SER 63 -4.889 3.784 -7.067 516 HA SER 63 HA SER 63 -4.428 6.224 -8.397 517 1HB SER 63 1HB SER 63 -4.109 5.227 -10.690 518 2HB SER 63 2HB SER 63 -2.734 5.009 -9.626 519 HG SER 63 HG SER 63 -3.345 2.834 -9.258 520 H VAL 64 H VAL 64 -6.599 5.387 -6.939 521 HA VAL 64 HA VAL 64 -8.564 4.768 -9.034 522 HB VAL 64 HB VAL 64 -8.464 3.814 -6.168 523 1HG1 VAL 64 1HG1 VAL 64 -10.743 4.332 -7.835 524 2HG1 VAL 64 2HG1 VAL 64 -10.584 2.575 -7.602 525 3HG1 VAL 64 3HG1 VAL 64 -10.687 3.654 -6.190 526 1HG2 VAL 64 1HG2 VAL 64 -7.341 2.719 -8.467 527 2HG2 VAL 64 2HG2 VAL 64 -7.672 1.868 -6.939 528 3HG2 VAL 64 3HG2 VAL 64 -8.863 1.820 -8.262 529 H ASN 65 H ASN 65 -9.669 5.300 -5.781 530 HA ASN 65 HA ASN 65 -11.356 7.252 -6.289 531 1HB ASN 65 1HB ASN 65 -10.328 6.088 -3.980 532 2HB ASN 65 2HB ASN 65 -9.838 7.757 -3.766 533 1HD2 ASN 65 1HD2 ASN 65 -11.532 6.804 -1.988 534 2HD2 ASN 65 2HD2 ASN 65 -13.142 7.409 -2.193 535 H LEU 66 H LEU 66 -7.816 7.572 -5.694 536 HA LEU 66 HA LEU 66 -6.486 9.379 -5.608 537 1HB LEU 66 1HB LEU 66 -6.092 10.216 -7.724 538 2HB LEU 66 2HB LEU 66 -6.827 8.652 -8.016 539 HG LEU 66 HG LEU 66 -9.013 10.341 -8.035 540 1HD1 LEU 66 1HD1 LEU 66 -7.489 11.862 -9.946 541 2HD1 LEU 66 2HD1 LEU 66 -8.486 12.425 -8.582 542 3HD1 LEU 66 3HD1 LEU 66 -6.771 12.023 -8.325 543 1HD2 LEU 66 1HD2 LEU 66 -8.331 10.153 -10.693 544 2HD2 LEU 66 2HD2 LEU 66 -7.432 8.801 -9.962 545 3HD2 LEU 66 3HD2 LEU 66 -9.196 8.918 -9.746 546 H SER 67 H SER 67 -7.762 10.197 -3.679 547 HA SER 67 HA SER 67 -9.780 12.002 -3.887 548 1HB SER 67 1HB SER 67 -7.518 12.153 -1.850 549 2HB SER 67 2HB SER 67 -9.161 12.725 -1.638 550 HG SER 67 HG SER 67 -9.850 10.436 -1.942 551 H ARG 68 H ARG 68 -9.180 14.461 -2.815 552 HA ARG 68 HA ARG 68 -7.666 15.616 -4.982 553 1HB ARG 68 1HB ARG 68 -9.980 16.464 -4.417 554 2HB ARG 68 2HB ARG 68 -9.392 16.967 -2.845 555 1HG ARG 68 1HG ARG 68 -7.573 18.302 -4.218 556 2HG ARG 68 2HG ARG 68 -8.662 18.081 -5.572 557 1HD ARG 68 1HD ARG 68 -10.400 19.351 -4.556 558 2HD ARG 68 2HD ARG 68 -9.739 19.151 -2.945 559 HE ARG 68 HE ARG 68 -7.845 20.547 -4.617 560 1HH1 ARG 68 1HH1 ARG 68 -8.725 23.736 -3.508 561 2HH1 ARG 68 2HH1 ARG 68 -7.532 22.794 -4.337 562 1HH2 ARG 68 1HH2 ARG 68 -10.640 22.719 -2.680 563 2HH2 ARG 68 2HH2 ARG 68 -10.876 21.016 -2.892 564 H LEU 69 H LEU 69 -5.641 16.540 -4.675 565 HA LEU 69 HA LEU 69 -4.061 16.042 -2.579 566 1HB LEU 69 1HB LEU 69 -3.230 16.936 -4.629 567 2HB LEU 69 2HB LEU 69 -4.098 18.442 -4.405 568 HG LEU 69 HG LEU 69 -2.606 18.562 -2.197 569 1HD1 LEU 69 1HD1 LEU 69 -0.646 17.192 -4.016 570 2HD1 LEU 69 2HD1 LEU 69 -0.544 17.515 -2.268 571 3HD1 LEU 69 3HD1 LEU 69 -1.638 16.249 -2.877 572 1HD2 LEU 69 1HD2 LEU 69 -1.492 19.246 -4.929 573 2HD2 LEU 69 2HD2 LEU 69 -2.720 20.201 -4.064 574 3HD2 LEU 69 3HD2 LEU 69 -1.089 20.012 -3.375 575 HA PRO 70 HA PRO 70 -6.172 18.398 0.508 576 1HB PRO 70 1HB PRO 70 -5.337 16.914 2.644 577 2HB PRO 70 2HB PRO 70 -6.797 16.558 1.742 578 1HG PRO 70 1HG PRO 70 -4.192 15.160 1.680 579 2HG PRO 70 2HG PRO 70 -5.757 14.592 1.133 580 1HD PRO 70 1HD PRO 70 -3.605 15.538 -0.510 581 2HD PRO 70 2HD PRO 70 -5.209 15.078 -1.046 582 H TYR 71 H TYR 71 -5.399 19.312 2.778 583 HA TYR 71 HA TYR 71 -4.001 20.720 3.765 584 1HB TYR 71 1HB TYR 71 -2.492 18.429 2.794 585 2HB TYR 71 2HB TYR 71 -1.489 19.842 2.529 586 HD1 TYR 71 1HD TYR 71 0.012 20.351 4.214 587 HD2 TYR 71 2HD TYR 71 -3.691 18.481 5.259 588 HE1 TYR 71 1HE TYR 71 0.720 20.296 6.656 589 HE2 TYR 71 2HE TYR 71 -2.971 18.433 7.696 590 HH TYR 71 HH TYR 71 -1.032 18.488 8.999 591 H GLU 72 H GLU 72 -2.075 22.360 3.330 592 HA GLU 72 HA GLU 72 -1.285 24.036 2.195 593 1HB GLU 72 1HB GLU 72 -1.248 21.940 0.296 594 2HB GLU 72 2HB GLU 72 -1.938 23.302 -0.563 595 1HG GLU 72 1HG GLU 72 0.408 24.001 1.129 596 2HG GLU 72 2HG GLU 72 0.773 22.885 -0.172 597 HA PRO 73 HA PRO 73 -5.481 25.638 1.651 598 1HB PRO 73 1HB PRO 73 -5.418 27.481 3.667 599 2HB PRO 73 2HB PRO 73 -6.050 25.860 3.871 600 1HG PRO 73 1HG PRO 73 -3.479 26.979 4.808 601 2HG PRO 73 2HG PRO 73 -4.309 25.532 5.348 602 1HD PRO 73 1HD PRO 73 -2.025 25.656 3.617 603 2HD PRO 73 2HD PRO 73 -2.925 24.220 4.064 604 H LYS 74 H LYS 74 -6.188 28.181 1.682 605 HA LYS 74 HA LYS 74 -5.184 29.239 -0.553 606 1HB LYS 74 1HB LYS 74 -6.600 30.249 1.793 607 2HB LYS 74 2HB LYS 74 -5.610 31.485 1.043 608 1HG LYS 74 1HG LYS 74 -7.458 31.719 -0.316 609 2HG LYS 74 2HG LYS 74 -6.680 30.429 -1.211 610 1HD LYS 74 1HD LYS 74 -8.526 29.157 -0.881 611 2HD LYS 74 2HD LYS 74 -8.138 29.104 0.827 612 1HE LYS 74 2HE LYS 74 -9.445 31.170 1.227 613 2HE LYS 74 3HE LYS 74 -9.759 31.336 -0.489 614 1HZ LYS 74 1HZ LYS 74 -11.575 30.283 0.692 615 2HZ LYS 74 2HZ LYS 74 -10.955 29.274 -0.432 616 3HZ LYS 74 3HZ LYS 74 -10.608 29.047 1.146 617 H LEU 75 H LEU 75 -3.948 30.160 2.743 618 HA LEU 75 HA LEU 75 -1.971 30.881 3.409 619 1HB LEU 75 1HB LEU 75 -1.112 28.778 2.813 620 2HB LEU 75 2HB LEU 75 -1.134 29.147 1.100 621 HG LEU 75 HG LEU 75 0.569 31.081 2.171 622 1HD1 LEU 75 1HD1 LEU 75 0.739 30.020 4.300 623 2HD1 LEU 75 2HD1 LEU 75 1.001 28.424 3.556 624 3HD1 LEU 75 3HD1 LEU 75 2.247 29.689 3.415 625 1HD2 LEU 75 1HD2 LEU 75 1.377 30.353 0.211 626 2HD2 LEU 75 2HD2 LEU 75 2.282 29.187 1.206 627 3HD2 LEU 75 3HD2 LEU 75 0.748 28.704 0.444 628 H LYS 76 H LYS 76 -2.254 33.097 3.226 629 HA LYS 76 HA LYS 76 -1.163 34.246 0.753 630 1HB LYS 76 1HB LYS 76 -3.637 34.467 0.865 631 2HB LYS 76 2HB LYS 76 -3.479 35.337 2.377 632 1HG LYS 76 1HG LYS 76 -1.673 36.641 0.637 633 2HG LYS 76 2HG LYS 76 -3.066 36.296 -0.369 634 1HD LYS 76 1HD LYS 76 -4.283 37.198 1.955 635 2HD LYS 76 2HD LYS 76 -2.816 38.156 1.940 636 1HE LYS 76 2HE LYS 76 -3.578 38.365 -0.702 637 2HE LYS 76 3HE LYS 76 -5.144 38.223 0.071 638 1HZ LYS 76 1HZ LYS 76 -3.645 39.963 1.592 639 2HZ LYS 76 2HZ LYS 76 -3.429 40.417 0.039 640 3HZ LYS 76 3HZ LYS 76 -4.937 40.317 0.658 Start of MODEL 6 1 H MET 1 H MET 1 32.232 -8.546 -2.527 2 HA MET 1 HA MET 1 34.193 -8.135 -1.653 3 1HB MET 1 1HB MET 1 33.899 -6.212 -3.963 4 2HB MET 1 2HB MET 1 35.306 -5.990 -2.943 5 1HG MET 1 1HG MET 1 34.844 -8.830 -3.644 6 2HG MET 1 2HG MET 1 35.093 -7.818 -5.052 7 1HE MET 1 1HE MET 1 36.862 -6.941 -5.837 8 2HE MET 1 2HE MET 1 38.506 -6.793 -5.173 9 3HE MET 1 3HE MET 1 37.928 -8.365 -5.774 10 H LEU 2 H LEU 2 31.867 -6.717 -0.371 11 HA LEU 2 HA LEU 2 33.372 -5.160 1.436 12 1HB LEU 2 1HB LEU 2 32.710 -3.745 -0.816 13 2HB LEU 2 2HB LEU 2 31.364 -3.379 0.245 14 HG LEU 2 HG LEU 2 33.526 -3.021 1.920 15 1HD1 LEU 2 1HD1 LEU 2 34.350 -2.391 -0.898 16 2HD1 LEU 2 2HD1 LEU 2 34.946 -1.402 0.456 17 3HD1 LEU 2 3HD1 LEU 2 35.277 -3.151 0.418 18 1HD2 LEU 2 1HD2 LEU 2 32.652 -0.656 0.350 19 2HD2 LEU 2 2HD2 LEU 2 31.382 -1.594 1.172 20 3HD2 LEU 2 3HD2 LEU 2 32.730 -0.910 2.110 21 H LYS 3 H LYS 3 31.666 -3.960 2.985 22 HA LYS 3 HA LYS 3 29.608 -5.983 3.452 23 1HB LYS 3 1HB LYS 3 31.349 -4.325 5.166 24 2HB LYS 3 2HB LYS 3 29.686 -4.433 5.710 25 1HG LYS 3 1HG LYS 3 30.284 -7.070 4.952 26 2HG LYS 3 2HG LYS 3 31.782 -6.512 5.669 27 1HD LYS 3 1HD LYS 3 30.206 -5.582 7.591 28 2HD LYS 3 2HD LYS 3 29.039 -6.717 6.942 29 1HE LYS 3 2HE LYS 3 31.808 -7.782 7.401 30 2HE LYS 3 3HE LYS 3 30.881 -7.393 8.837 31 1HZ LYS 3 1HZ LYS 3 29.059 -8.698 7.536 32 2HZ LYS 3 2HZ LYS 3 30.348 -9.391 6.811 33 3HZ LYS 3 3HZ LYS 3 30.176 -9.483 8.432 34 H ASN 4 H ASN 4 27.433 -5.300 4.067 35 HA ASN 4 HA ASN 4 26.643 -2.656 3.957 36 1HB ASN 4 1HB ASN 4 25.507 -2.540 1.776 37 2HB ASN 4 2HB ASN 4 27.202 -2.898 1.505 38 1HD2 ASN 4 1HD2 ASN 4 27.847 -5.070 1.082 39 2HD2 ASN 4 2HD2 ASN 4 26.766 -6.200 0.339 40 H LEU 5 H LEU 5 24.353 -2.536 4.507 41 HA LEU 5 HA LEU 5 23.059 -5.162 4.768 42 1HB LEU 5 1HB LEU 5 23.053 -2.816 6.666 43 2HB LEU 5 2HB LEU 5 21.934 -4.158 6.780 44 HG LEU 5 HG LEU 5 24.326 -5.484 6.713 45 1HD1 LEU 5 1HD1 LEU 5 26.060 -4.368 7.629 46 2HD1 LEU 5 2HD1 LEU 5 25.224 -2.952 6.949 47 3HD1 LEU 5 3HD1 LEU 5 25.017 -3.368 8.668 48 1HD2 LEU 5 1HD2 LEU 5 23.298 -4.513 9.354 49 2HD2 LEU 5 2HD2 LEU 5 22.251 -5.509 8.315 50 3HD2 LEU 5 3HD2 LEU 5 23.825 -6.138 8.858 51 H ALA 6 H ALA 6 20.532 -4.740 5.140 52 HA ALA 6 HA ALA 6 19.725 -2.677 3.209 53 1HB ALA 6 1HB ALA 6 18.861 -5.584 3.415 54 2HB ALA 6 2HB ALA 6 17.960 -4.361 2.488 55 3HB ALA 6 3HB ALA 6 19.632 -4.770 2.033 56 H LYS 7 H LYS 7 17.416 -4.922 4.610 57 HA LYS 7 HA LYS 7 16.632 -2.819 6.508 58 1HB LYS 7 1HB LYS 7 14.297 -4.091 6.037 59 2HB LYS 7 2HB LYS 7 14.825 -2.660 5.175 60 1HG LYS 7 1HG LYS 7 15.648 -5.404 4.179 61 2HG LYS 7 2HG LYS 7 14.044 -4.796 3.820 62 1HD LYS 7 1HD LYS 7 16.483 -3.072 3.275 63 2HD LYS 7 2HD LYS 7 16.013 -4.315 2.133 64 1HE LYS 7 2HE LYS 7 13.739 -3.304 1.949 65 2HE LYS 7 3HE LYS 7 14.178 -2.078 3.121 66 1HZ LYS 7 1HZ LYS 7 15.976 -1.437 1.584 67 2HZ LYS 7 2HZ LYS 7 15.380 -2.474 0.473 68 3HZ LYS 7 3HZ LYS 7 14.482 -1.204 0.968 69 H LEU 8 H LEU 8 16.327 -6.365 5.768 70 HA LEU 8 HA LEU 8 16.628 -8.129 7.077 71 1HB LEU 8 1HB LEU 8 18.458 -6.531 8.077 72 2HB LEU 8 2HB LEU 8 17.373 -6.469 9.452 73 HG LEU 8 HG LEU 8 17.451 -9.033 9.441 74 1HD1 LEU 8 1HD1 LEU 8 19.472 -8.399 7.340 75 2HD1 LEU 8 2HD1 LEU 8 19.828 -9.722 8.477 76 3HD1 LEU 8 3HD1 LEU 8 18.351 -9.774 7.485 77 1HD2 LEU 8 1HD2 LEU 8 20.099 -8.637 10.239 78 2HD2 LEU 8 2HD2 LEU 8 19.309 -7.059 10.473 79 3HD2 LEU 8 3HD2 LEU 8 18.637 -8.515 11.247 80 H ASP 9 H ASP 9 14.139 -7.610 6.608 81 HA ASP 9 HA ASP 9 12.087 -7.738 7.295 82 1HB ASP 9 1HB ASP 9 12.929 -8.640 10.057 83 2HB ASP 9 2HB ASP 9 11.587 -9.207 9.084 84 H GLN 10 H GLN 10 13.176 -5.173 7.574 85 HA GLN 10 HA GLN 10 12.138 -4.316 10.164 86 1HB GLN 10 1HB GLN 10 14.648 -3.948 9.583 87 2HB GLN 10 2HB GLN 10 14.087 -2.721 8.463 88 1HG GLN 10 1HG GLN 10 13.307 -1.312 10.166 89 2HG GLN 10 2HG GLN 10 13.011 -2.633 11.278 90 1HE2 GLN 10 1HE2 GLN 10 14.610 -3.410 12.574 91 2HE2 GLN 10 2HE2 GLN 10 16.163 -2.668 12.763 92 H THR 11 H THR 11 11.211 -4.667 7.051 93 HA THR 11 HA THR 11 10.367 -2.087 6.293 94 HB THR 11 HB THR 11 9.015 -4.692 5.492 95 HG1 THR 11 1HG THR 11 11.037 -5.348 4.883 96 1HG2 THR 11 1HG2 THR 11 8.225 -3.178 3.939 97 2HG2 THR 11 2HG2 THR 11 9.481 -1.982 4.338 98 3HG2 THR 11 3HG2 THR 11 9.850 -3.324 3.229 99 H GLU 12 H GLU 12 8.909 -4.638 8.331 100 HA GLU 12 HA GLU 12 6.357 -3.628 8.373 101 1HB GLU 12 1HB GLU 12 7.374 -5.831 9.364 102 2HB GLU 12 2HB GLU 12 7.662 -4.881 10.809 103 1HG GLU 12 1HG GLU 12 5.147 -4.190 10.631 104 2HG GLU 12 2HG GLU 12 4.994 -5.511 9.490 105 H MET 13 H MET 13 9.324 -2.488 9.911 106 HA MET 13 HA MET 13 8.193 -1.051 11.986 107 1HB MET 13 1HB MET 13 10.680 -1.607 11.478 108 2HB MET 13 2HB MET 13 10.662 -0.268 10.348 109 1HG MET 13 1HG MET 13 9.535 0.550 12.929 110 2HG MET 13 2HG MET 13 11.133 -0.135 13.145 111 1HE MET 13 1HE MET 13 9.896 3.654 12.594 112 2HE MET 13 2HE MET 13 10.190 2.437 13.859 113 3HE MET 13 3HE MET 13 11.484 3.566 13.391 114 H ASP 14 H ASP 14 8.577 -0.329 8.511 115 HA ASP 14 HA ASP 14 7.917 2.412 8.870 116 1HB ASP 14 1HB ASP 14 9.330 1.320 6.978 117 2HB ASP 14 2HB ASP 14 7.804 0.816 6.278 118 H LYS 15 H LYS 15 6.295 -0.682 8.317 119 HA LYS 15 HA LYS 15 3.874 0.507 7.318 120 1HB LYS 15 1HB LYS 15 4.965 -2.215 7.718 121 2HB LYS 15 2HB LYS 15 3.235 -2.072 7.951 122 1HG LYS 15 1HG LYS 15 3.877 -2.575 5.567 123 2HG LYS 15 2HG LYS 15 2.931 -1.109 5.732 124 1HD LYS 15 1HD LYS 15 4.628 -0.288 4.380 125 2HD LYS 15 2HD LYS 15 5.349 0.036 5.945 126 1HE LYS 15 2HE LYS 15 6.482 -2.258 5.796 127 2HE LYS 15 3HE LYS 15 5.898 -2.371 4.148 128 1HZ LYS 15 1HZ LYS 15 7.770 -1.306 3.676 129 2HZ LYS 15 2HZ LYS 15 7.026 0.051 4.199 130 3HZ LYS 15 3HZ LYS 15 8.013 -0.778 5.202 131 H VAL 16 H VAL 16 5.180 -0.788 10.405 132 HA VAL 16 HA VAL 16 2.804 -0.790 11.835 133 HB VAL 16 HB VAL 16 5.530 -1.259 12.271 134 1HG1 VAL 16 1HG1 VAL 16 4.459 0.773 14.258 135 2HG1 VAL 16 2HG1 VAL 16 5.965 -0.160 14.434 136 3HG1 VAL 16 3HG1 VAL 16 5.798 1.022 13.113 137 1HG2 VAL 16 1HG2 VAL 16 3.090 -1.529 14.050 138 2HG2 VAL 16 2HG2 VAL 16 3.823 -2.767 13.001 139 3HG2 VAL 16 3HG2 VAL 16 4.685 -2.206 14.454 140 H ASN 17 H ASN 17 4.663 1.836 10.514 141 HA ASN 17 HA ASN 17 3.797 3.733 12.440 142 1HB ASN 17 1HB ASN 17 5.883 3.736 10.747 143 2HB ASN 17 2HB ASN 17 4.735 4.489 9.656 144 1HD2 ASN 17 1HD2 ASN 17 5.310 4.677 13.169 145 2HD2 ASN 17 2HD2 ASN 17 5.490 6.397 13.270 146 H VAL 18 H VAL 18 3.346 3.551 8.820 147 HA VAL 18 HA VAL 18 1.232 5.258 8.624 148 HB VAL 18 HB VAL 18 2.065 2.835 7.044 149 1HG1 VAL 18 1HG1 VAL 18 -0.169 2.832 6.436 150 2HG1 VAL 18 2HG1 VAL 18 -0.345 4.590 6.658 151 3HG1 VAL 18 3HG1 VAL 18 0.520 3.955 5.238 152 1HG2 VAL 18 1HG2 VAL 18 3.603 4.338 6.390 153 2HG2 VAL 18 2HG2 VAL 18 2.283 5.070 5.447 154 3HG2 VAL 18 3HG2 VAL 18 2.686 5.708 7.058 155 H ASP 19 H ASP 19 1.337 2.046 10.022 156 HA ASP 19 HA ASP 19 -1.177 1.151 9.640 157 1HB ASP 19 1HB ASP 19 0.203 -0.300 10.856 158 2HB ASP 19 2HB ASP 19 0.807 0.975 11.895 159 H LEU 20 H LEU 20 0.052 3.727 11.814 160 HA LEU 20 HA LEU 20 -2.261 3.989 13.387 161 1HB LEU 20 1HB LEU 20 0.198 5.573 12.847 162 2HB LEU 20 2HB LEU 20 -1.160 6.413 13.568 163 HG LEU 20 HG LEU 20 -0.742 3.937 14.974 164 1HD1 LEU 20 1HD1 LEU 20 1.483 3.703 14.646 165 2HD1 LEU 20 2HD1 LEU 20 1.718 5.414 14.214 166 3HD1 LEU 20 3HD1 LEU 20 1.565 4.939 15.923 167 1HD2 LEU 20 1HD2 LEU 20 -0.066 5.916 16.720 168 2HD2 LEU 20 2HD2 LEU 20 -1.020 6.820 15.520 169 3HD2 LEU 20 3HD2 LEU 20 -1.732 5.412 16.344 170 H ALA 21 H ALA 21 -1.477 4.880 10.097 171 HA ALA 21 HA ALA 21 -3.167 7.081 9.802 172 1HB ALA 21 1HB ALA 21 -2.768 6.803 7.503 173 2HB ALA 21 2HB ALA 21 -1.338 6.050 8.249 174 3HB ALA 21 3HB ALA 21 -2.663 5.031 7.636 175 H ALA 22 H ALA 22 -3.738 3.558 9.091 176 HA ALA 22 HA ALA 22 -5.605 2.357 9.337 177 1HB ALA 22 1HB ALA 22 -7.144 3.038 10.848 178 2HB ALA 22 2HB ALA 22 -6.119 4.480 11.045 179 3HB ALA 22 3HB ALA 22 -7.508 4.522 9.934 180 H ALA 23 H ALA 23 -8.069 2.454 8.355 181 HA ALA 23 HA ALA 23 -9.297 2.597 6.522 182 1HB ALA 23 1HB ALA 23 -8.278 5.205 6.923 183 2HB ALA 23 2HB ALA 23 -8.101 4.877 5.183 184 3HB ALA 23 3HB ALA 23 -9.698 4.735 5.958 185 H GLY 24 H GLY 24 -9.078 1.107 4.936 186 1HA GLY 24 1HA GLY 24 -6.601 1.189 3.324 187 2HA GLY 24 2HA GLY 24 -7.222 -0.309 3.989 188 H VAL 25 H VAL 25 -8.646 2.574 2.272 189 HA VAL 25 HA VAL 25 -9.969 0.648 0.487 190 HB VAL 25 HB VAL 25 -11.041 3.393 0.998 191 1HG1 VAL 25 1HG1 VAL 25 -13.178 1.762 0.845 192 2HG1 VAL 25 2HG1 VAL 25 -12.378 2.455 -0.587 193 3HG1 VAL 25 3HG1 VAL 25 -12.006 0.790 -0.078 194 1HG2 VAL 25 1HG2 VAL 25 -12.505 2.163 2.800 195 2HG2 VAL 25 2HG2 VAL 25 -11.091 1.089 2.926 196 3HG2 VAL 25 3HG2 VAL 25 -10.916 2.833 3.239 197 H ALA 26 H ALA 26 -8.785 4.076 0.754 198 HA ALA 26 HA ALA 26 -8.775 4.820 -1.815 199 1HB ALA 26 1HB ALA 26 -7.513 5.606 0.582 200 2HB ALA 26 2HB ALA 26 -6.206 5.475 -0.618 201 3HB ALA 26 3HB ALA 26 -7.606 6.528 -0.937 202 H PHE 27 H PHE 27 -6.402 2.607 -0.234 203 HA PHE 27 HA PHE 27 -4.490 2.327 -2.047 204 1HB PHE 27 1HB PHE 27 -6.070 0.536 -0.232 205 2HB PHE 27 2HB PHE 27 -5.196 -0.334 -1.476 206 HD1 PHE 27 1HD PHE 27 -4.977 1.177 1.721 207 HD2 PHE 27 2HD PHE 27 -2.667 0.193 -1.701 208 HE1 PHE 27 1HE PHE 27 -2.881 1.317 3.095 209 HE2 PHE 27 2HE PHE 27 -0.572 0.334 -0.327 210 HZ PHE 27 HZ PHE 27 -0.703 0.894 2.055 211 H LYS 28 H LYS 28 -7.269 -0.002 -2.202 212 HA LYS 28 HA LYS 28 -7.836 0.564 -4.904 213 1HB LYS 28 1HB LYS 28 -5.686 -0.466 -5.349 214 2HB LYS 28 2HB LYS 28 -6.098 -1.861 -4.371 215 1HG LYS 28 1HG LYS 28 -7.657 -2.681 -5.940 216 2HG LYS 28 2HG LYS 28 -7.936 -1.104 -6.649 217 1HD LYS 28 1HD LYS 28 -6.170 -1.299 -8.102 218 2HD LYS 28 2HD LYS 28 -5.123 -2.014 -6.893 219 1HE LYS 28 2HE LYS 28 -5.404 -3.955 -8.066 220 2HE LYS 28 3HE LYS 28 -6.958 -4.050 -7.263 221 1HZ LYS 28 1HZ LYS 28 -6.459 -2.807 -9.879 222 2HZ LYS 28 2HZ LYS 28 -7.217 -4.230 -9.617 223 3HZ LYS 28 3HZ LYS 28 -7.907 -2.834 -9.123 224 H GLU 29 H GLU 29 -9.995 0.540 -4.380 225 HA GLU 29 HA GLU 29 -11.252 -0.941 -2.566 226 1HB GLU 29 1HB GLU 29 -13.176 -0.921 -4.500 227 2HB GLU 29 2HB GLU 29 -12.757 0.479 -3.532 228 1HG GLU 29 1HG GLU 29 -11.050 0.041 -5.948 229 2HG GLU 29 2HG GLU 29 -12.722 0.449 -6.277 230 H ARG 30 H ARG 30 -10.473 -1.965 -5.949 231 HA ARG 30 HA ARG 30 -10.278 -3.916 -6.858 232 1HB ARG 30 1HB ARG 30 -9.009 -4.466 -4.689 233 2HB ARG 30 2HB ARG 30 -10.485 -5.198 -4.089 234 1HG ARG 30 1HG ARG 30 -10.341 -7.017 -5.522 235 2HG ARG 30 2HG ARG 30 -9.609 -6.085 -6.814 236 1HD ARG 30 1HD ARG 30 -7.722 -6.063 -4.664 237 2HD ARG 30 2HD ARG 30 -8.307 -7.711 -4.775 238 HE ARG 30 HE ARG 30 -6.714 -6.282 -6.782 239 1HH1 ARG 30 1HH1 ARG 30 -6.691 -9.010 -8.958 240 2HH1 ARG 30 2HH1 ARG 30 -5.995 -7.465 -8.601 241 1HH2 ARG 30 1HH2 ARG 30 -8.353 -9.879 -7.590 242 2HH2 ARG 30 2HH2 ARG 30 -8.897 -8.983 -6.212 243 H TYR 31 H TYR 31 -12.441 -4.521 -3.980 244 HA TYR 31 HA TYR 31 -14.240 -6.076 -5.577 245 1HB TYR 31 1HB TYR 31 -15.503 -5.564 -3.192 246 2HB TYR 31 2HB TYR 31 -14.225 -6.758 -3.317 247 HD1 TYR 31 1HD TYR 31 -12.101 -6.430 -2.248 248 HD2 TYR 31 2HD TYR 31 -14.992 -3.276 -2.301 249 HE1 TYR 31 1HE TYR 31 -10.745 -5.148 -0.522 250 HE2 TYR 31 2HE TYR 31 -13.626 -2.005 -0.574 251 HH TYR 31 HH TYR 31 -11.318 -1.890 0.162 252 H ASN 32 H ASN 32 -13.747 -2.716 -5.080 253 HA ASN 32 HA ASN 32 -14.876 -0.956 -5.653 254 1HB ASN 32 1HB ASN 32 -15.430 -2.020 -7.781 255 2HB ASN 32 2HB ASN 32 -16.678 -3.000 -7.037 256 1HD2 ASN 32 1HD2 ASN 32 -15.700 0.379 -7.531 257 2HD2 ASN 32 2HD2 ASN 32 -17.286 1.044 -7.740 258 H MET 33 H MET 33 -15.282 -1.334 -3.103 259 HA MET 33 HA MET 33 -18.059 -1.867 -2.550 260 1HB MET 33 1HB MET 33 -15.487 -1.878 -1.104 261 2HB MET 33 2HB MET 33 -16.709 -1.021 -0.186 262 1HG MET 33 1HG MET 33 -16.543 -3.571 0.211 263 2HG MET 33 2HG MET 33 -18.147 -2.929 -0.079 264 1HE MET 33 1HE MET 33 -17.678 -5.566 -0.049 265 2HE MET 33 2HE MET 33 -18.740 -6.027 -1.402 266 3HE MET 33 3HE MET 33 -17.017 -6.473 -1.430 267 HA PRO 34 HA PRO 34 -19.186 2.273 -1.870 268 1HB PRO 34 1HB PRO 34 -20.678 2.263 0.420 269 2HB PRO 34 2HB PRO 34 -21.299 1.732 -1.130 270 1HG PRO 34 1HG PRO 34 -20.478 0.102 1.195 271 2HG PRO 34 2HG PRO 34 -21.477 -0.357 -0.169 272 1HD PRO 34 1HD PRO 34 -18.729 -1.056 0.256 273 2HD PRO 34 2HD PRO 34 -19.694 -1.416 -1.161 274 H VAL 35 H VAL 35 -19.401 4.196 -0.177 275 HA VAL 35 HA VAL 35 -16.732 4.615 0.625 276 HB VAL 35 HB VAL 35 -19.290 6.090 1.278 277 1HG1 VAL 35 1HG1 VAL 35 -16.827 6.391 2.515 278 2HG1 VAL 35 2HG1 VAL 35 -16.806 7.641 1.248 279 3HG1 VAL 35 3HG1 VAL 35 -18.124 7.608 2.444 280 1HG2 VAL 35 1HG2 VAL 35 -18.727 5.864 -1.157 281 2HG2 VAL 35 2HG2 VAL 35 -18.762 7.542 -0.564 282 3HG2 VAL 35 3HG2 VAL 35 -17.203 6.725 -0.831 283 H ILE 36 H ILE 36 -16.948 2.299 1.792 284 HA ILE 36 HA ILE 36 -17.321 2.967 4.616 285 HB ILE 36 HB ILE 36 -18.816 1.031 3.041 286 1HG1 ILE 36 1HG1 ILE 36 -19.176 1.896 5.919 287 2HG1 ILE 36 2HG1 ILE 36 -19.671 2.880 4.556 288 1HG2 ILE 36 1HG2 ILE 36 -17.354 -0.650 3.828 289 2HG2 ILE 36 2HG2 ILE 36 -17.285 0.061 5.459 290 3HG2 ILE 36 3HG2 ILE 36 -18.784 -0.707 4.886 291 1HD1 ILE 36 1HD1 ILE 36 -20.970 0.519 5.703 292 2HD1 ILE 36 2HD1 ILE 36 -21.625 1.728 4.573 293 3HD1 ILE 36 3HD1 ILE 36 -20.709 0.334 3.952 294 H ALA 37 H ALA 37 -15.988 1.650 6.071 295 HA ALA 37 HA ALA 37 -13.590 0.720 4.662 296 1HB ALA 37 1HB ALA 37 -12.446 1.177 6.804 297 2HB ALA 37 2HB ALA 37 -13.298 2.623 6.208 298 3HB ALA 37 3HB ALA 37 -13.998 1.659 7.531 299 H GLU 38 H GLU 38 -16.066 -0.081 7.142 300 HA GLU 38 HA GLU 38 -14.933 -2.427 8.016 301 1HB GLU 38 1HB GLU 38 -17.006 -1.090 8.875 302 2HB GLU 38 2HB GLU 38 -17.930 -2.040 7.727 303 1HG GLU 38 1HG GLU 38 -18.078 -3.574 9.414 304 2HG GLU 38 2HG GLU 38 -16.447 -4.020 8.949 305 H ALA 39 H ALA 39 -16.196 -1.618 4.913 306 HA ALA 39 HA ALA 39 -16.689 -4.436 4.283 307 1HB ALA 39 1HB ALA 39 -17.253 -2.105 2.449 308 2HB ALA 39 2HB ALA 39 -18.064 -3.687 2.544 309 3HB ALA 39 3HB ALA 39 -18.350 -2.463 3.805 310 H VAL 40 H VAL 40 -14.158 -2.307 4.444 311 HA VAL 40 HA VAL 40 -13.023 -2.993 1.858 312 HB VAL 40 HB VAL 40 -12.652 -0.945 3.914 313 1HG1 VAL 40 1HG1 VAL 40 -10.187 -2.073 2.543 314 2HG1 VAL 40 2HG1 VAL 40 -10.257 -0.600 3.540 315 3HG1 VAL 40 3HG1 VAL 40 -10.557 -2.191 4.280 316 1HG2 VAL 40 1HG2 VAL 40 -12.949 0.311 2.099 317 2HG2 VAL 40 2HG2 VAL 40 -11.442 -0.321 1.392 318 3HG2 VAL 40 3HG2 VAL 40 -12.984 -1.158 1.094 319 H GLU 41 H GLU 41 -12.643 -3.639 5.371 320 HA GLU 41 HA GLU 41 -10.333 -5.243 4.886 321 1HB GLU 41 1HB GLU 41 -11.754 -4.130 7.205 322 2HB GLU 41 2HB GLU 41 -11.257 -5.787 7.486 323 1HG GLU 41 1HG GLU 41 -9.021 -4.619 6.228 324 2HG GLU 41 2HG GLU 41 -9.610 -3.355 7.289 325 H ARG 42 H ARG 42 -13.843 -5.679 5.414 326 HA ARG 42 HA ARG 42 -13.800 -8.371 5.965 327 1HB ARG 42 1HB ARG 42 -15.822 -7.005 6.255 328 2HB ARG 42 2HB ARG 42 -15.887 -6.649 4.540 329 1HG ARG 42 1HG ARG 42 -17.457 -8.386 4.713 330 2HG ARG 42 2HG ARG 42 -16.018 -9.266 4.238 331 1HD ARG 42 1HD ARG 42 -16.098 -8.968 7.147 332 2HD ARG 42 2HD ARG 42 -17.593 -9.679 6.574 333 HE ARG 42 HE ARG 42 -15.697 -11.112 5.183 334 1HH1 ARG 42 1HH1 ARG 42 -14.498 -13.328 7.598 335 2HH1 ARG 42 2HH1 ARG 42 -14.670 -13.023 5.902 336 1HH2 ARG 42 1HH2 ARG 42 -15.308 -11.795 9.141 337 2HH2 ARG 42 2HH2 ARG 42 -16.085 -10.345 8.596 338 H GLU 43 H GLU 43 -13.664 -6.548 2.882 339 HA GLU 43 HA GLU 43 -14.012 -8.912 1.327 340 1HB GLU 43 1HB GLU 43 -13.186 -6.086 0.531 341 2HB GLU 43 2HB GLU 43 -13.563 -7.368 -0.601 342 1HG GLU 43 1HG GLU 43 -15.484 -6.242 1.492 343 2HG GLU 43 2HG GLU 43 -15.518 -5.866 -0.220 344 H GLN 44 H GLN 44 -11.369 -6.444 1.067 345 HA GLN 44 HA GLN 44 -9.412 -8.441 1.637 346 1HB GLN 44 1HB GLN 44 -10.229 -8.166 -1.043 347 2HB GLN 44 2HB GLN 44 -8.747 -7.234 -0.957 348 1HG GLN 44 1HG GLN 44 -7.717 -9.257 -1.252 349 2HG GLN 44 2HG GLN 44 -7.991 -9.456 0.468 350 1HE2 GLN 44 1HE2 GLN 44 -8.429 -11.530 0.704 351 2HE2 GLN 44 2HE2 GLN 44 -9.679 -12.420 -0.099 352 HA PRO 45 HA PRO 45 -7.815 -4.565 2.953 353 1HB PRO 45 1HB PRO 45 -5.863 -5.545 4.597 354 2HB PRO 45 2HB PRO 45 -7.520 -5.300 5.115 355 1HG PRO 45 1HG PRO 45 -6.134 -7.830 4.467 356 2HG PRO 45 2HG PRO 45 -7.613 -7.591 5.374 357 1HD PRO 45 1HD PRO 45 -7.391 -8.508 2.666 358 2HD PRO 45 2HD PRO 45 -8.872 -8.159 3.536 359 H GLU 46 H GLU 46 -7.242 -4.179 0.686 360 HA GLU 46 HA GLU 46 -5.006 -5.133 -0.458 361 1HB GLU 46 1HB GLU 46 -6.848 -3.368 -1.229 362 2HB GLU 46 2HB GLU 46 -5.634 -2.195 -0.759 363 1HG GLU 46 1HG GLU 46 -4.581 -4.446 -2.398 364 2HG GLU 46 2HG GLU 46 -5.753 -3.444 -3.228 365 H HIS 47 H HIS 47 -5.249 -2.976 2.295 366 HA HIS 47 HA HIS 47 -2.650 -1.862 2.016 367 1HB HIS 47 1HB HIS 47 -3.047 -1.002 4.286 368 2HB HIS 47 2HB HIS 47 -4.364 -0.644 3.187 369 HD1 HIS 47 1HD HIS 47 -6.558 -2.251 3.439 370 HD2 HIS 47 2HD HIS 47 -3.785 -2.336 6.585 371 HE1 HIS 47 1HE HIS 47 -7.770 -3.283 5.432 372 H LEU 48 H LEU 48 -4.043 -4.826 3.331 373 HA LEU 48 HA LEU 48 -1.916 -5.446 5.078 374 1HB LEU 48 1HB LEU 48 -4.166 -6.977 3.814 375 2HB LEU 48 2HB LEU 48 -2.913 -7.818 4.704 376 HG LEU 48 HG LEU 48 -5.205 -6.903 5.800 377 1HD1 LEU 48 1HD1 LEU 48 -2.507 -7.540 6.899 378 2HD1 LEU 48 2HD1 LEU 48 -3.721 -6.857 8.007 379 3HD1 LEU 48 3HD1 LEU 48 -4.069 -8.365 7.126 380 1HD2 LEU 48 1HD2 LEU 48 -4.467 -4.534 5.325 381 2HD2 LEU 48 2HD2 LEU 48 -4.925 -4.886 7.008 382 3HD2 LEU 48 3HD2 LEU 48 -3.207 -4.766 6.560 383 H ARG 49 H ARG 49 -2.465 -5.777 1.585 384 HA ARG 49 HA ARG 49 -0.742 -7.743 0.964 385 1HB ARG 49 1HB ARG 49 -0.762 -6.867 -1.240 386 2HB ARG 49 2HB ARG 49 -2.228 -6.198 -0.550 387 1HG ARG 49 1HG ARG 49 -0.831 -4.125 0.091 388 2HG ARG 49 2HG ARG 49 0.455 -4.789 -0.896 389 1HD ARG 49 1HD ARG 49 -2.341 -3.984 -1.821 390 2HD ARG 49 2HD ARG 49 -0.823 -3.234 -2.272 391 HE ARG 49 HE ARG 49 -1.042 -6.104 -2.932 392 1HH1 ARG 49 1HH1 ARG 49 -1.064 -5.429 -6.356 393 2HH1 ARG 49 2HH1 ARG 49 -0.937 -6.661 -5.146 394 1HH2 ARG 49 1HH2 ARG 49 -1.340 -3.211 -5.730 395 2HH2 ARG 49 2HH2 ARG 49 -1.420 -2.789 -4.052 396 H SER 50 H SER 50 -0.032 -4.312 1.788 397 HA SER 50 HA SER 50 2.738 -4.640 1.199 398 1HB SER 50 1HB SER 50 0.934 -2.431 2.089 399 2HB SER 50 2HB SER 50 2.601 -2.298 2.614 400 HG SER 50 HG SER 50 2.323 -3.022 -0.086 401 H TRP 51 H TRP 51 0.554 -4.743 4.021 402 HA TRP 51 HA TRP 51 2.709 -4.742 5.918 403 1HB TRP 51 1HB TRP 51 -0.262 -4.872 6.002 404 2HB TRP 51 2HB TRP 51 0.613 -5.559 7.356 405 HD1 TRP 51 HD TRP 51 1.008 -3.811 9.247 406 HE1 TRP 51 1HE TRP 51 1.281 -1.200 9.512 407 HE3 TRP 51 3HE TRP 51 0.696 -2.745 4.285 408 HZ2 TRP 51 2HZ TRP 51 1.333 0.970 7.659 409 HZ3 TRP 51 3HZ TRP 51 0.865 -0.355 3.597 410 HH2 TRP 51 HH TRP 51 1.174 1.471 5.192 411 H PHE 52 H PHE 52 1.754 -6.886 3.574 412 HA PHE 52 HA PHE 52 2.257 -9.214 5.289 413 1HB PHE 52 1HB PHE 52 0.623 -8.582 2.814 414 2HB PHE 52 2HB PHE 52 1.313 -10.191 2.895 415 HD1 PHE 52 1HD PHE 52 0.324 -8.489 5.972 416 HD2 PHE 52 2HD PHE 52 -0.901 -11.202 2.948 417 HE1 PHE 52 1HE PHE 52 -1.587 -9.236 7.418 418 HE2 PHE 52 2HE PHE 52 -2.813 -11.949 4.394 419 HZ PHE 52 HZ PHE 52 -3.132 -10.957 6.611 420 H ARG 53 H ARG 53 3.088 -7.528 2.219 421 HA ARG 53 HA ARG 53 5.189 -9.472 1.819 422 1HB ARG 53 1HB ARG 53 3.623 -8.738 -0.078 423 2HB ARG 53 2HB ARG 53 4.371 -7.154 -0.001 424 1HG ARG 53 1HG ARG 53 6.333 -9.377 -0.151 425 2HG ARG 53 2HG ARG 53 5.274 -9.289 -1.545 426 1HD ARG 53 1HD ARG 53 6.221 -6.617 -0.749 427 2HD ARG 53 2HD ARG 53 7.560 -7.700 -1.072 428 HE ARG 53 HE ARG 53 5.542 -6.770 -3.016 429 1HH1 ARG 53 1HH1 ARG 53 7.205 -8.331 -5.658 430 2HH1 ARG 53 2HH1 ARG 53 5.953 -7.218 -5.220 431 1HH2 ARG 53 1HH2 ARG 53 8.466 -9.367 -4.008 432 2HH2 ARG 53 2HH2 ARG 53 8.154 -9.027 -2.338 433 H GLU 54 H GLU 54 4.761 -6.721 3.590 434 HA GLU 54 HA GLU 54 6.470 -4.829 2.984 435 1HB GLU 54 1HB GLU 54 6.567 -4.291 5.264 436 2HB GLU 54 2HB GLU 54 5.137 -5.299 5.187 437 1HG GLU 54 1HG GLU 54 7.901 -6.419 5.833 438 2HG GLU 54 2HG GLU 54 6.805 -5.838 7.072 439 H ARG 55 H ARG 55 7.357 -8.155 3.914 440 HA ARG 55 HA ARG 55 10.038 -7.644 4.405 441 1HB ARG 55 1HB ARG 55 8.280 -9.967 4.094 442 2HB ARG 55 2HB ARG 55 9.828 -10.280 3.335 443 1HG ARG 55 1HG ARG 55 9.835 -9.015 6.074 444 2HG ARG 55 2HG ARG 55 9.426 -10.715 5.961 445 1HD ARG 55 1HD ARG 55 11.782 -10.045 4.317 446 2HD ARG 55 2HD ARG 55 12.024 -9.631 6.002 447 HE ARG 55 HE ARG 55 10.841 -12.255 5.799 448 1HH1 ARG 55 1HH1 ARG 55 13.851 -13.993 6.124 449 2HH1 ARG 55 2HH1 ARG 55 12.124 -14.107 6.190 450 1HH2 ARG 55 1HH2 ARG 55 14.862 -11.961 5.637 451 2HH2 ARG 55 2HH2 ARG 55 13.890 -10.559 5.341 452 H LEU 56 H LEU 56 10.923 -6.295 2.736 453 HA LEU 56 HA LEU 56 12.126 -5.999 0.892 454 1HB LEU 56 1HB LEU 56 12.284 -8.674 1.153 455 2HB LEU 56 2HB LEU 56 11.446 -8.585 -0.383 456 HG LEU 56 HG LEU 56 13.766 -6.788 -0.223 457 1HD1 LEU 56 1HD1 LEU 56 14.422 -9.724 -0.358 458 2HD1 LEU 56 2HD1 LEU 56 15.503 -8.332 -0.105 459 3HD1 LEU 56 3HD1 LEU 56 14.402 -8.850 1.194 460 1HD2 LEU 56 1HD2 LEU 56 13.564 -6.999 -2.420 461 2HD2 LEU 56 2HD2 LEU 56 13.915 -8.740 -2.310 462 3HD2 LEU 56 3HD2 LEU 56 12.237 -8.160 -2.180 463 H ILE 57 H ILE 57 9.739 -4.793 1.082 464 HA ILE 57 HA ILE 57 7.797 -5.398 -0.768 465 HB ILE 57 HB ILE 57 7.578 -3.774 1.037 466 1HG1 ILE 57 1HG1 ILE 57 6.993 -2.024 -1.255 467 2HG1 ILE 57 2HG1 ILE 57 6.435 -3.671 -1.468 468 1HG2 ILE 57 1HG2 ILE 57 9.932 -2.794 0.549 469 2HG2 ILE 57 2HG2 ILE 57 9.069 -1.733 -0.589 470 3HG2 ILE 57 3HG2 ILE 57 8.642 -1.720 1.139 471 1HD1 ILE 57 1HD1 ILE 57 5.584 -1.618 0.546 472 2HD1 ILE 57 2HD1 ILE 57 4.613 -2.838 -0.312 473 3HD1 ILE 57 3HD1 ILE 57 5.610 -3.315 1.083 474 H ALA 58 H ALA 58 10.729 -3.299 -1.155 475 HA ALA 58 HA ALA 58 11.819 -2.626 -2.958 476 1HB ALA 58 1HB ALA 58 11.602 -4.225 -5.014 477 2HB ALA 58 2HB ALA 58 12.324 -4.850 -3.511 478 3HB ALA 58 3HB ALA 58 10.634 -5.237 -3.915 479 H HIS 59 H HIS 59 11.510 -1.894 -5.379 480 HA HIS 59 HA HIS 59 9.454 -0.081 -5.425 481 1HB HIS 59 1HB HIS 59 11.327 -1.219 -7.461 482 2HB HIS 59 2HB HIS 59 9.980 -0.255 -8.033 483 HD1 HIS 59 1HD HIS 59 11.363 1.773 -8.767 484 HD2 HIS 59 2HD HIS 59 11.945 0.730 -4.747 485 HE1 HIS 59 1HE HIS 59 12.693 3.681 -7.719 486 H ARG 60 H ARG 60 7.362 -0.017 -6.284 487 HA ARG 60 HA ARG 60 6.426 -2.246 -7.772 488 1HB ARG 60 1HB ARG 60 6.000 -2.130 -4.876 489 2HB ARG 60 2HB ARG 60 4.462 -2.068 -5.714 490 1HG ARG 60 1HG ARG 60 6.380 -4.078 -6.795 491 2HG ARG 60 2HG ARG 60 5.848 -4.391 -5.155 492 1HD ARG 60 1HD ARG 60 3.748 -4.982 -5.837 493 2HD ARG 60 2HD ARG 60 3.600 -3.579 -6.877 494 HE ARG 60 HE ARG 60 4.575 -6.249 -7.656 495 1HH1 ARG 60 1HH1 ARG 60 4.907 -5.296 -10.997 496 2HH1 ARG 60 2HH1 ARG 60 4.899 -6.625 -9.886 497 1HH2 ARG 60 1HH2 ARG 60 4.588 -3.133 -10.219 498 2HH2 ARG 60 2HH2 ARG 60 4.343 -2.847 -8.528 499 H LEU 61 H LEU 61 5.317 0.477 -5.617 500 HA LEU 61 HA LEU 61 4.026 2.226 -5.996 501 1HB LEU 61 1HB LEU 61 5.069 1.656 -8.718 502 2HB LEU 61 2HB LEU 61 3.691 2.732 -8.603 503 HG LEU 61 HG LEU 61 5.724 3.474 -6.669 504 1HD1 LEU 61 1HD1 LEU 61 7.624 3.713 -7.864 505 2HD1 LEU 61 2HD1 LEU 61 6.958 2.339 -8.779 506 3HD1 LEU 61 3HD1 LEU 61 6.764 3.998 -9.395 507 1HD2 LEU 61 1HD2 LEU 61 4.328 5.205 -7.076 508 2HD2 LEU 61 2HD2 LEU 61 5.539 5.579 -8.327 509 3HD2 LEU 61 3HD2 LEU 61 4.040 4.727 -8.767 510 H ALA 62 H ALA 62 1.828 2.504 -5.868 511 HA ALA 62 HA ALA 62 -0.002 1.263 -7.570 512 1HB ALA 62 1HB ALA 62 0.804 -0.800 -6.426 513 2HB ALA 62 2HB ALA 62 0.310 -0.101 -4.866 514 3HB ALA 62 3HB ALA 62 -0.915 -0.469 -6.103 515 H SER 63 H SER 63 -1.002 3.281 -7.572 516 HA SER 63 HA SER 63 -2.277 3.933 -5.043 517 1HB SER 63 1HB SER 63 -1.937 6.399 -5.655 518 2HB SER 63 2HB SER 63 -0.515 5.537 -5.107 519 HG SER 63 HG SER 63 0.421 5.982 -6.970 520 H VAL 64 H VAL 64 -4.345 3.252 -5.668 521 HA VAL 64 HA VAL 64 -5.346 3.672 -8.276 522 HB VAL 64 HB VAL 64 -6.655 2.968 -5.645 523 1HG1 VAL 64 1HG1 VAL 64 -7.922 3.880 -7.992 524 2HG1 VAL 64 2HG1 VAL 64 -8.136 2.113 -7.978 525 3HG1 VAL 64 3HG1 VAL 64 -8.674 3.086 -6.588 526 1HG2 VAL 64 1HG2 VAL 64 -5.062 1.295 -6.386 527 2HG2 VAL 64 2HG2 VAL 64 -6.717 0.682 -6.619 528 3HG2 VAL 64 3HG2 VAL 64 -5.784 1.279 -8.013 529 H ASN 65 H ASN 65 -7.567 4.698 -5.796 530 HA ASN 65 HA ASN 65 -7.947 7.138 -7.130 531 1HB ASN 65 1HB ASN 65 -9.033 5.866 -4.593 532 2HB ASN 65 2HB ASN 65 -9.400 7.546 -4.931 533 1HD2 ASN 65 1HD2 ASN 65 -10.489 8.103 -6.874 534 2HD2 ASN 65 2HD2 ASN 65 -11.535 6.982 -7.678 535 H LEU 66 H LEU 66 -6.796 6.202 -3.797 536 HA LEU 66 HA LEU 66 -5.603 7.274 -2.277 537 1HB LEU 66 1HB LEU 66 -4.247 7.579 -4.802 538 2HB LEU 66 2HB LEU 66 -3.918 8.960 -3.773 539 HG LEU 66 HG LEU 66 -2.208 7.262 -3.502 540 1HD1 LEU 66 1HD1 LEU 66 -3.175 8.669 -1.534 541 2HD1 LEU 66 2HD1 LEU 66 -3.779 7.100 -0.948 542 3HD1 LEU 66 3HD1 LEU 66 -2.033 7.343 -1.200 543 1HD2 LEU 66 1HD2 LEU 66 -2.572 5.067 -3.383 544 2HD2 LEU 66 2HD2 LEU 66 -3.804 5.253 -2.113 545 3HD2 LEU 66 3HD2 LEU 66 -4.258 5.430 -3.825 546 H SER 67 H SER 67 -7.751 8.343 -1.775 547 HA SER 67 HA SER 67 -8.049 11.011 -2.691 548 1HB SER 67 1HB SER 67 -9.474 9.550 -0.421 549 2HB SER 67 2HB SER 67 -9.993 11.059 -1.149 550 HG SER 67 HG SER 67 -10.404 8.470 -2.014 551 H ARG 68 H ARG 68 -6.987 12.771 -1.861 552 HA ARG 68 HA ARG 68 -6.665 13.020 0.927 553 1HB ARG 68 1HB ARG 68 -4.212 13.104 1.014 554 2HB ARG 68 2HB ARG 68 -4.698 11.548 0.370 555 1HG ARG 68 1HG ARG 68 -3.446 11.941 -1.476 556 2HG ARG 68 2HG ARG 68 -4.497 13.283 -1.884 557 1HD ARG 68 1HD ARG 68 -2.368 14.309 -1.745 558 2HD ARG 68 2HD ARG 68 -3.073 14.673 -0.183 559 HE ARG 68 HE ARG 68 -1.434 13.347 0.821 560 1HH1 ARG 68 1HH1 ARG 68 0.797 11.029 -0.528 561 2HH1 ARG 68 2HH1 ARG 68 0.333 11.900 0.894 562 1HH2 ARG 68 1HH2 ARG 68 -0.374 11.331 -2.509 563 2HH2 ARG 68 2HH2 ARG 68 -1.712 12.429 -2.564 564 H LEU 69 H LEU 69 -5.858 15.226 1.500 565 HA LEU 69 HA LEU 69 -5.357 17.033 -0.686 566 1HB LEU 69 1HB LEU 69 -7.946 16.659 -0.237 567 2HB LEU 69 2HB LEU 69 -7.648 17.801 1.059 568 HG LEU 69 HG LEU 69 -6.434 19.028 -1.102 569 1HD1 LEU 69 1HD1 LEU 69 -9.080 18.181 -2.213 570 2HD1 LEU 69 2HD1 LEU 69 -7.624 18.778 -3.045 571 3HD1 LEU 69 3HD1 LEU 69 -7.671 17.113 -2.419 572 1HD2 LEU 69 1HD2 LEU 69 -8.251 19.687 0.780 573 2HD2 LEU 69 2HD2 LEU 69 -7.846 20.718 -0.614 574 3HD2 LEU 69 3HD2 LEU 69 -9.291 19.679 -0.665 575 HA PRO 70 HA PRO 70 -3.011 18.177 2.874 576 1HB PRO 70 1HB PRO 70 -0.908 19.268 1.513 577 2HB PRO 70 2HB PRO 70 -0.992 17.572 1.948 578 1HG PRO 70 1HG PRO 70 -1.399 18.829 -0.697 579 2HG PRO 70 2HG PRO 70 -1.059 17.151 -0.319 580 1HD PRO 70 1HD PRO 70 -3.598 18.265 -1.058 581 2HD PRO 70 2HD PRO 70 -3.280 16.612 -0.568 582 H TYR 71 H TYR 71 -1.880 20.298 3.605 583 HA TYR 71 HA TYR 71 -3.100 22.592 2.339 584 1HB TYR 71 1HB TYR 71 -4.166 23.224 4.558 585 2HB TYR 71 2HB TYR 71 -4.846 21.738 3.924 586 HD1 TYR 71 1HD TYR 71 -3.766 19.507 4.788 587 HD2 TYR 71 2HD TYR 71 -3.355 23.285 6.751 588 HE1 TYR 71 1HE TYR 71 -3.190 18.322 6.963 589 HE2 TYR 71 2HE TYR 71 -2.780 22.087 8.919 590 HH TYR 71 HH TYR 71 -1.689 19.658 9.398 591 H GLU 72 H GLU 72 -1.740 24.325 2.464 592 HA GLU 72 HA GLU 72 -0.287 25.013 4.670 593 1HB GLU 72 1HB GLU 72 0.894 22.759 3.507 594 2HB GLU 72 2HB GLU 72 1.844 24.080 2.859 595 1HG GLU 72 1HG GLU 72 2.991 23.817 4.845 596 2HG GLU 72 2HG GLU 72 1.754 24.912 5.429 597 HA PRO 73 HA PRO 73 -0.241 28.297 1.763 598 1HB PRO 73 1HB PRO 73 0.299 30.315 3.525 599 2HB PRO 73 2HB PRO 73 -1.321 29.723 3.213 600 1HG PRO 73 1HG PRO 73 0.405 29.247 5.566 601 2HG PRO 73 2HG PRO 73 -1.328 29.035 5.414 602 1HD PRO 73 1HD PRO 73 0.662 26.968 5.400 603 2HD PRO 73 2HD PRO 73 -1.058 26.769 5.134 604 H LYS 74 H LYS 74 1.230 29.030 0.342 605 HA LYS 74 HA LYS 74 3.764 28.196 0.380 606 1HB LYS 74 1HB LYS 74 2.318 30.423 -0.894 607 2HB LYS 74 2HB LYS 74 4.049 30.669 -0.793 608 1HG LYS 74 1HG LYS 74 4.538 28.741 -2.078 609 2HG LYS 74 2HG LYS 74 2.998 27.985 -1.722 610 1HD LYS 74 1HD LYS 74 1.805 29.511 -3.188 611 2HD LYS 74 2HD LYS 74 3.206 30.549 -3.357 612 1HE LYS 74 2HE LYS 74 3.159 29.259 -5.369 613 2HE LYS 74 3HE LYS 74 4.426 28.531 -4.403 614 1HZ LYS 74 1HZ LYS 74 1.655 27.560 -4.533 615 2HZ LYS 74 2HZ LYS 74 2.921 26.899 -5.324 616 3HZ LYS 74 3HZ LYS 74 2.870 26.864 -3.692 617 H LEU 75 H LEU 75 5.821 28.924 1.096 618 HA LEU 75 HA LEU 75 7.262 29.843 2.494 619 1HB LEU 75 1HB LEU 75 5.519 31.982 1.772 620 2HB LEU 75 2HB LEU 75 5.924 32.161 3.469 621 HG LEU 75 HG LEU 75 7.956 31.851 1.241 622 1HD1 LEU 75 1HD1 LEU 75 6.375 34.053 1.674 623 2HD1 LEU 75 2HD1 LEU 75 7.823 34.427 2.638 624 3HD1 LEU 75 3HD1 LEU 75 7.979 34.060 0.903 625 1HD2 LEU 75 1HD2 LEU 75 8.294 32.536 4.174 626 2HD2 LEU 75 2HD2 LEU 75 8.806 31.039 3.360 627 3HD2 LEU 75 3HD2 LEU 75 9.581 32.586 2.945 628 H LYS 76 H LYS 76 7.595 28.666 4.297 629 HA LYS 76 HA LYS 76 5.450 28.027 6.039 630 1HB LYS 76 1HB LYS 76 7.106 26.780 7.274 631 2HB LYS 76 2HB LYS 76 7.334 26.507 5.558 632 1HG LYS 76 1HG LYS 76 9.115 28.338 5.583 633 2HG LYS 76 2HG LYS 76 8.958 28.392 7.328 634 1HD LYS 76 1HD LYS 76 9.254 25.631 6.653 635 2HD LYS 76 2HD LYS 76 10.433 26.492 5.683 636 1HE LYS 76 2HE LYS 76 11.623 27.258 7.541 637 2HE LYS 76 3HE LYS 76 10.207 27.299 8.572 638 1HZ LYS 76 1HZ LYS 76 11.663 24.903 7.703 639 2HZ LYS 76 2HZ LYS 76 11.569 25.501 9.219 640 3HZ LYS 76 3HZ LYS 76 10.247 24.853 8.515 Start of MODEL 7 1 H MET 1 H MET 1 19.828 -24.292 12.507 2 HA MET 1 HA MET 1 17.462 -24.798 11.194 3 1HB MET 1 1HB MET 1 16.134 -25.125 13.516 4 2HB MET 1 2HB MET 1 16.750 -26.512 12.638 5 1HG MET 1 1HG MET 1 18.542 -25.138 14.660 6 2HG MET 1 2HG MET 1 17.285 -26.218 15.231 7 1HE MET 1 1HE MET 1 20.152 -26.375 15.755 8 2HE MET 1 2HE MET 1 19.604 -28.016 16.173 9 3HE MET 1 3HE MET 1 21.003 -27.792 15.095 10 H LEU 2 H LEU 2 19.123 -23.381 14.038 11 HA LEU 2 HA LEU 2 17.289 -21.255 14.372 12 1HB LEU 2 1HB LEU 2 18.935 -20.348 15.871 13 2HB LEU 2 2HB LEU 2 18.719 -22.063 16.156 14 HG LEU 2 HG LEU 2 20.823 -22.295 14.581 15 1HD1 LEU 2 1HD1 LEU 2 20.680 -19.406 15.094 16 2HD1 LEU 2 2HD1 LEU 2 22.259 -20.138 15.470 17 3HD1 LEU 2 3HD1 LEU 2 21.560 -20.316 13.842 18 1HD2 LEU 2 1HD2 LEU 2 20.539 -21.811 17.483 19 2HD2 LEU 2 2HD2 LEU 2 21.277 -23.171 16.604 20 3HD2 LEU 2 3HD2 LEU 2 22.189 -21.659 16.832 21 H LYS 3 H LYS 3 17.352 -19.113 13.628 22 HA LYS 3 HA LYS 3 19.489 -18.065 12.158 23 1HB LYS 3 1HB LYS 3 18.578 -18.095 9.897 24 2HB LYS 3 2HB LYS 3 18.883 -19.721 10.472 25 1HG LYS 3 1HG LYS 3 16.725 -20.253 10.036 26 2HG LYS 3 2HG LYS 3 16.216 -19.122 11.275 27 1HD LYS 3 1HD LYS 3 15.752 -17.421 9.745 28 2HD LYS 3 2HD LYS 3 16.966 -17.962 8.603 29 1HE LYS 3 2HE LYS 3 15.561 -19.573 7.643 30 2HE LYS 3 3HE LYS 3 14.635 -19.802 9.112 31 1HZ LYS 3 1HZ LYS 3 13.621 -18.493 7.192 32 2HZ LYS 3 2HZ LYS 3 13.415 -17.922 8.709 33 3HZ LYS 3 3HZ LYS 3 14.525 -17.241 7.724 34 H ASN 4 H ASN 4 19.255 -16.102 13.120 35 HA ASN 4 HA ASN 4 17.289 -14.397 12.278 36 1HB ASN 4 1HB ASN 4 16.012 -14.084 14.464 37 2HB ASN 4 2HB ASN 4 15.660 -15.592 13.645 38 1HD2 ASN 4 1HD2 ASN 4 15.409 -14.876 16.451 39 2HD2 ASN 4 2HD2 ASN 4 16.360 -15.999 17.365 40 H LEU 5 H LEU 5 17.743 -12.222 13.121 41 HA LEU 5 HA LEU 5 20.316 -12.065 14.428 42 1HB LEU 5 1HB LEU 5 18.838 -10.529 12.547 43 2HB LEU 5 2HB LEU 5 19.124 -9.515 13.948 44 HG LEU 5 HG LEU 5 21.328 -11.034 12.536 45 1HD1 LEU 5 1HD1 LEU 5 21.833 -9.158 11.219 46 2HD1 LEU 5 2HD1 LEU 5 20.071 -9.360 11.074 47 3HD1 LEU 5 3HD1 LEU 5 20.737 -8.101 12.141 48 1HD2 LEU 5 1HD2 LEU 5 22.836 -9.893 13.842 49 2HD2 LEU 5 2HD2 LEU 5 21.713 -8.551 14.168 50 3HD2 LEU 5 3HD2 LEU 5 21.491 -10.115 14.988 51 H ALA 6 H ALA 6 17.227 -10.218 14.923 52 HA ALA 6 HA ALA 6 17.268 -10.936 17.722 53 1HB ALA 6 1HB ALA 6 17.156 -8.425 18.305 54 2HB ALA 6 2HB ALA 6 18.753 -9.094 17.892 55 3HB ALA 6 3HB ALA 6 17.848 -8.145 16.689 56 H LYS 7 H LYS 7 15.834 -8.007 16.232 57 HA LYS 7 HA LYS 7 13.233 -8.908 16.983 58 1HB LYS 7 1HB LYS 7 12.564 -6.722 15.862 59 2HB LYS 7 2HB LYS 7 13.613 -6.611 17.260 60 1HG LYS 7 1HG LYS 7 15.150 -6.907 14.764 61 2HG LYS 7 2HG LYS 7 14.099 -5.505 14.716 62 1HD LYS 7 1HD LYS 7 15.031 -4.917 17.067 63 2HD LYS 7 2HD LYS 7 16.254 -6.138 16.774 64 1HE LYS 7 2HE LYS 7 17.322 -4.196 15.989 65 2HE LYS 7 3HE LYS 7 16.667 -4.862 14.507 66 1HZ LYS 7 1HZ LYS 7 14.918 -3.347 14.555 67 2HZ LYS 7 2HZ LYS 7 15.173 -2.919 16.110 68 3HZ LYS 7 3HZ LYS 7 16.228 -2.456 14.952 69 H LEU 8 H LEU 8 15.202 -8.768 14.009 70 HA LEU 8 HA LEU 8 14.702 -9.289 11.891 71 1HB LEU 8 1HB LEU 8 14.727 -11.479 13.561 72 2HB LEU 8 2HB LEU 8 13.256 -11.723 12.639 73 HG LEU 8 HG LEU 8 15.307 -12.828 11.710 74 1HD1 LEU 8 1HD1 LEU 8 13.342 -11.198 10.293 75 2HD1 LEU 8 2HD1 LEU 8 14.831 -11.458 9.352 76 3HD1 LEU 8 3HD1 LEU 8 13.915 -12.853 9.970 77 1HD2 LEU 8 1HD2 LEU 8 16.259 -10.325 10.468 78 2HD2 LEU 8 2HD2 LEU 8 16.584 -10.483 12.210 79 3HD2 LEU 8 3HD2 LEU 8 17.164 -11.730 11.081 80 H ASP 9 H ASP 9 13.062 -7.318 12.262 81 HA ASP 9 HA ASP 9 10.875 -7.932 10.694 82 1HB ASP 9 1HB ASP 9 10.413 -7.876 13.675 83 2HB ASP 9 2HB ASP 9 9.198 -7.135 12.651 84 H GLN 10 H GLN 10 12.979 -6.023 10.713 85 HA GLN 10 HA GLN 10 12.068 -3.614 11.905 86 1HB GLN 10 1HB GLN 10 14.078 -2.646 11.066 87 2HB GLN 10 2HB GLN 10 14.504 -4.295 11.478 88 1HG GLN 10 1HG GLN 10 13.754 -4.707 8.901 89 2HG GLN 10 2HG GLN 10 14.224 -3.023 8.768 90 1HE2 GLN 10 1HE2 GLN 10 16.316 -2.429 8.858 91 2HE2 GLN 10 2HE2 GLN 10 17.658 -3.519 8.972 92 H THR 11 H THR 11 11.612 -5.299 8.856 93 HA THR 11 HA THR 11 10.984 -3.047 7.262 94 HB THR 11 HB THR 11 10.463 -6.051 7.128 95 HG1 THR 11 1HG THR 11 12.064 -5.627 5.372 96 1HG2 THR 11 1HG2 THR 11 8.678 -4.629 5.857 97 2HG2 THR 11 2HG2 THR 11 10.034 -4.069 4.849 98 3HG2 THR 11 3HG2 THR 11 9.613 -5.798 4.893 99 H GLU 12 H GLU 12 8.888 -5.428 9.022 100 HA GLU 12 HA GLU 12 6.524 -4.218 8.321 101 1HB GLU 12 1HB GLU 12 6.977 -6.495 9.484 102 2HB GLU 12 2HB GLU 12 6.992 -5.598 10.989 103 1HG GLU 12 1HG GLU 12 4.690 -4.615 10.156 104 2HG GLU 12 2HG GLU 12 4.692 -5.967 9.041 105 H MET 13 H MET 13 9.024 -3.206 10.547 106 HA MET 13 HA MET 13 7.436 -1.718 12.287 107 1HB MET 13 1HB MET 13 9.912 -2.445 12.516 108 2HB MET 13 2HB MET 13 10.320 -1.141 11.419 109 1HG MET 13 1HG MET 13 10.524 0.090 13.351 110 2HG MET 13 2HG MET 13 8.784 0.243 13.218 111 1HE MET 13 1HE MET 13 9.715 -0.321 16.998 112 2HE MET 13 2HE MET 13 11.216 -0.356 16.043 113 3HE MET 13 3HE MET 13 9.942 0.825 15.655 114 H ASP 14 H ASP 14 8.824 -1.056 9.067 115 HA ASP 14 HA ASP 14 8.422 1.723 9.219 116 1HB ASP 14 1HB ASP 14 9.990 0.432 7.643 117 2HB ASP 14 2HB ASP 14 8.573 -0.017 6.717 118 H LYS 15 H LYS 15 6.500 -1.139 8.364 119 HA LYS 15 HA LYS 15 4.472 0.393 7.006 120 1HB LYS 15 1HB LYS 15 5.111 -2.463 7.449 121 2HB LYS 15 2HB LYS 15 3.402 -2.087 7.380 122 1HG LYS 15 1HG LYS 15 4.428 -2.615 5.127 123 2HG LYS 15 2HG LYS 15 3.620 -1.061 5.191 124 1HD LYS 15 1HD LYS 15 5.636 -0.468 4.162 125 2HD LYS 15 2HD LYS 15 6.008 -0.126 5.839 126 1HE LYS 15 2HE LYS 15 7.285 -2.135 6.095 127 2HE LYS 15 3HE LYS 15 6.590 -2.867 4.664 128 1HZ LYS 15 1HZ LYS 15 8.903 -1.802 4.557 129 2HZ LYS 15 2HZ LYS 15 7.876 -1.583 3.305 130 3HZ LYS 15 3HZ LYS 15 8.097 -0.390 4.398 131 H VAL 16 H VAL 16 4.788 -1.496 10.088 132 HA VAL 16 HA VAL 16 2.303 -1.077 11.101 133 HB VAL 16 HB VAL 16 4.887 -1.862 12.023 134 1HG1 VAL 16 1HG1 VAL 16 3.392 -0.009 13.905 135 2HG1 VAL 16 2HG1 VAL 16 4.671 -1.139 14.412 136 3HG1 VAL 16 3HG1 VAL 16 5.049 0.184 13.284 137 1HG2 VAL 16 1HG2 VAL 16 3.598 -3.212 13.590 138 2HG2 VAL 16 2HG2 VAL 16 2.146 -2.228 13.280 139 3HG2 VAL 16 3HG2 VAL 16 2.830 -3.237 11.984 140 H ASN 17 H ASN 17 4.832 1.275 10.488 141 HA ASN 17 HA ASN 17 3.935 3.173 12.348 142 1HB ASN 17 1HB ASN 17 6.170 3.468 11.542 143 2HB ASN 17 2HB ASN 17 5.697 3.241 9.870 144 1HD2 ASN 17 1HD2 ASN 17 4.291 4.865 8.892 145 2HD2 ASN 17 2HD2 ASN 17 4.464 6.529 9.338 146 H VAL 18 H VAL 18 3.793 3.048 8.698 147 HA VAL 18 HA VAL 18 1.952 5.138 8.458 148 HB VAL 18 HB VAL 18 2.622 2.833 6.619 149 1HG1 VAL 18 1HG1 VAL 18 1.724 4.227 4.809 150 2HG1 VAL 18 2HG1 VAL 18 0.470 3.852 6.016 151 3HG1 VAL 18 3HG1 VAL 18 1.232 5.461 5.993 152 1HG2 VAL 18 1HG2 VAL 18 3.757 5.625 6.928 153 2HG2 VAL 18 2HG2 VAL 18 4.609 4.066 7.055 154 3HG2 VAL 18 3HG2 VAL 18 4.010 4.628 5.475 155 H ASP 19 H ASP 19 1.598 1.931 9.651 156 HA ASP 19 HA ASP 19 -0.883 1.254 8.709 157 1HB ASP 19 1HB ASP 19 0.956 0.324 10.659 158 2HB ASP 19 2HB ASP 19 -0.536 0.574 11.543 159 H LEU 20 H LEU 20 0.123 3.860 10.754 160 HA LEU 20 HA LEU 20 -2.482 4.074 12.048 161 1HB LEU 20 1HB LEU 20 0.179 4.646 12.812 162 2HB LEU 20 2HB LEU 20 -0.649 6.187 12.698 163 HG LEU 20 HG LEU 20 -2.420 4.475 14.079 164 1HD1 LEU 20 1HD1 LEU 20 -0.023 3.251 14.327 165 2HD1 LEU 20 2HD1 LEU 20 0.054 4.381 15.701 166 3HD1 LEU 20 3HD1 LEU 20 -1.292 3.222 15.575 167 1HD2 LEU 20 1HD2 LEU 20 -2.574 6.609 14.804 168 2HD2 LEU 20 2HD2 LEU 20 -1.425 6.037 16.037 169 3HD2 LEU 20 3HD2 LEU 20 -0.833 6.922 14.611 170 H ALA 21 H ALA 21 -0.741 5.126 9.262 171 HA ALA 21 HA ALA 21 -1.783 7.721 9.010 172 1HB ALA 21 1HB ALA 21 -1.149 7.382 6.597 173 2HB ALA 21 2HB ALA 21 0.152 6.992 7.747 174 3HB ALA 21 3HB ALA 21 -0.783 5.683 6.983 175 H ALA 22 H ALA 22 -2.602 5.519 6.382 176 HA ALA 22 HA ALA 22 -5.429 6.107 6.907 177 1HB ALA 22 1HB ALA 22 -4.366 5.143 4.261 178 2HB ALA 22 2HB ALA 22 -5.740 6.220 4.608 179 3HB ALA 22 3HB ALA 22 -4.073 6.831 4.749 180 H ALA 23 H ALA 23 -6.831 4.253 5.666 181 HA ALA 23 HA ALA 23 -5.928 1.772 6.929 182 1HB ALA 23 1HB ALA 23 -8.605 2.961 6.188 183 2HB ALA 23 2HB ALA 23 -8.436 1.206 6.438 184 3HB ALA 23 3HB ALA 23 -8.047 2.335 7.758 185 H GLY 24 H GLY 24 -8.320 1.978 4.301 186 1HA GLY 24 1HA GLY 24 -6.716 1.501 2.094 187 2HA GLY 24 2HA GLY 24 -7.020 -0.065 2.819 188 H VAL 25 H VAL 25 -8.987 2.964 2.335 189 HA VAL 25 HA VAL 25 -11.070 1.232 1.194 190 HB VAL 25 HB VAL 25 -11.657 3.925 2.338 191 1HG1 VAL 25 1HG1 VAL 25 -13.179 1.912 1.216 192 2HG1 VAL 25 2HG1 VAL 25 -13.400 1.645 2.962 193 3HG1 VAL 25 3HG1 VAL 25 -13.790 3.228 2.247 194 1HG2 VAL 25 1HG2 VAL 25 -10.240 2.907 4.055 195 2HG2 VAL 25 2HG2 VAL 25 -11.936 2.973 4.591 196 3HG2 VAL 25 3HG2 VAL 25 -11.241 1.435 4.026 197 H ALA 26 H ALA 26 -9.192 4.276 0.962 198 HA ALA 26 HA ALA 26 -10.544 5.280 -1.290 199 1HB ALA 26 1HB ALA 26 -7.716 5.729 -0.251 200 2HB ALA 26 2HB ALA 26 -8.534 6.733 -1.472 201 3HB ALA 26 3HB ALA 26 -9.165 6.664 0.191 202 H PHE 27 H PHE 27 -8.573 2.516 -0.861 203 HA PHE 27 HA PHE 27 -8.172 2.400 -3.760 204 1HB PHE 27 1HB PHE 27 -6.271 1.238 -1.660 205 2HB PHE 27 2HB PHE 27 -5.928 1.524 -3.355 206 HD1 PHE 27 1HD PHE 27 -6.617 3.287 -0.158 207 HD2 PHE 27 2HD PHE 27 -4.919 3.521 -4.041 208 HE1 PHE 27 1HE PHE 27 -5.599 5.507 0.421 209 HE2 PHE 27 2HE PHE 27 -3.903 5.742 -3.462 210 HZ PHE 27 HZ PHE 27 -4.255 6.709 -1.238 211 H LYS 28 H LYS 28 -8.178 0.226 -4.658 212 HA LYS 28 HA LYS 28 -8.548 -1.994 -4.636 213 1HB LYS 28 1HB LYS 28 -7.770 -1.864 -2.141 214 2HB LYS 28 2HB LYS 28 -9.479 -1.987 -1.776 215 1HG LYS 28 1HG LYS 28 -8.735 -4.245 -1.808 216 2HG LYS 28 2HG LYS 28 -9.525 -4.037 -3.358 217 1HD LYS 28 1HD LYS 28 -7.383 -5.187 -3.692 218 2HD LYS 28 2HD LYS 28 -7.308 -3.601 -4.434 219 1HE LYS 28 2HE LYS 28 -6.470 -3.341 -1.675 220 2HE LYS 28 3HE LYS 28 -5.601 -4.689 -2.382 221 1HZ LYS 28 1HZ LYS 28 -4.687 -2.352 -2.677 222 2HZ LYS 28 2HZ LYS 28 -4.688 -3.337 -3.980 223 3HZ LYS 28 3HZ LYS 28 -5.821 -2.169 -3.838 224 H GLU 29 H GLU 29 -10.633 0.580 -3.670 225 HA GLU 29 HA GLU 29 -13.050 -0.409 -3.352 226 1HB GLU 29 1HB GLU 29 -13.709 1.546 -5.109 227 2HB GLU 29 2HB GLU 29 -13.158 1.877 -3.480 228 1HG GLU 29 1HG GLU 29 -11.891 3.259 -5.070 229 2HG GLU 29 2HG GLU 29 -10.813 2.103 -4.312 230 H ARG 30 H ARG 30 -11.080 -0.727 -6.272 231 HA ARG 30 HA ARG 30 -12.929 -1.186 -8.165 232 1HB ARG 30 1HB ARG 30 -10.157 -1.593 -7.863 233 2HB ARG 30 2HB ARG 30 -10.758 -3.189 -8.263 234 1HG ARG 30 1HG ARG 30 -10.959 -2.582 -10.436 235 2HG ARG 30 2HG ARG 30 -12.108 -1.335 -9.993 236 1HD ARG 30 1HD ARG 30 -10.297 0.283 -9.609 237 2HD ARG 30 2HD ARG 30 -9.080 -0.957 -9.834 238 HE ARG 30 HE ARG 30 -10.636 0.379 -11.945 239 1HH1 ARG 30 1HH1 ARG 30 -8.959 -1.349 -14.471 240 2HH1 ARG 30 2HH1 ARG 30 -10.032 -0.037 -14.109 241 1HH2 ARG 30 1HH2 ARG 30 -8.137 -2.682 -12.759 242 2HH2 ARG 30 2HH2 ARG 30 -8.595 -2.366 -11.119 243 H TYR 31 H TYR 31 -12.225 -3.095 -5.309 244 HA TYR 31 HA TYR 31 -13.353 -5.531 -6.344 245 1HB TYR 31 1HB TYR 31 -12.377 -6.318 -4.362 246 2HB TYR 31 2HB TYR 31 -11.595 -4.750 -4.331 247 HD1 TYR 31 1HD TYR 31 -12.121 -3.134 -2.651 248 HD2 TYR 31 2HD TYR 31 -14.485 -6.680 -3.021 249 HE1 TYR 31 1HE TYR 31 -13.243 -2.626 -0.427 250 HE2 TYR 31 2HE TYR 31 -15.599 -6.161 -0.796 251 HH TYR 31 HH TYR 31 -16.032 -3.910 0.516 252 H ASN 32 H ASN 32 -14.810 -2.679 -5.850 253 HA ASN 32 HA ASN 32 -16.916 -2.154 -5.621 254 1HB ASN 32 1HB ASN 32 -17.463 -4.516 -6.429 255 2HB ASN 32 2HB ASN 32 -17.493 -5.035 -4.756 256 1HD2 ASN 32 1HD2 ASN 32 -18.752 -2.363 -6.753 257 2HD2 ASN 32 2HD2 ASN 32 -20.367 -2.362 -6.125 258 H MET 33 H MET 33 -15.491 -1.227 -3.653 259 HA MET 33 HA MET 33 -16.241 -2.408 -1.139 260 1HB MET 33 1HB MET 33 -14.537 -0.990 -0.218 261 2HB MET 33 2HB MET 33 -13.913 -1.403 -1.802 262 1HG MET 33 1HG MET 33 -13.624 0.905 -1.879 263 2HG MET 33 2HG MET 33 -15.241 0.806 -2.547 264 1HE MET 33 1HE MET 33 -16.449 3.637 -0.674 265 2HE MET 33 2HE MET 33 -14.733 3.771 -1.124 266 3HE MET 33 3HE MET 33 -15.868 2.913 -2.194 267 HA PRO 34 HA PRO 34 -19.583 0.396 -0.767 268 1HB PRO 34 1HB PRO 34 -20.546 -0.501 1.628 269 2HB PRO 34 2HB PRO 34 -20.966 -1.232 0.091 270 1HG PRO 34 1HG PRO 34 -19.124 -2.230 2.177 271 2HG PRO 34 2HG PRO 34 -19.876 -3.113 0.863 272 1HD PRO 34 1HD PRO 34 -17.154 -2.216 0.992 273 2HD PRO 34 2HD PRO 34 -17.938 -2.995 -0.368 274 H VAL 35 H VAL 35 -20.566 1.919 0.988 275 HA VAL 35 HA VAL 35 -18.405 3.600 1.699 276 HB VAL 35 HB VAL 35 -21.275 3.702 2.639 277 1HG1 VAL 35 1HG1 VAL 35 -19.877 5.250 3.839 278 2HG1 VAL 35 2HG1 VAL 35 -19.118 5.814 2.331 279 3HG1 VAL 35 3HG1 VAL 35 -20.831 6.171 2.653 280 1HG2 VAL 35 1HG2 VAL 35 -20.112 4.114 -0.043 281 2HG2 VAL 35 2HG2 VAL 35 -21.792 3.789 0.446 282 3HG2 VAL 35 3HG2 VAL 35 -21.145 5.444 0.533 283 H ILE 36 H ILE 36 -17.524 1.348 2.797 284 HA ILE 36 HA ILE 36 -17.777 1.906 5.631 285 HB ILE 36 HB ILE 36 -18.956 -0.408 4.319 286 1HG1 ILE 36 1HG1 ILE 36 -19.109 0.394 7.228 287 2HG1 ILE 36 2HG1 ILE 36 -19.958 1.284 5.979 288 1HG2 ILE 36 1HG2 ILE 36 -16.976 -1.600 4.901 289 2HG2 ILE 36 2HG2 ILE 36 -16.938 -0.873 6.526 290 3HG2 ILE 36 3HG2 ILE 36 -18.226 -2.024 6.096 291 1HD1 ILE 36 1HD1 ILE 36 -20.573 -1.375 5.365 292 2HD1 ILE 36 2HD1 ILE 36 -20.575 -1.349 7.145 293 3HD1 ILE 36 3HD1 ILE 36 -21.627 -0.237 6.237 294 H ALA 37 H ALA 37 -15.983 0.903 6.882 295 HA ALA 37 HA ALA 37 -13.660 0.535 5.122 296 1HB ALA 37 1HB ALA 37 -13.647 1.406 8.030 297 2HB ALA 37 2HB ALA 37 -12.341 1.551 6.830 298 3HB ALA 37 3HB ALA 37 -13.798 2.561 6.684 299 H GLU 38 H GLU 38 -15.560 -0.700 7.884 300 HA GLU 38 HA GLU 38 -13.729 -2.649 8.650 301 1HB GLU 38 1HB GLU 38 -15.808 -1.759 9.903 302 2HB GLU 38 2HB GLU 38 -16.752 -2.865 8.923 303 1HG GLU 38 1HG GLU 38 -16.145 -4.639 10.207 304 2HG GLU 38 2HG GLU 38 -14.443 -4.265 10.024 305 H ALA 39 H ALA 39 -15.553 -2.312 5.782 306 HA ALA 39 HA ALA 39 -15.681 -5.202 5.353 307 1HB ALA 39 1HB ALA 39 -16.737 -3.048 3.506 308 2HB ALA 39 2HB ALA 39 -17.278 -4.735 3.683 309 3HB ALA 39 3HB ALA 39 -17.643 -3.545 4.955 310 H VAL 40 H VAL 40 -13.814 -2.340 4.671 311 HA VAL 40 HA VAL 40 -12.755 -3.229 2.184 312 HB VAL 40 HB VAL 40 -12.657 -0.927 3.883 313 1HG1 VAL 40 1HG1 VAL 40 -9.939 -1.832 2.872 314 2HG1 VAL 40 2HG1 VAL 40 -10.318 -0.259 3.614 315 3HG1 VAL 40 3HG1 VAL 40 -10.440 -1.750 4.578 316 1HG2 VAL 40 1HG2 VAL 40 -11.327 -0.739 1.269 317 2HG2 VAL 40 2HG2 VAL 40 -12.927 -1.516 1.202 318 3HG2 VAL 40 3HG2 VAL 40 -12.757 0.115 1.895 319 H GLU 41 H GLU 41 -11.853 -3.508 5.648 320 HA GLU 41 HA GLU 41 -9.364 -4.720 4.987 321 1HB GLU 41 1HB GLU 41 -10.599 -3.571 7.312 322 2HB GLU 41 2HB GLU 41 -10.140 -5.212 7.725 323 1HG GLU 41 1HG GLU 41 -7.823 -4.790 6.924 324 2HG GLU 41 2HG GLU 41 -8.270 -3.166 6.438 325 H ARG 42 H ARG 42 -12.648 -5.754 5.996 326 HA ARG 42 HA ARG 42 -11.984 -8.380 6.546 327 1HB ARG 42 1HB ARG 42 -14.296 -8.714 6.757 328 2HB ARG 42 2HB ARG 42 -14.212 -6.971 6.922 329 1HG ARG 42 1HG ARG 42 -15.900 -7.189 5.312 330 2HG ARG 42 2HG ARG 42 -14.494 -6.952 4.293 331 1HD ARG 42 1HD ARG 42 -14.557 -9.103 3.473 332 2HD ARG 42 2HD ARG 42 -14.978 -9.795 5.026 333 HE ARG 42 HE ARG 42 -17.202 -8.267 4.022 334 1HH1 ARG 42 1HH1 ARG 42 -18.893 -10.992 2.644 335 2HH1 ARG 42 2HH1 ARG 42 -19.025 -9.342 3.158 336 1HH2 ARG 42 1HH2 ARG 42 -16.868 -12.109 2.835 337 2HH2 ARG 42 2HH2 ARG 42 -15.487 -11.293 3.490 338 H GLU 43 H GLU 43 -12.561 -6.609 3.526 339 HA GLU 43 HA GLU 43 -12.843 -9.040 2.026 340 1HB GLU 43 1HB GLU 43 -12.789 -6.100 1.237 341 2HB GLU 43 2HB GLU 43 -12.909 -7.393 0.060 342 1HG GLU 43 1HG GLU 43 -14.830 -7.430 2.385 343 2HG GLU 43 2HG GLU 43 -15.096 -6.239 1.128 344 H GLN 44 H GLN 44 -10.764 -6.144 1.356 345 HA GLN 44 HA GLN 44 -8.402 -7.696 1.583 346 1HB GLN 44 1HB GLN 44 -9.704 -7.855 -0.894 347 2HB GLN 44 2HB GLN 44 -8.482 -6.628 -1.159 348 1HG GLN 44 1HG GLN 44 -7.760 -9.234 0.223 349 2HG GLN 44 2HG GLN 44 -7.852 -9.157 -1.526 350 1HE2 GLN 44 1HE2 GLN 44 -5.699 -9.487 -1.856 351 2HE2 GLN 44 2HE2 GLN 44 -4.467 -8.323 -1.494 352 HA PRO 45 HA PRO 45 -7.602 -3.404 2.342 353 1HB PRO 45 1HB PRO 45 -5.570 -3.778 4.130 354 2HB PRO 45 2HB PRO 45 -7.256 -3.699 4.599 355 1HG PRO 45 1HG PRO 45 -5.495 -6.065 4.404 356 2HG PRO 45 2HG PRO 45 -7.017 -5.897 5.257 357 1HD PRO 45 1HD PRO 45 -6.591 -7.228 2.752 358 2HD PRO 45 2HD PRO 45 -8.129 -6.958 3.547 359 H GLU 46 H GLU 46 -6.486 -1.989 1.140 360 HA GLU 46 HA GLU 46 -4.731 -3.008 -0.720 361 1HB GLU 46 1HB GLU 46 -4.105 -0.546 -1.047 362 2HB GLU 46 2HB GLU 46 -5.807 -0.933 -1.195 363 1HG GLU 46 1HG GLU 46 -6.194 0.683 0.355 364 2HG GLU 46 2HG GLU 46 -5.527 -0.419 1.543 365 H HIS 47 H HIS 47 -4.129 -1.330 2.430 366 HA HIS 47 HA HIS 47 -1.423 -1.073 2.271 367 1HB HIS 47 1HB HIS 47 -1.450 -0.729 4.567 368 2HB HIS 47 2HB HIS 47 -3.077 -0.304 4.073 369 HD1 HIS 47 1HD HIS 47 -5.031 -1.828 4.871 370 HD2 HIS 47 2HD HIS 47 -1.237 -3.088 6.144 371 HE1 HIS 47 1HE HIS 47 -5.430 -3.600 6.662 372 H LEU 48 H LEU 48 -3.389 -3.984 2.965 373 HA LEU 48 HA LEU 48 -1.318 -5.606 3.879 374 1HB LEU 48 1HB LEU 48 -4.080 -5.853 3.089 375 2HB LEU 48 2HB LEU 48 -3.155 -7.210 2.480 376 HG LEU 48 HG LEU 48 -4.083 -7.800 4.607 377 1HD1 LEU 48 1HD1 LEU 48 -1.167 -7.230 5.155 378 2HD1 LEU 48 2HD1 LEU 48 -2.165 -8.582 5.741 379 3HD1 LEU 48 3HD1 LEU 48 -1.713 -8.489 4.022 380 1HD2 LEU 48 1HD2 LEU 48 -3.985 -5.183 5.267 381 2HD2 LEU 48 2HD2 LEU 48 -4.216 -6.499 6.444 382 3HD2 LEU 48 3HD2 LEU 48 -2.600 -5.795 6.202 383 H ARG 49 H ARG 49 -2.060 -4.326 0.708 384 HA ARG 49 HA ARG 49 -0.923 -6.327 -0.817 385 1HB ARG 49 1HB ARG 49 -1.085 -4.795 -2.616 386 2HB ARG 49 2HB ARG 49 -2.307 -4.204 -1.508 387 1HG ARG 49 1HG ARG 49 -0.402 -2.689 -0.532 388 2HG ARG 49 2HG ARG 49 0.478 -3.086 -1.996 389 1HD ARG 49 1HD ARG 49 -0.754 -1.616 -3.220 390 2HD ARG 49 2HD ARG 49 -2.257 -2.338 -2.681 391 HE ARG 49 HE ARG 49 -1.551 -0.904 -0.470 392 1HH1 ARG 49 1HH1 ARG 49 -2.171 2.408 -1.378 393 2HH1 ARG 49 2HH1 ARG 49 -1.988 1.301 -0.059 394 1HH2 ARG 49 1HH2 ARG 49 -1.974 1.652 -3.563 395 2HH2 ARG 49 2HH2 ARG 49 -1.642 -0.019 -3.875 396 H SER 50 H SER 50 0.451 -3.489 0.904 397 HA SER 50 HA SER 50 3.075 -4.233 -0.093 398 1HB SER 50 1HB SER 50 2.127 -1.806 -0.168 399 2HB SER 50 2HB SER 50 2.420 -1.768 1.559 400 HG SER 50 HG SER 50 4.547 -1.623 1.239 401 H TRP 51 H TRP 51 0.994 -4.109 2.767 402 HA TRP 51 HA TRP 51 3.055 -4.327 4.696 403 1HB TRP 51 1HB TRP 51 0.098 -4.501 4.630 404 2HB TRP 51 2HB TRP 51 0.891 -5.366 5.932 405 HD1 TRP 51 HD TRP 51 0.934 -3.853 8.050 406 HE1 TRP 51 1HE TRP 51 1.284 -1.312 8.671 407 HE3 TRP 51 3HE TRP 51 1.499 -2.219 3.268 408 HZ2 TRP 51 2HZ TRP 51 1.749 1.043 7.128 409 HZ3 TRP 51 3HZ TRP 51 1.897 0.216 2.912 410 HH2 TRP 51 HH TRP 51 2.025 1.826 4.746 411 H PHE 52 H PHE 52 1.354 -6.527 2.499 412 HA PHE 52 HA PHE 52 2.472 -8.826 3.908 413 1HB PHE 52 1HB PHE 52 -0.006 -8.501 3.037 414 2HB PHE 52 2HB PHE 52 0.664 -8.714 1.432 415 HD1 PHE 52 1HD PHE 52 1.431 -10.882 0.681 416 HD2 PHE 52 2HD PHE 52 -0.075 -10.370 4.615 417 HE1 PHE 52 1HE PHE 52 1.242 -13.372 0.932 418 HE2 PHE 52 2HE PHE 52 -0.265 -12.861 4.866 419 HZ PHE 52 HZ PHE 52 0.396 -14.332 3.021 420 H ARG 53 H ARG 53 2.491 -7.081 0.761 421 HA ARG 53 HA ARG 53 4.365 -8.994 -0.270 422 1HB ARG 53 1HB ARG 53 2.407 -7.699 -1.541 423 2HB ARG 53 2HB ARG 53 3.602 -6.425 -1.690 424 1HG ARG 53 1HG ARG 53 4.973 -7.669 -3.107 425 2HG ARG 53 2HG ARG 53 4.498 -9.204 -2.406 426 1HD ARG 53 1HD ARG 53 3.128 -9.480 -4.203 427 2HD ARG 53 2HD ARG 53 2.101 -8.239 -3.512 428 HE ARG 53 HE ARG 53 2.961 -6.664 -5.053 429 1HH1 ARG 53 1HH1 ARG 53 5.199 -7.186 -7.678 430 2HH1 ARG 53 2HH1 ARG 53 4.054 -6.093 -6.976 431 1HH2 ARG 53 1HH2 ARG 53 5.625 -9.231 -6.665 432 2HH2 ARG 53 2HH2 ARG 53 4.797 -9.663 -5.206 433 H GLU 54 H GLU 54 4.598 -6.516 1.876 434 HA GLU 54 HA GLU 54 6.258 -4.635 1.133 435 1HB GLU 54 1HB GLU 54 6.710 -4.376 3.362 436 2HB GLU 54 2HB GLU 54 5.503 -5.635 3.542 437 1HG GLU 54 1HG GLU 54 8.504 -6.154 3.296 438 2HG GLU 54 2HG GLU 54 7.637 -6.088 4.818 439 H ARG 55 H ARG 55 7.059 -8.097 1.284 440 HA ARG 55 HA ARG 55 9.825 -7.751 1.133 441 1HB ARG 55 1HB ARG 55 8.620 -9.867 1.844 442 2HB ARG 55 2HB ARG 55 8.140 -10.122 0.178 443 1HG ARG 55 1HG ARG 55 10.915 -9.690 0.001 444 2HG ARG 55 2HG ARG 55 10.742 -10.626 1.472 445 1HD ARG 55 1HD ARG 55 9.435 -12.354 0.247 446 2HD ARG 55 2HD ARG 55 9.528 -11.406 -1.224 447 HE ARG 55 HE ARG 55 11.720 -12.159 -1.542 448 1HH1 ARG 55 1HH1 ARG 55 13.842 -13.958 0.565 449 2HH1 ARG 55 2HH1 ARG 55 13.611 -13.337 -1.036 450 1HH2 ARG 55 1HH2 ARG 55 12.230 -13.592 2.195 451 2HH2 ARG 55 2HH2 ARG 55 10.796 -12.699 1.810 452 H LEU 56 H LEU 56 9.423 -5.916 -0.631 453 HA LEU 56 HA LEU 56 10.030 -5.291 -2.678 454 1HB LEU 56 1HB LEU 56 10.970 -7.939 -2.596 455 2HB LEU 56 2HB LEU 56 10.105 -7.794 -4.113 456 HG LEU 56 HG LEU 56 12.434 -7.307 -4.466 457 1HD1 LEU 56 1HD1 LEU 56 11.517 -4.524 -4.645 458 2HD1 LEU 56 2HD1 LEU 56 12.041 -5.652 -5.919 459 3HD1 LEU 56 3HD1 LEU 56 10.370 -5.712 -5.309 460 1HD2 LEU 56 1HD2 LEU 56 13.770 -6.049 -3.157 461 2HD2 LEU 56 2HD2 LEU 56 12.507 -4.836 -2.838 462 3HD2 LEU 56 3HD2 LEU 56 12.518 -6.368 -1.932 463 H ILE 57 H ILE 57 8.277 -4.191 -3.405 464 HA ILE 57 HA ILE 57 6.118 -5.825 -4.548 465 HB ILE 57 HB ILE 57 5.422 -4.749 -2.487 466 1HG1 ILE 57 1HG1 ILE 57 4.192 -3.467 -4.945 467 2HG1 ILE 57 2HG1 ILE 57 3.810 -5.062 -4.327 468 1HG2 ILE 57 1HG2 ILE 57 5.945 -2.072 -3.790 469 2HG2 ILE 57 2HG2 ILE 57 5.448 -2.411 -2.114 470 3HG2 ILE 57 3HG2 ILE 57 7.083 -2.851 -2.664 471 1HD1 ILE 57 1HD1 ILE 57 3.183 -2.360 -3.127 472 2HD1 ILE 57 2HD1 ILE 57 2.117 -3.767 -3.352 473 3HD1 ILE 57 3HD1 ILE 57 3.337 -3.774 -2.056 474 H ALA 58 H ALA 58 7.643 -2.524 -4.641 475 HA ALA 58 HA ALA 58 8.432 -2.590 -7.245 476 1HB ALA 58 1HB ALA 58 5.563 -2.523 -7.070 477 2HB ALA 58 2HB ALA 58 6.129 -0.965 -7.717 478 3HB ALA 58 3HB ALA 58 6.590 -2.484 -8.523 479 H HIS 59 H HIS 59 7.724 0.083 -8.076 480 HA HIS 59 HA HIS 59 8.550 1.667 -5.769 481 1HB HIS 59 1HB HIS 59 10.214 0.967 -7.985 482 2HB HIS 59 2HB HIS 59 9.856 2.678 -8.104 483 HD1 HIS 59 1HD HIS 59 10.383 0.707 -4.869 484 HD2 HIS 59 2HD HIS 59 12.191 3.750 -7.121 485 HE1 HIS 59 1HE HIS 59 12.312 1.593 -3.454 486 H ARG 60 H ARG 60 6.824 2.996 -5.468 487 HA ARG 60 HA ARG 60 5.412 4.593 -5.858 488 1HB ARG 60 1HB ARG 60 7.343 5.152 -7.766 489 2HB ARG 60 2HB ARG 60 5.919 4.987 -8.773 490 1HG ARG 60 1HG ARG 60 4.762 6.562 -7.007 491 2HG ARG 60 2HG ARG 60 6.396 6.944 -6.500 492 1HD ARG 60 1HD ARG 60 6.599 8.396 -8.231 493 2HD ARG 60 2HD ARG 60 6.370 7.084 -9.370 494 HE ARG 60 HE ARG 60 3.811 7.827 -8.322 495 1HH1 ARG 60 1HH1 ARG 60 2.979 10.068 -10.866 496 2HH1 ARG 60 2HH1 ARG 60 2.376 9.107 -9.557 497 1HH2 ARG 60 1HH2 ARG 60 5.245 10.055 -11.365 498 2HH2 ARG 60 2HH2 ARG 60 6.333 9.084 -10.429 499 H LEU 61 H LEU 61 3.252 4.969 -6.932 500 HA LEU 61 HA LEU 61 2.447 2.720 -8.627 501 1HB LEU 61 1HB LEU 61 1.718 3.129 -5.912 502 2HB LEU 61 2HB LEU 61 0.304 3.465 -6.889 503 HG LEU 61 HG LEU 61 0.342 1.144 -6.157 504 1HD1 LEU 61 1HD1 LEU 61 0.091 0.036 -8.368 505 2HD1 LEU 61 2HD1 LEU 61 -0.765 1.591 -8.247 506 3HD1 LEU 61 3HD1 LEU 61 0.774 1.489 -9.136 507 1HD2 LEU 61 1HD2 LEU 61 2.206 -0.046 -6.022 508 2HD2 LEU 61 2HD2 LEU 61 2.420 0.047 -7.787 509 3HD2 LEU 61 3HD2 LEU 61 3.114 1.307 -6.738 510 H ALA 62 H ALA 62 -0.242 3.467 -8.960 511 HA ALA 62 HA ALA 62 0.146 5.952 -10.451 512 1HB ALA 62 1HB ALA 62 -0.583 4.249 -11.897 513 2HB ALA 62 2HB ALA 62 -1.692 3.563 -10.687 514 3HB ALA 62 3HB ALA 62 -2.091 5.101 -11.487 515 H SER 63 H SER 63 -3.049 4.738 -9.540 516 HA SER 63 HA SER 63 -3.435 6.022 -7.182 517 1HB SER 63 1HB SER 63 -3.381 7.887 -9.462 518 2HB SER 63 2HB SER 63 -4.891 7.970 -8.578 519 HG SER 63 HG SER 63 -2.324 8.049 -7.252 520 H VAL 64 H VAL 64 -5.311 5.082 -6.448 521 HA VAL 64 HA VAL 64 -7.026 3.816 -8.384 522 HB VAL 64 HB VAL 64 -6.972 3.900 -5.364 523 1HG1 VAL 64 1HG1 VAL 64 -8.915 2.625 -7.275 524 2HG1 VAL 64 2HG1 VAL 64 -8.546 1.837 -5.722 525 3HG1 VAL 64 3HG1 VAL 64 -9.222 3.485 -5.747 526 1HG2 VAL 64 1HG2 VAL 64 -5.570 2.343 -7.355 527 2HG2 VAL 64 2HG2 VAL 64 -5.386 2.347 -5.584 528 3HG2 VAL 64 3HG2 VAL 64 -6.592 1.285 -6.352 529 H ASN 65 H ASN 65 -8.401 5.209 -5.437 530 HA ASN 65 HA ASN 65 -10.632 6.134 -6.474 531 1HB ASN 65 1HB ASN 65 -10.668 7.850 -4.627 532 2HB ASN 65 2HB ASN 65 -10.129 6.280 -4.064 533 1HD2 ASN 65 1HD2 ASN 65 -7.987 5.921 -3.542 534 2HD2 ASN 65 2HD2 ASN 65 -6.848 7.196 -3.267 535 H LEU 66 H LEU 66 -7.439 7.837 -6.410 536 HA LEU 66 HA LEU 66 -6.712 9.703 -7.363 537 1HB LEU 66 1HB LEU 66 -7.250 7.988 -9.264 538 2HB LEU 66 2HB LEU 66 -8.493 9.143 -9.705 539 HG LEU 66 HG LEU 66 -5.561 9.856 -9.433 540 1HD1 LEU 66 1HD1 LEU 66 -5.454 9.788 -11.883 541 2HD1 LEU 66 2HD1 LEU 66 -5.821 8.189 -11.192 542 3HD1 LEU 66 3HD1 LEU 66 -7.117 9.156 -11.939 543 1HD2 LEU 66 1HD2 LEU 66 -6.756 11.640 -11.170 544 2HD2 LEU 66 2HD2 LEU 66 -8.003 11.387 -9.924 545 3HD2 LEU 66 3HD2 LEU 66 -6.375 11.933 -9.456 546 H SER 67 H SER 67 -7.688 11.106 -5.770 547 HA SER 67 HA SER 67 -10.179 12.305 -6.642 548 1HB SER 67 1HB SER 67 -8.674 12.256 -4.009 549 2HB SER 67 2HB SER 67 -9.922 13.452 -4.293 550 HG SER 67 HG SER 67 -10.331 11.037 -3.383 551 H ARG 68 H ARG 68 -7.549 13.810 -4.689 552 HA ARG 68 HA ARG 68 -6.559 15.331 -6.819 553 1HB ARG 68 1HB ARG 68 -7.365 17.577 -6.050 554 2HB ARG 68 2HB ARG 68 -8.685 16.561 -6.598 555 1HG ARG 68 1HG ARG 68 -9.691 16.905 -4.595 556 2HG ARG 68 2HG ARG 68 -8.432 15.938 -3.854 557 1HD ARG 68 1HD ARG 68 -8.564 18.137 -2.740 558 2HD ARG 68 2HD ARG 68 -7.022 17.977 -3.556 559 HE ARG 68 HE ARG 68 -7.668 19.634 -5.112 560 1HH1 ARG 68 1HH1 ARG 68 -10.595 21.532 -5.194 561 2HH1 ARG 68 2HH1 ARG 68 -8.987 21.363 -5.813 562 1HH2 ARG 68 1HH2 ARG 68 -11.411 20.000 -3.653 563 2HH2 ARG 68 2HH2 ARG 68 -10.412 18.690 -3.121 564 H LEU 69 H LEU 69 -5.261 17.384 -5.689 565 HA LEU 69 HA LEU 69 -4.519 17.125 -3.015 566 1HB LEU 69 1HB LEU 69 -3.375 15.135 -4.668 567 2HB LEU 69 2HB LEU 69 -2.100 16.283 -4.310 568 HG LEU 69 HG LEU 69 -1.823 14.890 -2.541 569 1HD1 LEU 69 1HD1 LEU 69 -2.482 15.933 -0.587 570 2HD1 LEU 69 2HD1 LEU 69 -2.668 17.235 -1.787 571 3HD1 LEU 69 3HD1 LEU 69 -4.096 16.339 -1.218 572 1HD2 LEU 69 1HD2 LEU 69 -4.025 13.633 -3.408 573 2HD2 LEU 69 2HD2 LEU 69 -3.240 13.262 -1.854 574 3HD2 LEU 69 3HD2 LEU 69 -4.669 14.322 -1.899 575 HA PRO 70 HA PRO 70 -1.765 20.105 -5.407 576 1HB PRO 70 1HB PRO 70 -1.601 20.000 -8.133 577 2HB PRO 70 2HB PRO 70 -0.455 19.203 -7.072 578 1HG PRO 70 1HG PRO 70 -2.641 18.012 -8.667 579 2HG PRO 70 2HG PRO 70 -1.246 17.225 -7.954 580 1HD PRO 70 1HD PRO 70 -3.940 17.166 -6.971 581 2HD PRO 70 2HD PRO 70 -2.526 16.477 -6.197 582 H TYR 71 H TYR 71 -2.052 22.272 -6.153 583 HA TYR 71 HA TYR 71 -4.601 22.758 -7.441 584 1HB TYR 71 1HB TYR 71 -5.168 24.359 -5.520 585 2HB TYR 71 2HB TYR 71 -5.161 22.679 -5.021 586 HD1 TYR 71 1HD TYR 71 -2.767 21.820 -4.141 587 HD2 TYR 71 2HD TYR 71 -4.067 25.895 -4.173 588 HE1 TYR 71 1HE TYR 71 -1.090 22.376 -2.313 589 HE2 TYR 71 2HE TYR 71 -2.386 26.438 -2.345 590 HH TYR 71 HH TYR 71 -1.236 24.740 -0.396 591 H GLU 72 H GLU 72 -1.707 24.153 -5.763 592 HA GLU 72 HA GLU 72 -0.786 26.166 -6.076 593 1HB GLU 72 1HB GLU 72 0.632 26.113 -8.074 594 2HB GLU 72 2HB GLU 72 0.508 24.502 -7.394 595 1HG GLU 72 1HG GLU 72 -1.595 24.368 -9.097 596 2HG GLU 72 2HG GLU 72 -0.663 25.586 -9.945 597 HA PRO 73 HA PRO 73 -4.033 28.489 -8.081 598 1HB PRO 73 1HB PRO 73 -4.111 30.538 -6.275 599 2HB PRO 73 2HB PRO 73 -5.104 29.102 -6.137 600 1HG PRO 73 1HG PRO 73 -2.693 29.843 -4.595 601 2HG PRO 73 2HG PRO 73 -3.923 28.657 -4.205 602 1HD PRO 73 1HD PRO 73 -1.293 28.131 -5.221 603 2HD PRO 73 2HD PRO 73 -2.564 26.956 -4.941 604 H LYS 74 H LYS 74 -2.292 28.561 -9.754 605 HA LYS 74 HA LYS 74 -1.945 31.068 -10.652 606 1HB LYS 74 1HB LYS 74 -0.227 30.662 -8.355 607 2HB LYS 74 2HB LYS 74 0.735 30.963 -9.788 608 1HG LYS 74 1HG LYS 74 -1.215 32.853 -10.141 609 2HG LYS 74 2HG LYS 74 -1.209 32.763 -8.391 610 1HD LYS 74 1HD LYS 74 1.496 32.869 -9.652 611 2HD LYS 74 2HD LYS 74 0.525 34.311 -9.872 612 1HE LYS 74 2HE LYS 74 0.365 33.308 -7.106 613 2HE LYS 74 3HE LYS 74 2.020 33.635 -7.579 614 1HZ LYS 74 1HZ LYS 74 0.177 35.472 -6.833 615 2HZ LYS 74 2HZ LYS 74 1.616 35.790 -7.536 616 3HZ LYS 74 3HZ LYS 74 0.268 35.673 -8.451 617 H LEU 75 H LEU 75 0.151 31.185 -12.187 618 HA LEU 75 HA LEU 75 1.520 28.963 -12.945 619 1HB LEU 75 1HB LEU 75 0.147 28.254 -14.971 620 2HB LEU 75 2HB LEU 75 -0.308 27.639 -13.395 621 HG LEU 75 HG LEU 75 -1.777 30.053 -13.859 622 1HD1 LEU 75 1HD1 LEU 75 -2.413 28.085 -16.030 623 2HD1 LEU 75 2HD1 LEU 75 -2.818 29.813 -15.898 624 3HD1 LEU 75 3HD1 LEU 75 -1.154 29.316 -16.292 625 1HD2 LEU 75 1HD2 LEU 75 -2.780 28.583 -12.416 626 2HD2 LEU 75 2HD2 LEU 75 -3.678 28.228 -13.912 627 3HD2 LEU 75 3HD2 LEU 75 -2.356 27.155 -13.391 628 H LYS 76 H LYS 76 3.153 30.257 -13.648 629 HA LYS 76 HA LYS 76 2.443 32.160 -15.771 630 1HB LYS 76 1HB LYS 76 4.164 32.508 -13.339 631 2HB LYS 76 2HB LYS 76 4.590 33.362 -14.808 632 1HG LYS 76 1HG LYS 76 1.729 33.603 -14.396 633 2HG LYS 76 2HG LYS 76 2.545 34.031 -12.906 634 1HD LYS 76 1HD LYS 76 4.127 35.458 -14.477 635 2HD LYS 76 2HD LYS 76 2.831 35.303 -15.644 636 1HE LYS 76 2HE LYS 76 1.271 36.110 -13.675 637 2HE LYS 76 3HE LYS 76 2.758 36.648 -12.922 638 1HZ LYS 76 1HZ LYS 76 1.460 37.643 -15.297 639 2HZ LYS 76 2HZ LYS 76 2.287 38.453 -14.145 640 3HZ LYS 76 3HZ LYS 76 3.094 37.645 -15.313 Start of MODEL 8 1 H MET 1 H MET 1 19.501 -27.595 11.760 2 HA MET 1 HA MET 1 17.481 -26.441 10.316 3 1HB MET 1 1HB MET 1 16.734 -25.575 12.560 4 2HB MET 1 2HB MET 1 17.264 -27.243 12.661 5 1HG MET 1 1HG MET 1 19.534 -26.447 13.432 6 2HG MET 1 2HG MET 1 18.945 -24.797 13.394 7 1HE MET 1 1HE MET 1 18.041 -24.414 16.908 8 2HE MET 1 2HE MET 1 19.237 -24.091 15.630 9 3HE MET 1 3HE MET 1 17.520 -23.706 15.360 10 H LEU 2 H LEU 2 20.402 -24.973 11.805 11 HA LEU 2 HA LEU 2 21.199 -22.903 11.791 12 1HB LEU 2 1HB LEU 2 20.196 -23.326 9.004 13 2HB LEU 2 2HB LEU 2 20.863 -21.768 9.448 14 HG LEU 2 HG LEU 2 22.564 -24.025 10.251 15 1HD1 LEU 2 1HD1 LEU 2 21.907 -23.612 7.326 16 2HD1 LEU 2 2HD1 LEU 2 23.372 -24.438 7.909 17 3HD1 LEU 2 3HD1 LEU 2 21.765 -25.106 8.283 18 1HD2 LEU 2 1HD2 LEU 2 22.997 -21.460 8.700 19 2HD2 LEU 2 2HD2 LEU 2 23.380 -21.780 10.409 20 3HD2 LEU 2 3HD2 LEU 2 24.288 -22.610 9.122 21 H LYS 3 H LYS 3 20.506 -20.429 10.918 22 HA LYS 3 HA LYS 3 17.742 -20.078 11.839 23 1HB LYS 3 1HB LYS 3 18.788 -17.895 12.903 24 2HB LYS 3 2HB LYS 3 18.751 -19.414 13.773 25 1HG LYS 3 1HG LYS 3 21.079 -19.915 12.997 26 2HG LYS 3 2HG LYS 3 21.116 -18.393 12.129 27 1HD LYS 3 1HD LYS 3 20.374 -17.492 14.608 28 2HD LYS 3 2HD LYS 3 21.296 -18.907 15.073 29 1HE LYS 3 2HE LYS 3 23.005 -17.864 13.215 30 2HE LYS 3 3HE LYS 3 22.228 -16.385 13.743 31 1HZ LYS 3 1HZ LYS 3 23.656 -16.492 15.412 32 2HZ LYS 3 2HZ LYS 3 22.725 -17.677 16.045 33 3HZ LYS 3 3HZ LYS 3 24.038 -18.059 15.152 34 H ASN 4 H ASN 4 16.524 -18.900 10.455 35 HA ASN 4 HA ASN 4 17.577 -18.090 8.041 36 1HB ASN 4 1HB ASN 4 15.092 -18.556 8.797 37 2HB ASN 4 2HB ASN 4 15.067 -16.867 9.266 38 1HD2 ASN 4 1HD2 ASN 4 13.289 -17.225 7.547 39 2HD2 ASN 4 2HD2 ASN 4 13.705 -16.801 5.920 40 H LEU 5 H LEU 5 19.359 -16.608 8.341 41 HA LEU 5 HA LEU 5 20.375 -14.677 8.665 42 1HB LEU 5 1HB LEU 5 17.567 -13.861 8.125 43 2HB LEU 5 2HB LEU 5 18.656 -12.635 8.741 44 HG LEU 5 HG LEU 5 20.238 -13.254 6.840 45 1HD1 LEU 5 1HD1 LEU 5 19.062 -14.271 4.842 46 2HD1 LEU 5 2HD1 LEU 5 19.463 -15.385 6.171 47 3HD1 LEU 5 3HD1 LEU 5 17.793 -14.803 5.970 48 1HD2 LEU 5 1HD2 LEU 5 18.859 -11.977 5.145 49 2HD2 LEU 5 2HD2 LEU 5 17.537 -11.991 6.336 50 3HD2 LEU 5 3HD2 LEU 5 19.079 -11.192 6.726 51 H ALA 6 H ALA 6 20.551 -12.689 10.231 52 HA ALA 6 HA ALA 6 20.720 -13.656 12.798 53 1HB ALA 6 1HB ALA 6 20.570 -10.859 11.632 54 2HB ALA 6 2HB ALA 6 20.839 -11.149 13.367 55 3HB ALA 6 3HB ALA 6 22.007 -11.759 12.171 56 H LYS 7 H LYS 7 18.141 -11.584 11.304 57 HA LYS 7 HA LYS 7 16.096 -12.830 12.731 58 1HB LYS 7 1HB LYS 7 17.454 -11.389 14.521 59 2HB LYS 7 2HB LYS 7 16.465 -10.094 13.877 60 1HG LYS 7 1HG LYS 7 14.465 -11.047 14.626 61 2HG LYS 7 2HG LYS 7 15.078 -12.686 14.527 62 1HD LYS 7 1HD LYS 7 16.296 -12.488 16.575 63 2HD LYS 7 2HD LYS 7 16.232 -10.738 16.553 64 1HE LYS 7 2HE LYS 7 13.730 -12.468 16.802 65 2HE LYS 7 3HE LYS 7 14.632 -11.909 18.196 66 1HZ LYS 7 1HZ LYS 7 12.699 -10.530 17.023 67 2HZ LYS 7 2HZ LYS 7 13.881 -9.846 17.919 68 3HZ LYS 7 3HZ LYS 7 13.999 -9.867 16.290 69 H LEU 8 H LEU 8 17.054 -9.476 11.694 70 HA LEU 8 HA LEU 8 16.021 -8.029 10.368 71 1HB LEU 8 1HB LEU 8 16.962 -9.215 8.621 72 2HB LEU 8 2HB LEU 8 15.924 -10.607 8.854 73 HG LEU 8 HG LEU 8 14.432 -8.190 8.123 74 1HD1 LEU 8 1HD1 LEU 8 15.436 -8.886 5.626 75 2HD1 LEU 8 2HD1 LEU 8 15.776 -7.396 6.538 76 3HD1 LEU 8 3HD1 LEU 8 16.878 -8.789 6.665 77 1HD2 LEU 8 1HD2 LEU 8 14.196 -10.347 6.253 78 2HD2 LEU 8 2HD2 LEU 8 14.209 -11.007 7.906 79 3HD2 LEU 8 3HD2 LEU 8 13.020 -9.762 7.454 80 H ASP 9 H ASP 9 14.346 -7.253 11.669 81 HA ASP 9 HA ASP 9 11.760 -8.102 10.788 82 1HB ASP 9 1HB ASP 9 11.036 -8.147 13.321 83 2HB ASP 9 2HB ASP 9 11.738 -9.583 12.603 84 H GLN 10 H GLN 10 13.181 -5.706 10.314 85 HA GLN 10 HA GLN 10 11.967 -3.859 12.218 86 1HB GLN 10 1HB GLN 10 14.551 -3.929 11.861 87 2HB GLN 10 2HB GLN 10 14.231 -3.161 10.318 88 1HG GLN 10 1HG GLN 10 12.876 -1.392 11.634 89 2HG GLN 10 2HG GLN 10 13.559 -2.088 13.090 90 1HE2 GLN 10 1HE2 GLN 10 13.846 0.485 11.392 91 2HE2 GLN 10 2HE2 GLN 10 15.554 0.771 11.333 92 H THR 11 H THR 11 11.787 -5.167 9.062 93 HA THR 11 HA THR 11 10.995 -2.861 7.623 94 HB THR 11 HB THR 11 10.769 -5.880 7.270 95 HG1 THR 11 1HG THR 11 12.812 -4.770 6.907 96 1HG2 THR 11 1HG2 THR 11 8.842 -4.414 6.125 97 2HG2 THR 11 2HG2 THR 11 10.165 -3.915 5.043 98 3HG2 THR 11 3HG2 THR 11 9.720 -5.634 5.172 99 H GLU 12 H GLU 12 9.087 -5.523 9.179 100 HA GLU 12 HA GLU 12 6.641 -4.423 8.532 101 1HB GLU 12 1HB GLU 12 7.264 -6.776 9.471 102 2HB GLU 12 2HB GLU 12 7.145 -6.037 11.054 103 1HG GLU 12 1HG GLU 12 4.801 -5.173 10.246 104 2HG GLU 12 2HG GLU 12 4.959 -6.361 8.967 105 H MET 13 H MET 13 9.023 -3.532 10.946 106 HA MET 13 HA MET 13 7.318 -2.343 12.790 107 1HB MET 13 1HB MET 13 9.813 -2.915 13.034 108 2HB MET 13 2HB MET 13 10.176 -1.521 12.034 109 1HG MET 13 1HG MET 13 9.255 0.015 13.669 110 2HG MET 13 2HG MET 13 8.512 -1.285 14.579 111 1HE MET 13 1HE MET 13 9.954 -3.351 15.360 112 2HE MET 13 2HE MET 13 11.302 -2.979 16.461 113 3HE MET 13 3HE MET 13 9.702 -2.248 16.734 114 H ASP 14 H ASP 14 8.730 -1.213 9.707 115 HA ASP 14 HA ASP 14 8.061 1.488 10.172 116 1HB ASP 14 1HB ASP 14 9.836 0.526 8.559 117 2HB ASP 14 2HB ASP 14 8.514 0.122 7.484 118 H LYS 15 H LYS 15 6.476 -1.418 8.920 119 HA LYS 15 HA LYS 15 4.387 0.069 7.588 120 1HB LYS 15 1HB LYS 15 5.289 -2.749 7.742 121 2HB LYS 15 2HB LYS 15 3.557 -2.526 7.596 122 1HG LYS 15 1HG LYS 15 4.765 -2.679 5.375 123 2HG LYS 15 2HG LYS 15 3.799 -1.228 5.561 124 1HD LYS 15 1HD LYS 15 5.811 -0.341 4.742 125 2HD LYS 15 2HD LYS 15 6.024 -0.143 6.470 126 1HE LYS 15 2HE LYS 15 7.883 -1.438 6.400 127 2HE LYS 15 3HE LYS 15 6.932 -2.791 5.820 128 1HZ LYS 15 1HZ LYS 15 7.550 -0.781 3.859 129 2HZ LYS 15 2HZ LYS 15 8.827 -1.639 4.406 130 3HZ LYS 15 3HZ LYS 15 7.559 -2.408 3.724 131 H VAL 16 H VAL 16 4.972 -1.726 10.633 132 HA VAL 16 HA VAL 16 2.313 -1.814 11.480 133 HB VAL 16 HB VAL 16 4.924 -2.452 12.451 134 1HG1 VAL 16 1HG1 VAL 16 3.157 -1.072 14.501 135 2HG1 VAL 16 2HG1 VAL 16 4.657 -1.970 14.841 136 3HG1 VAL 16 3HG1 VAL 16 4.715 -0.468 13.887 137 1HG2 VAL 16 1HG2 VAL 16 2.085 -3.239 13.071 138 2HG2 VAL 16 2HG2 VAL 16 3.390 -4.195 12.328 139 3HG2 VAL 16 3HG2 VAL 16 3.425 -3.845 14.074 140 H ASN 17 H ASN 17 4.440 0.842 10.969 141 HA ASN 17 HA ASN 17 3.400 2.456 13.053 142 1HB ASN 17 1HB ASN 17 5.688 2.640 11.735 143 2HB ASN 17 2HB ASN 17 4.752 3.505 10.533 144 1HD2 ASN 17 1HD2 ASN 17 4.721 3.386 14.095 145 2HD2 ASN 17 2HD2 ASN 17 4.887 5.088 14.374 146 H VAL 18 H VAL 18 3.371 2.817 9.419 147 HA VAL 18 HA VAL 18 1.258 4.625 9.367 148 HB VAL 18 HB VAL 18 2.083 2.675 7.212 149 1HG1 VAL 18 1HG1 VAL 18 1.048 5.498 6.874 150 2HG1 VAL 18 2HG1 VAL 18 1.190 4.210 5.653 151 3HG1 VAL 18 3HG1 VAL 18 -0.034 4.086 6.940 152 1HG2 VAL 18 1HG2 VAL 18 3.419 5.147 8.268 153 2HG2 VAL 18 2HG2 VAL 18 4.131 3.614 7.710 154 3HG2 VAL 18 3HG2 VAL 18 3.505 4.787 6.526 155 H ASP 19 H ASP 19 1.308 1.274 10.134 156 HA ASP 19 HA ASP 19 -0.933 0.287 9.017 157 1HB ASP 19 1HB ASP 19 0.311 -1.201 10.363 158 2HB ASP 19 2HB ASP 19 0.392 -0.080 11.708 159 H LEU 20 H LEU 20 -0.542 2.657 11.662 160 HA LEU 20 HA LEU 20 -3.227 2.505 12.580 161 1HB LEU 20 1HB LEU 20 -0.808 3.664 13.404 162 2HB LEU 20 2HB LEU 20 -1.893 5.011 13.128 163 HG LEU 20 HG LEU 20 -1.927 4.250 15.458 164 1HD1 LEU 20 1HD1 LEU 20 -4.015 5.092 14.056 165 2HD1 LEU 20 2HD1 LEU 20 -4.629 3.471 14.462 166 3HD1 LEU 20 3HD1 LEU 20 -4.159 4.596 15.759 167 1HD2 LEU 20 1HD2 LEU 20 -2.400 1.617 14.187 168 2HD2 LEU 20 2HD2 LEU 20 -1.565 2.037 15.702 169 3HD2 LEU 20 3HD2 LEU 20 -3.343 1.961 15.657 170 H ALA 21 H ALA 21 -1.539 4.107 9.935 171 HA ALA 21 HA ALA 21 -3.001 6.311 9.435 172 1HB ALA 21 1HB ALA 21 -2.457 5.947 7.083 173 2HB ALA 21 2HB ALA 21 -1.091 5.421 8.095 174 3HB ALA 21 3HB ALA 21 -2.188 4.213 7.383 175 H ALA 22 H ALA 22 -3.831 3.173 7.805 176 HA ALA 22 HA ALA 22 -5.824 2.158 7.606 177 1HB ALA 22 1HB ALA 22 -7.479 4.379 8.695 178 2HB ALA 22 2HB ALA 22 -7.539 2.632 9.034 179 3HB ALA 22 3HB ALA 22 -6.317 3.651 9.829 180 H ALA 23 H ALA 23 -8.173 2.878 6.538 181 HA ALA 23 HA ALA 23 -9.217 3.801 4.808 182 1HB ALA 23 1HB ALA 23 -7.436 5.894 3.954 183 2HB ALA 23 2HB ALA 23 -9.011 6.036 4.771 184 3HB ALA 23 3HB ALA 23 -7.518 5.903 5.732 185 H GLY 24 H GLY 24 -9.160 2.312 3.190 186 1HA GLY 24 1HA GLY 24 -7.005 2.501 1.247 187 2HA GLY 24 2HA GLY 24 -7.132 0.975 2.098 188 H VAL 25 H VAL 25 -9.403 3.381 0.572 189 HA VAL 25 HA VAL 25 -10.715 1.082 -0.707 190 HB VAL 25 HB VAL 25 -12.169 3.633 -0.175 191 1HG1 VAL 25 1HG1 VAL 25 -12.797 0.760 -0.674 192 2HG1 VAL 25 2HG1 VAL 25 -13.909 1.668 0.378 193 3HG1 VAL 25 3HG1 VAL 25 -13.591 2.232 -1.280 194 1HG2 VAL 25 1HG2 VAL 25 -11.454 3.460 2.009 195 2HG2 VAL 25 2HG2 VAL 25 -12.886 2.404 2.054 196 3HG2 VAL 25 3HG2 VAL 25 -11.259 1.693 1.924 197 H ALA 26 H ALA 26 -10.501 4.705 -0.992 198 HA ALA 26 HA ALA 26 -11.024 4.917 -3.640 199 1HB ALA 26 1HB ALA 26 -8.803 6.574 -2.479 200 2HB ALA 26 2HB ALA 26 -10.223 7.077 -3.428 201 3HB ALA 26 3HB ALA 26 -10.408 6.647 -1.710 202 H PHE 27 H PHE 27 -8.179 3.537 -2.082 203 HA PHE 27 HA PHE 27 -6.472 3.770 -4.334 204 1HB PHE 27 1HB PHE 27 -5.045 3.052 -2.660 205 2HB PHE 27 2HB PHE 27 -6.430 2.950 -1.592 206 HD1 PHE 27 1HD PHE 27 -4.022 1.086 -3.546 207 HD2 PHE 27 2HD PHE 27 -7.623 0.786 -1.321 208 HE1 PHE 27 1HE PHE 27 -3.721 -1.401 -3.394 209 HE2 PHE 27 2HE PHE 27 -7.323 -1.701 -1.170 210 HZ PHE 27 HZ PHE 27 -5.375 -2.765 -2.208 211 H LYS 28 H LYS 28 -8.651 1.205 -3.024 212 HA LYS 28 HA LYS 28 -9.185 0.137 -5.529 213 1HB LYS 28 1HB LYS 28 -6.652 -0.519 -5.036 214 2HB LYS 28 2HB LYS 28 -7.403 -1.799 -4.105 215 1HG LYS 28 1HG LYS 28 -8.870 -1.705 -6.535 216 2HG LYS 28 2HG LYS 28 -7.195 -1.509 -7.011 217 1HD LYS 28 1HD LYS 28 -7.680 -3.619 -4.953 218 2HD LYS 28 2HD LYS 28 -8.392 -3.941 -6.522 219 1HE LYS 28 2HE LYS 28 -6.351 -4.640 -7.229 220 2HE LYS 28 3HE LYS 28 -5.802 -2.979 -7.123 221 1HZ LYS 28 1HZ LYS 28 -5.616 -5.050 -5.060 222 2HZ LYS 28 2HZ LYS 28 -4.399 -4.226 -5.772 223 3HZ LYS 28 3HZ LYS 28 -5.391 -3.469 -4.718 224 H GLU 29 H GLU 29 -11.080 -0.971 -5.338 225 HA GLU 29 HA GLU 29 -11.830 -1.636 -2.608 226 1HB GLU 29 1HB GLU 29 -14.123 -1.826 -4.224 227 2HB GLU 29 2HB GLU 29 -13.709 -0.506 -3.149 228 1HG GLU 29 1HG GLU 29 -14.058 0.521 -5.280 229 2HG GLU 29 2HG GLU 29 -12.317 0.478 -5.079 230 H ARG 30 H ARG 30 -11.823 -2.868 -6.006 231 HA ARG 30 HA ARG 30 -11.860 -4.862 -6.832 232 1HB ARG 30 1HB ARG 30 -9.970 -5.133 -5.036 233 2HB ARG 30 2HB ARG 30 -11.147 -6.053 -4.119 234 1HG ARG 30 1HG ARG 30 -10.986 -7.871 -5.498 235 2HG ARG 30 2HG ARG 30 -11.023 -6.890 -6.950 236 1HD ARG 30 1HD ARG 30 -8.539 -6.217 -6.026 237 2HD ARG 30 2HD ARG 30 -8.664 -7.828 -5.351 238 HE ARG 30 HE ARG 30 -9.485 -7.774 -8.142 239 1HH1 ARG 30 1HH1 ARG 30 -6.492 -9.138 -9.307 240 2HH1 ARG 30 2HH1 ARG 30 -8.138 -8.767 -9.698 241 1HH2 ARG 30 1HH2 ARG 30 -5.655 -8.627 -7.204 242 2HH2 ARG 30 2HH2 ARG 30 -6.677 -7.875 -6.025 243 H TYR 31 H TYR 31 -12.852 -5.606 -3.403 244 HA TYR 31 HA TYR 31 -14.879 -7.376 -4.153 245 1HB TYR 31 1HB TYR 31 -15.583 -6.537 -1.660 246 2HB TYR 31 2HB TYR 31 -14.163 -7.536 -1.897 247 HD1 TYR 31 1HD TYR 31 -11.985 -6.726 -1.385 248 HD2 TYR 31 2HD TYR 31 -15.298 -4.019 -1.466 249 HE1 TYR 31 1HE TYR 31 -10.543 -4.917 -0.328 250 HE2 TYR 31 2HE TYR 31 -13.845 -2.220 -0.411 251 HH TYR 31 HH TYR 31 -11.474 -1.679 -0.268 252 H ASN 32 H ASN 32 -14.730 -3.920 -4.300 253 HA ASN 32 HA ASN 32 -16.183 -2.403 -4.834 254 1HB ASN 32 1HB ASN 32 -16.999 -3.845 -6.629 255 2HB ASN 32 2HB ASN 32 -17.925 -4.824 -5.509 256 1HD2 ASN 32 1HD2 ASN 32 -19.873 -4.511 -6.465 257 2HD2 ASN 32 2HD2 ASN 32 -20.736 -3.010 -6.473 258 H MET 33 H MET 33 -16.017 -2.408 -2.232 259 HA MET 33 HA MET 33 -18.479 -3.191 -0.984 260 1HB MET 33 1HB MET 33 -15.722 -2.538 -0.201 261 2HB MET 33 2HB MET 33 -16.852 -1.653 0.802 262 1HG MET 33 1HG MET 33 -16.222 -3.955 1.695 263 2HG MET 33 2HG MET 33 -17.947 -3.684 1.539 264 1HE MET 33 1HE MET 33 -19.036 -6.639 -0.292 265 2HE MET 33 2HE MET 33 -19.035 -5.722 1.234 266 3HE MET 33 3HE MET 33 -19.503 -4.922 -0.286 267 HA PRO 34 HA PRO 34 -20.258 0.767 -0.780 268 1HB PRO 34 1HB PRO 34 -21.289 0.965 1.742 269 2HB PRO 34 2HB PRO 34 -22.059 0.049 0.462 270 1HG PRO 34 1HG PRO 34 -20.535 -0.944 2.794 271 2HG PRO 34 2HG PRO 34 -21.651 -1.813 1.761 272 1HD PRO 34 1HD PRO 34 -18.788 -1.966 1.707 273 2HD PRO 34 2HD PRO 34 -19.900 -2.745 0.600 274 H VAL 35 H VAL 35 -20.572 2.892 0.702 275 HA VAL 35 HA VAL 35 -17.958 3.940 0.771 276 HB VAL 35 HB VAL 35 -20.448 5.076 2.046 277 1HG1 VAL 35 1HG1 VAL 35 -19.443 7.194 1.791 278 2HG1 VAL 35 2HG1 VAL 35 -18.144 6.144 2.406 279 3HG1 VAL 35 3HG1 VAL 35 -18.202 6.569 0.678 280 1HG2 VAL 35 1HG2 VAL 35 -20.032 4.378 -0.707 281 2HG2 VAL 35 2HG2 VAL 35 -21.429 5.181 0.047 282 3HG2 VAL 35 3HG2 VAL 35 -20.065 6.151 -0.559 283 H ILE 36 H ILE 36 -17.363 1.859 2.199 284 HA ILE 36 HA ILE 36 -17.230 2.892 4.931 285 HB ILE 36 HB ILE 36 -18.606 0.486 4.031 286 1HG1 ILE 36 1HG1 ILE 36 -18.510 1.713 6.793 287 2HG1 ILE 36 2HG1 ILE 36 -19.434 2.427 5.486 288 1HG2 ILE 36 1HG2 ILE 36 -16.648 -0.720 4.643 289 2HG2 ILE 36 2HG2 ILE 36 -16.446 0.230 6.134 290 3HG2 ILE 36 3HG2 ILE 36 -17.814 -0.897 5.977 291 1HD1 ILE 36 1HD1 ILE 36 -19.776 -0.521 6.054 292 2HD1 ILE 36 2HD1 ILE 36 -20.569 0.668 7.115 293 3HD1 ILE 36 3HD1 ILE 36 -20.943 0.638 5.375 294 H ALA 37 H ALA 37 -15.366 2.039 6.146 295 HA ALA 37 HA ALA 37 -13.225 1.285 4.283 296 1HB ALA 37 1HB ALA 37 -12.406 2.254 6.921 297 2HB ALA 37 2HB ALA 37 -11.950 2.839 5.302 298 3HB ALA 37 3HB ALA 37 -13.445 3.424 6.072 299 H GLU 38 H GLU 38 -14.776 0.642 7.468 300 HA GLU 38 HA GLU 38 -13.027 -1.279 8.335 301 1HB GLU 38 1HB GLU 38 -14.953 -0.183 9.605 302 2HB GLU 38 2HB GLU 38 -16.040 -1.290 8.792 303 1HG GLU 38 1HG GLU 38 -15.603 -2.803 10.425 304 2HG GLU 38 2HG GLU 38 -13.985 -2.958 9.768 305 H ALA 39 H ALA 39 -15.191 -1.331 5.634 306 HA ALA 39 HA ALA 39 -15.268 -4.252 5.611 307 1HB ALA 39 1HB ALA 39 -17.066 -4.043 4.113 308 2HB ALA 39 2HB ALA 39 -17.297 -2.658 5.206 309 3HB ALA 39 3HB ALA 39 -16.574 -2.412 3.598 310 H VAL 40 H VAL 40 -13.427 -1.576 4.481 311 HA VAL 40 HA VAL 40 -12.681 -2.714 1.969 312 HB VAL 40 HB VAL 40 -12.173 -0.297 3.544 313 1HG1 VAL 40 1HG1 VAL 40 -9.966 -1.326 1.728 314 2HG1 VAL 40 2HG1 VAL 40 -10.029 0.264 2.527 315 3HG1 VAL 40 3HG1 VAL 40 -9.878 -1.217 3.502 316 1HG2 VAL 40 1HG2 VAL 40 -13.208 0.478 1.726 317 2HG2 VAL 40 2HG2 VAL 40 -11.733 0.133 0.791 318 3HG2 VAL 40 3HG2 VAL 40 -13.026 -1.087 0.897 319 H GLU 41 H GLU 41 -11.346 -2.588 5.311 320 HA GLU 41 HA GLU 41 -8.978 -3.930 4.531 321 1HB GLU 41 1HB GLU 41 -10.176 -2.887 7.058 322 2HB GLU 41 2HB GLU 41 -9.068 -4.230 7.254 323 1HG GLU 41 1HG GLU 41 -7.266 -2.913 6.829 324 2HG GLU 41 2HG GLU 41 -7.975 -2.312 5.343 325 H ARG 42 H ARG 42 -12.132 -4.832 6.002 326 HA ARG 42 HA ARG 42 -11.474 -7.376 6.756 327 1HB ARG 42 1HB ARG 42 -13.590 -6.376 7.431 328 2HB ARG 42 2HB ARG 42 -14.101 -6.174 5.766 329 1HG ARG 42 1HG ARG 42 -15.054 -8.228 5.802 330 2HG ARG 42 2HG ARG 42 -13.488 -8.955 6.101 331 1HD ARG 42 1HD ARG 42 -13.801 -8.452 8.581 332 2HD ARG 42 2HD ARG 42 -15.426 -7.905 8.218 333 HE ARG 42 HE ARG 42 -16.095 -10.134 8.031 334 1HH1 ARG 42 1HH1 ARG 42 -14.241 -13.080 7.785 335 2HH1 ARG 42 2HH1 ARG 42 -15.824 -12.402 7.971 336 1HH2 ARG 42 1HH2 ARG 42 -12.395 -11.685 7.598 337 2HH2 ARG 42 2HH2 ARG 42 -12.601 -9.965 7.644 338 H GLU 43 H GLU 43 -12.484 -6.032 3.577 339 HA GLU 43 HA GLU 43 -12.626 -8.639 2.417 340 1HB GLU 43 1HB GLU 43 -12.743 -5.879 1.121 341 2HB GLU 43 2HB GLU 43 -13.117 -7.389 0.316 342 1HG GLU 43 1HG GLU 43 -14.566 -6.821 2.891 343 2HG GLU 43 2HG GLU 43 -15.017 -5.859 1.497 344 H GLN 44 H GLN 44 -10.703 -5.660 1.573 345 HA GLN 44 HA GLN 44 -8.343 -7.280 1.448 346 1HB GLN 44 1HB GLN 44 -9.815 -6.992 -0.902 347 2HB GLN 44 2HB GLN 44 -8.628 -5.710 -1.040 348 1HG GLN 44 1HG GLN 44 -6.790 -7.333 -0.634 349 2HG GLN 44 2HG GLN 44 -7.954 -8.623 -0.409 350 1HE2 GLN 44 1HE2 GLN 44 -5.765 -8.075 -2.393 351 2HE2 GLN 44 2HE2 GLN 44 -6.479 -8.288 -3.957 352 HA PRO 45 HA PRO 45 -7.340 -3.220 2.916 353 1HB PRO 45 1HB PRO 45 -5.203 -3.963 4.449 354 2HB PRO 45 2HB PRO 45 -6.849 -3.934 5.049 355 1HG PRO 45 1HG PRO 45 -5.193 -6.264 4.297 356 2HG PRO 45 2HG PRO 45 -6.645 -6.221 5.276 357 1HD PRO 45 1HD PRO 45 -6.443 -7.076 2.547 358 2HD PRO 45 2HD PRO 45 -7.911 -6.923 3.491 359 H GLU 46 H GLU 46 -6.280 -1.642 1.884 360 HA GLU 46 HA GLU 46 -4.647 -2.381 -0.223 361 1HB GLU 46 1HB GLU 46 -4.604 -0.126 -0.720 362 2HB GLU 46 2HB GLU 46 -5.964 -0.135 0.384 363 1HG GLU 46 1HG GLU 46 -3.111 0.327 1.349 364 2HG GLU 46 2HG GLU 46 -4.126 1.644 0.795 365 H HIS 47 H HIS 47 -3.916 -1.305 3.137 366 HA HIS 47 HA HIS 47 -1.206 -0.944 2.861 367 1HB HIS 47 1HB HIS 47 -1.104 -0.992 5.198 368 2HB HIS 47 2HB HIS 47 -2.717 -0.414 4.832 369 HD1 HIS 47 1HD HIS 47 -4.733 -1.999 5.383 370 HD2 HIS 47 2HD HIS 47 -0.975 -3.515 6.466 371 HE1 HIS 47 1HE HIS 47 -5.180 -3.987 6.919 372 H LEU 48 H LEU 48 -3.138 -3.935 3.208 373 HA LEU 48 HA LEU 48 -1.045 -5.668 3.794 374 1HB LEU 48 1HB LEU 48 -3.829 -5.807 3.000 375 2HB LEU 48 2HB LEU 48 -2.891 -7.079 2.242 376 HG LEU 48 HG LEU 48 -3.847 -7.885 4.303 377 1HD1 LEU 48 1HD1 LEU 48 -1.525 -8.212 5.601 378 2HD1 LEU 48 2HD1 LEU 48 -1.928 -9.067 4.093 379 3HD1 LEU 48 3HD1 LEU 48 -0.899 -7.616 4.046 380 1HD2 LEU 48 1HD2 LEU 48 -2.264 -6.073 6.052 381 2HD2 LEU 48 2HD2 LEU 48 -3.714 -5.395 5.272 382 3HD2 LEU 48 3HD2 LEU 48 -3.852 -6.832 6.312 383 H ARG 49 H ARG 49 -1.862 -3.913 0.882 384 HA ARG 49 HA ARG 49 -0.786 -5.651 -0.970 385 1HB ARG 49 1HB ARG 49 -0.971 -3.849 -2.496 386 2HB ARG 49 2HB ARG 49 -2.154 -3.427 -1.274 387 1HG ARG 49 1HG ARG 49 -0.237 -2.091 -0.121 388 2HG ARG 49 2HG ARG 49 0.651 -2.295 -1.618 389 1HD ARG 49 1HD ARG 49 -2.030 -0.884 -1.247 390 2HD ARG 49 2HD ARG 49 -0.509 -0.158 -1.733 391 HE ARG 49 HE ARG 49 -1.484 -2.304 -3.509 392 1HH1 ARG 49 1HH1 ARG 49 -2.095 -0.045 -6.098 393 2HH1 ARG 49 2HH1 ARG 49 -1.979 -1.718 -5.662 394 1HH2 ARG 49 1HH2 ARG 49 -1.749 1.599 -4.497 395 2HH2 ARG 49 2HH2 ARG 49 -1.374 1.154 -2.866 396 H SER 50 H SER 50 0.671 -3.100 1.108 397 HA SER 50 HA SER 50 3.262 -3.760 -0.028 398 1HB SER 50 1HB SER 50 2.354 -1.418 1.701 399 2HB SER 50 2HB SER 50 4.018 -1.678 1.216 400 HG SER 50 HG SER 50 3.242 -1.617 -1.051 401 H TRP 51 H TRP 51 1.224 -3.952 2.853 402 HA TRP 51 HA TRP 51 3.302 -4.407 4.719 403 1HB TRP 51 1HB TRP 51 0.339 -4.609 4.668 404 2HB TRP 51 2HB TRP 51 1.178 -5.555 5.882 405 HD1 TRP 51 HD TRP 51 1.149 -4.204 8.110 406 HE1 TRP 51 1HE TRP 51 1.477 -1.717 8.929 407 HE3 TRP 51 3HE TRP 51 1.757 -2.204 3.475 408 HZ2 TRP 51 2HZ TRP 51 1.943 0.752 7.577 409 HZ3 TRP 51 3HZ TRP 51 2.144 0.253 3.312 410 HH2 TRP 51 HH TRP 51 2.242 1.719 5.266 411 H PHE 52 H PHE 52 1.682 -6.288 2.226 412 HA PHE 52 HA PHE 52 2.803 -8.748 3.353 413 1HB PHE 52 1HB PHE 52 0.280 -8.324 2.622 414 2HB PHE 52 2HB PHE 52 0.893 -8.401 0.982 415 HD1 PHE 52 1HD PHE 52 0.429 -10.411 -0.026 416 HD2 PHE 52 2HD PHE 52 1.452 -10.408 4.092 417 HE1 PHE 52 1HE PHE 52 0.239 -12.912 0.022 418 HE2 PHE 52 2HE PHE 52 1.262 -12.910 4.140 419 HZ PHE 52 HZ PHE 52 0.657 -14.133 2.105 420 H ARG 53 H ARG 53 2.686 -6.622 0.457 421 HA ARG 53 HA ARG 53 4.524 -8.387 -0.876 422 1HB ARG 53 1HB ARG 53 2.478 -6.993 -1.899 423 2HB ARG 53 2HB ARG 53 3.662 -5.704 -1.989 424 1HG ARG 53 1HG ARG 53 4.987 -6.830 -3.563 425 2HG ARG 53 2HG ARG 53 4.467 -8.416 -3.031 426 1HD ARG 53 1HD ARG 53 3.047 -8.419 -4.811 427 2HD ARG 53 2HD ARG 53 2.081 -7.254 -3.931 428 HE ARG 53 HE ARG 53 2.965 -5.503 -5.266 429 1HH1 ARG 53 1HH1 ARG 53 5.025 -5.769 -8.070 430 2HH1 ARG 53 2HH1 ARG 53 3.985 -4.726 -7.157 431 1HH2 ARG 53 1HH2 ARG 53 5.380 -7.954 -7.372 432 2HH2 ARG 53 2HH2 ARG 53 4.607 -8.542 -5.938 433 H GLU 54 H GLU 54 4.795 -6.118 1.498 434 HA GLU 54 HA GLU 54 6.381 -4.138 0.890 435 1HB GLU 54 1HB GLU 54 6.688 -4.088 3.128 436 2HB GLU 54 2HB GLU 54 5.866 -5.634 3.207 437 1HG GLU 54 1HG GLU 54 7.957 -5.994 4.309 438 2HG GLU 54 2HG GLU 54 8.144 -6.741 2.735 439 H ARG 55 H ARG 55 7.309 -7.585 0.734 440 HA ARG 55 HA ARG 55 9.986 -7.407 0.625 441 1HB ARG 55 1HB ARG 55 7.922 -9.221 -0.535 442 2HB ARG 55 2HB ARG 55 9.473 -9.294 -1.348 443 1HG ARG 55 1HG ARG 55 10.629 -9.818 0.741 444 2HG ARG 55 2HG ARG 55 9.182 -9.510 1.682 445 1HD ARG 55 1HD ARG 55 8.423 -11.443 -0.276 446 2HD ARG 55 2HD ARG 55 9.990 -11.961 0.314 447 HE ARG 55 HE ARG 55 7.526 -12.107 1.765 448 1HH1 ARG 55 1HH1 ARG 55 8.951 -12.490 4.927 449 2HH1 ARG 55 2HH1 ARG 55 7.511 -12.664 3.982 450 1HH2 ARG 55 1HH2 ARG 55 10.895 -11.690 3.945 451 2HH2 ARG 55 2HH2 ARG 55 10.907 -11.266 2.265 452 H LEU 56 H LEU 56 7.929 -7.620 -2.379 453 HA LEU 56 HA LEU 56 9.840 -5.783 -3.646 454 1HB LEU 56 1HB LEU 56 9.483 -6.992 -5.733 455 2HB LEU 56 2HB LEU 56 10.214 -7.990 -4.491 456 HG LEU 56 HG LEU 56 7.293 -8.221 -4.539 457 1HD1 LEU 56 1HD1 LEU 56 7.911 -7.760 -6.987 458 2HD1 LEU 56 2HD1 LEU 56 8.700 -9.355 -6.951 459 3HD1 LEU 56 3HD1 LEU 56 6.955 -9.218 -6.626 460 1HD2 LEU 56 1HD2 LEU 56 9.692 -9.933 -4.250 461 2HD2 LEU 56 2HD2 LEU 56 8.156 -9.931 -3.350 462 3HD2 LEU 56 3HD2 LEU 56 8.251 -10.712 -4.946 463 H ILE 57 H ILE 57 8.720 -3.865 -3.418 464 HA ILE 57 HA ILE 57 5.938 -3.669 -3.606 465 HB ILE 57 HB ILE 57 7.383 -2.053 -2.484 466 1HG1 ILE 57 1HG1 ILE 57 6.120 -0.343 -4.543 467 2HG1 ILE 57 2HG1 ILE 57 5.070 -1.561 -3.844 468 1HG2 ILE 57 1HG2 ILE 57 9.186 -2.158 -4.287 469 2HG2 ILE 57 2HG2 ILE 57 8.191 -0.990 -5.192 470 3HG2 ILE 57 3HG2 ILE 57 8.827 -0.560 -3.586 471 1HD1 ILE 57 1HD1 ILE 57 5.826 0.923 -2.694 472 2HD1 ILE 57 2HD1 ILE 57 4.891 -0.379 -1.921 473 3HD1 ILE 57 3HD1 ILE 57 6.660 -0.327 -1.740 474 H ALA 58 H ALA 58 8.522 -2.826 -6.022 475 HA ALA 58 HA ALA 58 8.499 -2.840 -8.236 476 1HB ALA 58 1HB ALA 58 6.699 -4.956 -7.489 477 2HB ALA 58 2HB ALA 58 6.050 -4.138 -8.931 478 3HB ALA 58 3HB ALA 58 7.698 -4.810 -8.955 479 H HIS 59 H HIS 59 6.569 -2.444 -10.188 480 HA HIS 59 HA HIS 59 5.278 0.001 -9.217 481 1HB HIS 59 1HB HIS 59 6.989 -0.553 -11.534 482 2HB HIS 59 2HB HIS 59 5.494 0.248 -11.970 483 HD1 HIS 59 1HD HIS 59 8.702 0.774 -10.076 484 HD2 HIS 59 2HD HIS 59 5.219 2.908 -11.026 485 HE1 HIS 59 1HE HIS 59 9.172 3.210 -9.479 486 H ARG 60 H ARG 60 3.339 0.628 -10.749 487 HA ARG 60 HA ARG 60 1.279 0.156 -11.237 488 1HB ARG 60 1HB ARG 60 2.728 -2.050 -12.762 489 2HB ARG 60 2HB ARG 60 0.994 -1.843 -12.907 490 1HG ARG 60 1HG ARG 60 1.677 -0.472 -14.653 491 2HG ARG 60 2HG ARG 60 1.656 0.713 -13.361 492 1HD ARG 60 1HD ARG 60 3.961 0.890 -13.295 493 2HD ARG 60 2HD ARG 60 4.212 -0.813 -13.620 494 HE ARG 60 HE ARG 60 4.010 1.330 -15.602 495 1HH1 ARG 60 1HH1 ARG 60 4.284 -0.870 -18.297 496 2HH1 ARG 60 2HH1 ARG 60 4.331 0.788 -17.800 497 1HH2 ARG 60 1HH2 ARG 60 3.896 -2.542 -16.734 498 2HH2 ARG 60 2HH2 ARG 60 3.654 -2.130 -15.069 499 H LEU 61 H LEU 61 0.293 -0.377 -9.241 500 HA LEU 61 HA LEU 61 0.174 -3.256 -8.662 501 1HB LEU 61 1HB LEU 61 0.336 -0.887 -6.809 502 2HB LEU 61 2HB LEU 61 -0.255 -2.450 -6.279 503 HG LEU 61 HG LEU 61 1.908 -3.478 -6.908 504 1HD1 LEU 61 1HD1 LEU 61 2.944 -2.310 -8.560 505 2HD1 LEU 61 2HD1 LEU 61 2.444 -0.727 -7.918 506 3HD1 LEU 61 3HD1 LEU 61 3.791 -1.610 -7.159 507 1HD2 LEU 61 1HD2 LEU 61 1.461 -1.542 -4.777 508 2HD2 LEU 61 2HD2 LEU 61 2.222 -3.152 -4.727 509 3HD2 LEU 61 3HD2 LEU 61 3.186 -1.725 -5.177 510 H ALA 62 H ALA 62 -1.522 -0.087 -8.758 511 HA ALA 62 HA ALA 62 -3.899 -1.258 -9.657 512 1HB ALA 62 1HB ALA 62 -3.849 -2.020 -7.208 513 2HB ALA 62 2HB ALA 62 -4.075 -0.307 -6.780 514 3HB ALA 62 3HB ALA 62 -5.310 -1.155 -7.739 515 H SER 63 H SER 63 -4.037 0.377 -11.162 516 HA SER 63 HA SER 63 -3.667 3.076 -10.233 517 1HB SER 63 1HB SER 63 -3.885 3.651 -12.664 518 2HB SER 63 2HB SER 63 -2.610 2.492 -12.343 519 HG SER 63 HG SER 63 -5.223 1.508 -12.976 520 H VAL 64 H VAL 64 -5.722 2.604 -8.810 521 HA VAL 64 HA VAL 64 -8.198 2.665 -10.287 522 HB VAL 64 HB VAL 64 -7.530 2.735 -7.339 523 1HG1 VAL 64 1HG1 VAL 64 -10.258 1.957 -8.121 524 2HG1 VAL 64 2HG1 VAL 64 -9.697 3.018 -6.807 525 3HG1 VAL 64 3HG1 VAL 64 -9.867 3.660 -8.459 526 1HG2 VAL 64 1HG2 VAL 64 -8.989 0.411 -8.251 527 2HG2 VAL 64 2HG2 VAL 64 -7.499 0.620 -9.205 528 3HG2 VAL 64 3HG2 VAL 64 -7.411 0.509 -7.431 529 H ASN 65 H ASN 65 -8.157 4.574 -7.385 530 HA ASN 65 HA ASN 65 -8.765 6.876 -8.988 531 1HB ASN 65 1HB ASN 65 -9.753 5.909 -6.583 532 2HB ASN 65 2HB ASN 65 -8.643 7.138 -6.011 533 1HD2 ASN 65 1HD2 ASN 65 -11.462 6.465 -7.970 534 2HD2 ASN 65 2HD2 ASN 65 -12.088 8.078 -8.065 535 H LEU 66 H LEU 66 -6.369 5.659 -6.583 536 HA LEU 66 HA LEU 66 -4.272 6.261 -6.185 537 1HB LEU 66 1HB LEU 66 -4.269 6.767 -8.679 538 2HB LEU 66 2HB LEU 66 -4.508 8.447 -8.246 539 HG LEU 66 HG LEU 66 -2.262 7.183 -6.827 540 1HD1 LEU 66 1HD1 LEU 66 -0.904 6.564 -8.524 541 2HD1 LEU 66 2HD1 LEU 66 -2.453 6.234 -9.338 542 3HD1 LEU 66 3HD1 LEU 66 -1.584 7.754 -9.658 543 1HD2 LEU 66 1HD2 LEU 66 -2.941 9.768 -8.131 544 2HD2 LEU 66 2HD2 LEU 66 -2.192 9.432 -6.551 545 3HD2 LEU 66 3HD2 LEU 66 -1.218 9.329 -8.037 546 H SER 67 H SER 67 -4.542 6.897 -4.071 547 HA SER 67 HA SER 67 -5.979 8.946 -3.138 548 1HB SER 67 1HB SER 67 -3.292 7.915 -2.134 549 2HB SER 67 2HB SER 67 -4.308 8.998 -1.206 550 HG SER 67 HG SER 67 -5.498 7.330 -0.609 551 H ARG 68 H ARG 68 -5.654 11.195 -2.682 552 HA ARG 68 HA ARG 68 -3.195 12.419 -3.231 553 1HB ARG 68 1HB ARG 68 -3.986 13.850 -5.155 554 2HB ARG 68 2HB ARG 68 -3.837 12.157 -5.580 555 1HG ARG 68 1HG ARG 68 -6.023 12.087 -6.169 556 2HG ARG 68 2HG ARG 68 -6.494 12.540 -4.542 557 1HD ARG 68 1HD ARG 68 -6.037 14.980 -5.190 558 2HD ARG 68 2HD ARG 68 -5.821 14.435 -6.841 559 HE ARG 68 HE ARG 68 -8.301 13.388 -5.871 560 1HH1 ARG 68 1HH1 ARG 68 -10.321 15.982 -7.041 561 2HH1 ARG 68 2HH1 ARG 68 -10.287 14.349 -6.465 562 1HH2 ARG 68 1HH2 ARG 68 -8.350 17.194 -7.210 563 2HH2 ARG 68 2HH2 ARG 68 -6.844 16.466 -6.760 564 H LEU 69 H LEU 69 -3.473 14.939 -3.074 565 HA LEU 69 HA LEU 69 -4.195 16.689 -1.940 566 1HB LEU 69 1HB LEU 69 -6.054 16.836 -3.312 567 2HB LEU 69 2HB LEU 69 -6.786 15.378 -2.670 568 HG LEU 69 HG LEU 69 -6.458 17.797 -0.911 569 1HD1 LEU 69 1HD1 LEU 69 -8.873 17.359 -2.676 570 2HD1 LEU 69 2HD1 LEU 69 -8.506 18.749 -1.627 571 3HD1 LEU 69 3HD1 LEU 69 -7.543 18.464 -3.096 572 1HD2 LEU 69 1HD2 LEU 69 -7.964 15.241 -0.857 573 2HD2 LEU 69 2HD2 LEU 69 -7.241 16.186 0.468 574 3HD2 LEU 69 3HD2 LEU 69 -8.806 16.676 -0.224 575 HA PRO 70 HA PRO 70 -4.043 14.912 2.059 576 1HB PRO 70 1HB PRO 70 -2.849 17.030 3.306 577 2HB PRO 70 2HB PRO 70 -1.949 15.770 2.486 578 1HG PRO 70 1HG PRO 70 -2.489 18.538 1.601 579 2HG PRO 70 2HG PRO 70 -1.269 17.420 1.025 580 1HD PRO 70 1HD PRO 70 -3.724 18.105 -0.288 581 2HD PRO 70 2HD PRO 70 -2.560 16.902 -0.805 582 H TYR 71 H TYR 71 -5.335 14.840 3.858 583 HA TYR 71 HA TYR 71 -7.633 16.520 3.651 584 1HB TYR 71 1HB TYR 71 -7.229 14.022 4.493 585 2HB TYR 71 2HB TYR 71 -6.701 14.764 5.990 586 HD1 TYR 71 1HD TYR 71 -9.594 14.173 3.778 587 HD2 TYR 71 2HD TYR 71 -8.285 15.785 7.518 588 HE1 TYR 71 1HE TYR 71 -12.005 14.294 4.578 589 HE2 TYR 71 2HE TYR 71 -10.700 15.900 8.306 590 HH TYR 71 HH TYR 71 -13.344 14.867 6.164 591 H GLU 72 H GLU 72 -8.507 17.592 5.758 592 HA GLU 72 HA GLU 72 -6.271 18.999 6.999 593 1HB GLU 72 1HB GLU 72 -8.606 20.020 5.552 594 2HB GLU 72 2HB GLU 72 -8.535 20.679 7.175 595 1HG GLU 72 1HG GLU 72 -6.543 21.813 6.789 596 2HG GLU 72 2HG GLU 72 -5.941 20.606 5.670 597 HA PRO 73 HA PRO 73 -8.170 17.344 10.587 598 1HB PRO 73 1HB PRO 73 -6.264 18.120 12.384 599 2HB PRO 73 2HB PRO 73 -6.151 16.645 11.444 600 1HG PRO 73 1HG PRO 73 -4.688 19.188 11.085 601 2HG PRO 73 2HG PRO 73 -4.301 17.600 10.454 602 1HD PRO 73 1HD PRO 73 -5.460 19.787 9.005 603 2HD PRO 73 2HD PRO 73 -5.181 18.164 8.406 604 H LYS 74 H LYS 74 -6.856 20.609 10.632 605 HA LYS 74 HA LYS 74 -9.221 21.857 11.126 606 1HB LYS 74 1HB LYS 74 -8.501 20.369 13.424 607 2HB LYS 74 2HB LYS 74 -8.177 22.046 13.811 608 1HG LYS 74 1HG LYS 74 -10.490 22.647 12.990 609 2HG LYS 74 2HG LYS 74 -10.804 20.947 12.705 610 1HD LYS 74 1HD LYS 74 -9.912 20.857 15.309 611 2HD LYS 74 2HD LYS 74 -10.657 22.442 15.285 612 1HE LYS 74 2HE LYS 74 -12.339 20.442 13.930 613 2HE LYS 74 3HE LYS 74 -11.986 19.971 15.580 614 1HZ LYS 74 1HZ LYS 74 -12.831 22.702 15.000 615 2HZ LYS 74 2HZ LYS 74 -13.942 21.513 15.127 616 3HZ LYS 74 3HZ LYS 74 -12.971 21.861 16.392 617 H LEU 75 H LEU 75 -6.092 22.055 12.964 618 HA LEU 75 HA LEU 75 -4.445 23.527 12.882 619 1HB LEU 75 1HB LEU 75 -4.844 23.064 10.321 620 2HB LEU 75 2HB LEU 75 -5.408 24.723 10.317 621 HG LEU 75 HG LEU 75 -3.142 24.796 9.675 622 1HD1 LEU 75 1HD1 LEU 75 -2.079 26.140 11.387 623 2HD1 LEU 75 2HD1 LEU 75 -3.817 26.519 11.308 624 3HD1 LEU 75 3HD1 LEU 75 -3.188 25.498 12.623 625 1HD2 LEU 75 1HD2 LEU 75 -2.094 23.419 12.111 626 2HD2 LEU 75 2HD2 LEU 75 -2.767 22.429 10.793 627 3HD2 LEU 75 3HD2 LEU 75 -1.411 23.535 10.471 628 H LYS 76 H LYS 76 -5.120 24.650 14.721 629 HA LYS 76 HA LYS 76 -7.185 26.586 14.589 630 1HB LYS 76 1HB LYS 76 -5.968 25.179 16.586 631 2HB LYS 76 2HB LYS 76 -5.212 26.746 16.789 632 1HG LYS 76 1HG LYS 76 -7.738 27.621 16.494 633 2HG LYS 76 2HG LYS 76 -8.126 25.997 17.025 634 1HD LYS 76 1HD LYS 76 -6.153 27.754 18.545 635 2HD LYS 76 2HD LYS 76 -7.876 27.821 18.856 636 1HE LYS 76 2HE LYS 76 -7.004 25.037 18.798 637 2HE LYS 76 3HE LYS 76 -5.993 25.946 19.904 638 1HZ LYS 76 1HZ LYS 76 -7.663 26.076 21.316 639 2HZ LYS 76 2HZ LYS 76 -8.696 26.668 20.199 640 3HZ LYS 76 3HZ LYS 76 -8.521 25.054 20.373 Start of MODEL 9 1 H MET 1 H MET 1 31.516 -20.150 10.716 2 HA MET 1 HA MET 1 30.228 -19.684 12.405 3 1HB MET 1 1HB MET 1 32.138 -17.385 12.232 4 2HB MET 1 2HB MET 1 30.720 -17.062 13.210 5 1HG MET 1 1HG MET 1 31.479 -18.386 14.902 6 2HG MET 1 2HG MET 1 31.779 -19.724 13.811 7 1HE MET 1 1HE MET 1 33.549 -20.469 15.125 8 2HE MET 1 2HE MET 1 34.462 -20.558 13.598 9 3HE MET 1 3HE MET 1 35.229 -19.886 15.057 10 H LEU 2 H LEU 2 28.147 -19.742 11.495 11 HA LEU 2 HA LEU 2 27.069 -17.724 9.917 12 1HB LEU 2 1HB LEU 2 26.359 -20.228 10.612 13 2HB LEU 2 2HB LEU 2 25.257 -19.323 11.631 14 HG LEU 2 HG LEU 2 24.632 -18.040 9.462 15 1HD1 LEU 2 1HD1 LEU 2 25.679 -20.565 8.166 16 2HD1 LEU 2 2HD1 LEU 2 24.978 -19.130 7.381 17 3HD1 LEU 2 3HD1 LEU 2 26.567 -19.022 8.175 18 1HD2 LEU 2 1HD2 LEU 2 22.757 -19.181 9.759 19 2HD2 LEU 2 2HD2 LEU 2 23.469 -20.599 8.952 20 3HD2 LEU 2 3HD2 LEU 2 23.646 -20.393 10.712 21 H LYS 3 H LYS 3 25.301 -16.192 10.462 22 HA LYS 3 HA LYS 3 25.141 -15.437 13.246 23 1HB LYS 3 1HB LYS 3 27.154 -14.278 11.838 24 2HB LYS 3 2HB LYS 3 25.851 -13.165 11.475 25 1HG LYS 3 1HG LYS 3 26.444 -12.209 13.475 26 2HG LYS 3 2HG LYS 3 25.438 -13.470 14.159 27 1HD LYS 3 1HD LYS 3 27.491 -14.951 14.324 28 2HD LYS 3 2HD LYS 3 28.464 -13.606 13.764 29 1HE LYS 3 2HE LYS 3 28.253 -12.430 15.760 30 2HE LYS 3 3HE LYS 3 26.641 -13.038 16.078 31 1HZ LYS 3 1HZ LYS 3 28.473 -15.152 16.110 32 2HZ LYS 3 2HZ LYS 3 28.997 -13.975 17.114 33 3HZ LYS 3 3HZ LYS 3 27.509 -14.618 17.315 34 H ASN 4 H ASN 4 23.739 -13.128 13.121 35 HA ASN 4 HA ASN 4 21.946 -12.951 11.021 36 1HB ASN 4 1HB ASN 4 21.299 -14.971 13.072 37 2HB ASN 4 2HB ASN 4 20.053 -13.741 12.980 38 1HD2 ASN 4 1HD2 ASN 4 20.608 -16.667 12.008 39 2HD2 ASN 4 2HD2 ASN 4 19.946 -16.700 10.408 40 H LEU 5 H LEU 5 20.464 -11.127 11.420 41 HA LEU 5 HA LEU 5 21.408 -9.237 13.216 42 1HB LEU 5 1HB LEU 5 19.671 -9.319 11.084 43 2HB LEU 5 2HB LEU 5 18.603 -8.946 12.423 44 HG LEU 5 HG LEU 5 20.805 -7.238 12.770 45 1HD1 LEU 5 1HD1 LEU 5 20.409 -6.104 10.343 46 2HD1 LEU 5 2HD1 LEU 5 21.775 -7.174 10.740 47 3HD1 LEU 5 3HD1 LEU 5 20.343 -7.829 9.910 48 1HD2 LEU 5 1HD2 LEU 5 18.015 -6.797 11.686 49 2HD2 LEU 5 2HD2 LEU 5 18.594 -6.596 13.359 50 3HD2 LEU 5 3HD2 LEU 5 19.138 -5.476 12.087 51 H ALA 6 H ALA 6 18.081 -10.672 13.371 52 HA ALA 6 HA ALA 6 18.254 -11.789 15.863 53 1HB ALA 6 1HB ALA 6 18.673 -9.942 17.137 54 2HB ALA 6 2HB ALA 6 18.042 -8.821 15.907 55 3HB ALA 6 3HB ALA 6 16.918 -9.697 16.974 56 H LYS 7 H LYS 7 15.751 -9.312 15.406 57 HA LYS 7 HA LYS 7 13.776 -11.354 15.162 58 1HB LYS 7 1HB LYS 7 12.253 -9.317 14.941 59 2HB LYS 7 2HB LYS 7 13.133 -9.504 16.444 60 1HG LYS 7 1HG LYS 7 14.633 -7.982 14.386 61 2HG LYS 7 2HG LYS 7 13.128 -7.218 14.855 62 1HD LYS 7 1HD LYS 7 14.983 -8.274 17.004 63 2HD LYS 7 2HD LYS 7 15.352 -6.747 16.230 64 1HE LYS 7 2HE LYS 7 13.357 -5.714 17.016 65 2HE LYS 7 3HE LYS 7 12.560 -7.246 17.307 66 1HZ LYS 7 1HZ LYS 7 14.770 -6.091 18.851 67 2HZ LYS 7 2HZ LYS 7 13.250 -6.397 19.366 68 3HZ LYS 7 3HZ LYS 7 14.268 -7.633 19.043 69 H LEU 8 H LEU 8 15.627 -9.268 12.977 70 HA LEU 8 HA LEU 8 15.506 -8.929 10.780 71 1HB LEU 8 1HB LEU 8 15.184 -11.897 11.099 72 2HB LEU 8 2HB LEU 8 15.241 -11.169 9.506 73 HG LEU 8 HG LEU 8 17.413 -10.601 11.513 74 1HD1 LEU 8 1HD1 LEU 8 16.766 -13.198 10.637 75 2HD1 LEU 8 2HD1 LEU 8 18.185 -12.692 9.687 76 3HD1 LEU 8 3HD1 LEU 8 18.245 -12.657 11.466 77 1HD2 LEU 8 1HD2 LEU 8 17.656 -9.192 9.690 78 2HD2 LEU 8 2HD2 LEU 8 18.717 -10.559 9.269 79 3HD2 LEU 8 3HD2 LEU 8 17.104 -10.422 8.529 80 H ASP 9 H ASP 9 13.498 -7.597 11.212 81 HA ASP 9 HA ASP 9 11.637 -8.148 9.269 82 1HB ASP 9 1HB ASP 9 10.946 -9.910 11.001 83 2HB ASP 9 2HB ASP 9 10.536 -8.592 12.082 84 H GLN 10 H GLN 10 13.161 -5.926 9.959 85 HA GLN 10 HA GLN 10 11.665 -4.219 11.682 86 1HB GLN 10 1HB GLN 10 14.239 -4.260 11.311 87 2HB GLN 10 2HB GLN 10 13.924 -3.375 9.832 88 1HG GLN 10 1HG GLN 10 12.472 -1.810 11.446 89 2HG GLN 10 2HG GLN 10 13.490 -2.501 12.693 90 1HE2 GLN 10 1HE2 GLN 10 14.924 -1.028 13.213 91 2HE2 GLN 10 2HE2 GLN 10 15.949 -0.143 12.132 92 H THR 11 H THR 11 11.446 -5.210 8.414 93 HA THR 11 HA THR 11 10.692 -2.798 7.174 94 HB THR 11 HB THR 11 10.189 -5.763 6.625 95 HG1 THR 11 1HG THR 11 12.040 -5.381 5.383 96 1HG2 THR 11 1HG2 THR 11 8.941 -5.249 4.774 97 2HG2 THR 11 2HG2 THR 11 8.721 -3.631 5.483 98 3HG2 THR 11 3HG2 THR 11 10.046 -3.925 4.331 99 H GLU 12 H GLU 12 8.774 -5.361 8.846 100 HA GLU 12 HA GLU 12 6.322 -4.218 8.263 101 1HB GLU 12 1HB GLU 12 6.877 -6.565 9.199 102 2HB GLU 12 2HB GLU 12 6.950 -5.809 10.778 103 1HG GLU 12 1HG GLU 12 4.592 -4.851 10.260 104 2HG GLU 12 2HG GLU 12 4.552 -5.964 8.906 105 H MET 13 H MET 13 8.868 -3.207 10.389 106 HA MET 13 HA MET 13 7.267 -1.953 12.325 107 1HB MET 13 1HB MET 13 10.016 -2.475 11.864 108 2HB MET 13 2HB MET 13 9.917 -0.726 11.828 109 1HG MET 13 1HG MET 13 8.300 -1.622 14.037 110 2HG MET 13 2HG MET 13 9.821 -2.485 14.127 111 1HE MET 13 1HE MET 13 8.420 1.033 13.168 112 2HE MET 13 2HE MET 13 7.994 0.759 14.873 113 3HE MET 13 3HE MET 13 9.153 2.038 14.440 114 H ASP 14 H ASP 14 8.595 -0.994 9.151 115 HA ASP 14 HA ASP 14 8.095 1.749 9.527 116 1HB ASP 14 1HB ASP 14 9.692 0.628 7.842 117 2HB ASP 14 2HB ASP 14 8.279 0.233 6.886 118 H LYS 15 H LYS 15 6.279 -1.104 8.430 119 HA LYS 15 HA LYS 15 4.201 0.421 7.172 120 1HB LYS 15 1HB LYS 15 4.914 -2.425 7.524 121 2HB LYS 15 2HB LYS 15 3.192 -2.100 7.499 122 1HG LYS 15 1HG LYS 15 4.149 -2.527 5.211 123 2HG LYS 15 2HG LYS 15 3.354 -0.972 5.343 124 1HD LYS 15 1HD LYS 15 5.309 -0.230 4.370 125 2HD LYS 15 2HD LYS 15 5.849 -0.183 6.037 126 1HE LYS 15 2HE LYS 15 7.195 -2.067 5.811 127 2HE LYS 15 3HE LYS 15 6.142 -2.817 4.628 128 1HZ LYS 15 1HZ LYS 15 7.005 -1.499 2.953 129 2HZ LYS 15 2HZ LYS 15 7.651 -0.399 3.972 130 3HZ LYS 15 3HZ LYS 15 8.328 -1.880 3.834 131 H VAL 16 H VAL 16 4.568 -1.527 10.210 132 HA VAL 16 HA VAL 16 2.063 -1.167 11.226 133 HB VAL 16 HB VAL 16 4.626 -2.022 12.107 134 1HG1 VAL 16 1HG1 VAL 16 3.248 -0.100 14.000 135 2HG1 VAL 16 2HG1 VAL 16 4.392 -1.350 14.546 136 3HG1 VAL 16 3HG1 VAL 16 4.934 -0.071 13.431 137 1HG2 VAL 16 1HG2 VAL 16 3.082 -3.647 12.416 138 2HG2 VAL 16 2HG2 VAL 16 2.908 -2.901 14.023 139 3HG2 VAL 16 3HG2 VAL 16 1.766 -2.488 12.722 140 H ASN 17 H ASN 17 4.583 1.208 10.688 141 HA ASN 17 HA ASN 17 3.609 3.036 12.612 142 1HB ASN 17 1HB ASN 17 5.899 3.340 11.996 143 2HB ASN 17 2HB ASN 17 5.562 3.163 10.285 144 1HD2 ASN 17 1HD2 ASN 17 4.469 4.839 9.163 145 2HD2 ASN 17 2HD2 ASN 17 4.544 6.485 9.697 146 H VAL 18 H VAL 18 3.766 3.088 8.960 147 HA VAL 18 HA VAL 18 2.029 5.211 8.612 148 HB VAL 18 HB VAL 18 2.618 2.841 6.828 149 1HG1 VAL 18 1HG1 VAL 18 1.599 5.574 5.999 150 2HG1 VAL 18 2HG1 VAL 18 1.822 4.133 4.978 151 3HG1 VAL 18 3HG1 VAL 18 0.550 4.153 6.222 152 1HG2 VAL 18 1HG2 VAL 18 4.691 3.826 7.190 153 2HG2 VAL 18 2HG2 VAL 18 4.119 4.684 5.739 154 3HG2 VAL 18 3HG2 VAL 18 4.007 5.462 7.335 155 H ASP 19 H ASP 19 1.426 1.973 9.706 156 HA ASP 19 HA ASP 19 -0.982 1.357 8.715 157 1HB ASP 19 1HB ASP 19 0.312 0.008 10.375 158 2HB ASP 19 2HB ASP 19 -0.100 1.157 11.634 159 H LEU 20 H LEU 20 -0.084 4.022 10.841 160 HA LEU 20 HA LEU 20 -2.882 4.536 11.511 161 1HB LEU 20 1HB LEU 20 -0.498 4.716 12.956 162 2HB LEU 20 2HB LEU 20 -0.931 6.379 12.611 163 HG LEU 20 HG LEU 20 -3.002 4.508 13.724 164 1HD1 LEU 20 1HD1 LEU 20 -1.496 4.066 15.382 165 2HD1 LEU 20 2HD1 LEU 20 -0.624 5.603 15.162 166 3HD1 LEU 20 3HD1 LEU 20 -2.193 5.581 16.004 167 1HD2 LEU 20 1HD2 LEU 20 -2.943 7.213 14.757 168 2HD2 LEU 20 2HD2 LEU 20 -2.977 7.204 12.978 169 3HD2 LEU 20 3HD2 LEU 20 -4.238 6.346 13.898 170 H ALA 21 H ALA 21 -0.179 5.591 9.501 171 HA ALA 21 HA ALA 21 -0.652 8.173 8.980 172 1HB ALA 21 1HB ALA 21 -0.150 5.952 6.956 173 2HB ALA 21 2HB ALA 21 0.136 7.686 6.675 174 3HB ALA 21 3HB ALA 21 1.087 6.815 7.902 175 H ALA 22 H ALA 22 -2.232 5.558 7.004 176 HA ALA 22 HA ALA 22 -4.716 7.065 7.127 177 1HB ALA 22 1HB ALA 22 -4.129 8.058 5.151 178 2HB ALA 22 2HB ALA 22 -2.953 6.789 4.737 179 3HB ALA 22 3HB ALA 22 -4.691 6.511 4.474 180 H ALA 23 H ALA 23 -6.294 5.622 5.457 181 HA ALA 23 HA ALA 23 -6.004 2.912 6.544 182 1HB ALA 23 1HB ALA 23 -8.314 4.732 5.940 183 2HB ALA 23 2HB ALA 23 -8.560 2.976 5.779 184 3HB ALA 23 3HB ALA 23 -8.041 3.663 7.337 185 H GLY 24 H GLY 24 -7.711 1.529 4.835 186 1HA GLY 24 1HA GLY 24 -6.446 1.894 2.185 187 2HA GLY 24 2HA GLY 24 -6.586 0.327 2.958 188 H VAL 25 H VAL 25 -8.843 3.156 2.551 189 HA VAL 25 HA VAL 25 -10.780 1.241 1.446 190 HB VAL 25 HB VAL 25 -11.713 3.772 2.671 191 1HG1 VAL 25 1HG1 VAL 25 -13.083 1.816 1.638 192 2HG1 VAL 25 2HG1 VAL 25 -12.760 0.993 3.183 193 3HG1 VAL 25 3HG1 VAL 25 -13.632 2.545 3.167 194 1HG2 VAL 25 1HG2 VAL 25 -10.569 1.497 4.320 195 2HG2 VAL 25 2HG2 VAL 25 -10.057 3.201 4.321 196 3HG2 VAL 25 3HG2 VAL 25 -11.657 2.752 4.962 197 H ALA 26 H ALA 26 -8.956 4.224 1.095 198 HA ALA 26 HA ALA 26 -10.579 5.440 -0.853 199 1HB ALA 26 1HB ALA 26 -8.411 6.677 -1.354 200 2HB ALA 26 2HB ALA 26 -8.953 6.738 0.341 201 3HB ALA 26 3HB ALA 26 -7.634 5.642 -0.132 202 H PHE 27 H PHE 27 -7.406 3.699 -1.247 203 HA PHE 27 HA PHE 27 -8.245 3.094 -3.981 204 1HB PHE 27 1HB PHE 27 -5.509 2.539 -2.776 205 2HB PHE 27 2HB PHE 27 -5.888 3.025 -4.416 206 HD1 PHE 27 1HD PHE 27 -6.228 5.372 -4.971 207 HD2 PHE 27 2HD PHE 27 -5.284 4.190 -1.007 208 HE1 PHE 27 1HE PHE 27 -5.659 7.748 -4.399 209 HE2 PHE 27 2HE PHE 27 -4.714 6.567 -0.434 210 HZ PHE 27 HZ PHE 27 -4.908 8.318 -2.137 211 H LYS 28 H LYS 28 -9.294 1.158 -4.143 212 HA LYS 28 HA LYS 28 -8.250 -1.231 -4.040 213 1HB LYS 28 1HB LYS 28 -7.353 -1.201 -1.886 214 2HB LYS 28 2HB LYS 28 -8.752 -0.408 -1.191 215 1HG LYS 28 1HG LYS 28 -8.994 -2.657 -0.484 216 2HG LYS 28 2HG LYS 28 -10.085 -2.545 -1.852 217 1HD LYS 28 1HD LYS 28 -7.472 -3.227 -2.871 218 2HD LYS 28 2HD LYS 28 -7.809 -4.289 -1.517 219 1HE LYS 28 2HE LYS 28 -8.996 -5.532 -3.020 220 2HE LYS 28 3HE LYS 28 -10.245 -4.318 -2.832 221 1HZ LYS 28 1HZ LYS 28 -8.646 -4.849 -5.071 222 2HZ LYS 28 2HZ LYS 28 -9.953 -3.877 -4.955 223 3HZ LYS 28 3HZ LYS 28 -8.465 -3.287 -4.633 224 H GLU 29 H GLU 29 -10.912 0.902 -3.290 225 HA GLU 29 HA GLU 29 -12.988 -0.786 -2.980 226 1HB GLU 29 1HB GLU 29 -14.185 1.095 -4.507 227 2HB GLU 29 2HB GLU 29 -13.699 1.393 -2.851 228 1HG GLU 29 1HG GLU 29 -12.902 3.221 -4.294 229 2HG GLU 29 2HG GLU 29 -11.533 2.342 -3.642 230 H ARG 30 H ARG 30 -10.858 -0.598 -5.686 231 HA ARG 30 HA ARG 30 -12.338 -1.032 -7.847 232 1HB ARG 30 1HB ARG 30 -9.700 -1.185 -7.353 233 2HB ARG 30 2HB ARG 30 -10.010 -2.910 -7.379 234 1HG ARG 30 1HG ARG 30 -11.391 -1.792 -9.634 235 2HG ARG 30 2HG ARG 30 -9.791 -1.075 -9.617 236 1HD ARG 30 1HD ARG 30 -8.795 -3.393 -9.412 237 2HD ARG 30 2HD ARG 30 -10.406 -4.069 -9.535 238 HE ARG 30 HE ARG 30 -9.791 -2.239 -11.730 239 1HH1 ARG 30 1HH1 ARG 30 -9.346 -4.822 -14.033 240 2HH1 ARG 30 2HH1 ARG 30 -9.562 -3.116 -13.827 241 1HH2 ARG 30 1HH2 ARG 30 -9.289 -6.217 -12.179 242 2HH2 ARG 30 2HH2 ARG 30 -9.464 -5.552 -10.590 243 H TYR 31 H TYR 31 -12.041 -3.128 -5.038 244 HA TYR 31 HA TYR 31 -13.077 -5.447 -6.430 245 1HB TYR 31 1HB TYR 31 -12.303 -6.496 -4.464 246 2HB TYR 31 2HB TYR 31 -11.381 -5.014 -4.308 247 HD1 TYR 31 1HD TYR 31 -11.962 -3.337 -2.638 248 HD2 TYR 31 2HD TYR 31 -14.304 -6.890 -3.079 249 HE1 TYR 31 1HE TYR 31 -13.087 -2.880 -0.406 250 HE2 TYR 31 2HE TYR 31 -15.423 -6.421 -0.845 251 HH TYR 31 HH TYR 31 -14.841 -3.412 0.865 252 H ASN 32 H ASN 32 -14.624 -2.779 -6.070 253 HA ASN 32 HA ASN 32 -16.707 -2.222 -5.820 254 1HB ASN 32 1HB ASN 32 -17.439 -4.309 -6.843 255 2HB ASN 32 2HB ASN 32 -17.099 -5.221 -5.385 256 1HD2 ASN 32 1HD2 ASN 32 -19.052 -6.000 -4.913 257 2HD2 ASN 32 2HD2 ASN 32 -20.457 -5.059 -4.540 258 H MET 33 H MET 33 -15.448 -1.355 -3.741 259 HA MET 33 HA MET 33 -16.081 -2.685 -1.315 260 1HB MET 33 1HB MET 33 -14.067 -1.470 -1.160 261 2HB MET 33 2HB MET 33 -14.644 -0.182 -2.200 262 1HG MET 33 1HG MET 33 -16.003 -0.529 0.471 263 2HG MET 33 2HG MET 33 -14.386 0.148 0.466 264 1HE MET 33 1HE MET 33 -15.210 3.702 0.148 265 2HE MET 33 2HE MET 33 -14.954 2.416 1.352 266 3HE MET 33 3HE MET 33 -13.856 2.562 -0.041 267 HA PRO 34 HA PRO 34 -19.926 -0.713 -0.733 268 1HB PRO 34 1HB PRO 34 -20.459 -1.588 1.800 269 2HB PRO 34 2HB PRO 34 -20.778 -2.547 0.368 270 1HG PRO 34 1HG PRO 34 -18.604 -2.841 2.350 271 2HG PRO 34 2HG PRO 34 -19.189 -4.008 1.180 272 1HD PRO 34 1HD PRO 34 -16.790 -2.446 0.994 273 2HD PRO 34 2HD PRO 34 -17.435 -3.526 -0.226 274 H VAL 35 H VAL 35 -21.149 0.663 1.003 275 HA VAL 35 HA VAL 35 -19.420 2.882 1.406 276 HB VAL 35 HB VAL 35 -22.255 2.299 2.283 277 1HG1 VAL 35 1HG1 VAL 35 -20.454 4.548 2.864 278 2HG1 VAL 35 2HG1 VAL 35 -22.004 5.040 2.144 279 3HG1 VAL 35 3HG1 VAL 35 -21.985 4.073 3.637 280 1HG2 VAL 35 1HG2 VAL 35 -21.326 4.089 0.025 281 2HG2 VAL 35 2HG2 VAL 35 -21.732 2.372 -0.206 282 3HG2 VAL 35 3HG2 VAL 35 -22.973 3.510 0.371 283 H ILE 36 H ILE 36 -18.125 0.822 2.653 284 HA ILE 36 HA ILE 36 -18.261 1.705 5.410 285 HB ILE 36 HB ILE 36 -18.760 -1.125 4.524 286 1HG1 ILE 36 1HG1 ILE 36 -20.171 0.597 6.580 287 2HG1 ILE 36 2HG1 ILE 36 -20.672 0.463 4.907 288 1HG2 ILE 36 1HG2 ILE 36 -16.916 -1.223 6.109 289 2HG2 ILE 36 2HG2 ILE 36 -17.822 -0.210 7.258 290 3HG2 ILE 36 3HG2 ILE 36 -18.413 -1.839 6.848 291 1HD1 ILE 36 1HD1 ILE 36 -20.459 -1.837 6.904 292 2HD1 ILE 36 2HD1 ILE 36 -21.960 -1.113 6.280 293 3HD1 ILE 36 3HD1 ILE 36 -20.889 -2.024 5.187 294 H ALA 37 H ALA 37 -16.299 0.824 6.651 295 HA ALA 37 HA ALA 37 -14.048 0.777 4.770 296 1HB ALA 37 1HB ALA 37 -12.801 1.466 6.940 297 2HB ALA 37 2HB ALA 37 -13.855 2.672 6.163 298 3HB ALA 37 3HB ALA 37 -14.423 1.788 7.599 299 H GLU 38 H GLU 38 -15.657 -0.853 7.513 300 HA GLU 38 HA GLU 38 -13.593 -2.619 8.079 301 1HB GLU 38 1HB GLU 38 -15.713 -2.090 9.446 302 2HB GLU 38 2HB GLU 38 -16.562 -3.208 8.397 303 1HG GLU 38 1HG GLU 38 -14.611 -4.884 9.007 304 2HG GLU 38 2HG GLU 38 -14.310 -3.794 10.346 305 H ALA 39 H ALA 39 -15.720 -2.368 5.357 306 HA ALA 39 HA ALA 39 -15.679 -5.168 4.710 307 1HB ALA 39 1HB ALA 39 -16.695 -4.234 2.543 308 2HB ALA 39 2HB ALA 39 -17.615 -3.953 4.041 309 3HB ALA 39 3HB ALA 39 -16.642 -2.640 3.333 310 H VAL 40 H VAL 40 -13.680 -2.314 4.213 311 HA VAL 40 HA VAL 40 -12.368 -3.265 1.883 312 HB VAL 40 HB VAL 40 -12.416 -0.943 3.544 313 1HG1 VAL 40 1HG1 VAL 40 -10.292 -1.910 4.478 314 2HG1 VAL 40 2HG1 VAL 40 -9.594 -1.811 2.843 315 3HG1 VAL 40 3HG1 VAL 40 -10.098 -0.327 3.687 316 1HG2 VAL 40 1HG2 VAL 40 -12.343 0.008 1.523 317 2HG2 VAL 40 2HG2 VAL 40 -10.755 -0.715 1.169 318 3HG2 VAL 40 3HG2 VAL 40 -12.245 -1.629 0.832 319 H GLU 41 H GLU 41 -11.817 -3.489 5.429 320 HA GLU 41 HA GLU 41 -9.347 -4.869 4.976 321 1HB GLU 41 1HB GLU 41 -10.654 -3.507 7.193 322 2HB GLU 41 2HB GLU 41 -10.120 -5.095 7.707 323 1HG GLU 41 1HG GLU 41 -7.829 -4.638 6.946 324 2HG GLU 41 2HG GLU 41 -8.325 -3.122 6.219 325 H ARG 42 H ARG 42 -12.739 -5.564 5.891 326 HA ARG 42 HA ARG 42 -12.280 -8.179 6.704 327 1HB ARG 42 1HB ARG 42 -14.361 -7.162 7.337 328 2HB ARG 42 2HB ARG 42 -14.724 -6.674 5.693 329 1HG ARG 42 1HG ARG 42 -15.524 -8.763 5.094 330 2HG ARG 42 2HG ARG 42 -14.379 -9.617 6.109 331 1HD ARG 42 1HD ARG 42 -15.690 -9.285 8.083 332 2HD ARG 42 2HD ARG 42 -16.616 -7.984 7.362 333 HE ARG 42 HE ARG 42 -17.137 -10.836 7.092 334 1HH1 ARG 42 1HH1 ARG 42 -19.686 -10.393 4.749 335 2HH1 ARG 42 2HH1 ARG 42 -18.933 -11.503 5.845 336 1HH2 ARG 42 1HH2 ARG 42 -18.871 -8.230 4.546 337 2HH2 ARG 42 2HH2 ARG 42 -17.510 -7.724 5.490 338 H GLU 43 H GLU 43 -12.525 -6.625 3.552 339 HA GLU 43 HA GLU 43 -12.918 -9.190 2.266 340 1HB GLU 43 1HB GLU 43 -12.928 -6.336 1.198 341 2HB GLU 43 2HB GLU 43 -13.072 -7.744 0.166 342 1HG GLU 43 1HG GLU 43 -14.924 -7.623 2.527 343 2HG GLU 43 2HG GLU 43 -15.224 -6.471 1.241 344 H GLN 44 H GLN 44 -10.914 -6.306 1.346 345 HA GLN 44 HA GLN 44 -8.535 -7.867 1.594 346 1HB GLN 44 1HB GLN 44 -9.849 -8.027 -0.848 347 2HB GLN 44 2HB GLN 44 -8.716 -6.722 -1.133 348 1HG GLN 44 1HG GLN 44 -7.010 -8.201 -1.321 349 2HG GLN 44 2HG GLN 44 -7.310 -8.790 0.301 350 1HE2 GLN 44 1HE2 GLN 44 -8.517 -10.614 0.650 351 2HE2 GLN 44 2HE2 GLN 44 -8.979 -11.721 -0.599 352 HA PRO 45 HA PRO 45 -7.700 -3.598 2.443 353 1HB PRO 45 1HB PRO 45 -5.659 -4.027 4.210 354 2HB PRO 45 2HB PRO 45 -7.343 -3.945 4.691 355 1HG PRO 45 1HG PRO 45 -5.602 -6.320 4.435 356 2HG PRO 45 2HG PRO 45 -7.117 -6.157 5.301 357 1HD PRO 45 1HD PRO 45 -6.717 -7.438 2.765 358 2HD PRO 45 2HD PRO 45 -8.249 -7.174 3.576 359 H GLU 46 H GLU 46 -6.571 -2.161 1.278 360 HA GLU 46 HA GLU 46 -4.841 -3.154 -0.622 361 1HB GLU 46 1HB GLU 46 -6.134 -0.834 -0.348 362 2HB GLU 46 2HB GLU 46 -4.608 -0.298 0.326 363 1HG GLU 46 1HG GLU 46 -4.111 -1.837 -2.099 364 2HG GLU 46 2HG GLU 46 -5.289 -0.583 -2.434 365 H HIS 47 H HIS 47 -4.110 -1.295 2.420 366 HA HIS 47 HA HIS 47 -1.433 -1.177 2.270 367 1HB HIS 47 1HB HIS 47 -1.405 -0.901 4.605 368 2HB HIS 47 2HB HIS 47 -2.965 -0.303 4.076 369 HD1 HIS 47 1HD HIS 47 -5.089 -1.775 4.665 370 HD2 HIS 47 2HD HIS 47 -1.476 -3.118 6.321 371 HE1 HIS 47 1HE HIS 47 -5.715 -3.462 6.474 372 H LEU 48 H LEU 48 -3.399 -4.017 3.339 373 HA LEU 48 HA LEU 48 -1.408 -5.672 4.169 374 1HB LEU 48 1HB LEU 48 -4.135 -5.895 3.248 375 2HB LEU 48 2HB LEU 48 -3.195 -7.270 2.701 376 HG LEU 48 HG LEU 48 -4.248 -7.805 4.794 377 1HD1 LEU 48 1HD1 LEU 48 -1.285 -7.339 5.232 378 2HD1 LEU 48 2HD1 LEU 48 -2.321 -8.474 6.130 379 3HD1 LEU 48 3HD1 LEU 48 -2.013 -8.732 4.396 380 1HD2 LEU 48 1HD2 LEU 48 -2.744 -5.655 6.255 381 2HD2 LEU 48 2HD2 LEU 48 -4.305 -5.295 5.481 382 3HD2 LEU 48 3HD2 LEU 48 -4.203 -6.552 6.737 383 H ARG 49 H ARG 49 -2.120 -4.533 0.899 384 HA ARG 49 HA ARG 49 -0.905 -6.515 -0.534 385 1HB ARG 49 1HB ARG 49 -0.899 -4.967 -2.352 386 2HB ARG 49 2HB ARG 49 -2.222 -4.421 -1.341 387 1HG ARG 49 1HG ARG 49 -0.506 -2.841 -0.205 388 2HG ARG 49 2HG ARG 49 0.582 -3.242 -1.520 389 1HD ARG 49 1HD ARG 49 -2.152 -1.903 -1.737 390 2HD ARG 49 2HD ARG 49 -0.597 -1.197 -2.125 391 HE ARG 49 HE ARG 49 -1.291 -3.631 -3.649 392 1HH1 ARG 49 1HH1 ARG 49 -1.517 -1.829 -6.629 393 2HH1 ARG 49 2HH1 ARG 49 -1.469 -3.407 -5.916 394 1HH2 ARG 49 1HH2 ARG 49 -1.399 0.057 -5.281 395 2HH2 ARG 49 2HH2 ARG 49 -1.264 -0.114 -3.562 396 H SER 50 H SER 50 0.468 -3.632 1.138 397 HA SER 50 HA SER 50 3.111 -4.483 0.294 398 1HB SER 50 1HB SER 50 3.646 -2.189 1.565 399 2HB SER 50 2HB SER 50 3.075 -2.206 -0.091 400 HG SER 50 HG SER 50 0.991 -1.664 0.576 401 H TRP 51 H TRP 51 0.918 -4.208 3.062 402 HA TRP 51 HA TRP 51 2.888 -4.410 5.080 403 1HB TRP 51 1HB TRP 51 -0.065 -4.529 4.894 404 2HB TRP 51 2HB TRP 51 0.655 -5.365 6.256 405 HD1 TRP 51 HD TRP 51 0.760 -3.800 8.334 406 HE1 TRP 51 1HE TRP 51 1.090 -1.240 8.881 407 HE3 TRP 51 3HE TRP 51 1.270 -2.295 3.504 408 HZ2 TRP 51 2HZ TRP 51 1.519 1.075 7.269 409 HZ3 TRP 51 3HZ TRP 51 1.641 0.133 3.078 410 HH2 TRP 51 HH TRP 51 1.768 1.795 4.865 411 H PHE 52 H PHE 52 1.171 -6.659 2.929 412 HA PHE 52 HA PHE 52 2.144 -8.935 4.454 413 1HB PHE 52 1HB PHE 52 -0.225 -8.604 3.375 414 2HB PHE 52 2HB PHE 52 0.565 -8.794 1.823 415 HD1 PHE 52 1HD PHE 52 0.979 -10.931 0.950 416 HD2 PHE 52 2HD PHE 52 -0.053 -10.528 5.046 417 HE1 PHE 52 1HE PHE 52 0.745 -13.423 1.136 418 HE2 PHE 52 2HE PHE 52 -0.288 -13.020 5.231 419 HZ PHE 52 HZ PHE 52 0.113 -14.438 3.274 420 H ARG 53 H ARG 53 2.451 -7.363 1.216 421 HA ARG 53 HA ARG 53 4.381 -9.333 0.452 422 1HB ARG 53 1HB ARG 53 2.579 -7.943 -1.009 423 2HB ARG 53 2HB ARG 53 3.912 -6.815 -1.149 424 1HG ARG 53 1HG ARG 53 5.381 -8.701 -1.963 425 2HG ARG 53 2HG ARG 53 4.000 -9.778 -1.892 426 1HD ARG 53 1HD ARG 53 3.373 -9.101 -3.965 427 2HD ARG 53 2HD ARG 53 3.141 -7.473 -3.362 428 HE ARG 53 HE ARG 53 5.272 -6.856 -4.193 429 1HH1 ARG 53 1HH1 ARG 53 7.471 -8.750 -6.129 430 2HH1 ARG 53 2HH1 ARG 53 7.081 -7.163 -5.555 431 1HH2 ARG 53 1HH2 ARG 53 6.158 -10.562 -5.516 432 2HH2 ARG 53 2HH2 ARG 53 4.786 -10.328 -4.483 433 H GLU 54 H GLU 54 4.489 -6.777 2.522 434 HA GLU 54 HA GLU 54 6.250 -4.965 1.904 435 1HB GLU 54 1HB GLU 54 6.741 -4.763 4.177 436 2HB GLU 54 2HB GLU 54 5.274 -5.720 4.232 437 1HG GLU 54 1HG GLU 54 8.070 -6.948 4.225 438 2HG GLU 54 2HG GLU 54 7.189 -6.575 5.694 439 H ARG 55 H ARG 55 7.024 -8.440 2.323 440 HA ARG 55 HA ARG 55 9.648 -8.479 2.548 441 1HB ARG 55 1HB ARG 55 7.656 -10.164 1.120 442 2HB ARG 55 2HB ARG 55 9.290 -10.370 0.521 443 1HG ARG 55 1HG ARG 55 9.905 -10.511 3.115 444 2HG ARG 55 2HG ARG 55 8.207 -10.906 3.296 445 1HD ARG 55 1HD ARG 55 8.424 -12.818 1.769 446 2HD ARG 55 2HD ARG 55 10.066 -12.366 1.360 447 HE ARG 55 HE ARG 55 10.050 -12.645 4.157 448 1HH1 ARG 55 1HH1 ARG 55 10.604 -16.083 4.386 449 2HH1 ARG 55 2HH1 ARG 55 10.680 -14.567 5.221 450 1HH2 ARG 55 1HH2 ARG 55 9.865 -16.162 2.187 451 2HH2 ARG 55 2HH2 ARG 55 9.388 -14.704 1.382 452 H LEU 56 H LEU 56 7.800 -7.648 -0.427 453 HA LEU 56 HA LEU 56 10.294 -6.610 -1.555 454 1HB LEU 56 1HB LEU 56 9.128 -8.926 -2.448 455 2HB LEU 56 2HB LEU 56 8.411 -7.730 -3.508 456 HG LEU 56 HG LEU 56 10.777 -6.920 -3.999 457 1HD1 LEU 56 1HD1 LEU 56 11.367 -9.259 -2.248 458 2HD1 LEU 56 2HD1 LEU 56 12.410 -8.993 -3.665 459 3HD1 LEU 56 3HD1 LEU 56 12.231 -7.715 -2.439 460 1HD2 LEU 56 1HD2 LEU 56 10.051 -9.743 -4.829 461 2HD2 LEU 56 2HD2 LEU 56 9.438 -8.245 -5.571 462 3HD2 LEU 56 3HD2 LEU 56 11.169 -8.645 -5.672 463 H ILE 57 H ILE 57 9.620 -4.531 -0.778 464 HA ILE 57 HA ILE 57 7.123 -3.436 -1.165 465 HB ILE 57 HB ILE 57 8.854 -2.520 0.282 466 1HG1 ILE 57 1HG1 ILE 57 8.587 -0.101 -1.197 467 2HG1 ILE 57 2HG1 ILE 57 7.134 -1.039 -1.476 468 1HG2 ILE 57 1HG2 ILE 57 10.815 -1.503 -0.436 469 2HG2 ILE 57 2HG2 ILE 57 10.695 -2.935 -1.487 470 3HG2 ILE 57 3HG2 ILE 57 10.238 -1.332 -2.111 471 1HD1 ILE 57 1HD1 ILE 57 6.754 -1.292 0.932 472 2HD1 ILE 57 2HD1 ILE 57 8.312 -0.509 1.290 473 3HD1 ILE 57 3HD1 ILE 57 6.989 0.433 0.560 474 H ALA 58 H ALA 58 9.838 -3.889 -3.428 475 HA ALA 58 HA ALA 58 9.306 -2.135 -5.397 476 1HB ALA 58 1HB ALA 58 9.786 -5.048 -6.044 477 2HB ALA 58 2HB ALA 58 10.482 -3.597 -6.805 478 3HB ALA 58 3HB ALA 58 11.021 -4.098 -5.184 479 H HIS 59 H HIS 59 8.008 -2.159 -7.362 480 HA HIS 59 HA HIS 59 6.149 -2.398 -8.500 481 1HB HIS 59 1HB HIS 59 6.355 -5.102 -7.236 482 2HB HIS 59 2HB HIS 59 4.855 -4.678 -8.036 483 HD1 HIS 59 1HD HIS 59 8.586 -4.971 -8.788 484 HD2 HIS 59 2HD HIS 59 4.902 -4.882 -10.791 485 HE1 HIS 59 1HE HIS 59 9.086 -5.525 -11.228 486 H ARG 60 H ARG 60 5.103 -0.613 -7.552 487 HA ARG 60 HA ARG 60 2.891 -1.383 -5.912 488 1HB ARG 60 1HB ARG 60 5.147 0.384 -4.938 489 2HB ARG 60 2HB ARG 60 3.516 0.768 -4.423 490 1HG ARG 60 1HG ARG 60 3.227 -1.512 -3.503 491 2HG ARG 60 2HG ARG 60 4.804 -1.984 -4.105 492 1HD ARG 60 1HD ARG 60 5.199 -1.461 -1.816 493 2HD ARG 60 2HD ARG 60 5.766 -0.041 -2.673 494 HE ARG 60 HE ARG 60 3.363 -0.225 -0.973 495 1HH1 ARG 60 1HH1 ARG 60 2.695 3.181 -1.332 496 2HH1 ARG 60 2HH1 ARG 60 2.299 1.732 -0.469 497 1HH2 ARG 60 1HH2 ARG 60 4.306 3.132 -3.002 498 2HH2 ARG 60 2HH2 ARG 60 5.112 1.647 -3.385 499 H LEU 61 H LEU 61 1.260 -0.549 -7.192 500 HA LEU 61 HA LEU 61 0.965 2.210 -7.503 501 1HB LEU 61 1HB LEU 61 2.836 1.781 -9.136 502 2HB LEU 61 2HB LEU 61 1.710 0.821 -10.075 503 HG LEU 61 HG LEU 61 0.751 3.537 -9.413 504 1HD1 LEU 61 1HD1 LEU 61 3.385 3.508 -9.989 505 2HD1 LEU 61 2HD1 LEU 61 2.710 3.544 -11.636 506 3HD1 LEU 61 3HD1 LEU 61 2.279 4.817 -10.469 507 1HD2 LEU 61 1HD2 LEU 61 0.956 2.286 -12.142 508 2HD2 LEU 61 2HD2 LEU 61 -0.271 1.745 -10.972 509 3HD2 LEU 61 3HD2 LEU 61 -0.243 3.441 -11.511 510 H ALA 62 H ALA 62 -1.141 2.727 -8.289 511 HA ALA 62 HA ALA 62 -2.791 0.907 -9.598 512 1HB ALA 62 1HB ALA 62 -3.716 -0.378 -7.991 513 2HB ALA 62 2HB ALA 62 -2.371 0.140 -6.947 514 3HB ALA 62 3HB ALA 62 -3.922 1.011 -6.896 515 H SER 63 H SER 63 -3.469 2.932 -6.669 516 HA SER 63 HA SER 63 -4.702 4.699 -6.399 517 1HB SER 63 1HB SER 63 -2.997 6.010 -7.378 518 2HB SER 63 2HB SER 63 -3.280 5.366 -8.982 519 HG SER 63 HG SER 63 -4.093 7.646 -8.381 520 H VAL 64 H VAL 64 -6.857 4.042 -6.380 521 HA VAL 64 HA VAL 64 -8.186 3.943 -9.000 522 HB VAL 64 HB VAL 64 -9.042 2.601 -6.432 523 1HG1 VAL 64 1HG1 VAL 64 -9.932 2.322 -9.320 524 2HG1 VAL 64 2HG1 VAL 64 -10.415 1.218 -8.011 525 3HG1 VAL 64 3HG1 VAL 64 -10.884 2.934 -7.945 526 1HG2 VAL 64 1HG2 VAL 64 -6.829 1.912 -8.044 527 2HG2 VAL 64 2HG2 VAL 64 -7.596 0.936 -6.767 528 3HG2 VAL 64 3HG2 VAL 64 -8.121 0.759 -8.459 529 H ASN 65 H ASN 65 -7.701 5.757 -6.165 530 HA ASN 65 HA ASN 65 -10.394 6.723 -6.035 531 1HB ASN 65 1HB ASN 65 -8.337 6.539 -4.190 532 2HB ASN 65 2HB ASN 65 -8.206 8.225 -4.648 533 1HD2 ASN 65 1HD2 ASN 65 -10.713 5.800 -3.919 534 2HD2 ASN 65 2HD2 ASN 65 -11.717 6.811 -2.934 535 H LEU 66 H LEU 66 -7.117 8.313 -6.331 536 HA LEU 66 HA LEU 66 -7.628 9.601 -8.735 537 1HB LEU 66 1HB LEU 66 -9.264 10.695 -6.909 538 2HB LEU 66 2HB LEU 66 -7.837 11.670 -6.620 539 HG LEU 66 HG LEU 66 -9.288 12.803 -8.170 540 1HD1 LEU 66 1HD1 LEU 66 -7.757 13.233 -9.995 541 2HD1 LEU 66 2HD1 LEU 66 -6.848 13.025 -8.480 542 3HD1 LEU 66 3HD1 LEU 66 -6.896 11.709 -9.676 543 1HD2 LEU 66 1HD2 LEU 66 -9.206 11.313 -10.547 544 2HD2 LEU 66 2HD2 LEU 66 -9.657 10.157 -9.269 545 3HD2 LEU 66 3HD2 LEU 66 -10.618 11.636 -9.510 546 H SER 67 H SER 67 -6.293 10.837 -5.593 547 HA SER 67 HA SER 67 -4.287 11.465 -5.039 548 1HB SER 67 1HB SER 67 -3.547 9.038 -6.725 549 2HB SER 67 2HB SER 67 -2.370 9.914 -5.764 550 HG SER 67 HG SER 67 -3.606 7.944 -4.818 551 H ARG 68 H ARG 68 -3.887 13.502 -5.902 552 HA ARG 68 HA ARG 68 -2.136 13.594 -8.115 553 1HB ARG 68 1HB ARG 68 -4.832 13.678 -8.803 554 2HB ARG 68 2HB ARG 68 -4.457 15.383 -8.650 555 1HG ARG 68 1HG ARG 68 -2.419 13.783 -10.132 556 2HG ARG 68 2HG ARG 68 -3.983 13.884 -10.915 557 1HD ARG 68 1HD ARG 68 -3.267 16.513 -9.895 558 2HD ARG 68 2HD ARG 68 -1.931 15.884 -10.838 559 HE ARG 68 HE ARG 68 -4.553 16.670 -11.849 560 1HH1 ARG 68 1HH1 ARG 68 -3.862 15.612 -15.101 561 2HH1 ARG 68 2HH1 ARG 68 -4.928 16.537 -14.099 562 1HH2 ARG 68 1HH2 ARG 68 -2.052 14.505 -14.158 563 2HH2 ARG 68 2HH2 ARG 68 -1.768 14.607 -12.452 564 H LEU 69 H LEU 69 -1.756 16.125 -8.672 565 HA LEU 69 HA LEU 69 -1.251 18.166 -7.976 566 1HB LEU 69 1HB LEU 69 -3.687 17.791 -6.859 567 2HB LEU 69 2HB LEU 69 -2.726 18.055 -5.418 568 HG LEU 69 HG LEU 69 -1.987 20.067 -7.294 569 1HD1 LEU 69 1HD1 LEU 69 -4.955 19.566 -7.140 570 2HD1 LEU 69 2HD1 LEU 69 -4.291 21.192 -7.428 571 3HD1 LEU 69 3HD1 LEU 69 -3.938 19.872 -8.568 572 1HD2 LEU 69 1HD2 LEU 69 -1.885 20.230 -4.846 573 2HD2 LEU 69 2HD2 LEU 69 -2.788 21.583 -5.568 574 3HD2 LEU 69 3HD2 LEU 69 -3.663 20.250 -4.776 575 HA PRO 70 HA PRO 70 1.781 16.217 -5.249 576 1HB PRO 70 1HB PRO 70 3.949 16.435 -6.898 577 2HB PRO 70 2HB PRO 70 2.954 14.994 -6.808 578 1HG PRO 70 1HG PRO 70 3.037 17.059 -8.921 579 2HG PRO 70 2HG PRO 70 2.389 15.434 -9.000 580 1HD PRO 70 1HD PRO 70 0.892 17.868 -8.756 581 2HD PRO 70 2HD PRO 70 0.253 16.236 -8.718 582 H TYR 71 H TYR 71 4.165 17.098 -4.687 583 HA TYR 71 HA TYR 71 3.853 19.378 -3.337 584 1HB TYR 71 1HB TYR 71 6.221 18.413 -5.057 585 2HB TYR 71 2HB TYR 71 6.393 19.620 -3.798 586 HD1 TYR 71 1HD TYR 71 5.872 18.955 -1.388 587 HD2 TYR 71 2HD TYR 71 6.279 16.098 -4.546 588 HE1 TYR 71 1HE TYR 71 6.253 17.110 0.321 589 HE2 TYR 71 2HE TYR 71 6.658 14.263 -2.827 590 HH TYR 71 HH TYR 71 7.429 14.884 0.331 591 H GLU 72 H GLU 72 4.396 21.644 -3.640 592 HA GLU 72 HA GLU 72 3.530 22.537 -6.202 593 1HB GLU 72 1HB GLU 72 2.759 23.634 -4.119 594 2HB GLU 72 2HB GLU 72 4.406 24.079 -3.720 595 1HG GLU 72 1HG GLU 72 4.392 25.228 -6.114 596 2HG GLU 72 2HG GLU 72 2.649 25.142 -5.950 597 HA PRO 73 HA PRO 73 7.609 23.015 -7.698 598 1HB PRO 73 1HB PRO 73 6.993 24.012 -10.167 599 2HB PRO 73 2HB PRO 73 7.005 22.298 -9.803 600 1HG PRO 73 1HG PRO 73 4.689 24.099 -10.164 601 2HG PRO 73 2HG PRO 73 4.738 22.349 -10.223 602 1HD PRO 73 1HD PRO 73 3.765 23.967 -8.063 603 2HD PRO 73 2HD PRO 73 3.922 22.221 -8.078 604 H LYS 74 H LYS 74 8.822 24.848 -9.147 605 HA LYS 74 HA LYS 74 8.110 27.439 -8.932 606 1HB LYS 74 1HB LYS 74 7.793 27.528 -6.640 607 2HB LYS 74 2HB LYS 74 9.088 26.401 -6.295 608 1HG LYS 74 1HG LYS 74 10.008 28.863 -7.672 609 2HG LYS 74 2HG LYS 74 9.274 29.174 -6.111 610 1HD LYS 74 1HD LYS 74 11.478 27.108 -6.568 611 2HD LYS 74 2HD LYS 74 11.778 28.747 -6.025 612 1HE LYS 74 2HE LYS 74 9.790 27.023 -4.519 613 2HE LYS 74 3HE LYS 74 11.506 26.792 -4.251 614 1HZ LYS 74 1HZ LYS 74 11.223 28.445 -2.814 615 2HZ LYS 74 2HZ LYS 74 11.283 29.437 -4.110 616 3HZ LYS 74 3HZ LYS 74 9.840 28.986 -3.493 617 H LEU 75 H LEU 75 10.921 25.393 -7.868 618 HA LEU 75 HA LEU 75 12.978 25.229 -8.650 619 1HB LEU 75 1HB LEU 75 11.368 25.668 -10.961 620 2HB LEU 75 2HB LEU 75 12.873 26.539 -11.177 621 HG LEU 75 HG LEU 75 13.741 24.089 -10.239 622 1HD1 LEU 75 1HD1 LEU 75 12.597 22.350 -11.411 623 2HD1 LEU 75 2HD1 LEU 75 11.391 23.249 -10.457 624 3HD1 LEU 75 3HD1 LEU 75 11.518 23.517 -12.212 625 1HD2 LEU 75 1HD2 LEU 75 13.391 24.688 -13.175 626 2HD2 LEU 75 2HD2 LEU 75 14.545 25.579 -12.153 627 3HD2 LEU 75 3HD2 LEU 75 14.712 23.818 -12.357 628 H LYS 76 H LYS 76 14.584 26.379 -7.732 629 HA LYS 76 HA LYS 76 15.674 28.117 -6.891 630 1HB LYS 76 1HB LYS 76 15.541 28.404 -9.760 631 2HB LYS 76 2HB LYS 76 15.618 29.989 -9.017 632 1HG LYS 76 1HG LYS 76 17.452 27.964 -7.818 633 2HG LYS 76 2HG LYS 76 17.808 28.375 -9.484 634 1HD LYS 76 1HD LYS 76 18.102 30.702 -8.971 635 2HD LYS 76 2HD LYS 76 17.311 30.549 -7.415 636 1HE LYS 76 2HE LYS 76 19.172 29.475 -6.417 637 2HE LYS 76 3HE LYS 76 19.818 28.936 -7.954 638 1HZ LYS 76 1HZ LYS 76 20.417 31.263 -6.593 639 2HZ LYS 76 2HZ LYS 76 21.012 30.764 -8.029 640 3HZ LYS 76 3HZ LYS 76 19.683 31.711 -7.980 Start of MODEL 10 1 H MET 1 H MET 1 3.884 6.255 -3.092 2 HA MET 1 HA MET 1 2.394 5.068 -1.366 3 1HB MET 1 1HB MET 1 2.963 2.569 -1.434 4 2HB MET 1 2HB MET 1 1.935 3.104 -2.748 5 1HG MET 1 1HG MET 1 4.335 3.512 -3.944 6 2HG MET 1 2HG MET 1 4.825 2.262 -2.818 7 1HE MET 1 1HE MET 1 2.107 1.958 -6.433 8 2HE MET 1 2HE MET 1 1.363 2.779 -5.041 9 3HE MET 1 3HE MET 1 2.887 3.392 -5.724 10 H LEU 2 H LEU 2 3.567 4.081 0.553 11 HA LEU 2 HA LEU 2 5.946 5.435 1.014 12 1HB LEU 2 1HB LEU 2 4.188 3.583 2.402 13 2HB LEU 2 2HB LEU 2 5.871 3.303 2.804 14 HG LEU 2 HG LEU 2 5.012 4.799 4.427 15 1HD1 LEU 2 1HD1 LEU 2 6.614 6.435 4.393 16 2HD1 LEU 2 2HD1 LEU 2 7.263 5.327 3.161 17 3HD1 LEU 2 3HD1 LEU 2 6.381 6.792 2.665 18 1HD2 LEU 2 1HD2 LEU 2 3.134 5.884 3.886 19 2HD2 LEU 2 2HD2 LEU 2 4.214 7.156 3.267 20 3HD2 LEU 2 3HD2 LEU 2 3.546 5.937 2.154 21 H LYS 3 H LYS 3 8.074 4.334 1.679 22 HA LYS 3 HA LYS 3 8.658 1.863 0.369 23 1HB LYS 3 1HB LYS 3 10.341 2.778 -1.186 24 2HB LYS 3 2HB LYS 3 8.707 3.256 -1.600 25 1HG LYS 3 1HG LYS 3 9.086 5.448 -0.388 26 2HG LYS 3 2HG LYS 3 10.748 4.969 -0.106 27 1HD LYS 3 1HD LYS 3 10.152 4.595 -2.918 28 2HD LYS 3 2HD LYS 3 9.636 6.203 -2.451 29 1HE LYS 3 2HE LYS 3 11.856 6.746 -1.580 30 2HE LYS 3 3HE LYS 3 12.392 5.087 -1.762 31 1HZ LYS 3 1HZ LYS 3 11.398 6.049 -4.200 32 2HZ LYS 3 2HZ LYS 3 12.534 7.076 -3.631 33 3HZ LYS 3 3HZ LYS 3 12.896 5.499 -3.850 34 H ASN 4 H ASN 4 10.279 0.848 1.471 35 HA ASN 4 HA ASN 4 12.540 1.824 2.406 36 1HB ASN 4 1HB ASN 4 10.308 2.802 4.095 37 2HB ASN 4 2HB ASN 4 11.518 1.944 5.028 38 1HD2 ASN 4 1HD2 ASN 4 10.816 4.769 4.988 39 2HD2 ASN 4 2HD2 ASN 4 12.252 5.658 4.604 40 H LEU 5 H LEU 5 13.602 -0.099 2.935 41 HA LEU 5 HA LEU 5 12.590 -1.928 4.805 42 1HB LEU 5 1HB LEU 5 11.804 -3.695 3.566 43 2HB LEU 5 2HB LEU 5 11.075 -2.307 2.783 44 HG LEU 5 HG LEU 5 13.622 -3.556 1.749 45 1HD1 LEU 5 1HD1 LEU 5 12.394 -4.978 0.293 46 2HD1 LEU 5 2HD1 LEU 5 11.779 -5.260 1.941 47 3HD1 LEU 5 3HD1 LEU 5 10.841 -4.269 0.797 48 1HD2 LEU 5 1HD2 LEU 5 13.171 -2.413 -0.265 49 2HD2 LEU 5 2HD2 LEU 5 11.506 -2.026 0.231 50 3HD2 LEU 5 3HD2 LEU 5 12.882 -1.232 1.036 51 H ALA 6 H ALA 6 13.949 -4.241 4.113 52 HA ALA 6 HA ALA 6 15.968 -5.143 4.084 53 1HB ALA 6 1HB ALA 6 17.714 -4.017 2.598 54 2HB ALA 6 2HB ALA 6 16.177 -4.443 1.807 55 3HB ALA 6 3HB ALA 6 16.498 -2.758 2.280 56 H LYS 7 H LYS 7 16.559 -5.097 6.236 57 HA LYS 7 HA LYS 7 18.672 -3.432 6.976 58 1HB LYS 7 1HB LYS 7 16.445 -1.934 7.068 59 2HB LYS 7 2HB LYS 7 16.321 -2.677 8.650 60 1HG LYS 7 1HG LYS 7 18.917 -1.405 7.693 61 2HG LYS 7 2HG LYS 7 17.661 -0.453 8.459 62 1HD LYS 7 1HD LYS 7 17.787 -1.786 10.502 63 2HD LYS 7 2HD LYS 7 18.839 -2.961 9.738 64 1HE LYS 7 2HE LYS 7 20.614 -1.231 9.477 65 2HE LYS 7 3HE LYS 7 19.560 -0.024 10.188 66 1HZ LYS 7 1HZ LYS 7 19.537 -1.274 12.211 67 2HZ LYS 7 2HZ LYS 7 20.428 -2.476 11.556 68 3HZ LYS 7 3HZ LYS 7 21.088 -1.000 11.780 69 H LEU 8 H LEU 8 15.726 -4.992 8.434 70 HA LEU 8 HA LEU 8 16.778 -7.319 9.205 71 1HB LEU 8 1HB LEU 8 18.014 -5.172 10.741 72 2HB LEU 8 2HB LEU 8 17.228 -6.355 11.768 73 HG LEU 8 HG LEU 8 18.973 -7.423 9.606 74 1HD1 LEU 8 1HD1 LEU 8 20.030 -5.881 11.980 75 2HD1 LEU 8 2HD1 LEU 8 20.983 -7.115 11.119 76 3HD1 LEU 8 3HD1 LEU 8 20.414 -5.667 10.255 77 1HD2 LEU 8 1HD2 LEU 8 18.819 -9.274 10.821 78 2HD2 LEU 8 2HD2 LEU 8 19.423 -8.439 12.271 79 3HD2 LEU 8 3HD2 LEU 8 17.684 -8.419 11.893 80 H ASP 9 H ASP 9 14.459 -7.415 8.634 81 HA ASP 9 HA ASP 9 12.342 -7.554 9.098 82 1HB ASP 9 1HB ASP 9 12.819 -7.659 12.068 83 2HB ASP 9 2HB ASP 9 11.785 -8.672 11.081 84 H GLN 10 H GLN 10 13.164 -4.885 8.843 85 HA GLN 10 HA GLN 10 11.745 -3.565 11.023 86 1HB GLN 10 1HB GLN 10 14.239 -3.029 10.648 87 2HB GLN 10 2HB GLN 10 13.755 -2.252 9.153 88 1HG GLN 10 1HG GLN 10 12.004 -0.989 10.718 89 2HG GLN 10 2HG GLN 10 13.105 -1.454 12.000 90 1HE2 GLN 10 1HE2 GLN 10 12.953 1.063 11.877 91 2HE2 GLN 10 2HE2 GLN 10 14.248 1.850 11.039 92 H THR 11 H THR 11 11.264 -4.742 7.996 93 HA THR 11 HA THR 11 10.247 -2.534 6.571 94 HB THR 11 HB THR 11 9.539 -5.510 6.393 95 HG1 THR 11 1HG THR 11 11.612 -5.618 5.614 96 1HG2 THR 11 1HG2 THR 11 8.769 -3.194 4.820 97 2HG2 THR 11 2HG2 THR 11 9.892 -4.190 3.863 98 3HG2 THR 11 3HG2 THR 11 8.396 -4.906 4.510 99 H GLU 12 H GLU 12 8.627 -5.003 8.666 100 HA GLU 12 HA GLU 12 6.092 -3.972 8.289 101 1HB GLU 12 1HB GLU 12 6.924 -6.205 9.393 102 2HB GLU 12 2HB GLU 12 6.970 -5.279 10.879 103 1HG GLU 12 1HG GLU 12 4.527 -4.567 10.306 104 2HG GLU 12 2HG GLU 12 4.557 -5.853 9.115 105 H MET 13 H MET 13 8.806 -2.892 10.265 106 HA MET 13 HA MET 13 7.377 -1.468 12.167 107 1HB MET 13 1HB MET 13 10.033 -2.041 11.639 108 2HB MET 13 2HB MET 13 9.988 -0.347 11.191 109 1HG MET 13 1HG MET 13 10.262 0.100 13.410 110 2HG MET 13 2HG MET 13 8.579 -0.350 13.598 111 1HE MET 13 1HE MET 13 10.790 -2.036 16.515 112 2HE MET 13 2HE MET 13 11.252 -0.579 15.604 113 3HE MET 13 3HE MET 13 9.577 -0.781 16.170 114 H ASP 14 H ASP 14 8.345 -0.714 8.815 115 HA ASP 14 HA ASP 14 7.732 2.041 9.092 116 1HB ASP 14 1HB ASP 14 9.323 0.810 7.389 117 2HB ASP 14 2HB ASP 14 7.862 0.514 6.468 118 H LYS 15 H LYS 15 6.062 -0.977 8.338 119 HA LYS 15 HA LYS 15 3.855 0.321 7.016 120 1HB LYS 15 1HB LYS 15 4.767 -2.449 7.520 121 2HB LYS 15 2HB LYS 15 3.029 -2.231 7.510 122 1HG LYS 15 1HG LYS 15 4.017 -2.740 5.233 123 2HG LYS 15 2HG LYS 15 3.065 -1.269 5.284 124 1HD LYS 15 1HD LYS 15 4.967 -0.504 4.164 125 2HD LYS 15 2HD LYS 15 5.387 -0.100 5.816 126 1HE LYS 15 2HE LYS 15 7.312 -1.263 5.365 127 2HE LYS 15 3HE LYS 15 6.332 -2.674 5.711 128 1HZ LYS 15 1HZ LYS 15 7.597 -2.423 3.474 129 2HZ LYS 15 2HZ LYS 15 6.142 -3.161 3.527 130 3HZ LYS 15 3HZ LYS 15 6.254 -1.614 3.015 131 H VAL 16 H VAL 16 4.377 -1.517 10.106 132 HA VAL 16 HA VAL 16 1.937 -1.274 11.215 133 HB VAL 16 HB VAL 16 4.547 -1.879 12.038 134 1HG1 VAL 16 1HG1 VAL 16 4.885 -0.825 14.141 135 2HG1 VAL 16 2HG1 VAL 16 4.549 0.482 12.981 136 3HG1 VAL 16 3HG1 VAL 16 3.277 -0.062 14.101 137 1HG2 VAL 16 1HG2 VAL 16 2.083 -2.057 13.786 138 2HG2 VAL 16 2HG2 VAL 16 2.328 -3.102 12.365 139 3HG2 VAL 16 3HG2 VAL 16 3.481 -3.157 13.720 140 H ASN 17 H ASN 17 4.363 1.293 10.723 141 HA ASN 17 HA ASN 17 3.330 3.154 12.448 142 1HB ASN 17 1HB ASN 17 5.476 3.200 10.927 143 2HB ASN 17 2HB ASN 17 4.426 3.862 9.690 144 1HD2 ASN 17 1HD2 ASN 17 4.706 4.279 13.220 145 2HD2 ASN 17 2HD2 ASN 17 4.843 6.006 13.226 146 H VAL 18 H VAL 18 2.938 3.118 8.815 147 HA VAL 18 HA VAL 18 0.886 4.929 8.679 148 HB VAL 18 HB VAL 18 1.656 2.584 6.949 149 1HG1 VAL 18 1HG1 VAL 18 0.194 3.339 5.222 150 2HG1 VAL 18 2HG1 VAL 18 -0.789 3.192 6.699 151 3HG1 VAL 18 3HG1 VAL 18 -0.253 4.796 6.142 152 1HG2 VAL 18 1HG2 VAL 18 3.313 3.983 6.397 153 2HG2 VAL 18 2HG2 VAL 18 2.079 4.981 5.590 154 3HG2 VAL 18 3HG2 VAL 18 2.558 5.339 7.267 155 H ASP 19 H ASP 19 0.821 1.427 9.420 156 HA ASP 19 HA ASP 19 -1.848 0.985 9.077 157 1HB ASP 19 1HB ASP 19 0.392 -0.325 10.294 158 2HB ASP 19 2HB ASP 19 -0.900 -0.357 11.479 159 H LEU 20 H LEU 20 -0.172 3.012 11.351 160 HA LEU 20 HA LEU 20 -2.154 2.848 13.424 161 1HB LEU 20 1HB LEU 20 0.428 3.381 13.509 162 2HB LEU 20 2HB LEU 20 -0.116 5.024 13.231 163 HG LEU 20 HG LEU 20 -1.468 3.512 15.414 164 1HD1 LEU 20 1HD1 LEU 20 1.419 4.389 15.529 165 2HD1 LEU 20 2HD1 LEU 20 0.407 4.210 16.982 166 3HD1 LEU 20 3HD1 LEU 20 0.718 2.805 15.935 167 1HD2 LEU 20 1HD2 LEU 20 -0.387 6.322 15.493 168 2HD2 LEU 20 2HD2 LEU 20 -1.908 5.933 14.654 169 3HD2 LEU 20 3HD2 LEU 20 -1.745 5.608 16.395 170 H ALA 21 H ALA 21 -1.734 4.496 10.392 171 HA ALA 21 HA ALA 21 -3.249 6.810 11.069 172 1HB ALA 21 1HB ALA 21 -3.259 7.087 8.559 173 2HB ALA 21 2HB ALA 21 -1.638 6.898 9.270 174 3HB ALA 21 3HB ALA 21 -2.413 5.526 8.441 175 H ALA 22 H ALA 22 -4.302 5.092 8.202 176 HA ALA 22 HA ALA 22 -6.274 3.464 8.977 177 1HB ALA 22 1HB ALA 22 -7.708 4.669 10.227 178 2HB ALA 22 2HB ALA 22 -6.882 6.193 9.827 179 3HB ALA 22 3HB ALA 22 -8.131 5.548 8.737 180 H ALA 23 H ALA 23 -8.480 4.236 7.359 181 HA ALA 23 HA ALA 23 -9.139 4.290 5.248 182 1HB ALA 23 1HB ALA 23 -7.207 5.622 3.759 183 2HB ALA 23 2HB ALA 23 -8.569 6.383 4.616 184 3HB ALA 23 3HB ALA 23 -6.975 6.275 5.399 185 H GLY 24 H GLY 24 -8.986 2.998 3.366 186 1HA GLY 24 1HA GLY 24 -6.672 1.906 2.303 187 2HA GLY 24 2HA GLY 24 -7.200 0.799 3.554 188 H VAL 25 H VAL 25 -9.031 2.893 1.209 189 HA VAL 25 HA VAL 25 -10.443 0.454 0.381 190 HB VAL 25 HB VAL 25 -11.566 3.155 -0.133 191 1HG1 VAL 25 1HG1 VAL 25 -13.388 1.938 -0.545 192 2HG1 VAL 25 2HG1 VAL 25 -12.444 0.464 -0.219 193 3HG1 VAL 25 3HG1 VAL 25 -13.347 1.253 1.098 194 1HG2 VAL 25 1HG2 VAL 25 -12.618 2.772 2.316 195 2HG2 VAL 25 2HG2 VAL 25 -10.993 2.098 2.590 196 3HG2 VAL 25 3HG2 VAL 25 -11.177 3.775 2.021 197 H ALA 26 H ALA 26 -9.983 3.761 -1.035 198 HA ALA 26 HA ALA 26 -10.018 3.073 -3.637 199 1HB ALA 26 1HB ALA 26 -9.796 5.318 -3.546 200 2HB ALA 26 2HB ALA 26 -8.920 5.250 -1.996 201 3HB ALA 26 3HB ALA 26 -8.041 5.026 -3.527 202 H PHE 27 H PHE 27 -7.058 3.154 -1.527 203 HA PHE 27 HA PHE 27 -5.127 2.480 -3.196 204 1HB PHE 27 1HB PHE 27 -5.920 1.269 -0.487 205 2HB PHE 27 2HB PHE 27 -4.361 0.933 -1.212 206 HD1 PHE 27 1HD PHE 27 -6.447 3.515 0.344 207 HD2 PHE 27 2HD PHE 27 -2.630 2.617 -1.277 208 HE1 PHE 27 1HE PHE 27 -5.519 5.609 1.371 209 HE2 PHE 27 2HE PHE 27 -1.702 4.711 -0.251 210 HZ PHE 27 HZ PHE 27 -3.157 6.181 1.061 211 H LYS 28 H LYS 28 -7.511 0.105 -1.841 212 HA LYS 28 HA LYS 28 -7.079 -1.532 -4.193 213 1HB LYS 28 1HB LYS 28 -5.501 -2.151 -2.137 214 2HB LYS 28 2HB LYS 28 -6.943 -2.970 -1.573 215 1HG LYS 28 1HG LYS 28 -6.874 -3.715 -4.254 216 2HG LYS 28 2HG LYS 28 -5.169 -3.630 -3.861 217 1HD LYS 28 1HD LYS 28 -6.104 -4.954 -1.643 218 2HD LYS 28 2HD LYS 28 -7.262 -5.505 -2.838 219 1HE LYS 28 2HE LYS 28 -5.276 -6.103 -4.348 220 2HE LYS 28 3HE LYS 28 -4.222 -5.750 -2.993 221 1HZ LYS 28 1HZ LYS 28 -6.394 -7.487 -2.345 222 2HZ LYS 28 2HZ LYS 28 -5.365 -8.111 -3.449 223 3HZ LYS 28 3HZ LYS 28 -4.806 -7.629 -1.993 224 H GLU 29 H GLU 29 -9.245 -0.291 -4.338 225 HA GLU 29 HA GLU 29 -11.290 -1.010 -2.584 226 1HB GLU 29 1HB GLU 29 -10.968 0.562 -5.023 227 2HB GLU 29 2HB GLU 29 -12.458 -0.357 -5.087 228 1HG GLU 29 1HG GLU 29 -11.716 1.201 -2.586 229 2HG GLU 29 2HG GLU 29 -12.476 2.008 -3.943 230 H ARG 30 H ARG 30 -10.114 -2.356 -5.708 231 HA ARG 30 HA ARG 30 -10.822 -4.051 -6.906 232 1HB ARG 30 1HB ARG 30 -10.301 -5.058 -4.122 233 2HB ARG 30 2HB ARG 30 -11.050 -6.198 -5.221 234 1HG ARG 30 1HG ARG 30 -8.887 -4.810 -6.593 235 2HG ARG 30 2HG ARG 30 -8.290 -5.466 -5.081 236 1HD ARG 30 1HD ARG 30 -8.610 -7.669 -5.739 237 2HD ARG 30 2HD ARG 30 -10.043 -7.298 -6.678 238 HE ARG 30 HE ARG 30 -8.028 -6.046 -8.105 239 1HH1 ARG 30 1HH1 ARG 30 -6.617 -8.727 -9.837 240 2HH1 ARG 30 2HH1 ARG 30 -6.819 -7.008 -9.789 241 1HH2 ARG 30 1HH2 ARG 30 -7.574 -10.055 -8.192 242 2HH2 ARG 30 2HH2 ARG 30 -8.491 -9.326 -6.915 243 H TYR 31 H TYR 31 -12.498 -5.323 -3.990 244 HA TYR 31 HA TYR 31 -14.770 -6.134 -5.229 245 1HB TYR 31 1HB TYR 31 -15.679 -5.460 -2.751 246 2HB TYR 31 2HB TYR 31 -14.540 -6.775 -2.958 247 HD1 TYR 31 1HD TYR 31 -12.295 -6.627 -2.116 248 HD2 TYR 31 2HD TYR 31 -14.870 -3.214 -1.986 249 HE1 TYR 31 1HE TYR 31 -10.658 -5.441 -0.573 250 HE2 TYR 31 2HE TYR 31 -13.225 -2.040 -0.444 251 HH TYR 31 HH TYR 31 -10.575 -2.301 -0.107 252 H ASN 32 H ASN 32 -13.765 -2.846 -4.618 253 HA ASN 32 HA ASN 32 -14.666 -0.936 -5.112 254 1HB ASN 32 1HB ASN 32 -15.470 -1.970 -7.230 255 2HB ASN 32 2HB ASN 32 -16.892 -2.589 -6.415 256 1HD2 ASN 32 1HD2 ASN 32 -15.118 0.477 -6.807 257 2HD2 ASN 32 2HD2 ASN 32 -16.494 1.496 -7.064 258 H MET 33 H MET 33 -15.003 -1.412 -2.552 259 HA MET 33 HA MET 33 -17.755 -1.669 -1.828 260 1HB MET 33 1HB MET 33 -15.080 -1.448 -0.429 261 2HB MET 33 2HB MET 33 -16.502 -1.027 0.503 262 1HG MET 33 1HG MET 33 -16.557 -3.603 -1.074 263 2HG MET 33 2HG MET 33 -15.600 -3.557 0.392 264 1HE MET 33 1HE MET 33 -17.814 -5.221 -0.521 265 2HE MET 33 2HE MET 33 -18.504 -5.581 1.080 266 3HE MET 33 3HE MET 33 -19.494 -4.763 -0.154 267 HA PRO 34 HA PRO 34 -18.626 2.547 -1.283 268 1HB PRO 34 1HB PRO 34 -20.182 2.637 0.962 269 2HB PRO 34 2HB PRO 34 -20.789 2.140 -0.606 270 1HG PRO 34 1HG PRO 34 -20.138 0.469 1.745 271 2HG PRO 34 2HG PRO 34 -21.124 0.069 0.352 272 1HD PRO 34 1HD PRO 34 -18.437 -0.797 0.859 273 2HD PRO 34 2HD PRO 34 -19.380 -1.101 -0.586 274 H VAL 35 H VAL 35 -18.826 4.453 0.482 275 HA VAL 35 HA VAL 35 -16.162 4.817 1.272 276 HB VAL 35 HB VAL 35 -18.546 6.278 2.390 277 1HG1 VAL 35 1HG1 VAL 35 -17.095 8.132 2.583 278 2HG1 VAL 35 2HG1 VAL 35 -16.144 6.737 3.148 279 3HG1 VAL 35 3HG1 VAL 35 -15.874 7.397 1.516 280 1HG2 VAL 35 1HG2 VAL 35 -19.216 6.520 0.235 281 2HG2 VAL 35 2HG2 VAL 35 -17.935 7.756 0.209 282 3HG2 VAL 35 3HG2 VAL 35 -17.610 6.125 -0.426 283 H ILE 36 H ILE 36 -16.186 2.488 2.312 284 HA ILE 36 HA ILE 36 -16.503 2.950 5.174 285 HB ILE 36 HB ILE 36 -18.029 1.059 3.541 286 1HG1 ILE 36 1HG1 ILE 36 -18.454 1.791 6.435 287 2HG1 ILE 36 2HG1 ILE 36 -18.806 2.933 5.155 288 1HG2 ILE 36 1HG2 ILE 36 -16.529 -0.602 4.338 289 2HG2 ILE 36 2HG2 ILE 36 -16.529 0.084 5.980 290 3HG2 ILE 36 3HG2 ILE 36 -17.994 -0.701 5.343 291 1HD1 ILE 36 1HD1 ILE 36 -20.629 1.747 4.400 292 2HD1 ILE 36 2HD1 ILE 36 -19.875 0.172 4.740 293 3HD1 ILE 36 3HD1 ILE 36 -20.612 1.109 6.061 294 H ALA 37 H ALA 37 -15.113 1.543 6.484 295 HA ALA 37 HA ALA 37 -12.804 0.655 4.902 296 1HB ALA 37 1HB ALA 37 -11.536 1.743 6.409 297 2HB ALA 37 2HB ALA 37 -13.035 2.425 7.082 298 3HB ALA 37 3HB ALA 37 -12.353 0.931 7.765 299 H GLU 38 H GLU 38 -14.903 -0.132 7.749 300 HA GLU 38 HA GLU 38 -13.843 -2.476 8.478 301 1HB GLU 38 1HB GLU 38 -16.012 -1.148 9.250 302 2HB GLU 38 2HB GLU 38 -16.847 -2.284 8.210 303 1HG GLU 38 1HG GLU 38 -15.195 -4.002 9.586 304 2HG GLU 38 2HG GLU 38 -15.438 -2.763 10.802 305 H ALA 39 H ALA 39 -16.012 -1.862 5.668 306 HA ALA 39 HA ALA 39 -16.227 -4.612 4.979 307 1HB ALA 39 1HB ALA 39 -17.652 -3.845 3.350 308 2HB ALA 39 2HB ALA 39 -17.654 -2.402 4.394 309 3HB ALA 39 3HB ALA 39 -16.618 -2.453 2.947 310 H VAL 40 H VAL 40 -14.008 -1.918 4.220 311 HA VAL 40 HA VAL 40 -12.799 -3.008 1.975 312 HB VAL 40 HB VAL 40 -12.297 -0.916 3.951 313 1HG1 VAL 40 1HG1 VAL 40 -9.879 -2.025 2.492 314 2HG1 VAL 40 2HG1 VAL 40 -9.932 -0.666 3.639 315 3HG1 VAL 40 3HG1 VAL 40 -10.225 -2.325 4.212 316 1HG2 VAL 40 1HG2 VAL 40 -13.162 -0.649 1.596 317 2HG2 VAL 40 2HG2 VAL 40 -11.778 0.390 2.013 318 3HG2 VAL 40 3HG2 VAL 40 -11.531 -1.067 1.019 319 H GLU 41 H GLU 41 -12.244 -3.546 5.488 320 HA GLU 41 HA GLU 41 -9.992 -5.194 4.982 321 1HB GLU 41 1HB GLU 41 -11.322 -4.011 7.279 322 2HB GLU 41 2HB GLU 41 -11.018 -5.708 7.592 323 1HG GLU 41 1HG GLU 41 -8.967 -4.856 8.253 324 2HG GLU 41 2HG GLU 41 -8.610 -5.123 6.558 325 H ARG 42 H ARG 42 -13.497 -5.640 5.570 326 HA ARG 42 HA ARG 42 -13.489 -8.307 6.124 327 1HB ARG 42 1HB ARG 42 -15.527 -6.996 6.332 328 2HB ARG 42 2HB ARG 42 -15.503 -6.563 4.635 329 1HG ARG 42 1HG ARG 42 -16.723 -8.402 4.130 330 2HG ARG 42 2HG ARG 42 -15.455 -9.433 4.764 331 1HD ARG 42 1HD ARG 42 -16.553 -9.789 6.758 332 2HD ARG 42 2HD ARG 42 -17.110 -8.131 6.869 333 HE ARG 42 HE ARG 42 -18.454 -9.537 4.715 334 1HH1 ARG 42 1HH1 ARG 42 -21.372 -10.106 6.543 335 2HH1 ARG 42 2HH1 ARG 42 -20.655 -10.098 4.966 336 1HH2 ARG 42 1HH2 ARG 42 -20.097 -9.548 8.400 337 2HH2 ARG 42 2HH2 ARG 42 -18.429 -9.123 8.209 338 H GLU 43 H GLU 43 -13.474 -6.578 2.953 339 HA GLU 43 HA GLU 43 -13.601 -9.042 1.520 340 1HB GLU 43 1HB GLU 43 -12.985 -6.246 0.470 341 2HB GLU 43 2HB GLU 43 -13.490 -7.629 -0.481 342 1HG GLU 43 1HG GLU 43 -15.271 -6.840 1.808 343 2HG GLU 43 2HG GLU 43 -15.235 -5.759 0.430 344 H GLN 44 H GLN 44 -11.225 -6.314 1.188 345 HA GLN 44 HA GLN 44 -9.065 -8.058 1.788 346 1HB GLN 44 1HB GLN 44 -9.936 -8.048 -0.887 347 2HB GLN 44 2HB GLN 44 -8.568 -6.954 -0.889 348 1HG GLN 44 1HG GLN 44 -7.079 -8.630 -0.024 349 2HG GLN 44 2HG GLN 44 -8.399 -9.667 0.477 350 1HE2 GLN 44 1HE2 GLN 44 -6.624 -10.927 -0.886 351 2HE2 GLN 44 2HE2 GLN 44 -7.063 -11.227 -2.535 352 HA PRO 45 HA PRO 45 -7.866 -3.965 2.833 353 1HB PRO 45 1HB PRO 45 -5.779 -4.628 4.469 354 2HB PRO 45 2HB PRO 45 -7.440 -4.537 5.022 355 1HG PRO 45 1HG PRO 45 -5.798 -6.933 4.472 356 2HG PRO 45 2HG PRO 45 -7.273 -6.805 5.409 357 1HD PRO 45 1HD PRO 45 -7.014 -7.849 2.749 358 2HD PRO 45 2HD PRO 45 -8.503 -7.612 3.643 359 H GLU 46 H GLU 46 -6.761 -2.475 1.721 360 HA GLU 46 HA GLU 46 -5.123 -3.341 -0.310 361 1HB GLU 46 1HB GLU 46 -4.408 -0.879 -0.388 362 2HB GLU 46 2HB GLU 46 -6.128 -1.188 -0.509 363 1HG GLU 46 1HG GLU 46 -6.338 0.322 1.188 364 2HG GLU 46 2HG GLU 46 -5.823 -0.988 2.232 365 H HIS 47 H HIS 47 -4.192 -1.682 2.796 366 HA HIS 47 HA HIS 47 -1.532 -1.662 2.559 367 1HB HIS 47 1HB HIS 47 -1.399 -1.594 4.919 368 2HB HIS 47 2HB HIS 47 -2.923 -0.851 4.480 369 HD1 HIS 47 1HD HIS 47 -5.133 -2.331 4.895 370 HD2 HIS 47 2HD HIS 47 -1.590 -3.806 6.587 371 HE1 HIS 47 1HE HIS 47 -5.838 -4.070 6.624 372 H LEU 48 H LEU 48 -3.504 -4.499 3.667 373 HA LEU 48 HA LEU 48 -1.567 -6.268 4.252 374 1HB LEU 48 1HB LEU 48 -4.319 -6.352 3.382 375 2HB LEU 48 2HB LEU 48 -3.431 -7.716 2.732 376 HG LEU 48 HG LEU 48 -4.432 -8.384 4.795 377 1HD1 LEU 48 1HD1 LEU 48 -2.551 -9.215 6.006 378 2HD1 LEU 48 2HD1 LEU 48 -2.102 -9.160 4.286 379 3HD1 LEU 48 3HD1 LEU 48 -1.504 -7.909 5.401 380 1HD2 LEU 48 1HD2 LEU 48 -4.523 -5.922 5.626 381 2HD2 LEU 48 2HD2 LEU 48 -4.390 -7.246 6.809 382 3HD2 LEU 48 3HD2 LEU 48 -2.948 -6.297 6.370 383 H ARG 49 H ARG 49 -2.350 -4.922 1.072 384 HA ARG 49 HA ARG 49 -1.197 -6.838 -0.500 385 1HB ARG 49 1HB ARG 49 -1.224 -5.194 -2.234 386 2HB ARG 49 2HB ARG 49 -2.522 -4.705 -1.164 387 1HG ARG 49 1HG ARG 49 -0.815 -3.169 0.011 388 2HG ARG 49 2HG ARG 49 0.287 -3.526 -1.305 389 1HD ARG 49 1HD ARG 49 -2.436 -2.164 -1.504 390 2HD ARG 49 2HD ARG 49 -0.871 -1.456 -1.853 391 HE ARG 49 HE ARG 49 -1.560 -3.832 -3.468 392 1HH1 ARG 49 1HH1 ARG 49 -1.775 -1.925 -6.382 393 2HH1 ARG 49 2HH1 ARG 49 -1.726 -3.527 -5.727 394 1HH2 ARG 49 1HH2 ARG 49 -1.672 -0.088 -4.968 395 2HH2 ARG 49 2HH2 ARG 49 -1.546 -0.319 -3.256 396 H SER 50 H SER 50 0.249 -3.990 1.194 397 HA SER 50 HA SER 50 2.860 -4.879 0.289 398 1HB SER 50 1HB SER 50 1.689 -2.275 1.165 399 2HB SER 50 2HB SER 50 3.343 -2.559 1.667 400 HG SER 50 HG SER 50 3.298 -3.313 -0.881 401 H TRP 51 H TRP 51 0.723 -4.619 3.090 402 HA TRP 51 HA TRP 51 2.716 -4.799 5.085 403 1HB TRP 51 1HB TRP 51 -0.240 -5.007 4.931 404 2HB TRP 51 2HB TRP 51 0.529 -5.797 6.293 405 HD1 TRP 51 HD TRP 51 0.614 -4.202 8.347 406 HE1 TRP 51 1HE TRP 51 0.859 -1.623 8.855 407 HE3 TRP 51 3HE TRP 51 0.985 -2.745 3.490 408 HZ2 TRP 51 2HZ TRP 51 1.174 0.684 7.205 409 HZ3 TRP 51 3HZ TRP 51 1.259 -0.311 3.025 410 HH2 TRP 51 HH TRP 51 1.355 1.378 4.787 411 H PHE 52 H PHE 52 1.042 -7.071 2.926 412 HA PHE 52 HA PHE 52 2.098 -9.330 4.428 413 1HB PHE 52 1HB PHE 52 -0.313 -9.042 3.413 414 2HB PHE 52 2HB PHE 52 0.442 -9.238 1.844 415 HD1 PHE 52 1HD PHE 52 1.854 -11.403 1.514 416 HD2 PHE 52 2HD PHE 52 -1.044 -10.916 4.575 417 HE1 PHE 52 1HE PHE 52 1.670 -13.896 1.736 418 HE2 PHE 52 2HE PHE 52 -1.228 -13.409 4.797 419 HZ PHE 52 HZ PHE 52 0.131 -14.870 3.375 420 H ARG 53 H ARG 53 2.260 -7.746 1.186 421 HA ARG 53 HA ARG 53 4.204 -9.665 0.345 422 1HB ARG 53 1HB ARG 53 2.336 -8.276 -1.040 423 2HB ARG 53 2HB ARG 53 3.656 -7.136 -1.211 424 1HG ARG 53 1HG ARG 53 5.110 -8.957 -2.128 425 2HG ARG 53 2HG ARG 53 3.789 -10.097 -1.957 426 1HD ARG 53 1HD ARG 53 3.079 -9.497 -4.030 427 2HD ARG 53 2HD ARG 53 2.670 -7.919 -3.388 428 HE ARG 53 HE ARG 53 5.344 -7.617 -3.829 429 1HH1 ARG 53 1HH1 ARG 53 5.611 -7.381 -7.300 430 2HH1 ARG 53 2HH1 ARG 53 6.363 -7.014 -5.783 431 1HH2 ARG 53 1HH2 ARG 53 3.570 -8.484 -7.347 432 2HH2 ARG 53 2HH2 ARG 53 2.798 -8.941 -5.865 433 H GLU 54 H GLU 54 4.326 -7.118 2.433 434 HA GLU 54 HA GLU 54 6.056 -5.284 1.771 435 1HB GLU 54 1HB GLU 54 6.464 -5.020 4.024 436 2HB GLU 54 2HB GLU 54 5.138 -6.160 4.136 437 1HG GLU 54 1HG GLU 54 6.818 -8.050 4.203 438 2HG GLU 54 2HG GLU 54 8.111 -6.866 4.194 439 H ARG 55 H ARG 55 6.859 -8.750 2.171 440 HA ARG 55 HA ARG 55 9.539 -8.648 2.297 441 1HB ARG 55 1HB ARG 55 7.587 -10.609 1.782 442 2HB ARG 55 2HB ARG 55 8.613 -10.688 0.364 443 1HG ARG 55 1HG ARG 55 10.619 -10.731 2.024 444 2HG ARG 55 2HG ARG 55 9.432 -11.042 3.275 445 1HD ARG 55 1HD ARG 55 8.738 -13.118 2.246 446 2HD ARG 55 2HD ARG 55 9.565 -12.742 0.748 447 HE ARG 55 HE ARG 55 11.476 -12.748 2.893 448 1HH1 ARG 55 1HH1 ARG 55 12.525 -16.046 2.441 449 2HH1 ARG 55 2HH1 ARG 55 12.899 -14.516 3.161 450 1HH2 ARG 55 1HH2 ARG 55 10.576 -16.300 1.204 451 2HH2 ARG 55 2HH2 ARG 55 9.498 -14.960 1.002 452 H LEU 56 H LEU 56 7.566 -8.871 -0.763 453 HA LEU 56 HA LEU 56 9.755 -7.462 -2.116 454 1HB LEU 56 1HB LEU 56 8.698 -10.126 -2.628 455 2HB LEU 56 2HB LEU 56 8.583 -9.090 -4.037 456 HG LEU 56 HG LEU 56 11.197 -8.884 -2.753 457 1HD1 LEU 56 1HD1 LEU 56 10.614 -11.232 -2.129 458 2HD1 LEU 56 2HD1 LEU 56 10.473 -11.606 -3.864 459 3HD1 LEU 56 3HD1 LEU 56 12.035 -11.083 -3.190 460 1HD2 LEU 56 1HD2 LEU 56 10.342 -9.705 -5.543 461 2HD2 LEU 56 2HD2 LEU 56 10.680 -8.045 -4.996 462 3HD2 LEU 56 3HD2 LEU 56 11.986 -9.253 -5.032 463 H ILE 57 H ILE 57 8.176 -5.691 -1.301 464 HA ILE 57 HA ILE 57 5.628 -5.410 -2.237 465 HB ILE 57 HB ILE 57 5.947 -3.025 -1.933 466 1HG1 ILE 57 1HG1 ILE 57 8.903 -3.683 -1.789 467 2HG1 ILE 57 2HG1 ILE 57 8.100 -2.726 -3.018 468 1HG2 ILE 57 1HG2 ILE 57 5.614 -4.431 0.031 469 2HG2 ILE 57 2HG2 ILE 57 7.371 -4.685 0.165 470 3HG2 ILE 57 3HG2 ILE 57 6.686 -3.060 0.406 471 1HD1 ILE 57 1HD1 ILE 57 7.317 -1.171 -1.109 472 2HD1 ILE 57 2HD1 ILE 57 8.481 -2.040 -0.079 473 3HD1 ILE 57 3HD1 ILE 57 9.053 -1.138 -1.502 474 H ALA 58 H ALA 58 8.718 -4.455 -3.873 475 HA ALA 58 HA ALA 58 9.114 -3.823 -5.971 476 1HB ALA 58 1HB ALA 58 8.850 -5.588 -7.404 477 2HB ALA 58 2HB ALA 58 8.321 -6.414 -5.917 478 3HB ALA 58 3HB ALA 58 7.114 -5.756 -7.048 479 H HIS 59 H HIS 59 7.695 -1.845 -5.052 480 HA HIS 59 HA HIS 59 5.140 -1.531 -6.181 481 1HB HIS 59 1HB HIS 59 5.500 0.883 -5.554 482 2HB HIS 59 2HB HIS 59 5.636 -0.280 -4.250 483 HD1 HIS 59 1HD HIS 59 8.110 1.294 -6.745 484 HD2 HIS 59 2HD HIS 59 7.782 0.295 -2.684 485 HE1 HIS 59 1HE HIS 59 10.291 2.035 -5.647 486 H ARG 60 H ARG 60 4.580 0.240 -7.797 487 HA ARG 60 HA ARG 60 6.704 0.783 -9.649 488 1HB ARG 60 1HB ARG 60 4.502 -1.165 -10.156 489 2HB ARG 60 2HB ARG 60 4.717 0.018 -11.432 490 1HG ARG 60 1HG ARG 60 7.065 -0.593 -11.708 491 2HG ARG 60 2HG ARG 60 7.031 -1.599 -10.273 492 1HD ARG 60 1HD ARG 60 6.870 -3.008 -12.294 493 2HD ARG 60 2HD ARG 60 5.388 -3.127 -11.366 494 HE ARG 60 HE ARG 60 4.922 -1.027 -13.151 495 1HH1 ARG 60 1HH1 ARG 60 3.958 -2.825 -15.982 496 2HH1 ARG 60 2HH1 ARG 60 3.913 -1.288 -15.184 497 1HH2 ARG 60 1HH2 ARG 60 5.043 -4.619 -14.985 498 2HH2 ARG 60 2HH2 ARG 60 5.809 -4.421 -13.444 499 H LEU 61 H LEU 61 3.178 0.727 -10.357 500 HA LEU 61 HA LEU 61 2.594 3.309 -9.474 501 1HB LEU 61 1HB LEU 61 2.637 4.605 -11.460 502 2HB LEU 61 2HB LEU 61 4.241 3.955 -11.184 503 HG LEU 61 HG LEU 61 2.345 2.558 -13.060 504 1HD1 LEU 61 1HD1 LEU 61 3.452 3.886 -14.911 505 2HD1 LEU 61 2HD1 LEU 61 2.257 4.758 -13.920 506 3HD1 LEU 61 3HD1 LEU 61 3.997 5.018 -13.651 507 1HD2 LEU 61 1HD2 LEU 61 4.863 2.365 -14.096 508 2HD2 LEU 61 2HD2 LEU 61 5.195 2.399 -12.348 509 3HD2 LEU 61 3HD2 LEU 61 4.102 1.167 -13.021 510 H ALA 62 H ALA 62 0.437 4.075 -10.528 511 HA ALA 62 HA ALA 62 -1.670 3.647 -11.051 512 1HB ALA 62 1HB ALA 62 -2.175 1.874 -12.673 513 2HB ALA 62 2HB ALA 62 -0.700 2.749 -13.154 514 3HB ALA 62 3HB ALA 62 -0.576 1.143 -12.397 515 H SER 63 H SER 63 -2.661 3.367 -9.084 516 HA SER 63 HA SER 63 -2.462 0.693 -7.947 517 1HB SER 63 1HB SER 63 -3.388 1.931 -5.850 518 2HB SER 63 2HB SER 63 -1.711 2.185 -6.290 519 HG SER 63 HG SER 63 -2.116 4.263 -6.569 520 H VAL 64 H VAL 64 -4.856 3.427 -7.737 521 HA VAL 64 HA VAL 64 -6.874 1.762 -8.965 522 HB VAL 64 HB VAL 64 -7.037 2.683 -6.091 523 1HG1 VAL 64 1HG1 VAL 64 -9.319 1.359 -6.352 524 2HG1 VAL 64 2HG1 VAL 64 -9.202 3.090 -6.748 525 3HG1 VAL 64 3HG1 VAL 64 -9.157 1.874 -8.047 526 1HG2 VAL 64 1HG2 VAL 64 -7.494 0.228 -5.703 527 2HG2 VAL 64 2HG2 VAL 64 -7.010 -0.055 -7.393 528 3HG2 VAL 64 3HG2 VAL 64 -5.841 0.619 -6.233 529 H ASN 65 H ASN 65 -7.743 4.347 -6.733 530 HA ASN 65 HA ASN 65 -8.032 6.086 -9.057 531 1HB ASN 65 1HB ASN 65 -9.997 5.144 -7.161 532 2HB ASN 65 2HB ASN 65 -9.791 6.862 -6.878 533 1HD2 ASN 65 1HD2 ASN 65 -11.706 7.519 -7.692 534 2HD2 ASN 65 2HD2 ASN 65 -12.156 7.436 -9.363 535 H LEU 66 H LEU 66 -7.793 5.955 -5.422 536 HA LEU 66 HA LEU 66 -6.689 8.635 -5.391 537 1HB LEU 66 1HB LEU 66 -8.246 7.048 -3.643 538 2HB LEU 66 2HB LEU 66 -6.715 7.329 -2.836 539 HG LEU 66 HG LEU 66 -7.248 9.847 -3.687 540 1HD1 LEU 66 1HD1 LEU 66 -9.769 10.082 -2.964 541 2HD1 LEU 66 2HD1 LEU 66 -9.324 9.704 -4.646 542 3HD1 LEU 66 3HD1 LEU 66 -9.867 8.406 -3.555 543 1HD2 LEU 66 1HD2 LEU 66 -8.596 9.712 -1.249 544 2HD2 LEU 66 2HD2 LEU 66 -7.444 8.355 -1.205 545 3HD2 LEU 66 3HD2 LEU 66 -6.858 10.009 -1.504 546 H SER 67 H SER 67 -5.009 7.149 -6.890 547 HA SER 67 HA SER 67 -3.160 5.628 -5.555 548 1HB SER 67 1HB SER 67 -2.581 7.449 -7.928 549 2HB SER 67 2HB SER 67 -1.719 5.987 -7.495 550 HG SER 67 HG SER 67 -4.228 6.299 -8.770 551 H ARG 68 H ARG 68 -0.608 6.846 -6.151 552 HA ARG 68 HA ARG 68 0.072 7.983 -3.882 553 1HB ARG 68 1HB ARG 68 1.687 7.433 -5.673 554 2HB ARG 68 2HB ARG 68 1.094 8.752 -6.662 555 1HG ARG 68 1HG ARG 68 2.039 10.413 -5.255 556 2HG ARG 68 2HG ARG 68 2.129 9.338 -3.875 557 1HD ARG 68 1HD ARG 68 3.702 8.337 -6.167 558 2HD ARG 68 2HD ARG 68 4.227 9.927 -5.649 559 HE ARG 68 HE ARG 68 3.821 8.125 -3.394 560 1HH1 ARG 68 1HH1 ARG 68 7.236 7.579 -2.922 561 2HH1 ARG 68 2HH1 ARG 68 5.656 7.411 -2.233 562 1HH2 ARG 68 1HH2 ARG 68 7.489 8.528 -5.025 563 2HH2 ARG 68 2HH2 ARG 68 6.098 9.069 -5.904 564 H LEU 69 H LEU 69 0.184 10.101 -2.937 565 HA LEU 69 HA LEU 69 -1.059 12.257 -4.458 566 1HB LEU 69 1HB LEU 69 -2.045 11.094 -1.876 567 2HB LEU 69 2HB LEU 69 -2.257 12.802 -2.206 568 HG LEU 69 HG LEU 69 -3.120 11.037 -4.405 569 1HD1 LEU 69 1HD1 LEU 69 -3.689 9.718 -2.318 570 2HD1 LEU 69 2HD1 LEU 69 -4.795 11.046 -1.889 571 3HD1 LEU 69 3HD1 LEU 69 -5.051 10.124 -3.390 572 1HD2 LEU 69 1HD2 LEU 69 -4.828 12.607 -4.669 573 2HD2 LEU 69 2HD2 LEU 69 -4.736 13.140 -2.973 574 3HD2 LEU 69 3HD2 LEU 69 -3.440 13.572 -4.113 575 HA PRO 70 HA PRO 70 2.060 14.572 -2.581 576 1HB PRO 70 1HB PRO 70 0.991 17.087 -2.496 577 2HB PRO 70 2HB PRO 70 1.670 16.382 -3.950 578 1HG PRO 70 1HG PRO 70 -1.171 16.788 -3.239 579 2HG PRO 70 2HG PRO 70 -0.465 16.493 -4.816 580 1HD PRO 70 1HD PRO 70 -1.871 14.599 -3.182 581 2HD PRO 70 2HD PRO 70 -1.067 14.276 -4.705 582 H TYR 71 H TYR 71 2.584 16.324 -0.807 583 HA TYR 71 HA TYR 71 0.766 16.165 1.404 584 1HB TYR 71 1HB TYR 71 2.035 13.940 1.375 585 2HB TYR 71 2HB TYR 71 3.545 14.826 1.398 586 HD1 TYR 71 1HD TYR 71 4.598 14.505 3.440 587 HD2 TYR 71 2HD TYR 71 0.375 15.186 3.384 588 HE1 TYR 71 1HE TYR 71 4.555 14.498 5.983 589 HE2 TYR 71 2HE TYR 71 0.346 15.178 5.926 590 HH TYR 71 HH TYR 71 1.891 14.059 7.737 591 H GLU 72 H GLU 72 1.827 17.247 3.412 592 HA GLU 72 HA GLU 72 4.113 18.799 2.986 593 1HB GLU 72 1HB GLU 72 1.915 19.896 1.709 594 2HB GLU 72 2HB GLU 72 1.852 20.702 3.263 595 1HG GLU 72 1HG GLU 72 3.388 22.136 2.368 596 2HG GLU 72 2HG GLU 72 4.552 20.871 2.704 597 HA PRO 73 HA PRO 73 3.076 18.266 7.281 598 1HB PRO 73 1HB PRO 73 5.636 17.940 8.179 599 2HB PRO 73 2HB PRO 73 4.629 16.607 7.652 600 1HG PRO 73 1HG PRO 73 6.893 17.886 6.247 601 2HG PRO 73 2HG PRO 73 6.160 16.322 5.952 602 1HD PRO 73 1HD PRO 73 5.787 18.710 4.407 603 2HD PRO 73 2HD PRO 73 4.968 17.178 4.182 604 H LYS 74 H LYS 74 5.946 20.118 6.361 605 HA LYS 74 HA LYS 74 6.553 22.181 6.862 606 1HB LYS 74 1HB LYS 74 4.021 22.521 6.181 607 2HB LYS 74 2HB LYS 74 3.829 22.923 7.876 608 1HG LYS 74 1HG LYS 74 5.402 24.739 7.741 609 2HG LYS 74 2HG LYS 74 6.033 24.187 6.202 610 1HD LYS 74 1HD LYS 74 3.097 24.785 6.268 611 2HD LYS 74 2HD LYS 74 4.161 26.168 6.447 612 1HE LYS 74 2HE LYS 74 5.147 25.861 4.316 613 2HE LYS 74 3HE LYS 74 4.721 24.164 4.246 614 1HZ LYS 74 1HZ LYS 74 3.145 26.451 3.565 615 2HZ LYS 74 2HZ LYS 74 3.063 24.922 2.997 616 3HZ LYS 74 3HZ LYS 74 2.331 25.310 4.405 617 H LEU 75 H LEU 75 7.117 23.606 8.713 618 HA LEU 75 HA LEU 75 7.425 24.048 10.889 619 1HB LEU 75 1HB LEU 75 5.106 22.857 11.146 620 2HB LEU 75 2HB LEU 75 6.065 21.533 11.778 621 HG LEU 75 HG LEU 75 6.635 24.199 12.950 622 1HD1 LEU 75 1HD1 LEU 75 4.391 23.177 14.383 623 2HD1 LEU 75 2HD1 LEU 75 4.584 24.751 13.576 624 3HD1 LEU 75 3HD1 LEU 75 3.928 23.364 12.675 625 1HD2 LEU 75 1HD2 LEU 75 5.981 21.875 14.649 626 2HD2 LEU 75 2HD2 LEU 75 7.359 21.648 13.544 627 3HD2 LEU 75 3HD2 LEU 75 7.362 22.998 14.705 628 H LYS 76 H LYS 76 9.474 23.837 11.613 629 HA LYS 76 HA LYS 76 10.958 21.517 10.838 630 1HB LYS 76 1HB LYS 76 12.017 23.657 10.658 631 2HB LYS 76 2HB LYS 76 11.662 24.056 12.327 632 1HG LYS 76 1HG LYS 76 13.869 23.344 12.548 633 2HG LYS 76 2HG LYS 76 13.034 21.833 12.851 634 1HD LYS 76 1HD LYS 76 13.426 21.044 10.601 635 2HD LYS 76 2HD LYS 76 13.915 22.633 10.048 636 1HE LYS 76 2HE LYS 76 15.955 21.400 10.337 637 2HE LYS 76 3HE LYS 76 15.875 22.497 11.702 638 1HZ LYS 76 1HZ LYS 76 15.680 20.803 13.095 639 2HZ LYS 76 2HZ LYS 76 14.582 20.007 12.186 640 3HZ LYS 76 3HZ LYS 76 16.177 19.843 11.870 Start of MODEL 11 1 H MET 1 H MET 1 18.317 6.529 12.050 2 HA MET 1 HA MET 1 15.482 6.327 11.391 3 1HB MET 1 1HB MET 1 17.497 4.281 12.471 4 2HB MET 1 2HB MET 1 15.779 3.951 12.351 5 1HG MET 1 1HG MET 1 16.445 3.107 10.292 6 2HG MET 1 2HG MET 1 16.144 4.765 9.813 7 1HE MET 1 1HE MET 1 18.570 2.267 11.191 8 2HE MET 1 2HE MET 1 20.185 2.793 10.659 9 3HE MET 1 3HE MET 1 19.402 3.589 12.044 10 H LEU 2 H LEU 2 17.636 5.394 14.176 11 HA LEU 2 HA LEU 2 17.505 5.838 16.339 12 1HB LEU 2 1HB LEU 2 16.200 8.124 15.142 13 2HB LEU 2 2HB LEU 2 15.466 7.733 16.685 14 HG LEU 2 HG LEU 2 17.186 9.359 17.041 15 1HD1 LEU 2 1HD1 LEU 2 17.298 6.717 18.215 16 2HD1 LEU 2 2HD1 LEU 2 18.901 7.490 18.227 17 3HD1 LEU 2 3HD1 LEU 2 17.511 8.313 18.973 18 1HD2 LEU 2 1HD2 LEU 2 18.458 8.827 14.944 19 2HD2 LEU 2 2HD2 LEU 2 19.466 9.136 16.377 20 3HD2 LEU 2 3HD2 LEU 2 19.207 7.468 15.816 21 H LYS 3 H LYS 3 15.363 6.263 18.098 22 HA LYS 3 HA LYS 3 13.656 5.247 19.063 23 1HB LYS 3 1HB LYS 3 12.882 4.336 16.276 24 2HB LYS 3 2HB LYS 3 11.861 4.258 17.697 25 1HG LYS 3 1HG LYS 3 11.743 6.651 17.887 26 2HG LYS 3 2HG LYS 3 13.102 6.889 16.805 27 1HD LYS 3 1HD LYS 3 11.570 5.642 15.033 28 2HD LYS 3 2HD LYS 3 10.264 6.072 16.121 29 1HE LYS 3 2HE LYS 3 12.242 8.211 15.292 30 2HE LYS 3 3HE LYS 3 10.994 7.727 14.161 31 1HZ LYS 3 1HZ LYS 3 10.539 8.690 16.900 32 2HZ LYS 3 2HZ LYS 3 10.245 9.521 15.526 33 3HZ LYS 3 3HZ LYS 3 9.363 8.194 15.882 34 H ASN 4 H ASN 4 13.287 3.279 20.149 35 HA ASN 4 HA ASN 4 15.290 1.311 19.528 36 1HB ASN 4 1HB ASN 4 14.815 0.418 21.749 37 2HB ASN 4 2HB ASN 4 14.876 2.162 21.896 38 1HD2 ASN 4 1HD2 ASN 4 13.147 3.279 22.551 39 2HD2 ASN 4 2HD2 ASN 4 11.601 2.607 22.947 40 H LEU 5 H LEU 5 14.768 -0.835 18.849 41 HA LEU 5 HA LEU 5 12.282 -2.025 19.126 42 1HB LEU 5 1HB LEU 5 11.447 -1.913 16.807 43 2HB LEU 5 2HB LEU 5 11.343 -0.399 17.685 44 HG LEU 5 HG LEU 5 12.048 -0.241 15.269 45 1HD1 LEU 5 1HD1 LEU 5 12.562 1.402 17.264 46 2HD1 LEU 5 2HD1 LEU 5 14.243 0.920 16.938 47 3HD1 LEU 5 3HD1 LEU 5 13.264 1.663 15.650 48 1HD2 LEU 5 1HD2 LEU 5 14.188 -0.881 14.545 49 2HD2 LEU 5 2HD2 LEU 5 14.759 -1.183 16.203 50 3HD2 LEU 5 3HD2 LEU 5 13.574 -2.281 15.456 51 H ALA 6 H ALA 6 12.140 -3.893 17.245 52 HA ALA 6 HA ALA 6 14.550 -5.345 17.620 53 1HB ALA 6 1HB ALA 6 13.304 -7.006 16.128 54 2HB ALA 6 2HB ALA 6 12.479 -6.538 17.634 55 3HB ALA 6 3HB ALA 6 11.974 -5.824 16.083 56 H LYS 7 H LYS 7 13.128 -5.615 14.428 57 HA LYS 7 HA LYS 7 14.732 -3.780 13.068 58 1HB LYS 7 1HB LYS 7 16.407 -5.588 14.066 59 2HB LYS 7 2HB LYS 7 15.891 -6.511 12.670 60 1HG LYS 7 1HG LYS 7 16.445 -4.518 11.205 61 2HG LYS 7 2HG LYS 7 17.065 -3.692 12.621 62 1HD LYS 7 1HD LYS 7 18.096 -6.426 11.751 63 2HD LYS 7 2HD LYS 7 18.794 -4.932 11.158 64 1HE LYS 7 2HE LYS 7 19.748 -4.389 13.207 65 2HE LYS 7 3HE LYS 7 18.461 -5.137 14.133 66 1HZ LYS 7 1HZ LYS 7 20.331 -6.745 12.557 67 2HZ LYS 7 2HZ LYS 7 20.672 -6.295 14.089 68 3HZ LYS 7 3HZ LYS 7 19.368 -7.229 13.784 69 H LEU 8 H LEU 8 13.593 -7.224 12.820 70 HA LEU 8 HA LEU 8 12.444 -8.243 11.215 71 1HB LEU 8 1HB LEU 8 10.759 -5.748 11.172 72 2HB LEU 8 2HB LEU 8 10.259 -7.397 10.852 73 HG LEU 8 HG LEU 8 11.359 -6.702 13.558 74 1HD1 LEU 8 1HD1 LEU 8 8.429 -6.479 13.291 75 2HD1 LEU 8 2HD1 LEU 8 9.576 -5.542 14.279 76 3HD1 LEU 8 3HD1 LEU 8 9.362 -5.153 12.555 77 1HD2 LEU 8 1HD2 LEU 8 10.640 -9.061 12.560 78 2HD2 LEU 8 2HD2 LEU 8 10.372 -8.628 14.265 79 3HD2 LEU 8 3HD2 LEU 8 9.035 -8.511 13.096 80 H ASP 9 H ASP 9 14.724 -7.405 10.088 81 HA ASP 9 HA ASP 9 15.715 -6.749 8.267 82 1HB ASP 9 1HB ASP 9 13.035 -7.382 6.941 83 2HB ASP 9 2HB ASP 9 14.580 -7.295 6.117 84 H GLN 10 H GLN 10 14.340 -4.632 9.774 85 HA GLN 10 HA GLN 10 13.408 -2.644 9.603 86 1HB GLN 10 1HB GLN 10 15.762 -2.212 9.026 87 2HB GLN 10 2HB GLN 10 15.439 -2.520 7.331 88 1HG GLN 10 1HG GLN 10 13.601 -0.501 8.441 89 2HG GLN 10 2HG GLN 10 15.278 -0.030 8.639 90 1HE2 GLN 10 1HE2 GLN 10 16.593 -0.910 6.541 91 2HE2 GLN 10 2HE2 GLN 10 15.988 -0.283 5.044 92 H THR 11 H THR 11 11.979 -4.742 8.046 93 HA THR 11 HA THR 11 10.868 -3.065 5.894 94 HB THR 11 HB THR 11 11.222 -6.066 6.283 95 HG1 THR 11 1HG THR 11 12.835 -4.762 5.153 96 1HG2 THR 11 1HG2 THR 11 9.115 -4.595 4.727 97 2HG2 THR 11 2HG2 THR 11 10.012 -5.851 3.841 98 3HG2 THR 11 3HG2 THR 11 9.115 -6.273 5.319 99 H GLU 12 H GLU 12 10.081 -5.224 8.668 100 HA GLU 12 HA GLU 12 7.314 -4.646 8.388 101 1HB GLU 12 1HB GLU 12 8.436 -6.783 9.363 102 2HB GLU 12 2HB GLU 12 8.644 -5.856 10.835 103 1HG GLU 12 1HG GLU 12 6.064 -5.313 10.548 104 2HG GLU 12 2HG GLU 12 6.065 -6.712 9.493 105 H MET 13 H MET 13 9.981 -2.907 9.550 106 HA MET 13 HA MET 13 8.637 -1.715 11.770 107 1HB MET 13 1HB MET 13 10.717 -0.440 12.004 108 2HB MET 13 2HB MET 13 11.161 -2.083 11.586 109 1HG MET 13 1HG MET 13 12.479 -0.928 10.050 110 2HG MET 13 2HG MET 13 11.038 -1.150 9.080 111 1HE MET 13 1HE MET 13 12.539 1.898 8.018 112 2HE MET 13 2HE MET 13 11.738 0.353 7.643 113 3HE MET 13 3HE MET 13 10.801 1.865 7.636 114 H ASP 14 H ASP 14 9.249 -1.016 8.325 115 HA ASP 14 HA ASP 14 8.592 1.690 8.457 116 1HB ASP 14 1HB ASP 14 9.777 0.400 6.568 117 2HB ASP 14 2HB ASP 14 8.197 -0.183 6.082 118 H LYS 15 H LYS 15 6.765 -1.366 8.119 119 HA LYS 15 HA LYS 15 4.321 -0.032 7.399 120 1HB LYS 15 1HB LYS 15 5.297 -2.818 7.640 121 2HB LYS 15 2HB LYS 15 3.604 -2.584 8.025 122 1HG LYS 15 1HG LYS 15 4.058 -3.065 5.575 123 2HG LYS 15 2HG LYS 15 3.143 -1.598 5.863 124 1HD LYS 15 1HD LYS 15 4.876 -1.113 4.213 125 2HD LYS 15 2HD LYS 15 5.266 -0.260 5.694 126 1HE LYS 15 2HE LYS 15 7.032 -1.746 6.247 127 2HE LYS 15 3HE LYS 15 6.400 -3.034 5.241 128 1HZ LYS 15 1HZ LYS 15 7.071 -1.906 3.323 129 2HZ LYS 15 2HZ LYS 15 7.357 -0.504 4.112 130 3HZ LYS 15 3HZ LYS 15 8.341 -1.786 4.344 131 H VAL 16 H VAL 16 5.861 -1.478 10.305 132 HA VAL 16 HA VAL 16 3.650 -1.403 11.972 133 HB VAL 16 HB VAL 16 6.532 -1.707 12.158 134 1HG1 VAL 16 1HG1 VAL 16 6.518 0.278 13.521 135 2HG1 VAL 16 2HG1 VAL 16 5.110 -0.304 14.443 136 3HG1 VAL 16 3HG1 VAL 16 6.678 -1.133 14.593 137 1HG2 VAL 16 1HG2 VAL 16 5.956 -3.404 13.764 138 2HG2 VAL 16 2HG2 VAL 16 4.324 -2.724 13.976 139 3HG2 VAL 16 3HG2 VAL 16 4.779 -3.481 12.430 140 H ASN 17 H ASN 17 5.387 1.168 10.458 141 HA ASN 17 HA ASN 17 4.720 3.045 12.528 142 1HB ASN 17 1HB ASN 17 6.858 3.366 11.369 143 2HB ASN 17 2HB ASN 17 6.079 3.313 9.799 144 1HD2 ASN 17 1HD2 ASN 17 4.438 4.970 9.342 145 2HD2 ASN 17 2HD2 ASN 17 4.674 6.581 9.934 146 H VAL 18 H VAL 18 4.032 2.408 9.007 147 HA VAL 18 HA VAL 18 2.139 4.443 8.706 148 HB VAL 18 HB VAL 18 2.393 1.818 7.226 149 1HG1 VAL 18 1HG1 VAL 18 0.291 3.212 6.880 150 2HG1 VAL 18 2HG1 VAL 18 1.347 4.457 6.171 151 3HG1 VAL 18 3HG1 VAL 18 1.243 2.846 5.422 152 1HG2 VAL 18 1HG2 VAL 18 4.159 2.619 6.044 153 2HG2 VAL 18 2HG2 VAL 18 3.586 4.304 6.119 154 3HG2 VAL 18 3HG2 VAL 18 4.419 3.584 7.517 155 H ASP 19 H ASP 19 2.060 1.529 10.527 156 HA ASP 19 HA ASP 19 -0.302 0.430 10.280 157 1HB ASP 19 1HB ASP 19 0.972 -0.336 12.100 158 2HB ASP 19 2HB ASP 19 1.257 1.280 12.717 159 H LEU 20 H LEU 20 0.377 3.747 11.395 160 HA LEU 20 HA LEU 20 -2.393 4.157 12.173 161 1HB LEU 20 1HB LEU 20 -0.061 5.049 13.219 162 2HB LEU 20 2HB LEU 20 -0.465 6.398 12.175 163 HG LEU 20 HG LEU 20 -2.707 5.445 13.841 164 1HD1 LEU 20 1HD1 LEU 20 -0.700 7.038 15.362 165 2HD1 LEU 20 2HD1 LEU 20 -1.932 5.888 15.933 166 3HD1 LEU 20 3HD1 LEU 20 -0.424 5.287 15.202 167 1HD2 LEU 20 1HD2 LEU 20 -1.909 7.793 12.463 168 2HD2 LEU 20 2HD2 LEU 20 -3.426 7.480 13.340 169 3HD2 LEU 20 3HD2 LEU 20 -2.040 8.206 14.189 170 H ALA 21 H ALA 21 0.040 5.303 9.756 171 HA ALA 21 HA ALA 21 -1.679 7.085 8.461 172 1HB ALA 21 1HB ALA 21 0.845 5.591 7.723 173 2HB ALA 21 2HB ALA 21 0.006 6.611 6.528 174 3HB ALA 21 3HB ALA 21 0.620 7.329 8.037 175 H ALA 22 H ALA 22 -1.744 3.655 8.709 176 HA ALA 22 HA ALA 22 -2.435 2.647 6.341 177 1HB ALA 22 1HB ALA 22 -2.932 2.068 9.108 178 2HB ALA 22 2HB ALA 22 -4.428 1.758 8.195 179 3HB ALA 22 3HB ALA 22 -2.914 0.947 7.725 180 H ALA 23 H ALA 23 -4.203 2.611 4.917 181 HA ALA 23 HA ALA 23 -6.025 4.863 5.276 182 1HB ALA 23 1HB ALA 23 -4.526 3.905 3.119 183 2HB ALA 23 2HB ALA 23 -6.188 3.380 2.757 184 3HB ALA 23 3HB ALA 23 -5.840 5.102 3.042 185 H GLY 24 H GLY 24 -8.011 3.695 3.410 186 1HA GLY 24 1HA GLY 24 -9.020 1.377 4.890 187 2HA GLY 24 2HA GLY 24 -9.987 2.839 4.894 188 H VAL 25 H VAL 25 -10.736 3.744 2.797 189 HA VAL 25 HA VAL 25 -10.961 1.606 0.796 190 HB VAL 25 HB VAL 25 -12.848 3.921 0.989 191 1HG1 VAL 25 1HG1 VAL 25 -13.540 2.726 -0.808 192 2HG1 VAL 25 2HG1 VAL 25 -12.763 1.224 -0.247 193 3HG1 VAL 25 3HG1 VAL 25 -14.333 1.721 0.430 194 1HG2 VAL 25 1HG2 VAL 25 -12.638 1.634 2.922 195 2HG2 VAL 25 2HG2 VAL 25 -13.072 3.336 3.210 196 3HG2 VAL 25 3HG2 VAL 25 -14.248 2.233 2.455 197 H ALA 26 H ALA 26 -9.785 4.802 1.546 198 HA ALA 26 HA ALA 26 -9.872 6.251 -0.671 199 1HB ALA 26 1HB ALA 26 -7.351 6.750 -0.120 200 2HB ALA 26 2HB ALA 26 -8.605 7.124 1.088 201 3HB ALA 26 3HB ALA 26 -7.625 5.648 1.250 202 H PHE 27 H PHE 27 -7.436 3.594 -0.171 203 HA PHE 27 HA PHE 27 -7.362 3.354 -3.096 204 1HB PHE 27 1HB PHE 27 -5.094 2.692 -1.150 205 2HB PHE 27 2HB PHE 27 -4.961 2.986 -2.873 206 HD1 PHE 27 1HD PHE 27 -3.863 4.297 -0.044 207 HD2 PHE 27 2HD PHE 27 -6.324 5.500 -3.285 208 HE1 PHE 27 1HE PHE 27 -3.289 6.698 0.412 209 HE2 PHE 27 2HE PHE 27 -5.749 7.901 -2.830 210 HZ PHE 27 HZ PHE 27 -4.239 8.471 -0.987 211 H LYS 28 H LYS 28 -9.266 1.893 -1.759 212 HA LYS 28 HA LYS 28 -8.149 -0.784 -1.994 213 1HB LYS 28 1HB LYS 28 -8.267 0.142 0.479 214 2HB LYS 28 2HB LYS 28 -9.971 -0.238 0.327 215 1HG LYS 28 1HG LYS 28 -8.730 -2.167 1.255 216 2HG LYS 28 2HG LYS 28 -9.428 -2.575 -0.299 217 1HD LYS 28 1HD LYS 28 -6.678 -1.425 -0.432 218 2HD LYS 28 2HD LYS 28 -6.783 -2.977 0.374 219 1HE LYS 28 2HE LYS 28 -8.389 -2.909 -2.102 220 2HE LYS 28 3HE LYS 28 -6.700 -2.553 -2.406 221 1HZ LYS 28 1HZ LYS 28 -7.743 -5.004 -2.048 222 2HZ LYS 28 2HZ LYS 28 -6.155 -4.635 -1.961 223 3HZ LYS 28 3HZ LYS 28 -7.049 -4.714 -0.598 224 H GLU 29 H GLU 29 -9.603 0.718 -3.901 225 HA GLU 29 HA GLU 29 -12.344 -0.070 -3.599 226 1HB GLU 29 1HB GLU 29 -12.200 0.908 -6.140 227 2HB GLU 29 2HB GLU 29 -12.413 1.918 -4.724 228 1HG GLU 29 1HG GLU 29 -10.056 2.444 -4.618 229 2HG GLU 29 2HG GLU 29 -9.645 1.176 -5.755 230 H ARG 30 H ARG 30 -9.609 -1.752 -4.290 231 HA ARG 30 HA ARG 30 -9.679 -2.951 -6.598 232 1HB ARG 30 1HB ARG 30 -9.052 -3.812 -3.855 233 2HB ARG 30 2HB ARG 30 -9.567 -5.172 -4.835 234 1HG ARG 30 1HG ARG 30 -7.806 -3.606 -6.469 235 2HG ARG 30 2HG ARG 30 -7.040 -3.744 -4.899 236 1HD ARG 30 1HD ARG 30 -6.303 -5.767 -5.696 237 2HD ARG 30 2HD ARG 30 -7.895 -6.331 -5.231 238 HE ARG 30 HE ARG 30 -8.537 -6.403 -7.502 239 1HH1 ARG 30 1HH1 ARG 30 -6.627 -5.718 -10.342 240 2HH1 ARG 30 2HH1 ARG 30 -8.098 -6.411 -9.745 241 1HH2 ARG 30 1HH2 ARG 30 -5.103 -4.781 -8.863 242 2HH2 ARG 30 2HH2 ARG 30 -5.435 -4.776 -7.164 243 H TYR 31 H TYR 31 -11.309 -4.858 -3.999 244 HA TYR 31 HA TYR 31 -12.923 -6.336 -5.591 245 1HB TYR 31 1HB TYR 31 -14.453 -6.052 -3.361 246 2HB TYR 31 2HB TYR 31 -12.922 -6.901 -3.287 247 HD1 TYR 31 1HD TYR 31 -11.052 -6.006 -2.065 248 HD2 TYR 31 2HD TYR 31 -14.616 -3.689 -2.555 249 HE1 TYR 31 1HE TYR 31 -10.236 -4.365 -0.303 250 HE2 TYR 31 2HE TYR 31 -13.787 -2.055 -0.792 251 HH TYR 31 HH TYR 31 -11.629 -1.338 0.121 252 H ASN 32 H ASN 32 -13.189 -2.912 -4.935 253 HA ASN 32 HA ASN 32 -14.562 -1.391 -5.647 254 1HB ASN 32 1HB ASN 32 -14.538 -2.400 -7.870 255 2HB ASN 32 2HB ASN 32 -15.639 -3.671 -7.377 256 1HD2 ASN 32 1HD2 ASN 32 -17.273 -3.305 -8.746 257 2HD2 ASN 32 2HD2 ASN 32 -18.251 -1.875 -8.788 258 H MET 33 H MET 33 -15.264 -2.023 -3.212 259 HA MET 33 HA MET 33 -17.850 -3.238 -3.082 260 1HB MET 33 1HB MET 33 -15.640 -2.550 -1.277 261 2HB MET 33 2HB MET 33 -17.153 -1.988 -0.595 262 1HG MET 33 1HG MET 33 -16.534 -4.366 0.057 263 2HG MET 33 2HG MET 33 -18.123 -4.210 -0.666 264 1HE MET 33 1HE MET 33 -17.864 -7.160 -2.853 265 2HE MET 33 2HE MET 33 -18.175 -6.742 -1.150 266 3HE MET 33 3HE MET 33 -18.897 -5.767 -2.452 267 HA PRO 34 HA PRO 34 -20.210 0.398 -2.749 268 1HB PRO 34 1HB PRO 34 -21.901 0.022 -0.635 269 2HB PRO 34 2HB PRO 34 -22.151 -0.716 -2.205 270 1HG PRO 34 1HG PRO 34 -21.182 -1.961 0.295 271 2HG PRO 34 2HG PRO 34 -21.834 -2.734 -1.135 272 1HD PRO 34 1HD PRO 34 -19.072 -2.582 -0.375 273 2HD PRO 34 2HD PRO 34 -19.715 -3.253 -1.861 274 H VAL 35 H VAL 35 -21.207 2.192 -1.161 275 HA VAL 35 HA VAL 35 -18.892 3.443 -0.153 276 HB VAL 35 HB VAL 35 -21.813 4.069 0.317 277 1HG1 VAL 35 1HG1 VAL 35 -21.169 5.899 1.426 278 2HG1 VAL 35 2HG1 VAL 35 -19.522 5.223 1.449 279 3HG1 VAL 35 3HG1 VAL 35 -20.007 6.339 0.150 280 1HG2 VAL 35 1HG2 VAL 35 -20.821 3.848 -2.128 281 2HG2 VAL 35 2HG2 VAL 35 -21.913 5.186 -1.693 282 3HG2 VAL 35 3HG2 VAL 35 -20.154 5.457 -1.759 283 H ILE 36 H ILE 36 -18.462 1.206 1.091 284 HA ILE 36 HA ILE 36 -19.263 1.766 3.845 285 HB ILE 36 HB ILE 36 -20.000 -0.552 2.250 286 1HG1 ILE 36 1HG1 ILE 36 -20.834 0.190 5.060 287 2HG1 ILE 36 2HG1 ILE 36 -21.455 1.016 3.645 288 1HG2 ILE 36 1HG2 ILE 36 -18.181 -1.715 3.214 289 2HG2 ILE 36 2HG2 ILE 36 -18.457 -0.983 4.812 290 3HG2 ILE 36 3HG2 ILE 36 -19.616 -2.168 4.164 291 1HD1 ILE 36 1HD1 ILE 36 -22.684 -0.816 2.930 292 2HD1 ILE 36 2HD1 ILE 36 -21.523 -1.988 3.597 293 3HD1 ILE 36 3HD1 ILE 36 -22.669 -1.157 4.677 294 H ALA 37 H ALA 37 -17.724 0.939 5.444 295 HA ALA 37 HA ALA 37 -15.058 0.687 4.242 296 1HB ALA 37 1HB ALA 37 -15.943 2.555 5.993 297 2HB ALA 37 2HB ALA 37 -15.410 1.304 7.140 298 3HB ALA 37 3HB ALA 37 -14.261 1.975 5.959 299 H GLU 38 H GLU 38 -17.424 -0.701 6.548 300 HA GLU 38 HA GLU 38 -15.741 -2.565 7.683 301 1HB GLU 38 1HB GLU 38 -18.158 -1.863 8.323 302 2HB GLU 38 2HB GLU 38 -18.693 -3.042 7.142 303 1HG GLU 38 1HG GLU 38 -18.635 -4.398 9.029 304 2HG GLU 38 2HG GLU 38 -17.003 -4.654 8.444 305 H ALA 39 H ALA 39 -16.917 -2.302 4.449 306 HA ALA 39 HA ALA 39 -16.552 -5.167 3.975 307 1HB ALA 39 1HB ALA 39 -17.867 -4.882 2.058 308 2HB ALA 39 2HB ALA 39 -18.604 -3.735 3.202 309 3HB ALA 39 3HB ALA 39 -17.497 -3.144 1.939 310 H VAL 40 H VAL 40 -14.767 -2.324 4.112 311 HA VAL 40 HA VAL 40 -13.205 -2.806 1.732 312 HB VAL 40 HB VAL 40 -13.585 -0.695 3.711 313 1HG1 VAL 40 1HG1 VAL 40 -11.337 0.237 3.629 314 2HG1 VAL 40 2HG1 VAL 40 -11.295 -1.387 4.355 315 3HG1 VAL 40 3HG1 VAL 40 -10.768 -1.152 2.672 316 1HG2 VAL 40 1HG2 VAL 40 -13.449 -1.050 0.870 317 2HG2 VAL 40 2HG2 VAL 40 -14.002 0.365 1.796 318 3HG2 VAL 40 3HG2 VAL 40 -12.286 0.212 1.345 319 H GLU 41 H GLU 41 -13.057 -3.341 5.272 320 HA GLU 41 HA GLU 41 -10.366 -4.292 5.062 321 1HB GLU 41 1HB GLU 41 -12.093 -3.345 7.153 322 2HB GLU 41 2HB GLU 41 -11.592 -4.967 7.588 323 1HG GLU 41 1HG GLU 41 -9.237 -4.387 7.399 324 2HG GLU 41 2HG GLU 41 -9.611 -2.846 6.652 325 H ARG 42 H ARG 42 -13.693 -5.586 5.343 326 HA ARG 42 HA ARG 42 -12.953 -8.188 5.938 327 1HB ARG 42 1HB ARG 42 -15.236 -8.708 5.624 328 2HB ARG 42 2HB ARG 42 -15.303 -6.993 5.974 329 1HG ARG 42 1HG ARG 42 -16.650 -7.141 4.053 330 2HG ARG 42 2HG ARG 42 -15.106 -6.679 3.368 331 1HD ARG 42 1HD ARG 42 -14.852 -8.680 2.278 332 2HD ARG 42 2HD ARG 42 -15.386 -9.612 3.662 333 HE ARG 42 HE ARG 42 -17.001 -8.886 1.411 334 1HH1 ARG 42 1HH1 ARG 42 -20.086 -9.475 2.934 335 2HH1 ARG 42 2HH1 ARG 42 -19.256 -9.258 1.429 336 1HH2 ARG 42 1HH2 ARG 42 -18.907 -9.389 4.931 337 2HH2 ARG 42 2HH2 ARG 42 -17.198 -9.107 4.917 338 H GLU 43 H GLU 43 -13.210 -6.338 2.895 339 HA GLU 43 HA GLU 43 -13.100 -8.631 1.244 340 1HB GLU 43 1HB GLU 43 -12.698 -5.661 0.707 341 2HB GLU 43 2HB GLU 43 -12.615 -6.869 -0.560 342 1HG GLU 43 1HG GLU 43 -15.021 -6.758 1.289 343 2HG GLU 43 2HG GLU 43 -14.911 -5.669 -0.080 344 H GLN 44 H GLN 44 -10.757 -5.864 1.248 345 HA GLN 44 HA GLN 44 -8.603 -7.579 1.910 346 1HB GLN 44 1HB GLN 44 -9.316 -7.577 -0.798 347 2HB GLN 44 2HB GLN 44 -8.005 -6.415 -0.731 348 1HG GLN 44 1HG GLN 44 -7.192 -8.597 0.919 349 2HG GLN 44 2HG GLN 44 -7.889 -9.322 -0.516 350 1HE2 GLN 44 1HE2 GLN 44 -5.161 -9.369 0.277 351 2HE2 GLN 44 2HE2 GLN 44 -4.211 -8.582 -0.940 352 HA PRO 45 HA PRO 45 -7.812 -3.342 3.002 353 1HB PRO 45 1HB PRO 45 -6.439 -3.868 5.306 354 2HB PRO 45 2HB PRO 45 -8.177 -3.656 5.253 355 1HG PRO 45 1HG PRO 45 -6.622 -6.154 5.544 356 2HG PRO 45 2HG PRO 45 -8.312 -5.863 5.909 357 1HD PRO 45 1HD PRO 45 -7.262 -7.232 3.617 358 2HD PRO 45 2HD PRO 45 -8.942 -6.840 3.925 359 H GLU 46 H GLU 46 -6.266 -2.002 2.273 360 HA GLU 46 HA GLU 46 -4.134 -3.151 0.961 361 1HB GLU 46 1HB GLU 46 -3.227 -0.735 0.986 362 2HB GLU 46 2HB GLU 46 -4.802 -0.985 0.260 363 1HG GLU 46 1HG GLU 46 -5.015 -0.499 3.155 364 2HG GLU 46 2HG GLU 46 -4.181 0.812 2.343 365 H HIS 47 H HIS 47 -4.477 -1.889 4.297 366 HA HIS 47 HA HIS 47 -1.773 -1.808 4.926 367 1HB HIS 47 1HB HIS 47 -2.453 -1.421 7.093 368 2HB HIS 47 2HB HIS 47 -3.850 -0.897 6.175 369 HD1 HIS 47 1HD HIS 47 -6.037 -2.292 6.385 370 HD2 HIS 47 2HD HIS 47 -2.822 -3.791 8.625 371 HE1 HIS 47 1HE HIS 47 -7.019 -4.036 7.968 372 H LEU 48 H LEU 48 -3.897 -4.472 4.275 373 HA LEU 48 HA LEU 48 -2.338 -6.339 5.839 374 1HB LEU 48 1HB LEU 48 -4.937 -6.271 4.535 375 2HB LEU 48 2HB LEU 48 -4.069 -7.751 4.181 376 HG LEU 48 HG LEU 48 -5.449 -8.137 6.088 377 1HD1 LEU 48 1HD1 LEU 48 -3.894 -9.368 7.087 378 2HD1 LEU 48 2HD1 LEU 48 -2.677 -8.513 6.109 379 3HD1 LEU 48 3HD1 LEU 48 -3.082 -7.926 7.740 380 1HD2 LEU 48 1HD2 LEU 48 -6.033 -6.537 7.504 381 2HD2 LEU 48 2HD2 LEU 48 -4.359 -6.418 8.094 382 3HD2 LEU 48 3HD2 LEU 48 -4.888 -5.425 6.714 383 H ARG 49 H ARG 49 -3.224 -5.953 2.331 384 HA ARG 49 HA ARG 49 -1.449 -7.791 1.407 385 1HB ARG 49 1HB ARG 49 -1.574 -6.460 -0.773 386 2HB ARG 49 2HB ARG 49 -3.129 -6.870 -0.075 387 1HG ARG 49 1HG ARG 49 -3.556 -4.632 -0.374 388 2HG ARG 49 2HG ARG 49 -2.725 -4.474 1.161 389 1HD ARG 49 1HD ARG 49 -0.600 -4.506 -0.644 390 2HD ARG 49 2HD ARG 49 -1.838 -3.662 -1.554 391 HE ARG 49 HE ARG 49 -1.489 -2.740 1.229 392 1HH1 ARG 49 1HH1 ARG 49 -0.228 0.337 0.172 393 2HH1 ARG 49 2HH1 ARG 49 -0.818 -0.575 1.521 394 1HH2 ARG 49 1HH2 ARG 49 -0.118 -0.638 -1.931 395 2HH2 ARG 49 2HH2 ARG 49 -0.628 -2.279 -2.152 396 H SER 50 H SER 50 -0.946 -4.432 2.467 397 HA SER 50 HA SER 50 1.614 -4.224 1.264 398 1HB SER 50 1HB SER 50 0.662 -2.124 1.553 399 2HB SER 50 2HB SER 50 -0.098 -2.552 3.074 400 HG SER 50 HG SER 50 2.758 -2.207 2.743 401 H TRP 51 H TRP 51 0.254 -5.087 4.473 402 HA TRP 51 HA TRP 51 2.853 -5.205 5.698 403 1HB TRP 51 1HB TRP 51 0.031 -5.680 6.568 404 2HB TRP 51 2HB TRP 51 1.339 -6.358 7.517 405 HD1 TRP 51 HD TRP 51 1.949 -4.758 9.477 406 HE1 TRP 51 1HE TRP 51 2.059 -2.168 9.970 407 HE3 TRP 51 3HE TRP 51 0.396 -3.283 4.865 408 HZ2 TRP 51 2HZ TRP 51 1.496 0.155 8.411 409 HZ3 TRP 51 3HZ TRP 51 0.204 -0.836 4.434 410 HH2 TRP 51 HH TRP 51 0.724 0.860 6.116 411 H PHE 52 H PHE 52 1.249 -7.035 3.400 412 HA PHE 52 HA PHE 52 2.336 -9.549 4.448 413 1HB PHE 52 1HB PHE 52 -0.004 -8.659 2.759 414 2HB PHE 52 2HB PHE 52 0.742 -10.166 2.265 415 HD1 PHE 52 1HD PHE 52 1.482 -11.308 4.909 416 HD2 PHE 52 2HD PHE 52 -2.052 -9.325 3.648 417 HE1 PHE 52 1HE PHE 52 0.169 -12.534 6.662 418 HE2 PHE 52 2HE PHE 52 -3.365 -10.551 5.403 419 HZ PHE 52 HZ PHE 52 -2.239 -12.140 6.888 420 H ARG 53 H ARG 53 2.041 -7.450 1.517 421 HA ARG 53 HA ARG 53 3.978 -9.107 0.196 422 1HB ARG 53 1HB ARG 53 1.813 -7.578 -0.690 423 2HB ARG 53 2HB ARG 53 3.178 -6.569 -1.125 424 1HG ARG 53 1HG ARG 53 3.581 -7.898 -2.914 425 2HG ARG 53 2HG ARG 53 3.912 -9.239 -1.836 426 1HD ARG 53 1HD ARG 53 1.227 -8.466 -3.057 427 2HD ARG 53 2HD ARG 53 2.130 -9.944 -3.322 428 HE ARG 53 HE ARG 53 1.384 -9.455 -0.514 429 1HH1 ARG 53 1HH1 ARG 53 -0.887 -12.105 -0.519 430 2HH1 ARG 53 2HH1 ARG 53 -0.034 -10.959 0.460 431 1HH2 ARG 53 1HH2 ARG 53 -0.589 -12.113 -2.821 432 2HH2 ARG 53 2HH2 ARG 53 0.486 -10.974 -3.559 433 H GLU 54 H GLU 54 4.127 -6.753 2.512 434 HA GLU 54 HA GLU 54 5.609 -4.711 1.794 435 1HB GLU 54 1HB GLU 54 6.347 -4.577 4.008 436 2HB GLU 54 2HB GLU 54 4.971 -5.650 4.164 437 1HG GLU 54 1HG GLU 54 7.851 -6.612 3.828 438 2HG GLU 54 2HG GLU 54 7.050 -6.447 5.378 439 H ARG 55 H ARG 55 6.674 -8.111 1.784 440 HA ARG 55 HA ARG 55 9.361 -7.779 1.703 441 1HB ARG 55 1HB ARG 55 7.412 -9.809 0.718 442 2HB ARG 55 2HB ARG 55 8.960 -9.854 -0.103 443 1HG ARG 55 1HG ARG 55 10.122 -9.978 2.120 444 2HG ARG 55 2HG ARG 55 8.567 -9.961 2.927 445 1HD ARG 55 1HD ARG 55 9.245 -12.062 0.826 446 2HD ARG 55 2HD ARG 55 9.678 -12.278 2.510 447 HE ARG 55 HE ARG 55 7.010 -12.489 1.371 448 1HH1 ARG 55 1HH1 ARG 55 5.436 -12.796 4.471 449 2HH1 ARG 55 2HH1 ARG 55 5.262 -12.983 2.757 450 1HH2 ARG 55 1HH2 ARG 55 7.444 -12.041 5.357 451 2HH2 ARG 55 2HH2 ARG 55 8.770 -11.667 4.305 452 H LEU 56 H LEU 56 7.037 -7.876 -1.099 453 HA LEU 56 HA LEU 56 9.083 -6.459 -2.662 454 1HB LEU 56 1HB LEU 56 7.484 -8.861 -3.252 455 2HB LEU 56 2HB LEU 56 7.502 -7.662 -4.530 456 HG LEU 56 HG LEU 56 10.168 -8.228 -3.421 457 1HD1 LEU 56 1HD1 LEU 56 9.738 -10.452 -3.179 458 2HD1 LEU 56 2HD1 LEU 56 8.431 -10.453 -4.387 459 3HD1 LEU 56 3HD1 LEU 56 10.131 -10.424 -4.915 460 1HD2 LEU 56 1HD2 LEU 56 9.041 -7.209 -5.781 461 2HD2 LEU 56 2HD2 LEU 56 10.764 -7.482 -5.425 462 3HD2 LEU 56 3HD2 LEU 56 9.813 -8.745 -6.242 463 H ILE 57 H ILE 57 7.908 -4.633 -1.393 464 HA ILE 57 HA ILE 57 5.264 -4.004 -1.979 465 HB ILE 57 HB ILE 57 6.705 -3.082 -0.161 466 1HG1 ILE 57 1HG1 ILE 57 5.775 -0.641 -0.579 467 2HG1 ILE 57 2HG1 ILE 57 4.949 -1.406 -1.922 468 1HG2 ILE 57 1HG2 ILE 57 8.047 -1.058 -0.690 469 2HG2 ILE 57 2HG2 ILE 57 8.712 -2.558 -1.380 470 3HG2 ILE 57 3HG2 ILE 57 7.835 -1.411 -2.421 471 1HD1 ILE 57 1HD1 ILE 57 4.767 -2.176 1.024 472 2HD1 ILE 57 2HD1 ILE 57 3.472 -1.521 -0.007 473 3HD1 ILE 57 3HD1 ILE 57 4.087 -3.167 -0.291 474 H ALA 58 H ALA 58 8.335 -3.348 -3.717 475 HA ALA 58 HA ALA 58 8.744 -2.548 -5.739 476 1HB ALA 58 1HB ALA 58 6.308 -2.922 -7.148 477 2HB ALA 58 2HB ALA 58 7.729 -3.992 -7.127 478 3HB ALA 58 3HB ALA 58 6.410 -4.241 -5.957 479 H HIS 59 H HIS 59 7.418 -1.099 -7.657 480 HA HIS 59 HA HIS 59 7.284 1.409 -6.500 481 1HB HIS 59 1HB HIS 59 6.353 0.320 -9.160 482 2HB HIS 59 2HB HIS 59 6.186 2.014 -8.744 483 HD1 HIS 59 1HD HIS 59 8.140 0.554 -10.959 484 HD2 HIS 59 2HD HIS 59 9.221 2.348 -7.325 485 HE1 HIS 59 1HE HIS 59 10.599 1.198 -11.184 486 H ARG 60 H ARG 60 5.814 2.125 -5.043 487 HA ARG 60 HA ARG 60 3.165 0.996 -5.191 488 1HB ARG 60 1HB ARG 60 2.850 2.004 -2.945 489 2HB ARG 60 2HB ARG 60 4.320 1.052 -2.984 490 1HG ARG 60 1HG ARG 60 5.656 3.134 -3.378 491 2HG ARG 60 2HG ARG 60 4.185 4.085 -3.336 492 1HD ARG 60 1HD ARG 60 3.760 3.205 -0.982 493 2HD ARG 60 2HD ARG 60 5.329 2.426 -1.039 494 HE ARG 60 HE ARG 60 6.378 4.526 -0.821 495 1HH1 ARG 60 1HH1 ARG 60 4.943 7.691 -0.501 496 2HH1 ARG 60 2HH1 ARG 60 6.401 6.766 -0.369 497 1HH2 ARG 60 1HH2 ARG 60 2.966 6.655 -1.136 498 2HH2 ARG 60 2HH2 ARG 60 2.948 4.957 -1.479 499 H LEU 61 H LEU 61 1.284 2.256 -5.586 500 HA LEU 61 HA LEU 61 1.719 5.113 -6.036 501 1HB LEU 61 1HB LEU 61 1.805 3.571 -8.148 502 2HB LEU 61 2HB LEU 61 0.064 3.523 -7.960 503 HG LEU 61 HG LEU 61 1.103 6.252 -7.830 504 1HD1 LEU 61 1HD1 LEU 61 1.558 6.324 -10.337 505 2HD1 LEU 61 2HD1 LEU 61 2.828 5.627 -9.302 506 3HD1 LEU 61 3HD1 LEU 61 1.759 4.558 -10.241 507 1HD2 LEU 61 1HD2 LEU 61 -0.828 5.074 -9.830 508 2HD2 LEU 61 2HD2 LEU 61 -1.290 5.431 -8.148 509 3HD2 LEU 61 3HD2 LEU 61 -0.733 6.743 -9.215 510 H ALA 62 H ALA 62 -0.624 6.140 -6.455 511 HA ALA 62 HA ALA 62 -2.869 4.903 -5.408 512 1HB ALA 62 1HB ALA 62 -1.070 5.279 -3.371 513 2HB ALA 62 2HB ALA 62 -2.005 6.791 -3.293 514 3HB ALA 62 3HB ALA 62 -2.836 5.222 -3.159 515 H SER 63 H SER 63 -4.093 5.999 -6.895 516 HA SER 63 HA SER 63 -4.134 8.879 -6.544 517 1HB SER 63 1HB SER 63 -2.847 7.841 -8.692 518 2HB SER 63 2HB SER 63 -4.476 7.832 -9.337 519 HG SER 63 HG SER 63 -4.177 10.225 -8.158 520 H VAL 64 H VAL 64 -6.057 8.118 -5.220 521 HA VAL 64 HA VAL 64 -8.350 7.690 -7.004 522 HB VAL 64 HB VAL 64 -7.788 6.451 -4.305 523 1HG1 VAL 64 1HG1 VAL 64 -9.989 6.316 -3.977 524 2HG1 VAL 64 2HG1 VAL 64 -10.307 7.104 -5.541 525 3HG1 VAL 64 3HG1 VAL 64 -10.122 5.336 -5.457 526 1HG2 VAL 64 1HG2 VAL 64 -6.696 5.047 -5.749 527 2HG2 VAL 64 2HG2 VAL 64 -8.336 4.360 -5.861 528 3HG2 VAL 64 3HG2 VAL 64 -7.745 5.463 -7.127 529 H ASN 65 H ASN 65 -8.890 7.884 -3.575 530 HA ASN 65 HA ASN 65 -10.363 10.234 -3.899 531 1HB ASN 65 1HB ASN 65 -9.668 8.347 -1.703 532 2HB ASN 65 2HB ASN 65 -9.920 9.990 -1.146 533 1HD2 ASN 65 1HD2 ASN 65 -11.607 8.137 -0.276 534 2HD2 ASN 65 2HD2 ASN 65 -13.174 8.267 -1.002 535 H LEU 66 H LEU 66 -7.665 9.618 -1.526 536 HA LEU 66 HA LEU 66 -5.774 10.770 -1.161 537 1HB LEU 66 1HB LEU 66 -6.060 11.498 -3.643 538 2HB LEU 66 2HB LEU 66 -6.624 13.011 -2.965 539 HG LEU 66 HG LEU 66 -4.206 12.381 -1.620 540 1HD1 LEU 66 1HD1 LEU 66 -3.707 10.805 -3.429 541 2HD1 LEU 66 2HD1 LEU 66 -3.929 12.104 -4.626 542 3HD1 LEU 66 3HD1 LEU 66 -2.599 12.199 -3.446 543 1HD2 LEU 66 1HD2 LEU 66 -4.235 14.378 -3.831 544 2HD2 LEU 66 2HD2 LEU 66 -5.397 14.595 -2.500 545 3HD2 LEU 66 3HD2 LEU 66 -3.652 14.521 -2.156 546 H SER 67 H SER 67 -8.768 12.767 -1.554 547 HA SER 67 HA SER 67 -9.812 14.087 -0.184 548 1HB SER 67 1HB SER 67 -8.166 12.969 2.121 549 2HB SER 67 2HB SER 67 -9.756 13.699 2.211 550 HG SER 67 HG SER 67 -10.627 11.795 1.797 551 H ARG 68 H ARG 68 -9.244 15.758 1.903 552 HA ARG 68 HA ARG 68 -6.854 17.113 0.946 553 1HB ARG 68 1HB ARG 68 -9.113 18.275 0.635 554 2HB ARG 68 2HB ARG 68 -9.255 18.351 2.379 555 1HG ARG 68 1HG ARG 68 -8.083 20.291 2.325 556 2HG ARG 68 2HG ARG 68 -6.671 19.364 1.856 557 1HD ARG 68 1HD ARG 68 -8.173 19.627 -0.534 558 2HD ARG 68 2HD ARG 68 -8.304 21.193 0.241 559 HE ARG 68 HE ARG 68 -5.589 20.469 0.452 560 1HH1 ARG 68 1HH1 ARG 68 -4.462 21.668 -2.626 561 2HH1 ARG 68 2HH1 ARG 68 -4.001 21.180 -1.028 562 1HH2 ARG 68 1HH2 ARG 68 -6.693 21.598 -3.261 563 2HH2 ARG 68 2HH2 ARG 68 -7.897 21.058 -2.138 564 H LEU 69 H LEU 69 -5.365 17.974 2.514 565 HA LEU 69 HA LEU 69 -5.206 16.524 4.911 566 1HB LEU 69 1HB LEU 69 -3.146 17.370 5.037 567 2HB LEU 69 2HB LEU 69 -3.455 17.837 3.377 568 HG LEU 69 HG LEU 69 -3.989 19.693 5.703 569 1HD1 LEU 69 1HD1 LEU 69 -1.840 20.262 5.908 570 2HD1 LEU 69 2HD1 LEU 69 -1.482 18.729 5.078 571 3HD1 LEU 69 3HD1 LEU 69 -1.570 20.244 4.150 572 1HD2 LEU 69 1HD2 LEU 69 -5.050 20.082 3.422 573 2HD2 LEU 69 2HD2 LEU 69 -4.100 21.422 4.108 574 3HD2 LEU 69 3HD2 LEU 69 -3.404 20.402 2.826 575 HA PRO 70 HA PRO 70 -7.824 18.964 7.363 576 1HB PRO 70 1HB PRO 70 -7.369 17.748 9.767 577 2HB PRO 70 2HB PRO 70 -8.500 17.130 8.580 578 1HG PRO 70 1HG PRO 70 -5.808 16.124 9.275 579 2HG PRO 70 2HG PRO 70 -7.103 15.302 8.425 580 1HD PRO 70 1HD PRO 70 -4.745 16.449 7.263 581 2HD PRO 70 2HD PRO 70 -6.093 15.730 6.405 582 H TYR 71 H TYR 71 -7.543 19.754 9.975 583 HA TYR 71 HA TYR 71 -5.246 21.548 9.640 584 1HB TYR 71 1HB TYR 71 -8.046 21.762 10.366 585 2HB TYR 71 2HB TYR 71 -7.137 22.106 11.824 586 HD1 TYR 71 1HD TYR 71 -5.314 23.931 11.701 587 HD2 TYR 71 2HD TYR 71 -8.329 23.415 8.711 588 HE1 TYR 71 1HE TYR 71 -4.927 26.309 10.890 589 HE2 TYR 71 2HE TYR 71 -7.933 25.796 7.910 590 HH TYR 71 HH TYR 71 -7.043 27.950 9.044 591 H GLU 72 H GLU 72 -7.110 19.878 12.285 592 HA GLU 72 HA GLU 72 -6.477 18.971 14.153 593 1HB GLU 72 1HB GLU 72 -5.081 17.551 12.604 594 2HB GLU 72 2HB GLU 72 -3.728 18.630 12.877 595 1HG GLU 72 1HG GLU 72 -3.300 16.993 14.488 596 2HG GLU 72 2HG GLU 72 -4.203 18.152 15.442 597 HA PRO 73 HA PRO 73 -4.537 22.792 15.590 598 1HB PRO 73 1HB PRO 73 -6.538 23.585 17.275 599 2HB PRO 73 2HB PRO 73 -6.413 24.126 15.613 600 1HG PRO 73 1HG PRO 73 -8.270 22.145 16.784 601 2HG PRO 73 2HG PRO 73 -8.397 23.003 15.261 602 1HD PRO 73 1HD PRO 73 -7.610 20.270 15.630 603 2HD PRO 73 2HD PRO 73 -7.626 21.161 14.121 604 H LYS 74 H LYS 74 -4.263 23.643 18.002 605 HA LYS 74 HA LYS 74 -4.518 21.862 20.066 606 1HB LYS 74 1HB LYS 74 -2.699 20.797 18.247 607 2HB LYS 74 2HB LYS 74 -1.675 21.538 19.460 608 1HG LYS 74 1HG LYS 74 -3.830 20.212 20.842 609 2HG LYS 74 2HG LYS 74 -3.202 19.090 19.650 610 1HD LYS 74 1HD LYS 74 -1.546 18.634 21.142 611 2HD LYS 74 2HD LYS 74 -0.869 20.193 20.718 612 1HE LYS 74 2HE LYS 74 -1.710 21.247 22.636 613 2HE LYS 74 3HE LYS 74 -3.070 20.151 22.777 614 1HZ LYS 74 1HZ LYS 74 -0.384 19.842 23.743 615 2HZ LYS 74 2HZ LYS 74 -1.786 19.278 24.362 616 3HZ LYS 74 3HZ LYS 74 -1.059 18.485 23.134 617 H LEU 75 H LEU 75 -3.629 22.724 22.013 618 HA LEU 75 HA LEU 75 -1.671 24.671 22.116 619 1HB LEU 75 1HB LEU 75 -3.781 25.762 20.836 620 2HB LEU 75 2HB LEU 75 -4.227 26.117 22.492 621 HG LEU 75 HG LEU 75 -2.998 27.952 21.362 622 1HD1 LEU 75 1HD1 LEU 75 -2.317 26.745 23.940 623 2HD1 LEU 75 2HD1 LEU 75 -1.038 27.801 23.294 624 3HD1 LEU 75 3HD1 LEU 75 -2.686 28.435 23.519 625 1HD2 LEU 75 1HD2 LEU 75 -0.423 26.460 21.602 626 2HD2 LEU 75 2HD2 LEU 75 -1.457 26.146 20.187 627 3HD2 LEU 75 3HD2 LEU 75 -0.883 27.797 20.520 628 H LYS 76 H LYS 76 -0.957 23.922 24.050 629 HA LYS 76 HA LYS 76 -1.034 23.077 26.115 630 1HB LYS 76 1HB LYS 76 -1.849 25.790 26.053 631 2HB LYS 76 2HB LYS 76 -2.838 25.009 27.270 632 1HG LYS 76 1HG LYS 76 -0.359 23.902 27.810 633 2HG LYS 76 2HG LYS 76 0.101 25.495 27.244 634 1HD LYS 76 1HD LYS 76 -1.131 26.603 28.959 635 2HD LYS 76 2HD LYS 76 -2.123 25.197 29.288 636 1HE LYS 76 2HE LYS 76 -0.142 23.996 30.211 637 2HE LYS 76 3HE LYS 76 0.877 25.374 29.847 638 1HZ LYS 76 1HZ LYS 76 -0.225 25.091 32.163 639 2HZ LYS 76 2HZ LYS 76 -0.040 26.577 31.511 640 3HZ LYS 76 3HZ LYS 76 -1.493 25.834 31.451 Start of MODEL 12 1 H MET 1 H MET 1 5.162 -3.602 32.328 2 HA MET 1 HA MET 1 3.879 -3.298 30.018 3 1HB MET 1 1HB MET 1 5.614 -3.507 28.231 4 2HB MET 1 2HB MET 1 5.858 -2.033 29.146 5 1HG MET 1 1HG MET 1 7.404 -3.732 30.630 6 2HG MET 1 2HG MET 1 7.532 -4.522 29.071 7 1HE MET 1 1HE MET 1 9.673 -2.147 31.086 8 2HE MET 1 2HE MET 1 9.872 -3.755 30.348 9 3HE MET 1 3HE MET 1 10.774 -2.362 29.703 10 H LEU 2 H LEU 2 3.618 -5.341 28.819 11 HA LEU 2 HA LEU 2 5.162 -7.585 29.199 12 1HB LEU 2 1HB LEU 2 3.935 -6.960 31.590 13 2HB LEU 2 2HB LEU 2 2.847 -8.148 30.898 14 HG LEU 2 HG LEU 2 4.400 -9.285 32.310 15 1HD1 LEU 2 1HD1 LEU 2 5.110 -9.722 29.396 16 2HD1 LEU 2 2HD1 LEU 2 5.494 -10.841 30.725 17 3HD1 LEU 2 3HD1 LEU 2 3.797 -10.501 30.311 18 1HD2 LEU 2 1HD2 LEU 2 6.516 -7.737 30.821 19 2HD2 LEU 2 2HD2 LEU 2 6.204 -7.816 32.572 20 3HD2 LEU 2 3HD2 LEU 2 6.894 -9.223 31.726 21 H LYS 3 H LYS 3 4.670 -8.649 27.364 22 HA LYS 3 HA LYS 3 2.056 -9.496 26.805 23 1HB LYS 3 1HB LYS 3 2.471 -6.832 26.057 24 2HB LYS 3 2HB LYS 3 2.677 -7.732 24.569 25 1HG LYS 3 1HG LYS 3 0.461 -8.993 25.637 26 2HG LYS 3 2HG LYS 3 0.234 -7.362 26.237 27 1HD LYS 3 1HD LYS 3 0.994 -6.946 23.572 28 2HD LYS 3 2HD LYS 3 0.011 -8.393 23.476 29 1HE LYS 3 2HE LYS 3 -1.915 -7.243 23.902 30 2HE LYS 3 3HE LYS 3 -1.203 -6.385 25.254 31 1HZ LYS 3 1HZ LYS 3 -1.787 -4.923 23.437 32 2HZ LYS 3 2HZ LYS 3 -0.178 -4.882 23.711 33 3HZ LYS 3 3HZ LYS 3 -0.766 -5.703 22.429 34 H ASN 4 H ASN 4 2.244 -9.902 24.033 35 HA ASN 4 HA ASN 4 4.750 -10.628 23.164 36 1HB ASN 4 1HB ASN 4 4.233 -12.354 25.136 37 2HB ASN 4 2HB ASN 4 3.205 -13.125 23.945 38 1HD2 ASN 4 1HD2 ASN 4 6.453 -11.693 24.237 39 2HD2 ASN 4 2HD2 ASN 4 7.307 -12.895 23.326 40 H LEU 5 H LEU 5 3.707 -9.693 21.258 41 HA LEU 5 HA LEU 5 2.488 -11.532 19.556 42 1HB LEU 5 1HB LEU 5 0.661 -10.645 21.380 43 2HB LEU 5 2HB LEU 5 0.438 -9.486 20.084 44 HG LEU 5 HG LEU 5 -1.120 -11.346 19.885 45 1HD1 LEU 5 1HD1 LEU 5 -0.952 -11.643 17.596 46 2HD1 LEU 5 2HD1 LEU 5 0.023 -10.178 17.863 47 3HD1 LEU 5 3HD1 LEU 5 0.824 -11.749 17.631 48 1HD2 LEU 5 1HD2 LEU 5 0.412 -13.019 21.002 49 2HD2 LEU 5 2HD2 LEU 5 -0.493 -13.610 19.588 50 3HD2 LEU 5 3HD2 LEU 5 1.230 -13.192 19.432 51 H ALA 6 H ALA 6 4.601 -10.379 18.835 52 HA ALA 6 HA ALA 6 4.094 -8.833 16.666 53 1HB ALA 6 1HB ALA 6 3.773 -7.286 19.065 54 2HB ALA 6 2HB ALA 6 5.227 -6.711 18.215 55 3HB ALA 6 3HB ALA 6 3.659 -6.747 17.373 56 H LYS 7 H LYS 7 5.796 -9.756 15.614 57 HA LYS 7 HA LYS 7 8.287 -10.116 17.023 58 1HB LYS 7 1HB LYS 7 7.288 -11.855 15.525 59 2HB LYS 7 2HB LYS 7 7.559 -10.792 14.159 60 1HG LYS 7 1HG LYS 7 9.715 -11.473 14.021 61 2HG LYS 7 2HG LYS 7 10.020 -10.912 15.653 62 1HD LYS 7 1HD LYS 7 8.793 -13.172 16.351 63 2HD LYS 7 2HD LYS 7 9.200 -13.674 14.722 64 1HE LYS 7 2HE LYS 7 11.607 -12.596 15.546 65 2HE LYS 7 3HE LYS 7 10.987 -13.212 17.066 66 1HZ LYS 7 1HZ LYS 7 11.802 -14.655 14.722 67 2HZ LYS 7 2HZ LYS 7 11.865 -15.096 16.293 68 3HZ LYS 7 3HZ LYS 7 10.468 -15.240 15.461 69 H LEU 8 H LEU 8 7.100 -8.355 14.080 70 HA LEU 8 HA LEU 8 7.972 -6.664 12.947 71 1HB LEU 8 1HB LEU 8 8.838 -5.729 15.687 72 2HB LEU 8 2HB LEU 8 8.670 -4.730 14.256 73 HG LEU 8 HG LEU 8 6.301 -6.274 15.278 74 1HD1 LEU 8 1HD1 LEU 8 5.712 -4.650 16.863 75 2HD1 LEU 8 2HD1 LEU 8 7.436 -4.975 17.168 76 3HD1 LEU 8 3HD1 LEU 8 6.948 -3.506 16.289 77 1HD2 LEU 8 1HD2 LEU 8 6.670 -4.680 13.083 78 2HD2 LEU 8 2HD2 LEU 8 5.104 -5.027 13.855 79 3HD2 LEU 8 3HD2 LEU 8 5.984 -3.534 14.260 80 H ASP 9 H ASP 9 9.522 -7.568 11.614 81 HA ASP 9 HA ASP 9 12.134 -7.991 12.765 82 1HB ASP 9 1HB ASP 9 10.756 -9.510 11.028 83 2HB ASP 9 2HB ASP 9 11.487 -8.439 9.847 84 H GLN 10 H GLN 10 11.148 -5.246 12.507 85 HA GLN 10 HA GLN 10 12.062 -3.322 11.977 86 1HB GLN 10 1HB GLN 10 14.239 -4.694 11.600 87 2HB GLN 10 2HB GLN 10 13.858 -4.609 9.891 88 1HG GLN 10 1HG GLN 10 14.508 -2.429 9.746 89 2HG GLN 10 2HG GLN 10 13.597 -1.976 11.174 90 1HE2 GLN 10 1HE2 GLN 10 14.813 -1.092 12.646 91 2HE2 GLN 10 2HE2 GLN 10 16.422 -1.545 13.101 92 H THR 11 H THR 11 11.701 -5.522 9.114 93 HA THR 11 HA THR 11 10.956 -3.526 7.301 94 HB THR 11 HB THR 11 10.493 -6.540 7.500 95 HG1 THR 11 1HG THR 11 12.647 -5.327 7.158 96 1HG2 THR 11 1HG2 THR 11 9.900 -6.501 5.121 97 2HG2 THR 11 2HG2 THR 11 8.756 -5.444 5.982 98 3HG2 THR 11 3HG2 THR 11 10.103 -4.735 5.059 99 H GLU 12 H GLU 12 9.006 -5.528 9.572 100 HA GLU 12 HA GLU 12 6.584 -4.482 8.579 101 1HB GLU 12 1HB GLU 12 7.067 -6.699 9.901 102 2HB GLU 12 2HB GLU 12 6.928 -5.701 11.333 103 1HG GLU 12 1HG GLU 12 4.663 -4.897 10.429 104 2HG GLU 12 2HG GLU 12 4.805 -6.121 9.183 105 H MET 13 H MET 13 9.084 -3.092 10.376 106 HA MET 13 HA MET 13 7.404 -1.571 12.122 107 1HB MET 13 1HB MET 13 9.413 -1.085 13.177 108 2HB MET 13 2HB MET 13 10.041 -2.390 12.192 109 1HG MET 13 1HG MET 13 11.551 -0.676 11.666 110 2HG MET 13 2HG MET 13 10.390 -0.500 10.365 111 1HE MET 13 1HE MET 13 10.891 2.020 9.850 112 2HE MET 13 2HE MET 13 11.204 3.213 11.135 113 3HE MET 13 3HE MET 13 12.254 1.784 10.972 114 H ASP 14 H ASP 14 8.798 -1.300 8.898 115 HA ASP 14 HA ASP 14 8.642 1.528 8.822 116 1HB ASP 14 1HB ASP 14 10.155 0.004 7.406 117 2HB ASP 14 2HB ASP 14 8.731 -0.424 6.479 118 H LYS 15 H LYS 15 6.569 -1.279 8.122 119 HA LYS 15 HA LYS 15 4.680 0.233 6.574 120 1HB LYS 15 1HB LYS 15 5.103 -2.589 7.355 121 2HB LYS 15 2HB LYS 15 3.424 -2.109 7.206 122 1HG LYS 15 1HG LYS 15 4.454 -2.960 5.050 123 2HG LYS 15 2HG LYS 15 3.738 -1.365 4.921 124 1HD LYS 15 1HD LYS 15 5.780 -0.934 3.905 125 2HD LYS 15 2HD LYS 15 6.209 -0.553 5.561 126 1HE LYS 15 2HE LYS 15 7.668 -2.302 5.697 127 2HE LYS 15 3HE LYS 15 6.508 -3.428 5.021 128 1HZ LYS 15 1HZ LYS 15 7.044 -2.331 2.835 129 2HZ LYS 15 2HZ LYS 15 8.334 -1.659 3.577 130 3HZ LYS 15 3HZ LYS 15 8.205 -3.283 3.476 131 H VAL 16 H VAL 16 4.658 -1.416 9.815 132 HA VAL 16 HA VAL 16 2.252 -0.738 10.734 133 HB VAL 16 HB VAL 16 4.734 -1.504 11.802 134 1HG1 VAL 16 1HG1 VAL 16 4.936 0.918 12.507 135 2HG1 VAL 16 2HG1 VAL 16 3.516 0.654 13.547 136 3HG1 VAL 16 3HG1 VAL 16 5.010 -0.272 13.828 137 1HG2 VAL 16 1HG2 VAL 16 3.318 -2.182 13.765 138 2HG2 VAL 16 2HG2 VAL 16 1.955 -1.326 13.005 139 3HG2 VAL 16 3HG2 VAL 16 2.700 -2.720 12.186 140 H ASN 17 H ASN 17 5.026 1.479 10.253 141 HA ASN 17 HA ASN 17 3.971 3.622 11.633 142 1HB ASN 17 1HB ASN 17 6.341 3.242 10.527 143 2HB ASN 17 2HB ASN 17 5.615 3.919 9.084 144 1HD2 ASN 17 1HD2 ASN 17 5.359 4.604 12.573 145 2HD2 ASN 17 2HD2 ASN 17 5.729 6.294 12.493 146 H VAL 18 H VAL 18 4.227 3.216 8.011 147 HA VAL 18 HA VAL 18 2.578 5.219 7.245 148 HB VAL 18 HB VAL 18 2.802 2.469 6.004 149 1HG1 VAL 18 1HG1 VAL 18 1.011 3.639 4.948 150 2HG1 VAL 18 2HG1 VAL 18 1.947 5.152 4.881 151 3HG1 VAL 18 3HG1 VAL 18 2.418 3.768 3.866 152 1HG2 VAL 18 1HG2 VAL 18 4.636 4.843 6.048 153 2HG2 VAL 18 2HG2 VAL 18 5.014 3.106 6.123 154 3HG2 VAL 18 3HG2 VAL 18 4.544 3.849 4.575 155 H ASP 19 H ASP 19 1.725 2.174 8.815 156 HA ASP 19 HA ASP 19 -0.849 1.872 8.040 157 1HB ASP 19 1HB ASP 19 0.725 0.619 9.812 158 2HB ASP 19 2HB ASP 19 -0.145 1.608 10.969 159 H LEU 20 H LEU 20 0.587 4.034 10.563 160 HA LEU 20 HA LEU 20 -1.927 5.009 11.463 161 1HB LEU 20 1HB LEU 20 0.916 5.390 12.057 162 2HB LEU 20 2HB LEU 20 -0.033 6.855 12.219 163 HG LEU 20 HG LEU 20 -1.633 5.163 13.579 164 1HD1 LEU 20 1HD1 LEU 20 -0.705 3.253 14.220 165 2HD1 LEU 20 2HD1 LEU 20 0.676 3.605 13.154 166 3HD1 LEU 20 3HD1 LEU 20 0.718 4.107 14.861 167 1HD2 LEU 20 1HD2 LEU 20 0.203 5.944 15.526 168 2HD2 LEU 20 2HD2 LEU 20 0.375 7.155 14.233 169 3HD2 LEU 20 3HD2 LEU 20 -1.220 6.853 14.962 170 H ALA 21 H ALA 21 0.190 5.665 8.757 171 HA ALA 21 HA ALA 21 -0.490 8.347 8.321 172 1HB ALA 21 1HB ALA 21 1.366 6.806 7.302 173 2HB ALA 21 2HB ALA 21 0.113 6.379 6.111 174 3HB ALA 21 3HB ALA 21 0.635 8.071 6.285 175 H ALA 22 H ALA 22 -1.608 5.500 6.360 176 HA ALA 22 HA ALA 22 -4.294 5.778 6.718 177 1HB ALA 22 1HB ALA 22 -4.578 7.037 4.318 178 2HB ALA 22 2HB ALA 22 -4.660 7.871 5.889 179 3HB ALA 22 3HB ALA 22 -3.145 7.880 4.954 180 H ALA 23 H ALA 23 -5.306 4.094 5.644 181 HA ALA 23 HA ALA 23 -4.792 3.138 3.162 182 1HB ALA 23 1HB ALA 23 -2.575 2.575 4.922 183 2HB ALA 23 2HB ALA 23 -3.367 1.048 4.468 184 3HB ALA 23 3HB ALA 23 -2.774 2.153 3.205 185 H GLY 24 H GLY 24 -7.100 3.005 3.595 186 1HA GLY 24 1HA GLY 24 -7.796 0.456 4.883 187 2HA GLY 24 2HA GLY 24 -8.601 1.922 5.405 188 H VAL 25 H VAL 25 -9.790 3.234 3.736 189 HA VAL 25 HA VAL 25 -10.846 1.437 1.667 190 HB VAL 25 HB VAL 25 -12.247 3.884 2.685 191 1HG1 VAL 25 1HG1 VAL 25 -12.832 1.915 0.783 192 2HG1 VAL 25 2HG1 VAL 25 -13.839 1.500 2.191 193 3HG1 VAL 25 3HG1 VAL 25 -13.955 3.119 1.461 194 1HG2 VAL 25 1HG2 VAL 25 -12.178 3.040 4.776 195 2HG2 VAL 25 2HG2 VAL 25 -13.392 1.890 4.167 196 3HG2 VAL 25 3HG2 VAL 25 -11.674 1.427 4.220 197 H ALA 26 H ALA 26 -9.075 4.362 2.357 198 HA ALA 26 HA ALA 26 -9.618 6.064 0.362 199 1HB ALA 26 1HB ALA 26 -6.863 5.137 1.272 200 2HB ALA 26 2HB ALA 26 -7.219 6.668 0.436 201 3HB ALA 26 3HB ALA 26 -7.868 6.373 2.067 202 H PHE 27 H PHE 27 -8.248 2.805 0.072 203 HA PHE 27 HA PHE 27 -8.444 3.102 -2.822 204 1HB PHE 27 1HB PHE 27 -6.039 3.428 -1.974 205 2HB PHE 27 2HB PHE 27 -6.124 1.838 -1.241 206 HD1 PHE 27 1HD PHE 27 -5.897 3.671 -4.404 207 HD2 PHE 27 2HD PHE 27 -5.996 -0.166 -2.593 208 HE1 PHE 27 1HE PHE 27 -5.090 2.640 -6.545 209 HE2 PHE 27 2HE PHE 27 -5.189 -1.197 -4.735 210 HZ PHE 27 HZ PHE 27 -4.746 0.218 -6.685 211 H LYS 28 H LYS 28 -8.048 0.754 -3.838 212 HA LYS 28 HA LYS 28 -8.449 -1.458 -3.816 213 1HB LYS 28 1HB LYS 28 -7.830 -1.456 -1.364 214 2HB LYS 28 2HB LYS 28 -9.528 -1.223 -0.996 215 1HG LYS 28 1HG LYS 28 -8.683 -3.659 -1.012 216 2HG LYS 28 2HG LYS 28 -10.150 -3.338 -1.914 217 1HD LYS 28 1HD LYS 28 -8.484 -4.764 -3.168 218 2HD LYS 28 2HD LYS 28 -8.950 -3.310 -4.029 219 1HE LYS 28 2HE LYS 28 -6.807 -2.554 -4.053 220 2HE LYS 28 3HE LYS 28 -6.670 -2.723 -2.314 221 1HZ LYS 28 1HZ LYS 28 -6.544 -5.107 -3.978 222 2HZ LYS 28 2HZ LYS 28 -5.226 -4.151 -3.860 223 3HZ LYS 28 3HZ LYS 28 -5.864 -4.832 -2.519 224 H GLU 29 H GLU 29 -10.680 1.073 -2.855 225 HA GLU 29 HA GLU 29 -13.084 0.002 -2.909 226 1HB GLU 29 1HB GLU 29 -13.589 2.145 -4.520 227 2HB GLU 29 2HB GLU 29 -13.296 2.273 -2.798 228 1HG GLU 29 1HG GLU 29 -10.994 2.880 -3.115 229 2HG GLU 29 2HG GLU 29 -10.992 2.337 -4.780 230 H ARG 30 H ARG 30 -10.806 0.054 -5.610 231 HA ARG 30 HA ARG 30 -12.420 -0.199 -7.741 232 1HB ARG 30 1HB ARG 30 -9.706 -0.537 -7.229 233 2HB ARG 30 2HB ARG 30 -10.170 -2.153 -7.722 234 1HG ARG 30 1HG ARG 30 -11.427 -0.860 -9.695 235 2HG ARG 30 2HG ARG 30 -10.297 0.421 -9.305 236 1HD ARG 30 1HD ARG 30 -8.691 -1.900 -9.361 237 2HD ARG 30 2HD ARG 30 -9.809 -2.131 -10.690 238 HE ARG 30 HE ARG 30 -8.750 -0.395 -11.842 239 1HH1 ARG 30 1HH1 ARG 30 -6.413 1.969 -10.780 240 2HH1 ARG 30 2HH1 ARG 30 -7.245 1.298 -12.143 241 1HH2 ARG 30 1HH2 ARG 30 -6.824 1.146 -8.649 242 2HH2 ARG 30 2HH2 ARG 30 -7.965 -0.137 -8.422 243 H TYR 31 H TYR 31 -12.035 -2.406 -5.051 244 HA TYR 31 HA TYR 31 -13.033 -4.699 -6.499 245 1HB TYR 31 1HB TYR 31 -12.212 -5.760 -4.572 246 2HB TYR 31 2HB TYR 31 -11.410 -4.226 -4.296 247 HD1 TYR 31 1HD TYR 31 -12.095 -2.756 -2.512 248 HD2 TYR 31 2HD TYR 31 -14.325 -6.306 -3.365 249 HE1 TYR 31 1HE TYR 31 -13.348 -2.505 -0.314 250 HE2 TYR 31 2HE TYR 31 -15.570 -6.044 -1.164 251 HH TYR 31 HH TYR 31 -16.155 -4.056 0.346 252 H ASN 32 H ASN 32 -14.592 -2.003 -5.966 253 HA ASN 32 HA ASN 32 -16.678 -1.465 -5.714 254 1HB ASN 32 1HB ASN 32 -17.379 -3.434 -6.972 255 2HB ASN 32 2HB ASN 32 -17.091 -4.492 -5.604 256 1HD2 ASN 32 1HD2 ASN 32 -18.852 -1.471 -6.309 257 2HD2 ASN 32 2HD2 ASN 32 -20.339 -1.897 -5.530 258 H MET 33 H MET 33 -15.449 -0.852 -3.514 259 HA MET 33 HA MET 33 -16.317 -2.416 -1.277 260 1HB MET 33 1HB MET 33 -14.815 -1.018 -0.018 261 2HB MET 33 2HB MET 33 -14.038 -1.175 -1.581 262 1HG MET 33 1HG MET 33 -13.920 1.136 -1.346 263 2HG MET 33 2HG MET 33 -15.473 1.024 -2.150 264 1HE MET 33 1HE MET 33 -15.278 3.644 -0.784 265 2HE MET 33 2HE MET 33 -16.774 2.925 -1.426 266 3HE MET 33 3HE MET 33 -16.764 3.652 0.198 267 HA PRO 34 HA PRO 34 -19.894 0.048 -0.749 268 1HB PRO 34 1HB PRO 34 -20.919 -1.253 1.425 269 2HB PRO 34 2HB PRO 34 -21.182 -1.786 -0.223 270 1HG PRO 34 1HG PRO 34 -19.390 -2.930 1.831 271 2HG PRO 34 2HG PRO 34 -19.985 -3.670 0.359 272 1HD PRO 34 1HD PRO 34 -17.362 -2.596 0.802 273 2HD PRO 34 2HD PRO 34 -17.994 -3.231 -0.704 274 H VAL 35 H VAL 35 -21.116 1.195 1.156 275 HA VAL 35 HA VAL 35 -19.169 2.947 2.217 276 HB VAL 35 HB VAL 35 -21.148 3.886 3.425 277 1HG1 VAL 35 1HG1 VAL 35 -22.441 4.205 1.073 278 2HG1 VAL 35 2HG1 VAL 35 -20.919 5.036 1.480 279 3HG1 VAL 35 3HG1 VAL 35 -20.890 3.562 0.482 280 1HG2 VAL 35 1HG2 VAL 35 -22.252 1.317 2.827 281 2HG2 VAL 35 2HG2 VAL 35 -22.978 2.656 3.748 282 3HG2 VAL 35 3HG2 VAL 35 -23.222 2.551 1.988 283 H ILE 36 H ILE 36 -18.075 0.684 3.027 284 HA ILE 36 HA ILE 36 -18.514 0.762 5.894 285 HB ILE 36 HB ILE 36 -19.296 -1.461 4.170 286 1HG1 ILE 36 1HG1 ILE 36 -19.777 -1.081 7.130 287 2HG1 ILE 36 2HG1 ILE 36 -20.649 -0.160 5.921 288 1HG2 ILE 36 1HG2 ILE 36 -17.223 -2.468 4.779 289 2HG2 ILE 36 2HG2 ILE 36 -17.408 -1.973 6.478 290 3HG2 ILE 36 3HG2 ILE 36 -18.493 -3.205 5.788 291 1HD1 ILE 36 1HD1 ILE 36 -22.018 -2.071 6.388 292 2HD1 ILE 36 2HD1 ILE 36 -21.249 -2.412 4.818 293 3HD1 ILE 36 3HD1 ILE 36 -20.627 -3.179 6.298 294 H ALA 37 H ALA 37 -16.662 -0.205 7.089 295 HA ALA 37 HA ALA 37 -14.238 -0.042 5.433 296 1HB ALA 37 1HB ALA 37 -14.907 0.835 8.246 297 2HB ALA 37 2HB ALA 37 -13.223 0.494 7.781 298 3HB ALA 37 3HB ALA 37 -14.142 1.759 6.931 299 H GLU 38 H GLU 38 -16.036 -1.799 7.989 300 HA GLU 38 HA GLU 38 -14.029 -3.605 8.595 301 1HB GLU 38 1HB GLU 38 -16.118 -3.214 9.932 302 2HB GLU 38 2HB GLU 38 -17.049 -4.030 8.691 303 1HG GLU 38 1HG GLU 38 -15.888 -6.133 9.079 304 2HG GLU 38 2HG GLU 38 -14.696 -5.359 10.103 305 H ALA 39 H ALA 39 -15.792 -3.154 5.694 306 HA ALA 39 HA ALA 39 -15.506 -5.960 4.920 307 1HB ALA 39 1HB ALA 39 -16.787 -3.735 3.310 308 2HB ALA 39 2HB ALA 39 -17.078 -5.489 3.215 309 3HB ALA 39 3HB ALA 39 -17.664 -4.564 4.618 310 H VAL 40 H VAL 40 -13.987 -2.842 4.710 311 HA VAL 40 HA VAL 40 -12.759 -3.218 2.178 312 HB VAL 40 HB VAL 40 -12.891 -1.243 4.280 313 1HG1 VAL 40 1HG1 VAL 40 -10.549 -1.971 4.699 314 2HG1 VAL 40 2HG1 VAL 40 -10.155 -1.588 3.006 315 3HG1 VAL 40 3HG1 VAL 40 -10.666 -0.294 4.115 316 1HG2 VAL 40 1HG2 VAL 40 -12.280 0.258 2.332 317 2HG2 VAL 40 2HG2 VAL 40 -12.180 -1.213 1.334 318 3HG2 VAL 40 3HG2 VAL 40 -13.722 -0.760 2.098 319 H GLU 41 H GLU 41 -11.944 -3.983 5.586 320 HA GLU 41 HA GLU 41 -9.342 -4.889 4.781 321 1HB GLU 41 1HB GLU 41 -10.615 -4.067 7.242 322 2HB GLU 41 2HB GLU 41 -9.955 -5.673 7.473 323 1HG GLU 41 1HG GLU 41 -7.826 -4.882 7.505 324 2HG GLU 41 2HG GLU 41 -8.053 -4.035 5.988 325 H ARG 42 H ARG 42 -12.546 -6.198 5.690 326 HA ARG 42 HA ARG 42 -11.683 -8.828 5.994 327 1HB ARG 42 1HB ARG 42 -13.815 -8.265 6.929 328 2HB ARG 42 2HB ARG 42 -14.371 -7.517 5.446 329 1HG ARG 42 1HG ARG 42 -14.817 -9.580 4.401 330 2HG ARG 42 2HG ARG 42 -13.655 -10.451 5.383 331 1HD ARG 42 1HD ARG 42 -15.729 -11.156 6.281 332 2HD ARG 42 2HD ARG 42 -15.232 -9.902 7.401 333 HE ARG 42 HE ARG 42 -17.027 -8.583 6.685 334 1HH1 ARG 42 1HH1 ARG 42 -19.254 -9.009 4.033 335 2HH1 ARG 42 2HH1 ARG 42 -18.890 -8.093 5.456 336 1HH2 ARG 42 1HH2 ARG 42 -17.849 -10.735 3.373 337 2HH2 ARG 42 2HH2 ARG 42 -16.437 -11.107 4.306 338 H GLU 43 H GLU 43 -12.613 -6.818 3.206 339 HA GLU 43 HA GLU 43 -12.878 -9.065 1.474 340 1HB GLU 43 1HB GLU 43 -12.894 -6.055 1.063 341 2HB GLU 43 2HB GLU 43 -12.930 -7.157 -0.298 342 1HG GLU 43 1HG GLU 43 -14.888 -7.651 1.940 343 2HG GLU 43 2HG GLU 43 -15.187 -6.278 0.892 344 H GLN 44 H GLN 44 -10.766 -6.127 1.128 345 HA GLN 44 HA GLN 44 -8.512 -7.898 0.774 346 1HB GLN 44 1HB GLN 44 -9.878 -6.852 -1.449 347 2HB GLN 44 2HB GLN 44 -8.507 -5.777 -1.262 348 1HG GLN 44 1HG GLN 44 -6.924 -7.528 -1.532 349 2HG GLN 44 2HG GLN 44 -8.082 -8.775 -1.115 350 1HE2 GLN 44 1HE2 GLN 44 -6.479 -7.233 -3.577 351 2HE2 GLN 44 2HE2 GLN 44 -7.437 -7.710 -4.938 352 HA PRO 45 HA PRO 45 -7.125 -4.469 3.184 353 1HB PRO 45 1HB PRO 45 -4.968 -5.718 4.304 354 2HB PRO 45 2HB PRO 45 -6.578 -5.787 4.991 355 1HG PRO 45 1HG PRO 45 -5.108 -7.876 3.504 356 2HG PRO 45 2HG PRO 45 -6.505 -8.049 4.547 357 1HD PRO 45 1HD PRO 45 -6.489 -8.095 1.680 358 2HD PRO 45 2HD PRO 45 -7.898 -8.152 2.721 359 H GLU 46 H GLU 46 -6.792 -3.342 1.142 360 HA GLU 46 HA GLU 46 -4.905 -3.559 -0.589 361 1HB GLU 46 1HB GLU 46 -4.504 -0.894 -0.049 362 2HB GLU 46 2HB GLU 46 -5.878 -1.529 -0.933 363 1HG GLU 46 1HG GLU 46 -7.340 -1.286 0.866 364 2HG GLU 46 2HG GLU 46 -6.086 -1.537 2.065 365 H HIS 47 H HIS 47 -4.189 -1.993 2.621 366 HA HIS 47 HA HIS 47 -1.537 -1.601 2.315 367 1HB HIS 47 1HB HIS 47 -1.371 -1.725 4.750 368 2HB HIS 47 2HB HIS 47 -2.794 -0.839 4.241 369 HD1 HIS 47 1HD HIS 47 -5.086 -2.502 4.146 370 HD2 HIS 47 2HD HIS 47 -1.919 -3.569 6.682 371 HE1 HIS 47 1HE HIS 47 -6.062 -4.107 5.874 372 H LEU 48 H LEU 48 -3.167 -4.650 3.402 373 HA LEU 48 HA LEU 48 -0.997 -6.170 3.959 374 1HB LEU 48 1HB LEU 48 -3.737 -6.656 2.982 375 2HB LEU 48 2HB LEU 48 -2.607 -7.966 2.704 376 HG LEU 48 HG LEU 48 -3.899 -8.201 4.801 377 1HD1 LEU 48 1HD1 LEU 48 -1.921 -9.437 4.792 378 2HD1 LEU 48 2HD1 LEU 48 -0.896 -7.987 4.908 379 3HD1 LEU 48 3HD1 LEU 48 -1.842 -8.522 6.317 380 1HD2 LEU 48 1HD2 LEU 48 -3.042 -5.462 5.187 381 2HD2 LEU 48 2HD2 LEU 48 -4.288 -6.403 6.043 382 3HD2 LEU 48 3HD2 LEU 48 -2.592 -6.479 6.578 383 H ARG 49 H ARG 49 -2.082 -4.972 0.807 384 HA ARG 49 HA ARG 49 -0.822 -6.749 -0.820 385 1HB ARG 49 1HB ARG 49 -1.080 -5.117 -2.536 386 2HB ARG 49 2HB ARG 49 -2.341 -4.708 -1.389 387 1HG ARG 49 1HG ARG 49 -0.572 -3.104 -0.314 388 2HG ARG 49 2HG ARG 49 0.339 -3.328 -1.793 389 1HD ARG 49 1HD ARG 49 -0.976 -1.818 -2.864 390 2HD ARG 49 2HD ARG 49 -2.399 -2.787 -2.532 391 HE ARG 49 HE ARG 49 -2.003 -1.548 -0.119 392 1HH1 ARG 49 1HH1 ARG 49 -3.118 1.707 -0.702 393 2HH1 ARG 49 2HH1 ARG 49 -2.802 0.502 0.501 394 1HH2 ARG 49 1HH2 ARG 49 -2.731 1.241 -2.942 395 2HH2 ARG 49 2HH2 ARG 49 -2.126 -0.312 -3.412 396 H SER 50 H SER 50 0.467 -3.877 0.931 397 HA SER 50 HA SER 50 3.099 -4.524 -0.122 398 1HB SER 50 1HB SER 50 2.104 -2.022 1.314 399 2HB SER 50 2HB SER 50 3.740 -2.253 0.731 400 HG SER 50 HG SER 50 1.876 -1.136 -0.649 401 H TRP 51 H TRP 51 1.051 -4.494 2.743 402 HA TRP 51 HA TRP 51 3.170 -4.558 4.644 403 1HB TRP 51 1HB TRP 51 0.214 -4.826 4.661 404 2HB TRP 51 2HB TRP 51 1.078 -5.590 5.980 405 HD1 TRP 51 HD TRP 51 1.167 -3.973 8.017 406 HE1 TRP 51 1HE TRP 51 1.415 -1.390 8.496 407 HE3 TRP 51 3HE TRP 51 1.416 -2.558 3.140 408 HZ2 TRP 51 2HZ TRP 51 1.682 0.904 6.820 409 HZ3 TRP 51 3HZ TRP 51 1.671 -0.128 2.648 410 HH2 TRP 51 HH TRP 51 1.804 1.579 4.393 411 H PHE 52 H PHE 52 1.564 -6.827 2.481 412 HA PHE 52 HA PHE 52 2.763 -9.066 3.937 413 1HB PHE 52 1HB PHE 52 0.226 -8.804 3.157 414 2HB PHE 52 2HB PHE 52 0.845 -9.128 1.549 415 HD1 PHE 52 1HD PHE 52 1.190 -11.329 0.833 416 HD2 PHE 52 2HD PHE 52 0.674 -10.557 4.974 417 HE1 PHE 52 1HE PHE 52 1.051 -13.796 1.276 418 HE2 PHE 52 2HE PHE 52 0.534 -13.024 5.416 419 HZ PHE 52 HZ PHE 52 0.725 -14.614 3.562 420 H ARG 53 H ARG 53 2.558 -7.412 0.747 421 HA ARG 53 HA ARG 53 4.438 -9.298 -0.327 422 1HB ARG 53 1HB ARG 53 2.357 -8.068 -1.509 423 2HB ARG 53 2HB ARG 53 3.548 -6.820 -1.816 424 1HG ARG 53 1HG ARG 53 4.753 -8.126 -3.299 425 2HG ARG 53 2HG ARG 53 4.439 -9.609 -2.420 426 1HD ARG 53 1HD ARG 53 2.994 -10.069 -4.138 427 2HD ARG 53 2HD ARG 53 1.894 -9.007 -3.282 428 HE ARG 53 HE ARG 53 2.313 -7.287 -4.864 429 1HH1 ARG 53 1HH1 ARG 53 4.129 -7.504 -7.836 430 2HH1 ARG 53 2HH1 ARG 53 2.996 -6.566 -6.922 431 1HH2 ARG 53 1HH2 ARG 53 4.953 -9.493 -6.971 432 2HH2 ARG 53 2HH2 ARG 53 4.436 -10.039 -5.412 433 H GLU 54 H GLU 54 4.675 -6.709 1.701 434 HA GLU 54 HA GLU 54 6.216 -4.804 0.821 435 1HB GLU 54 1HB GLU 54 6.698 -4.456 3.017 436 2HB GLU 54 2HB GLU 54 5.695 -5.863 3.308 437 1HG GLU 54 1HG GLU 54 7.731 -6.325 4.463 438 2HG GLU 54 2HG GLU 54 7.821 -7.291 3.003 439 H ARG 55 H ARG 55 7.236 -8.220 1.138 440 HA ARG 55 HA ARG 55 9.874 -8.086 1.003 441 1HB ARG 55 1HB ARG 55 7.813 -9.939 -0.061 442 2HB ARG 55 2HB ARG 55 9.342 -10.058 -0.907 443 1HG ARG 55 1HG ARG 55 10.526 -10.352 1.284 444 2HG ARG 55 2HG ARG 55 8.990 -10.248 2.122 445 1HD ARG 55 1HD ARG 55 8.175 -12.268 0.889 446 2HD ARG 55 2HD ARG 55 9.699 -12.365 0.030 447 HE ARG 55 HE ARG 55 10.268 -12.309 2.828 448 1HH1 ARG 55 1HH1 ARG 55 10.334 -15.765 3.310 449 2HH1 ARG 55 2HH1 ARG 55 10.789 -14.225 3.959 450 1HH2 ARG 55 1HH2 ARG 55 9.194 -15.881 1.291 451 2HH2 ARG 55 2HH2 ARG 55 8.799 -14.428 0.435 452 H LEU 56 H LEU 56 7.795 -8.259 -1.992 453 HA LEU 56 HA LEU 56 9.599 -6.369 -3.270 454 1HB LEU 56 1HB LEU 56 9.175 -9.213 -4.118 455 2HB LEU 56 2HB LEU 56 9.477 -7.973 -5.320 456 HG LEU 56 HG LEU 56 11.352 -8.183 -2.993 457 1HD1 LEU 56 1HD1 LEU 56 11.975 -10.267 -3.409 458 2HD1 LEU 56 2HD1 LEU 56 10.778 -10.395 -4.720 459 3HD1 LEU 56 3HD1 LEU 56 12.416 -9.792 -5.067 460 1HD2 LEU 56 1HD2 LEU 56 12.563 -6.766 -4.197 461 2HD2 LEU 56 2HD2 LEU 56 12.545 -7.864 -5.598 462 3HD2 LEU 56 3HD2 LEU 56 11.228 -6.688 -5.372 463 H ILE 57 H ILE 57 7.701 -4.994 -2.849 464 HA ILE 57 HA ILE 57 5.473 -5.650 -4.644 465 HB ILE 57 HB ILE 57 5.193 -5.349 -2.079 466 1HG1 ILE 57 1HG1 ILE 57 3.468 -5.414 -4.072 467 2HG1 ILE 57 2HG1 ILE 57 2.967 -4.998 -2.445 468 1HG2 ILE 57 1HG2 ILE 57 4.808 -3.096 -1.322 469 2HG2 ILE 57 2HG2 ILE 57 6.454 -3.210 -1.988 470 3HG2 ILE 57 3HG2 ILE 57 5.160 -2.444 -2.941 471 1HD1 ILE 57 1HD1 ILE 57 2.113 -3.431 -4.260 472 2HD1 ILE 57 2HD1 ILE 57 2.995 -2.625 -2.941 473 3HD1 ILE 57 3HD1 ILE 57 3.797 -2.908 -4.505 474 H ALA 58 H ALA 58 8.057 -3.378 -3.820 475 HA ALA 58 HA ALA 58 7.317 -1.067 -4.966 476 1HB ALA 58 1HB ALA 58 9.454 -0.863 -4.235 477 2HB ALA 58 2HB ALA 58 9.838 -2.564 -4.592 478 3HB ALA 58 3HB ALA 58 9.900 -1.347 -5.889 479 H HIS 59 H HIS 59 6.156 -0.739 -6.800 480 HA HIS 59 HA HIS 59 7.282 -1.750 -9.255 481 1HB HIS 59 1HB HIS 59 5.898 -3.588 -8.925 482 2HB HIS 59 2HB HIS 59 4.637 -2.646 -8.155 483 HD1 HIS 59 1HD HIS 59 6.235 -2.875 -11.643 484 HD2 HIS 59 2HD HIS 59 2.529 -2.158 -9.814 485 HE1 HIS 59 1HE HIS 59 4.539 -2.629 -13.534 486 H ARG 60 H ARG 60 3.953 -0.561 -8.543 487 HA ARG 60 HA ARG 60 4.528 2.108 -8.950 488 1HB ARG 60 1HB ARG 60 4.385 0.562 -11.399 489 2HB ARG 60 2HB ARG 60 2.992 1.624 -11.344 490 1HG ARG 60 1HG ARG 60 4.441 3.588 -10.992 491 2HG ARG 60 2HG ARG 60 5.859 2.566 -10.873 492 1HD ARG 60 1HD ARG 60 6.119 2.736 -13.122 493 2HD ARG 60 2HD ARG 60 4.631 1.835 -13.332 494 HE ARG 60 HE ARG 60 4.233 4.696 -12.774 495 1HH1 ARG 60 1HH1 ARG 60 3.134 5.327 -16.025 496 2HH1 ARG 60 2HH1 ARG 60 3.270 5.958 -14.418 497 1HH2 ARG 60 1HH2 ARG 60 3.929 3.201 -16.509 498 2HH2 ARG 60 2HH2 ARG 60 4.658 2.245 -15.263 499 H LEU 61 H LEU 61 2.715 3.290 -8.271 500 HA LEU 61 HA LEU 61 0.095 2.097 -8.559 501 1HB LEU 61 1HB LEU 61 0.986 1.129 -6.479 502 2HB LEU 61 2HB LEU 61 1.252 2.741 -5.843 503 HG LEU 61 HG LEU 61 -0.756 1.778 -4.895 504 1HD1 LEU 61 1HD1 LEU 61 -0.544 4.293 -5.846 505 2HD1 LEU 61 2HD1 LEU 61 -2.004 3.759 -6.712 506 3HD1 LEU 61 3HD1 LEU 61 -1.951 3.693 -4.934 507 1HD2 LEU 61 1HD2 LEU 61 -2.318 0.623 -6.005 508 2HD2 LEU 61 2HD2 LEU 61 -2.386 1.802 -7.337 509 3HD2 LEU 61 3HD2 LEU 61 -1.119 0.552 -7.320 510 H ALA 62 H ALA 62 -1.035 3.701 -9.507 511 HA ALA 62 HA ALA 62 -0.197 6.373 -9.452 512 1HB ALA 62 1HB ALA 62 -2.735 6.589 -10.271 513 2HB ALA 62 2HB ALA 62 -1.475 5.875 -11.307 514 3HB ALA 62 3HB ALA 62 -2.583 4.819 -10.397 515 H SER 63 H SER 63 -3.586 5.892 -8.625 516 HA SER 63 HA SER 63 -3.637 5.977 -5.965 517 1HB SER 63 1HB SER 63 -3.927 8.568 -5.601 518 2HB SER 63 2HB SER 63 -2.319 7.870 -5.598 519 HG SER 63 HG SER 63 -2.824 9.880 -6.991 520 H VAL 64 H VAL 64 -5.800 5.681 -5.533 521 HA VAL 64 HA VAL 64 -7.687 6.243 -7.603 522 HB VAL 64 HB VAL 64 -7.933 5.122 -4.807 523 1HG1 VAL 64 1HG1 VAL 64 -10.118 5.639 -5.021 524 2HG1 VAL 64 2HG1 VAL 64 -9.987 5.910 -6.776 525 3HG1 VAL 64 3HG1 VAL 64 -10.158 4.256 -6.141 526 1HG2 VAL 64 1HG2 VAL 64 -8.394 3.499 -7.269 527 2HG2 VAL 64 2HG2 VAL 64 -6.715 3.932 -6.869 528 3HG2 VAL 64 3HG2 VAL 64 -7.705 3.029 -5.696 529 H ASN 65 H ASN 65 -8.747 6.798 -4.300 530 HA ASN 65 HA ASN 65 -9.681 9.358 -5.072 531 1HB ASN 65 1HB ASN 65 -10.344 7.416 -3.109 532 2HB ASN 65 2HB ASN 65 -9.785 8.793 -2.181 533 1HD2 ASN 65 1HD2 ASN 65 -12.269 7.450 -4.089 534 2HD2 ASN 65 2HD2 ASN 65 -13.381 8.778 -4.087 535 H LEU 66 H LEU 66 -7.833 8.274 -2.118 536 HA LEU 66 HA LEU 66 -6.095 9.129 -1.051 537 1HB LEU 66 1HB LEU 66 -5.048 9.120 -3.301 538 2HB LEU 66 2HB LEU 66 -5.583 10.772 -3.534 539 HG LEU 66 HG LEU 66 -4.250 11.128 -1.240 540 1HD1 LEU 66 1HD1 LEU 66 -2.811 8.797 -2.538 541 2HD1 LEU 66 2HD1 LEU 66 -2.208 9.783 -1.185 542 3HD1 LEU 66 3HD1 LEU 66 -3.657 8.771 -0.972 543 1HD2 LEU 66 1HD2 LEU 66 -3.129 12.483 -2.587 544 2HD2 LEU 66 2HD2 LEU 66 -2.246 11.104 -3.285 545 3HD2 LEU 66 3HD2 LEU 66 -3.795 11.620 -3.995 546 H SER 67 H SER 67 -7.799 9.983 0.371 547 HA SER 67 HA SER 67 -8.010 12.878 0.084 548 1HB SER 67 1HB SER 67 -9.942 10.800 1.138 549 2HB SER 67 2HB SER 67 -10.053 12.452 1.711 550 HG SER 67 HG SER 67 -10.933 11.400 -0.653 551 H ARG 68 H ARG 68 -6.852 14.018 1.594 552 HA ARG 68 HA ARG 68 -6.859 13.151 4.285 553 1HB ARG 68 1HB ARG 68 -4.361 12.998 4.508 554 2HB ARG 68 2HB ARG 68 -5.013 11.732 3.488 555 1HG ARG 68 1HG ARG 68 -4.488 13.212 1.466 556 2HG ARG 68 2HG ARG 68 -3.660 14.305 2.557 557 1HD ARG 68 1HD ARG 68 -2.538 11.865 3.267 558 2HD ARG 68 2HD ARG 68 -2.809 11.636 1.551 559 HE ARG 68 HE ARG 68 -1.664 14.123 1.592 560 1HH1 ARG 68 1HH1 ARG 68 1.706 13.448 2.198 561 2HH1 ARG 68 2HH1 ARG 68 0.572 14.592 1.560 562 1HH2 ARG 68 1HH2 ARG 68 0.954 11.440 3.085 563 2HH2 ARG 68 2HH2 ARG 68 -0.741 11.086 3.110 564 H LEU 69 H LEU 69 -6.478 14.936 5.672 565 HA LEU 69 HA LEU 69 -4.952 17.154 5.020 566 1HB LEU 69 1HB LEU 69 -6.426 17.718 3.280 567 2HB LEU 69 2HB LEU 69 -7.848 17.354 4.237 568 HG LEU 69 HG LEU 69 -6.652 19.365 5.706 569 1HD1 LEU 69 1HD1 LEU 69 -5.502 19.489 3.104 570 2HD1 LEU 69 2HD1 LEU 69 -6.612 20.868 3.284 571 3HD1 LEU 69 3HD1 LEU 69 -5.307 20.616 4.468 572 1HD2 LEU 69 1HD2 LEU 69 -8.596 20.177 3.604 573 2HD2 LEU 69 2HD2 LEU 69 -9.086 18.878 4.718 574 3HD2 LEU 69 3HD2 LEU 69 -8.606 20.467 5.360 575 HA PRO 70 HA PRO 70 -6.157 16.774 9.291 576 1HB PRO 70 1HB PRO 70 -3.670 17.171 10.351 577 2HB PRO 70 2HB PRO 70 -4.304 15.584 9.962 578 1HG PRO 70 1HG PRO 70 -2.285 17.181 8.509 579 2HG PRO 70 2HG PRO 70 -2.617 15.464 8.393 580 1HD PRO 70 1HD PRO 70 -3.397 17.492 6.521 581 2HD PRO 70 2HD PRO 70 -3.828 15.794 6.467 582 H TYR 71 H TYR 71 -5.651 18.255 11.299 583 HA TYR 71 HA TYR 71 -4.968 20.920 10.587 584 1HB TYR 71 1HB TYR 71 -7.685 19.917 10.227 585 2HB TYR 71 2HB TYR 71 -7.710 20.998 11.605 586 HD1 TYR 71 1HD TYR 71 -7.279 20.749 7.977 587 HD2 TYR 71 2HD TYR 71 -7.183 23.395 11.338 588 HE1 TYR 71 1HE TYR 71 -7.375 22.752 6.414 589 HE2 TYR 71 2HE TYR 71 -7.280 25.389 9.763 590 HH TYR 71 HH TYR 71 -7.086 24.941 6.276 591 H GLU 72 H GLU 72 -5.991 22.412 12.571 592 HA GLU 72 HA GLU 72 -5.935 22.852 14.698 593 1HB GLU 72 1HB GLU 72 -7.226 20.360 14.622 594 2HB GLU 72 2HB GLU 72 -5.993 20.143 15.849 595 1HG GLU 72 1HG GLU 72 -6.872 22.568 16.642 596 2HG GLU 72 2HG GLU 72 -8.326 22.049 15.816 597 HA PRO 73 HA PRO 73 -1.572 21.819 14.921 598 1HB PRO 73 1HB PRO 73 -0.650 24.376 15.208 599 2HB PRO 73 2HB PRO 73 -0.814 23.585 13.653 600 1HG PRO 73 1HG PRO 73 -2.521 25.675 14.857 601 2HG PRO 73 2HG PRO 73 -2.405 25.184 13.179 602 1HD PRO 73 1HD PRO 73 -4.496 24.511 15.024 603 2HD PRO 73 2HD PRO 73 -4.320 23.927 13.382 604 H LYS 74 H LYS 74 -3.336 24.093 16.927 605 HA LYS 74 HA LYS 74 -3.148 22.786 19.246 606 1HB LYS 74 1HB LYS 74 -0.487 23.746 18.512 607 2HB LYS 74 2HB LYS 74 -1.005 24.367 20.066 608 1HG LYS 74 1HG LYS 74 -1.521 21.454 19.528 609 2HG LYS 74 2HG LYS 74 0.147 21.930 19.780 610 1HD LYS 74 1HD LYS 74 -0.383 21.646 21.998 611 2HD LYS 74 2HD LYS 74 -1.000 23.279 21.853 612 1HE LYS 74 2HE LYS 74 -3.117 22.571 22.265 613 2HE LYS 74 3HE LYS 74 -3.043 21.441 20.928 614 1HZ LYS 74 1HZ LYS 74 -2.771 20.937 23.691 615 2HZ LYS 74 2HZ LYS 74 -3.041 19.885 22.472 616 3HZ LYS 74 3HZ LYS 74 -1.513 20.312 22.859 617 H LEU 75 H LEU 75 -1.738 26.079 18.731 618 HA LEU 75 HA LEU 75 -2.469 28.079 19.313 619 1HB LEU 75 1HB LEU 75 -4.215 27.176 17.545 620 2HB LEU 75 2HB LEU 75 -5.316 27.277 18.905 621 HG LEU 75 HG LEU 75 -5.455 29.282 17.561 622 1HD1 LEU 75 1HD1 LEU 75 -5.778 30.572 19.349 623 2HD1 LEU 75 2HD1 LEU 75 -5.131 29.217 20.306 624 3HD1 LEU 75 3HD1 LEU 75 -4.054 30.539 19.794 625 1HD2 LEU 75 1HD2 LEU 75 -2.734 28.959 17.155 626 2HD2 LEU 75 2HD2 LEU 75 -3.730 30.337 16.627 627 3HD2 LEU 75 3HD2 LEU 75 -2.839 30.420 18.166 628 H LYS 76 H LYS 76 -1.712 27.641 21.511 629 HA LYS 76 HA LYS 76 -1.936 27.467 23.708 630 1HB LYS 76 1HB LYS 76 -3.101 29.650 23.137 631 2HB LYS 76 2HB LYS 76 -4.624 28.802 23.314 632 1HG LYS 76 1HG LYS 76 -4.438 29.444 25.510 633 2HG LYS 76 2HG LYS 76 -3.417 28.026 25.638 634 1HD LYS 76 1HD LYS 76 -1.811 30.221 24.640 635 2HD LYS 76 2HD LYS 76 -2.689 30.776 26.051 636 1HE LYS 76 2HE LYS 76 -0.918 29.815 27.173 637 2HE LYS 76 3HE LYS 76 -1.881 28.360 27.001 638 1HZ LYS 76 1HZ LYS 76 -0.584 27.633 25.281 639 2HZ LYS 76 2HZ LYS 76 -0.037 29.116 24.876 640 3HZ LYS 76 3HZ LYS 76 0.535 28.372 26.213 Start of MODEL 13 1 H MET 1 H MET 1 17.570 -21.098 12.500 2 HA MET 1 HA MET 1 15.365 -22.139 13.721 3 1HB MET 1 1HB MET 1 16.418 -24.241 14.762 4 2HB MET 1 2HB MET 1 16.045 -24.385 13.055 5 1HG MET 1 1HG MET 1 18.599 -23.392 12.891 6 2HG MET 1 2HG MET 1 18.712 -24.256 14.411 7 1HE MET 1 1HE MET 1 19.738 -25.482 10.733 8 2HE MET 1 2HE MET 1 20.320 -24.601 12.166 9 3HE MET 1 3HE MET 1 20.507 -26.369 12.070 10 H LEU 2 H LEU 2 18.883 -21.530 13.804 11 HA LEU 2 HA LEU 2 19.069 -21.258 16.604 12 1HB LEU 2 1HB LEU 2 20.769 -20.432 14.269 13 2HB LEU 2 2HB LEU 2 21.180 -19.943 15.901 14 HG LEU 2 HG LEU 2 20.692 -22.848 15.321 15 1HD1 LEU 2 1HD1 LEU 2 22.996 -21.211 14.360 16 2HD1 LEU 2 2HD1 LEU 2 23.325 -22.834 15.012 17 3HD1 LEU 2 3HD1 LEU 2 22.214 -22.638 13.635 18 1HD2 LEU 2 1HD2 LEU 2 22.893 -21.971 17.080 19 2HD2 LEU 2 2HD2 LEU 2 21.260 -21.508 17.618 20 3HD2 LEU 2 3HD2 LEU 2 21.646 -23.220 17.320 21 H LYS 3 H LYS 3 19.617 -19.139 17.717 22 HA LYS 3 HA LYS 3 17.916 -17.020 16.597 23 1HB LYS 3 1HB LYS 3 17.223 -16.446 18.815 24 2HB LYS 3 2HB LYS 3 16.943 -18.160 18.582 25 1HG LYS 3 1HG LYS 3 18.211 -18.597 20.408 26 2HG LYS 3 2HG LYS 3 19.609 -17.945 19.576 27 1HD LYS 3 1HD LYS 3 19.401 -15.831 20.575 28 2HD LYS 3 2HD LYS 3 17.672 -15.990 20.811 29 1HE LYS 3 2HE LYS 3 18.967 -18.085 22.322 30 2HE LYS 3 3HE LYS 3 19.789 -16.579 22.680 31 1HZ LYS 3 1HZ LYS 3 18.004 -15.800 23.718 32 2HZ LYS 3 2HZ LYS 3 16.942 -16.362 22.613 33 3HZ LYS 3 3HZ LYS 3 17.498 -17.351 23.788 34 H ASN 4 H ASN 4 18.776 -14.970 16.440 35 HA ASN 4 HA ASN 4 21.092 -14.297 17.919 36 1HB ASN 4 1HB ASN 4 21.400 -14.354 14.879 37 2HB ASN 4 2HB ASN 4 22.648 -14.018 16.063 38 1HD2 ASN 4 1HD2 ASN 4 23.815 -15.615 16.900 39 2HD2 ASN 4 2HD2 ASN 4 23.581 -17.307 16.613 40 H LEU 5 H LEU 5 21.517 -11.949 17.707 41 HA LEU 5 HA LEU 5 19.335 -10.367 17.366 42 1HB LEU 5 1HB LEU 5 22.271 -9.943 17.418 43 2HB LEU 5 2HB LEU 5 21.300 -8.620 16.806 44 HG LEU 5 HG LEU 5 21.832 -8.452 19.224 45 1HD1 LEU 5 1HD1 LEU 5 19.668 -7.705 19.924 46 2HD1 LEU 5 2HD1 LEU 5 19.835 -7.368 18.184 47 3HD1 LEU 5 3HD1 LEU 5 18.860 -8.752 18.733 48 1HD2 LEU 5 1HD2 LEU 5 19.910 -10.742 19.664 49 2HD2 LEU 5 2HD2 LEU 5 21.677 -10.954 19.614 50 3HD2 LEU 5 3HD2 LEU 5 20.939 -9.910 20.853 51 H ALA 6 H ALA 6 19.184 -8.480 15.665 52 HA ALA 6 HA ALA 6 18.867 -7.826 13.569 53 1HB ALA 6 1HB ALA 6 21.326 -8.910 13.426 54 2HB ALA 6 2HB ALA 6 20.469 -10.042 12.352 55 3HB ALA 6 3HB ALA 6 20.469 -8.299 11.990 56 H LYS 7 H LYS 7 16.655 -8.619 14.144 57 HA LYS 7 HA LYS 7 15.894 -11.213 13.245 58 1HB LYS 7 1HB LYS 7 13.955 -10.801 14.327 59 2HB LYS 7 2HB LYS 7 14.888 -9.519 15.074 60 1HG LYS 7 1HG LYS 7 14.091 -7.948 13.243 61 2HG LYS 7 2HG LYS 7 13.065 -9.234 12.640 62 1HD LYS 7 1HD LYS 7 12.871 -8.500 15.564 63 2HD LYS 7 2HD LYS 7 12.140 -7.426 14.388 64 1HE LYS 7 2HE LYS 7 10.842 -9.357 13.444 65 2HE LYS 7 3HE LYS 7 11.562 -10.418 14.638 66 1HZ LYS 7 1HZ LYS 7 9.305 -9.089 15.008 67 2HZ LYS 7 2HZ LYS 7 10.262 -9.596 16.231 68 3HZ LYS 7 3HZ LYS 7 10.352 -8.051 15.710 69 H LEU 8 H LEU 8 16.225 -8.009 11.824 70 HA LEU 8 HA LEU 8 15.957 -7.277 9.759 71 1HB LEU 8 1HB LEU 8 16.902 -9.792 9.446 72 2HB LEU 8 2HB LEU 8 15.399 -9.919 8.553 73 HG LEU 8 HG LEU 8 16.074 -7.975 7.165 74 1HD1 LEU 8 1HD1 LEU 8 18.607 -8.134 8.810 75 2HD1 LEU 8 2HD1 LEU 8 18.503 -7.305 7.239 76 3HD1 LEU 8 3HD1 LEU 8 17.509 -6.748 8.606 77 1HD2 LEU 8 1HD2 LEU 8 18.311 -9.969 7.006 78 2HD2 LEU 8 2HD2 LEU 8 16.632 -10.487 6.721 79 3HD2 LEU 8 3HD2 LEU 8 17.357 -9.217 5.706 80 H ASP 9 H ASP 9 14.120 -6.049 9.857 81 HA ASP 9 HA ASP 9 11.889 -6.915 8.515 82 1HB ASP 9 1HB ASP 9 10.224 -7.205 10.251 83 2HB ASP 9 2HB ASP 9 11.546 -8.300 10.602 84 H GLN 10 H GLN 10 13.533 -4.648 8.449 85 HA GLN 10 HA GLN 10 12.509 -2.584 10.081 86 1HB GLN 10 1HB GLN 10 13.985 -1.125 8.801 87 2HB GLN 10 2HB GLN 10 14.833 -2.615 9.162 88 1HG GLN 10 1HG GLN 10 13.478 -3.079 6.695 89 2HG GLN 10 2HG GLN 10 14.161 -1.471 6.563 90 1HE2 GLN 10 1HE2 GLN 10 16.362 -1.149 6.638 91 2HE2 GLN 10 2HE2 GLN 10 17.523 -2.422 6.456 92 H THR 11 H THR 11 11.443 -4.155 7.188 93 HA THR 11 HA THR 11 10.170 -1.948 5.942 94 HB THR 11 HB THR 11 9.630 -4.961 5.776 95 HG1 THR 11 1HG THR 11 11.765 -4.654 5.128 96 1HG2 THR 11 1HG2 THR 11 8.442 -4.542 3.834 97 2HG2 THR 11 2HG2 THR 11 8.155 -2.955 4.588 98 3HG2 THR 11 3HG2 THR 11 9.465 -3.151 3.400 99 H GLU 12 H GLU 12 8.946 -4.583 8.107 100 HA GLU 12 HA GLU 12 6.348 -3.697 8.129 101 1HB GLU 12 1HB GLU 12 7.461 -5.874 9.082 102 2HB GLU 12 2HB GLU 12 7.659 -4.950 10.558 103 1HG GLU 12 1HG GLU 12 5.117 -4.390 10.331 104 2HG GLU 12 2HG GLU 12 5.065 -5.682 9.149 105 H MET 13 H MET 13 9.229 -2.478 9.780 106 HA MET 13 HA MET 13 8.005 -1.158 11.866 107 1HB MET 13 1HB MET 13 10.582 -1.514 10.943 108 2HB MET 13 2HB MET 13 10.338 0.164 10.500 109 1HG MET 13 1HG MET 13 10.527 0.852 12.663 110 2HG MET 13 2HG MET 13 9.343 -0.319 13.210 111 1HE MET 13 1HE MET 13 9.625 -1.728 14.609 112 2HE MET 13 2HE MET 13 10.882 -2.980 14.751 113 3HE MET 13 3HE MET 13 11.049 -1.447 15.638 114 H ASP 14 H ASP 14 8.387 -0.298 8.420 115 HA ASP 14 HA ASP 14 7.533 2.381 8.878 116 1HB ASP 14 1HB ASP 14 9.095 1.481 6.997 117 2HB ASP 14 2HB ASP 14 7.634 0.914 6.212 118 H LYS 15 H LYS 15 6.173 -0.795 8.131 119 HA LYS 15 HA LYS 15 3.715 0.242 7.064 120 1HB LYS 15 1HB LYS 15 4.983 -2.404 7.455 121 2HB LYS 15 2HB LYS 15 3.237 -2.391 7.608 122 1HG LYS 15 1HG LYS 15 3.929 -2.792 5.256 123 2HG LYS 15 2HG LYS 15 3.007 -1.309 5.399 124 1HD LYS 15 1HD LYS 15 6.006 -1.127 5.658 125 2HD LYS 15 2HD LYS 15 5.342 -1.403 4.061 126 1HE LYS 15 2HE LYS 15 3.707 0.636 5.107 127 2HE LYS 15 3HE LYS 15 5.304 1.048 5.699 128 1HZ LYS 15 1HZ LYS 15 4.649 0.476 2.891 129 2HZ LYS 15 2HZ LYS 15 4.882 1.964 3.523 130 3HZ LYS 15 3HZ LYS 15 6.122 0.903 3.454 131 H VAL 16 H VAL 16 4.975 -1.030 10.179 132 HA VAL 16 HA VAL 16 2.513 -1.195 11.480 133 HB VAL 16 HB VAL 16 5.226 -1.625 12.031 134 1HG1 VAL 16 1HG1 VAL 16 5.231 0.708 12.976 135 2HG1 VAL 16 2HG1 VAL 16 4.041 0.160 14.180 136 3HG1 VAL 16 3HG1 VAL 16 5.666 -0.567 14.139 137 1HG2 VAL 16 1HG2 VAL 16 3.966 -3.313 12.845 138 2HG2 VAL 16 2HG2 VAL 16 3.971 -2.350 14.342 139 3HG2 VAL 16 3HG2 VAL 16 2.591 -2.247 13.221 140 H ASN 17 H ASN 17 4.245 1.519 10.262 141 HA ASN 17 HA ASN 17 3.238 3.308 12.258 142 1HB ASN 17 1HB ASN 17 5.373 3.943 11.369 143 2HB ASN 17 2HB ASN 17 4.891 3.602 9.720 144 1HD2 ASN 17 1HD2 ASN 17 3.204 4.947 8.765 145 2HD2 ASN 17 2HD2 ASN 17 3.107 6.625 9.178 146 H VAL 18 H VAL 18 3.036 3.036 8.618 147 HA VAL 18 HA VAL 18 0.877 4.771 8.342 148 HB VAL 18 HB VAL 18 2.047 2.568 6.658 149 1HG1 VAL 18 1HG1 VAL 18 -0.176 4.453 5.808 150 2HG1 VAL 18 2HG1 VAL 18 0.626 3.221 4.806 151 3HG1 VAL 18 3HG1 VAL 18 -0.390 2.727 6.182 152 1HG2 VAL 18 1HG2 VAL 18 3.527 4.238 6.344 153 2HG2 VAL 18 2HG2 VAL 18 2.278 4.921 5.275 154 3HG2 VAL 18 3HG2 VAL 18 2.410 5.480 6.959 155 H ASP 19 H ASP 19 1.063 1.612 9.705 156 HA ASP 19 HA ASP 19 -1.274 0.471 8.918 157 1HB ASP 19 1HB ASP 19 0.653 -0.277 10.594 158 2HB ASP 19 2HB ASP 19 -0.410 0.383 11.820 159 H LEU 20 H LEU 20 -0.700 3.367 10.770 160 HA LEU 20 HA LEU 20 -3.425 3.307 11.851 161 1HB LEU 20 1HB LEU 20 -0.891 4.123 12.905 162 2HB LEU 20 2HB LEU 20 -1.942 5.523 12.820 163 HG LEU 20 HG LEU 20 -3.592 3.582 13.914 164 1HD1 LEU 20 1HD1 LEU 20 -0.790 2.907 14.495 165 2HD1 LEU 20 2HD1 LEU 20 -1.820 3.074 15.938 166 3HD1 LEU 20 3HD1 LEU 20 -2.272 1.931 14.650 167 1HD2 LEU 20 1HD2 LEU 20 -2.645 4.920 16.112 168 2HD2 LEU 20 2HD2 LEU 20 -2.212 6.024 14.784 169 3HD2 LEU 20 3HD2 LEU 20 -3.903 5.512 15.002 170 H ALA 21 H ALA 21 -1.328 4.671 9.422 171 HA ALA 21 HA ALA 21 -2.185 7.161 8.975 172 1HB ALA 21 1HB ALA 21 -1.903 6.630 6.532 173 2HB ALA 21 2HB ALA 21 -0.570 6.043 7.554 174 3HB ALA 21 3HB ALA 21 -1.808 4.906 6.966 175 H ALA 22 H ALA 22 -3.721 4.788 6.785 176 HA ALA 22 HA ALA 22 -6.325 5.890 7.594 177 1HB ALA 22 1HB ALA 22 -5.018 6.333 5.187 178 2HB ALA 22 2HB ALA 22 -6.093 4.965 4.809 179 3HB ALA 22 3HB ALA 22 -6.772 6.477 5.457 180 H ALA 23 H ALA 23 -7.908 4.199 5.970 181 HA ALA 23 HA ALA 23 -7.667 1.767 7.497 182 1HB ALA 23 1HB ALA 23 -9.832 1.263 6.216 183 2HB ALA 23 2HB ALA 23 -9.862 2.673 7.301 184 3HB ALA 23 3HB ALA 23 -9.694 2.906 5.545 185 H GLY 24 H GLY 24 -8.926 1.546 4.227 186 1HA GLY 24 1HA GLY 24 -6.570 0.758 2.888 187 2HA GLY 24 2HA GLY 24 -7.356 -0.661 3.553 188 H VAL 25 H VAL 25 -8.652 2.433 2.142 189 HA VAL 25 HA VAL 25 -10.174 0.751 0.272 190 HB VAL 25 HB VAL 25 -11.089 3.492 0.949 191 1HG1 VAL 25 1HG1 VAL 25 -13.267 1.913 1.082 192 2HG1 VAL 25 2HG1 VAL 25 -12.620 2.551 -0.447 193 3HG1 VAL 25 3HG1 VAL 25 -12.230 0.890 0.061 194 1HG2 VAL 25 1HG2 VAL 25 -10.827 3.057 3.175 195 2HG2 VAL 25 2HG2 VAL 25 -12.377 2.218 2.922 196 3HG2 VAL 25 3HG2 VAL 25 -10.857 1.291 2.950 197 H ALA 26 H ALA 26 -9.298 4.265 0.566 198 HA ALA 26 HA ALA 26 -9.158 4.841 -2.067 199 1HB ALA 26 1HB ALA 26 -8.198 6.800 -1.365 200 2HB ALA 26 2HB ALA 26 -8.661 6.169 0.234 201 3HB ALA 26 3HB ALA 26 -6.992 5.972 -0.351 202 H PHE 27 H PHE 27 -6.630 3.267 -0.033 203 HA PHE 27 HA PHE 27 -4.590 3.288 -1.891 204 1HB PHE 27 1HB PHE 27 -5.459 1.202 0.200 205 2HB PHE 27 2HB PHE 27 -3.861 1.244 -0.519 206 HD1 PHE 27 1HD PHE 27 -4.777 1.511 2.458 207 HD2 PHE 27 2HD PHE 27 -3.607 4.315 -0.504 208 HE1 PHE 27 1HE PHE 27 -4.010 3.087 4.254 209 HE2 PHE 27 2HE PHE 27 -2.839 5.892 1.292 210 HZ PHE 27 HZ PHE 27 -3.049 5.259 3.650 211 H LYS 28 H LYS 28 -7.402 1.086 -1.520 212 HA LYS 28 HA LYS 28 -7.384 0.327 -4.183 213 1HB LYS 28 1HB LYS 28 -5.248 -0.877 -3.021 214 2HB LYS 28 2HB LYS 28 -6.481 -2.080 -2.701 215 1HG LYS 28 1HG LYS 28 -6.273 -2.803 -4.838 216 2HG LYS 28 2HG LYS 28 -6.931 -1.275 -5.386 217 1HD LYS 28 1HD LYS 28 -4.657 -0.277 -5.425 218 2HD LYS 28 2HD LYS 28 -3.973 -1.760 -4.793 219 1HE LYS 28 2HE LYS 28 -4.748 -2.996 -6.821 220 2HE LYS 28 3HE LYS 28 -5.467 -1.527 -7.450 221 1HZ LYS 28 1HZ LYS 28 -3.055 -0.653 -7.043 222 2HZ LYS 28 2HZ LYS 28 -2.672 -2.231 -7.221 223 3HZ LYS 28 3HZ LYS 28 -3.450 -1.439 -8.419 224 H GLU 29 H GLU 29 -9.468 -0.207 -4.567 225 HA GLU 29 HA GLU 29 -10.978 -1.114 -2.251 226 1HB GLU 29 1HB GLU 29 -12.798 -0.438 -4.289 227 2HB GLU 29 2HB GLU 29 -12.403 0.522 -2.877 228 1HG GLU 29 1HG GLU 29 -10.446 1.506 -4.180 229 2HG GLU 29 2HG GLU 29 -11.021 0.651 -5.597 230 H ARG 30 H ARG 30 -10.424 -1.689 -5.779 231 HA ARG 30 HA ARG 30 -10.758 -3.406 -7.048 232 1HB ARG 30 1HB ARG 30 -9.662 -4.457 -4.605 233 2HB ARG 30 2HB ARG 30 -10.850 -5.618 -5.164 234 1HG ARG 30 1HG ARG 30 -9.182 -6.387 -6.522 235 2HG ARG 30 2HG ARG 30 -9.566 -5.009 -7.533 236 1HD ARG 30 1HD ARG 30 -7.799 -4.188 -5.351 237 2HD ARG 30 2HD ARG 30 -7.098 -5.540 -6.218 238 HE ARG 30 HE ARG 30 -7.242 -2.870 -7.183 239 1HH1 ARG 30 1HH1 ARG 30 -6.941 -3.592 -10.585 240 2HH1 ARG 30 2HH1 ARG 30 -6.811 -2.364 -9.370 241 1HH2 ARG 30 1HH2 ARG 30 -7.553 -5.751 -9.990 242 2HH2 ARG 30 2HH2 ARG 30 -7.880 -6.133 -8.332 243 H TYR 31 H TYR 31 -12.305 -4.866 -4.106 244 HA TYR 31 HA TYR 31 -14.480 -5.917 -5.412 245 1HB TYR 31 1HB TYR 31 -15.431 -5.471 -2.910 246 2HB TYR 31 2HB TYR 31 -14.140 -6.628 -3.170 247 HD1 TYR 31 1HD TYR 31 -11.942 -6.261 -2.291 248 HD2 TYR 31 2HD TYR 31 -14.884 -3.163 -2.073 249 HE1 TYR 31 1HE TYR 31 -10.457 -4.952 -0.696 250 HE2 TYR 31 2HE TYR 31 -13.390 -1.865 -0.479 251 HH TYR 31 HH TYR 31 -10.731 -1.839 -0.125 252 H ASN 32 H ASN 32 -13.773 -2.582 -4.732 253 HA ASN 32 HA ASN 32 -14.863 -0.743 -5.089 254 1HB ASN 32 1HB ASN 32 -15.546 -1.604 -7.274 255 2HB ASN 32 2HB ASN 32 -16.799 -2.600 -6.559 256 1HD2 ASN 32 1HD2 ASN 32 -15.715 0.794 -6.618 257 2HD2 ASN 32 2HD2 ASN 32 -17.280 1.522 -6.766 258 H MET 33 H MET 33 -15.174 -1.360 -2.564 259 HA MET 33 HA MET 33 -17.898 -1.924 -1.894 260 1HB MET 33 1HB MET 33 -15.268 -1.542 -0.445 261 2HB MET 33 2HB MET 33 -16.734 -1.311 0.489 262 1HG MET 33 1HG MET 33 -16.535 -3.781 -1.238 263 2HG MET 33 2HG MET 33 -15.595 -3.736 0.241 264 1HE MET 33 1HE MET 33 -19.452 -5.485 0.233 265 2HE MET 33 2HE MET 33 -18.817 -4.752 -1.259 266 3HE MET 33 3HE MET 33 -17.799 -5.862 -0.308 267 HA PRO 34 HA PRO 34 -19.150 2.161 -1.126 268 1HB PRO 34 1HB PRO 34 -20.734 1.980 1.095 269 2HB PRO 34 2HB PRO 34 -21.275 1.524 -0.508 270 1HG PRO 34 1HG PRO 34 -20.504 -0.218 1.753 271 2HG PRO 34 2HG PRO 34 -21.434 -0.621 0.323 272 1HD PRO 34 1HD PRO 34 -18.685 -1.274 0.825 273 2HD PRO 34 2HD PRO 34 -19.582 -1.575 -0.651 274 H VAL 35 H VAL 35 -19.530 3.943 0.726 275 HA VAL 35 HA VAL 35 -16.928 4.509 1.574 276 HB VAL 35 HB VAL 35 -17.975 6.347 2.783 277 1HG1 VAL 35 1HG1 VAL 35 -19.341 7.285 0.811 278 2HG1 VAL 35 2HG1 VAL 35 -17.649 6.825 0.504 279 3HG1 VAL 35 3HG1 VAL 35 -18.970 5.748 -0.007 280 1HG2 VAL 35 1HG2 VAL 35 -19.908 5.686 3.813 281 2HG2 VAL 35 2HG2 VAL 35 -20.609 6.441 2.361 282 3HG2 VAL 35 3HG2 VAL 35 -20.426 4.672 2.445 283 H ILE 36 H ILE 36 -16.532 2.247 2.505 284 HA ILE 36 HA ILE 36 -16.939 2.445 5.369 285 HB ILE 36 HB ILE 36 -18.287 0.502 3.635 286 1HG1 ILE 36 1HG1 ILE 36 -18.829 0.934 6.554 287 2HG1 ILE 36 2HG1 ILE 36 -19.159 2.237 5.429 288 1HG2 ILE 36 1HG2 ILE 36 -16.612 -1.027 4.366 289 2HG2 ILE 36 2HG2 ILE 36 -16.712 -0.438 6.042 290 3HG2 ILE 36 3HG2 ILE 36 -18.075 -1.336 5.332 291 1HD1 ILE 36 1HD1 ILE 36 -20.213 -0.032 4.141 292 2HD1 ILE 36 2HD1 ILE 36 -20.632 -0.262 5.855 293 3HD1 ILE 36 3HD1 ILE 36 -21.141 1.217 5.006 294 H ALA 37 H ALA 37 -15.422 1.050 6.575 295 HA ALA 37 HA ALA 37 -13.059 0.489 4.919 296 1HB ALA 37 1HB ALA 37 -13.431 2.095 7.231 297 2HB ALA 37 2HB ALA 37 -12.523 0.658 7.757 298 3HB ALA 37 3HB ALA 37 -11.896 1.671 6.435 299 H GLU 38 H GLU 38 -15.220 -0.665 7.553 300 HA GLU 38 HA GLU 38 -13.861 -2.939 8.204 301 1HB GLU 38 1HB GLU 38 -15.908 -1.969 9.343 302 2HB GLU 38 2HB GLU 38 -16.893 -2.643 8.060 303 1HG GLU 38 1HG GLU 38 -16.859 -4.700 9.018 304 2HG GLU 38 2HG GLU 38 -15.108 -4.703 9.079 305 H ALA 39 H ALA 39 -16.376 -2.441 5.638 306 HA ALA 39 HA ALA 39 -16.324 -5.116 4.753 307 1HB ALA 39 1HB ALA 39 -17.034 -2.820 2.945 308 2HB ALA 39 2HB ALA 39 -17.856 -4.381 3.178 309 3HB ALA 39 3HB ALA 39 -18.017 -3.099 4.402 310 H VAL 40 H VAL 40 -14.230 -2.325 4.272 311 HA VAL 40 HA VAL 40 -13.113 -3.157 1.815 312 HB VAL 40 HB VAL 40 -12.704 -1.097 3.855 313 1HG1 VAL 40 1HG1 VAL 40 -10.309 -2.116 2.286 314 2HG1 VAL 40 2HG1 VAL 40 -10.375 -0.575 3.176 315 3HG1 VAL 40 3HG1 VAL 40 -10.505 -2.117 4.056 316 1HG2 VAL 40 1HG2 VAL 40 -12.835 0.315 2.069 317 2HG2 VAL 40 2HG2 VAL 40 -11.885 -0.753 1.008 318 3HG2 VAL 40 3HG2 VAL 40 -13.600 -1.110 1.325 319 H GLU 41 H GLU 41 -12.337 -3.739 5.281 320 HA GLU 41 HA GLU 41 -9.954 -5.117 4.648 321 1HB GLU 41 1HB GLU 41 -11.414 -4.281 7.044 322 2HB GLU 41 2HB GLU 41 -10.796 -5.911 7.229 323 1HG GLU 41 1HG GLU 41 -8.567 -5.243 7.088 324 2HG GLU 41 2HG GLU 41 -8.921 -3.884 6.040 325 H ARG 42 H ARG 42 -13.379 -5.982 5.183 326 HA ARG 42 HA ARG 42 -13.044 -8.670 5.592 327 1HB ARG 42 1HB ARG 42 -15.205 -7.534 5.914 328 2HB ARG 42 2HB ARG 42 -15.301 -7.138 4.209 329 1HG ARG 42 1HG ARG 42 -16.501 -9.064 3.994 330 2HG ARG 42 2HG ARG 42 -14.961 -9.893 4.117 331 1HD ARG 42 1HD ARG 42 -15.547 -9.457 6.791 332 2HD ARG 42 2HD ARG 42 -17.154 -9.666 6.124 333 HE ARG 42 HE ARG 42 -15.605 -11.736 5.011 334 1HH1 ARG 42 1HH1 ARG 42 -15.924 -14.100 7.558 335 2HH1 ARG 42 2HH1 ARG 42 -15.536 -13.844 5.889 336 1HH2 ARG 42 1HH2 ARG 42 -16.512 -12.301 8.901 337 2HH2 ARG 42 2HH2 ARG 42 -16.563 -10.703 8.235 338 H GLU 43 H GLU 43 -13.086 -6.704 2.597 339 HA GLU 43 HA GLU 43 -13.153 -9.023 0.936 340 1HB GLU 43 1HB GLU 43 -12.658 -6.088 0.266 341 2HB GLU 43 2HB GLU 43 -12.885 -7.357 -0.920 342 1HG GLU 43 1HG GLU 43 -14.985 -7.110 1.218 343 2HG GLU 43 2HG GLU 43 -14.934 -5.839 0.014 344 H GLN 44 H GLN 44 -10.824 -6.254 0.760 345 HA GLN 44 HA GLN 44 -8.622 -7.869 1.433 346 1HB GLN 44 1HB GLN 44 -9.468 -8.215 -1.207 347 2HB GLN 44 2HB GLN 44 -8.194 -7.023 -1.362 348 1HG GLN 44 1HG GLN 44 -7.529 -9.254 0.488 349 2HG GLN 44 2HG GLN 44 -7.799 -9.765 -1.167 350 1HE2 GLN 44 1HE2 GLN 44 -5.849 -10.124 -1.951 351 2HE2 GLN 44 2HE2 GLN 44 -4.527 -9.006 -1.988 352 HA PRO 45 HA PRO 45 -7.839 -3.525 1.969 353 1HB PRO 45 1HB PRO 45 -6.345 -3.758 4.245 354 2HB PRO 45 2HB PRO 45 -8.087 -3.570 4.258 355 1HG PRO 45 1HG PRO 45 -6.483 -6.000 4.763 356 2HG PRO 45 2HG PRO 45 -8.156 -5.683 5.178 357 1HD PRO 45 1HD PRO 45 -7.203 -7.308 3.016 358 2HD PRO 45 2HD PRO 45 -8.871 -6.896 3.361 359 H GLU 46 H GLU 46 -6.373 -2.296 0.954 360 HA GLU 46 HA GLU 46 -4.252 -3.609 -0.246 361 1HB GLU 46 1HB GLU 46 -5.265 -1.538 -1.134 362 2HB GLU 46 2HB GLU 46 -4.689 -0.632 0.252 363 1HG GLU 46 1HG GLU 46 -2.673 -2.185 -1.374 364 2HG GLU 46 2HG GLU 46 -3.307 -0.697 -2.047 365 H HIS 47 H HIS 47 -4.486 -1.620 2.748 366 HA HIS 47 HA HIS 47 -1.770 -1.400 3.239 367 1HB HIS 47 1HB HIS 47 -2.371 -0.676 5.387 368 2HB HIS 47 2HB HIS 47 -3.699 -0.189 4.352 369 HD1 HIS 47 1HD HIS 47 -5.950 -1.637 4.532 370 HD2 HIS 47 2HD HIS 47 -3.041 -2.413 7.454 371 HE1 HIS 47 1HE HIS 47 -7.131 -2.920 6.394 372 H LEU 48 H LEU 48 -3.800 -4.183 3.179 373 HA LEU 48 HA LEU 48 -2.179 -5.647 5.081 374 1HB LEU 48 1HB LEU 48 -4.784 -5.958 3.773 375 2HB LEU 48 2HB LEU 48 -3.866 -7.447 3.871 376 HG LEU 48 HG LEU 48 -5.311 -7.304 5.775 377 1HD1 LEU 48 1HD1 LEU 48 -2.693 -6.572 7.024 378 2HD1 LEU 48 2HD1 LEU 48 -3.817 -7.896 7.409 379 3HD1 LEU 48 3HD1 LEU 48 -2.779 -8.001 5.967 380 1HD2 LEU 48 1HD2 LEU 48 -5.925 -5.382 6.687 381 2HD2 LEU 48 2HD2 LEU 48 -4.262 -5.091 7.250 382 3HD2 LEU 48 3HD2 LEU 48 -4.770 -4.521 5.642 383 H ARG 49 H ARG 49 -3.046 -5.825 1.556 384 HA ARG 49 HA ARG 49 -1.467 -7.868 0.861 385 1HB ARG 49 1HB ARG 49 -1.729 -7.123 -1.358 386 2HB ARG 49 2HB ARG 49 -3.027 -6.264 -0.554 387 1HG ARG 49 1HG ARG 49 -1.295 -4.338 -0.211 388 2HG ARG 49 2HG ARG 49 -0.309 -5.180 -1.389 389 1HD ARG 49 1HD ARG 49 -3.121 -4.070 -1.811 390 2HD ARG 49 2HD ARG 49 -1.643 -3.513 -2.571 391 HE ARG 49 HE ARG 49 -2.284 -6.353 -3.048 392 1HH1 ARG 49 1HH1 ARG 49 -2.939 -5.764 -6.425 393 2HH1 ARG 49 2HH1 ARG 49 -2.686 -6.973 -5.211 394 1HH2 ARG 49 1HH2 ARG 49 -2.870 -3.516 -5.857 395 2HH2 ARG 49 2HH2 ARG 49 -2.564 -3.046 -4.219 396 H SER 50 H SER 50 -0.524 -4.478 1.546 397 HA SER 50 HA SER 50 2.141 -4.909 0.630 398 1HB SER 50 1HB SER 50 1.493 -2.683 0.337 399 2HB SER 50 2HB SER 50 0.593 -2.629 1.840 400 HG SER 50 HG SER 50 2.635 -1.404 1.865 401 H TRP 51 H TRP 51 0.325 -4.825 3.723 402 HA TRP 51 HA TRP 51 2.646 -4.902 5.362 403 1HB TRP 51 1HB TRP 51 -0.298 -5.117 5.748 404 2HB TRP 51 2HB TRP 51 0.734 -5.781 6.999 405 HD1 TRP 51 HD TRP 51 1.011 -4.005 8.884 406 HE1 TRP 51 1HE TRP 51 1.325 -1.396 9.125 407 HE3 TRP 51 3HE TRP 51 0.768 -2.986 3.909 408 HZ2 TRP 51 2HZ TRP 51 1.434 0.752 7.251 409 HZ3 TRP 51 3HZ TRP 51 0.987 -0.607 3.197 410 HH2 TRP 51 HH TRP 51 1.310 1.231 4.778 411 H PHE 52 H PHE 52 1.101 -7.120 3.254 412 HA PHE 52 HA PHE 52 1.944 -9.426 4.827 413 1HB PHE 52 1HB PHE 52 -0.022 -8.724 2.691 414 2HB PHE 52 2HB PHE 52 0.811 -10.229 2.359 415 HD1 PHE 52 1HD PHE 52 0.102 -9.095 5.784 416 HD2 PHE 52 2HD PHE 52 -1.140 -11.605 2.595 417 HE1 PHE 52 1HE PHE 52 -1.456 -10.302 7.339 418 HE2 PHE 52 2HE PHE 52 -2.697 -12.811 4.151 419 HZ PHE 52 HZ PHE 52 -2.837 -12.145 6.504 420 H ARG 53 H ARG 53 2.565 -7.650 1.775 421 HA ARG 53 HA ARG 53 4.572 -9.624 1.116 422 1HB ARG 53 1HB ARG 53 2.756 -8.142 -0.444 423 2HB ARG 53 2HB ARG 53 4.285 -7.337 -0.736 424 1HG ARG 53 1HG ARG 53 5.243 -9.201 -1.757 425 2HG ARG 53 2HG ARG 53 4.310 -10.341 -0.808 426 1HD ARG 53 1HD ARG 53 3.154 -10.592 -2.790 427 2HD ARG 53 2HD ARG 53 2.265 -9.206 -2.188 428 HE ARG 53 HE ARG 53 3.281 -7.852 -3.820 429 1HH1 ARG 53 1HH1 ARG 53 5.691 -8.660 -6.211 430 2HH1 ARG 53 2HH1 ARG 53 4.547 -7.471 -5.683 431 1HH2 ARG 53 1HH2 ARG 53 5.936 -10.641 -5.025 432 2HH2 ARG 53 2HH2 ARG 53 4.976 -10.929 -3.612 433 H GLU 54 H GLU 54 4.330 -6.900 2.999 434 HA GLU 54 HA GLU 54 6.215 -5.148 2.213 435 1HB GLU 54 1HB GLU 54 6.624 -4.867 4.774 436 2HB GLU 54 2HB GLU 54 5.013 -4.574 4.149 437 1HG GLU 54 1HG GLU 54 4.233 -6.120 5.613 438 2HG GLU 54 2HG GLU 54 5.055 -7.351 4.674 439 H ARG 55 H ARG 55 6.857 -7.894 4.523 440 HA ARG 55 HA ARG 55 8.800 -8.706 5.173 441 1HB ARG 55 1HB ARG 55 10.008 -9.658 2.889 442 2HB ARG 55 2HB ARG 55 8.634 -10.428 3.658 443 1HG ARG 55 1HG ARG 55 7.072 -9.178 2.193 444 2HG ARG 55 2HG ARG 55 8.410 -8.309 1.468 445 1HD ARG 55 1HD ARG 55 8.593 -11.307 1.412 446 2HD ARG 55 2HD ARG 55 7.360 -10.588 0.395 447 HE ARG 55 HE ARG 55 9.604 -9.053 -0.151 448 1HH1 ARG 55 1HH1 ARG 55 11.316 -11.108 -2.393 449 2HH1 ARG 55 2HH1 ARG 55 11.110 -9.489 -1.814 450 1HH2 ARG 55 1HH2 ARG 55 10.064 -12.835 -1.479 451 2HH2 ARG 55 2HH2 ARG 55 8.922 -12.505 -0.219 452 H LEU 56 H LEU 56 10.239 -7.970 1.988 453 HA LEU 56 HA LEU 56 11.713 -5.726 3.093 454 1HB LEU 56 1HB LEU 56 12.980 -7.770 3.698 455 2HB LEU 56 2HB LEU 56 13.102 -8.175 1.997 456 HG LEU 56 HG LEU 56 14.089 -5.582 2.091 457 1HD1 LEU 56 1HD1 LEU 56 14.898 -5.085 4.094 458 2HD1 LEU 56 2HD1 LEU 56 14.204 -6.591 4.744 459 3HD1 LEU 56 3HD1 LEU 56 15.863 -6.581 4.098 460 1HD2 LEU 56 1HD2 LEU 56 15.442 -6.754 0.768 461 2HD2 LEU 56 2HD2 LEU 56 16.333 -7.208 2.241 462 3HD2 LEU 56 3HD2 LEU 56 15.066 -8.281 1.601 463 H ILE 57 H ILE 57 9.657 -5.505 1.310 464 HA ILE 57 HA ILE 57 10.888 -5.503 -1.335 465 HB ILE 57 HB ILE 57 8.651 -6.546 -0.916 466 1HG1 ILE 57 1HG1 ILE 57 8.567 -4.263 -2.903 467 2HG1 ILE 57 2HG1 ILE 57 9.533 -5.706 -3.144 468 1HG2 ILE 57 1HG2 ILE 57 6.699 -5.040 -0.763 469 2HG2 ILE 57 2HG2 ILE 57 7.738 -4.976 0.682 470 3HG2 ILE 57 3HG2 ILE 57 7.802 -3.664 -0.520 471 1HD1 ILE 57 1HD1 ILE 57 7.621 -6.476 -4.161 472 2HD1 ILE 57 2HD1 ILE 57 7.144 -6.865 -2.491 473 3HD1 ILE 57 3HD1 ILE 57 6.570 -5.363 -3.253 474 H ALA 58 H ALA 58 9.496 -3.369 1.194 475 HA ALA 58 HA ALA 58 9.701 -1.193 1.544 476 1HB ALA 58 1HB ALA 58 11.739 -0.234 1.097 477 2HB ALA 58 2HB ALA 58 12.160 -1.922 0.722 478 3HB ALA 58 3HB ALA 58 11.756 -0.792 -0.593 479 H HIS 59 H HIS 59 9.579 1.066 0.314 480 HA HIS 59 HA HIS 59 8.509 2.367 -1.094 481 1HB HIS 59 1HB HIS 59 9.284 0.108 -2.815 482 2HB HIS 59 2HB HIS 59 7.899 1.004 -3.408 483 HD1 HIS 59 1HD HIS 59 10.178 1.299 -5.208 484 HD2 HIS 59 2HD HIS 59 9.841 3.698 -1.783 485 HE1 HIS 59 1HE HIS 59 11.629 3.355 -5.630 486 H ARG 60 H ARG 60 6.306 2.460 -2.488 487 HA ARG 60 HA ARG 60 4.409 0.512 -1.879 488 1HB ARG 60 1HB ARG 60 3.015 1.715 -0.256 489 2HB ARG 60 2HB ARG 60 4.626 1.541 0.410 490 1HG ARG 60 1HG ARG 60 3.665 4.036 -1.067 491 2HG ARG 60 2HG ARG 60 3.621 3.861 0.677 492 1HD ARG 60 1HD ARG 60 6.181 3.299 0.475 493 2HD ARG 60 2HD ARG 60 6.062 3.981 -1.135 494 HE ARG 60 HE ARG 60 4.874 5.931 0.395 495 1HH1 ARG 60 1HH1 ARG 60 7.602 7.505 1.898 496 2HH1 ARG 60 2HH1 ARG 60 5.941 7.665 1.431 497 1HH2 ARG 60 1HH2 ARG 60 8.742 5.529 1.472 498 2HH2 ARG 60 2HH2 ARG 60 7.933 4.214 0.687 499 H LEU 61 H LEU 61 2.104 1.364 -2.514 500 HA LEU 61 HA LEU 61 2.249 3.727 -4.208 501 1HB LEU 61 1HB LEU 61 1.779 0.923 -5.148 502 2HB LEU 61 2HB LEU 61 0.951 2.251 -5.939 503 HG LEU 61 HG LEU 61 3.935 2.353 -5.582 504 1HD1 LEU 61 1HD1 LEU 61 2.985 1.255 -8.150 505 2HD1 LEU 61 2HD1 LEU 61 4.420 0.850 -7.179 506 3HD1 LEU 61 3HD1 LEU 61 2.835 0.161 -6.756 507 1HD2 LEU 61 1HD2 LEU 61 2.790 3.308 -8.085 508 2HD2 LEU 61 2HD2 LEU 61 2.065 4.095 -6.663 509 3HD2 LEU 61 3HD2 LEU 61 3.827 4.141 -6.902 510 H ALA 62 H ALA 62 0.181 4.705 -4.584 511 HA ALA 62 HA ALA 62 -2.219 3.532 -3.744 512 1HB ALA 62 1HB ALA 62 -0.631 5.025 -1.694 513 2HB ALA 62 2HB ALA 62 -2.381 5.343 -1.762 514 3HB ALA 62 3HB ALA 62 -1.786 3.687 -1.492 515 H SER 63 H SER 63 -3.174 4.393 -5.564 516 HA SER 63 HA SER 63 -3.750 7.157 -5.460 517 1HB SER 63 1HB SER 63 -2.867 7.410 -7.951 518 2HB SER 63 2HB SER 63 -1.797 7.697 -6.594 519 HG SER 63 HG SER 63 -1.936 5.408 -8.328 520 H VAL 64 H VAL 64 -5.525 5.154 -5.217 521 HA VAL 64 HA VAL 64 -6.597 4.673 -7.904 522 HB VAL 64 HB VAL 64 -6.867 3.270 -5.255 523 1HG1 VAL 64 1HG1 VAL 64 -9.078 3.076 -5.795 524 2HG1 VAL 64 2HG1 VAL 64 -8.793 3.323 -7.535 525 3HG1 VAL 64 3HG1 VAL 64 -8.444 1.744 -6.791 526 1HG2 VAL 64 1HG2 VAL 64 -6.180 2.203 -8.012 527 2HG2 VAL 64 2HG2 VAL 64 -4.976 2.716 -6.805 528 3HG2 VAL 64 3HG2 VAL 64 -6.059 1.347 -6.456 529 H ASN 65 H ASN 65 -6.848 6.714 -5.188 530 HA ASN 65 HA ASN 65 -9.627 7.258 -5.884 531 1HB ASN 65 1HB ASN 65 -8.775 6.501 -3.407 532 2HB ASN 65 2HB ASN 65 -8.481 8.222 -3.266 533 1HD2 ASN 65 1HD2 ASN 65 -10.459 6.354 -2.036 534 2HD2 ASN 65 2HD2 ASN 65 -12.017 7.064 -2.293 535 H LEU 66 H LEU 66 -6.841 8.849 -4.137 536 HA LEU 66 HA LEU 66 -5.785 10.766 -4.470 537 1HB LEU 66 1HB LEU 66 -6.554 10.020 -7.070 538 2HB LEU 66 2HB LEU 66 -6.960 11.718 -6.926 539 HG LEU 66 HG LEU 66 -4.812 11.808 -7.750 540 1HD1 LEU 66 1HD1 LEU 66 -3.539 12.879 -6.157 541 2HD1 LEU 66 2HD1 LEU 66 -5.158 12.942 -5.419 542 3HD1 LEU 66 3HD1 LEU 66 -3.977 11.729 -4.870 543 1HD2 LEU 66 1HD2 LEU 66 -2.949 10.321 -6.708 544 2HD2 LEU 66 2HD2 LEU 66 -4.308 9.326 -6.133 545 3HD2 LEU 66 3HD2 LEU 66 -4.090 9.614 -7.876 546 H SER 67 H SER 67 -7.625 10.908 -2.637 547 HA SER 67 HA SER 67 -9.869 12.387 -3.060 548 1HB SER 67 1HB SER 67 -8.038 12.020 -0.679 549 2HB SER 67 2HB SER 67 -9.388 13.131 -0.562 550 HG SER 67 HG SER 67 -9.474 10.296 -1.117 551 H ARG 68 H ARG 68 -10.251 14.724 -2.159 552 HA ARG 68 HA ARG 68 -8.035 16.452 -2.203 553 1HB ARG 68 1HB ARG 68 -8.304 16.078 -4.668 554 2HB ARG 68 2HB ARG 68 -9.976 16.595 -4.566 555 1HG ARG 68 1HG ARG 68 -8.970 18.598 -5.209 556 2HG ARG 68 2HG ARG 68 -8.937 18.785 -3.466 557 1HD ARG 68 1HD ARG 68 -6.605 18.049 -3.355 558 2HD ARG 68 2HD ARG 68 -6.616 17.580 -5.044 559 HE ARG 68 HE ARG 68 -6.281 20.277 -3.996 560 1HH1 ARG 68 1HH1 ARG 68 -6.361 21.770 -7.150 561 2HH1 ARG 68 2HH1 ARG 68 -5.972 21.990 -5.477 562 1HH2 ARG 68 1HH2 ARG 68 -7.197 19.734 -7.888 563 2HH2 ARG 68 2HH2 ARG 68 -7.432 18.436 -6.766 564 H LEU 69 H LEU 69 -8.840 17.351 -0.274 565 HA LEU 69 HA LEU 69 -11.103 19.094 -0.568 566 1HB LEU 69 1HB LEU 69 -12.398 17.239 -0.024 567 2HB LEU 69 2HB LEU 69 -11.221 16.614 1.113 568 HG LEU 69 HG LEU 69 -12.072 19.179 2.054 569 1HD1 LEU 69 1HD1 LEU 69 -14.062 18.990 0.716 570 2HD1 LEU 69 2HD1 LEU 69 -14.345 17.329 1.290 571 3HD1 LEU 69 3HD1 LEU 69 -14.483 18.696 2.420 572 1HD2 LEU 69 1HD2 LEU 69 -12.812 16.473 3.178 573 2HD2 LEU 69 2HD2 LEU 69 -11.180 17.171 3.316 574 3HD2 LEU 69 3HD2 LEU 69 -12.572 18.009 4.045 575 HA PRO 70 HA PRO 70 -7.892 20.786 2.003 576 1HB PRO 70 1HB PRO 70 -8.047 23.341 1.046 577 2HB PRO 70 2HB PRO 70 -6.975 22.130 0.373 578 1HG PRO 70 1HG PRO 70 -9.513 23.175 -0.725 579 2HG PRO 70 2HG PRO 70 -8.235 22.306 -1.551 580 1HD PRO 70 1HD PRO 70 -10.763 21.246 -0.709 581 2HD PRO 70 2HD PRO 70 -9.440 20.352 -1.430 582 H TYR 71 H TYR 71 -7.915 21.790 3.987 583 HA TYR 71 HA TYR 71 -10.592 22.815 4.656 584 1HB TYR 71 1HB TYR 71 -10.036 21.918 6.926 585 2HB TYR 71 2HB TYR 71 -9.826 20.644 5.742 586 HD1 TYR 71 1HD TYR 71 -8.180 22.761 8.198 587 HD2 TYR 71 2HD TYR 71 -7.523 19.976 5.018 588 HE1 TYR 71 1HE TYR 71 -5.791 22.407 8.991 589 HE2 TYR 71 2HE TYR 71 -5.136 19.632 5.822 590 HH TYR 71 HH TYR 71 -3.951 21.310 8.722 591 H GLU 72 H GLU 72 -10.500 24.352 6.640 592 HA GLU 72 HA GLU 72 -8.073 25.952 6.486 593 1HB GLU 72 1HB GLU 72 -10.214 26.801 5.151 594 2HB GLU 72 2HB GLU 72 -10.760 27.310 6.736 595 1HG GLU 72 1HG GLU 72 -9.579 29.185 5.780 596 2HG GLU 72 2HG GLU 72 -8.546 28.531 7.036 597 HA PRO 73 HA PRO 73 -8.543 25.598 10.812 598 1HB PRO 73 1HB PRO 73 -6.339 27.028 11.565 599 2HB PRO 73 2HB PRO 73 -6.275 25.337 11.111 600 1HG PRO 73 1HG PRO 73 -5.414 27.704 9.563 601 2HG PRO 73 2HG PRO 73 -4.983 26.021 9.328 602 1HD PRO 73 1HD PRO 73 -6.859 27.545 7.782 603 2HD PRO 73 2HD PRO 73 -6.512 25.835 7.621 604 H LYS 74 H LYS 74 -10.389 26.540 11.499 605 HA LYS 74 HA LYS 74 -11.174 29.058 11.090 606 1HB LYS 74 1HB LYS 74 -12.554 27.421 12.207 607 2HB LYS 74 2HB LYS 74 -11.493 27.391 13.600 608 1HG LYS 74 1HG LYS 74 -12.742 29.052 14.507 609 2HG LYS 74 2HG LYS 74 -12.123 30.127 13.268 610 1HD LYS 74 1HD LYS 74 -14.055 30.013 11.997 611 2HD LYS 74 2HD LYS 74 -14.358 28.336 12.404 612 1HE LYS 74 2HE LYS 74 -15.893 29.008 13.931 613 2HE LYS 74 3HE LYS 74 -14.615 29.774 14.854 614 1HZ LYS 74 1HZ LYS 74 -16.634 31.054 13.639 615 2HZ LYS 74 2HZ LYS 74 -15.249 31.758 14.142 616 3HZ LYS 74 3HZ LYS 74 -15.410 31.295 12.585 617 H LEU 75 H LEU 75 -10.831 31.135 11.905 618 HA LEU 75 HA LEU 75 -9.552 31.871 14.160 619 1HB LEU 75 1HB LEU 75 -7.674 30.645 12.359 620 2HB LEU 75 2HB LEU 75 -7.269 32.337 12.570 621 HG LEU 75 HG LEU 75 -7.822 30.620 14.978 622 1HD1 LEU 75 1HD1 LEU 75 -5.926 29.855 13.127 623 2HD1 LEU 75 2HD1 LEU 75 -4.986 30.827 14.286 624 3HD1 LEU 75 3HD1 LEU 75 -5.936 29.434 14.856 625 1HD2 LEU 75 1HD2 LEU 75 -7.459 33.229 14.879 626 2HD2 LEU 75 2HD2 LEU 75 -6.753 32.248 16.185 627 3HD2 LEU 75 3HD2 LEU 75 -5.741 32.766 14.814 628 H LYS 76 H LYS 76 -10.763 33.712 14.120 629 HA LYS 76 HA LYS 76 -11.732 35.552 13.296 630 1HB LYS 76 1HB LYS 76 -9.632 36.382 14.170 631 2HB LYS 76 2HB LYS 76 -8.807 36.031 12.665 632 1HG LYS 76 1HG LYS 76 -9.348 38.114 11.954 633 2HG LYS 76 2HG LYS 76 -11.024 37.607 11.891 634 1HD LYS 76 1HD LYS 76 -11.483 38.434 14.093 635 2HD LYS 76 2HD LYS 76 -9.783 38.529 14.508 636 1HE LYS 76 2HE LYS 76 -10.205 40.154 12.157 637 2HE LYS 76 3HE LYS 76 -11.450 40.566 13.321 638 1HZ LYS 76 1HZ LYS 76 -9.942 41.384 14.736 639 2HZ LYS 76 2HZ LYS 76 -8.792 40.278 14.386 640 3HZ LYS 76 3HZ LYS 76 -9.020 41.558 13.398 Start of MODEL 14 1 H MET 1 H MET 1 17.821 -23.037 2.908 2 HA MET 1 HA MET 1 16.472 -24.139 5.133 3 1HB MET 1 1HB MET 1 19.142 -23.241 4.391 4 2HB MET 1 2HB MET 1 18.724 -22.497 5.922 5 1HG MET 1 1HG MET 1 19.572 -24.513 6.713 6 2HG MET 1 2HG MET 1 17.892 -24.977 6.528 7 1HE MET 1 1HE MET 1 17.819 -27.345 6.035 8 2HE MET 1 2HE MET 1 19.037 -28.253 5.107 9 3HE MET 1 3HE MET 1 19.502 -27.424 6.612 10 H LEU 2 H LEU 2 16.215 -22.905 7.259 11 HA LEU 2 HA LEU 2 15.997 -20.076 7.131 12 1HB LEU 2 1HB LEU 2 13.885 -21.288 5.961 13 2HB LEU 2 2HB LEU 2 13.335 -21.268 7.624 14 HG LEU 2 HG LEU 2 13.985 -18.735 7.551 15 1HD1 LEU 2 1HD1 LEU 2 15.141 -18.748 5.422 16 2HD1 LEU 2 2HD1 LEU 2 13.679 -19.346 4.599 17 3HD1 LEU 2 3HD1 LEU 2 13.691 -17.719 5.322 18 1HD2 LEU 2 1HD2 LEU 2 11.751 -18.165 7.008 19 2HD2 LEU 2 2HD2 LEU 2 11.551 -19.608 5.985 20 3HD2 LEU 2 3HD2 LEU 2 11.694 -19.781 7.751 21 H LYS 3 H LYS 3 16.153 -19.241 9.186 22 HA LYS 3 HA LYS 3 15.495 -21.017 11.400 23 1HB LYS 3 1HB LYS 3 17.623 -20.753 12.467 24 2HB LYS 3 2HB LYS 3 17.892 -21.388 10.856 25 1HG LYS 3 1HG LYS 3 17.957 -18.623 10.439 26 2HG LYS 3 2HG LYS 3 18.711 -18.789 12.013 27 1HD LYS 3 1HD LYS 3 20.125 -20.703 10.912 28 2HD LYS 3 2HD LYS 3 19.571 -20.050 9.383 29 1HE LYS 3 2HE LYS 3 20.381 -17.728 10.529 30 2HE LYS 3 3HE LYS 3 21.423 -18.824 11.414 31 1HZ LYS 3 1HZ LYS 3 22.108 -19.732 9.250 32 2HZ LYS 3 2HZ LYS 3 21.240 -18.574 8.494 33 3HZ LYS 3 3HZ LYS 3 22.506 -18.160 9.438 34 H ASN 4 H ASN 4 15.054 -19.880 13.387 35 HA ASN 4 HA ASN 4 13.803 -17.446 12.936 36 1HB ASN 4 1HB ASN 4 14.392 -19.221 15.266 37 2HB ASN 4 2HB ASN 4 14.176 -17.535 15.692 38 1HD2 ASN 4 1HD2 ASN 4 12.467 -19.591 16.481 39 2HD2 ASN 4 2HD2 ASN 4 10.902 -19.359 15.776 40 H LEU 5 H LEU 5 15.662 -16.202 11.942 41 HA LEU 5 HA LEU 5 16.862 -14.479 13.780 42 1HB LEU 5 1HB LEU 5 18.197 -16.690 14.045 43 2HB LEU 5 2HB LEU 5 18.921 -16.254 12.510 44 HG LEU 5 HG LEU 5 20.296 -15.587 14.438 45 1HD1 LEU 5 1HD1 LEU 5 19.373 -13.004 13.236 46 2HD1 LEU 5 2HD1 LEU 5 21.022 -13.614 13.518 47 3HD1 LEU 5 3HD1 LEU 5 20.049 -14.266 12.179 48 1HD2 LEU 5 1HD2 LEU 5 19.480 -14.608 16.255 49 2HD2 LEU 5 2HD2 LEU 5 18.782 -13.281 15.296 50 3HD2 LEU 5 3HD2 LEU 5 17.853 -14.777 15.555 51 H ALA 6 H ALA 6 16.766 -12.622 12.652 52 HA ALA 6 HA ALA 6 18.135 -12.020 10.416 53 1HB ALA 6 1HB ALA 6 17.193 -13.390 8.852 54 2HB ALA 6 2HB ALA 6 15.689 -13.594 9.782 55 3HB ALA 6 3HB ALA 6 15.942 -12.124 8.812 56 H LYS 7 H LYS 7 18.255 -9.983 11.319 57 HA LYS 7 HA LYS 7 15.909 -8.685 12.293 58 1HB LYS 7 1HB LYS 7 18.781 -8.314 12.393 59 2HB LYS 7 2HB LYS 7 17.984 -6.805 11.994 60 1HG LYS 7 1HG LYS 7 16.863 -6.688 14.026 61 2HG LYS 7 2HG LYS 7 16.715 -8.428 14.173 62 1HD LYS 7 1HD LYS 7 18.981 -8.673 14.934 63 2HD LYS 7 2HD LYS 7 19.425 -7.065 14.397 64 1HE LYS 7 2HE LYS 7 17.182 -7.146 16.366 65 2HE LYS 7 3HE LYS 7 18.722 -7.703 16.988 66 1HZ LYS 7 1HZ LYS 7 18.887 -5.481 17.300 67 2HZ LYS 7 2HZ LYS 7 19.558 -5.567 15.814 68 3HZ LYS 7 3HZ LYS 7 18.010 -5.078 15.983 69 H LEU 8 H LEU 8 17.634 -8.930 9.227 70 HA LEU 8 HA LEU 8 16.744 -6.549 8.072 71 1HB LEU 8 1HB LEU 8 18.393 -8.622 7.378 72 2HB LEU 8 2HB LEU 8 17.039 -8.866 6.291 73 HG LEU 8 HG LEU 8 17.713 -6.082 6.259 74 1HD1 LEU 8 1HD1 LEU 8 20.063 -6.692 5.102 75 2HD1 LEU 8 2HD1 LEU 8 19.904 -6.197 6.806 76 3HD1 LEU 8 3HD1 LEU 8 20.037 -7.923 6.388 77 1HD2 LEU 8 1HD2 LEU 8 17.778 -6.374 3.937 78 2HD2 LEU 8 2HD2 LEU 8 18.276 -8.077 4.069 79 3HD2 LEU 8 3HD2 LEU 8 16.619 -7.598 4.507 80 H ASP 9 H ASP 9 14.532 -6.834 9.328 81 HA ASP 9 HA ASP 9 12.655 -7.397 7.283 82 1HB ASP 9 1HB ASP 9 11.299 -8.991 8.709 83 2HB ASP 9 2HB ASP 9 12.802 -9.665 8.109 84 H GLN 10 H GLN 10 13.467 -5.051 8.724 85 HA GLN 10 HA GLN 10 11.533 -4.705 10.826 86 1HB GLN 10 1HB GLN 10 12.660 -2.558 11.221 87 2HB GLN 10 2HB GLN 10 13.842 -3.848 11.119 88 1HG GLN 10 1HG GLN 10 13.257 -2.647 8.483 89 2HG GLN 10 2HG GLN 10 13.865 -1.471 9.631 90 1HE2 GLN 10 1HE2 GLN 10 15.710 -1.352 8.249 91 2HE2 GLN 10 2HE2 GLN 10 17.000 -2.501 8.376 92 H THR 11 H THR 11 11.289 -4.763 7.573 93 HA THR 11 HA THR 11 10.246 -2.325 6.782 94 HB THR 11 HB THR 11 9.352 -5.115 5.894 95 HG1 THR 11 1HG THR 11 11.436 -5.244 5.140 96 1HG2 THR 11 1HG2 THR 11 9.640 -3.789 3.617 97 2HG2 THR 11 2HG2 THR 11 8.150 -3.556 4.563 98 3HG2 THR 11 3HG2 THR 11 9.454 -2.346 4.643 99 H GLU 12 H GLU 12 8.926 -4.710 8.980 100 HA GLU 12 HA GLU 12 6.244 -3.927 8.612 101 1HB GLU 12 1HB GLU 12 7.220 -6.118 9.642 102 2HB GLU 12 2HB GLU 12 7.364 -5.203 11.129 103 1HG GLU 12 1HG GLU 12 4.865 -4.579 10.814 104 2HG GLU 12 2HG GLU 12 4.820 -5.809 9.566 105 H MET 13 H MET 13 8.997 -2.694 10.434 106 HA MET 13 HA MET 13 7.617 -1.366 12.432 107 1HB MET 13 1HB MET 13 10.244 -1.778 11.798 108 2HB MET 13 2HB MET 13 10.093 -0.133 11.210 109 1HG MET 13 1HG MET 13 9.178 0.552 13.466 110 2HG MET 13 2HG MET 13 9.433 -1.084 14.041 111 1HE MET 13 1HE MET 13 11.927 2.388 13.924 112 2HE MET 13 2HE MET 13 12.225 1.818 12.264 113 3HE MET 13 3HE MET 13 10.557 2.066 12.834 114 H ASP 14 H ASP 14 8.462 -0.433 9.061 115 HA ASP 14 HA ASP 14 7.603 2.228 9.403 116 1HB ASP 14 1HB ASP 14 9.214 1.259 7.624 117 2HB ASP 14 2HB ASP 14 7.791 0.669 6.789 118 H LYS 15 H LYS 15 6.138 -0.899 8.604 119 HA LYS 15 HA LYS 15 3.779 0.239 7.428 120 1HB LYS 15 1HB LYS 15 4.909 -2.456 7.889 121 2HB LYS 15 2HB LYS 15 3.160 -2.365 7.962 122 1HG LYS 15 1HG LYS 15 3.967 -2.814 5.644 123 2HG LYS 15 2HG LYS 15 3.064 -1.315 5.741 124 1HD LYS 15 1HD LYS 15 6.044 -1.159 6.150 125 2HD LYS 15 2HD LYS 15 5.472 -1.470 4.523 126 1HE LYS 15 2HE LYS 15 3.801 0.611 5.475 127 2HE LYS 15 3HE LYS 15 5.398 1.025 6.064 128 1HZ LYS 15 1HZ LYS 15 4.558 1.544 3.619 129 2HZ LYS 15 2HZ LYS 15 6.136 1.358 3.999 130 3HZ LYS 15 3HZ LYS 15 5.301 0.117 3.343 131 H VAL 16 H VAL 16 4.753 -1.245 10.575 132 HA VAL 16 HA VAL 16 2.303 -1.301 11.790 133 HB VAL 16 HB VAL 16 4.998 -1.626 12.476 134 1HG1 VAL 16 1HG1 VAL 16 5.127 0.618 13.370 135 2HG1 VAL 16 2HG1 VAL 16 3.637 0.372 14.312 136 3HG1 VAL 16 3HG1 VAL 16 5.109 -0.543 14.720 137 1HG2 VAL 16 1HG2 VAL 16 4.156 -2.927 14.266 138 2HG2 VAL 16 2HG2 VAL 16 2.666 -1.960 14.375 139 3HG2 VAL 16 3HG2 VAL 16 2.928 -3.035 12.982 140 H ASN 17 H ASN 17 4.209 1.453 10.766 141 HA ASN 17 HA ASN 17 2.888 3.234 12.564 142 1HB ASN 17 1HB ASN 17 5.300 3.357 11.317 143 2HB ASN 17 2HB ASN 17 4.358 4.217 10.115 144 1HD2 ASN 17 1HD2 ASN 17 4.251 4.040 13.672 145 2HD2 ASN 17 2HD2 ASN 17 4.377 5.740 13.981 146 H VAL 18 H VAL 18 3.303 3.272 8.939 147 HA VAL 18 HA VAL 18 1.239 4.892 8.299 148 HB VAL 18 HB VAL 18 2.362 2.477 6.883 149 1HG1 VAL 18 1HG1 VAL 18 0.480 4.588 5.778 150 2HG1 VAL 18 2HG1 VAL 18 1.342 3.368 4.813 151 3HG1 VAL 18 3HG1 VAL 18 0.121 2.859 6.004 152 1HG2 VAL 18 1HG2 VAL 18 2.873 5.111 5.738 153 2HG2 VAL 18 2HG2 VAL 18 3.443 4.989 7.420 154 3HG2 VAL 18 3HG2 VAL 18 4.014 3.825 6.201 155 H ASP 19 H ASP 19 1.099 1.586 9.523 156 HA ASP 19 HA ASP 19 -1.163 0.580 8.653 157 1HB ASP 19 1HB ASP 19 0.403 -0.071 10.684 158 2HB ASP 19 2HB ASP 19 -0.772 0.791 11.656 159 H LEU 20 H LEU 20 -1.003 2.814 11.543 160 HA LEU 20 HA LEU 20 -3.804 3.221 11.570 161 1HB LEU 20 1HB LEU 20 -3.367 4.756 13.342 162 2HB LEU 20 2HB LEU 20 -2.383 3.323 13.558 163 HG LEU 20 HG LEU 20 -0.588 4.849 12.264 164 1HD1 LEU 20 1HD1 LEU 20 -2.469 6.796 13.607 165 2HD1 LEU 20 2HD1 LEU 20 -0.766 7.175 13.253 166 3HD1 LEU 20 3HD1 LEU 20 -1.888 6.794 11.925 167 1HD2 LEU 20 1HD2 LEU 20 0.056 5.650 14.685 168 2HD2 LEU 20 2HD2 LEU 20 -1.254 4.546 15.168 169 3HD2 LEU 20 3HD2 LEU 20 0.133 3.928 14.238 170 H ALA 21 H ALA 21 -0.971 5.070 10.319 171 HA ALA 21 HA ALA 21 -1.945 7.437 9.678 172 1HB ALA 21 1HB ALA 21 -0.513 5.638 7.683 173 2HB ALA 21 2HB ALA 21 -0.484 7.416 7.735 174 3HB ALA 21 3HB ALA 21 0.282 6.475 9.037 175 H ALA 22 H ALA 22 -2.211 4.837 7.160 176 HA ALA 22 HA ALA 22 -4.805 6.021 6.447 177 1HB ALA 22 1HB ALA 22 -3.238 4.250 4.595 178 2HB ALA 22 2HB ALA 22 -4.303 5.627 4.223 179 3HB ALA 22 3HB ALA 22 -2.667 5.914 4.861 180 H ALA 23 H ALA 23 -6.354 4.347 5.428 181 HA ALA 23 HA ALA 23 -6.327 2.012 7.187 182 1HB ALA 23 1HB ALA 23 -8.452 2.700 7.483 183 2HB ALA 23 2HB ALA 23 -8.343 3.844 6.123 184 3HB ALA 23 3HB ALA 23 -8.772 2.143 5.824 185 H GLY 24 H GLY 24 -8.002 2.332 4.036 186 1HA GLY 24 1HA GLY 24 -6.276 1.102 2.318 187 2HA GLY 24 2HA GLY 24 -6.999 -0.227 3.201 188 H VAL 25 H VAL 25 -8.472 2.952 2.279 189 HA VAL 25 HA VAL 25 -10.398 1.424 0.666 190 HB VAL 25 HB VAL 25 -11.278 4.010 1.721 191 1HG1 VAL 25 1HG1 VAL 25 -13.282 3.046 1.463 192 2HG1 VAL 25 2HG1 VAL 25 -12.421 1.683 0.710 193 3HG1 VAL 25 3HG1 VAL 25 -12.818 1.637 2.445 194 1HG2 VAL 25 1HG2 VAL 25 -11.594 3.319 4.022 195 2HG2 VAL 25 2HG2 VAL 25 -10.833 1.746 3.693 196 3HG2 VAL 25 3HG2 VAL 25 -9.863 3.236 3.617 197 H ALA 26 H ALA 26 -8.400 4.369 1.080 198 HA ALA 26 HA ALA 26 -9.130 5.973 -0.907 199 1HB ALA 26 1HB ALA 26 -6.526 5.141 0.268 200 2HB ALA 26 2HB ALA 26 -6.433 6.004 -1.285 201 3HB ALA 26 3HB ALA 26 -7.244 6.761 0.106 202 H PHE 27 H PHE 27 -7.107 2.989 -1.354 203 HA PHE 27 HA PHE 27 -8.074 2.950 -4.119 204 1HB PHE 27 1HB PHE 27 -5.675 1.988 -4.558 205 2HB PHE 27 2HB PHE 27 -5.778 3.710 -4.257 206 HD1 PHE 27 1HD PHE 27 -5.235 4.569 -1.940 207 HD2 PHE 27 2HD PHE 27 -4.413 0.584 -3.144 208 HE1 PHE 27 1HE PHE 27 -3.601 4.335 -0.050 209 HE2 PHE 27 2HE PHE 27 -2.778 0.350 -1.253 210 HZ PHE 27 HZ PHE 27 -2.391 2.228 0.271 211 H LYS 28 H LYS 28 -9.585 1.516 -2.542 212 HA LYS 28 HA LYS 28 -8.631 -1.206 -2.962 213 1HB LYS 28 1HB LYS 28 -8.211 -0.352 -0.546 214 2HB LYS 28 2HB LYS 28 -9.947 -0.470 -0.351 215 1HG LYS 28 1HG LYS 28 -9.021 -2.580 0.377 216 2HG LYS 28 2HG LYS 28 -9.816 -2.879 -1.156 217 1HD LYS 28 1HD LYS 28 -7.040 -2.064 -1.595 218 2HD LYS 28 2HD LYS 28 -7.105 -3.423 -0.490 219 1HE LYS 28 2HE LYS 28 -7.844 -4.876 -2.110 220 2HE LYS 28 3HE LYS 28 -8.937 -3.700 -2.812 221 1HZ LYS 28 1HZ LYS 28 -7.257 -4.056 -4.364 222 2HZ LYS 28 2HZ LYS 28 -6.889 -2.608 -3.704 223 3HZ LYS 28 3HZ LYS 28 -6.053 -3.940 -3.266 224 H GLU 29 H GLU 29 -10.513 0.751 -4.289 225 HA GLU 29 HA GLU 29 -13.046 -0.514 -3.687 226 1HB GLU 29 1HB GLU 29 -13.611 1.316 -5.651 227 2HB GLU 29 2HB GLU 29 -13.646 1.669 -3.935 228 1HG GLU 29 1HG GLU 29 -12.294 3.369 -5.059 229 2HG GLU 29 2HG GLU 29 -11.248 2.397 -4.042 230 H ARG 30 H ARG 30 -10.398 -1.252 -5.502 231 HA ARG 30 HA ARG 30 -11.348 -1.615 -8.044 232 1HB ARG 30 1HB ARG 30 -9.511 -3.320 -8.247 233 2HB ARG 30 2HB ARG 30 -8.966 -1.844 -7.478 234 1HG ARG 30 1HG ARG 30 -8.552 -2.886 -5.481 235 2HG ARG 30 2HG ARG 30 -10.039 -3.811 -5.545 236 1HD ARG 30 1HD ARG 30 -8.340 -4.823 -7.631 237 2HD ARG 30 2HD ARG 30 -7.347 -4.673 -6.196 238 HE ARG 30 HE ARG 30 -9.849 -5.858 -5.456 239 1HH1 ARG 30 1HH1 ARG 30 -8.788 -9.175 -5.696 240 2HH1 ARG 30 2HH1 ARG 30 -9.996 -8.105 -5.064 241 1HH2 ARG 30 1HH2 ARG 30 -7.022 -8.326 -6.938 242 2HH2 ARG 30 2HH2 ARG 30 -6.911 -6.623 -7.234 243 H TYR 31 H TYR 31 -11.967 -3.383 -5.055 244 HA TYR 31 HA TYR 31 -13.136 -5.618 -6.536 245 1HB TYR 31 1HB TYR 31 -12.844 -6.754 -4.439 246 2HB TYR 31 2HB TYR 31 -11.488 -5.644 -4.435 247 HD1 TYR 31 1HD TYR 31 -11.425 -3.734 -2.919 248 HD2 TYR 31 2HD TYR 31 -14.792 -6.375 -2.982 249 HE1 TYR 31 1HE TYR 31 -12.240 -2.761 -0.715 250 HE2 TYR 31 2HE TYR 31 -15.594 -5.393 -0.779 251 HH TYR 31 HH TYR 31 -15.377 -3.544 0.550 252 H ASN 32 H ASN 32 -14.265 -2.750 -6.276 253 HA ASN 32 HA ASN 32 -16.232 -1.852 -6.111 254 1HB ASN 32 1HB ASN 32 -17.220 -3.784 -7.227 255 2HB ASN 32 2HB ASN 32 -17.138 -4.752 -5.769 256 1HD2 ASN 32 1HD2 ASN 32 -18.425 -1.632 -6.909 257 2HD2 ASN 32 2HD2 ASN 32 -19.955 -1.717 -6.101 258 H MET 33 H MET 33 -14.935 -1.291 -3.922 259 HA MET 33 HA MET 33 -16.000 -2.511 -1.587 260 1HB MET 33 1HB MET 33 -14.449 -1.044 -0.425 261 2HB MET 33 2HB MET 33 -13.637 -1.518 -1.903 262 1HG MET 33 1HG MET 33 -13.313 0.734 -2.191 263 2HG MET 33 2HG MET 33 -14.963 0.729 -2.779 264 1HE MET 33 1HE MET 33 -15.435 2.927 -2.405 265 2HE MET 33 2HE MET 33 -15.736 3.748 -0.855 266 3HE MET 33 3HE MET 33 -14.077 3.621 -1.488 267 HA PRO 34 HA PRO 34 -19.364 0.225 -1.158 268 1HB PRO 34 1HB PRO 34 -20.184 -0.497 1.348 269 2HB PRO 34 2HB PRO 34 -20.625 -1.384 -0.098 270 1HG PRO 34 1HG PRO 34 -18.652 -2.098 1.985 271 2HG PRO 34 2HG PRO 34 -19.408 -3.132 0.790 272 1HD PRO 34 1HD PRO 34 -16.734 -2.096 0.719 273 2HD PRO 34 2HD PRO 34 -17.529 -3.033 -0.532 274 H VAL 35 H VAL 35 -20.338 1.900 0.404 275 HA VAL 35 HA VAL 35 -18.201 3.683 0.944 276 HB VAL 35 HB VAL 35 -21.126 3.797 1.704 277 1HG1 VAL 35 1HG1 VAL 35 -19.042 5.439 2.550 278 2HG1 VAL 35 2HG1 VAL 35 -19.774 6.333 1.196 279 3HG1 VAL 35 3HG1 VAL 35 -20.779 5.828 2.576 280 1HG2 VAL 35 1HG2 VAL 35 -20.708 3.500 -0.739 281 2HG2 VAL 35 2HG2 VAL 35 -21.479 5.051 -0.331 282 3HG2 VAL 35 3HG2 VAL 35 -19.742 4.994 -0.717 283 H ILE 36 H ILE 36 -17.332 1.565 2.299 284 HA ILE 36 HA ILE 36 -17.646 2.433 5.052 285 HB ILE 36 HB ILE 36 -18.347 -0.304 4.035 286 1HG1 ILE 36 1HG1 ILE 36 -19.722 1.467 6.070 287 2HG1 ILE 36 2HG1 ILE 36 -20.094 1.489 4.359 288 1HG2 ILE 36 1HG2 ILE 36 -16.567 -0.419 5.839 289 2HG2 ILE 36 2HG2 ILE 36 -17.766 0.307 6.936 290 3HG2 ILE 36 3HG2 ILE 36 -18.095 -1.269 6.176 291 1HD1 ILE 36 1HD1 ILE 36 -20.754 -0.556 6.413 292 2HD1 ILE 36 2HD1 ILE 36 -21.613 -0.132 4.912 293 3HD1 ILE 36 3HD1 ILE 36 -20.202 -1.216 4.854 294 H ALA 37 H ALA 37 -15.870 1.581 6.443 295 HA ALA 37 HA ALA 37 -13.463 1.323 4.814 296 1HB ALA 37 1HB ALA 37 -13.739 1.828 7.802 297 2HB ALA 37 2HB ALA 37 -12.298 2.075 6.787 298 3HB ALA 37 3HB ALA 37 -13.725 3.121 6.579 299 H GLU 38 H GLU 38 -15.394 -0.300 7.374 300 HA GLU 38 HA GLU 38 -13.556 -2.287 7.929 301 1HB GLU 38 1HB GLU 38 -15.688 -1.656 9.210 302 2HB GLU 38 2HB GLU 38 -16.584 -2.589 8.028 303 1HG GLU 38 1HG GLU 38 -15.335 -4.630 8.607 304 2HG GLU 38 2HG GLU 38 -14.274 -3.726 9.671 305 H ALA 39 H ALA 39 -16.292 -2.157 5.560 306 HA ALA 39 HA ALA 39 -16.103 -4.749 4.628 307 1HB ALA 39 1HB ALA 39 -16.707 -2.711 2.584 308 2HB ALA 39 2HB ALA 39 -17.721 -4.030 3.218 309 3HB ALA 39 3HB ALA 39 -17.611 -2.489 4.102 310 H VAL 40 H VAL 40 -13.965 -1.987 4.206 311 HA VAL 40 HA VAL 40 -12.724 -2.986 1.838 312 HB VAL 40 HB VAL 40 -12.624 -0.652 3.551 313 1HG1 VAL 40 1HG1 VAL 40 -9.964 -1.699 2.521 314 2HG1 VAL 40 2HG1 VAL 40 -10.254 -0.080 3.200 315 3HG1 VAL 40 3HG1 VAL 40 -10.437 -1.522 4.227 316 1HG2 VAL 40 1HG2 VAL 40 -12.375 -1.388 0.702 317 2HG2 VAL 40 2HG2 VAL 40 -13.197 -0.007 1.467 318 3HG2 VAL 40 3HG2 VAL 40 -11.439 0.047 1.188 319 H GLU 41 H GLU 41 -12.317 -3.337 5.357 320 HA GLU 41 HA GLU 41 -9.782 -4.635 4.974 321 1HB GLU 41 1HB GLU 41 -11.293 -3.474 7.225 322 2HB GLU 41 2HB GLU 41 -10.533 -4.996 7.646 323 1HG GLU 41 1HG GLU 41 -8.344 -4.195 7.132 324 2HG GLU 41 2HG GLU 41 -8.954 -2.866 6.166 325 H ARG 42 H ARG 42 -13.203 -5.407 5.682 326 HA ARG 42 HA ARG 42 -12.790 -8.020 6.479 327 1HB ARG 42 1HB ARG 42 -15.130 -8.205 6.406 328 2HB ARG 42 2HB ARG 42 -14.947 -6.464 6.477 329 1HG ARG 42 1HG ARG 42 -15.064 -6.385 3.953 330 2HG ARG 42 2HG ARG 42 -15.346 -8.114 3.937 331 1HD ARG 42 1HD ARG 42 -17.152 -6.575 5.752 332 2HD ARG 42 2HD ARG 42 -17.346 -6.215 4.047 333 HE ARG 42 HE ARG 42 -17.235 -9.024 4.219 334 1HH1 ARG 42 1HH1 ARG 42 -20.606 -9.668 4.850 335 2HH1 ARG 42 2HH1 ARG 42 -19.106 -10.334 4.296 336 1HH2 ARG 42 1HH2 ARG 42 -20.716 -7.447 5.514 337 2HH2 ARG 42 2HH2 ARG 42 -19.297 -6.455 5.456 338 H GLU 43 H GLU 43 -12.863 -6.450 3.298 339 HA GLU 43 HA GLU 43 -13.110 -8.974 1.947 340 1HB GLU 43 1HB GLU 43 -12.760 -6.121 0.931 341 2HB GLU 43 2HB GLU 43 -12.900 -7.513 -0.125 342 1HG GLU 43 1HG GLU 43 -15.028 -7.536 1.887 343 2HG GLU 43 2HG GLU 43 -15.020 -6.012 1.021 344 H GLN 44 H GLN 44 -10.832 -6.254 1.229 345 HA GLN 44 HA GLN 44 -8.584 -7.842 1.917 346 1HB GLN 44 1HB GLN 44 -9.599 -8.284 -0.648 347 2HB GLN 44 2HB GLN 44 -8.334 -7.106 -0.932 348 1HG GLN 44 1HG GLN 44 -7.354 -9.073 0.960 349 2HG GLN 44 2HG GLN 44 -8.048 -9.917 -0.411 350 1HE2 GLN 44 1HE2 GLN 44 -5.247 -9.252 0.640 351 2HE2 GLN 44 2HE2 GLN 44 -4.369 -8.707 -0.751 352 HA PRO 45 HA PRO 45 -7.789 -3.466 2.212 353 1HB PRO 45 1HB PRO 45 -6.267 -3.581 4.479 354 2HB PRO 45 2HB PRO 45 -8.006 -3.370 4.502 355 1HG PRO 45 1HG PRO 45 -6.424 -5.786 5.134 356 2HG PRO 45 2HG PRO 45 -8.087 -5.424 5.549 357 1HD PRO 45 1HD PRO 45 -7.181 -7.187 3.477 358 2HD PRO 45 2HD PRO 45 -8.840 -6.735 3.817 359 H GLU 46 H GLU 46 -6.316 -2.310 1.122 360 HA GLU 46 HA GLU 46 -4.232 -3.717 -0.035 361 1HB GLU 46 1HB GLU 46 -3.453 -1.467 -0.803 362 2HB GLU 46 2HB GLU 46 -5.166 -1.719 -1.075 363 1HG GLU 46 1HG GLU 46 -5.174 0.419 -0.120 364 2HG GLU 46 2HG GLU 46 -5.463 -0.580 1.291 365 H HIS 47 H HIS 47 -4.416 -1.624 2.881 366 HA HIS 47 HA HIS 47 -1.686 -1.395 3.320 367 1HB HIS 47 1HB HIS 47 -2.249 -0.494 5.378 368 2HB HIS 47 2HB HIS 47 -3.668 -0.163 4.402 369 HD1 HIS 47 1HD HIS 47 -5.863 -1.489 4.956 370 HD2 HIS 47 2HD HIS 47 -2.634 -2.315 7.504 371 HE1 HIS 47 1HE HIS 47 -6.834 -2.739 6.958 372 H LEU 48 H LEU 48 -3.736 -4.157 3.395 373 HA LEU 48 HA LEU 48 -2.119 -5.551 5.352 374 1HB LEU 48 1HB LEU 48 -4.737 -5.881 4.088 375 2HB LEU 48 2HB LEU 48 -3.833 -7.378 4.197 376 HG LEU 48 HG LEU 48 -5.255 -7.168 6.122 377 1HD1 LEU 48 1HD1 LEU 48 -3.058 -6.649 7.799 378 2HD1 LEU 48 2HD1 LEU 48 -3.641 -8.226 7.214 379 3HD1 LEU 48 3HD1 LEU 48 -2.384 -7.350 6.307 380 1HD2 LEU 48 1HD2 LEU 48 -4.718 -4.419 5.920 381 2HD2 LEU 48 2HD2 LEU 48 -5.764 -5.243 7.100 382 3HD2 LEU 48 3HD2 LEU 48 -4.056 -4.928 7.491 383 H ARG 49 H ARG 49 -2.871 -5.654 1.814 384 HA ARG 49 HA ARG 49 -1.384 -7.814 1.171 385 1HB ARG 49 1HB ARG 49 -1.585 -7.083 -1.056 386 2HB ARG 49 2HB ARG 49 -2.859 -6.160 -0.285 387 1HG ARG 49 1HG ARG 49 -1.031 -4.316 0.073 388 2HG ARG 49 2HG ARG 49 -0.094 -5.206 -1.109 389 1HD ARG 49 1HD ARG 49 -2.831 -3.924 -1.511 390 2HD ARG 49 2HD ARG 49 -1.333 -3.499 -2.312 391 HE ARG 49 HE ARG 49 -2.085 -6.290 -2.746 392 1HH1 ARG 49 1HH1 ARG 49 -3.114 -5.715 -6.030 393 2HH1 ARG 49 2HH1 ARG 49 -2.708 -6.919 -4.853 394 1HH2 ARG 49 1HH2 ARG 49 -3.028 -3.465 -5.468 395 2HH2 ARG 49 2HH2 ARG 49 -2.555 -2.989 -3.870 396 H SER 50 H SER 50 -0.340 -4.449 1.839 397 HA SER 50 HA SER 50 2.336 -5.008 1.005 398 1HB SER 50 1HB SER 50 0.824 -2.625 2.038 399 2HB SER 50 2HB SER 50 2.562 -2.625 2.265 400 HG SER 50 HG SER 50 1.834 -1.640 0.224 401 H TRP 51 H TRP 51 0.402 -4.832 4.004 402 HA TRP 51 HA TRP 51 2.652 -4.861 5.750 403 1HB TRP 51 1HB TRP 51 -0.306 -5.039 6.004 404 2HB TRP 51 2HB TRP 51 0.653 -5.700 7.314 405 HD1 TRP 51 HD TRP 51 0.874 -3.900 9.184 406 HE1 TRP 51 1HE TRP 51 1.213 -1.293 9.404 407 HE3 TRP 51 3HE TRP 51 0.870 -2.952 4.188 408 HZ2 TRP 51 2HZ TRP 51 1.436 0.827 7.506 409 HZ3 TRP 51 3HZ TRP 51 1.154 -0.586 3.456 410 HH2 TRP 51 HH TRP 51 1.430 1.270 5.023 411 H PHE 52 H PHE 52 1.262 -7.115 3.601 412 HA PHE 52 HA PHE 52 2.055 -9.380 5.273 413 1HB PHE 52 1HB PHE 52 0.108 -8.769 3.072 414 2HB PHE 52 2HB PHE 52 0.908 -10.317 2.890 415 HD1 PHE 52 1HD PHE 52 -0.946 -11.735 3.272 416 HD2 PHE 52 2HD PHE 52 0.033 -8.750 6.124 417 HE1 PHE 52 1HE PHE 52 -2.561 -12.759 4.896 418 HE2 PHE 52 2HE PHE 52 -1.583 -9.775 7.750 419 HZ PHE 52 HZ PHE 52 -2.860 -11.766 7.117 420 H ARG 53 H ARG 53 2.605 -7.739 2.124 421 HA ARG 53 HA ARG 53 4.636 -9.707 1.533 422 1HB ARG 53 1HB ARG 53 2.786 -8.329 -0.067 423 2HB ARG 53 2HB ARG 53 4.286 -7.484 -0.396 424 1HG ARG 53 1HG ARG 53 5.255 -9.307 -1.436 425 2HG ARG 53 2HG ARG 53 4.501 -10.464 -0.357 426 1HD ARG 53 1HD ARG 53 3.319 -10.908 -2.323 427 2HD ARG 53 2HD ARG 53 2.256 -9.724 -1.589 428 HE ARG 53 HE ARG 53 4.101 -8.231 -3.098 429 1HH1 ARG 53 1HH1 ARG 53 2.509 -8.343 -6.202 430 2HH1 ARG 53 2HH1 ARG 53 3.677 -7.515 -5.226 431 1HH2 ARG 53 1HH2 ARG 53 1.377 -10.180 -5.348 432 2HH2 ARG 53 2HH2 ARG 53 1.699 -10.723 -3.734 433 H GLU 54 H GLU 54 4.419 -6.963 3.353 434 HA GLU 54 HA GLU 54 6.104 -5.099 2.605 435 1HB GLU 54 1HB GLU 54 6.416 -4.576 4.873 436 2HB GLU 54 2HB GLU 54 4.954 -5.540 4.909 437 1HG GLU 54 1HG GLU 54 6.697 -7.564 5.203 438 2HG GLU 54 2HG GLU 54 7.745 -6.286 5.789 439 H ARG 55 H ARG 55 6.996 -8.448 3.422 440 HA ARG 55 HA ARG 55 9.597 -8.286 3.932 441 1HB ARG 55 1HB ARG 55 8.072 -10.369 3.578 442 2HB ARG 55 2HB ARG 55 8.521 -10.278 1.886 443 1HG ARG 55 1HG ARG 55 10.908 -10.522 2.451 444 2HG ARG 55 2HG ARG 55 10.546 -10.451 4.165 445 1HD ARG 55 1HD ARG 55 10.399 -12.723 4.103 446 2HD ARG 55 2HD ARG 55 8.870 -12.509 3.276 447 HE ARG 55 HE ARG 55 10.817 -12.287 1.267 448 1HH1 ARG 55 1HH1 ARG 55 11.279 -15.667 0.529 449 2HH1 ARG 55 2HH1 ARG 55 11.475 -14.041 -0.040 450 1HH2 ARG 55 1HH2 ARG 55 10.350 -16.060 2.618 451 2HH2 ARG 55 2HH2 ARG 55 9.851 -14.729 3.609 452 H LEU 56 H LEU 56 8.102 -8.339 0.617 453 HA LEU 56 HA LEU 56 10.087 -6.584 -0.390 454 1HB LEU 56 1HB LEU 56 10.835 -9.270 -0.331 455 2HB LEU 56 2HB LEU 56 10.309 -9.001 -1.981 456 HG LEU 56 HG LEU 56 12.151 -6.970 -0.818 457 1HD1 LEU 56 1HD1 LEU 56 14.125 -8.264 -1.056 458 2HD1 LEU 56 2HD1 LEU 56 13.013 -9.209 -0.037 459 3HD1 LEU 56 3HD1 LEU 56 13.230 -9.636 -1.751 460 1HD2 LEU 56 1HD2 LEU 56 12.699 -6.543 -2.978 461 2HD2 LEU 56 2HD2 LEU 56 12.564 -8.247 -3.472 462 3HD2 LEU 56 3HD2 LEU 56 11.096 -7.265 -3.257 463 H ILE 57 H ILE 57 8.002 -5.506 -0.718 464 HA ILE 57 HA ILE 57 6.345 -6.752 -2.773 465 HB ILE 57 HB ILE 57 5.405 -5.857 -0.608 466 1HG1 ILE 57 1HG1 ILE 57 4.213 -4.570 -3.069 467 2HG1 ILE 57 2HG1 ILE 57 4.165 -6.301 -2.804 468 1HG2 ILE 57 1HG2 ILE 57 6.741 -3.819 -0.446 469 2HG2 ILE 57 2HG2 ILE 57 5.979 -3.187 -1.924 470 3HG2 ILE 57 3HG2 ILE 57 5.001 -3.446 -0.459 471 1HD1 ILE 57 1HD1 ILE 57 2.100 -5.226 -1.964 472 2HD1 ILE 57 2HD1 ILE 57 3.018 -5.948 -0.620 473 3HD1 ILE 57 3HD1 ILE 57 3.067 -4.189 -0.889 474 H ALA 58 H ALA 58 8.096 -3.667 -2.024 475 HA ALA 58 HA ALA 58 8.767 -2.016 -3.353 476 1HB ALA 58 1HB ALA 58 10.432 -2.723 -4.744 477 2HB ALA 58 2HB ALA 58 10.057 -4.313 -4.037 478 3HB ALA 58 3HB ALA 58 9.368 -3.856 -5.613 479 H HIS 59 H HIS 59 8.745 -1.616 -6.162 480 HA HIS 59 HA HIS 59 7.442 -0.793 -7.723 481 1HB HIS 59 1HB HIS 59 6.296 -3.429 -7.106 482 2HB HIS 59 2HB HIS 59 5.162 -2.341 -7.882 483 HD1 HIS 59 1HD HIS 59 8.912 -2.890 -8.529 484 HD2 HIS 59 2HD HIS 59 5.225 -2.995 -10.527 485 HE1 HIS 59 1HE HIS 59 9.439 -3.388 -10.976 486 H ARG 60 H ARG 60 7.250 0.422 -5.159 487 HA ARG 60 HA ARG 60 5.796 1.362 -3.732 488 1HB ARG 60 1HB ARG 60 4.550 3.245 -5.220 489 2HB ARG 60 2HB ARG 60 6.276 3.298 -4.920 490 1HG ARG 60 1HG ARG 60 5.557 1.595 -7.235 491 2HG ARG 60 2HG ARG 60 5.065 3.265 -7.436 492 1HD ARG 60 1HD ARG 60 7.268 3.308 -8.268 493 2HD ARG 60 2HD ARG 60 7.500 3.849 -6.618 494 HE ARG 60 HE ARG 60 7.688 0.939 -6.919 495 1HH1 ARG 60 1HH1 ARG 60 11.151 0.939 -6.486 496 2HH1 ARG 60 2HH1 ARG 60 9.721 -0.037 -6.548 497 1HH2 ARG 60 1HH2 ARG 60 11.002 3.236 -6.778 498 2HH2 ARG 60 2HH2 ARG 60 9.461 3.975 -7.059 499 H LEU 61 H LEU 61 3.564 1.985 -6.440 500 HA LEU 61 HA LEU 61 1.771 -0.127 -5.727 501 1HB LEU 61 1HB LEU 61 1.625 2.119 -4.143 502 2HB LEU 61 2HB LEU 61 0.411 2.440 -5.364 503 HG LEU 61 HG LEU 61 -0.364 -0.027 -4.797 504 1HD1 LEU 61 1HD1 LEU 61 1.383 0.736 -2.488 505 2HD1 LEU 61 2HD1 LEU 61 -0.102 -0.199 -2.189 506 3HD1 LEU 61 3HD1 LEU 61 1.151 -0.842 -3.277 507 1HD2 LEU 61 1HD2 LEU 61 -2.144 0.919 -3.771 508 2HD2 LEU 61 2HD2 LEU 61 -1.139 1.881 -2.660 509 3HD2 LEU 61 3HD2 LEU 61 -1.372 2.420 -4.340 510 H ALA 62 H ALA 62 -0.573 0.868 -6.866 511 HA ALA 62 HA ALA 62 0.340 1.222 -9.621 512 1HB ALA 62 1HB ALA 62 -1.044 -0.700 -9.355 513 2HB ALA 62 2HB ALA 62 -2.207 0.183 -8.336 514 3HB ALA 62 3HB ALA 62 -2.093 0.545 -10.076 515 H SER 63 H SER 63 -2.959 2.038 -8.867 516 HA SER 63 HA SER 63 -2.774 4.619 -8.069 517 1HB SER 63 1HB SER 63 -1.490 5.284 -9.969 518 2HB SER 63 2HB SER 63 -2.454 4.322 -11.071 519 HG SER 63 HG SER 63 -4.278 5.781 -10.590 520 H VAL 64 H VAL 64 -4.855 4.963 -7.380 521 HA VAL 64 HA VAL 64 -7.011 3.991 -9.111 522 HB VAL 64 HB VAL 64 -6.708 3.587 -6.131 523 1HG1 VAL 64 1HG1 VAL 64 -9.043 2.396 -7.493 524 2HG1 VAL 64 2HG1 VAL 64 -8.916 3.181 -5.900 525 3HG1 VAL 64 3HG1 VAL 64 -9.076 4.172 -7.371 526 1HG2 VAL 64 1HG2 VAL 64 -5.523 2.003 -7.724 527 2HG2 VAL 64 2HG2 VAL 64 -6.670 1.252 -6.589 528 3HG2 VAL 64 3HG2 VAL 64 -7.136 1.503 -8.288 529 H ASN 65 H ASN 65 -7.734 5.222 -5.923 530 HA ASN 65 HA ASN 65 -9.400 7.124 -6.644 531 1HB ASN 65 1HB ASN 65 -8.498 8.403 -4.497 532 2HB ASN 65 2HB ASN 65 -9.222 6.818 -4.311 533 1HD2 ASN 65 1HD2 ASN 65 -7.001 8.481 -2.976 534 2HD2 ASN 65 2HD2 ASN 65 -5.693 7.368 -2.758 535 H LEU 66 H LEU 66 -5.861 7.688 -5.945 536 HA LEU 66 HA LEU 66 -4.401 9.010 -7.014 537 1HB LEU 66 1HB LEU 66 -6.085 8.771 -8.992 538 2HB LEU 66 2HB LEU 66 -6.556 10.404 -8.562 539 HG LEU 66 HG LEU 66 -3.875 10.738 -8.684 540 1HD1 LEU 66 1HD1 LEU 66 -4.266 8.157 -9.797 541 2HD1 LEU 66 2HD1 LEU 66 -3.857 9.260 -11.134 542 3HD1 LEU 66 3HD1 LEU 66 -2.773 9.124 -9.728 543 1HD2 LEU 66 1HD2 LEU 66 -6.139 11.166 -10.518 544 2HD2 LEU 66 2HD2 LEU 66 -4.887 12.293 -9.943 545 3HD2 LEU 66 3HD2 LEU 66 -4.536 11.188 -11.293 546 H SER 67 H SER 67 -7.568 10.565 -6.200 547 HA SER 67 HA SER 67 -8.060 12.319 -5.020 548 1HB SER 67 1HB SER 67 -5.578 11.348 -3.597 549 2HB SER 67 2HB SER 67 -6.315 12.850 -3.077 550 HG SER 67 HG SER 67 -7.666 10.292 -3.276 551 H ARG 68 H ARG 68 -4.603 13.020 -4.424 552 HA ARG 68 HA ARG 68 -4.131 14.581 -6.627 553 1HB ARG 68 1HB ARG 68 -6.041 15.917 -5.368 554 2HB ARG 68 2HB ARG 68 -4.766 16.378 -4.257 555 1HG ARG 68 1HG ARG 68 -3.805 17.813 -5.760 556 2HG ARG 68 2HG ARG 68 -3.968 16.683 -7.089 557 1HD ARG 68 1HD ARG 68 -5.657 17.984 -7.879 558 2HD ARG 68 2HD ARG 68 -6.627 17.441 -6.524 559 HE ARG 68 HE ARG 68 -5.267 20.037 -6.778 560 1HH1 ARG 68 1HH1 ARG 68 -6.493 21.147 -3.706 561 2HH1 ARG 68 2HH1 ARG 68 -5.701 21.607 -5.176 562 1HH2 ARG 68 1HH2 ARG 68 -7.114 18.938 -3.364 563 2HH2 ARG 68 2HH2 ARG 68 -6.784 17.747 -4.578 564 H LEU 69 H LEU 69 -2.099 15.984 -6.284 565 HA LEU 69 HA LEU 69 -0.547 14.837 -4.073 566 1HB LEU 69 1HB LEU 69 1.373 14.990 -5.415 567 2HB LEU 69 2HB LEU 69 0.124 14.248 -6.394 568 HG LEU 69 HG LEU 69 0.581 17.209 -6.598 569 1HD1 LEU 69 1HD1 LEU 69 2.711 16.924 -7.184 570 2HD1 LEU 69 2HD1 LEU 69 2.546 15.153 -7.248 571 3HD1 LEU 69 3HD1 LEU 69 2.092 16.140 -8.658 572 1HD2 LEU 69 1HD2 LEU 69 0.100 16.336 -9.100 573 2HD2 LEU 69 2HD2 LEU 69 -0.744 15.073 -8.172 574 3HD2 LEU 69 3HD2 LEU 69 -1.180 16.783 -7.947 575 HA PRO 70 HA PRO 70 -0.226 18.837 -2.469 576 1HB PRO 70 1HB PRO 70 1.871 18.501 -0.748 577 2HB PRO 70 2HB PRO 70 0.229 18.025 -0.363 578 1HG PRO 70 1HG PRO 70 2.526 16.320 -1.105 579 2HG PRO 70 2HG PRO 70 1.029 15.863 -0.317 580 1HD PRO 70 1HD PRO 70 1.725 15.425 -3.065 581 2HD PRO 70 2HD PRO 70 0.186 15.073 -2.305 582 H TYR 71 H TYR 71 0.350 20.652 -3.465 583 HA TYR 71 HA TYR 71 3.135 20.671 -4.415 584 1HB TYR 71 1HB TYR 71 2.288 21.646 -6.453 585 2HB TYR 71 2HB TYR 71 1.082 20.432 -6.079 586 HD1 TYR 71 1HD TYR 71 1.783 24.019 -6.290 587 HD2 TYR 71 2HD TYR 71 -1.136 21.084 -5.205 588 HE1 TYR 71 1HE TYR 71 -0.029 25.804 -6.306 589 HE2 TYR 71 2HE TYR 71 -2.937 22.879 -5.224 590 HH TYR 71 HH TYR 71 -2.101 26.266 -5.654 591 H GLU 72 H GLU 72 4.346 22.284 -3.559 592 HA GLU 72 HA GLU 72 2.876 24.625 -2.630 593 1HB GLU 72 1HB GLU 72 4.113 22.841 -0.957 594 2HB GLU 72 2HB GLU 72 5.436 23.952 -1.251 595 1HG GLU 72 1HG GLU 72 4.003 25.870 -0.567 596 2HG GLU 72 2HG GLU 72 2.648 24.787 -0.318 597 HA PRO 73 HA PRO 73 5.797 26.265 -5.534 598 1HB PRO 73 1HB PRO 73 4.397 28.534 -6.135 599 2HB PRO 73 2HB PRO 73 4.180 27.019 -6.989 600 1HG PRO 73 1HG PRO 73 2.420 28.281 -4.977 601 2HG PRO 73 2HG PRO 73 2.039 27.020 -6.133 602 1HD PRO 73 1HD PRO 73 2.518 26.685 -3.325 603 2HD PRO 73 2HD PRO 73 2.251 25.414 -4.502 604 H LYS 74 H LYS 74 7.445 27.818 -5.534 605 HA LYS 74 HA LYS 74 7.452 30.074 -4.019 606 1HB LYS 74 1HB LYS 74 8.813 29.273 -2.001 607 2HB LYS 74 2HB LYS 74 7.080 29.020 -1.972 608 1HG LYS 74 1HG LYS 74 7.468 26.814 -1.620 609 2HG LYS 74 2HG LYS 74 8.100 26.713 -3.253 610 1HD LYS 74 1HD LYS 74 10.219 26.424 -2.492 611 2HD LYS 74 2HD LYS 74 10.124 27.873 -1.511 612 1HE LYS 74 2HE LYS 74 10.047 26.579 0.349 613 2HE LYS 74 3HE LYS 74 8.499 25.947 -0.178 614 1HZ LYS 74 1HZ LYS 74 10.027 24.485 -1.664 615 2HZ LYS 74 2HZ LYS 74 11.139 24.801 -0.510 616 3HZ LYS 74 3HZ LYS 74 9.733 24.072 -0.111 617 H LEU 75 H LEU 75 9.793 30.843 -3.571 618 HA LEU 75 HA LEU 75 11.999 29.522 -4.504 619 1HB LEU 75 1HB LEU 75 10.301 30.044 -6.651 620 2HB LEU 75 2HB LEU 75 11.512 31.307 -6.744 621 HG LEU 75 HG LEU 75 12.470 28.504 -6.351 622 1HD1 LEU 75 1HD1 LEU 75 12.393 28.104 -8.803 623 2HD1 LEU 75 2HD1 LEU 75 10.789 28.140 -8.034 624 3HD1 LEU 75 3HD1 LEU 75 11.358 29.543 -8.970 625 1HD2 LEU 75 1HD2 LEU 75 14.123 29.486 -8.143 626 2HD2 LEU 75 2HD2 LEU 75 13.468 31.044 -7.583 627 3HD2 LEU 75 3HD2 LEU 75 14.256 29.942 -6.428 628 H LYS 76 H LYS 76 13.469 30.604 -3.316 629 HA LYS 76 HA LYS 76 13.613 33.477 -3.622 630 1HB LYS 76 1HB LYS 76 12.062 33.345 -1.789 631 2HB LYS 76 2HB LYS 76 13.041 32.151 -0.959 632 1HG LYS 76 1HG LYS 76 13.509 34.268 0.096 633 2HG LYS 76 2HG LYS 76 14.923 33.868 -0.857 634 1HD LYS 76 1HD LYS 76 12.878 35.402 -2.366 635 2HD LYS 76 2HD LYS 76 13.525 36.270 -0.988 636 1HE LYS 76 2HE LYS 76 15.408 36.732 -2.162 637 2HE LYS 76 3HE LYS 76 15.759 35.019 -2.276 638 1HZ LYS 76 1HZ LYS 76 15.048 34.974 -4.361 639 2HZ LYS 76 2HZ LYS 76 13.721 35.879 -4.072 640 3HZ LYS 76 3HZ LYS 76 15.159 36.604 -4.342 Start of MODEL 15 1 H MET 1 H MET 1 32.868 -0.445 18.375 2 HA MET 1 HA MET 1 33.568 -0.811 20.459 3 1HB MET 1 1HB MET 1 32.259 1.897 20.221 4 2HB MET 1 2HB MET 1 32.768 1.428 21.831 5 1HG MET 1 1HG MET 1 35.080 0.977 20.965 6 2HG MET 1 2HG MET 1 34.569 1.456 19.359 7 1HE MET 1 1HE MET 1 36.101 3.144 18.917 8 2HE MET 1 2HE MET 1 36.355 4.680 19.781 9 3HE MET 1 3HE MET 1 37.040 3.171 20.429 10 H LEU 2 H LEU 2 31.331 -2.430 20.248 11 HA LEU 2 HA LEU 2 30.428 -2.428 22.970 12 1HB LEU 2 1HB LEU 2 28.763 -1.336 20.854 13 2HB LEU 2 2HB LEU 2 28.008 -2.719 21.622 14 HG LEU 2 HG LEU 2 29.071 -1.016 23.672 15 1HD1 LEU 2 1HD1 LEU 2 27.276 0.863 23.029 16 2HD1 LEU 2 2HD1 LEU 2 28.994 0.966 22.575 17 3HD1 LEU 2 3HD1 LEU 2 27.793 0.399 21.391 18 1HD2 LEU 2 1HD2 LEU 2 26.330 -1.938 22.822 19 2HD2 LEU 2 2HD2 LEU 2 27.312 -2.462 24.211 20 3HD2 LEU 2 3HD2 LEU 2 26.568 -0.845 24.206 21 H LYS 3 H LYS 3 28.804 -3.846 20.094 22 HA LYS 3 HA LYS 3 30.275 -6.233 20.098 23 1HB LYS 3 1HB LYS 3 28.792 -6.167 22.349 24 2HB LYS 3 2HB LYS 3 27.595 -6.823 21.250 25 1HG LYS 3 1HG LYS 3 28.646 -8.840 21.148 26 2HG LYS 3 2HG LYS 3 30.203 -8.100 20.833 27 1HD LYS 3 1HD LYS 3 29.971 -7.444 23.459 28 2HD LYS 3 2HD LYS 3 28.964 -8.879 23.459 29 1HE LYS 3 2HE LYS 3 30.991 -9.964 22.118 30 2HE LYS 3 3HE LYS 3 31.912 -8.638 22.801 31 1HZ LYS 3 1HZ LYS 3 31.127 -9.334 24.985 32 2HZ LYS 3 2HZ LYS 3 30.348 -10.607 24.321 33 3HZ LYS 3 3HZ LYS 3 31.977 -10.515 24.244 34 H ASN 4 H ASN 4 26.698 -5.689 19.931 35 HA ASN 4 HA ASN 4 26.577 -5.085 17.279 36 1HB ASN 4 1HB ASN 4 27.417 -7.751 17.533 37 2HB ASN 4 2HB ASN 4 25.687 -7.920 17.312 38 1HD2 ASN 4 1HD2 ASN 4 26.089 -8.898 15.304 39 2HD2 ASN 4 2HD2 ASN 4 26.470 -7.978 13.888 40 H LEU 5 H LEU 5 24.276 -5.023 16.576 41 HA LEU 5 HA LEU 5 22.433 -5.627 18.785 42 1HB LEU 5 1HB LEU 5 21.071 -3.767 17.962 43 2HB LEU 5 2HB LEU 5 22.653 -3.268 18.525 44 HG LEU 5 HG LEU 5 23.240 -3.502 15.924 45 1HD1 LEU 5 1HD1 LEU 5 20.713 -2.273 15.287 46 2HD1 LEU 5 2HD1 LEU 5 21.531 -3.655 14.519 47 3HD1 LEU 5 3HD1 LEU 5 20.457 -3.919 15.915 48 1HD2 LEU 5 1HD2 LEU 5 22.172 -1.253 17.564 49 2HD2 LEU 5 2HD2 LEU 5 23.764 -1.465 16.796 50 3HD2 LEU 5 3HD2 LEU 5 22.357 -0.995 15.812 51 H ALA 6 H ALA 6 22.556 -5.179 15.177 52 HA ALA 6 HA ALA 6 21.255 -6.089 13.597 53 1HB ALA 6 1HB ALA 6 22.060 -8.181 13.156 54 2HB ALA 6 2HB ALA 6 23.116 -7.829 14.544 55 3HB ALA 6 3HB ALA 6 21.641 -8.798 14.773 56 H LYS 7 H LYS 7 19.258 -5.081 14.451 57 HA LYS 7 HA LYS 7 17.597 -6.642 16.170 58 1HB LYS 7 1HB LYS 7 15.909 -4.833 15.536 59 2HB LYS 7 2HB LYS 7 17.346 -4.328 16.403 60 1HG LYS 7 1HG LYS 7 18.316 -3.326 14.501 61 2HG LYS 7 2HG LYS 7 17.407 -4.321 13.381 62 1HD LYS 7 1HD LYS 7 15.758 -2.769 13.245 63 2HD LYS 7 2HD LYS 7 15.543 -2.778 14.984 64 1HE LYS 7 2HE LYS 7 18.001 -1.362 14.102 65 2HE LYS 7 3HE LYS 7 16.522 -0.637 13.503 66 1HZ LYS 7 1HZ LYS 7 17.498 -0.793 16.182 67 2HZ LYS 7 2HZ LYS 7 16.485 0.293 15.504 68 3HZ LYS 7 3HZ LYS 7 15.907 -1.136 16.045 69 H LEU 8 H LEU 8 18.037 -6.181 12.663 70 HA LEU 8 HA LEU 8 17.064 -7.113 10.907 71 1HB LEU 8 1HB LEU 8 17.546 -9.205 12.855 72 2HB LEU 8 2HB LEU 8 16.211 -9.619 11.798 73 HG LEU 8 HG LEU 8 18.935 -8.749 10.800 74 1HD1 LEU 8 1HD1 LEU 8 17.915 -11.591 10.874 75 2HD1 LEU 8 2HD1 LEU 8 19.556 -11.003 10.514 76 3HD1 LEU 8 3HD1 LEU 8 18.915 -10.892 12.171 77 1HD2 LEU 8 1HD2 LEU 8 18.072 -8.768 8.755 78 2HD2 LEU 8 2HD2 LEU 8 17.387 -10.392 9.001 79 3HD2 LEU 8 3HD2 LEU 8 16.460 -8.952 9.489 80 H ASP 9 H ASP 9 15.295 -5.790 10.513 81 HA ASP 9 HA ASP 9 12.868 -6.804 10.367 82 1HB ASP 9 1HB ASP 9 11.705 -5.584 12.392 83 2HB ASP 9 2HB ASP 9 12.416 -7.167 12.635 84 H GLN 10 H GLN 10 14.142 -5.088 8.779 85 HA GLN 10 HA GLN 10 13.345 -2.396 9.495 86 1HB GLN 10 1HB GLN 10 14.822 -1.668 7.684 87 2HB GLN 10 2HB GLN 10 15.682 -2.786 8.725 88 1HG GLN 10 1HG GLN 10 14.744 -4.605 6.987 89 2HG GLN 10 2HG GLN 10 14.641 -3.218 5.922 90 1HE2 GLN 10 1HE2 GLN 10 16.362 -2.662 4.822 91 2HE2 GLN 10 2HE2 GLN 10 18.002 -3.124 5.141 92 H THR 11 H THR 11 12.362 -5.129 7.601 93 HA THR 11 HA THR 11 11.055 -3.704 5.512 94 HB THR 11 HB THR 11 11.053 -6.546 6.611 95 HG1 THR 11 1HG THR 11 12.713 -6.319 5.148 96 1HG2 THR 11 1HG2 THR 11 9.839 -6.223 3.961 97 2HG2 THR 11 2HG2 THR 11 9.231 -7.139 5.361 98 3HG2 THR 11 3HG2 THR 11 8.862 -5.405 5.203 99 H GLU 12 H GLU 12 9.715 -5.523 8.358 100 HA GLU 12 HA GLU 12 7.158 -4.573 7.984 101 1HB GLU 12 1HB GLU 12 8.114 -6.484 9.515 102 2HB GLU 12 2HB GLU 12 8.269 -5.228 10.727 103 1HG GLU 12 1HG GLU 12 5.773 -4.662 10.189 104 2HG GLU 12 2HG GLU 12 5.731 -6.211 9.370 105 H MET 13 H MET 13 10.019 -3.011 9.247 106 HA MET 13 HA MET 13 8.739 -1.176 10.924 107 1HB MET 13 1HB MET 13 11.394 -1.822 10.032 108 2HB MET 13 2HB MET 13 11.168 -0.124 9.663 109 1HG MET 13 1HG MET 13 10.788 0.458 11.940 110 2HG MET 13 2HG MET 13 10.364 -1.180 12.392 111 1HE MET 13 1HE MET 13 14.082 0.574 13.504 112 2HE MET 13 2HE MET 13 13.287 1.410 12.149 113 3HE MET 13 3HE MET 13 12.356 0.994 13.608 114 H ASP 14 H ASP 14 9.449 -1.261 7.419 115 HA ASP 14 HA ASP 14 8.915 1.461 7.007 116 1HB ASP 14 1HB ASP 14 10.158 -0.262 5.490 117 2HB ASP 14 2HB ASP 14 8.566 -0.762 4.954 118 H LYS 15 H LYS 15 7.009 -1.519 7.291 119 HA LYS 15 HA LYS 15 4.660 -0.323 6.100 120 1HB LYS 15 1HB LYS 15 5.539 -3.029 6.915 121 2HB LYS 15 2HB LYS 15 3.837 -2.698 7.165 122 1HG LYS 15 1HG LYS 15 4.362 -3.639 4.878 123 2HG LYS 15 2HG LYS 15 3.515 -2.105 4.831 124 1HD LYS 15 1HD LYS 15 5.251 -1.799 3.253 125 2HD LYS 15 2HD LYS 15 5.877 -1.006 4.684 126 1HE LYS 15 2HE LYS 15 7.605 -2.481 4.871 127 2HE LYS 15 3HE LYS 15 6.548 -3.866 4.688 128 1HZ LYS 15 1HZ LYS 15 6.536 -3.366 2.283 129 2HZ LYS 15 2HZ LYS 15 7.686 -2.233 2.533 130 3HZ LYS 15 3HZ LYS 15 8.002 -3.803 2.858 131 H VAL 16 H VAL 16 6.004 -1.178 9.315 132 HA VAL 16 HA VAL 16 3.686 -0.738 10.790 133 HB VAL 16 HB VAL 16 6.525 -1.131 11.222 134 1HG1 VAL 16 1HG1 VAL 16 5.083 0.750 13.121 135 2HG1 VAL 16 2HG1 VAL 16 6.616 -0.080 13.479 136 3HG1 VAL 16 3HG1 VAL 16 6.534 1.104 12.153 137 1HG2 VAL 16 1HG2 VAL 16 4.689 -1.672 13.448 138 2HG2 VAL 16 2HG2 VAL 16 4.144 -2.358 11.898 139 3HG2 VAL 16 3HG2 VAL 16 5.751 -2.775 12.541 140 H ASN 17 H ASN 17 5.625 1.433 8.938 141 HA ASN 17 HA ASN 17 5.221 3.703 10.558 142 1HB ASN 17 1HB ASN 17 7.058 3.834 9.028 143 2HB ASN 17 2HB ASN 17 6.110 3.219 7.689 144 1HD2 ASN 17 1HD2 ASN 17 4.337 4.551 6.889 145 2HD2 ASN 17 2HD2 ASN 17 4.491 6.277 6.888 146 H VAL 18 H VAL 18 3.966 2.740 7.263 147 HA VAL 18 HA VAL 18 2.014 4.681 7.081 148 HB VAL 18 HB VAL 18 2.163 1.888 5.933 149 1HG1 VAL 18 1HG1 VAL 18 0.047 2.210 5.266 150 2HG1 VAL 18 2HG1 VAL 18 0.064 3.922 5.752 151 3HG1 VAL 18 3HG1 VAL 18 0.702 3.442 4.161 152 1HG2 VAL 18 1HG2 VAL 18 2.809 3.313 3.858 153 2HG2 VAL 18 2HG2 VAL 18 3.167 4.590 5.045 154 3HG2 VAL 18 3HG2 VAL 18 4.029 3.035 5.124 155 H ASP 19 H ASP 19 2.208 1.872 9.132 156 HA ASP 19 HA ASP 19 -0.323 1.064 9.415 157 1HB ASP 19 1HB ASP 19 1.641 0.203 10.696 158 2HB ASP 19 2HB ASP 19 1.661 1.666 11.660 159 H LEU 20 H LEU 20 1.286 3.900 11.030 160 HA LEU 20 HA LEU 20 -0.766 4.748 12.618 161 1HB LEU 20 1HB LEU 20 1.680 5.578 12.253 162 2HB LEU 20 2HB LEU 20 0.947 6.698 11.119 163 HG LEU 20 HG LEU 20 -0.602 6.875 13.474 164 1HD1 LEU 20 1HD1 LEU 20 1.461 7.699 14.940 165 2HD1 LEU 20 2HD1 LEU 20 0.845 6.031 15.012 166 3HD1 LEU 20 3HD1 LEU 20 2.286 6.405 14.037 167 1HD2 LEU 20 1HD2 LEU 20 1.558 8.820 12.669 168 2HD2 LEU 20 2HD2 LEU 20 0.065 8.615 11.721 169 3HD2 LEU 20 3HD2 LEU 20 -0.023 9.146 13.418 170 H ALA 21 H ALA 21 -0.473 4.847 9.099 171 HA ALA 21 HA ALA 21 -2.355 6.863 8.612 172 1HB ALA 21 1HB ALA 21 -1.867 4.462 6.832 173 2HB ALA 21 2HB ALA 21 -2.218 6.144 6.366 174 3HB ALA 21 3HB ALA 21 -0.629 5.723 7.050 175 H ALA 22 H ALA 22 -2.686 3.240 8.623 176 HA ALA 22 HA ALA 22 -4.400 1.992 9.339 177 1HB ALA 22 1HB ALA 22 -6.165 4.418 9.704 178 2HB ALA 22 2HB ALA 22 -6.172 2.877 10.595 179 3HB ALA 22 3HB ALA 22 -4.870 4.058 10.872 180 H ALA 23 H ALA 23 -6.018 4.840 7.759 181 HA ALA 23 HA ALA 23 -7.175 5.012 5.882 182 1HB ALA 23 1HB ALA 23 -6.571 3.537 3.969 183 2HB ALA 23 2HB ALA 23 -5.138 4.214 4.779 184 3HB ALA 23 3HB ALA 23 -5.613 2.525 5.076 185 H GLY 24 H GLY 24 -9.130 4.199 4.827 186 1HA GLY 24 1HA GLY 24 -10.205 1.731 6.029 187 2HA GLY 24 2HA GLY 24 -11.104 3.231 6.133 188 H VAL 25 H VAL 25 -11.839 4.296 4.126 189 HA VAL 25 HA VAL 25 -12.170 2.317 1.987 190 HB VAL 25 HB VAL 25 -13.846 4.777 2.280 191 1HG1 VAL 25 1HG1 VAL 25 -13.916 2.242 0.813 192 2HG1 VAL 25 2HG1 VAL 25 -15.447 2.607 1.643 193 3HG1 VAL 25 3HG1 VAL 25 -14.759 3.777 0.492 194 1HG2 VAL 25 1HG2 VAL 25 -13.983 4.014 4.511 195 2HG2 VAL 25 2HG2 VAL 25 -15.421 3.346 3.702 196 3HG2 VAL 25 3HG2 VAL 25 -14.011 2.305 4.014 197 H ALA 26 H ALA 26 -11.422 5.768 2.736 198 HA ALA 26 HA ALA 26 -11.152 6.874 0.329 199 1HB ALA 26 1HB ALA 26 -8.864 7.154 2.269 200 2HB ALA 26 2HB ALA 26 -9.731 8.409 1.352 201 3HB ALA 26 3HB ALA 26 -10.498 7.650 2.767 202 H PHE 27 H PHE 27 -9.146 4.264 1.686 203 HA PHE 27 HA PHE 27 -7.809 4.116 -0.917 204 1HB PHE 27 1HB PHE 27 -6.459 5.077 1.127 205 2HB PHE 27 2HB PHE 27 -6.587 3.476 1.827 206 HD1 PHE 27 1HD PHE 27 -5.170 5.404 -0.979 207 HD2 PHE 27 2HD PHE 27 -5.201 1.690 1.073 208 HE1 PHE 27 1HE PHE 27 -3.120 4.691 -2.239 209 HE2 PHE 27 2HE PHE 27 -3.150 0.977 -0.187 210 HZ PHE 27 HZ PHE 27 -2.134 2.486 -1.828 211 H LYS 28 H LYS 28 -6.696 1.854 -1.152 212 HA LYS 28 HA LYS 28 -6.801 -0.361 -1.117 213 1HB LYS 28 1HB LYS 28 -6.849 -1.078 0.989 214 2HB LYS 28 2HB LYS 28 -7.772 0.318 1.511 215 1HG LYS 28 1HG LYS 28 -9.861 -0.854 0.558 216 2HG LYS 28 2HG LYS 28 -8.869 -2.285 0.359 217 1HD LYS 28 1HD LYS 28 -9.875 -1.001 2.877 218 2HD LYS 28 2HD LYS 28 -9.709 -2.702 2.486 219 1HE LYS 28 2HE LYS 28 -7.224 -2.517 2.724 220 2HE LYS 28 3HE LYS 28 -7.385 -0.815 3.110 221 1HZ LYS 28 1HZ LYS 28 -9.007 -2.571 4.695 222 2HZ LYS 28 2HZ LYS 28 -7.399 -2.745 4.915 223 3HZ LYS 28 3HZ LYS 28 -8.102 -1.291 5.152 224 H GLU 29 H GLU 29 -9.161 1.798 -1.881 225 HA GLU 29 HA GLU 29 -11.376 0.148 -2.258 226 1HB GLU 29 1HB GLU 29 -11.748 2.093 -4.128 227 2HB GLU 29 2HB GLU 29 -12.069 2.321 -2.420 228 1HG GLU 29 1HG GLU 29 -9.970 3.424 -2.052 229 2HG GLU 29 2HG GLU 29 -9.303 2.851 -3.568 230 H ARG 30 H ARG 30 -8.341 -0.093 -3.624 231 HA ARG 30 HA ARG 30 -8.834 -0.364 -6.305 232 1HB ARG 30 1HB ARG 30 -6.605 -0.479 -4.810 233 2HB ARG 30 2HB ARG 30 -6.870 -2.207 -4.922 234 1HG ARG 30 1HG ARG 30 -5.918 -2.188 -6.977 235 2HG ARG 30 2HG ARG 30 -7.259 -1.224 -7.562 236 1HD ARG 30 1HD ARG 30 -5.870 0.777 -6.412 237 2HD ARG 30 2HD ARG 30 -4.526 -0.321 -6.653 238 HE ARG 30 HE ARG 30 -4.723 -0.052 -8.991 239 1HH1 ARG 30 1HH1 ARG 30 -6.906 1.994 -10.787 240 2HH1 ARG 30 2HH1 ARG 30 -5.476 1.019 -10.864 241 1HH2 ARG 30 1HH2 ARG 30 -8.054 2.213 -8.782 242 2HH2 ARG 30 2HH2 ARG 30 -7.482 1.402 -7.363 243 H TYR 31 H TYR 31 -9.976 -2.248 -3.662 244 HA TYR 31 HA TYR 31 -10.186 -4.703 -5.204 245 1HB TYR 31 1HB TYR 31 -10.437 -5.593 -3.044 246 2HB TYR 31 2HB TYR 31 -9.775 -4.050 -2.544 247 HD1 TYR 31 1HD TYR 31 -11.113 -2.436 -1.373 248 HD2 TYR 31 2HD TYR 31 -12.917 -5.967 -2.979 249 HE1 TYR 31 1HE TYR 31 -13.233 -1.961 -0.054 250 HE2 TYR 31 2HE TYR 31 -15.031 -5.481 -1.653 251 HH TYR 31 HH TYR 31 -15.340 -2.497 0.215 252 H ASN 32 H ASN 32 -11.725 -1.926 -5.579 253 HA ASN 32 HA ASN 32 -13.662 -1.349 -6.366 254 1HB ASN 32 1HB ASN 32 -13.718 -3.318 -7.794 255 2HB ASN 32 2HB ASN 32 -14.125 -4.367 -6.450 256 1HD2 ASN 32 1HD2 ASN 32 -15.838 -5.010 -7.944 257 2HD2 ASN 32 2HD2 ASN 32 -17.337 -4.142 -7.952 258 H MET 33 H MET 33 -13.680 -0.672 -3.883 259 HA MET 33 HA MET 33 -15.411 -2.202 -2.231 260 1HB MET 33 1HB MET 33 -14.872 -0.542 -0.560 261 2HB MET 33 2HB MET 33 -13.417 -0.693 -1.524 262 1HG MET 33 1HG MET 33 -13.610 1.621 -1.538 263 2HG MET 33 2HG MET 33 -14.570 1.268 -2.961 264 1HE MET 33 1HE MET 33 -16.178 4.234 -1.080 265 2HE MET 33 2HE MET 33 -14.871 3.704 -2.165 266 3HE MET 33 3HE MET 33 -16.568 3.543 -2.673 267 HA PRO 34 HA PRO 34 -19.061 -0.248 -3.629 268 1HB PRO 34 1HB PRO 34 -20.830 -1.508 -1.969 269 2HB PRO 34 2HB PRO 34 -20.262 -2.206 -3.473 270 1HG PRO 34 1HG PRO 34 -19.497 -2.897 -0.702 271 2HG PRO 34 2HG PRO 34 -19.282 -3.835 -2.166 272 1HD PRO 34 1HD PRO 34 -17.267 -2.349 -0.769 273 2HD PRO 34 2HD PRO 34 -17.079 -3.190 -2.294 274 H VAL 35 H VAL 35 -21.131 0.836 -2.618 275 HA VAL 35 HA VAL 35 -20.076 2.968 -1.109 276 HB VAL 35 HB VAL 35 -22.942 2.152 -1.632 277 1HG1 VAL 35 1HG1 VAL 35 -21.987 4.120 0.083 278 2HG1 VAL 35 2HG1 VAL 35 -22.359 5.010 -1.413 279 3HG1 VAL 35 3HG1 VAL 35 -23.620 4.033 -0.621 280 1HG2 VAL 35 1HG2 VAL 35 -21.003 2.810 -3.506 281 2HG2 VAL 35 2HG2 VAL 35 -22.765 2.906 -3.734 282 3HG2 VAL 35 3HG2 VAL 35 -21.853 4.349 -3.228 283 H ILE 36 H ILE 36 -19.141 1.029 0.409 284 HA ILE 36 HA ILE 36 -20.708 1.297 2.819 285 HB ILE 36 HB ILE 36 -20.587 -1.181 1.271 286 1HG1 ILE 36 1HG1 ILE 36 -22.261 -0.525 3.700 287 2HG1 ILE 36 2HG1 ILE 36 -22.616 0.143 2.119 288 1HG2 ILE 36 1HG2 ILE 36 -18.892 -1.868 2.795 289 2HG2 ILE 36 2HG2 ILE 36 -19.778 -1.198 4.186 290 3HG2 ILE 36 3HG2 ILE 36 -20.416 -2.619 3.325 291 1HD1 ILE 36 1HD1 ILE 36 -22.187 -2.610 1.637 292 2HD1 ILE 36 2HD1 ILE 36 -23.135 -2.544 3.142 293 3HD1 ILE 36 3HD1 ILE 36 -23.752 -1.764 1.666 294 H ALA 37 H ALA 37 -19.417 0.632 4.757 295 HA ALA 37 HA ALA 37 -16.556 0.934 4.153 296 1HB ALA 37 1HB ALA 37 -18.393 2.093 6.205 297 2HB ALA 37 2HB ALA 37 -16.747 1.677 6.738 298 3HB ALA 37 3HB ALA 37 -16.985 2.817 5.392 299 H GLU 38 H GLU 38 -19.089 -0.823 5.974 300 HA GLU 38 HA GLU 38 -17.311 -2.340 7.496 301 1HB GLU 38 1HB GLU 38 -19.842 -1.964 7.839 302 2HB GLU 38 2HB GLU 38 -20.097 -3.202 6.625 303 1HG GLU 38 1HG GLU 38 -18.643 -4.767 8.019 304 2HG GLU 38 2HG GLU 38 -18.597 -3.535 9.264 305 H ALA 39 H ALA 39 -17.832 -2.275 4.150 306 HA ALA 39 HA ALA 39 -17.161 -5.117 3.864 307 1HB ALA 39 1HB ALA 39 -19.209 -4.033 2.712 308 2HB ALA 39 2HB ALA 39 -18.023 -3.223 1.660 309 3HB ALA 39 3HB ALA 39 -18.111 -5.000 1.700 310 H VAL 40 H VAL 40 -15.701 -2.147 4.235 311 HA VAL 40 HA VAL 40 -13.761 -2.433 2.119 312 HB VAL 40 HB VAL 40 -14.675 -0.399 3.959 313 1HG1 VAL 40 1HG1 VAL 40 -12.571 0.693 4.456 314 2HG1 VAL 40 2HG1 VAL 40 -12.549 -0.953 5.131 315 3HG1 VAL 40 3HG1 VAL 40 -11.662 -0.595 3.629 316 1HG2 VAL 40 1HG2 VAL 40 -14.047 -0.673 1.254 317 2HG2 VAL 40 2HG2 VAL 40 -14.554 0.817 2.085 318 3HG2 VAL 40 3HG2 VAL 40 -12.823 0.458 1.878 319 H GLU 41 H GLU 41 -14.093 -3.044 5.634 320 HA GLU 41 HA GLU 41 -11.339 -3.941 5.671 321 1HB GLU 41 1HB GLU 41 -13.131 -2.728 7.599 322 2HB GLU 41 2HB GLU 41 -12.572 -4.263 8.232 323 1HG GLU 41 1HG GLU 41 -10.331 -3.598 8.279 324 2HG GLU 41 2HG GLU 41 -10.518 -2.478 6.945 325 H ARG 42 H ARG 42 -14.703 -5.066 5.794 326 HA ARG 42 HA ARG 42 -14.074 -7.615 6.789 327 1HB ARG 42 1HB ARG 42 -16.346 -6.754 7.011 328 2HB ARG 42 2HB ARG 42 -16.486 -6.502 5.282 329 1HG ARG 42 1HG ARG 42 -17.092 -8.667 4.910 330 2HG ARG 42 2HG ARG 42 -15.778 -9.287 5.890 331 1HD ARG 42 1HD ARG 42 -17.811 -8.014 7.578 332 2HD ARG 42 2HD ARG 42 -18.535 -9.247 6.565 333 HE ARG 42 HE ARG 42 -16.804 -9.710 8.815 334 1HH1 ARG 42 1HH1 ARG 42 -16.118 -13.047 8.058 335 2HH1 ARG 42 2HH1 ARG 42 -16.074 -11.824 9.284 336 1HH2 ARG 42 1HH2 ARG 42 -16.917 -12.537 5.938 337 2HH2 ARG 42 2HH2 ARG 42 -17.470 -10.935 5.583 338 H GLU 43 H GLU 43 -13.929 -6.050 3.644 339 HA GLU 43 HA GLU 43 -14.141 -8.418 2.125 340 1HB GLU 43 1HB GLU 43 -13.437 -5.546 1.604 341 2HB GLU 43 2HB GLU 43 -12.916 -6.721 0.413 342 1HG GLU 43 1HG GLU 43 -15.764 -6.858 1.414 343 2HG GLU 43 2HG GLU 43 -15.341 -5.593 0.277 344 H GLN 44 H GLN 44 -11.301 -6.175 2.101 345 HA GLN 44 HA GLN 44 -9.558 -8.125 3.135 346 1HB GLN 44 1HB GLN 44 -10.149 -8.467 0.410 347 2HB GLN 44 2HB GLN 44 -8.621 -7.612 0.395 348 1HG GLN 44 1HG GLN 44 -7.516 -9.497 0.992 349 2HG GLN 44 2HG GLN 44 -8.477 -9.634 2.450 350 1HE2 GLN 44 1HE2 GLN 44 -9.215 -11.606 2.613 351 2HE2 GLN 44 2HE2 GLN 44 -9.968 -12.552 1.372 352 HA PRO 45 HA PRO 45 -7.696 -4.195 3.663 353 1HB PRO 45 1HB PRO 45 -5.803 -4.939 5.489 354 2HB PRO 45 2HB PRO 45 -7.447 -4.518 5.930 355 1HG PRO 45 1HG PRO 45 -6.191 -7.191 5.793 356 2HG PRO 45 2HG PRO 45 -7.659 -6.709 6.619 357 1HD PRO 45 1HD PRO 45 -7.475 -8.137 4.139 358 2HD PRO 45 2HD PRO 45 -8.939 -7.553 4.906 359 H GLU 46 H GLU 46 -7.090 -4.248 1.383 360 HA GLU 46 HA GLU 46 -5.101 -5.468 0.253 361 1HB GLU 46 1HB GLU 46 -5.954 -3.869 -1.160 362 2HB GLU 46 2HB GLU 46 -6.071 -2.656 0.100 363 1HG GLU 46 1HG GLU 46 -3.313 -3.503 -0.784 364 2HG GLU 46 2HG GLU 46 -4.241 -2.485 -1.868 365 H HIS 47 H HIS 47 -4.707 -2.978 2.796 366 HA HIS 47 HA HIS 47 -2.004 -2.531 2.545 367 1HB HIS 47 1HB HIS 47 -2.136 -1.491 4.602 368 2HB HIS 47 2HB HIS 47 -3.791 -1.407 4.031 369 HD1 HIS 47 1HD HIS 47 -5.594 -2.592 5.408 370 HD2 HIS 47 2HD HIS 47 -1.694 -3.430 6.707 371 HE1 HIS 47 1HE HIS 47 -5.830 -3.818 7.632 372 H LEU 48 H LEU 48 -3.625 -5.463 3.207 373 HA LEU 48 HA LEU 48 -1.554 -6.550 4.892 374 1HB LEU 48 1HB LEU 48 -4.203 -7.391 3.868 375 2HB LEU 48 2HB LEU 48 -3.045 -8.674 4.159 376 HG LEU 48 HG LEU 48 -4.605 -8.187 6.057 377 1HD1 LEU 48 1HD1 LEU 48 -2.923 -9.387 6.940 378 2HD1 LEU 48 2HD1 LEU 48 -1.662 -8.367 6.206 379 3HD1 LEU 48 3HD1 LEU 48 -2.470 -7.843 7.702 380 1HD2 LEU 48 1HD2 LEU 48 -3.862 -5.523 5.573 381 2HD2 LEU 48 2HD2 LEU 48 -4.893 -6.147 6.884 382 3HD2 LEU 48 3HD2 LEU 48 -3.144 -5.946 7.146 383 H ARG 49 H ARG 49 -2.702 -6.828 1.477 384 HA ARG 49 HA ARG 49 -1.084 -8.814 0.655 385 1HB ARG 49 1HB ARG 49 -1.552 -8.080 -1.543 386 2HB ARG 49 2HB ARG 49 -2.857 -7.350 -0.630 387 1HG ARG 49 1HG ARG 49 -1.279 -5.279 -0.390 388 2HG ARG 49 2HG ARG 49 -0.322 -6.018 -1.659 389 1HD ARG 49 1HD ARG 49 -3.246 -5.156 -1.832 390 2HD ARG 49 2HD ARG 49 -1.890 -4.468 -2.703 391 HE ARG 49 HE ARG 49 -2.239 -7.336 -3.195 392 1HH1 ARG 49 1HH1 ARG 49 -3.471 -6.818 -6.418 393 2HH1 ARG 49 2HH1 ARG 49 -2.856 -7.986 -5.297 394 1HH2 ARG 49 1HH2 ARG 49 -3.668 -4.594 -5.787 395 2HH2 ARG 49 2HH2 ARG 49 -3.200 -4.101 -4.193 396 H SER 50 H SER 50 -0.297 -5.364 1.239 397 HA SER 50 HA SER 50 2.312 -5.661 0.119 398 1HB SER 50 1HB SER 50 0.747 -3.434 1.420 399 2HB SER 50 2HB SER 50 2.490 -3.280 1.327 400 HG SER 50 HG SER 50 1.394 -4.131 -1.087 401 H TRP 51 H TRP 51 0.713 -5.712 3.310 402 HA TRP 51 HA TRP 51 3.160 -5.569 4.781 403 1HB TRP 51 1HB TRP 51 0.268 -5.907 5.391 404 2HB TRP 51 2HB TRP 51 1.413 -6.510 6.572 405 HD1 TRP 51 HD TRP 51 1.730 -4.694 8.413 406 HE1 TRP 51 1HE TRP 51 1.963 -2.072 8.598 407 HE3 TRP 51 3HE TRP 51 1.146 -3.766 3.449 408 HZ2 TRP 51 2HZ TRP 51 1.878 0.048 6.690 409 HZ3 TRP 51 3HZ TRP 51 1.234 -1.392 2.692 410 HH2 TRP 51 HH TRP 51 1.586 0.481 4.223 411 H PHE 52 H PHE 52 1.605 -7.911 2.830 412 HA PHE 52 HA PHE 52 2.692 -10.129 4.387 413 1HB PHE 52 1HB PHE 52 0.568 -9.620 2.310 414 2HB PHE 52 2HB PHE 52 1.394 -11.156 2.149 415 HD1 PHE 52 1HD PHE 52 -1.506 -9.942 3.254 416 HD2 PHE 52 2HD PHE 52 1.787 -12.117 4.812 417 HE1 PHE 52 1HE PHE 52 -2.993 -10.927 5.019 418 HE2 PHE 52 2HE PHE 52 0.301 -13.102 6.578 419 HZ PHE 52 HZ PHE 52 -2.071 -12.495 6.661 420 H ARG 53 H ARG 53 2.871 -8.477 1.196 421 HA ARG 53 HA ARG 53 5.004 -10.302 0.484 422 1HB ARG 53 1HB ARG 53 2.880 -9.145 -0.993 423 2HB ARG 53 2HB ARG 53 4.304 -8.284 -1.544 424 1HG ARG 53 1HG ARG 53 5.049 -10.086 -2.710 425 2HG ARG 53 2HG ARG 53 4.887 -11.139 -1.318 426 1HD ARG 53 1HD ARG 53 2.723 -10.402 -3.338 427 2HD ARG 53 2HD ARG 53 3.405 -11.990 -3.044 428 HE ARG 53 HE ARG 53 2.279 -10.979 -0.599 429 1HH1 ARG 53 1HH1 ARG 53 -0.798 -12.592 -0.929 430 2HH1 ARG 53 2HH1 ARG 53 0.279 -11.783 0.160 431 1HH2 ARG 53 1HH2 ARG 53 -0.208 -12.861 -3.158 432 2HH2 ARG 53 2HH2 ARG 53 1.308 -12.253 -3.733 433 H GLU 54 H GLU 54 4.648 -7.469 2.155 434 HA GLU 54 HA GLU 54 6.045 -5.497 1.166 435 1HB GLU 54 1HB GLU 54 7.166 -5.404 3.593 436 2HB GLU 54 2HB GLU 54 5.453 -5.111 3.366 437 1HG GLU 54 1HG GLU 54 4.857 -7.019 4.475 438 2HG GLU 54 2HG GLU 54 6.062 -7.986 3.648 439 H ARG 55 H ARG 55 7.983 -7.655 3.319 440 HA ARG 55 HA ARG 55 10.132 -8.061 3.274 441 1HB ARG 55 1HB ARG 55 9.044 -9.869 1.819 442 2HB ARG 55 2HB ARG 55 9.565 -8.968 0.409 443 1HG ARG 55 1HG ARG 55 11.681 -9.781 0.571 444 2HG ARG 55 2HG ARG 55 11.804 -9.299 2.251 445 1HD ARG 55 1HD ARG 55 10.209 -11.769 1.472 446 2HD ARG 55 2HD ARG 55 11.950 -11.857 1.657 447 HE ARG 55 HE ARG 55 10.976 -10.546 3.966 448 1HH1 ARG 55 1HH1 ARG 55 10.353 -13.364 5.928 449 2HH1 ARG 55 2HH1 ARG 55 10.611 -11.652 5.932 450 1HH2 ARG 55 1HH2 ARG 55 10.377 -14.536 3.925 451 2HH2 ARG 55 2HH2 ARG 55 10.653 -13.698 2.435 452 H LEU 56 H LEU 56 9.415 -5.318 2.312 453 HA LEU 56 HA LEU 56 10.564 -3.546 1.629 454 1HB LEU 56 1HB LEU 56 12.578 -5.354 2.111 455 2HB LEU 56 2HB LEU 56 12.878 -4.900 0.445 456 HG LEU 56 HG LEU 56 14.113 -3.566 2.180 457 1HD1 LEU 56 1HD1 LEU 56 12.781 -1.362 0.964 458 2HD1 LEU 56 2HD1 LEU 56 14.327 -2.119 0.516 459 3HD1 LEU 56 3HD1 LEU 56 12.808 -2.705 -0.202 460 1HD2 LEU 56 1HD2 LEU 56 11.620 -3.376 3.399 461 2HD2 LEU 56 2HD2 LEU 56 13.101 -2.496 3.845 462 3HD2 LEU 56 3HD2 LEU 56 11.917 -1.747 2.746 463 H ILE 57 H ILE 57 8.514 -4.365 0.126 464 HA ILE 57 HA ILE 57 9.549 -4.413 -2.619 465 HB ILE 57 HB ILE 57 8.123 -6.313 -1.823 466 1HG1 ILE 57 1HG1 ILE 57 6.517 -5.157 -3.995 467 2HG1 ILE 57 2HG1 ILE 57 8.242 -5.035 -4.268 468 1HG2 ILE 57 1HG2 ILE 57 6.201 -5.965 -0.779 469 2HG2 ILE 57 2HG2 ILE 57 6.467 -4.208 -0.894 470 3HG2 ILE 57 3HG2 ILE 57 5.574 -5.058 -2.178 471 1HD1 ILE 57 1HD1 ILE 57 8.513 -7.307 -4.477 472 2HD1 ILE 57 2HD1 ILE 57 7.328 -7.666 -3.198 473 3HD1 ILE 57 3HD1 ILE 57 6.771 -7.268 -4.842 474 H ALA 58 H ALA 58 7.799 -2.593 -0.178 475 HA ALA 58 HA ALA 58 6.287 -0.931 -1.803 476 1HB ALA 58 1HB ALA 58 6.657 -1.263 0.868 477 2HB ALA 58 2HB ALA 58 7.576 0.241 0.613 478 3HB ALA 58 3HB ALA 58 5.857 0.160 0.158 479 H HIS 59 H HIS 59 6.688 1.286 -2.524 480 HA HIS 59 HA HIS 59 9.234 2.422 -2.427 481 1HB HIS 59 1HB HIS 59 9.471 0.358 -4.042 482 2HB HIS 59 2HB HIS 59 8.676 1.406 -5.198 483 HD1 HIS 59 1HD HIS 59 11.278 2.526 -2.636 484 HD2 HIS 59 2HD HIS 59 10.844 2.049 -6.781 485 HE1 HIS 59 1HE HIS 59 13.368 3.538 -3.695 486 H ARG 60 H ARG 60 7.329 3.843 -1.694 487 HA ARG 60 HA ARG 60 6.173 5.641 -2.009 488 1HB ARG 60 1HB ARG 60 7.889 5.600 -4.408 489 2HB ARG 60 2HB ARG 60 6.377 6.430 -4.714 490 1HG ARG 60 1HG ARG 60 8.027 7.038 -2.232 491 2HG ARG 60 2HG ARG 60 8.372 7.821 -3.762 492 1HD ARG 60 1HD ARG 60 6.661 9.280 -3.444 493 2HD ARG 60 2HD ARG 60 5.517 7.961 -3.307 494 HE ARG 60 HE ARG 60 5.602 8.143 -0.967 495 1HH1 ARG 60 1HH1 ARG 60 7.566 10.199 1.055 496 2HH1 ARG 60 2HH1 ARG 60 6.217 9.114 1.007 497 1HH2 ARG 60 1HH2 ARG 60 8.749 10.665 -0.886 498 2HH2 ARG 60 2HH2 ARG 60 8.283 9.929 -2.383 499 H LEU 61 H LEU 61 3.974 6.105 -2.504 500 HA LEU 61 HA LEU 61 2.726 4.895 -4.773 501 1HB LEU 61 1HB LEU 61 2.877 3.362 -2.413 502 2HB LEU 61 2HB LEU 61 1.235 3.971 -2.489 503 HG LEU 61 HG LEU 61 1.429 1.768 -3.522 504 1HD1 LEU 61 1HD1 LEU 61 0.876 3.927 -5.576 505 2HD1 LEU 61 2HD1 LEU 61 0.305 2.242 -5.630 506 3HD1 LEU 61 3HD1 LEU 61 -0.269 3.336 -4.349 507 1HD2 LEU 61 1HD2 LEU 61 3.796 1.976 -4.237 508 2HD2 LEU 61 2HD2 LEU 61 2.723 1.352 -5.513 509 3HD2 LEU 61 3HD2 LEU 61 3.272 3.044 -5.561 510 H ALA 62 H ALA 62 1.325 6.404 -5.486 511 HA ALA 62 HA ALA 62 -0.466 7.694 -3.698 512 1HB ALA 62 1HB ALA 62 0.351 9.981 -3.996 513 2HB ALA 62 2HB ALA 62 1.619 8.983 -3.245 514 3HB ALA 62 3HB ALA 62 1.716 9.393 -4.974 515 H SER 63 H SER 63 -2.111 6.982 -5.058 516 HA SER 63 HA SER 63 -2.457 8.522 -7.400 517 1HB SER 63 1HB SER 63 -1.420 5.753 -7.623 518 2HB SER 63 2HB SER 63 -2.856 6.042 -8.585 519 HG SER 63 HG SER 63 -0.509 6.586 -9.417 520 H VAL 64 H VAL 64 -3.371 5.641 -5.431 521 HA VAL 64 HA VAL 64 -5.895 5.162 -6.213 522 HB VAL 64 HB VAL 64 -4.771 5.330 -3.413 523 1HG1 VAL 64 1HG1 VAL 64 -7.020 3.482 -3.954 524 2HG1 VAL 64 2HG1 VAL 64 -6.668 4.479 -2.523 525 3HG1 VAL 64 3HG1 VAL 64 -7.437 5.212 -3.951 526 1HG2 VAL 64 1HG2 VAL 64 -5.156 2.659 -4.259 527 2HG2 VAL 64 2HG2 VAL 64 -4.375 3.509 -5.613 528 3HG2 VAL 64 3HG2 VAL 64 -3.617 3.515 -4.001 529 H ASN 65 H ASN 65 -5.721 7.006 -3.156 530 HA ASN 65 HA ASN 65 -7.988 8.499 -4.026 531 1HB ASN 65 1HB ASN 65 -7.658 9.564 -1.663 532 2HB ASN 65 2HB ASN 65 -8.070 7.863 -1.723 533 1HD2 ASN 65 1HD2 ASN 65 -7.023 8.542 0.523 534 2HD2 ASN 65 2HD2 ASN 65 -5.360 8.094 0.704 535 H LEU 66 H LEU 66 -4.613 9.177 -2.824 536 HA LEU 66 HA LEU 66 -4.086 11.144 -4.715 537 1HB LEU 66 1HB LEU 66 -5.918 12.206 -3.165 538 2HB LEU 66 2HB LEU 66 -4.574 12.453 -2.069 539 HG LEU 66 HG LEU 66 -3.412 13.565 -4.130 540 1HD1 LEU 66 1HD1 LEU 66 -5.895 14.626 -5.120 541 2HD1 LEU 66 2HD1 LEU 66 -4.566 13.836 -6.003 542 3HD1 LEU 66 3HD1 LEU 66 -5.876 12.855 -5.303 543 1HD2 LEU 66 1HD2 LEU 66 -3.891 14.827 -2.176 544 2HD2 LEU 66 2HD2 LEU 66 -4.537 15.747 -3.556 545 3HD2 LEU 66 3HD2 LEU 66 -5.638 14.818 -2.513 546 H SER 67 H SER 67 -3.483 11.133 -1.139 547 HA SER 67 HA SER 67 -1.690 10.762 0.027 548 1HB SER 67 1HB SER 67 -0.725 9.181 -2.398 549 2HB SER 67 2HB SER 67 0.069 9.171 -0.836 550 HG SER 67 HG SER 67 -2.047 8.421 0.063 551 H ARG 68 H ARG 68 -0.966 12.925 0.167 552 HA ARG 68 HA ARG 68 1.176 13.539 -1.702 553 1HB ARG 68 1HB ARG 68 0.482 15.955 -1.581 554 2HB ARG 68 2HB ARG 68 -0.751 14.942 -2.306 555 1HG ARG 68 1HG ARG 68 -2.161 15.058 -0.423 556 2HG ARG 68 2HG ARG 68 -0.842 15.398 0.680 557 1HD ARG 68 1HD ARG 68 -0.590 17.647 -0.676 558 2HD ARG 68 2HD ARG 68 -2.202 17.296 -1.265 559 HE ARG 68 HE ARG 68 -3.073 17.792 0.855 560 1HH1 ARG 68 1HH1 ARG 68 -1.438 18.558 3.842 561 2HH1 ARG 68 2HH1 ARG 68 -2.963 18.511 3.022 562 1HH2 ARG 68 1HH2 ARG 68 0.493 17.891 2.740 563 2HH2 ARG 68 2HH2 ARG 68 0.409 17.345 1.098 564 H LEU 69 H LEU 69 2.374 15.703 -0.653 565 HA LEU 69 HA LEU 69 2.605 15.240 2.228 566 1HB LEU 69 1HB LEU 69 4.880 14.959 2.197 567 2HB LEU 69 2HB LEU 69 4.356 14.017 0.816 568 HG LEU 69 HG LEU 69 5.091 16.823 0.218 569 1HD1 LEU 69 1HD1 LEU 69 7.359 16.722 0.590 570 2HD1 LEU 69 2HD1 LEU 69 6.732 15.875 2.025 571 3HD1 LEU 69 3HD1 LEU 69 7.384 14.943 0.656 572 1HD2 LEU 69 1HD2 LEU 69 4.809 14.335 -1.150 573 2HD2 LEU 69 2HD2 LEU 69 5.125 15.954 -1.819 574 3HD2 LEU 69 3HD2 LEU 69 6.484 14.903 -1.351 575 HA PRO 70 HA PRO 70 2.670 19.549 2.419 576 1HB PRO 70 1HB PRO 70 4.206 20.067 4.618 577 2HB PRO 70 2HB PRO 70 2.534 19.553 4.717 578 1HG PRO 70 1HG PRO 70 4.987 17.991 5.243 579 2HG PRO 70 2HG PRO 70 3.341 17.646 5.732 580 1HD PRO 70 1HD PRO 70 4.792 16.398 3.596 581 2HD PRO 70 2HD PRO 70 3.109 16.138 4.013 582 H TYR 71 H TYR 71 3.622 21.463 1.737 583 HA TYR 71 HA TYR 71 6.294 20.958 0.650 584 1HB TYR 71 1HB TYR 71 4.259 21.705 -0.757 585 2HB TYR 71 2HB TYR 71 4.194 23.170 0.203 586 HD1 TYR 71 1HD TYR 71 5.495 25.053 -0.380 587 HD2 TYR 71 2HD TYR 71 6.390 21.251 -2.127 588 HE1 TYR 71 1HE TYR 71 7.125 26.166 -1.983 589 HE2 TYR 71 2HE TYR 71 8.017 22.377 -3.724 590 HH TYR 71 HH TYR 71 8.007 25.524 -4.383 591 H GLU 72 H GLU 72 7.666 23.094 0.496 592 HA GLU 72 HA GLU 72 8.426 23.754 3.016 593 1HB GLU 72 1HB GLU 72 9.734 24.096 0.887 594 2HB GLU 72 2HB GLU 72 8.738 25.494 0.531 595 1HG GLU 72 1HG GLU 72 10.446 26.593 1.629 596 2HG GLU 72 2HG GLU 72 9.476 26.194 3.033 597 HA PRO 73 HA PRO 73 5.178 26.510 4.099 598 1HB PRO 73 1HB PRO 73 5.813 26.756 6.747 599 2HB PRO 73 2HB PRO 73 4.815 25.460 6.117 600 1HG PRO 73 1HG PRO 73 7.633 25.365 7.004 601 2HG PRO 73 2HG PRO 73 6.507 24.040 6.782 602 1HD PRO 73 1HD PRO 73 8.643 24.791 5.021 603 2HD PRO 73 2HD PRO 73 7.446 23.542 4.743 604 H LYS 74 H LYS 74 8.470 27.079 5.214 605 HA LYS 74 HA LYS 74 8.961 29.349 3.917 606 1HB LYS 74 1HB LYS 74 6.914 29.876 5.963 607 2HB LYS 74 2HB LYS 74 8.305 30.935 6.075 608 1HG LYS 74 1HG LYS 74 7.337 30.486 3.295 609 2HG LYS 74 2HG LYS 74 6.181 31.294 4.334 610 1HD LYS 74 1HD LYS 74 8.682 32.527 4.900 611 2HD LYS 74 2HD LYS 74 8.643 32.342 3.157 612 1HE LYS 74 2HE LYS 74 7.624 34.485 3.706 613 2HE LYS 74 3HE LYS 74 6.359 33.421 3.126 614 1HZ LYS 74 1HZ LYS 74 6.809 34.427 5.786 615 2HZ LYS 74 2HZ LYS 74 5.405 34.109 5.016 616 3HZ LYS 74 3HZ LYS 74 6.258 32.892 5.690 617 H LEU 75 H LEU 75 10.751 30.674 4.957 618 HA LEU 75 HA LEU 75 12.529 30.895 6.285 619 1HB LEU 75 1HB LEU 75 10.827 29.867 8.053 620 2HB LEU 75 2HB LEU 75 11.925 28.504 7.955 621 HG LEU 75 HG LEU 75 13.308 31.074 8.294 622 1HD1 LEU 75 1HD1 LEU 75 11.471 31.778 9.597 623 2HD1 LEU 75 2HD1 LEU 75 11.281 30.174 10.347 624 3HD1 LEU 75 3HD1 LEU 75 12.687 31.187 10.755 625 1HD2 LEU 75 1HD2 LEU 75 13.710 28.318 8.848 626 2HD2 LEU 75 2HD2 LEU 75 14.845 29.673 9.057 627 3HD2 LEU 75 3HD2 LEU 75 13.776 29.193 10.396 628 H LYS 76 H LYS 76 14.186 30.479 4.909 629 HA LYS 76 HA LYS 76 14.530 28.096 3.542 630 1HB LYS 76 1HB LYS 76 16.071 30.571 4.019 631 2HB LYS 76 2HB LYS 76 17.047 29.169 3.627 632 1HG LYS 76 1HG LYS 76 15.072 28.864 1.765 633 2HG LYS 76 2HG LYS 76 15.022 30.606 1.947 634 1HD LYS 76 1HD LYS 76 16.911 30.836 0.715 635 2HD LYS 76 2HD LYS 76 17.796 29.792 1.809 636 1HE LYS 76 2HE LYS 76 16.986 27.782 0.601 637 2HE LYS 76 3HE LYS 76 16.001 28.781 -0.449 638 1HZ LYS 76 1HZ LYS 76 18.857 29.312 -0.261 639 2HZ LYS 76 2HZ LYS 76 18.335 28.070 -1.185 640 3HZ LYS 76 3HZ LYS 76 17.838 29.592 -1.505 Start of MODEL 16 1 H MET 1 H MET 1 34.876 -0.284 2.427 2 HA MET 1 HA MET 1 33.339 1.656 3.875 3 1HB MET 1 1HB MET 1 34.824 2.934 2.208 4 2HB MET 1 2HB MET 1 34.021 2.070 0.912 5 1HG MET 1 1HG MET 1 32.154 3.385 1.038 6 2HG MET 1 2HG MET 1 32.093 3.288 2.786 7 1HE MET 1 1HE MET 1 32.492 6.836 3.431 8 2HE MET 1 2HE MET 1 31.472 5.378 3.395 9 3HE MET 1 3HE MET 1 32.957 5.401 4.376 10 H LEU 2 H LEU 2 31.847 -0.070 4.221 11 HA LEU 2 HA LEU 2 30.152 -0.561 1.934 12 1HB LEU 2 1HB LEU 2 31.957 -2.592 3.080 13 2HB LEU 2 2HB LEU 2 30.291 -3.101 2.898 14 HG LEU 2 HG LEU 2 31.810 -1.849 0.610 15 1HD1 LEU 2 1HD1 LEU 2 31.945 -4.451 -0.025 16 2HD1 LEU 2 2HD1 LEU 2 33.244 -3.587 0.830 17 3HD1 LEU 2 3HD1 LEU 2 32.085 -4.581 1.745 18 1HD2 LEU 2 1HD2 LEU 2 29.499 -1.899 0.169 19 2HD2 LEU 2 2HD2 LEU 2 30.176 -3.301 -0.692 20 3HD2 LEU 2 3HD2 LEU 2 29.316 -3.533 0.849 21 H LYS 3 H LYS 3 28.216 -2.062 2.810 22 HA LYS 3 HA LYS 3 27.483 -0.849 5.375 23 1HB LYS 3 1HB LYS 3 25.810 -1.792 3.034 24 2HB LYS 3 2HB LYS 3 25.128 -1.361 4.590 25 1HG LYS 3 1HG LYS 3 26.982 0.719 3.756 26 2HG LYS 3 2HG LYS 3 25.861 0.395 2.449 27 1HD LYS 3 1HD LYS 3 24.189 0.400 4.689 28 2HD LYS 3 2HD LYS 3 25.362 1.637 5.093 29 1HE LYS 3 2HE LYS 3 24.852 2.929 3.137 30 2HE LYS 3 3HE LYS 3 24.043 1.587 2.353 31 1HZ LYS 3 1HZ LYS 3 22.782 2.053 4.775 32 2HZ LYS 3 2HZ LYS 3 22.937 3.495 4.024 33 3HZ LYS 3 3HZ LYS 3 22.180 2.259 3.271 34 H ASN 4 H ASN 4 28.025 -2.223 7.006 35 HA ASN 4 HA ASN 4 28.228 -4.961 6.657 36 1HB ASN 4 1HB ASN 4 28.375 -3.011 8.877 37 2HB ASN 4 2HB ASN 4 27.712 -4.546 9.404 38 1HD2 ASN 4 1HD2 ASN 4 28.944 -6.370 9.429 39 2HD2 ASN 4 2HD2 ASN 4 30.657 -6.396 9.174 40 H LEU 5 H LEU 5 26.788 -6.687 7.480 41 HA LEU 5 HA LEU 5 24.182 -6.513 6.842 42 1HB LEU 5 1HB LEU 5 25.825 -8.265 8.543 43 2HB LEU 5 2HB LEU 5 24.109 -8.314 8.891 44 HG LEU 5 HG LEU 5 25.108 -8.626 6.066 45 1HD1 LEU 5 1HD1 LEU 5 25.382 -10.959 6.297 46 2HD1 LEU 5 2HD1 LEU 5 26.299 -10.226 7.635 47 3HD1 LEU 5 3HD1 LEU 5 24.707 -10.958 7.944 48 1HD2 LEU 5 1HD2 LEU 5 22.999 -10.085 5.999 49 2HD2 LEU 5 2HD2 LEU 5 22.582 -9.327 7.554 50 3HD2 LEU 5 3HD2 LEU 5 22.789 -8.321 6.101 51 H ALA 6 H ALA 6 22.183 -6.569 8.261 52 HA ALA 6 HA ALA 6 22.504 -4.845 10.608 53 1HB ALA 6 1HB ALA 6 21.848 -3.583 8.459 54 2HB ALA 6 2HB ALA 6 20.297 -4.451 8.565 55 3HB ALA 6 3HB ALA 6 20.799 -3.362 9.880 56 H LYS 7 H LYS 7 20.044 -6.662 8.630 57 HA LYS 7 HA LYS 7 19.579 -8.583 10.581 58 1HB LYS 7 1HB LYS 7 18.654 -6.317 11.625 59 2HB LYS 7 2HB LYS 7 17.263 -6.688 10.626 60 1HG LYS 7 1HG LYS 7 16.615 -8.409 11.974 61 2HG LYS 7 2HG LYS 7 18.233 -9.078 12.041 62 1HD LYS 7 1HD LYS 7 18.220 -8.403 14.222 63 2HD LYS 7 2HD LYS 7 18.549 -6.806 13.581 64 1HE LYS 7 2HE LYS 7 16.428 -6.038 14.035 65 2HE LYS 7 3HE LYS 7 15.667 -7.539 13.548 66 1HZ LYS 7 1HZ LYS 7 15.917 -6.756 16.060 67 2HZ LYS 7 2HZ LYS 7 15.764 -8.321 15.620 68 3HZ LYS 7 3HZ LYS 7 17.241 -7.704 15.939 69 H LEU 8 H LEU 8 17.932 -6.467 8.141 70 HA LEU 8 HA LEU 8 17.099 -7.018 6.149 71 1HB LEU 8 1HB LEU 8 18.822 -9.092 6.543 72 2HB LEU 8 2HB LEU 8 17.299 -9.947 6.400 73 HG LEU 8 HG LEU 8 18.418 -9.819 4.252 74 1HD1 LEU 8 1HD1 LEU 8 15.760 -9.082 4.754 75 2HD1 LEU 8 2HD1 LEU 8 16.338 -7.959 3.501 76 3HD1 LEU 8 3HD1 LEU 8 16.446 -9.717 3.240 77 1HD2 LEU 8 1HD2 LEU 8 18.247 -6.806 4.523 78 2HD2 LEU 8 2HD2 LEU 8 19.729 -7.785 4.635 79 3HD2 LEU 8 3HD2 LEU 8 18.827 -7.707 3.102 80 H ASP 9 H ASP 9 15.240 -6.174 7.490 81 HA ASP 9 HA ASP 9 12.966 -7.349 6.944 82 1HB ASP 9 1HB ASP 9 12.349 -8.407 9.277 83 2HB ASP 9 2HB ASP 9 13.211 -9.373 8.096 84 H GLN 10 H GLN 10 13.589 -4.774 7.160 85 HA GLN 10 HA GLN 10 12.491 -3.921 9.728 86 1HB GLN 10 1HB GLN 10 14.951 -3.309 9.114 87 2HB GLN 10 2HB GLN 10 14.252 -2.189 7.961 88 1HG GLN 10 1HG GLN 10 13.470 -0.763 9.602 89 2HG GLN 10 2HG GLN 10 13.073 -2.067 10.701 90 1HE2 GLN 10 1HE2 GLN 10 14.498 0.450 11.139 91 2HE2 GLN 10 2HE2 GLN 10 16.045 0.054 11.810 92 H THR 11 H THR 11 11.384 -4.637 6.856 93 HA THR 11 HA THR 11 10.347 -2.163 5.883 94 HB THR 11 HB THR 11 9.758 -5.118 5.347 95 HG1 THR 11 1HG THR 11 11.853 -4.156 4.721 96 1HG2 THR 11 1HG2 THR 11 9.107 -3.314 3.166 97 2HG2 THR 11 2HG2 THR 11 8.046 -4.496 3.968 98 3HG2 THR 11 3HG2 THR 11 8.170 -2.838 4.603 99 H GLU 12 H GLU 12 9.227 -4.687 8.146 100 HA GLU 12 HA GLU 12 6.577 -3.894 8.190 101 1HB GLU 12 1HB GLU 12 7.714 -6.007 9.182 102 2HB GLU 12 2HB GLU 12 8.077 -5.018 10.583 103 1HG GLU 12 1HG GLU 12 5.531 -4.418 10.585 104 2HG GLU 12 2HG GLU 12 5.341 -5.770 9.485 105 H MET 13 H MET 13 9.487 -2.466 9.556 106 HA MET 13 HA MET 13 8.330 -1.083 11.659 107 1HB MET 13 1HB MET 13 10.864 -1.237 10.252 108 2HB MET 13 2HB MET 13 10.467 0.459 10.436 109 1HG MET 13 1HG MET 13 10.397 -1.540 12.746 110 2HG MET 13 2HG MET 13 11.792 -0.548 12.373 111 1HE MET 13 1HE MET 13 12.334 1.131 13.291 112 2HE MET 13 2HE MET 13 11.432 2.650 13.075 113 3HE MET 13 3HE MET 13 11.497 1.874 14.675 114 H ASP 14 H ASP 14 8.551 -0.393 8.156 115 HA ASP 14 HA ASP 14 7.693 2.286 8.466 116 1HB ASP 14 1HB ASP 14 9.064 1.333 6.530 117 2HB ASP 14 2HB ASP 14 7.613 0.522 5.975 118 H LYS 15 H LYS 15 6.251 -0.934 8.005 119 HA LYS 15 HA LYS 15 3.702 0.058 7.163 120 1HB LYS 15 1HB LYS 15 4.999 -2.560 7.588 121 2HB LYS 15 2HB LYS 15 3.286 -2.531 7.953 122 1HG LYS 15 1HG LYS 15 3.815 -3.085 5.538 123 2HG LYS 15 2HG LYS 15 2.727 -1.725 5.735 124 1HD LYS 15 1HD LYS 15 5.612 -0.985 5.703 125 2HD LYS 15 2HD LYS 15 5.036 -1.692 4.206 126 1HE LYS 15 2HE LYS 15 3.828 0.167 3.671 127 2HE LYS 15 3HE LYS 15 3.114 0.264 5.268 128 1HZ LYS 15 1HZ LYS 15 5.868 0.941 5.273 129 2HZ LYS 15 2HZ LYS 15 5.001 1.914 4.288 130 3HZ LYS 15 3HZ LYS 15 4.594 1.775 5.864 131 H VAL 16 H VAL 16 5.281 -0.956 10.218 132 HA VAL 16 HA VAL 16 2.934 -0.988 11.758 133 HB VAL 16 HB VAL 16 5.705 -1.448 12.072 134 1HG1 VAL 16 1HG1 VAL 16 5.890 0.837 12.980 135 2HG1 VAL 16 2HG1 VAL 16 4.633 0.456 14.182 136 3HG1 VAL 16 3HG1 VAL 16 6.195 -0.396 14.227 137 1HG2 VAL 16 1HG2 VAL 16 4.670 -2.191 14.453 138 2HG2 VAL 16 2HG2 VAL 16 3.169 -2.024 13.511 139 3HG2 VAL 16 3HG2 VAL 16 4.453 -3.125 12.954 140 H ASN 17 H ASN 17 4.550 1.562 10.159 141 HA ASN 17 HA ASN 17 3.730 3.496 12.144 142 1HB ASN 17 1HB ASN 17 5.919 3.958 11.255 143 2HB ASN 17 2HB ASN 17 5.420 3.612 9.610 144 1HD2 ASN 17 1HD2 ASN 17 4.275 5.106 8.423 145 2HD2 ASN 17 2HD2 ASN 17 4.120 6.771 8.870 146 H VAL 18 H VAL 18 3.492 2.897 8.549 147 HA VAL 18 HA VAL 18 1.536 4.799 8.045 148 HB VAL 18 HB VAL 18 2.424 2.265 6.692 149 1HG1 VAL 18 1HG1 VAL 18 0.023 2.532 6.200 150 2HG1 VAL 18 2HG1 VAL 18 0.326 4.197 5.646 151 3HG1 VAL 18 3HG1 VAL 18 1.029 2.821 4.761 152 1HG2 VAL 18 1HG2 VAL 18 3.951 3.608 5.779 153 2HG2 VAL 18 2HG2 VAL 18 2.664 4.639 5.107 154 3HG2 VAL 18 3HG2 VAL 18 3.316 4.972 6.731 155 H ASP 19 H ASP 19 1.379 1.845 9.824 156 HA ASP 19 HA ASP 19 -1.132 0.955 9.215 157 1HB ASP 19 1HB ASP 19 0.371 -0.308 10.661 158 2HB ASP 19 2HB ASP 19 0.417 0.988 11.840 159 H LEU 20 H LEU 20 -0.077 3.911 10.703 160 HA LEU 20 HA LEU 20 -2.658 4.317 12.017 161 1HB LEU 20 1HB LEU 20 0.012 4.945 12.696 162 2HB LEU 20 2HB LEU 20 -0.788 6.469 12.365 163 HG LEU 20 HG LEU 20 -0.933 5.979 14.715 164 1HD1 LEU 20 1HD1 LEU 20 -3.658 5.491 14.614 165 2HD1 LEU 20 2HD1 LEU 20 -2.860 7.079 14.520 166 3HD1 LEU 20 3HD1 LEU 20 -3.300 6.215 13.028 167 1HD2 LEU 20 1HD2 LEU 20 -0.750 3.766 15.162 168 2HD2 LEU 20 2HD2 LEU 20 -2.524 3.889 15.245 169 3HD2 LEU 20 3HD2 LEU 20 -1.742 3.282 13.765 170 H ALA 21 H ALA 21 -1.233 4.680 9.012 171 HA ALA 21 HA ALA 21 -1.635 7.221 8.182 172 1HB ALA 21 1HB ALA 21 -2.207 6.146 5.955 173 2HB ALA 21 2HB ALA 21 -0.723 5.536 6.726 174 3HB ALA 21 3HB ALA 21 -2.220 4.578 6.797 175 H ALA 22 H ALA 22 -4.127 5.020 6.933 176 HA ALA 22 HA ALA 22 -6.245 6.097 8.479 177 1HB ALA 22 1HB ALA 22 -5.878 8.100 7.176 178 2HB ALA 22 2HB ALA 22 -5.799 7.163 5.664 179 3HB ALA 22 3HB ALA 22 -7.339 7.300 6.548 180 H ALA 23 H ALA 23 -6.293 3.695 8.644 181 HA ALA 23 HA ALA 23 -6.855 1.640 7.953 182 1HB ALA 23 1HB ALA 23 -9.116 1.607 7.939 183 2HB ALA 23 2HB ALA 23 -9.012 3.381 8.025 184 3HB ALA 23 3HB ALA 23 -9.207 2.578 6.449 185 H GLY 24 H GLY 24 -8.483 0.960 5.554 186 1HA GLY 24 1HA GLY 24 -6.662 1.663 3.359 187 2HA GLY 24 2HA GLY 24 -6.853 -0.025 3.789 188 H VAL 25 H VAL 25 -8.892 2.916 3.136 189 HA VAL 25 HA VAL 25 -10.700 1.134 1.653 190 HB VAL 25 HB VAL 25 -11.742 3.665 2.779 191 1HG1 VAL 25 1HG1 VAL 25 -13.764 2.522 2.846 192 2HG1 VAL 25 2HG1 VAL 25 -12.957 1.771 1.449 193 3HG1 VAL 25 3HG1 VAL 25 -12.983 0.932 3.019 194 1HG2 VAL 25 1HG2 VAL 25 -10.335 2.830 4.637 195 2HG2 VAL 25 2HG2 VAL 25 -12.072 2.763 5.016 196 3HG2 VAL 25 3HG2 VAL 25 -11.200 1.276 4.574 197 H ALA 26 H ALA 26 -9.144 4.364 1.959 198 HA ALA 26 HA ALA 26 -10.177 5.597 -0.249 199 1HB ALA 26 1HB ALA 26 -7.914 5.864 1.532 200 2HB ALA 26 2HB ALA 26 -7.411 6.232 -0.135 201 3HB ALA 26 3HB ALA 26 -8.765 7.121 0.604 202 H PHE 27 H PHE 27 -6.927 3.968 -0.250 203 HA PHE 27 HA PHE 27 -7.330 3.461 -3.092 204 1HB PHE 27 1HB PHE 27 -5.236 4.493 -1.654 205 2HB PHE 27 2HB PHE 27 -4.827 2.794 -1.507 206 HD1 PHE 27 1HD PHE 27 -3.744 5.431 -3.148 207 HD2 PHE 27 2HD PHE 27 -5.511 1.696 -4.111 208 HE1 PHE 27 1HE PHE 27 -2.652 5.498 -5.407 209 HE2 PHE 27 2HE PHE 27 -4.420 1.762 -6.370 210 HZ PHE 27 HZ PHE 27 -3.004 3.663 -6.991 211 H LYS 28 H LYS 28 -8.998 1.848 -1.590 212 HA LYS 28 HA LYS 28 -7.637 -0.737 -1.836 213 1HB LYS 28 1HB LYS 28 -7.769 -0.201 0.538 214 2HB LYS 28 2HB LYS 28 -9.485 0.128 0.407 215 1HG LYS 28 1HG LYS 28 -9.057 -2.161 1.292 216 2HG LYS 28 2HG LYS 28 -9.940 -2.211 -0.220 217 1HD LYS 28 1HD LYS 28 -7.047 -2.218 -0.706 218 2HD LYS 28 2HD LYS 28 -7.498 -3.524 0.373 219 1HE LYS 28 2HE LYS 28 -8.095 -4.676 -1.499 220 2HE LYS 28 3HE LYS 28 -9.510 -3.644 -1.552 221 1HZ LYS 28 1HZ LYS 28 -7.754 -3.786 -3.500 222 2HZ LYS 28 2HZ LYS 28 -8.651 -2.450 -3.221 223 3HZ LYS 28 3HZ LYS 28 -7.112 -2.527 -2.682 224 H GLU 29 H GLU 29 -9.770 1.302 -3.203 225 HA GLU 29 HA GLU 29 -12.032 -0.389 -3.396 226 1HB GLU 29 1HB GLU 29 -12.348 1.359 -5.465 227 2HB GLU 29 2HB GLU 29 -12.757 1.739 -3.804 228 1HG GLU 29 1HG GLU 29 -10.689 2.910 -3.442 229 2HG GLU 29 2HG GLU 29 -9.953 2.229 -4.879 230 H ARG 30 H ARG 30 -8.978 -0.871 -4.490 231 HA ARG 30 HA ARG 30 -9.106 -1.264 -7.158 232 1HB ARG 30 1HB ARG 30 -7.394 -2.045 -4.981 233 2HB ARG 30 2HB ARG 30 -7.655 -3.479 -5.955 234 1HG ARG 30 1HG ARG 30 -7.166 -1.084 -7.611 235 2HG ARG 30 2HG ARG 30 -5.842 -1.406 -6.510 236 1HD ARG 30 1HD ARG 30 -5.418 -3.556 -7.434 237 2HD ARG 30 2HD ARG 30 -7.023 -3.686 -8.124 238 HE ARG 30 HE ARG 30 -5.614 -1.435 -9.271 239 1HH1 ARG 30 1HH1 ARG 30 -4.668 -3.122 -12.176 240 2HH1 ARG 30 2HH1 ARG 30 -4.841 -1.575 -11.417 241 1HH2 ARG 30 1HH2 ARG 30 -5.222 -5.053 -11.013 242 2HH2 ARG 30 2HH2 ARG 30 -5.808 -4.946 -9.386 243 H TYR 31 H TYR 31 -10.767 -2.989 -4.607 244 HA TYR 31 HA TYR 31 -11.428 -5.170 -6.463 245 1HB TYR 31 1HB TYR 31 -11.501 -6.477 -4.497 246 2HB TYR 31 2HB TYR 31 -10.426 -5.225 -3.907 247 HD1 TYR 31 1HD TYR 31 -11.285 -3.430 -2.418 248 HD2 TYR 31 2HD TYR 31 -13.766 -6.681 -3.674 249 HE1 TYR 31 1HE TYR 31 -12.941 -2.892 -0.565 250 HE2 TYR 31 2HE TYR 31 -15.413 -6.133 -1.818 251 HH TYR 31 HH TYR 31 -15.802 -3.549 -0.462 252 H ASN 32 H ASN 32 -12.566 -2.334 -6.386 253 HA ASN 32 HA ASN 32 -14.505 -1.412 -6.697 254 1HB ASN 32 1HB ASN 32 -15.237 -3.306 -8.040 255 2HB ASN 32 2HB ASN 32 -15.489 -4.304 -6.623 256 1HD2 ASN 32 1HD2 ASN 32 -16.491 -1.189 -8.022 257 2HD2 ASN 32 2HD2 ASN 32 -18.159 -1.264 -7.559 258 H MET 33 H MET 33 -13.818 -0.808 -4.293 259 HA MET 33 HA MET 33 -15.431 -2.047 -2.285 260 1HB MET 33 1HB MET 33 -13.165 -1.334 -1.693 261 2HB MET 33 2HB MET 33 -13.435 0.275 -2.334 262 1HG MET 33 1HG MET 33 -13.662 0.567 0.014 263 2HG MET 33 2HG MET 33 -15.320 0.490 -0.548 264 1HE MET 33 1HE MET 33 -15.852 -0.813 2.578 265 2HE MET 33 2HE MET 33 -16.429 0.047 1.129 266 3HE MET 33 3HE MET 33 -16.930 -1.637 1.424 267 HA PRO 34 HA PRO 34 -18.674 0.841 -2.810 268 1HB PRO 34 1HB PRO 34 -20.345 -0.117 -0.871 269 2HB PRO 34 2HB PRO 34 -20.278 -0.779 -2.492 270 1HG PRO 34 1HG PRO 34 -19.189 -1.902 0.015 271 2HG PRO 34 2HG PRO 34 -19.510 -2.716 -1.504 272 1HD PRO 34 1HD PRO 34 -16.949 -1.898 -0.502 273 2HD PRO 34 2HD PRO 34 -17.284 -2.606 -2.070 274 H VAL 35 H VAL 35 -20.176 2.264 -1.308 275 HA VAL 35 HA VAL 35 -18.332 3.925 0.037 276 HB VAL 35 HB VAL 35 -20.345 5.196 0.651 277 1HG1 VAL 35 1HG1 VAL 35 -19.202 5.074 -1.743 278 2HG1 VAL 35 2HG1 VAL 35 -20.798 4.438 -2.211 279 3HG1 VAL 35 3HG1 VAL 35 -20.666 6.045 -1.459 280 1HG2 VAL 35 1HG2 VAL 35 -22.214 3.573 -0.930 281 2HG2 VAL 35 2HG2 VAL 35 -21.657 2.767 0.557 282 3HG2 VAL 35 3HG2 VAL 35 -22.433 4.367 0.648 283 H ILE 36 H ILE 36 -17.589 1.769 1.268 284 HA ILE 36 HA ILE 36 -18.714 2.071 3.926 285 HB ILE 36 HB ILE 36 -18.786 -0.454 2.316 286 1HG1 ILE 36 1HG1 ILE 36 -20.766 0.742 4.274 287 2HG1 ILE 36 2HG1 ILE 36 -20.787 1.047 2.549 288 1HG2 ILE 36 1HG2 ILE 36 -17.418 -0.888 4.356 289 2HG2 ILE 36 2HG2 ILE 36 -18.807 -0.375 5.344 290 3HG2 ILE 36 3HG2 ILE 36 -18.943 -1.804 4.293 291 1HD1 ILE 36 1HD1 ILE 36 -22.251 -0.760 2.665 292 2HD1 ILE 36 2HD1 ILE 36 -20.718 -1.624 2.397 293 3HD1 ILE 36 3HD1 ILE 36 -21.396 -1.500 4.040 294 H ALA 37 H ALA 37 -17.256 1.030 5.591 295 HA ALA 37 HA ALA 37 -14.498 0.972 4.571 296 1HB ALA 37 1HB ALA 37 -15.052 1.823 7.381 297 2HB ALA 37 2HB ALA 37 -13.817 2.396 6.235 298 3HB ALA 37 3HB ALA 37 -15.496 2.965 6.090 299 H GLU 38 H GLU 38 -17.094 -0.600 6.242 300 HA GLU 38 HA GLU 38 -15.295 -2.327 7.681 301 1HB GLU 38 1HB GLU 38 -17.518 -1.441 8.612 302 2HB GLU 38 2HB GLU 38 -18.328 -2.523 7.497 303 1HG GLU 38 1HG GLU 38 -18.167 -4.072 9.165 304 2HG GLU 38 2HG GLU 38 -16.498 -4.241 8.656 305 H ALA 39 H ALA 39 -16.189 -2.066 4.525 306 HA ALA 39 HA ALA 39 -16.506 -4.960 4.157 307 1HB ALA 39 1HB ALA 39 -18.149 -4.314 2.765 308 2HB ALA 39 2HB ALA 39 -17.703 -2.601 2.954 309 3HB ALA 39 3HB ALA 39 -16.903 -3.598 1.715 310 H VAL 40 H VAL 40 -14.275 -2.341 4.038 311 HA VAL 40 HA VAL 40 -12.728 -3.323 1.845 312 HB VAL 40 HB VAL 40 -12.883 -1.005 3.487 313 1HG1 VAL 40 1HG1 VAL 40 -11.011 -2.114 4.757 314 2HG1 VAL 40 2HG1 VAL 40 -10.040 -2.040 3.267 315 3HG1 VAL 40 3HG1 VAL 40 -10.599 -0.537 4.041 316 1HG2 VAL 40 1HG2 VAL 40 -10.852 -0.757 1.486 317 2HG2 VAL 40 2HG2 VAL 40 -12.159 -1.777 0.839 318 3HG2 VAL 40 3HG2 VAL 40 -12.525 -0.150 1.461 319 H GLU 41 H GLU 41 -12.782 -3.670 5.411 320 HA GLU 41 HA GLU 41 -10.320 -5.128 5.351 321 1HB GLU 41 1HB GLU 41 -11.973 -3.815 7.349 322 2HB GLU 41 2HB GLU 41 -11.613 -5.449 7.873 323 1HG GLU 41 1HG GLU 41 -9.243 -5.089 7.761 324 2HG GLU 41 2HG GLU 41 -9.419 -3.648 6.782 325 H ARG 42 H ARG 42 -13.839 -5.743 5.582 326 HA ARG 42 HA ARG 42 -13.667 -8.381 6.364 327 1HB ARG 42 1HB ARG 42 -15.978 -8.457 5.947 328 2HB ARG 42 2HB ARG 42 -15.727 -6.729 6.099 329 1HG ARG 42 1HG ARG 42 -15.486 -6.574 3.592 330 2HG ARG 42 2HG ARG 42 -15.821 -8.289 3.473 331 1HD ARG 42 1HD ARG 42 -17.788 -6.583 5.000 332 2HD ARG 42 2HD ARG 42 -17.777 -6.447 3.253 333 HE ARG 42 HE ARG 42 -17.780 -9.229 4.083 334 1HH1 ARG 42 1HH1 ARG 42 -21.192 -9.677 3.504 335 2HH1 ARG 42 2HH1 ARG 42 -19.677 -10.468 3.783 336 1HH2 ARG 42 1HH2 ARG 42 -21.296 -7.359 3.435 337 2HH2 ARG 42 2HH2 ARG 42 -19.858 -6.420 3.663 338 H GLU 43 H GLU 43 -13.331 -6.770 3.200 339 HA GLU 43 HA GLU 43 -13.430 -9.280 1.813 340 1HB GLU 43 1HB GLU 43 -12.914 -6.429 0.865 341 2HB GLU 43 2HB GLU 43 -12.962 -7.814 -0.208 342 1HG GLU 43 1HG GLU 43 -15.280 -7.312 1.681 343 2HG GLU 43 2HG GLU 43 -15.154 -6.376 0.204 344 H GLN 44 H GLN 44 -11.044 -6.580 1.437 345 HA GLN 44 HA GLN 44 -8.918 -8.185 2.380 346 1HB GLN 44 1HB GLN 44 -9.622 -8.658 -0.286 347 2HB GLN 44 2HB GLN 44 -8.306 -7.509 -0.426 348 1HG GLN 44 1HG GLN 44 -6.794 -8.929 0.811 349 2HG GLN 44 2HG GLN 44 -8.096 -9.957 1.373 350 1HE2 GLN 44 1HE2 GLN 44 -7.054 -11.773 0.556 351 2HE2 GLN 44 2HE2 GLN 44 -7.044 -12.173 -1.129 352 HA PRO 45 HA PRO 45 -8.067 -3.835 2.719 353 1HB PRO 45 1HB PRO 45 -6.700 -3.971 5.081 354 2HB PRO 45 2HB PRO 45 -8.437 -3.749 4.990 355 1HG PRO 45 1HG PRO 45 -6.914 -6.178 5.712 356 2HG PRO 45 2HG PRO 45 -8.599 -5.807 6.018 357 1HD PRO 45 1HD PRO 45 -7.569 -7.566 4.001 358 2HD PRO 45 2HD PRO 45 -9.243 -7.105 4.233 359 H GLU 46 H GLU 46 -6.504 -2.661 1.774 360 HA GLU 46 HA GLU 46 -4.380 -4.058 0.698 361 1HB GLU 46 1HB GLU 46 -3.476 -1.750 0.167 362 2HB GLU 46 2HB GLU 46 -5.129 -2.022 -0.347 363 1HG GLU 46 1HG GLU 46 -5.564 -0.058 0.744 364 2HG GLU 46 2HG GLU 46 -5.571 -1.056 2.186 365 H HIS 47 H HIS 47 -4.597 -1.908 3.600 366 HA HIS 47 HA HIS 47 -1.931 -1.848 4.236 367 1HB HIS 47 1HB HIS 47 -2.593 -1.086 6.355 368 2HB HIS 47 2HB HIS 47 -3.847 -0.548 5.256 369 HD1 HIS 47 1HD HIS 47 -6.167 -1.892 5.337 370 HD2 HIS 47 2HD HIS 47 -3.439 -2.779 8.397 371 HE1 HIS 47 1HE HIS 47 -7.494 -3.107 7.146 372 H LEU 48 H LEU 48 -4.113 -4.539 4.186 373 HA LEU 48 HA LEU 48 -2.594 -6.046 6.133 374 1HB LEU 48 1HB LEU 48 -5.187 -6.241 4.793 375 2HB LEU 48 2HB LEU 48 -4.345 -7.775 4.886 376 HG LEU 48 HG LEU 48 -5.788 -7.592 6.781 377 1HD1 LEU 48 1HD1 LEU 48 -3.216 -8.294 6.982 378 2HD1 LEU 48 2HD1 LEU 48 -3.224 -6.944 8.142 379 3HD1 LEU 48 3HD1 LEU 48 -4.336 -8.315 8.366 380 1HD2 LEU 48 1HD2 LEU 48 -4.519 -5.277 8.076 381 2HD2 LEU 48 2HD2 LEU 48 -5.437 -4.885 6.602 382 3HD2 LEU 48 3HD2 LEU 48 -6.234 -5.734 7.948 383 H ARG 49 H ARG 49 -3.462 -6.380 2.616 384 HA ARG 49 HA ARG 49 -1.830 -8.453 2.071 385 1HB ARG 49 1HB ARG 49 -2.174 -7.924 -0.204 386 2HB ARG 49 2HB ARG 49 -3.509 -7.088 0.562 387 1HG ARG 49 1HG ARG 49 -1.928 -5.022 0.685 388 2HG ARG 49 2HG ARG 49 -0.886 -5.894 -0.421 389 1HD ARG 49 1HD ARG 49 -3.774 -5.037 -0.913 390 2HD ARG 49 2HD ARG 49 -2.344 -4.455 -1.742 391 HE ARG 49 HE ARG 49 -2.789 -7.365 -1.935 392 1HH1 ARG 49 1HH1 ARG 49 -3.485 -7.153 -5.348 393 2HH1 ARG 49 2HH1 ARG 49 -3.152 -8.219 -4.023 394 1HH2 ARG 49 1HH2 ARG 49 -3.563 -4.860 -5.001 395 2HH2 ARG 49 2HH2 ARG 49 -3.288 -4.214 -3.418 396 H SER 50 H SER 50 -1.034 -4.969 2.380 397 HA SER 50 HA SER 50 1.585 -5.287 1.363 398 1HB SER 50 1HB SER 50 0.764 -3.104 1.121 399 2HB SER 50 2HB SER 50 0.026 -3.087 2.711 400 HG SER 50 HG SER 50 2.157 -2.947 3.658 401 H TRP 51 H TRP 51 0.019 -5.211 4.600 402 HA TRP 51 HA TRP 51 2.499 -5.242 6.014 403 1HB TRP 51 1HB TRP 51 -0.398 -5.428 6.711 404 2HB TRP 51 2HB TRP 51 0.779 -5.995 7.879 405 HD1 TRP 51 HD TRP 51 1.305 -4.102 9.586 406 HE1 TRP 51 1HE TRP 51 1.566 -1.477 9.627 407 HE3 TRP 51 3HE TRP 51 0.313 -3.403 4.649 408 HZ2 TRP 51 2HZ TRP 51 1.334 0.553 7.634 409 HZ3 TRP 51 3HZ TRP 51 0.350 -1.068 3.776 410 HH2 TRP 51 HH TRP 51 0.838 0.871 5.181 411 H PHE 52 H PHE 52 0.753 -7.490 4.122 412 HA PHE 52 HA PHE 52 1.705 -9.761 5.691 413 1HB PHE 52 1HB PHE 52 -0.442 -9.111 3.696 414 2HB PHE 52 2HB PHE 52 0.299 -10.679 3.442 415 HD1 PHE 52 1HD PHE 52 -0.864 -8.709 6.405 416 HD2 PHE 52 2HD PHE 52 -0.878 -12.423 4.353 417 HE1 PHE 52 1HE PHE 52 -2.328 -9.691 8.193 418 HE2 PHE 52 2HE PHE 52 -2.342 -13.405 6.140 419 HZ PHE 52 HZ PHE 52 -3.049 -12.027 8.039 420 H ARG 53 H ARG 53 1.902 -8.207 2.443 421 HA ARG 53 HA ARG 53 3.876 -10.186 1.710 422 1HB ARG 53 1HB ARG 53 2.301 -9.836 -0.054 423 2HB ARG 53 2HB ARG 53 2.277 -8.100 0.183 424 1HG ARG 53 1HG ARG 53 4.462 -7.825 -0.799 425 2HG ARG 53 2HG ARG 53 4.808 -9.541 -0.704 426 1HD ARG 53 1HD ARG 53 3.566 -10.044 -2.598 427 2HD ARG 53 2HD ARG 53 2.367 -8.808 -2.277 428 HE ARG 53 HE ARG 53 4.534 -7.269 -2.875 429 1HH1 ARG 53 1HH1 ARG 53 4.906 -7.619 -6.327 430 2HH1 ARG 53 2HH1 ARG 53 5.247 -6.627 -4.949 431 1HH2 ARG 53 1HH2 ARG 53 3.726 -9.601 -6.066 432 2HH2 ARG 53 2HH2 ARG 53 3.186 -10.087 -4.494 433 H GLU 54 H GLU 54 3.782 -7.295 3.363 434 HA GLU 54 HA GLU 54 5.383 -5.495 2.354 435 1HB GLU 54 1HB GLU 54 6.470 -5.427 4.780 436 2HB GLU 54 2HB GLU 54 4.778 -5.033 4.545 437 1HG GLU 54 1HG GLU 54 4.079 -6.846 5.737 438 2HG GLU 54 2HG GLU 54 5.157 -7.928 4.879 439 H ARG 55 H ARG 55 7.204 -7.517 4.673 440 HA ARG 55 HA ARG 55 9.412 -7.846 4.564 441 1HB ARG 55 1HB ARG 55 7.841 -9.912 3.640 442 2HB ARG 55 2HB ARG 55 8.958 -9.752 2.298 443 1HG ARG 55 1HG ARG 55 10.780 -10.454 3.542 444 2HG ARG 55 2HG ARG 55 10.207 -9.700 5.016 445 1HD ARG 55 1HD ARG 55 9.449 -11.716 5.731 446 2HD ARG 55 2HD ARG 55 8.309 -11.747 4.401 447 HE ARG 55 HE ARG 55 11.001 -12.526 3.576 448 1HH1 ARG 55 1HH1 ARG 55 10.196 -15.916 3.394 449 2HH1 ARG 55 2HH1 ARG 55 11.356 -14.701 2.975 450 1HH2 ARG 55 1HH2 ARG 55 8.280 -15.335 4.566 451 2HH2 ARG 55 2HH2 ARG 55 8.010 -13.685 5.022 452 H LEU 56 H LEU 56 10.396 -5.915 3.703 453 HA LEU 56 HA LEU 56 11.223 -4.541 2.136 454 1HB LEU 56 1HB LEU 56 12.439 -7.173 1.288 455 2HB LEU 56 2HB LEU 56 13.059 -5.585 0.883 456 HG LEU 56 HG LEU 56 12.758 -5.775 3.742 457 1HD1 LEU 56 1HD1 LEU 56 14.555 -7.921 2.595 458 2HD1 LEU 56 2HD1 LEU 56 14.202 -7.580 4.306 459 3HD1 LEU 56 3HD1 LEU 56 12.929 -8.235 3.248 460 1HD2 LEU 56 1HD2 LEU 56 14.308 -4.229 3.175 461 2HD2 LEU 56 2HD2 LEU 56 15.411 -5.614 3.353 462 3HD2 LEU 56 3HD2 LEU 56 14.849 -5.128 1.736 463 H ILE 57 H ILE 57 9.334 -3.837 1.036 464 HA ILE 57 HA ILE 57 8.799 -5.296 -1.454 465 HB ILE 57 HB ILE 57 6.695 -3.641 -1.204 466 1HG1 ILE 57 1HG1 ILE 57 7.273 -4.425 1.660 467 2HG1 ILE 57 2HG1 ILE 57 7.662 -2.841 1.018 468 1HG2 ILE 57 1HG2 ILE 57 5.901 -5.859 0.272 469 2HG2 ILE 57 2HG2 ILE 57 5.871 -5.686 -1.498 470 3HG2 ILE 57 3HG2 ILE 57 7.268 -6.448 -0.703 471 1HD1 ILE 57 1HD1 ILE 57 5.304 -3.306 2.174 472 2HD1 ILE 57 2HD1 ILE 57 5.425 -2.228 0.762 473 3HD1 ILE 57 3HD1 ILE 57 4.880 -3.910 0.554 474 H ALA 58 H ALA 58 9.040 -1.969 -0.020 475 HA ALA 58 HA ALA 58 9.610 -0.028 -0.921 476 1HB ALA 58 1HB ALA 58 11.520 -2.030 -1.893 477 2HB ALA 58 2HB ALA 58 11.406 -0.619 -2.973 478 3HB ALA 58 3HB ALA 58 11.811 -0.394 -1.255 479 H HIS 59 H HIS 59 7.337 0.124 -1.707 480 HA HIS 59 HA HIS 59 7.380 0.431 -4.590 481 1HB HIS 59 1HB HIS 59 5.506 -0.870 -5.039 482 2HB HIS 59 2HB HIS 59 6.452 -1.866 -3.952 483 HD1 HIS 59 1HD HIS 59 3.218 -1.847 -4.436 484 HD2 HIS 59 2HD HIS 59 5.325 -0.383 -1.118 485 HE1 HIS 59 1HE HIS 59 1.571 -1.846 -2.488 486 H ARG 60 H ARG 60 5.255 1.631 -5.287 487 HA ARG 60 HA ARG 60 4.430 3.363 -3.109 488 1HB ARG 60 1HB ARG 60 5.398 4.211 -5.880 489 2HB ARG 60 2HB ARG 60 4.483 5.284 -4.839 490 1HG ARG 60 1HG ARG 60 6.620 4.110 -3.277 491 2HG ARG 60 2HG ARG 60 7.304 4.723 -4.770 492 1HD ARG 60 1HD ARG 60 5.334 6.567 -3.521 493 2HD ARG 60 2HD ARG 60 6.739 6.259 -2.520 494 HE ARG 60 HE ARG 60 6.686 7.825 -4.944 495 1HH1 ARG 60 1HH1 ARG 60 10.153 7.978 -5.308 496 2HH1 ARG 60 2HH1 ARG 60 8.636 8.658 -5.795 497 1HH2 ARG 60 1HH2 ARG 60 10.205 6.222 -3.791 498 2HH2 ARG 60 2HH2 ARG 60 8.726 5.592 -3.145 499 H LEU 61 H LEU 61 2.491 4.871 -4.079 500 HA LEU 61 HA LEU 61 0.734 3.002 -5.506 501 1HB LEU 61 1HB LEU 61 0.008 5.244 -3.615 502 2HB LEU 61 2HB LEU 61 -1.112 4.157 -4.411 503 HG LEU 61 HG LEU 61 0.290 2.288 -3.179 504 1HD1 LEU 61 1HD1 LEU 61 0.874 3.246 -0.842 505 2HD1 LEU 61 2HD1 LEU 61 2.035 3.442 -2.176 506 3HD1 LEU 61 3HD1 LEU 61 0.997 4.805 -1.691 507 1HD2 LEU 61 1HD2 LEU 61 -2.143 2.924 -2.903 508 2HD2 LEU 61 2HD2 LEU 61 -1.352 2.217 -1.474 509 3HD2 LEU 61 3HD2 LEU 61 -1.629 3.973 -1.561 510 H ALA 62 H ALA 62 -1.232 4.587 -6.461 511 HA ALA 62 HA ALA 62 0.249 6.342 -8.288 512 1HB ALA 62 1HB ALA 62 -1.024 5.472 -9.938 513 2HB ALA 62 2HB ALA 62 -1.492 4.221 -8.763 514 3HB ALA 62 3HB ALA 62 -2.519 5.656 -8.991 515 H SER 63 H SER 63 -3.211 6.175 -7.215 516 HA SER 63 HA SER 63 -3.311 8.219 -5.522 517 1HB SER 63 1HB SER 63 -4.137 10.107 -7.196 518 2HB SER 63 2HB SER 63 -2.434 9.933 -6.819 519 HG SER 63 HG SER 63 -2.007 9.231 -8.825 520 H VAL 64 H VAL 64 -4.899 6.336 -5.242 521 HA VAL 64 HA VAL 64 -7.278 6.638 -6.908 522 HB VAL 64 HB VAL 64 -6.124 4.502 -5.166 523 1HG1 VAL 64 1HG1 VAL 64 -9.056 4.629 -5.949 524 2HG1 VAL 64 2HG1 VAL 64 -8.234 3.275 -5.137 525 3HG1 VAL 64 3HG1 VAL 64 -8.414 4.835 -4.301 526 1HG2 VAL 64 1HG2 VAL 64 -6.983 3.137 -7.187 527 2HG2 VAL 64 2HG2 VAL 64 -7.199 4.716 -7.979 528 3HG2 VAL 64 3HG2 VAL 64 -5.584 4.210 -7.428 529 H ASN 65 H ASN 65 -5.911 7.784 -4.008 530 HA ASN 65 HA ASN 65 -8.318 7.780 -2.501 531 1HB ASN 65 1HB ASN 65 -6.074 9.695 -1.876 532 2HB ASN 65 2HB ASN 65 -7.010 8.701 -0.778 533 1HD2 ASN 65 1HD2 ASN 65 -4.330 8.852 -2.986 534 2HD2 ASN 65 2HD2 ASN 65 -3.562 7.358 -2.561 535 H LEU 66 H LEU 66 -6.134 10.461 -3.681 536 HA LEU 66 HA LEU 66 -8.166 11.832 -5.038 537 1HB LEU 66 1HB LEU 66 -8.928 12.103 -2.648 538 2HB LEU 66 2HB LEU 66 -7.483 13.055 -2.366 539 HG LEU 66 HG LEU 66 -9.470 13.778 -4.523 540 1HD1 LEU 66 1HD1 LEU 66 -10.941 13.981 -2.805 541 2HD1 LEU 66 2HD1 LEU 66 -9.665 14.169 -1.579 542 3HD1 LEU 66 3HD1 LEU 66 -10.105 15.542 -2.621 543 1HD2 LEU 66 1HD2 LEU 66 -6.998 14.938 -3.443 544 2HD2 LEU 66 2HD2 LEU 66 -7.808 15.193 -5.008 545 3HD2 LEU 66 3HD2 LEU 66 -8.349 16.090 -3.570 546 H SER 67 H SER 67 -5.259 12.415 -2.935 547 HA SER 67 HA SER 67 -3.334 13.320 -3.355 548 1HB SER 67 1HB SER 67 -4.061 12.396 -6.141 549 2HB SER 67 2HB SER 67 -2.611 13.354 -5.910 550 HG SER 67 HG SER 67 -3.205 10.922 -4.450 551 H ARG 68 H ARG 68 -2.508 15.441 -3.589 552 HA ARG 68 HA ARG 68 -3.643 17.214 -5.452 553 1HB ARG 68 1HB ARG 68 -4.744 17.137 -2.697 554 2HB ARG 68 2HB ARG 68 -4.190 18.733 -3.163 555 1HG ARG 68 1HG ARG 68 -5.544 17.909 -5.450 556 2HG ARG 68 2HG ARG 68 -6.495 17.161 -4.182 557 1HD ARG 68 1HD ARG 68 -5.702 20.110 -4.132 558 2HD ARG 68 2HD ARG 68 -7.201 19.540 -4.840 559 HE ARG 68 HE ARG 68 -6.775 18.570 -2.107 560 1HH1 ARG 68 1HH1 ARG 68 -9.201 20.696 -0.779 561 2HH1 ARG 68 2HH1 ARG 68 -8.192 19.322 -0.480 562 1HH2 ARG 68 1HH2 ARG 68 -9.117 21.774 -2.833 563 2HH2 ARG 68 2HH2 ARG 68 -8.043 21.203 -4.067 564 H LEU 69 H LEU 69 -2.547 19.396 -5.332 565 HA LEU 69 HA LEU 69 0.164 19.079 -4.594 566 1HB LEU 69 1HB LEU 69 -1.527 21.206 -5.817 567 2HB LEU 69 2HB LEU 69 0.023 21.672 -5.146 568 HG LEU 69 HG LEU 69 0.080 19.311 -6.937 569 1HD1 LEU 69 1HD1 LEU 69 -0.196 22.009 -8.243 570 2HD1 LEU 69 2HD1 LEU 69 -0.312 20.384 -8.962 571 3HD1 LEU 69 3HD1 LEU 69 -1.620 20.993 -7.919 572 1HD2 LEU 69 1HD2 LEU 69 2.234 19.835 -6.982 573 2HD2 LEU 69 2HD2 LEU 69 1.872 21.456 -7.620 574 3HD2 LEU 69 3HD2 LEU 69 1.900 21.177 -5.862 575 HA PRO 70 HA PRO 70 0.003 20.558 -0.540 576 1HB PRO 70 1HB PRO 70 2.613 21.270 -0.154 577 2HB PRO 70 2HB PRO 70 2.044 19.615 -0.043 578 1HG PRO 70 1HG PRO 70 3.590 20.903 -2.210 579 2HG PRO 70 2HG PRO 70 3.381 19.195 -1.875 580 1HD PRO 70 1HD PRO 70 2.077 20.713 -3.929 581 2HD PRO 70 2HD PRO 70 1.784 19.034 -3.520 582 H TYR 71 H TYR 71 0.791 22.477 0.940 583 HA TYR 71 HA TYR 71 0.081 24.847 -0.641 584 1HB TYR 71 1HB TYR 71 -0.820 23.632 1.796 585 2HB TYR 71 2HB TYR 71 0.135 25.003 2.323 586 HD1 TYR 71 1HD TYR 71 -0.432 27.313 1.222 587 HD2 TYR 71 2HD TYR 71 -3.060 23.935 1.188 588 HE1 TYR 71 1HE TYR 71 -2.412 28.847 0.790 589 HE2 TYR 71 2HE TYR 71 -5.031 25.482 0.756 590 HH TYR 71 HH TYR 71 -5.137 27.974 -0.428 591 H GLU 72 H GLU 72 1.393 26.664 -0.657 592 HA GLU 72 HA GLU 72 4.077 26.281 -0.138 593 1HB GLU 72 1HB GLU 72 4.168 28.843 -0.431 594 2HB GLU 72 2HB GLU 72 3.510 27.913 -1.763 595 1HG GLU 72 1HG GLU 72 1.431 28.834 -1.533 596 2HG GLU 72 2HG GLU 72 1.439 28.643 0.209 597 HA PRO 73 HA PRO 73 3.882 27.019 4.201 598 1HB PRO 73 1HB PRO 73 6.390 26.114 4.799 599 2HB PRO 73 2HB PRO 73 4.990 25.065 4.706 600 1HG PRO 73 1HG PRO 73 7.204 25.376 2.772 601 2HG PRO 73 2HG PRO 73 6.047 24.067 2.915 602 1HD PRO 73 1HD PRO 73 6.029 26.168 0.963 603 2HD PRO 73 2HD PRO 73 4.810 24.927 1.180 604 H LYS 74 H LYS 74 5.462 28.618 1.833 605 HA LYS 74 HA LYS 74 7.419 30.074 2.914 606 1HB LYS 74 1HB LYS 74 5.922 30.231 0.653 607 2HB LYS 74 2HB LYS 74 5.384 31.682 1.475 608 1HG LYS 74 1HG LYS 74 8.346 31.033 1.253 609 2HG LYS 74 2HG LYS 74 7.503 31.823 -0.064 610 1HD LYS 74 1HD LYS 74 6.718 33.220 2.294 611 2HD LYS 74 2HD LYS 74 8.443 32.959 2.454 612 1HE LYS 74 2HE LYS 74 8.071 33.724 -0.257 613 2HE LYS 74 3HE LYS 74 7.011 34.778 0.658 614 1HZ LYS 74 1HZ LYS 74 9.832 34.756 0.554 615 2HZ LYS 74 2HZ LYS 74 8.829 35.917 1.115 616 3HZ LYS 74 3HZ LYS 74 9.305 34.704 2.099 617 H LEU 75 H LEU 75 7.722 31.769 4.363 618 HA LEU 75 HA LEU 75 5.881 33.463 5.375 619 1HB LEU 75 1HB LEU 75 4.418 31.930 6.238 620 2HB LEU 75 2HB LEU 75 5.672 30.776 6.643 621 HG LEU 75 HG LEU 75 5.570 33.369 8.143 622 1HD1 LEU 75 1HD1 LEU 75 3.727 32.924 9.361 623 2HD1 LEU 75 2HD1 LEU 75 3.247 32.004 7.915 624 3HD1 LEU 75 3HD1 LEU 75 3.977 31.163 9.304 625 1HD2 LEU 75 1HD2 LEU 75 6.005 31.030 9.739 626 2HD2 LEU 75 2HD2 LEU 75 7.051 30.961 8.301 627 3HD2 LEU 75 3HD2 LEU 75 7.114 32.374 9.381 628 H LYS 76 H LYS 76 7.333 34.990 5.926 629 HA LYS 76 HA LYS 76 9.969 34.381 6.629 630 1HB LYS 76 1HB LYS 76 9.221 36.487 5.569 631 2HB LYS 76 2HB LYS 76 8.401 36.945 7.048 632 1HG LYS 76 1HG LYS 76 10.621 36.764 8.270 633 2HG LYS 76 2HG LYS 76 11.400 36.455 6.732 634 1HD LYS 76 1HD LYS 76 11.647 38.723 6.618 635 2HD LYS 76 2HD LYS 76 9.963 38.734 6.129 636 1HE LYS 76 2HE LYS 76 10.099 40.299 7.938 637 2HE LYS 76 3HE LYS 76 9.354 38.871 8.626 638 1HZ LYS 76 1HZ LYS 76 12.099 38.585 8.841 639 2HZ LYS 76 2HZ LYS 76 11.731 40.084 9.374 640 3HZ LYS 76 3HZ LYS 76 11.013 38.780 10.045 Start of MODEL 17 1 H MET 1 H MET 1 31.315 -0.539 4.224 2 HA MET 1 HA MET 1 32.423 -2.135 5.827 3 1HB MET 1 1HB MET 1 33.571 -0.136 7.022 4 2HB MET 1 2HB MET 1 33.591 -0.092 5.270 5 1HG MET 1 1HG MET 1 31.422 1.319 5.420 6 2HG MET 1 2HG MET 1 31.741 1.457 7.137 7 1HE MET 1 1HE MET 1 34.077 3.999 7.659 8 2HE MET 1 2HE MET 1 32.471 4.467 7.054 9 3HE MET 1 3HE MET 1 32.649 3.022 8.078 10 H LEU 2 H LEU 2 29.797 -2.544 6.670 11 HA LEU 2 HA LEU 2 30.146 -2.637 9.467 12 1HB LEU 2 1HB LEU 2 28.897 -0.266 8.410 13 2HB LEU 2 2HB LEU 2 27.739 -1.179 9.356 14 HG LEU 2 HG LEU 2 30.358 -0.900 10.666 15 1HD1 LEU 2 1HD1 LEU 2 28.937 1.498 9.630 16 2HD1 LEU 2 2HD1 LEU 2 29.533 1.562 11.305 17 3HD1 LEU 2 3HD1 LEU 2 30.664 1.236 9.970 18 1HD2 LEU 2 1HD2 LEU 2 29.053 -1.360 12.396 19 2HD2 LEU 2 2HD2 LEU 2 28.210 0.192 12.175 20 3HD2 LEU 2 3HD2 LEU 2 27.613 -1.270 11.354 21 H LYS 3 H LYS 3 27.794 -3.318 10.448 22 HA LYS 3 HA LYS 3 27.059 -5.567 8.794 23 1HB LYS 3 1HB LYS 3 27.024 -4.883 11.628 24 2HB LYS 3 2HB LYS 3 25.501 -5.582 11.116 25 1HG LYS 3 1HG LYS 3 27.839 -6.986 9.970 26 2HG LYS 3 2HG LYS 3 27.835 -7.004 11.722 27 1HD LYS 3 1HD LYS 3 26.250 -8.622 11.705 28 2HD LYS 3 2HD LYS 3 25.141 -7.532 10.897 29 1HE LYS 3 2HE LYS 3 25.877 -8.248 8.704 30 2HE LYS 3 3HE LYS 3 27.271 -9.080 9.363 31 1HZ LYS 3 1HZ LYS 3 24.779 -9.959 10.448 32 2HZ LYS 3 2HZ LYS 3 24.927 -10.229 8.843 33 3HZ LYS 3 3HZ LYS 3 26.035 -10.835 9.879 34 H ASN 4 H ASN 4 25.191 -5.798 7.632 35 HA ASN 4 HA ASN 4 23.787 -3.546 6.940 36 1HB ASN 4 1HB ASN 4 23.745 -6.388 6.338 37 2HB ASN 4 2HB ASN 4 22.092 -5.857 6.572 38 1HD2 ASN 4 1HD2 ASN 4 21.149 -5.367 4.756 39 2HD2 ASN 4 2HD2 ASN 4 21.837 -4.546 3.395 40 H LEU 5 H LEU 5 21.511 -2.939 7.434 41 HA LEU 5 HA LEU 5 20.864 -3.430 10.186 42 1HB LEU 5 1HB LEU 5 20.470 -1.375 8.324 43 2HB LEU 5 2HB LEU 5 18.865 -1.993 8.665 44 HG LEU 5 HG LEU 5 19.924 -1.785 11.194 45 1HD1 LEU 5 1HD1 LEU 5 21.837 -0.513 9.804 46 2HD1 LEU 5 2HD1 LEU 5 20.719 0.846 10.070 47 3HD1 LEU 5 3HD1 LEU 5 21.364 -0.060 11.459 48 1HD2 LEU 5 1HD2 LEU 5 18.656 0.579 11.004 49 2HD2 LEU 5 2HD2 LEU 5 18.077 -0.190 9.506 50 3HD2 LEU 5 3HD2 LEU 5 17.812 -0.987 11.076 51 H ALA 6 H ALA 6 19.841 -5.246 10.825 52 HA ALA 6 HA ALA 6 17.349 -5.965 9.843 53 1HB ALA 6 1HB ALA 6 17.687 -7.585 8.266 54 2HB ALA 6 2HB ALA 6 19.179 -6.663 7.965 55 3HB ALA 6 3HB ALA 6 19.224 -8.119 8.988 56 H LYS 7 H LYS 7 17.078 -5.940 12.147 57 HA LYS 7 HA LYS 7 18.630 -7.849 13.670 58 1HB LYS 7 1HB LYS 7 18.124 -5.562 14.524 59 2HB LYS 7 2HB LYS 7 16.420 -5.970 14.554 60 1HG LYS 7 1HG LYS 7 16.760 -6.781 16.648 61 2HG LYS 7 2HG LYS 7 17.605 -8.124 15.902 62 1HD LYS 7 1HD LYS 7 19.662 -7.363 16.562 63 2HD LYS 7 2HD LYS 7 19.290 -5.702 16.146 64 1HE LYS 7 2HE LYS 7 19.079 -5.264 18.363 65 2HE LYS 7 3HE LYS 7 17.628 -6.245 18.367 66 1HZ LYS 7 1HZ LYS 7 19.234 -7.028 19.958 67 2HZ LYS 7 2HZ LYS 7 18.992 -8.167 18.813 68 3HZ LYS 7 3HZ LYS 7 20.352 -7.263 18.791 69 H LEU 8 H LEU 8 15.167 -7.243 12.775 70 HA LEU 8 HA LEU 8 14.557 -9.829 12.179 71 1HB LEU 8 1HB LEU 8 15.048 -9.640 14.932 72 2HB LEU 8 2HB LEU 8 13.304 -9.699 14.780 73 HG LEU 8 HG LEU 8 13.518 -11.775 13.420 74 1HD1 LEU 8 1HD1 LEU 8 15.880 -11.245 12.662 75 2HD1 LEU 8 2HD1 LEU 8 16.422 -11.830 14.253 76 3HD1 LEU 8 3HD1 LEU 8 15.563 -12.928 13.147 77 1HD2 LEU 8 1HD2 LEU 8 14.973 -12.363 15.955 78 2HD2 LEU 8 2HD2 LEU 8 13.395 -11.546 16.065 79 3HD2 LEU 8 3HD2 LEU 8 13.526 -13.125 15.254 80 H ASP 9 H ASP 9 13.051 -9.185 10.726 81 HA ASP 9 HA ASP 9 11.231 -8.342 9.905 82 1HB ASP 9 1HB ASP 9 10.509 -8.460 12.828 83 2HB ASP 9 2HB ASP 9 9.442 -7.555 11.773 84 H GLN 10 H GLN 10 13.455 -6.583 10.293 85 HA GLN 10 HA GLN 10 12.599 -4.205 11.557 86 1HB GLN 10 1HB GLN 10 14.998 -4.919 11.332 87 2HB GLN 10 2HB GLN 10 14.900 -4.650 9.604 88 1HG GLN 10 1HG GLN 10 13.888 -2.277 10.856 89 2HG GLN 10 2HG GLN 10 15.350 -2.711 11.721 90 1HE2 GLN 10 1HE2 GLN 10 14.300 -0.809 9.401 91 2HE2 GLN 10 2HE2 GLN 10 15.638 -0.760 8.303 92 H THR 11 H THR 11 11.552 -5.682 8.764 93 HA THR 11 HA THR 11 11.315 -3.203 7.229 94 HB THR 11 HB THR 11 10.849 -6.167 6.635 95 HG1 THR 11 1HG THR 11 12.716 -5.670 5.294 96 1HG2 THR 11 1HG2 THR 11 10.283 -5.573 4.376 97 2HG2 THR 11 2HG2 THR 11 9.258 -4.517 5.377 98 3HG2 THR 11 3HG2 THR 11 10.739 -3.871 4.630 99 H GLU 12 H GLU 12 9.503 -5.358 9.332 100 HA GLU 12 HA GLU 12 6.995 -4.395 8.376 101 1HB GLU 12 1HB GLU 12 7.482 -6.716 9.393 102 2HB GLU 12 2HB GLU 12 7.515 -5.923 10.956 103 1HG GLU 12 1HG GLU 12 5.181 -4.928 10.252 104 2HG GLU 12 2HG GLU 12 5.180 -6.186 9.032 105 H MET 13 H MET 13 9.464 -3.253 10.480 106 HA MET 13 HA MET 13 7.780 -1.956 12.340 107 1HB MET 13 1HB MET 13 9.970 -0.758 12.917 108 2HB MET 13 2HB MET 13 10.085 -2.507 12.950 109 1HG MET 13 1HG MET 13 11.714 -2.461 11.370 110 2HG MET 13 2HG MET 13 10.640 -1.646 10.250 111 1HE MET 13 1HE MET 13 12.728 0.159 13.703 112 2HE MET 13 2HE MET 13 12.753 -1.542 13.180 113 3HE MET 13 3HE MET 13 14.032 -0.426 12.642 114 H ASP 14 H ASP 14 9.155 -1.170 9.159 115 HA ASP 14 HA ASP 14 8.761 1.604 9.405 116 1HB ASP 14 1HB ASP 14 10.336 0.465 7.783 117 2HB ASP 14 2HB ASP 14 8.947 -0.126 6.893 118 H LYS 15 H LYS 15 6.839 -1.230 8.430 119 HA LYS 15 HA LYS 15 4.798 0.343 7.153 120 1HB LYS 15 1HB LYS 15 5.464 -2.509 7.482 121 2HB LYS 15 2HB LYS 15 3.746 -2.169 7.524 122 1HG LYS 15 1HG LYS 15 4.702 -2.602 5.198 123 2HG LYS 15 2HG LYS 15 3.792 -1.113 5.356 124 1HD LYS 15 1HD LYS 15 6.715 -0.889 5.946 125 2HD LYS 15 2HD LYS 15 6.315 -1.263 4.281 126 1HE LYS 15 2HE LYS 15 4.499 0.797 5.148 127 2HE LYS 15 3HE LYS 15 6.107 1.277 5.655 128 1HZ LYS 15 1HZ LYS 15 5.286 0.540 2.935 129 2HZ LYS 15 2HZ LYS 15 5.746 2.018 3.457 130 3HZ LYS 15 3HZ LYS 15 6.838 0.806 3.369 131 H VAL 16 H VAL 16 5.122 -1.627 10.184 132 HA VAL 16 HA VAL 16 2.685 -1.306 11.259 133 HB VAL 16 HB VAL 16 5.298 -1.939 12.134 134 1HG1 VAL 16 1HG1 VAL 16 3.877 -0.004 13.992 135 2HG1 VAL 16 2HG1 VAL 16 5.225 -1.064 14.471 136 3HG1 VAL 16 3HG1 VAL 16 5.479 0.200 13.243 137 1HG2 VAL 16 1HG2 VAL 16 3.615 -3.526 12.446 138 2HG2 VAL 16 2HG2 VAL 16 3.915 -2.930 14.096 139 3HG2 VAL 16 3HG2 VAL 16 2.502 -2.350 13.183 140 H ASN 17 H ASN 17 5.175 1.193 10.799 141 HA ASN 17 HA ASN 17 4.066 3.059 12.532 142 1HB ASN 17 1HB ASN 17 6.385 3.033 11.290 143 2HB ASN 17 2HB ASN 17 5.525 3.762 9.947 144 1HD2 ASN 17 1HD2 ASN 17 5.384 4.109 13.493 145 2HD2 ASN 17 2HD2 ASN 17 5.592 5.827 13.553 146 H VAL 18 H VAL 18 4.084 3.011 8.878 147 HA VAL 18 HA VAL 18 2.107 4.934 8.574 148 HB VAL 18 HB VAL 18 2.823 2.650 6.727 149 1HG1 VAL 18 1HG1 VAL 18 1.478 5.327 6.280 150 2HG1 VAL 18 2HG1 VAL 18 2.205 4.375 4.963 151 3HG1 VAL 18 3HG1 VAL 18 0.856 3.701 5.909 152 1HG2 VAL 18 1HG2 VAL 18 4.574 4.523 7.747 153 2HG2 VAL 18 2HG2 VAL 18 4.772 3.641 6.213 154 3HG2 VAL 18 3HG2 VAL 18 4.052 5.270 6.218 155 H ASP 19 H ASP 19 1.917 1.676 9.716 156 HA ASP 19 HA ASP 19 -0.319 0.636 8.798 157 1HB ASP 19 1HB ASP 19 1.164 -0.086 10.798 158 2HB ASP 19 2HB ASP 19 0.141 0.928 11.798 159 H LEU 20 H LEU 20 0.021 3.582 10.767 160 HA LEU 20 HA LEU 20 -2.791 3.740 11.360 161 1HB LEU 20 1HB LEU 20 -0.517 4.671 12.557 162 2HB LEU 20 2HB LEU 20 -1.096 6.112 11.745 163 HG LEU 20 HG LEU 20 -3.346 4.942 13.026 164 1HD1 LEU 20 1HD1 LEU 20 -2.774 4.504 15.212 165 2HD1 LEU 20 2HD1 LEU 20 -1.389 3.805 14.338 166 3HD1 LEU 20 3HD1 LEU 20 -1.239 5.402 15.111 167 1HD2 LEU 20 1HD2 LEU 20 -2.588 7.398 12.514 168 2HD2 LEU 20 2HD2 LEU 20 -3.632 7.046 13.912 169 3HD2 LEU 20 3HD2 LEU 20 -1.888 7.309 14.148 170 H ALA 21 H ALA 21 -0.387 5.419 9.237 171 HA ALA 21 HA ALA 21 -2.193 7.227 8.132 172 1HB ALA 21 1HB ALA 21 -0.260 7.917 7.225 173 2HB ALA 21 2HB ALA 21 0.541 6.455 7.848 174 3HB ALA 21 3HB ALA 21 -0.185 6.448 6.224 175 H ALA 22 H ALA 22 -1.961 3.787 7.851 176 HA ALA 22 HA ALA 22 -2.575 3.130 5.339 177 1HB ALA 22 1HB ALA 22 -3.592 1.193 6.230 178 2HB ALA 22 2HB ALA 22 -2.479 1.723 7.513 179 3HB ALA 22 3HB ALA 22 -4.220 2.064 7.649 180 H ALA 23 H ALA 23 -4.594 2.794 4.122 181 HA ALA 23 HA ALA 23 -6.441 4.998 4.642 182 1HB ALA 23 1HB ALA 23 -6.822 3.526 2.152 183 2HB ALA 23 2HB ALA 23 -6.447 5.248 2.405 184 3HB ALA 23 3HB ALA 23 -5.132 4.050 2.344 185 H GLY 24 H GLY 24 -8.589 3.816 3.035 186 1HA GLY 24 1HA GLY 24 -9.358 1.462 4.619 187 2HA GLY 24 2HA GLY 24 -10.379 2.886 4.657 188 H VAL 25 H VAL 25 -11.411 3.645 2.657 189 HA VAL 25 HA VAL 25 -11.658 1.457 0.714 190 HB VAL 25 HB VAL 25 -13.682 3.624 0.912 191 1HG1 VAL 25 1HG1 VAL 25 -14.555 2.167 -0.560 192 2HG1 VAL 25 2HG1 VAL 25 -13.466 0.856 -0.049 193 3HG1 VAL 25 3HG1 VAL 25 -14.960 1.179 0.863 194 1HG2 VAL 25 1HG2 VAL 25 -14.819 2.172 2.743 195 2HG2 VAL 25 2HG2 VAL 25 -13.170 1.591 3.078 196 3HG2 VAL 25 3HG2 VAL 25 -13.549 3.325 3.222 197 H ALA 26 H ALA 26 -10.429 4.617 1.285 198 HA ALA 26 HA ALA 26 -10.818 6.151 -0.816 199 1HB ALA 26 1HB ALA 26 -8.669 5.647 1.019 200 2HB ALA 26 2HB ALA 26 -7.971 5.936 -0.593 201 3HB ALA 26 3HB ALA 26 -9.049 7.148 0.140 202 H PHE 27 H PHE 27 -7.892 4.071 -1.131 203 HA PHE 27 HA PHE 27 -8.848 3.371 -3.817 204 1HB PHE 27 1HB PHE 27 -6.674 3.923 -4.637 205 2HB PHE 27 2HB PHE 27 -6.893 5.144 -3.400 206 HD1 PHE 27 1HD PHE 27 -4.780 2.582 -4.593 207 HD2 PHE 27 2HD PHE 27 -5.988 4.539 -1.026 208 HE1 PHE 27 1HE PHE 27 -2.679 1.810 -3.457 209 HE2 PHE 27 2HE PHE 27 -3.887 3.767 0.109 210 HZ PHE 27 HZ PHE 27 -2.257 2.412 -1.120 211 H LYS 28 H LYS 28 -7.829 1.355 -4.712 212 HA LYS 28 HA LYS 28 -6.928 -0.694 -4.526 213 1HB LYS 28 1HB LYS 28 -5.760 0.463 -2.337 214 2HB LYS 28 2HB LYS 28 -6.695 -0.813 -1.583 215 1HG LYS 28 1HG LYS 28 -5.215 -1.612 -4.054 216 2HG LYS 28 2HG LYS 28 -4.206 -1.180 -2.688 217 1HD LYS 28 1HD LYS 28 -4.568 -3.258 -1.856 218 2HD LYS 28 2HD LYS 28 -6.229 -2.789 -1.557 219 1HE LYS 28 2HE LYS 28 -6.370 -4.771 -2.896 220 2HE LYS 28 3HE LYS 28 -6.738 -3.454 -3.991 221 1HZ LYS 28 1HZ LYS 28 -4.530 -3.527 -4.814 222 2HZ LYS 28 2HZ LYS 28 -4.055 -4.611 -3.689 223 3HZ LYS 28 3HZ LYS 28 -5.113 -5.053 -4.852 224 H GLU 29 H GLU 29 -9.765 0.571 -3.647 225 HA GLU 29 HA GLU 29 -11.136 -0.996 -2.038 226 1HB GLU 29 1HB GLU 29 -12.970 -0.825 -4.052 227 2HB GLU 29 2HB GLU 29 -12.568 0.509 -2.986 228 1HG GLU 29 1HG GLU 29 -11.069 1.489 -4.587 229 2HG GLU 29 2HG GLU 29 -10.991 0.022 -5.542 230 H ARG 30 H ARG 30 -10.276 -1.842 -5.453 231 HA ARG 30 HA ARG 30 -10.190 -3.724 -6.509 232 1HB ARG 30 1HB ARG 30 -8.714 -4.372 -4.541 233 2HB ARG 30 2HB ARG 30 -10.114 -5.097 -3.775 234 1HG ARG 30 1HG ARG 30 -9.389 -5.921 -6.598 235 2HG ARG 30 2HG ARG 30 -8.474 -6.578 -5.256 236 1HD ARG 30 1HD ARG 30 -11.197 -6.805 -4.468 237 2HD ARG 30 2HD ARG 30 -11.175 -7.267 -6.157 238 HE ARG 30 HE ARG 30 -10.220 -8.866 -4.021 239 1HH1 ARG 30 1HH1 ARG 30 -8.013 -10.857 -5.849 240 2HH1 ARG 30 2HH1 ARG 30 -8.916 -10.709 -4.379 241 1HH2 ARG 30 1HH2 ARG 30 -8.127 -9.185 -7.455 242 2HH2 ARG 30 2HH2 ARG 30 -9.115 -7.789 -7.183 243 H TYR 31 H TYR 31 -11.993 -4.817 -3.536 244 HA TYR 31 HA TYR 31 -13.876 -6.284 -5.032 245 1HB TYR 31 1HB TYR 31 -15.038 -5.987 -2.623 246 2HB TYR 31 2HB TYR 31 -13.562 -6.924 -2.750 247 HD1 TYR 31 1HD TYR 31 -11.586 -6.262 -1.608 248 HD2 TYR 31 2HD TYR 31 -14.889 -3.556 -1.879 249 HE1 TYR 31 1HE TYR 31 -10.472 -4.722 0.080 250 HE2 TYR 31 2HE TYR 31 -13.765 -2.025 -0.190 251 HH TYR 31 HH TYR 31 -11.322 -1.597 0.503 252 H ASN 32 H ASN 32 -13.562 -2.891 -4.320 253 HA ASN 32 HA ASN 32 -14.805 -1.173 -4.768 254 1HB ASN 32 1HB ASN 32 -15.238 -2.057 -6.993 255 2HB ASN 32 2HB ASN 32 -16.393 -3.225 -6.381 256 1HD2 ASN 32 1HD2 ASN 32 -18.416 -2.757 -6.715 257 2HD2 ASN 32 2HD2 ASN 32 -19.131 -1.183 -6.836 258 H MET 33 H MET 33 -15.252 -1.697 -2.284 259 HA MET 33 HA MET 33 -17.869 -2.680 -1.738 260 1HB MET 33 1HB MET 33 -15.603 -2.747 -0.316 261 2HB MET 33 2HB MET 33 -16.113 -1.164 0.236 262 1HG MET 33 1HG MET 33 -16.889 -2.988 1.765 263 2HG MET 33 2HG MET 33 -18.229 -2.080 1.095 264 1HE MET 33 1HE MET 33 -16.693 -4.264 -1.769 265 2HE MET 33 2HE MET 33 -15.784 -4.626 -0.283 266 3HE MET 33 3HE MET 33 -16.803 -5.880 -1.031 267 HA PRO 34 HA PRO 34 -19.850 1.190 -1.875 268 1HB PRO 34 1HB PRO 34 -22.213 0.536 -0.668 269 2HB PRO 34 2HB PRO 34 -21.877 0.210 -2.356 270 1HG PRO 34 1HG PRO 34 -21.934 -1.676 -0.082 271 2HG PRO 34 2HG PRO 34 -22.025 -2.022 -1.797 272 1HD PRO 34 1HD PRO 34 -19.742 -2.364 -0.095 273 2HD PRO 34 2HD PRO 34 -19.800 -2.599 -1.831 274 H VAL 35 H VAL 35 -21.423 2.591 -0.279 275 HA VAL 35 HA VAL 35 -19.774 3.748 1.496 276 HB VAL 35 HB VAL 35 -21.731 4.866 1.116 277 1HG1 VAL 35 1HG1 VAL 35 -23.013 2.177 1.330 278 2HG1 VAL 35 2HG1 VAL 35 -24.008 3.601 1.718 279 3HG1 VAL 35 3HG1 VAL 35 -23.237 3.462 0.120 280 1HG2 VAL 35 1HG2 VAL 35 -22.671 5.336 3.189 281 2HG2 VAL 35 2HG2 VAL 35 -22.631 3.636 3.713 282 3HG2 VAL 35 3HG2 VAL 35 -21.124 4.580 3.639 283 H ILE 36 H ILE 36 -18.389 2.271 2.570 284 HA ILE 36 HA ILE 36 -19.205 1.497 5.097 285 HB ILE 36 HB ILE 36 -19.838 -0.435 3.010 286 1HG1 ILE 36 1HG1 ILE 36 -20.576 -0.980 5.808 287 2HG1 ILE 36 2HG1 ILE 36 -21.041 0.615 5.253 288 1HG2 ILE 36 1HG2 ILE 36 -17.831 -1.560 3.538 289 2HG2 ILE 36 2HG2 ILE 36 -18.029 -1.267 5.283 290 3HG2 ILE 36 3HG2 ILE 36 -19.113 -2.401 4.442 291 1HD1 ILE 36 1HD1 ILE 36 -21.594 -1.847 3.559 292 2HD1 ILE 36 2HD1 ILE 36 -22.712 -1.331 4.845 293 3HD1 ILE 36 3HD1 ILE 36 -22.371 -0.248 3.474 294 H ALA 37 H ALA 37 -17.419 0.662 6.335 295 HA ALA 37 HA ALA 37 -14.899 0.690 4.818 296 1HB ALA 37 1HB ALA 37 -14.316 2.457 6.080 297 2HB ALA 37 2HB ALA 37 -15.826 2.340 7.014 298 3HB ALA 37 3HB ALA 37 -14.397 1.403 7.512 299 H GLU 38 H GLU 38 -17.090 -0.956 6.959 300 HA GLU 38 HA GLU 38 -15.170 -2.552 8.247 301 1HB GLU 38 1HB GLU 38 -17.671 -2.050 8.866 302 2HB GLU 38 2HB GLU 38 -18.051 -3.378 7.788 303 1HG GLU 38 1HG GLU 38 -17.407 -4.923 9.325 304 2HG GLU 38 2HG GLU 38 -15.859 -4.137 9.560 305 H ALA 39 H ALA 39 -17.338 -3.027 5.383 306 HA ALA 39 HA ALA 39 -16.327 -5.644 4.876 307 1HB ALA 39 1HB ALA 39 -17.652 -5.351 2.751 308 2HB ALA 39 2HB ALA 39 -18.589 -5.061 4.237 309 3HB ALA 39 3HB ALA 39 -18.012 -3.685 3.265 310 H VAL 40 H VAL 40 -14.897 -2.629 4.685 311 HA VAL 40 HA VAL 40 -13.617 -2.963 2.136 312 HB VAL 40 HB VAL 40 -13.834 -0.945 4.251 313 1HG1 VAL 40 1HG1 VAL 40 -11.714 0.201 3.668 314 2HG1 VAL 40 2HG1 VAL 40 -11.448 -1.355 4.493 315 3HG1 VAL 40 3HG1 VAL 40 -11.220 -1.230 2.732 316 1HG2 VAL 40 1HG2 VAL 40 -13.065 0.053 1.658 317 2HG2 VAL 40 2HG2 VAL 40 -14.314 -1.203 1.474 318 3HG2 VAL 40 3HG2 VAL 40 -14.619 0.211 2.513 319 H GLU 41 H GLU 41 -12.692 -3.190 5.634 320 HA GLU 41 HA GLU 41 -10.101 -4.116 4.926 321 1HB GLU 41 1HB GLU 41 -11.457 -3.163 7.299 322 2HB GLU 41 2HB GLU 41 -10.683 -4.690 7.673 323 1HG GLU 41 1HG GLU 41 -8.513 -3.875 6.944 324 2HG GLU 41 2HG GLU 41 -9.221 -2.441 6.225 325 H ARG 42 H ARG 42 -13.246 -5.524 5.839 326 HA ARG 42 HA ARG 42 -12.327 -8.034 6.520 327 1HB ARG 42 1HB ARG 42 -14.626 -7.285 7.001 328 2HB ARG 42 2HB ARG 42 -14.981 -7.140 5.291 329 1HG ARG 42 1HG ARG 42 -15.692 -9.292 5.313 330 2HG ARG 42 2HG ARG 42 -14.037 -9.792 5.595 331 1HD ARG 42 1HD ARG 42 -14.584 -10.491 7.684 332 2HD ARG 42 2HD ARG 42 -15.082 -8.868 8.114 333 HE ARG 42 HE ARG 42 -17.295 -9.570 7.941 334 1HH1 ARG 42 1HH1 ARG 42 -18.753 -12.281 6.298 335 2HH1 ARG 42 2HH1 ARG 42 -19.031 -10.934 7.350 336 1HH2 ARG 42 1HH2 ARG 42 -16.617 -12.703 5.490 337 2HH2 ARG 42 2HH2 ARG 42 -15.302 -11.668 5.938 338 H GLU 43 H GLU 43 -12.965 -6.456 3.388 339 HA GLU 43 HA GLU 43 -12.942 -8.877 1.923 340 1HB GLU 43 1HB GLU 43 -12.761 -5.944 1.138 341 2HB GLU 43 2HB GLU 43 -12.684 -7.227 -0.053 342 1HG GLU 43 1HG GLU 43 -14.937 -7.344 1.937 343 2HG GLU 43 2HG GLU 43 -15.022 -6.093 0.712 344 H GLN 44 H GLN 44 -10.722 -6.039 1.490 345 HA GLN 44 HA GLN 44 -8.462 -7.735 1.930 346 1HB GLN 44 1HB GLN 44 -9.455 -7.531 -0.696 347 2HB GLN 44 2HB GLN 44 -8.123 -6.392 -0.660 348 1HG GLN 44 1HG GLN 44 -7.110 -8.462 -1.265 349 2HG GLN 44 2HG GLN 44 -6.721 -8.270 0.433 350 1HE2 GLN 44 1HE2 GLN 44 -8.804 -9.863 -1.895 351 2HE2 GLN 44 2HE2 GLN 44 -9.300 -11.195 -0.906 352 HA PRO 45 HA PRO 45 -7.366 -3.697 3.268 353 1HB PRO 45 1HB PRO 45 -5.188 -4.411 4.755 354 2HB PRO 45 2HB PRO 45 -6.823 -4.433 5.382 355 1HG PRO 45 1HG PRO 45 -5.122 -6.708 4.563 356 2HG PRO 45 2HG PRO 45 -6.558 -6.717 5.568 357 1HD PRO 45 1HD PRO 45 -6.380 -7.524 2.821 358 2HD PRO 45 2HD PRO 45 -7.836 -7.422 3.792 359 H GLU 46 H GLU 46 -6.297 -2.054 2.333 360 HA GLU 46 HA GLU 46 -4.783 -2.645 0.117 361 1HB GLU 46 1HB GLU 46 -4.440 -0.069 1.679 362 2HB GLU 46 2HB GLU 46 -4.415 -0.301 -0.058 363 1HG GLU 46 1HG GLU 46 -6.589 0.401 0.016 364 2HG GLU 46 2HG GLU 46 -6.939 -1.235 0.537 365 H HIS 47 H HIS 47 -3.577 -1.176 3.228 366 HA HIS 47 HA HIS 47 -0.965 -1.222 2.840 367 1HB HIS 47 1HB HIS 47 -0.663 -1.392 5.193 368 2HB HIS 47 2HB HIS 47 -2.172 -0.545 4.913 369 HD1 HIS 47 1HD HIS 47 -4.425 -2.079 5.198 370 HD2 HIS 47 2HD HIS 47 -0.869 -3.608 6.813 371 HE1 HIS 47 1HE HIS 47 -5.114 -3.898 6.850 372 H LEU 48 H LEU 48 -2.872 -4.123 3.901 373 HA LEU 48 HA LEU 48 -0.916 -5.944 4.165 374 1HB LEU 48 1HB LEU 48 -3.738 -5.947 3.534 375 2HB LEU 48 2HB LEU 48 -2.921 -7.272 2.727 376 HG LEU 48 HG LEU 48 -3.719 -8.103 4.797 377 1HD1 LEU 48 1HD1 LEU 48 -1.181 -8.013 6.018 378 2HD1 LEU 48 2HD1 LEU 48 -1.843 -9.276 4.951 379 3HD1 LEU 48 3HD1 LEU 48 -0.895 -7.936 4.263 380 1HD2 LEU 48 1HD2 LEU 48 -3.829 -5.684 5.774 381 2HD2 LEU 48 2HD2 LEU 48 -3.632 -7.079 6.861 382 3HD2 LEU 48 3HD2 LEU 48 -2.224 -6.080 6.432 383 H ARG 49 H ARG 49 -1.942 -4.330 1.192 384 HA ARG 49 HA ARG 49 -0.958 -6.144 -0.618 385 1HB ARG 49 1HB ARG 49 -1.137 -4.378 -2.224 386 2HB ARG 49 2HB ARG 49 -2.346 -3.991 -1.015 387 1HG ARG 49 1HG ARG 49 -0.603 -2.495 0.119 388 2HG ARG 49 2HG ARG 49 0.442 -2.771 -1.260 389 1HD ARG 49 1HD ARG 49 -2.136 -1.213 -1.112 390 2HD ARG 49 2HD ARG 49 -0.633 -0.788 -1.905 391 HE ARG 49 HE ARG 49 -2.788 -2.475 -3.010 392 1HH1 ARG 49 1HH1 ARG 49 -1.171 -2.727 -6.092 393 2HH1 ARG 49 2HH1 ARG 49 -2.643 -3.014 -5.226 394 1HH2 ARG 49 1HH2 ARG 49 0.654 -1.794 -5.003 395 2HH2 ARG 49 2HH2 ARG 49 0.543 -1.385 -3.323 396 H SER 50 H SER 50 0.634 -3.415 1.138 397 HA SER 50 HA SER 50 3.153 -4.234 -0.054 398 1HB SER 50 1HB SER 50 2.110 -1.683 1.149 399 2HB SER 50 2HB SER 50 3.827 -1.998 1.301 400 HG SER 50 HG SER 50 3.134 -0.789 -0.669 401 H TRP 51 H TRP 51 1.241 -4.267 2.880 402 HA TRP 51 HA TRP 51 3.396 -4.471 4.716 403 1HB TRP 51 1HB TRP 51 0.443 -4.747 4.777 404 2HB TRP 51 2HB TRP 51 1.333 -5.599 6.024 405 HD1 TRP 51 HD TRP 51 1.405 -4.119 8.165 406 HE1 TRP 51 1HE TRP 51 1.685 -1.577 8.814 407 HE3 TRP 51 3HE TRP 51 1.695 -2.389 3.392 408 HZ2 TRP 51 2HZ TRP 51 1.991 0.819 7.294 409 HZ3 TRP 51 3HZ TRP 51 1.985 0.066 3.062 410 HH2 TRP 51 HH TRP 51 2.132 1.650 4.917 411 H PHE 52 H PHE 52 1.869 -6.573 2.378 412 HA PHE 52 HA PHE 52 3.148 -8.886 3.657 413 1HB PHE 52 1HB PHE 52 0.516 -8.549 3.032 414 2HB PHE 52 2HB PHE 52 1.072 -9.012 1.435 415 HD1 PHE 52 1HD PHE 52 0.831 -11.232 0.907 416 HD2 PHE 52 2HD PHE 52 1.558 -10.188 4.955 417 HE1 PHE 52 1HE PHE 52 0.689 -13.652 1.556 418 HE2 PHE 52 2HE PHE 52 1.414 -12.607 5.606 419 HZ PHE 52 HZ PHE 52 0.981 -14.311 3.898 420 H ARG 53 H ARG 53 2.809 -6.885 0.736 421 HA ARG 53 HA ARG 53 4.588 -8.712 -0.642 422 1HB ARG 53 1HB ARG 53 2.318 -7.583 -1.582 423 2HB ARG 53 2HB ARG 53 3.413 -6.275 -1.985 424 1HG ARG 53 1HG ARG 53 4.300 -7.434 -3.729 425 2HG ARG 53 2HG ARG 53 4.589 -8.848 -2.735 426 1HD ARG 53 1HD ARG 53 2.985 -9.803 -4.080 427 2HD ARG 53 2HD ARG 53 1.871 -9.027 -2.972 428 HE ARG 53 HE ARG 53 2.288 -7.020 -4.770 429 1HH1 ARG 53 1HH1 ARG 53 0.522 -8.039 -7.603 430 2HH1 ARG 53 2HH1 ARG 53 1.194 -6.690 -6.750 431 1HH2 ARG 53 1HH2 ARG 53 0.733 -10.182 -6.736 432 2HH2 ARG 53 2HH2 ARG 53 1.562 -10.432 -5.236 433 H GLU 54 H GLU 54 4.843 -6.194 1.454 434 HA GLU 54 HA GLU 54 6.118 -4.129 0.563 435 1HB GLU 54 1HB GLU 54 6.673 -3.929 2.741 436 2HB GLU 54 2HB GLU 54 6.145 -5.583 2.985 437 1HG GLU 54 1HG GLU 54 8.401 -5.528 3.779 438 2HG GLU 54 2HG GLU 54 8.488 -6.325 2.220 439 H ARG 55 H ARG 55 7.520 -7.441 0.565 440 HA ARG 55 HA ARG 55 9.552 -8.106 -0.047 441 1HB ARG 55 1HB ARG 55 7.823 -7.961 -2.079 442 2HB ARG 55 2HB ARG 55 8.945 -6.766 -2.699 443 1HG ARG 55 1HG ARG 55 10.682 -8.785 -1.946 444 2HG ARG 55 2HG ARG 55 9.276 -9.714 -2.429 445 1HD ARG 55 1HD ARG 55 9.786 -7.564 -4.353 446 2HD ARG 55 2HD ARG 55 11.222 -8.545 -4.138 447 HE ARG 55 HE ARG 55 8.643 -9.427 -5.266 448 1HH1 ARG 55 1HH1 ARG 55 9.916 -12.589 -6.015 449 2HH1 ARG 55 2HH1 ARG 55 8.597 -11.492 -6.246 450 1HH2 ARG 55 1HH2 ARG 55 11.732 -11.965 -4.712 451 2HH2 ARG 55 2HH2 ARG 55 11.767 -10.400 -3.969 452 H LEU 56 H LEU 56 10.841 -6.702 -2.569 453 HA LEU 56 HA LEU 56 12.254 -4.667 -0.995 454 1HB LEU 56 1HB LEU 56 13.224 -6.914 -2.270 455 2HB LEU 56 2HB LEU 56 13.547 -5.640 -3.430 456 HG LEU 56 HG LEU 56 15.480 -5.937 -2.048 457 1HD1 LEU 56 1HD1 LEU 56 15.437 -3.610 -0.805 458 2HD1 LEU 56 2HD1 LEU 56 15.438 -3.713 -2.583 459 3HD1 LEU 56 3HD1 LEU 56 13.917 -3.411 -1.710 460 1HD2 LEU 56 1HD2 LEU 56 13.960 -6.849 -0.100 461 2HD2 LEU 56 2HD2 LEU 56 15.545 -6.113 0.237 462 3HD2 LEU 56 3HD2 LEU 56 14.058 -5.165 0.469 463 H ILE 57 H ILE 57 9.792 -3.908 -2.011 464 HA ILE 57 HA ILE 57 9.534 -3.046 -4.535 465 HB ILE 57 HB ILE 57 7.753 -2.684 -3.115 466 1HG1 ILE 57 1HG1 ILE 57 8.970 0.050 -3.600 467 2HG1 ILE 57 2HG1 ILE 57 8.005 -0.867 -4.738 468 1HG2 ILE 57 1HG2 ILE 57 7.978 -2.345 -0.936 469 2HG2 ILE 57 2HG2 ILE 57 9.731 -2.137 -1.168 470 3HG2 ILE 57 3HG2 ILE 57 8.651 -0.722 -1.224 471 1HD1 ILE 57 1HD1 ILE 57 7.056 0.945 -2.790 472 2HD1 ILE 57 2HD1 ILE 57 6.074 -0.157 -3.785 473 3HD1 ILE 57 3HD1 ILE 57 6.623 -0.665 -2.169 474 H ALA 58 H ALA 58 10.752 -0.729 -2.025 475 HA ALA 58 HA ALA 58 12.555 0.610 -2.085 476 1HB ALA 58 1HB ALA 58 13.398 -1.282 -3.818 477 2HB ALA 58 2HB ALA 58 13.240 0.088 -4.944 478 3HB ALA 58 3HB ALA 58 14.299 0.224 -3.520 479 H HIS 59 H HIS 59 10.697 0.415 -5.193 480 HA HIS 59 HA HIS 59 9.684 3.029 -4.765 481 1HB HIS 59 1HB HIS 59 10.668 4.161 -6.638 482 2HB HIS 59 2HB HIS 59 11.945 3.590 -5.581 483 HD1 HIS 59 1HD HIS 59 12.385 4.238 -8.631 484 HD2 HIS 59 2HD HIS 59 11.706 0.415 -7.044 485 HE1 HIS 59 1HE HIS 59 13.355 2.583 -10.314 486 H ARG 60 H ARG 60 7.801 3.367 -5.990 487 HA ARG 60 HA ARG 60 7.248 2.043 -8.331 488 1HB ARG 60 1HB ARG 60 7.134 0.185 -6.328 489 2HB ARG 60 2HB ARG 60 5.496 0.798 -6.229 490 1HG ARG 60 1HG ARG 60 5.036 -0.681 -7.906 491 2HG ARG 60 2HG ARG 60 5.776 0.506 -8.963 492 1HD ARG 60 1HD ARG 60 8.035 -0.643 -8.477 493 2HD ARG 60 2HD ARG 60 7.125 -1.921 -7.695 494 HE ARG 60 HE ARG 60 5.853 -1.755 -10.113 495 1HH1 ARG 60 1HH1 ARG 60 8.095 -3.270 -12.318 496 2HH1 ARG 60 2HH1 ARG 60 6.443 -2.831 -12.041 497 1HH2 ARG 60 1HH2 ARG 60 9.710 -2.767 -10.729 498 2HH2 ARG 60 2HH2 ARG 60 9.264 -1.951 -9.268 499 H LEU 61 H LEU 61 4.629 2.055 -8.662 500 HA LEU 61 HA LEU 61 3.142 3.779 -7.018 501 1HB LEU 61 1HB LEU 61 3.119 5.794 -8.157 502 2HB LEU 61 2HB LEU 61 4.816 5.377 -8.036 503 HG LEU 61 HG LEU 61 4.063 4.296 -10.488 504 1HD1 LEU 61 1HD1 LEU 61 2.531 5.544 -11.549 505 2HD1 LEU 61 2HD1 LEU 61 1.993 5.973 -9.907 506 3HD1 LEU 61 3HD1 LEU 61 3.088 7.059 -10.798 507 1HD2 LEU 61 1HD2 LEU 61 5.595 6.690 -9.569 508 2HD2 LEU 61 2HD2 LEU 61 6.143 5.241 -10.446 509 3HD2 LEU 61 3HD2 LEU 61 5.246 6.515 -11.305 510 H ALA 62 H ALA 62 0.936 3.984 -7.787 511 HA ALA 62 HA ALA 62 0.264 2.800 -10.309 512 1HB ALA 62 1HB ALA 62 -0.256 0.717 -9.639 513 2HB ALA 62 2HB ALA 62 0.552 1.078 -8.094 514 3HB ALA 62 3HB ALA 62 -1.201 1.337 -8.265 515 H SER 63 H SER 63 -1.181 3.340 -7.010 516 HA SER 63 HA SER 63 -2.845 4.561 -6.342 517 1HB SER 63 1HB SER 63 -1.764 6.540 -7.113 518 2HB SER 63 2HB SER 63 -2.073 6.165 -8.797 519 HG SER 63 HG SER 63 -4.305 6.531 -7.037 520 H VAL 64 H VAL 64 -4.933 3.815 -6.309 521 HA VAL 64 HA VAL 64 -6.052 2.879 -8.834 522 HB VAL 64 HB VAL 64 -6.790 2.429 -5.939 523 1HG1 VAL 64 1HG1 VAL 64 -8.772 1.568 -6.525 524 2HG1 VAL 64 2HG1 VAL 64 -8.541 2.356 -8.104 525 3HG1 VAL 64 3HG1 VAL 64 -8.062 0.657 -7.878 526 1HG2 VAL 64 1HG2 VAL 64 -4.811 1.211 -6.525 527 2HG2 VAL 64 2HG2 VAL 64 -6.166 0.057 -6.510 528 3HG2 VAL 64 3HG2 VAL 64 -5.530 0.663 -8.058 529 H ASN 65 H ASN 65 -8.270 3.678 -6.270 530 HA ASN 65 HA ASN 65 -9.871 5.198 -7.804 531 1HB ASN 65 1HB ASN 65 -9.907 4.334 -5.191 532 2HB ASN 65 2HB ASN 65 -9.657 6.049 -4.930 533 1HD2 ASN 65 1HD2 ASN 65 -11.772 3.583 -6.167 534 2HD2 ASN 65 2HD2 ASN 65 -13.207 4.537 -6.338 535 H LEU 66 H LEU 66 -7.785 6.543 -5.124 536 HA LEU 66 HA LEU 66 -6.539 8.475 -6.711 537 1HB LEU 66 1HB LEU 66 -8.930 9.300 -6.767 538 2HB LEU 66 2HB LEU 66 -8.784 9.615 -5.049 539 HG LEU 66 HG LEU 66 -6.690 11.029 -5.744 540 1HD1 LEU 66 1HD1 LEU 66 -6.599 11.885 -7.916 541 2HD1 LEU 66 2HD1 LEU 66 -6.899 10.145 -8.149 542 3HD1 LEU 66 3HD1 LEU 66 -8.235 11.309 -8.317 543 1HD2 LEU 66 1HD2 LEU 66 -8.889 12.648 -6.624 544 2HD2 LEU 66 2HD2 LEU 66 -9.423 11.600 -5.288 545 3HD2 LEU 66 3HD2 LEU 66 -8.018 12.671 -5.072 546 H SER 67 H SER 67 -4.712 7.780 -5.580 547 HA SER 67 HA SER 67 -4.784 7.712 -2.743 548 1HB SER 67 1HB SER 67 -2.328 7.617 -4.541 549 2HB SER 67 2HB SER 67 -2.462 7.011 -2.903 550 HG SER 67 HG SER 67 -2.673 5.229 -4.276 551 H ARG 68 H ARG 68 -2.878 8.923 -1.520 552 HA ARG 68 HA ARG 68 -2.026 10.783 -0.828 553 1HB ARG 68 1HB ARG 68 -0.862 10.683 -3.121 554 2HB ARG 68 2HB ARG 68 -2.067 11.812 -3.707 555 1HG ARG 68 1HG ARG 68 -1.084 13.590 -2.662 556 2HG ARG 68 2HG ARG 68 -0.852 12.703 -1.169 557 1HD ARG 68 1HD ARG 68 0.956 11.494 -2.977 558 2HD ARG 68 2HD ARG 68 1.060 13.204 -3.346 559 HE ARG 68 HE ARG 68 1.105 12.961 -0.516 560 1HH1 ARG 68 1HH1 ARG 68 4.562 12.692 -0.125 561 2HH1 ARG 68 2HH1 ARG 68 3.061 13.046 0.663 562 1HH2 ARG 68 1HH2 ARG 68 4.587 12.135 -2.378 563 2HH2 ARG 68 2HH2 ARG 68 3.105 12.072 -3.271 564 H LEU 69 H LEU 69 -3.029 12.462 0.273 565 HA LEU 69 HA LEU 69 -5.645 13.247 -0.634 566 1HB LEU 69 1HB LEU 69 -5.908 14.215 1.497 567 2HB LEU 69 2HB LEU 69 -5.115 12.668 1.717 568 HG LEU 69 HG LEU 69 -2.931 14.242 1.633 569 1HD1 LEU 69 1HD1 LEU 69 -5.041 16.016 2.889 570 2HD1 LEU 69 2HD1 LEU 69 -3.292 16.334 2.785 571 3HD1 LEU 69 3HD1 LEU 69 -4.280 16.291 1.304 572 1HD2 LEU 69 1HD2 LEU 69 -4.634 13.811 4.103 573 2HD2 LEU 69 2HD2 LEU 69 -3.530 12.615 3.381 574 3HD2 LEU 69 3HD2 LEU 69 -2.883 14.129 4.058 575 HA PRO 70 HA PRO 70 -4.456 16.990 -2.422 576 1HB PRO 70 1HB PRO 70 -6.702 18.515 -2.102 577 2HB PRO 70 2HB PRO 70 -6.539 17.300 -3.353 578 1HG PRO 70 1HG PRO 70 -8.097 17.179 -0.844 579 2HG PRO 70 2HG PRO 70 -8.250 16.186 -2.279 580 1HD PRO 70 1HD PRO 70 -7.014 15.439 0.198 581 2HD PRO 70 2HD PRO 70 -7.066 14.491 -1.273 582 H TYR 71 H TYR 71 -3.192 18.719 -2.013 583 HA TYR 71 HA TYR 71 -3.371 19.631 0.774 584 1HB TYR 71 1HB TYR 71 -1.209 19.461 -1.402 585 2HB TYR 71 2HB TYR 71 -0.958 20.450 0.023 586 HD1 TYR 71 1HD TYR 71 -0.131 19.498 2.013 587 HD2 TYR 71 2HD TYR 71 -1.688 16.947 -1.048 588 HE1 TYR 71 1HE TYR 71 0.719 17.458 3.270 589 HE2 TYR 71 2HE TYR 71 -0.832 14.916 0.219 590 HH TYR 71 HH TYR 71 0.134 15.064 3.419 591 H GLU 72 H GLU 72 -3.704 21.784 1.240 592 HA GLU 72 HA GLU 72 -4.359 23.414 -1.051 593 1HB GLU 72 1HB GLU 72 -5.243 23.224 1.739 594 2HB GLU 72 2HB GLU 72 -4.879 24.882 1.301 595 1HG GLU 72 1HG GLU 72 -6.960 24.929 0.373 596 2HG GLU 72 2HG GLU 72 -6.264 24.003 -0.942 597 HA PRO 73 HA PRO 73 -0.445 25.353 -0.494 598 1HB PRO 73 1HB PRO 73 -0.424 26.733 -2.852 599 2HB PRO 73 2HB PRO 73 0.138 25.080 -2.705 600 1HG PRO 73 1HG PRO 73 -2.379 26.084 -3.885 601 2HG PRO 73 2HG PRO 73 -1.611 24.523 -4.101 602 1HD PRO 73 1HD PRO 73 -3.892 25.101 -2.460 603 2HD PRO 73 2HD PRO 73 -3.054 23.567 -2.587 604 H LYS 74 H LYS 74 -0.099 26.912 0.943 605 HA LYS 74 HA LYS 74 -1.917 28.695 1.742 606 1HB LYS 74 1HB LYS 74 0.989 28.465 1.860 607 2HB LYS 74 2HB LYS 74 0.472 30.139 1.879 608 1HG LYS 74 1HG LYS 74 -1.190 28.382 3.595 609 2HG LYS 74 2HG LYS 74 0.493 28.431 4.080 610 1HD LYS 74 1HD LYS 74 0.120 30.435 5.066 611 2HD LYS 74 2HD LYS 74 -0.193 31.128 3.486 612 1HE LYS 74 2HE LYS 74 -2.477 31.121 3.783 613 2HE LYS 74 3HE LYS 74 -2.473 29.568 4.595 614 1HZ LYS 74 1HZ LYS 74 -2.450 32.140 5.723 615 2HZ LYS 74 2HZ LYS 74 -2.705 30.701 6.453 616 3HZ LYS 74 3HZ LYS 74 -1.185 31.274 6.287 617 H LEU 75 H LEU 75 -2.610 30.814 1.236 618 HA LEU 75 HA LEU 75 -1.569 32.433 -0.712 619 1HB LEU 75 1HB LEU 75 -2.623 30.167 -1.923 620 2HB LEU 75 2HB LEU 75 -3.888 31.364 -2.108 621 HG LEU 75 HG LEU 75 -1.447 32.648 -2.787 622 1HD1 LEU 75 1HD1 LEU 75 -1.714 29.885 -3.983 623 2HD1 LEU 75 2HD1 LEU 75 -0.769 31.193 -4.733 624 3HD1 LEU 75 3HD1 LEU 75 -0.324 30.585 -3.121 625 1HD2 LEU 75 1HD2 LEU 75 -3.972 31.841 -4.171 626 2HD2 LEU 75 2HD2 LEU 75 -3.299 33.459 -3.863 627 3HD2 LEU 75 3HD2 LEU 75 -2.607 32.438 -5.146 628 H LYS 76 H LYS 76 -2.168 33.943 0.882 629 HA LYS 76 HA LYS 76 -3.522 35.200 2.125 630 1HB LYS 76 1HB LYS 76 -4.587 35.237 -0.655 631 2HB LYS 76 2HB LYS 76 -5.594 35.965 0.580 632 1HG LYS 76 1HG LYS 76 -4.179 37.738 0.862 633 2HG LYS 76 2HG LYS 76 -2.754 36.718 0.870 634 1HD LYS 76 1HD LYS 76 -2.288 37.275 -1.278 635 2HD LYS 76 2HD LYS 76 -3.856 36.699 -1.805 636 1HE LYS 76 2HE LYS 76 -3.883 39.335 -0.395 637 2HE LYS 76 3HE LYS 76 -3.059 39.327 -1.941 638 1HZ LYS 76 1HZ LYS 76 -5.521 37.919 -2.015 639 2HZ LYS 76 2HZ LYS 76 -5.721 39.481 -1.583 640 3HZ LYS 76 3HZ LYS 76 -4.978 39.111 -2.990 Start of MODEL 18 1 H MET 1 H MET 1 29.108 5.431 5.721 2 HA MET 1 HA MET 1 30.613 6.107 8.129 3 1HB MET 1 1HB MET 1 27.916 6.877 7.044 4 2HB MET 1 2HB MET 1 27.963 6.572 8.769 5 1HG MET 1 1HG MET 1 28.404 8.963 8.316 6 2HG MET 1 2HG MET 1 29.820 8.215 9.029 7 1HE MET 1 1HE MET 1 29.089 10.311 5.316 8 2HE MET 1 2HE MET 1 28.785 8.643 4.773 9 3HE MET 1 3HE MET 1 27.913 9.294 6.182 10 H LEU 2 H LEU 2 31.013 3.584 7.826 11 HA LEU 2 HA LEU 2 30.757 1.607 8.787 12 1HB LEU 2 1HB LEU 2 29.744 3.246 10.652 13 2HB LEU 2 2HB LEU 2 28.299 2.323 10.292 14 HG LEU 2 HG LEU 2 29.815 0.234 10.654 15 1HD1 LEU 2 1HD1 LEU 2 31.372 2.084 12.441 16 2HD1 LEU 2 2HD1 LEU 2 31.764 0.437 11.892 17 3HD1 LEU 2 3HD1 LEU 2 31.880 1.803 10.758 18 1HD2 LEU 2 1HD2 LEU 2 29.150 0.113 12.926 19 2HD2 LEU 2 2HD2 LEU 2 29.125 1.884 13.091 20 3HD2 LEU 2 3HD2 LEU 2 27.906 1.068 12.085 21 H LYS 3 H LYS 3 27.277 2.617 8.653 22 HA LYS 3 HA LYS 3 25.546 1.627 7.683 23 1HB LYS 3 1HB LYS 3 27.541 1.747 5.416 24 2HB LYS 3 2HB LYS 3 25.891 1.211 5.175 25 1HG LYS 3 1HG LYS 3 25.167 3.410 6.352 26 2HG LYS 3 2HG LYS 3 26.830 3.931 6.173 27 1HD LYS 3 1HD LYS 3 26.463 3.196 3.629 28 2HD LYS 3 2HD LYS 3 24.769 3.400 4.026 29 1HE LYS 3 2HE LYS 3 26.827 5.563 4.639 30 2HE LYS 3 3HE LYS 3 26.029 5.467 3.081 31 1HZ LYS 3 1HZ LYS 3 24.928 6.900 4.745 32 2HZ LYS 3 2HZ LYS 3 23.949 5.756 4.113 33 3HZ LYS 3 3HZ LYS 3 24.556 5.570 5.618 34 H ASN 4 H ASN 4 25.174 -0.243 8.858 35 HA ASN 4 HA ASN 4 25.578 -2.632 7.477 36 1HB ASN 4 1HB ASN 4 27.007 -3.776 9.246 37 2HB ASN 4 2HB ASN 4 27.873 -2.568 8.316 38 1HD2 ASN 4 1HD2 ASN 4 27.093 -3.678 11.360 39 2HD2 ASN 4 2HD2 ASN 4 27.564 -2.320 12.325 40 H LEU 5 H LEU 5 23.469 -3.316 7.944 41 HA LEU 5 HA LEU 5 22.814 -3.748 10.731 42 1HB LEU 5 1HB LEU 5 21.749 -1.549 9.195 43 2HB LEU 5 2HB LEU 5 20.468 -2.662 9.635 44 HG LEU 5 HG LEU 5 20.632 -0.935 11.298 45 1HD1 LEU 5 1HD1 LEU 5 20.573 -3.610 11.855 46 2HD1 LEU 5 2HD1 LEU 5 21.892 -3.049 12.911 47 3HD1 LEU 5 3HD1 LEU 5 20.277 -2.308 13.033 48 1HD2 LEU 5 1HD2 LEU 5 23.354 -1.693 12.222 49 2HD2 LEU 5 2HD2 LEU 5 23.239 -0.722 10.735 50 3HD2 LEU 5 3HD2 LEU 5 22.521 -0.120 12.249 51 H ALA 6 H ALA 6 21.588 -5.593 11.019 52 HA ALA 6 HA ALA 6 20.333 -6.741 8.651 53 1HB ALA 6 1HB ALA 6 21.996 -8.550 10.377 54 2HB ALA 6 2HB ALA 6 21.575 -8.690 8.653 55 3HB ALA 6 3HB ALA 6 22.827 -7.536 9.172 56 H LYS 7 H LYS 7 18.743 -5.539 10.344 57 HA LYS 7 HA LYS 7 18.145 -7.080 12.664 58 1HB LYS 7 1HB LYS 7 16.165 -5.543 12.781 59 2HB LYS 7 2HB LYS 7 17.724 -4.744 12.758 60 1HG LYS 7 1HG LYS 7 16.875 -5.102 10.020 61 2HG LYS 7 2HG LYS 7 15.528 -4.426 10.915 62 1HD LYS 7 1HD LYS 7 17.734 -2.965 11.864 63 2HD LYS 7 2HD LYS 7 18.089 -3.172 10.160 64 1HE LYS 7 2HE LYS 7 16.710 -1.382 9.830 65 2HE LYS 7 3HE LYS 7 15.396 -2.515 10.076 66 1HZ LYS 7 1HZ LYS 7 16.473 -1.595 12.526 67 2HZ LYS 7 2HZ LYS 7 15.934 -0.357 11.605 68 3HZ LYS 7 3HZ LYS 7 14.925 -1.578 12.004 69 H LEU 8 H LEU 8 17.305 -7.178 9.255 70 HA LEU 8 HA LEU 8 16.002 -8.513 8.076 71 1HB LEU 8 1HB LEU 8 17.079 -10.105 10.173 72 2HB LEU 8 2HB LEU 8 15.429 -10.631 9.901 73 HG LEU 8 HG LEU 8 16.461 -10.406 7.327 74 1HD1 LEU 8 1HD1 LEU 8 18.691 -10.467 8.998 75 2HD1 LEU 8 2HD1 LEU 8 18.515 -12.143 8.425 76 3HD1 LEU 8 3HD1 LEU 8 18.647 -10.810 7.252 77 1HD2 LEU 8 1HD2 LEU 8 16.721 -13.070 7.879 78 2HD2 LEU 8 2HD2 LEU 8 15.629 -12.535 9.179 79 3HD2 LEU 8 3HD2 LEU 8 15.193 -12.248 7.477 80 H ASP 9 H ASP 9 14.553 -6.492 8.664 81 HA ASP 9 HA ASP 9 12.024 -7.151 8.588 82 1HB ASP 9 1HB ASP 9 13.001 -7.456 11.386 83 2HB ASP 9 2HB ASP 9 11.545 -6.491 11.240 84 H GLN 10 H GLN 10 13.138 -5.088 7.473 85 HA GLN 10 HA GLN 10 12.719 -2.795 9.225 86 1HB GLN 10 1HB GLN 10 15.036 -3.172 8.192 87 2HB GLN 10 2HB GLN 10 14.315 -2.840 6.631 88 1HG GLN 10 1HG GLN 10 13.378 -0.683 8.038 89 2HG GLN 10 2HG GLN 10 14.876 -0.971 8.901 90 1HE2 GLN 10 1HE2 GLN 10 13.591 -0.838 5.584 91 2HE2 GLN 10 2HE2 GLN 10 14.931 -0.014 4.860 92 H THR 11 H THR 11 11.149 -4.638 6.972 93 HA THR 11 HA THR 11 10.113 -2.482 5.339 94 HB THR 11 HB THR 11 9.303 -5.429 5.516 95 HG1 THR 11 1HG THR 11 11.675 -4.716 5.114 96 1HG2 THR 11 1HG2 THR 11 8.633 -3.149 3.737 97 2HG2 THR 11 2HG2 THR 11 9.271 -4.561 2.862 98 3HG2 THR 11 3HG2 THR 11 7.829 -4.729 3.894 99 H GLU 12 H GLU 12 8.918 -4.703 7.930 100 HA GLU 12 HA GLU 12 6.346 -3.693 7.918 101 1HB GLU 12 1HB GLU 12 7.279 -5.822 9.044 102 2HB GLU 12 2HB GLU 12 7.780 -4.787 10.367 103 1HG GLU 12 1HG GLU 12 5.267 -3.929 10.290 104 2HG GLU 12 2HG GLU 12 4.972 -5.422 9.423 105 H MET 13 H MET 13 9.367 -2.426 9.206 106 HA MET 13 HA MET 13 8.332 -0.811 11.201 107 1HB MET 13 1HB MET 13 10.784 -1.395 10.711 108 2HB MET 13 2HB MET 13 10.735 -0.267 9.371 109 1HG MET 13 1HG MET 13 11.300 1.377 10.835 110 2HG MET 13 2HG MET 13 9.705 1.218 11.541 111 1HE MET 13 1HE MET 13 12.239 2.232 13.067 112 2HE MET 13 2HE MET 13 13.170 1.023 13.985 113 3HE MET 13 3HE MET 13 13.371 1.147 12.221 114 H ASP 14 H ASP 14 8.552 -0.405 7.661 115 HA ASP 14 HA ASP 14 7.933 2.360 7.786 116 1HB ASP 14 1HB ASP 14 9.198 1.072 5.922 117 2HB ASP 14 2HB ASP 14 7.628 0.504 5.389 118 H LYS 15 H LYS 15 6.233 -0.738 7.673 119 HA LYS 15 HA LYS 15 3.762 0.403 6.732 120 1HB LYS 15 1HB LYS 15 4.844 -2.292 7.293 121 2HB LYS 15 2HB LYS 15 3.138 -2.096 7.641 122 1HG LYS 15 1HG LYS 15 3.621 -2.820 5.265 123 2HG LYS 15 2HG LYS 15 2.664 -1.356 5.379 124 1HD LYS 15 1HD LYS 15 5.634 -0.969 5.301 125 2HD LYS 15 2HD LYS 15 4.907 -1.579 3.828 126 1HE LYS 15 2HE LYS 15 3.162 0.487 4.650 127 2HE LYS 15 3HE LYS 15 4.761 1.117 4.997 128 1HZ LYS 15 1HZ LYS 15 4.609 -0.193 2.478 129 2HZ LYS 15 2HZ LYS 15 3.598 1.085 2.582 130 3HZ LYS 15 3HZ LYS 15 5.196 1.285 2.847 131 H VAL 16 H VAL 16 5.270 -0.641 9.821 132 HA VAL 16 HA VAL 16 2.975 -0.417 11.392 133 HB VAL 16 HB VAL 16 5.709 -1.022 11.692 134 1HG1 VAL 16 1HG1 VAL 16 6.008 1.346 12.415 135 2HG1 VAL 16 2HG1 VAL 16 4.846 1.055 13.732 136 3HG1 VAL 16 3HG1 VAL 16 6.385 0.161 13.690 137 1HG2 VAL 16 1HG2 VAL 16 3.386 -1.965 12.638 138 2HG2 VAL 16 2HG2 VAL 16 4.952 -2.335 13.398 139 3HG2 VAL 16 3HG2 VAL 16 3.915 -1.057 14.075 140 H ASN 17 H ASN 17 4.889 1.967 9.751 141 HA ASN 17 HA ASN 17 4.421 4.058 11.578 142 1HB ASN 17 1HB ASN 17 6.173 3.796 9.572 143 2HB ASN 17 2HB ASN 17 4.890 4.506 8.611 144 1HD2 ASN 17 1HD2 ASN 17 6.066 5.000 11.940 145 2HD2 ASN 17 2HD2 ASN 17 6.329 6.707 11.829 146 H VAL 18 H VAL 18 3.318 3.648 8.122 147 HA VAL 18 HA VAL 18 1.278 5.473 8.197 148 HB VAL 18 HB VAL 18 1.573 2.907 6.627 149 1HG1 VAL 18 1HG1 VAL 18 -0.551 3.247 5.984 150 2HG1 VAL 18 2HG1 VAL 18 -0.600 4.881 6.688 151 3HG1 VAL 18 3HG1 VAL 18 0.087 4.632 5.065 152 1HG2 VAL 18 1HG2 VAL 18 2.416 4.386 4.849 153 2HG2 VAL 18 2HG2 VAL 18 2.251 5.787 5.936 154 3HG2 VAL 18 3HG2 VAL 18 3.414 4.494 6.319 155 H ASP 19 H ASP 19 1.405 2.138 9.436 156 HA ASP 19 HA ASP 19 -1.111 1.385 9.596 157 1HB ASP 19 1HB ASP 19 0.449 -0.020 10.666 158 2HB ASP 19 2HB ASP 19 1.145 1.290 11.599 159 H LEU 20 H LEU 20 0.532 3.674 11.907 160 HA LEU 20 HA LEU 20 -1.510 4.173 13.624 161 1HB LEU 20 1HB LEU 20 -0.384 6.134 14.219 162 2HB LEU 20 2HB LEU 20 0.848 4.996 13.712 163 HG LEU 20 HG LEU 20 0.579 6.242 11.384 164 1HD1 LEU 20 1HD1 LEU 20 -0.759 8.041 13.340 165 2HD1 LEU 20 2HD1 LEU 20 0.350 8.789 12.165 166 3HD1 LEU 20 3HD1 LEU 20 -1.033 7.824 11.593 167 1HD2 LEU 20 1HD2 LEU 20 2.143 8.025 13.010 168 2HD2 LEU 20 2HD2 LEU 20 2.383 6.346 13.551 169 3HD2 LEU 20 3HD2 LEU 20 2.677 6.784 11.851 170 H ALA 21 H ALA 21 -0.950 5.637 10.370 171 HA ALA 21 HA ALA 21 -3.213 7.338 10.558 172 1HB ALA 21 1HB ALA 21 -1.685 6.346 8.117 173 2HB ALA 21 2HB ALA 21 -2.740 7.777 8.202 174 3HB ALA 21 3HB ALA 21 -1.214 7.741 9.117 175 H ALA 22 H ALA 22 -2.585 4.449 8.432 176 HA ALA 22 HA ALA 22 -3.934 2.866 7.680 177 1HB ALA 22 1HB ALA 22 -4.376 2.436 10.066 178 2HB ALA 22 2HB ALA 22 -5.684 3.643 10.049 179 3HB ALA 22 3HB ALA 22 -5.837 2.151 9.089 180 H ALA 23 H ALA 23 -5.067 3.009 5.808 181 HA ALA 23 HA ALA 23 -7.534 4.274 5.587 182 1HB ALA 23 1HB ALA 23 -7.114 6.409 4.972 183 2HB ALA 23 2HB ALA 23 -5.505 6.162 5.695 184 3HB ALA 23 3HB ALA 23 -5.740 5.933 3.945 185 H GLY 24 H GLY 24 -7.294 1.889 4.833 186 1HA GLY 24 1HA GLY 24 -6.434 1.855 2.002 187 2HA GLY 24 2HA GLY 24 -6.377 0.479 3.084 188 H VAL 25 H VAL 25 -8.881 2.993 2.262 189 HA VAL 25 HA VAL 25 -10.706 0.760 1.697 190 HB VAL 25 HB VAL 25 -11.930 3.266 2.587 191 1HG1 VAL 25 1HG1 VAL 25 -12.933 0.896 2.223 192 2HG1 VAL 25 2HG1 VAL 25 -12.264 0.543 3.836 193 3HG1 VAL 25 3HG1 VAL 25 -13.459 1.847 3.633 194 1HG2 VAL 25 1HG2 VAL 25 -11.390 2.971 4.975 195 2HG2 VAL 25 2HG2 VAL 25 -10.226 1.694 4.549 196 3HG2 VAL 25 3HG2 VAL 25 -9.946 3.369 4.014 197 H ALA 26 H ALA 26 -10.955 4.355 1.377 198 HA ALA 26 HA ALA 26 -12.069 4.145 -1.197 199 1HB ALA 26 1HB ALA 26 -12.559 6.018 0.265 200 2HB ALA 26 2HB ALA 26 -10.837 6.462 0.343 201 3HB ALA 26 3HB ALA 26 -11.732 6.636 -1.186 202 H PHE 27 H PHE 27 -8.761 4.950 0.028 203 HA PHE 27 HA PHE 27 -7.799 5.082 -2.699 204 1HB PHE 27 1HB PHE 27 -7.173 6.194 -0.141 205 2HB PHE 27 2HB PHE 27 -5.850 5.090 -0.464 206 HD1 PHE 27 1HD PHE 27 -6.702 8.373 -0.683 207 HD2 PHE 27 2HD PHE 27 -5.115 5.296 -3.137 208 HE1 PHE 27 1HE PHE 27 -5.618 10.099 -2.146 209 HE2 PHE 27 2HE PHE 27 -4.031 7.022 -4.601 210 HZ PHE 27 HZ PHE 27 -4.296 9.404 -4.088 211 H LYS 28 H LYS 28 -8.864 2.503 -1.742 212 HA LYS 28 HA LYS 28 -6.685 0.885 -2.549 213 1HB LYS 28 1HB LYS 28 -7.286 1.105 0.372 214 2HB LYS 28 2HB LYS 28 -6.927 -0.484 -0.274 215 1HG LYS 28 1HG LYS 28 -4.936 0.960 -1.479 216 2HG LYS 28 2HG LYS 28 -5.148 1.913 -0.023 217 1HD LYS 28 1HD LYS 28 -5.183 -0.737 0.920 218 2HD LYS 28 2HD LYS 28 -3.970 -0.771 -0.345 219 1HE LYS 28 2HE LYS 28 -3.495 1.642 1.095 220 2HE LYS 28 3HE LYS 28 -3.813 0.425 2.315 221 1HZ LYS 28 1HZ LYS 28 -1.512 0.756 0.864 222 2HZ LYS 28 2HZ LYS 28 -1.847 -0.445 1.919 223 3HZ LYS 28 3HZ LYS 28 -2.161 -0.644 0.330 224 H GLU 29 H GLU 29 -9.496 1.630 -3.221 225 HA GLU 29 HA GLU 29 -11.439 0.027 -2.524 226 1HB GLU 29 1HB GLU 29 -10.628 1.302 -5.039 227 2HB GLU 29 2HB GLU 29 -11.582 -0.138 -5.335 228 1HG GLU 29 1HG GLU 29 -13.427 0.685 -4.005 229 2HG GLU 29 2HG GLU 29 -12.455 1.969 -3.316 230 H ARG 30 H ARG 30 -8.760 -0.958 -4.757 231 HA ARG 30 HA ARG 30 -7.981 -2.889 -5.328 232 1HB ARG 30 1HB ARG 30 -8.071 -3.200 -2.732 233 2HB ARG 30 2HB ARG 30 -9.465 -4.221 -3.021 234 1HG ARG 30 1HG ARG 30 -6.990 -4.759 -4.653 235 2HG ARG 30 2HG ARG 30 -6.954 -5.209 -2.960 236 1HD ARG 30 1HD ARG 30 -8.674 -6.804 -3.198 237 2HD ARG 30 2HD ARG 30 -9.365 -6.010 -4.599 238 HE ARG 30 HE ARG 30 -6.702 -6.903 -5.227 239 1HH1 ARG 30 1HH1 ARG 30 -7.686 -9.893 -6.734 240 2HH1 ARG 30 2HH1 ARG 30 -6.397 -8.752 -6.535 241 1HH2 ARG 30 1HH2 ARG 30 -9.720 -9.543 -5.674 242 2HH2 ARG 30 2HH2 ARG 30 -9.951 -8.142 -4.683 243 H TYR 31 H TYR 31 -11.172 -3.877 -3.862 244 HA TYR 31 HA TYR 31 -11.838 -5.094 -6.454 245 1HB TYR 31 1HB TYR 31 -13.236 -6.584 -5.023 246 2HB TYR 31 2HB TYR 31 -11.613 -6.546 -4.365 247 HD1 TYR 31 1HD TYR 31 -11.128 -5.254 -2.291 248 HD2 TYR 31 2HD TYR 31 -15.109 -5.680 -3.798 249 HE1 TYR 31 1HE TYR 31 -12.066 -4.532 -0.041 250 HE2 TYR 31 2HE TYR 31 -16.033 -4.955 -1.543 251 HH TYR 31 HH TYR 31 -14.524 -3.336 0.584 252 H ASN 32 H ASN 32 -12.163 -2.217 -5.838 253 HA ASN 32 HA ASN 32 -13.640 -0.637 -5.986 254 1HB ASN 32 1HB ASN 32 -14.360 -1.689 -8.068 255 2HB ASN 32 2HB ASN 32 -15.296 -2.897 -7.209 256 1HD2 ASN 32 1HD2 ASN 32 -17.310 -2.532 -7.811 257 2HD2 ASN 32 2HD2 ASN 32 -18.179 -1.042 -7.660 258 H MET 33 H MET 33 -13.565 -1.154 -3.438 259 HA MET 33 HA MET 33 -15.911 -2.347 -2.390 260 1HB MET 33 1HB MET 33 -14.922 -1.576 -0.200 261 2HB MET 33 2HB MET 33 -13.744 -2.422 -1.183 262 1HG MET 33 1HG MET 33 -12.429 -0.585 -0.769 263 2HG MET 33 2HG MET 33 -13.342 0.141 -2.077 264 1HE MET 33 1HE MET 33 -12.859 2.342 -1.413 265 2HE MET 33 2HE MET 33 -14.617 2.526 -1.627 266 3HE MET 33 3HE MET 33 -13.809 3.271 -0.227 267 HA PRO 34 HA PRO 34 -18.396 1.204 -2.146 268 1HB PRO 34 1HB PRO 34 -20.108 0.529 -0.125 269 2HB PRO 34 2HB PRO 34 -20.289 -0.052 -1.767 270 1HG PRO 34 1HG PRO 34 -19.309 -1.503 0.615 271 2HG PRO 34 2HG PRO 34 -19.893 -2.154 -0.904 272 1HD PRO 34 1HD PRO 34 -17.159 -1.950 -0.063 273 2HD PRO 34 2HD PRO 34 -17.737 -2.492 -1.625 274 H VAL 35 H VAL 35 -19.448 2.848 -0.505 275 HA VAL 35 HA VAL 35 -17.207 3.999 0.771 276 HB VAL 35 HB VAL 35 -18.961 5.586 1.643 277 1HG1 VAL 35 1HG1 VAL 35 -18.800 6.767 -0.278 278 2HG1 VAL 35 2HG1 VAL 35 -17.762 5.418 -0.798 279 3HG1 VAL 35 3HG1 VAL 35 -19.479 5.454 -1.268 280 1HG2 VAL 35 1HG2 VAL 35 -20.783 3.773 1.550 281 2HG2 VAL 35 2HG2 VAL 35 -21.218 5.412 1.007 282 3HG2 VAL 35 3HG2 VAL 35 -20.880 4.138 -0.189 283 H ILE 36 H ILE 36 -16.890 1.685 1.886 284 HA ILE 36 HA ILE 36 -17.828 2.090 4.610 285 HB ILE 36 HB ILE 36 -18.368 -0.334 2.925 286 1HG1 ILE 36 1HG1 ILE 36 -20.079 1.211 4.896 287 2HG1 ILE 36 2HG1 ILE 36 -20.095 1.440 3.159 288 1HG2 ILE 36 1HG2 ILE 36 -17.064 -0.905 5.058 289 2HG2 ILE 36 2HG2 ILE 36 -18.523 -0.388 5.936 290 3HG2 ILE 36 3HG2 ILE 36 -18.612 -1.739 4.781 291 1HD1 ILE 36 1HD1 ILE 36 -21.610 -0.436 4.633 292 2HD1 ILE 36 2HD1 ILE 36 -21.450 -0.352 2.863 293 3HD1 ILE 36 3HD1 ILE 36 -20.361 -1.398 3.805 294 H ALA 37 H ALA 37 -16.431 1.087 6.206 295 HA ALA 37 HA ALA 37 -13.762 0.615 5.091 296 1HB ALA 37 1HB ALA 37 -14.785 1.600 7.775 297 2HB ALA 37 2HB ALA 37 -13.094 1.105 7.516 298 3HB ALA 37 3HB ALA 37 -13.774 2.467 6.594 299 H GLU 38 H GLU 38 -16.467 -0.802 6.863 300 HA GLU 38 HA GLU 38 -14.869 -2.965 7.832 301 1HB GLU 38 1HB GLU 38 -17.077 -1.855 8.835 302 2HB GLU 38 2HB GLU 38 -17.888 -3.010 7.796 303 1HG GLU 38 1HG GLU 38 -16.252 -4.778 8.865 304 2HG GLU 38 2HG GLU 38 -15.990 -3.564 10.102 305 H ALA 39 H ALA 39 -15.825 -2.136 4.800 306 HA ALA 39 HA ALA 39 -16.639 -4.841 4.035 307 1HB ALA 39 1HB ALA 39 -17.228 -2.125 3.131 308 2HB ALA 39 2HB ALA 39 -16.689 -3.164 1.789 309 3HB ALA 39 3HB ALA 39 -18.083 -3.647 2.785 310 H VAL 40 H VAL 40 -14.170 -2.273 3.497 311 HA VAL 40 HA VAL 40 -12.748 -3.531 1.488 312 HB VAL 40 HB VAL 40 -12.505 -1.287 3.223 313 1HG1 VAL 40 1HG1 VAL 40 -10.787 -2.687 4.393 314 2HG1 VAL 40 2HG1 VAL 40 -9.872 -2.753 2.868 315 3HG1 VAL 40 3HG1 VAL 40 -10.141 -1.191 3.676 316 1HG2 VAL 40 1HG2 VAL 40 -10.537 -1.144 1.204 317 2HG2 VAL 40 2HG2 VAL 40 -11.879 -2.093 0.520 318 3HG2 VAL 40 3HG2 VAL 40 -12.183 -0.466 1.174 319 H GLU 41 H GLU 41 -12.752 -4.007 5.040 320 HA GLU 41 HA GLU 41 -10.540 -5.811 4.850 321 1HB GLU 41 1HB GLU 41 -11.696 -4.240 6.889 322 2HB GLU 41 2HB GLU 41 -12.026 -5.891 7.376 323 1HG GLU 41 1HG GLU 41 -9.538 -6.394 6.896 324 2HG GLU 41 2HG GLU 41 -9.307 -4.663 6.748 325 H ARG 42 H ARG 42 -14.108 -5.914 5.202 326 HA ARG 42 HA ARG 42 -14.331 -8.560 5.884 327 1HB ARG 42 1HB ARG 42 -16.247 -7.040 5.991 328 2HB ARG 42 2HB ARG 42 -16.172 -6.733 4.267 329 1HG ARG 42 1HG ARG 42 -16.388 -9.613 4.854 330 2HG ARG 42 2HG ARG 42 -17.720 -8.708 5.546 331 1HD ARG 42 1HD ARG 42 -17.920 -7.557 3.210 332 2HD ARG 42 2HD ARG 42 -16.872 -8.833 2.623 333 HE ARG 42 HE ARG 42 -18.903 -10.136 4.071 334 1HH1 ARG 42 1HH1 ARG 42 -21.298 -10.407 1.547 335 2HH1 ARG 42 2HH1 ARG 42 -20.766 -11.014 3.079 336 1HH2 ARG 42 1HH2 ARG 42 -20.120 -8.702 0.501 337 2HH2 ARG 42 2HH2 ARG 42 -18.708 -8.037 1.254 338 H GLU 43 H GLU 43 -13.732 -6.956 2.759 339 HA GLU 43 HA GLU 43 -14.123 -9.460 1.370 340 1HB GLU 43 1HB GLU 43 -13.446 -6.680 0.311 341 2HB GLU 43 2HB GLU 43 -13.778 -8.082 -0.687 342 1HG GLU 43 1HG GLU 43 -15.882 -7.658 1.331 343 2HG GLU 43 2HG GLU 43 -15.674 -6.252 0.307 344 H GLN 44 H GLN 44 -11.637 -6.873 0.869 345 HA GLN 44 HA GLN 44 -9.580 -8.766 1.545 346 1HB GLN 44 1HB GLN 44 -10.362 -8.500 -1.137 347 2HB GLN 44 2HB GLN 44 -8.954 -7.465 -1.020 348 1HG GLN 44 1HG GLN 44 -7.623 -9.296 -1.089 349 2HG GLN 44 2HG GLN 44 -8.298 -9.828 0.439 350 1HE2 GLN 44 1HE2 GLN 44 -8.937 -11.830 0.369 351 2HE2 GLN 44 2HE2 GLN 44 -9.745 -12.637 -0.934 352 HA PRO 45 HA PRO 45 -8.269 -4.803 2.959 353 1HB PRO 45 1HB PRO 45 -6.435 -5.698 4.778 354 2HB PRO 45 2HB PRO 45 -8.135 -5.493 5.152 355 1HG PRO 45 1HG PRO 45 -6.631 -7.992 4.670 356 2HG PRO 45 2HG PRO 45 -8.188 -7.780 5.447 357 1HD PRO 45 1HD PRO 45 -7.715 -8.737 2.785 358 2HD PRO 45 2HD PRO 45 -9.272 -8.415 3.522 359 H GLU 46 H GLU 46 -7.512 -4.381 0.773 360 HA GLU 46 HA GLU 46 -5.200 -5.300 -0.221 361 1HB GLU 46 1HB GLU 46 -6.647 -3.843 -1.509 362 2HB GLU 46 2HB GLU 46 -6.405 -2.509 -0.398 363 1HG GLU 46 1HG GLU 46 -3.877 -2.687 -0.997 364 2HG GLU 46 2HG GLU 46 -4.379 -3.718 -2.323 365 H HIS 47 H HIS 47 -5.638 -3.173 2.542 366 HA HIS 47 HA HIS 47 -3.008 -2.100 2.483 367 1HB HIS 47 1HB HIS 47 -3.573 -1.260 4.727 368 2HB HIS 47 2HB HIS 47 -4.785 -0.860 3.527 369 HD1 HIS 47 1HD HIS 47 -7.001 -2.487 3.554 370 HD2 HIS 47 2HD HIS 47 -4.548 -2.543 6.956 371 HE1 HIS 47 1HE HIS 47 -8.403 -3.500 5.431 372 H LEU 48 H LEU 48 -4.464 -5.115 3.463 373 HA LEU 48 HA LEU 48 -2.448 -5.757 5.392 374 1HB LEU 48 1HB LEU 48 -4.730 -7.231 4.108 375 2HB LEU 48 2HB LEU 48 -3.544 -8.075 5.084 376 HG LEU 48 HG LEU 48 -5.848 -7.011 6.035 377 1HD1 LEU 48 1HD1 LEU 48 -5.132 -7.722 8.081 378 2HD1 LEU 48 2HD1 LEU 48 -3.907 -8.502 7.053 379 3HD1 LEU 48 3HD1 LEU 48 -3.520 -6.988 7.904 380 1HD2 LEU 48 1HD2 LEU 48 -5.457 -4.981 7.243 381 2HD2 LEU 48 2HD2 LEU 48 -3.747 -4.950 6.748 382 3HD2 LEU 48 3HD2 LEU 48 -5.029 -4.703 5.538 383 H ARG 49 H ARG 49 -3.211 -6.654 1.970 384 HA ARG 49 HA ARG 49 -1.394 -8.514 1.504 385 1HB ARG 49 1HB ARG 49 -1.551 -7.940 -0.791 386 2HB ARG 49 2HB ARG 49 -3.008 -7.233 -0.123 387 1HG ARG 49 1HG ARG 49 -1.473 -5.089 0.228 388 2HG ARG 49 2HG ARG 49 -0.452 -5.848 -0.977 389 1HD ARG 49 1HD ARG 49 -3.395 -5.093 -1.305 390 2HD ARG 49 2HD ARG 49 -2.028 -4.332 -2.095 391 HE ARG 49 HE ARG 49 -2.287 -7.230 -2.583 392 1HH1 ARG 49 1HH1 ARG 49 -3.077 -6.715 -5.942 393 2HH1 ARG 49 2HH1 ARG 49 -2.643 -7.887 -4.743 394 1HH2 ARG 49 1HH2 ARG 49 -3.295 -4.480 -5.357 395 2HH2 ARG 49 2HH2 ARG 49 -3.024 -3.983 -3.719 396 H SER 50 H SER 50 -0.789 -5.023 1.999 397 HA SER 50 HA SER 50 1.945 -5.258 1.218 398 1HB SER 50 1HB SER 50 0.090 -3.088 2.072 399 2HB SER 50 2HB SER 50 1.766 -2.839 2.519 400 HG SER 50 HG SER 50 0.741 -2.261 0.195 401 H TRP 51 H TRP 51 -0.002 -5.068 4.238 402 HA TRP 51 HA TRP 51 2.325 -4.988 5.912 403 1HB TRP 51 1HB TRP 51 -0.627 -4.999 6.291 404 2HB TRP 51 2HB TRP 51 0.361 -5.577 7.618 405 HD1 TRP 51 HD TRP 51 0.944 -3.658 9.278 406 HE1 TRP 51 1HE TRP 51 1.323 -1.046 9.244 407 HE3 TRP 51 3HE TRP 51 0.269 -3.097 4.271 408 HZ2 TRP 51 2HZ TRP 51 1.298 0.916 7.173 409 HZ3 TRP 51 3HZ TRP 51 0.463 -0.799 3.322 410 HH2 TRP 51 HH TRP 51 0.960 1.167 4.687 411 H PHE 52 H PHE 52 1.093 -7.299 3.884 412 HA PHE 52 HA PHE 52 1.719 -9.473 5.756 413 1HB PHE 52 1HB PHE 52 -0.221 -9.009 3.479 414 2HB PHE 52 2HB PHE 52 0.446 -10.625 3.594 415 HD1 PHE 52 1HD PHE 52 -1.838 -11.470 3.987 416 HD2 PHE 52 2HD PHE 52 0.009 -8.757 6.678 417 HE1 PHE 52 1HE PHE 52 -3.540 -12.048 5.739 418 HE2 PHE 52 2HE PHE 52 -1.695 -9.335 8.429 419 HZ PHE 52 HZ PHE 52 -3.448 -10.973 7.938 420 H ARG 53 H ARG 53 2.046 -8.288 2.349 421 HA ARG 53 HA ARG 53 4.032 -10.305 1.885 422 1HB ARG 53 1HB ARG 53 2.166 -9.106 0.250 423 2HB ARG 53 2HB ARG 53 3.581 -8.152 -0.148 424 1HG ARG 53 1HG ARG 53 4.507 -9.854 -1.336 425 2HG ARG 53 2HG ARG 53 4.277 -10.990 -0.023 426 1HD ARG 53 1HD ARG 53 2.927 -11.888 -1.755 427 2HD ARG 53 2HD ARG 53 1.768 -11.050 -0.743 428 HE ARG 53 HE ARG 53 2.613 -9.131 -2.604 429 1HH1 ARG 53 1HH1 ARG 53 0.480 -9.902 -5.257 430 2HH1 ARG 53 2HH1 ARG 53 1.500 -8.693 -4.551 431 1HH2 ARG 53 1HH2 ARG 53 0.244 -11.967 -4.224 432 2HH2 ARG 53 2HH2 ARG 53 1.088 -12.299 -2.748 433 H GLU 54 H GLU 54 4.010 -7.403 3.473 434 HA GLU 54 HA GLU 54 5.767 -5.710 2.496 435 1HB GLU 54 1HB GLU 54 6.004 -4.921 4.650 436 2HB GLU 54 2HB GLU 54 4.666 -6.018 4.922 437 1HG GLU 54 1HG GLU 54 6.569 -7.815 5.354 438 2HG GLU 54 2HG GLU 54 7.597 -6.414 5.586 439 H ARG 55 H ARG 55 6.488 -9.016 3.581 440 HA ARG 55 HA ARG 55 9.263 -8.644 3.699 441 1HB ARG 55 1HB ARG 55 7.387 -10.733 4.235 442 2HB ARG 55 2HB ARG 55 8.496 -11.392 3.049 443 1HG ARG 55 1HG ARG 55 9.819 -11.839 4.863 444 2HG ARG 55 2HG ARG 55 10.279 -10.154 4.730 445 1HD ARG 55 1HD ARG 55 9.624 -10.199 6.966 446 2HD ARG 55 2HD ARG 55 8.098 -9.757 6.227 447 HE ARG 55 HE ARG 55 8.014 -12.518 6.184 448 1HH1 ARG 55 1HH1 ARG 55 7.157 -13.268 9.483 449 2HH1 ARG 55 2HH1 ARG 55 7.176 -13.841 7.848 450 1HH2 ARG 55 1HH2 ARG 55 7.982 -11.157 9.982 451 2HH2 ARG 55 2HH2 ARG 55 8.618 -10.155 8.721 452 H LEU 56 H LEU 56 9.805 -7.556 1.674 453 HA LEU 56 HA LEU 56 10.501 -7.465 -0.417 454 1HB LEU 56 1HB LEU 56 10.517 -10.470 -0.137 455 2HB LEU 56 2HB LEU 56 11.141 -9.623 -1.538 456 HG LEU 56 HG LEU 56 12.227 -8.687 1.047 457 1HD1 LEU 56 1HD1 LEU 56 12.713 -10.672 1.917 458 2HD1 LEU 56 2HD1 LEU 56 12.135 -11.527 0.467 459 3HD1 LEU 56 3HD1 LEU 56 13.810 -10.931 0.540 460 1HD2 LEU 56 1HD2 LEU 56 13.146 -9.133 -1.752 461 2HD2 LEU 56 2HD2 LEU 56 13.365 -7.733 -0.675 462 3HD2 LEU 56 3HD2 LEU 56 14.366 -9.191 -0.457 463 H ILE 57 H ILE 57 8.474 -6.428 -0.972 464 HA ILE 57 HA ILE 57 6.710 -8.218 -2.495 465 HB ILE 57 HB ILE 57 5.337 -7.479 -0.836 466 1HG1 ILE 57 1HG1 ILE 57 5.128 -5.266 -2.899 467 2HG1 ILE 57 2HG1 ILE 57 4.402 -6.856 -3.026 468 1HG2 ILE 57 1HG2 ILE 57 6.762 -4.804 -0.868 469 2HG2 ILE 57 2HG2 ILE 57 5.396 -5.239 0.187 470 3HG2 ILE 57 3HG2 ILE 57 6.948 -6.097 0.342 471 1HD1 ILE 57 1HD1 ILE 57 3.371 -6.225 -0.639 472 2HD1 ILE 57 2HD1 ILE 57 3.666 -4.566 -1.212 473 3HD1 ILE 57 3HD1 ILE 57 2.611 -5.656 -2.144 474 H ALA 58 H ALA 58 8.488 -5.110 -2.348 475 HA ALA 58 HA ALA 58 9.149 -3.715 -3.931 476 1HB ALA 58 1HB ALA 58 10.321 -5.447 -5.003 477 2HB ALA 58 2HB ALA 58 8.828 -6.279 -5.503 478 3HB ALA 58 3HB ALA 58 9.321 -4.772 -6.313 479 H HIS 59 H HIS 59 6.791 -2.956 -3.152 480 HA HIS 59 HA HIS 59 5.057 -2.882 -5.500 481 1HB HIS 59 1HB HIS 59 4.581 -3.213 -2.710 482 2HB HIS 59 2HB HIS 59 3.874 -1.680 -3.178 483 HD1 HIS 59 1HD HIS 59 1.599 -1.784 -4.234 484 HD2 HIS 59 2HD HIS 59 3.625 -5.451 -4.452 485 HE1 HIS 59 1HE HIS 59 -0.058 -3.460 -5.211 486 H ARG 60 H ARG 60 3.768 -0.643 -5.582 487 HA ARG 60 HA ARG 60 5.698 1.469 -5.079 488 1HB ARG 60 1HB ARG 60 4.835 0.483 -7.661 489 2HB ARG 60 2HB ARG 60 4.189 2.100 -7.463 490 1HG ARG 60 1HG ARG 60 6.916 2.105 -6.499 491 2HG ARG 60 2HG ARG 60 6.898 1.325 -8.068 492 1HD ARG 60 1HD ARG 60 6.868 3.415 -8.974 493 2HD ARG 60 2HD ARG 60 5.198 3.521 -8.453 494 HE ARG 60 HE ARG 60 6.627 4.214 -6.175 495 1HH1 ARG 60 1HH1 ARG 60 7.391 7.554 -6.841 496 2HH1 ARG 60 2HH1 ARG 60 7.217 6.349 -5.610 497 1HH2 ARG 60 1HH2 ARG 60 7.024 7.002 -9.066 498 2HH2 ARG 60 2HH2 ARG 60 6.577 5.384 -9.493 499 H LEU 61 H LEU 61 2.447 1.274 -6.701 500 HA LEU 61 HA LEU 61 1.067 2.293 -4.450 501 1HB LEU 61 1HB LEU 61 0.461 4.477 -5.384 502 2HB LEU 61 2HB LEU 61 2.153 4.351 -4.947 503 HG LEU 61 HG LEU 61 2.065 3.636 -7.661 504 1HD1 LEU 61 1HD1 LEU 61 0.002 4.454 -8.236 505 2HD1 LEU 61 2HD1 LEU 61 0.036 5.734 -7.000 506 3HD1 LEU 61 3HD1 LEU 61 1.007 5.904 -8.482 507 1HD2 LEU 61 1HD2 LEU 61 2.929 6.224 -7.686 508 2HD2 LEU 61 2HD2 LEU 61 3.147 5.792 -5.973 509 3HD2 LEU 61 3HD2 LEU 61 3.924 4.816 -7.243 510 H ALA 62 H ALA 62 -1.166 3.398 -5.695 511 HA ALA 62 HA ALA 62 -1.897 1.401 -7.712 512 1HB ALA 62 1HB ALA 62 -3.527 0.496 -6.431 513 2HB ALA 62 2HB ALA 62 -2.667 1.228 -5.055 514 3HB ALA 62 3HB ALA 62 -4.036 2.082 -5.806 515 H SER 63 H SER 63 -3.467 4.114 -5.868 516 HA SER 63 HA SER 63 -4.180 6.069 -6.551 517 1HB SER 63 1HB SER 63 -2.185 5.957 -8.222 518 2HB SER 63 2HB SER 63 -3.374 5.496 -9.424 519 HG SER 63 HG SER 63 -3.690 7.860 -7.794 520 H VAL 64 H VAL 64 -6.245 4.903 -6.040 521 HA VAL 64 HA VAL 64 -7.732 4.080 -8.416 522 HB VAL 64 HB VAL 64 -8.229 3.739 -5.453 523 1HG1 VAL 64 1HG1 VAL 64 -9.851 2.078 -7.209 524 2HG1 VAL 64 2HG1 VAL 64 -10.341 3.122 -5.853 525 3HG1 VAL 64 3HG1 VAL 64 -10.151 3.811 -7.483 526 1HG2 VAL 64 1HG2 VAL 64 -6.535 2.332 -7.150 527 2HG2 VAL 64 2HG2 VAL 64 -7.175 1.768 -5.588 528 3HG2 VAL 64 3HG2 VAL 64 -8.009 1.334 -7.099 529 H ASN 65 H ASN 65 -9.574 5.130 -5.666 530 HA ASN 65 HA ASN 65 -10.988 6.958 -7.144 531 1HB ASN 65 1HB ASN 65 -11.001 5.914 -4.468 532 2HB ASN 65 2HB ASN 65 -11.020 7.659 -4.307 533 1HD2 ASN 65 1HD2 ASN 65 -12.567 8.840 -5.727 534 2HD2 ASN 65 2HD2 ASN 65 -14.145 8.166 -5.966 535 H LEU 66 H LEU 66 -8.370 7.383 -4.653 536 HA LEU 66 HA LEU 66 -6.939 9.017 -4.263 537 1HB LEU 66 1HB LEU 66 -6.358 8.849 -6.591 538 2HB LEU 66 2HB LEU 66 -7.697 9.881 -7.054 539 HG LEU 66 HG LEU 66 -6.039 11.280 -5.156 540 1HD1 LEU 66 1HD1 LEU 66 -3.915 11.152 -5.938 541 2HD1 LEU 66 2HD1 LEU 66 -4.436 9.501 -6.350 542 3HD1 LEU 66 3HD1 LEU 66 -4.423 10.768 -7.600 543 1HD2 LEU 66 1HD2 LEU 66 -5.739 12.661 -7.428 544 2HD2 LEU 66 2HD2 LEU 66 -7.134 11.659 -7.894 545 3HD2 LEU 66 3HD2 LEU 66 -7.230 12.704 -6.457 546 H SER 67 H SER 67 -8.288 9.691 -2.492 547 HA SER 67 HA SER 67 -9.218 12.365 -2.902 548 1HB SER 67 1HB SER 67 -11.114 10.238 -1.811 549 2HB SER 67 2HB SER 67 -11.454 11.954 -1.908 550 HG SER 67 HG SER 67 -11.949 10.134 -3.776 551 H ARG 68 H ARG 68 -8.401 13.517 -1.191 552 HA ARG 68 HA ARG 68 -8.769 12.713 1.428 553 1HB ARG 68 1HB ARG 68 -6.901 11.088 0.709 554 2HB ARG 68 2HB ARG 68 -5.856 12.484 0.528 555 1HG ARG 68 1HG ARG 68 -7.212 12.597 3.109 556 2HG ARG 68 2HG ARG 68 -6.425 11.041 2.922 557 1HD ARG 68 1HD ARG 68 -4.897 13.553 2.189 558 2HD ARG 68 2HD ARG 68 -5.073 13.130 3.880 559 HE ARG 68 HE ARG 68 -4.245 10.754 2.703 560 1HH1 ARG 68 1HH1 ARG 68 -0.805 11.285 2.459 561 2HH1 ARG 68 2HH1 ARG 68 -2.066 10.098 2.497 562 1HH2 ARG 68 1HH2 ARG 68 -1.328 13.539 2.618 563 2HH2 ARG 68 2HH2 ARG 68 -2.980 14.037 2.774 564 H LEU 69 H LEU 69 -8.244 14.461 2.870 565 HA LEU 69 HA LEU 69 -6.466 16.521 2.153 566 1HB LEU 69 1HB LEU 69 -8.080 18.321 1.782 567 2HB LEU 69 2HB LEU 69 -8.071 17.129 0.498 568 HG LEU 69 HG LEU 69 -10.087 16.652 2.608 569 1HD1 LEU 69 1HD1 LEU 69 -11.628 18.386 1.730 570 2HD1 LEU 69 2HD1 LEU 69 -10.225 19.057 2.594 571 3HD1 LEU 69 3HD1 LEU 69 -10.271 19.086 0.815 572 1HD2 LEU 69 1HD2 LEU 69 -10.029 15.253 0.652 573 2HD2 LEU 69 2HD2 LEU 69 -11.513 16.235 0.616 574 3HD2 LEU 69 3HD2 LEU 69 -10.132 16.670 -0.420 575 HA PRO 70 HA PRO 70 -7.418 16.220 6.493 576 1HB PRO 70 1HB PRO 70 -4.845 16.426 7.390 577 2HB PRO 70 2HB PRO 70 -5.619 14.892 7.045 578 1HG PRO 70 1HG PRO 70 -3.585 16.339 5.461 579 2HG PRO 70 2HG PRO 70 -4.051 14.652 5.370 580 1HD PRO 70 1HD PRO 70 -4.796 16.739 3.549 581 2HD PRO 70 2HD PRO 70 -5.355 15.078 3.526 582 H TYR 71 H TYR 71 -6.787 17.654 8.454 583 HA TYR 71 HA TYR 71 -5.778 20.198 7.898 584 1HB TYR 71 1HB TYR 71 -7.900 21.446 7.759 585 2HB TYR 71 2HB TYR 71 -7.993 20.168 6.563 586 HD1 TYR 71 1HD TYR 71 -9.332 18.083 7.080 587 HD2 TYR 71 2HD TYR 71 -9.447 21.559 9.571 588 HE1 TYR 71 1HE TYR 71 -11.496 17.266 8.134 589 HE2 TYR 71 2HE TYR 71 -11.611 20.730 10.616 590 HH TYR 71 HH TYR 71 -13.561 18.738 9.375 591 H GLU 72 H GLU 72 -6.407 21.794 9.749 592 HA GLU 72 HA GLU 72 -7.087 20.252 12.121 593 1HB GLU 72 1HB GLU 72 -4.517 21.456 11.488 594 2HB GLU 72 2HB GLU 72 -5.192 22.232 12.907 595 1HG GLU 72 1HG GLU 72 -4.132 20.421 13.915 596 2HG GLU 72 2HG GLU 72 -5.723 19.730 13.661 597 HA PRO 73 HA PRO 73 -9.600 23.691 12.954 598 1HB PRO 73 1HB PRO 73 -10.024 23.413 15.639 599 2HB PRO 73 2HB PRO 73 -10.892 22.487 14.430 600 1HG PRO 73 1HG PRO 73 -8.706 21.613 16.218 601 2HG PRO 73 2HG PRO 73 -9.854 20.632 15.327 602 1HD PRO 73 1HD PRO 73 -7.106 21.099 14.651 603 2HD PRO 73 2HD PRO 73 -8.285 20.216 13.701 604 H LYS 74 H LYS 74 -7.634 23.515 15.880 605 HA LYS 74 HA LYS 74 -5.999 25.659 15.225 606 1HB LYS 74 1HB LYS 74 -8.402 26.734 15.389 607 2HB LYS 74 2HB LYS 74 -8.111 26.647 17.115 608 1HG LYS 74 1HG LYS 74 -5.722 27.652 15.795 609 2HG LYS 74 2HG LYS 74 -7.106 28.586 15.265 610 1HD LYS 74 1HD LYS 74 -7.724 28.632 17.848 611 2HD LYS 74 2HD LYS 74 -6.035 28.226 18.076 612 1HE LYS 74 2HE LYS 74 -5.304 30.236 16.912 613 2HE LYS 74 3HE LYS 74 -6.929 30.577 16.349 614 1HZ LYS 74 1HZ LYS 74 -7.258 30.441 18.994 615 2HZ LYS 74 2HZ LYS 74 -5.762 31.092 18.899 616 3HZ LYS 74 3HZ LYS 74 -7.021 31.827 18.162 617 H LEU 75 H LEU 75 -4.369 25.856 16.766 618 HA LEU 75 HA LEU 75 -3.213 25.445 18.611 619 1HB LEU 75 1HB LEU 75 -5.785 25.772 19.581 620 2HB LEU 75 2HB LEU 75 -5.293 24.235 20.264 621 HG LEU 75 HG LEU 75 -3.192 25.400 21.097 622 1HD1 LEU 75 1HD1 LEU 75 -3.155 27.795 21.257 623 2HD1 LEU 75 2HD1 LEU 75 -3.365 27.344 19.547 624 3HD1 LEU 75 3HD1 LEU 75 -4.758 27.922 20.494 625 1HD2 LEU 75 1HD2 LEU 75 -5.836 25.310 22.145 626 2HD2 LEU 75 2HD2 LEU 75 -4.287 25.331 23.021 627 3HD2 LEU 75 3HD2 LEU 75 -5.107 26.861 22.627 628 H LYS 76 H LYS 76 -1.750 23.833 18.557 629 HA LYS 76 HA LYS 76 -2.090 21.464 17.299 630 1HB LYS 76 1HB LYS 76 -0.099 20.697 18.602 631 2HB LYS 76 2HB LYS 76 0.091 22.261 17.836 632 1HG LYS 76 1HG LYS 76 0.704 23.050 19.879 633 2HG LYS 76 2HG LYS 76 -0.986 22.932 20.328 634 1HD LYS 76 1HD LYS 76 -0.624 20.600 21.134 635 2HD LYS 76 2HD LYS 76 1.058 20.684 20.650 636 1HE LYS 76 2HE LYS 76 1.063 22.869 22.202 637 2HE LYS 76 3HE LYS 76 -0.333 22.101 22.929 638 1HZ LYS 76 1HZ LYS 76 1.767 20.257 22.545 639 2HZ LYS 76 2HZ LYS 76 2.267 21.527 23.443 640 3HZ LYS 76 3HZ LYS 76 0.975 20.648 23.918 Start of MODEL 19 1 H MET 1 H MET 1 36.503 -9.790 11.041 2 HA MET 1 HA MET 1 37.653 -8.064 9.674 3 1HB MET 1 1HB MET 1 37.307 -10.899 9.280 4 2HB MET 1 2HB MET 1 37.317 -10.180 7.682 5 1HG MET 1 1HG MET 1 39.474 -9.066 8.144 6 2HG MET 1 2HG MET 1 39.447 -9.626 9.805 7 1HE MET 1 1HE MET 1 41.966 -12.113 9.285 8 2HE MET 1 2HE MET 1 42.203 -10.727 8.193 9 3HE MET 1 3HE MET 1 41.500 -10.477 9.809 10 H LEU 2 H LEU 2 34.821 -9.718 8.098 11 HA LEU 2 HA LEU 2 34.586 -7.337 6.390 12 1HB LEU 2 1HB LEU 2 34.055 -10.243 5.786 13 2HB LEU 2 2HB LEU 2 33.446 -8.936 4.791 14 HG LEU 2 HG LEU 2 36.357 -8.861 5.340 15 1HD1 LEU 2 1HD1 LEU 2 35.110 -11.296 4.404 16 2HD1 LEU 2 2HD1 LEU 2 36.174 -10.606 3.155 17 3HD1 LEU 2 3HD1 LEU 2 36.816 -10.960 4.777 18 1HD2 LEU 2 1HD2 LEU 2 34.501 -8.269 3.057 19 2HD2 LEU 2 2HD2 LEU 2 35.685 -7.216 3.867 20 3HD2 LEU 2 3HD2 LEU 2 36.242 -8.494 2.761 21 H LYS 3 H LYS 3 32.497 -6.455 6.079 22 HA LYS 3 HA LYS 3 30.821 -6.582 8.280 23 1HB LYS 3 1HB LYS 3 30.479 -5.540 5.468 24 2HB LYS 3 2HB LYS 3 29.184 -5.439 6.643 25 1HG LYS 3 1HG LYS 3 30.458 -4.044 8.113 26 2HG LYS 3 2HG LYS 3 31.973 -4.454 7.335 27 1HD LYS 3 1HD LYS 3 29.740 -2.982 5.870 28 2HD LYS 3 2HD LYS 3 30.979 -2.137 6.778 29 1HE LYS 3 2HE LYS 3 31.587 -4.121 4.535 30 2HE LYS 3 3HE LYS 3 31.475 -2.389 4.294 31 1HZ LYS 3 1HZ LYS 3 33.341 -3.710 6.140 32 2HZ LYS 3 2HZ LYS 3 33.731 -3.099 4.677 33 3HZ LYS 3 3HZ LYS 3 33.249 -2.102 5.877 34 H ASN 4 H ASN 4 28.393 -7.183 8.140 35 HA ASN 4 HA ASN 4 27.554 -9.117 6.370 36 1HB ASN 4 1HB ASN 4 29.147 -10.676 7.350 37 2HB ASN 4 2HB ASN 4 28.740 -10.176 8.980 38 1HD2 ASN 4 1HD2 ASN 4 28.214 -12.404 6.558 39 2HD2 ASN 4 2HD2 ASN 4 26.781 -13.181 7.145 40 H LEU 5 H LEU 5 25.298 -9.622 6.832 41 HA LEU 5 HA LEU 5 24.283 -8.377 9.292 42 1HB LEU 5 1HB LEU 5 23.687 -7.825 6.529 43 2HB LEU 5 2HB LEU 5 22.249 -8.405 7.344 44 HG LEU 5 HG LEU 5 23.208 -6.576 9.157 45 1HD1 LEU 5 1HD1 LEU 5 24.331 -4.864 8.244 46 2HD1 LEU 5 2HD1 LEU 5 24.765 -6.041 6.981 47 3HD1 LEU 5 3HD1 LEU 5 23.401 -4.925 6.727 48 1HD2 LEU 5 1HD2 LEU 5 21.017 -6.800 7.260 49 2HD2 LEU 5 2HD2 LEU 5 21.036 -6.163 8.921 50 3HD2 LEU 5 3HD2 LEU 5 21.473 -5.105 7.557 51 H ALA 6 H ALA 6 22.077 -9.310 9.940 52 HA ALA 6 HA ALA 6 21.354 -11.859 8.977 53 1HB ALA 6 1HB ALA 6 23.340 -11.689 11.194 54 2HB ALA 6 2HB ALA 6 21.984 -12.818 11.433 55 3HB ALA 6 3HB ALA 6 23.047 -12.992 10.017 56 H LYS 7 H LYS 7 19.349 -10.670 8.931 57 HA LYS 7 HA LYS 7 17.810 -11.025 11.243 58 1HB LYS 7 1HB LYS 7 19.336 -8.821 11.591 59 2HB LYS 7 2HB LYS 7 17.979 -8.098 10.750 60 1HG LYS 7 1HG LYS 7 16.979 -9.970 12.738 61 2HG LYS 7 2HG LYS 7 18.121 -8.881 13.500 62 1HD LYS 7 1HD LYS 7 16.885 -6.918 12.637 63 2HD LYS 7 2HD LYS 7 15.792 -7.960 11.748 64 1HE LYS 7 2HE LYS 7 15.202 -9.045 14.030 65 2HE LYS 7 3HE LYS 7 16.059 -7.710 14.774 66 1HZ LYS 7 1HZ LYS 7 14.084 -7.057 12.764 67 2HZ LYS 7 2HZ LYS 7 13.532 -7.575 14.211 68 3HZ LYS 7 3HZ LYS 7 14.485 -6.252 14.127 69 H LEU 8 H LEU 8 18.090 -8.688 8.468 70 HA LEU 8 HA LEU 8 16.582 -8.103 6.940 71 1HB LEU 8 1HB LEU 8 17.526 -10.509 6.394 72 2HB LEU 8 2HB LEU 8 15.853 -10.981 6.614 73 HG LEU 8 HG LEU 8 16.208 -8.642 4.857 74 1HD1 LEU 8 1HD1 LEU 8 17.866 -9.406 3.592 75 2HD1 LEU 8 2HD1 LEU 8 17.917 -10.949 4.476 76 3HD1 LEU 8 3HD1 LEU 8 16.797 -10.744 3.108 77 1HD2 LEU 8 1HD2 LEU 8 14.051 -9.512 4.923 78 2HD2 LEU 8 2HD2 LEU 8 14.714 -10.171 3.408 79 3HD2 LEU 8 3HD2 LEU 8 14.618 -11.198 4.859 80 H ASP 9 H ASP 9 15.108 -6.925 8.238 81 HA ASP 9 HA ASP 9 12.513 -7.878 8.127 82 1HB ASP 9 1HB ASP 9 13.965 -8.191 10.756 83 2HB ASP 9 2HB ASP 9 12.289 -7.682 10.802 84 H GLN 10 H GLN 10 13.500 -5.567 7.169 85 HA GLN 10 HA GLN 10 12.946 -3.571 9.221 86 1HB GLN 10 1HB GLN 10 15.225 -3.784 7.741 87 2HB GLN 10 2HB GLN 10 14.288 -2.757 6.674 88 1HG GLN 10 1HG GLN 10 15.258 -1.130 8.025 89 2HG GLN 10 2HG GLN 10 13.774 -1.402 8.916 90 1HE2 GLN 10 1HE2 GLN 10 13.809 -2.263 10.909 91 2HE2 GLN 10 2HE2 GLN 10 15.238 -2.699 11.787 92 H THR 11 H THR 11 11.889 -5.056 6.269 93 HA THR 11 HA THR 11 10.537 -2.886 5.094 94 HB THR 11 HB THR 11 10.349 -5.926 4.976 95 HG1 THR 11 1HG THR 11 11.999 -5.207 3.660 96 1HG2 THR 11 1HG2 THR 11 9.098 -4.594 2.721 97 2HG2 THR 11 2HG2 THR 11 8.401 -5.834 3.790 98 3HG2 THR 11 3HG2 THR 11 8.254 -4.111 4.211 99 H GLU 12 H GLU 12 9.799 -4.948 7.864 100 HA GLU 12 HA GLU 12 7.043 -4.234 7.816 101 1HB GLU 12 1HB GLU 12 8.051 -6.409 8.747 102 2HB GLU 12 2HB GLU 12 8.599 -5.471 10.122 103 1HG GLU 12 1HG GLU 12 6.113 -4.672 10.321 104 2HG GLU 12 2HG GLU 12 5.737 -5.998 9.238 105 H MET 13 H MET 13 9.909 -2.623 8.645 106 HA MET 13 HA MET 13 8.890 -1.282 10.942 107 1HB MET 13 1HB MET 13 11.412 -1.741 9.791 108 2HB MET 13 2HB MET 13 11.154 -0.041 9.453 109 1HG MET 13 1HG MET 13 10.333 -0.204 12.102 110 2HG MET 13 2HG MET 13 11.613 -1.400 12.062 111 1HE MET 13 1HE MET 13 13.101 -0.646 13.367 112 2HE MET 13 2HE MET 13 14.347 0.571 12.998 113 3HE MET 13 3HE MET 13 12.891 1.036 13.910 114 H ASP 14 H ASP 14 9.205 -0.661 7.424 115 HA ASP 14 HA ASP 14 8.641 2.048 7.533 116 1HB ASP 14 1HB ASP 14 9.548 0.796 5.547 117 2HB ASP 14 2HB ASP 14 7.988 0.027 5.336 118 H LYS 15 H LYS 15 6.639 -0.926 7.483 119 HA LYS 15 HA LYS 15 4.192 0.509 7.044 120 1HB LYS 15 1HB LYS 15 5.079 -2.295 7.193 121 2HB LYS 15 2HB LYS 15 3.495 -2.016 7.887 122 1HG LYS 15 1HG LYS 15 3.612 -2.524 5.342 123 2HG LYS 15 2HG LYS 15 2.596 -1.190 5.851 124 1HD LYS 15 1HD LYS 15 5.423 -0.421 5.333 125 2HD LYS 15 2HD LYS 15 4.585 -1.031 3.920 126 1HE LYS 15 2HE LYS 15 3.301 0.847 3.745 127 2HE LYS 15 3HE LYS 15 2.884 0.820 5.446 128 1HZ LYS 15 1HZ LYS 15 5.568 1.632 4.667 129 2HZ LYS 15 2HZ LYS 15 4.340 2.696 4.508 130 3HZ LYS 15 3HZ LYS 15 4.695 2.074 5.975 131 H VAL 16 H VAL 16 5.888 -1.107 9.797 132 HA VAL 16 HA VAL 16 3.985 -0.872 11.718 133 HB VAL 16 HB VAL 16 6.863 -1.143 11.549 134 1HG1 VAL 16 1HG1 VAL 16 5.735 0.526 13.801 135 2HG1 VAL 16 2HG1 VAL 16 7.195 -0.470 14.015 136 3HG1 VAL 16 3HG1 VAL 16 7.172 0.825 12.795 137 1HG2 VAL 16 1HG2 VAL 16 6.196 -2.383 13.833 138 2HG2 VAL 16 2HG2 VAL 16 4.573 -2.235 13.116 139 3HG2 VAL 16 3HG2 VAL 16 5.866 -3.079 12.228 140 H ASN 17 H ASN 17 5.960 1.680 10.214 141 HA ASN 17 HA ASN 17 5.467 3.612 12.157 142 1HB ASN 17 1HB ASN 17 7.165 3.569 10.130 143 2HB ASN 17 2HB ASN 17 5.839 4.230 9.196 144 1HD2 ASN 17 1HD2 ASN 17 7.023 4.698 12.526 145 2HD2 ASN 17 2HD2 ASN 17 7.182 6.422 12.460 146 H VAL 18 H VAL 18 4.179 3.368 8.746 147 HA VAL 18 HA VAL 18 2.132 5.194 9.072 148 HB VAL 18 HB VAL 18 2.249 2.780 7.251 149 1HG1 VAL 18 1HG1 VAL 18 1.028 4.896 5.910 150 2HG1 VAL 18 2HG1 VAL 18 0.220 3.467 6.598 151 3HG1 VAL 18 3HG1 VAL 18 0.338 4.967 7.549 152 1HG2 VAL 18 1HG2 VAL 18 4.270 3.957 6.898 153 2HG2 VAL 18 2HG2 VAL 18 3.173 4.507 5.608 154 3HG2 VAL 18 3HG2 VAL 18 3.467 5.541 7.026 155 H ASP 19 H ASP 19 2.510 2.001 10.379 156 HA ASP 19 HA ASP 19 0.157 0.859 10.444 157 1HB ASP 19 1HB ASP 19 2.284 0.333 11.815 158 2HB ASP 19 2HB ASP 19 1.665 1.429 13.033 159 H LEU 20 H LEU 20 1.160 3.618 12.602 160 HA LEU 20 HA LEU 20 -1.166 3.890 14.031 161 1HB LEU 20 1HB LEU 20 1.054 5.711 13.227 162 2HB LEU 20 2HB LEU 20 -0.375 6.418 13.954 163 HG LEU 20 HG LEU 20 0.027 4.542 15.788 164 1HD1 LEU 20 1HD1 LEU 20 2.788 4.931 14.600 165 2HD1 LEU 20 2HD1 LEU 20 2.446 4.187 16.181 166 3HD1 LEU 20 3HD1 LEU 20 1.857 3.415 14.688 167 1HD2 LEU 20 1HD2 LEU 20 0.412 7.268 15.628 168 2HD2 LEU 20 2HD2 LEU 20 0.505 6.280 17.105 169 3HD2 LEU 20 3HD2 LEU 20 1.988 6.674 16.204 170 H ALA 21 H ALA 21 -0.274 5.357 10.842 171 HA ALA 21 HA ALA 21 -2.809 6.634 10.592 172 1HB ALA 21 1HB ALA 21 -1.757 6.620 8.080 173 2HB ALA 21 2HB ALA 21 -1.285 7.783 9.342 174 3HB ALA 21 3HB ALA 21 -0.287 6.341 9.042 175 H ALA 22 H ALA 22 -1.483 4.527 8.023 176 HA ALA 22 HA ALA 22 -2.300 2.737 6.995 177 1HB ALA 22 1HB ALA 22 -4.513 1.899 8.595 178 2HB ALA 22 2HB ALA 22 -2.895 1.166 8.484 179 3HB ALA 22 3HB ALA 22 -3.220 2.422 9.702 180 H ALA 23 H ALA 23 -4.242 2.046 5.695 181 HA ALA 23 HA ALA 23 -6.120 4.297 5.444 182 1HB ALA 23 1HB ALA 23 -4.870 2.549 3.285 183 2HB ALA 23 2HB ALA 23 -6.132 3.773 3.007 184 3HB ALA 23 3HB ALA 23 -4.525 4.270 3.588 185 H GLY 24 H GLY 24 -7.928 3.171 3.670 186 1HA GLY 24 1HA GLY 24 -8.694 0.549 4.683 187 2HA GLY 24 2HA GLY 24 -9.752 1.880 5.110 188 H VAL 25 H VAL 25 -10.790 3.153 3.377 189 HA VAL 25 HA VAL 25 -11.065 1.532 0.947 190 HB VAL 25 HB VAL 25 -13.018 3.650 1.705 191 1HG1 VAL 25 1HG1 VAL 25 -12.945 1.125 0.131 192 2HG1 VAL 25 2HG1 VAL 25 -14.470 1.503 0.969 193 3HG1 VAL 25 3HG1 VAL 25 -13.783 2.662 -0.196 194 1HG2 VAL 25 1HG2 VAL 25 -14.196 2.236 3.267 195 2HG2 VAL 25 2HG2 VAL 25 -13.012 0.926 3.042 196 3HG2 VAL 25 3HG2 VAL 25 -12.521 2.441 3.835 197 H ALA 26 H ALA 26 -9.757 4.429 2.268 198 HA ALA 26 HA ALA 26 -10.109 6.406 0.532 199 1HB ALA 26 1HB ALA 26 -7.373 5.447 1.460 200 2HB ALA 26 2HB ALA 26 -7.841 7.112 1.039 201 3HB ALA 26 3HB ALA 26 -8.530 6.332 2.483 202 H PHE 27 H PHE 27 -8.392 3.336 -0.114 203 HA PHE 27 HA PHE 27 -7.145 4.048 -2.475 204 1HB PHE 27 1HB PHE 27 -8.151 1.615 -1.038 205 2HB PHE 27 2HB PHE 27 -7.980 1.382 -2.766 206 HD1 PHE 27 1HD PHE 27 -5.912 3.268 -0.289 207 HD2 PHE 27 2HD PHE 27 -6.075 0.146 -3.158 208 HE1 PHE 27 1HE PHE 27 -3.452 2.865 0.009 209 HE2 PHE 27 2HE PHE 27 -3.616 -0.257 -2.860 210 HZ PHE 27 HZ PHE 27 -2.334 1.108 -1.280 211 H LYS 28 H LYS 28 -10.442 2.629 -1.930 212 HA LYS 28 HA LYS 28 -12.295 2.813 -3.135 213 1HB LYS 28 1HB LYS 28 -11.096 5.165 -3.728 214 2HB LYS 28 2HB LYS 28 -11.143 4.455 -5.329 215 1HG LYS 28 1HG LYS 28 -13.232 5.523 -5.224 216 2HG LYS 28 2HG LYS 28 -13.650 3.884 -4.763 217 1HD LYS 28 1HD LYS 28 -13.318 4.618 -2.313 218 2HD LYS 28 2HD LYS 28 -13.214 6.264 -2.905 219 1HE LYS 28 2HE LYS 28 -15.477 6.078 -3.909 220 2HE LYS 28 3HE LYS 28 -15.581 4.398 -3.420 221 1HZ LYS 28 1HZ LYS 28 -16.219 5.040 -1.429 222 2HZ LYS 28 2HZ LYS 28 -14.916 6.001 -1.219 223 3HZ LYS 28 3HZ LYS 28 -16.259 6.593 -1.934 224 H GLU 29 H GLU 29 -9.494 1.290 -3.878 225 HA GLU 29 HA GLU 29 -10.710 0.049 -6.222 226 1HB GLU 29 1HB GLU 29 -7.911 -0.519 -6.202 227 2HB GLU 29 2HB GLU 29 -8.807 0.440 -7.364 228 1HG GLU 29 1HG GLU 29 -8.556 2.452 -5.891 229 2HG GLU 29 2HG GLU 29 -7.651 1.492 -4.737 230 H ARG 30 H ARG 30 -9.806 -0.262 -2.956 231 HA ARG 30 HA ARG 30 -8.636 -2.543 -2.528 232 1HB ARG 30 1HB ARG 30 -11.298 -1.697 -1.276 233 2HB ARG 30 2HB ARG 30 -10.246 -2.923 -0.595 234 1HG ARG 30 1HG ARG 30 -8.771 -0.451 -1.214 235 2HG ARG 30 2HG ARG 30 -10.107 -0.149 -0.121 236 1HD ARG 30 1HD ARG 30 -7.795 -0.845 0.902 237 2HD ARG 30 2HD ARG 30 -9.247 -1.579 1.553 238 HE ARG 30 HE ARG 30 -8.494 -3.641 0.769 239 1HH1 ARG 30 1HH1 ARG 30 -6.064 -4.473 -1.593 240 2HH1 ARG 30 2HH1 ARG 30 -7.168 -5.084 -0.407 241 1HH2 ARG 30 1HH2 ARG 30 -5.931 -2.190 -1.989 242 2HH2 ARG 30 2HH2 ARG 30 -6.935 -1.097 -1.097 243 H TYR 31 H TYR 31 -8.777 -4.211 -4.087 244 HA TYR 31 HA TYR 31 -9.709 -5.779 -5.388 245 1HB TYR 31 1HB TYR 31 -10.850 -7.446 -3.955 246 2HB TYR 31 2HB TYR 31 -9.640 -6.652 -2.968 247 HD1 TYR 31 1HD TYR 31 -10.308 -5.010 -1.234 248 HD2 TYR 31 2HD TYR 31 -13.217 -7.162 -3.517 249 HE1 TYR 31 1HE TYR 31 -12.103 -4.391 0.456 250 HE2 TYR 31 2HE TYR 31 -15.002 -6.536 -1.819 251 HH TYR 31 HH TYR 31 -15.366 -4.712 -0.182 252 H ASN 32 H ASN 32 -11.059 -3.192 -5.659 253 HA ASN 32 HA ASN 32 -12.796 -2.373 -6.666 254 1HB ASN 32 1HB ASN 32 -12.788 -4.287 -8.203 255 2HB ASN 32 2HB ASN 32 -13.577 -5.310 -7.020 256 1HD2 ASN 32 1HD2 ASN 32 -14.020 -2.152 -8.608 257 2HD2 ASN 32 2HD2 ASN 32 -15.718 -2.296 -8.915 258 H MET 33 H MET 33 -13.002 -2.051 -4.035 259 HA MET 33 HA MET 33 -15.231 -3.405 -2.909 260 1HB MET 33 1HB MET 33 -13.575 -2.761 -1.325 261 2HB MET 33 2HB MET 33 -13.304 -1.208 -2.090 262 1HG MET 33 1HG MET 33 -14.660 -0.304 -0.503 263 2HG MET 33 2HG MET 33 -16.004 -1.077 -1.319 264 1HE MET 33 1HE MET 33 -17.329 -1.103 0.393 265 2HE MET 33 2HE MET 33 -17.622 -2.847 0.589 266 3HE MET 33 3HE MET 33 -17.160 -1.860 1.996 267 HA PRO 34 HA PRO 34 -18.266 -0.581 -4.219 268 1HB PRO 34 1HB PRO 34 -20.320 -1.303 -2.568 269 2HB PRO 34 2HB PRO 34 -19.921 -2.171 -4.036 270 1HG PRO 34 1HG PRO 34 -19.398 -2.939 -1.230 271 2HG PRO 34 2HG PRO 34 -19.401 -3.949 -2.662 272 1HD PRO 34 1HD PRO 34 -17.100 -2.966 -1.259 273 2HD PRO 34 2HD PRO 34 -17.105 -3.878 -2.755 274 H VAL 35 H VAL 35 -20.166 0.865 -3.086 275 HA VAL 35 HA VAL 35 -18.620 2.824 -1.751 276 HB VAL 35 HB VAL 35 -20.810 3.970 -1.541 277 1HG1 VAL 35 1HG1 VAL 35 -19.301 3.443 -3.829 278 2HG1 VAL 35 2HG1 VAL 35 -20.987 3.186 -4.342 279 3HG1 VAL 35 3HG1 VAL 35 -20.502 4.739 -3.619 280 1HG2 VAL 35 1HG2 VAL 35 -21.942 1.507 -1.531 281 2HG2 VAL 35 2HG2 VAL 35 -22.818 3.001 -1.945 282 3HG2 VAL 35 3HG2 VAL 35 -22.180 1.956 -3.237 283 H ILE 36 H ILE 36 -17.961 0.832 -0.188 284 HA ILE 36 HA ILE 36 -19.399 1.413 2.260 285 HB ILE 36 HB ILE 36 -19.206 -1.324 1.030 286 1HG1 ILE 36 1HG1 ILE 36 -21.520 0.145 2.325 287 2HG1 ILE 36 2HG1 ILE 36 -21.213 0.101 0.601 288 1HG2 ILE 36 1HG2 ILE 36 -18.276 -1.250 3.403 289 2HG2 ILE 36 2HG2 ILE 36 -19.927 -0.831 3.920 290 3HG2 ILE 36 3HG2 ILE 36 -19.618 -2.376 3.092 291 1HD1 ILE 36 1HD1 ILE 36 -21.365 -2.391 0.631 292 2HD1 ILE 36 2HD1 ILE 36 -21.699 -2.334 2.378 293 3HD1 ILE 36 3HD1 ILE 36 -22.859 -1.629 1.227 294 H ALA 37 H ALA 37 -18.126 0.843 4.187 295 HA ALA 37 HA ALA 37 -15.276 0.585 3.510 296 1HB ALA 37 1HB ALA 37 -14.851 1.998 5.494 297 2HB ALA 37 2HB ALA 37 -15.875 2.840 4.305 298 3HB ALA 37 3HB ALA 37 -16.605 2.136 5.768 299 H GLU 38 H GLU 38 -18.061 -0.656 5.192 300 HA GLU 38 HA GLU 38 -16.577 -1.999 7.198 301 1HB GLU 38 1HB GLU 38 -19.060 -1.269 7.260 302 2HB GLU 38 2HB GLU 38 -19.393 -2.678 6.273 303 1HG GLU 38 1HG GLU 38 -18.388 -4.156 8.000 304 2HG GLU 38 2HG GLU 38 -17.971 -2.762 8.976 305 H ALA 39 H ALA 39 -17.014 -2.463 3.842 306 HA ALA 39 HA ALA 39 -16.678 -5.363 4.070 307 1HB ALA 39 1HB ALA 39 -18.067 -5.401 2.306 308 2HB ALA 39 2HB ALA 39 -18.133 -3.622 2.312 309 3HB ALA 39 3HB ALA 39 -16.887 -4.464 1.359 310 H VAL 40 H VAL 40 -14.993 -2.372 3.569 311 HA VAL 40 HA VAL 40 -12.962 -3.334 1.860 312 HB VAL 40 HB VAL 40 -13.621 -0.933 3.387 313 1HG1 VAL 40 1HG1 VAL 40 -11.374 -0.043 3.599 314 2HG1 VAL 40 2HG1 VAL 40 -11.504 -1.552 4.535 315 3HG1 VAL 40 3HG1 VAL 40 -10.679 -1.550 2.957 316 1HG2 VAL 40 1HG2 VAL 40 -13.755 -0.349 1.228 317 2HG2 VAL 40 2HG2 VAL 40 -11.978 -0.249 1.255 318 3HG2 VAL 40 3HG2 VAL 40 -12.777 -1.740 0.704 319 H GLU 41 H GLU 41 -13.609 -3.527 5.341 320 HA GLU 41 HA GLU 41 -10.925 -4.522 5.768 321 1HB GLU 41 1HB GLU 41 -12.891 -3.122 7.379 322 2HB GLU 41 2HB GLU 41 -12.451 -4.616 8.182 323 1HG GLU 41 1HG GLU 41 -10.590 -3.538 8.920 324 2HG GLU 41 2HG GLU 41 -9.982 -3.650 7.280 325 H ARG 42 H ARG 42 -14.365 -5.505 5.761 326 HA ARG 42 HA ARG 42 -13.958 -7.984 6.944 327 1HB ARG 42 1HB ARG 42 -16.226 -8.296 6.554 328 2HB ARG 42 2HB ARG 42 -16.160 -6.568 6.275 329 1HG ARG 42 1HG ARG 42 -15.739 -7.077 3.798 330 2HG ARG 42 2HG ARG 42 -16.064 -8.762 4.156 331 1HD ARG 42 1HD ARG 42 -18.087 -6.710 5.065 332 2HD ARG 42 2HD ARG 42 -18.019 -7.097 3.357 333 HE ARG 42 HE ARG 42 -18.034 -9.522 4.930 334 1HH1 ARG 42 1HH1 ARG 42 -21.449 -10.121 4.537 335 2HH1 ARG 42 2HH1 ARG 42 -19.925 -10.802 5.001 336 1HH2 ARG 42 1HH2 ARG 42 -21.569 -7.909 3.844 337 2HH2 ARG 42 2HH2 ARG 42 -20.134 -6.939 3.790 338 H GLU 43 H GLU 43 -13.626 -6.746 3.616 339 HA GLU 43 HA GLU 43 -13.409 -9.394 2.542 340 1HB GLU 43 1HB GLU 43 -13.195 -6.606 1.351 341 2HB GLU 43 2HB GLU 43 -12.831 -8.037 0.407 342 1HG GLU 43 1HG GLU 43 -15.463 -7.685 1.908 343 2HG GLU 43 2HG GLU 43 -15.245 -7.161 0.249 344 H GLN 44 H GLN 44 -11.233 -6.553 1.976 345 HA GLN 44 HA GLN 44 -9.044 -7.891 3.189 346 1HB GLN 44 1HB GLN 44 -9.541 -8.587 0.522 347 2HB GLN 44 2HB GLN 44 -8.313 -7.344 0.385 348 1HG GLN 44 1HG GLN 44 -8.136 -9.878 2.078 349 2HG GLN 44 2HG GLN 44 -7.245 -9.551 0.605 350 1HE2 GLN 44 1HE2 GLN 44 -6.133 -10.207 3.117 351 2HE2 GLN 44 2HE2 GLN 44 -5.160 -8.886 3.671 352 HA PRO 45 HA PRO 45 -8.555 -3.480 3.293 353 1HB PRO 45 1HB PRO 45 -7.252 -3.370 5.694 354 2HB PRO 45 2HB PRO 45 -8.997 -3.308 5.547 355 1HG PRO 45 1HG PRO 45 -7.293 -5.552 6.440 356 2HG PRO 45 2HG PRO 45 -9.012 -5.316 6.682 357 1HD PRO 45 1HD PRO 45 -7.773 -7.080 4.790 358 2HD PRO 45 2HD PRO 45 -9.487 -6.757 4.956 359 H GLU 46 H GLU 46 -7.031 -2.145 2.461 360 HA GLU 46 HA GLU 46 -4.846 -3.339 1.335 361 1HB GLU 46 1HB GLU 46 -5.821 -1.138 0.664 362 2HB GLU 46 2HB GLU 46 -5.179 -0.410 2.123 363 1HG GLU 46 1HG GLU 46 -3.037 -1.836 0.788 364 2HG GLU 46 2HG GLU 46 -3.842 -0.814 -0.386 365 H HIS 47 H HIS 47 -5.040 -1.346 4.366 366 HA HIS 47 HA HIS 47 -2.417 -1.336 5.045 367 1HB HIS 47 1HB HIS 47 -3.097 -0.690 7.150 368 2HB HIS 47 2HB HIS 47 -4.500 -0.294 6.178 369 HD1 HIS 47 1HD HIS 47 -6.665 -1.718 6.525 370 HD2 HIS 47 2HD HIS 47 -3.457 -2.806 9.000 371 HE1 HIS 47 1HE HIS 47 -7.636 -3.247 8.322 372 H LEU 48 H LEU 48 -4.586 -4.071 4.847 373 HA LEU 48 HA LEU 48 -2.944 -5.711 6.566 374 1HB LEU 48 1HB LEU 48 -5.610 -5.777 5.470 375 2HB LEU 48 2HB LEU 48 -4.781 -7.283 5.129 376 HG LEU 48 HG LEU 48 -5.907 -7.638 7.155 377 1HD1 LEU 48 1HD1 LEU 48 -3.372 -8.187 7.041 378 2HD1 LEU 48 2HD1 LEU 48 -3.209 -6.887 8.247 379 3HD1 LEU 48 3HD1 LEU 48 -4.224 -8.306 8.600 380 1HD2 LEU 48 1HD2 LEU 48 -4.844 -5.551 8.864 381 2HD2 LEU 48 2HD2 LEU 48 -5.737 -4.870 7.484 382 3HD2 LEU 48 3HD2 LEU 48 -6.530 -6.040 8.567 383 H ARG 49 H ARG 49 -4.063 -5.992 3.116 384 HA ARG 49 HA ARG 49 -2.286 -7.878 2.382 385 1HB ARG 49 1HB ARG 49 -2.680 -7.144 0.070 386 2HB ARG 49 2HB ARG 49 -4.171 -6.990 0.976 387 1HG ARG 49 1HG ARG 49 -4.200 -4.872 0.094 388 2HG ARG 49 2HG ARG 49 -3.122 -4.507 1.426 389 1HD ARG 49 1HD ARG 49 -2.220 -3.686 -0.759 390 2HD ARG 49 2HD ARG 49 -1.146 -4.845 -0.003 391 HE ARG 49 HE ARG 49 -2.839 -6.372 -1.647 392 1HH1 ARG 49 1HH1 ARG 49 -1.110 -6.087 -4.664 393 2HH1 ARG 49 2HH1 ARG 49 -2.279 -7.002 -3.770 394 1HH2 ARG 49 1HH2 ARG 49 -0.112 -4.225 -3.704 395 2HH2 ARG 49 2HH2 ARG 49 -0.536 -3.749 -2.094 396 H SER 50 H SER 50 -1.797 -4.370 2.813 397 HA SER 50 HA SER 50 0.659 -4.287 1.446 398 1HB SER 50 1HB SER 50 -0.302 -2.178 1.606 399 2HB SER 50 2HB SER 50 -0.918 -2.456 3.224 400 HG SER 50 HG SER 50 1.305 -1.125 2.534 401 H TRP 51 H TRP 51 -0.345 -4.584 4.909 402 HA TRP 51 HA TRP 51 2.350 -4.642 5.849 403 1HB TRP 51 1HB TRP 51 -0.372 -4.917 7.026 404 2HB TRP 51 2HB TRP 51 0.973 -5.599 7.920 405 HD1 TRP 51 HD TRP 51 1.876 -3.887 9.660 406 HE1 TRP 51 1HE TRP 51 2.173 -1.277 9.911 407 HE3 TRP 51 3HE TRP 51 -0.055 -2.698 5.108 408 HZ2 TRP 51 2HZ TRP 51 1.581 0.943 8.217 409 HZ3 TRP 51 3HZ TRP 51 -0.159 -0.287 4.484 410 HH2 TRP 51 HH TRP 51 0.619 1.504 5.955 411 H PHE 52 H PHE 52 0.446 -6.766 4.039 412 HA PHE 52 HA PHE 52 1.607 -9.138 5.291 413 1HB PHE 52 1HB PHE 52 -0.806 -8.370 3.711 414 2HB PHE 52 2HB PHE 52 -0.063 -9.839 3.112 415 HD1 PHE 52 1HD PHE 52 -1.180 -11.705 3.852 416 HD2 PHE 52 2HD PHE 52 -0.674 -8.456 6.534 417 HE1 PHE 52 1HE PHE 52 -2.323 -13.019 5.659 418 HE2 PHE 52 2HE PHE 52 -1.817 -9.769 8.341 419 HZ PHE 52 HZ PHE 52 -2.627 -12.036 7.882 420 H ARG 53 H ARG 53 1.348 -7.342 2.169 421 HA ARG 53 HA ARG 53 3.148 -9.222 0.966 422 1HB ARG 53 1HB ARG 53 1.099 -7.548 0.006 423 2HB ARG 53 2HB ARG 53 2.557 -6.761 -0.566 424 1HG ARG 53 1HG ARG 53 3.001 -8.415 -2.080 425 2HG ARG 53 2HG ARG 53 2.661 -9.689 -0.925 426 1HD ARG 53 1HD ARG 53 0.535 -8.073 -2.415 427 2HD ARG 53 2HD ARG 53 1.051 -9.689 -2.851 428 HE ARG 53 HE ARG 53 -0.760 -8.983 -0.697 429 1HH1 ARG 53 1HH1 ARG 53 -0.841 -12.200 0.655 430 2HH1 ARG 53 2HH1 ARG 53 -1.602 -10.643 0.628 431 1HH2 ARG 53 1HH2 ARG 53 1.033 -12.597 -0.656 432 2HH2 ARG 53 2HH2 ARG 53 1.670 -11.338 -1.660 433 H GLU 54 H GLU 54 3.432 -6.577 3.011 434 HA GLU 54 HA GLU 54 5.168 -4.840 2.001 435 1HB GLU 54 1HB GLU 54 5.873 -4.383 4.230 436 2HB GLU 54 2HB GLU 54 4.247 -5.018 4.390 437 1HG GLU 54 1HG GLU 54 5.384 -7.350 4.695 438 2HG GLU 54 2HG GLU 54 6.873 -6.457 4.929 439 H ARG 55 H ARG 55 5.894 -8.206 3.034 440 HA ARG 55 HA ARG 55 8.560 -8.183 3.095 441 1HB ARG 55 1HB ARG 55 6.473 -10.172 2.394 442 2HB ARG 55 2HB ARG 55 8.032 -10.549 1.691 443 1HG ARG 55 1HG ARG 55 9.107 -10.379 3.931 444 2HG ARG 55 2HG ARG 55 7.569 -9.942 4.649 445 1HD ARG 55 1HD ARG 55 6.605 -12.135 4.021 446 2HD ARG 55 2HD ARG 55 8.077 -12.572 3.174 447 HE ARG 55 HE ARG 55 9.112 -13.037 5.231 448 1HH1 ARG 55 1HH1 ARG 55 7.906 -12.664 8.483 449 2HH1 ARG 55 2HH1 ARG 55 9.161 -13.335 7.496 450 1HH2 ARG 55 1HH2 ARG 55 6.175 -11.466 7.506 451 2HH2 ARG 55 2HH2 ARG 55 6.139 -11.241 5.790 452 H LEU 56 H LEU 56 6.436 -7.985 0.228 453 HA LEU 56 HA LEU 56 8.840 -7.849 -1.456 454 1HB LEU 56 1HB LEU 56 6.582 -9.472 -1.677 455 2HB LEU 56 2HB LEU 56 6.327 -8.210 -2.865 456 HG LEU 56 HG LEU 56 8.687 -8.725 -3.714 457 1HD1 LEU 56 1HD1 LEU 56 8.453 -11.467 -2.612 458 2HD1 LEU 56 2HD1 LEU 56 9.892 -10.483 -2.970 459 3HD1 LEU 56 3HD1 LEU 56 8.969 -10.198 -1.475 460 1HD2 LEU 56 1HD2 LEU 56 7.070 -11.162 -4.178 461 2HD2 LEU 56 2HD2 LEU 56 6.257 -9.610 -4.490 462 3HD2 LEU 56 3HD2 LEU 56 7.775 -10.004 -5.332 463 H ILE 57 H ILE 57 5.409 -6.695 -1.724 464 HA ILE 57 HA ILE 57 5.817 -4.503 -3.197 465 HB ILE 57 HB ILE 57 3.716 -5.549 -1.972 466 1HG1 ILE 57 1HG1 ILE 57 2.913 -2.879 -2.430 467 2HG1 ILE 57 2HG1 ILE 57 4.247 -3.169 -3.528 468 1HG2 ILE 57 1HG2 ILE 57 4.198 -4.832 0.259 469 2HG2 ILE 57 2HG2 ILE 57 4.417 -3.146 -0.268 470 3HG2 ILE 57 3HG2 ILE 57 2.804 -3.895 -0.333 471 1HD1 ILE 57 1HD1 ILE 57 2.236 -3.864 -4.669 472 2HD1 ILE 57 2HD1 ILE 57 3.099 -5.351 -4.208 473 3HD1 ILE 57 3HD1 ILE 57 1.691 -4.809 -3.262 474 H ALA 58 H ALA 58 6.278 -4.727 0.383 475 HA ALA 58 HA ALA 58 7.113 -3.219 1.819 476 1HB ALA 58 1HB ALA 58 9.044 -4.453 0.643 477 2HB ALA 58 2HB ALA 58 9.307 -2.939 -0.256 478 3HB ALA 58 3HB ALA 58 9.454 -2.958 1.518 479 H HIS 59 H HIS 59 5.146 -1.818 0.952 480 HA HIS 59 HA HIS 59 4.354 0.093 0.130 481 1HB HIS 59 1HB HIS 59 5.026 0.766 2.315 482 2HB HIS 59 2HB HIS 59 6.701 0.946 1.831 483 HD1 HIS 59 1HD HIS 59 7.379 3.129 0.582 484 HD2 HIS 59 2HD HIS 59 3.312 2.918 1.592 485 HE1 HIS 59 1HE HIS 59 6.432 5.472 0.230 486 H ARG 60 H ARG 60 4.667 -0.261 -2.144 487 HA ARG 60 HA ARG 60 7.123 0.487 -3.315 488 1HB ARG 60 1HB ARG 60 5.737 0.236 -5.486 489 2HB ARG 60 2HB ARG 60 5.869 -1.192 -4.478 490 1HG ARG 60 1HG ARG 60 3.624 -1.254 -4.127 491 2HG ARG 60 2HG ARG 60 3.591 0.425 -3.624 492 1HD ARG 60 1HD ARG 60 2.670 1.037 -5.607 493 2HD ARG 60 2HD ARG 60 4.033 0.367 -6.481 494 HE ARG 60 HE ARG 60 1.432 -0.913 -6.054 495 1HH1 ARG 60 1HH1 ARG 60 2.378 -3.818 -7.739 496 2HH1 ARG 60 2HH1 ARG 60 1.053 -2.920 -7.078 497 1HH2 ARG 60 1HH2 ARG 60 4.538 -2.984 -7.582 498 2HH2 ARG 60 2HH2 ARG 60 4.825 -1.462 -6.805 499 H LEU 61 H LEU 61 3.996 2.035 -2.610 500 HA LEU 61 HA LEU 61 4.838 4.588 -2.670 501 1HB LEU 61 1HB LEU 61 3.901 5.324 -4.962 502 2HB LEU 61 2HB LEU 61 5.545 4.732 -4.831 503 HG LEU 61 HG LEU 61 4.115 2.427 -5.395 504 1HD1 LEU 61 1HD1 LEU 61 2.362 4.493 -6.025 505 2HD1 LEU 61 2HD1 LEU 61 3.093 4.046 -7.585 506 3HD1 LEU 61 3HD1 LEU 61 2.281 2.809 -6.596 507 1HD2 LEU 61 1HD2 LEU 61 6.282 3.733 -6.380 508 2HD2 LEU 61 2HD2 LEU 61 5.559 2.279 -7.111 509 3HD2 LEU 61 3HD2 LEU 61 5.147 3.892 -7.742 510 H ALA 62 H ALA 62 2.804 6.148 -3.332 511 HA ALA 62 HA ALA 62 0.711 5.204 -1.669 512 1HB ALA 62 1HB ALA 62 -0.276 7.450 -2.860 513 2HB ALA 62 2HB ALA 62 0.841 7.471 -1.476 514 3HB ALA 62 3HB ALA 62 1.468 7.680 -3.128 515 H SER 63 H SER 63 0.815 6.148 -5.184 516 HA SER 63 HA SER 63 -0.131 5.170 -6.911 517 1HB SER 63 1HB SER 63 -0.065 3.005 -5.393 518 2HB SER 63 2HB SER 63 -1.784 3.288 -5.212 519 HG SER 63 HG SER 63 -0.440 3.091 -7.770 520 H VAL 64 H VAL 64 -2.488 5.063 -4.130 521 HA VAL 64 HA VAL 64 -4.402 6.476 -5.824 522 HB VAL 64 HB VAL 64 -4.678 4.996 -3.201 523 1HG1 VAL 64 1HG1 VAL 64 -6.372 7.001 -4.363 524 2HG1 VAL 64 2HG1 VAL 64 -7.204 5.428 -4.429 525 3HG1 VAL 64 3HG1 VAL 64 -6.610 6.056 -2.873 526 1HG2 VAL 64 1HG2 VAL 64 -5.307 3.163 -4.363 527 2HG2 VAL 64 2HG2 VAL 64 -6.164 4.113 -5.601 528 3HG2 VAL 64 3HG2 VAL 64 -4.396 3.924 -5.690 529 H ASN 65 H ASN 65 -4.827 6.753 -2.392 530 HA ASN 65 HA ASN 65 -4.143 9.556 -2.640 531 1HB ASN 65 1HB ASN 65 -6.350 8.224 -1.516 532 2HB ASN 65 2HB ASN 65 -5.404 8.662 -0.107 533 1HD2 ASN 65 1HD2 ASN 65 -6.907 9.880 -3.053 534 2HD2 ASN 65 2HD2 ASN 65 -7.141 11.518 -2.539 535 H LEU 66 H LEU 66 -4.184 7.105 0.065 536 HA LEU 66 HA LEU 66 -2.839 6.927 1.841 537 1HB LEU 66 1HB LEU 66 -1.790 5.783 -0.334 538 2HB LEU 66 2HB LEU 66 -0.483 6.895 0.026 539 HG LEU 66 HG LEU 66 -1.466 5.333 2.341 540 1HD1 LEU 66 1HD1 LEU 66 -0.008 3.358 1.537 541 2HD1 LEU 66 2HD1 LEU 66 -1.671 3.504 0.920 542 3HD1 LEU 66 3HD1 LEU 66 -0.298 4.008 -0.095 543 1HD2 LEU 66 1HD2 LEU 66 0.843 5.256 2.925 544 2HD2 LEU 66 2HD2 LEU 66 1.339 5.745 1.287 545 3HD2 LEU 66 3HD2 LEU 66 0.493 6.901 2.343 546 H SER 67 H SER 67 -3.513 9.375 2.141 547 HA SER 67 HA SER 67 -1.194 11.075 1.877 548 1HB SER 67 1HB SER 67 -3.085 12.660 3.055 549 2HB SER 67 2HB SER 67 -2.923 12.458 1.322 550 HG SER 67 HG SER 67 -4.781 11.181 3.115 551 H ARG 68 H ARG 68 -1.041 12.707 3.952 552 HA ARG 68 HA ARG 68 -1.704 11.676 6.425 553 1HB ARG 68 1HB ARG 68 0.059 9.957 5.745 554 2HB ARG 68 2HB ARG 68 1.240 11.252 5.706 555 1HG ARG 68 1HG ARG 68 -0.172 11.434 8.215 556 2HG ARG 68 2HG ARG 68 0.292 9.761 7.990 557 1HD ARG 68 1HD ARG 68 2.657 10.578 7.444 558 2HD ARG 68 2HD ARG 68 2.143 12.189 7.906 559 HE ARG 68 HE ARG 68 1.428 10.414 10.021 560 1HH1 ARG 68 1HH1 ARG 68 4.353 10.767 11.892 561 2HH1 ARG 68 2HH1 ARG 68 2.697 10.260 11.915 562 1HH2 ARG 68 1HH2 ARG 68 5.283 11.604 9.937 563 2HH2 ARG 68 2HH2 ARG 68 4.321 11.722 8.501 564 H LEU 69 H LEU 69 -1.903 13.610 7.508 565 HA LEU 69 HA LEU 69 0.324 15.486 7.320 566 1HB LEU 69 1HB LEU 69 -1.805 15.903 5.756 567 2HB LEU 69 2HB LEU 69 -2.420 16.623 7.230 568 HG LEU 69 HG LEU 69 -1.409 18.296 5.774 569 1HD1 LEU 69 1HD1 LEU 69 0.446 19.066 7.484 570 2HD1 LEU 69 2HD1 LEU 69 -1.278 19.065 7.926 571 3HD1 LEU 69 3HD1 LEU 69 -0.223 17.736 8.461 572 1HD2 LEU 69 1HD2 LEU 69 1.379 17.690 6.097 573 2HD2 LEU 69 2HD2 LEU 69 0.554 16.315 5.324 574 3HD2 LEU 69 3HD2 LEU 69 0.440 17.939 4.606 575 HA PRO 70 HA PRO 70 -0.556 15.115 11.595 576 1HB PRO 70 1HB PRO 70 1.785 16.199 12.498 577 2HB PRO 70 2HB PRO 70 1.605 14.501 12.103 578 1HG PRO 70 1HG PRO 70 2.972 16.626 10.569 579 2HG PRO 70 2HG PRO 70 3.136 14.888 10.423 580 1HD PRO 70 1HD PRO 70 1.676 16.626 8.670 581 2HD PRO 70 2HD PRO 70 1.747 14.877 8.593 582 H TYR 71 H TYR 71 -1.165 16.415 13.386 583 HA TYR 71 HA TYR 71 -1.292 19.250 12.610 584 1HB TYR 71 1HB TYR 71 -3.552 19.138 13.817 585 2HB TYR 71 2HB TYR 71 -3.501 18.135 12.380 586 HD1 TYR 71 1HD TYR 71 -3.134 15.633 12.637 587 HD2 TYR 71 2HD TYR 71 -3.961 18.195 15.962 588 HE1 TYR 71 1HE TYR 71 -3.817 13.618 14.028 589 HE2 TYR 71 2HE TYR 71 -4.642 16.171 17.342 590 HH TYR 71 HH TYR 71 -5.614 13.643 16.471 591 H GLU 72 H GLU 72 -1.772 20.685 14.596 592 HA GLU 72 HA GLU 72 -1.213 19.699 17.134 593 1HB GLU 72 1HB GLU 72 1.043 20.992 17.367 594 2HB GLU 72 2HB GLU 72 1.066 19.396 16.647 595 1HG GLU 72 1HG GLU 72 1.717 20.194 14.606 596 2HG GLU 72 2HG GLU 72 0.559 21.509 14.650 597 HA PRO 73 HA PRO 73 -3.146 23.688 17.211 598 1HB PRO 73 1HB PRO 73 -4.647 23.261 19.454 599 2HB PRO 73 2HB PRO 73 -5.202 22.863 17.841 600 1HG PRO 73 1HG PRO 73 -4.245 21.051 19.971 601 2HG PRO 73 2HG PRO 73 -5.185 20.667 18.543 602 1HD PRO 73 1HD PRO 73 -2.384 20.187 18.935 603 2HD PRO 73 2HD PRO 73 -3.299 19.909 17.467 604 H LYS 74 H LYS 74 -1.715 25.264 17.604 605 HA LYS 74 HA LYS 74 0.212 25.253 19.452 606 1HB LYS 74 1HB LYS 74 0.062 27.003 17.836 607 2HB LYS 74 2HB LYS 74 -1.476 27.560 18.464 608 1HG LYS 74 1HG LYS 74 -0.511 28.574 20.341 609 2HG LYS 74 2HG LYS 74 0.851 27.472 20.376 610 1HD LYS 74 1HD LYS 74 1.810 28.557 18.353 611 2HD LYS 74 2HD LYS 74 0.427 29.629 18.254 612 1HE LYS 74 2HE LYS 74 1.892 31.010 19.419 613 2HE LYS 74 3HE LYS 74 1.104 30.227 20.774 614 1HZ LYS 74 1HZ LYS 74 2.956 28.526 20.537 615 2HZ LYS 74 2HZ LYS 74 3.730 29.649 19.639 616 3HZ LYS 74 3HZ LYS 74 3.335 29.974 21.190 617 H LEU 75 H LEU 75 -3.095 26.641 20.055 618 HA LEU 75 HA LEU 75 -4.218 26.967 21.929 619 1HB LEU 75 1HB LEU 75 -3.879 24.416 21.853 620 2HB LEU 75 2HB LEU 75 -2.731 24.659 23.155 621 HG LEU 75 HG LEU 75 -4.684 25.905 24.345 622 1HD1 LEU 75 1HD1 LEU 75 -6.465 24.105 22.755 623 2HD1 LEU 75 2HD1 LEU 75 -6.847 25.586 23.665 624 3HD1 LEU 75 3HD1 LEU 75 -6.028 25.697 22.088 625 1HD2 LEU 75 1HD2 LEU 75 -5.650 23.388 24.781 626 2HD2 LEU 75 2HD2 LEU 75 -4.038 23.044 24.109 627 3HD2 LEU 75 3HD2 LEU 75 -4.200 24.078 25.548 628 H LYS 76 H LYS 76 -3.535 28.988 22.591 629 HA LYS 76 HA LYS 76 -2.314 30.530 23.635 630 1HB LYS 76 1HB LYS 76 -3.398 28.689 25.473 631 2HB LYS 76 2HB LYS 76 -1.788 29.045 26.065 632 1HG LYS 76 1HG LYS 76 -2.640 31.569 25.336 633 2HG LYS 76 2HG LYS 76 -4.156 30.838 25.821 634 1HD LYS 76 1HD LYS 76 -2.445 30.006 27.853 635 2HD LYS 76 2HD LYS 76 -1.813 31.598 27.478 636 1HE LYS 76 2HE LYS 76 -4.692 31.791 27.516 637 2HE LYS 76 3HE LYS 76 -4.202 30.922 28.957 638 1HZ LYS 76 1HZ LYS 76 -2.638 33.247 28.294 639 2HZ LYS 76 2HZ LYS 76 -4.168 33.536 28.783 640 3HZ LYS 76 3HZ LYS 76 -3.143 32.712 29.752 Start of MODEL 20 1 H MET 1 H MET 1 33.521 -2.690 19.921 2 HA MET 1 HA MET 1 35.425 -3.470 18.587 3 1HB MET 1 1HB MET 1 34.237 -6.009 19.616 4 2HB MET 1 2HB MET 1 34.611 -6.061 17.905 5 1HG MET 1 1HG MET 1 36.690 -4.956 19.807 6 2HG MET 1 2HG MET 1 36.462 -6.692 19.729 7 1HE MET 1 1HE MET 1 39.620 -5.329 17.753 8 2HE MET 1 2HE MET 1 38.928 -5.567 19.376 9 3HE MET 1 3HE MET 1 39.266 -6.972 18.338 10 H LEU 2 H LEU 2 31.947 -4.352 18.701 11 HA LEU 2 HA LEU 2 30.311 -3.855 17.284 12 1HB LEU 2 1HB LEU 2 32.113 -1.926 16.666 13 2HB LEU 2 2HB LEU 2 31.991 -2.747 15.122 14 HG LEU 2 HG LEU 2 29.372 -2.213 16.326 15 1HD1 LEU 2 1HD1 LEU 2 30.360 -0.259 17.261 16 2HD1 LEU 2 2HD1 LEU 2 31.230 0.105 15.751 17 3HD1 LEU 2 3HD1 LEU 2 29.456 0.246 15.812 18 1HD2 LEU 2 1HD2 LEU 2 29.315 -2.871 14.105 19 2HD2 LEU 2 2HD2 LEU 2 29.137 -1.103 13.990 20 3HD2 LEU 2 3HD2 LEU 2 30.712 -1.862 13.658 21 H LYS 3 H LYS 3 29.429 -5.690 16.505 22 HA LYS 3 HA LYS 3 30.116 -6.731 14.036 23 1HB LYS 3 1HB LYS 3 32.191 -7.510 14.931 24 2HB LYS 3 2HB LYS 3 31.417 -8.169 16.359 25 1HG LYS 3 1HG LYS 3 30.046 -9.389 14.212 26 2HG LYS 3 2HG LYS 3 31.718 -9.362 13.688 27 1HD LYS 3 1HD LYS 3 32.408 -10.427 15.850 28 2HD LYS 3 2HD LYS 3 30.733 -10.461 16.365 29 1HE LYS 3 2HE LYS 3 30.168 -12.192 14.920 30 2HE LYS 3 3HE LYS 3 31.309 -11.687 13.689 31 1HZ LYS 3 1HZ LYS 3 31.663 -13.648 15.565 32 2HZ LYS 3 2HZ LYS 3 32.774 -13.090 14.505 33 3HZ LYS 3 3HZ LYS 3 32.684 -12.452 16.005 34 H ASN 4 H ASN 4 29.098 -7.763 17.364 35 HA ASN 4 HA ASN 4 27.346 -9.660 16.772 36 1HB ASN 4 1HB ASN 4 25.948 -8.729 18.745 37 2HB ASN 4 2HB ASN 4 27.639 -9.046 19.080 38 1HD2 ASN 4 1HD2 ASN 4 25.222 -6.911 19.510 39 2HD2 ASN 4 2HD2 ASN 4 26.091 -5.428 19.719 40 H LEU 5 H LEU 5 25.299 -9.807 15.762 41 HA LEU 5 HA LEU 5 23.478 -7.710 15.596 42 1HB LEU 5 1HB LEU 5 25.075 -6.620 14.160 43 2HB LEU 5 2HB LEU 5 25.224 -8.048 13.157 44 HG LEU 5 HG LEU 5 22.460 -7.306 13.227 45 1HD1 LEU 5 1HD1 LEU 5 22.603 -5.091 13.583 46 2HD1 LEU 5 2HD1 LEU 5 24.335 -5.024 13.178 47 3HD1 LEU 5 3HD1 LEU 5 23.118 -5.044 11.880 48 1HD2 LEU 5 1HD2 LEU 5 24.169 -8.402 11.450 49 2HD2 LEU 5 2HD2 LEU 5 22.589 -7.710 11.012 50 3HD2 LEU 5 3HD2 LEU 5 24.071 -6.745 10.805 51 H ALA 6 H ALA 6 21.484 -8.468 14.817 52 HA ALA 6 HA ALA 6 21.028 -10.505 13.092 53 1HB ALA 6 1HB ALA 6 20.498 -12.255 15.125 54 2HB ALA 6 2HB ALA 6 21.981 -12.285 14.142 55 3HB ALA 6 3HB ALA 6 21.982 -11.479 15.729 56 H LYS 7 H LYS 7 19.059 -9.665 12.580 57 HA LYS 7 HA LYS 7 16.946 -9.916 14.454 58 1HB LYS 7 1HB LYS 7 18.352 -7.569 14.769 59 2HB LYS 7 2HB LYS 7 17.082 -7.083 13.664 60 1HG LYS 7 1HG LYS 7 15.358 -7.616 15.183 61 2HG LYS 7 2HG LYS 7 16.340 -8.774 16.057 62 1HD LYS 7 1HD LYS 7 17.010 -7.183 17.528 63 2HD LYS 7 2HD LYS 7 17.606 -6.169 16.228 64 1HE LYS 7 2HE LYS 7 15.449 -5.111 15.928 65 2HE LYS 7 3HE LYS 7 14.640 -6.311 16.917 66 1HZ LYS 7 1HZ LYS 7 14.981 -4.907 18.568 67 2HZ LYS 7 2HZ LYS 7 16.564 -5.305 18.530 68 3HZ LYS 7 3HZ LYS 7 16.034 -3.987 17.724 69 H LEU 8 H LEU 8 17.834 -7.843 11.597 70 HA LEU 8 HA LEU 8 16.747 -7.518 9.684 71 1HB LEU 8 1HB LEU 8 17.227 -10.416 9.970 72 2HB LEU 8 2HB LEU 8 16.088 -9.967 8.717 73 HG LEU 8 HG LEU 8 18.209 -8.208 8.320 74 1HD1 LEU 8 1HD1 LEU 8 19.215 -10.369 9.850 75 2HD1 LEU 8 2HD1 LEU 8 19.794 -10.590 8.181 76 3HD1 LEU 8 3HD1 LEU 8 20.120 -9.067 9.042 77 1HD2 LEU 8 1HD2 LEU 8 17.352 -10.771 6.984 78 2HD2 LEU 8 2HD2 LEU 8 17.073 -9.089 6.476 79 3HD2 LEU 8 3HD2 LEU 8 18.704 -9.794 6.364 80 H ASP 9 H ASP 9 14.916 -6.345 10.339 81 HA ASP 9 HA ASP 9 12.505 -7.415 9.663 82 1HB ASP 9 1HB ASP 9 11.480 -7.310 12.095 83 2HB ASP 9 2HB ASP 9 12.259 -8.780 11.546 84 H GLN 10 H GLN 10 13.592 -5.069 8.966 85 HA GLN 10 HA GLN 10 12.539 -3.080 10.813 86 1HB GLN 10 1HB GLN 10 14.029 -1.474 9.682 87 2HB GLN 10 2HB GLN 10 14.940 -2.849 10.274 88 1HG GLN 10 1HG GLN 10 14.809 -3.883 7.973 89 2HG GLN 10 2HG GLN 10 13.982 -2.449 7.400 90 1HE2 GLN 10 1HE2 GLN 10 16.933 -3.947 7.923 91 2HE2 GLN 10 2HE2 GLN 10 18.008 -2.610 7.680 92 H THR 11 H THR 11 11.810 -4.784 7.972 93 HA THR 11 HA THR 11 10.692 -2.715 6.397 94 HB THR 11 HB THR 11 9.817 -5.628 6.387 95 HG1 THR 11 1HG THR 11 11.944 -6.109 6.007 96 1HG2 THR 11 1HG2 THR 11 10.522 -5.015 3.846 97 2HG2 THR 11 2HG2 THR 11 8.898 -4.645 4.473 98 3HG2 THR 11 3HG2 THR 11 10.140 -3.371 4.412 99 H GLU 12 H GLU 12 9.179 -5.127 8.645 100 HA GLU 12 HA GLU 12 6.635 -4.091 8.344 101 1HB GLU 12 1HB GLU 12 7.497 -6.317 9.441 102 2HB GLU 12 2HB GLU 12 7.599 -5.376 10.916 103 1HG GLU 12 1HG GLU 12 5.154 -4.679 10.504 104 2HG GLU 12 2HG GLU 12 5.111 -5.876 9.224 105 H MET 13 H MET 13 9.427 -2.936 10.121 106 HA MET 13 HA MET 13 8.074 -1.509 12.094 107 1HB MET 13 1HB MET 13 10.798 -1.808 11.020 108 2HB MET 13 2HB MET 13 10.492 -0.132 11.433 109 1HG MET 13 1HG MET 13 9.426 -1.783 13.557 110 2HG MET 13 2HG MET 13 11.057 -2.326 13.214 111 1HE MET 13 1HE MET 13 8.918 -0.399 15.018 112 2HE MET 13 2HE MET 13 10.263 -0.479 16.182 113 3HE MET 13 3HE MET 13 9.705 1.097 15.574 114 H ASP 14 H ASP 14 8.923 -0.797 8.697 115 HA ASP 14 HA ASP 14 8.328 1.958 8.951 116 1HB ASP 14 1HB ASP 14 9.839 0.729 7.204 117 2HB ASP 14 2HB ASP 14 8.346 0.349 6.368 118 H LYS 15 H LYS 15 6.615 -1.066 8.267 119 HA LYS 15 HA LYS 15 4.360 0.209 7.032 120 1HB LYS 15 1HB LYS 15 5.261 -2.548 7.619 121 2HB LYS 15 2HB LYS 15 3.526 -2.309 7.675 122 1HG LYS 15 1HG LYS 15 4.376 -2.928 5.383 123 2HG LYS 15 2HG LYS 15 3.490 -1.417 5.409 124 1HD LYS 15 1HD LYS 15 5.354 -0.742 4.196 125 2HD LYS 15 2HD LYS 15 5.911 -0.359 5.812 126 1HE LYS 15 2HE LYS 15 6.872 -2.795 5.850 127 2HE LYS 15 3HE LYS 15 6.624 -2.780 4.116 128 1HZ LYS 15 1HZ LYS 15 8.585 -1.791 4.058 129 2HZ LYS 15 2HZ LYS 15 7.850 -0.434 4.594 130 3HZ LYS 15 3HZ LYS 15 8.591 -1.433 5.652 131 H VAL 16 H VAL 16 5.034 -1.443 10.195 132 HA VAL 16 HA VAL 16 2.616 -1.114 11.378 133 HB VAL 16 HB VAL 16 5.233 -1.788 12.116 134 1HG1 VAL 16 1HG1 VAL 16 4.099 0.278 14.033 135 2HG1 VAL 16 2HG1 VAL 16 5.558 -0.711 14.282 136 3HG1 VAL 16 3HG1 VAL 16 5.520 0.508 12.986 137 1HG2 VAL 16 1HG2 VAL 16 2.483 -2.124 13.117 138 2HG2 VAL 16 2HG2 VAL 16 3.797 -3.312 12.941 139 3HG2 VAL 16 3HG2 VAL 16 3.738 -2.255 14.371 140 H ASN 17 H ASN 17 4.936 1.356 10.442 141 HA ASN 17 HA ASN 17 3.949 3.312 12.218 142 1HB ASN 17 1HB ASN 17 6.162 3.692 11.390 143 2HB ASN 17 2HB ASN 17 5.708 3.327 9.737 144 1HD2 ASN 17 1HD2 ASN 17 4.198 4.794 8.664 145 2HD2 ASN 17 2HD2 ASN 17 4.270 6.492 8.999 146 H VAL 18 H VAL 18 3.777 2.856 8.596 147 HA VAL 18 HA VAL 18 1.815 4.832 8.225 148 HB VAL 18 HB VAL 18 2.509 2.461 6.483 149 1HG1 VAL 18 1HG1 VAL 18 1.164 3.321 4.918 150 2HG1 VAL 18 2HG1 VAL 18 0.512 4.391 6.182 151 3HG1 VAL 18 3HG1 VAL 18 1.837 4.954 5.137 152 1HG2 VAL 18 1HG2 VAL 18 4.564 3.575 6.963 153 2HG2 VAL 18 2HG2 VAL 18 4.052 4.114 5.345 154 3HG2 VAL 18 3HG2 VAL 18 3.822 5.180 6.753 155 H ASP 19 H ASP 19 1.670 1.765 9.708 156 HA ASP 19 HA ASP 19 -0.502 0.525 8.898 157 1HB ASP 19 1HB ASP 19 0.787 -0.119 10.904 158 2HB ASP 19 2HB ASP 19 0.186 1.276 11.777 159 H LEU 20 H LEU 20 -0.318 3.739 10.407 160 HA LEU 20 HA LEU 20 -3.151 3.875 10.910 161 1HB LEU 20 1HB LEU 20 -0.748 5.459 11.519 162 2HB LEU 20 2HB LEU 20 -2.181 6.413 11.191 163 HG LEU 20 HG LEU 20 -2.675 4.179 13.035 164 1HD1 LEU 20 1HD1 LEU 20 -0.711 6.346 13.820 165 2HD1 LEU 20 2HD1 LEU 20 -1.548 5.268 14.963 166 3HD1 LEU 20 3HD1 LEU 20 -0.419 4.590 13.764 167 1HD2 LEU 20 1HD2 LEU 20 -3.163 7.159 13.276 168 2HD2 LEU 20 2HD2 LEU 20 -4.284 5.984 12.548 169 3HD2 LEU 20 3HD2 LEU 20 -3.877 5.874 14.278 170 H ALA 21 H ALA 21 -0.740 5.315 8.625 171 HA ALA 21 HA ALA 21 -2.609 6.850 7.218 172 1HB ALA 21 1HB ALA 21 0.193 6.199 7.133 173 2HB ALA 21 2HB ALA 21 -0.483 6.035 5.495 174 3HB ALA 21 3HB ALA 21 -0.656 7.570 6.380 175 H ALA 22 H ALA 22 -2.015 3.420 7.364 176 HA ALA 22 HA ALA 22 -2.507 2.438 4.928 177 1HB ALA 22 1HB ALA 22 -2.454 1.437 7.450 178 2HB ALA 22 2HB ALA 22 -4.191 1.280 7.096 179 3HB ALA 22 3HB ALA 22 -2.992 0.500 6.037 180 H ALA 23 H ALA 23 -5.107 3.495 7.243 181 HA ALA 23 HA ALA 23 -7.030 4.556 6.785 182 1HB ALA 23 1HB ALA 23 -6.726 4.099 3.815 183 2HB ALA 23 2HB ALA 23 -7.520 5.441 4.674 184 3HB ALA 23 3HB ALA 23 -5.743 5.336 4.637 185 H GLY 24 H GLY 24 -6.779 2.181 4.047 186 1HA GLY 24 1HA GLY 24 -7.614 -0.053 4.303 187 2HA GLY 24 2HA GLY 24 -8.819 0.547 5.424 188 H VAL 25 H VAL 25 -9.477 2.995 3.887 189 HA VAL 25 HA VAL 25 -10.884 1.695 1.658 190 HB VAL 25 HB VAL 25 -11.854 4.239 2.856 191 1HG1 VAL 25 1HG1 VAL 25 -12.910 1.936 1.322 192 2HG1 VAL 25 2HG1 VAL 25 -14.004 2.594 2.563 193 3HG1 VAL 25 3HG1 VAL 25 -13.370 3.655 1.282 194 1HG2 VAL 25 1HG2 VAL 25 -11.204 2.737 4.793 195 2HG2 VAL 25 2HG2 VAL 25 -12.916 3.218 4.728 196 3HG2 VAL 25 3HG2 VAL 25 -12.429 1.586 4.206 197 H ALA 26 H ALA 26 -8.429 3.901 2.578 198 HA ALA 26 HA ALA 26 -8.516 6.055 1.055 199 1HB ALA 26 1HB ALA 26 -5.996 5.439 0.526 200 2HB ALA 26 2HB ALA 26 -6.519 5.739 2.201 201 3HB ALA 26 3HB ALA 26 -6.322 4.070 1.615 202 H PHE 27 H PHE 27 -8.309 2.698 -0.142 203 HA PHE 27 HA PHE 27 -8.219 3.743 -2.875 204 1HB PHE 27 1HB PHE 27 -7.950 0.882 -1.777 205 2HB PHE 27 2HB PHE 27 -7.527 1.404 -3.395 206 HD1 PHE 27 1HD PHE 27 -6.441 1.188 0.053 207 HD2 PHE 27 2HD PHE 27 -5.521 2.819 -3.754 208 HE1 PHE 27 1HE PHE 27 -4.088 1.622 0.809 209 HE2 PHE 27 2HE PHE 27 -3.167 3.253 -2.999 210 HZ PHE 27 HZ PHE 27 -2.478 2.649 -0.727 211 H LYS 28 H LYS 28 -10.010 1.521 -0.656 212 HA LYS 28 HA LYS 28 -11.922 0.396 -0.988 213 1HB LYS 28 1HB LYS 28 -13.689 1.814 -0.676 214 2HB LYS 28 2HB LYS 28 -12.362 2.906 -0.329 215 1HG LYS 28 1HG LYS 28 -12.583 3.180 -3.079 216 2HG LYS 28 2HG LYS 28 -14.253 2.895 -2.628 217 1HD LYS 28 1HD LYS 28 -14.235 4.770 -1.066 218 2HD LYS 28 2HD LYS 28 -12.500 4.962 -1.227 219 1HE LYS 28 2HE LYS 28 -14.038 5.091 -3.789 220 2HE LYS 28 3HE LYS 28 -14.343 6.404 -2.669 221 1HZ LYS 28 1HZ LYS 28 -12.067 5.937 -4.238 222 2HZ LYS 28 2HZ LYS 28 -12.458 7.263 -3.370 223 3HZ LYS 28 3HZ LYS 28 -11.635 6.040 -2.667 224 H GLU 29 H GLU 29 -10.114 0.297 -3.310 225 HA GLU 29 HA GLU 29 -12.168 0.035 -5.366 226 1HB GLU 29 1HB GLU 29 -9.534 1.350 -5.426 227 2HB GLU 29 2HB GLU 29 -9.713 0.174 -6.714 228 1HG GLU 29 1HG GLU 29 -12.193 1.606 -6.567 229 2HG GLU 29 2HG GLU 29 -10.917 2.806 -6.479 230 H ARG 30 H ARG 30 -9.200 -1.273 -3.832 231 HA ARG 30 HA ARG 30 -8.477 -3.301 -5.272 232 1HB ARG 30 1HB ARG 30 -7.622 -2.937 -2.996 233 2HB ARG 30 2HB ARG 30 -9.155 -3.410 -2.293 234 1HG ARG 30 1HG ARG 30 -8.392 -5.542 -2.203 235 2HG ARG 30 2HG ARG 30 -8.446 -5.588 -3.954 236 1HD ARG 30 1HD ARG 30 -6.055 -4.170 -2.959 237 2HD ARG 30 2HD ARG 30 -6.139 -5.816 -2.365 238 HE ARG 30 HE ARG 30 -5.486 -5.050 -5.035 239 1HH1 ARG 30 1HH1 ARG 30 -6.176 -8.122 -6.540 240 2HH1 ARG 30 2HH1 ARG 30 -5.367 -6.600 -6.710 241 1HH2 ARG 30 1HH2 ARG 30 -7.379 -8.588 -4.611 242 2HH2 ARG 30 2HH2 ARG 30 -7.469 -7.413 -3.341 243 H TYR 31 H TYR 31 -11.615 -3.066 -3.565 244 HA TYR 31 HA TYR 31 -12.420 -5.565 -4.894 245 1HB TYR 31 1HB TYR 31 -14.084 -5.364 -2.736 246 2HB TYR 31 2HB TYR 31 -12.522 -6.148 -2.602 247 HD1 TYR 31 1HD TYR 31 -10.578 -4.899 -1.622 248 HD2 TYR 31 2HD TYR 31 -14.547 -3.302 -1.600 249 HE1 TYR 31 1HE TYR 31 -9.907 -3.239 0.182 250 HE2 TYR 31 2HE TYR 31 -13.862 -1.646 0.204 251 HH TYR 31 HH TYR 31 -11.584 -0.561 0.878 252 H ASN 32 H ASN 32 -12.802 -2.187 -4.621 253 HA ASN 32 HA ASN 32 -14.258 -0.771 -5.376 254 1HB ASN 32 1HB ASN 32 -14.190 -1.914 -7.520 255 2HB ASN 32 2HB ASN 32 -15.199 -3.223 -6.937 256 1HD2 ASN 32 1HD2 ASN 32 -16.857 -3.074 -8.314 257 2HD2 ASN 32 2HD2 ASN 32 -17.932 -1.722 -8.458 258 H MET 33 H MET 33 -14.997 -1.107 -2.940 259 HA MET 33 HA MET 33 -17.636 -2.310 -2.835 260 1HB MET 33 1HB MET 33 -15.375 -1.913 -0.983 261 2HB MET 33 2HB MET 33 -16.868 -1.343 -0.265 262 1HG MET 33 1HG MET 33 -16.276 -3.838 0.103 263 2HG MET 33 2HG MET 33 -17.912 -3.485 -0.418 264 1HE MET 33 1HE MET 33 -18.499 -5.429 -1.063 265 2HE MET 33 2HE MET 33 -18.798 -5.210 -2.804 266 3HE MET 33 3HE MET 33 -17.773 -6.551 -2.239 267 HA PRO 34 HA PRO 34 -19.628 1.514 -2.334 268 1HB PRO 34 1HB PRO 34 -21.544 1.064 -0.438 269 2HB PRO 34 2HB PRO 34 -21.707 0.552 -2.106 270 1HG PRO 34 1HG PRO 34 -21.106 -1.082 0.284 271 2HG PRO 34 2HG PRO 34 -21.686 -1.605 -1.285 272 1HD PRO 34 1HD PRO 34 -19.009 -1.834 -0.280 273 2HD PRO 34 2HD PRO 34 -19.563 -2.249 -1.890 274 H VAL 35 H VAL 35 -20.640 3.162 -0.571 275 HA VAL 35 HA VAL 35 -18.323 4.067 0.756 276 HB VAL 35 HB VAL 35 -19.906 5.735 1.720 277 1HG1 VAL 35 1HG1 VAL 35 -18.995 6.549 -0.220 278 2HG1 VAL 35 2HG1 VAL 35 -19.604 5.200 -1.208 279 3HG1 VAL 35 3HG1 VAL 35 -20.709 6.500 -0.699 280 1HG2 VAL 35 1HG2 VAL 35 -22.063 5.197 1.909 281 2HG2 VAL 35 2HG2 VAL 35 -22.197 5.332 0.139 282 3HG2 VAL 35 3HG2 VAL 35 -21.850 3.755 0.888 283 H ILE 36 H ILE 36 -18.130 1.683 1.722 284 HA ILE 36 HA ILE 36 -19.201 1.901 4.438 285 HB ILE 36 HB ILE 36 -19.722 -0.181 2.463 286 1HG1 ILE 36 1HG1 ILE 36 -20.924 0.278 5.204 287 2HG1 ILE 36 2HG1 ILE 36 -21.383 1.199 3.785 288 1HG2 ILE 36 1HG2 ILE 36 -18.037 -1.468 3.521 289 2HG2 ILE 36 2HG2 ILE 36 -18.554 -0.950 5.144 290 3HG2 ILE 36 3HG2 ILE 36 -19.592 -2.030 4.182 291 1HD1 ILE 36 1HD1 ILE 36 -21.523 -1.413 2.841 292 2HD1 ILE 36 2HD1 ILE 36 -22.070 -1.579 4.527 293 3HD1 ILE 36 3HD1 ILE 36 -22.906 -0.457 3.426 294 H ALA 37 H ALA 37 -17.861 0.786 6.064 295 HA ALA 37 HA ALA 37 -15.073 0.664 5.144 296 1HB ALA 37 1HB ALA 37 -16.298 1.349 7.845 297 2HB ALA 37 2HB ALA 37 -14.551 1.187 7.542 298 3HB ALA 37 3HB ALA 37 -15.481 2.465 6.725 299 H GLU 38 H GLU 38 -17.688 -0.929 7.010 300 HA GLU 38 HA GLU 38 -16.129 -2.963 8.054 301 1HB GLU 38 1HB GLU 38 -18.806 -2.183 8.172 302 2HB GLU 38 2HB GLU 38 -18.895 -3.740 7.373 303 1HG GLU 38 1HG GLU 38 -17.596 -4.793 9.199 304 2HG GLU 38 2HG GLU 38 -17.380 -3.238 9.978 305 H ALA 39 H ALA 39 -16.942 -2.253 4.807 306 HA ALA 39 HA ALA 39 -16.646 -5.064 4.019 307 1HB ALA 39 1HB ALA 39 -17.441 -2.804 2.179 308 2HB ALA 39 2HB ALA 39 -17.839 -4.536 2.075 309 3HB ALA 39 3HB ALA 39 -18.631 -3.513 3.296 310 H VAL 40 H VAL 40 -14.806 -2.364 4.664 311 HA VAL 40 HA VAL 40 -13.126 -2.520 2.319 312 HB VAL 40 HB VAL 40 -13.526 -0.746 4.618 313 1HG1 VAL 40 1HG1 VAL 40 -10.730 -1.365 3.636 314 2HG1 VAL 40 2HG1 VAL 40 -11.160 0.181 4.408 315 3HG1 VAL 40 3HG1 VAL 40 -11.338 -1.343 5.309 316 1HG2 VAL 40 1HG2 VAL 40 -12.192 0.493 2.417 317 2HG2 VAL 40 2HG2 VAL 40 -13.412 -0.628 1.766 318 3HG2 VAL 40 3HG2 VAL 40 -13.895 0.643 2.916 319 H GLU 41 H GLU 41 -13.151 -3.536 5.765 320 HA GLU 41 HA GLU 41 -10.524 -4.669 5.419 321 1HB GLU 41 1HB GLU 41 -12.098 -3.702 7.643 322 2HB GLU 41 2HB GLU 41 -11.655 -5.367 7.960 323 1HG GLU 41 1HG GLU 41 -9.271 -4.383 6.976 324 2HG GLU 41 2HG GLU 41 -9.919 -2.951 7.752 325 H ARG 42 H ARG 42 -13.954 -5.598 5.647 326 HA ARG 42 HA ARG 42 -13.474 -8.306 6.118 327 1HB ARG 42 1HB ARG 42 -15.667 -7.293 6.577 328 2HB ARG 42 2HB ARG 42 -15.860 -6.835 4.898 329 1HG ARG 42 1HG ARG 42 -15.315 -9.695 5.074 330 2HG ARG 42 2HG ARG 42 -16.651 -9.283 6.133 331 1HD ARG 42 1HD ARG 42 -17.659 -7.980 4.137 332 2HD ARG 42 2HD ARG 42 -16.434 -8.736 3.139 333 HE ARG 42 HE ARG 42 -17.611 -10.757 3.262 334 1HH1 ARG 42 1HH1 ARG 42 -20.382 -11.660 5.182 335 2HH1 ARG 42 2HH1 ARG 42 -19.331 -12.125 3.886 336 1HH2 ARG 42 1HH2 ARG 42 -20.042 -9.646 6.285 337 2HH2 ARG 42 2HH2 ARG 42 -18.738 -8.608 5.811 338 H GLU 43 H GLU 43 -13.339 -6.246 3.272 339 HA GLU 43 HA GLU 43 -13.662 -8.423 1.450 340 1HB GLU 43 1HB GLU 43 -13.071 -5.464 1.178 341 2HB GLU 43 2HB GLU 43 -12.871 -6.526 -0.201 342 1HG GLU 43 1HG GLU 43 -15.439 -6.290 1.440 343 2HG GLU 43 2HG GLU 43 -15.157 -5.469 -0.083 344 H GLN 44 H GLN 44 -11.018 -5.951 1.463 345 HA GLN 44 HA GLN 44 -9.035 -7.837 2.090 346 1HB GLN 44 1HB GLN 44 -9.872 -7.939 -0.592 347 2HB GLN 44 2HB GLN 44 -8.419 -6.961 -0.648 348 1HG GLN 44 1HG GLN 44 -7.052 -8.719 -0.086 349 2HG GLN 44 2HG GLN 44 -8.174 -9.344 1.106 350 1HE2 GLN 44 1HE2 GLN 44 -6.599 -10.442 -1.274 351 2HE2 GLN 44 2HE2 GLN 44 -7.735 -11.409 -2.155 352 HA PRO 45 HA PRO 45 -7.593 -3.743 2.863 353 1HB PRO 45 1HB PRO 45 -5.770 -4.401 4.791 354 2HB PRO 45 2HB PRO 45 -7.459 -4.083 5.137 355 1HG PRO 45 1HG PRO 45 -6.042 -6.676 5.047 356 2HG PRO 45 2HG PRO 45 -7.583 -6.291 5.789 357 1HD PRO 45 1HD PRO 45 -7.169 -7.672 3.309 358 2HD PRO 45 2HD PRO 45 -8.707 -7.184 3.994 359 H GLU 46 H GLU 46 -6.851 -3.725 0.623 360 HA GLU 46 HA GLU 46 -4.705 -4.824 -0.370 361 1HB GLU 46 1HB GLU 46 -4.491 -2.974 -1.855 362 2HB GLU 46 2HB GLU 46 -6.173 -2.965 -1.363 363 1HG GLU 46 1HG GLU 46 -3.981 -1.254 -0.093 364 2HG GLU 46 2HG GLU 46 -5.122 -0.682 -1.295 365 H HIS 47 H HIS 47 -4.693 -2.361 2.208 366 HA HIS 47 HA HIS 47 -2.030 -1.641 2.104 367 1HB HIS 47 1HB HIS 47 -2.372 -0.650 4.167 368 2HB HIS 47 2HB HIS 47 -3.984 -0.686 3.480 369 HD1 HIS 47 1HD HIS 47 -5.785 -1.987 4.736 370 HD2 HIS 47 2HD HIS 47 -1.927 -2.623 6.257 371 HE1 HIS 47 1HE HIS 47 -6.080 -3.273 6.920 372 H LEU 48 H LEU 48 -3.419 -4.713 2.689 373 HA LEU 48 HA LEU 48 -1.375 -5.624 4.492 374 1HB LEU 48 1HB LEU 48 -3.823 -6.723 3.227 375 2HB LEU 48 2HB LEU 48 -2.569 -7.874 3.641 376 HG LEU 48 HG LEU 48 -4.390 -7.503 5.362 377 1HD1 LEU 48 1HD1 LEU 48 -2.991 -8.132 7.042 378 2HD1 LEU 48 2HD1 LEU 48 -1.873 -8.320 5.669 379 3HD1 LEU 48 3HD1 LEU 48 -1.798 -6.860 6.685 380 1HD2 LEU 48 1HD2 LEU 48 -3.067 -5.175 6.532 381 2HD2 LEU 48 2HD2 LEU 48 -3.837 -4.825 4.967 382 3HD2 LEU 48 3HD2 LEU 48 -4.797 -5.520 6.294 383 H ARG 49 H ARG 49 -2.247 -6.058 1.004 384 HA ARG 49 HA ARG 49 -0.500 -7.827 0.194 385 1HB ARG 49 1HB ARG 49 -0.551 -6.795 -1.972 386 2HB ARG 49 2HB ARG 49 -2.051 -6.308 -1.208 387 1HG ARG 49 1HG ARG 49 -0.539 -4.240 -0.371 388 2HG ARG 49 2HG ARG 49 0.413 -4.665 -1.778 389 1HD ARG 49 1HD ARG 49 -2.518 -3.840 -1.695 390 2HD ARG 49 2HD ARG 49 -1.202 -3.034 -2.524 391 HE ARG 49 HE ARG 49 -1.363 -5.682 -3.557 392 1HH1 ARG 49 1HH1 ARG 49 -3.547 -5.001 -6.193 393 2HH1 ARG 49 2HH1 ARG 49 -2.390 -6.119 -5.551 394 1HH2 ARG 49 1HH2 ARG 49 -4.054 -3.060 -5.027 395 2HH2 ARG 49 2HH2 ARG 49 -3.275 -2.727 -3.516 396 H SER 50 H SER 50 0.275 -4.546 1.354 397 HA SER 50 HA SER 50 3.024 -4.854 0.553 398 1HB SER 50 1HB SER 50 1.310 -2.621 1.599 399 2HB SER 50 2HB SER 50 3.026 -2.529 1.939 400 HG SER 50 HG SER 50 3.230 -3.025 -0.506 401 H TRP 51 H TRP 51 0.940 -4.772 3.481 402 HA TRP 51 HA TRP 51 3.098 -4.842 5.320 403 1HB TRP 51 1HB TRP 51 0.139 -5.076 5.422 404 2HB TRP 51 2HB TRP 51 1.035 -5.789 6.749 405 HD1 TRP 51 HD TRP 51 1.189 -4.085 8.711 406 HE1 TRP 51 1HE TRP 51 1.467 -1.485 9.069 407 HE3 TRP 51 3HE TRP 51 1.315 -2.887 3.771 408 HZ2 TRP 51 2HZ TRP 51 1.703 0.731 7.286 409 HZ3 TRP 51 3HZ TRP 51 1.572 -0.482 3.165 410 HH2 TRP 51 HH TRP 51 1.763 1.298 4.829 411 H PHE 52 H PHE 52 1.789 -7.077 3.071 412 HA PHE 52 HA PHE 52 2.656 -9.354 4.693 413 1HB PHE 52 1HB PHE 52 0.491 -8.740 2.838 414 2HB PHE 52 2HB PHE 52 1.459 -10.009 2.116 415 HD1 PHE 52 1HD PHE 52 0.222 -11.957 2.335 416 HD2 PHE 52 2HD PHE 52 0.610 -9.393 5.696 417 HE1 PHE 52 1HE PHE 52 -0.941 -13.658 3.768 418 HE2 PHE 52 2HE PHE 52 -0.554 -11.095 7.128 419 HZ PHE 52 HZ PHE 52 -1.316 -13.207 6.147 420 H ARG 53 H ARG 53 3.031 -7.719 1.500 421 HA ARG 53 HA ARG 53 5.052 -9.618 0.780 422 1HB ARG 53 1HB ARG 53 3.455 -8.765 -0.934 423 2HB ARG 53 2HB ARG 53 4.007 -7.126 -0.657 424 1HG ARG 53 1HG ARG 53 6.088 -7.496 -1.692 425 2HG ARG 53 2HG ARG 53 6.063 -9.219 -1.375 426 1HD ARG 53 1HD ARG 53 5.015 -9.668 -3.350 427 2HD ARG 53 2HD ARG 53 3.798 -8.439 -3.073 428 HE ARG 53 HE ARG 53 5.901 -6.868 -3.731 429 1HH1 ARG 53 1HH1 ARG 53 6.412 -7.401 -7.141 430 2HH1 ARG 53 2HH1 ARG 53 6.654 -6.313 -5.816 431 1HH2 ARG 53 1HH2 ARG 53 5.323 -9.423 -6.800 432 2HH2 ARG 53 2HH2 ARG 53 4.753 -9.843 -5.220 433 H GLU 54 H GLU 54 4.958 -7.022 2.829 434 HA GLU 54 HA GLU 54 6.759 -5.202 2.183 435 1HB GLU 54 1HB GLU 54 6.893 -4.733 4.442 436 2HB GLU 54 2HB GLU 54 5.521 -5.824 4.472 437 1HG GLU 54 1HG GLU 54 8.427 -6.634 4.967 438 2HG GLU 54 2HG GLU 54 7.215 -6.408 6.212 439 H ARG 55 H ARG 55 7.398 -8.638 2.737 440 HA ARG 55 HA ARG 55 10.014 -8.637 3.357 441 1HB ARG 55 1HB ARG 55 10.121 -10.854 2.186 442 2HB ARG 55 2HB ARG 55 8.674 -10.697 3.161 443 1HG ARG 55 1HG ARG 55 7.368 -11.027 1.340 444 2HG ARG 55 2HG ARG 55 8.079 -9.637 0.545 445 1HD ARG 55 1HD ARG 55 8.676 -11.328 -0.957 446 2HD ARG 55 2HD ARG 55 10.103 -11.297 0.060 447 HE ARG 55 HE ARG 55 9.517 -13.398 0.935 448 1HH1 ARG 55 1HH1 ARG 55 6.719 -15.384 0.298 449 2HH1 ARG 55 2HH1 ARG 55 8.292 -15.326 1.020 450 1HH2 ARG 55 1HH2 ARG 55 5.855 -13.504 -0.756 451 2HH2 ARG 55 2HH2 ARG 55 6.784 -12.044 -0.820 452 H LEU 56 H LEU 56 8.466 -7.670 0.337 453 HA LEU 56 HA LEU 56 10.983 -6.737 -0.667 454 1HB LEU 56 1HB LEU 56 10.389 -9.304 -1.347 455 2HB LEU 56 2HB LEU 56 9.624 -8.432 -2.661 456 HG LEU 56 HG LEU 56 12.473 -7.821 -1.910 457 1HD1 LEU 56 1HD1 LEU 56 13.029 -9.957 -2.288 458 2HD1 LEU 56 2HD1 LEU 56 11.461 -10.340 -3.038 459 3HD1 LEU 56 3HD1 LEU 56 12.743 -9.566 -4.001 460 1HD2 LEU 56 1HD2 LEU 56 12.209 -7.724 -4.650 461 2HD2 LEU 56 2HD2 LEU 56 10.623 -7.152 -4.079 462 3HD2 LEU 56 3HD2 LEU 56 12.111 -6.337 -3.539 463 H ILE 57 H ILE 57 9.758 -4.761 -0.208 464 HA ILE 57 HA ILE 57 7.352 -4.322 -1.706 465 HB ILE 57 HB ILE 57 7.610 -3.391 0.504 466 1HG1 ILE 57 1HG1 ILE 57 7.719 -0.890 -1.073 467 2HG1 ILE 57 2HG1 ILE 57 6.600 -2.095 -1.676 468 1HG2 ILE 57 1HG2 ILE 57 10.090 -2.144 -0.653 469 2HG2 ILE 57 2HG2 ILE 57 9.239 -1.385 0.713 470 3HG2 ILE 57 3HG2 ILE 57 9.874 -3.041 0.869 471 1HD1 ILE 57 1HD1 ILE 57 5.235 -1.021 -0.128 472 2HD1 ILE 57 2HD1 ILE 57 5.925 -2.291 0.910 473 3HD1 ILE 57 3HD1 ILE 57 6.590 -0.641 0.960 474 H ALA 58 H ALA 58 10.753 -4.184 -2.303 475 HA ALA 58 HA ALA 58 10.950 -2.014 -4.006 476 1HB ALA 58 1HB ALA 58 13.050 -2.801 -3.846 477 2HB ALA 58 2HB ALA 58 12.465 -4.385 -3.280 478 3HB ALA 58 3HB ALA 58 12.608 -4.061 -5.024 479 H HIS 59 H HIS 59 9.269 -1.664 -5.450 480 HA HIS 59 HA HIS 59 9.296 -3.256 -7.782 481 1HB HIS 59 1HB HIS 59 7.880 -4.605 -6.117 482 2HB HIS 59 2HB HIS 59 6.682 -3.335 -6.271 483 HD1 HIS 59 1HD HIS 59 8.764 -4.775 -9.134 484 HD2 HIS 59 2HD HIS 59 4.794 -4.664 -7.781 485 HE1 HIS 59 1HE HIS 59 7.351 -5.834 -10.976 486 H ARG 60 H ARG 60 6.698 -1.364 -6.088 487 HA ARG 60 HA ARG 60 7.305 1.027 -7.281 488 1HB ARG 60 1HB ARG 60 5.561 1.192 -9.051 489 2HB ARG 60 2HB ARG 60 6.717 -0.070 -9.430 490 1HG ARG 60 1HG ARG 60 5.190 -1.814 -8.694 491 2HG ARG 60 2HG ARG 60 4.095 -0.644 -7.983 492 1HD ARG 60 1HD ARG 60 2.998 -0.994 -10.005 493 2HD ARG 60 2HD ARG 60 4.035 0.335 -10.482 494 HE ARG 60 HE ARG 60 5.181 -1.123 -11.898 495 1HH1 ARG 60 1HH1 ARG 60 5.217 -4.608 -12.083 496 2HH1 ARG 60 2HH1 ARG 60 5.740 -3.134 -12.827 497 1HH2 ARG 60 1HH2 ARG 60 3.948 -4.540 -10.141 498 2HH2 ARG 60 2HH2 ARG 60 3.524 -3.014 -9.437 499 H LEU 61 H LEU 61 4.764 2.217 -7.598 500 HA LEU 61 HA LEU 61 3.540 1.636 -4.991 501 1HB LEU 61 1HB LEU 61 2.735 4.143 -5.513 502 2HB LEU 61 2HB LEU 61 4.160 3.731 -4.580 503 HG LEU 61 HG LEU 61 4.578 5.522 -6.212 504 1HD1 LEU 61 1HD1 LEU 61 6.182 3.348 -5.649 505 2HD1 LEU 61 2HD1 LEU 61 6.260 3.461 -7.424 506 3HD1 LEU 61 3HD1 LEU 61 6.699 4.865 -6.421 507 1HD2 LEU 61 1HD2 LEU 61 4.811 4.350 -8.678 508 2HD2 LEU 61 2HD2 LEU 61 3.320 3.607 -8.050 509 3HD2 LEU 61 3HD2 LEU 61 3.459 5.380 -8.145 510 H ALA 62 H ALA 62 1.146 2.948 -5.213 511 HA ALA 62 HA ALA 62 -0.087 1.611 -7.525 512 1HB ALA 62 1HB ALA 62 -0.574 0.521 -5.342 513 2HB ALA 62 2HB ALA 62 -1.233 2.061 -4.739 514 3HB ALA 62 3HB ALA 62 -2.033 1.217 -6.087 515 H SER 63 H SER 63 -1.018 4.074 -5.016 516 HA SER 63 HA SER 63 -1.819 6.083 -5.187 517 1HB SER 63 1HB SER 63 -0.216 5.911 -7.710 518 2HB SER 63 2HB SER 63 -1.385 7.214 -7.631 519 HG SER 63 HG SER 63 0.380 6.757 -5.412 520 H VAL 64 H VAL 64 -4.046 5.903 -5.084 521 HA VAL 64 HA VAL 64 -5.420 5.540 -7.654 522 HB VAL 64 HB VAL 64 -6.046 4.313 -4.965 523 1HG1 VAL 64 1HG1 VAL 64 -7.838 3.472 -7.068 524 2HG1 VAL 64 2HG1 VAL 64 -8.213 4.183 -5.479 525 3HG1 VAL 64 3HG1 VAL 64 -7.906 5.241 -6.878 526 1HG2 VAL 64 1HG2 VAL 64 -4.510 3.379 -7.093 527 2HG2 VAL 64 2HG2 VAL 64 -5.206 2.404 -5.777 528 3HG2 VAL 64 3HG2 VAL 64 -6.085 2.581 -7.314 529 H ASN 65 H ASN 65 -7.248 5.871 -4.693 530 HA ASN 65 HA ASN 65 -8.676 7.981 -5.473 531 1HB ASN 65 1HB ASN 65 -8.992 6.569 -3.367 532 2HB ASN 65 2HB ASN 65 -7.739 7.518 -2.592 533 1HD2 ASN 65 1HD2 ASN 65 -10.760 7.885 -4.431 534 2HD2 ASN 65 2HD2 ASN 65 -11.402 9.225 -3.541 535 H LEU 66 H LEU 66 -5.851 8.137 -3.158 536 HA LEU 66 HA LEU 66 -4.622 10.297 -4.408 537 1HB LEU 66 1HB LEU 66 -6.909 11.160 -3.199 538 2HB LEU 66 2HB LEU 66 -5.741 11.387 -1.912 539 HG LEU 66 HG LEU 66 -4.435 12.472 -4.094 540 1HD1 LEU 66 1HD1 LEU 66 -7.391 12.766 -4.451 541 2HD1 LEU 66 2HD1 LEU 66 -6.330 14.139 -4.849 542 3HD1 LEU 66 3HD1 LEU 66 -6.102 12.572 -5.664 543 1HD2 LEU 66 1HD2 LEU 66 -4.841 14.614 -3.026 544 2HD2 LEU 66 2HD2 LEU 66 -6.192 13.923 -2.096 545 3HD2 LEU 66 3HD2 LEU 66 -4.529 13.362 -1.801 546 H SER 67 H SER 67 -2.765 9.079 -4.037 547 HA SER 67 HA SER 67 -2.244 8.084 -1.435 548 1HB SER 67 1HB SER 67 -1.005 7.956 -4.122 549 2HB SER 67 2HB SER 67 0.169 7.981 -2.820 550 HG SER 67 HG SER 67 -1.561 6.260 -1.917 551 H ARG 68 H ARG 68 -0.866 10.691 -3.557 552 HA ARG 68 HA ARG 68 0.580 11.667 -1.255 553 1HB ARG 68 1HB ARG 68 1.466 11.391 -3.769 554 2HB ARG 68 2HB ARG 68 0.712 12.958 -3.993 555 1HG ARG 68 1HG ARG 68 2.202 14.047 -2.560 556 2HG ARG 68 2HG ARG 68 2.473 12.624 -1.576 557 1HD ARG 68 1HD ARG 68 4.473 12.523 -2.705 558 2HD ARG 68 2HD ARG 68 3.521 11.741 -3.951 559 HE ARG 68 HE ARG 68 4.589 14.481 -4.018 560 1HH1 ARG 68 1HH1 ARG 68 3.308 15.063 -7.211 561 2HH1 ARG 68 2HH1 ARG 68 4.372 15.642 -5.974 562 1HH2 ARG 68 1HH2 ARG 68 2.099 13.109 -6.882 563 2HH2 ARG 68 2HH2 ARG 68 2.263 12.230 -5.398 564 H LEU 69 H LEU 69 0.690 14.290 -1.285 565 HA LEU 69 HA LEU 69 -1.879 15.427 -2.001 566 1HB LEU 69 1HB LEU 69 -2.347 16.257 0.206 567 2HB LEU 69 2HB LEU 69 -2.282 14.506 0.208 568 HG LEU 69 HG LEU 69 0.313 15.612 0.880 569 1HD1 LEU 69 1HD1 LEU 69 -1.657 16.267 3.019 570 2HD1 LEU 69 2HD1 LEU 69 -0.068 16.982 2.658 571 3HD1 LEU 69 3HD1 LEU 69 -1.482 17.408 1.665 572 1HD2 LEU 69 1HD2 LEU 69 -1.604 13.585 1.869 573 2HD2 LEU 69 2HD2 LEU 69 0.157 13.492 1.630 574 3HD2 LEU 69 3HD2 LEU 69 -0.503 14.278 3.084 575 HA PRO 70 HA PRO 70 1.546 18.192 -2.783 576 1HB PRO 70 1HB PRO 70 0.727 19.024 -5.254 577 2HB PRO 70 2HB PRO 70 1.816 17.673 -5.011 578 1HG PRO 70 1HG PRO 70 -1.049 17.637 -5.738 579 2HG PRO 70 2HG PRO 70 0.141 16.362 -5.903 580 1HD PRO 70 1HD PRO 70 -1.902 16.554 -3.898 581 2HD PRO 70 2HD PRO 70 -0.638 15.342 -3.995 582 H TYR 71 H TYR 71 1.555 19.995 -1.612 583 HA TYR 71 HA TYR 71 -0.895 21.351 -1.188 584 1HB TYR 71 1HB TYR 71 0.518 22.622 0.291 585 2HB TYR 71 2HB TYR 71 1.363 21.090 0.200 586 HD1 TYR 71 1HD TYR 71 2.507 23.869 0.913 587 HD2 TYR 71 2HD TYR 71 2.381 21.641 -2.738 588 HE1 TYR 71 1HE TYR 71 4.597 25.067 0.100 589 HE2 TYR 71 2HE TYR 71 4.472 22.847 -3.537 590 HH TYR 71 HH TYR 71 6.382 23.983 -2.546 591 H GLU 72 H GLU 72 -0.567 24.002 -1.330 592 HA GLU 72 HA GLU 72 -0.067 24.423 -4.172 593 1HB GLU 72 1HB GLU 72 -2.310 25.097 -2.460 594 2HB GLU 72 2HB GLU 72 -1.618 26.573 -3.101 595 1HG GLU 72 1HG GLU 72 -3.201 25.905 -4.751 596 2HG GLU 72 2HG GLU 72 -1.654 25.423 -5.419 597 HA PRO 73 HA PRO 73 2.938 27.355 -3.075 598 1HB PRO 73 1HB PRO 73 2.962 28.995 -5.260 599 2HB PRO 73 2HB PRO 73 3.764 27.437 -5.222 600 1HG PRO 73 1HG PRO 73 1.242 28.190 -6.567 601 2HG PRO 73 2HG PRO 73 2.266 26.797 -6.856 602 1HD PRO 73 1HD PRO 73 -0.222 26.832 -5.430 603 2HD PRO 73 2HD PRO 73 0.858 25.465 -5.619 604 H LYS 74 H LYS 74 3.469 29.837 -3.001 605 HA LYS 74 HA LYS 74 1.571 31.730 -2.977 606 1HB LYS 74 1HB LYS 74 0.976 29.803 -0.892 607 2HB LYS 74 2HB LYS 74 1.286 31.382 -0.199 608 1HG LYS 74 1HG LYS 74 -0.276 32.099 -2.341 609 2HG LYS 74 2HG LYS 74 -0.923 30.504 -2.015 610 1HD LYS 74 1HD LYS 74 -2.204 32.095 -0.703 611 2HD LYS 74 2HD LYS 74 -1.221 31.164 0.410 612 1HE LYS 74 2HE LYS 74 0.121 32.970 0.962 613 2HE LYS 74 3HE LYS 74 0.063 33.649 -0.652 614 1HZ LYS 74 1HZ LYS 74 -1.431 35.036 0.145 615 2HZ LYS 74 2HZ LYS 74 -2.490 33.802 0.286 616 3HZ LYS 74 3HZ LYS 74 -1.566 34.235 1.561 617 H LEU 75 H LEU 75 2.165 33.630 -1.499 618 HA LEU 75 HA LEU 75 3.665 34.958 -0.556 619 1HB LEU 75 1HB LEU 75 4.461 32.359 0.375 620 2HB LEU 75 2HB LEU 75 5.888 33.332 0.072 621 HG LEU 75 HG LEU 75 5.186 33.525 2.386 622 1HD1 LEU 75 1HD1 LEU 75 5.678 35.679 0.636 623 2HD1 LEU 75 2HD1 LEU 75 4.400 36.221 1.752 624 3HD1 LEU 75 3HD1 LEU 75 5.943 35.609 2.395 625 1HD2 LEU 75 1HD2 LEU 75 3.013 33.323 2.837 626 2HD2 LEU 75 2HD2 LEU 75 2.881 35.052 2.433 627 3HD2 LEU 75 3HD2 LEU 75 2.536 33.820 1.195 628 H LYS 76 H LYS 76 4.666 36.383 -1.862 629 HA LYS 76 HA LYS 76 6.555 35.268 -3.817 630 1HB LYS 76 1HB LYS 76 5.828 36.894 -5.431 631 2HB LYS 76 2HB LYS 76 4.432 35.997 -4.868 632 1HG LYS 76 1HG LYS 76 5.079 38.476 -3.320 633 2HG LYS 76 2HG LYS 76 4.545 38.734 -4.969 634 1HD LYS 76 1HD LYS 76 2.517 37.327 -4.527 635 2HD LYS 76 2HD LYS 76 3.050 37.084 -2.875 636 1HE LYS 76 2HE LYS 76 2.582 39.859 -4.055 637 2HE LYS 76 3HE LYS 76 1.319 38.955 -3.244 638 1HZ LYS 76 1HZ LYS 76 2.358 40.322 -1.663 639 2HZ LYS 76 2HZ LYS 76 2.861 38.804 -1.329 640 3HZ LYS 76 3HZ LYS 76 3.863 39.848 -2.087
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