NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22615 | 2jpn | 15252 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H1 GLY 1 21.891 -9.732 13.880 2 2H GLY 1 H2 GLY 1 23.254 -10.210 13.110 3 3H GLY 1 H3 GLY 1 22.448 -11.259 14.073 4 1HA GLY 1 HA2 GLY 1 22.012 -11.804 11.774 5 2HA GLY 1 HA3 GLY 1 20.538 -11.267 12.594 6 H SER 2 H SER 2 19.820 -10.871 10.374 7 HA SER 2 HA SER 2 20.936 -8.982 8.606 8 1HB SER 2 HB2 SER 2 18.004 -9.717 8.976 9 2HB SER 2 HB3 SER 2 18.717 -8.943 7.552 10 HG SER 2 HG SER 2 18.507 -11.207 7.285 11 H HIS 3 H HIS 3 20.536 -6.845 8.114 12 HA HIS 3 HA HIS 3 18.742 -5.149 9.688 13 1HB HIS 3 HB2 HIS 3 20.802 -5.306 11.091 14 2HB HIS 3 HB3 HIS 3 21.755 -4.708 9.734 15 HD2 HIS 3 HD2 HIS 3 22.527 -2.378 10.596 16 HE1 HIS 3 HE1 HIS 3 18.752 -0.730 11.679 17 HE2 HIS 3 HE2 HIS 3 21.227 -0.237 11.418 18 H MET 4 H MET 4 18.907 -2.826 8.883 19 HA MET 4 HA MET 4 18.628 -2.552 6.058 20 1HB MET 4 HB2 MET 4 19.299 -0.460 8.178 21 2HB MET 4 HB3 MET 4 18.792 -0.104 6.526 22 1HG MET 4 HG2 MET 4 16.642 -1.277 6.941 23 2HG MET 4 HG3 MET 4 17.128 -1.580 8.605 24 1HE MET 4 HE1 MET 4 14.849 -0.554 9.431 25 2HE MET 4 HE2 MET 4 14.270 1.072 9.000 26 3HE MET 4 HE3 MET 4 14.364 -0.196 7.757 27 H LEU 5 H LEU 5 19.954 -2.043 4.425 28 HA LEU 5 HA LEU 5 22.829 -2.338 4.856 29 1HB LEU 5 HB2 LEU 5 21.257 -1.994 2.275 30 2HB LEU 5 HB3 LEU 5 22.984 -2.276 2.427 31 HG LEU 5 HG LEU 5 22.198 -4.366 3.902 32 1HD1 LEU 5 1HD1 LEU 5 19.758 -3.978 3.641 33 2HD1 LEU 5 2HD1 LEU 5 19.945 -4.097 1.871 34 3HD1 LEU 5 3HD1 LEU 5 20.269 -5.495 2.914 35 1HD2 LEU 5 1HD2 LEU 5 22.230 -4.317 0.854 36 2HD2 LEU 5 2HD2 LEU 5 23.641 -4.479 1.925 37 3HD2 LEU 5 3HD2 LEU 5 22.423 -5.756 1.878 38 H LEU 6 H LEU 6 20.806 0.330 4.819 39 HA LEU 6 HA LEU 6 21.027 2.501 5.081 40 1HB LEU 6 HB2 LEU 6 22.536 1.606 6.832 41 2HB LEU 6 HB3 LEU 6 23.907 1.858 5.756 42 HG LEU 6 HG LEU 6 23.537 4.305 5.815 43 1HD1 LEU 6 1HD1 LEU 6 21.310 3.624 7.786 44 2HD1 LEU 6 2HD1 LEU 6 21.961 5.256 7.502 45 3HD1 LEU 6 3HD1 LEU 6 21.105 4.415 6.205 46 1HD2 LEU 6 1HD2 LEU 6 25.012 3.237 7.459 47 2HD2 LEU 6 2HD2 LEU 6 24.206 4.656 8.137 48 3HD2 LEU 6 3HD2 LEU 6 23.643 3.025 8.567 49 H GLU 7 H GLU 7 23.191 1.309 2.683 50 HA GLU 7 HA GLU 7 23.381 3.998 1.346 51 1HB GLU 7 HB2 GLU 7 25.450 1.767 1.387 52 2HB GLU 7 HB3 GLU 7 25.605 3.333 0.568 53 1HG GLU 7 HG2 GLU 7 25.409 4.473 2.787 54 2HG GLU 7 HG3 GLU 7 25.430 2.888 3.573 55 H PHE 8 H PHE 8 21.499 1.667 0.932 56 HA PHE 8 HA PHE 8 21.791 1.333 -2.018 57 1HB PHE 8 HB2 PHE 8 21.404 -0.922 0.001 58 2HB PHE 8 HB3 PHE 8 21.249 -1.100 -1.728 59 HD1 PHE 8 HD1 PHE 8 23.654 -0.600 1.039 60 HD2 PHE 8 HD2 PHE 8 23.190 -1.110 -3.221 61 HE1 PHE 8 HE1 PHE 8 26.080 -1.089 0.837 62 HE2 PHE 8 HE2 PHE 8 25.615 -1.600 -3.420 63 HZ PHE 8 HZ PHE 8 27.064 -1.592 -1.390 64 H LYS 9 H LYS 9 19.854 0.421 -3.038 65 HA LYS 9 HA LYS 9 17.371 1.630 -2.089 66 1HB LYS 9 HB2 LYS 9 18.009 -0.145 -4.472 67 2HB LYS 9 HB3 LYS 9 16.463 0.668 -4.189 68 1HG LYS 9 HG2 LYS 9 17.552 2.873 -4.246 69 2HG LYS 9 HG3 LYS 9 19.127 2.130 -4.532 70 1HD LYS 9 HD2 LYS 9 16.741 1.946 -6.411 71 2HD LYS 9 HD3 LYS 9 18.130 3.027 -6.590 72 1HE LYS 9 HE2 LYS 9 19.640 1.067 -6.752 73 2HE LYS 9 HE3 LYS 9 18.240 -0.017 -6.621 74 1HZ LYS 9 HZ1 LYS 9 18.899 0.314 -8.899 75 2HZ LYS 9 HZ2 LYS 9 17.402 0.932 -8.666 76 3HZ LYS 9 HZ3 LYS 9 18.701 1.935 -8.794 77 H GLN 10 H GLN 10 18.694 -1.599 -1.893 78 HA GLN 10 HA GLN 10 16.482 -2.901 -2.794 79 1HB GLN 10 HB2 GLN 10 18.348 -4.327 -0.899 80 2HB GLN 10 HB3 GLN 10 17.418 -5.010 -2.245 81 1HG GLN 10 HG2 GLN 10 18.807 -3.545 -3.793 82 2HG GLN 10 HG3 GLN 10 19.745 -3.106 -2.341 83 1HE2 GLN 10 2HE2 GLN 10 20.879 -4.321 -4.678 84 2HE2 GLN 10 1HE2 GLN 10 21.456 -5.916 -4.188 85 H PHE 11 H PHE 11 17.339 -2.423 0.532 86 HA PHE 11 HA PHE 11 15.337 -4.093 1.634 87 1HB PHE 11 HB2 PHE 11 15.847 -3.042 3.817 88 2HB PHE 11 HB3 PHE 11 17.237 -3.690 2.957 89 HD1 PHE 11 HD2 PHE 11 18.737 -2.136 1.622 90 HD2 PHE 11 HD1 PHE 11 15.977 -0.798 4.651 91 HE1 PHE 11 HE2 PHE 11 19.878 0.009 1.685 92 HE2 PHE 11 HE1 PHE 11 17.217 1.337 4.825 93 HZ PHE 11 HZ PHE 11 19.171 1.773 3.339 94 H LEU 12 H LEU 12 15.347 -0.749 0.606 95 HA LEU 12 HA LEU 12 12.765 -0.024 1.772 96 1HB LEU 12 HB2 LEU 12 14.718 1.301 -0.127 97 2HB LEU 12 HB3 LEU 12 13.044 1.787 -0.095 98 HG LEU 12 HG LEU 12 13.529 1.837 2.588 99 1HD1 LEU 12 1HD1 LEU 12 15.746 2.719 3.005 100 2HD1 LEU 12 2HD1 LEU 12 15.906 1.160 2.170 101 3HD1 LEU 12 3HD1 LEU 12 16.154 2.659 1.273 102 1HD2 LEU 12 1HD2 LEU 12 13.751 4.280 2.210 103 2HD2 LEU 12 2HD2 LEU 12 14.049 3.957 0.482 104 3HD2 LEU 12 3HD2 LEU 12 12.490 3.529 1.200 105 H TYR 13 H TYR 13 14.073 -1.074 -1.320 106 HA TYR 13 HA TYR 13 11.633 -0.626 -2.731 107 1HB TYR 13 HB2 TYR 13 14.325 -1.828 -3.332 108 2HB TYR 13 HB3 TYR 13 13.045 -2.036 -4.484 109 HD1 TYR 13 HD1 TYR 13 13.387 1.034 -2.304 110 HD2 TYR 13 HD2 TYR 13 13.956 -0.606 -6.258 111 HE1 TYR 13 HE1 TYR 13 13.583 3.254 -3.126 112 HE2 TYR 13 HE2 TYR 13 14.286 1.703 -7.109 113 HH TYR 13 HH TYR 13 14.048 4.580 -5.016 114 H GLU 14 H GLU 14 12.796 -3.438 -1.028 115 HA GLU 14 HA GLU 14 10.476 -5.139 -1.672 116 1HB GLU 14 HB2 GLU 14 12.669 -6.022 -0.871 117 2HB GLU 14 HB3 GLU 14 12.392 -5.243 0.695 118 1HG GLU 14 HG2 GLU 14 10.419 -6.667 1.084 119 2HG GLU 14 HG3 GLU 14 10.557 -7.331 -0.555 120 H ALA 15 H ALA 15 11.301 -2.779 0.829 121 HA ALA 15 HA ALA 15 9.430 -3.141 2.821 122 1HB ALA 15 HB1 ALA 15 10.011 -0.376 1.674 123 2HB ALA 15 HB2 ALA 15 9.654 -0.808 3.339 124 3HB ALA 15 HB3 ALA 15 11.229 -1.263 2.647 125 H SER 16 H SER 16 9.075 -1.452 -0.170 126 HA SER 16 HA SER 16 6.952 0.204 0.211 127 1HB SER 16 HB2 SER 16 8.283 -1.250 -2.042 128 2HB SER 16 HB3 SER 16 6.903 -0.198 -2.452 129 HG SER 16 HG SER 16 8.266 1.405 -2.307 130 H ILE 17 H ILE 17 6.887 -3.158 -0.673 131 HA ILE 17 HA ILE 17 3.960 -3.272 -1.296 132 HB ILE 17 HB ILE 17 6.487 -3.541 -2.851 133 1HG1 ILE 17 2HG1 ILE 17 5.452 -2.555 -4.604 134 2HG1 ILE 17 3HG1 ILE 17 3.930 -3.328 -4.355 135 1HG2 ILE 17 1HG2 ILE 17 5.797 -5.156 -4.496 136 2HG2 ILE 17 2HG2 ILE 17 6.003 -5.882 -2.904 137 3HG2 ILE 17 3HG2 ILE 17 4.363 -5.562 -3.521 138 1HD1 ILE 17 1HD1 ILE 17 3.358 -1.664 -2.564 139 2HD1 ILE 17 2HD1 ILE 17 4.912 -0.863 -2.897 140 3HD1 ILE 17 3HD1 ILE 17 3.674 -0.938 -4.111 141 H ASP 18 H ASP 18 5.836 -4.250 0.970 142 HA ASP 18 HA ASP 18 6.176 -7.094 0.776 143 1HB ASP 18 HB2 ASP 18 7.614 -5.624 2.151 144 2HB ASP 18 HB3 ASP 18 6.243 -5.246 3.203 145 H GLU 19 H GLU 19 3.804 -5.148 2.506 146 HA GLU 19 HA GLU 19 1.912 -7.469 2.547 147 1HB GLU 19 HB2 GLU 19 0.994 -6.843 4.685 148 2HB GLU 19 HB3 GLU 19 2.687 -7.303 4.818 149 1HG GLU 19 HG2 GLU 19 3.382 -5.034 5.182 150 2HG GLU 19 HG3 GLU 19 1.844 -4.370 4.644 151 H PHE 20 H PHE 20 2.306 -4.016 2.177 152 HA PHE 20 HA PHE 20 -0.307 -3.103 2.459 153 1HB PHE 20 HB2 PHE 20 2.165 -2.038 1.962 154 2HB PHE 20 HB3 PHE 20 1.553 -1.947 0.321 155 HD1 PHE 20 HD1 PHE 20 -1.173 -1.022 0.437 156 HD2 PHE 20 HD2 PHE 20 2.153 -0.027 3.007 157 HE1 PHE 20 HE1 PHE 20 -2.208 1.156 0.921 158 HE2 PHE 20 HE2 PHE 20 1.086 2.141 3.518 159 HZ PHE 20 HZ PHE 20 -1.070 2.740 2.490 160 H MET 21 H MET 21 1.260 -4.055 -0.575 161 HA MET 21 HA MET 21 -0.875 -3.720 -2.403 162 1HB MET 21 HB2 MET 21 1.591 -5.461 -2.188 163 2HB MET 21 HB3 MET 21 0.439 -5.880 -3.435 164 1HG MET 21 HG2 MET 21 1.647 -3.117 -3.066 165 2HG MET 21 HG3 MET 21 2.248 -4.424 -4.157 166 1HE MET 21 HE1 MET 21 -1.365 -5.106 -4.870 167 2HE MET 21 HE2 MET 21 -1.078 -4.659 -6.557 168 3HE MET 21 HE3 MET 21 0.100 -5.699 -5.729 169 H GLY 22 H GLY 22 -0.193 -6.241 -0.100 170 1HA GLY 22 HA2 GLY 22 -2.304 -8.052 -0.986 171 2HA GLY 22 HA3 GLY 22 -1.300 -8.223 0.491 172 H LYS 23 H LYS 23 -2.075 -5.225 1.153 173 HA LYS 23 HA LYS 23 -4.161 -6.094 2.865 174 1HB LYS 23 HB2 LYS 23 -3.355 -4.697 4.356 175 2HB LYS 23 HB3 LYS 23 -1.929 -4.829 3.371 176 1HG LYS 23 HG2 LYS 23 -2.553 -2.757 2.254 177 2HG LYS 23 HG3 LYS 23 -3.915 -2.634 3.273 178 1HD LYS 23 HD2 LYS 23 -1.139 -3.028 4.425 179 2HD LYS 23 HD3 LYS 23 -1.720 -1.390 4.042 180 1HE LYS 23 HE2 LYS 23 -3.441 -1.556 5.708 181 2HE LYS 23 HE3 LYS 23 -3.273 -3.324 5.724 182 1HZ LYS 23 HZ1 LYS 23 -2.275 -2.320 7.696 183 2HZ LYS 23 HZ2 LYS 23 -1.133 -3.081 6.815 184 3HZ LYS 23 HZ3 LYS 23 -1.239 -1.447 6.780 185 H ILE 24 H ILE 24 -3.461 -3.843 0.230 186 HA ILE 24 HA ILE 24 -6.243 -3.041 -0.134 187 HB ILE 24 HB ILE 24 -5.161 -2.504 -2.473 188 1HG1 ILE 24 2HG1 ILE 24 -2.656 -2.210 -1.018 189 2HG1 ILE 24 3HG1 ILE 24 -3.064 -3.440 -2.274 190 1HG2 ILE 24 1HG2 ILE 24 -5.994 -0.993 -0.410 191 2HG2 ILE 24 2HG2 ILE 24 -4.268 -0.908 -0.017 192 3HG2 ILE 24 3HG2 ILE 24 -4.901 -0.313 -1.576 193 1HD1 ILE 24 1HD1 ILE 24 -1.925 -1.971 -3.341 194 2HD1 ILE 24 2HD1 ILE 24 -3.648 -1.792 -3.789 195 3HD1 ILE 24 3HD1 ILE 24 -2.847 -0.643 -2.624 196 H ALA 25 H ALA 25 -4.190 -5.549 -1.732 197 HA ALA 25 HA ALA 25 -6.240 -6.284 -3.587 198 1HB ALA 25 HB1 ALA 25 -4.022 -8.014 -2.441 199 2HB ALA 25 HB2 ALA 25 -5.029 -8.418 -3.841 200 3HB ALA 25 HB3 ALA 25 -3.952 -7.022 -3.913 201 H SER 26 H SER 26 -5.842 -6.903 -0.215 202 HA SER 26 HA SER 26 -8.057 -8.815 -0.113 203 1HB SER 26 HB2 SER 26 -5.986 -9.505 1.005 204 2HB SER 26 HB3 SER 26 -6.034 -8.025 1.999 205 HG SER 26 HG SER 26 -8.162 -8.756 2.632 206 H CYS 27 H CYS 27 -8.201 -5.589 -0.294 207 HA CYS 27 HA CYS 27 -8.829 -4.880 2.279 208 1HB CYS 27 HB2 CYS 27 -9.539 -2.804 1.368 209 2HB CYS 27 HB3 CYS 27 -8.104 -3.379 0.486 210 HG CYS 27 HG CYS 27 -8.942 -4.042 -1.607 211 H GLN 28 H GLN 28 -10.847 -6.282 -0.118 212 HA GLN 28 HA GLN 28 -12.879 -7.165 -0.323 213 1HB GLN 28 HB2 GLN 28 -12.942 -6.908 2.705 214 2HB GLN 28 HB3 GLN 28 -14.112 -7.839 1.777 215 1HG GLN 28 HG2 GLN 28 -12.603 -9.522 1.260 216 2HG GLN 28 HG3 GLN 28 -11.194 -8.474 1.440 217 1HE2 GLN 28 1HE2 GLN 28 -10.418 -7.929 3.510 218 2HE2 GLN 28 2HE2 GLN 28 -10.971 -8.762 4.965 219 H THR 29 H THR 29 -12.681 -4.019 0.553 220 HA THR 29 HA THR 29 -15.545 -3.338 0.146 221 HB THR 29 HB THR 29 -15.317 -1.840 2.201 222 HG1 THR 29 HG1 THR 29 -13.159 -3.577 2.698 223 1HG2 THR 29 1HG2 THR 29 -15.437 -4.814 2.878 224 2HG2 THR 29 2HG2 THR 29 -16.149 -3.476 3.806 225 3HG2 THR 29 3HG2 THR 29 -16.793 -3.876 2.209 226 H LEU 30 H LEU 30 -15.718 -1.203 -0.613 227 HA LEU 30 HA LEU 30 -13.144 -0.128 -1.589 228 1HB LEU 30 HB2 LEU 30 -15.492 0.172 -2.820 229 2HB LEU 30 HB3 LEU 30 -15.740 1.345 -1.563 230 HG LEU 30 HG LEU 30 -13.037 1.812 -2.303 231 1HD1 LEU 30 1HD1 LEU 30 -13.283 2.246 -4.708 232 2HD1 LEU 30 2HD1 LEU 30 -12.845 0.671 -4.078 233 3HD1 LEU 30 3HD1 LEU 30 -14.499 1.010 -4.654 234 1HD2 LEU 30 1HD2 LEU 30 -14.656 3.344 -1.683 235 2HD2 LEU 30 2HD2 LEU 30 -13.755 3.788 -3.235 236 3HD2 LEU 30 3HD2 LEU 30 -15.441 3.116 -3.316 237 H GLU 31 H GLU 31 -15.651 0.394 0.728 238 HA GLU 31 HA GLU 31 -14.925 2.806 1.765 239 1HB GLU 31 HB2 GLU 31 -16.976 1.113 1.939 240 2HB GLU 31 HB3 GLU 31 -16.082 0.377 3.280 241 1HG GLU 31 HG2 GLU 31 -15.966 2.515 4.295 242 2HG GLU 31 HG3 GLU 31 -17.073 3.242 3.110 243 H GLY 32 H GLY 32 -13.789 -0.401 2.498 244 1HA GLY 32 HA2 GLY 32 -11.871 0.540 4.470 245 2HA GLY 32 HA3 GLY 32 -11.965 -1.131 3.837 246 H LEU 33 H LEU 33 -11.642 -0.318 1.044 247 HA LEU 33 HA LEU 33 -8.834 -0.013 0.830 248 1HB LEU 33 HB2 LEU 33 -10.547 -0.839 -0.850 249 2HB LEU 33 HB3 LEU 33 -11.254 0.666 -1.008 250 HG LEU 33 HG LEU 33 -9.451 1.681 -2.209 251 1HD1 LEU 33 1HD1 LEU 33 -7.469 0.351 -2.848 252 2HD1 LEU 33 2HD1 LEU 33 -7.473 0.902 -1.158 253 3HD1 LEU 33 3HD1 LEU 33 -7.858 -0.804 -1.552 254 1HD2 LEU 33 1HD2 LEU 33 -9.618 -1.180 -3.131 255 2HD2 LEU 33 2HD2 LEU 33 -10.936 0.001 -3.336 256 3HD2 LEU 33 3HD2 LEU 33 -9.369 0.279 -4.107 257 H GLU 34 H GLU 34 -11.336 2.292 0.572 258 HA GLU 34 HA GLU 34 -9.995 4.730 0.211 259 1HB GLU 34 HB2 GLU 34 -12.562 3.779 1.334 260 2HB GLU 34 HB3 GLU 34 -12.185 5.519 1.485 261 1HG GLU 34 HG2 GLU 34 -12.212 3.979 -1.201 262 2HG GLU 34 HG3 GLU 34 -13.545 4.868 -0.456 263 H GLU 35 H GLU 35 -10.650 2.886 3.112 264 HA GLU 35 HA GLU 35 -9.616 4.886 5.065 265 1HB GLU 35 HB2 GLU 35 -10.198 1.925 5.467 266 2HB GLU 35 HB3 GLU 35 -9.601 3.002 6.709 267 1HG GLU 35 HG2 GLU 35 -12.061 3.871 5.272 268 2HG GLU 35 HG3 GLU 35 -12.197 2.443 6.331 269 H LEU 36 H LEU 36 -8.519 1.884 3.534 270 HA LEU 36 HA LEU 36 -5.870 1.939 4.387 271 1HB LEU 36 HB2 LEU 36 -6.707 0.899 1.672 272 2HB LEU 36 HB3 LEU 36 -5.202 0.587 2.486 273 HG LEU 36 HG LEU 36 -7.848 -0.320 3.626 274 1HD1 LEU 36 1HD1 LEU 36 -7.217 -2.528 2.780 275 2HD1 LEU 36 2HD1 LEU 36 -7.391 -1.414 1.422 276 3HD1 LEU 36 3HD1 LEU 36 -5.773 -1.830 1.999 277 1HD2 LEU 36 1HD2 LEU 36 -6.182 -0.087 5.221 278 2HD2 LEU 36 2HD2 LEU 36 -6.330 -1.817 4.820 279 3HD2 LEU 36 3HD2 LEU 36 -4.986 -0.848 4.141 280 H GLU 37 H GLU 37 -7.443 3.567 1.575 281 HA GLU 37 HA GLU 37 -5.277 4.736 0.558 282 1HB GLU 37 HB2 GLU 37 -7.603 4.616 -0.302 283 2HB GLU 37 HB3 GLU 37 -8.024 6.082 0.500 284 1HG GLU 37 HG2 GLU 37 -5.638 5.752 -1.327 285 2HG GLU 37 HG3 GLU 37 -7.232 6.013 -2.061 286 H ALA 38 H ALA 38 -7.546 5.988 2.982 287 HA ALA 38 HA ALA 38 -6.157 8.416 3.325 288 1HB ALA 38 HB1 ALA 38 -8.473 8.050 4.197 289 2HB ALA 38 HB2 ALA 38 -7.852 6.850 5.355 290 3HB ALA 38 HB3 ALA 38 -7.399 8.549 5.531 291 H TYR 39 H TYR 39 -5.825 5.206 4.967 292 HA TYR 39 HA TYR 39 -3.885 5.982 6.826 293 1HB TYR 39 HB2 TYR 39 -4.611 3.970 7.484 294 2HB TYR 39 HB3 TYR 39 -5.005 3.486 5.854 295 HD1 TYR 39 HD1 TYR 39 -2.145 3.588 8.291 296 HD2 TYR 39 HD2 TYR 39 -3.684 2.131 4.531 297 HE1 TYR 39 HE1 TYR 39 -0.165 2.088 8.022 298 HE2 TYR 39 HE2 TYR 39 -1.744 0.746 4.227 299 HH TYR 39 HH TYR 39 0.401 0.208 5.067 300 H TYR 40 H TYR 40 -3.480 4.886 3.477 301 HA TYR 40 HA TYR 40 -0.627 4.914 3.108 302 1HB TYR 40 HB2 TYR 40 -2.225 4.076 1.445 303 2HB TYR 40 HB3 TYR 40 -3.113 5.559 1.505 304 HD1 TYR 40 HD2 TYR 40 0.448 4.722 0.523 305 HD2 TYR 40 HD1 TYR 40 -3.312 6.629 -0.391 306 HE1 TYR 40 HE2 TYR 40 1.298 5.383 -1.711 307 HE2 TYR 40 HE1 TYR 40 -2.430 7.385 -2.537 308 HH TYR 40 HH TYR 40 0.924 7.057 -3.489 309 H LYS 41 H LYS 41 -3.074 7.547 2.667 310 HA LYS 41 HA LYS 41 -1.087 9.524 2.336 311 1HB LYS 41 HB2 LYS 41 -3.985 9.810 2.960 312 2HB LYS 41 HB3 LYS 41 -2.932 11.125 2.400 313 1HG LYS 41 HG2 LYS 41 -2.927 8.580 0.749 314 2HG LYS 41 HG3 LYS 41 -4.367 9.507 0.774 315 1HD LYS 41 HD2 LYS 41 -3.164 10.181 -1.105 316 2HD LYS 41 HD3 LYS 41 -2.943 11.536 0.040 317 1HE LYS 41 HE2 LYS 41 -0.882 9.957 0.652 318 2HE LYS 41 HE3 LYS 41 -1.082 9.375 -0.987 319 1HZ LYS 41 HZ1 LYS 41 -0.600 12.195 -0.245 320 2HZ LYS 41 HZ2 LYS 41 0.477 11.195 -0.954 321 3HZ LYS 41 HZ3 LYS 41 -0.854 11.659 -1.780 322 H LYS 42 H LYS 42 -2.647 8.493 5.379 323 HA LYS 42 HA LYS 42 -1.704 10.441 7.163 324 1HB LYS 42 HB2 LYS 42 -2.695 7.594 7.118 325 2HB LYS 42 HB3 LYS 42 -2.054 8.148 8.553 326 1HG LYS 42 HG2 LYS 42 -4.541 9.025 7.134 327 2HG LYS 42 HG3 LYS 42 -4.356 8.430 8.791 328 1HD LYS 42 HD2 LYS 42 -4.722 10.620 9.302 329 2HD LYS 42 HD3 LYS 42 -2.979 10.761 8.977 330 1HE LYS 42 HE2 LYS 42 -3.649 11.178 6.523 331 2HE LYS 42 HE3 LYS 42 -5.324 11.260 7.061 332 1HZ LYS 42 HZ1 LYS 42 -4.776 13.119 8.473 333 2HZ LYS 42 HZ2 LYS 42 -3.202 13.084 8.014 334 3HZ LYS 42 HZ3 LYS 42 -4.376 13.461 6.929 335 H ARG 43 H ARG 43 -0.397 7.283 6.079 336 HA ARG 43 HA ARG 43 1.943 7.216 7.745 337 1HB ARG 43 HB2 ARG 43 0.947 5.244 6.815 338 2HB ARG 43 HB3 ARG 43 1.064 5.874 5.175 339 1HG ARG 43 HG2 ARG 43 3.571 5.745 5.301 340 2HG ARG 43 HG3 ARG 43 3.414 4.960 6.898 341 1HD ARG 43 HD2 ARG 43 2.167 3.116 5.958 342 2HD ARG 43 HD3 ARG 43 2.008 3.937 4.404 343 HE ARG 43 HE ARG 43 4.568 2.847 5.529 344 1HH1 ARG 43 1HH1 ARG 43 2.722 3.697 2.600 345 2HH1 ARG 43 2HH1 ARG 43 3.926 2.866 1.611 346 1HH2 ARG 43 1HH2 ARG 43 6.012 1.936 4.046 347 2HH2 ARG 43 2HH2 ARG 43 5.579 2.006 2.332 348 H VAL 44 H VAL 44 1.728 8.287 4.265 349 HA VAL 44 HA VAL 44 4.456 7.716 4.231 350 HB VAL 44 HB VAL 44 4.427 8.188 2.074 351 1HG1 VAL 44 1HG1 VAL 44 2.055 6.951 1.416 352 2HG1 VAL 44 2HG1 VAL 44 3.519 6.137 2.018 353 3HG1 VAL 44 3HG1 VAL 44 2.231 6.544 3.123 354 1HG2 VAL 44 1HG2 VAL 44 2.665 9.071 0.668 355 2HG2 VAL 44 2HG2 VAL 44 1.664 9.406 2.105 356 3HG2 VAL 44 3HG2 VAL 44 3.187 10.301 1.840 357 H LYS 45 H LYS 45 3.171 10.522 5.300 358 HA LYS 45 HA LYS 45 5.541 12.216 4.990 359 1HB LYS 45 HB2 LYS 45 4.322 13.842 6.113 360 2HB LYS 45 HB3 LYS 45 3.149 12.950 5.171 361 1HG LYS 45 HG2 LYS 45 2.932 11.517 7.451 362 2HG LYS 45 HG3 LYS 45 3.700 12.947 8.117 363 1HD LYS 45 HD2 LYS 45 1.319 13.116 8.433 364 2HD LYS 45 HD3 LYS 45 1.729 14.304 7.189 365 1HE LYS 45 HE2 LYS 45 1.122 11.522 6.190 366 2HE LYS 45 HE3 LYS 45 -0.231 12.330 7.011 367 1HZ LYS 45 HZ1 LYS 45 1.226 13.513 4.726 368 2HZ LYS 45 HZ2 LYS 45 -0.228 12.758 4.655 369 3HZ LYS 45 HZ3 LYS 45 -0.066 14.165 5.497 370 H GLU 46 H GLU 46 4.304 9.929 7.257 371 HA GLU 46 HA GLU 46 6.000 10.298 9.608 372 1HB GLU 46 HB2 GLU 46 3.581 9.462 9.417 373 2HB GLU 46 HB3 GLU 46 4.373 7.932 8.984 374 1HG GLU 46 HG2 GLU 46 3.804 8.096 11.322 375 2HG GLU 46 HG3 GLU 46 5.518 7.838 11.033 376 H THR 47 H THR 47 6.239 8.882 6.609 377 HA THR 47 HA THR 47 8.926 7.886 7.109 378 HB THR 47 HB THR 47 7.691 5.874 7.515 379 HG1 THR 47 HG1 THR 47 8.663 4.565 6.206 380 1HG2 THR 47 1HG2 THR 47 6.236 4.808 5.831 381 2HG2 THR 47 2HG2 THR 47 5.576 6.322 6.476 382 3HG2 THR 47 3HG2 THR 47 6.308 6.280 4.844 383 H GLU 48 H GLU 48 8.726 6.679 4.276 384 HA GLU 48 HA GLU 48 9.121 9.264 2.880 385 1HB GLU 48 HB2 GLU 48 10.892 6.917 2.552 386 2HB GLU 48 HB3 GLU 48 11.136 8.563 1.942 387 1HG GLU 48 HG2 GLU 48 11.108 9.352 4.338 388 2HG GLU 48 HG3 GLU 48 11.115 7.666 4.825 389 H LEU 49 H LEU 49 8.400 6.029 2.351 390 HA LEU 49 HA LEU 49 7.726 4.706 0.669 391 1HB LEU 49 HB2 LEU 49 5.601 4.921 0.661 392 2HB LEU 49 HB3 LEU 49 5.848 6.393 1.523 393 HG LEU 49 HG LEU 49 4.530 7.431 0.183 394 1HD1 LEU 49 1HD1 LEU 49 6.426 8.247 -1.080 395 2HD1 LEU 49 2HD1 LEU 49 6.106 6.928 -2.239 396 3HD1 LEU 49 3HD1 LEU 49 4.886 8.169 -1.971 397 1HD2 LEU 49 1HD2 LEU 49 3.270 6.408 -1.497 398 2HD2 LEU 49 2HD2 LEU 49 4.495 5.159 -1.748 399 3HD2 LEU 49 3HD2 LEU 49 3.569 5.186 -0.244 400 H LYS 50 H LYS 50 9.644 6.937 -0.332 401 HA LYS 50 HA LYS 50 10.593 7.577 -2.269 402 1HB LYS 50 HB2 LYS 50 11.925 5.866 -3.147 403 2HB LYS 50 HB3 LYS 50 11.637 5.421 -1.519 404 1HG LYS 50 HG2 LYS 50 9.652 4.156 -3.212 405 2HG LYS 50 HG3 LYS 50 11.268 3.891 -3.866 406 1HD LYS 50 HD2 LYS 50 10.753 2.074 -2.343 407 2HD LYS 50 HD3 LYS 50 12.001 3.098 -1.599 408 1HE LYS 50 HE2 LYS 50 10.372 4.297 -0.313 409 2HE LYS 50 HE3 LYS 50 9.035 3.392 -1.067 410 1HZ LYS 50 HZ1 LYS 50 10.990 2.206 0.779 411 2HZ LYS 50 HZ2 LYS 50 9.391 2.432 1.038 412 3HZ LYS 50 HZ3 LYS 50 9.906 1.352 -0.099 413 H ASP 51 H ASP 51 10.651 6.596 -4.988 414 HA ASP 51 HA ASP 51 7.927 7.211 -5.964 415 1HB ASP 51 HB2 ASP 51 8.772 6.596 -8.106 416 2HB ASP 51 HB3 ASP 51 9.831 7.774 -7.339 417 H THR 52 H THR 52 9.789 4.279 -5.434 418 HA THR 52 HA THR 52 8.365 2.538 -6.974 419 HB THR 52 HB THR 52 9.560 2.145 -4.230 420 HG1 THR 52 HG1 THR 52 10.791 1.664 -6.733 421 1HG2 THR 52 1HG2 THR 52 9.003 -0.015 -6.284 422 2HG2 THR 52 2HG2 THR 52 10.119 -0.215 -4.916 423 3HG2 THR 52 3HG2 THR 52 8.399 0.117 -4.616 424 H ASP 53 H ASP 53 7.644 3.237 -3.475 425 HA ASP 53 HA ASP 53 5.622 1.152 -3.307 426 1HB ASP 53 HB2 ASP 53 6.834 2.319 -1.339 427 2HB ASP 53 HB3 ASP 53 5.907 3.710 -1.666 428 H ASP 54 H ASP 54 5.721 4.582 -4.090 429 HA ASP 54 HA ASP 54 2.952 5.026 -3.616 430 1HB ASP 54 HB2 ASP 54 5.017 6.600 -3.926 431 2HB ASP 54 HB3 ASP 54 4.809 6.474 -5.609 432 H ILE 55 H ILE 55 4.731 4.224 -6.536 433 HA ILE 55 HA ILE 55 2.329 4.488 -8.230 434 HB ILE 55 HB ILE 55 4.515 2.942 -9.478 435 1HG1 ILE 55 2HG1 ILE 55 5.602 5.499 -9.860 436 2HG1 ILE 55 3HG1 ILE 55 5.290 5.433 -8.151 437 1HG2 ILE 55 1HG2 ILE 55 3.984 4.416 -11.352 438 2HG2 ILE 55 2HG2 ILE 55 2.501 3.791 -10.625 439 3HG2 ILE 55 3HG2 ILE 55 3.008 5.456 -10.286 440 1HD1 ILE 55 1HD1 ILE 55 7.531 4.474 -8.672 441 2HD1 ILE 55 2HD1 ILE 55 6.457 3.163 -8.077 442 3HD1 ILE 55 3HD1 ILE 55 6.793 3.332 -9.807 443 H SER 56 H SER 56 4.322 1.841 -6.887 444 HA SER 56 HA SER 56 2.979 -0.163 -8.438 445 1HB SER 56 HB2 SER 56 4.832 -0.043 -6.110 446 2HB SER 56 HB3 SER 56 3.854 -1.501 -6.213 447 HG SER 56 HG SER 56 5.590 -0.440 -8.209 448 H VAL 57 H VAL 57 2.482 1.047 -5.241 449 HA VAL 57 HA VAL 57 0.308 -0.731 -4.536 450 HB VAL 57 HB VAL 57 2.180 0.480 -3.045 451 1HG1 VAL 57 1HG1 VAL 57 1.253 2.078 -1.646 452 2HG1 VAL 57 2HG1 VAL 57 1.335 2.670 -3.302 453 3HG1 VAL 57 3HG1 VAL 57 -0.263 2.141 -2.606 454 1HG2 VAL 57 1HG2 VAL 57 0.901 -0.120 -1.125 455 2HG2 VAL 57 2HG2 VAL 57 -0.626 -0.095 -2.054 456 3HG2 VAL 57 3HG2 VAL 57 0.608 -1.339 -2.385 457 H ARG 58 H ARG 58 0.623 2.794 -5.315 458 HA ARG 58 HA ARG 58 -2.123 3.247 -5.022 459 1HB ARG 58 HB2 ARG 58 -0.485 5.016 -5.548 460 2HB ARG 58 HB3 ARG 58 -0.508 4.602 -7.229 461 1HG ARG 58 HG2 ARG 58 -1.959 6.486 -6.815 462 2HG ARG 58 HG3 ARG 58 -2.955 5.136 -7.321 463 1HD ARG 58 HD2 ARG 58 -3.665 4.741 -5.015 464 2HD ARG 58 HD3 ARG 58 -2.532 5.947 -4.406 465 HE ARG 58 HE ARG 58 -5.130 6.401 -5.649 466 1HH1 ARG 58 2HH1 ARG 58 -2.078 8.021 -4.892 467 2HH1 ARG 58 1HH1 ARG 58 -2.816 9.592 -4.967 468 1HH2 ARG 58 2HH2 ARG 58 -5.971 8.459 -5.747 469 2HH2 ARG 58 1HH2 ARG 58 -4.944 9.832 -5.442 470 H ASP 59 H ASP 59 -0.317 2.200 -7.899 471 HA ASP 59 HA ASP 59 -2.526 2.542 -9.620 472 1HB ASP 59 HB2 ASP 59 -0.213 2.243 -10.354 473 2HB ASP 59 HB3 ASP 59 -0.263 0.526 -9.895 474 H ALA 60 H ALA 60 -1.903 0.174 -7.379 475 HA ALA 60 HA ALA 60 -3.631 -2.033 -8.201 476 1HB ALA 60 HB1 ALA 60 -2.690 -3.082 -6.168 477 2HB ALA 60 HB2 ALA 60 -1.414 -2.554 -7.318 478 3HB ALA 60 HB3 ALA 60 -1.734 -1.611 -5.850 479 H LEU 61 H LEU 61 -3.253 0.338 -5.517 480 HA LEU 61 HA LEU 61 -5.545 -0.229 -4.099 481 1HB LEU 61 HB2 LEU 61 -3.399 1.031 -3.600 482 2HB LEU 61 HB3 LEU 61 -3.952 2.343 -4.569 483 HG LEU 61 HG LEU 61 -5.695 1.384 -2.452 484 1HD1 LEU 61 1HD1 LEU 61 -3.183 2.926 -1.821 485 2HD1 LEU 61 2HD1 LEU 61 -4.469 2.453 -0.646 486 3HD1 LEU 61 3HD1 LEU 61 -3.474 1.211 -1.451 487 1HD2 LEU 61 1HD2 LEU 61 -6.329 3.397 -3.781 488 2HD2 LEU 61 2HD2 LEU 61 -6.274 3.639 -2.046 489 3HD2 LEU 61 3HD2 LEU 61 -4.932 4.240 -3.062 490 H ALA 62 H ALA 62 -4.849 2.437 -6.390 491 HA ALA 62 HA ALA 62 -7.565 3.034 -6.921 492 1HB ALA 62 HB1 ALA 62 -6.737 4.312 -8.860 493 2HB ALA 62 HB2 ALA 62 -5.711 4.593 -7.445 494 3HB ALA 62 HB3 ALA 62 -5.163 3.503 -8.735 495 H GLY 63 H GLY 63 -5.587 0.516 -7.964 496 1HA GLY 63 HA2 GLY 63 -6.534 -0.478 -10.402 497 2HA GLY 63 HA3 GLY 63 -5.766 -1.349 -9.131 498 H LYS 64 H LYS 64 -7.109 -1.190 -6.985 499 HA LYS 64 HA LYS 64 -9.396 -2.925 -7.363 500 1HB LYS 64 HB2 LYS 64 -7.475 -3.222 -5.658 501 2HB LYS 64 HB3 LYS 64 -8.298 -1.954 -4.744 502 1HG LYS 64 HG2 LYS 64 -9.745 -3.546 -3.948 503 2HG LYS 64 HG3 LYS 64 -10.310 -3.789 -5.572 504 1HD LYS 64 HD2 LYS 64 -8.467 -5.451 -5.954 505 2HD LYS 64 HD3 LYS 64 -8.060 -5.305 -4.233 506 1HE LYS 64 HE2 LYS 64 -10.357 -6.034 -3.615 507 2HE LYS 64 HE3 LYS 64 -10.797 -6.107 -5.323 508 1HZ LYS 64 HZ1 LYS 64 -10.275 -8.286 -4.517 509 2HZ LYS 64 HZ2 LYS 64 -9.116 -7.860 -5.591 510 3HZ LYS 64 HZ3 LYS 64 -8.803 -7.831 -3.972 511 H ARG 65 H ARG 65 -8.919 0.426 -6.536 512 HA ARG 65 HA ARG 65 -11.294 0.924 -5.296 513 1HB ARG 65 HB2 ARG 65 -9.234 2.351 -5.815 514 2HB ARG 65 HB3 ARG 65 -10.119 2.929 -7.203 515 1HG ARG 65 HG2 ARG 65 -11.594 4.216 -5.816 516 2HG ARG 65 HG3 ARG 65 -11.488 3.046 -4.550 517 1HD ARG 65 HD2 ARG 65 -9.302 3.659 -3.899 518 2HD ARG 65 HD3 ARG 65 -8.994 4.496 -5.408 519 HE ARG 65 HE ARG 65 -10.329 5.586 -3.029 520 1HH1 ARG 65 1HH2 ARG 65 -9.960 6.188 -6.506 521 2HH1 ARG 65 2HH2 ARG 65 -10.390 7.863 -6.287 522 1HH2 ARG 65 1HH1 ARG 65 -10.910 7.562 -2.893 523 2HH2 ARG 65 2HH1 ARG 65 -10.932 8.655 -4.288 524 H ALA 66 H ALA 66 -10.642 0.899 -8.751 525 HA ALA 66 HA ALA 66 -13.290 1.722 -9.628 526 1HB ALA 66 HB1 ALA 66 -12.705 0.701 -11.753 527 2HB ALA 66 HB2 ALA 66 -11.375 1.741 -11.153 528 3HB ALA 66 HB3 ALA 66 -11.269 -0.042 -11.026 529 H GLU 67 H GLU 67 -11.949 -1.373 -8.544 530 HA GLU 67 HA GLU 67 -13.860 -3.168 -9.811 531 1HB GLU 67 HB2 GLU 67 -12.141 -3.548 -7.367 532 2HB GLU 67 HB3 GLU 67 -12.905 -4.801 -8.341 533 1HG GLU 67 HG2 GLU 67 -10.717 -2.870 -9.298 534 2HG GLU 67 HG3 GLU 67 -10.533 -4.434 -8.552 535 H LEU 68 H LEU 68 -13.257 -1.484 -6.862 536 HA LEU 68 HA LEU 68 -15.152 -2.902 -5.193 537 1HB LEU 68 HB2 LEU 68 -12.883 -1.162 -4.871 538 2HB LEU 68 HB3 LEU 68 -14.139 -1.121 -3.606 539 HG LEU 68 HG LEU 68 -12.720 -3.620 -4.667 540 1HD1 LEU 68 1HD1 LEU 68 -11.420 -2.164 -3.597 541 2HD1 LEU 68 2HD1 LEU 68 -12.555 -1.998 -2.208 542 3HD1 LEU 68 3HD1 LEU 68 -11.788 -3.600 -2.587 543 1HD2 LEU 68 1HD2 LEU 68 -14.630 -2.950 -2.331 544 2HD2 LEU 68 2HD2 LEU 68 -15.020 -4.190 -3.556 545 3HD2 LEU 68 3HD2 LEU 68 -13.740 -4.467 -2.345 546 H GLU 69 H GLU 69 -14.871 0.095 -6.845 547 HA GLU 69 HA GLU 69 -17.160 1.470 -5.908 548 1HB GLU 69 HB2 GLU 69 -14.955 1.599 -7.958 549 2HB GLU 69 HB3 GLU 69 -16.317 2.254 -8.400 550 1HG GLU 69 HG2 GLU 69 -16.227 3.650 -6.086 551 2HG GLU 69 HG3 GLU 69 -14.611 3.040 -6.046 552 H ASP 70 H ASP 70 -16.429 -0.808 -8.426 553 HA ASP 70 HA ASP 70 -19.146 -0.897 -9.605 554 1HB ASP 70 HB2 ASP 70 -16.710 -2.085 -10.330 555 2HB ASP 70 HB3 ASP 70 -17.581 -3.419 -9.641 556 H SER 71 H SER 71 -17.327 -2.087 -6.883 557 HA SER 71 HA SER 71 -19.487 -3.952 -6.114 558 1HB SER 71 HB2 SER 71 -16.960 -4.454 -6.005 559 2HB SER 71 HB3 SER 71 -17.006 -3.576 -4.461 560 HG SER 71 HG SER 71 -17.358 -5.879 -4.277 561 H ASP 72 H ASP 72 -19.818 -0.981 -5.986 562 HA ASP 72 HA ASP 72 -19.623 0.267 -3.528 563 1HB ASP 72 HB2 ASP 72 -20.037 1.396 -5.584 564 2HB ASP 72 HB3 ASP 72 -21.633 0.648 -5.759 565 H ASP 73 H ASP 73 -21.784 -2.221 -4.234 566 HA ASP 73 HA ASP 73 -24.107 -1.961 -2.652 567 1HB ASP 73 HB2 ASP 73 -23.610 -3.472 -4.576 568 2HB ASP 73 HB3 ASP 73 -22.586 -4.383 -3.468 569 H GLU 74 H GLU 74 -22.396 -0.998 -0.968 570 HA GLU 74 HA GLU 74 -21.486 -2.923 1.090 571 1HB GLU 74 HB2 GLU 74 -20.883 0.021 0.724 572 2HB GLU 74 HB3 GLU 74 -20.158 -1.040 1.942 573 1HG GLU 74 HG2 GLU 74 -19.260 -2.497 0.158 574 2HG GLU 74 HG3 GLU 74 -19.932 -1.428 -1.067 575 H VAL 75 H VAL 75 -21.466 -2.019 3.379 576 HA VAL 75 HA VAL 75 -23.949 -2.368 4.482 577 HB VAL 75 HB VAL 75 -21.669 -0.801 5.772 578 1HG1 VAL 75 1HG1 VAL 75 -23.698 -0.540 7.140 579 2HG1 VAL 75 2HG1 VAL 75 -24.043 -2.279 7.016 580 3HG1 VAL 75 3HG1 VAL 75 -22.625 -1.695 7.918 581 1HG2 VAL 75 1HG2 VAL 75 -21.096 -3.004 6.785 582 2HG2 VAL 75 2HG2 VAL 75 -22.354 -3.788 5.793 583 3HG2 VAL 75 3HG2 VAL 75 -20.927 -3.050 5.033 584 H GLU 76 H GLU 76 -25.536 -1.312 5.279 585 HA GLU 76 HA GLU 76 -27.229 0.065 5.571 586 1HB GLU 76 HB2 GLU 76 -26.934 1.664 7.037 587 2HB GLU 76 HB3 GLU 76 -25.361 0.956 7.144 588 1HG GLU 76 HG2 GLU 76 -24.393 2.723 5.727 589 2HG GLU 76 HG3 GLU 76 -26.007 3.393 5.425 590 H GLU 77 H GLU 77 -24.990 1.613 3.340 591 HA GLU 77 HA GLU 77 -26.987 3.163 1.881 592 1HB GLU 77 HB2 GLU 77 -24.380 1.933 0.891 593 2HB GLU 77 HB3 GLU 77 -25.384 3.100 0.011 594 1HG GLU 77 HG2 GLU 77 -25.117 4.683 1.995 595 2HG GLU 77 HG3 GLU 77 -23.894 3.573 2.631 596 H SER 78 H SER 78 -26.012 -0.199 1.896 597 HA SER 78 HA SER 78 -28.580 -0.803 0.628 598 1HB SER 78 HB2 SER 78 -27.584 -2.384 -1.005 599 2HB SER 78 HB3 SER 78 -26.925 -0.751 -1.218 600 HG SER 78 HG SER 78 -25.156 -1.523 0.231 601 H PHE 79 H PHE 79 -27.035 -1.296 3.297 602 HA PHE 79 HA PHE 79 -26.686 -2.848 4.902 603 1HB PHE 79 HB2 PHE 79 -29.328 -3.964 3.945 604 2HB PHE 79 HB3 PHE 79 -28.596 -4.141 5.532 605 HD1 PHE 79 HD2 PHE 79 -28.417 -2.198 7.090 606 HD2 PHE 79 HD1 PHE 79 -30.536 -1.929 3.336 607 HE1 PHE 79 HE2 PHE 79 -29.577 -0.145 7.885 608 HE2 PHE 79 HE1 PHE 79 -31.674 0.128 4.135 609 HZ PHE 79 HZ PHE 79 -31.193 1.025 6.404 Start of MODEL 2 1 1H GLY 1 H1 GLY 1 24.779 -17.602 -3.824 2 2H GLY 1 H2 GLY 1 23.598 -17.333 -2.724 3 3H GLY 1 H3 GLY 1 24.871 -18.292 -2.344 4 1HA GLY 1 HA2 GLY 1 26.404 -16.440 -2.461 5 2HA GLY 1 HA3 GLY 1 25.046 -15.398 -2.921 6 H SER 2 H SER 2 26.895 -15.253 -0.643 7 HA SER 2 HA SER 2 24.979 -15.395 1.661 8 1HB SER 2 HB2 SER 2 27.928 -16.114 1.666 9 2HB SER 2 HB3 SER 2 26.823 -16.195 3.047 10 HG SER 2 HG SER 2 27.100 -18.229 2.046 11 H HIS 3 H HIS 3 26.580 -13.116 -0.100 12 HA HIS 3 HA HIS 3 27.735 -11.443 1.964 13 1HB HIS 3 HB2 HIS 3 28.269 -11.334 -0.469 14 2HB HIS 3 HB3 HIS 3 26.665 -10.670 -0.781 15 HD2 HIS 3 HD2 HIS 3 26.271 -8.092 -0.186 16 HE1 HIS 3 HE1 HIS 3 30.241 -7.152 1.021 17 HE2 HIS 3 HE2 HIS 3 27.972 -6.178 0.415 18 H MET 4 H MET 4 24.465 -11.980 0.886 19 HA MET 4 HA MET 4 22.435 -11.159 1.348 20 1HB MET 4 HB2 MET 4 23.566 -10.079 3.945 21 2HB MET 4 HB3 MET 4 21.888 -10.478 3.591 22 1HG MET 4 HG2 MET 4 24.192 -12.432 3.807 23 2HG MET 4 HG3 MET 4 22.890 -12.198 4.959 24 1HE MET 4 HE1 MET 4 22.545 -14.831 5.024 25 2HE MET 4 HE2 MET 4 22.269 -15.828 3.580 26 3HE MET 4 HE3 MET 4 23.843 -15.035 3.825 27 H LEU 5 H LEU 5 21.368 -8.918 2.511 28 HA LEU 5 HA LEU 5 21.496 -7.036 0.395 29 1HB LEU 5 HB2 LEU 5 20.048 -7.233 2.976 30 2HB LEU 5 HB3 LEU 5 19.988 -5.717 2.077 31 HG LEU 5 HG LEU 5 19.470 -8.360 0.651 32 1HD1 LEU 5 1HD1 LEU 5 17.498 -6.556 2.063 33 2HD1 LEU 5 2HD1 LEU 5 17.103 -7.947 1.020 34 3HD1 LEU 5 3HD1 LEU 5 17.978 -8.205 2.541 35 1HD2 LEU 5 1HD2 LEU 5 19.845 -6.387 -0.819 36 2HD2 LEU 5 2HD2 LEU 5 18.158 -6.900 -0.874 37 3HD2 LEU 5 3HD2 LEU 5 18.610 -5.485 0.084 38 H LEU 6 H LEU 6 23.704 -7.251 2.914 39 HA LEU 6 HA LEU 6 24.217 -4.996 4.171 40 1HB LEU 6 HB2 LEU 6 25.560 -7.007 4.294 41 2HB LEU 6 HB3 LEU 6 26.237 -6.697 2.698 42 HG LEU 6 HG LEU 6 27.384 -4.670 3.561 43 1HD1 LEU 6 1HD1 LEU 6 25.869 -4.040 5.419 44 2HD1 LEU 6 2HD1 LEU 6 26.282 -5.539 6.272 45 3HD1 LEU 6 3HD1 LEU 6 27.518 -4.285 6.000 46 1HD2 LEU 6 1HD2 LEU 6 27.887 -7.157 5.238 47 2HD2 LEU 6 2HD2 LEU 6 28.504 -6.877 3.595 48 3HD2 LEU 6 3HD2 LEU 6 29.043 -5.841 4.923 49 H GLU 7 H GLU 7 24.060 -2.978 3.687 50 HA GLU 7 HA GLU 7 24.329 -0.898 2.880 51 1HB GLU 7 HB2 GLU 7 26.845 -1.922 1.533 52 2HB GLU 7 HB3 GLU 7 26.422 -0.228 1.813 53 1HG GLU 7 HG2 GLU 7 26.392 -0.632 4.263 54 2HG GLU 7 HG3 GLU 7 26.910 -2.304 3.978 55 H PHE 8 H PHE 8 23.215 -3.141 0.837 56 HA PHE 8 HA PHE 8 23.241 -1.496 -1.625 57 1HB PHE 8 HB2 PHE 8 21.760 -4.077 -1.023 58 2HB PHE 8 HB3 PHE 8 21.949 -3.317 -2.595 59 HD1 PHE 8 HD2 PHE 8 24.942 -2.618 -2.486 60 HD2 PHE 8 HD1 PHE 8 22.741 -6.192 -1.454 61 HE1 PHE 8 HE2 PHE 8 26.946 -3.984 -2.932 62 HE2 PHE 8 HE1 PHE 8 24.745 -7.552 -1.944 63 HZ PHE 8 HZ PHE 8 26.861 -6.458 -2.676 64 H LYS 9 H LYS 9 21.473 -0.579 -2.584 65 HA LYS 9 HA LYS 9 19.560 0.754 -1.016 66 1HB LYS 9 HB2 LYS 9 18.762 1.671 -3.107 67 2HB LYS 9 HB3 LYS 9 20.514 1.601 -3.098 68 1HG LYS 9 HG2 LYS 9 20.382 -0.529 -4.493 69 2HG LYS 9 HG3 LYS 9 18.629 -0.279 -4.597 70 1HD LYS 9 HD2 LYS 9 19.024 1.956 -5.649 71 2HD LYS 9 HD3 LYS 9 20.780 1.674 -5.542 72 1HE LYS 9 HE2 LYS 9 20.534 -0.352 -6.971 73 2HE LYS 9 HE3 LYS 9 18.789 -0.053 -7.082 74 1HZ LYS 9 HZ1 LYS 9 19.975 0.785 -8.994 75 2HZ LYS 9 HZ2 LYS 9 19.265 2.019 -8.205 76 3HZ LYS 9 HZ3 LYS 9 20.883 1.786 -8.072 77 H GLN 10 H GLN 10 19.200 -2.370 -2.441 78 HA GLN 10 HA GLN 10 16.520 -2.150 -3.372 79 1HB GLN 10 HB2 GLN 10 17.841 -4.804 -2.814 80 2HB GLN 10 HB3 GLN 10 16.632 -4.413 -4.052 81 1HG GLN 10 HG2 GLN 10 18.352 -2.948 -5.158 82 2HG GLN 10 HG3 GLN 10 19.496 -3.529 -3.914 83 1HE2 GLN 10 2HE2 GLN 10 19.654 -3.818 -6.862 84 2HE2 GLN 10 1HE2 GLN 10 19.745 -5.563 -7.126 85 H PHE 11 H PHE 11 17.785 -3.040 -0.289 86 HA PHE 11 HA PHE 11 15.731 -4.646 0.652 87 1HB PHE 11 HB2 PHE 11 16.401 -4.142 2.873 88 2HB PHE 11 HB3 PHE 11 17.869 -4.131 1.896 89 HD1 PHE 11 HD2 PHE 11 18.119 -1.476 0.794 90 HD2 PHE 11 HD1 PHE 11 16.742 -2.681 4.687 91 HE1 PHE 11 HE2 PHE 11 18.814 0.681 1.657 92 HE2 PHE 11 HE1 PHE 11 17.497 -0.505 5.605 93 HZ PHE 11 HZ PHE 11 18.539 1.196 4.105 94 H LEU 12 H LEU 12 15.784 -1.195 0.137 95 HA LEU 12 HA LEU 12 13.381 -0.654 1.604 96 1HB LEU 12 HB2 LEU 12 15.480 0.881 0.328 97 2HB LEU 12 HB3 LEU 12 13.944 1.408 -0.317 98 HG LEU 12 HG LEU 12 13.205 1.227 2.308 99 1HD1 LEU 12 1HD1 LEU 12 16.159 1.879 2.418 100 2HD1 LEU 12 2HD1 LEU 12 15.024 1.794 3.783 101 3HD1 LEU 12 3HD1 LEU 12 15.465 0.311 2.872 102 1HD2 LEU 12 1HD2 LEU 12 13.593 3.628 2.378 103 2HD2 LEU 12 2HD2 LEU 12 14.615 3.457 0.902 104 3HD2 LEU 12 3HD2 LEU 12 12.897 3.004 0.856 105 H TYR 13 H TYR 13 14.104 -1.623 -1.497 106 HA TYR 13 HA TYR 13 11.588 -0.762 -2.764 107 1HB TYR 13 HB2 TYR 13 14.173 -1.979 -3.802 108 2HB TYR 13 HB3 TYR 13 12.919 -1.366 -4.822 109 HD1 TYR 13 HD2 TYR 13 12.366 1.112 -2.816 110 HD2 TYR 13 HD1 TYR 13 15.833 -0.448 -4.843 111 HE1 TYR 13 HE2 TYR 13 13.466 3.284 -2.538 112 HE2 TYR 13 HE1 TYR 13 16.903 1.771 -4.666 113 HH TYR 13 HH TYR 13 16.754 3.919 -3.869 114 H GLU 14 H GLU 14 13.122 -3.767 -1.749 115 HA GLU 14 HA GLU 14 10.873 -5.473 -2.611 116 1HB GLU 14 HB2 GLU 14 11.846 -7.185 -1.221 117 2HB GLU 14 HB3 GLU 14 13.037 -6.466 -2.287 118 1HG GLU 14 HG2 GLU 14 13.950 -5.228 -0.368 119 2HG GLU 14 HG3 GLU 14 12.696 -5.884 0.693 120 H ALA 15 H ALA 15 11.517 -3.410 0.072 121 HA ALA 15 HA ALA 15 9.747 -4.383 2.101 122 1HB ALA 15 HB1 ALA 15 11.556 -2.619 2.382 123 2HB ALA 15 HB2 ALA 15 10.549 -1.536 1.361 124 3HB ALA 15 HB3 ALA 15 9.969 -2.061 2.957 125 H SER 16 H SER 16 9.384 -2.261 -0.590 126 HA SER 16 HA SER 16 7.472 -0.503 0.090 127 1HB SER 16 HB2 SER 16 8.601 -1.755 -2.374 128 2HB SER 16 HB3 SER 16 7.203 -0.678 -2.634 129 HG SER 16 HG SER 16 8.619 0.871 -2.508 130 H ILE 17 H ILE 17 6.935 -3.683 -1.086 131 HA ILE 17 HA ILE 17 3.985 -3.412 -1.566 132 HB ILE 17 HB ILE 17 6.392 -3.769 -3.258 133 1HG1 ILE 17 2HG1 ILE 17 5.196 -2.793 -4.957 134 2HG1 ILE 17 3HG1 ILE 17 3.648 -3.362 -4.443 135 1HG2 ILE 17 1HG2 ILE 17 5.791 -6.118 -3.400 136 2HG2 ILE 17 2HG2 ILE 17 4.157 -5.682 -3.967 137 3HG2 ILE 17 3HG2 ILE 17 5.586 -5.277 -4.935 138 1HD1 ILE 17 1HD1 ILE 17 3.851 -0.912 -4.208 139 2HD1 ILE 17 2HD1 ILE 17 3.542 -1.645 -2.662 140 3HD1 ILE 17 3HD1 ILE 17 5.189 -1.119 -3.114 141 H ASP 18 H ASP 18 5.745 -4.671 0.592 142 HA ASP 18 HA ASP 18 5.204 -7.564 0.368 143 1HB ASP 18 HB2 ASP 18 7.399 -6.618 1.095 144 2HB ASP 18 HB3 ASP 18 6.618 -5.970 2.529 145 H GLU 19 H GLU 19 3.737 -4.865 1.917 146 HA GLU 19 HA GLU 19 1.976 -6.654 3.594 147 1HB GLU 19 HB2 GLU 19 3.099 -3.961 4.399 148 2HB GLU 19 HB3 GLU 19 1.892 -4.881 5.292 149 1HG GLU 19 HG2 GLU 19 3.528 -6.757 5.533 150 2HG GLU 19 HG3 GLU 19 4.755 -5.762 4.736 151 H PHE 20 H PHE 20 2.035 -3.230 2.473 152 HA PHE 20 HA PHE 20 -0.738 -2.728 2.669 153 1HB PHE 20 HB2 PHE 20 1.325 -1.700 0.656 154 2HB PHE 20 HB3 PHE 20 -0.304 -1.035 0.818 155 HD1 PHE 20 HD2 PHE 20 2.955 -1.465 2.633 156 HD2 PHE 20 HD1 PHE 20 -0.728 0.738 2.235 157 HE1 PHE 20 HE2 PHE 20 3.822 0.224 4.158 158 HE2 PHE 20 HE1 PHE 20 0.133 2.473 3.773 159 HZ PHE 20 HZ PHE 20 2.425 2.232 4.766 160 H MET 21 H MET 21 1.048 -3.840 -0.177 161 HA MET 21 HA MET 21 -0.997 -3.753 -2.115 162 1HB MET 21 HB2 MET 21 1.495 -5.413 -1.750 163 2HB MET 21 HB3 MET 21 0.370 -5.957 -2.995 164 1HG MET 21 HG2 MET 21 1.607 -3.207 -2.823 165 2HG MET 21 HG3 MET 21 2.111 -4.560 -3.866 166 1HE MET 21 HE1 MET 21 -0.058 -5.789 -5.436 167 2HE MET 21 HE2 MET 21 -1.470 -5.241 -4.467 168 3HE MET 21 HE3 MET 21 -1.304 -4.746 -6.147 169 H GLY 22 H GLY 22 -0.320 -6.339 0.218 170 1HA GLY 22 HA2 GLY 22 -2.460 -8.065 -0.750 171 2HA GLY 22 HA3 GLY 22 -1.509 -8.286 0.764 172 H LYS 23 H LYS 23 -2.209 -5.298 1.483 173 HA LYS 23 HA LYS 23 -4.406 -6.053 3.089 174 1HB LYS 23 HB2 LYS 23 -3.538 -4.697 4.512 175 2HB LYS 23 HB3 LYS 23 -2.150 -4.600 3.480 176 1HG LYS 23 HG2 LYS 23 -3.056 -2.625 2.424 177 2HG LYS 23 HG3 LYS 23 -4.466 -2.789 3.385 178 1HD LYS 23 HD2 LYS 23 -1.719 -2.580 4.620 179 2HD LYS 23 HD3 LYS 23 -2.727 -1.129 4.307 180 1HE LYS 23 HE2 LYS 23 -4.451 -2.026 5.833 181 2HE LYS 23 HE3 LYS 23 -3.533 -3.526 5.949 182 1HZ LYS 23 HZ1 LYS 23 -3.206 -2.154 7.883 183 2HZ LYS 23 HZ2 LYS 23 -1.783 -2.279 7.092 184 3HZ LYS 23 HZ3 LYS 23 -2.672 -0.886 6.993 185 H ILE 24 H ILE 24 -3.630 -3.922 0.376 186 HA ILE 24 HA ILE 24 -6.379 -3.154 -0.174 187 HB ILE 24 HB ILE 24 -5.320 -2.560 -2.460 188 1HG1 ILE 24 2HG1 ILE 24 -2.788 -3.224 -1.302 189 2HG1 ILE 24 3HG1 ILE 24 -3.575 -3.612 -2.853 190 1HG2 ILE 24 1HG2 ILE 24 -4.115 -1.093 -0.081 191 2HG2 ILE 24 2HG2 ILE 24 -4.910 -0.487 -1.560 192 3HG2 ILE 24 3HG2 ILE 24 -5.883 -1.120 -0.287 193 1HD1 ILE 24 1HD1 ILE 24 -2.652 -0.992 -2.054 194 2HD1 ILE 24 2HD1 ILE 24 -1.988 -2.080 -3.303 195 3HD1 ILE 24 3HD1 ILE 24 -3.656 -1.439 -3.500 196 H ALA 25 H ALA 25 -4.299 -5.731 -1.547 197 HA ALA 25 HA ALA 25 -6.194 -6.395 -3.573 198 1HB ALA 25 HB1 ALA 25 -4.997 -8.529 -3.781 199 2HB ALA 25 HB2 ALA 25 -3.874 -7.165 -3.731 200 3HB ALA 25 HB3 ALA 25 -4.100 -8.187 -2.286 201 H SER 26 H SER 26 -6.007 -6.995 -0.169 202 HA SER 26 HA SER 26 -8.296 -8.799 -0.215 203 1HB SER 26 HB2 SER 26 -7.477 -9.953 1.515 204 2HB SER 26 HB3 SER 26 -5.953 -9.400 0.862 205 HG SER 26 HG SER 26 -7.450 -8.030 2.845 206 H CYS 27 H CYS 27 -8.266 -5.600 -0.162 207 HA CYS 27 HA CYS 27 -8.953 -4.897 2.399 208 1HB CYS 27 HB2 CYS 27 -9.602 -2.768 1.370 209 2HB CYS 27 HB3 CYS 27 -8.200 -3.446 0.512 210 HG CYS 27 HG CYS 27 -9.595 -2.385 -1.243 211 H GLN 28 H GLN 28 -10.823 -6.408 0.067 212 HA GLN 28 HA GLN 28 -12.852 -7.242 -0.307 213 1HB GLN 28 HB2 GLN 28 -13.088 -6.935 2.707 214 2HB GLN 28 HB3 GLN 28 -14.220 -7.896 1.747 215 1HG GLN 28 HG2 GLN 28 -12.705 -9.596 1.377 216 2HG GLN 28 HG3 GLN 28 -11.296 -8.542 1.543 217 1HE2 GLN 28 1HE2 GLN 28 -10.453 -8.045 3.559 218 2HE2 GLN 28 2HE2 GLN 28 -11.095 -8.717 5.064 219 H THR 29 H THR 29 -12.759 -4.076 0.595 220 HA THR 29 HA THR 29 -15.594 -3.439 -0.003 221 HB THR 29 HB THR 29 -15.563 -1.970 2.059 222 HG1 THR 29 HG1 THR 29 -13.340 -3.599 2.688 223 1HG2 THR 29 1HG2 THR 29 -15.574 -4.933 2.770 224 2HG2 THR 29 2HG2 THR 29 -16.385 -3.621 3.646 225 3HG2 THR 29 3HG2 THR 29 -16.922 -4.062 2.012 226 H LEU 30 H LEU 30 -15.774 -1.288 -0.756 227 HA LEU 30 HA LEU 30 -13.169 -0.186 -1.608 228 1HB LEU 30 HB2 LEU 30 -15.462 0.120 -2.893 229 2HB LEU 30 HB3 LEU 30 -15.777 1.275 -1.634 230 HG LEU 30 HG LEU 30 -13.043 1.778 -2.287 231 1HD1 LEU 30 1HD1 LEU 30 -12.757 0.675 -4.046 232 2HD1 LEU 30 2HD1 LEU 30 -14.393 0.974 -4.680 233 3HD1 LEU 30 3HD1 LEU 30 -13.198 2.235 -4.702 234 1HD2 LEU 30 1HD2 LEU 30 -13.734 3.757 -3.225 235 2HD2 LEU 30 2HD2 LEU 30 -15.425 3.084 -3.370 236 3HD2 LEU 30 3HD2 LEU 30 -14.684 3.294 -1.708 237 H GLU 31 H GLU 31 -15.684 0.339 0.697 238 HA GLU 31 HA GLU 31 -14.967 2.766 1.731 239 1HB GLU 31 HB2 GLU 31 -17.042 1.117 1.831 240 2HB GLU 31 HB3 GLU 31 -16.205 0.334 3.167 241 1HG GLU 31 HG2 GLU 31 -16.079 2.370 4.281 242 2HG GLU 31 HG3 GLU 31 -17.023 3.261 3.068 243 H GLY 32 H GLY 32 -13.871 -0.445 2.466 244 1HA GLY 32 HA2 GLY 32 -11.978 0.473 4.474 245 2HA GLY 32 HA3 GLY 32 -12.058 -1.184 3.800 246 H LEU 33 H LEU 33 -11.692 -0.369 1.035 247 HA LEU 33 HA LEU 33 -8.892 -0.018 0.838 248 1HB LEU 33 HB2 LEU 33 -10.573 -0.880 -0.834 249 2HB LEU 33 HB3 LEU 33 -11.269 0.621 -1.038 250 HG LEU 33 HG LEU 33 -9.435 1.616 -2.217 251 1HD1 LEU 33 1HD1 LEU 33 -7.484 0.935 -1.089 252 2HD1 LEU 33 2HD1 LEU 33 -7.817 -0.805 -1.419 253 3HD1 LEU 33 3HD1 LEU 33 -7.408 0.306 -2.750 254 1HD2 LEU 33 1HD2 LEU 33 -10.853 -0.074 -3.363 255 2HD2 LEU 33 2HD2 LEU 33 -9.245 0.148 -4.060 256 3HD2 LEU 33 3HD2 LEU 33 -9.554 -1.274 -3.056 257 H GLU 34 H GLU 34 -11.393 2.281 0.549 258 HA GLU 34 HA GLU 34 -10.059 4.723 0.234 259 1HB GLU 34 HB2 GLU 34 -12.612 3.731 1.336 260 2HB GLU 34 HB3 GLU 34 -12.261 5.480 1.521 261 1HG GLU 34 HG2 GLU 34 -12.248 3.982 -1.187 262 2HG GLU 34 HG3 GLU 34 -13.603 4.819 -0.436 263 H GLU 35 H GLU 35 -10.695 2.826 3.115 264 HA GLU 35 HA GLU 35 -9.696 4.822 5.095 265 1HB GLU 35 HB2 GLU 35 -10.277 1.862 5.487 266 2HB GLU 35 HB3 GLU 35 -9.681 2.932 6.721 267 1HG GLU 35 HG2 GLU 35 -12.153 3.798 5.277 268 2HG GLU 35 HG3 GLU 35 -12.296 2.378 6.335 269 H LEU 36 H LEU 36 -8.569 1.825 3.579 270 HA LEU 36 HA LEU 36 -5.909 1.879 4.415 271 1HB LEU 36 HB2 LEU 36 -6.671 0.917 1.662 272 2HB LEU 36 HB3 LEU 36 -5.243 0.548 2.568 273 HG LEU 36 HG LEU 36 -7.976 -0.294 3.512 274 1HD1 LEU 36 1HD1 LEU 36 -7.462 -1.423 1.373 275 2HD1 LEU 36 2HD1 LEU 36 -5.843 -1.804 1.965 276 3HD1 LEU 36 3HD1 LEU 36 -7.285 -2.541 2.730 277 1HD2 LEU 36 1HD2 LEU 36 -6.502 -0.123 5.252 278 2HD2 LEU 36 2HD2 LEU 36 -6.529 -1.848 4.803 279 3HD2 LEU 36 3HD2 LEU 36 -5.178 -0.800 4.271 280 H GLU 37 H GLU 37 -7.479 3.548 1.626 281 HA GLU 37 HA GLU 37 -5.298 4.620 0.583 282 1HB GLU 37 HB2 GLU 37 -7.615 4.608 -0.245 283 2HB GLU 37 HB3 GLU 37 -7.993 6.068 0.594 284 1HG GLU 37 HG2 GLU 37 -5.665 5.723 -1.283 285 2HG GLU 37 HG3 GLU 37 -7.272 6.077 -1.967 286 H ALA 38 H ALA 38 -7.528 6.015 2.936 287 HA ALA 38 HA ALA 38 -6.103 8.346 3.400 288 1HB ALA 38 HB1 ALA 38 -7.892 6.765 5.329 289 2HB ALA 38 HB2 ALA 38 -7.360 8.438 5.589 290 3HB ALA 38 HB3 ALA 38 -8.419 8.057 4.217 291 H TYR 39 H TYR 39 -5.932 5.150 5.112 292 HA TYR 39 HA TYR 39 -4.013 5.874 6.988 293 1HB TYR 39 HB2 TYR 39 -4.845 3.889 7.631 294 2HB TYR 39 HB3 TYR 39 -5.160 3.383 5.979 295 HD1 TYR 39 HD1 TYR 39 -3.656 2.201 4.627 296 HD2 TYR 39 HD2 TYR 39 -2.616 3.225 8.672 297 HE1 TYR 39 HE1 TYR 39 -1.710 0.818 4.414 298 HE2 TYR 39 HE2 TYR 39 -0.647 1.688 8.523 299 HH TYR 39 HH TYR 39 0.311 0.118 5.494 300 H TYR 40 H TYR 40 -3.501 4.725 3.641 301 HA TYR 40 HA TYR 40 -0.667 4.598 3.508 302 1HB TYR 40 HB2 TYR 40 -2.114 3.812 1.734 303 2HB TYR 40 HB3 TYR 40 -2.818 5.416 1.534 304 HD1 TYR 40 HD1 TYR 40 0.481 3.607 1.231 305 HD2 TYR 40 HD2 TYR 40 -1.977 6.935 0.020 306 HE1 TYR 40 HE1 TYR 40 2.194 4.296 -0.392 307 HE2 TYR 40 HE2 TYR 40 -0.237 7.664 -1.559 308 HH TYR 40 HH TYR 40 2.787 5.838 -1.991 309 H LYS 41 H LYS 41 -2.886 7.388 2.666 310 HA LYS 41 HA LYS 41 -0.884 9.309 2.356 311 1HB LYS 41 HB2 LYS 41 -3.681 9.691 3.353 312 2HB LYS 41 HB3 LYS 41 -2.623 10.987 2.771 313 1HG LYS 41 HG2 LYS 41 -2.770 8.665 0.899 314 2HG LYS 41 HG3 LYS 41 -4.330 9.340 1.274 315 1HD LYS 41 HD2 LYS 41 -3.466 10.396 -0.699 316 2HD LYS 41 HD3 LYS 41 -3.401 11.626 0.589 317 1HE LYS 41 HE2 LYS 41 -1.017 10.349 0.881 318 2HE LYS 41 HE3 LYS 41 -1.227 10.067 -0.836 319 1HZ LYS 41 HZ1 LYS 41 -1.458 12.461 -1.170 320 2HZ LYS 41 HZ2 LYS 41 -1.206 12.747 0.428 321 3HZ LYS 41 HZ3 LYS 41 -0.018 12.107 -0.499 322 H LYS 42 H LYS 42 -2.454 8.265 5.414 323 HA LYS 42 HA LYS 42 -1.708 10.314 7.177 324 1HB LYS 42 HB2 LYS 42 -2.688 7.456 7.205 325 2HB LYS 42 HB3 LYS 42 -2.440 8.245 8.688 326 1HG LYS 42 HG2 LYS 42 -4.208 9.433 6.557 327 2HG LYS 42 HG3 LYS 42 -4.802 8.250 7.757 328 1HD LYS 42 HD2 LYS 42 -4.345 9.850 9.560 329 2HD LYS 42 HD3 LYS 42 -3.574 10.959 8.388 330 1HE LYS 42 HE2 LYS 42 -5.777 10.766 7.043 331 2HE LYS 42 HE3 LYS 42 -6.489 10.046 8.492 332 1HZ LYS 42 HZ1 LYS 42 -6.899 12.404 8.450 333 2HZ LYS 42 HZ2 LYS 42 -5.917 12.070 9.709 334 3HZ LYS 42 HZ3 LYS 42 -5.299 12.751 8.352 335 H ARG 43 H ARG 43 -0.081 7.221 6.295 336 HA ARG 43 HA ARG 43 2.242 7.979 7.987 337 1HB ARG 43 HB2 ARG 43 1.490 5.519 7.352 338 2HB ARG 43 HB3 ARG 43 2.428 5.838 5.879 339 1HG ARG 43 HG2 ARG 43 4.342 6.592 7.418 340 2HG ARG 43 HG3 ARG 43 3.359 6.040 8.782 341 1HD ARG 43 HD2 ARG 43 3.306 3.738 7.816 342 2HD ARG 43 HD3 ARG 43 4.363 4.281 6.510 343 HE ARG 43 HE ARG 43 5.057 4.228 9.437 344 1HH1 ARG 43 1HH2 ARG 43 6.268 3.936 6.122 345 2HH1 ARG 43 2HH2 ARG 43 7.911 3.734 6.726 346 1HH2 ARG 43 1HH1 ARG 43 7.179 3.924 10.009 347 2HH2 ARG 43 2HH1 ARG 43 8.383 3.743 8.731 348 H VAL 44 H VAL 44 1.607 8.002 4.405 349 HA VAL 44 HA VAL 44 4.120 8.784 3.847 350 HB VAL 44 HB VAL 44 1.439 9.139 2.442 351 1HG1 VAL 44 1HG1 VAL 44 2.790 9.084 0.364 352 2HG1 VAL 44 2HG1 VAL 44 2.912 10.594 1.287 353 3HG1 VAL 44 3HG1 VAL 44 4.255 9.394 1.393 354 1HG2 VAL 44 1HG2 VAL 44 3.769 7.220 2.321 355 2HG2 VAL 44 2HG2 VAL 44 2.285 6.842 3.129 356 3HG2 VAL 44 3HG2 VAL 44 2.238 7.060 1.366 357 H LYS 45 H LYS 45 1.721 10.917 5.132 358 HA LYS 45 HA LYS 45 3.075 13.294 4.483 359 1HB LYS 45 HB2 LYS 45 1.826 14.195 6.516 360 2HB LYS 45 HB3 LYS 45 0.857 13.267 5.318 361 1HG LYS 45 HG2 LYS 45 0.859 11.338 6.744 362 2HG LYS 45 HG3 LYS 45 2.058 12.102 7.788 363 1HD LYS 45 HD2 LYS 45 0.071 13.973 8.024 364 2HD LYS 45 HD3 LYS 45 -0.896 12.504 7.734 365 1HE LYS 45 HE2 LYS 45 0.811 11.419 9.389 366 2HE LYS 45 HE3 LYS 45 1.187 13.076 9.881 367 1HZ LYS 45 HZ1 LYS 45 -1.489 11.832 10.070 368 2HZ LYS 45 HZ2 LYS 45 -0.495 12.169 11.322 369 3HZ LYS 45 HZ3 LYS 45 -1.143 13.392 10.455 370 H GLU 46 H GLU 46 3.694 10.930 6.836 371 HA GLU 46 HA GLU 46 5.881 12.132 8.460 372 1HB GLU 46 HB2 GLU 46 3.886 11.113 9.408 373 2HB GLU 46 HB3 GLU 46 4.417 9.584 8.715 374 1HG GLU 46 HG2 GLU 46 5.101 9.748 10.967 375 2HG GLU 46 HG3 GLU 46 6.436 9.589 9.861 376 H THR 47 H THR 47 5.202 10.012 5.960 377 HA THR 47 HA THR 47 6.404 8.845 4.475 378 HB THR 47 HB THR 47 6.553 10.957 3.613 379 HG1 THR 47 HG1 THR 47 8.150 9.651 2.743 380 1HG2 THR 47 1HG2 THR 47 6.921 12.245 5.615 381 2HG2 THR 47 2HG2 THR 47 8.581 11.656 5.730 382 3HG2 THR 47 3HG2 THR 47 8.114 12.733 4.393 383 H GLU 48 H GLU 48 7.303 6.971 4.743 384 HA GLU 48 HA GLU 48 10.065 7.449 4.095 385 1HB GLU 48 HB2 GLU 48 9.272 4.686 4.918 386 2HB GLU 48 HB3 GLU 48 10.900 5.346 4.722 387 1HG GLU 48 HG2 GLU 48 10.397 6.898 6.614 388 2HG GLU 48 HG3 GLU 48 8.859 6.097 6.828 389 H LEU 49 H LEU 49 7.430 7.295 2.814 390 HA LEU 49 HA LEU 49 7.494 5.364 0.681 391 1HB LEU 49 HB2 LEU 49 5.518 6.295 1.683 392 2HB LEU 49 HB3 LEU 49 5.880 7.923 1.180 393 HG LEU 49 HG LEU 49 4.053 6.968 -0.023 394 1HD1 LEU 49 1HD1 LEU 49 6.233 7.273 -2.054 395 2HD1 LEU 49 2HD1 LEU 49 4.506 7.660 -2.149 396 3HD1 LEU 49 3HD1 LEU 49 5.552 8.643 -1.142 397 1HD2 LEU 49 1HD2 LEU 49 4.296 5.122 -1.528 398 2HD2 LEU 49 2HD2 LEU 49 6.006 4.996 -1.129 399 3HD2 LEU 49 3HD2 LEU 49 4.756 4.674 0.118 400 H LYS 50 H LYS 50 9.591 5.534 0.092 401 HA LYS 50 HA LYS 50 10.632 7.349 -1.818 402 1HB LYS 50 HB2 LYS 50 11.953 5.558 -2.467 403 2HB LYS 50 HB3 LYS 50 11.589 5.100 -0.872 404 1HG LYS 50 HG2 LYS 50 9.587 3.901 -2.644 405 2HG LYS 50 HG3 LYS 50 11.232 3.637 -3.251 406 1HD LYS 50 HD2 LYS 50 10.615 1.840 -1.787 407 2HD LYS 50 HD3 LYS 50 11.861 2.832 -1.023 408 1HE LYS 50 HE2 LYS 50 10.198 4.016 0.278 409 2HE LYS 50 HE3 LYS 50 8.872 3.125 -0.508 410 1HZ LYS 50 HZ1 LYS 50 9.822 1.054 0.438 411 2HZ LYS 50 HZ2 LYS 50 10.889 1.943 1.301 412 3HZ LYS 50 HZ3 LYS 50 9.281 2.099 1.597 413 H ASP 51 H ASP 51 10.651 6.752 -4.230 414 HA ASP 51 HA ASP 51 7.991 7.273 -5.316 415 1HB ASP 51 HB2 ASP 51 10.509 6.337 -6.731 416 2HB ASP 51 HB3 ASP 51 9.063 6.992 -7.524 417 H THR 52 H THR 52 10.001 4.366 -5.118 418 HA THR 52 HA THR 52 8.756 2.654 -6.943 419 HB THR 52 HB THR 52 9.911 2.156 -4.206 420 HG1 THR 52 HG1 THR 52 11.913 1.901 -5.275 421 1HG2 THR 52 1HG2 THR 52 10.806 -0.045 -5.078 422 2HG2 THR 52 2HG2 THR 52 9.047 -0.008 -5.001 423 3HG2 THR 52 3HG2 THR 52 9.865 0.205 -6.571 424 H ASP 53 H ASP 53 7.986 3.007 -3.438 425 HA ASP 53 HA ASP 53 5.979 0.909 -3.419 426 1HB ASP 53 HB2 ASP 53 6.915 1.353 -1.367 427 2HB ASP 53 HB3 ASP 53 6.861 3.095 -1.508 428 H ASP 54 H ASP 54 5.990 4.403 -3.814 429 HA ASP 54 HA ASP 54 3.244 4.833 -3.449 430 1HB ASP 54 HB2 ASP 54 5.293 6.438 -3.818 431 2HB ASP 54 HB3 ASP 54 5.057 6.238 -5.484 432 H ILE 55 H ILE 55 5.004 4.045 -6.418 433 HA ILE 55 HA ILE 55 2.586 4.539 -8.087 434 HB ILE 55 HB ILE 55 4.783 2.892 -9.292 435 1HG1 ILE 55 2HG1 ILE 55 5.706 5.536 -9.747 436 2HG1 ILE 55 3HG1 ILE 55 5.441 5.427 -8.025 437 1HG2 ILE 55 1HG2 ILE 55 3.197 5.288 -10.274 438 2HG2 ILE 55 2HG2 ILE 55 4.250 4.253 -11.261 439 3HG2 ILE 55 3HG2 ILE 55 2.775 3.588 -10.556 440 1HD1 ILE 55 1HD1 ILE 55 7.715 4.589 -8.585 441 2HD1 ILE 55 2HD1 ILE 55 6.722 3.196 -8.056 442 3HD1 ILE 55 3HD1 ILE 55 7.046 3.475 -9.783 443 H SER 56 H SER 56 4.437 1.770 -6.895 444 HA SER 56 HA SER 56 2.992 -0.153 -8.457 445 1HB SER 56 HB2 SER 56 4.957 -0.053 -6.248 446 2HB SER 56 HB3 SER 56 3.960 -1.521 -6.292 447 HG SER 56 HG SER 56 4.639 -1.833 -8.462 448 H VAL 57 H VAL 57 2.618 0.986 -5.199 449 HA VAL 57 HA VAL 57 0.407 -0.764 -4.516 450 HB VAL 57 HB VAL 57 2.285 0.324 -2.983 451 1HG1 VAL 57 1HG1 VAL 57 -0.060 2.119 -2.507 452 2HG1 VAL 57 2HG1 VAL 57 1.442 1.958 -1.555 453 3HG1 VAL 57 3HG1 VAL 57 1.574 2.563 -3.213 454 1HG2 VAL 57 1HG2 VAL 57 -0.556 -0.092 -2.035 455 2HG2 VAL 57 2HG2 VAL 57 0.624 -1.398 -2.315 456 3HG2 VAL 57 3HG2 VAL 57 0.938 -0.177 -1.062 457 H ARG 58 H ARG 58 0.783 2.765 -5.178 458 HA ARG 58 HA ARG 58 -1.962 3.252 -4.754 459 1HB ARG 58 HB2 ARG 58 -0.042 4.948 -5.316 460 2HB ARG 58 HB3 ARG 58 -0.650 4.872 -6.929 461 1HG ARG 58 HG2 ARG 58 -1.906 6.605 -6.083 462 2HG ARG 58 HG3 ARG 58 -2.997 5.283 -5.714 463 1HD ARG 58 HD2 ARG 58 -2.177 5.187 -3.397 464 2HD ARG 58 HD3 ARG 58 -0.922 6.373 -3.740 465 HE ARG 58 HE ARG 58 -3.687 6.907 -3.100 466 1HH1 ARG 58 1HH2 ARG 58 -0.986 8.327 -4.879 467 2HH1 ARG 58 2HH2 ARG 58 -1.609 9.945 -4.647 468 1HH2 ARG 58 1HH1 ARG 58 -4.342 8.950 -2.803 469 2HH2 ARG 58 2HH1 ARG 58 -3.517 10.277 -3.621 470 H ASP 59 H ASP 59 -0.242 2.337 -7.697 471 HA ASP 59 HA ASP 59 -2.475 2.798 -9.379 472 1HB ASP 59 HB2 ASP 59 -0.144 2.516 -10.158 473 2HB ASP 59 HB3 ASP 59 -0.228 0.789 -9.799 474 H ALA 60 H ALA 60 -1.834 0.331 -7.253 475 HA ALA 60 HA ALA 60 -3.533 -1.860 -8.177 476 1HB ALA 60 HB1 ALA 60 -1.599 -1.548 -5.840 477 2HB ALA 60 HB2 ALA 60 -2.571 -2.990 -6.183 478 3HB ALA 60 HB3 ALA 60 -1.303 -2.459 -7.328 479 H LEU 61 H LEU 61 -3.159 0.461 -5.494 480 HA LEU 61 HA LEU 61 -5.459 -0.206 -4.055 481 1HB LEU 61 HB2 LEU 61 -3.295 0.963 -3.489 482 2HB LEU 61 HB3 LEU 61 -3.857 2.370 -4.388 483 HG LEU 61 HG LEU 61 -5.626 1.319 -2.360 484 1HD1 LEU 61 1HD1 LEU 61 -3.396 0.941 -1.350 485 2HD1 LEU 61 2HD1 LEU 61 -3.055 2.670 -1.509 486 3HD1 LEU 61 3HD1 LEU 61 -4.379 2.118 -0.434 487 1HD2 LEU 61 1HD2 LEU 61 -4.670 4.154 -2.771 488 2HD2 LEU 61 2HD2 LEU 61 -6.126 3.433 -3.509 489 3HD2 LEU 61 3HD2 LEU 61 -6.029 3.583 -1.759 490 H ALA 62 H ALA 62 -4.781 2.565 -6.240 491 HA ALA 62 HA ALA 62 -7.489 3.131 -6.756 492 1HB ALA 62 HB1 ALA 62 -5.640 4.713 -7.273 493 2HB ALA 62 HB2 ALA 62 -5.104 3.640 -8.582 494 3HB ALA 62 HB3 ALA 62 -6.676 4.434 -8.690 495 H GLY 63 H GLY 63 -5.504 0.634 -7.864 496 1HA GLY 63 HA2 GLY 63 -6.444 -0.261 -10.337 497 2HA GLY 63 HA3 GLY 63 -5.658 -1.180 -9.104 498 H LYS 64 H LYS 64 -7.012 -1.101 -6.951 499 HA LYS 64 HA LYS 64 -9.265 -2.864 -7.391 500 1HB LYS 64 HB2 LYS 64 -7.381 -3.212 -5.681 501 2HB LYS 64 HB3 LYS 64 -8.161 -1.935 -4.757 502 1HG LYS 64 HG2 LYS 64 -9.653 -3.522 -3.956 503 2HG LYS 64 HG3 LYS 64 -10.215 -3.734 -5.598 504 1HD LYS 64 HD2 LYS 64 -8.475 -5.441 -6.027 505 2HD LYS 64 HD3 LYS 64 -7.973 -5.290 -4.321 506 1HE LYS 64 HE2 LYS 64 -10.226 -5.976 -3.585 507 2HE LYS 64 HE3 LYS 64 -10.779 -6.012 -5.271 508 1HZ LYS 64 HZ1 LYS 64 -9.164 -7.798 -5.667 509 2HZ LYS 64 HZ2 LYS 64 -8.760 -7.809 -4.065 510 3HZ LYS 64 HZ3 LYS 64 -10.277 -8.214 -4.546 511 H ARG 65 H ARG 65 -8.811 0.451 -6.456 512 HA ARG 65 HA ARG 65 -11.203 0.923 -5.255 513 1HB ARG 65 HB2 ARG 65 -9.158 2.357 -5.678 514 2HB ARG 65 HB3 ARG 65 -9.977 2.956 -7.099 515 1HG ARG 65 HG2 ARG 65 -11.565 4.191 -5.773 516 2HG ARG 65 HG3 ARG 65 -11.414 3.058 -4.466 517 1HD ARG 65 HD2 ARG 65 -9.204 3.749 -3.876 518 2HD ARG 65 HD3 ARG 65 -8.983 4.581 -5.409 519 HE ARG 65 HE ARG 65 -10.339 5.622 -2.998 520 1HH1 ARG 65 1HH2 ARG 65 -9.934 6.256 -6.460 521 2HH1 ARG 65 2HH2 ARG 65 -10.427 7.909 -6.238 522 1HH2 ARG 65 1HH1 ARG 65 -10.955 7.583 -2.853 523 2HH2 ARG 65 2HH1 ARG 65 -11.009 8.679 -4.233 524 H ALA 66 H ALA 66 -10.512 1.021 -8.712 525 HA ALA 66 HA ALA 66 -13.153 1.832 -9.617 526 1HB ALA 66 HB1 ALA 66 -11.110 0.073 -11.025 527 2HB ALA 66 HB2 ALA 66 -12.529 0.857 -11.745 528 3HB ALA 66 HB3 ALA 66 -11.198 1.865 -11.121 529 H GLU 67 H GLU 67 -11.809 -1.298 -8.593 530 HA GLU 67 HA GLU 67 -13.712 -3.056 -9.883 531 1HB GLU 67 HB2 GLU 67 -12.003 -3.508 -7.443 532 2HB GLU 67 HB3 GLU 67 -12.750 -4.735 -8.470 533 1HG GLU 67 HG2 GLU 67 -10.582 -2.766 -9.376 534 2HG GLU 67 HG3 GLU 67 -10.386 -4.334 -8.641 535 H LEU 68 H LEU 68 -13.130 -1.435 -6.908 536 HA LEU 68 HA LEU 68 -15.084 -2.859 -5.297 537 1HB LEU 68 HB2 LEU 68 -12.796 -1.140 -4.889 538 2HB LEU 68 HB3 LEU 68 -14.086 -1.136 -3.658 539 HG LEU 68 HG LEU 68 -12.650 -3.598 -4.741 540 1HD1 LEU 68 1HD1 LEU 68 -11.781 -3.651 -2.638 541 2HD1 LEU 68 2HD1 LEU 68 -11.384 -2.181 -3.577 542 3HD1 LEU 68 3HD1 LEU 68 -12.571 -2.073 -2.217 543 1HD2 LEU 68 1HD2 LEU 68 -14.602 -2.979 -2.405 544 2HD2 LEU 68 2HD2 LEU 68 -14.997 -4.180 -3.679 545 3HD2 LEU 68 3HD2 LEU 68 -13.728 -4.525 -2.501 546 H GLU 69 H GLU 69 -14.733 0.162 -6.884 547 HA GLU 69 HA GLU 69 -17.000 1.565 -5.913 548 1HB GLU 69 HB2 GLU 69 -14.787 1.715 -7.934 549 2HB GLU 69 HB3 GLU 69 -16.118 2.357 -8.439 550 1HG GLU 69 HG2 GLU 69 -16.114 3.774 -6.115 551 2HG GLU 69 HG3 GLU 69 -14.496 3.134 -6.004 552 H ASP 70 H ASP 70 -16.329 -0.651 -8.463 553 HA ASP 70 HA ASP 70 -19.052 -0.627 -9.644 554 1HB ASP 70 HB2 ASP 70 -16.889 -1.553 -10.793 555 2HB ASP 70 HB3 ASP 70 -17.098 -2.952 -9.782 556 H SER 71 H SER 71 -17.184 -2.129 -7.039 557 HA SER 71 HA SER 71 -19.169 -4.187 -6.668 558 1HB SER 71 HB2 SER 71 -16.778 -4.551 -6.059 559 2HB SER 71 HB3 SER 71 -17.012 -3.501 -4.641 560 HG SER 71 HG SER 71 -17.274 -5.771 -4.227 561 H ASP 72 H ASP 72 -18.648 -1.275 -5.339 562 HA ASP 72 HA ASP 72 -19.348 0.132 -3.713 563 1HB ASP 72 HB2 ASP 72 -21.179 0.229 -5.423 564 2HB ASP 72 HB3 ASP 72 -22.105 -0.911 -4.424 565 H ASP 73 H ASP 73 -18.922 -2.815 -2.890 566 HA ASP 73 HA ASP 73 -20.606 -3.355 -0.669 567 1HB ASP 73 HB2 ASP 73 -19.226 -4.985 -1.989 568 2HB ASP 73 HB3 ASP 73 -17.849 -4.438 -1.020 569 H GLU 74 H GLU 74 -20.226 -3.350 1.565 570 HA GLU 74 HA GLU 74 -18.514 -1.161 2.613 571 1HB GLU 74 HB2 GLU 74 -21.474 -1.459 3.097 572 2HB GLU 74 HB3 GLU 74 -20.403 -0.232 3.790 573 1HG GLU 74 HG2 GLU 74 -19.785 0.353 1.348 574 2HG GLU 74 HG3 GLU 74 -21.131 -0.648 0.910 575 H VAL 75 H VAL 75 -18.495 -1.070 4.965 576 HA VAL 75 HA VAL 75 -17.610 -3.670 5.753 577 HB VAL 75 HB VAL 75 -16.605 -1.251 5.983 578 1HG1 VAL 75 1HG1 VAL 75 -18.374 -0.409 7.568 579 2HG1 VAL 75 2HG1 VAL 75 -17.740 -1.501 8.797 580 3HG1 VAL 75 3HG1 VAL 75 -16.704 -0.222 8.143 581 1HG2 VAL 75 1HG2 VAL 75 -16.093 -3.410 8.033 582 2HG2 VAL 75 2HG2 VAL 75 -15.464 -3.327 6.375 583 3HG2 VAL 75 3HG2 VAL 75 -14.992 -2.091 7.553 584 H GLU 76 H GLU 76 -20.691 -2.836 6.176 585 HA GLU 76 HA GLU 76 -20.972 -3.743 8.979 586 1HB GLU 76 HB2 GLU 76 -21.795 -1.724 9.767 587 2HB GLU 76 HB3 GLU 76 -20.340 -1.311 8.898 588 1HG GLU 76 HG2 GLU 76 -21.653 -0.495 6.982 589 2HG GLU 76 HG3 GLU 76 -23.153 -1.028 7.767 590 H GLU 77 H GLU 77 -22.607 -2.994 5.907 591 HA GLU 77 HA GLU 77 -25.301 -3.274 6.997 592 1HB GLU 77 HB2 GLU 77 -24.333 -3.441 4.122 593 2HB GLU 77 HB3 GLU 77 -26.021 -3.432 4.645 594 1HG GLU 77 HG2 GLU 77 -25.568 -1.202 5.771 595 2HG GLU 77 HG3 GLU 77 -24.006 -1.175 4.928 596 H SER 78 H SER 78 -22.973 -5.371 5.409 597 HA SER 78 HA SER 78 -24.510 -7.662 6.342 598 1HB SER 78 HB2 SER 78 -23.416 -7.556 3.488 599 2HB SER 78 HB3 SER 78 -24.490 -8.810 4.155 600 HG SER 78 HG SER 78 -25.133 -6.064 3.807 601 H PHE 79 H PHE 79 -21.675 -6.393 6.721 602 HA PHE 79 HA PHE 79 -19.749 -8.321 5.830 603 1HB PHE 79 HB2 PHE 79 -19.385 -5.896 6.326 604 2HB PHE 79 HB3 PHE 79 -19.498 -6.283 8.047 605 HD1 PHE 79 HD2 PHE 79 -17.554 -6.875 4.908 606 HD2 PHE 79 HD1 PHE 79 -17.555 -7.133 9.210 607 HE1 PHE 79 HE2 PHE 79 -15.103 -7.309 4.885 608 HE2 PHE 79 HE1 PHE 79 -15.112 -7.565 9.184 609 HZ PHE 79 HZ PHE 79 -13.881 -7.650 7.021 Start of MODEL 3 1 1H GLY 1 H1 GLY 1 27.942 -2.517 14.167 2 2H GLY 1 H2 GLY 1 26.753 -3.629 14.366 3 3H GLY 1 H3 GLY 1 26.443 -2.041 14.609 4 1HA GLY 1 HA2 GLY 1 25.506 -2.710 12.504 5 2HA GLY 1 HA3 GLY 1 26.816 -1.544 12.273 6 H SER 2 H SER 2 28.001 -2.081 10.584 7 HA SER 2 HA SER 2 29.318 -3.070 9.113 8 1HB SER 2 HB2 SER 2 29.817 -5.143 11.261 9 2HB SER 2 HB3 SER 2 30.861 -4.793 9.871 10 HG SER 2 HG SER 2 31.178 -2.701 10.698 11 H HIS 3 H HIS 3 26.826 -5.320 10.151 12 HA HIS 3 HA HIS 3 27.060 -6.790 7.545 13 1HB HIS 3 HB2 HIS 3 26.490 -7.932 10.309 14 2HB HIS 3 HB3 HIS 3 26.546 -8.845 8.807 15 HD2 HIS 3 HD2 HIS 3 29.033 -8.936 7.528 16 HE1 HIS 3 HE1 HIS 3 31.248 -8.297 11.111 17 HE2 HIS 3 HE2 HIS 3 31.396 -9.064 8.694 18 H MET 4 H MET 4 25.014 -4.705 8.981 19 HA MET 4 HA MET 4 22.480 -6.208 8.751 20 1HB MET 4 HB2 MET 4 23.074 -3.303 9.451 21 2HB MET 4 HB3 MET 4 21.470 -4.030 9.467 22 1HG MET 4 HG2 MET 4 23.826 -4.841 11.208 23 2HG MET 4 HG3 MET 4 22.414 -3.931 11.717 24 1HE MET 4 HE1 MET 4 19.554 -6.602 11.747 25 2HE MET 4 HE2 MET 4 20.004 -4.909 12.062 26 3HE MET 4 HE3 MET 4 19.936 -5.528 10.393 27 H LEU 5 H LEU 5 20.690 -5.514 7.468 28 HA LEU 5 HA LEU 5 21.207 -5.072 4.731 29 1HB LEU 5 HB2 LEU 5 18.827 -5.257 6.460 30 2HB LEU 5 HB3 LEU 5 18.586 -4.464 4.905 31 HG LEU 5 HG LEU 5 20.075 -7.116 5.089 32 1HD1 LEU 5 1HD1 LEU 5 17.125 -6.618 4.708 33 2HD1 LEU 5 2HD1 LEU 5 17.960 -8.191 4.525 34 3HD1 LEU 5 3HD1 LEU 5 17.917 -7.384 6.110 35 1HD2 LEU 5 1HD2 LEU 5 20.292 -5.847 2.929 36 2HD2 LEU 5 2HD2 LEU 5 19.360 -7.333 2.738 37 3HD2 LEU 5 3HD2 LEU 5 18.528 -5.773 2.818 38 H LEU 6 H LEU 6 20.712 -2.705 7.259 39 HA LEU 6 HA LEU 6 19.902 -0.437 5.754 40 1HB LEU 6 HB2 LEU 6 21.299 -0.845 8.414 41 2HB LEU 6 HB3 LEU 6 21.100 0.769 7.745 42 HG LEU 6 HG LEU 6 18.653 0.512 7.663 43 1HD1 LEU 6 1HD1 LEU 6 18.358 -1.916 7.503 44 2HD1 LEU 6 2HD1 LEU 6 19.130 -2.139 9.103 45 3HD1 LEU 6 3HD1 LEU 6 17.567 -1.306 8.956 46 1HD2 LEU 6 1HD2 LEU 6 19.776 1.518 9.612 47 2HD2 LEU 6 2HD2 LEU 6 18.299 0.655 10.092 48 3HD2 LEU 6 3HD2 LEU 6 19.890 -0.079 10.387 49 H GLU 7 H GLU 7 22.981 -1.984 5.691 50 HA GLU 7 HA GLU 7 24.677 0.198 4.840 51 1HB GLU 7 HB2 GLU 7 24.777 -2.779 4.261 52 2HB GLU 7 HB3 GLU 7 26.044 -1.655 3.794 53 1HG GLU 7 HG2 GLU 7 25.162 -2.146 6.671 54 2HG GLU 7 HG3 GLU 7 26.545 -2.908 5.885 55 H PHE 8 H PHE 8 22.020 -1.226 3.248 56 HA PHE 8 HA PHE 8 22.807 -0.037 0.628 57 1HB PHE 8 HB2 PHE 8 21.415 -2.711 1.017 58 2HB PHE 8 HB3 PHE 8 21.901 -1.991 -0.508 59 HD1 PHE 8 HD2 PHE 8 24.393 -1.694 -1.010 60 HD2 PHE 8 HD1 PHE 8 22.946 -4.083 2.282 61 HE1 PHE 8 HE2 PHE 8 26.600 -2.837 -0.860 62 HE2 PHE 8 HE1 PHE 8 25.154 -5.213 2.433 63 HZ PHE 8 HZ PHE 8 26.978 -4.587 0.865 64 H LYS 9 H LYS 9 21.053 0.599 -0.729 65 HA LYS 9 HA LYS 9 18.767 1.705 0.655 66 1HB LYS 9 HB2 LYS 9 19.385 1.556 -2.314 67 2HB LYS 9 HB3 LYS 9 18.135 2.558 -1.569 68 1HG LYS 9 HG2 LYS 9 21.133 2.880 -1.147 69 2HG LYS 9 HG3 LYS 9 20.088 3.886 -2.152 70 1HD LYS 9 HD2 LYS 9 18.792 4.535 -0.070 71 2HD LYS 9 HD3 LYS 9 19.925 3.575 0.886 72 1HE LYS 9 HE2 LYS 9 20.662 5.805 1.081 73 2HE LYS 9 HE3 LYS 9 21.807 4.992 0.006 74 1HZ LYS 9 HZ1 LYS 9 21.178 7.177 -0.789 75 2HZ LYS 9 HZ2 LYS 9 20.699 6.044 -1.865 76 3HZ LYS 9 HZ3 LYS 9 19.599 6.757 -0.871 77 H GLN 10 H GLN 10 19.166 -1.230 -1.100 78 HA GLN 10 HA GLN 10 16.644 -1.449 -2.293 79 1HB GLN 10 HB2 GLN 10 18.240 -3.919 -1.641 80 2HB GLN 10 HB3 GLN 10 17.184 -3.616 -3.026 81 1HG GLN 10 HG2 GLN 10 18.838 -1.847 -3.782 82 2HG GLN 10 HG3 GLN 10 19.841 -2.395 -2.407 83 1HE2 GLN 10 2HE2 GLN 10 20.644 -2.385 -5.173 84 2HE2 GLN 10 1HE2 GLN 10 20.920 -4.082 -5.605 85 H PHE 11 H PHE 11 17.547 -2.221 0.948 86 HA PHE 11 HA PHE 11 15.555 -4.046 1.545 87 1HB PHE 11 HB2 PHE 11 15.698 -3.498 3.826 88 2HB PHE 11 HB3 PHE 11 17.320 -3.386 3.148 89 HD1 PHE 11 HD1 PHE 11 17.414 -0.631 2.083 90 HD2 PHE 11 HD2 PHE 11 15.746 -2.131 5.746 91 HE1 PHE 11 HE1 PHE 11 17.715 1.558 3.053 92 HE2 PHE 11 HE2 PHE 11 16.100 0.092 6.786 93 HZ PHE 11 HZ PHE 11 17.105 1.947 5.472 94 H LEU 12 H LEU 12 15.323 -0.619 0.930 95 HA LEU 12 HA LEU 12 12.654 -0.344 1.968 96 1HB LEU 12 HB2 LEU 12 14.803 1.428 1.234 97 2HB LEU 12 HB3 LEU 12 13.400 1.838 0.272 98 HG LEU 12 HG LEU 12 12.136 1.489 2.689 99 1HD1 LEU 12 1HD1 LEU 12 14.934 2.391 3.444 100 2HD1 LEU 12 2HD1 LEU 12 13.553 2.124 4.527 101 3HD1 LEU 12 3HD1 LEU 12 14.322 0.752 3.699 102 1HD2 LEU 12 1HD2 LEU 12 13.635 3.909 1.741 103 2HD2 LEU 12 2HD2 LEU 12 12.021 3.330 1.241 104 3HD2 LEU 12 3HD2 LEU 12 12.261 3.884 2.913 105 H TYR 13 H TYR 13 14.097 -1.060 -0.983 106 HA TYR 13 HA TYR 13 11.775 -0.518 -2.689 107 1HB TYR 13 HB2 TYR 13 14.534 -1.648 -3.266 108 2HB TYR 13 HB3 TYR 13 13.402 -1.080 -4.464 109 HD1 TYR 13 HD1 TYR 13 12.550 1.418 -2.561 110 HD2 TYR 13 HD2 TYR 13 16.257 -0.079 -4.189 111 HE1 TYR 13 HE1 TYR 13 13.571 3.627 -2.212 112 HE2 TYR 13 HE2 TYR 13 17.261 2.173 -3.917 113 HH TYR 13 HH TYR 13 16.947 4.318 -3.242 114 H GLU 14 H GLU 14 13.185 -3.400 -1.231 115 HA GLU 14 HA GLU 14 11.146 -5.227 -2.351 116 1HB GLU 14 HB2 GLU 14 12.693 -5.515 0.188 117 2HB GLU 14 HB3 GLU 14 11.755 -6.772 -0.641 118 1HG GLU 14 HG2 GLU 14 13.338 -6.485 -2.614 119 2HG GLU 14 HG3 GLU 14 14.298 -5.425 -1.567 120 H ALA 15 H ALA 15 11.301 -2.893 0.185 121 HA ALA 15 HA ALA 15 9.691 -3.968 2.183 122 1HB ALA 15 HB1 ALA 15 9.430 -1.613 2.946 123 2HB ALA 15 HB2 ALA 15 11.076 -1.821 2.320 124 3HB ALA 15 HB3 ALA 15 9.805 -1.004 1.343 125 H SER 16 H SER 16 8.903 -1.933 -0.477 126 HA SER 16 HA SER 16 6.776 -0.600 0.417 127 1HB SER 16 HB2 SER 16 7.751 -1.470 -2.297 128 2HB SER 16 HB3 SER 16 6.411 -0.310 -2.138 129 HG SER 16 HG SER 16 8.152 0.943 -2.318 130 H ILE 17 H ILE 17 6.714 -3.674 -1.127 131 HA ILE 17 HA ILE 17 3.769 -3.754 -1.595 132 HB ILE 17 HB ILE 17 6.292 -4.000 -3.184 133 1HG1 ILE 17 2HG1 ILE 17 5.348 -2.746 -4.773 134 2HG1 ILE 17 3HG1 ILE 17 3.792 -3.484 -4.682 135 1HG2 ILE 17 1HG2 ILE 17 5.432 -5.388 -4.992 136 2HG2 ILE 17 2HG2 ILE 17 5.654 -6.288 -3.494 137 3HG2 ILE 17 3HG2 ILE 17 4.016 -5.817 -4.017 138 1HD1 ILE 17 1HD1 ILE 17 4.821 -1.264 -2.901 139 2HD1 ILE 17 2HD1 ILE 17 3.628 -1.117 -4.168 140 3HD1 ILE 17 3HD1 ILE 17 3.225 -2.002 -2.705 141 H ASP 18 H ASP 18 5.861 -5.034 0.418 142 HA ASP 18 HA ASP 18 5.665 -7.914 0.048 143 1HB ASP 18 HB2 ASP 18 7.565 -6.787 1.175 144 2HB ASP 18 HB3 ASP 18 6.499 -6.306 2.482 145 H GLU 19 H GLU 19 3.871 -5.576 1.910 146 HA GLU 19 HA GLU 19 1.797 -7.661 2.590 147 1HB GLU 19 HB2 GLU 19 2.682 -5.405 4.439 148 2HB GLU 19 HB3 GLU 19 1.354 -6.546 4.729 149 1HG GLU 19 HG2 GLU 19 3.000 -8.432 4.640 150 2HG GLU 19 HG3 GLU 19 4.305 -7.246 4.523 151 H PHE 20 H PHE 20 2.341 -4.185 2.135 152 HA PHE 20 HA PHE 20 -0.222 -3.140 2.415 153 1HB PHE 20 HB2 PHE 20 2.317 -2.264 1.808 154 2HB PHE 20 HB3 PHE 20 1.629 -2.162 0.204 155 HD1 PHE 20 HD2 PHE 20 -1.138 -1.082 0.726 156 HD2 PHE 20 HD1 PHE 20 2.731 -0.094 2.376 157 HE1 PHE 20 HE2 PHE 20 -1.834 1.265 0.972 158 HE2 PHE 20 HE1 PHE 20 2.011 2.274 2.624 159 HZ PHE 20 HZ PHE 20 -0.233 2.943 1.907 160 H MET 21 H MET 21 1.231 -4.185 -0.682 161 HA MET 21 HA MET 21 -0.953 -3.766 -2.428 162 1HB MET 21 HB2 MET 21 1.474 -5.591 -2.320 163 2HB MET 21 HB3 MET 21 0.243 -5.970 -3.533 164 1HG MET 21 HG2 MET 21 1.535 -3.228 -3.211 165 2HG MET 21 HG3 MET 21 2.083 -4.541 -4.305 166 1HE MET 21 HE1 MET 21 -0.097 -5.789 -5.903 167 2HE MET 21 HE2 MET 21 -1.506 -5.275 -4.935 168 3HE MET 21 HE3 MET 21 -1.344 -4.742 -6.604 169 H GLY 22 H GLY 22 -0.324 -6.338 -0.151 170 1HA GLY 22 HA2 GLY 22 -2.515 -8.062 -1.017 171 2HA GLY 22 HA3 GLY 22 -1.499 -8.273 0.452 172 H LYS 23 H LYS 23 -2.091 -5.252 1.123 173 HA LYS 23 HA LYS 23 -4.157 -5.980 2.906 174 1HB LYS 23 HB2 LYS 23 -3.267 -4.595 4.326 175 2HB LYS 23 HB3 LYS 23 -1.877 -4.710 3.287 176 1HG LYS 23 HG2 LYS 23 -2.527 -2.671 2.171 177 2HG LYS 23 HG3 LYS 23 -3.913 -2.577 3.148 178 1HD LYS 23 HD2 LYS 23 -1.161 -2.779 4.363 179 2HD LYS 23 HD3 LYS 23 -1.861 -1.184 3.968 180 1HE LYS 23 HE2 LYS 23 -3.692 -1.608 5.541 181 2HE LYS 23 HE3 LYS 23 -3.151 -3.281 5.703 182 1HZ LYS 23 HZ1 LYS 23 -1.160 -2.488 6.791 183 2HZ LYS 23 HZ2 LYS 23 -1.638 -0.915 6.646 184 3HZ LYS 23 HZ3 LYS 23 -2.482 -1.954 7.587 185 H ILE 24 H ILE 24 -3.477 -3.843 0.189 186 HA ILE 24 HA ILE 24 -6.265 -3.035 -0.167 187 HB ILE 24 HB ILE 24 -5.220 -2.488 -2.528 188 1HG1 ILE 24 2HG1 ILE 24 -2.666 -2.364 -1.130 189 2HG1 ILE 24 3HG1 ILE 24 -3.176 -3.479 -2.440 190 1HG2 ILE 24 1HG2 ILE 24 -4.949 -0.329 -1.667 191 2HG2 ILE 24 2HG2 ILE 24 -5.964 -0.991 -0.416 192 3HG2 ILE 24 3HG2 ILE 24 -4.225 -0.872 -0.137 193 1HD1 ILE 24 1HD1 ILE 24 -3.728 -1.710 -3.820 194 2HD1 ILE 24 2HD1 ILE 24 -2.860 -0.677 -2.588 195 3HD1 ILE 24 3HD1 ILE 24 -1.981 -1.979 -3.416 196 H ALA 25 H ALA 25 -4.291 -5.623 -1.711 197 HA ALA 25 HA ALA 25 -6.309 -6.224 -3.652 198 1HB ALA 25 HB1 ALA 25 -5.153 -8.377 -3.950 199 2HB ALA 25 HB2 ALA 25 -4.035 -7.012 -3.968 200 3HB ALA 25 HB3 ALA 25 -4.159 -8.051 -2.522 201 H SER 26 H SER 26 -5.981 -6.893 -0.291 202 HA SER 26 HA SER 26 -8.272 -8.689 -0.260 203 1HB SER 26 HB2 SER 26 -7.381 -9.889 1.397 204 2HB SER 26 HB3 SER 26 -5.874 -9.318 0.698 205 HG SER 26 HG SER 26 -7.319 -8.040 2.783 206 H CYS 27 H CYS 27 -8.194 -5.533 -0.186 207 HA CYS 27 HA CYS 27 -8.792 -4.780 2.393 208 1HB CYS 27 HB2 CYS 27 -9.537 -2.693 1.356 209 2HB CYS 27 HB3 CYS 27 -8.134 -3.319 0.479 210 HG CYS 27 HG CYS 27 -9.000 -4.024 -1.560 211 H GLN 28 H GLN 28 -10.752 -6.342 0.141 212 HA GLN 28 HA GLN 28 -12.811 -7.165 -0.141 213 1HB GLN 28 HB2 GLN 28 -12.906 -6.855 2.877 214 2HB GLN 28 HB3 GLN 28 -14.076 -7.806 1.977 215 1HG GLN 28 HG2 GLN 28 -12.566 -9.509 1.516 216 2HG GLN 28 HG3 GLN 28 -11.166 -8.444 1.634 217 1HE2 GLN 28 1HE2 GLN 28 -10.245 -7.985 3.624 218 2HE2 GLN 28 2HE2 GLN 28 -10.828 -8.697 5.135 219 H THR 29 H THR 29 -12.663 -4.006 0.698 220 HA THR 29 HA THR 29 -15.512 -3.355 0.243 221 HB THR 29 HB THR 29 -15.361 -1.862 2.296 222 HG1 THR 29 HG1 THR 29 -13.162 -3.563 2.848 223 1HG2 THR 29 1HG2 THR 29 -16.180 -3.495 3.908 224 2HG2 THR 29 2HG2 THR 29 -16.813 -3.898 2.299 225 3HG2 THR 29 3HG2 THR 29 -15.460 -4.833 2.985 226 H LEU 30 H LEU 30 -15.707 -1.243 -0.584 227 HA LEU 30 HA LEU 30 -13.137 -0.154 -1.503 228 1HB LEU 30 HB2 LEU 30 -15.490 0.166 -2.685 229 2HB LEU 30 HB3 LEU 30 -15.714 1.351 -1.430 230 HG LEU 30 HG LEU 30 -13.016 1.809 -2.234 231 1HD1 LEU 30 1HD1 LEU 30 -13.328 2.259 -4.634 232 2HD1 LEU 30 2HD1 LEU 30 -12.879 0.691 -4.017 233 3HD1 LEU 30 3HD1 LEU 30 -14.547 1.022 -4.547 234 1HD2 LEU 30 1HD2 LEU 30 -15.443 3.127 -3.192 235 2HD2 LEU 30 2HD2 LEU 30 -14.632 3.344 -1.566 236 3HD2 LEU 30 3HD2 LEU 30 -13.747 3.794 -3.114 237 H GLU 31 H GLU 31 -15.557 0.406 0.874 238 HA GLU 31 HA GLU 31 -14.832 2.833 1.872 239 1HB GLU 31 HB2 GLU 31 -16.877 1.164 2.058 240 2HB GLU 31 HB3 GLU 31 -15.995 0.415 3.384 241 1HG GLU 31 HG2 GLU 31 -15.838 2.571 4.373 242 2HG GLU 31 HG3 GLU 31 -17.029 3.270 3.233 243 H GLY 32 H GLY 32 -13.694 -0.361 2.604 244 1HA GLY 32 HA2 GLY 32 -11.724 0.589 4.536 245 2HA GLY 32 HA3 GLY 32 -11.823 -1.085 3.878 246 H LEU 33 H LEU 33 -11.559 -0.320 1.102 247 HA LEU 33 HA LEU 33 -8.765 0.024 0.793 248 1HB LEU 33 HB2 LEU 33 -10.524 -0.840 -0.825 249 2HB LEU 33 HB3 LEU 33 -11.227 0.667 -0.981 250 HG LEU 33 HG LEU 33 -9.460 1.657 -2.255 251 1HD1 LEU 33 1HD1 LEU 33 -7.489 0.349 -2.903 252 2HD1 LEU 33 2HD1 LEU 33 -7.473 0.898 -1.213 253 3HD1 LEU 33 3HD1 LEU 33 -7.851 -0.815 -1.601 254 1HD2 LEU 33 1HD2 LEU 33 -9.651 -1.202 -3.134 255 2HD2 LEU 33 2HD2 LEU 33 -10.976 -0.027 -3.332 256 3HD2 LEU 33 3HD2 LEU 33 -9.397 0.240 -4.115 257 H GLU 34 H GLU 34 -11.279 2.308 0.598 258 HA GLU 34 HA GLU 34 -9.964 4.748 0.164 259 1HB GLU 34 HB2 GLU 34 -12.471 3.784 1.382 260 2HB GLU 34 HB3 GLU 34 -12.115 5.523 1.532 261 1HG GLU 34 HG2 GLU 34 -12.198 4.025 -1.160 262 2HG GLU 34 HG3 GLU 34 -13.534 4.855 -0.367 263 H GLU 35 H GLU 35 -10.511 2.917 3.101 264 HA GLU 35 HA GLU 35 -9.456 4.938 5.019 265 1HB GLU 35 HB2 GLU 35 -10.026 1.978 5.451 266 2HB GLU 35 HB3 GLU 35 -9.375 3.060 6.657 267 1HG GLU 35 HG2 GLU 35 -11.891 3.925 5.308 268 2HG GLU 35 HG3 GLU 35 -12.000 2.505 6.376 269 H LEU 36 H LEU 36 -8.369 1.926 3.516 270 HA LEU 36 HA LEU 36 -5.698 1.996 4.280 271 1HB LEU 36 HB2 LEU 36 -6.595 0.947 1.597 272 2HB LEU 36 HB3 LEU 36 -5.092 0.620 2.402 273 HG LEU 36 HG LEU 36 -7.741 -0.229 3.568 274 1HD1 LEU 36 1HD1 LEU 36 -7.315 -1.360 1.392 275 2HD1 LEU 36 2HD1 LEU 36 -5.694 -1.788 1.952 276 3HD1 LEU 36 3HD1 LEU 36 -7.132 -2.468 2.753 277 1HD2 LEU 36 1HD2 LEU 36 -6.074 0.006 5.170 278 2HD2 LEU 36 2HD2 LEU 36 -6.218 -1.733 4.786 279 3HD2 LEU 36 3HD2 LEU 36 -4.877 -0.749 4.088 280 H GLU 37 H GLU 37 -7.341 3.576 1.476 281 HA GLU 37 HA GLU 37 -5.226 4.709 0.357 282 1HB GLU 37 HB2 GLU 37 -7.556 4.642 -0.425 283 2HB GLU 37 HB3 GLU 37 -7.950 6.099 0.412 284 1HG GLU 37 HG2 GLU 37 -5.613 5.803 -1.469 285 2HG GLU 37 HG3 GLU 37 -7.233 6.069 -2.159 286 H ALA 38 H ALA 38 -7.384 6.037 2.801 287 HA ALA 38 HA ALA 38 -5.947 8.429 3.129 288 1HB ALA 38 HB1 ALA 38 -8.241 8.163 4.046 289 2HB ALA 38 HB2 ALA 38 -7.674 6.902 5.163 290 3HB ALA 38 HB3 ALA 38 -7.134 8.583 5.371 291 H TYR 39 H TYR 39 -5.671 5.253 4.893 292 HA TYR 39 HA TYR 39 -3.738 6.093 6.697 293 1HB TYR 39 HB2 TYR 39 -4.387 4.043 7.417 294 2HB TYR 39 HB3 TYR 39 -4.834 3.519 5.802 295 HD1 TYR 39 HD1 TYR 39 -1.979 3.639 8.197 296 HD2 TYR 39 HD2 TYR 39 -3.427 2.237 4.388 297 HE1 TYR 39 HE1 TYR 39 0.113 2.357 7.852 298 HE2 TYR 39 HE2 TYR 39 -1.346 1.068 3.994 299 HH TYR 39 HH TYR 39 0.811 0.679 4.780 300 H TYR 40 H TYR 40 -3.313 4.865 3.405 301 HA TYR 40 HA TYR 40 -0.493 4.754 3.125 302 1HB TYR 40 HB2 TYR 40 -2.154 3.892 1.532 303 2HB TYR 40 HB3 TYR 40 -2.853 5.486 1.380 304 HD1 TYR 40 HD2 TYR 40 0.799 5.612 1.051 305 HD2 TYR 40 HD1 TYR 40 -2.973 4.880 -0.925 306 HE1 TYR 40 HE2 TYR 40 1.799 6.213 -1.129 307 HE2 TYR 40 HE1 TYR 40 -1.924 5.363 -3.099 308 HH TYR 40 HH TYR 40 1.342 6.747 -3.347 309 H LYS 41 H LYS 41 -2.755 7.458 2.299 310 HA LYS 41 HA LYS 41 -0.784 9.402 1.815 311 1HB LYS 41 HB2 LYS 41 -3.556 9.787 2.851 312 2HB LYS 41 HB3 LYS 41 -2.549 11.053 2.146 313 1HG LYS 41 HG2 LYS 41 -2.824 8.552 0.455 314 2HG LYS 41 HG3 LYS 41 -4.283 9.410 0.810 315 1HD LYS 41 HD2 LYS 41 -3.464 10.259 -1.243 316 2HD LYS 41 HD3 LYS 41 -3.127 11.536 -0.059 317 1HE LYS 41 HE2 LYS 41 -0.913 10.127 0.195 318 2HE LYS 41 HE3 LYS 41 -1.310 9.525 -1.416 319 1HZ LYS 41 HZ1 LYS 41 -1.343 11.822 -2.208 320 2HZ LYS 41 HZ2 LYS 41 -0.910 12.378 -0.718 321 3HZ LYS 41 HZ3 LYS 41 0.121 11.450 -1.587 322 H LYS 42 H LYS 42 -2.331 8.530 4.928 323 HA LYS 42 HA LYS 42 -1.399 10.556 6.623 324 1HB LYS 42 HB2 LYS 42 -2.462 7.724 6.789 325 2HB LYS 42 HB3 LYS 42 -2.156 8.607 8.210 326 1HG LYS 42 HG2 LYS 42 -4.001 9.692 6.078 327 2HG LYS 42 HG3 LYS 42 -4.543 8.543 7.321 328 1HD LYS 42 HD2 LYS 42 -4.059 10.209 9.061 329 2HD LYS 42 HD3 LYS 42 -3.372 11.296 7.812 330 1HE LYS 42 HE2 LYS 42 -5.612 10.957 6.559 331 2HE LYS 42 HE3 LYS 42 -6.238 10.255 8.057 332 1HZ LYS 42 HZ1 LYS 42 -6.773 12.601 7.917 333 2HZ LYS 42 HZ2 LYS 42 -5.780 12.317 9.195 334 3HZ LYS 42 HZ3 LYS 42 -5.195 13.005 7.822 335 H ARG 43 H ARG 43 -0.098 7.260 5.825 336 HA ARG 43 HA ARG 43 2.111 7.547 7.658 337 1HB ARG 43 HB2 ARG 43 1.003 5.408 6.741 338 2HB ARG 43 HB3 ARG 43 2.096 5.596 5.350 339 1HG ARG 43 HG2 ARG 43 3.930 5.880 7.189 340 2HG ARG 43 HG3 ARG 43 2.739 5.214 8.308 341 1HD ARG 43 HD2 ARG 43 2.519 3.192 6.841 342 2HD ARG 43 HD3 ARG 43 3.782 3.824 5.792 343 HE ARG 43 HE ARG 43 5.365 3.692 7.658 344 1HH1 ARG 43 1HH1 ARG 43 2.507 1.660 8.029 345 2HH1 ARG 43 2HH1 ARG 43 3.258 0.720 9.284 346 1HH2 ARG 43 1HH2 ARG 43 6.266 2.393 9.186 347 2HH2 ARG 43 2HH2 ARG 43 5.347 1.060 9.845 348 H VAL 44 H VAL 44 1.908 7.969 4.089 349 HA VAL 44 HA VAL 44 4.442 7.992 3.315 350 HB VAL 44 HB VAL 44 1.932 9.535 2.609 351 1HG1 VAL 44 1HG1 VAL 44 2.840 10.182 0.459 352 2HG1 VAL 44 2HG1 VAL 44 3.515 11.093 1.824 353 3HG1 VAL 44 3HG1 VAL 44 4.493 9.789 1.052 354 1HG2 VAL 44 1HG2 VAL 44 3.466 7.658 0.857 355 2HG2 VAL 44 2HG2 VAL 44 2.531 7.017 2.199 356 3HG2 VAL 44 3HG2 VAL 44 1.720 7.995 0.931 357 H LYS 45 H LYS 45 2.771 10.764 4.644 358 HA LYS 45 HA LYS 45 4.818 12.682 4.453 359 1HB LYS 45 HB2 LYS 45 3.225 14.014 5.822 360 2HB LYS 45 HB3 LYS 45 2.362 12.973 4.652 361 1HG LYS 45 HG2 LYS 45 2.159 11.323 6.532 362 2HG LYS 45 HG3 LYS 45 2.907 12.579 7.559 363 1HD LYS 45 HD2 LYS 45 0.927 14.097 7.032 364 2HD LYS 45 HD3 LYS 45 0.119 12.611 6.433 365 1HE LYS 45 HE2 LYS 45 1.157 11.510 8.532 366 2HE LYS 45 HE3 LYS 45 1.447 13.131 9.148 367 1HZ LYS 45 HZ1 LYS 45 -0.607 12.307 10.039 368 2HZ LYS 45 HZ2 LYS 45 -0.911 13.597 9.073 369 3HZ LYS 45 HZ3 LYS 45 -1.250 12.083 8.541 370 H GLU 46 H GLU 46 4.041 10.320 6.835 371 HA GLU 46 HA GLU 46 5.223 11.475 9.251 372 1HB GLU 46 HB2 GLU 46 3.008 10.259 8.946 373 2HB GLU 46 HB3 GLU 46 4.014 8.817 8.948 374 1HG GLU 46 HG2 GLU 46 3.135 9.285 11.123 375 2HG GLU 46 HG3 GLU 46 4.884 9.375 11.141 376 H THR 47 H THR 47 6.115 9.488 6.703 377 HA THR 47 HA THR 47 8.743 9.131 7.837 378 HB THR 47 HB THR 47 7.791 7.175 8.801 379 HG1 THR 47 HG1 THR 47 9.126 5.705 8.151 380 1HG2 THR 47 1HG2 THR 47 5.854 6.770 7.505 381 2HG2 THR 47 2HG2 THR 47 6.780 6.391 6.041 382 3HG2 THR 47 3HG2 THR 47 6.846 5.314 7.464 383 H GLU 48 H GLU 48 8.823 6.866 5.490 384 HA GLU 48 HA GLU 48 9.630 8.834 3.465 385 1HB GLU 48 HB2 GLU 48 11.331 6.586 4.454 386 2HB GLU 48 HB3 GLU 48 11.794 7.857 3.301 387 1HG GLU 48 HG2 GLU 48 11.248 9.527 5.149 388 2HG GLU 48 HG3 GLU 48 11.098 8.143 6.234 389 H LEU 49 H LEU 49 7.456 7.867 2.838 390 HA LEU 49 HA LEU 49 7.697 5.472 1.206 391 1HB LEU 49 HB2 LEU 49 5.504 6.200 2.015 392 2HB LEU 49 HB3 LEU 49 5.599 7.626 0.956 393 HG LEU 49 HG LEU 49 6.291 5.029 -0.324 394 1HD1 LEU 49 1HD1 LEU 49 4.648 4.035 0.937 395 2HD1 LEU 49 2HD1 LEU 49 3.439 5.278 0.500 396 3HD1 LEU 49 3HD1 LEU 49 4.101 4.195 -0.759 397 1HD2 LEU 49 1HD2 LEU 49 4.035 6.765 -1.315 398 2HD2 LEU 49 2HD2 LEU 49 5.738 7.103 -1.695 399 3HD2 LEU 49 3HD2 LEU 49 5.027 5.541 -2.128 400 H LYS 50 H LYS 50 9.604 5.742 0.233 401 HA LYS 50 HA LYS 50 10.377 7.405 -1.841 402 1HB LYS 50 HB2 LYS 50 11.771 5.722 -2.460 403 2HB LYS 50 HB3 LYS 50 11.424 5.217 -0.863 404 1HG LYS 50 HG2 LYS 50 9.574 3.998 -2.873 405 2HG LYS 50 HG3 LYS 50 11.283 3.697 -3.194 406 1HD LYS 50 HD2 LYS 50 10.300 1.926 -1.856 407 2HD LYS 50 HD3 LYS 50 11.552 2.837 -0.972 408 1HE LYS 50 HE2 LYS 50 9.958 4.104 0.219 409 2HE LYS 50 HE3 LYS 50 8.598 3.489 -0.742 410 1HZ LYS 50 HZ1 LYS 50 8.686 2.360 1.401 411 2HZ LYS 50 HZ2 LYS 50 8.925 1.295 0.165 412 3HZ LYS 50 HZ3 LYS 50 10.199 1.778 1.077 413 H ASP 51 H ASP 51 10.356 6.743 -4.220 414 HA ASP 51 HA ASP 51 7.685 7.297 -5.231 415 1HB ASP 51 HB2 ASP 51 8.713 7.075 -7.447 416 2HB ASP 51 HB3 ASP 51 9.585 8.207 -6.396 417 H THR 52 H THR 52 9.580 4.383 -4.932 418 HA THR 52 HA THR 52 8.415 2.763 -6.990 419 HB THR 52 HB THR 52 9.571 2.167 -4.230 420 HG1 THR 52 HG1 THR 52 10.941 2.141 -6.707 421 1HG2 THR 52 1HG2 THR 52 10.345 -0.047 -5.154 422 2HG2 THR 52 2HG2 THR 52 8.626 0.131 -4.790 423 3HG2 THR 52 3HG2 THR 52 9.189 0.219 -6.493 424 H ASP 53 H ASP 53 7.632 3.090 -3.541 425 HA ASP 53 HA ASP 53 5.680 0.946 -3.444 426 1HB ASP 53 HB2 ASP 53 6.982 2.333 -1.564 427 2HB ASP 53 HB3 ASP 53 5.807 3.495 -1.800 428 H ASP 54 H ASP 54 5.616 4.403 -3.890 429 HA ASP 54 HA ASP 54 2.912 4.880 -3.525 430 1HB ASP 54 HB2 ASP 54 5.049 6.492 -3.979 431 2HB ASP 54 HB3 ASP 54 4.678 6.317 -5.620 432 H ILE 55 H ILE 55 4.585 4.140 -6.423 433 HA ILE 55 HA ILE 55 2.229 4.342 -8.217 434 HB ILE 55 HB ILE 55 4.300 2.647 -9.392 435 1HG1 ILE 55 2HG1 ILE 55 5.657 5.014 -8.190 436 2HG1 ILE 55 3HG1 ILE 55 5.681 3.374 -7.533 437 1HG2 ILE 55 1HG2 ILE 55 4.340 4.421 -11.034 438 2HG2 ILE 55 2HG2 ILE 55 2.671 4.096 -10.484 439 3HG2 ILE 55 3HG2 ILE 55 3.533 5.534 -9.892 440 1HD1 ILE 55 1HD1 ILE 55 7.614 3.729 -8.885 441 2HD1 ILE 55 2HD1 ILE 55 6.607 2.297 -9.193 442 3HD1 ILE 55 3HD1 ILE 55 6.550 3.697 -10.332 443 H SER 56 H SER 56 4.207 1.650 -6.873 444 HA SER 56 HA SER 56 2.865 -0.280 -8.496 445 1HB SER 56 HB2 SER 56 4.894 -0.227 -6.409 446 2HB SER 56 HB3 SER 56 3.848 -1.663 -6.284 447 HG SER 56 HG SER 56 5.709 -1.875 -7.691 448 H VAL 57 H VAL 57 2.427 0.814 -5.285 449 HA VAL 57 HA VAL 57 0.149 -0.814 -4.591 450 HB VAL 57 HB VAL 57 2.104 0.248 -3.127 451 1HG1 VAL 57 1HG1 VAL 57 -0.101 2.162 -2.613 452 2HG1 VAL 57 2HG1 VAL 57 1.507 1.974 -1.805 453 3HG1 VAL 57 3HG1 VAL 57 1.463 2.510 -3.488 454 1HG2 VAL 57 1HG2 VAL 57 0.797 -0.229 -1.185 455 2HG2 VAL 57 2HG2 VAL 57 -0.730 -0.019 -2.075 456 3HG2 VAL 57 3HG2 VAL 57 0.345 -1.414 -2.417 457 H ARG 58 H ARG 58 0.595 2.780 -5.223 458 HA ARG 58 HA ARG 58 -2.131 3.298 -5.068 459 1HB ARG 58 HB2 ARG 58 -0.545 5.041 -5.600 460 2HB ARG 58 HB3 ARG 58 -0.387 4.499 -7.253 461 1HG ARG 58 HG2 ARG 58 -1.803 6.433 -7.103 462 2HG ARG 58 HG3 ARG 58 -2.815 5.092 -7.627 463 1HD ARG 58 HD2 ARG 58 -3.640 4.891 -5.264 464 2HD ARG 58 HD3 ARG 58 -2.662 6.297 -4.827 465 HE ARG 58 HE ARG 58 -5.182 6.294 -6.290 466 1HH1 ARG 58 2HH2 ARG 58 -2.343 8.277 -5.619 467 2HH1 ARG 58 1HH2 ARG 58 -3.186 9.743 -6.062 468 1HH2 ARG 58 1HH1 ARG 58 -6.153 8.207 -6.816 469 2HH2 ARG 58 2HH1 ARG 58 -5.273 9.699 -6.681 470 H ASP 59 H ASP 59 -0.405 2.029 -7.896 471 HA ASP 59 HA ASP 59 -2.620 2.570 -9.626 472 1HB ASP 59 HB2 ASP 59 -0.298 2.295 -10.388 473 2HB ASP 59 HB3 ASP 59 -0.332 0.580 -9.954 474 H ALA 60 H ALA 60 -1.946 0.203 -7.488 475 HA ALA 60 HA ALA 60 -3.696 -2.006 -8.285 476 1HB ALA 60 HB1 ALA 60 -1.751 -1.576 -5.965 477 2HB ALA 60 HB2 ALA 60 -2.761 -3.021 -6.195 478 3HB ALA 60 HB3 ALA 60 -1.498 -2.579 -7.395 479 H LEU 61 H LEU 61 -3.322 0.347 -5.604 480 HA LEU 61 HA LEU 61 -5.622 -0.221 -4.181 481 1HB LEU 61 HB2 LEU 61 -3.475 0.966 -3.661 482 2HB LEU 61 HB3 LEU 61 -3.971 2.322 -4.638 483 HG LEU 61 HG LEU 61 -5.733 1.419 -2.519 484 1HD1 LEU 61 1HD1 LEU 61 -3.142 2.823 -1.925 485 2HD1 LEU 61 2HD1 LEU 61 -4.433 2.485 -0.738 486 3HD1 LEU 61 3HD1 LEU 61 -3.517 1.160 -1.495 487 1HD2 LEU 61 1HD2 LEU 61 -6.212 3.712 -2.130 488 2HD2 LEU 61 2HD2 LEU 61 -4.847 4.225 -3.173 489 3HD2 LEU 61 3HD2 LEU 61 -6.291 3.451 -3.866 490 H ALA 62 H ALA 62 -4.916 2.479 -6.468 491 HA ALA 62 HA ALA 62 -7.627 3.045 -6.976 492 1HB ALA 62 HB1 ALA 62 -5.253 3.488 -8.827 493 2HB ALA 62 HB2 ALA 62 -6.822 4.326 -8.939 494 3HB ALA 62 HB3 ALA 62 -5.772 4.613 -7.542 495 H GLY 63 H GLY 63 -5.684 0.507 -8.023 496 1HA GLY 63 HA2 GLY 63 -6.632 -0.472 -10.442 497 2HA GLY 63 HA3 GLY 63 -5.884 -1.339 -9.156 498 H LYS 64 H LYS 64 -7.206 -1.181 -7.033 499 HA LYS 64 HA LYS 64 -9.504 -2.898 -7.404 500 1HB LYS 64 HB2 LYS 64 -7.583 -3.225 -5.723 501 2HB LYS 64 HB3 LYS 64 -8.373 -1.951 -4.791 502 1HG LYS 64 HG2 LYS 64 -9.795 -3.542 -3.951 503 2HG LYS 64 HG3 LYS 64 -10.424 -3.730 -5.574 504 1HD LYS 64 HD2 LYS 64 -8.692 -5.436 -6.088 505 2HD LYS 64 HD3 LYS 64 -8.146 -5.324 -4.395 506 1HE LYS 64 HE2 LYS 64 -10.408 -6.004 -3.607 507 2HE LYS 64 HE3 LYS 64 -10.978 -6.021 -5.278 508 1HZ LYS 64 HZ1 LYS 64 -9.383 -7.803 -5.720 509 2HZ LYS 64 HZ2 LYS 64 -8.947 -7.825 -4.121 510 3HZ LYS 64 HZ3 LYS 64 -10.464 -8.226 -4.569 511 H ARG 65 H ARG 65 -9.015 0.449 -6.542 512 HA ARG 65 HA ARG 65 -11.346 0.937 -5.262 513 1HB ARG 65 HB2 ARG 65 -9.294 2.370 -5.831 514 2HB ARG 65 HB3 ARG 65 -10.225 2.947 -7.185 515 1HG ARG 65 HG2 ARG 65 -11.674 4.214 -5.785 516 2HG ARG 65 HG3 ARG 65 -11.533 3.059 -4.516 517 1HD ARG 65 HD2 ARG 65 -9.305 3.692 -3.918 518 2HD ARG 65 HD3 ARG 65 -9.070 4.516 -5.446 519 HE ARG 65 HE ARG 65 -10.344 5.614 -3.039 520 1HH1 ARG 65 1HH1 ARG 65 -10.027 6.189 -6.512 521 2HH1 ARG 65 2HH1 ARG 65 -10.543 7.847 -6.332 522 1HH2 ARG 65 1HH2 ARG 65 -10.943 7.576 -2.903 523 2HH2 ARG 65 2HH2 ARG 65 -11.089 8.649 -4.305 524 H ALA 66 H ALA 66 -10.798 0.964 -8.728 525 HA ALA 66 HA ALA 66 -13.462 1.768 -9.514 526 1HB ALA 66 HB1 ALA 66 -11.505 0.033 -11.022 527 2HB ALA 66 HB2 ALA 66 -12.955 0.814 -11.682 528 3HB ALA 66 HB3 ALA 66 -11.587 1.822 -11.105 529 H GLU 67 H GLU 67 -12.099 -1.331 -8.521 530 HA GLU 67 HA GLU 67 -14.061 -3.124 -9.726 531 1HB GLU 67 HB2 GLU 67 -12.254 -3.526 -7.354 532 2HB GLU 67 HB3 GLU 67 -13.016 -4.769 -8.356 533 1HG GLU 67 HG2 GLU 67 -10.874 -2.776 -9.296 534 2HG GLU 67 HG3 GLU 67 -10.665 -4.364 -8.609 535 H LEU 68 H LEU 68 -13.352 -1.452 -6.798 536 HA LEU 68 HA LEU 68 -15.210 -2.877 -5.096 537 1HB LEU 68 HB2 LEU 68 -12.936 -1.149 -4.816 538 2HB LEU 68 HB3 LEU 68 -14.166 -1.109 -3.517 539 HG LEU 68 HG LEU 68 -12.791 -3.603 -4.626 540 1HD1 LEU 68 1HD1 LEU 68 -12.559 -2.048 -2.136 541 2HD1 LEU 68 2HD1 LEU 68 -11.814 -3.635 -2.582 542 3HD1 LEU 68 3HD1 LEU 68 -11.466 -2.171 -3.552 543 1HD2 LEU 68 1HD2 LEU 68 -13.776 -4.504 -2.330 544 2HD2 LEU 68 2HD2 LEU 68 -14.596 -2.939 -2.192 545 3HD2 LEU 68 3HD2 LEU 68 -15.101 -4.119 -3.436 546 H GLU 69 H GLU 69 -14.956 0.156 -6.721 547 HA GLU 69 HA GLU 69 -17.258 1.512 -5.772 548 1HB GLU 69 HB2 GLU 69 -15.080 1.620 -7.853 549 2HB GLU 69 HB3 GLU 69 -16.423 2.298 -8.292 550 1HG GLU 69 HG2 GLU 69 -16.301 3.722 -6.004 551 2HG GLU 69 HG3 GLU 69 -14.709 3.053 -5.930 552 H ASP 70 H ASP 70 -16.492 -0.691 -8.310 553 HA ASP 70 HA ASP 70 -19.233 -0.932 -9.419 554 1HB ASP 70 HB2 ASP 70 -16.578 -2.256 -9.958 555 2HB ASP 70 HB3 ASP 70 -18.002 -3.188 -10.295 556 H SER 71 H SER 71 -17.466 -1.995 -6.719 557 HA SER 71 HA SER 71 -19.611 -3.999 -6.053 558 1HB SER 71 HB2 SER 71 -17.180 -4.751 -6.225 559 2HB SER 71 HB3 SER 71 -16.900 -3.826 -4.722 560 HG SER 71 HG SER 71 -18.503 -5.120 -3.743 561 H ASP 72 H ASP 72 -20.021 -1.236 -5.676 562 HA ASP 72 HA ASP 72 -19.378 0.111 -3.401 563 1HB ASP 72 HB2 ASP 72 -20.556 0.959 -5.405 564 2HB ASP 72 HB3 ASP 72 -22.045 0.220 -4.826 565 H ASP 73 H ASP 73 -21.466 -2.628 -3.294 566 HA ASP 73 HA ASP 73 -23.346 -2.362 -1.327 567 1HB ASP 73 HB2 ASP 73 -21.347 -4.626 -1.779 568 2HB ASP 73 HB3 ASP 73 -22.924 -4.738 -0.987 569 H GLU 74 H GLU 74 -23.406 -1.915 0.747 570 HA GLU 74 HA GLU 74 -20.902 -0.897 1.856 571 1HB GLU 74 HB2 GLU 74 -23.754 -0.395 2.693 572 2HB GLU 74 HB3 GLU 74 -22.313 0.442 3.316 573 1HG GLU 74 HG2 GLU 74 -21.778 1.170 0.956 574 2HG GLU 74 HG3 GLU 74 -23.260 0.410 0.418 575 H VAL 75 H VAL 75 -19.784 -1.648 3.413 576 HA VAL 75 HA VAL 75 -18.790 -3.119 4.749 577 HB VAL 75 HB VAL 75 -21.454 -3.122 6.145 578 1HG1 VAL 75 1HG1 VAL 75 -18.963 -4.596 7.052 579 2HG1 VAL 75 2HG1 VAL 75 -20.378 -4.242 8.075 580 3HG1 VAL 75 3HG1 VAL 75 -20.547 -5.303 6.679 581 1HG2 VAL 75 1HG2 VAL 75 -18.724 -2.015 6.896 582 2HG2 VAL 75 2HG2 VAL 75 -20.099 -1.068 6.274 583 3HG2 VAL 75 3HG2 VAL 75 -20.213 -1.856 7.853 584 H GLU 76 H GLU 76 -21.880 -4.404 4.129 585 HA GLU 76 HA GLU 76 -20.874 -7.070 3.296 586 1HB GLU 76 HB2 GLU 76 -22.331 -8.194 4.808 587 2HB GLU 76 HB3 GLU 76 -21.344 -7.100 5.723 588 1HG GLU 76 HG2 GLU 76 -23.252 -5.471 5.814 589 2HG GLU 76 HG3 GLU 76 -24.252 -6.603 4.878 590 H GLU 77 H GLU 77 -23.408 -4.662 3.199 591 HA GLU 77 HA GLU 77 -24.705 -5.801 0.870 592 1HB GLU 77 HB2 GLU 77 -25.645 -7.128 2.807 593 2HB GLU 77 HB3 GLU 77 -26.350 -5.651 3.425 594 1HG GLU 77 HG2 GLU 77 -27.679 -5.395 1.344 595 2HG GLU 77 HG3 GLU 77 -26.889 -6.820 0.660 596 H SER 78 H SER 78 -25.371 -3.670 3.656 597 HA SER 78 HA SER 78 -26.175 -1.353 2.008 598 1HB SER 78 HB2 SER 78 -28.554 -1.580 2.804 599 2HB SER 78 HB3 SER 78 -28.052 -2.878 1.726 600 HG SER 78 HG SER 78 -27.811 -4.255 3.473 601 H PHE 79 H PHE 79 -24.427 -1.957 4.493 602 HA PHE 79 HA PHE 79 -25.634 -1.108 6.887 603 1HB PHE 79 HB2 PHE 79 -23.537 -2.360 6.687 604 2HB PHE 79 HB3 PHE 79 -22.732 -0.938 6.010 605 HD1 PHE 79 HD1 PHE 79 -24.286 -2.368 9.082 606 HD2 PHE 79 HD2 PHE 79 -21.893 0.819 7.441 607 HE1 PHE 79 HE1 PHE 79 -23.654 -1.650 11.391 608 HE2 PHE 79 HE2 PHE 79 -21.265 1.527 9.742 609 HZ PHE 79 HZ PHE 79 -22.158 0.309 11.704 Start of MODEL 4 1 1H GLY 1 H1 GLY 1 25.656 -12.268 0.865 2 2H GLY 1 H2 GLY 1 26.586 -12.543 -0.451 3 3H GLY 1 H3 GLY 1 25.348 -11.480 -0.542 4 1HA GLY 1 HA2 GLY 1 27.774 -11.153 1.114 5 2HA GLY 1 HA3 GLY 1 27.462 -10.301 -0.408 6 H SER 2 H SER 2 27.592 -9.713 2.730 7 HA SER 2 HA SER 2 25.158 -8.611 3.558 8 1HB SER 2 HB2 SER 2 27.962 -7.722 4.309 9 2HB SER 2 HB3 SER 2 26.484 -7.426 5.246 10 HG SER 2 HG SER 2 27.625 -9.247 6.029 11 H HIS 3 H HIS 3 27.386 -7.207 1.279 12 HA HIS 3 HA HIS 3 26.532 -4.457 1.496 13 1HB HIS 3 HB2 HIS 3 27.890 -4.132 -0.471 14 2HB HIS 3 HB3 HIS 3 28.740 -5.137 0.690 15 HD2 HIS 3 HD2 HIS 3 27.769 -5.031 -2.904 16 HE1 HIS 3 HE1 HIS 3 28.814 -9.104 -2.222 17 HE2 HIS 3 HE2 HIS 3 28.313 -7.368 -4.008 18 H MET 4 H MET 4 24.739 -7.037 0.432 19 HA MET 4 HA MET 4 22.845 -7.344 -0.732 20 1HB MET 4 HB2 MET 4 22.574 -4.329 -0.867 21 2HB MET 4 HB3 MET 4 21.307 -5.522 -1.170 22 1HG MET 4 HG2 MET 4 21.591 -6.356 1.175 23 2HG MET 4 HG3 MET 4 22.720 -5.024 1.467 24 1HE MET 4 HE1 MET 4 19.601 -3.875 3.494 25 2HE MET 4 HE2 MET 4 20.206 -5.533 3.292 26 3HE MET 4 HE3 MET 4 21.349 -4.185 3.522 27 H LEU 5 H LEU 5 21.600 -6.428 -2.906 28 HA LEU 5 HA LEU 5 23.137 -7.870 -4.787 29 1HB LEU 5 HB2 LEU 5 20.623 -6.199 -5.244 30 2HB LEU 5 HB3 LEU 5 21.319 -7.353 -6.364 31 HG LEU 5 HG LEU 5 21.018 -9.128 -4.489 32 1HD1 LEU 5 1HD1 LEU 5 20.375 -7.791 -2.559 33 2HD1 LEU 5 2HD1 LEU 5 19.099 -6.963 -3.498 34 3HD1 LEU 5 3HD1 LEU 5 18.960 -8.678 -3.088 35 1HD2 LEU 5 1HD2 LEU 5 18.610 -7.865 -5.873 36 2HD2 LEU 5 2HD2 LEU 5 19.732 -9.040 -6.590 37 3HD2 LEU 5 3HD2 LEU 5 18.700 -9.527 -5.241 38 H LEU 6 H LEU 6 22.462 -4.401 -4.663 39 HA LEU 6 HA LEU 6 24.914 -3.798 -6.207 40 1HB LEU 6 HB2 LEU 6 23.030 -4.015 -7.844 41 2HB LEU 6 HB3 LEU 6 22.140 -2.783 -6.955 42 HG LEU 6 HG LEU 6 23.890 -1.106 -7.537 43 1HD1 LEU 6 1HD1 LEU 6 25.093 -3.382 -9.176 44 2HD1 LEU 6 2HD1 LEU 6 25.550 -1.666 -9.303 45 3HD1 LEU 6 3HD1 LEU 6 25.861 -2.549 -7.805 46 1HD2 LEU 6 1HD2 LEU 6 21.913 -1.392 -8.964 47 2HD2 LEU 6 2HD2 LEU 6 23.330 -0.944 -9.920 48 3HD2 LEU 6 3HD2 LEU 6 22.765 -2.632 -9.912 49 H GLU 7 H GLU 7 22.251 -2.640 -4.131 50 HA GLU 7 HA GLU 7 23.996 -0.510 -2.966 51 1HB GLU 7 HB2 GLU 7 21.166 -0.082 -4.014 52 2HB GLU 7 HB3 GLU 7 22.022 1.023 -2.938 53 1HG GLU 7 HG2 GLU 7 23.778 1.344 -4.649 54 2HG GLU 7 HG3 GLU 7 22.884 0.286 -5.756 55 H PHE 8 H PHE 8 23.439 0.129 -0.878 56 HA PHE 8 HA PHE 8 22.291 -1.787 0.868 57 1HB PHE 8 HB2 PHE 8 22.593 -0.110 2.601 58 2HB PHE 8 HB3 PHE 8 23.982 -0.156 1.538 59 HD1 PHE 8 HD1 PHE 8 20.965 1.803 2.517 60 HD2 PHE 8 HD2 PHE 8 24.619 1.801 0.219 61 HE1 PHE 8 HE1 PHE 8 20.752 4.253 2.165 62 HE2 PHE 8 HE2 PHE 8 24.402 4.256 -0.120 63 HZ PHE 8 HZ PHE 8 22.464 5.476 0.851 64 H LYS 9 H LYS 9 20.623 0.528 -1.037 65 HA LYS 9 HA LYS 9 18.397 1.126 0.687 66 1HB LYS 9 HB2 LYS 9 18.665 1.336 -2.331 67 2HB LYS 9 HB3 LYS 9 17.452 2.139 -1.337 68 1HG LYS 9 HG2 LYS 9 19.223 3.461 -0.217 69 2HG LYS 9 HG3 LYS 9 20.458 2.655 -1.209 70 1HD LYS 9 HD2 LYS 9 19.334 3.528 -3.275 71 2HD LYS 9 HD3 LYS 9 18.146 4.346 -2.260 72 1HE LYS 9 HE2 LYS 9 19.762 5.971 -2.952 73 2HE LYS 9 HE3 LYS 9 19.988 5.677 -1.222 74 1HZ LYS 9 HZ1 LYS 9 21.622 4.449 -3.364 75 2HZ LYS 9 HZ2 LYS 9 22.060 5.776 -2.501 76 3HZ LYS 9 HZ3 LYS 9 21.903 4.332 -1.741 77 H GLN 10 H GLN 10 18.974 -1.524 -1.504 78 HA GLN 10 HA GLN 10 16.411 -1.504 -2.677 79 1HB GLN 10 HB2 GLN 10 18.299 -3.874 -2.776 80 2HB GLN 10 HB3 GLN 10 17.074 -3.450 -3.980 81 1HG GLN 10 HG2 GLN 10 18.388 -1.382 -4.544 82 2HG GLN 10 HG3 GLN 10 19.534 -1.876 -3.288 83 1HE2 GLN 10 2HE2 GLN 10 18.462 -2.618 -6.528 84 2HE2 GLN 10 1HE2 GLN 10 19.864 -3.650 -6.832 85 H PHE 11 H PHE 11 17.523 -3.204 0.079 86 HA PHE 11 HA PHE 11 15.696 -5.261 0.090 87 1HB PHE 11 HB2 PHE 11 16.005 -5.496 2.446 88 2HB PHE 11 HB3 PHE 11 17.536 -5.033 1.739 89 HD1 PHE 11 HD2 PHE 11 17.606 -2.137 1.634 90 HD2 PHE 11 HD1 PHE 11 15.900 -4.716 4.642 91 HE1 PHE 11 HE2 PHE 11 17.836 -0.355 3.256 92 HE2 PHE 11 HE1 PHE 11 16.239 -2.938 6.334 93 HZ PHE 11 HZ PHE 11 17.210 -0.737 5.659 94 H LEU 12 H LEU 12 15.225 -1.824 0.739 95 HA LEU 12 HA LEU 12 12.597 -2.171 1.862 96 1HB LEU 12 HB2 LEU 12 14.517 -0.020 1.736 97 2HB LEU 12 HB3 LEU 12 12.967 0.537 1.142 98 HG LEU 12 HG LEU 12 12.050 -0.864 3.305 99 1HD1 LEU 12 1HD1 LEU 12 13.605 -0.693 5.153 100 2HD1 LEU 12 2HD1 LEU 12 14.364 -1.623 3.828 101 3HD1 LEU 12 3HD1 LEU 12 14.819 0.072 4.093 102 1HD2 LEU 12 1HD2 LEU 12 11.520 1.318 2.742 103 2HD2 LEU 12 2HD2 LEU 12 12.027 1.279 4.452 104 3HD2 LEU 12 3HD2 LEU 12 13.162 1.914 3.213 105 H TYR 13 H TYR 13 13.898 -1.466 -1.171 106 HA TYR 13 HA TYR 13 11.641 -0.282 -2.439 107 1HB TYR 13 HB2 TYR 13 14.248 -1.519 -3.399 108 2HB TYR 13 HB3 TYR 13 13.068 -0.898 -4.507 109 HD1 TYR 13 HD2 TYR 13 14.293 0.424 -1.123 110 HD2 TYR 13 HD1 TYR 13 13.786 1.198 -5.346 111 HE1 TYR 13 HE2 TYR 13 14.648 2.704 -0.684 112 HE2 TYR 13 HE1 TYR 13 14.379 3.584 -4.920 113 HH TYR 13 HH TYR 13 14.961 5.155 -3.338 114 H GLU 14 H GLU 14 12.637 -3.655 -1.910 115 HA GLU 14 HA GLU 14 10.297 -4.875 -3.226 116 1HB GLU 14 HB2 GLU 14 12.434 -6.087 -2.885 117 2HB GLU 14 HB3 GLU 14 12.167 -6.035 -1.131 118 1HG GLU 14 HG2 GLU 14 10.131 -7.380 -1.382 119 2HG GLU 14 HG3 GLU 14 10.281 -7.319 -3.145 120 H ALA 15 H ALA 15 11.257 -4.125 0.118 121 HA ALA 15 HA ALA 15 9.167 -4.985 1.681 122 1HB ALA 15 HB1 ALA 15 9.748 -3.236 3.239 123 2HB ALA 15 HB2 ALA 15 11.253 -3.708 2.409 124 3HB ALA 15 HB3 ALA 15 10.379 -2.210 1.953 125 H SER 16 H SER 16 9.262 -2.130 -0.251 126 HA SER 16 HA SER 16 7.247 -0.504 0.555 127 1HB SER 16 HB2 SER 16 8.974 -1.073 -1.721 128 2HB SER 16 HB3 SER 16 7.421 -0.545 -2.330 129 HG SER 16 HG SER 16 8.119 1.403 -1.926 130 H ILE 17 H ILE 17 6.972 -3.422 -1.266 131 HA ILE 17 HA ILE 17 4.027 -3.218 -1.810 132 HB ILE 17 HB ILE 17 6.457 -3.384 -3.483 133 1HG1 ILE 17 2HG1 ILE 17 5.225 -2.392 -5.154 134 2HG1 ILE 17 3HG1 ILE 17 3.691 -2.956 -4.599 135 1HG2 ILE 17 1HG2 ILE 17 5.770 -4.801 -5.263 136 2HG2 ILE 17 2HG2 ILE 17 5.964 -5.737 -3.785 137 3HG2 ILE 17 3HG2 ILE 17 4.329 -5.339 -4.381 138 1HD1 ILE 17 1HD1 ILE 17 4.035 -0.493 -4.233 139 2HD1 ILE 17 2HD1 ILE 17 3.700 -1.329 -2.733 140 3HD1 ILE 17 3HD1 ILE 17 5.371 -0.894 -3.170 141 H ASP 18 H ASP 18 5.823 -4.612 0.271 142 HA ASP 18 HA ASP 18 5.101 -7.472 -0.118 143 1HB ASP 18 HB2 ASP 18 7.454 -6.750 0.334 144 2HB ASP 18 HB3 ASP 18 6.943 -6.172 1.914 145 H GLU 19 H GLU 19 3.786 -4.836 1.452 146 HA GLU 19 HA GLU 19 2.209 -6.541 3.384 147 1HB GLU 19 HB2 GLU 19 3.370 -3.799 3.983 148 2HB GLU 19 HB3 GLU 19 2.224 -4.683 4.999 149 1HG GLU 19 HG2 GLU 19 3.888 -6.523 5.221 150 2HG GLU 19 HG3 GLU 19 5.046 -5.585 4.266 151 H PHE 20 H PHE 20 2.160 -3.124 2.242 152 HA PHE 20 HA PHE 20 -0.619 -2.738 2.486 153 1HB PHE 20 HB2 PHE 20 1.341 -1.528 0.469 154 2HB PHE 20 HB3 PHE 20 -0.291 -0.908 0.797 155 HD1 PHE 20 HD2 PHE 20 3.118 -1.401 2.271 156 HD2 PHE 20 HD1 PHE 20 -0.683 0.622 2.527 157 HE1 PHE 20 HE2 PHE 20 4.000 0.016 4.055 158 HE2 PHE 20 HE1 PHE 20 0.232 2.119 4.265 159 HZ PHE 20 HZ PHE 20 2.565 1.759 5.115 160 H MET 21 H MET 21 1.179 -3.793 -0.372 161 HA MET 21 HA MET 21 -0.885 -3.598 -2.310 162 1HB MET 21 HB2 MET 21 1.571 -5.338 -1.936 163 2HB MET 21 HB3 MET 21 0.499 -5.773 -3.252 164 1HG MET 21 HG2 MET 21 1.724 -3.015 -2.910 165 2HG MET 21 HG3 MET 21 2.369 -4.355 -3.891 166 1HE MET 21 HE1 MET 21 -0.852 -4.605 -6.470 167 2HE MET 21 HE2 MET 21 0.292 -5.649 -5.593 168 3HE MET 21 HE3 MET 21 -1.188 -5.036 -4.793 169 H GLY 22 H GLY 22 -0.224 -6.193 -0.029 170 1HA GLY 22 HA2 GLY 22 -2.363 -7.902 -1.022 171 2HA GLY 22 HA3 GLY 22 -1.378 -8.177 0.461 172 H LYS 23 H LYS 23 -2.117 -5.168 1.224 173 HA LYS 23 HA LYS 23 -4.254 -6.036 2.897 174 1HB LYS 23 HB2 LYS 23 -3.423 -4.674 4.387 175 2HB LYS 23 HB3 LYS 23 -2.011 -4.667 3.379 176 1HG LYS 23 HG2 LYS 23 -2.825 -2.651 2.299 177 2HG LYS 23 HG3 LYS 23 -4.206 -2.682 3.317 178 1HD LYS 23 HD2 LYS 23 -1.421 -2.785 4.494 179 2HD LYS 23 HD3 LYS 23 -2.154 -1.216 4.114 180 1HE LYS 23 HE2 LYS 23 -3.869 -1.544 5.761 181 2HE LYS 23 HE3 LYS 23 -3.591 -3.296 5.725 182 1HZ LYS 23 HZ1 LYS 23 -1.720 -1.318 6.892 183 2HZ LYS 23 HZ2 LYS 23 -2.741 -2.272 7.752 184 3HZ LYS 23 HZ3 LYS 23 -1.526 -2.953 6.901 185 H ILE 24 H ILE 24 -3.521 -3.798 0.232 186 HA ILE 24 HA ILE 24 -6.248 -2.885 -0.071 187 HB ILE 24 HB ILE 24 -5.178 -2.282 -2.366 188 1HG1 ILE 24 2HG1 ILE 24 -2.612 -1.929 -1.015 189 2HG1 ILE 24 3HG1 ILE 24 -3.030 -3.323 -2.043 190 1HG2 ILE 24 1HG2 ILE 24 -4.380 -0.991 0.320 191 2HG2 ILE 24 2HG2 ILE 24 -4.449 -0.183 -1.229 192 3HG2 ILE 24 3HG2 ILE 24 -5.956 -0.716 -0.477 193 1HD1 ILE 24 1HD1 ILE 24 -2.936 -0.663 -2.942 194 2HD1 ILE 24 2HD1 ILE 24 -1.942 -2.065 -3.357 195 3HD1 ILE 24 3HD1 ILE 24 -3.674 -2.072 -3.826 196 H ALA 25 H ALA 25 -4.279 -5.386 -1.749 197 HA ALA 25 HA ALA 25 -6.374 -6.036 -3.564 198 1HB ALA 25 HB1 ALA 25 -5.137 -8.148 -3.946 199 2HB ALA 25 HB2 ALA 25 -4.052 -6.749 -3.927 200 3HB ALA 25 HB3 ALA 25 -4.145 -7.829 -2.511 201 H SER 26 H SER 26 -5.881 -6.818 -0.242 202 HA SER 26 HA SER 26 -8.061 -8.778 -0.153 203 1HB SER 26 HB2 SER 26 -5.952 -9.452 0.899 204 2HB SER 26 HB3 SER 26 -6.017 -8.016 1.950 205 HG SER 26 HG SER 26 -8.093 -8.790 2.608 206 H CYS 27 H CYS 27 -8.260 -5.565 -0.223 207 HA CYS 27 HA CYS 27 -8.848 -4.907 2.367 208 1HB CYS 27 HB2 CYS 27 -9.588 -2.828 1.480 209 2HB CYS 27 HB3 CYS 27 -8.165 -3.382 0.574 210 HG CYS 27 HG CYS 27 -8.967 -3.830 -1.516 211 H GLN 28 H GLN 28 -10.894 -6.299 0.008 212 HA GLN 28 HA GLN 28 -12.919 -7.231 -0.137 213 1HB GLN 28 HB2 GLN 28 -12.972 -6.857 2.873 214 2HB GLN 28 HB3 GLN 28 -14.148 -7.827 2.002 215 1HG GLN 28 HG2 GLN 28 -12.657 -9.542 1.549 216 2HG GLN 28 HG3 GLN 28 -11.248 -8.488 1.643 217 1HE2 GLN 28 1HE2 GLN 28 -10.367 -7.901 3.628 218 2HE2 GLN 28 2HE2 GLN 28 -10.904 -8.615 5.150 219 H THR 29 H THR 29 -12.721 -4.058 0.677 220 HA THR 29 HA THR 29 -15.571 -3.380 0.178 221 HB THR 29 HB THR 29 -15.398 -1.825 2.189 222 HG1 THR 29 HG1 THR 29 -13.227 -3.543 2.763 223 1HG2 THR 29 1HG2 THR 29 -16.200 -3.421 3.850 224 2HG2 THR 29 2HG2 THR 29 -16.841 -3.890 2.267 225 3HG2 THR 29 3HG2 THR 29 -15.472 -4.777 2.975 226 H LEU 30 H LEU 30 -15.727 -1.244 -0.646 227 HA LEU 30 HA LEU 30 -13.145 -0.225 -1.620 228 1HB LEU 30 HB2 LEU 30 -15.454 0.025 -2.897 229 2HB LEU 30 HB3 LEU 30 -15.742 1.246 -1.683 230 HG LEU 30 HG LEU 30 -13.014 1.694 -2.392 231 1HD1 LEU 30 1HD1 LEU 30 -14.475 0.849 -4.735 232 2HD1 LEU 30 2HD1 LEU 30 -13.229 2.063 -4.807 233 3HD1 LEU 30 3HD1 LEU 30 -12.826 0.509 -4.149 234 1HD2 LEU 30 1HD2 LEU 30 -14.624 3.246 -1.827 235 2HD2 LEU 30 2HD2 LEU 30 -13.720 3.648 -3.380 236 3HD2 LEU 30 3HD2 LEU 30 -15.405 2.985 -3.458 237 H GLU 31 H GLU 31 -15.649 0.340 0.697 238 HA GLU 31 HA GLU 31 -14.919 2.830 1.616 239 1HB GLU 31 HB2 GLU 31 -16.981 1.160 1.846 240 2HB GLU 31 HB3 GLU 31 -16.151 0.563 3.300 241 1HG GLU 31 HG2 GLU 31 -15.965 2.793 4.034 242 2HG GLU 31 HG3 GLU 31 -17.011 3.440 2.761 243 H GLY 32 H GLY 32 -13.836 -0.364 2.470 244 1HA GLY 32 HA2 GLY 32 -11.950 0.634 4.457 245 2HA GLY 32 HA3 GLY 32 -12.023 -1.051 3.870 246 H LEU 33 H LEU 33 -11.675 -0.311 1.052 247 HA LEU 33 HA LEU 33 -8.858 0.001 0.822 248 1HB LEU 33 HB2 LEU 33 -10.554 -0.888 -0.829 249 2HB LEU 33 HB3 LEU 33 -11.288 0.598 -1.018 250 HG LEU 33 HG LEU 33 -9.546 1.615 -2.267 251 1HD1 LEU 33 1HD1 LEU 33 -7.866 -0.811 -1.582 252 2HD1 LEU 33 2HD1 LEU 33 -7.522 0.368 -2.873 253 3HD1 LEU 33 3HD1 LEU 33 -7.549 0.909 -1.186 254 1HD2 LEU 33 1HD2 LEU 33 -9.406 0.116 -4.109 255 2HD2 LEU 33 2HD2 LEU 33 -9.672 -1.287 -3.061 256 3HD2 LEU 33 3HD2 LEU 33 -10.985 -0.119 -3.340 257 H GLU 34 H GLU 34 -11.355 2.295 0.480 258 HA GLU 34 HA GLU 34 -10.028 4.731 0.090 259 1HB GLU 34 HB2 GLU 34 -12.581 3.786 1.201 260 2HB GLU 34 HB3 GLU 34 -12.224 5.526 1.314 261 1HG GLU 34 HG2 GLU 34 -12.212 3.925 -1.328 262 2HG GLU 34 HG3 GLU 34 -13.561 4.836 -0.631 263 H GLU 35 H GLU 35 -10.674 2.917 3.019 264 HA GLU 35 HA GLU 35 -9.675 4.958 4.957 265 1HB GLU 35 HB2 GLU 35 -10.265 2.008 5.410 266 2HB GLU 35 HB3 GLU 35 -9.661 3.106 6.625 267 1HG GLU 35 HG2 GLU 35 -12.107 3.954 5.171 268 2HG GLU 35 HG3 GLU 35 -12.272 2.580 6.285 269 H LEU 36 H LEU 36 -8.527 1.903 3.567 270 HA LEU 36 HA LEU 36 -5.886 1.999 4.419 271 1HB LEU 36 HB2 LEU 36 -6.630 0.967 1.682 272 2HB LEU 36 HB3 LEU 36 -5.186 0.629 2.571 273 HG LEU 36 HG LEU 36 -7.902 -0.224 3.592 274 1HD1 LEU 36 1HD1 LEU 36 -7.296 -2.461 2.746 275 2HD1 LEU 36 2HD1 LEU 36 -7.381 -1.318 1.398 276 3HD1 LEU 36 3HD1 LEU 36 -5.813 -1.779 2.022 277 1HD2 LEU 36 1HD2 LEU 36 -6.290 -0.054 5.242 278 2HD2 LEU 36 2HD2 LEU 36 -6.426 -1.787 4.830 279 3HD2 LEU 36 3HD2 LEU 36 -5.066 -0.803 4.198 280 H GLU 37 H GLU 37 -7.441 3.545 1.562 281 HA GLU 37 HA GLU 37 -5.253 4.594 0.474 282 1HB GLU 37 HB2 GLU 37 -7.643 4.562 -0.317 283 2HB GLU 37 HB3 GLU 37 -7.927 6.091 0.411 284 1HG GLU 37 HG2 GLU 37 -5.678 5.472 -1.501 285 2HG GLU 37 HG3 GLU 37 -7.293 5.908 -2.128 286 H ALA 38 H ALA 38 -7.500 6.050 2.779 287 HA ALA 38 HA ALA 38 -6.074 8.428 3.132 288 1HB ALA 38 HB1 ALA 38 -7.387 8.613 5.294 289 2HB ALA 38 HB2 ALA 38 -8.412 8.152 3.915 290 3HB ALA 38 HB3 ALA 38 -7.894 6.934 5.100 291 H TYR 39 H TYR 39 -5.901 5.304 5.008 292 HA TYR 39 HA TYR 39 -4.037 6.208 6.864 293 1HB TYR 39 HB2 TYR 39 -4.825 4.302 7.700 294 2HB TYR 39 HB3 TYR 39 -5.211 3.684 6.101 295 HD1 TYR 39 HD1 TYR 39 -3.754 2.405 4.751 296 HD2 TYR 39 HD2 TYR 39 -2.634 3.543 8.751 297 HE1 TYR 39 HE1 TYR 39 -1.924 0.870 4.616 298 HE2 TYR 39 HE2 TYR 39 -0.785 1.866 8.680 299 HH TYR 39 HH TYR 39 0.372 0.383 7.377 300 H TYR 40 H TYR 40 -3.513 4.822 3.671 301 HA TYR 40 HA TYR 40 -0.648 4.679 3.476 302 1HB TYR 40 HB2 TYR 40 -1.971 3.740 1.728 303 2HB TYR 40 HB3 TYR 40 -2.998 5.181 1.662 304 HD1 TYR 40 HD2 TYR 40 0.742 4.723 1.057 305 HD2 TYR 40 HD1 TYR 40 -3.113 6.142 -0.314 306 HE1 TYR 40 HE2 TYR 40 1.750 5.556 -1.048 307 HE2 TYR 40 HE1 TYR 40 -2.061 7.111 -2.290 308 HH TYR 40 HH TYR 40 1.396 7.122 -2.862 309 H LYS 41 H LYS 41 -2.899 7.377 2.454 310 HA LYS 41 HA LYS 41 -0.865 9.222 1.988 311 1HB LYS 41 HB2 LYS 41 -3.653 9.776 2.876 312 2HB LYS 41 HB3 LYS 41 -2.560 10.948 2.138 313 1HG LYS 41 HG2 LYS 41 -2.758 8.395 0.585 314 2HG LYS 41 HG3 LYS 41 -4.282 9.163 0.850 315 1HD LYS 41 HD2 LYS 41 -3.355 9.888 -1.254 316 2HD LYS 41 HD3 LYS 41 -3.238 11.296 -0.161 317 1HE LYS 41 HE2 LYS 41 -0.946 10.106 0.411 318 2HE LYS 41 HE3 LYS 41 -1.123 9.347 -1.166 319 1HZ LYS 41 HZ1 LYS 41 0.145 11.360 -1.385 320 2HZ LYS 41 HZ2 LYS 41 -1.283 11.558 -2.151 321 3HZ LYS 41 HZ3 LYS 41 -1.033 12.263 -0.685 322 H LYS 42 H LYS 42 -2.490 8.503 5.110 323 HA LYS 42 HA LYS 42 -1.743 10.654 6.722 324 1HB LYS 42 HB2 LYS 42 -2.705 7.810 6.968 325 2HB LYS 42 HB3 LYS 42 -2.457 8.710 8.372 326 1HG LYS 42 HG2 LYS 42 -4.221 9.735 6.154 327 2HG LYS 42 HG3 LYS 42 -4.823 8.670 7.448 328 1HD LYS 42 HD2 LYS 42 -4.388 10.420 9.100 329 2HD LYS 42 HD3 LYS 42 -3.564 11.404 7.854 330 1HE LYS 42 HE2 LYS 42 -5.714 11.146 6.468 331 2HE LYS 42 HE3 LYS 42 -6.488 10.530 7.933 332 1HZ LYS 42 HZ1 LYS 42 -5.266 13.212 7.680 333 2HZ LYS 42 HZ2 LYS 42 -6.877 12.882 7.687 334 3HZ LYS 42 HZ3 LYS 42 -5.986 12.609 9.032 335 H ARG 43 H ARG 43 -0.225 7.508 6.081 336 HA ARG 43 HA ARG 43 1.980 7.767 7.950 337 1HB ARG 43 HB2 ARG 43 1.353 5.598 7.165 338 2HB ARG 43 HB3 ARG 43 1.338 6.098 5.484 339 1HG ARG 43 HG2 ARG 43 3.827 6.393 5.547 340 2HG ARG 43 HG3 ARG 43 3.824 5.651 7.167 341 1HD ARG 43 HD2 ARG 43 3.000 3.589 6.278 342 2HD ARG 43 HD3 ARG 43 2.642 4.321 4.703 343 HE ARG 43 HE ARG 43 5.407 3.948 5.825 344 1HH1 ARG 43 1HH1 ARG 43 3.370 3.803 2.906 345 2HH1 ARG 43 2HH1 ARG 43 4.802 3.477 1.928 346 1HH2 ARG 43 1HH2 ARG 43 7.079 3.535 4.385 347 2HH2 ARG 43 2HH2 ARG 43 6.679 3.383 2.673 348 H VAL 44 H VAL 44 1.630 8.539 4.490 349 HA VAL 44 HA VAL 44 4.332 8.346 4.003 350 HB VAL 44 HB VAL 44 1.796 9.277 2.644 351 1HG1 VAL 44 1HG1 VAL 44 2.882 9.272 0.478 352 2HG1 VAL 44 2HG1 VAL 44 3.270 10.693 1.485 353 3HG1 VAL 44 3HG1 VAL 44 4.482 9.390 1.304 354 1HG2 VAL 44 1HG2 VAL 44 2.394 6.967 3.250 355 2HG2 VAL 44 2HG2 VAL 44 2.272 7.172 1.483 356 3HG2 VAL 44 3HG2 VAL 44 3.859 7.079 2.341 357 H LYS 45 H LYS 45 2.715 11.096 5.088 358 HA LYS 45 HA LYS 45 4.821 12.980 4.566 359 1HB LYS 45 HB2 LYS 45 3.342 14.462 5.827 360 2HB LYS 45 HB3 LYS 45 2.405 13.369 4.804 361 1HG LYS 45 HG2 LYS 45 2.298 11.804 6.899 362 2HG LYS 45 HG3 LYS 45 2.929 13.223 7.765 363 1HD LYS 45 HD2 LYS 45 0.600 13.248 8.138 364 2HD LYS 45 HD3 LYS 45 0.882 14.529 6.947 365 1HE LYS 45 HE2 LYS 45 0.428 11.733 5.936 366 2HE LYS 45 HE3 LYS 45 -0.971 12.513 6.714 367 1HZ LYS 45 HZ1 LYS 45 0.477 13.681 4.410 368 2HZ LYS 45 HZ2 LYS 45 -0.956 12.900 4.339 369 3HZ LYS 45 HZ3 LYS 45 -0.840 14.317 5.164 370 H GLU 46 H GLU 46 4.106 10.726 7.015 371 HA GLU 46 HA GLU 46 5.520 11.775 9.371 372 1HB GLU 46 HB2 GLU 46 3.213 10.718 9.234 373 2HB GLU 46 HB3 GLU 46 4.110 9.193 9.091 374 1HG GLU 46 HG2 GLU 46 3.456 9.672 11.353 375 2HG GLU 46 HG3 GLU 46 5.191 9.519 11.159 376 H THR 47 H THR 47 6.161 9.905 6.677 377 HA THR 47 HA THR 47 8.785 9.144 7.676 378 HB THR 47 HB THR 47 7.436 7.324 8.601 379 HG1 THR 47 HG1 THR 47 9.339 6.558 8.238 380 1HG2 THR 47 1HG2 THR 47 6.405 5.637 7.137 381 2HG2 THR 47 2HG2 THR 47 5.613 7.211 7.111 382 3HG2 THR 47 3HG2 THR 47 6.638 6.733 5.742 383 H GLU 48 H GLU 48 9.021 7.018 5.502 384 HA GLU 48 HA GLU 48 9.962 8.945 3.504 385 1HB GLU 48 HB2 GLU 48 11.519 6.711 4.712 386 2HB GLU 48 HB3 GLU 48 12.117 7.950 3.584 387 1HG GLU 48 HG2 GLU 48 11.377 9.681 5.265 388 2HG GLU 48 HG3 GLU 48 11.132 8.366 6.419 389 H LEU 49 H LEU 49 7.763 7.528 2.996 390 HA LEU 49 HA LEU 49 8.102 5.374 1.146 391 1HB LEU 49 HB2 LEU 49 5.918 5.630 1.594 392 2HB LEU 49 HB3 LEU 49 6.022 7.286 1.872 393 HG LEU 49 HG LEU 49 4.539 7.377 0.351 394 1HD1 LEU 49 1HD1 LEU 49 6.673 7.482 -1.717 395 2HD1 LEU 49 2HD1 LEU 49 5.122 8.326 -1.631 396 3HD1 LEU 49 3HD1 LEU 49 6.403 8.749 -0.469 397 1HD2 LEU 49 1HD2 LEU 49 5.580 5.226 -1.370 398 2HD2 LEU 49 2HD2 LEU 49 4.455 4.992 0.006 399 3HD2 LEU 49 3HD2 LEU 49 3.985 6.004 -1.337 400 H LYS 50 H LYS 50 8.531 5.340 -0.820 401 HA LYS 50 HA LYS 50 9.888 7.621 -2.183 402 1HB LYS 50 HB2 LYS 50 11.501 6.115 -3.108 403 2HB LYS 50 HB3 LYS 50 11.567 5.934 -1.396 404 1HG LYS 50 HG2 LYS 50 9.732 3.953 -2.488 405 2HG LYS 50 HG3 LYS 50 11.291 3.935 -3.325 406 1HD LYS 50 HD2 LYS 50 11.417 2.432 -1.390 407 2HD LYS 50 HD3 LYS 50 12.475 3.862 -1.262 408 1HE LYS 50 HE2 LYS 50 10.551 4.943 0.041 409 2HE LYS 50 HE3 LYS 50 9.906 3.303 0.253 410 1HZ LYS 50 HZ1 LYS 50 11.298 3.970 2.100 411 2HZ LYS 50 HZ2 LYS 50 12.058 2.754 1.291 412 3HZ LYS 50 HZ3 LYS 50 12.556 4.310 1.114 413 H ASP 51 H ASP 51 10.076 6.978 -4.606 414 HA ASP 51 HA ASP 51 7.432 7.025 -5.712 415 1HB ASP 51 HB2 ASP 51 10.018 6.203 -7.080 416 2HB ASP 51 HB3 ASP 51 8.535 6.743 -7.884 417 H THR 52 H THR 52 9.738 4.411 -5.245 418 HA THR 52 HA THR 52 8.499 2.310 -6.592 419 HB THR 52 HB THR 52 9.967 2.328 -3.961 420 HG1 THR 52 HG1 THR 52 11.862 2.186 -5.154 421 1HG2 THR 52 1HG2 THR 52 10.985 0.123 -4.791 422 2HG2 THR 52 2HG2 THR 52 9.291 0.068 -4.292 423 3HG2 THR 52 3HG2 THR 52 9.716 0.112 -6.027 424 H ASP 53 H ASP 53 7.846 3.253 -3.061 425 HA ASP 53 HA ASP 53 5.861 1.088 -2.987 426 1HB ASP 53 HB2 ASP 53 4.842 2.813 -1.106 427 2HB ASP 53 HB3 ASP 53 5.809 1.396 -0.786 428 H ASP 54 H ASP 54 5.963 4.542 -3.543 429 HA ASP 54 HA ASP 54 3.269 4.942 -3.073 430 1HB ASP 54 HB2 ASP 54 5.248 6.533 -3.334 431 2HB ASP 54 HB3 ASP 54 5.054 6.472 -5.043 432 H ILE 55 H ILE 55 4.852 4.450 -6.187 433 HA ILE 55 HA ILE 55 2.415 5.041 -7.781 434 HB ILE 55 HB ILE 55 4.602 3.342 -8.943 435 1HG1 ILE 55 2HG1 ILE 55 5.195 6.222 -9.337 436 2HG1 ILE 55 3HG1 ILE 55 5.347 5.702 -7.695 437 1HG2 ILE 55 1HG2 ILE 55 2.918 5.589 -10.120 438 2HG2 ILE 55 2HG2 ILE 55 4.091 4.587 -10.999 439 3HG2 ILE 55 3HG2 ILE 55 2.631 3.850 -10.311 440 1HD1 ILE 55 1HD1 ILE 55 6.680 3.685 -8.423 441 2HD1 ILE 55 2HD1 ILE 55 6.568 4.257 -10.103 442 3HD1 ILE 55 3HD1 ILE 55 7.478 5.200 -8.909 443 H SER 56 H SER 56 4.204 2.238 -6.719 444 HA SER 56 HA SER 56 2.887 0.368 -8.476 445 1HB SER 56 HB2 SER 56 5.016 0.445 -6.521 446 2HB SER 56 HB3 SER 56 4.021 -1.006 -6.273 447 HG SER 56 HG SER 56 5.313 -0.174 -8.673 448 H VAL 57 H VAL 57 2.527 1.223 -5.133 449 HA VAL 57 HA VAL 57 0.371 -0.627 -4.528 450 HB VAL 57 HB VAL 57 2.221 0.466 -3.015 451 1HG1 VAL 57 1HG1 VAL 57 -0.056 2.303 -2.475 452 2HG1 VAL 57 2HG1 VAL 57 1.509 2.153 -1.609 453 3HG1 VAL 57 3HG1 VAL 57 1.528 2.732 -3.289 454 1HG2 VAL 57 1HG2 VAL 57 0.624 -1.227 -2.245 455 2HG2 VAL 57 2HG2 VAL 57 0.848 0.073 -1.055 456 3HG2 VAL 57 3HG2 VAL 57 -0.622 0.044 -2.061 457 H ARG 58 H ARG 58 0.514 3.041 -5.035 458 HA ARG 58 HA ARG 58 -2.256 3.231 -4.744 459 1HB ARG 58 HB2 ARG 58 -0.218 4.969 -5.446 460 2HB ARG 58 HB3 ARG 58 -1.251 5.103 -6.768 461 1HG ARG 58 HG2 ARG 58 -2.073 5.335 -3.831 462 2HG ARG 58 HG3 ARG 58 -1.766 6.727 -4.922 463 1HD ARG 58 HD2 ARG 58 -3.536 5.593 -6.407 464 2HD ARG 58 HD3 ARG 58 -4.005 4.677 -4.984 465 HE ARG 58 HE ARG 58 -4.456 6.774 -3.768 466 1HH1 ARG 58 1HH1 ARG 58 -4.349 7.227 -7.274 467 2HH1 ARG 58 2HH1 ARG 58 -5.233 8.731 -7.150 468 1HH2 ARG 58 1HH2 ARG 58 -5.543 8.584 -3.722 469 2HH2 ARG 58 2HH2 ARG 58 -5.946 9.463 -5.197 470 H ASP 59 H ASP 59 -0.355 2.453 -7.636 471 HA ASP 59 HA ASP 59 -2.531 2.703 -9.423 472 1HB ASP 59 HB2 ASP 59 -0.187 2.525 -10.110 473 2HB ASP 59 HB3 ASP 59 -0.139 0.829 -9.623 474 H ALA 60 H ALA 60 -1.820 0.271 -7.206 475 HA ALA 60 HA ALA 60 -3.399 -2.002 -8.138 476 1HB ALA 60 HB1 ALA 60 -2.441 -3.004 -6.065 477 2HB ALA 60 HB2 ALA 60 -1.189 -2.443 -7.233 478 3HB ALA 60 HB3 ALA 60 -1.533 -1.511 -5.775 479 H LEU 61 H LEU 61 -3.208 0.339 -5.451 480 HA LEU 61 HA LEU 61 -5.521 -0.324 -4.082 481 1HB LEU 61 HB2 LEU 61 -3.433 1.134 -3.612 482 2HB LEU 61 HB3 LEU 61 -4.153 2.386 -4.525 483 HG LEU 61 HG LEU 61 -5.630 1.125 -2.346 484 1HD1 LEU 61 1HD1 LEU 61 -4.545 2.430 -0.649 485 2HD1 LEU 61 2HD1 LEU 61 -3.342 1.469 -1.542 486 3HD1 LEU 61 3HD1 LEU 61 -3.514 3.213 -1.895 487 1HD2 LEU 61 1HD2 LEU 61 -6.853 2.827 -3.605 488 2HD2 LEU 61 2HD2 LEU 61 -6.581 3.340 -1.939 489 3HD2 LEU 61 3HD2 LEU 61 -5.578 4.005 -3.263 490 H ALA 62 H ALA 62 -4.934 2.320 -6.366 491 HA ALA 62 HA ALA 62 -7.616 2.808 -7.050 492 1HB ALA 62 HB1 ALA 62 -5.769 4.380 -7.587 493 2HB ALA 62 HB2 ALA 62 -5.185 3.252 -8.830 494 3HB ALA 62 HB3 ALA 62 -6.773 4.027 -9.006 495 H GLY 63 H GLY 63 -5.593 0.279 -7.835 496 1HA GLY 63 HA2 GLY 63 -6.385 -0.788 -10.324 497 2HA GLY 63 HA3 GLY 63 -5.597 -1.603 -9.029 498 H LYS 64 H LYS 64 -7.059 -1.422 -6.893 499 HA LYS 64 HA LYS 64 -9.348 -3.173 -7.331 500 1HB LYS 64 HB2 LYS 64 -7.501 -3.348 -5.452 501 2HB LYS 64 HB3 LYS 64 -8.546 -2.190 -4.642 502 1HG LYS 64 HG2 LYS 64 -9.647 -4.161 -3.972 503 2HG LYS 64 HG3 LYS 64 -10.423 -3.898 -5.506 504 1HD LYS 64 HD2 LYS 64 -8.682 -5.338 -6.631 505 2HD LYS 64 HD3 LYS 64 -8.030 -5.743 -5.053 506 1HE LYS 64 HE2 LYS 64 -10.907 -6.278 -5.892 507 2HE LYS 64 HE3 LYS 64 -9.596 -7.426 -6.151 508 1HZ LYS 64 HZ1 LYS 64 -10.770 -7.952 -4.176 509 2HZ LYS 64 HZ2 LYS 64 -9.265 -7.493 -3.750 510 3HZ LYS 64 HZ3 LYS 64 -10.527 -6.468 -3.514 511 H ARG 65 H ARG 65 -8.882 0.203 -6.541 512 HA ARG 65 HA ARG 65 -11.257 0.726 -5.373 513 1HB ARG 65 HB2 ARG 65 -9.205 2.139 -5.865 514 2HB ARG 65 HB3 ARG 65 -10.049 2.695 -7.286 515 1HG ARG 65 HG2 ARG 65 -11.561 4.015 -5.959 516 2HG ARG 65 HG3 ARG 65 -11.454 2.891 -4.662 517 1HD ARG 65 HD2 ARG 65 -9.256 3.528 -4.020 518 2HD ARG 65 HD3 ARG 65 -8.960 4.338 -5.554 519 HE ARG 65 HE ARG 65 -10.330 5.447 -3.202 520 1HH1 ARG 65 1HH1 ARG 65 -9.888 6.003 -6.672 521 2HH1 ARG 65 2HH1 ARG 65 -10.352 7.676 -6.500 522 1HH2 ARG 65 1HH2 ARG 65 -10.898 7.436 -3.106 523 2HH2 ARG 65 2HH2 ARG 65 -10.924 8.498 -4.526 524 H ALA 66 H ALA 66 -10.610 0.621 -8.827 525 HA ALA 66 HA ALA 66 -13.259 1.440 -9.712 526 1HB ALA 66 HB1 ALA 66 -11.347 1.412 -11.265 527 2HB ALA 66 HB2 ALA 66 -11.262 -0.376 -11.098 528 3HB ALA 66 HB3 ALA 66 -12.697 0.381 -11.811 529 H GLU 67 H GLU 67 -11.916 -1.654 -8.564 530 HA GLU 67 HA GLU 67 -13.829 -3.474 -9.777 531 1HB GLU 67 HB2 GLU 67 -12.095 -3.798 -7.336 532 2HB GLU 67 HB3 GLU 67 -12.833 -5.070 -8.309 533 1HG GLU 67 HG2 GLU 67 -10.671 -3.114 -9.280 534 2HG GLU 67 HG3 GLU 67 -10.477 -4.671 -8.515 535 H LEU 68 H LEU 68 -13.219 -1.711 -6.890 536 HA LEU 68 HA LEU 68 -15.103 -3.098 -5.179 537 1HB LEU 68 HB2 LEU 68 -12.820 -1.359 -4.895 538 2HB LEU 68 HB3 LEU 68 -14.084 -1.273 -3.637 539 HG LEU 68 HG LEU 68 -12.683 -3.816 -4.621 540 1HD1 LEU 68 1HD1 LEU 68 -11.376 -2.377 -3.584 541 2HD1 LEU 68 2HD1 LEU 68 -12.517 -2.123 -2.202 542 3HD1 LEU 68 3HD1 LEU 68 -11.794 -3.739 -2.513 543 1HD2 LEU 68 1HD2 LEU 68 -14.577 -3.051 -2.278 544 2HD2 LEU 68 2HD2 LEU 68 -15.028 -4.296 -3.475 545 3HD2 LEU 68 3HD2 LEU 68 -13.738 -4.599 -2.309 546 H GLU 69 H GLU 69 -14.811 -0.139 -6.905 547 HA GLU 69 HA GLU 69 -17.118 1.256 -6.024 548 1HB GLU 69 HB2 GLU 69 -14.916 1.314 -8.079 549 2HB GLU 69 HB3 GLU 69 -16.245 1.976 -8.550 550 1HG GLU 69 HG2 GLU 69 -16.178 3.460 -6.309 551 2HG GLU 69 HG3 GLU 69 -14.576 2.791 -6.175 552 H ASP 70 H ASP 70 -16.344 -1.042 -8.486 553 HA ASP 70 HA ASP 70 -19.064 -1.254 -9.668 554 1HB ASP 70 HB2 ASP 70 -16.452 -2.559 -10.138 555 2HB ASP 70 HB3 ASP 70 -17.768 -3.695 -10.088 556 H SER 71 H SER 71 -17.308 -2.277 -6.883 557 HA SER 71 HA SER 71 -19.507 -4.167 -6.130 558 1HB SER 71 HB2 SER 71 -17.041 -4.795 -6.100 559 2HB SER 71 HB3 SER 71 -16.937 -3.875 -4.584 560 HG SER 71 HG SER 71 -17.394 -6.120 -4.278 561 H ASP 72 H ASP 72 -19.718 -1.184 -6.008 562 HA ASP 72 HA ASP 72 -19.356 0.033 -3.604 563 1HB ASP 72 HB2 ASP 72 -19.990 1.194 -5.603 564 2HB ASP 72 HB3 ASP 72 -21.592 0.432 -5.598 565 H ASP 73 H ASP 73 -21.849 -2.295 -4.269 566 HA ASP 73 HA ASP 73 -23.478 -1.672 -1.855 567 1HB ASP 73 HB2 ASP 73 -24.559 -1.999 -4.077 568 2HB ASP 73 HB3 ASP 73 -24.005 -3.673 -3.957 569 H GLU 74 H GLU 74 -22.040 -2.274 -0.392 570 HA GLU 74 HA GLU 74 -20.515 -4.767 -0.408 571 1HB GLU 74 HB2 GLU 74 -20.709 -2.603 1.682 572 2HB GLU 74 HB3 GLU 74 -19.550 -3.951 1.711 573 1HG GLU 74 HG2 GLU 74 -18.557 -3.194 -0.383 574 2HG GLU 74 HG3 GLU 74 -19.725 -1.871 -0.501 575 H VAL 75 H VAL 75 -21.332 -6.598 0.092 576 HA VAL 75 HA VAL 75 -22.517 -8.324 0.834 577 HB VAL 75 HB VAL 75 -22.466 -6.770 3.413 578 1HG1 VAL 75 1HG1 VAL 75 -23.358 -8.753 4.601 579 2HG1 VAL 75 2HG1 VAL 75 -24.579 -7.982 3.586 580 3HG1 VAL 75 3HG1 VAL 75 -23.790 -9.483 3.043 581 1HG2 VAL 75 1HG2 VAL 75 -21.272 -9.448 2.549 582 2HG2 VAL 75 2HG2 VAL 75 -20.398 -7.895 2.614 583 3HG2 VAL 75 3HG2 VAL 75 -21.006 -8.628 4.108 584 H GLU 76 H GLU 76 -24.120 -5.523 1.928 585 HA GLU 76 HA GLU 76 -26.791 -6.322 0.920 586 1HB GLU 76 HB2 GLU 76 -27.824 -5.955 3.031 587 2HB GLU 76 HB3 GLU 76 -26.578 -7.148 3.239 588 1HG GLU 76 HG2 GLU 76 -25.069 -5.388 4.195 589 2HG GLU 76 HG3 GLU 76 -26.352 -4.184 3.975 590 H GLU 77 H GLU 77 -24.610 -3.833 2.002 591 HA GLU 77 HA GLU 77 -26.005 -1.699 0.682 592 1HB GLU 77 HB2 GLU 77 -27.286 -1.958 2.838 593 2HB GLU 77 HB3 GLU 77 -25.837 -1.487 3.710 594 1HG GLU 77 HG2 GLU 77 -25.813 0.687 2.544 595 2HG GLU 77 HG3 GLU 77 -27.197 0.195 1.553 596 H SER 78 H SER 78 -23.767 -2.307 3.376 597 HA SER 78 HA SER 78 -21.566 -0.649 2.368 598 1HB SER 78 HB2 SER 78 -21.911 1.075 4.141 599 2HB SER 78 HB3 SER 78 -23.173 1.071 2.922 600 HG SER 78 HG SER 78 -24.522 -0.069 4.358 601 H PHE 79 H PHE 79 -21.799 -3.394 3.537 602 HA PHE 79 HA PHE 79 -20.518 -3.094 6.223 603 1HB PHE 79 HB2 PHE 79 -22.947 -3.659 6.242 604 2HB PHE 79 HB3 PHE 79 -22.576 -5.148 5.393 605 HD1 PHE 79 HD1 PHE 79 -21.919 -3.221 8.539 606 HD2 PHE 79 HD2 PHE 79 -21.843 -7.085 6.628 607 HE1 PHE 79 HE1 PHE 79 -21.486 -4.302 10.728 608 HE2 PHE 79 HE2 PHE 79 -21.426 -8.169 8.822 609 HZ PHE 79 HZ PHE 79 -21.239 -6.779 10.879 Start of MODEL 5 1 1H GLY 1 H1 GLY 1 17.863 -17.159 -12.662 2 2H GLY 1 H2 GLY 1 16.309 -16.932 -12.210 3 3H GLY 1 H3 GLY 1 17.041 -18.372 -11.934 4 1HA GLY 1 HA2 GLY 1 18.582 -17.364 -10.366 5 2HA GLY 1 HA3 GLY 1 17.810 -15.802 -10.686 6 H SER 2 H SER 2 17.993 -18.152 -8.465 7 HA SER 2 HA SER 2 15.175 -17.854 -7.475 8 1HB SER 2 HB2 SER 2 16.816 -20.415 -7.591 9 2HB SER 2 HB3 SER 2 15.177 -20.249 -6.940 10 HG SER 2 HG SER 2 15.161 -21.047 -9.073 11 H HIS 3 H HIS 3 18.060 -16.848 -6.607 12 HA HIS 3 HA HIS 3 17.599 -17.129 -3.713 13 1HB HIS 3 HB2 HIS 3 18.960 -19.117 -4.334 14 2HB HIS 3 HB3 HIS 3 20.187 -18.064 -5.043 15 HD2 HIS 3 HD2 HIS 3 18.406 -18.303 -1.548 16 HE1 HIS 3 HE1 HIS 3 22.576 -17.804 -0.848 17 HE2 HIS 3 HE2 HIS 3 20.307 -18.105 0.261 18 H MET 4 H MET 4 18.287 -15.424 -2.585 19 HA MET 4 HA MET 4 18.751 -13.284 -2.086 20 1HB MET 4 HB2 MET 4 21.181 -13.749 -3.855 21 2HB MET 4 HB3 MET 4 20.970 -12.344 -2.817 22 1HG MET 4 HG2 MET 4 21.022 -15.212 -1.840 23 2HG MET 4 HG3 MET 4 22.387 -14.095 -1.825 24 1HE MET 4 HE1 MET 4 21.458 -15.706 0.730 25 2HE MET 4 HE2 MET 4 22.814 -14.554 0.720 26 3HE MET 4 HE3 MET 4 21.565 -14.439 1.979 27 H LEU 5 H LEU 5 19.189 -11.024 -2.784 28 HA LEU 5 HA LEU 5 17.266 -10.303 -4.869 29 1HB LEU 5 HB2 LEU 5 19.019 -8.580 -3.051 30 2HB LEU 5 HB3 LEU 5 17.791 -7.998 -4.161 31 HG LEU 5 HG LEU 5 16.165 -9.608 -2.830 32 1HD1 LEU 5 1HD1 LEU 5 18.335 -9.033 -0.763 33 2HD1 LEU 5 2HD1 LEU 5 16.690 -9.591 -0.392 34 3HD1 LEU 5 3HD1 LEU 5 17.766 -10.637 -1.294 35 1HD2 LEU 5 1HD2 LEU 5 15.916 -7.180 -2.960 36 2HD2 LEU 5 2HD2 LEU 5 15.635 -7.715 -1.302 37 3HD2 LEU 5 3HD2 LEU 5 17.189 -6.951 -1.734 38 H LEU 6 H LEU 6 20.651 -10.786 -4.794 39 HA LEU 6 HA LEU 6 22.407 -10.445 -6.121 40 1HB LEU 6 HB2 LEU 6 20.464 -9.937 -8.381 41 2HB LEU 6 HB3 LEU 6 22.156 -10.403 -8.524 42 HG LEU 6 HG LEU 6 19.932 -12.147 -7.364 43 1HD1 LEU 6 1HD1 LEU 6 21.504 -12.357 -9.959 44 2HD1 LEU 6 2HD1 LEU 6 20.258 -13.485 -9.376 45 3HD1 LEU 6 3HD1 LEU 6 19.815 -11.827 -9.810 46 1HD2 LEU 6 1HD2 LEU 6 22.094 -12.690 -6.300 47 2HD2 LEU 6 2HD2 LEU 6 21.605 -13.962 -7.418 48 3HD2 LEU 6 3HD2 LEU 6 22.866 -12.800 -7.896 49 H GLU 7 H GLU 7 20.663 -7.926 -5.191 50 HA GLU 7 HA GLU 7 22.884 -6.053 -5.539 51 1HB GLU 7 HB2 GLU 7 21.607 -5.614 -7.599 52 2HB GLU 7 HB3 GLU 7 20.141 -5.354 -6.646 53 1HG GLU 7 HG2 GLU 7 21.133 -3.368 -5.602 54 2HG GLU 7 HG3 GLU 7 22.686 -3.695 -6.392 55 H PHE 8 H PHE 8 23.181 -5.437 -3.519 56 HA PHE 8 HA PHE 8 21.433 -5.973 -1.414 57 1HB PHE 8 HB2 PHE 8 23.682 -3.920 -1.428 58 2HB PHE 8 HB3 PHE 8 22.996 -4.700 -0.013 59 HD1 PHE 8 HD2 PHE 8 23.106 -7.329 0.072 60 HD2 PHE 8 HD1 PHE 8 25.589 -4.884 -2.475 61 HE1 PHE 8 HE2 PHE 8 24.743 -9.179 -0.121 62 HE2 PHE 8 HE1 PHE 8 27.210 -6.750 -2.674 63 HZ PHE 8 HZ PHE 8 26.795 -8.902 -1.495 64 H LYS 9 H LYS 9 21.675 -2.996 -3.253 65 HA LYS 9 HA LYS 9 20.375 -1.146 -1.576 66 1HB LYS 9 HB2 LYS 9 20.464 -1.296 -4.622 67 2HB LYS 9 HB3 LYS 9 19.915 0.103 -3.689 68 1HG LYS 9 HG2 LYS 9 22.144 0.259 -2.604 69 2HG LYS 9 HG3 LYS 9 22.726 -1.080 -3.601 70 1HD LYS 9 HD2 LYS 9 22.254 0.213 -5.657 71 2HD LYS 9 HD3 LYS 9 21.620 1.559 -4.675 72 1HE LYS 9 HE2 LYS 9 23.840 1.784 -3.586 73 2HE LYS 9 HE3 LYS 9 24.463 0.454 -4.577 74 1HZ LYS 9 HZ1 LYS 9 23.472 3.031 -5.616 75 2HZ LYS 9 HZ2 LYS 9 25.040 2.566 -5.512 76 3HZ LYS 9 HZ3 LYS 9 24.020 1.786 -6.533 77 H GLN 10 H GLN 10 18.791 -3.740 -3.296 78 HA GLN 10 HA GLN 10 16.284 -2.277 -3.672 79 1HB GLN 10 HB2 GLN 10 16.753 -5.248 -4.068 80 2HB GLN 10 HB3 GLN 10 15.447 -4.267 -4.789 81 1HG GLN 10 HG2 GLN 10 17.248 -2.968 -6.030 82 2HG GLN 10 HG3 GLN 10 18.396 -4.130 -5.341 83 1HE2 GLN 10 2HE2 GLN 10 18.475 -3.894 -7.975 84 2HE2 GLN 10 1HE2 GLN 10 17.621 -5.220 -8.786 85 H PHE 11 H PHE 11 17.582 -3.946 -1.065 86 HA PHE 11 HA PHE 11 15.381 -5.363 -0.246 87 1HB PHE 11 HB2 PHE 11 16.279 -5.294 1.946 88 2HB PHE 11 HB3 PHE 11 17.677 -5.091 0.838 89 HD1 PHE 11 HD2 PHE 11 18.371 -2.559 0.364 90 HD2 PHE 11 HD1 PHE 11 16.236 -3.921 3.851 91 HE1 PHE 11 HE2 PHE 11 19.116 -0.575 1.568 92 HE2 PHE 11 HE1 PHE 11 16.996 -1.906 5.074 93 HZ PHE 11 HZ PHE 11 18.458 -0.232 3.960 94 H LEU 12 H LEU 12 15.956 -1.949 -0.179 95 HA LEU 12 HA LEU 12 13.682 -1.407 1.456 96 1HB LEU 12 HB2 LEU 12 14.301 0.429 1.987 97 2HB LEU 12 HB3 LEU 12 15.796 -0.394 1.996 98 HG LEU 12 HG LEU 12 16.244 1.827 1.396 99 1HD1 LEU 12 1HD1 LEU 12 15.949 0.261 -1.154 100 2HD1 LEU 12 2HD1 LEU 12 17.088 1.613 -0.875 101 3HD1 LEU 12 3HD1 LEU 12 17.256 0.087 0.032 102 1HD2 LEU 12 1HD2 LEU 12 15.077 3.148 -0.242 103 2HD2 LEU 12 2HD2 LEU 12 14.079 1.771 -0.726 104 3HD2 LEU 12 3HD2 LEU 12 13.897 2.466 0.899 105 H TYR 13 H TYR 13 14.304 -1.434 -1.678 106 HA TYR 13 HA TYR 13 11.852 -0.084 -2.611 107 1HB TYR 13 HB2 TYR 13 14.142 -1.564 -3.999 108 2HB TYR 13 HB3 TYR 13 12.857 -0.781 -4.871 109 HD1 TYR 13 HD1 TYR 13 12.367 1.739 -3.534 110 HD2 TYR 13 HD2 TYR 13 16.146 -0.229 -4.181 111 HE1 TYR 13 HE1 TYR 13 13.527 3.809 -2.928 112 HE2 TYR 13 HE2 TYR 13 17.308 1.893 -3.706 113 HH TYR 13 HH TYR 13 17.106 4.087 -3.094 114 H GLU 14 H GLU 14 12.904 -3.420 -2.050 115 HA GLU 14 HA GLU 14 10.416 -4.662 -2.965 116 1HB GLU 14 HB2 GLU 14 12.616 -5.831 -2.791 117 2HB GLU 14 HB3 GLU 14 12.507 -5.712 -1.022 118 1HG GLU 14 HG2 GLU 14 10.448 -7.084 -1.065 119 2HG GLU 14 HG3 GLU 14 10.499 -7.120 -2.841 120 H ALA 15 H ALA 15 11.697 -3.545 0.118 121 HA ALA 15 HA ALA 15 9.957 -4.091 2.118 122 1HB ALA 15 HB1 ALA 15 10.520 -1.802 2.924 123 2HB ALA 15 HB2 ALA 15 11.951 -2.516 2.130 124 3HB ALA 15 HB3 ALA 15 10.921 -1.337 1.263 125 H SER 16 H SER 16 9.418 -1.792 -0.437 126 HA SER 16 HA SER 16 7.469 -0.103 0.451 127 1HB SER 16 HB2 SER 16 8.513 -1.237 -2.120 128 2HB SER 16 HB3 SER 16 7.053 -0.243 -2.245 129 HG SER 16 HG SER 16 8.458 1.264 -2.404 130 H ILE 17 H ILE 17 7.065 -3.289 -0.867 131 HA ILE 17 HA ILE 17 4.095 -3.123 -1.263 132 HB ILE 17 HB ILE 17 6.497 -3.506 -2.977 133 1HG1 ILE 17 2HG1 ILE 17 5.482 -2.406 -4.617 134 2HG1 ILE 17 3HG1 ILE 17 3.922 -3.114 -4.381 135 1HG2 ILE 17 1HG2 ILE 17 5.665 -5.009 -4.639 136 2HG2 ILE 17 2HG2 ILE 17 5.941 -5.820 -3.096 137 3HG2 ILE 17 3HG2 ILE 17 4.284 -5.442 -3.613 138 1HD1 ILE 17 1HD1 ILE 17 3.432 -1.524 -2.537 139 2HD1 ILE 17 2HD1 ILE 17 5.080 -0.869 -2.691 140 3HD1 ILE 17 3HD1 ILE 17 3.920 -0.677 -3.996 141 H ASP 18 H ASP 18 6.074 -4.435 0.778 142 HA ASP 18 HA ASP 18 5.931 -7.300 0.425 143 1HB ASP 18 HB2 ASP 18 7.784 -6.099 1.551 144 2HB ASP 18 HB3 ASP 18 6.691 -5.624 2.850 145 H GLU 19 H GLU 19 3.998 -5.034 2.216 146 HA GLU 19 HA GLU 19 2.016 -7.207 2.897 147 1HB GLU 19 HB2 GLU 19 2.829 -4.942 4.744 148 2HB GLU 19 HB3 GLU 19 1.496 -6.063 5.001 149 1HG GLU 19 HG2 GLU 19 3.109 -7.965 5.011 150 2HG GLU 19 HG3 GLU 19 4.446 -6.801 4.861 151 H PHE 20 H PHE 20 2.442 -3.723 2.374 152 HA PHE 20 HA PHE 20 -0.172 -2.792 2.564 153 1HB PHE 20 HB2 PHE 20 2.349 -1.811 2.018 154 2HB PHE 20 HB3 PHE 20 1.686 -1.721 0.402 155 HD1 PHE 20 HD2 PHE 20 -1.049 -0.789 0.685 156 HD2 PHE 20 HD1 PHE 20 2.465 0.277 2.965 157 HE1 PHE 20 HE2 PHE 20 -2.014 1.413 1.131 158 HE2 PHE 20 HE1 PHE 20 1.479 2.495 3.427 159 HZ PHE 20 HZ PHE 20 -0.746 3.077 2.525 160 H MET 21 H MET 21 1.410 -3.902 -0.408 161 HA MET 21 HA MET 21 -0.745 -3.635 -2.277 162 1HB MET 21 HB2 MET 21 1.690 -5.409 -1.991 163 2HB MET 21 HB3 MET 21 0.526 -5.830 -3.230 164 1HG MET 21 HG2 MET 21 1.763 -3.066 -2.949 165 2HG MET 21 HG3 MET 21 2.380 -4.388 -3.986 166 1HE MET 21 HE1 MET 21 -1.246 -5.075 -4.702 167 2HE MET 21 HE2 MET 21 -0.971 -4.673 -6.398 168 3HE MET 21 HE3 MET 21 0.187 -5.719 -5.561 169 H GLY 22 H GLY 22 -0.097 -6.025 0.171 170 1HA GLY 22 HA2 GLY 22 -2.226 -7.856 -0.612 171 2HA GLY 22 HA3 GLY 22 -1.216 -7.954 0.865 172 H LYS 23 H LYS 23 -1.940 -4.917 1.390 173 HA LYS 23 HA LYS 23 -4.014 -5.666 3.167 174 1HB LYS 23 HB2 LYS 23 -3.213 -4.165 4.536 175 2HB LYS 23 HB3 LYS 23 -1.785 -4.347 3.572 176 1HG LYS 23 HG2 LYS 23 -2.402 -2.392 2.292 177 2HG LYS 23 HG3 LYS 23 -3.809 -2.204 3.248 178 1HD LYS 23 HD2 LYS 23 -1.075 -2.426 4.523 179 2HD LYS 23 HD3 LYS 23 -1.655 -0.839 3.970 180 1HE LYS 23 HE2 LYS 23 -3.458 -0.869 5.564 181 2HE LYS 23 HE3 LYS 23 -3.302 -2.623 5.743 182 1HZ LYS 23 HZ1 LYS 23 -1.258 -2.303 6.927 183 2HZ LYS 23 HZ2 LYS 23 -1.294 -0.673 6.713 184 3HZ LYS 23 HZ3 LYS 23 -2.420 -1.414 7.647 185 H ILE 24 H ILE 24 -3.314 -3.618 0.364 186 HA ILE 24 HA ILE 24 -6.064 -2.797 -0.017 187 HB ILE 24 HB ILE 24 -4.993 -2.371 -2.360 188 1HG1 ILE 24 2HG1 ILE 24 -2.509 -1.541 -1.042 189 2HG1 ILE 24 3HG1 ILE 24 -2.688 -3.165 -1.705 190 1HG2 ILE 24 1HG2 ILE 24 -5.914 -0.743 -0.560 191 2HG2 ILE 24 2HG2 ILE 24 -4.281 -0.718 0.133 192 3HG2 ILE 24 3HG2 ILE 24 -4.583 -0.141 -1.527 193 1HD1 ILE 24 1HD1 ILE 24 -1.715 -1.886 -3.286 194 2HD1 ILE 24 2HD1 ILE 24 -3.269 -2.679 -3.738 195 3HD1 ILE 24 3HD1 ILE 24 -3.229 -0.945 -3.375 196 H ALA 25 H ALA 25 -4.064 -5.404 -1.497 197 HA ALA 25 HA ALA 25 -6.139 -6.181 -3.294 198 1HB ALA 25 HB1 ALA 25 -3.850 -6.955 -3.617 199 2HB ALA 25 HB2 ALA 25 -3.933 -7.904 -2.106 200 3HB ALA 25 HB3 ALA 25 -4.949 -8.343 -3.493 201 H SER 26 H SER 26 -5.725 -6.685 0.086 202 HA SER 26 HA SER 26 -7.889 -8.636 0.313 203 1HB SER 26 HB2 SER 26 -5.783 -9.197 1.483 204 2HB SER 26 HB3 SER 26 -5.900 -7.661 2.381 205 HG SER 26 HG SER 26 -7.994 -8.385 3.046 206 H CYS 27 H CYS 27 -8.166 -5.491 -0.114 207 HA CYS 27 HA CYS 27 -8.748 -4.519 2.404 208 1HB CYS 27 HB2 CYS 27 -9.502 -2.558 1.290 209 2HB CYS 27 HB3 CYS 27 -8.060 -3.188 0.457 210 HG CYS 27 HG CYS 27 -8.822 -3.899 -1.572 211 H GLN 28 H GLN 28 -10.716 -6.173 0.135 212 HA GLN 28 HA GLN 28 -12.724 -7.126 -0.029 213 1HB GLN 28 HB2 GLN 28 -12.799 -6.660 2.967 214 2HB GLN 28 HB3 GLN 28 -13.947 -7.685 2.118 215 1HG GLN 28 HG2 GLN 28 -12.376 -9.343 1.670 216 2HG GLN 28 HG3 GLN 28 -11.003 -8.243 1.821 217 1HE2 GLN 28 1HE2 GLN 28 -10.307 -7.543 3.894 218 2HE2 GLN 28 2HE2 GLN 28 -10.833 -8.355 5.362 219 H THR 29 H THR 29 -12.664 -3.910 0.664 220 HA THR 29 HA THR 29 -15.546 -3.356 0.165 221 HB THR 29 HB THR 29 -15.448 -1.779 2.140 222 HG1 THR 29 HG1 THR 29 -13.183 -3.366 2.744 223 1HG2 THR 29 1HG2 THR 29 -15.418 -4.722 2.953 224 2HG2 THR 29 2HG2 THR 29 -16.085 -3.385 3.905 225 3HG2 THR 29 3HG2 THR 29 -16.831 -3.823 2.376 226 H LEU 30 H LEU 30 -15.775 -1.289 -0.794 227 HA LEU 30 HA LEU 30 -13.210 -0.156 -1.671 228 1HB LEU 30 HB2 LEU 30 -15.535 0.056 -2.951 229 2HB LEU 30 HB3 LEU 30 -15.833 1.262 -1.754 230 HG LEU 30 HG LEU 30 -13.114 1.756 -2.457 231 1HD1 LEU 30 1HD1 LEU 30 -13.301 2.100 -4.875 232 2HD1 LEU 30 2HD1 LEU 30 -12.885 0.556 -4.173 233 3HD1 LEU 30 3HD1 LEU 30 -14.520 0.859 -4.801 234 1HD2 LEU 30 1HD2 LEU 30 -14.782 3.277 -1.915 235 2HD2 LEU 30 2HD2 LEU 30 -13.833 3.696 -3.454 236 3HD2 LEU 30 3HD2 LEU 30 -15.510 3.004 -3.576 237 H GLU 31 H GLU 31 -15.732 0.410 0.586 238 HA GLU 31 HA GLU 31 -15.079 2.896 1.531 239 1HB GLU 31 HB2 GLU 31 -17.105 1.176 1.701 240 2HB GLU 31 HB3 GLU 31 -16.285 0.562 3.134 241 1HG GLU 31 HG2 GLU 31 -16.210 2.720 3.996 242 2HG GLU 31 HG3 GLU 31 -17.197 3.433 2.714 243 H GLY 32 H GLY 32 -13.954 -0.256 2.436 244 1HA GLY 32 HA2 GLY 32 -12.087 0.807 4.404 245 2HA GLY 32 HA3 GLY 32 -12.133 -0.894 3.854 246 H LEU 33 H LEU 33 -11.767 -0.206 1.025 247 HA LEU 33 HA LEU 33 -8.952 0.102 0.839 248 1HB LEU 33 HB2 LEU 33 -10.620 -0.812 -0.818 249 2HB LEU 33 HB3 LEU 33 -11.339 0.665 -1.064 250 HG LEU 33 HG LEU 33 -9.541 1.655 -2.268 251 1HD1 LEU 33 1HD1 LEU 33 -7.503 0.383 -2.797 252 2HD1 LEU 33 2HD1 LEU 33 -7.574 0.970 -1.128 253 3HD1 LEU 33 3HD1 LEU 33 -7.903 -0.763 -1.494 254 1HD2 LEU 33 1HD2 LEU 33 -9.352 0.147 -4.079 255 2HD2 LEU 33 2HD2 LEU 33 -9.655 -1.255 -3.046 256 3HD2 LEU 33 3HD2 LEU 33 -10.966 -0.080 -3.366 257 H GLU 34 H GLU 34 -11.473 2.387 0.415 258 HA GLU 34 HA GLU 34 -10.155 4.815 -0.006 259 1HB GLU 34 HB2 GLU 34 -12.718 3.875 1.120 260 2HB GLU 34 HB3 GLU 34 -12.393 5.632 1.183 261 1HG GLU 34 HG2 GLU 34 -12.318 3.969 -1.416 262 2HG GLU 34 HG3 GLU 34 -13.695 4.826 -0.727 263 H GLU 35 H GLU 35 -10.830 3.053 2.956 264 HA GLU 35 HA GLU 35 -9.858 5.122 4.874 265 1HB GLU 35 HB2 GLU 35 -10.453 2.181 5.345 266 2HB GLU 35 HB3 GLU 35 -9.836 3.278 6.565 267 1HG GLU 35 HG2 GLU 35 -12.302 4.080 5.090 268 2HG GLU 35 HG3 GLU 35 -12.438 2.732 6.248 269 H LEU 36 H LEU 36 -8.681 2.080 3.495 270 HA LEU 36 HA LEU 36 -6.050 2.217 4.385 271 1HB LEU 36 HB2 LEU 36 -6.739 1.116 1.676 272 2HB LEU 36 HB3 LEU 36 -5.301 0.812 2.591 273 HG LEU 36 HG LEU 36 -8.022 -0.070 3.539 274 1HD1 LEU 36 1HD1 LEU 36 -7.324 -2.292 2.770 275 2HD1 LEU 36 2HD1 LEU 36 -7.360 -1.176 1.378 276 3HD1 LEU 36 3HD1 LEU 36 -5.815 -1.611 2.117 277 1HD2 LEU 36 1HD2 LEU 36 -5.182 -0.653 4.256 278 2HD2 LEU 36 2HD2 LEU 36 -6.398 0.199 5.242 279 3HD2 LEU 36 3HD2 LEU 36 -6.603 -1.537 4.908 280 H GLU 37 H GLU 37 -7.602 3.715 1.502 281 HA GLU 37 HA GLU 37 -5.430 4.850 0.452 282 1HB GLU 37 HB2 GLU 37 -7.740 4.688 -0.450 283 2HB GLU 37 HB3 GLU 37 -8.185 6.174 0.309 284 1HG GLU 37 HG2 GLU 37 -5.793 5.802 -1.493 285 2HG GLU 37 HG3 GLU 37 -7.397 6.081 -2.213 286 H ALA 38 H ALA 38 -7.764 6.205 2.742 287 HA ALA 38 HA ALA 38 -6.404 8.635 3.054 288 1HB ALA 38 HB1 ALA 38 -7.694 8.803 5.249 289 2HB ALA 38 HB2 ALA 38 -8.732 8.299 3.903 290 3HB ALA 38 HB3 ALA 38 -8.148 7.096 5.079 291 H TYR 39 H TYR 39 -6.125 5.505 4.896 292 HA TYR 39 HA TYR 39 -4.264 6.434 6.740 293 1HB TYR 39 HB2 TYR 39 -4.945 4.430 7.515 294 2HB TYR 39 HB3 TYR 39 -5.295 3.825 5.909 295 HD1 TYR 39 HD1 TYR 39 -3.812 2.541 4.619 296 HD2 TYR 39 HD2 TYR 39 -2.592 4.073 8.448 297 HE1 TYR 39 HE1 TYR 39 -1.729 1.314 4.401 298 HE2 TYR 39 HE2 TYR 39 -0.519 2.695 8.323 299 HH TYR 39 HH TYR 39 0.765 1.308 7.016 300 H TYR 40 H TYR 40 -3.753 5.136 3.499 301 HA TYR 40 HA TYR 40 -0.915 5.015 3.235 302 1HB TYR 40 HB2 TYR 40 -2.379 4.128 1.522 303 2HB TYR 40 HB3 TYR 40 -3.311 5.596 1.487 304 HD1 TYR 40 HD1 TYR 40 0.298 4.775 0.684 305 HD2 TYR 40 HD2 TYR 40 -3.406 6.717 -0.401 306 HE1 TYR 40 HE1 TYR 40 1.274 5.497 -1.484 307 HE2 TYR 40 HE2 TYR 40 -2.395 7.529 -2.468 308 HH TYR 40 HH TYR 40 1.018 7.142 -3.204 309 H LYS 41 H LYS 41 -3.184 7.736 2.391 310 HA LYS 41 HA LYS 41 -1.161 9.655 1.933 311 1HB LYS 41 HB2 LYS 41 -3.959 10.065 2.865 312 2HB LYS 41 HB3 LYS 41 -2.916 11.324 2.190 313 1HG LYS 41 HG2 LYS 41 -3.044 8.863 0.488 314 2HG LYS 41 HG3 LYS 41 -4.585 9.582 0.796 315 1HD LYS 41 HD2 LYS 41 -3.602 10.374 -1.251 316 2HD LYS 41 HD3 LYS 41 -3.679 11.771 -0.157 317 1HE LYS 41 HE2 LYS 41 -1.266 10.118 0.120 318 2HE LYS 41 HE3 LYS 41 -1.447 10.661 -1.554 319 1HZ LYS 41 HZ1 LYS 41 -1.363 12.478 0.781 320 2HZ LYS 41 HZ2 LYS 41 -0.153 12.255 -0.308 321 3HZ LYS 41 HZ3 LYS 41 -1.562 12.935 -0.780 322 H LYS 42 H LYS 42 -2.823 8.823 5.022 323 HA LYS 42 HA LYS 42 -2.014 10.922 6.694 324 1HB LYS 42 HB2 LYS 42 -3.065 8.097 6.889 325 2HB LYS 42 HB3 LYS 42 -2.816 8.984 8.297 326 1HG LYS 42 HG2 LYS 42 -4.585 10.022 6.077 327 2HG LYS 42 HG3 LYS 42 -5.174 8.934 7.356 328 1HD LYS 42 HD2 LYS 42 -4.744 10.669 9.034 329 2HD LYS 42 HD3 LYS 42 -3.962 11.683 7.799 330 1HE LYS 42 HE2 LYS 42 -6.155 11.298 6.430 331 2HE LYS 42 HE3 LYS 42 -6.874 10.765 7.944 332 1HZ LYS 42 HZ1 LYS 42 -7.312 13.084 7.620 333 2HZ LYS 42 HZ2 LYS 42 -6.328 12.902 8.920 334 3HZ LYS 42 HZ3 LYS 42 -5.719 13.445 7.493 335 H ARG 43 H ARG 43 -0.738 7.527 6.288 336 HA ARG 43 HA ARG 43 1.450 8.071 8.138 337 1HB ARG 43 HB2 ARG 43 0.347 5.796 7.684 338 2HB ARG 43 HB3 ARG 43 1.312 5.752 6.194 339 1HG ARG 43 HG2 ARG 43 3.358 6.251 7.748 340 2HG ARG 43 HG3 ARG 43 2.261 5.901 9.094 341 1HD ARG 43 HD2 ARG 43 1.864 3.633 8.162 342 2HD ARG 43 HD3 ARG 43 2.944 4.015 6.808 343 HE ARG 43 HE ARG 43 4.029 4.303 9.558 344 1HH1 ARG 43 1HH1 ARG 43 3.960 2.203 6.715 345 2HH1 ARG 43 2HH1 ARG 43 5.373 1.325 7.258 346 1HH2 ARG 43 1HH2 ARG 43 5.788 3.110 10.157 347 2HH2 ARG 43 2HH2 ARG 43 6.361 1.813 9.140 348 H VAL 44 H VAL 44 1.271 8.114 4.492 349 HA VAL 44 HA VAL 44 3.892 7.722 4.080 350 HB VAL 44 HB VAL 44 1.549 8.946 2.684 351 1HG1 VAL 44 1HG1 VAL 44 2.650 9.243 0.604 352 2HG1 VAL 44 2HG1 VAL 44 3.033 10.474 1.817 353 3HG1 VAL 44 3HG1 VAL 44 4.252 9.201 1.426 354 1HG2 VAL 44 1HG2 VAL 44 2.022 6.561 3.024 355 2HG2 VAL 44 2HG2 VAL 44 2.084 6.946 1.285 356 3HG2 VAL 44 3HG2 VAL 44 3.579 6.730 2.268 357 H LYS 45 H LYS 45 2.535 10.755 4.910 358 HA LYS 45 HA LYS 45 4.800 12.378 4.562 359 1HB LYS 45 HB2 LYS 45 3.443 13.935 5.993 360 2HB LYS 45 HB3 LYS 45 2.446 13.043 4.795 361 1HG LYS 45 HG2 LYS 45 2.070 11.380 6.740 362 2HG LYS 45 HG3 LYS 45 2.912 12.597 7.719 363 1HD LYS 45 HD2 LYS 45 1.154 14.338 6.928 364 2HD LYS 45 HD3 LYS 45 0.198 12.904 6.424 365 1HE LYS 45 HE2 LYS 45 0.893 11.957 8.703 366 2HE LYS 45 HE3 LYS 45 1.338 13.598 9.175 367 1HZ LYS 45 HZ1 LYS 45 -0.936 14.318 8.730 368 2HZ LYS 45 HZ2 LYS 45 -1.378 12.779 8.356 369 3HZ LYS 45 HZ3 LYS 45 -0.899 13.141 9.881 370 H GLU 46 H GLU 46 3.840 10.293 7.126 371 HA GLU 46 HA GLU 46 5.404 11.180 9.368 372 1HB GLU 46 HB2 GLU 46 3.166 9.908 9.326 373 2HB GLU 46 HB3 GLU 46 4.153 8.476 8.963 374 1HG GLU 46 HG2 GLU 46 5.333 8.618 11.019 375 2HG GLU 46 HG3 GLU 46 4.591 10.205 11.277 376 H THR 47 H THR 47 5.747 9.164 6.801 377 HA THR 47 HA THR 47 7.986 7.620 7.979 378 HB THR 47 HB THR 47 5.766 6.509 8.017 379 HG1 THR 47 HG1 THR 47 7.420 5.137 8.128 380 1HG2 THR 47 1HG2 THR 47 6.060 6.048 5.034 381 2HG2 THR 47 2HG2 THR 47 4.660 5.783 6.075 382 3HG2 THR 47 3HG2 THR 47 5.193 7.437 5.707 383 H GLU 48 H GLU 48 8.141 5.908 5.499 384 HA GLU 48 HA GLU 48 9.915 7.680 3.981 385 1HB GLU 48 HB2 GLU 48 10.637 4.942 4.924 386 2HB GLU 48 HB3 GLU 48 11.707 6.115 4.134 387 1HG GLU 48 HG2 GLU 48 11.167 7.692 6.048 388 2HG GLU 48 HG3 GLU 48 10.404 6.323 6.866 389 H LEU 49 H LEU 49 7.389 6.700 3.210 390 HA LEU 49 HA LEU 49 7.625 5.038 0.878 391 1HB LEU 49 HB2 LEU 49 5.489 5.470 1.651 392 2HB LEU 49 HB3 LEU 49 5.744 7.140 1.837 393 HG LEU 49 HG LEU 49 4.199 7.159 0.297 394 1HD1 LEU 49 1HD1 LEU 49 6.456 7.350 -1.611 395 2HD1 LEU 49 2HD1 LEU 49 4.857 8.064 -1.693 396 3HD1 LEU 49 3HD1 LEU 49 5.979 8.608 -0.430 397 1HD2 LEU 49 1HD2 LEU 49 4.217 4.754 -0.079 398 2HD2 LEU 49 2HD2 LEU 49 3.777 5.784 -1.433 399 3HD2 LEU 49 3HD2 LEU 49 5.414 5.068 -1.383 400 H LYS 50 H LYS 50 8.514 5.239 -0.791 401 HA LYS 50 HA LYS 50 9.938 7.672 -1.783 402 1HB LYS 50 HB2 LYS 50 11.623 6.230 -2.635 403 2HB LYS 50 HB3 LYS 50 11.419 5.770 -1.001 404 1HG LYS 50 HG2 LYS 50 9.680 4.099 -2.644 405 2HG LYS 50 HG3 LYS 50 11.279 4.161 -3.361 406 1HD LYS 50 HD2 LYS 50 11.147 2.277 -1.796 407 2HD LYS 50 HD3 LYS 50 12.280 3.522 -1.210 408 1HE LYS 50 HE2 LYS 50 10.417 4.455 0.158 409 2HE LYS 50 HE3 LYS 50 9.450 3.024 -0.259 410 1HZ LYS 50 HZ1 LYS 50 10.413 2.588 1.778 411 2HZ LYS 50 HZ2 LYS 50 11.229 1.654 0.693 412 3HZ LYS 50 HZ3 LYS 50 11.915 3.035 1.307 413 H ASP 51 H ASP 51 10.306 7.084 -4.368 414 HA ASP 51 HA ASP 51 7.659 7.326 -5.503 415 1HB ASP 51 HB2 ASP 51 8.718 7.063 -7.661 416 2HB ASP 51 HB3 ASP 51 9.560 8.242 -6.639 417 H THR 52 H THR 52 9.787 4.562 -5.101 418 HA THR 52 HA THR 52 8.535 2.706 -6.751 419 HB THR 52 HB THR 52 9.816 2.331 -4.049 420 HG1 THR 52 HG1 THR 52 11.020 2.471 -6.614 421 1HG2 THR 52 1HG2 THR 52 9.614 0.390 -6.401 422 2HG2 THR 52 2HG2 THR 52 10.718 0.153 -5.021 423 3HG2 THR 52 3HG2 THR 52 8.975 0.161 -4.754 424 H ASP 53 H ASP 53 7.762 3.214 -3.160 425 HA ASP 53 HA ASP 53 5.834 1.052 -3.276 426 1HB ASP 53 HB2 ASP 53 4.889 2.859 -1.288 427 2HB ASP 53 HB3 ASP 53 5.635 1.314 -1.045 428 H ASP 54 H ASP 54 5.784 4.525 -3.651 429 HA ASP 54 HA ASP 54 3.049 4.918 -3.253 430 1HB ASP 54 HB2 ASP 54 5.082 6.510 -3.446 431 2HB ASP 54 HB3 ASP 54 4.862 6.463 -5.167 432 H ILE 55 H ILE 55 4.756 4.344 -6.281 433 HA ILE 55 HA ILE 55 2.338 4.731 -7.942 434 HB ILE 55 HB ILE 55 4.587 3.167 -9.131 435 1HG1 ILE 55 2HG1 ILE 55 5.391 5.938 -9.452 436 2HG1 ILE 55 3HG1 ILE 55 5.284 5.587 -7.775 437 1HG2 ILE 55 1HG2 ILE 55 2.585 3.824 -10.398 438 2HG2 ILE 55 2HG2 ILE 55 2.963 5.540 -10.125 439 3HG2 ILE 55 3HG2 ILE 55 4.060 4.515 -11.088 440 1HD1 ILE 55 1HD1 ILE 55 6.761 3.861 -9.846 441 2HD1 ILE 55 2HD1 ILE 55 7.526 4.880 -8.617 442 3HD1 ILE 55 3HD1 ILE 55 6.590 3.431 -8.135 443 H SER 56 H SER 56 4.315 1.984 -6.842 444 HA SER 56 HA SER 56 2.946 0.041 -8.400 445 1HB SER 56 HB2 SER 56 4.915 0.162 -6.217 446 2HB SER 56 HB3 SER 56 3.952 -1.327 -6.198 447 HG SER 56 HG SER 56 5.894 -1.407 -7.528 448 H VAL 57 H VAL 57 2.530 1.091 -5.107 449 HA VAL 57 HA VAL 57 0.378 -0.729 -4.419 450 HB VAL 57 HB VAL 57 2.211 0.432 -2.900 451 1HG1 VAL 57 1HG1 VAL 57 -0.157 2.194 -2.438 452 2HG1 VAL 57 2HG1 VAL 57 1.392 2.126 -1.541 453 3HG1 VAL 57 3HG1 VAL 57 1.406 2.691 -3.218 454 1HG2 VAL 57 1HG2 VAL 57 0.620 -1.296 -2.171 455 2HG2 VAL 57 2HG2 VAL 57 0.843 0.007 -0.974 456 3HG2 VAL 57 3HG2 VAL 57 -0.637 -0.033 -1.986 457 H ARG 58 H ARG 58 0.646 2.816 -5.145 458 HA ARG 58 HA ARG 58 -2.111 3.262 -4.846 459 1HB ARG 58 HB2 ARG 58 -0.464 5.032 -5.300 460 2HB ARG 58 HB3 ARG 58 -0.431 4.622 -6.989 461 1HG ARG 58 HG2 ARG 58 -1.846 6.524 -6.560 462 2HG ARG 58 HG3 ARG 58 -2.848 5.213 -7.162 463 1HD ARG 58 HD2 ARG 58 -3.640 4.767 -4.870 464 2HD ARG 58 HD3 ARG 58 -2.543 5.976 -4.225 465 HE ARG 58 HE ARG 58 -5.131 6.406 -5.477 466 1HH1 ARG 58 1HH1 ARG 58 -2.082 8.058 -4.840 467 2HH1 ARG 58 2HH1 ARG 58 -2.822 9.628 -5.021 468 1HH2 ARG 58 1HH2 ARG 58 -5.976 8.440 -5.686 469 2HH2 ARG 58 2HH2 ARG 58 -4.951 9.835 -5.486 470 H ASP 59 H ASP 59 -0.289 2.255 -7.726 471 HA ASP 59 HA ASP 59 -2.514 2.569 -9.430 472 1HB ASP 59 HB2 ASP 59 -0.184 2.331 -10.195 473 2HB ASP 59 HB3 ASP 59 -0.184 0.625 -9.727 474 H ALA 60 H ALA 60 -1.823 0.202 -7.207 475 HA ALA 60 HA ALA 60 -3.489 -2.026 -8.061 476 1HB ALA 60 HB1 ALA 60 -1.272 -2.544 -7.185 477 2HB ALA 60 HB2 ALA 60 -1.582 -1.595 -5.728 478 3HB ALA 60 HB3 ALA 60 -2.527 -3.069 -6.023 479 H LEU 61 H LEU 61 -3.214 0.317 -5.341 480 HA LEU 61 HA LEU 61 -5.542 -0.242 -3.998 481 1HB LEU 61 HB2 LEU 61 -3.443 1.059 -3.432 482 2HB LEU 61 HB3 LEU 61 -3.956 2.335 -4.473 483 HG LEU 61 HG LEU 61 -5.710 1.408 -2.334 484 1HD1 LEU 61 1HD1 LEU 61 -3.371 3.244 -1.857 485 2HD1 LEU 61 2HD1 LEU 61 -4.565 2.691 -0.639 486 3HD1 LEU 61 3HD1 LEU 61 -3.433 1.531 -1.371 487 1HD2 LEU 61 1HD2 LEU 61 -5.200 4.244 -3.230 488 2HD2 LEU 61 2HD2 LEU 61 -6.555 3.231 -3.796 489 3HD2 LEU 61 3HD2 LEU 61 -6.453 3.665 -2.110 490 H ALA 62 H ALA 62 -4.851 2.435 -6.312 491 HA ALA 62 HA ALA 62 -7.540 2.928 -6.930 492 1HB ALA 62 HB1 ALA 62 -6.690 4.165 -8.901 493 2HB ALA 62 HB2 ALA 62 -5.713 4.516 -7.458 494 3HB ALA 62 HB3 ALA 62 -5.094 3.387 -8.697 495 H GLY 63 H GLY 63 -5.523 0.419 -7.849 496 1HA GLY 63 HA2 GLY 63 -6.436 -0.644 -10.284 497 2HA GLY 63 HA3 GLY 63 -5.635 -1.477 -8.997 498 H LYS 64 H LYS 64 -7.032 -1.286 -6.853 499 HA LYS 64 HA LYS 64 -9.278 -3.077 -7.282 500 1HB LYS 64 HB2 LYS 64 -7.432 -3.362 -5.520 501 2HB LYS 64 HB3 LYS 64 -8.267 -2.099 -4.635 502 1HG LYS 64 HG2 LYS 64 -9.774 -3.662 -3.881 503 2HG LYS 64 HG3 LYS 64 -10.232 -4.023 -5.539 504 1HD LYS 64 HD2 LYS 64 -8.339 -5.628 -5.690 505 2HD LYS 64 HD3 LYS 64 -8.022 -5.367 -3.955 506 1HE LYS 64 HE2 LYS 64 -10.306 -6.118 -3.407 507 2HE LYS 64 HE3 LYS 64 -10.684 -6.313 -5.121 508 1HZ LYS 64 HZ1 LYS 64 -10.143 -8.409 -4.138 509 2HZ LYS 64 HZ2 LYS 64 -8.996 -8.034 -5.236 510 3HZ LYS 64 HZ3 LYS 64 -8.665 -7.880 -3.622 511 H ARG 65 H ARG 65 -8.879 0.284 -6.478 512 HA ARG 65 HA ARG 65 -11.293 0.777 -5.343 513 1HB ARG 65 HB2 ARG 65 -9.235 2.216 -5.810 514 2HB ARG 65 HB3 ARG 65 -10.069 2.743 -7.254 515 1HG ARG 65 HG2 ARG 65 -11.641 4.028 -6.004 516 2HG ARG 65 HG3 ARG 65 -11.530 2.947 -4.662 517 1HD ARG 65 HD2 ARG 65 -9.338 3.651 -4.034 518 2HD ARG 65 HD3 ARG 65 -9.066 4.429 -5.588 519 HE ARG 65 HE ARG 65 -10.452 5.575 -3.266 520 1HH1 ARG 65 1HH2 ARG 65 -10.062 6.055 -6.749 521 2HH1 ARG 65 2HH2 ARG 65 -10.576 7.719 -6.606 522 1HH2 ARG 65 2HH1 ARG 65 -11.109 7.537 -3.207 523 2HH2 ARG 65 1HH1 ARG 65 -11.167 8.557 -4.649 524 H ALA 66 H ALA 66 -10.515 0.701 -8.776 525 HA ALA 66 HA ALA 66 -13.136 1.446 -9.764 526 1HB ALA 66 HB1 ALA 66 -11.058 -0.321 -11.064 527 2HB ALA 66 HB2 ALA 66 -12.476 0.399 -11.851 528 3HB ALA 66 HB3 ALA 66 -11.179 1.463 -11.230 529 H GLU 67 H GLU 67 -11.803 -1.614 -8.563 530 HA GLU 67 HA GLU 67 -13.678 -3.459 -9.830 531 1HB GLU 67 HB2 GLU 67 -12.015 -3.755 -7.324 532 2HB GLU 67 HB3 GLU 67 -12.761 -5.036 -8.279 533 1HG GLU 67 HG2 GLU 67 -10.533 -3.132 -9.225 534 2HG GLU 67 HG3 GLU 67 -10.383 -4.684 -8.455 535 H LEU 68 H LEU 68 -13.160 -1.681 -6.922 536 HA LEU 68 HA LEU 68 -15.079 -3.081 -5.280 537 1HB LEU 68 HB2 LEU 68 -12.862 -1.291 -4.916 538 2HB LEU 68 HB3 LEU 68 -14.157 -1.238 -3.694 539 HG LEU 68 HG LEU 68 -12.703 -3.752 -4.650 540 1HD1 LEU 68 1HD1 LEU 68 -12.573 -2.053 -2.232 541 2HD1 LEU 68 2HD1 LEU 68 -11.808 -3.664 -2.537 542 3HD1 LEU 68 3HD1 LEU 68 -11.417 -2.265 -3.588 543 1HD2 LEU 68 1HD2 LEU 68 -13.746 -4.583 -2.406 544 2HD2 LEU 68 2HD2 LEU 68 -14.583 -3.026 -2.316 545 3HD2 LEU 68 3HD2 LEU 68 -15.037 -4.234 -3.556 546 H GLU 69 H GLU 69 -14.781 -0.113 -6.979 547 HA GLU 69 HA GLU 69 -17.138 1.241 -6.167 548 1HB GLU 69 HB2 GLU 69 -14.867 1.341 -8.151 549 2HB GLU 69 HB3 GLU 69 -16.209 1.966 -8.663 550 1HG GLU 69 HG2 GLU 69 -16.225 3.467 -6.437 551 2HG GLU 69 HG3 GLU 69 -14.623 2.819 -6.245 552 H ASP 70 H ASP 70 -16.228 -1.044 -8.635 553 HA ASP 70 HA ASP 70 -18.911 -1.298 -9.878 554 1HB ASP 70 HB2 ASP 70 -16.265 -2.611 -10.222 555 2HB ASP 70 HB3 ASP 70 -17.594 -3.711 -10.325 556 H SER 71 H SER 71 -17.241 -2.288 -7.049 557 HA SER 71 HA SER 71 -19.462 -4.157 -6.319 558 1HB SER 71 HB2 SER 71 -16.971 -4.780 -6.162 559 2HB SER 71 HB3 SER 71 -16.942 -3.814 -4.679 560 HG SER 71 HG SER 71 -17.398 -6.051 -4.324 561 H ASP 72 H ASP 72 -19.687 -1.157 -6.276 562 HA ASP 72 HA ASP 72 -19.516 0.056 -3.808 563 1HB ASP 72 HB2 ASP 72 -19.901 1.281 -5.802 564 2HB ASP 72 HB3 ASP 72 -21.491 0.534 -6.039 565 H ASP 73 H ASP 73 -21.864 -2.282 -4.757 566 HA ASP 73 HA ASP 73 -23.419 -2.141 -2.217 567 1HB ASP 73 HB2 ASP 73 -24.749 -1.244 -4.091 568 2HB ASP 73 HB3 ASP 73 -24.471 -2.769 -4.944 569 H GLU 74 H GLU 74 -23.470 -4.015 -1.146 570 HA GLU 74 HA GLU 74 -21.590 -6.040 -2.219 571 1HB GLU 74 HB2 GLU 74 -21.846 -4.855 0.561 572 2HB GLU 74 HB3 GLU 74 -20.663 -6.074 0.057 573 1HG GLU 74 HG2 GLU 74 -19.884 -4.505 -1.730 574 2HG GLU 74 HG3 GLU 74 -20.935 -3.271 -1.072 575 H VAL 75 H VAL 75 -21.323 -8.027 -1.321 576 HA VAL 75 HA VAL 75 -23.539 -9.744 -1.090 577 HB VAL 75 HB VAL 75 -20.701 -10.159 -0.066 578 1HG1 VAL 75 1HG1 VAL 75 -22.899 -12.211 -0.576 579 2HG1 VAL 75 2HG1 VAL 75 -21.182 -12.582 -0.313 580 3HG1 VAL 75 3HG1 VAL 75 -22.120 -11.845 0.984 581 1HG2 VAL 75 1HG2 VAL 75 -22.056 -10.960 -2.680 582 2HG2 VAL 75 2HG2 VAL 75 -20.809 -9.711 -2.500 583 3HG2 VAL 75 3HG2 VAL 75 -20.406 -11.399 -2.195 584 H GLU 76 H GLU 76 -24.626 -10.651 0.472 585 HA GLU 76 HA GLU 76 -25.695 -11.172 2.325 586 1HB GLU 76 HB2 GLU 76 -24.593 -12.049 4.006 587 2HB GLU 76 HB3 GLU 76 -23.271 -11.921 2.887 588 1HG GLU 76 HG2 GLU 76 -22.426 -9.926 4.044 589 2HG GLU 76 HG3 GLU 76 -23.868 -9.869 5.065 590 H GLU 77 H GLU 77 -24.039 -8.099 2.822 591 HA GLU 77 HA GLU 77 -25.976 -6.996 4.701 592 1HB GLU 77 HB2 GLU 77 -24.256 -5.553 2.637 593 2HB GLU 77 HB3 GLU 77 -25.171 -4.790 3.951 594 1HG GLU 77 HG2 GLU 77 -23.816 -6.197 5.582 595 2HG GLU 77 HG3 GLU 77 -22.807 -6.687 4.211 596 H SER 78 H SER 78 -25.917 -7.631 1.311 597 HA SER 78 HA SER 78 -28.732 -6.872 1.107 598 1HB SER 78 HB2 SER 78 -26.710 -6.101 -1.053 599 2HB SER 78 HB3 SER 78 -28.423 -5.654 -1.000 600 HG SER 78 HG SER 78 -26.418 -4.896 0.853 601 H PHE 79 H PHE 79 -28.154 -9.379 1.483 602 HA PHE 79 HA PHE 79 -27.487 -11.094 -0.626 603 1HB PHE 79 HB2 PHE 79 -28.513 -12.852 0.594 604 2HB PHE 79 HB3 PHE 79 -27.700 -11.794 1.717 605 HD1 PHE 79 HD1 PHE 79 -29.004 -10.376 3.313 606 HD2 PHE 79 HD2 PHE 79 -30.943 -13.120 0.617 607 HE1 PHE 79 HE1 PHE 79 -31.078 -10.235 4.665 608 HE2 PHE 79 HE2 PHE 79 -33.010 -12.996 1.988 609 HZ PHE 79 HZ PHE 79 -33.086 -11.552 4.008 Start of MODEL 6 1 1H GLY 1 H1 GLY 1 15.002 -5.243 -12.362 2 2H GLY 1 H2 GLY 1 15.910 -5.961 -13.518 3 3H GLY 1 H3 GLY 1 15.606 -4.356 -13.597 4 1HA GLY 1 HA2 GLY 1 17.868 -4.731 -12.848 5 2HA GLY 1 HA3 GLY 1 16.886 -3.924 -11.611 6 H SER 2 H SER 2 19.271 -5.893 -11.682 7 HA SER 2 HA SER 2 18.282 -7.789 -9.582 8 1HB SER 2 HB2 SER 2 20.109 -8.473 -11.919 9 2HB SER 2 HB3 SER 2 19.582 -9.582 -10.637 10 HG SER 2 HG SER 2 18.334 -9.804 -12.533 11 H HIS 3 H HIS 3 20.083 -5.237 -9.628 12 HA HIS 3 HA HIS 3 22.754 -5.995 -9.018 13 1HB HIS 3 HB2 HIS 3 21.988 -3.760 -9.769 14 2HB HIS 3 HB3 HIS 3 21.218 -3.503 -8.204 15 HD2 HIS 3 HD2 HIS 3 22.720 -1.466 -7.459 16 HE1 HIS 3 HE1 HIS 3 26.536 -3.350 -7.623 17 HE2 HIS 3 HE2 HIS 3 25.288 -1.246 -6.925 18 H MET 4 H MET 4 23.910 -5.793 -7.041 19 HA MET 4 HA MET 4 22.849 -7.227 -4.755 20 1HB MET 4 HB2 MET 4 25.416 -5.643 -5.186 21 2HB MET 4 HB3 MET 4 25.079 -6.622 -3.752 22 1HG MET 4 HG2 MET 4 25.258 -7.660 -6.602 23 2HG MET 4 HG3 MET 4 26.511 -7.775 -5.384 24 1HE MET 4 HE1 MET 4 25.423 -10.238 -7.089 25 2HE MET 4 HE2 MET 4 26.726 -10.360 -5.885 26 3HE MET 4 HE3 MET 4 25.359 -11.495 -5.837 27 H LEU 5 H LEU 5 22.926 -6.526 -2.581 28 HA LEU 5 HA LEU 5 21.135 -4.365 -2.076 29 1HB LEU 5 HB2 LEU 5 22.717 -6.027 -0.145 30 2HB LEU 5 HB3 LEU 5 21.311 -5.014 0.200 31 HG LEU 5 HG LEU 5 21.399 -7.579 -1.451 32 1HD1 LEU 5 1HD1 LEU 5 21.254 -7.698 0.985 33 2HD1 LEU 5 2HD1 LEU 5 19.807 -6.647 0.928 34 3HD1 LEU 5 3HD1 LEU 5 19.767 -8.285 0.202 35 1HD2 LEU 5 1HD2 LEU 5 19.042 -5.666 -1.181 36 2HD2 LEU 5 2HD2 LEU 5 19.865 -6.112 -2.698 37 3HD2 LEU 5 3HD2 LEU 5 18.955 -7.332 -1.799 38 H LEU 6 H LEU 6 24.564 -4.321 -2.223 39 HA LEU 6 HA LEU 6 25.224 -2.382 -0.292 40 1HB LEU 6 HB2 LEU 6 27.382 -2.229 -1.477 41 2HB LEU 6 HB3 LEU 6 26.849 -3.851 -1.093 42 HG LEU 6 HG LEU 6 26.228 -4.246 -3.451 43 1HD1 LEU 6 1HD1 LEU 6 27.315 -1.441 -3.926 44 2HD1 LEU 6 2HD1 LEU 6 27.092 -2.666 -5.205 45 3HD1 LEU 6 3HD1 LEU 6 25.697 -2.062 -4.325 46 1HD2 LEU 6 1HD2 LEU 6 28.477 -4.793 -2.607 47 2HD2 LEU 6 2HD2 LEU 6 28.500 -4.362 -4.323 48 3HD2 LEU 6 3HD2 LEU 6 29.057 -3.186 -3.103 49 H GLU 7 H GLU 7 23.313 -1.649 -2.887 50 HA GLU 7 HA GLU 7 24.228 1.195 -3.034 51 1HB GLU 7 HB2 GLU 7 23.864 -0.305 -5.118 52 2HB GLU 7 HB3 GLU 7 22.151 0.049 -4.879 53 1HG GLU 7 HG2 GLU 7 22.610 2.459 -5.126 54 2HG GLU 7 HG3 GLU 7 24.355 2.155 -5.122 55 H PHE 8 H PHE 8 22.378 -0.439 -1.083 56 HA PHE 8 HA PHE 8 21.046 0.105 0.574 57 1HB PHE 8 HB2 PHE 8 21.489 2.991 -0.204 58 2HB PHE 8 HB3 PHE 8 20.961 2.389 1.359 59 HD1 PHE 8 HD1 PHE 8 22.525 0.741 2.629 60 HD2 PHE 8 HD2 PHE 8 23.818 3.245 -0.640 61 HE1 PHE 8 HE1 PHE 8 24.886 0.495 3.364 62 HE2 PHE 8 HE2 PHE 8 26.175 2.988 0.099 63 HZ PHE 8 HZ PHE 8 26.710 1.607 2.104 64 H LYS 9 H LYS 9 19.840 1.237 -2.462 65 HA LYS 9 HA LYS 9 17.153 1.830 -1.516 66 1HB LYS 9 HB2 LYS 9 16.592 2.111 -3.837 67 2HB LYS 9 HB3 LYS 9 18.117 2.919 -3.483 68 1HG LYS 9 HG2 LYS 9 19.309 0.902 -4.497 69 2HG LYS 9 HG3 LYS 9 17.716 0.290 -4.993 70 1HD LYS 9 HD2 LYS 9 17.344 2.437 -6.251 71 2HD LYS 9 HD3 LYS 9 18.985 2.947 -5.793 72 1HE LYS 9 HE2 LYS 9 19.860 0.835 -6.893 73 2HE LYS 9 HE3 LYS 9 18.229 0.536 -7.496 74 1HZ LYS 9 HZ1 LYS 9 19.913 2.884 -8.094 75 2HZ LYS 9 HZ2 LYS 9 19.584 1.669 -9.120 76 3HZ LYS 9 HZ3 LYS 9 18.377 2.679 -8.649 77 H GLN 10 H GLN 10 18.721 -1.115 -2.590 78 HA GLN 10 HA GLN 10 16.639 -2.356 -3.869 79 1HB GLN 10 HB2 GLN 10 18.985 -3.493 -2.313 80 2HB GLN 10 HB3 GLN 10 17.837 -4.557 -3.126 81 1HG GLN 10 HG2 GLN 10 19.501 -4.278 -4.734 82 2HG GLN 10 HG3 GLN 10 18.108 -3.254 -5.157 83 1HE2 GLN 10 2HE2 GLN 10 19.802 -2.250 -6.596 84 2HE2 GLN 10 1HE2 GLN 10 20.845 -1.014 -5.876 85 H PHE 11 H PHE 11 17.431 -2.888 -0.506 86 HA PHE 11 HA PHE 11 15.313 -4.741 -0.066 87 1HB PHE 11 HB2 PHE 11 15.709 -4.163 2.450 88 2HB PHE 11 HB3 PHE 11 16.947 -4.959 1.520 89 HD1 PHE 11 HD1 PHE 11 18.926 -3.756 0.598 90 HD2 PHE 11 HD2 PHE 11 16.233 -2.032 3.506 91 HE1 PHE 11 HE1 PHE 11 20.573 -2.017 1.062 92 HE2 PHE 11 HE2 PHE 11 17.939 -0.302 4.031 93 HZ PHE 11 HZ PHE 11 20.125 -0.296 2.839 94 H LEU 12 H LEU 12 15.431 -1.272 -0.029 95 HA LEU 12 HA LEU 12 12.884 -0.741 1.348 96 1HB LEU 12 HB2 LEU 12 14.998 0.852 -0.012 97 2HB LEU 12 HB3 LEU 12 13.352 1.418 -0.195 98 HG LEU 12 HG LEU 12 13.216 0.998 2.439 99 1HD1 LEU 12 1HD1 LEU 12 15.447 -0.088 2.526 100 2HD1 LEU 12 2HD1 LEU 12 16.196 1.424 1.986 101 3HD1 LEU 12 3HD1 LEU 12 15.350 1.366 3.550 102 1HD2 LEU 12 1HD2 LEU 12 13.823 3.351 2.662 103 2HD2 LEU 12 2HD2 LEU 12 14.581 3.290 1.033 104 3HD2 LEU 12 3HD2 LEU 12 12.833 3.015 1.216 105 H TYR 13 H TYR 13 14.025 -1.221 -1.907 106 HA TYR 13 HA TYR 13 11.577 -0.421 -3.149 107 1HB TYR 13 HB2 TYR 13 14.239 -1.558 -4.002 108 2HB TYR 13 HB3 TYR 13 12.982 -1.501 -5.167 109 HD1 TYR 13 HD2 TYR 13 13.238 1.123 -2.486 110 HD2 TYR 13 HD1 TYR 13 14.169 0.143 -6.590 111 HE1 TYR 13 HE2 TYR 13 13.683 3.408 -2.844 112 HE2 TYR 13 HE1 TYR 13 14.698 2.544 -6.968 113 HH TYR 13 HH TYR 13 14.442 5.017 -4.392 114 H GLU 14 H GLU 14 12.725 -3.487 -1.969 115 HA GLU 14 HA GLU 14 10.364 -5.062 -2.800 116 1HB GLU 14 HB2 GLU 14 12.245 -5.490 -0.529 117 2HB GLU 14 HB3 GLU 14 11.018 -6.625 -1.027 118 1HG GLU 14 HG2 GLU 14 13.401 -5.765 -2.718 119 2HG GLU 14 HG3 GLU 14 13.295 -7.207 -1.702 120 H ALA 15 H ALA 15 11.415 -3.323 0.065 121 HA ALA 15 HA ALA 15 9.637 -3.992 1.982 122 1HB ALA 15 HB1 ALA 15 10.568 -1.129 1.422 123 2HB ALA 15 HB2 ALA 15 10.099 -1.769 2.991 124 3HB ALA 15 HB3 ALA 15 11.588 -2.356 2.222 125 H SER 16 H SER 16 9.208 -1.669 -0.495 126 HA SER 16 HA SER 16 7.181 0.012 0.265 127 1HB SER 16 HB2 SER 16 8.518 -1.087 -2.185 128 2HB SER 16 HB3 SER 16 7.051 -0.149 -2.485 129 HG SER 16 HG SER 16 8.262 1.555 -2.259 130 H ILE 17 H ILE 17 6.875 -3.173 -1.056 131 HA ILE 17 HA ILE 17 3.903 -3.023 -1.490 132 HB ILE 17 HB ILE 17 6.270 -3.360 -3.222 133 1HG1 ILE 17 2HG1 ILE 17 5.054 -2.475 -4.931 134 2HG1 ILE 17 3HG1 ILE 17 3.518 -3.050 -4.403 135 1HG2 ILE 17 1HG2 ILE 17 5.508 -4.956 -4.832 136 2HG2 ILE 17 2HG2 ILE 17 5.801 -5.725 -3.269 137 3HG2 ILE 17 3HG2 ILE 17 4.135 -5.416 -3.807 138 1HD1 ILE 17 1HD1 ILE 17 5.063 -0.825 -3.066 139 2HD1 ILE 17 2HD1 ILE 17 3.761 -0.590 -4.214 140 3HD1 ILE 17 3HD1 ILE 17 3.397 -1.314 -2.665 141 H ASP 18 H ASP 18 5.652 -4.091 0.716 142 HA ASP 18 HA ASP 18 5.275 -7.014 0.676 143 1HB ASP 18 HB2 ASP 18 7.338 -5.886 1.528 144 2HB ASP 18 HB3 ASP 18 6.383 -5.178 2.828 145 H GLU 19 H GLU 19 3.625 -4.300 2.100 146 HA GLU 19 HA GLU 19 1.711 -6.144 3.531 147 1HB GLU 19 HB2 GLU 19 2.824 -3.568 4.678 148 2HB GLU 19 HB3 GLU 19 1.537 -4.557 5.371 149 1HG GLU 19 HG2 GLU 19 3.121 -6.488 5.494 150 2HG GLU 19 HG3 GLU 19 4.423 -5.397 4.990 151 H PHE 20 H PHE 20 1.940 -2.660 2.532 152 HA PHE 20 HA PHE 20 -0.790 -2.077 2.770 153 1HB PHE 20 HB2 PHE 20 1.310 -1.144 0.701 154 2HB PHE 20 HB3 PHE 20 -0.305 -0.429 0.823 155 HD1 PHE 20 HD1 PHE 20 3.020 -0.684 2.384 156 HD2 PHE 20 HD2 PHE 20 -0.915 1.066 2.574 157 HE1 PHE 20 HE1 PHE 20 3.868 1.048 3.892 158 HE2 PHE 20 HE2 PHE 20 -0.078 2.818 4.054 159 HZ PHE 20 HZ PHE 20 2.340 2.853 4.746 160 H MET 21 H MET 21 0.951 -3.347 0.004 161 HA MET 21 HA MET 21 -1.020 -3.536 -2.000 162 1HB MET 21 HB2 MET 21 1.468 -5.091 -1.300 163 2HB MET 21 HB3 MET 21 0.438 -5.705 -2.593 164 1HG MET 21 HG2 MET 21 1.646 -2.931 -2.515 165 2HG MET 21 HG3 MET 21 2.251 -4.349 -3.396 166 1HE MET 21 HE1 MET 21 -0.959 -4.787 -5.936 167 2HE MET 21 HE2 MET 21 0.168 -5.751 -4.961 168 3HE MET 21 HE3 MET 21 -1.309 -5.074 -4.234 169 H GLY 22 H GLY 22 -0.479 -5.595 0.801 170 1HA GLY 22 HA2 GLY 22 -2.280 -7.710 -0.166 171 2HA GLY 22 HA3 GLY 22 -1.378 -7.744 1.396 172 H LYS 23 H LYS 23 -2.134 -4.928 1.908 173 HA LYS 23 HA LYS 23 -4.378 -5.290 3.527 174 1HB LYS 23 HB2 LYS 23 -2.224 -3.552 3.062 175 2HB LYS 23 HB3 LYS 23 -3.570 -2.565 2.696 176 1HG LYS 23 HG2 LYS 23 -4.328 -2.984 5.021 177 2HG LYS 23 HG3 LYS 23 -3.027 -4.171 5.148 178 1HD LYS 23 HD2 LYS 23 -2.069 -1.476 4.380 179 2HD LYS 23 HD3 LYS 23 -2.701 -1.602 6.007 180 1HE LYS 23 HE2 LYS 23 -1.271 -3.635 6.385 181 2HE LYS 23 HE3 LYS 23 -0.544 -3.351 4.799 182 1HZ LYS 23 HZ1 LYS 23 0.776 -2.442 6.604 183 2HZ LYS 23 HZ2 LYS 23 0.244 -1.215 5.634 184 3HZ LYS 23 HZ3 LYS 23 -0.456 -1.491 7.095 185 H ILE 24 H ILE 24 -3.727 -3.681 0.447 186 HA ILE 24 HA ILE 24 -6.469 -3.012 -0.229 187 HB ILE 24 HB ILE 24 -5.393 -2.509 -2.459 188 1HG1 ILE 24 2HG1 ILE 24 -2.925 -3.395 -1.364 189 2HG1 ILE 24 3HG1 ILE 24 -3.744 -3.639 -2.925 190 1HG2 ILE 24 1HG2 ILE 24 -4.850 -0.445 -1.574 191 2HG2 ILE 24 2HG2 ILE 24 -5.745 -1.012 -0.204 192 3HG2 ILE 24 3HG2 ILE 24 -3.965 -1.096 -0.162 193 1HD1 ILE 24 1HD1 ILE 24 -2.501 -1.155 -2.029 194 2HD1 ILE 24 2HD1 ILE 24 -2.053 -2.213 -3.401 195 3HD1 ILE 24 3HD1 ILE 24 -3.632 -1.391 -3.447 196 H ALA 25 H ALA 25 -4.270 -5.572 -1.403 197 HA ALA 25 HA ALA 25 -6.141 -6.531 -3.292 198 1HB ALA 25 HB1 ALA 25 -4.788 -8.617 -3.324 199 2HB ALA 25 HB2 ALA 25 -3.788 -7.161 -3.406 200 3HB ALA 25 HB3 ALA 25 -3.914 -8.076 -1.875 201 H SER 26 H SER 26 -5.938 -6.840 0.125 202 HA SER 26 HA SER 26 -8.121 -8.817 0.268 203 1HB SER 26 HB2 SER 26 -6.077 -9.527 1.405 204 2HB SER 26 HB3 SER 26 -6.114 -8.037 2.388 205 HG SER 26 HG SER 26 -8.256 -8.689 2.992 206 H CYS 27 H CYS 27 -8.240 -5.558 -0.001 207 HA CYS 27 HA CYS 27 -8.945 -4.808 2.548 208 1HB CYS 27 HB2 CYS 27 -9.649 -2.757 1.573 209 2HB CYS 27 HB3 CYS 27 -8.225 -3.350 0.693 210 HG CYS 27 HG CYS 27 -11.024 -2.593 -0.325 211 H GLN 28 H GLN 28 -10.864 -6.304 0.133 212 HA GLN 28 HA GLN 28 -12.892 -7.213 -0.121 213 1HB GLN 28 HB2 GLN 28 -13.099 -6.871 2.891 214 2HB GLN 28 HB3 GLN 28 -14.179 -7.875 1.945 215 1HG GLN 28 HG2 GLN 28 -12.615 -9.533 1.604 216 2HG GLN 28 HG3 GLN 28 -11.246 -8.437 1.769 217 1HE2 GLN 28 1HE2 GLN 28 -10.536 -7.772 3.826 218 2HE2 GLN 28 2HE2 GLN 28 -11.099 -8.562 5.305 219 H THR 29 H THR 29 -12.730 -4.054 0.648 220 HA THR 29 HA THR 29 -15.568 -3.379 0.096 221 HB THR 29 HB THR 29 -15.450 -1.787 2.071 222 HG1 THR 29 HG1 THR 29 -13.287 -3.498 2.798 223 1HG2 THR 29 1HG2 THR 29 -15.507 -4.718 2.940 224 2HG2 THR 29 2HG2 THR 29 -16.240 -3.335 3.780 225 3HG2 THR 29 3HG2 THR 29 -16.858 -3.843 2.197 226 H LEU 30 H LEU 30 -15.706 -1.297 -0.813 227 HA LEU 30 HA LEU 30 -13.091 -0.248 -1.680 228 1HB LEU 30 HB2 LEU 30 -15.382 0.013 -3.000 229 2HB LEU 30 HB3 LEU 30 -15.683 1.236 -1.806 230 HG LEU 30 HG LEU 30 -12.943 1.671 -2.496 231 1HD1 LEU 30 1HD1 LEU 30 -12.704 0.494 -4.216 232 2HD1 LEU 30 2HD1 LEU 30 -14.345 0.785 -4.846 233 3HD1 LEU 30 3HD1 LEU 30 -13.134 2.036 -4.918 234 1HD2 LEU 30 1HD2 LEU 30 -14.580 3.234 -1.965 235 2HD2 LEU 30 2HD2 LEU 30 -13.632 3.617 -3.505 236 3HD2 LEU 30 3HD2 LEU 30 -15.325 2.952 -3.613 237 H GLU 31 H GLU 31 -15.637 0.415 0.549 238 HA GLU 31 HA GLU 31 -14.932 2.867 1.489 239 1HB GLU 31 HB2 GLU 31 -16.963 1.173 1.687 240 2HB GLU 31 HB3 GLU 31 -16.143 0.546 3.117 241 1HG GLU 31 HG2 GLU 31 -16.032 2.716 3.965 242 2HG GLU 31 HG3 GLU 31 -17.012 3.439 2.668 243 H GLY 32 H GLY 32 -13.816 -0.317 2.367 244 1HA GLY 32 HA2 GLY 32 -11.954 0.666 4.360 245 2HA GLY 32 HA3 GLY 32 -12.003 -1.016 3.752 246 H LEU 33 H LEU 33 -11.636 -0.279 0.963 247 HA LEU 33 HA LEU 33 -8.803 0.056 0.785 248 1HB LEU 33 HB2 LEU 33 -10.491 -0.863 -0.872 249 2HB LEU 33 HB3 LEU 33 -11.189 0.623 -1.133 250 HG LEU 33 HG LEU 33 -9.379 1.559 -2.358 251 1HD1 LEU 33 1HD1 LEU 33 -7.739 -0.815 -1.459 252 2HD1 LEU 33 2HD1 LEU 33 -7.347 0.236 -2.859 253 3HD1 LEU 33 3HD1 LEU 33 -7.410 0.935 -1.233 254 1HD2 LEU 33 1HD2 LEU 33 -10.813 -0.178 -3.404 255 2HD2 LEU 33 2HD2 LEU 33 -9.204 -0.007 -4.128 256 3HD2 LEU 33 3HD2 LEU 33 -9.525 -1.363 -3.032 257 H GLU 34 H GLU 34 -11.339 2.297 0.435 258 HA GLU 34 HA GLU 34 -10.013 4.730 -0.008 259 1HB GLU 34 HB2 GLU 34 -12.619 3.807 1.046 260 2HB GLU 34 HB3 GLU 34 -12.256 5.556 1.151 261 1HG GLU 34 HG2 GLU 34 -12.146 3.921 -1.462 262 2HG GLU 34 HG3 GLU 34 -13.519 4.831 -0.818 263 H GLU 35 H GLU 35 -10.717 2.982 2.940 264 HA GLU 35 HA GLU 35 -9.848 5.076 4.880 265 1HB GLU 35 HB2 GLU 35 -10.289 2.097 5.289 266 2HB GLU 35 HB3 GLU 35 -9.692 3.179 6.524 267 1HG GLU 35 HG2 GLU 35 -12.252 3.883 5.166 268 2HG GLU 35 HG3 GLU 35 -12.226 2.506 6.295 269 H LEU 36 H LEU 36 -8.615 2.048 3.526 270 HA LEU 36 HA LEU 36 -6.014 2.188 4.450 271 1HB LEU 36 HB2 LEU 36 -6.712 1.038 1.731 272 2HB LEU 36 HB3 LEU 36 -5.256 0.809 2.633 273 HG LEU 36 HG LEU 36 -7.871 -0.151 3.790 274 1HD1 LEU 36 1HD1 LEU 36 -7.265 -2.360 2.915 275 2HD1 LEU 36 2HD1 LEU 36 -7.513 -1.273 1.543 276 3HD1 LEU 36 3HD1 LEU 36 -5.869 -1.653 2.057 277 1HD2 LEU 36 1HD2 LEU 36 -6.369 -1.588 4.958 278 2HD2 LEU 36 2HD2 LEU 36 -4.984 -0.892 4.056 279 3HD2 LEU 36 3HD2 LEU 36 -5.945 0.122 5.194 280 H GLU 37 H GLU 37 -7.469 3.649 1.484 281 HA GLU 37 HA GLU 37 -5.239 4.631 0.468 282 1HB GLU 37 HB2 GLU 37 -7.535 4.580 -0.471 283 2HB GLU 37 HB3 GLU 37 -7.936 6.099 0.274 284 1HG GLU 37 HG2 GLU 37 -5.552 5.608 -1.510 285 2HG GLU 37 HG3 GLU 37 -7.145 5.931 -2.242 286 H ALA 38 H ALA 38 -7.549 6.179 2.648 287 HA ALA 38 HA ALA 38 -6.112 8.562 2.937 288 1HB ALA 38 HB1 ALA 38 -7.441 8.823 5.079 289 2HB ALA 38 HB2 ALA 38 -8.453 8.364 3.700 290 3HB ALA 38 HB3 ALA 38 -8.009 7.147 4.900 291 H TYR 39 H TYR 39 -6.038 5.504 4.889 292 HA TYR 39 HA TYR 39 -4.198 6.392 6.778 293 1HB TYR 39 HB2 TYR 39 -5.072 4.475 7.565 294 2HB TYR 39 HB3 TYR 39 -5.329 3.820 5.949 295 HD1 TYR 39 HD2 TYR 39 -2.765 4.073 8.644 296 HD2 TYR 39 HD1 TYR 39 -3.888 2.393 4.834 297 HE1 TYR 39 HE2 TYR 39 -0.747 2.617 8.669 298 HE2 TYR 39 HE1 TYR 39 -1.882 1.043 4.794 299 HH TYR 39 HH TYR 39 0.499 1.126 7.545 300 H TYR 40 H TYR 40 -3.611 4.961 3.590 301 HA TYR 40 HA TYR 40 -0.782 4.722 3.467 302 1HB TYR 40 HB2 TYR 40 -2.035 3.790 1.722 303 2HB TYR 40 HB3 TYR 40 -3.061 5.214 1.600 304 HD1 TYR 40 HD1 TYR 40 0.669 4.762 1.124 305 HD2 TYR 40 HD2 TYR 40 -3.138 6.106 -0.430 306 HE1 TYR 40 HE1 TYR 40 1.769 5.580 -0.946 307 HE2 TYR 40 HE2 TYR 40 -2.007 6.979 -2.431 308 HH TYR 40 HH TYR 40 1.457 7.103 -2.824 309 H LYS 41 H LYS 41 -2.888 7.472 2.380 310 HA LYS 41 HA LYS 41 -0.804 9.315 1.974 311 1HB LYS 41 HB2 LYS 41 -3.630 9.851 2.806 312 2HB LYS 41 HB3 LYS 41 -2.522 11.047 2.099 313 1HG LYS 41 HG2 LYS 41 -2.599 8.556 0.479 314 2HG LYS 41 HG3 LYS 41 -4.190 9.216 0.754 315 1HD LYS 41 HD2 LYS 41 -3.173 10.005 -1.314 316 2HD LYS 41 HD3 LYS 41 -3.404 11.397 -0.245 317 1HE LYS 41 HE2 LYS 41 -0.900 10.069 0.275 318 2HE LYS 41 HE3 LYS 41 -1.020 10.309 -1.471 319 1HZ LYS 41 HZ1 LYS 41 -1.195 12.459 0.570 320 2HZ LYS 41 HZ2 LYS 41 0.049 12.216 -0.466 321 3HZ LYS 41 HZ3 LYS 41 -1.405 12.673 -1.046 322 H LYS 42 H LYS 42 -2.563 8.634 5.023 323 HA LYS 42 HA LYS 42 -1.702 10.739 6.659 324 1HB LYS 42 HB2 LYS 42 -2.899 7.967 6.893 325 2HB LYS 42 HB3 LYS 42 -2.649 8.894 8.288 326 1HG LYS 42 HG2 LYS 42 -4.296 9.922 5.976 327 2HG LYS 42 HG3 LYS 42 -4.990 8.938 7.288 328 1HD LYS 42 HD2 LYS 42 -4.459 10.705 8.905 329 2HD LYS 42 HD3 LYS 42 -3.633 11.625 7.620 330 1HE LYS 42 HE2 LYS 42 -5.812 11.349 6.255 331 2HE LYS 42 HE3 LYS 42 -6.582 10.854 7.770 332 1HZ LYS 42 HZ1 LYS 42 -5.955 12.982 8.732 333 2HZ LYS 42 HZ2 LYS 42 -5.292 13.474 7.308 334 3HZ LYS 42 HZ3 LYS 42 -6.902 13.195 7.415 335 H ARG 43 H ARG 43 -0.527 7.302 6.307 336 HA ARG 43 HA ARG 43 1.578 7.759 8.289 337 1HB ARG 43 HB2 ARG 43 0.556 5.513 7.739 338 2HB ARG 43 HB3 ARG 43 1.481 5.525 6.218 339 1HG ARG 43 HG2 ARG 43 3.585 5.895 7.666 340 2HG ARG 43 HG3 ARG 43 2.558 5.638 9.084 341 1HD ARG 43 HD2 ARG 43 1.949 3.381 8.210 342 2HD ARG 43 HD3 ARG 43 3.059 3.653 6.843 343 HE ARG 43 HE ARG 43 4.289 4.040 9.466 344 1HH1 ARG 43 1HH2 ARG 43 3.617 1.555 7.076 345 2HH1 ARG 43 2HH2 ARG 43 4.857 0.501 7.716 346 1HH2 ARG 43 1HH1 ARG 43 5.826 2.640 10.218 347 2HH2 ARG 43 2HH1 ARG 43 6.062 1.100 9.442 348 H VAL 44 H VAL 44 1.584 7.861 4.628 349 HA VAL 44 HA VAL 44 4.189 7.447 4.251 350 HB VAL 44 HB VAL 44 1.879 8.776 2.900 351 1HG1 VAL 44 1HG1 VAL 44 4.603 9.107 1.688 352 2HG1 VAL 44 2HG1 VAL 44 3.020 9.199 0.834 353 3HG1 VAL 44 3HG1 VAL 44 3.407 10.352 2.126 354 1HG2 VAL 44 1HG2 VAL 44 2.384 6.922 1.356 355 2HG2 VAL 44 2HG2 VAL 44 3.853 6.569 2.347 356 3HG2 VAL 44 3HG2 VAL 44 2.284 6.394 3.060 357 H LYS 45 H LYS 45 2.856 10.581 4.939 358 HA LYS 45 HA LYS 45 5.123 12.165 4.688 359 1HB LYS 45 HB2 LYS 45 3.740 13.721 6.122 360 2HB LYS 45 HB3 LYS 45 2.762 12.804 4.937 361 1HG LYS 45 HG2 LYS 45 2.399 11.139 6.885 362 2HG LYS 45 HG3 LYS 45 3.232 12.379 7.862 363 1HD LYS 45 HD2 LYS 45 1.462 14.091 7.097 364 2HD LYS 45 HD3 LYS 45 0.512 12.671 6.541 365 1HE LYS 45 HE2 LYS 45 1.195 11.643 8.780 366 2HE LYS 45 HE3 LYS 45 1.633 13.260 9.309 367 1HZ LYS 45 HZ1 LYS 45 -0.608 12.776 9.997 368 2HZ LYS 45 HZ2 LYS 45 -0.626 13.999 8.904 369 3HZ LYS 45 HZ3 LYS 45 -1.086 12.487 8.454 370 H GLU 46 H GLU 46 4.205 10.072 7.198 371 HA GLU 46 HA GLU 46 5.833 10.905 9.493 372 1HB GLU 46 HB2 GLU 46 3.379 10.073 9.354 373 2HB GLU 46 HB3 GLU 46 4.173 8.491 9.317 374 1HG GLU 46 HG2 GLU 46 3.518 9.110 11.513 375 2HG GLU 46 HG3 GLU 46 5.225 8.843 11.364 376 H THR 47 H THR 47 6.187 9.016 6.802 377 HA THR 47 HA THR 47 8.406 7.464 7.968 378 HB THR 47 HB THR 47 6.358 6.134 8.231 379 HG1 THR 47 HG1 THR 47 8.057 4.882 8.143 380 1HG2 THR 47 1HG2 THR 47 5.228 5.144 6.373 381 2HG2 THR 47 2HG2 THR 47 5.193 6.912 6.245 382 3HG2 THR 47 3HG2 THR 47 6.268 5.969 5.197 383 H GLU 48 H GLU 48 8.450 5.740 5.512 384 HA GLU 48 HA GLU 48 10.146 7.553 3.932 385 1HB GLU 48 HB2 GLU 48 10.954 4.849 4.902 386 2HB GLU 48 HB3 GLU 48 11.971 6.043 4.053 387 1HG GLU 48 HG2 GLU 48 11.439 7.642 5.931 388 2HG GLU 48 HG3 GLU 48 10.742 6.277 6.806 389 H LEU 49 H LEU 49 7.641 6.568 3.183 390 HA LEU 49 HA LEU 49 7.852 4.909 0.860 391 1HB LEU 49 HB2 LEU 49 5.705 5.331 1.556 392 2HB LEU 49 HB3 LEU 49 6.001 6.979 1.878 393 HG LEU 49 HG LEU 49 4.487 7.192 0.353 394 1HD1 LEU 49 1HD1 LEU 49 6.725 7.355 -1.580 395 2HD1 LEU 49 2HD1 LEU 49 5.174 8.159 -1.604 396 3HD1 LEU 49 3HD1 LEU 49 6.347 8.561 -0.316 397 1HD2 LEU 49 1HD2 LEU 49 3.888 5.972 -1.396 398 2HD2 LEU 49 2HD2 LEU 49 5.471 5.195 -1.555 399 3HD2 LEU 49 3HD2 LEU 49 4.378 4.794 -0.189 400 H LYS 50 H LYS 50 8.495 5.192 -0.948 401 HA LYS 50 HA LYS 50 10.192 7.489 -1.846 402 1HB LYS 50 HB2 LYS 50 11.807 5.948 -2.649 403 2HB LYS 50 HB3 LYS 50 11.494 5.425 -1.052 404 1HG LYS 50 HG2 LYS 50 9.690 3.989 -2.803 405 2HG LYS 50 HG3 LYS 50 11.323 3.959 -3.478 406 1HD LYS 50 HD2 LYS 50 10.989 2.031 -2.005 407 2HD LYS 50 HD3 LYS 50 12.186 3.149 -1.303 408 1HE LYS 50 HE2 LYS 50 10.550 4.132 0.139 409 2HE LYS 50 HE3 LYS 50 9.262 3.257 -0.651 410 1HZ LYS 50 HZ1 LYS 50 10.187 1.170 0.119 411 2HZ LYS 50 HZ2 LYS 50 11.164 2.012 1.161 412 3HZ LYS 50 HZ3 LYS 50 9.533 2.132 1.282 413 H ASP 51 H ASP 51 10.556 6.916 -4.429 414 HA ASP 51 HA ASP 51 7.941 7.330 -5.612 415 1HB ASP 51 HB2 ASP 51 10.458 6.211 -6.892 416 2HB ASP 51 HB3 ASP 51 9.044 6.857 -7.763 417 H THR 52 H THR 52 9.903 4.438 -5.204 418 HA THR 52 HA THR 52 8.572 2.651 -6.868 419 HB THR 52 HB THR 52 9.863 2.234 -4.187 420 HG1 THR 52 HG1 THR 52 11.811 1.936 -5.383 421 1HG2 THR 52 1HG2 THR 52 9.553 0.292 -6.511 422 2HG2 THR 52 2HG2 THR 52 10.742 0.027 -5.232 423 3HG2 THR 52 3HG2 THR 52 9.019 0.061 -4.823 424 H ASP 53 H ASP 53 7.739 3.273 -3.338 425 HA ASP 53 HA ASP 53 5.773 1.104 -3.476 426 1HB ASP 53 HB2 ASP 53 4.765 2.834 -1.492 427 2HB ASP 53 HB3 ASP 53 5.605 1.333 -1.234 428 H ASP 54 H ASP 54 5.927 4.579 -3.745 429 HA ASP 54 HA ASP 54 3.278 5.030 -3.188 430 1HB ASP 54 HB2 ASP 54 5.285 6.578 -3.454 431 2HB ASP 54 HB3 ASP 54 5.000 6.616 -5.165 432 H ILE 55 H ILE 55 4.695 4.587 -6.305 433 HA ILE 55 HA ILE 55 2.278 5.032 -7.922 434 HB ILE 55 HB ILE 55 4.525 3.413 -9.062 435 1HG1 ILE 55 2HG1 ILE 55 5.241 6.240 -9.396 436 2HG1 ILE 55 3HG1 ILE 55 5.248 5.760 -7.737 437 1HG2 ILE 55 1HG2 ILE 55 2.870 5.719 -10.146 438 2HG2 ILE 55 2HG2 ILE 55 4.006 4.716 -11.081 439 3HG2 ILE 55 3HG2 ILE 55 2.538 3.984 -10.393 440 1HD1 ILE 55 1HD1 ILE 55 7.429 5.182 -8.755 441 2HD1 ILE 55 2HD1 ILE 55 6.555 3.688 -8.283 442 3HD1 ILE 55 3HD1 ILE 55 6.603 4.192 -9.985 443 H SER 56 H SER 56 4.155 2.275 -6.825 444 HA SER 56 HA SER 56 2.900 0.299 -8.530 445 1HB SER 56 HB2 SER 56 4.843 0.436 -6.349 446 2HB SER 56 HB3 SER 56 3.930 -1.088 -6.390 447 HG SER 56 HG SER 56 5.910 -1.032 -7.675 448 H VAL 57 H VAL 57 2.511 1.292 -5.243 449 HA VAL 57 HA VAL 57 0.339 -0.535 -4.634 450 HB VAL 57 HB VAL 57 2.157 0.689 -3.101 451 1HG1 VAL 57 1HG1 VAL 57 -0.256 2.350 -2.616 452 2HG1 VAL 57 2HG1 VAL 57 1.263 2.256 -1.665 453 3HG1 VAL 57 3HG1 VAL 57 1.338 2.877 -3.334 454 1HG2 VAL 57 1HG2 VAL 57 -0.623 0.147 -2.040 455 2HG2 VAL 57 2HG2 VAL 57 0.544 -1.137 -2.443 456 3HG2 VAL 57 3HG2 VAL 57 0.930 0.053 -1.182 457 H ARG 58 H ARG 58 0.526 3.140 -5.316 458 HA ARG 58 HA ARG 58 -2.210 3.391 -5.218 459 1HB ARG 58 HB2 ARG 58 0.021 4.868 -6.476 460 2HB ARG 58 HB3 ARG 58 -1.380 5.050 -7.325 461 1HG ARG 58 HG2 ARG 58 -1.447 5.326 -4.299 462 2HG ARG 58 HG3 ARG 58 -1.086 6.721 -5.372 463 1HD ARG 58 HD2 ARG 58 -3.255 6.066 -6.554 464 2HD ARG 58 HD3 ARG 58 -3.628 5.043 -5.177 465 HE ARG 58 HE ARG 58 -4.056 6.885 -3.822 466 1HH1 ARG 58 1HH1 ARG 58 -2.748 8.148 -6.850 467 2HH1 ARG 58 2HH1 ARG 58 -3.189 9.775 -6.429 468 1HH2 ARG 58 1HH2 ARG 58 -4.589 8.918 -3.393 469 2HH2 ARG 58 2HH2 ARG 58 -4.193 10.211 -4.525 470 H ASP 59 H ASP 59 -0.299 2.223 -7.943 471 HA ASP 59 HA ASP 59 -2.475 2.251 -9.844 472 1HB ASP 59 HB2 ASP 59 -0.084 2.058 -10.386 473 2HB ASP 59 HB3 ASP 59 -0.055 0.412 -9.738 474 H ALA 60 H ALA 60 -1.756 0.077 -7.346 475 HA ALA 60 HA ALA 60 -3.356 -2.242 -8.125 476 1HB ALA 60 HB1 ALA 60 -2.416 -3.103 -5.964 477 2HB ALA 60 HB2 ALA 60 -1.141 -2.633 -7.130 478 3HB ALA 60 HB3 ALA 60 -1.515 -1.576 -5.775 479 H LEU 61 H LEU 61 -3.142 0.283 -5.654 480 HA LEU 61 HA LEU 61 -5.423 -0.339 -4.159 481 1HB LEU 61 HB2 LEU 61 -3.252 0.876 -3.687 482 2HB LEU 61 HB3 LEU 61 -3.852 2.232 -4.657 483 HG LEU 61 HG LEU 61 -5.563 1.264 -2.545 484 1HD1 LEU 61 1HD1 LEU 61 -4.295 2.150 -0.677 485 2HD1 LEU 61 2HD1 LEU 61 -3.337 0.944 -1.558 486 3HD1 LEU 61 3HD1 LEU 61 -2.994 2.660 -1.786 487 1HD2 LEU 61 1HD2 LEU 61 -6.073 3.330 -3.830 488 2HD2 LEU 61 2HD2 LEU 61 -6.045 3.511 -2.079 489 3HD2 LEU 61 3HD2 LEU 61 -4.646 4.074 -3.050 490 H ALA 62 H ALA 62 -4.768 2.325 -6.495 491 HA ALA 62 HA ALA 62 -7.488 2.796 -7.054 492 1HB ALA 62 HB1 ALA 62 -6.796 4.020 -9.025 493 2HB ALA 62 HB2 ALA 62 -5.653 4.370 -7.714 494 3HB ALA 62 HB3 ALA 62 -5.215 3.233 -9.020 495 H GLY 63 H GLY 63 -5.466 0.287 -7.985 496 1HA GLY 63 HA2 GLY 63 -6.325 -0.854 -10.387 497 2HA GLY 63 HA3 GLY 63 -5.565 -1.639 -9.053 498 H LYS 64 H LYS 64 -6.935 -1.469 -6.954 499 HA LYS 64 HA LYS 64 -9.203 -3.217 -7.321 500 1HB LYS 64 HB2 LYS 64 -7.309 -3.322 -5.496 501 2HB LYS 64 HB3 LYS 64 -8.297 -2.126 -4.689 502 1HG LYS 64 HG2 LYS 64 -9.488 -3.995 -3.880 503 2HG LYS 64 HG3 LYS 64 -10.181 -3.954 -5.473 504 1HD LYS 64 HD2 LYS 64 -8.380 -5.434 -6.356 505 2HD LYS 64 HD3 LYS 64 -7.767 -5.643 -4.707 506 1HE LYS 64 HE2 LYS 64 -10.616 -6.308 -5.586 507 2HE LYS 64 HE3 LYS 64 -9.287 -7.472 -5.698 508 1HZ LYS 64 HZ1 LYS 64 -10.178 -6.232 -3.162 509 2HZ LYS 64 HZ2 LYS 64 -10.582 -7.737 -3.684 510 3HZ LYS 64 HZ3 LYS 64 -9.024 -7.395 -3.335 511 H ARG 65 H ARG 65 -8.771 0.175 -6.589 512 HA ARG 65 HA ARG 65 -11.158 0.695 -5.404 513 1HB ARG 65 HB2 ARG 65 -9.111 2.113 -5.953 514 2HB ARG 65 HB3 ARG 65 -9.977 2.647 -7.358 515 1HG ARG 65 HG2 ARG 65 -11.436 3.999 -6.057 516 2HG ARG 65 HG3 ARG 65 -11.370 2.882 -4.734 517 1HD ARG 65 HD2 ARG 65 -9.149 3.493 -4.108 518 2HD ARG 65 HD3 ARG 65 -8.848 4.281 -5.644 519 HE ARG 65 HE ARG 65 -10.206 5.433 -3.304 520 1HH1 ARG 65 1HH1 ARG 65 -9.798 5.917 -6.779 521 2HH1 ARG 65 2HH1 ARG 65 -10.230 7.602 -6.639 522 1HH2 ARG 65 1HH2 ARG 65 -10.754 7.420 -3.234 523 2HH2 ARG 65 2HH2 ARG 65 -10.736 8.482 -4.655 524 H ALA 66 H ALA 66 -10.454 0.566 -8.855 525 HA ALA 66 HA ALA 66 -13.079 1.331 -9.809 526 1HB ALA 66 HB1 ALA 66 -12.458 0.242 -11.886 527 2HB ALA 66 HB2 ALA 66 -11.161 1.332 -11.306 528 3HB ALA 66 HB3 ALA 66 -11.016 -0.450 -11.109 529 H GLU 67 H GLU 67 -11.741 -1.728 -8.600 530 HA GLU 67 HA GLU 67 -13.632 -3.575 -9.806 531 1HB GLU 67 HB2 GLU 67 -11.940 -3.874 -7.331 532 2HB GLU 67 HB3 GLU 67 -12.696 -5.149 -8.285 533 1HG GLU 67 HG2 GLU 67 -10.486 -3.259 -9.300 534 2HG GLU 67 HG3 GLU 67 -10.311 -4.775 -8.480 535 H LEU 68 H LEU 68 -13.070 -1.760 -6.928 536 HA LEU 68 HA LEU 68 -14.986 -3.122 -5.243 537 1HB LEU 68 HB2 LEU 68 -12.716 -1.379 -4.936 538 2HB LEU 68 HB3 LEU 68 -13.998 -1.298 -3.697 539 HG LEU 68 HG LEU 68 -12.548 -3.830 -4.649 540 1HD1 LEU 68 1HD1 LEU 68 -12.436 -2.120 -2.254 541 2HD1 LEU 68 2HD1 LEU 68 -11.677 -3.744 -2.552 542 3HD1 LEU 68 3HD1 LEU 68 -11.272 -2.356 -3.610 543 1HD2 LEU 68 1HD2 LEU 68 -14.912 -4.322 -3.551 544 2HD2 LEU 68 2HD2 LEU 68 -13.629 -4.615 -2.357 545 3HD2 LEU 68 3HD2 LEU 68 -14.478 -3.072 -2.349 546 H GLU 69 H GLU 69 -14.670 -0.194 -7.006 547 HA GLU 69 HA GLU 69 -16.983 1.230 -6.194 548 1HB GLU 69 HB2 GLU 69 -14.732 1.254 -8.205 549 2HB GLU 69 HB3 GLU 69 -16.078 1.903 -8.700 550 1HG GLU 69 HG2 GLU 69 -16.057 3.410 -6.481 551 2HG GLU 69 HG3 GLU 69 -14.454 2.775 -6.310 552 H ASP 70 H ASP 70 -16.195 -1.151 -8.591 553 HA ASP 70 HA ASP 70 -18.892 -1.222 -9.856 554 1HB ASP 70 HB2 ASP 70 -16.637 -2.363 -10.708 555 2HB ASP 70 HB3 ASP 70 -17.141 -3.678 -9.676 556 H SER 71 H SER 71 -17.166 -2.362 -7.051 557 HA SER 71 HA SER 71 -19.409 -4.095 -6.312 558 1HB SER 71 HB2 SER 71 -17.055 -4.851 -6.041 559 2HB SER 71 HB3 SER 71 -16.876 -3.737 -4.667 560 HG SER 71 HG SER 71 -18.666 -4.829 -3.709 561 H ASP 72 H ASP 72 -19.562 -1.072 -6.285 562 HA ASP 72 HA ASP 72 -19.374 0.098 -3.775 563 1HB ASP 72 HB2 ASP 72 -19.471 1.387 -5.756 564 2HB ASP 72 HB3 ASP 72 -21.114 0.833 -6.128 565 H ASP 73 H ASP 73 -21.853 -1.998 -4.882 566 HA ASP 73 HA ASP 73 -23.661 -1.482 -2.545 567 1HB ASP 73 HB2 ASP 73 -24.696 -0.728 -4.617 568 2HB ASP 73 HB3 ASP 73 -24.434 -2.344 -5.291 569 H GLU 74 H GLU 74 -24.015 -3.165 -1.272 570 HA GLU 74 HA GLU 74 -22.509 -5.653 -1.911 571 1HB GLU 74 HB2 GLU 74 -22.502 -4.055 0.652 572 2HB GLU 74 HB3 GLU 74 -21.591 -5.546 0.325 573 1HG GLU 74 HG2 GLU 74 -20.553 -4.351 -1.671 574 2HG GLU 74 HG3 GLU 74 -21.313 -2.885 -1.113 575 H VAL 75 H VAL 75 -22.759 -7.485 -0.594 576 HA VAL 75 HA VAL 75 -25.314 -8.553 -0.432 577 HB VAL 75 HB VAL 75 -22.857 -9.394 1.151 578 1HG1 VAL 75 1HG1 VAL 75 -25.430 -10.916 0.599 579 2HG1 VAL 75 2HG1 VAL 75 -23.929 -11.661 1.188 580 3HG1 VAL 75 3HG1 VAL 75 -24.765 -10.470 2.188 581 1HG2 VAL 75 1HG2 VAL 75 -22.503 -9.440 -1.301 582 2HG2 VAL 75 2HG2 VAL 75 -22.611 -11.085 -0.667 583 3HG2 VAL 75 3HG2 VAL 75 -24.011 -10.371 -1.507 584 H GLU 76 H GLU 76 -26.876 -8.646 0.897 585 HA GLU 76 HA GLU 76 -28.330 -8.585 2.519 586 1HB GLU 76 HB2 GLU 76 -27.903 -9.697 4.436 587 2HB GLU 76 HB3 GLU 76 -26.687 -10.299 3.348 588 1HG GLU 76 HG2 GLU 76 -24.961 -8.936 4.428 589 2HG GLU 76 HG3 GLU 76 -26.192 -8.087 5.385 590 H GLU 77 H GLU 77 -25.945 -6.222 2.930 591 HA GLU 77 HA GLU 77 -27.300 -4.554 4.948 592 1HB GLU 77 HB2 GLU 77 -25.367 -3.775 2.735 593 2HB GLU 77 HB3 GLU 77 -25.989 -2.698 4.003 594 1HG GLU 77 HG2 GLU 77 -25.001 -4.259 5.724 595 2HG GLU 77 HG3 GLU 77 -24.232 -5.155 4.404 596 H SER 78 H SER 78 -27.393 -5.014 1.460 597 HA SER 78 HA SER 78 -30.132 -3.992 1.502 598 1HB SER 78 HB2 SER 78 -28.518 -3.181 -0.917 599 2HB SER 78 HB3 SER 78 -29.909 -2.377 -0.182 600 HG SER 78 HG SER 78 -27.299 -2.533 0.902 601 H PHE 79 H PHE 79 -28.308 -6.595 0.727 602 HA PHE 79 HA PHE 79 -29.886 -7.346 -1.644 603 1HB PHE 79 HB2 PHE 79 -27.694 -6.126 -2.202 604 2HB PHE 79 HB3 PHE 79 -26.871 -7.577 -1.673 605 HD1 PHE 79 HD1 PHE 79 -27.308 -9.770 -2.950 606 HD2 PHE 79 HD2 PHE 79 -28.779 -5.950 -4.307 607 HE1 PHE 79 HE1 PHE 79 -27.675 -10.715 -5.223 608 HE2 PHE 79 HE2 PHE 79 -29.127 -6.894 -6.572 609 HZ PHE 79 HZ PHE 79 -28.581 -9.274 -7.030 Start of MODEL 7 1 1H GLY 1 H1 GLY 1 31.021 -13.160 -7.706 2 2H GLY 1 H2 GLY 1 31.072 -14.140 -6.397 3 3H GLY 1 H3 GLY 1 32.459 -13.565 -7.042 4 1HA GLY 1 HA2 GLY 1 31.947 -12.358 -5.018 5 2HA GLY 1 HA3 GLY 1 31.916 -11.305 -6.444 6 H SER 2 H SER 2 30.291 -12.053 -3.692 7 HA SER 2 HA SER 2 27.661 -11.019 -4.685 8 1HB SER 2 HB2 SER 2 28.045 -13.389 -2.812 9 2HB SER 2 HB3 SER 2 26.499 -12.708 -3.335 10 HG SER 2 HG SER 2 27.070 -14.547 -4.554 11 H HIS 3 H HIS 3 29.996 -9.916 -3.059 12 HA HIS 3 HA HIS 3 29.262 -9.781 -0.308 13 1HB HIS 3 HB2 HIS 3 31.278 -8.182 -1.932 14 2HB HIS 3 HB3 HIS 3 31.236 -8.288 -0.173 15 HD2 HIS 3 HD2 HIS 3 32.258 -10.431 0.983 16 HE1 HIS 3 HE1 HIS 3 33.514 -12.495 -2.524 17 HE2 HIS 3 HE2 HIS 3 33.643 -12.452 0.011 18 H MET 4 H MET 4 27.751 -8.068 -2.730 19 HA MET 4 HA MET 4 26.993 -5.783 -0.954 20 1HB MET 4 HB2 MET 4 27.846 -5.555 -3.871 21 2HB MET 4 HB3 MET 4 27.145 -4.259 -2.899 22 1HG MET 4 HG2 MET 4 29.067 -4.414 -1.324 23 2HG MET 4 HG3 MET 4 29.800 -5.628 -2.373 24 1HE MET 4 HE1 MET 4 31.294 -3.000 -1.400 25 2HE MET 4 HE2 MET 4 32.027 -4.236 -2.444 26 3HE MET 4 HE3 MET 4 32.115 -2.518 -2.903 27 H LEU 5 H LEU 5 25.111 -4.666 -1.557 28 HA LEU 5 HA LEU 5 22.904 -6.440 -2.165 29 1HB LEU 5 HB2 LEU 5 22.989 -3.547 -1.385 30 2HB LEU 5 HB3 LEU 5 21.545 -4.551 -1.512 31 HG LEU 5 HG LEU 5 23.842 -4.821 0.469 32 1HD1 LEU 5 1HD1 LEU 5 22.026 -3.215 0.869 33 2HD1 LEU 5 2HD1 LEU 5 20.849 -4.538 0.693 34 3HD1 LEU 5 3HD1 LEU 5 22.005 -4.534 2.054 35 1HD2 LEU 5 1HD2 LEU 5 22.591 -6.763 1.452 36 2HD2 LEU 5 2HD2 LEU 5 21.579 -6.807 -0.012 37 3HD2 LEU 5 3HD2 LEU 5 23.324 -7.143 -0.103 38 H LEU 6 H LEU 6 24.756 -4.610 -4.254 39 HA LEU 6 HA LEU 6 24.649 -3.755 -6.289 40 1HB LEU 6 HB2 LEU 6 23.783 -5.898 -6.977 41 2HB LEU 6 HB3 LEU 6 22.135 -5.395 -6.629 42 HG LEU 6 HG LEU 6 22.253 -3.674 -8.412 43 1HD1 LEU 6 1HD1 LEU 6 25.000 -4.870 -8.981 44 2HD1 LEU 6 2HD1 LEU 6 24.119 -3.764 -10.059 45 3HD1 LEU 6 3HD1 LEU 6 24.666 -3.197 -8.478 46 1HD2 LEU 6 1HD2 LEU 6 21.409 -5.935 -8.894 47 2HD2 LEU 6 2HD2 LEU 6 22.212 -5.220 -10.301 48 3HD2 LEU 6 3HD2 LEU 6 23.051 -6.458 -9.333 49 H GLU 7 H GLU 7 24.580 -1.704 -6.259 50 HA GLU 7 HA GLU 7 23.997 0.473 -6.165 51 1HB GLU 7 HB2 GLU 7 21.226 -0.358 -7.079 52 2HB GLU 7 HB3 GLU 7 21.948 1.258 -7.170 53 1HG GLU 7 HG2 GLU 7 23.731 0.388 -8.665 54 2HG GLU 7 HG3 GLU 7 22.934 -1.195 -8.670 55 H PHE 8 H PHE 8 23.305 -1.348 -3.871 56 HA PHE 8 HA PHE 8 22.493 -1.449 -1.828 57 1HB PHE 8 HB2 PHE 8 23.110 0.365 -0.379 58 2HB PHE 8 HB3 PHE 8 24.331 0.001 -1.580 59 HD1 PHE 8 HD2 PHE 8 21.652 2.452 -0.658 60 HD2 PHE 8 HD1 PHE 8 25.121 1.668 -3.107 61 HE1 PHE 8 HE2 PHE 8 21.719 4.842 -1.344 62 HE2 PHE 8 HE1 PHE 8 25.195 4.058 -3.772 63 HZ PHE 8 HZ PHE 8 23.499 5.642 -2.893 64 H LYS 9 H LYS 9 20.475 0.659 -3.650 65 HA LYS 9 HA LYS 9 18.620 1.513 -1.711 66 1HB LYS 9 HB2 LYS 9 18.380 1.035 -4.703 67 2HB LYS 9 HB3 LYS 9 17.113 1.801 -3.734 68 1HG LYS 9 HG2 LYS 9 18.523 3.636 -3.097 69 2HG LYS 9 HG3 LYS 9 19.955 2.888 -3.816 70 1HD LYS 9 HD2 LYS 9 18.876 3.007 -6.062 71 2HD LYS 9 HD3 LYS 9 17.497 3.855 -5.359 72 1HE LYS 9 HE2 LYS 9 20.385 4.832 -5.266 73 2HE LYS 9 HE3 LYS 9 19.201 5.317 -6.482 74 1HZ LYS 9 HZ1 LYS 9 19.319 6.939 -4.757 75 2HZ LYS 9 HZ2 LYS 9 17.845 6.241 -4.713 76 3HZ LYS 9 HZ3 LYS 9 18.980 5.844 -3.588 77 H GLN 10 H GLN 10 18.762 -1.664 -3.187 78 HA GLN 10 HA GLN 10 16.055 -1.970 -3.619 79 1HB GLN 10 HB2 GLN 10 17.761 -4.419 -3.250 80 2HB GLN 10 HB3 GLN 10 16.359 -4.185 -4.309 81 1HG GLN 10 HG2 GLN 10 17.803 -2.412 -5.520 82 2HG GLN 10 HG3 GLN 10 19.117 -3.063 -4.495 83 1HE2 GLN 10 2HE2 GLN 10 20.115 -5.028 -5.198 84 2HE2 GLN 10 1HE2 GLN 10 19.497 -5.942 -6.584 85 H PHE 11 H PHE 11 17.757 -2.660 -0.677 86 HA PHE 11 HA PHE 11 15.940 -4.376 0.504 87 1HB PHE 11 HB2 PHE 11 16.687 -3.710 2.647 88 2HB PHE 11 HB3 PHE 11 18.085 -3.749 1.576 89 HD1 PHE 11 HD1 PHE 11 18.219 -1.137 0.298 90 HD2 PHE 11 HD2 PHE 11 17.135 -2.164 4.344 91 HE1 PHE 11 HE1 PHE 11 18.856 1.102 1.007 92 HE2 PHE 11 HE2 PHE 11 17.893 0.076 5.095 93 HZ PHE 11 HZ PHE 11 18.766 1.727 3.431 94 H LEU 12 H LEU 12 15.689 -0.955 -0.123 95 HA LEU 12 HA LEU 12 13.385 -0.479 1.570 96 1HB LEU 12 HB2 LEU 12 15.343 1.114 0.157 97 2HB LEU 12 HB3 LEU 12 13.742 1.571 -0.385 98 HG LEU 12 HG LEU 12 13.191 1.441 2.270 99 1HD1 LEU 12 1HD1 LEU 12 15.523 0.544 2.685 100 2HD1 LEU 12 2HD1 LEU 12 16.149 2.130 2.179 101 3HD1 LEU 12 3HD1 LEU 12 15.106 2.006 3.624 102 1HD2 LEU 12 1HD2 LEU 12 14.571 3.637 0.768 103 2HD2 LEU 12 2HD2 LEU 12 12.840 3.231 0.808 104 3HD2 LEU 12 3HD2 LEU 12 13.625 3.837 2.285 105 H TYR 13 H TYR 13 13.961 -1.390 -1.632 106 HA TYR 13 HA TYR 13 11.332 -0.608 -2.661 107 1HB TYR 13 HB2 TYR 13 13.834 -1.804 -3.893 108 2HB TYR 13 HB3 TYR 13 12.421 -1.373 -4.815 109 HD1 TYR 13 HD1 TYR 13 12.456 1.139 -2.406 110 HD2 TYR 13 HD2 TYR 13 14.690 -0.145 -5.856 111 HE1 TYR 13 HE1 TYR 13 13.218 3.405 -2.671 112 HE2 TYR 13 HE2 TYR 13 15.489 2.195 -6.140 113 HH TYR 13 HH TYR 13 14.494 4.855 -3.974 114 H GLU 14 H GLU 14 12.861 -3.584 -1.638 115 HA GLU 14 HA GLU 14 10.631 -5.362 -2.344 116 1HB GLU 14 HB2 GLU 14 13.034 -6.045 -1.817 117 2HB GLU 14 HB3 GLU 14 12.694 -5.668 -0.138 118 1HG GLU 14 HG2 GLU 14 12.468 -8.014 -0.383 119 2HG GLU 14 HG3 GLU 14 10.834 -7.399 -0.200 120 H ALA 15 H ALA 15 11.504 -3.323 0.352 121 HA ALA 15 HA ALA 15 9.747 -4.084 2.443 122 1HB ALA 15 HB1 ALA 15 10.581 -1.278 1.597 123 2HB ALA 15 HB2 ALA 15 10.200 -1.794 3.241 124 3HB ALA 15 HB3 ALA 15 11.699 -2.381 2.450 125 H SER 16 H SER 16 9.270 -2.026 -0.283 126 HA SER 16 HA SER 16 7.412 -0.193 0.503 127 1HB SER 16 HB2 SER 16 8.448 -1.455 -1.988 128 2HB SER 16 HB3 SER 16 6.977 -0.474 -2.197 129 HG SER 16 HG SER 16 8.415 1.072 -2.292 130 H ILE 17 H ILE 17 6.766 -3.405 -0.510 131 HA ILE 17 HA ILE 17 3.814 -3.067 -0.881 132 HB ILE 17 HB ILE 17 6.193 -3.674 -2.601 133 1HG1 ILE 17 2HG1 ILE 17 5.323 -2.532 -4.251 134 2HG1 ILE 17 3HG1 ILE 17 3.730 -3.168 -4.098 135 1HG2 ILE 17 1HG2 ILE 17 5.501 -5.948 -2.628 136 2HG2 ILE 17 2HG2 ILE 17 3.864 -5.498 -3.160 137 3HG2 ILE 17 3HG2 ILE 17 5.268 -5.188 -4.204 138 1HD1 ILE 17 1HD1 ILE 17 4.865 -0.871 -2.498 139 2HD1 ILE 17 2HD1 ILE 17 3.697 -0.783 -3.792 140 3HD1 ILE 17 3HD1 ILE 17 3.221 -1.533 -2.278 141 H ASP 18 H ASP 18 5.736 -4.408 1.181 142 HA ASP 18 HA ASP 18 5.585 -7.276 0.863 143 1HB ASP 18 HB2 ASP 18 7.424 -6.099 2.014 144 2HB ASP 18 HB3 ASP 18 6.328 -5.613 3.302 145 H GLU 19 H GLU 19 3.712 -4.979 2.713 146 HA GLU 19 HA GLU 19 1.680 -7.133 3.289 147 1HB GLU 19 HB2 GLU 19 1.077 -6.120 5.370 148 2HB GLU 19 HB3 GLU 19 2.780 -6.575 5.357 149 1HG GLU 19 HG2 GLU 19 3.422 -4.204 4.968 150 2HG GLU 19 HG3 GLU 19 1.709 -3.745 4.993 151 H PHE 20 H PHE 20 2.024 -3.671 2.514 152 HA PHE 20 HA PHE 20 -0.700 -2.931 2.657 153 1HB PHE 20 HB2 PHE 20 1.653 -1.621 2.240 154 2HB PHE 20 HB3 PHE 20 1.334 -1.941 0.565 155 HD1 PHE 20 HD1 PHE 20 -1.923 -1.429 1.277 156 HD2 PHE 20 HD2 PHE 20 1.788 0.749 1.377 157 HE1 PHE 20 HE1 PHE 20 -3.126 0.579 0.645 158 HE2 PHE 20 HE2 PHE 20 0.562 2.785 0.632 159 HZ PHE 20 HZ PHE 20 -1.866 2.645 0.137 160 H MET 21 H MET 21 1.110 -4.094 -0.229 161 HA MET 21 HA MET 21 -0.982 -3.774 -2.133 162 1HB MET 21 HB2 MET 21 1.504 -5.478 -1.896 163 2HB MET 21 HB3 MET 21 0.358 -5.907 -3.157 164 1HG MET 21 HG2 MET 21 1.522 -3.131 -2.749 165 2HG MET 21 HG3 MET 21 2.114 -4.381 -3.895 166 1HE MET 21 HE1 MET 21 -1.204 -4.648 -6.268 167 2HE MET 21 HE2 MET 21 0.043 -5.655 -5.492 168 3HE MET 21 HE3 MET 21 -1.436 -5.185 -4.603 169 H GLY 22 H GLY 22 -0.366 -6.252 0.233 170 1HA GLY 22 HA2 GLY 22 -2.398 -8.110 -0.747 171 2HA GLY 22 HA3 GLY 22 -1.495 -8.242 0.802 172 H LYS 23 H LYS 23 -2.361 -5.241 1.343 173 HA LYS 23 HA LYS 23 -4.502 -6.089 2.992 174 1HB LYS 23 HB2 LYS 23 -3.771 -4.607 4.442 175 2HB LYS 23 HB3 LYS 23 -2.313 -4.643 3.504 176 1HG LYS 23 HG2 LYS 23 -3.078 -2.756 2.254 177 2HG LYS 23 HG3 LYS 23 -4.500 -2.675 3.163 178 1HD LYS 23 HD2 LYS 23 -1.800 -2.587 4.484 179 2HD LYS 23 HD3 LYS 23 -2.648 -1.094 3.991 180 1HE LYS 23 HE2 LYS 23 -4.518 -1.689 5.504 181 2HE LYS 23 HE3 LYS 23 -3.722 -3.243 5.811 182 1HZ LYS 23 HZ1 LYS 23 -2.641 -0.598 6.599 183 2HZ LYS 23 HZ2 LYS 23 -3.355 -1.663 7.609 184 3HZ LYS 23 HZ3 LYS 23 -1.925 -2.042 6.897 185 H ILE 24 H ILE 24 -3.703 -3.916 0.290 186 HA ILE 24 HA ILE 24 -6.463 -3.256 -0.335 187 HB ILE 24 HB ILE 24 -5.229 -2.635 -2.575 188 1HG1 ILE 24 2HG1 ILE 24 -2.865 -2.406 -0.897 189 2HG1 ILE 24 3HG1 ILE 24 -3.166 -3.431 -2.350 190 1HG2 ILE 24 1HG2 ILE 24 -5.155 -0.419 -1.616 191 2HG2 ILE 24 2HG2 ILE 24 -6.353 -1.201 -0.626 192 3HG2 ILE 24 3HG2 ILE 24 -4.695 -1.048 -0.015 193 1HD1 ILE 24 1HD1 ILE 24 -1.947 -1.797 -3.065 194 2HD1 ILE 24 2HD1 ILE 24 -3.638 -1.512 -3.609 195 3HD1 ILE 24 3HD1 ILE 24 -2.928 -0.588 -2.222 196 H ALA 25 H ALA 25 -4.259 -5.758 -1.579 197 HA ALA 25 HA ALA 25 -6.031 -6.446 -3.756 198 1HB ALA 25 HB1 ALA 25 -3.703 -7.127 -3.885 199 2HB ALA 25 HB2 ALA 25 -3.886 -8.109 -2.402 200 3HB ALA 25 HB3 ALA 25 -4.742 -8.559 -3.888 201 H SER 26 H SER 26 -5.975 -7.063 -0.359 202 HA SER 26 HA SER 26 -8.260 -8.896 -0.589 203 1HB SER 26 HB2 SER 26 -7.708 -9.876 1.394 204 2HB SER 26 HB3 SER 26 -6.134 -9.600 0.693 205 HG SER 26 HG SER 26 -7.457 -8.064 2.703 206 H CYS 27 H CYS 27 -8.294 -5.629 -0.621 207 HA CYS 27 HA CYS 27 -9.327 -5.172 1.944 208 1HB CYS 27 HB2 CYS 27 -9.599 -2.916 1.299 209 2HB CYS 27 HB3 CYS 27 -8.062 -3.520 0.756 210 HG CYS 27 HG CYS 27 -8.687 -3.930 -1.719 211 H GLN 28 H GLN 28 -11.498 -6.079 2.313 212 HA GLN 28 HA GLN 28 -12.928 -7.017 -0.016 213 1HB GLN 28 HB2 GLN 28 -13.598 -7.125 2.932 214 2HB GLN 28 HB3 GLN 28 -14.606 -7.920 1.716 215 1HG GLN 28 HG2 GLN 28 -13.260 -9.711 1.736 216 2HG GLN 28 HG3 GLN 28 -11.856 -8.673 1.370 217 1HE2 GLN 28 2HE2 GLN 28 -10.413 -8.176 2.938 218 2HE2 GLN 28 1HE2 GLN 28 -10.633 -8.563 4.637 219 H THR 29 H THR 29 -12.828 -4.047 0.540 220 HA THR 29 HA THR 29 -15.663 -3.205 0.275 221 HB THR 29 HB THR 29 -15.279 -1.627 2.240 222 HG1 THR 29 HG1 THR 29 -13.157 -3.442 2.639 223 1HG2 THR 29 1HG2 THR 29 -16.113 -3.150 3.958 224 2HG2 THR 29 2HG2 THR 29 -16.869 -3.576 2.403 225 3HG2 THR 29 3HG2 THR 29 -15.542 -4.560 3.055 226 H LEU 30 H LEU 30 -15.751 -1.138 -0.662 227 HA LEU 30 HA LEU 30 -13.150 -0.086 -1.599 228 1HB LEU 30 HB2 LEU 30 -15.446 0.157 -2.880 229 2HB LEU 30 HB3 LEU 30 -15.755 1.375 -1.666 230 HG LEU 30 HG LEU 30 -13.026 1.831 -2.406 231 1HD1 LEU 30 1HD1 LEU 30 -12.844 0.732 -4.221 232 2HD1 LEU 30 2HD1 LEU 30 -14.531 1.003 -4.728 233 3HD1 LEU 30 3HD1 LEU 30 -13.355 2.279 -4.826 234 1HD2 LEU 30 1HD2 LEU 30 -13.762 3.799 -3.354 235 2HD2 LEU 30 2HD2 LEU 30 -15.452 3.116 -3.404 236 3HD2 LEU 30 3HD2 LEU 30 -14.626 3.378 -1.789 237 H GLU 31 H GLU 31 -15.630 0.535 0.714 238 HA GLU 31 HA GLU 31 -14.827 2.941 1.692 239 1HB GLU 31 HB2 GLU 31 -16.862 1.268 2.005 240 2HB GLU 31 HB3 GLU 31 -15.945 0.601 3.361 241 1HG GLU 31 HG2 GLU 31 -15.709 2.835 4.162 242 2HG GLU 31 HG3 GLU 31 -16.921 3.465 3.022 243 H GLY 32 H GLY 32 -13.744 -0.280 2.435 244 1HA GLY 32 HA2 GLY 32 -11.724 0.577 4.320 245 2HA GLY 32 HA3 GLY 32 -11.875 -1.077 3.660 246 H LEU 33 H LEU 33 -11.639 -0.178 0.916 247 HA LEU 33 HA LEU 33 -8.849 -0.044 0.451 248 1HB LEU 33 HB2 LEU 33 -10.610 -0.611 -1.235 249 2HB LEU 33 HB3 LEU 33 -11.287 0.914 -1.158 250 HG LEU 33 HG LEU 33 -9.226 2.039 -2.038 251 1HD1 LEU 33 1HD1 LEU 33 -7.591 0.611 -3.146 252 2HD1 LEU 33 2HD1 LEU 33 -7.523 0.654 -1.374 253 3HD1 LEU 33 3HD1 LEU 33 -8.207 -0.772 -2.246 254 1HD2 LEU 33 1HD2 LEU 33 -10.350 -0.122 -3.749 255 2HD2 LEU 33 2HD2 LEU 33 -10.997 1.509 -3.438 256 3HD2 LEU 33 3HD2 LEU 33 -9.440 1.312 -4.250 257 H GLU 34 H GLU 34 -11.277 2.360 0.470 258 HA GLU 34 HA GLU 34 -9.873 4.720 0.100 259 1HB GLU 34 HB2 GLU 34 -12.485 3.907 1.204 260 2HB GLU 34 HB3 GLU 34 -12.047 5.631 1.302 261 1HG GLU 34 HG2 GLU 34 -12.108 4.001 -1.341 262 2HG GLU 34 HG3 GLU 34 -13.415 4.919 -0.609 263 H GLU 35 H GLU 35 -10.556 2.894 2.982 264 HA GLU 35 HA GLU 35 -9.595 4.862 4.998 265 1HB GLU 35 HB2 GLU 35 -10.136 1.874 5.217 266 2HB GLU 35 HB3 GLU 35 -9.442 2.808 6.524 267 1HG GLU 35 HG2 GLU 35 -11.979 3.759 5.278 268 2HG GLU 35 HG3 GLU 35 -12.036 2.350 6.360 269 H LEU 36 H LEU 36 -8.356 1.807 3.579 270 HA LEU 36 HA LEU 36 -5.735 2.114 4.294 271 1HB LEU 36 HB2 LEU 36 -6.884 0.779 1.863 272 2HB LEU 36 HB3 LEU 36 -5.197 0.708 2.284 273 HG LEU 36 HG LEU 36 -5.375 -0.598 3.970 274 1HD1 LEU 36 1HD1 LEU 36 -7.014 -1.154 5.562 275 2HD1 LEU 36 2HD1 LEU 36 -6.697 0.585 5.596 276 3HD1 LEU 36 3HD1 LEU 36 -8.186 -0.045 4.846 277 1HD2 LEU 36 1HD2 LEU 36 -6.866 -2.433 3.518 278 2HD2 LEU 36 2HD2 LEU 36 -7.985 -1.322 2.677 279 3HD2 LEU 36 3HD2 LEU 36 -6.381 -1.669 1.984 280 H GLU 37 H GLU 37 -7.366 3.571 1.413 281 HA GLU 37 HA GLU 37 -5.276 4.782 0.306 282 1HB GLU 37 HB2 GLU 37 -7.578 4.634 -0.456 283 2HB GLU 37 HB3 GLU 37 -8.057 6.035 0.440 284 1HG GLU 37 HG2 GLU 37 -5.677 6.092 -1.369 285 2HG GLU 37 HG3 GLU 37 -7.263 6.042 -2.161 286 H ALA 38 H ALA 38 -7.454 5.974 2.828 287 HA ALA 38 HA ALA 38 -6.042 8.347 3.224 288 1HB ALA 38 HB1 ALA 38 -7.752 6.789 5.251 289 2HB ALA 38 HB2 ALA 38 -7.261 8.479 5.419 290 3HB ALA 38 HB3 ALA 38 -8.347 7.996 4.102 291 H TYR 39 H TYR 39 -5.684 5.079 4.877 292 HA TYR 39 HA TYR 39 -3.825 5.973 6.785 293 1HB TYR 39 HB2 TYR 39 -4.289 3.862 7.455 294 2HB TYR 39 HB3 TYR 39 -4.848 3.412 5.849 295 HD1 TYR 39 HD1 TYR 39 -1.867 3.388 8.085 296 HD2 TYR 39 HD2 TYR 39 -3.484 2.233 4.254 297 HE1 TYR 39 HE1 TYR 39 0.180 2.080 7.591 298 HE2 TYR 39 HE2 TYR 39 -1.419 1.038 3.723 299 HH TYR 39 HH TYR 39 1.292 0.784 6.073 300 H TYR 40 H TYR 40 -3.312 4.822 3.472 301 HA TYR 40 HA TYR 40 -0.478 4.884 3.201 302 1HB TYR 40 HB2 TYR 40 -2.149 4.009 1.670 303 2HB TYR 40 HB3 TYR 40 -2.869 5.578 1.452 304 HD1 TYR 40 HD1 TYR 40 0.767 5.902 1.170 305 HD2 TYR 40 HD2 TYR 40 -2.897 4.774 -0.835 306 HE1 TYR 40 HE1 TYR 40 1.795 6.390 -1.028 307 HE2 TYR 40 HE2 TYR 40 -1.830 5.175 -3.011 308 HH TYR 40 HH TYR 40 1.367 6.692 -3.321 309 H LYS 41 H LYS 41 -2.896 7.501 2.403 310 HA LYS 41 HA LYS 41 -0.970 9.474 1.979 311 1HB LYS 41 HB2 LYS 41 -3.763 9.808 2.929 312 2HB LYS 41 HB3 LYS 41 -2.773 11.094 2.231 313 1HG LYS 41 HG2 LYS 41 -2.956 8.575 0.573 314 2HG LYS 41 HG3 LYS 41 -4.436 9.435 0.865 315 1HD LYS 41 HD2 LYS 41 -3.524 10.214 -1.195 316 2HD LYS 41 HD3 LYS 41 -3.286 11.543 -0.032 317 1HE LYS 41 HE2 LYS 41 -1.047 10.236 0.369 318 2HE LYS 41 HE3 LYS 41 -1.328 9.514 -1.206 319 1HZ LYS 41 HZ1 LYS 41 0.026 11.493 -1.436 320 2HZ LYS 41 HZ2 LYS 41 -1.411 11.770 -2.155 321 3HZ LYS 41 HZ3 LYS 41 -1.085 12.435 -0.693 322 H LYS 42 H LYS 42 -2.479 8.541 5.079 323 HA LYS 42 HA LYS 42 -1.656 10.603 6.811 324 1HB LYS 42 HB2 LYS 42 -2.579 7.717 6.893 325 2HB LYS 42 HB3 LYS 42 -2.296 8.538 8.340 326 1HG LYS 42 HG2 LYS 42 -4.220 9.570 6.262 327 2HG LYS 42 HG3 LYS 42 -4.689 8.441 7.555 328 1HD LYS 42 HD2 LYS 42 -4.249 10.167 9.231 329 2HD LYS 42 HD3 LYS 42 -3.551 11.215 7.975 330 1HE LYS 42 HE2 LYS 42 -5.767 10.839 6.686 331 2HE LYS 42 HE3 LYS 42 -6.435 10.238 8.215 332 1HZ LYS 42 HZ1 LYS 42 -5.326 12.937 7.807 333 2HZ LYS 42 HZ2 LYS 42 -6.906 12.578 7.952 334 3HZ LYS 42 HZ3 LYS 42 -5.913 12.355 9.231 335 H ARG 43 H ARG 43 -0.244 7.438 5.926 336 HA ARG 43 HA ARG 43 1.948 7.513 7.780 337 1HB ARG 43 HB2 ARG 43 1.057 5.442 6.916 338 2HB ARG 43 HB3 ARG 43 1.308 5.947 5.244 339 1HG ARG 43 HG2 ARG 43 3.725 5.920 5.548 340 2HG ARG 43 HG3 ARG 43 3.533 5.415 7.244 341 1HD ARG 43 HD2 ARG 43 4.089 3.481 5.938 342 2HD ARG 43 HD3 ARG 43 2.426 3.329 6.484 343 HE ARG 43 HE ARG 43 1.623 3.668 4.299 344 1HH1 ARG 43 2HH1 ARG 43 5.172 3.532 4.215 345 2HH1 ARG 43 1HH1 ARG 43 5.114 3.206 2.477 346 1HH2 ARG 43 1HH2 ARG 43 1.798 3.283 2.101 347 2HH2 ARG 43 2HH2 ARG 43 3.404 3.084 1.406 348 H VAL 44 H VAL 44 1.760 8.412 4.320 349 HA VAL 44 HA VAL 44 4.277 8.254 3.540 350 HB VAL 44 HB VAL 44 1.863 10.011 2.988 351 1HG1 VAL 44 1HG1 VAL 44 2.618 10.619 0.832 352 2HG1 VAL 44 2HG1 VAL 44 3.552 11.440 2.104 353 3HG1 VAL 44 3HG1 VAL 44 4.286 10.058 1.215 354 1HG2 VAL 44 1HG2 VAL 44 1.660 8.474 1.158 355 2HG2 VAL 44 2HG2 VAL 44 3.356 7.949 1.411 356 3HG2 VAL 44 3HG2 VAL 44 2.181 7.495 2.566 357 H LYS 45 H LYS 45 2.954 10.955 5.254 358 HA LYS 45 HA LYS 45 5.274 12.633 5.132 359 1HB LYS 45 HB2 LYS 45 3.838 14.161 6.375 360 2HB LYS 45 HB3 LYS 45 2.898 13.270 5.171 361 1HG LYS 45 HG2 LYS 45 2.451 11.559 7.119 362 2HG LYS 45 HG3 LYS 45 3.091 12.858 8.150 363 1HD LYS 45 HD2 LYS 45 0.728 13.018 8.267 364 2HD LYS 45 HD3 LYS 45 1.202 14.352 7.215 365 1HE LYS 45 HE2 LYS 45 0.766 11.652 5.930 366 2HE LYS 45 HE3 LYS 45 -0.689 12.422 6.643 367 1HZ LYS 45 HZ1 LYS 45 -0.385 14.325 5.267 368 2HZ LYS 45 HZ2 LYS 45 1.016 13.756 4.622 369 3HZ LYS 45 HZ3 LYS 45 -0.402 12.993 4.312 370 H GLU 46 H GLU 46 4.068 10.291 7.344 371 HA GLU 46 HA GLU 46 5.463 10.912 9.843 372 1HB GLU 46 HB2 GLU 46 3.139 9.958 9.499 373 2HB GLU 46 HB3 GLU 46 4.009 8.449 9.164 374 1HG GLU 46 HG2 GLU 46 3.310 8.581 11.455 375 2HG GLU 46 HG3 GLU 46 5.057 8.500 11.332 376 H THR 47 H THR 47 6.173 9.363 6.936 377 HA THR 47 HA THR 47 8.716 8.437 8.007 378 HB THR 47 HB THR 47 7.528 6.461 8.419 379 HG1 THR 47 HG1 THR 47 8.613 4.999 7.332 380 1HG2 THR 47 1HG2 THR 47 6.367 5.137 6.665 381 2HG2 THR 47 2HG2 THR 47 5.564 6.637 7.131 382 3HG2 THR 47 3HG2 THR 47 6.436 6.555 5.592 383 H GLU 48 H GLU 48 8.315 6.970 4.948 384 HA GLU 48 HA GLU 48 9.487 9.108 3.421 385 1HB GLU 48 HB2 GLU 48 11.673 7.981 3.118 386 2HB GLU 48 HB3 GLU 48 11.419 8.908 4.619 387 1HG GLU 48 HG2 GLU 48 10.947 6.984 5.883 388 2HG GLU 48 HG3 GLU 48 10.708 6.062 4.391 389 H LEU 49 H LEU 49 7.359 7.910 2.789 390 HA LEU 49 HA LEU 49 7.492 5.780 0.920 391 1HB LEU 49 HB2 LEU 49 5.362 6.723 1.583 392 2HB LEU 49 HB3 LEU 49 5.809 8.314 1.026 393 HG LEU 49 HG LEU 49 4.114 7.424 -0.357 394 1HD1 LEU 49 1HD1 LEU 49 5.919 8.961 -1.185 395 2HD1 LEU 49 2HD1 LEU 49 6.457 7.561 -2.162 396 3HD1 LEU 49 3HD1 LEU 49 4.820 8.179 -2.327 397 1HD2 LEU 49 1HD2 LEU 49 4.655 5.099 -0.040 398 2HD2 LEU 49 2HD2 LEU 49 4.254 5.543 -1.681 399 3HD2 LEU 49 3HD2 LEU 49 5.964 5.249 -1.247 400 H LYS 50 H LYS 50 8.731 5.426 -0.493 401 HA LYS 50 HA LYS 50 10.232 7.422 -2.082 402 1HB LYS 50 HB2 LYS 50 11.645 5.630 -2.619 403 2HB LYS 50 HB3 LYS 50 11.248 5.305 -0.999 404 1HG LYS 50 HG2 LYS 50 9.288 3.890 -2.563 405 2HG LYS 50 HG3 LYS 50 10.870 3.691 -3.334 406 1HD LYS 50 HD2 LYS 50 10.581 1.928 -1.750 407 2HD LYS 50 HD3 LYS 50 11.775 3.075 -1.097 408 1HE LYS 50 HE2 LYS 50 10.133 4.132 0.268 409 2HE LYS 50 HE3 LYS 50 8.818 3.121 -0.404 410 1HZ LYS 50 HZ1 LYS 50 10.976 2.161 1.363 411 2HZ LYS 50 HZ2 LYS 50 9.360 2.160 1.660 412 3HZ LYS 50 HZ3 LYS 50 9.990 1.166 0.500 413 H ASP 51 H ASP 51 10.376 6.769 -4.480 414 HA ASP 51 HA ASP 51 7.784 7.160 -5.673 415 1HB ASP 51 HB2 ASP 51 10.289 6.009 -6.952 416 2HB ASP 51 HB3 ASP 51 8.883 6.626 -7.827 417 H THR 52 H THR 52 9.727 4.242 -5.223 418 HA THR 52 HA THR 52 8.406 2.412 -6.845 419 HB THR 52 HB THR 52 9.585 2.071 -4.108 420 HG1 THR 52 HG1 THR 52 10.964 1.836 -6.563 421 1HG2 THR 52 1HG2 THR 52 9.427 0.025 -6.382 422 2HG2 THR 52 2HG2 THR 52 10.409 -0.180 -4.920 423 3HG2 THR 52 3HG2 THR 52 8.662 -0.097 -4.769 424 H ASP 53 H ASP 53 7.695 3.091 -3.357 425 HA ASP 53 HA ASP 53 5.622 1.045 -3.187 426 1HB ASP 53 HB2 ASP 53 6.479 1.457 -1.121 427 2HB ASP 53 HB3 ASP 53 6.713 3.178 -1.355 428 H ASP 54 H ASP 54 5.773 4.522 -3.755 429 HA ASP 54 HA ASP 54 3.026 5.073 -3.456 430 1HB ASP 54 HB2 ASP 54 5.155 6.535 -3.789 431 2HB ASP 54 HB3 ASP 54 4.875 6.380 -5.482 432 H ILE 55 H ILE 55 4.850 4.124 -6.361 433 HA ILE 55 HA ILE 55 2.478 4.464 -8.090 434 HB ILE 55 HB ILE 55 4.569 2.827 -9.364 435 1HG1 ILE 55 2HG1 ILE 55 5.757 5.331 -9.757 436 2HG1 ILE 55 3HG1 ILE 55 5.426 5.299 -8.053 437 1HG2 ILE 55 1HG2 ILE 55 2.602 3.734 -10.510 438 2HG2 ILE 55 2HG2 ILE 55 3.151 5.389 -10.163 439 3HG2 ILE 55 3HG2 ILE 55 4.105 4.323 -11.221 440 1HD1 ILE 55 1HD1 ILE 55 6.498 2.958 -7.975 441 2HD1 ILE 55 2HD1 ILE 55 6.870 3.130 -9.697 442 3HD1 ILE 55 3HD1 ILE 55 7.647 4.220 -8.546 443 H SER 56 H SER 56 4.343 1.752 -6.746 444 HA SER 56 HA SER 56 2.988 -0.217 -8.295 445 1HB SER 56 HB2 SER 56 4.743 -0.111 -5.902 446 2HB SER 56 HB3 SER 56 3.744 -1.552 -6.004 447 HG SER 56 HG SER 56 5.653 -0.590 -7.878 448 H VAL 57 H VAL 57 2.462 1.006 -5.117 449 HA VAL 57 HA VAL 57 0.199 -0.679 -4.486 450 HB VAL 57 HB VAL 57 2.078 0.528 -2.963 451 1HG1 VAL 57 1HG1 VAL 57 1.165 2.708 -3.225 452 2HG1 VAL 57 2HG1 VAL 57 -0.394 2.116 -2.474 453 3HG1 VAL 57 3HG1 VAL 57 1.149 2.083 -1.559 454 1HG2 VAL 57 1HG2 VAL 57 0.415 -1.334 -2.431 455 2HG2 VAL 57 2HG2 VAL 57 0.899 -0.245 -1.127 456 3HG2 VAL 57 3HG2 VAL 57 -0.693 -0.041 -1.905 457 H ARG 58 H ARG 58 0.627 2.852 -5.219 458 HA ARG 58 HA ARG 58 -2.116 3.375 -5.079 459 1HB ARG 58 HB2 ARG 58 -0.401 5.066 -5.609 460 2HB ARG 58 HB3 ARG 58 -0.337 4.553 -7.274 461 1HG ARG 58 HG2 ARG 58 -1.705 6.472 -7.140 462 2HG ARG 58 HG3 ARG 58 -2.804 5.138 -7.471 463 1HD ARG 58 HD2 ARG 58 -3.348 5.101 -4.995 464 2HD ARG 58 HD3 ARG 58 -2.286 6.523 -4.816 465 HE ARG 58 HE ARG 58 -4.334 6.934 -6.819 466 1HH1 ARG 58 1HH1 ARG 58 -3.794 7.019 -3.337 467 2HH1 ARG 58 2HH1 ARG 58 -5.232 8.002 -3.074 468 1HH2 ARG 58 1HH2 ARG 58 -6.101 8.265 -6.356 469 2HH2 ARG 58 2HH2 ARG 58 -6.397 8.730 -4.688 470 H ASP 59 H ASP 59 -0.254 2.181 -7.862 471 HA ASP 59 HA ASP 59 -2.422 2.511 -9.644 472 1HB ASP 59 HB2 ASP 59 -0.078 2.206 -10.293 473 2HB ASP 59 HB3 ASP 59 -0.162 0.497 -9.839 474 H ALA 60 H ALA 60 -1.862 0.186 -7.345 475 HA ALA 60 HA ALA 60 -3.525 -2.059 -8.195 476 1HB ALA 60 HB1 ALA 60 -2.682 -3.052 -6.096 477 2HB ALA 60 HB2 ALA 60 -1.365 -2.567 -7.208 478 3HB ALA 60 HB3 ALA 60 -1.731 -1.583 -5.780 479 H LEU 61 H LEU 61 -3.301 0.363 -5.575 480 HA LEU 61 HA LEU 61 -5.681 -0.162 -4.228 481 1HB LEU 61 HB2 LEU 61 -3.523 0.957 -3.617 482 2HB LEU 61 HB3 LEU 61 -3.960 2.322 -4.627 483 HG LEU 61 HG LEU 61 -5.791 1.427 -2.544 484 1HD1 LEU 61 1HD1 LEU 61 -3.209 2.801 -1.899 485 2HD1 LEU 61 2HD1 LEU 61 -4.558 2.618 -0.729 486 3HD1 LEU 61 3HD1 LEU 61 -3.740 1.183 -1.400 487 1HD2 LEU 61 1HD2 LEU 61 -6.366 3.432 -3.890 488 2HD2 LEU 61 2HD2 LEU 61 -6.234 3.783 -2.165 489 3HD2 LEU 61 3HD2 LEU 61 -4.911 4.246 -3.262 490 H ALA 62 H ALA 62 -4.821 2.505 -6.485 491 HA ALA 62 HA ALA 62 -7.503 3.067 -7.247 492 1HB ALA 62 HB1 ALA 62 -5.588 4.598 -7.726 493 2HB ALA 62 HB2 ALA 62 -4.998 3.432 -8.935 494 3HB ALA 62 HB3 ALA 62 -6.551 4.238 -9.176 495 H GLY 63 H GLY 63 -5.484 0.485 -8.067 496 1HA GLY 63 HA2 GLY 63 -6.433 -0.651 -10.443 497 2HA GLY 63 HA3 GLY 63 -5.711 -1.469 -9.114 498 H LYS 64 H LYS 64 -7.071 -1.136 -7.002 499 HA LYS 64 HA LYS 64 -9.357 -2.816 -7.274 500 1HB LYS 64 HB2 LYS 64 -7.462 -2.459 -5.265 501 2HB LYS 64 HB3 LYS 64 -8.840 -1.598 -4.631 502 1HG LYS 64 HG2 LYS 64 -9.463 -3.692 -3.892 503 2HG LYS 64 HG3 LYS 64 -10.133 -3.815 -5.501 504 1HD LYS 64 HD2 LYS 64 -8.107 -4.943 -6.351 505 2HD LYS 64 HD3 LYS 64 -7.332 -4.727 -4.791 506 1HE LYS 64 HE2 LYS 64 -8.045 -6.980 -4.868 507 2HE LYS 64 HE3 LYS 64 -9.088 -6.147 -3.724 508 1HZ LYS 64 HZ1 LYS 64 -9.800 -6.793 -6.532 509 2HZ LYS 64 HZ2 LYS 64 -10.286 -7.635 -5.210 510 3HZ LYS 64 HZ3 LYS 64 -10.807 -6.105 -5.434 511 H ARG 65 H ARG 65 -8.993 0.654 -6.783 512 HA ARG 65 HA ARG 65 -11.394 1.094 -5.563 513 1HB ARG 65 HB2 ARG 65 -9.320 2.565 -6.306 514 2HB ARG 65 HB3 ARG 65 -10.390 3.075 -7.558 515 1HG ARG 65 HG2 ARG 65 -11.654 4.431 -5.988 516 2HG ARG 65 HG3 ARG 65 -11.604 3.154 -4.859 517 1HD ARG 65 HD2 ARG 65 -9.424 3.669 -4.074 518 2HD ARG 65 HD3 ARG 65 -9.000 4.534 -5.536 519 HE ARG 65 HE ARG 65 -10.328 5.618 -3.173 520 1HH1 ARG 65 2HH2 ARG 65 -9.907 6.283 -6.630 521 2HH1 ARG 65 1HH2 ARG 65 -10.275 7.971 -6.383 522 1HH2 ARG 65 1HH1 ARG 65 -10.791 7.639 -2.991 523 2HH2 ARG 65 2HH1 ARG 65 -10.761 8.749 -4.359 524 H ALA 66 H ALA 66 -10.759 0.885 -8.966 525 HA ALA 66 HA ALA 66 -13.480 1.459 -9.855 526 1HB ALA 66 HB1 ALA 66 -11.394 -0.306 -11.162 527 2HB ALA 66 HB2 ALA 66 -12.880 0.306 -11.910 528 3HB ALA 66 HB3 ALA 66 -11.585 1.456 -11.455 529 H GLU 67 H GLU 67 -11.931 -1.482 -8.568 530 HA GLU 67 HA GLU 67 -13.770 -3.454 -9.650 531 1HB GLU 67 HB2 GLU 67 -11.989 -3.593 -7.235 532 2HB GLU 67 HB3 GLU 67 -12.684 -4.933 -8.139 533 1HG GLU 67 HG2 GLU 67 -10.607 -2.951 -9.212 534 2HG GLU 67 HG3 GLU 67 -10.355 -4.467 -8.401 535 H LEU 68 H LEU 68 -13.182 -1.532 -6.847 536 HA LEU 68 HA LEU 68 -14.960 -2.943 -5.054 537 1HB LEU 68 HB2 LEU 68 -12.722 -1.150 -4.842 538 2HB LEU 68 HB3 LEU 68 -13.969 -1.101 -3.561 539 HG LEU 68 HG LEU 68 -12.453 -3.565 -4.569 540 1HD1 LEU 68 1HD1 LEU 68 -11.569 -3.439 -2.383 541 2HD1 LEU 68 2HD1 LEU 68 -11.204 -2.034 -3.452 542 3HD1 LEU 68 3HD1 LEU 68 -12.434 -1.880 -2.150 543 1HD2 LEU 68 1HD2 LEU 68 -13.464 -4.404 -2.250 544 2HD2 LEU 68 2HD2 LEU 68 -14.461 -2.941 -2.300 545 3HD2 LEU 68 3HD2 LEU 68 -14.701 -4.253 -3.496 546 H GLU 69 H GLU 69 -14.855 -0.027 -6.841 547 HA GLU 69 HA GLU 69 -17.174 1.322 -5.963 548 1HB GLU 69 HB2 GLU 69 -15.091 1.331 -8.144 549 2HB GLU 69 HB3 GLU 69 -16.460 1.935 -8.540 550 1HG GLU 69 HG2 GLU 69 -16.345 3.517 -6.387 551 2HG GLU 69 HG3 GLU 69 -14.737 2.875 -6.237 552 H ASP 70 H ASP 70 -16.429 -1.126 -8.315 553 HA ASP 70 HA ASP 70 -19.196 -1.320 -9.423 554 1HB ASP 70 HB2 ASP 70 -16.994 -2.329 -10.468 555 2HB ASP 70 HB3 ASP 70 -17.258 -3.639 -9.362 556 H SER 71 H SER 71 -17.237 -2.356 -6.740 557 HA SER 71 HA SER 71 -19.309 -4.263 -5.901 558 1HB SER 71 HB2 SER 71 -16.858 -4.842 -5.837 559 2HB SER 71 HB3 SER 71 -16.711 -3.758 -4.433 560 HG SER 71 HG SER 71 -18.327 -5.024 -3.421 561 H ASP 72 H ASP 72 -19.788 -1.331 -5.745 562 HA ASP 72 HA ASP 72 -19.323 0.040 -3.420 563 1HB ASP 72 HB2 ASP 72 -20.159 0.987 -5.497 564 2HB ASP 72 HB3 ASP 72 -21.730 0.208 -5.251 565 H ASP 73 H ASP 73 -21.515 -2.591 -3.614 566 HA ASP 73 HA ASP 73 -23.697 -2.332 -2.072 567 1HB ASP 73 HB2 ASP 73 -21.620 -4.558 -2.006 568 2HB ASP 73 HB3 ASP 73 -23.323 -4.695 -1.595 569 H GLU 74 H GLU 74 -24.258 -2.008 -0.010 570 HA GLU 74 HA GLU 74 -22.103 -1.407 1.949 571 1HB GLU 74 HB2 GLU 74 -24.825 -0.126 1.726 572 2HB GLU 74 HB3 GLU 74 -23.551 0.295 2.873 573 1HG GLU 74 HG2 GLU 74 -22.020 0.733 0.854 574 2HG GLU 74 HG3 GLU 74 -23.424 0.498 -0.155 575 H VAL 75 H VAL 75 -22.514 -1.520 4.184 576 HA VAL 75 HA VAL 75 -23.081 -4.009 5.139 577 HB VAL 75 HB VAL 75 -23.405 -1.450 6.752 578 1HG1 VAL 75 1HG1 VAL 75 -24.411 -3.327 7.999 579 2HG1 VAL 75 2HG1 VAL 75 -23.003 -4.346 7.647 580 3HG1 VAL 75 3HG1 VAL 75 -22.836 -2.930 8.700 581 1HG2 VAL 75 1HG2 VAL 75 -21.161 -1.655 5.717 582 2HG2 VAL 75 2HG2 VAL 75 -21.073 -1.931 7.458 583 3HG2 VAL 75 3HG2 VAL 75 -21.023 -3.315 6.356 584 H GLU 76 H GLU 76 -24.649 -5.216 5.635 585 HA GLU 76 HA GLU 76 -26.540 -6.198 6.137 586 1HB GLU 76 HB2 GLU 76 -27.671 -5.531 7.917 587 2HB GLU 76 HB3 GLU 76 -26.397 -4.354 8.026 588 1HG GLU 76 HG2 GLU 76 -27.839 -2.629 7.012 589 2HG GLU 76 HG3 GLU 76 -29.105 -3.825 6.729 590 H GLU 77 H GLU 77 -26.979 -3.334 4.303 591 HA GLU 77 HA GLU 77 -29.724 -3.851 3.363 592 1HB GLU 77 HB2 GLU 77 -27.562 -2.017 2.242 593 2HB GLU 77 HB3 GLU 77 -29.246 -2.085 1.694 594 1HG GLU 77 HG2 GLU 77 -29.970 -1.496 4.028 595 2HG GLU 77 HG3 GLU 77 -28.259 -1.250 4.446 596 H SER 78 H SER 78 -26.452 -4.399 2.233 597 HA SER 78 HA SER 78 -27.413 -6.668 0.700 598 1HB SER 78 HB2 SER 78 -26.148 -5.918 -1.412 599 2HB SER 78 HB3 SER 78 -27.589 -4.991 -1.028 600 HG SER 78 HG SER 78 -26.177 -3.484 0.057 601 H PHE 79 H PHE 79 -25.342 -5.813 2.966 602 HA PHE 79 HA PHE 79 -23.274 -7.760 2.171 603 1HB PHE 79 HB2 PHE 79 -22.468 -5.534 1.476 604 2HB PHE 79 HB3 PHE 79 -22.636 -4.957 3.117 605 HD1 PHE 79 HD2 PHE 79 -20.877 -7.521 1.023 606 HD2 PHE 79 HD1 PHE 79 -20.831 -5.174 4.635 607 HE1 PHE 79 HE2 PHE 79 -18.540 -8.254 1.478 608 HE2 PHE 79 HE1 PHE 79 -18.493 -5.894 5.083 609 HZ PHE 79 HZ PHE 79 -17.350 -7.440 3.506 Start of MODEL 8 1 1H GLY 1 H1 GLY 1 24.824 -8.459 14.592 2 2H GLY 1 H2 GLY 1 24.451 -7.790 16.044 3 3H GLY 1 H3 GLY 1 24.955 -9.338 15.963 4 1HA GLY 1 HA2 GLY 1 26.737 -7.951 16.787 5 2HA GLY 1 HA3 GLY 1 27.148 -8.679 15.226 6 H SER 2 H SER 2 28.084 -7.295 13.874 7 HA SER 2 HA SER 2 27.239 -4.436 13.764 8 1HB SER 2 HB2 SER 2 29.621 -3.793 13.697 9 2HB SER 2 HB3 SER 2 29.193 -4.613 15.202 10 HG SER 2 HG SER 2 31.157 -5.395 14.318 11 H HIS 3 H HIS 3 27.107 -7.012 11.921 12 HA HIS 3 HA HIS 3 28.503 -6.401 9.493 13 1HB HIS 3 HB2 HIS 3 27.103 -8.116 8.525 14 2HB HIS 3 HB3 HIS 3 27.676 -8.631 10.101 15 HD2 HIS 3 HD2 HIS 3 24.493 -8.017 8.139 16 HE1 HIS 3 HE1 HIS 3 23.199 -8.910 12.099 17 HE2 HIS 3 HE2 HIS 3 22.446 -8.579 9.699 18 H MET 4 H MET 4 27.524 -5.867 7.431 19 HA MET 4 HA MET 4 25.144 -4.074 7.422 20 1HB MET 4 HB2 MET 4 27.952 -3.376 6.450 21 2HB MET 4 HB3 MET 4 26.508 -2.489 5.956 22 1HG MET 4 HG2 MET 4 27.450 -2.757 8.829 23 2HG MET 4 HG3 MET 4 27.759 -1.384 7.771 24 1HE MET 4 HE1 MET 4 26.825 0.166 9.743 25 2HE MET 4 HE2 MET 4 25.205 -0.018 10.450 26 3HE MET 4 HE3 MET 4 26.433 -1.276 10.714 27 H LEU 5 H LEU 5 24.366 -3.574 5.315 28 HA LEU 5 HA LEU 5 24.003 -6.016 3.801 29 1HB LEU 5 HB2 LEU 5 22.895 -3.256 3.407 30 2HB LEU 5 HB3 LEU 5 22.361 -4.731 2.606 31 HG LEU 5 HG LEU 5 22.112 -4.019 5.560 32 1HD1 LEU 5 1HD1 LEU 5 20.176 -4.905 3.419 33 2HD1 LEU 5 2HD1 LEU 5 19.755 -4.379 5.072 34 3HD1 LEU 5 3HD1 LEU 5 20.453 -3.215 3.925 35 1HD2 LEU 5 1HD2 LEU 5 21.582 -6.743 4.291 36 2HD2 LEU 5 2HD2 LEU 5 22.742 -6.390 5.589 37 3HD2 LEU 5 3HD2 LEU 5 21.012 -6.226 5.893 38 H LEU 6 H LEU 6 26.150 -3.373 3.333 39 HA LEU 6 HA LEU 6 27.415 -2.492 1.743 40 1HB LEU 6 HB2 LEU 6 28.256 -4.810 1.652 41 2HB LEU 6 HB3 LEU 6 27.161 -5.149 0.313 42 HG LEU 6 HG LEU 6 28.342 -3.525 -1.112 43 1HD1 LEU 6 1HD1 LEU 6 29.193 -1.917 0.533 44 2HD1 LEU 6 2HD1 LEU 6 30.209 -3.178 1.271 45 3HD1 LEU 6 3HD1 LEU 6 30.537 -2.618 -0.380 46 1HD2 LEU 6 1HD2 LEU 6 29.047 -5.874 -1.063 47 2HD2 LEU 6 2HD2 LEU 6 30.412 -4.803 -1.378 48 3HD2 LEU 6 3HD2 LEU 6 30.203 -5.516 0.237 49 H GLU 7 H GLU 7 24.345 -3.574 0.690 50 HA GLU 7 HA GLU 7 24.061 -1.269 -1.208 51 1HB GLU 7 HB2 GLU 7 22.842 -4.043 -1.504 52 2HB GLU 7 HB3 GLU 7 22.475 -2.623 -2.512 53 1HG GLU 7 HG2 GLU 7 24.873 -2.526 -3.185 54 2HG GLU 7 HG3 GLU 7 25.170 -4.015 -2.274 55 H PHE 8 H PHE 8 23.609 -0.386 0.945 56 HA PHE 8 HA PHE 8 21.824 -1.328 2.779 57 1HB PHE 8 HB2 PHE 8 21.961 0.761 3.883 58 2HB PHE 8 HB3 PHE 8 23.510 0.448 3.117 59 HD1 PHE 8 HD2 PHE 8 24.253 1.802 1.143 60 HD2 PHE 8 HD1 PHE 8 20.531 2.619 3.167 61 HE1 PHE 8 HE2 PHE 8 24.101 3.995 -0.007 62 HE2 PHE 8 HE1 PHE 8 20.380 4.807 2.005 63 HZ PHE 8 HZ PHE 8 22.160 5.490 0.396 64 H LYS 9 H LYS 9 20.825 0.589 -0.018 65 HA LYS 9 HA LYS 9 18.386 1.620 0.949 66 1HB LYS 9 HB2 LYS 9 19.691 2.361 -1.031 67 2HB LYS 9 HB3 LYS 9 19.141 0.926 -1.911 68 1HG LYS 9 HG2 LYS 9 16.798 1.707 -1.739 69 2HG LYS 9 HG3 LYS 9 17.310 3.066 -0.722 70 1HD LYS 9 HD2 LYS 9 16.921 3.897 -2.944 71 2HD LYS 9 HD3 LYS 9 18.667 3.942 -2.646 72 1HE LYS 9 HE2 LYS 9 18.911 1.813 -3.929 73 2HE LYS 9 HE3 LYS 9 17.170 1.794 -4.219 74 1HZ LYS 9 HZ1 LYS 9 17.422 3.895 -5.412 75 2HZ LYS 9 HZ2 LYS 9 19.039 3.889 -5.146 76 3HZ LYS 9 HZ3 LYS 9 18.360 2.736 -6.091 77 H GLN 10 H GLN 10 19.023 -1.580 -0.237 78 HA GLN 10 HA GLN 10 16.701 -2.074 -1.640 79 1HB GLN 10 HB2 GLN 10 19.030 -3.652 -0.617 80 2HB GLN 10 HB3 GLN 10 17.605 -4.635 -0.824 81 1HG GLN 10 HG2 GLN 10 18.815 -4.676 -2.912 82 2HG GLN 10 HG3 GLN 10 17.242 -3.863 -3.024 83 1HE2 GLN 10 2HE2 GLN 10 17.894 -2.871 -5.002 84 2HE2 GLN 10 1HE2 GLN 10 19.023 -1.513 -4.985 85 H PHE 11 H PHE 11 17.209 -2.686 1.677 86 HA PHE 11 HA PHE 11 15.009 -4.291 2.306 87 1HB PHE 11 HB2 PHE 11 15.185 -3.626 4.516 88 2HB PHE 11 HB3 PHE 11 16.813 -3.559 3.846 89 HD1 PHE 11 HD1 PHE 11 17.018 -0.892 2.645 90 HD2 PHE 11 HD2 PHE 11 15.120 -2.101 6.321 91 HE1 PHE 11 HE1 PHE 11 17.396 1.329 3.519 92 HE2 PHE 11 HE2 PHE 11 15.549 0.163 7.250 93 HZ PHE 11 HZ PHE 11 16.688 1.895 5.881 94 H LEU 12 H LEU 12 15.042 -0.859 1.494 95 HA LEU 12 HA LEU 12 12.305 -0.402 2.287 96 1HB LEU 12 HB2 LEU 12 14.569 1.233 1.528 97 2HB LEU 12 HB3 LEU 12 13.189 1.642 0.541 98 HG LEU 12 HG LEU 12 11.885 1.487 2.923 99 1HD1 LEU 12 1HD1 LEU 12 13.973 0.692 4.031 100 2HD1 LEU 12 2HD1 LEU 12 14.721 2.250 3.669 101 3HD1 LEU 12 3HD1 LEU 12 13.311 2.193 4.753 102 1HD2 LEU 12 1HD2 LEU 12 13.552 3.749 1.876 103 2HD2 LEU 12 2HD2 LEU 12 11.916 3.261 1.373 104 3HD2 LEU 12 3HD2 LEU 12 12.176 3.892 3.026 105 H TYR 13 H TYR 13 13.888 -1.394 -0.497 106 HA TYR 13 HA TYR 13 11.719 -0.829 -2.394 107 1HB TYR 13 HB2 TYR 13 14.596 -1.717 -2.538 108 2HB TYR 13 HB3 TYR 13 13.560 -1.881 -3.930 109 HD1 TYR 13 HD2 TYR 13 14.193 0.791 -1.301 110 HD2 TYR 13 HD1 TYR 13 13.728 -0.103 -5.490 111 HE1 TYR 13 HE2 TYR 13 14.148 3.170 -1.771 112 HE2 TYR 13 HE1 TYR 13 13.935 2.311 -5.997 113 HH TYR 13 HH TYR 13 14.054 4.439 -5.134 114 H GLU 14 H GLU 14 12.854 -3.636 -0.627 115 HA GLU 14 HA GLU 14 10.851 -5.482 -1.790 116 1HB GLU 14 HB2 GLU 14 12.101 -5.576 0.917 117 2HB GLU 14 HB3 GLU 14 11.204 -6.865 0.112 118 1HG GLU 14 HG2 GLU 14 12.986 -6.907 -1.662 119 2HG GLU 14 HG3 GLU 14 13.880 -5.715 -0.693 120 H ALA 15 H ALA 15 11.005 -3.116 0.744 121 HA ALA 15 HA ALA 15 9.020 -3.845 2.506 122 1HB ALA 15 HB1 ALA 15 10.661 -1.931 2.762 123 2HB ALA 15 HB2 ALA 15 9.643 -0.992 1.629 124 3HB ALA 15 HB3 ALA 15 9.007 -1.475 3.202 125 H SER 16 H SER 16 8.808 -1.939 -0.362 126 HA SER 16 HA SER 16 6.617 -0.375 -0.050 127 1HB SER 16 HB2 SER 16 8.226 -1.562 -2.278 128 2HB SER 16 HB3 SER 16 6.849 -0.511 -2.719 129 HG SER 16 HG SER 16 8.251 0.994 -2.444 130 H ILE 17 H ILE 17 6.591 -3.703 -0.971 131 HA ILE 17 HA ILE 17 3.740 -3.734 -1.934 132 HB ILE 17 HB ILE 17 6.394 -4.688 -3.014 133 1HG1 ILE 17 2HG1 ILE 17 5.115 -4.146 -5.227 134 2HG1 ILE 17 3HG1 ILE 17 3.868 -3.442 -4.228 135 1HG2 ILE 17 1HG2 ILE 17 5.384 -6.284 -4.594 136 2HG2 ILE 17 2HG2 ILE 17 5.264 -6.845 -2.936 137 3HG2 ILE 17 3HG2 ILE 17 3.832 -6.166 -3.756 138 1HD1 ILE 17 1HD1 ILE 17 5.866 -1.994 -5.238 139 2HD1 ILE 17 2HD1 ILE 17 5.122 -1.605 -3.676 140 3HD1 ILE 17 3HD1 ILE 17 6.685 -2.519 -3.785 141 H ASP 18 H ASP 18 5.548 -4.699 0.587 142 HA ASP 18 HA ASP 18 5.236 -7.605 0.629 143 1HB ASP 18 HB2 ASP 18 7.242 -6.411 1.487 144 2HB ASP 18 HB3 ASP 18 6.255 -5.685 2.766 145 H GLU 19 H GLU 19 3.539 -4.915 1.985 146 HA GLU 19 HA GLU 19 1.543 -6.753 3.291 147 1HB GLU 19 HB2 GLU 19 2.449 -4.036 4.287 148 2HB GLU 19 HB3 GLU 19 1.082 -4.955 4.925 149 1HG GLU 19 HG2 GLU 19 2.599 -6.812 5.546 150 2HG GLU 19 HG3 GLU 19 3.982 -5.856 4.994 151 H PHE 20 H PHE 20 1.878 -3.344 2.141 152 HA PHE 20 HA PHE 20 -0.799 -2.767 2.095 153 1HB PHE 20 HB2 PHE 20 1.264 -1.823 -0.004 154 2HB PHE 20 HB3 PHE 20 -0.298 -1.057 0.306 155 HD1 PHE 20 HD1 PHE 20 3.049 -1.795 1.820 156 HD2 PHE 20 HD2 PHE 20 -0.484 0.674 1.866 157 HE1 PHE 20 HE1 PHE 20 4.178 -0.230 3.338 158 HE2 PHE 20 HE2 PHE 20 0.671 2.294 3.366 159 HZ PHE 20 HZ PHE 20 3.005 1.846 4.105 160 H MET 21 H MET 21 0.958 -4.078 -0.731 161 HA MET 21 HA MET 21 -1.116 -3.785 -2.659 162 1HB MET 21 HB2 MET 21 1.182 -5.768 -2.307 163 2HB MET 21 HB3 MET 21 0.081 -5.982 -3.646 164 1HG MET 21 HG2 MET 21 1.623 -3.447 -3.073 165 2HG MET 21 HG3 MET 21 2.121 -4.739 -4.198 166 1HE MET 21 HE1 MET 21 -0.970 -4.450 -6.834 167 2HE MET 21 HE2 MET 21 0.086 -5.635 -6.024 168 3HE MET 21 HE3 MET 21 -1.400 -5.020 -5.221 169 H GLY 22 H GLY 22 -0.587 -6.392 -0.366 170 1HA GLY 22 HA2 GLY 22 -2.903 -7.913 -1.369 171 2HA GLY 22 HA3 GLY 22 -1.970 -8.308 0.108 172 H LYS 23 H LYS 23 -2.354 -5.326 0.951 173 HA LYS 23 HA LYS 23 -4.687 -5.904 2.533 174 1HB LYS 23 HB2 LYS 23 -3.607 -4.710 4.065 175 2HB LYS 23 HB3 LYS 23 -2.229 -4.717 3.019 176 1HG LYS 23 HG2 LYS 23 -2.956 -2.662 2.001 177 2HG LYS 23 HG3 LYS 23 -4.358 -2.674 2.979 178 1HD LYS 23 HD2 LYS 23 -1.586 -2.749 4.184 179 2HD LYS 23 HD3 LYS 23 -2.446 -1.192 3.890 180 1HE LYS 23 HE2 LYS 23 -4.231 -1.938 5.446 181 2HE LYS 23 HE3 LYS 23 -3.449 -3.517 5.515 182 1HZ LYS 23 HZ1 LYS 23 -2.939 -2.239 7.470 183 2HZ LYS 23 HZ2 LYS 23 -1.565 -2.471 6.623 184 3HZ LYS 23 HZ3 LYS 23 -2.327 -1.008 6.584 185 H ILE 24 H ILE 24 -3.730 -3.772 -0.066 186 HA ILE 24 HA ILE 24 -6.413 -2.645 -0.256 187 HB ILE 24 HB ILE 24 -5.297 -2.044 -2.578 188 1HG1 ILE 24 2HG1 ILE 24 -2.748 -2.047 -1.139 189 2HG1 ILE 24 3HG1 ILE 24 -3.280 -3.245 -2.380 190 1HG2 ILE 24 1HG2 ILE 24 -4.162 -0.702 -0.071 191 2HG2 ILE 24 2HG2 ILE 24 -4.838 0.041 -1.545 192 3HG2 ILE 24 3HG2 ILE 24 -5.907 -0.630 -0.335 193 1HD1 ILE 24 1HD1 ILE 24 -3.701 -1.549 -3.896 194 2HD1 ILE 24 2HD1 ILE 24 -2.765 -0.464 -2.763 195 3HD1 ILE 24 3HD1 ILE 24 -2.008 -1.917 -3.444 196 H ALA 25 H ALA 25 -4.618 -5.032 -2.254 197 HA ALA 25 HA ALA 25 -6.803 -5.218 -4.110 198 1HB ALA 25 HB1 ALA 25 -4.433 -5.642 -4.716 199 2HB ALA 25 HB2 ALA 25 -4.484 -7.154 -3.759 200 3HB ALA 25 HB3 ALA 25 -5.517 -6.972 -5.178 201 H SER 26 H SER 26 -6.042 -6.841 -1.156 202 HA SER 26 HA SER 26 -8.387 -8.557 -1.450 203 1HB SER 26 HB2 SER 26 -6.349 -9.877 -1.137 204 2HB SER 26 HB3 SER 26 -6.073 -9.072 0.432 205 HG SER 26 HG SER 26 -8.250 -9.738 0.924 206 H CYS 27 H CYS 27 -8.134 -5.606 -0.455 207 HA CYS 27 HA CYS 27 -8.736 -5.544 2.262 208 1HB CYS 27 HB2 CYS 27 -8.230 -3.550 0.846 209 2HB CYS 27 HB3 CYS 27 -9.684 -3.821 -0.027 210 HG CYS 27 HG CYS 27 -9.139 -3.280 3.202 211 H GLN 28 H GLN 28 -10.868 -6.296 -0.428 212 HA GLN 28 HA GLN 28 -12.897 -7.274 -0.637 213 1HB GLN 28 HB2 GLN 28 -13.056 -7.481 2.387 214 2HB GLN 28 HB3 GLN 28 -14.117 -8.280 1.247 215 1HG GLN 28 HG2 GLN 28 -12.646 -9.934 0.789 216 2HG GLN 28 HG3 GLN 28 -11.248 -8.853 0.873 217 1HE2 GLN 28 1HE2 GLN 28 -10.145 -8.600 2.790 218 2HE2 GLN 28 2HE2 GLN 28 -10.632 -9.371 4.298 219 H THR 29 H THR 29 -12.505 -4.261 0.683 220 HA THR 29 HA THR 29 -15.326 -3.479 0.360 221 HB THR 29 HB THR 29 -15.105 -2.118 2.439 222 HG1 THR 29 HG1 THR 29 -12.970 -3.929 2.938 223 1HG2 THR 29 1HG2 THR 29 -15.140 -5.136 2.947 224 2HG2 THR 29 2HG2 THR 29 -15.798 -3.881 4.019 225 3HG2 THR 29 3HG2 THR 29 -16.529 -4.154 2.435 226 H LEU 30 H LEU 30 -15.478 -1.353 -0.366 227 HA LEU 30 HA LEU 30 -12.921 -0.271 -1.347 228 1HB LEU 30 HB2 LEU 30 -15.293 0.035 -2.481 229 2HB LEU 30 HB3 LEU 30 -15.508 1.224 -1.216 230 HG LEU 30 HG LEU 30 -12.807 1.676 -2.097 231 1HD1 LEU 30 1HD1 LEU 30 -12.764 0.616 -3.948 232 2HD1 LEU 30 2HD1 LEU 30 -14.464 0.922 -4.330 233 3HD1 LEU 30 3HD1 LEU 30 -13.285 2.183 -4.480 234 1HD2 LEU 30 1HD2 LEU 30 -15.279 3.008 -2.947 235 2HD2 LEU 30 2HD2 LEU 30 -14.389 3.218 -1.357 236 3HD2 LEU 30 3HD2 LEU 30 -13.579 3.674 -2.944 237 H GLU 31 H GLU 31 -15.271 0.259 1.085 238 HA GLU 31 HA GLU 31 -14.485 2.650 2.109 239 1HB GLU 31 HB2 GLU 31 -16.515 0.947 2.378 240 2HB GLU 31 HB3 GLU 31 -15.545 0.194 3.642 241 1HG GLU 31 HG2 GLU 31 -15.348 2.276 4.693 242 2HG GLU 31 HG3 GLU 31 -16.481 3.087 3.593 243 H GLY 32 H GLY 32 -13.281 -0.576 2.675 244 1HA GLY 32 HA2 GLY 32 -11.253 0.281 4.569 245 2HA GLY 32 HA3 GLY 32 -11.374 -1.332 3.852 246 H LEU 33 H LEU 33 -11.239 -0.407 1.115 247 HA LEU 33 HA LEU 33 -8.472 -0.109 0.592 248 1HB LEU 33 HB2 LEU 33 -10.286 -0.908 -0.892 249 2HB LEU 33 HB3 LEU 33 -11.008 0.610 -0.959 250 HG LEU 33 HG LEU 33 -9.279 1.678 -2.212 251 1HD1 LEU 33 1HD1 LEU 33 -7.664 -0.827 -1.845 252 2HD1 LEU 33 2HD1 LEU 33 -7.380 0.442 -3.079 253 3HD1 LEU 33 3HD1 LEU 33 -7.280 0.864 -1.356 254 1HD2 LEU 33 1HD2 LEU 33 -9.364 0.478 -4.185 255 2HD2 LEU 33 2HD2 LEU 33 -9.475 -1.067 -3.338 256 3HD2 LEU 33 3HD2 LEU 33 -10.857 0.039 -3.316 257 H GLU 34 H GLU 34 -10.973 2.203 0.648 258 HA GLU 34 HA GLU 34 -9.667 4.660 0.302 259 1HB GLU 34 HB2 GLU 34 -12.174 3.649 1.517 260 2HB GLU 34 HB3 GLU 34 -11.813 5.399 1.670 261 1HG GLU 34 HG2 GLU 34 -11.966 3.879 -1.023 262 2HG GLU 34 HG3 GLU 34 -13.253 4.736 -0.179 263 H GLU 35 H GLU 35 -10.167 2.711 3.183 264 HA GLU 35 HA GLU 35 -9.244 4.719 5.177 265 1HB GLU 35 HB2 GLU 35 -9.701 1.714 5.444 266 2HB GLU 35 HB3 GLU 35 -9.026 2.709 6.716 267 1HG GLU 35 HG2 GLU 35 -11.585 3.640 5.531 268 2HG GLU 35 HG3 GLU 35 -11.634 2.146 6.498 269 H LEU 36 H LEU 36 -7.994 1.714 3.754 270 HA LEU 36 HA LEU 36 -5.338 1.990 4.433 271 1HB LEU 36 HB2 LEU 36 -6.411 0.727 1.921 272 2HB LEU 36 HB3 LEU 36 -4.778 0.613 2.519 273 HG LEU 36 HG LEU 36 -5.101 -0.816 3.997 274 1HD1 LEU 36 1HD1 LEU 36 -7.823 -0.076 5.006 275 2HD1 LEU 36 2HD1 LEU 36 -6.736 -1.322 5.618 276 3HD1 LEU 36 3HD1 LEU 36 -6.261 0.360 5.735 277 1HD2 LEU 36 1HD2 LEU 36 -7.768 -1.245 2.704 278 2HD2 LEU 36 2HD2 LEU 36 -6.210 -1.696 2.003 279 3HD2 LEU 36 3HD2 LEU 36 -6.774 -2.487 3.502 280 H GLU 37 H GLU 37 -7.041 3.424 1.582 281 HA GLU 37 HA GLU 37 -4.922 4.604 0.491 282 1HB GLU 37 HB2 GLU 37 -7.273 4.535 -0.295 283 2HB GLU 37 HB3 GLU 37 -7.653 5.972 0.573 284 1HG GLU 37 HG2 GLU 37 -5.351 5.683 -1.353 285 2HG GLU 37 HG3 GLU 37 -6.976 6.021 -1.995 286 H ALA 38 H ALA 38 -7.104 5.862 2.988 287 HA ALA 38 HA ALA 38 -5.693 8.244 3.365 288 1HB ALA 38 HB1 ALA 38 -7.973 7.905 4.269 289 2HB ALA 38 HB2 ALA 38 -7.345 6.691 5.416 290 3HB ALA 38 HB3 ALA 38 -6.853 8.384 5.573 291 H TYR 39 H TYR 39 -5.327 5.002 4.989 292 HA TYR 39 HA TYR 39 -3.387 5.861 6.836 293 1HB TYR 39 HB2 TYR 39 -4.100 3.847 7.577 294 2HB TYR 39 HB3 TYR 39 -4.573 3.348 5.964 295 HD1 TYR 39 HD1 TYR 39 -3.149 2.135 4.447 296 HD2 TYR 39 HD2 TYR 39 -1.826 3.129 8.437 297 HE1 TYR 39 HE1 TYR 39 -1.259 0.690 4.145 298 HE2 TYR 39 HE2 TYR 39 0.067 1.545 8.167 299 HH TYR 39 HH TYR 39 0.795 -0.053 5.076 300 H TYR 40 H TYR 40 -3.013 4.682 3.535 301 HA TYR 40 HA TYR 40 -0.141 4.673 3.192 302 1HB TYR 40 HB2 TYR 40 -1.465 3.840 1.391 303 2HB TYR 40 HB3 TYR 40 -2.614 5.174 1.538 304 HD1 TYR 40 HD2 TYR 40 1.077 5.098 0.704 305 HD2 TYR 40 HD1 TYR 40 -2.915 6.340 -0.347 306 HE1 TYR 40 HE2 TYR 40 1.986 6.669 -0.995 307 HE2 TYR 40 HE1 TYR 40 -1.989 7.903 -2.022 308 HH TYR 40 HH TYR 40 1.462 8.160 -2.739 309 H LYS 41 H LYS 41 -2.532 7.320 2.519 310 HA LYS 41 HA LYS 41 -0.599 9.301 2.108 311 1HB LYS 41 HB2 LYS 41 -3.405 9.625 3.159 312 2HB LYS 41 HB3 LYS 41 -2.412 10.939 2.523 313 1HG LYS 41 HG2 LYS 41 -2.462 8.579 0.729 314 2HG LYS 41 HG3 LYS 41 -4.043 9.168 1.100 315 1HD LYS 41 HD2 LYS 41 -3.140 10.123 -0.950 316 2HD LYS 41 HD3 LYS 41 -3.308 11.461 0.208 317 1HE LYS 41 HE2 LYS 41 -0.776 9.959 0.318 318 2HE LYS 41 HE3 LYS 41 -1.046 10.688 -1.276 319 1HZ LYS 41 HZ1 LYS 41 -1.276 12.832 -0.217 320 2HZ LYS 41 HZ2 LYS 41 -1.003 12.205 1.275 321 3HZ LYS 41 HZ3 LYS 41 0.182 12.194 0.132 322 H LYS 42 H LYS 42 -2.021 8.303 5.232 323 HA LYS 42 HA LYS 42 -1.012 10.297 6.956 324 1HB LYS 42 HB2 LYS 42 -2.085 7.454 7.045 325 2HB LYS 42 HB3 LYS 42 -1.706 8.245 8.492 326 1HG LYS 42 HG2 LYS 42 -3.670 9.371 6.494 327 2HG LYS 42 HG3 LYS 42 -4.124 8.288 7.829 328 1HD LYS 42 HD2 LYS 42 -3.579 10.002 9.451 329 2HD LYS 42 HD3 LYS 42 -2.795 10.983 8.183 330 1HE LYS 42 HE2 LYS 42 -5.043 10.803 6.910 331 2HE LYS 42 HE3 LYS 42 -5.734 10.214 8.429 332 1HZ LYS 42 HZ1 LYS 42 -5.088 12.284 9.484 333 2HZ LYS 42 HZ2 LYS 42 -4.438 12.852 8.091 334 3HZ LYS 42 HZ3 LYS 42 -6.053 12.595 8.199 335 H ARG 43 H ARG 43 0.149 6.916 6.199 336 HA ARG 43 HA ARG 43 2.554 7.342 7.754 337 1HB ARG 43 HB2 ARG 43 1.552 5.093 7.438 338 2HB ARG 43 HB3 ARG 43 2.064 5.120 5.746 339 1HG ARG 43 HG2 ARG 43 4.464 5.441 6.533 340 2HG ARG 43 HG3 ARG 43 3.904 5.354 8.200 341 1HD ARG 43 HD2 ARG 43 3.437 3.111 6.195 342 2HD ARG 43 HD3 ARG 43 4.876 3.217 7.233 343 HE ARG 43 HE ARG 43 2.566 3.454 8.876 344 1HH1 ARG 43 1HH1 ARG 43 4.227 0.953 7.049 345 2HH1 ARG 43 2HH1 ARG 43 3.690 -0.307 8.137 346 1HH2 ARG 43 1HH2 ARG 43 1.962 1.803 10.234 347 2HH2 ARG 43 2HH2 ARG 43 2.472 0.172 9.898 348 H VAL 44 H VAL 44 2.138 7.538 4.124 349 HA VAL 44 HA VAL 44 4.931 7.575 3.928 350 HB VAL 44 HB VAL 44 4.783 8.043 1.888 351 1HG1 VAL 44 1HG1 VAL 44 3.387 6.493 0.923 352 2HG1 VAL 44 2HG1 VAL 44 3.162 6.094 2.621 353 3HG1 VAL 44 3HG1 VAL 44 1.990 7.112 1.745 354 1HG2 VAL 44 1HG2 VAL 44 3.767 10.259 1.724 355 2HG2 VAL 44 2HG2 VAL 44 2.959 9.160 0.576 356 3HG2 VAL 44 3HG2 VAL 44 2.183 9.591 2.132 357 H LYS 45 H LYS 45 2.717 10.172 4.567 358 HA LYS 45 HA LYS 45 4.450 12.424 4.593 359 1HB LYS 45 HB2 LYS 45 2.106 12.623 4.671 360 2HB LYS 45 HB3 LYS 45 1.974 11.529 6.043 361 1HG LYS 45 HG2 LYS 45 3.688 13.764 6.725 362 2HG LYS 45 HG3 LYS 45 2.241 14.342 6.002 363 1HD LYS 45 HD2 LYS 45 1.903 14.259 8.424 364 2HD LYS 45 HD3 LYS 45 0.812 13.129 7.608 365 1HE LYS 45 HE2 LYS 45 2.414 11.267 8.088 366 2HE LYS 45 HE3 LYS 45 3.416 12.406 9.010 367 1HZ LYS 45 HZ1 LYS 45 0.637 11.683 9.656 368 2HZ LYS 45 HZ2 LYS 45 1.975 11.192 10.471 369 3HZ LYS 45 HZ3 LYS 45 1.543 12.778 10.489 370 H GLU 46 H GLU 46 3.846 9.842 6.964 371 HA GLU 46 HA GLU 46 5.275 10.943 9.206 372 1HB GLU 46 HB2 GLU 46 3.323 9.263 9.081 373 2HB GLU 46 HB3 GLU 46 4.597 8.058 8.815 374 1HG GLU 46 HG2 GLU 46 5.283 8.103 10.936 375 2HG GLU 46 HG3 GLU 46 5.153 9.842 11.015 376 H THR 47 H THR 47 6.316 9.586 6.417 377 HA THR 47 HA THR 47 9.061 9.428 7.448 378 HB THR 47 HB THR 47 8.763 7.174 7.650 379 HG1 THR 47 HG1 THR 47 10.544 7.288 6.528 380 1HG2 THR 47 1HG2 THR 47 7.778 5.661 5.910 381 2HG2 THR 47 2HG2 THR 47 6.637 6.716 6.737 382 3HG2 THR 47 3HG2 THR 47 7.142 7.110 5.083 383 H GLU 48 H GLU 48 8.396 8.250 4.186 384 HA GLU 48 HA GLU 48 8.159 10.888 3.102 385 1HB GLU 48 HB2 GLU 48 10.052 10.739 1.445 386 2HB GLU 48 HB3 GLU 48 10.426 11.250 3.099 387 1HG GLU 48 HG2 GLU 48 11.285 9.190 3.715 388 2HG GLU 48 HG3 GLU 48 10.369 8.387 2.428 389 H LEU 49 H LEU 49 8.099 7.650 2.666 390 HA LEU 49 HA LEU 49 8.320 6.202 1.075 391 1HB LEU 49 HB2 LEU 49 6.801 5.553 -0.173 392 2HB LEU 49 HB3 LEU 49 6.008 6.321 1.181 393 HG LEU 49 HG LEU 49 4.791 7.758 -0.173 394 1HD1 LEU 49 1HD1 LEU 49 5.080 8.437 -2.390 395 2HD1 LEU 49 2HD1 LEU 49 6.430 8.978 -1.417 396 3HD1 LEU 49 3HD1 LEU 49 6.623 7.588 -2.546 397 1HD2 LEU 49 1HD2 LEU 49 3.905 6.337 -1.897 398 2HD2 LEU 49 2HD2 LEU 49 5.478 5.547 -2.048 399 3HD2 LEU 49 3HD2 LEU 49 4.518 5.288 -0.597 400 H LYS 50 H LYS 50 9.815 5.707 -0.112 401 HA LYS 50 HA LYS 50 10.879 7.231 -2.288 402 1HB LYS 50 HB2 LYS 50 12.141 5.446 -2.761 403 2HB LYS 50 HB3 LYS 50 11.802 5.057 -1.144 404 1HG LYS 50 HG2 LYS 50 9.860 3.831 -3.072 405 2HG LYS 50 HG3 LYS 50 11.535 3.416 -3.371 406 1HD LYS 50 HD2 LYS 50 10.560 1.778 -1.908 407 2HD LYS 50 HD3 LYS 50 11.744 2.773 -1.031 408 1HE LYS 50 HE2 LYS 50 10.065 4.132 -0.046 409 2HE LYS 50 HE3 LYS 50 8.783 3.446 -1.058 410 1HZ LYS 50 HZ1 LYS 50 10.175 1.927 1.068 411 2HZ LYS 50 HZ2 LYS 50 8.619 2.467 1.109 412 3HZ LYS 50 HZ3 LYS 50 9.068 1.305 0.031 413 H ASP 51 H ASP 51 10.611 6.522 -4.583 414 HA ASP 51 HA ASP 51 7.863 7.049 -5.398 415 1HB ASP 51 HB2 ASP 51 8.693 6.701 -7.678 416 2HB ASP 51 HB3 ASP 51 9.681 7.855 -6.760 417 H THR 52 H THR 52 9.784 4.136 -5.189 418 HA THR 52 HA THR 52 8.450 2.389 -6.884 419 HB THR 52 HB THR 52 9.633 2.011 -4.144 420 HG1 THR 52 HG1 THR 52 11.542 1.506 -5.293 421 1HG2 THR 52 1HG2 THR 52 8.539 -0.043 -4.626 422 2HG2 THR 52 2HG2 THR 52 9.211 -0.088 -6.285 423 3HG2 THR 52 3HG2 THR 52 10.273 -0.315 -4.860 424 H ASP 53 H ASP 53 7.638 3.142 -3.455 425 HA ASP 53 HA ASP 53 5.652 1.040 -3.115 426 1HB ASP 53 HB2 ASP 53 6.830 2.080 -1.270 427 2HB ASP 53 HB3 ASP 53 6.206 3.652 -1.651 428 H ASP 54 H ASP 54 5.600 4.420 -3.866 429 HA ASP 54 HA ASP 54 2.866 4.995 -3.668 430 1HB ASP 54 HB2 ASP 54 5.114 6.453 -3.996 431 2HB ASP 54 HB3 ASP 54 4.829 6.298 -5.668 432 H ILE 55 H ILE 55 4.562 3.842 -6.393 433 HA ILE 55 HA ILE 55 2.434 4.525 -8.351 434 HB ILE 55 HB ILE 55 4.571 2.688 -9.330 435 1HG1 ILE 55 2HG1 ILE 55 5.724 5.227 -9.833 436 2HG1 ILE 55 3HG1 ILE 55 5.314 5.246 -8.132 437 1HG2 ILE 55 1HG2 ILE 55 2.693 3.480 -10.720 438 2HG2 ILE 55 2HG2 ILE 55 3.243 5.156 -10.506 439 3HG2 ILE 55 3HG2 ILE 55 4.258 3.985 -11.377 440 1HD1 ILE 55 1HD1 ILE 55 6.858 3.032 -9.599 441 2HD1 ILE 55 2HD1 ILE 55 7.571 4.228 -8.503 442 3HD1 ILE 55 3HD1 ILE 55 6.421 2.991 -7.879 443 H SER 56 H SER 56 3.936 1.821 -6.704 444 HA SER 56 HA SER 56 2.683 -0.276 -8.290 445 1HB SER 56 HB2 SER 56 4.534 -0.100 -6.125 446 2HB SER 56 HB3 SER 56 3.151 -0.979 -5.454 447 HG SER 56 HG SER 56 4.636 -1.625 -7.835 448 H VAL 57 H VAL 57 2.165 1.314 -5.213 449 HA VAL 57 HA VAL 57 -0.181 -0.185 -4.472 450 HB VAL 57 HB VAL 57 -0.375 1.502 -2.891 451 1HG1 VAL 57 1HG1 VAL 57 0.718 -0.439 -2.271 452 2HG1 VAL 57 2HG1 VAL 57 2.309 0.315 -2.665 453 3HG1 VAL 57 3HG1 VAL 57 1.259 0.954 -1.339 454 1HG2 VAL 57 1HG2 VAL 57 1.371 3.090 -2.249 455 2HG2 VAL 57 2HG2 VAL 57 1.667 3.037 -4.007 456 3HG2 VAL 57 3HG2 VAL 57 0.072 3.460 -3.400 457 H ARG 58 H ARG 58 0.338 3.337 -5.704 458 HA ARG 58 HA ARG 58 -2.390 3.691 -5.673 459 1HB ARG 58 HB2 ARG 58 -0.130 5.047 -6.980 460 2HB ARG 58 HB3 ARG 58 -1.394 5.022 -8.008 461 1HG ARG 58 HG2 ARG 58 -2.098 6.854 -6.758 462 2HG ARG 58 HG3 ARG 58 -2.847 5.675 -5.733 463 1HD ARG 58 HD2 ARG 58 -1.587 6.652 -4.093 464 2HD ARG 58 HD3 ARG 58 -0.401 5.516 -4.627 465 HE ARG 58 HE ARG 58 0.911 7.199 -5.490 466 1HH1 ARG 58 1HH2 ARG 58 -2.260 8.671 -4.984 467 2HH1 ARG 58 2HH2 ARG 58 -1.640 10.262 -5.378 468 1HH2 ARG 58 1HH1 ARG 58 1.585 9.164 -5.862 469 2HH2 ARG 58 2HH1 ARG 58 0.503 10.563 -5.866 470 H ASP 59 H ASP 59 -0.488 2.272 -8.206 471 HA ASP 59 HA ASP 59 -2.648 2.235 -10.175 472 1HB ASP 59 HB2 ASP 59 -0.279 1.999 -10.680 473 2HB ASP 59 HB3 ASP 59 -0.254 0.404 -9.911 474 H ALA 60 H ALA 60 -1.958 0.213 -7.542 475 HA ALA 60 HA ALA 60 -3.573 -2.119 -8.168 476 1HB ALA 60 HB1 ALA 60 -1.799 -1.243 -5.792 477 2HB ALA 60 HB2 ALA 60 -2.622 -2.821 -5.933 478 3HB ALA 60 HB3 ALA 60 -1.358 -2.345 -7.093 479 H LEU 61 H LEU 61 -3.371 0.424 -5.748 480 HA LEU 61 HA LEU 61 -5.677 -0.052 -4.291 481 1HB LEU 61 HB2 LEU 61 -3.507 1.109 -3.857 482 2HB LEU 61 HB3 LEU 61 -3.992 2.448 -4.858 483 HG LEU 61 HG LEU 61 -5.686 1.606 -2.663 484 1HD1 LEU 61 1HD1 LEU 61 -3.144 3.190 -2.245 485 2HD1 LEU 61 2HD1 LEU 61 -4.342 2.731 -0.983 486 3HD1 LEU 61 3HD1 LEU 61 -3.358 1.488 -1.785 487 1HD2 LEU 61 1HD2 LEU 61 -6.352 3.523 -4.119 488 2HD2 LEU 61 2HD2 LEU 61 -6.281 3.854 -2.402 489 3HD2 LEU 61 3HD2 LEU 61 -4.951 4.418 -3.472 490 H ALA 62 H ALA 62 -4.944 2.623 -6.687 491 HA ALA 62 HA ALA 62 -7.674 3.014 -7.219 492 1HB ALA 62 HB1 ALA 62 -5.885 4.647 -7.859 493 2HB ALA 62 HB2 ALA 62 -5.459 3.573 -9.223 494 3HB ALA 62 HB3 ALA 62 -7.058 4.337 -9.143 495 H GLY 63 H GLY 63 -5.686 0.522 -8.094 496 1HA GLY 63 HA2 GLY 63 -6.527 -0.650 -10.518 497 2HA GLY 63 HA3 GLY 63 -5.826 -1.423 -9.156 498 H LYS 64 H LYS 64 -7.177 -1.224 -7.103 499 HA LYS 64 HA LYS 64 -9.502 -2.873 -7.429 500 1HB LYS 64 HB2 LYS 64 -7.559 -3.226 -5.798 501 2HB LYS 64 HB3 LYS 64 -8.327 -1.969 -4.852 502 1HG LYS 64 HG2 LYS 64 -9.459 -3.881 -4.017 503 2HG LYS 64 HG3 LYS 64 -10.498 -3.390 -5.304 504 1HD LYS 64 HD2 LYS 64 -9.462 -5.069 -6.843 505 2HD LYS 64 HD3 LYS 64 -8.377 -5.559 -5.533 506 1HE LYS 64 HE2 LYS 64 -10.426 -6.128 -4.141 507 2HE LYS 64 HE3 LYS 64 -11.425 -5.779 -5.561 508 1HZ LYS 64 HZ1 LYS 64 -10.261 -7.540 -6.736 509 2HZ LYS 64 HZ2 LYS 64 -9.344 -7.867 -5.409 510 3HZ LYS 64 HZ3 LYS 64 -10.965 -8.122 -5.382 511 H ARG 65 H ARG 65 -9.018 0.545 -6.694 512 HA ARG 65 HA ARG 65 -11.287 0.959 -5.275 513 1HB ARG 65 HB2 ARG 65 -9.299 2.454 -6.068 514 2HB ARG 65 HB3 ARG 65 -10.404 3.018 -7.263 515 1HG ARG 65 HG2 ARG 65 -11.553 4.342 -5.628 516 2HG ARG 65 HG3 ARG 65 -11.514 3.029 -4.511 517 1HD ARG 65 HD2 ARG 65 -9.301 3.459 -3.791 518 2HD ARG 65 HD3 ARG 65 -8.896 4.356 -5.245 519 HE ARG 65 HE ARG 65 -10.152 5.447 -2.849 520 1HH1 ARG 65 1HH2 ARG 65 -9.701 6.124 -6.291 521 2HH1 ARG 65 2HH2 ARG 65 -9.975 7.831 -6.026 522 1HH2 ARG 65 2HH1 ARG 65 -10.506 7.492 -2.651 523 2HH2 ARG 65 1HH1 ARG 65 -10.425 8.620 -4.011 524 H ALA 66 H ALA 66 -10.949 0.918 -8.759 525 HA ALA 66 HA ALA 66 -13.686 1.686 -9.394 526 1HB ALA 66 HB1 ALA 66 -11.908 1.764 -11.092 527 2HB ALA 66 HB2 ALA 66 -11.772 -0.029 -11.006 528 3HB ALA 66 HB3 ALA 66 -13.280 0.717 -11.575 529 H GLU 67 H GLU 67 -12.154 -1.359 -8.454 530 HA GLU 67 HA GLU 67 -14.121 -3.241 -9.505 531 1HB GLU 67 HB2 GLU 67 -12.141 -3.576 -7.271 532 2HB GLU 67 HB3 GLU 67 -12.926 -4.827 -8.237 533 1HG GLU 67 HG2 GLU 67 -10.903 -2.746 -9.293 534 2HG GLU 67 HG3 GLU 67 -10.619 -4.350 -8.662 535 H LEU 68 H LEU 68 -13.284 -1.518 -6.639 536 HA LEU 68 HA LEU 68 -14.970 -3.000 -4.826 537 1HB LEU 68 HB2 LEU 68 -12.719 -1.249 -4.660 538 2HB LEU 68 HB3 LEU 68 -13.875 -1.229 -3.295 539 HG LEU 68 HG LEU 68 -12.561 -3.690 -4.531 540 1HD1 LEU 68 1HD1 LEU 68 -12.239 -2.074 -2.026 541 2HD1 LEU 68 2HD1 LEU 68 -11.356 -3.607 -2.365 542 3HD1 LEU 68 3HD1 LEU 68 -11.169 -2.211 -3.467 543 1HD2 LEU 68 1HD2 LEU 68 -14.691 -4.330 -3.253 544 2HD2 LEU 68 2HD2 LEU 68 -13.323 -4.601 -2.165 545 3HD2 LEU 68 3HD2 LEU 68 -14.274 -3.100 -2.042 546 H GLU 69 H GLU 69 -14.938 0.001 -6.488 547 HA GLU 69 HA GLU 69 -17.231 1.299 -5.408 548 1HB GLU 69 HB2 GLU 69 -15.209 1.456 -7.631 549 2HB GLU 69 HB3 GLU 69 -16.601 2.080 -7.967 550 1HG GLU 69 HG2 GLU 69 -16.376 3.512 -5.704 551 2HG GLU 69 HG3 GLU 69 -14.749 2.902 -5.746 552 H ASP 70 H ASP 70 -16.529 -0.927 -7.946 553 HA ASP 70 HA ASP 70 -19.314 -1.273 -8.924 554 1HB ASP 70 HB2 ASP 70 -16.652 -2.547 -9.575 555 2HB ASP 70 HB3 ASP 70 -18.105 -3.404 -9.969 556 H SER 71 H SER 71 -17.373 -2.209 -6.327 557 HA SER 71 HA SER 71 -19.409 -4.290 -5.514 558 1HB SER 71 HB2 SER 71 -17.021 -4.996 -5.773 559 2HB SER 71 HB3 SER 71 -16.638 -3.992 -4.348 560 HG SER 71 HG SER 71 -18.100 -5.249 -3.163 561 H ASP 72 H ASP 72 -19.871 -1.497 -5.212 562 HA ASP 72 HA ASP 72 -19.314 -0.123 -2.927 563 1HB ASP 72 HB2 ASP 72 -21.366 1.113 -3.273 564 2HB ASP 72 HB3 ASP 72 -20.587 0.751 -4.804 565 H ASP 73 H ASP 73 -21.535 -2.821 -3.026 566 HA ASP 73 HA ASP 73 -22.931 -3.846 -1.508 567 1HB ASP 73 HB2 ASP 73 -20.625 -4.567 -1.228 568 2HB ASP 73 HB3 ASP 73 -20.468 -3.408 0.082 569 H GLU 74 H GLU 74 -23.554 -1.069 -1.388 570 HA GLU 74 HA GLU 74 -23.491 0.084 1.193 571 1HB GLU 74 HB2 GLU 74 -25.389 0.685 -1.088 572 2HB GLU 74 HB3 GLU 74 -25.289 1.623 0.416 573 1HG GLU 74 HG2 GLU 74 -22.840 1.988 -0.020 574 2HG GLU 74 HG3 GLU 74 -23.026 1.198 -1.575 575 H VAL 75 H VAL 75 -24.592 0.023 2.941 576 HA VAL 75 HA VAL 75 -25.762 -0.803 4.659 577 HB VAL 75 HB VAL 75 -28.008 -0.762 2.651 578 1HG1 VAL 75 1HG1 VAL 75 -28.668 -2.495 4.240 579 2HG1 VAL 75 2HG1 VAL 75 -28.269 -1.427 5.607 580 3HG1 VAL 75 3HG1 VAL 75 -29.603 -1.027 4.501 581 1HG2 VAL 75 1HG2 VAL 75 -28.758 1.156 4.044 582 2HG2 VAL 75 2HG2 VAL 75 -27.324 0.950 5.073 583 3HG2 VAL 75 3HG2 VAL 75 -27.146 1.415 3.363 584 H GLU 76 H GLU 76 -26.662 -2.736 1.982 585 HA GLU 76 HA GLU 76 -26.197 -5.310 3.386 586 1HB GLU 76 HB2 GLU 76 -28.403 -6.088 2.877 587 2HB GLU 76 HB3 GLU 76 -28.530 -4.622 3.791 588 1HG GLU 76 HG2 GLU 76 -29.012 -3.353 1.696 589 2HG GLU 76 HG3 GLU 76 -28.835 -4.842 0.752 590 H GLU 77 H GLU 77 -26.514 -3.562 0.429 591 HA GLU 77 HA GLU 77 -25.343 -5.522 -1.325 592 1HB GLU 77 HB2 GLU 77 -27.761 -6.354 -1.020 593 2HB GLU 77 HB3 GLU 77 -28.272 -4.898 -1.808 594 1HG GLU 77 HG2 GLU 77 -28.265 -6.522 -3.498 595 2HG GLU 77 HG3 GLU 77 -26.809 -5.561 -3.797 596 H SER 78 H SER 78 -27.586 -2.873 -1.066 597 HA SER 78 HA SER 78 -26.355 -0.853 -2.671 598 1HB SER 78 HB2 SER 78 -28.197 -0.911 -4.435 599 2HB SER 78 HB3 SER 78 -26.985 -2.180 -4.574 600 HG SER 78 HG SER 78 -28.491 -3.563 -3.409 601 H PHE 79 H PHE 79 -27.513 1.137 -2.266 602 HA PHE 79 HA PHE 79 -30.145 1.045 -0.977 603 1HB PHE 79 HB2 PHE 79 -28.433 0.572 0.813 604 2HB PHE 79 HB3 PHE 79 -27.765 2.167 0.550 605 HD1 PHE 79 HD1 PHE 79 -30.832 0.287 1.555 606 HD2 PHE 79 HD2 PHE 79 -28.792 4.082 1.594 607 HE1 PHE 79 HE1 PHE 79 -32.492 1.166 3.192 608 HE2 PHE 79 HE2 PHE 79 -30.454 4.963 3.225 609 HZ PHE 79 HZ PHE 79 -32.299 3.492 4.026 Start of MODEL 9 1 1H GLY 1 H1 GLY 1 24.274 -6.162 7.145 2 2H GLY 1 H2 GLY 1 23.577 -4.869 6.433 3 3H GLY 1 H3 GLY 1 24.769 -5.680 5.661 4 1HA GLY 1 HA2 GLY 1 22.081 -6.746 6.288 5 2HA GLY 1 HA3 GLY 1 22.628 -6.221 4.686 6 H SER 2 H SER 2 22.284 -8.870 6.733 7 HA SER 2 HA SER 2 24.578 -10.445 6.008 8 1HB SER 2 HB2 SER 2 23.334 -12.264 7.149 9 2HB SER 2 HB3 SER 2 23.434 -10.778 8.105 10 HG SER 2 HG SER 2 21.321 -11.697 8.109 11 H HIS 3 H HIS 3 21.642 -9.868 4.275 12 HA HIS 3 HA HIS 3 22.386 -11.849 2.208 13 1HB HIS 3 HB2 HIS 3 20.879 -13.093 3.686 14 2HB HIS 3 HB3 HIS 3 19.691 -11.793 3.622 15 HD2 HIS 3 HD2 HIS 3 17.845 -12.008 1.824 16 HE1 HIS 3 HE1 HIS 3 19.701 -14.793 -0.816 17 HE2 HIS 3 HE2 HIS 3 17.580 -13.478 -0.351 18 H MET 4 H MET 4 21.591 -11.417 0.171 19 HA MET 4 HA MET 4 19.603 -9.382 -0.380 20 1HB MET 4 HB2 MET 4 20.850 -7.920 -1.725 21 2HB MET 4 HB3 MET 4 21.641 -7.984 -0.162 22 1HG MET 4 HG2 MET 4 22.547 -9.311 -2.748 23 2HG MET 4 HG3 MET 4 23.222 -7.899 -1.972 24 1HE MET 4 HE1 MET 4 23.434 -8.826 1.157 25 2HE MET 4 HE2 MET 4 25.103 -9.424 1.148 26 3HE MET 4 HE3 MET 4 24.682 -7.941 0.266 27 H LEU 5 H LEU 5 18.827 -9.431 -2.546 28 HA LEU 5 HA LEU 5 18.814 -12.128 -3.596 29 1HB LEU 5 HB2 LEU 5 17.466 -9.585 -4.601 30 2HB LEU 5 HB3 LEU 5 17.210 -11.204 -5.226 31 HG LEU 5 HG LEU 5 16.577 -11.824 -2.735 32 1HD1 LEU 5 1HD1 LEU 5 16.085 -8.818 -2.784 33 2HD1 LEU 5 2HD1 LEU 5 15.297 -9.945 -1.659 34 3HD1 LEU 5 3HD1 LEU 5 17.041 -9.734 -1.595 35 1HD2 LEU 5 1HD2 LEU 5 15.061 -11.920 -4.669 36 2HD2 LEU 5 2HD2 LEU 5 14.226 -11.274 -3.253 37 3HD2 LEU 5 3HD2 LEU 5 14.760 -10.170 -4.543 38 H LEU 6 H LEU 6 20.332 -9.155 -4.600 39 HA LEU 6 HA LEU 6 22.132 -10.493 -6.442 40 1HB LEU 6 HB2 LEU 6 20.130 -10.185 -7.905 41 2HB LEU 6 HB3 LEU 6 20.122 -8.466 -7.531 42 HG LEU 6 HG LEU 6 22.319 -8.203 -8.686 43 1HD1 LEU 6 1HD1 LEU 6 23.164 -10.036 -10.116 44 2HD1 LEU 6 2HD1 LEU 6 23.250 -10.478 -8.412 45 3HD1 LEU 6 3HD1 LEU 6 21.948 -11.135 -9.428 46 1HD2 LEU 6 1HD2 LEU 6 20.186 -7.882 -9.899 47 2HD2 LEU 6 2HD2 LEU 6 21.461 -8.511 -10.958 48 3HD2 LEU 6 3HD2 LEU 6 20.189 -9.599 -10.354 49 H GLU 7 H GLU 7 20.832 -7.359 -5.325 50 HA GLU 7 HA GLU 7 23.573 -6.300 -4.828 51 1HB GLU 7 HB2 GLU 7 22.731 -5.570 -7.066 52 2HB GLU 7 HB3 GLU 7 21.351 -4.801 -6.280 53 1HG GLU 7 HG2 GLU 7 22.869 -3.251 -5.099 54 2HG GLU 7 HG3 GLU 7 24.274 -4.101 -5.767 55 H PHE 8 H PHE 8 23.735 -4.881 -3.161 56 HA PHE 8 HA PHE 8 22.257 -5.321 -0.896 57 1HB PHE 8 HB2 PHE 8 23.805 -2.769 -1.506 58 2HB PHE 8 HB3 PHE 8 23.435 -3.411 0.084 59 HD1 PHE 8 HD2 PHE 8 24.631 -5.383 0.984 60 HD2 PHE 8 HD1 PHE 8 25.655 -3.676 -2.849 61 HE1 PHE 8 HE2 PHE 8 26.808 -6.587 1.020 62 HE2 PHE 8 HE1 PHE 8 27.814 -4.887 -2.806 63 HZ PHE 8 HZ PHE 8 28.403 -6.330 -0.866 64 H LYS 9 H LYS 9 21.673 -2.718 -3.217 65 HA LYS 9 HA LYS 9 20.303 -0.901 -1.578 66 1HB LYS 9 HB2 LYS 9 20.113 -1.308 -4.586 67 2HB LYS 9 HB3 LYS 9 19.527 0.117 -3.720 68 1HG LYS 9 HG2 LYS 9 21.824 0.563 -2.880 69 2HG LYS 9 HG3 LYS 9 22.433 -0.797 -3.863 70 1HD LYS 9 HD2 LYS 9 21.553 0.300 -5.908 71 2HD LYS 9 HD3 LYS 9 20.996 1.680 -4.934 72 1HE LYS 9 HE2 LYS 9 23.325 2.125 -4.225 73 2HE LYS 9 HE3 LYS 9 23.892 0.735 -5.158 74 1HZ LYS 9 HZ1 LYS 9 24.186 2.791 -6.352 75 2HZ LYS 9 HZ2 LYS 9 23.129 1.829 -7.155 76 3HZ LYS 9 HZ3 LYS 9 22.593 3.131 -6.302 77 H GLN 10 H GLN 10 18.836 -3.778 -2.913 78 HA GLN 10 HA GLN 10 16.250 -2.511 -3.359 79 1HB GLN 10 HB2 GLN 10 16.751 -5.498 -3.426 80 2HB GLN 10 HB3 GLN 10 15.499 -4.598 -4.311 81 1HG GLN 10 HG2 GLN 10 17.296 -3.525 -5.681 82 2HG GLN 10 HG3 GLN 10 18.466 -4.513 -4.785 83 1HE2 GLN 10 2HE2 GLN 10 18.100 -6.923 -4.870 84 2HE2 GLN 10 1HE2 GLN 10 17.499 -7.577 -6.397 85 H PHE 11 H PHE 11 17.623 -3.847 -0.626 86 HA PHE 11 HA PHE 11 15.487 -5.253 0.379 87 1HB PHE 11 HB2 PHE 11 16.381 -4.909 2.543 88 2HB PHE 11 HB3 PHE 11 17.760 -4.823 1.395 89 HD1 PHE 11 HD1 PHE 11 18.536 -2.452 0.666 90 HD2 PHE 11 HD2 PHE 11 16.242 -3.268 4.218 91 HE1 PHE 11 HE1 PHE 11 19.227 -0.278 1.593 92 HE2 PHE 11 HE2 PHE 11 16.967 -1.107 5.181 93 HZ PHE 11 HZ PHE 11 18.448 0.409 3.868 94 H LEU 12 H LEU 12 15.951 -1.839 0.090 95 HA LEU 12 HA LEU 12 13.647 -1.206 1.629 96 1HB LEU 12 HB2 LEU 12 14.192 0.681 2.030 97 2HB LEU 12 HB3 LEU 12 15.720 -0.113 2.145 98 HG LEU 12 HG LEU 12 16.152 2.061 1.414 99 1HD1 LEU 12 1HD1 LEU 12 17.063 1.702 -0.817 100 2HD1 LEU 12 2HD1 LEU 12 17.178 0.205 0.153 101 3HD1 LEU 12 3HD1 LEU 12 15.903 0.362 -1.067 102 1HD2 LEU 12 1HD2 LEU 12 14.005 1.807 -0.709 103 2HD2 LEU 12 2HD2 LEU 12 13.809 2.655 0.833 104 3HD2 LEU 12 3HD2 LEU 12 14.997 3.242 -0.349 105 H TYR 13 H TYR 13 14.274 -1.515 -1.456 106 HA TYR 13 HA TYR 13 11.856 -0.199 -2.522 107 1HB TYR 13 HB2 TYR 13 14.176 -1.735 -3.795 108 2HB TYR 13 HB3 TYR 13 12.901 -1.018 -4.717 109 HD1 TYR 13 HD2 TYR 13 12.385 1.565 -3.513 110 HD2 TYR 13 HD1 TYR 13 16.173 -0.429 -4.030 111 HE1 TYR 13 HE2 TYR 13 13.552 3.665 -3.021 112 HE2 TYR 13 HE1 TYR 13 17.335 1.728 -3.707 113 HH TYR 13 HH TYR 13 17.130 3.955 -3.238 114 H GLU 14 H GLU 14 12.914 -3.513 -1.806 115 HA GLU 14 HA GLU 14 10.406 -4.772 -2.700 116 1HB GLU 14 HB2 GLU 14 12.540 -6.016 -2.476 117 2HB GLU 14 HB3 GLU 14 12.491 -5.770 -0.730 118 1HG GLU 14 HG2 GLU 14 10.410 -7.074 -0.573 119 2HG GLU 14 HG3 GLU 14 10.330 -7.202 -2.341 120 H ALA 15 H ALA 15 11.665 -3.441 0.283 121 HA ALA 15 HA ALA 15 9.930 -3.946 2.320 122 1HB ALA 15 HB1 ALA 15 11.903 -2.349 2.326 123 2HB ALA 15 HB2 ALA 15 10.894 -1.229 1.374 124 3HB ALA 15 HB3 ALA 15 10.446 -1.612 3.038 125 H SER 16 H SER 16 9.431 -1.773 -0.346 126 HA SER 16 HA SER 16 7.400 -0.086 0.385 127 1HB SER 16 HB2 SER 16 8.558 -1.317 -2.081 128 2HB SER 16 HB3 SER 16 7.078 -0.381 -2.300 129 HG SER 16 HG SER 16 8.412 1.181 -2.460 130 H ILE 17 H ILE 17 7.167 -3.321 -0.904 131 HA ILE 17 HA ILE 17 4.191 -3.230 -1.306 132 HB ILE 17 HB ILE 17 6.569 -3.597 -3.043 133 1HG1 ILE 17 2HG1 ILE 17 5.563 -2.407 -4.612 134 2HG1 ILE 17 3HG1 ILE 17 4.000 -3.132 -4.463 135 1HG2 ILE 17 1HG2 ILE 17 4.264 -5.446 -3.663 136 2HG2 ILE 17 2HG2 ILE 17 5.648 -5.080 -4.713 137 3HG2 ILE 17 3HG2 ILE 17 5.916 -5.913 -3.179 138 1HD1 ILE 17 1HD1 ILE 17 3.899 -0.752 -4.011 139 2HD1 ILE 17 2HD1 ILE 17 3.439 -1.639 -2.562 140 3HD1 ILE 17 3HD1 ILE 17 5.056 -0.922 -2.691 141 H ASP 18 H ASP 18 6.277 -4.587 0.696 142 HA ASP 18 HA ASP 18 5.916 -7.426 0.391 143 1HB ASP 18 HB2 ASP 18 7.855 -6.327 1.500 144 2HB ASP 18 HB3 ASP 18 6.799 -5.832 2.823 145 H GLU 19 H GLU 19 4.083 -5.054 2.157 146 HA GLU 19 HA GLU 19 2.081 -7.133 3.036 147 1HB GLU 19 HB2 GLU 19 3.098 -4.835 4.733 148 2HB GLU 19 HB3 GLU 19 1.751 -5.895 5.153 149 1HG GLU 19 HG2 GLU 19 3.315 -7.849 5.115 150 2HG GLU 19 HG3 GLU 19 4.663 -6.741 4.815 151 H PHE 20 H PHE 20 2.598 -3.691 2.347 152 HA PHE 20 HA PHE 20 -0.027 -2.687 2.496 153 1HB PHE 20 HB2 PHE 20 2.531 -1.777 1.956 154 2HB PHE 20 HB3 PHE 20 1.894 -1.767 0.328 155 HD1 PHE 20 HD1 PHE 20 -0.872 -0.804 0.582 156 HD2 PHE 20 HD2 PHE 20 2.705 0.390 2.698 157 HE1 PHE 20 HE1 PHE 20 -1.800 1.426 0.859 158 HE2 PHE 20 HE2 PHE 20 1.751 2.656 2.987 159 HZ PHE 20 HZ PHE 20 -0.480 3.185 2.078 160 H MET 21 H MET 21 1.653 -4.009 -0.358 161 HA MET 21 HA MET 21 -0.570 -3.753 -2.144 162 1HB MET 21 HB2 MET 21 1.957 -5.384 -2.146 163 2HB MET 21 HB3 MET 21 0.694 -5.852 -3.285 164 1HG MET 21 HG2 MET 21 1.834 -3.036 -3.000 165 2HG MET 21 HG3 MET 21 2.286 -4.246 -4.228 166 1HE MET 21 HE1 MET 21 -1.342 -4.492 -6.094 167 2HE MET 21 HE2 MET 21 0.048 -5.477 -5.587 168 3HE MET 21 HE3 MET 21 -1.307 -5.130 -4.460 169 H GLY 22 H GLY 22 0.108 -6.097 0.334 170 1HA GLY 22 HA2 GLY 22 -1.964 -8.021 -0.334 171 2HA GLY 22 HA3 GLY 22 -1.104 -7.855 1.211 172 H LYS 23 H LYS 23 -1.838 -4.839 1.371 173 HA LYS 23 HA LYS 23 -4.138 -5.196 2.884 174 1HB LYS 23 HB2 LYS 23 -3.310 -3.756 4.209 175 2HB LYS 23 HB3 LYS 23 -1.828 -4.026 3.360 176 1HG LYS 23 HG2 LYS 23 -2.266 -2.092 1.978 177 2HG LYS 23 HG3 LYS 23 -3.704 -1.796 2.833 178 1HD LYS 23 HD2 LYS 23 -1.078 -2.144 4.304 179 2HD LYS 23 HD3 LYS 23 -1.523 -0.539 3.691 180 1HE LYS 23 HE2 LYS 23 -3.406 -0.408 5.156 181 2HE LYS 23 HE3 LYS 23 -3.445 -2.166 5.297 182 1HZ LYS 23 HZ1 LYS 23 -1.376 -0.445 6.528 183 2HZ LYS 23 HZ2 LYS 23 -2.647 -1.087 7.324 184 3HZ LYS 23 HZ3 LYS 23 -1.498 -2.077 6.701 185 H ILE 24 H ILE 24 -3.049 -3.726 -0.009 186 HA ILE 24 HA ILE 24 -5.455 -2.476 -1.059 187 HB ILE 24 HB ILE 24 -3.171 -3.990 -2.569 188 1HG1 ILE 24 2HG1 ILE 24 -2.229 -2.122 -1.385 189 2HG1 ILE 24 3HG1 ILE 24 -2.160 -1.991 -3.162 190 1HG2 ILE 24 1HG2 ILE 24 -4.866 -4.090 -4.112 191 2HG2 ILE 24 2HG2 ILE 24 -5.503 -2.490 -3.688 192 3HG2 ILE 24 3HG2 ILE 24 -3.949 -2.659 -4.528 193 1HD1 ILE 24 1HD1 ILE 24 -4.241 -0.753 -3.088 194 2HD1 ILE 24 2HD1 ILE 24 -4.192 -0.789 -1.297 195 3HD1 ILE 24 3HD1 ILE 24 -2.908 0.056 -2.247 196 H ALA 25 H ALA 25 -3.952 -5.558 -1.546 197 HA ALA 25 HA ALA 25 -5.927 -6.386 -3.381 198 1HB ALA 25 HB1 ALA 25 -3.653 -7.274 -3.533 199 2HB ALA 25 HB2 ALA 25 -3.842 -8.127 -1.977 200 3HB ALA 25 HB3 ALA 25 -4.789 -8.626 -3.392 201 H SER 26 H SER 26 -5.633 -6.713 0.023 202 HA SER 26 HA SER 26 -7.859 -8.565 0.287 203 1HB SER 26 HB2 SER 26 -6.968 -9.386 2.194 204 2HB SER 26 HB3 SER 26 -5.498 -8.943 1.368 205 HG SER 26 HG SER 26 -6.939 -7.316 3.197 206 H CYS 27 H CYS 27 -8.068 -5.499 -0.132 207 HA CYS 27 HA CYS 27 -8.619 -4.350 2.327 208 1HB CYS 27 HB2 CYS 27 -9.402 -2.457 0.948 209 2HB CYS 27 HB3 CYS 27 -7.933 -3.147 0.250 210 HG CYS 27 HG CYS 27 -8.609 -4.010 -1.741 211 H GLN 28 H GLN 28 -10.467 -6.271 0.303 212 HA GLN 28 HA GLN 28 -12.471 -7.228 0.066 213 1HB GLN 28 HB2 GLN 28 -12.594 -6.591 3.035 214 2HB GLN 28 HB3 GLN 28 -13.723 -7.692 2.244 215 1HG GLN 28 HG2 GLN 28 -12.119 -9.344 1.905 216 2HG GLN 28 HG3 GLN 28 -10.770 -8.214 1.977 217 1HE2 GLN 28 1HE2 GLN 28 -9.942 -7.537 3.962 218 2HE2 GLN 28 2HE2 GLN 28 -10.531 -8.140 5.510 219 H THR 29 H THR 29 -12.575 -3.981 0.730 220 HA THR 29 HA THR 29 -15.456 -3.549 0.138 221 HB THR 29 HB THR 29 -15.478 -1.987 2.153 222 HG1 THR 29 HG1 THR 29 -13.136 -3.428 2.726 223 1HG2 THR 29 1HG2 THR 29 -16.244 -3.587 3.781 224 2HG2 THR 29 2HG2 THR 29 -16.766 -4.114 2.172 225 3HG2 THR 29 3HG2 THR 29 -15.389 -4.927 2.958 226 H LEU 30 H LEU 30 -15.795 -1.438 -0.690 227 HA LEU 30 HA LEU 30 -13.268 -0.246 -1.613 228 1HB LEU 30 HB2 LEU 30 -15.606 -0.106 -2.865 229 2HB LEU 30 HB3 LEU 30 -15.927 1.105 -1.661 230 HG LEU 30 HG LEU 30 -13.228 1.662 -2.427 231 1HD1 LEU 30 1HD1 LEU 30 -13.466 2.023 -4.819 232 2HD1 LEU 30 2HD1 LEU 30 -13.003 0.482 -4.152 233 3HD1 LEU 30 3HD1 LEU 30 -14.660 0.759 -4.738 234 1HD2 LEU 30 1HD2 LEU 30 -14.022 3.591 -3.409 235 2HD2 LEU 30 2HD2 LEU 30 -15.688 2.857 -3.455 236 3HD2 LEU 30 3HD2 LEU 30 -14.886 3.153 -1.839 237 H GLU 31 H GLU 31 -15.765 0.278 0.690 238 HA GLU 31 HA GLU 31 -15.124 2.771 1.611 239 1HB GLU 31 HB2 GLU 31 -17.138 1.047 1.795 240 2HB GLU 31 HB3 GLU 31 -16.285 0.396 3.205 241 1HG GLU 31 HG2 GLU 31 -16.240 2.518 4.140 242 2HG GLU 31 HG3 GLU 31 -17.234 3.269 2.877 243 H GLY 32 H GLY 32 -13.938 -0.358 2.499 244 1HA GLY 32 HA2 GLY 32 -12.046 0.724 4.442 245 2HA GLY 32 HA3 GLY 32 -12.073 -0.974 3.858 246 H LEU 33 H LEU 33 -11.775 -0.307 1.050 247 HA LEU 33 HA LEU 33 -8.997 0.102 0.784 248 1HB LEU 33 HB2 LEU 33 -10.656 -0.902 -0.815 249 2HB LEU 33 HB3 LEU 33 -11.419 0.582 -1.066 250 HG LEU 33 HG LEU 33 -9.649 1.583 -2.295 251 1HD1 LEU 33 1HD1 LEU 33 -7.666 0.910 -1.203 252 2HD1 LEU 33 2HD1 LEU 33 -7.954 -0.824 -1.553 253 3HD1 LEU 33 3HD1 LEU 33 -7.634 0.327 -2.891 254 1HD2 LEU 33 1HD2 LEU 33 -9.510 0.134 -4.131 255 2HD2 LEU 33 2HD2 LEU 33 -9.740 -1.299 -3.114 256 3HD2 LEU 33 3HD2 LEU 33 -11.083 -0.154 -3.376 257 H GLU 34 H GLU 34 -11.544 2.342 0.377 258 HA GLU 34 HA GLU 34 -10.274 4.775 -0.048 259 1HB GLU 34 HB2 GLU 34 -12.791 3.784 1.137 260 2HB GLU 34 HB3 GLU 34 -12.478 5.546 1.223 261 1HG GLU 34 HG2 GLU 34 -12.457 3.923 -1.401 262 2HG GLU 34 HG3 GLU 34 -13.827 4.767 -0.668 263 H GLU 35 H GLU 35 -10.844 3.024 2.924 264 HA GLU 35 HA GLU 35 -9.866 5.128 4.793 265 1HB GLU 35 HB2 GLU 35 -10.375 2.188 5.352 266 2HB GLU 35 HB3 GLU 35 -9.804 3.352 6.529 267 1HG GLU 35 HG2 GLU 35 -12.279 4.074 5.063 268 2HG GLU 35 HG3 GLU 35 -12.395 2.691 6.181 269 H LEU 36 H LEU 36 -8.692 2.108 3.408 270 HA LEU 36 HA LEU 36 -6.043 2.248 4.248 271 1HB LEU 36 HB2 LEU 36 -6.719 1.181 1.526 272 2HB LEU 36 HB3 LEU 36 -5.297 0.856 2.474 273 HG LEU 36 HG LEU 36 -8.042 -0.022 3.308 274 1HD1 LEU 36 1HD1 LEU 36 -7.297 -1.082 1.171 275 2HD1 LEU 36 2HD1 LEU 36 -5.779 -1.518 1.938 276 3HD1 LEU 36 3HD1 LEU 36 -7.305 -2.219 2.525 277 1HD2 LEU 36 1HD2 LEU 36 -5.266 -0.592 4.187 278 2HD2 LEU 36 2HD2 LEU 36 -6.551 0.242 5.106 279 3HD2 LEU 36 3HD2 LEU 36 -6.720 -1.489 4.736 280 H GLU 37 H GLU 37 -7.658 3.740 1.394 281 HA GLU 37 HA GLU 37 -5.527 4.857 0.234 282 1HB GLU 37 HB2 GLU 37 -7.949 4.733 -0.430 283 2HB GLU 37 HB3 GLU 37 -8.240 6.264 0.264 284 1HG GLU 37 HG2 GLU 37 -6.075 5.621 -1.764 285 2HG GLU 37 HG3 GLU 37 -7.727 6.008 -2.297 286 H ALA 38 H ALA 38 -7.759 6.273 2.569 287 HA ALA 38 HA ALA 38 -6.311 8.665 2.892 288 1HB ALA 38 HB1 ALA 38 -7.616 8.869 5.068 289 2HB ALA 38 HB2 ALA 38 -8.649 8.439 3.693 290 3HB ALA 38 HB3 ALA 38 -8.155 7.183 4.861 291 H TYR 39 H TYR 39 -6.135 5.531 4.774 292 HA TYR 39 HA TYR 39 -4.288 6.456 6.632 293 1HB TYR 39 HB2 TYR 39 -4.931 4.426 7.407 294 2HB TYR 39 HB3 TYR 39 -5.298 3.832 5.792 295 HD1 TYR 39 HD1 TYR 39 -2.644 3.962 8.375 296 HD2 TYR 39 HD2 TYR 39 -3.725 2.660 4.417 297 HE1 TYR 39 HE1 TYR 39 -0.474 2.754 8.156 298 HE2 TYR 39 HE2 TYR 39 -1.533 1.669 4.110 299 HH TYR 39 HH TYR 39 0.537 1.290 5.057 300 H TYR 40 H TYR 40 -3.747 5.114 3.410 301 HA TYR 40 HA TYR 40 -0.920 4.940 3.216 302 1HB TYR 40 HB2 TYR 40 -2.352 4.060 1.471 303 2HB TYR 40 HB3 TYR 40 -3.261 5.556 1.404 304 HD1 TYR 40 HD2 TYR 40 0.430 4.818 0.798 305 HD2 TYR 40 HD1 TYR 40 -3.289 6.563 -0.548 306 HE1 TYR 40 HE2 TYR 40 1.501 5.535 -1.301 307 HE2 TYR 40 HE1 TYR 40 -2.144 7.474 -2.523 308 HH TYR 40 HH TYR 40 1.296 7.230 -3.061 309 H LYS 41 H LYS 41 -3.118 7.671 2.225 310 HA LYS 41 HA LYS 41 -1.043 9.510 1.829 311 1HB LYS 41 HB2 LYS 41 -3.864 10.050 2.626 312 2HB LYS 41 HB3 LYS 41 -2.761 11.237 1.918 313 1HG LYS 41 HG2 LYS 41 -2.946 8.682 0.356 314 2HG LYS 41 HG3 LYS 41 -4.437 9.523 0.543 315 1HD LYS 41 HD2 LYS 41 -3.364 10.180 -1.511 316 2HD LYS 41 HD3 LYS 41 -3.297 11.596 -0.429 317 1HE LYS 41 HE2 LYS 41 -1.073 10.374 0.289 318 2HE LYS 41 HE3 LYS 41 -1.137 9.648 -1.316 319 1HZ LYS 41 HZ1 LYS 41 0.150 11.685 -1.350 320 2HZ LYS 41 HZ2 LYS 41 -1.193 11.860 -2.270 321 3HZ LYS 41 HZ3 LYS 41 -1.119 12.562 -0.789 322 H LYS 42 H LYS 42 -2.808 8.803 4.884 323 HA LYS 42 HA LYS 42 -2.053 10.976 6.501 324 1HB LYS 42 HB2 LYS 42 -3.091 8.142 6.736 325 2HB LYS 42 HB3 LYS 42 -2.881 9.052 8.151 326 1HG LYS 42 HG2 LYS 42 -4.600 10.018 5.873 327 2HG LYS 42 HG3 LYS 42 -5.217 9.003 7.189 328 1HD LYS 42 HD2 LYS 42 -4.800 10.792 8.792 329 2HD LYS 42 HD3 LYS 42 -3.973 11.741 7.516 330 1HE LYS 42 HE2 LYS 42 -6.118 11.354 6.125 331 2HE LYS 42 HE3 LYS 42 -6.890 10.843 7.632 332 1HZ LYS 42 HZ1 LYS 42 -5.689 13.506 7.169 333 2HZ LYS 42 HZ2 LYS 42 -7.294 13.180 7.220 334 3HZ LYS 42 HZ3 LYS 42 -6.397 13.026 8.579 335 H ARG 43 H ARG 43 -0.786 7.627 6.184 336 HA ARG 43 HA ARG 43 1.309 8.006 8.169 337 1HB ARG 43 HB2 ARG 43 0.237 5.819 7.580 338 2HB ARG 43 HB3 ARG 43 1.048 5.883 6.003 339 1HG ARG 43 HG2 ARG 43 3.243 6.080 7.255 340 2HG ARG 43 HG3 ARG 43 2.364 5.784 8.761 341 1HD ARG 43 HD2 ARG 43 1.558 3.610 7.843 342 2HD ARG 43 HD3 ARG 43 2.472 3.901 6.352 343 HE ARG 43 HE ARG 43 4.292 4.103 8.519 344 1HH1 ARG 43 2HH1 ARG 43 2.279 1.560 7.135 345 2HH1 ARG 43 1HH1 ARG 43 3.388 0.307 7.638 346 1HH2 ARG 43 1HH2 ARG 43 5.648 2.440 9.119 347 2HH2 ARG 43 2HH2 ARG 43 5.225 0.790 8.725 348 H VAL 44 H VAL 44 1.400 8.140 4.539 349 HA VAL 44 HA VAL 44 3.981 7.631 4.242 350 HB VAL 44 HB VAL 44 1.724 8.925 2.792 351 1HG1 VAL 44 1HG1 VAL 44 2.791 9.281 0.744 352 2HG1 VAL 44 2HG1 VAL 44 3.261 10.459 1.974 353 3HG1 VAL 44 3HG1 VAL 44 4.416 9.150 1.514 354 1HG2 VAL 44 1HG2 VAL 44 2.217 6.959 1.393 355 2HG2 VAL 44 2HG2 VAL 44 3.720 6.700 2.366 356 3HG2 VAL 44 3HG2 VAL 44 2.153 6.553 3.129 357 H LYS 45 H LYS 45 2.806 10.797 4.919 358 HA LYS 45 HA LYS 45 5.192 12.237 4.611 359 1HB LYS 45 HB2 LYS 45 3.945 13.963 5.841 360 2HB LYS 45 HB3 LYS 45 2.890 13.045 4.761 361 1HG LYS 45 HG2 LYS 45 2.437 11.495 6.829 362 2HG LYS 45 HG3 LYS 45 3.239 12.803 7.742 363 1HD LYS 45 HD2 LYS 45 0.919 13.177 7.998 364 2HD LYS 45 HD3 LYS 45 1.453 14.426 6.859 365 1HE LYS 45 HE2 LYS 45 0.660 11.758 5.735 366 2HE LYS 45 HE3 LYS 45 -0.660 12.718 6.460 367 1HZ LYS 45 HZ1 LYS 45 -0.422 13.148 4.097 368 2HZ LYS 45 HZ2 LYS 45 -0.210 14.514 4.987 369 3HZ LYS 45 HZ3 LYS 45 1.079 13.756 4.314 370 H GLU 46 H GLU 46 4.026 10.308 7.177 371 HA GLU 46 HA GLU 46 5.656 11.051 9.474 372 1HB GLU 46 HB2 GLU 46 3.194 10.304 9.302 373 2HB GLU 46 HB3 GLU 46 3.915 8.700 9.245 374 1HG GLU 46 HG2 GLU 46 3.256 9.325 11.452 375 2HG GLU 46 HG3 GLU 46 4.955 8.949 11.304 376 H THR 47 H THR 47 6.001 9.159 6.792 377 HA THR 47 HA THR 47 8.226 7.593 7.941 378 HB THR 47 HB THR 47 6.186 6.231 8.159 379 HG1 THR 47 HG1 THR 47 7.900 5.019 7.986 380 1HG2 THR 47 1HG2 THR 47 5.047 5.318 6.206 381 2HG2 THR 47 2HG2 THR 47 4.974 7.091 6.244 382 3HG2 THR 47 3HG2 THR 47 6.073 6.280 5.119 383 H GLU 48 H GLU 48 8.300 5.941 5.467 384 HA GLU 48 HA GLU 48 9.994 7.793 3.934 385 1HB GLU 48 HB2 GLU 48 10.814 5.103 4.914 386 2HB GLU 48 HB3 GLU 48 11.847 6.290 4.085 387 1HG GLU 48 HG2 GLU 48 11.245 7.898 5.958 388 2HG GLU 48 HG3 GLU 48 10.565 6.504 6.804 389 H LEU 49 H LEU 49 7.527 6.722 3.135 390 HA LEU 49 HA LEU 49 7.775 4.996 0.865 391 1HB LEU 49 HB2 LEU 49 5.626 5.359 1.578 392 2HB LEU 49 HB3 LEU 49 5.846 7.027 1.850 393 HG LEU 49 HG LEU 49 4.323 7.130 0.328 394 1HD1 LEU 49 1HD1 LEU 49 4.942 8.087 -1.644 395 2HD1 LEU 49 2HD1 LEU 49 6.160 8.541 -0.445 396 3HD1 LEU 49 3HD1 LEU 49 6.498 7.292 -1.676 397 1HD2 LEU 49 1HD2 LEU 49 3.814 5.816 -1.408 398 2HD2 LEU 49 2HD2 LEU 49 5.416 5.035 -1.414 399 3HD2 LEU 49 3HD2 LEU 49 4.243 4.750 -0.076 400 H LYS 50 H LYS 50 8.447 5.216 -0.928 401 HA LYS 50 HA LYS 50 9.907 7.607 -1.970 402 1HB LYS 50 HB2 LYS 50 11.622 6.164 -2.758 403 2HB LYS 50 HB3 LYS 50 11.406 5.740 -1.109 404 1HG LYS 50 HG2 LYS 50 9.713 4.002 -2.723 405 2HG LYS 50 HG3 LYS 50 11.322 4.066 -3.411 406 1HD LYS 50 HD2 LYS 50 11.192 2.243 -1.783 407 2HD LYS 50 HD3 LYS 50 12.282 3.532 -1.203 408 1HE LYS 50 HE2 LYS 50 10.354 4.450 0.071 409 2HE LYS 50 HE3 LYS 50 9.437 2.986 -0.351 410 1HZ LYS 50 HZ1 LYS 50 10.328 2.630 1.761 411 2HZ LYS 50 HZ2 LYS 50 11.230 1.704 0.725 412 3HZ LYS 50 HZ3 LYS 50 11.826 3.121 1.335 413 H ASP 51 H ASP 51 10.305 6.935 -4.522 414 HA ASP 51 HA ASP 51 7.683 7.144 -5.706 415 1HB ASP 51 HB2 ASP 51 10.261 6.140 -6.942 416 2HB ASP 51 HB3 ASP 51 8.839 6.662 -7.848 417 H THR 52 H THR 52 9.793 4.367 -5.167 418 HA THR 52 HA THR 52 8.568 2.458 -6.783 419 HB THR 52 HB THR 52 9.860 2.218 -4.070 420 HG1 THR 52 HG1 THR 52 11.120 2.132 -6.600 421 1HG2 THR 52 1HG2 THR 52 10.836 0.024 -4.924 422 2HG2 THR 52 2HG2 THR 52 9.097 -0.017 -4.617 423 3HG2 THR 52 3HG2 THR 52 9.712 0.131 -6.296 424 H ASP 53 H ASP 53 7.779 3.082 -3.227 425 HA ASP 53 HA ASP 53 5.786 0.945 -3.298 426 1HB ASP 53 HB2 ASP 53 4.874 2.757 -1.343 427 2HB ASP 53 HB3 ASP 53 5.660 1.239 -1.058 428 H ASP 54 H ASP 54 5.880 4.419 -3.674 429 HA ASP 54 HA ASP 54 3.181 4.870 -3.223 430 1HB ASP 54 HB2 ASP 54 5.170 6.452 -3.408 431 2HB ASP 54 HB3 ASP 54 5.010 6.411 -5.133 432 H ILE 55 H ILE 55 4.824 4.354 -6.309 433 HA ILE 55 HA ILE 55 2.421 4.919 -7.918 434 HB ILE 55 HB ILE 55 4.595 3.219 -9.099 435 1HG1 ILE 55 2HG1 ILE 55 5.393 5.999 -9.453 436 2HG1 ILE 55 3HG1 ILE 55 5.343 5.600 -7.778 437 1HG2 ILE 55 1HG2 ILE 55 3.018 5.599 -10.143 438 2HG2 ILE 55 2HG2 ILE 55 4.109 4.549 -11.092 439 3HG2 ILE 55 3HG2 ILE 55 2.620 3.889 -10.407 440 1HD1 ILE 55 1HD1 ILE 55 7.536 4.917 -8.715 441 2HD1 ILE 55 2HD1 ILE 55 6.639 3.441 -8.269 442 3HD1 ILE 55 3HD1 ILE 55 6.732 3.950 -9.968 443 H SER 56 H SER 56 4.179 2.055 -6.859 444 HA SER 56 HA SER 56 2.747 0.179 -8.496 445 1HB SER 56 HB2 SER 56 4.796 0.219 -6.426 446 2HB SER 56 HB3 SER 56 3.768 -1.233 -6.302 447 HG SER 56 HG SER 56 5.613 -1.428 -7.741 448 H VAL 57 H VAL 57 2.445 1.190 -5.180 449 HA VAL 57 HA VAL 57 0.227 -0.549 -4.536 450 HB VAL 57 HB VAL 57 2.139 0.428 -3.064 451 1HG1 VAL 57 1HG1 VAL 57 1.518 2.061 -1.562 452 2HG1 VAL 57 2HG1 VAL 57 1.493 2.747 -3.211 453 3HG1 VAL 57 3HG1 VAL 57 -0.055 2.318 -2.369 454 1HG2 VAL 57 1HG2 VAL 57 -0.675 0.157 -2.008 455 2HG2 VAL 57 2HG2 VAL 57 0.397 -1.225 -2.407 456 3HG2 VAL 57 3HG2 VAL 57 0.856 -0.082 -1.130 457 H ARG 58 H ARG 58 0.428 3.062 -5.030 458 HA ARG 58 HA ARG 58 -2.356 3.341 -4.706 459 1HB ARG 58 HB2 ARG 58 -0.301 5.047 -5.218 460 2HB ARG 58 HB3 ARG 58 -1.138 5.178 -6.704 461 1HG ARG 58 HG2 ARG 58 -2.312 5.542 -3.901 462 2HG ARG 58 HG3 ARG 58 -1.856 6.865 -5.016 463 1HD ARG 58 HD2 ARG 58 -3.461 5.788 -6.633 464 2HD ARG 58 HD3 ARG 58 -4.107 4.837 -5.301 465 HE ARG 58 HE ARG 58 -4.653 6.917 -4.072 466 1HH1 ARG 58 1HH1 ARG 58 -4.410 7.301 -7.572 467 2HH1 ARG 58 2HH1 ARG 58 -5.420 8.729 -7.524 468 1HH2 ARG 58 2HH2 ARG 58 -5.879 8.643 -4.122 469 2HH2 ARG 58 1HH2 ARG 58 -6.243 9.479 -5.633 470 H ASP 59 H ASP 59 -0.432 2.566 -7.600 471 HA ASP 59 HA ASP 59 -2.645 2.917 -9.344 472 1HB ASP 59 HB2 ASP 59 -0.295 2.723 -10.100 473 2HB ASP 59 HB3 ASP 59 -0.309 0.995 -9.736 474 H ALA 60 H ALA 60 -1.935 0.472 -7.213 475 HA ALA 60 HA ALA 60 -3.629 -1.733 -8.035 476 1HB ALA 60 HB1 ALA 60 -1.761 -1.381 -5.674 477 2HB ALA 60 HB2 ALA 60 -2.614 -2.853 -6.188 478 3HB ALA 60 HB3 ALA 60 -1.343 -2.158 -7.214 479 H LEU 61 H LEU 61 -3.350 0.662 -5.436 480 HA LEU 61 HA LEU 61 -5.729 0.023 -4.148 481 1HB LEU 61 HB2 LEU 61 -3.655 1.620 -3.619 482 2HB LEU 61 HB3 LEU 61 -4.573 2.888 -4.416 483 HG LEU 61 HG LEU 61 -5.775 1.143 -2.369 484 1HD1 LEU 61 1HD1 LEU 61 -3.838 1.688 -1.293 485 2HD1 LEU 61 2HD1 LEU 61 -3.978 3.419 -1.728 486 3HD1 LEU 61 3HD1 LEU 61 -5.120 2.630 -0.562 487 1HD2 LEU 61 1HD2 LEU 61 -7.371 2.651 -3.432 488 2HD2 LEU 61 2HD2 LEU 61 -7.066 3.247 -1.813 489 3HD2 LEU 61 3HD2 LEU 61 -6.259 4.006 -3.220 490 H ALA 62 H ALA 62 -5.067 2.506 -6.418 491 HA ALA 62 HA ALA 62 -7.793 2.995 -7.077 492 1HB ALA 62 HB1 ALA 62 -5.347 3.542 -8.832 493 2HB ALA 62 HB2 ALA 62 -6.961 4.258 -9.056 494 3HB ALA 62 HB3 ALA 62 -6.022 4.653 -7.609 495 H GLY 63 H GLY 63 -5.695 0.558 -7.978 496 1HA GLY 63 HA2 GLY 63 -6.510 -0.562 -10.393 497 2HA GLY 63 HA3 GLY 63 -5.742 -1.351 -9.045 498 H LYS 64 H LYS 64 -7.164 -1.177 -6.962 499 HA LYS 64 HA LYS 64 -9.357 -3.026 -7.367 500 1HB LYS 64 HB2 LYS 64 -7.482 -3.243 -5.637 501 2HB LYS 64 HB3 LYS 64 -8.348 -1.999 -4.739 502 1HG LYS 64 HG2 LYS 64 -9.743 -3.611 -3.925 503 2HG LYS 64 HG3 LYS 64 -10.303 -3.902 -5.549 504 1HD LYS 64 HD2 LYS 64 -8.447 -5.535 -5.911 505 2HD LYS 64 HD3 LYS 64 -7.936 -5.285 -4.230 506 1HE LYS 64 HE2 LYS 64 -10.162 -6.054 -3.440 507 2HE LYS 64 HE3 LYS 64 -10.700 -6.265 -5.111 508 1HZ LYS 64 HZ1 LYS 64 -10.049 -8.353 -4.222 509 2HZ LYS 64 HZ2 LYS 64 -8.935 -7.949 -5.352 510 3HZ LYS 64 HZ3 LYS 64 -8.581 -7.815 -3.740 511 H ARG 65 H ARG 65 -9.036 0.352 -6.553 512 HA ARG 65 HA ARG 65 -11.432 0.768 -5.359 513 1HB ARG 65 HB2 ARG 65 -9.454 2.279 -5.871 514 2HB ARG 65 HB3 ARG 65 -10.322 2.773 -7.306 515 1HG ARG 65 HG2 ARG 65 -11.934 3.995 -6.031 516 2HG ARG 65 HG3 ARG 65 -11.730 2.950 -4.671 517 1HD ARG 65 HD2 ARG 65 -9.536 3.744 -4.148 518 2HD ARG 65 HD3 ARG 65 -9.363 4.521 -5.707 519 HE ARG 65 HE ARG 65 -10.698 5.592 -3.317 520 1HH1 ARG 65 1HH2 ARG 65 -10.437 6.104 -6.809 521 2HH1 ARG 65 2HH2 ARG 65 -10.916 7.780 -6.634 522 1HH2 ARG 65 1HH1 ARG 65 -11.373 7.544 -3.218 523 2HH2 ARG 65 2HH1 ARG 65 -11.468 8.596 -4.637 524 H ALA 66 H ALA 66 -10.791 0.741 -8.816 525 HA ALA 66 HA ALA 66 -13.451 1.457 -9.700 526 1HB ALA 66 HB1 ALA 66 -11.352 -0.221 -11.096 527 2HB ALA 66 HB2 ALA 66 -12.821 0.434 -11.826 528 3HB ALA 66 HB3 ALA 66 -11.568 1.561 -11.239 529 H GLU 67 H GLU 67 -11.989 -1.569 -8.586 530 HA GLU 67 HA GLU 67 -13.819 -3.456 -9.819 531 1HB GLU 67 HB2 GLU 67 -12.080 -3.751 -7.376 532 2HB GLU 67 HB3 GLU 67 -12.778 -5.038 -8.349 533 1HG GLU 67 HG2 GLU 67 -10.685 -2.996 -9.302 534 2HG GLU 67 HG3 GLU 67 -10.430 -4.557 -8.587 535 H LEU 68 H LEU 68 -13.296 -1.725 -6.893 536 HA LEU 68 HA LEU 68 -15.150 -3.195 -5.222 537 1HB LEU 68 HB2 LEU 68 -12.955 -1.372 -4.900 538 2HB LEU 68 HB3 LEU 68 -14.222 -1.337 -3.643 539 HG LEU 68 HG LEU 68 -12.726 -3.808 -4.648 540 1HD1 LEU 68 1HD1 LEU 68 -11.481 -2.338 -3.573 541 2HD1 LEU 68 2HD1 LEU 68 -12.653 -2.098 -2.232 542 3HD1 LEU 68 3HD1 LEU 68 -11.862 -3.701 -2.471 543 1HD2 LEU 68 1HD2 LEU 68 -14.622 -3.149 -2.282 544 2HD2 LEU 68 2HD2 LEU 68 -15.056 -4.367 -3.523 545 3HD2 LEU 68 3HD2 LEU 68 -13.750 -4.695 -2.383 546 H GLU 69 H GLU 69 -14.971 -0.205 -6.888 547 HA GLU 69 HA GLU 69 -17.309 1.123 -5.995 548 1HB GLU 69 HB2 GLU 69 -15.096 1.298 -8.004 549 2HB GLU 69 HB3 GLU 69 -16.464 1.874 -8.517 550 1HG GLU 69 HG2 GLU 69 -16.498 3.315 -6.191 551 2HG GLU 69 HG3 GLU 69 -14.845 2.796 -6.141 552 H ASP 70 H ASP 70 -16.509 -1.143 -8.482 553 HA ASP 70 HA ASP 70 -19.223 -1.281 -9.679 554 1HB ASP 70 HB2 ASP 70 -16.930 -2.217 -10.669 555 2HB ASP 70 HB3 ASP 70 -17.313 -3.617 -9.722 556 H SER 71 H SER 71 -17.360 -2.452 -6.988 557 HA SER 71 HA SER 71 -19.449 -4.421 -6.331 558 1HB SER 71 HB2 SER 71 -16.934 -4.886 -6.209 559 2HB SER 71 HB3 SER 71 -16.964 -4.020 -4.662 560 HG SER 71 HG SER 71 -17.256 -6.302 -4.474 561 H ASP 72 H ASP 72 -19.917 -1.480 -6.052 562 HA ASP 72 HA ASP 72 -19.581 -0.332 -3.588 563 1HB ASP 72 HB2 ASP 72 -21.106 1.339 -4.187 564 2HB ASP 72 HB3 ASP 72 -20.259 0.840 -5.638 565 H ASP 73 H ASP 73 -21.828 -2.800 -4.286 566 HA ASP 73 HA ASP 73 -24.165 -2.492 -2.838 567 1HB ASP 73 HB2 ASP 73 -23.617 -4.288 -4.387 568 2HB ASP 73 HB3 ASP 73 -22.507 -4.946 -3.183 569 H GLU 74 H GLU 74 -24.830 -2.520 -0.793 570 HA GLU 74 HA GLU 74 -23.041 -3.456 1.421 571 1HB GLU 74 HB2 GLU 74 -24.260 -0.815 1.197 572 2HB GLU 74 HB3 GLU 74 -24.131 -1.597 2.790 573 1HG GLU 74 HG2 GLU 74 -21.832 -1.308 0.790 574 2HG GLU 74 HG3 GLU 74 -22.168 -0.326 2.185 575 H VAL 75 H VAL 75 -23.939 -4.771 2.792 576 HA VAL 75 HA VAL 75 -25.237 -6.377 3.631 577 HB VAL 75 HB VAL 75 -27.296 -4.183 3.714 578 1HG1 VAL 75 1HG1 VAL 75 -28.597 -6.232 3.726 579 2HG1 VAL 75 2HG1 VAL 75 -27.507 -6.963 4.929 580 3HG1 VAL 75 3HG1 VAL 75 -28.536 -5.589 5.367 581 1HG2 VAL 75 1HG2 VAL 75 -26.770 -4.199 6.127 582 2HG2 VAL 75 2HG2 VAL 75 -25.580 -5.490 5.858 583 3HG2 VAL 75 3HG2 VAL 75 -25.324 -3.870 5.166 584 H GLU 76 H GLU 76 -27.276 -4.794 1.387 585 HA GLU 76 HA GLU 76 -28.187 -7.304 0.085 586 1HB GLU 76 HB2 GLU 76 -30.479 -6.763 0.411 587 2HB GLU 76 HB3 GLU 76 -29.705 -6.803 1.963 588 1HG GLU 76 HG2 GLU 76 -29.602 -4.298 1.961 589 2HG GLU 76 HG3 GLU 76 -30.375 -4.270 0.374 590 H GLU 77 H GLU 77 -27.758 -3.831 -0.056 591 HA GLU 77 HA GLU 77 -28.013 -3.730 -2.941 592 1HB GLU 77 HB2 GLU 77 -30.412 -3.629 -2.106 593 2HB GLU 77 HB3 GLU 77 -30.027 -2.065 -1.404 594 1HG GLU 77 HG2 GLU 77 -29.424 -1.189 -3.629 595 2HG GLU 77 HG3 GLU 77 -29.668 -2.783 -4.347 596 H SER 78 H SER 78 -28.236 -1.647 -0.056 597 HA SER 78 HA SER 78 -26.148 0.240 -0.947 598 1HB SER 78 HB2 SER 78 -27.865 2.072 -1.256 599 2HB SER 78 HB3 SER 78 -27.959 0.787 -2.462 600 HG SER 78 HG SER 78 -29.727 -0.098 -1.376 601 H PHE 79 H PHE 79 -26.970 -1.255 1.617 602 HA PHE 79 HA PHE 79 -28.322 0.369 3.454 603 1HB PHE 79 HB2 PHE 79 -27.956 -2.029 3.638 604 2HB PHE 79 HB3 PHE 79 -26.241 -1.778 3.942 605 HD1 PHE 79 HD1 PHE 79 -29.669 -1.397 5.311 606 HD2 PHE 79 HD2 PHE 79 -25.446 -1.102 6.159 607 HE1 PHE 79 HE1 PHE 79 -30.165 -1.259 7.738 608 HE2 PHE 79 HE2 PHE 79 -25.951 -0.989 8.589 609 HZ PHE 79 HZ PHE 79 -28.307 -1.051 9.382 Start of MODEL 10 1 1H GLY 1 H1 GLY 1 23.919 -15.830 3.371 2 2H GLY 1 H2 GLY 1 24.012 -17.441 3.652 3 3H GLY 1 H3 GLY 1 22.554 -16.730 3.444 4 1HA GLY 1 HA2 GLY 1 23.129 -17.936 1.449 5 2HA GLY 1 HA3 GLY 1 23.067 -16.191 1.148 6 H SER 2 H SER 2 24.373 -16.783 -0.707 7 HA SER 2 HA SER 2 27.312 -16.983 -0.133 8 1HB SER 2 HB2 SER 2 25.754 -18.537 -2.237 9 2HB SER 2 HB3 SER 2 27.507 -18.601 -1.973 10 HG SER 2 HG SER 2 26.424 -20.338 -0.970 11 H HIS 3 H HIS 3 25.429 -14.741 -1.042 12 HA HIS 3 HA HIS 3 27.131 -13.620 -3.163 13 1HB HIS 3 HB2 HIS 3 25.246 -13.084 -4.631 14 2HB HIS 3 HB3 HIS 3 25.403 -14.822 -4.428 15 HD2 HIS 3 HD2 HIS 3 23.355 -16.136 -3.419 16 HE1 HIS 3 HE1 HIS 3 20.775 -12.825 -2.672 17 HE2 HIS 3 HE2 HIS 3 20.931 -15.362 -2.723 18 H MET 4 H MET 4 26.222 -11.278 -3.685 19 HA MET 4 HA MET 4 25.475 -9.905 -1.133 20 1HB MET 4 HB2 MET 4 27.770 -9.112 -2.978 21 2HB MET 4 HB3 MET 4 27.210 -8.237 -1.558 22 1HG MET 4 HG2 MET 4 29.044 -9.326 -0.734 23 2HG MET 4 HG3 MET 4 27.732 -10.379 -0.219 24 1HE MET 4 HE1 MET 4 30.631 -12.933 -0.737 25 2HE MET 4 HE2 MET 4 30.718 -11.294 -0.053 26 3HE MET 4 HE3 MET 4 29.342 -12.348 0.340 27 H LEU 5 H LEU 5 24.678 -7.797 -1.306 28 HA LEU 5 HA LEU 5 22.724 -7.437 -3.326 29 1HB LEU 5 HB2 LEU 5 23.579 -6.086 -0.867 30 2HB LEU 5 HB3 LEU 5 22.821 -5.015 -2.028 31 HG LEU 5 HG LEU 5 21.563 -7.716 -1.411 32 1HD1 LEU 5 1HD1 LEU 5 21.126 -5.121 0.083 33 2HD1 LEU 5 2HD1 LEU 5 20.190 -6.630 0.268 34 3HD1 LEU 5 3HD1 LEU 5 21.917 -6.598 0.695 35 1HD2 LEU 5 1HD2 LEU 5 20.397 -5.036 -2.307 36 2HD2 LEU 5 2HD2 LEU 5 20.688 -6.434 -3.367 37 3HD2 LEU 5 3HD2 LEU 5 19.490 -6.550 -2.065 38 H LEU 6 H LEU 6 25.961 -6.227 -3.214 39 HA LEU 6 HA LEU 6 27.265 -4.829 -4.318 40 1HB LEU 6 HB2 LEU 6 26.568 -6.170 -6.249 41 2HB LEU 6 HB3 LEU 6 25.273 -5.018 -6.580 42 HG LEU 6 HG LEU 6 26.926 -3.240 -7.030 43 1HD1 LEU 6 1HD1 LEU 6 28.833 -3.962 -5.661 44 2HD1 LEU 6 2HD1 LEU 6 28.999 -5.443 -6.640 45 3HD1 LEU 6 3HD1 LEU 6 29.319 -3.843 -7.355 46 1HD2 LEU 6 1HD2 LEU 6 27.736 -4.135 -9.156 47 2HD2 LEU 6 2HD2 LEU 6 27.428 -5.793 -8.600 48 3HD2 LEU 6 3HD2 LEU 6 26.073 -4.665 -8.844 49 H GLU 7 H GLU 7 23.934 -3.720 -4.351 50 HA GLU 7 HA GLU 7 24.797 -1.095 -3.223 51 1HB GLU 7 HB2 GLU 7 22.666 -1.425 -5.374 52 2HB GLU 7 HB3 GLU 7 22.870 0.007 -4.357 53 1HG GLU 7 HG2 GLU 7 25.177 0.300 -5.218 54 2HG GLU 7 HG3 GLU 7 24.934 -1.083 -6.311 55 H PHE 8 H PHE 8 24.086 -1.179 -1.218 56 HA PHE 8 HA PHE 8 22.188 -3.100 -0.318 57 1HB PHE 8 HB2 PHE 8 23.445 -0.784 1.184 58 2HB PHE 8 HB3 PHE 8 22.658 -2.178 1.911 59 HD1 PHE 8 HD2 PHE 8 23.579 -4.541 1.274 60 HD2 PHE 8 HD1 PHE 8 25.800 -0.875 0.751 61 HE1 PHE 8 HE2 PHE 8 25.704 -5.831 1.139 62 HE2 PHE 8 HE1 PHE 8 27.910 -2.174 0.609 63 HZ PHE 8 HZ PHE 8 27.863 -4.646 0.801 64 H LYS 9 H LYS 9 21.519 -0.037 -1.544 65 HA LYS 9 HA LYS 9 19.458 1.019 -0.018 66 1HB LYS 9 HB2 LYS 9 18.900 2.319 -1.980 67 2HB LYS 9 HB3 LYS 9 20.644 2.137 -1.861 68 1HG LYS 9 HG2 LYS 9 20.429 0.206 -3.571 69 2HG LYS 9 HG3 LYS 9 18.749 0.722 -3.785 70 1HD LYS 9 HD2 LYS 9 19.588 3.012 -4.420 71 2HD LYS 9 HD3 LYS 9 21.249 2.400 -4.274 72 1HE LYS 9 HE2 LYS 9 20.647 0.624 -5.990 73 2HE LYS 9 HE3 LYS 9 19.091 1.443 -6.206 74 1HZ LYS 9 HZ1 LYS 9 21.771 2.554 -6.733 75 2HZ LYS 9 HZ2 LYS 9 20.632 2.173 -7.848 76 3HZ LYS 9 HZ3 LYS 9 20.375 3.434 -6.833 77 H GLN 10 H GLN 10 19.233 -1.760 -2.041 78 HA GLN 10 HA GLN 10 16.584 -1.416 -3.035 79 1HB GLN 10 HB2 GLN 10 18.098 -4.035 -2.994 80 2HB GLN 10 HB3 GLN 10 16.831 -3.546 -4.129 81 1HG GLN 10 HG2 GLN 10 18.349 -1.774 -5.023 82 2HG GLN 10 HG3 GLN 10 19.550 -2.293 -3.809 83 1HE2 GLN 10 2HE2 GLN 10 21.076 -3.627 -4.469 84 2HE2 GLN 10 1HE2 GLN 10 20.902 -4.746 -5.828 85 H PHE 11 H PHE 11 17.757 -2.712 -0.101 86 HA PHE 11 HA PHE 11 15.808 -4.560 0.459 87 1HB PHE 11 HB2 PHE 11 16.327 -4.384 2.772 88 2HB PHE 11 HB3 PHE 11 17.813 -4.068 1.894 89 HD1 PHE 11 HD1 PHE 11 17.792 -1.237 1.270 90 HD2 PHE 11 HD2 PHE 11 16.440 -3.247 4.826 91 HE1 PHE 11 HE1 PHE 11 18.245 0.781 2.533 92 HE2 PHE 11 HE2 PHE 11 16.972 -1.221 6.144 93 HZ PHE 11 HZ PHE 11 17.892 0.800 5.030 94 H LEU 12 H LEU 12 15.632 -1.098 0.430 95 HA LEU 12 HA LEU 12 13.129 -0.862 1.794 96 1HB LEU 12 HB2 LEU 12 15.260 0.876 1.097 97 2HB LEU 12 HB3 LEU 12 13.830 1.488 0.292 98 HG LEU 12 HG LEU 12 12.672 0.897 2.689 99 1HD1 LEU 12 1HD1 LEU 12 14.884 -0.121 3.417 100 2HD1 LEU 12 2HD1 LEU 12 15.551 1.525 3.417 101 3HD1 LEU 12 3HD1 LEU 12 14.206 1.124 4.517 102 1HD2 LEU 12 1HD2 LEU 12 14.294 3.323 2.020 103 2HD2 LEU 12 2HD2 LEU 12 12.642 2.924 1.484 104 3HD2 LEU 12 3HD2 LEU 12 12.959 3.213 3.220 105 H TYR 13 H TYR 13 14.076 -1.286 -1.368 106 HA TYR 13 HA TYR 13 11.728 -0.110 -2.675 107 1HB TYR 13 HB2 TYR 13 14.370 -1.300 -3.571 108 2HB TYR 13 HB3 TYR 13 13.122 -0.868 -4.708 109 HD1 TYR 13 HD2 TYR 13 14.826 0.728 -1.691 110 HD2 TYR 13 HD1 TYR 13 13.214 1.283 -5.642 111 HE1 TYR 13 HE2 TYR 13 14.978 3.143 -1.396 112 HE2 TYR 13 HE1 TYR 13 13.538 3.727 -5.403 113 HH TYR 13 HH TYR 13 14.206 5.436 -4.039 114 H GLU 14 H GLU 14 12.927 -3.325 -1.820 115 HA GLU 14 HA GLU 14 10.590 -4.794 -2.861 116 1HB GLU 14 HB2 GLU 14 12.810 -5.835 -2.444 117 2HB GLU 14 HB3 GLU 14 12.587 -5.573 -0.711 118 1HG GLU 14 HG2 GLU 14 10.637 -7.050 -0.703 119 2HG GLU 14 HG3 GLU 14 10.723 -7.211 -2.470 120 H ALA 15 H ALA 15 11.528 -3.307 0.188 121 HA ALA 15 HA ALA 15 9.645 -4.175 2.040 122 1HB ALA 15 HB1 ALA 15 10.596 -1.315 1.631 123 2HB ALA 15 HB2 ALA 15 10.065 -2.024 3.157 124 3HB ALA 15 HB3 ALA 15 11.583 -2.581 2.431 125 H SER 16 H SER 16 9.337 -1.782 -0.405 126 HA SER 16 HA SER 16 7.325 -0.103 0.368 127 1HB SER 16 HB2 SER 16 8.725 -1.078 -2.075 128 2HB SER 16 HB3 SER 16 7.196 -0.249 -2.401 129 HG SER 16 HG SER 16 8.378 1.472 -2.277 130 H ILE 17 H ILE 17 6.960 -3.283 -0.951 131 HA ILE 17 HA ILE 17 4.004 -3.123 -1.436 132 HB ILE 17 HB ILE 17 6.399 -3.536 -3.111 133 1HG1 ILE 17 2HG1 ILE 17 5.170 -2.709 -4.880 134 2HG1 ILE 17 3HG1 ILE 17 3.635 -3.221 -4.278 135 1HG2 ILE 17 1HG2 ILE 17 5.881 -5.888 -3.106 136 2HG2 ILE 17 2HG2 ILE 17 4.215 -5.538 -3.661 137 3HG2 ILE 17 3HG2 ILE 17 5.604 -5.157 -4.689 138 1HD1 ILE 17 1HD1 ILE 17 5.258 -0.974 -3.088 139 2HD1 ILE 17 2HD1 ILE 17 3.949 -0.744 -4.218 140 3HD1 ILE 17 3HD1 ILE 17 3.588 -1.388 -2.633 141 H ASP 18 H ASP 18 5.718 -4.159 0.818 142 HA ASP 18 HA ASP 18 5.211 -7.085 0.811 143 1HB ASP 18 HB2 ASP 18 7.483 -6.138 1.229 144 2HB ASP 18 HB3 ASP 18 6.862 -5.352 2.673 145 H GLU 19 H GLU 19 3.697 -4.352 2.054 146 HA GLU 19 HA GLU 19 2.123 -6.016 4.016 147 1HB GLU 19 HB2 GLU 19 2.943 -3.126 4.473 148 2HB GLU 19 HB3 GLU 19 1.834 -4.079 5.473 149 1HG GLU 19 HG2 GLU 19 3.744 -5.690 5.909 150 2HG GLU 19 HG3 GLU 19 4.810 -4.547 5.071 151 H PHE 20 H PHE 20 1.977 -2.737 2.546 152 HA PHE 20 HA PHE 20 -0.795 -2.391 2.629 153 1HB PHE 20 HB2 PHE 20 1.177 -1.505 0.455 154 2HB PHE 20 HB3 PHE 20 -0.453 -0.839 0.696 155 HD1 PHE 20 HD2 PHE 20 3.035 -0.877 1.872 156 HD2 PHE 20 HD1 PHE 20 -0.901 0.812 2.338 157 HE1 PHE 20 HE2 PHE 20 4.009 1.043 3.086 158 HE2 PHE 20 HE1 PHE 20 0.053 2.705 3.603 159 HZ PHE 20 HZ PHE 20 2.525 2.875 3.930 160 H MET 21 H MET 21 1.039 -3.707 -0.133 161 HA MET 21 HA MET 21 -0.987 -3.725 -2.073 162 1HB MET 21 HB2 MET 21 1.518 -5.344 -1.628 163 2HB MET 21 HB3 MET 21 0.402 -5.940 -2.850 164 1HG MET 21 HG2 MET 21 1.580 -3.151 -2.778 165 2HG MET 21 HG3 MET 21 2.121 -4.527 -3.769 166 1HE MET 21 HE1 MET 21 -1.517 -5.237 -4.285 167 2HE MET 21 HE2 MET 21 -1.377 -4.849 -6.003 168 3HE MET 21 HE3 MET 21 -0.141 -5.873 -5.230 169 H GLY 22 H GLY 22 -0.252 -6.169 0.381 170 1HA GLY 22 HA2 GLY 22 -2.350 -7.991 -0.481 171 2HA GLY 22 HA3 GLY 22 -1.381 -8.125 1.025 172 H LYS 23 H LYS 23 -2.199 -5.125 1.602 173 HA LYS 23 HA LYS 23 -4.364 -5.835 3.276 174 1HB LYS 23 HB2 LYS 23 -3.485 -4.414 4.629 175 2HB LYS 23 HB3 LYS 23 -2.118 -4.329 3.556 176 1HG LYS 23 HG2 LYS 23 -3.090 -2.438 2.429 177 2HG LYS 23 HG3 LYS 23 -4.484 -2.584 3.422 178 1HD LYS 23 HD2 LYS 23 -1.731 -2.229 4.597 179 2HD LYS 23 HD3 LYS 23 -2.797 -0.827 4.247 180 1HE LYS 23 HE2 LYS 23 -4.463 -1.778 5.825 181 2HE LYS 23 HE3 LYS 23 -3.413 -3.185 6.025 182 1HZ LYS 23 HZ1 LYS 23 -1.768 -1.739 7.054 183 2HZ LYS 23 HZ2 LYS 23 -2.766 -0.435 6.904 184 3HZ LYS 23 HZ3 LYS 23 -3.182 -1.695 7.866 185 H ILE 24 H ILE 24 -3.621 -3.824 0.458 186 HA ILE 24 HA ILE 24 -6.378 -3.124 -0.112 187 HB ILE 24 HB ILE 24 -5.359 -2.659 -2.449 188 1HG1 ILE 24 2HG1 ILE 24 -2.803 -3.202 -1.275 189 2HG1 ILE 24 3HG1 ILE 24 -3.602 -3.692 -2.790 190 1HG2 ILE 24 1HG2 ILE 24 -5.024 -0.515 -1.683 191 2HG2 ILE 24 2HG2 ILE 24 -5.920 -1.104 -0.331 192 3HG2 ILE 24 3HG2 ILE 24 -4.154 -1.025 -0.200 193 1HD1 ILE 24 1HD1 ILE 24 -2.030 -2.158 -3.351 194 2HD1 ILE 24 2HD1 ILE 24 -3.698 -1.535 -3.555 195 3HD1 ILE 24 3HD1 ILE 24 -2.674 -1.027 -2.132 196 H ALA 25 H ALA 25 -4.268 -5.667 -1.471 197 HA ALA 25 HA ALA 25 -6.230 -6.594 -3.279 198 1HB ALA 25 HB1 ALA 25 -4.010 -8.199 -1.971 199 2HB ALA 25 HB2 ALA 25 -4.943 -8.687 -3.401 200 3HB ALA 25 HB3 ALA 25 -3.896 -7.253 -3.478 201 H SER 26 H SER 26 -5.934 -6.920 0.129 202 HA SER 26 HA SER 26 -8.149 -8.844 0.339 203 1HB SER 26 HB2 SER 26 -6.104 -9.482 1.537 204 2HB SER 26 HB3 SER 26 -6.152 -7.941 2.432 205 HG SER 26 HG SER 26 -8.305 -8.575 3.046 206 H CYS 27 H CYS 27 -8.253 -5.619 -0.086 207 HA CYS 27 HA CYS 27 -8.991 -4.721 2.407 208 1HB CYS 27 HB2 CYS 27 -9.661 -2.730 1.338 209 2HB CYS 27 HB3 CYS 27 -8.215 -3.354 0.524 210 HG CYS 27 HG CYS 27 -9.020 -4.191 -1.519 211 H GLN 28 H GLN 28 -10.847 -6.305 0.009 212 HA GLN 28 HA GLN 28 -12.874 -7.184 -0.317 213 1HB GLN 28 HB2 GLN 28 -13.074 -6.896 2.694 214 2HB GLN 28 HB3 GLN 28 -14.173 -7.883 1.730 215 1HG GLN 28 HG2 GLN 28 -12.558 -9.505 1.275 216 2HG GLN 28 HG3 GLN 28 -11.214 -8.409 1.584 217 1HE2 GLN 28 1HE2 GLN 28 -10.721 -7.799 3.759 218 2HE2 GLN 28 2HE2 GLN 28 -11.343 -8.711 5.132 219 H THR 29 H THR 29 -12.769 -4.019 0.552 220 HA THR 29 HA THR 29 -15.621 -3.381 0.018 221 HB THR 29 HB THR 29 -15.559 -1.888 2.059 222 HG1 THR 29 HG1 THR 29 -13.327 -3.530 2.666 223 1HG2 THR 29 1HG2 THR 29 -16.917 -3.974 2.115 224 2HG2 THR 29 2HG2 THR 29 -15.536 -4.869 2.783 225 3HG2 THR 29 3HG2 THR 29 -16.282 -3.546 3.700 226 H LEU 30 H LEU 30 -15.798 -1.278 -0.839 227 HA LEU 30 HA LEU 30 -13.212 -0.162 -1.686 228 1HB LEU 30 HB2 LEU 30 -15.524 0.124 -2.954 229 2HB LEU 30 HB3 LEU 30 -15.816 1.304 -1.713 230 HG LEU 30 HG LEU 30 -13.098 1.796 -2.401 231 1HD1 LEU 30 1HD1 LEU 30 -12.825 0.622 -4.118 232 2HD1 LEU 30 2HD1 LEU 30 -14.452 0.899 -4.778 233 3HD1 LEU 30 3HD1 LEU 30 -13.261 2.158 -4.824 234 1HD2 LEU 30 1HD2 LEU 30 -15.480 3.053 -3.505 235 2HD2 LEU 30 2HD2 LEU 30 -14.736 3.321 -1.856 236 3HD2 LEU 30 3HD2 LEU 30 -13.784 3.732 -3.382 237 H GLU 31 H GLU 31 -15.717 0.368 0.611 238 HA GLU 31 HA GLU 31 -15.032 2.822 1.597 239 1HB GLU 31 HB2 GLU 31 -17.084 1.161 1.716 240 2HB GLU 31 HB3 GLU 31 -16.268 0.423 3.100 241 1HG GLU 31 HG2 GLU 31 -16.185 2.484 4.137 242 2HG GLU 31 HG3 GLU 31 -17.111 3.343 2.890 243 H GLY 32 H GLY 32 -13.920 -0.350 2.410 244 1HA GLY 32 HA2 GLY 32 -12.036 0.624 4.396 245 2HA GLY 32 HA3 GLY 32 -12.098 -1.055 3.765 246 H LEU 33 H LEU 33 -11.743 -0.307 0.990 247 HA LEU 33 HA LEU 33 -8.940 0.002 0.779 248 1HB LEU 33 HB2 LEU 33 -10.618 -0.854 -0.884 249 2HB LEU 33 HB3 LEU 33 -11.307 0.652 -1.110 250 HG LEU 33 HG LEU 33 -9.470 1.609 -2.289 251 1HD1 LEU 33 1HD1 LEU 33 -7.854 -0.816 -1.485 252 2HD1 LEU 33 2HD1 LEU 33 -7.442 0.304 -2.819 253 3HD1 LEU 33 3HD1 LEU 33 -7.512 0.910 -1.157 254 1HD2 LEU 33 1HD2 LEU 33 -9.632 -1.279 -3.086 255 2HD2 LEU 33 2HD2 LEU 33 -10.902 -0.064 -3.408 256 3HD2 LEU 33 3HD2 LEU 33 -9.295 0.120 -4.115 257 H GLU 34 H GLU 34 -11.446 2.305 0.479 258 HA GLU 34 HA GLU 34 -10.121 4.744 0.075 259 1HB GLU 34 HB2 GLU 34 -12.685 3.791 1.205 260 2HB GLU 34 HB3 GLU 34 -12.321 5.540 1.331 261 1HG GLU 34 HG2 GLU 34 -12.300 3.977 -1.340 262 2HG GLU 34 HG3 GLU 34 -13.649 4.846 -0.613 263 H GLU 35 H GLU 35 -10.765 2.944 3.000 264 HA GLU 35 HA GLU 35 -9.799 5.007 4.930 265 1HB GLU 35 HB2 GLU 35 -10.345 2.051 5.397 266 2HB GLU 35 HB3 GLU 35 -9.791 3.162 6.611 267 1HG GLU 35 HG2 GLU 35 -12.238 3.995 5.130 268 2HG GLU 35 HG3 GLU 35 -12.397 2.577 6.191 269 H LEU 36 H LEU 36 -8.652 1.996 3.500 270 HA LEU 36 HA LEU 36 -5.986 2.049 4.344 271 1HB LEU 36 HB2 LEU 36 -6.742 1.038 1.619 272 2HB LEU 36 HB3 LEU 36 -5.312 0.691 2.521 273 HG LEU 36 HG LEU 36 -8.047 -0.158 3.455 274 1HD1 LEU 36 1HD1 LEU 36 -7.479 -1.333 1.365 275 2HD1 LEU 36 2HD1 LEU 36 -5.861 -1.677 1.987 276 3HD1 LEU 36 3HD1 LEU 36 -7.300 -2.416 2.751 277 1HD2 LEU 36 1HD2 LEU 36 -5.249 -0.591 4.283 278 2HD2 LEU 36 2HD2 LEU 36 -6.607 0.061 5.236 279 3HD2 LEU 36 3HD2 LEU 36 -6.572 -1.670 4.817 280 H GLU 37 H GLU 37 -7.540 3.602 1.455 281 HA GLU 37 HA GLU 37 -5.394 4.671 0.382 282 1HB GLU 37 HB2 GLU 37 -7.626 4.629 -0.522 283 2HB GLU 37 HB3 GLU 37 -8.160 5.995 0.401 284 1HG GLU 37 HG2 GLU 37 -5.717 6.069 -1.298 285 2HG GLU 37 HG3 GLU 37 -7.285 6.121 -2.145 286 H ALA 38 H ALA 38 -7.612 6.102 2.752 287 HA ALA 38 HA ALA 38 -6.130 8.442 3.067 288 1HB ALA 38 HB1 ALA 38 -7.441 8.698 5.221 289 2HB ALA 38 HB2 ALA 38 -8.486 8.228 3.867 290 3HB ALA 38 HB3 ALA 38 -7.983 7.008 5.062 291 H TYR 39 H TYR 39 -6.005 5.333 4.979 292 HA TYR 39 HA TYR 39 -4.142 6.246 6.834 293 1HB TYR 39 HB2 TYR 39 -4.839 4.281 7.658 294 2HB TYR 39 HB3 TYR 39 -5.279 3.674 6.061 295 HD1 TYR 39 HD1 TYR 39 -3.811 2.397 4.665 296 HD2 TYR 39 HD2 TYR 39 -2.553 3.672 8.593 297 HE1 TYR 39 HE1 TYR 39 -1.787 1.122 4.384 298 HE2 TYR 39 HE2 TYR 39 -0.531 2.233 8.375 299 HH TYR 39 HH TYR 39 0.254 0.515 5.341 300 H TYR 40 H TYR 40 -3.593 4.831 3.644 301 HA TYR 40 HA TYR 40 -0.758 4.631 3.492 302 1HB TYR 40 HB2 TYR 40 -2.249 3.690 1.857 303 2HB TYR 40 HB3 TYR 40 -3.041 5.260 1.625 304 HD1 TYR 40 HD2 TYR 40 0.647 5.399 1.418 305 HD2 TYR 40 HD1 TYR 40 -3.073 4.710 -0.669 306 HE1 TYR 40 HE2 TYR 40 1.715 5.985 -0.721 307 HE2 TYR 40 HE1 TYR 40 -1.939 5.173 -2.809 308 HH TYR 40 HH TYR 40 1.328 6.504 -3.020 309 H LYS 41 H LYS 41 -2.911 7.381 2.390 310 HA LYS 41 HA LYS 41 -0.837 9.175 1.954 311 1HB LYS 41 HB2 LYS 41 -3.650 9.746 2.795 312 2HB LYS 41 HB3 LYS 41 -2.560 10.920 2.035 313 1HG LYS 41 HG2 LYS 41 -2.772 8.333 0.519 314 2HG LYS 41 HG3 LYS 41 -4.273 9.192 0.760 315 1HD LYS 41 HD2 LYS 41 -3.178 9.773 -1.365 316 2HD LYS 41 HD3 LYS 41 -3.249 11.221 -0.307 317 1HE LYS 41 HE2 LYS 41 -0.974 10.296 0.514 318 2HE LYS 41 HE3 LYS 41 -0.933 9.372 -0.979 319 1HZ LYS 41 HZ1 LYS 41 -1.138 12.323 -0.864 320 2HZ LYS 41 HZ2 LYS 41 0.209 11.483 -1.272 321 3HZ LYS 41 HZ3 LYS 41 -1.110 11.426 -2.233 322 H LYS 42 H LYS 42 -2.563 8.521 5.044 323 HA LYS 42 HA LYS 42 -1.694 10.654 6.664 324 1HB LYS 42 HB2 LYS 42 -2.836 7.869 6.914 325 2HB LYS 42 HB3 LYS 42 -2.564 8.784 8.313 326 1HG LYS 42 HG2 LYS 42 -4.276 9.797 6.042 327 2HG LYS 42 HG3 LYS 42 -4.906 8.819 7.390 328 1HD LYS 42 HD2 LYS 42 -4.387 10.609 8.958 329 2HD LYS 42 HD3 LYS 42 -3.556 11.525 7.663 330 1HE LYS 42 HE2 LYS 42 -5.761 11.215 6.332 331 2HE LYS 42 HE3 LYS 42 -6.503 10.758 7.863 332 1HZ LYS 42 HZ1 LYS 42 -6.813 13.106 7.426 333 2HZ LYS 42 HZ2 LYS 42 -5.887 12.931 8.761 334 3HZ LYS 42 HZ3 LYS 42 -5.201 13.368 7.326 335 H ARG 43 H ARG 43 -0.474 7.320 6.178 336 HA ARG 43 HA ARG 43 1.679 7.515 8.115 337 1HB ARG 43 HB2 ARG 43 0.742 5.380 7.575 338 2HB ARG 43 HB3 ARG 43 0.982 5.608 5.844 339 1HG ARG 43 HG2 ARG 43 3.378 5.552 6.073 340 2HG ARG 43 HG3 ARG 43 3.275 5.370 7.842 341 1HD ARG 43 HD2 ARG 43 1.923 3.372 5.998 342 2HD ARG 43 HD3 ARG 43 3.667 3.285 6.315 343 HE ARG 43 HE ARG 43 2.060 3.457 8.743 344 1HH1 ARG 43 1HH2 ARG 43 3.380 1.163 6.413 345 2HH1 ARG 43 2HH2 ARG 43 3.410 -0.129 7.594 346 1HH2 ARG 43 1HH1 ARG 43 2.051 1.742 10.141 347 2HH2 ARG 43 2HH1 ARG 43 2.670 0.197 9.635 348 H VAL 44 H VAL 44 1.638 8.015 4.518 349 HA VAL 44 HA VAL 44 4.232 7.546 4.053 350 HB VAL 44 HB VAL 44 1.915 9.059 2.877 351 1HG1 VAL 44 1HG1 VAL 44 2.953 9.611 0.840 352 2HG1 VAL 44 2HG1 VAL 44 3.535 10.617 2.176 353 3HG1 VAL 44 3HG1 VAL 44 4.592 9.312 1.534 354 1HG2 VAL 44 1HG2 VAL 44 2.282 7.289 1.235 355 2HG2 VAL 44 2HG2 VAL 44 3.809 6.848 2.087 356 3HG2 VAL 44 3HG2 VAL 44 2.286 6.657 2.899 357 H LYS 45 H LYS 45 3.006 10.599 5.108 358 HA LYS 45 HA LYS 45 5.376 12.122 4.903 359 1HB LYS 45 HB2 LYS 45 4.073 13.738 6.196 360 2HB LYS 45 HB3 LYS 45 3.062 12.872 5.030 361 1HG LYS 45 HG2 LYS 45 2.606 11.206 7.011 362 2HG LYS 45 HG3 LYS 45 3.341 12.492 7.999 363 1HD LYS 45 HD2 LYS 45 0.991 12.772 8.203 364 2HD LYS 45 HD3 LYS 45 1.518 14.086 7.128 365 1HE LYS 45 HE2 LYS 45 0.837 11.436 5.891 366 2HE LYS 45 HE3 LYS 45 -0.529 12.344 6.620 367 1HZ LYS 45 HZ1 LYS 45 1.234 13.459 4.531 368 2HZ LYS 45 HZ2 LYS 45 -0.280 12.875 4.288 369 3HZ LYS 45 HZ3 LYS 45 -0.063 14.208 5.214 370 H GLU 46 H GLU 46 4.219 9.976 7.311 371 HA GLU 46 HA GLU 46 5.840 10.612 9.652 372 1HB GLU 46 HB2 GLU 46 3.415 9.798 9.483 373 2HB GLU 46 HB3 GLU 46 4.174 8.217 9.256 374 1HG GLU 46 HG2 GLU 46 3.585 8.634 11.538 375 2HG GLU 46 HG3 GLU 46 5.298 8.329 11.312 376 H THR 47 H THR 47 6.244 8.953 6.803 377 HA THR 47 HA THR 47 8.718 7.732 7.718 378 HB THR 47 HB THR 47 7.144 5.978 8.211 379 HG1 THR 47 HG1 THR 47 8.882 4.994 7.701 380 1HG2 THR 47 1HG2 THR 47 5.904 4.790 6.410 381 2HG2 THR 47 2HG2 THR 47 5.364 6.450 6.752 382 3HG2 THR 47 3HG2 THR 47 6.326 6.110 5.297 383 H GLU 48 H GLU 48 8.538 6.069 5.045 384 HA GLU 48 HA GLU 48 10.060 8.107 3.583 385 1HB GLU 48 HB2 GLU 48 11.082 5.401 4.351 386 2HB GLU 48 HB3 GLU 48 12.000 6.710 3.571 387 1HG GLU 48 HG2 GLU 48 11.393 8.145 5.571 388 2HG GLU 48 HG3 GLU 48 10.833 6.658 6.348 389 H LEU 49 H LEU 49 7.650 7.002 2.773 390 HA LEU 49 HA LEU 49 7.922 5.256 0.519 391 1HB LEU 49 HB2 LEU 49 5.758 5.528 1.277 392 2HB LEU 49 HB3 LEU 49 5.918 7.211 1.534 393 HG LEU 49 HG LEU 49 4.349 7.288 0.085 394 1HD1 LEU 49 1HD1 LEU 49 4.860 8.170 -1.962 395 2HD1 LEU 49 2HD1 LEU 49 6.077 8.708 -0.768 396 3HD1 LEU 49 3HD1 LEU 49 6.447 7.455 -1.994 397 1HD2 LEU 49 1HD2 LEU 49 3.764 5.930 -1.627 398 2HD2 LEU 49 2HD2 LEU 49 5.357 5.175 -1.698 399 3HD2 LEU 49 3HD2 LEU 49 4.276 4.890 -0.301 400 H LYS 50 H LYS 50 8.433 5.477 -1.329 401 HA LYS 50 HA LYS 50 9.935 7.819 -2.423 402 1HB LYS 50 HB2 LYS 50 11.614 6.322 -3.208 403 2HB LYS 50 HB3 LYS 50 11.407 5.907 -1.561 404 1HG LYS 50 HG2 LYS 50 9.610 4.265 -3.151 405 2HG LYS 50 HG3 LYS 50 11.211 4.273 -3.904 406 1HD LYS 50 HD2 LYS 50 10.913 2.385 -2.316 407 2HD LYS 50 HD3 LYS 50 12.180 3.519 -1.764 408 1HE LYS 50 HE2 LYS 50 10.786 4.574 -0.243 409 2HE LYS 50 HE3 LYS 50 9.344 3.911 -0.905 410 1HZ LYS 50 HZ1 LYS 50 9.772 1.770 -0.140 411 2HZ LYS 50 HZ2 LYS 50 11.225 2.175 0.486 412 3HZ LYS 50 HZ3 LYS 50 9.833 2.801 1.127 413 H ASP 51 H ASP 51 10.238 6.990 -5.019 414 HA ASP 51 HA ASP 51 7.536 7.138 -6.075 415 1HB ASP 51 HB2 ASP 51 8.517 6.713 -8.221 416 2HB ASP 51 HB3 ASP 51 9.463 7.910 -7.326 417 H THR 52 H THR 52 9.718 4.424 -5.523 418 HA THR 52 HA THR 52 8.449 2.469 -7.001 419 HB THR 52 HB THR 52 9.822 2.313 -4.318 420 HG1 THR 52 HG1 THR 52 10.929 2.273 -6.929 421 1HG2 THR 52 1HG2 THR 52 10.816 0.112 -5.155 422 2HG2 THR 52 2HG2 THR 52 9.073 0.050 -4.860 423 3HG2 THR 52 3HG2 THR 52 9.671 0.193 -6.527 424 H ASP 53 H ASP 53 7.702 3.223 -3.466 425 HA ASP 53 HA ASP 53 5.787 1.006 -3.408 426 1HB ASP 53 HB2 ASP 53 4.848 2.774 -1.454 427 2HB ASP 53 HB3 ASP 53 5.830 1.370 -1.153 428 H ASP 54 H ASP 54 5.816 4.487 -3.843 429 HA ASP 54 HA ASP 54 3.071 4.891 -3.445 430 1HB ASP 54 HB2 ASP 54 5.076 6.508 -3.706 431 2HB ASP 54 HB3 ASP 54 4.823 6.452 -5.408 432 H ILE 55 H ILE 55 4.780 4.245 -6.474 433 HA ILE 55 HA ILE 55 2.343 4.593 -8.111 434 HB ILE 55 HB ILE 55 4.509 3.032 -9.392 435 1HG1 ILE 55 2HG1 ILE 55 5.408 5.761 -9.713 436 2HG1 ILE 55 3HG1 ILE 55 5.291 5.453 -8.032 437 1HG2 ILE 55 1HG2 ILE 55 2.452 3.802 -10.539 438 2HG2 ILE 55 2HG2 ILE 55 2.930 5.494 -10.242 439 3HG2 ILE 55 3HG2 ILE 55 3.930 4.449 -11.286 440 1HD1 ILE 55 1HD1 ILE 55 6.701 3.659 -10.079 441 2HD1 ILE 55 2HD1 ILE 55 7.495 4.643 -8.849 442 3HD1 ILE 55 3HD1 ILE 55 6.512 3.225 -8.369 443 H SER 56 H SER 56 4.291 1.859 -6.930 444 HA SER 56 HA SER 56 2.935 -0.103 -8.528 445 1HB SER 56 HB2 SER 56 4.879 0.028 -6.344 446 2HB SER 56 HB3 SER 56 3.904 -1.460 -6.320 447 HG SER 56 HG SER 56 5.861 -1.576 -7.615 448 H VAL 57 H VAL 57 2.524 0.998 -5.264 449 HA VAL 57 HA VAL 57 0.340 -0.785 -4.551 450 HB VAL 57 HB VAL 57 2.207 0.389 -3.073 451 1HG1 VAL 57 1HG1 VAL 57 -0.166 2.139 -2.581 452 2HG1 VAL 57 2HG1 VAL 57 1.391 2.069 -1.687 453 3HG1 VAL 57 3HG1 VAL 57 1.389 2.635 -3.373 454 1HG2 VAL 57 1HG2 VAL 57 0.851 -0.013 -1.130 455 2HG2 VAL 57 2HG2 VAL 57 -0.620 -0.088 -2.121 456 3HG2 VAL 57 3HG2 VAL 57 0.632 -1.342 -2.291 457 H ARG 58 H ARG 58 0.662 2.750 -5.298 458 HA ARG 58 HA ARG 58 -2.073 3.280 -5.030 459 1HB ARG 58 HB2 ARG 58 -0.445 4.993 -5.523 460 2HB ARG 58 HB3 ARG 58 -0.312 4.504 -7.195 461 1HG ARG 58 HG2 ARG 58 -1.717 6.435 -6.992 462 2HG ARG 58 HG3 ARG 58 -2.762 5.108 -7.485 463 1HD ARG 58 HD2 ARG 58 -3.498 4.888 -5.094 464 2HD ARG 58 HD3 ARG 58 -2.382 6.217 -4.673 465 HE ARG 58 HE ARG 58 -4.357 6.905 -6.730 466 1HH1 ARG 58 1HH2 ARG 58 -3.756 6.875 -3.250 467 2HH1 ARG 58 2HH2 ARG 58 -5.078 7.984 -2.959 468 1HH2 ARG 58 1HH1 ARG 58 -5.951 8.402 -6.232 469 2HH2 ARG 58 2HH1 ARG 58 -6.231 8.827 -4.555 470 H ASP 59 H ASP 59 -0.292 2.171 -7.880 471 HA ASP 59 HA ASP 59 -2.520 2.497 -9.586 472 1HB ASP 59 HB2 ASP 59 -0.196 2.210 -10.318 473 2HB ASP 59 HB3 ASP 59 -0.249 0.500 -9.881 474 H ALA 60 H ALA 60 -1.907 0.158 -7.336 475 HA ALA 60 HA ALA 60 -3.589 -2.070 -8.175 476 1HB ALA 60 HB1 ALA 60 -1.386 -2.650 -7.265 477 2HB ALA 60 HB2 ALA 60 -1.632 -1.634 -5.852 478 3HB ALA 60 HB3 ALA 60 -2.660 -3.083 -6.064 479 H LEU 61 H LEU 61 -3.230 0.342 -5.562 480 HA LEU 61 HA LEU 61 -5.532 -0.257 -4.096 481 1HB LEU 61 HB2 LEU 61 -3.354 0.870 -3.571 482 2HB LEU 61 HB3 LEU 61 -3.865 2.256 -4.527 483 HG LEU 61 HG LEU 61 -5.663 1.396 -2.447 484 1HD1 LEU 61 1HD1 LEU 61 -4.301 2.190 -0.560 485 2HD1 LEU 61 2HD1 LEU 61 -3.470 0.874 -1.430 486 3HD1 LEU 61 3HD1 LEU 61 -2.964 2.539 -1.709 487 1HD2 LEU 61 1HD2 LEU 61 -5.997 3.531 -3.645 488 2HD2 LEU 61 2HD2 LEU 61 -5.828 3.753 -1.897 489 3HD2 LEU 61 3HD2 LEU 61 -4.459 4.121 -2.972 490 H ALA 62 H ALA 62 -4.829 2.481 -6.376 491 HA ALA 62 HA ALA 62 -7.539 3.029 -6.878 492 1HB ALA 62 HB1 ALA 62 -6.733 4.319 -8.827 493 2HB ALA 62 HB2 ALA 62 -5.701 4.602 -7.411 494 3HB ALA 62 HB3 ALA 62 -5.154 3.521 -8.717 495 H GLY 63 H GLY 63 -5.574 0.525 -7.935 496 1HA GLY 63 HA2 GLY 63 -6.489 -0.466 -10.388 497 2HA GLY 63 HA3 GLY 63 -5.736 -1.348 -9.118 498 H LYS 64 H LYS 64 -7.074 -1.217 -7.002 499 HA LYS 64 HA LYS 64 -9.341 -2.955 -7.390 500 1HB LYS 64 HB2 LYS 64 -7.426 -3.218 -5.715 501 2HB LYS 64 HB3 LYS 64 -8.236 -1.985 -4.763 502 1HG LYS 64 HG2 LYS 64 -9.698 -3.540 -3.966 503 2HG LYS 64 HG3 LYS 64 -10.174 -3.958 -5.589 504 1HD LYS 64 HD2 LYS 64 -7.716 -5.116 -4.244 505 2HD LYS 64 HD3 LYS 64 -9.304 -5.895 -4.231 506 1HE LYS 64 HE2 LYS 64 -9.299 -5.905 -6.739 507 2HE LYS 64 HE3 LYS 64 -7.662 -5.231 -6.723 508 1HZ LYS 64 HZ1 LYS 64 -7.676 -7.625 -6.991 509 2HZ LYS 64 HZ2 LYS 64 -6.907 -7.227 -5.606 510 3HZ LYS 64 HZ3 LYS 64 -8.423 -7.842 -5.558 511 H ARG 65 H ARG 65 -8.898 0.384 -6.534 512 HA ARG 65 HA ARG 65 -11.285 0.887 -5.326 513 1HB ARG 65 HB2 ARG 65 -9.229 2.309 -5.824 514 2HB ARG 65 HB3 ARG 65 -10.084 2.859 -7.244 515 1HG ARG 65 HG2 ARG 65 -11.588 4.174 -5.931 516 2HG ARG 65 HG3 ARG 65 -11.519 3.041 -4.632 517 1HD ARG 65 HD2 ARG 65 -9.287 3.645 -3.985 518 2HD ARG 65 HD3 ARG 65 -9.007 4.482 -5.506 519 HE ARG 65 HE ARG 65 -10.380 5.579 -3.140 520 1HH1 ARG 65 1HH1 ARG 65 -9.927 6.150 -6.602 521 2HH1 ARG 65 2HH1 ARG 65 -10.401 7.813 -6.426 522 1HH2 ARG 65 1HH2 ARG 65 -10.972 7.547 -3.032 523 2HH2 ARG 65 2HH2 ARG 65 -10.996 8.627 -4.435 524 H ALA 66 H ALA 66 -10.567 0.880 -8.772 525 HA ALA 66 HA ALA 66 -13.193 1.655 -9.711 526 1HB ALA 66 HB1 ALA 66 -12.546 0.648 -11.840 527 2HB ALA 66 HB2 ALA 66 -11.261 1.713 -11.198 528 3HB ALA 66 HB3 ALA 66 -11.121 -0.073 -11.067 529 H GLU 67 H GLU 67 -11.880 -1.431 -8.620 530 HA GLU 67 HA GLU 67 -13.769 -3.254 -9.908 531 1HB GLU 67 HB2 GLU 67 -12.073 -3.622 -7.442 532 2HB GLU 67 HB3 GLU 67 -12.814 -4.876 -8.447 533 1HG GLU 67 HG2 GLU 67 -10.617 -2.932 -9.357 534 2HG GLU 67 HG3 GLU 67 -10.441 -4.485 -8.616 535 H LEU 68 H LEU 68 -13.214 -1.534 -6.956 536 HA LEU 68 HA LEU 68 -15.121 -2.970 -5.327 537 1HB LEU 68 HB2 LEU 68 -12.894 -1.187 -4.946 538 2HB LEU 68 HB3 LEU 68 -14.171 -1.189 -3.699 539 HG LEU 68 HG LEU 68 -12.680 -3.656 -4.754 540 1HD1 LEU 68 1HD1 LEU 68 -12.598 -2.049 -2.279 541 2HD1 LEU 68 2HD1 LEU 68 -11.802 -3.624 -2.647 542 3HD1 LEU 68 3HD1 LEU 68 -11.432 -2.183 -3.642 543 1HD2 LEU 68 1HD2 LEU 68 -13.728 -4.552 -2.511 544 2HD2 LEU 68 2HD2 LEU 68 -14.596 -3.011 -2.405 545 3HD2 LEU 68 3HD2 LEU 68 -15.034 -4.202 -3.658 546 H GLU 69 H GLU 69 -14.826 0.035 -6.962 547 HA GLU 69 HA GLU 69 -17.178 1.381 -6.124 548 1HB GLU 69 HB2 GLU 69 -14.906 1.502 -8.097 549 2HB GLU 69 HB3 GLU 69 -16.243 2.175 -8.590 550 1HG GLU 69 HG2 GLU 69 -16.228 3.592 -6.300 551 2HG GLU 69 HG3 GLU 69 -14.626 2.930 -6.158 552 H ASP 70 H ASP 70 -16.264 -0.825 -8.635 553 HA ASP 70 HA ASP 70 -18.943 -1.084 -9.899 554 1HB ASP 70 HB2 ASP 70 -16.259 -2.430 -10.209 555 2HB ASP 70 HB3 ASP 70 -17.667 -3.380 -10.585 556 H SER 71 H SER 71 -17.305 -2.087 -7.080 557 HA SER 71 HA SER 71 -19.538 -3.995 -6.436 558 1HB SER 71 HB2 SER 71 -17.173 -4.789 -6.289 559 2HB SER 71 HB3 SER 71 -16.942 -3.720 -4.880 560 HG SER 71 HG SER 71 -18.686 -4.823 -3.898 561 H ASP 72 H ASP 72 -19.706 -1.000 -6.279 562 HA ASP 72 HA ASP 72 -19.452 0.067 -3.759 563 1HB ASP 72 HB2 ASP 72 -19.768 1.412 -5.715 564 2HB ASP 72 HB3 ASP 72 -21.409 0.773 -5.955 565 H ASP 73 H ASP 73 -21.943 -2.095 -4.724 566 HA ASP 73 HA ASP 73 -23.224 -1.961 -2.060 567 1HB ASP 73 HB2 ASP 73 -24.619 -0.722 -3.825 568 2HB ASP 73 HB3 ASP 73 -24.951 -2.351 -4.443 569 H GLU 74 H GLU 74 -24.046 -3.909 -1.338 570 HA GLU 74 HA GLU 74 -22.118 -5.964 -2.301 571 1HB GLU 74 HB2 GLU 74 -22.596 -4.925 0.488 572 2HB GLU 74 HB3 GLU 74 -21.389 -6.137 0.017 573 1HG GLU 74 HG2 GLU 74 -20.427 -4.424 -1.609 574 2HG GLU 74 HG3 GLU 74 -21.502 -3.245 -0.902 575 H VAL 75 H VAL 75 -22.003 -7.960 -1.008 576 HA VAL 75 HA VAL 75 -24.100 -9.709 -1.395 577 HB VAL 75 HB VAL 75 -22.001 -9.875 0.800 578 1HG1 VAL 75 1HG1 VAL 75 -23.784 -12.060 -0.354 579 2HG1 VAL 75 2HG1 VAL 75 -22.385 -12.334 0.717 580 3HG1 VAL 75 3HG1 VAL 75 -23.817 -11.479 1.310 581 1HG2 VAL 75 1HG2 VAL 75 -22.092 -11.081 -2.003 582 2HG2 VAL 75 2HG2 VAL 75 -21.053 -9.737 -1.493 583 3HG2 VAL 75 3HG2 VAL 75 -20.813 -11.349 -0.801 584 H GLU 76 H GLU 76 -25.813 -10.380 -0.454 585 HA GLU 76 HA GLU 76 -27.665 -10.595 0.684 586 1HB GLU 76 HB2 GLU 76 -27.500 -11.451 2.725 587 2HB GLU 76 HB3 GLU 76 -25.808 -11.427 2.359 588 1HG GLU 76 HG2 GLU 76 -25.496 -9.365 3.681 589 2HG GLU 76 HG3 GLU 76 -27.239 -9.254 3.965 590 H GLU 77 H GLU 77 -26.107 -7.635 1.437 591 HA GLU 77 HA GLU 77 -28.417 -6.226 2.593 592 1HB GLU 77 HB2 GLU 77 -25.822 -5.177 1.395 593 2HB GLU 77 HB3 GLU 77 -27.057 -4.181 2.184 594 1HG GLU 77 HG2 GLU 77 -26.783 -5.534 4.273 595 2HG GLU 77 HG3 GLU 77 -25.448 -6.403 3.504 596 H SER 78 H SER 78 -27.007 -6.730 -0.568 597 HA SER 78 HA SER 78 -29.664 -6.156 -1.656 598 1HB SER 78 HB2 SER 78 -28.769 -4.830 -3.557 599 2HB SER 78 HB3 SER 78 -28.328 -4.065 -2.017 600 HG SER 78 HG SER 78 -26.276 -5.152 -2.197 601 H PHE 79 H PHE 79 -27.224 -8.392 -1.489 602 HA PHE 79 HA PHE 79 -28.017 -9.727 -3.999 603 1HB PHE 79 HB2 PHE 79 -26.097 -8.274 -4.509 604 2HB PHE 79 HB3 PHE 79 -25.138 -9.083 -3.286 605 HD1 PHE 79 HD1 PHE 79 -27.163 -9.819 -6.379 606 HD2 PHE 79 HD2 PHE 79 -23.745 -10.880 -3.962 607 HE1 PHE 79 HE1 PHE 79 -26.427 -11.450 -8.115 608 HE2 PHE 79 HE2 PHE 79 -23.010 -12.492 -5.702 609 HZ PHE 79 HZ PHE 79 -24.344 -12.769 -7.789 Start of MODEL 11 1 1H GLY 1 H1 GLY 1 26.512 -14.183 3.485 2 2H GLY 1 H2 GLY 1 25.085 -14.922 3.800 3 3H GLY 1 H3 GLY 1 26.209 -14.776 4.982 4 1HA GLY 1 HA2 GLY 1 25.987 -12.381 4.999 5 2HA GLY 1 HA3 GLY 1 24.793 -12.520 3.696 6 H SER 2 H SER 2 24.850 -11.682 6.701 7 HA SER 2 HA SER 2 22.356 -13.102 7.554 8 1HB SER 2 HB2 SER 2 24.796 -12.517 9.278 9 2HB SER 2 HB3 SER 2 23.302 -13.299 9.813 10 HG SER 2 HG SER 2 24.967 -14.800 9.329 11 H HIS 3 H HIS 3 23.107 -10.217 6.571 12 HA HIS 3 HA HIS 3 21.679 -8.671 8.673 13 1HB HIS 3 HB2 HIS 3 24.381 -7.900 7.486 14 2HB HIS 3 HB3 HIS 3 23.432 -6.931 8.607 15 HD2 HIS 3 HD2 HIS 3 23.218 -7.860 11.186 16 HE1 HIS 3 HE1 HIS 3 26.560 -10.499 10.950 17 HE2 HIS 3 HE2 HIS 3 24.920 -9.360 12.528 18 H MET 4 H MET 4 21.064 -6.499 7.960 19 HA MET 4 HA MET 4 19.904 -6.289 5.332 20 1HB MET 4 HB2 MET 4 20.494 -4.184 7.471 21 2HB MET 4 HB3 MET 4 19.582 -3.885 5.995 22 1HG MET 4 HG2 MET 4 17.949 -4.208 7.610 23 2HG MET 4 HG3 MET 4 17.976 -5.704 6.685 24 1HE MET 4 HE1 MET 4 16.532 -6.946 8.475 25 2HE MET 4 HE2 MET 4 16.862 -6.918 10.220 26 3HE MET 4 HE3 MET 4 16.415 -5.414 9.382 27 H LEU 5 H LEU 5 20.282 -4.663 3.763 28 HA LEU 5 HA LEU 5 22.912 -4.901 2.655 29 1HB LEU 5 HB2 LEU 5 20.597 -3.196 1.785 30 2HB LEU 5 HB3 LEU 5 22.053 -3.583 0.852 31 HG LEU 5 HG LEU 5 19.878 -5.522 1.780 32 1HD1 LEU 5 1HD1 LEU 5 19.539 -4.086 -0.209 33 2HD1 LEU 5 2HD1 LEU 5 21.025 -4.788 -0.899 34 3HD1 LEU 5 3HD1 LEU 5 19.598 -5.828 -0.592 35 1HD2 LEU 5 1HD2 LEU 5 22.531 -6.181 0.427 36 2HD2 LEU 5 2HD2 LEU 5 21.949 -6.794 2.002 37 3HD2 LEU 5 3HD2 LEU 5 21.140 -7.278 0.517 38 H LEU 6 H LEU 6 21.217 -2.135 4.066 39 HA LEU 6 HA LEU 6 21.724 -0.093 4.774 40 1HB LEU 6 HB2 LEU 6 24.332 -1.391 5.586 41 2HB LEU 6 HB3 LEU 6 23.679 0.094 6.263 42 HG LEU 6 HG LEU 6 22.374 -2.659 6.490 43 1HD1 LEU 6 1HD1 LEU 6 24.439 -2.455 7.814 44 2HD1 LEU 6 2HD1 LEU 6 23.826 -0.959 8.557 45 3HD1 LEU 6 3HD1 LEU 6 23.002 -2.514 8.849 46 1HD2 LEU 6 1HD2 LEU 6 21.614 0.008 7.732 47 2HD2 LEU 6 2HD2 LEU 6 20.663 -0.907 6.539 48 3HD2 LEU 6 3HD2 LEU 6 20.908 -1.564 8.160 49 H GLU 7 H GLU 7 23.778 -1.016 2.225 50 HA GLU 7 HA GLU 7 24.250 1.871 1.574 51 1HB GLU 7 HB2 GLU 7 26.445 1.435 0.783 52 2HB GLU 7 HB3 GLU 7 26.311 0.822 2.427 53 1HG GLU 7 HG2 GLU 7 26.022 -1.493 1.526 54 2HG GLU 7 HG3 GLU 7 26.231 -0.862 -0.115 55 H PHE 8 H PHE 8 22.390 -0.448 0.660 56 HA PHE 8 HA PHE 8 22.342 0.370 -2.190 57 1HB PHE 8 HB2 PHE 8 22.029 -2.515 -1.281 58 2HB PHE 8 HB3 PHE 8 21.857 -1.910 -2.923 59 HD1 PHE 8 HD2 PHE 8 23.977 -0.673 -3.935 60 HD2 PHE 8 HD1 PHE 8 24.093 -3.457 -0.641 61 HE1 PHE 8 HE2 PHE 8 26.379 -1.136 -4.392 62 HE2 PHE 8 HE1 PHE 8 26.488 -3.906 -1.099 63 HZ PHE 8 HZ PHE 8 27.633 -2.753 -2.980 64 H LYS 9 H LYS 9 20.306 0.592 -3.008 65 HA LYS 9 HA LYS 9 18.202 1.268 -1.295 66 1HB LYS 9 HB2 LYS 9 18.212 0.688 -4.274 67 2HB LYS 9 HB3 LYS 9 16.844 1.400 -3.414 68 1HG LYS 9 HG2 LYS 9 18.244 3.297 -2.674 69 2HG LYS 9 HG3 LYS 9 19.635 2.641 -3.532 70 1HD LYS 9 HD2 LYS 9 17.004 3.498 -4.839 71 2HD LYS 9 HD3 LYS 9 18.485 4.472 -4.760 72 1HE LYS 9 HE2 LYS 9 19.706 2.697 -6.028 73 2HE LYS 9 HE3 LYS 9 18.191 1.792 -6.190 74 1HZ LYS 9 HZ1 LYS 9 17.274 3.660 -7.397 75 2HZ LYS 9 HZ2 LYS 9 18.669 4.505 -7.236 76 3HZ LYS 9 HZ3 LYS 9 18.642 3.122 -8.121 77 H GLN 10 H GLN 10 18.773 -1.914 -2.609 78 HA GLN 10 HA GLN 10 16.197 -2.383 -3.369 79 1HB GLN 10 HB2 GLN 10 17.913 -4.769 -2.701 80 2HB GLN 10 HB3 GLN 10 16.730 -4.590 -4.022 81 1HG GLN 10 HG2 GLN 10 18.283 -2.833 -5.004 82 2HG GLN 10 HG3 GLN 10 19.412 -3.269 -3.706 83 1HE2 GLN 10 2HE2 GLN 10 20.001 -3.425 -6.493 84 2HE2 GLN 10 1HE2 GLN 10 20.229 -5.129 -6.881 85 H PHE 11 H PHE 11 17.568 -3.209 -0.285 86 HA PHE 11 HA PHE 11 15.582 -4.904 0.653 87 1HB PHE 11 HB2 PHE 11 16.216 -4.389 2.873 88 2HB PHE 11 HB3 PHE 11 17.657 -4.503 1.873 89 HD1 PHE 11 HD1 PHE 11 17.712 -1.615 0.746 90 HD2 PHE 11 HD2 PHE 11 17.114 -3.207 4.716 91 HE1 PHE 11 HE1 PHE 11 18.553 0.435 1.664 92 HE2 PHE 11 HE2 PHE 11 18.046 -1.117 5.662 93 HZ PHE 11 HZ PHE 11 18.792 0.712 4.159 94 H LEU 12 H LEU 12 15.533 -1.439 0.198 95 HA LEU 12 HA LEU 12 13.120 -0.936 1.733 96 1HB LEU 12 HB2 LEU 12 15.313 0.633 0.636 97 2HB LEU 12 HB3 LEU 12 13.796 1.256 0.049 98 HG LEU 12 HG LEU 12 13.109 0.860 2.681 99 1HD1 LEU 12 1HD1 LEU 12 15.400 -0.089 3.067 100 2HD1 LEU 12 2HD1 LEU 12 16.074 1.494 2.675 101 3HD1 LEU 12 3HD1 LEU 12 15.008 1.315 4.105 102 1HD2 LEU 12 1HD2 LEU 12 12.822 2.786 1.284 103 2HD2 LEU 12 2HD2 LEU 12 13.425 3.219 2.910 104 3HD2 LEU 12 3HD2 LEU 12 14.524 3.230 1.492 105 H TYR 13 H TYR 13 13.994 -1.547 -1.507 106 HA TYR 13 HA TYR 13 11.497 -0.544 -2.658 107 1HB TYR 13 HB2 TYR 13 14.075 -1.714 -3.712 108 2HB TYR 13 HB3 TYR 13 12.696 -1.529 -4.761 109 HD1 TYR 13 HD1 TYR 13 13.281 0.999 -2.059 110 HD2 TYR 13 HD2 TYR 13 13.886 0.060 -6.231 111 HE1 TYR 13 HE1 TYR 13 13.691 3.307 -2.459 112 HE2 TYR 13 HE2 TYR 13 14.352 2.468 -6.651 113 HH TYR 13 HH TYR 13 14.173 4.615 -5.764 114 H GLU 14 H GLU 14 12.771 -3.681 -1.707 115 HA GLU 14 HA GLU 14 10.402 -5.223 -2.543 116 1HB GLU 14 HB2 GLU 14 12.618 -6.252 -2.051 117 2HB GLU 14 HB3 GLU 14 12.416 -5.813 -0.346 118 1HG GLU 14 HG2 GLU 14 10.438 -7.276 -0.189 119 2HG GLU 14 HG3 GLU 14 10.533 -7.618 -1.923 120 H ALA 15 H ALA 15 11.437 -3.555 0.409 121 HA ALA 15 HA ALA 15 9.507 -4.098 2.283 122 1HB ALA 15 HB1 ALA 15 11.505 -2.444 2.397 123 2HB ALA 15 HB2 ALA 15 10.425 -1.279 1.591 124 3HB ALA 15 HB3 ALA 15 10.010 -1.896 3.186 125 H SER 16 H SER 16 9.263 -1.829 -0.356 126 HA SER 16 HA SER 16 7.100 -0.274 0.245 127 1HB SER 16 HB2 SER 16 8.601 -1.204 -2.149 128 2HB SER 16 HB3 SER 16 7.111 -0.289 -2.448 129 HG SER 16 HG SER 16 8.296 1.397 -2.089 130 H ILE 17 H ILE 17 7.027 -3.508 -1.017 131 HA ILE 17 HA ILE 17 4.076 -3.492 -1.624 132 HB ILE 17 HB ILE 17 6.536 -4.722 -2.876 133 1HG1 ILE 17 2HG1 ILE 17 5.330 -4.046 -5.013 134 2HG1 ILE 17 3HG1 ILE 17 4.086 -3.288 -4.052 135 1HG2 ILE 17 1HG2 ILE 17 5.172 -6.718 -2.678 136 2HG2 ILE 17 2HG2 ILE 17 3.764 -5.875 -3.339 137 3HG2 ILE 17 3HG2 ILE 17 5.188 -6.178 -4.346 138 1HD1 ILE 17 1HD1 ILE 17 5.448 -1.543 -3.392 139 2HD1 ILE 17 2HD1 ILE 17 6.969 -2.445 -3.712 140 3HD1 ILE 17 3HD1 ILE 17 5.993 -1.843 -5.040 141 H ASP 18 H ASP 18 6.018 -4.303 0.808 142 HA ASP 18 HA ASP 18 5.345 -7.141 1.238 143 1HB ASP 18 HB2 ASP 18 7.614 -6.191 1.674 144 2HB ASP 18 HB3 ASP 18 6.937 -5.216 2.981 145 H GLU 19 H GLU 19 4.027 -4.138 2.155 146 HA GLU 19 HA GLU 19 2.236 -5.401 4.229 147 1HB GLU 19 HB2 GLU 19 3.091 -2.500 4.031 148 2HB GLU 19 HB3 GLU 19 1.884 -3.150 5.148 149 1HG GLU 19 HG2 GLU 19 3.591 -4.514 6.259 150 2HG GLU 19 HG3 GLU 19 4.827 -3.929 5.129 151 H PHE 20 H PHE 20 2.131 -2.414 2.288 152 HA PHE 20 HA PHE 20 -0.623 -2.200 2.295 153 1HB PHE 20 HB2 PHE 20 1.333 -1.283 0.100 154 2HB PHE 20 HB3 PHE 20 -0.303 -0.643 0.325 155 HD1 PHE 20 HD2 PHE 20 3.162 -0.722 1.648 156 HD2 PHE 20 HD1 PHE 20 -0.764 1.063 1.936 157 HE1 PHE 20 HE2 PHE 20 4.068 1.033 3.104 158 HE2 PHE 20 HE1 PHE 20 0.162 2.842 3.390 159 HZ PHE 20 HZ PHE 20 2.584 2.846 3.992 160 H MET 21 H MET 21 1.281 -3.611 -0.388 161 HA MET 21 HA MET 21 -0.827 -3.743 -2.299 162 1HB MET 21 HB2 MET 21 1.736 -5.321 -1.957 163 2HB MET 21 HB3 MET 21 0.573 -5.788 -3.207 164 1HG MET 21 HG2 MET 21 1.854 -3.086 -2.895 165 2HG MET 21 HG3 MET 21 2.294 -4.338 -4.077 166 1HE MET 21 HE1 MET 21 -1.154 -4.343 -6.226 167 2HE MET 21 HE2 MET 21 0.153 -5.393 -5.642 168 3HE MET 21 HE3 MET 21 -1.226 -4.970 -4.581 169 H GLY 22 H GLY 22 0.029 -6.086 0.212 170 1HA GLY 22 HA2 GLY 22 -2.073 -7.932 -0.614 171 2HA GLY 22 HA3 GLY 22 -1.069 -8.066 0.879 172 H LYS 23 H LYS 23 -1.884 -5.065 1.462 173 HA LYS 23 HA LYS 23 -4.026 -5.791 3.154 174 1HB LYS 23 HB2 LYS 23 -3.142 -4.317 4.453 175 2HB LYS 23 HB3 LYS 23 -1.817 -4.192 3.343 176 1HG LYS 23 HG2 LYS 23 -2.871 -2.355 2.239 177 2HG LYS 23 HG3 LYS 23 -4.246 -2.549 3.251 178 1HD LYS 23 HD2 LYS 23 -1.492 -2.060 4.376 179 2HD LYS 23 HD3 LYS 23 -2.655 -0.727 4.071 180 1HE LYS 23 HE2 LYS 23 -4.225 -1.852 5.677 181 2HE LYS 23 HE3 LYS 23 -3.025 -3.130 5.851 182 1HZ LYS 23 HZ1 LYS 23 -2.925 -1.609 7.687 183 2HZ LYS 23 HZ2 LYS 23 -1.524 -1.495 6.847 184 3HZ LYS 23 HZ3 LYS 23 -2.668 -0.317 6.709 185 H ILE 24 H ILE 24 -3.392 -3.804 0.309 186 HA ILE 24 HA ILE 24 -6.161 -3.118 -0.204 187 HB ILE 24 HB ILE 24 -5.207 -2.632 -2.548 188 1HG1 ILE 24 2HG1 ILE 24 -2.657 -3.306 -1.510 189 2HG1 ILE 24 3HG1 ILE 24 -3.484 -3.595 -3.048 190 1HG2 ILE 24 1HG2 ILE 24 -5.770 -1.083 -0.513 191 2HG2 ILE 24 2HG2 ILE 24 -4.009 -1.059 -0.253 192 3HG2 ILE 24 3HG2 ILE 24 -4.764 -0.501 -1.790 193 1HD1 ILE 24 1HD1 ILE 24 -2.413 -1.015 -2.172 194 2HD1 ILE 24 2HD1 ILE 24 -1.870 -2.061 -3.496 195 3HD1 ILE 24 3HD1 ILE 24 -3.507 -1.366 -3.598 196 H ALA 25 H ALA 25 -4.040 -5.659 -1.599 197 HA ALA 25 HA ALA 25 -6.026 -6.548 -3.390 198 1HB ALA 25 HB1 ALA 25 -4.737 -8.658 -3.547 199 2HB ALA 25 HB2 ALA 25 -3.698 -7.227 -3.653 200 3HB ALA 25 HB3 ALA 25 -3.770 -8.162 -2.135 201 H SER 26 H SER 26 -5.648 -6.932 0.001 202 HA SER 26 HA SER 26 -7.835 -8.878 0.246 203 1HB SER 26 HB2 SER 26 -5.754 -9.460 1.426 204 2HB SER 26 HB3 SER 26 -5.831 -7.922 2.322 205 HG SER 26 HG SER 26 -7.966 -8.609 2.947 206 H CYS 27 H CYS 27 -7.982 -5.638 -0.171 207 HA CYS 27 HA CYS 27 -8.712 -4.751 2.324 208 1HB CYS 27 HB2 CYS 27 -9.439 -2.786 1.245 209 2HB CYS 27 HB3 CYS 27 -8.006 -3.367 0.401 210 HG CYS 27 HG CYS 27 -8.800 -4.159 -1.642 211 H GLN 28 H GLN 28 -10.553 -6.340 -0.070 212 HA GLN 28 HA GLN 28 -12.553 -7.244 -0.440 213 1HB GLN 28 HB2 GLN 28 -12.762 -7.086 2.588 214 2HB GLN 28 HB3 GLN 28 -13.814 -8.085 1.586 215 1HG GLN 28 HG2 GLN 28 -12.144 -9.626 1.097 216 2HG GLN 28 HG3 GLN 28 -10.837 -8.498 1.428 217 1HE2 GLN 28 1HE2 GLN 28 -10.286 -7.957 3.580 218 2HE2 GLN 28 2HE2 GLN 28 -10.889 -8.880 4.954 219 H THR 29 H THR 29 -12.536 -4.131 0.507 220 HA THR 29 HA THR 29 -15.410 -3.565 0.017 221 HB THR 29 HB THR 29 -15.351 -2.092 2.088 222 HG1 THR 29 HG1 THR 29 -13.087 -3.695 2.645 223 1HG2 THR 29 1HG2 THR 29 -15.302 -5.072 2.733 224 2HG2 THR 29 2HG2 THR 29 -16.105 -3.800 3.668 225 3HG2 THR 29 3HG2 THR 29 -16.687 -4.209 2.039 226 H LEU 30 H LEU 30 -15.654 -1.429 -0.774 227 HA LEU 30 HA LEU 30 -13.118 -0.240 -1.646 228 1HB LEU 30 HB2 LEU 30 -15.474 0.003 -2.863 229 2HB LEU 30 HB3 LEU 30 -15.758 1.168 -1.596 230 HG LEU 30 HG LEU 30 -13.079 1.737 -2.360 231 1HD1 LEU 30 1HD1 LEU 30 -14.493 0.859 -4.698 232 2HD1 LEU 30 2HD1 LEU 30 -13.333 2.155 -4.757 233 3HD1 LEU 30 3HD1 LEU 30 -12.837 0.611 -4.096 234 1HD2 LEU 30 1HD2 LEU 30 -14.732 3.191 -1.718 235 2HD2 LEU 30 2HD2 LEU 30 -13.854 3.676 -3.261 236 3HD2 LEU 30 3HD2 LEU 30 -15.530 2.950 -3.339 237 H GLU 31 H GLU 31 -15.592 0.205 0.681 238 HA GLU 31 HA GLU 31 -14.918 2.648 1.714 239 1HB GLU 31 HB2 GLU 31 -16.951 0.932 1.840 240 2HB GLU 31 HB3 GLU 31 -16.094 0.203 3.189 241 1HG GLU 31 HG2 GLU 31 -16.017 2.290 4.235 242 2HG GLU 31 HG3 GLU 31 -17.054 3.084 3.035 243 H GLY 32 H GLY 32 -13.743 -0.530 2.438 244 1HA GLY 32 HA2 GLY 32 -11.844 0.448 4.432 245 2HA GLY 32 HA3 GLY 32 -11.877 -1.222 3.773 246 H LEU 33 H LEU 33 -11.601 -0.391 0.989 247 HA LEU 33 HA LEU 33 -8.803 -0.021 0.743 248 1HB LEU 33 HB2 LEU 33 -10.460 -0.888 -0.896 249 2HB LEU 33 HB3 LEU 33 -11.219 0.584 -1.072 250 HG LEU 33 HG LEU 33 -9.419 1.664 -2.255 251 1HD1 LEU 33 1HD1 LEU 33 -7.440 0.921 -1.168 252 2HD1 LEU 33 2HD1 LEU 33 -7.769 -0.789 -1.597 253 3HD1 LEU 33 3HD1 LEU 33 -7.396 0.420 -2.866 254 1HD2 LEU 33 1HD2 LEU 33 -10.868 0.010 -3.409 255 2HD2 LEU 33 2HD2 LEU 33 -9.281 0.286 -4.147 256 3HD2 LEU 33 3HD2 LEU 33 -9.538 -1.170 -3.193 257 H GLU 34 H GLU 34 -11.330 2.247 0.439 258 HA GLU 34 HA GLU 34 -10.066 4.711 0.133 259 1HB GLU 34 HB2 GLU 34 -12.578 3.674 1.295 260 2HB GLU 34 HB3 GLU 34 -12.267 5.433 1.437 261 1HG GLU 34 HG2 GLU 34 -12.257 3.908 -1.252 262 2HG GLU 34 HG3 GLU 34 -13.627 4.700 -0.470 263 H GLU 35 H GLU 35 -10.621 2.810 3.020 264 HA GLU 35 HA GLU 35 -9.649 4.825 4.991 265 1HB GLU 35 HB2 GLU 35 -10.154 1.853 5.411 266 2HB GLU 35 HB3 GLU 35 -9.573 2.962 6.631 267 1HG GLU 35 HG2 GLU 35 -12.065 3.765 5.196 268 2HG GLU 35 HG3 GLU 35 -12.166 2.352 6.273 269 H LEU 36 H LEU 36 -8.474 1.851 3.468 270 HA LEU 36 HA LEU 36 -5.819 1.989 4.292 271 1HB LEU 36 HB2 LEU 36 -6.324 0.991 1.502 272 2HB LEU 36 HB3 LEU 36 -5.044 0.652 2.602 273 HG LEU 36 HG LEU 36 -7.846 -0.191 3.232 274 1HD1 LEU 36 1HD1 LEU 36 -7.085 -2.450 2.551 275 2HD1 LEU 36 2HD1 LEU 36 -7.238 -1.331 1.189 276 3HD1 LEU 36 3HD1 LEU 36 -5.637 -1.701 1.828 277 1HD2 LEU 36 1HD2 LEU 36 -6.533 -1.766 4.677 278 2HD2 LEU 36 2HD2 LEU 36 -5.134 -0.723 4.262 279 3HD2 LEU 36 3HD2 LEU 36 -6.527 -0.044 5.122 280 H GLU 37 H GLU 37 -7.431 3.597 1.490 281 HA GLU 37 HA GLU 37 -5.317 4.772 0.410 282 1HB GLU 37 HB2 GLU 37 -7.657 4.649 -0.354 283 2HB GLU 37 HB3 GLU 37 -8.063 6.104 0.470 284 1HG GLU 37 HG2 GLU 37 -5.739 5.852 -1.430 285 2HG GLU 37 HG3 GLU 37 -7.376 6.048 -2.106 286 H ALA 38 H ALA 38 -7.565 6.059 2.835 287 HA ALA 38 HA ALA 38 -6.159 8.436 3.230 288 1HB ALA 38 HB1 ALA 38 -7.390 8.513 5.449 289 2HB ALA 38 HB2 ALA 38 -8.472 8.127 4.091 290 3HB ALA 38 HB3 ALA 38 -7.907 6.827 5.172 291 H TYR 39 H TYR 39 -5.895 5.250 4.965 292 HA TYR 39 HA TYR 39 -3.991 6.064 6.842 293 1HB TYR 39 HB2 TYR 39 -4.687 4.060 7.547 294 2HB TYR 39 HB3 TYR 39 -5.087 3.530 5.917 295 HD1 TYR 39 HD1 TYR 39 -3.595 2.368 4.484 296 HD2 TYR 39 HD2 TYR 39 -2.377 3.508 8.461 297 HE1 TYR 39 HE1 TYR 39 -1.531 1.175 4.158 298 HE2 TYR 39 HE2 TYR 39 -0.310 2.146 8.182 299 HH TYR 39 HH TYR 39 0.562 0.650 5.068 300 H TYR 40 H TYR 40 -3.538 4.905 3.528 301 HA TYR 40 HA TYR 40 -0.689 4.817 3.286 302 1HB TYR 40 HB2 TYR 40 -1.985 3.965 1.489 303 2HB TYR 40 HB3 TYR 40 -3.069 5.351 1.528 304 HD1 TYR 40 HD1 TYR 40 0.611 4.863 0.665 305 HD2 TYR 40 HD2 TYR 40 -3.230 6.611 -0.254 306 HE1 TYR 40 HE1 TYR 40 1.586 6.071 -1.293 307 HE2 TYR 40 HE2 TYR 40 -2.214 7.875 -2.092 308 HH TYR 40 HH TYR 40 1.232 7.693 -2.943 309 H LYS 41 H LYS 41 -2.965 7.524 2.494 310 HA LYS 41 HA LYS 41 -0.978 9.459 2.101 311 1HB LYS 41 HB2 LYS 41 -3.764 9.848 3.121 312 2HB LYS 41 HB3 LYS 41 -2.733 11.123 2.469 313 1HG LYS 41 HG2 LYS 41 -2.835 8.734 0.688 314 2HG LYS 41 HG3 LYS 41 -4.408 9.360 1.063 315 1HD LYS 41 HD2 LYS 41 -3.602 10.346 -0.969 316 2HD LYS 41 HD3 LYS 41 -3.521 11.652 0.234 317 1HE LYS 41 HE2 LYS 41 -1.106 10.089 0.330 318 2HE LYS 41 HE3 LYS 41 -1.431 10.377 -1.379 319 1HZ LYS 41 HZ1 LYS 41 -0.082 12.140 -0.510 320 2HZ LYS 41 HZ2 LYS 41 -1.542 12.751 -0.932 321 3HZ LYS 41 HZ3 LYS 41 -1.180 12.505 0.653 322 H LYS 42 H LYS 42 -2.514 8.490 5.187 323 HA LYS 42 HA LYS 42 -1.612 10.495 6.925 324 1HB LYS 42 HB2 LYS 42 -2.697 7.665 7.026 325 2HB LYS 42 HB3 LYS 42 -2.395 8.488 8.467 326 1HG LYS 42 HG2 LYS 42 -4.197 9.651 6.344 327 2HG LYS 42 HG3 LYS 42 -4.776 8.500 7.580 328 1HD LYS 42 HD2 LYS 42 -4.298 10.142 9.336 329 2HD LYS 42 HD3 LYS 42 -3.534 11.211 8.118 330 1HE LYS 42 HE2 LYS 42 -5.757 10.966 6.807 331 2HE LYS 42 HE3 LYS 42 -6.437 10.281 8.291 332 1HZ LYS 42 HZ1 LYS 42 -5.289 12.994 8.054 333 2HZ LYS 42 HZ2 LYS 42 -6.873 12.643 8.166 334 3HZ LYS 42 HZ3 LYS 42 -5.898 12.340 9.438 335 H ARG 43 H ARG 43 -0.314 7.149 6.238 336 HA ARG 43 HA ARG 43 1.944 7.560 8.033 337 1HB ARG 43 HB2 ARG 43 0.863 5.343 7.435 338 2HB ARG 43 HB3 ARG 43 1.689 5.439 5.869 339 1HG ARG 43 HG2 ARG 43 3.761 5.945 7.571 340 2HG ARG 43 HG3 ARG 43 2.789 4.982 8.651 341 1HD ARG 43 HD2 ARG 43 3.517 3.997 5.860 342 2HD ARG 43 HD3 ARG 43 4.642 3.867 7.225 343 HE ARG 43 HE ARG 43 2.085 2.800 7.965 344 1HH1 ARG 43 1HH1 ARG 43 4.887 1.876 6.027 345 2HH1 ARG 43 2HH1 ARG 43 4.659 0.171 6.417 346 1HH2 ARG 43 1HH2 ARG 43 1.948 0.613 8.424 347 2HH2 ARG 43 2HH2 ARG 43 3.099 -0.484 7.705 348 H VAL 44 H VAL 44 1.527 7.923 4.483 349 HA VAL 44 HA VAL 44 4.172 7.730 3.819 350 HB VAL 44 HB VAL 44 1.658 8.978 2.694 351 1HG1 VAL 44 1HG1 VAL 44 4.304 9.192 1.284 352 2HG1 VAL 44 2HG1 VAL 44 2.682 9.329 0.540 353 3HG1 VAL 44 3HG1 VAL 44 3.174 10.497 1.784 354 1HG2 VAL 44 1HG2 VAL 44 3.557 6.738 2.002 355 2HG2 VAL 44 2HG2 VAL 44 2.071 6.548 2.843 356 3HG2 VAL 44 3HG2 VAL 44 2.029 7.094 1.138 357 H LYS 45 H LYS 45 2.473 10.622 4.767 358 HA LYS 45 HA LYS 45 4.495 12.514 4.395 359 1HB LYS 45 HB2 LYS 45 2.996 13.892 5.839 360 2HB LYS 45 HB3 LYS 45 2.063 12.812 4.752 361 1HG LYS 45 HG2 LYS 45 2.020 11.211 6.711 362 2HG LYS 45 HG3 LYS 45 2.788 12.531 7.635 363 1HD LYS 45 HD2 LYS 45 0.777 14.017 7.089 364 2HD LYS 45 HD3 LYS 45 -0.051 12.494 6.635 365 1HE LYS 45 HE2 LYS 45 1.054 11.548 8.765 366 2HE LYS 45 HE3 LYS 45 1.324 13.234 9.252 367 1HZ LYS 45 HZ1 LYS 45 -1.337 12.060 8.759 368 2HZ LYS 45 HZ2 LYS 45 -0.703 12.412 10.222 369 3HZ LYS 45 HZ3 LYS 45 -1.039 13.620 9.189 370 H GLU 46 H GLU 46 3.883 10.277 6.937 371 HA GLU 46 HA GLU 46 5.313 11.477 9.170 372 1HB GLU 46 HB2 GLU 46 3.368 10.500 9.766 373 2HB GLU 46 HB3 GLU 46 3.548 9.150 8.677 374 1HG GLU 46 HG2 GLU 46 5.276 8.176 10.106 375 2HG GLU 46 HG3 GLU 46 5.097 9.547 11.197 376 H THR 47 H THR 47 5.992 9.424 6.609 377 HA THR 47 HA THR 47 8.715 8.979 7.535 378 HB THR 47 HB THR 47 7.638 7.233 8.734 379 HG1 THR 47 HG1 THR 47 8.779 5.551 8.162 380 1HG2 THR 47 1HG2 THR 47 6.450 6.364 6.094 381 2HG2 THR 47 2HG2 THR 47 6.526 5.316 7.539 382 3HG2 THR 47 3HG2 THR 47 5.667 6.858 7.617 383 H GLU 48 H GLU 48 8.535 6.501 5.454 384 HA GLU 48 HA GLU 48 9.763 8.152 3.394 385 1HB GLU 48 HB2 GLU 48 10.953 5.762 4.706 386 2HB GLU 48 HB3 GLU 48 11.743 6.839 3.523 387 1HG GLU 48 HG2 GLU 48 11.286 8.741 5.130 388 2HG GLU 48 HG3 GLU 48 10.857 7.546 6.328 389 H LEU 49 H LEU 49 7.394 7.031 2.925 390 HA LEU 49 HA LEU 49 7.617 5.003 0.864 391 1HB LEU 49 HB2 LEU 49 5.438 5.494 1.446 392 2HB LEU 49 HB3 LEU 49 5.722 7.171 1.604 393 HG LEU 49 HG LEU 49 4.217 7.194 0.054 394 1HD1 LEU 49 1HD1 LEU 49 4.949 8.106 -1.901 395 2HD1 LEU 49 2HD1 LEU 49 6.092 8.581 -0.605 396 3HD1 LEU 49 3HD1 LEU 49 6.514 7.328 -1.802 397 1HD2 LEU 49 1HD2 LEU 49 4.183 4.794 -0.308 398 2HD2 LEU 49 2HD2 LEU 49 3.798 5.830 -1.683 399 3HD2 LEU 49 3HD2 LEU 49 5.395 5.078 -1.611 400 H LYS 50 H LYS 50 8.439 5.078 -0.883 401 HA LYS 50 HA LYS 50 10.091 7.347 -1.915 402 1HB LYS 50 HB2 LYS 50 11.706 5.772 -2.629 403 2HB LYS 50 HB3 LYS 50 11.382 5.352 -0.999 404 1HG LYS 50 HG2 LYS 50 9.616 3.795 -2.679 405 2HG LYS 50 HG3 LYS 50 11.249 3.735 -3.331 406 1HD LYS 50 HD2 LYS 50 10.961 1.895 -1.746 407 2HD LYS 50 HD3 LYS 50 12.079 3.109 -1.054 408 1HE LYS 50 HE2 LYS 50 10.283 4.133 0.197 409 2HE LYS 50 HE3 LYS 50 9.129 3.015 -0.514 410 1HZ LYS 50 HZ1 LYS 50 9.453 2.122 1.511 411 2HZ LYS 50 HZ2 LYS 50 10.324 1.162 0.500 412 3HZ LYS 50 HZ3 LYS 50 11.088 2.262 1.481 413 H ASP 51 H ASP 51 10.453 6.578 -4.508 414 HA ASP 51 HA ASP 51 7.808 6.925 -5.634 415 1HB ASP 51 HB2 ASP 51 8.788 6.516 -7.779 416 2HB ASP 51 HB3 ASP 51 9.765 7.652 -6.830 417 H THR 52 H THR 52 9.791 4.068 -5.086 418 HA THR 52 HA THR 52 8.514 2.214 -6.641 419 HB THR 52 HB THR 52 9.611 1.905 -3.845 420 HG1 THR 52 HG1 THR 52 11.629 1.575 -4.938 421 1HG2 THR 52 1HG2 THR 52 9.472 -0.084 -6.169 422 2HG2 THR 52 2HG2 THR 52 10.485 -0.339 -4.739 423 3HG2 THR 52 3HG2 THR 52 8.729 -0.263 -4.559 424 H ASP 53 H ASP 53 7.546 3.015 -3.184 425 HA ASP 53 HA ASP 53 5.544 0.889 -3.202 426 1HB ASP 53 HB2 ASP 53 4.624 2.789 -1.351 427 2HB ASP 53 HB3 ASP 53 5.382 1.269 -0.994 428 H ASP 54 H ASP 54 5.645 4.349 -3.697 429 HA ASP 54 HA ASP 54 2.906 4.915 -3.487 430 1HB ASP 54 HB2 ASP 54 5.106 6.358 -3.646 431 2HB ASP 54 HB3 ASP 54 4.886 6.308 -5.366 432 H ILE 55 H ILE 55 4.611 3.894 -6.236 433 HA ILE 55 HA ILE 55 2.473 4.538 -8.211 434 HB ILE 55 HB ILE 55 4.674 2.778 -9.166 435 1HG1 ILE 55 2HG1 ILE 55 5.760 5.438 -9.528 436 2HG1 ILE 55 3HG1 ILE 55 5.457 5.197 -7.843 437 1HG2 ILE 55 1HG2 ILE 55 3.320 5.245 -10.322 438 2HG2 ILE 55 2HG2 ILE 55 4.406 4.144 -11.190 439 3HG2 ILE 55 3HG2 ILE 55 2.846 3.547 -10.597 440 1HD1 ILE 55 1HD1 ILE 55 6.922 3.207 -9.673 441 2HD1 ILE 55 2HD1 ILE 55 7.702 4.280 -8.495 442 3HD1 ILE 55 3HD1 ILE 55 6.623 2.949 -7.947 443 H SER 56 H SER 56 4.144 1.762 -6.681 444 HA SER 56 HA SER 56 2.806 -0.266 -8.240 445 1HB SER 56 HB2 SER 56 4.660 -0.114 -6.089 446 2HB SER 56 HB3 SER 56 3.300 -0.998 -5.410 447 HG SER 56 HG SER 56 4.774 -1.643 -7.782 448 H VAL 57 H VAL 57 2.271 1.263 -5.126 449 HA VAL 57 HA VAL 57 -0.044 -0.265 -4.377 450 HB VAL 57 HB VAL 57 -0.212 1.316 -2.733 451 1HG1 VAL 57 1HG1 VAL 57 2.557 0.340 -2.634 452 2HG1 VAL 57 2HG1 VAL 57 1.494 0.857 -1.254 453 3HG1 VAL 57 3HG1 VAL 57 1.046 -0.554 -2.208 454 1HG2 VAL 57 1HG2 VAL 57 0.049 3.323 -3.131 455 2HG2 VAL 57 2HG2 VAL 57 1.472 3.009 -2.097 456 3HG2 VAL 57 3HG2 VAL 57 1.632 3.058 -3.879 457 H ARG 58 H ARG 58 0.438 3.233 -5.546 458 HA ARG 58 HA ARG 58 -2.340 3.587 -5.332 459 1HB ARG 58 HB2 ARG 58 -0.397 5.283 -5.957 460 2HB ARG 58 HB3 ARG 58 -0.970 5.067 -7.570 461 1HG ARG 58 HG2 ARG 58 -2.101 6.886 -6.634 462 2HG ARG 58 HG3 ARG 58 -3.307 5.602 -6.640 463 1HD ARG 58 HD2 ARG 58 -2.967 5.241 -4.229 464 2HD ARG 58 HD3 ARG 58 -1.599 6.332 -4.211 465 HE ARG 58 HE ARG 58 -4.399 6.996 -3.966 466 1HH1 ARG 58 2HH1 ARG 58 -1.454 8.462 -5.245 467 2HH1 ARG 58 1HH1 ARG 58 -2.111 10.066 -5.061 468 1HH2 ARG 58 1HH2 ARG 58 -4.983 9.034 -3.496 469 2HH2 ARG 58 2HH2 ARG 58 -4.086 10.388 -4.163 470 H ASP 59 H ASP 59 -0.413 2.407 -8.007 471 HA ASP 59 HA ASP 59 -2.586 2.631 -9.853 472 1HB ASP 59 HB2 ASP 59 -0.231 2.377 -10.456 473 2HB ASP 59 HB3 ASP 59 -0.248 0.691 -9.898 474 H ALA 60 H ALA 60 -1.951 0.419 -7.418 475 HA ALA 60 HA ALA 60 -3.497 -1.903 -8.234 476 1HB ALA 60 HB1 ALA 60 -1.677 -1.212 -5.833 477 2HB ALA 60 HB2 ALA 60 -2.613 -2.716 -5.975 478 3HB ALA 60 HB3 ALA 60 -1.325 -2.329 -7.166 479 H LEU 61 H LEU 61 -3.324 0.495 -5.674 480 HA LEU 61 HA LEU 61 -5.616 -0.133 -4.212 481 1HB LEU 61 HB2 LEU 61 -3.427 0.934 -3.699 482 2HB LEU 61 HB3 LEU 61 -3.945 2.388 -4.562 483 HG LEU 61 HG LEU 61 -5.588 1.345 -2.428 484 1HD1 LEU 61 1HD1 LEU 61 -4.134 2.180 -0.620 485 2HD1 LEU 61 2HD1 LEU 61 -3.281 0.967 -1.598 486 3HD1 LEU 61 3HD1 LEU 61 -2.941 2.686 -1.846 487 1HD2 LEU 61 1HD2 LEU 61 -4.686 4.185 -2.923 488 2HD2 LEU 61 2HD2 LEU 61 -6.208 3.455 -3.513 489 3HD2 LEU 61 3HD2 LEU 61 -5.926 3.626 -1.767 490 H ALA 62 H ALA 62 -4.883 2.644 -6.441 491 HA ALA 62 HA ALA 62 -7.643 3.156 -6.887 492 1HB ALA 62 HB1 ALA 62 -6.995 4.610 -8.696 493 2HB ALA 62 HB2 ALA 62 -5.808 4.802 -7.397 494 3HB ALA 62 HB3 ALA 62 -5.415 3.822 -8.834 495 H GLY 63 H GLY 63 -5.573 0.755 -8.064 496 1HA GLY 63 HA2 GLY 63 -6.481 -0.310 -10.471 497 2HA GLY 63 HA3 GLY 63 -5.774 -1.136 -9.154 498 H LYS 64 H LYS 64 -7.084 -1.050 -7.092 499 HA LYS 64 HA LYS 64 -9.307 -2.804 -7.471 500 1HB LYS 64 HB2 LYS 64 -7.323 -3.019 -5.854 501 2HB LYS 64 HB3 LYS 64 -8.154 -1.838 -4.859 502 1HG LYS 64 HG2 LYS 64 -9.637 -3.421 -4.101 503 2HG LYS 64 HG3 LYS 64 -9.914 -4.045 -5.722 504 1HD LYS 64 HD2 LYS 64 -7.840 -5.369 -5.641 505 2HD LYS 64 HD3 LYS 64 -7.459 -4.672 -4.074 506 1HE LYS 64 HE2 LYS 64 -8.315 -6.845 -3.639 507 2HE LYS 64 HE3 LYS 64 -9.606 -5.734 -3.173 508 1HZ LYS 64 HZ1 LYS 64 -10.680 -6.253 -5.297 509 2HZ LYS 64 HZ2 LYS 64 -9.446 -7.268 -5.698 510 3HZ LYS 64 HZ3 LYS 64 -10.417 -7.623 -4.433 511 H ARG 65 H ARG 65 -8.957 0.532 -6.582 512 HA ARG 65 HA ARG 65 -11.333 0.943 -5.321 513 1HB ARG 65 HB2 ARG 65 -9.336 2.423 -5.846 514 2HB ARG 65 HB3 ARG 65 -10.243 2.987 -7.230 515 1HG ARG 65 HG2 ARG 65 -11.738 4.224 -5.847 516 2HG ARG 65 HG3 ARG 65 -11.601 3.074 -4.560 517 1HD ARG 65 HD2 ARG 65 -9.383 3.727 -3.973 518 2HD ARG 65 HD3 ARG 65 -9.162 4.586 -5.488 519 HE ARG 65 HE ARG 65 -10.481 5.620 -3.051 520 1HH1 ARG 65 1HH2 ARG 65 -10.117 6.272 -6.518 521 2HH1 ARG 65 2HH2 ARG 65 -10.597 7.937 -6.279 522 1HH2 ARG 65 1HH1 ARG 65 -11.092 7.582 -2.883 523 2HH2 ARG 65 2HH1 ARG 65 -11.119 8.698 -4.251 524 H ALA 66 H ALA 66 -10.688 1.009 -8.771 525 HA ALA 66 HA ALA 66 -13.360 1.737 -9.649 526 1HB ALA 66 HB1 ALA 66 -11.258 0.077 -11.079 527 2HB ALA 66 HB2 ALA 66 -12.708 0.800 -11.798 528 3HB ALA 66 HB3 ALA 66 -11.428 1.874 -11.177 529 H GLU 67 H GLU 67 -11.898 -1.324 -8.659 530 HA GLU 67 HA GLU 67 -13.765 -3.148 -9.932 531 1HB GLU 67 HB2 GLU 67 -12.011 -3.519 -7.523 532 2HB GLU 67 HB3 GLU 67 -12.729 -4.784 -8.526 533 1HG GLU 67 HG2 GLU 67 -10.624 -2.742 -9.443 534 2HG GLU 67 HG3 GLU 67 -10.375 -4.305 -8.745 535 H LEU 68 H LEU 68 -13.215 -1.498 -6.948 536 HA LEU 68 HA LEU 68 -15.042 -3.032 -5.305 537 1HB LEU 68 HB2 LEU 68 -12.879 -1.169 -4.963 538 2HB LEU 68 HB3 LEU 68 -14.122 -1.252 -3.685 539 HG LEU 68 HG LEU 68 -12.564 -3.631 -4.815 540 1HD1 LEU 68 1HD1 LEU 68 -11.359 -2.104 -3.722 541 2HD1 LEU 68 2HD1 LEU 68 -12.462 -2.069 -2.307 542 3HD1 LEU 68 3HD1 LEU 68 -11.586 -3.585 -2.754 543 1HD2 LEU 68 1HD2 LEU 68 -14.420 -3.135 -2.410 544 2HD2 LEU 68 2HD2 LEU 68 -14.814 -4.330 -3.683 545 3HD2 LEU 68 3HD2 LEU 68 -13.462 -4.620 -2.571 546 H GLU 69 H GLU 69 -14.888 0.000 -6.892 547 HA GLU 69 HA GLU 69 -17.227 1.304 -5.944 548 1HB GLU 69 HB2 GLU 69 -15.010 1.553 -7.974 549 2HB GLU 69 HB3 GLU 69 -16.400 2.157 -8.407 550 1HG GLU 69 HG2 GLU 69 -16.369 3.488 -6.040 551 2HG GLU 69 HG3 GLU 69 -14.712 2.967 -6.045 552 H ASP 70 H ASP 70 -16.406 -0.881 -8.520 553 HA ASP 70 HA ASP 70 -19.131 -0.998 -9.686 554 1HB ASP 70 HB2 ASP 70 -16.854 -1.952 -10.693 555 2HB ASP 70 HB3 ASP 70 -17.276 -3.363 -9.761 556 H SER 71 H SER 71 -17.251 -2.231 -7.021 557 HA SER 71 HA SER 71 -19.343 -4.183 -6.364 558 1HB SER 71 HB2 SER 71 -16.824 -4.640 -6.238 559 2HB SER 71 HB3 SER 71 -16.866 -3.794 -4.668 560 HG SER 71 HG SER 71 -17.166 -6.098 -4.534 561 H ASP 72 H ASP 72 -19.785 -1.242 -6.069 562 HA ASP 72 HA ASP 72 -19.601 -0.102 -3.557 563 1HB ASP 72 HB2 ASP 72 -20.099 1.096 -5.585 564 2HB ASP 72 HB3 ASP 72 -21.682 0.313 -5.720 565 H ASP 73 H ASP 73 -21.774 -2.665 -4.357 566 HA ASP 73 HA ASP 73 -24.143 -2.307 -3.033 567 1HB ASP 73 HB2 ASP 73 -22.469 -4.852 -3.232 568 2HB ASP 73 HB3 ASP 73 -24.218 -4.727 -3.028 569 H GLU 74 H GLU 74 -24.997 -2.778 -1.075 570 HA GLU 74 HA GLU 74 -23.091 -2.463 1.192 571 1HB GLU 74 HB2 GLU 74 -25.760 -1.112 0.824 572 2HB GLU 74 HB3 GLU 74 -24.604 -0.869 2.156 573 1HG GLU 74 HG2 GLU 74 -22.867 -0.213 0.388 574 2HG GLU 74 HG3 GLU 74 -24.162 -0.284 -0.779 575 H VAL 75 H VAL 75 -23.518 -4.919 1.006 576 HA VAL 75 HA VAL 75 -23.948 -6.824 2.077 577 HB VAL 75 HB VAL 75 -24.797 -4.942 4.286 578 1HG1 VAL 75 1HG1 VAL 75 -25.994 -7.002 4.779 579 2HG1 VAL 75 2HG1 VAL 75 -24.515 -7.956 4.508 580 3HG1 VAL 75 3HG1 VAL 75 -24.616 -6.816 5.873 581 1HG2 VAL 75 1HG2 VAL 75 -22.328 -6.671 3.885 582 2HG2 VAL 75 2HG2 VAL 75 -22.420 -4.903 3.655 583 3HG2 VAL 75 3HG2 VAL 75 -22.643 -5.593 5.268 584 H GLU 76 H GLU 76 -26.715 -4.835 2.459 585 HA GLU 76 HA GLU 76 -28.671 -6.993 1.956 586 1HB GLU 76 HB2 GLU 76 -29.745 -6.738 4.083 587 2HB GLU 76 HB3 GLU 76 -28.102 -7.243 4.316 588 1HG GLU 76 HG2 GLU 76 -27.492 -4.876 4.906 589 2HG GLU 76 HG3 GLU 76 -29.174 -4.404 4.630 590 H GLU 77 H GLU 77 -27.941 -3.586 2.369 591 HA GLU 77 HA GLU 77 -30.672 -2.592 2.426 592 1HB GLU 77 HB2 GLU 77 -28.081 -1.108 1.821 593 2HB GLU 77 HB3 GLU 77 -29.657 -0.373 2.151 594 1HG GLU 77 HG2 GLU 77 -29.665 -1.528 4.398 595 2HG GLU 77 HG3 GLU 77 -27.993 -2.052 4.072 596 H SER 78 H SER 78 -28.386 -3.310 -0.081 597 HA SER 78 HA SER 78 -30.606 -3.216 -1.954 598 1HB SER 78 HB2 SER 78 -29.254 -1.980 -3.710 599 2HB SER 78 HB3 SER 78 -29.690 -1.003 -2.311 600 HG SER 78 HG SER 78 -27.619 -1.334 -1.455 601 H PHE 79 H PHE 79 -28.469 -5.166 -0.737 602 HA PHE 79 HA PHE 79 -27.039 -6.313 -2.966 603 1HB PHE 79 HB2 PHE 79 -26.310 -6.385 -0.604 604 2HB PHE 79 HB3 PHE 79 -27.655 -7.462 -0.247 605 HD1 PHE 79 HD2 PHE 79 -24.570 -7.144 -2.368 606 HD2 PHE 79 HD1 PHE 79 -27.382 -9.814 -0.482 607 HE1 PHE 79 HE2 PHE 79 -23.126 -9.070 -2.959 608 HE2 PHE 79 HE1 PHE 79 -25.926 -11.746 -1.067 609 HZ PHE 79 HZ PHE 79 -23.794 -11.370 -2.306 Start of MODEL 12 1 1H GLY 1 H1 GLY 1 21.061 -4.501 16.203 2 2H GLY 1 H2 GLY 1 19.703 -3.920 16.906 3 3H GLY 1 H3 GLY 1 20.458 -3.051 15.740 4 1HA GLY 1 HA2 GLY 1 19.127 -5.661 15.346 5 2HA GLY 1 HA3 GLY 1 18.458 -4.095 14.853 6 H SER 2 H SER 2 19.848 -6.747 13.634 7 HA SER 2 HA SER 2 21.301 -5.330 11.427 8 1HB SER 2 HB2 SER 2 22.163 -7.888 12.825 9 2HB SER 2 HB3 SER 2 23.017 -7.068 11.505 10 HG SER 2 HG SER 2 23.895 -6.583 13.567 11 H HIS 3 H HIS 3 18.559 -6.871 11.772 12 HA HIS 3 HA HIS 3 18.656 -9.139 10.019 13 1HB HIS 3 HB2 HIS 3 16.937 -8.710 11.750 14 2HB HIS 3 HB3 HIS 3 16.339 -7.336 10.822 15 HD2 HIS 3 HD2 HIS 3 16.893 -11.175 10.215 16 HE1 HIS 3 HE1 HIS 3 13.281 -10.049 8.260 17 HE2 HIS 3 HE2 HIS 3 14.835 -11.991 8.783 18 H MET 4 H MET 4 18.543 -5.750 9.316 19 HA MET 4 HA MET 4 18.144 -6.202 6.390 20 1HB MET 4 HB2 MET 4 16.779 -4.158 8.188 21 2HB MET 4 HB3 MET 4 16.842 -3.992 6.434 22 1HG MET 4 HG2 MET 4 15.579 -6.330 7.894 23 2HG MET 4 HG3 MET 4 14.718 -4.941 7.246 24 1HE MET 4 HE1 MET 4 13.953 -7.953 6.624 25 2HE MET 4 HE2 MET 4 13.062 -6.555 5.982 26 3HE MET 4 HE3 MET 4 13.583 -7.861 4.893 27 H LEU 5 H LEU 5 18.705 -4.194 5.123 28 HA LEU 5 HA LEU 5 21.506 -3.906 5.450 29 1HB LEU 5 HB2 LEU 5 19.552 -2.506 3.578 30 2HB LEU 5 HB3 LEU 5 21.297 -2.346 3.506 31 HG LEU 5 HG LEU 5 21.322 -4.977 3.361 32 1HD1 LEU 5 1HD1 LEU 5 19.425 -5.838 1.987 33 2HD1 LEU 5 2HD1 LEU 5 18.952 -5.472 3.637 34 3HD1 LEU 5 3HD1 LEU 5 18.522 -4.348 2.330 35 1HD2 LEU 5 1HD2 LEU 5 21.218 -4.792 0.905 36 2HD2 LEU 5 2HD2 LEU 5 20.414 -3.203 1.057 37 3HD2 LEU 5 3HD2 LEU 5 22.098 -3.425 1.606 38 H LEU 6 H LEU 6 18.922 -1.594 6.138 39 HA LEU 6 HA LEU 6 18.761 0.404 7.083 40 1HB LEU 6 HB2 LEU 6 20.829 -0.984 8.726 41 2HB LEU 6 HB3 LEU 6 20.626 0.715 9.028 42 HG LEU 6 HG LEU 6 19.328 -0.652 10.554 43 1HD1 LEU 6 1HD1 LEU 6 17.229 0.544 10.449 44 2HD1 LEU 6 2HD1 LEU 6 18.558 1.630 10.023 45 3HD1 LEU 6 3HD1 LEU 6 17.500 0.974 8.754 46 1HD2 LEU 6 1HD2 LEU 6 17.614 -1.480 8.187 47 2HD2 LEU 6 2HD2 LEU 6 18.745 -2.527 9.079 48 3HD2 LEU 6 3HD2 LEU 6 17.333 -1.856 9.897 49 H GLU 7 H GLU 7 21.752 0.061 5.470 50 HA GLU 7 HA GLU 7 22.038 3.042 5.197 51 1HB GLU 7 HB2 GLU 7 24.257 0.981 5.401 52 2HB GLU 7 HB3 GLU 7 24.470 2.721 5.126 53 1HG GLU 7 HG2 GLU 7 23.339 3.157 7.329 54 2HG GLU 7 HG3 GLU 7 23.316 1.416 7.620 55 H PHE 8 H PHE 8 21.115 0.510 3.442 56 HA PHE 8 HA PHE 8 21.653 1.937 0.957 57 1HB PHE 8 HB2 PHE 8 23.555 0.358 1.021 58 2HB PHE 8 HB3 PHE 8 22.438 -0.990 1.223 59 HD1 PHE 8 HD2 PHE 8 22.898 1.967 -1.090 60 HD2 PHE 8 HD1 PHE 8 22.018 -2.243 -0.737 61 HE1 PHE 8 HE2 PHE 8 22.669 1.801 -3.552 62 HE2 PHE 8 HE1 PHE 8 21.817 -2.403 -3.201 63 HZ PHE 8 HZ PHE 8 22.128 -0.376 -4.617 64 H LYS 9 H LYS 9 20.124 1.458 -0.648 65 HA LYS 9 HA LYS 9 17.682 1.753 0.438 66 1HB LYS 9 HB2 LYS 9 16.826 1.972 -1.795 67 2HB LYS 9 HB3 LYS 9 18.446 2.640 -1.697 68 1HG LYS 9 HG2 LYS 9 19.352 0.550 -2.760 69 2HG LYS 9 HG3 LYS 9 17.689 -0.059 -2.909 70 1HD LYS 9 HD2 LYS 9 17.089 1.887 -4.320 71 2HD LYS 9 HD3 LYS 9 18.744 2.512 -4.150 72 1HE LYS 9 HE2 LYS 9 19.617 0.453 -5.236 73 2HE LYS 9 HE3 LYS 9 17.963 -0.161 -5.408 74 1HZ LYS 9 HZ1 LYS 9 17.485 1.750 -6.822 75 2HZ LYS 9 HZ2 LYS 9 19.015 2.299 -6.662 76 3HZ LYS 9 HZ3 LYS 9 18.726 0.880 -7.432 77 H GLN 10 H GLN 10 18.722 -1.440 -0.521 78 HA GLN 10 HA GLN 10 16.399 -2.150 -1.797 79 1HB GLN 10 HB2 GLN 10 18.049 -4.342 -0.555 80 2HB GLN 10 HB3 GLN 10 17.129 -4.373 -2.065 81 1HG GLN 10 HG2 GLN 10 18.741 -2.580 -2.921 82 2HG GLN 10 HG3 GLN 10 19.624 -2.873 -1.396 83 1HE2 GLN 10 2HE2 GLN 10 20.620 -5.006 -1.091 84 2HE2 GLN 10 1HE2 GLN 10 20.962 -6.004 -2.515 85 H PHE 11 H PHE 11 17.056 -2.586 1.573 86 HA PHE 11 HA PHE 11 14.973 -4.321 2.197 87 1HB PHE 11 HB2 PHE 11 15.023 -3.538 4.459 88 2HB PHE 11 HB3 PHE 11 16.675 -3.712 3.853 89 HD1 PHE 11 HD1 PHE 11 17.227 -1.101 2.552 90 HD2 PHE 11 HD2 PHE 11 15.126 -2.004 6.207 91 HE1 PHE 11 HE1 PHE 11 17.706 1.134 3.332 92 HE2 PHE 11 HE2 PHE 11 15.716 0.235 7.065 93 HZ PHE 11 HZ PHE 11 16.985 1.839 5.639 94 H LEU 12 H LEU 12 14.879 -0.925 1.415 95 HA LEU 12 HA LEU 12 12.149 -0.489 2.312 96 1HB LEU 12 HB2 LEU 12 14.414 1.170 1.518 97 2HB LEU 12 HB3 LEU 12 12.972 1.640 0.655 98 HG LEU 12 HG LEU 12 11.895 1.330 3.174 99 1HD1 LEU 12 1HD1 LEU 12 14.112 0.660 4.043 100 2HD1 LEU 12 2HD1 LEU 12 14.763 2.241 3.570 101 3HD1 LEU 12 3HD1 LEU 12 13.492 2.138 4.818 102 1HD2 LEU 12 1HD2 LEU 12 12.026 3.748 3.263 103 2HD2 LEU 12 2HD2 LEU 12 13.267 3.722 1.963 104 3HD2 LEU 12 3HD2 LEU 12 11.632 3.118 1.640 105 H TYR 13 H TYR 13 13.720 -1.330 -0.547 106 HA TYR 13 HA TYR 13 11.526 -0.613 -2.356 107 1HB TYR 13 HB2 TYR 13 14.356 -1.650 -2.660 108 2HB TYR 13 HB3 TYR 13 13.262 -1.628 -4.010 109 HD1 TYR 13 HD1 TYR 13 14.062 0.814 -1.206 110 HD2 TYR 13 HD2 TYR 13 13.619 0.217 -5.449 111 HE1 TYR 13 HE1 TYR 13 14.220 3.206 -1.519 112 HE2 TYR 13 HE2 TYR 13 13.993 2.660 -5.788 113 HH TYR 13 HH TYR 13 14.547 4.899 -3.072 114 H GLU 14 H GLU 14 12.738 -3.570 -0.881 115 HA GLU 14 HA GLU 14 10.659 -5.294 -2.070 116 1HB GLU 14 HB2 GLU 14 12.868 -6.081 -1.099 117 2HB GLU 14 HB3 GLU 14 12.222 -5.715 0.507 118 1HG GLU 14 HG2 GLU 14 10.441 -7.370 0.202 119 2HG GLU 14 HG3 GLU 14 10.925 -7.631 -1.483 120 H ALA 15 H ALA 15 10.900 -3.142 0.652 121 HA ALA 15 HA ALA 15 8.904 -3.893 2.440 122 1HB ALA 15 HB1 ALA 15 8.860 -1.542 3.095 123 2HB ALA 15 HB2 ALA 15 10.532 -1.891 2.587 124 3HB ALA 15 HB3 ALA 15 9.395 -1.015 1.512 125 H SER 16 H SER 16 8.707 -1.964 -0.412 126 HA SER 16 HA SER 16 6.443 -0.569 -0.097 127 1HB SER 16 HB2 SER 16 8.110 -1.567 -2.379 128 2HB SER 16 HB3 SER 16 6.696 -0.559 -2.752 129 HG SER 16 HG SER 16 8.250 0.915 -2.448 130 H ILE 17 H ILE 17 6.554 -3.854 -1.078 131 HA ILE 17 HA ILE 17 3.700 -3.993 -1.984 132 HB ILE 17 HB ILE 17 6.351 -5.000 -3.046 133 1HG1 ILE 17 2HG1 ILE 17 5.090 -4.377 -5.266 134 2HG1 ILE 17 3HG1 ILE 17 3.907 -3.593 -4.255 135 1HG2 ILE 17 1HG2 ILE 17 3.696 -6.322 -3.774 136 2HG2 ILE 17 2HG2 ILE 17 5.221 -6.525 -4.649 137 3HG2 ILE 17 3HG2 ILE 17 5.100 -7.089 -2.995 138 1HD1 ILE 17 1HD1 ILE 17 6.745 -2.824 -3.798 139 2HD1 ILE 17 2HD1 ILE 17 6.001 -2.324 -5.319 140 3HD1 ILE 17 3HD1 ILE 17 5.238 -1.837 -3.802 141 H ASP 18 H ASP 18 5.554 -4.783 0.557 142 HA ASP 18 HA ASP 18 5.271 -7.676 0.739 143 1HB ASP 18 HB2 ASP 18 7.241 -6.420 1.599 144 2HB ASP 18 HB3 ASP 18 6.213 -5.671 2.826 145 H GLU 19 H GLU 19 3.470 -4.987 1.919 146 HA GLU 19 HA GLU 19 1.431 -6.810 3.168 147 1HB GLU 19 HB2 GLU 19 2.349 -4.166 4.336 148 2HB GLU 19 HB3 GLU 19 0.934 -5.097 4.852 149 1HG GLU 19 HG2 GLU 19 2.434 -7.025 5.409 150 2HG GLU 19 HG3 GLU 19 3.830 -6.011 4.985 151 H PHE 20 H PHE 20 1.870 -3.381 2.095 152 HA PHE 20 HA PHE 20 -0.794 -2.706 2.068 153 1HB PHE 20 HB2 PHE 20 1.311 -1.788 0.025 154 2HB PHE 20 HB3 PHE 20 -0.233 -0.988 0.334 155 HD1 PHE 20 HD1 PHE 20 3.111 -1.769 1.774 156 HD2 PHE 20 HD2 PHE 20 -0.462 0.644 2.030 157 HE1 PHE 20 HE1 PHE 20 4.242 -0.267 3.369 158 HE2 PHE 20 HE2 PHE 20 0.676 2.160 3.617 159 HZ PHE 20 HZ PHE 20 3.031 1.721 4.311 160 H MET 21 H MET 21 0.936 -4.020 -0.741 161 HA MET 21 HA MET 21 -1.124 -3.831 -2.696 162 1HB MET 21 HB2 MET 21 1.241 -5.719 -2.320 163 2HB MET 21 HB3 MET 21 0.127 -5.985 -3.653 164 1HG MET 21 HG2 MET 21 1.625 -3.426 -3.122 165 2HG MET 21 HG3 MET 21 2.074 -4.685 -4.297 166 1HE MET 21 HE1 MET 21 -1.122 -4.358 -6.780 167 2HE MET 21 HE2 MET 21 0.062 -5.520 -6.120 168 3HE MET 21 HE3 MET 21 -1.394 -5.069 -5.195 169 H GLY 22 H GLY 22 -0.519 -6.431 -0.346 170 1HA GLY 22 HA2 GLY 22 -2.858 -7.925 -1.312 171 2HA GLY 22 HA3 GLY 22 -1.901 -8.320 0.161 172 H LYS 23 H LYS 23 -2.236 -5.380 1.110 173 HA LYS 23 HA LYS 23 -4.620 -5.865 2.589 174 1HB LYS 23 HB2 LYS 23 -3.594 -4.630 4.042 175 2HB LYS 23 HB3 LYS 23 -2.214 -4.618 2.994 176 1HG LYS 23 HG2 LYS 23 -2.985 -2.592 1.968 177 2HG LYS 23 HG3 LYS 23 -4.405 -2.677 2.940 178 1HD LYS 23 HD2 LYS 23 -1.626 -2.614 4.131 179 2HD LYS 23 HD3 LYS 23 -2.570 -1.100 3.881 180 1HE LYS 23 HE2 LYS 23 -4.281 -1.949 5.444 181 2HE LYS 23 HE3 LYS 23 -3.434 -3.498 5.503 182 1HZ LYS 23 HZ1 LYS 23 -2.962 -2.181 7.450 183 2HZ LYS 23 HZ2 LYS 23 -1.575 -2.322 6.579 184 3HZ LYS 23 HZ3 LYS 23 -2.426 -0.922 6.561 185 H ILE 24 H ILE 24 -3.744 -3.875 -0.075 186 HA ILE 24 HA ILE 24 -6.444 -2.786 -0.448 187 HB ILE 24 HB ILE 24 -5.402 -2.112 -2.674 188 1HG1 ILE 24 2HG1 ILE 24 -3.014 -3.435 -1.934 189 2HG1 ILE 24 3HG1 ILE 24 -3.917 -3.242 -3.441 190 1HG2 ILE 24 1HG2 ILE 24 -5.636 -0.825 -0.389 191 2HG2 ILE 24 2HG2 ILE 24 -3.893 -1.156 -0.211 192 3HG2 ILE 24 3HG2 ILE 24 -4.534 -0.234 -1.596 193 1HD1 ILE 24 1HD1 ILE 24 -3.478 -0.985 -3.579 194 2HD1 ILE 24 2HD1 ILE 24 -2.357 -1.086 -2.149 195 3HD1 ILE 24 3HD1 ILE 24 -1.996 -1.984 -3.660 196 H ALA 25 H ALA 25 -4.588 -5.262 -2.267 197 HA ALA 25 HA ALA 25 -6.735 -5.597 -4.135 198 1HB ALA 25 HB1 ALA 25 -5.409 -7.430 -5.043 199 2HB ALA 25 HB2 ALA 25 -4.356 -6.042 -4.672 200 3HB ALA 25 HB3 ALA 25 -4.395 -7.459 -3.587 201 H SER 26 H SER 26 -6.009 -6.949 -1.097 202 HA SER 26 HA SER 26 -8.357 -8.702 -1.216 203 1HB SER 26 HB2 SER 26 -6.293 -9.986 -0.832 204 2HB SER 26 HB3 SER 26 -6.013 -9.074 0.667 205 HG SER 26 HG SER 26 -8.209 -9.685 1.217 206 H CYS 27 H CYS 27 -8.048 -5.633 -0.409 207 HA CYS 27 HA CYS 27 -8.715 -5.490 2.285 208 1HB CYS 27 HB2 CYS 27 -8.167 -3.510 0.911 209 2HB CYS 27 HB3 CYS 27 -9.546 -3.804 -0.067 210 HG CYS 27 HG CYS 27 -9.222 -3.215 3.183 211 H GLN 28 H GLN 28 -10.762 -6.296 -0.442 212 HA GLN 28 HA GLN 28 -12.774 -7.272 -0.725 213 1HB GLN 28 HB2 GLN 28 -12.981 -7.529 2.291 214 2HB GLN 28 HB3 GLN 28 -14.025 -8.328 1.134 215 1HG GLN 28 HG2 GLN 28 -12.512 -9.934 0.636 216 2HG GLN 28 HG3 GLN 28 -11.117 -8.866 0.840 217 1HE2 GLN 28 1HE2 GLN 28 -10.206 -8.562 2.874 218 2HE2 GLN 28 2HE2 GLN 28 -10.755 -9.426 4.313 219 H THR 29 H THR 29 -12.447 -4.294 0.693 220 HA THR 29 HA THR 29 -15.288 -3.550 0.318 221 HB THR 29 HB THR 29 -15.115 -2.186 2.401 222 HG1 THR 29 HG1 THR 29 -12.936 -3.936 2.917 223 1HG2 THR 29 1HG2 THR 29 -16.498 -4.271 2.393 224 2HG2 THR 29 2HG2 THR 29 -15.078 -5.216 2.909 225 3HG2 THR 29 3HG2 THR 29 -15.781 -3.971 3.981 226 H LEU 30 H LEU 30 -15.454 -1.399 -0.390 227 HA LEU 30 HA LEU 30 -12.904 -0.293 -1.368 228 1HB LEU 30 HB2 LEU 30 -15.252 -0.029 -2.515 229 2HB LEU 30 HB3 LEU 30 -15.520 1.144 -1.251 230 HG LEU 30 HG LEU 30 -12.832 1.681 -2.110 231 1HD1 LEU 30 1HD1 LEU 30 -13.265 2.160 -4.498 232 2HD1 LEU 30 2HD1 LEU 30 -12.751 0.593 -3.949 233 3HD1 LEU 30 3HD1 LEU 30 -14.451 0.898 -4.362 234 1HD2 LEU 30 1HD2 LEU 30 -14.468 3.156 -1.372 235 2HD2 LEU 30 2HD2 LEU 30 -13.665 3.649 -2.960 236 3HD2 LEU 30 3HD2 LEU 30 -15.334 2.914 -2.978 237 H GLU 31 H GLU 31 -15.252 0.166 1.101 238 HA GLU 31 HA GLU 31 -14.512 2.604 2.076 239 1HB GLU 31 HB2 GLU 31 -16.528 0.892 2.346 240 2HB GLU 31 HB3 GLU 31 -15.583 0.173 3.646 241 1HG GLU 31 HG2 GLU 31 -15.403 2.262 4.657 242 2HG GLU 31 HG3 GLU 31 -16.493 3.071 3.519 243 H GLY 32 H GLY 32 -13.288 -0.595 2.667 244 1HA GLY 32 HA2 GLY 32 -11.275 0.306 4.559 245 2HA GLY 32 HA3 GLY 32 -11.374 -1.316 3.853 246 H LEU 33 H LEU 33 -11.225 -0.405 1.112 247 HA LEU 33 HA LEU 33 -8.459 -0.084 0.638 248 1HB LEU 33 HB2 LEU 33 -10.223 -0.884 -0.903 249 2HB LEU 33 HB3 LEU 33 -10.988 0.616 -0.963 250 HG LEU 33 HG LEU 33 -9.186 1.759 -2.069 251 1HD1 LEU 33 1HD1 LEU 33 -7.322 0.547 -3.022 252 2HD1 LEU 33 2HD1 LEU 33 -7.209 0.839 -1.275 253 3HD1 LEU 33 3HD1 LEU 33 -7.627 -0.801 -1.888 254 1HD2 LEU 33 1HD2 LEU 33 -9.412 -0.847 -3.508 255 2HD2 LEU 33 2HD2 LEU 33 -10.818 0.225 -3.300 256 3HD2 LEU 33 3HD2 LEU 33 -9.367 0.816 -4.125 257 H GLU 34 H GLU 34 -10.975 2.213 0.620 258 HA GLU 34 HA GLU 34 -9.708 4.691 0.261 259 1HB GLU 34 HB2 GLU 34 -12.174 3.647 1.524 260 2HB GLU 34 HB3 GLU 34 -11.862 5.392 1.637 261 1HG GLU 34 HG2 GLU 34 -12.039 3.805 -0.997 262 2HG GLU 34 HG3 GLU 34 -13.308 4.734 -0.185 263 H GLU 35 H GLU 35 -10.177 2.732 3.169 264 HA GLU 35 HA GLU 35 -9.248 4.745 5.152 265 1HB GLU 35 HB2 GLU 35 -9.720 1.763 5.426 266 2HB GLU 35 HB3 GLU 35 -9.055 2.738 6.712 267 1HG GLU 35 HG2 GLU 35 -11.586 3.690 5.456 268 2HG GLU 35 HG3 GLU 35 -11.671 2.208 6.438 269 H LEU 36 H LEU 36 -7.963 1.711 3.742 270 HA LEU 36 HA LEU 36 -5.352 2.039 4.452 271 1HB LEU 36 HB2 LEU 36 -6.195 0.727 1.849 272 2HB LEU 36 HB3 LEU 36 -4.678 0.624 2.650 273 HG LEU 36 HG LEU 36 -5.140 -0.873 3.992 274 1HD1 LEU 36 1HD1 LEU 36 -6.242 0.370 5.717 275 2HD1 LEU 36 2HD1 LEU 36 -7.814 -0.008 4.989 276 3HD1 LEU 36 3HD1 LEU 36 -6.797 -1.294 5.596 277 1HD2 LEU 36 1HD2 LEU 36 -7.806 -1.154 2.679 278 2HD2 LEU 36 2HD2 LEU 36 -6.266 -1.673 1.970 279 3HD2 LEU 36 3HD2 LEU 36 -6.850 -2.461 3.445 280 H GLU 37 H GLU 37 -7.040 3.463 1.582 281 HA GLU 37 HA GLU 37 -4.929 4.609 0.458 282 1HB GLU 37 HB2 GLU 37 -7.332 4.589 -0.240 283 2HB GLU 37 HB3 GLU 37 -7.640 6.034 0.622 284 1HG GLU 37 HG2 GLU 37 -5.396 5.754 -1.354 285 2HG GLU 37 HG3 GLU 37 -7.058 5.985 -1.971 286 H ALA 38 H ALA 38 -7.095 5.957 2.906 287 HA ALA 38 HA ALA 38 -5.662 8.309 3.312 288 1HB ALA 38 HB1 ALA 38 -7.971 7.989 4.139 289 2HB ALA 38 HB2 ALA 38 -7.427 6.741 5.279 290 3HB ALA 38 HB3 ALA 38 -6.912 8.431 5.499 291 H TYR 39 H TYR 39 -5.359 5.084 4.993 292 HA TYR 39 HA TYR 39 -3.468 5.988 6.900 293 1HB TYR 39 HB2 TYR 39 -4.150 4.019 7.696 294 2HB TYR 39 HB3 TYR 39 -4.671 3.469 6.108 295 HD1 TYR 39 HD2 TYR 39 -3.208 2.305 4.565 296 HD2 TYR 39 HD1 TYR 39 -1.973 3.187 8.587 297 HE1 TYR 39 HE2 TYR 39 -1.370 0.783 4.283 298 HE2 TYR 39 HE1 TYR 39 -0.124 1.540 8.352 299 HH TYR 39 HH TYR 39 0.966 0.086 6.969 300 H TYR 40 H TYR 40 -3.050 4.678 3.652 301 HA TYR 40 HA TYR 40 -0.205 4.556 3.440 302 1HB TYR 40 HB2 TYR 40 -1.571 3.609 1.712 303 2HB TYR 40 HB3 TYR 40 -2.564 5.068 1.609 304 HD1 TYR 40 HD1 TYR 40 1.053 4.135 0.977 305 HD2 TYR 40 HD2 TYR 40 -2.466 6.335 -0.224 306 HE1 TYR 40 HE1 TYR 40 2.248 5.035 -1.006 307 HE2 TYR 40 HE2 TYR 40 -1.208 7.339 -2.096 308 HH TYR 40 HH TYR 40 0.826 7.466 -3.187 309 H LYS 41 H LYS 41 -2.466 7.245 2.430 310 HA LYS 41 HA LYS 41 -0.521 9.151 1.992 311 1HB LYS 41 HB2 LYS 41 -3.413 9.410 2.817 312 2HB LYS 41 HB3 LYS 41 -2.415 10.782 2.308 313 1HG LYS 41 HG2 LYS 41 -2.142 8.488 0.455 314 2HG LYS 41 HG3 LYS 41 -3.800 8.946 0.648 315 1HD LYS 41 HD2 LYS 41 -2.858 10.121 -1.209 316 2HD LYS 41 HD3 LYS 41 -3.107 11.334 0.073 317 1HE LYS 41 HE2 LYS 41 -0.638 10.314 0.654 318 2HE LYS 41 HE3 LYS 41 -0.606 10.169 -1.103 319 1HZ LYS 41 HZ1 LYS 41 -1.111 12.543 -1.265 320 2HZ LYS 41 HZ2 LYS 41 -1.103 12.691 0.367 321 3HZ LYS 41 HZ3 LYS 41 0.280 12.308 -0.425 322 H LYS 42 H LYS 42 -1.996 8.317 5.110 323 HA LYS 42 HA LYS 42 -1.106 10.442 6.730 324 1HB LYS 42 HB2 LYS 42 -2.241 7.666 6.937 325 2HB LYS 42 HB3 LYS 42 -1.524 8.254 8.324 326 1HG LYS 42 HG2 LYS 42 -4.006 9.135 6.956 327 2HG LYS 42 HG3 LYS 42 -3.747 8.765 8.664 328 1HD LYS 42 HD2 LYS 42 -3.999 11.031 8.859 329 2HD LYS 42 HD3 LYS 42 -2.284 11.052 8.424 330 1HE LYS 42 HE2 LYS 42 -3.054 11.102 5.990 331 2HE LYS 42 HE3 LYS 42 -4.701 11.343 6.570 332 1HZ LYS 42 HZ1 LYS 42 -2.473 13.206 7.101 333 2HZ LYS 42 HZ2 LYS 42 -3.696 13.452 6.044 334 3HZ LYS 42 HZ3 LYS 42 -4.003 13.379 7.646 335 H ARG 43 H ARG 43 0.166 7.056 6.166 336 HA ARG 43 HA ARG 43 2.474 7.600 7.800 337 1HB ARG 43 HB2 ARG 43 1.572 5.357 7.447 338 2HB ARG 43 HB3 ARG 43 2.202 5.363 5.773 339 1HG ARG 43 HG2 ARG 43 4.507 5.823 6.726 340 2HG ARG 43 HG3 ARG 43 3.840 5.706 8.346 341 1HD ARG 43 HD2 ARG 43 3.666 3.406 6.355 342 2HD ARG 43 HD3 ARG 43 5.017 3.654 7.488 343 HE ARG 43 HE ARG 43 2.397 3.665 8.780 344 1HH1 ARG 43 1HH1 ARG 43 4.987 1.523 7.745 345 2HH1 ARG 43 2HH1 ARG 43 4.583 0.316 8.947 346 1HH2 ARG 43 1HH2 ARG 43 1.974 2.092 10.300 347 2HH2 ARG 43 2HH2 ARG 43 2.920 0.634 10.336 348 H VAL 44 H VAL 44 2.195 7.589 4.139 349 HA VAL 44 HA VAL 44 4.956 7.925 3.923 350 HB VAL 44 HB VAL 44 4.464 7.683 1.977 351 1HG1 VAL 44 1HG1 VAL 44 2.411 6.911 2.107 352 2HG1 VAL 44 2HG1 VAL 44 1.701 8.583 2.001 353 3HG1 VAL 44 3HG1 VAL 44 2.582 7.827 0.633 354 1HG2 VAL 44 1HG2 VAL 44 3.402 10.479 1.634 355 2HG2 VAL 44 2HG2 VAL 44 5.144 10.052 1.603 356 3HG2 VAL 44 3HG2 VAL 44 4.110 9.405 0.336 357 H LYS 45 H LYS 45 2.541 10.390 4.448 358 HA LYS 45 HA LYS 45 4.167 12.688 4.460 359 1HB LYS 45 HB2 LYS 45 1.808 12.772 4.447 360 2HB LYS 45 HB3 LYS 45 1.678 11.790 5.902 361 1HG LYS 45 HG2 LYS 45 3.328 14.132 6.395 362 2HG LYS 45 HG3 LYS 45 1.841 14.586 5.663 363 1HD LYS 45 HD2 LYS 45 1.564 14.670 8.091 364 2HD LYS 45 HD3 LYS 45 0.488 13.480 7.361 365 1HE LYS 45 HE2 LYS 45 2.112 11.663 8.004 366 2HE LYS 45 HE3 LYS 45 3.101 12.910 8.798 367 1HZ LYS 45 HZ1 LYS 45 1.722 11.902 10.422 368 2HZ LYS 45 HZ2 LYS 45 1.159 13.422 10.202 369 3HZ LYS 45 HZ3 LYS 45 0.352 12.138 9.551 370 H GLU 46 H GLU 46 3.614 10.240 6.985 371 HA GLU 46 HA GLU 46 4.986 11.532 9.213 372 1HB GLU 46 HB2 GLU 46 3.102 9.837 9.246 373 2HB GLU 46 HB3 GLU 46 4.388 8.660 8.975 374 1HG GLU 46 HG2 GLU 46 3.872 8.867 11.280 375 2HG GLU 46 HG3 GLU 46 5.512 9.401 11.012 376 H THR 47 H THR 47 6.069 9.968 6.439 377 HA THR 47 HA THR 47 8.819 9.935 7.398 378 HB THR 47 HB THR 47 8.198 7.848 8.363 379 HG1 THR 47 HG1 THR 47 10.147 7.614 7.773 380 1HG2 THR 47 1HG2 THR 47 7.583 5.869 6.914 381 2HG2 THR 47 2HG2 THR 47 6.332 7.066 7.236 382 3HG2 THR 47 3HG2 THR 47 7.119 7.036 5.647 383 H GLU 48 H GLU 48 9.203 7.793 5.014 384 HA GLU 48 HA GLU 48 9.299 9.803 2.892 385 1HB GLU 48 HB2 GLU 48 11.727 8.242 3.727 386 2HB GLU 48 HB3 GLU 48 11.654 9.606 2.595 387 1HG GLU 48 HG2 GLU 48 10.901 11.020 4.540 388 2HG GLU 48 HG3 GLU 48 11.170 9.627 5.570 389 H LEU 49 H LEU 49 7.618 8.311 2.392 390 HA LEU 49 HA LEU 49 8.106 5.847 1.024 391 1HB LEU 49 HB2 LEU 49 6.037 6.494 1.700 392 2HB LEU 49 HB3 LEU 49 6.020 7.945 0.616 393 HG LEU 49 HG LEU 49 6.596 5.408 -0.641 394 1HD1 LEU 49 1HD1 LEU 49 3.865 5.614 0.518 395 2HD1 LEU 49 2HD1 LEU 49 4.364 4.463 -0.750 396 3HD1 LEU 49 3HD1 LEU 49 5.124 4.389 0.854 397 1HD2 LEU 49 1HD2 LEU 49 5.926 7.292 -2.041 398 2HD2 LEU 49 2HD2 LEU 49 5.070 5.756 -2.283 399 3HD2 LEU 49 3HD2 LEU 49 4.240 7.072 -1.449 400 H LYS 50 H LYS 50 9.968 5.932 -0.056 401 HA LYS 50 HA LYS 50 10.740 7.320 -2.307 402 1HB LYS 50 HB2 LYS 50 12.019 5.518 -2.754 403 2HB LYS 50 HB3 LYS 50 11.664 5.161 -1.136 404 1HG LYS 50 HG2 LYS 50 9.738 3.890 -3.030 405 2HG LYS 50 HG3 LYS 50 11.410 3.477 -3.356 406 1HD LYS 50 HD2 LYS 50 10.368 1.869 -1.863 407 2HD LYS 50 HD3 LYS 50 11.646 2.799 -1.031 408 1HE LYS 50 HE2 LYS 50 10.099 4.200 0.071 409 2HE LYS 50 HE3 LYS 50 8.748 3.710 -0.955 410 1HZ LYS 50 HZ1 LYS 50 8.570 2.627 1.215 411 2HZ LYS 50 HZ2 LYS 50 8.727 1.519 0.010 412 3HZ LYS 50 HZ3 LYS 50 10.010 1.843 0.973 413 H ASP 51 H ASP 51 10.587 6.506 -4.596 414 HA ASP 51 HA ASP 51 7.873 7.046 -5.532 415 1HB ASP 51 HB2 ASP 51 8.771 6.627 -7.772 416 2HB ASP 51 HB3 ASP 51 9.714 7.811 -6.862 417 H THR 52 H THR 52 9.716 4.104 -5.124 418 HA THR 52 HA THR 52 8.415 2.376 -6.994 419 HB THR 52 HB THR 52 9.642 1.977 -4.251 420 HG1 THR 52 HG1 THR 52 10.835 1.637 -6.801 421 1HG2 THR 52 1HG2 THR 52 8.536 -0.051 -4.602 422 2HG2 THR 52 2HG2 THR 52 9.061 -0.164 -6.296 423 3HG2 THR 52 3HG2 THR 52 10.243 -0.369 -4.967 424 H ASP 53 H ASP 53 7.699 3.074 -3.622 425 HA ASP 53 HA ASP 53 5.687 1.033 -3.174 426 1HB ASP 53 HB2 ASP 53 7.187 2.594 -1.620 427 2HB ASP 53 HB3 ASP 53 5.950 3.700 -1.854 428 H ASP 54 H ASP 54 5.632 4.427 -3.941 429 HA ASP 54 HA ASP 54 2.914 5.051 -3.690 430 1HB ASP 54 HB2 ASP 54 5.260 6.457 -4.229 431 2HB ASP 54 HB3 ASP 54 4.820 6.253 -5.846 432 H ILE 55 H ILE 55 4.537 3.858 -6.359 433 HA ILE 55 HA ILE 55 2.377 4.334 -8.382 434 HB ILE 55 HB ILE 55 4.311 2.433 -9.393 435 1HG1 ILE 55 2HG1 ILE 55 5.907 4.685 -8.263 436 2HG1 ILE 55 3HG1 ILE 55 5.687 3.122 -7.465 437 1HG2 ILE 55 1HG2 ILE 55 4.663 4.166 -11.063 438 2HG2 ILE 55 2HG2 ILE 55 2.953 4.024 -10.611 439 3HG2 ILE 55 3HG2 ILE 55 3.927 5.380 -9.990 440 1HD1 ILE 55 1HD1 ILE 55 6.625 1.812 -8.916 441 2HD1 ILE 55 2HD1 ILE 55 6.686 3.037 -10.243 442 3HD1 ILE 55 3HD1 ILE 55 7.726 3.208 -8.809 443 H SER 56 H SER 56 4.064 1.655 -6.704 444 HA SER 56 HA SER 56 2.694 -0.367 -8.227 445 1HB SER 56 HB2 SER 56 4.597 -0.301 -6.128 446 2HB SER 56 HB3 SER 56 3.215 -1.098 -5.389 447 HG SER 56 HG SER 56 3.226 -2.612 -7.131 448 H VAL 57 H VAL 57 2.236 1.183 -5.133 449 HA VAL 57 HA VAL 57 -0.171 -0.220 -4.390 450 HB VAL 57 HB VAL 57 -0.182 1.379 -2.717 451 1HG1 VAL 57 1HG1 VAL 57 2.541 0.238 -2.820 452 2HG1 VAL 57 2HG1 VAL 57 1.595 0.778 -1.377 453 3HG1 VAL 57 3HG1 VAL 57 1.005 -0.593 -2.307 454 1HG2 VAL 57 1HG2 VAL 57 1.642 2.975 -4.049 455 2HG2 VAL 57 2HG2 VAL 57 0.209 3.345 -3.103 456 3HG2 VAL 57 3HG2 VAL 57 1.732 2.937 -2.277 457 H ARG 58 H ARG 58 0.445 3.318 -5.463 458 HA ARG 58 HA ARG 58 -2.289 3.663 -5.346 459 1HB ARG 58 HB2 ARG 58 -0.381 5.362 -6.013 460 2HB ARG 58 HB3 ARG 58 -0.976 5.142 -7.599 461 1HG ARG 58 HG2 ARG 58 -2.150 6.966 -6.617 462 2HG ARG 58 HG3 ARG 58 -3.306 5.649 -6.554 463 1HD ARG 58 HD2 ARG 58 -2.862 5.290 -4.186 464 2HD ARG 58 HD3 ARG 58 -1.444 6.340 -4.225 465 HE ARG 58 HE ARG 58 -4.191 7.099 -3.786 466 1HH1 ARG 58 1HH1 ARG 58 -1.294 8.461 -5.296 467 2HH1 ARG 58 2HH1 ARG 58 -1.826 10.087 -4.966 468 1HH2 ARG 58 1HH2 ARG 58 -4.648 9.130 -3.232 469 2HH2 ARG 58 2HH2 ARG 58 -3.714 10.475 -3.873 470 H ASP 59 H ASP 59 -0.502 2.282 -7.978 471 HA ASP 59 HA ASP 59 -2.620 2.751 -9.898 472 1HB ASP 59 HB2 ASP 59 -0.261 2.470 -10.504 473 2HB ASP 59 HB3 ASP 59 -0.308 0.776 -9.991 474 H ALA 60 H ALA 60 -1.937 0.508 -7.599 475 HA ALA 60 HA ALA 60 -3.567 -1.822 -8.340 476 1HB ALA 60 HB1 ALA 60 -1.382 -2.250 -7.296 477 2HB ALA 60 HB2 ALA 60 -1.741 -1.163 -5.939 478 3HB ALA 60 HB3 ALA 60 -2.667 -2.683 -6.133 479 H LEU 61 H LEU 61 -3.338 0.624 -5.852 480 HA LEU 61 HA LEU 61 -5.593 0.017 -4.325 481 1HB LEU 61 HB2 LEU 61 -3.425 1.213 -3.930 482 2HB LEU 61 HB3 LEU 61 -4.072 2.650 -4.735 483 HG LEU 61 HG LEU 61 -5.470 1.359 -2.549 484 1HD1 LEU 61 1HD1 LEU 61 -2.963 2.979 -2.107 485 2HD1 LEU 61 2HD1 LEU 61 -4.035 2.324 -0.814 486 3HD1 LEU 61 3HD1 LEU 61 -3.127 1.227 -1.886 487 1HD2 LEU 61 1HD2 LEU 61 -6.054 3.577 -1.840 488 2HD2 LEU 61 2HD2 LEU 61 -4.995 4.279 -3.094 489 3HD2 LEU 61 3HD2 LEU 61 -6.453 3.354 -3.547 490 H ALA 62 H ALA 62 -4.959 2.737 -6.597 491 HA ALA 62 HA ALA 62 -7.699 3.172 -7.135 492 1HB ALA 62 HB1 ALA 62 -5.416 3.734 -9.069 493 2HB ALA 62 HB2 ALA 62 -7.014 4.512 -9.049 494 3HB ALA 62 HB3 ALA 62 -5.884 4.803 -7.725 495 H GLY 63 H GLY 63 -5.675 0.694 -8.063 496 1HA GLY 63 HA2 GLY 63 -6.559 -0.348 -10.556 497 2HA GLY 63 HA3 GLY 63 -5.780 -1.197 -9.269 498 H LYS 64 H LYS 64 -7.116 -1.077 -7.167 499 HA LYS 64 HA LYS 64 -9.387 -2.800 -7.430 500 1HB LYS 64 HB2 LYS 64 -7.414 -3.109 -5.861 501 2HB LYS 64 HB3 LYS 64 -8.119 -1.812 -4.911 502 1HG LYS 64 HG2 LYS 64 -9.191 -3.711 -3.976 503 2HG LYS 64 HG3 LYS 64 -10.308 -3.204 -5.171 504 1HD LYS 64 HD2 LYS 64 -9.496 -4.937 -6.760 505 2HD LYS 64 HD3 LYS 64 -8.260 -5.429 -5.612 506 1HE LYS 64 HE2 LYS 64 -10.089 -5.982 -3.960 507 2HE LYS 64 HE3 LYS 64 -11.286 -5.570 -5.207 508 1HZ LYS 64 HZ1 LYS 64 -10.908 -7.916 -5.160 509 2HZ LYS 64 HZ2 LYS 64 -10.310 -7.353 -6.569 510 3HZ LYS 64 HZ3 LYS 64 -9.301 -7.756 -5.327 511 H ARG 65 H ARG 65 -8.992 0.637 -6.699 512 HA ARG 65 HA ARG 65 -11.289 0.987 -5.274 513 1HB ARG 65 HB2 ARG 65 -9.327 2.537 -6.067 514 2HB ARG 65 HB3 ARG 65 -10.455 3.097 -7.233 515 1HG ARG 65 HG2 ARG 65 -11.634 4.356 -5.575 516 2HG ARG 65 HG3 ARG 65 -11.518 3.044 -4.467 517 1HD ARG 65 HD2 ARG 65 -9.288 3.512 -3.806 518 2HD ARG 65 HD3 ARG 65 -8.988 4.457 -5.265 519 HE ARG 65 HE ARG 65 -10.918 5.510 -3.238 520 1HH1 ARG 65 2HH2 ARG 65 -7.946 6.110 -5.067 521 2HH1 ARG 65 1HH2 ARG 65 -7.747 7.667 -4.310 522 1HH2 ARG 65 2HH1 ARG 65 -10.477 7.369 -2.243 523 2HH2 ARG 65 1HH1 ARG 65 -9.158 8.390 -2.812 524 H ALA 66 H ALA 66 -10.914 0.977 -8.746 525 HA ALA 66 HA ALA 66 -13.672 1.664 -9.398 526 1HB ALA 66 HB1 ALA 66 -11.695 0.008 -10.995 527 2HB ALA 66 HB2 ALA 66 -13.236 0.682 -11.573 528 3HB ALA 66 HB3 ALA 66 -11.915 1.792 -11.097 529 H GLU 67 H GLU 67 -12.060 -1.358 -8.454 530 HA GLU 67 HA GLU 67 -13.976 -3.272 -9.489 531 1HB GLU 67 HB2 GLU 67 -12.008 -3.563 -7.241 532 2HB GLU 67 HB3 GLU 67 -12.744 -4.837 -8.209 533 1HG GLU 67 HG2 GLU 67 -10.799 -2.707 -9.277 534 2HG GLU 67 HG3 GLU 67 -10.458 -4.297 -8.674 535 H LEU 68 H LEU 68 -13.207 -1.530 -6.619 536 HA LEU 68 HA LEU 68 -14.835 -3.109 -4.801 537 1HB LEU 68 HB2 LEU 68 -12.645 -1.250 -4.650 538 2HB LEU 68 HB3 LEU 68 -13.808 -1.285 -3.286 539 HG LEU 68 HG LEU 68 -12.325 -3.664 -4.522 540 1HD1 LEU 68 1HD1 LEU 68 -12.170 -2.087 -1.977 541 2HD1 LEU 68 2HD1 LEU 68 -11.163 -3.531 -2.372 542 3HD1 LEU 68 3HD1 LEU 68 -11.080 -2.055 -3.379 543 1HD2 LEU 68 1HD2 LEU 68 -13.077 -4.634 -2.172 544 2HD2 LEU 68 2HD2 LEU 68 -14.128 -3.201 -2.064 545 3HD2 LEU 68 3HD2 LEU 68 -14.443 -4.466 -3.288 546 H GLU 69 H GLU 69 -14.899 -0.081 -6.432 547 HA GLU 69 HA GLU 69 -17.254 1.122 -5.398 548 1HB GLU 69 HB2 GLU 69 -15.223 1.389 -7.602 549 2HB GLU 69 HB3 GLU 69 -16.649 1.970 -7.870 550 1HG GLU 69 HG2 GLU 69 -16.396 3.255 -5.492 551 2HG GLU 69 HG3 GLU 69 -14.727 2.852 -5.771 552 H ASP 70 H ASP 70 -16.424 -1.070 -7.958 553 HA ASP 70 HA ASP 70 -19.193 -1.475 -8.969 554 1HB ASP 70 HB2 ASP 70 -16.503 -2.659 -9.604 555 2HB ASP 70 HB3 ASP 70 -17.883 -3.694 -9.818 556 H SER 71 H SER 71 -17.230 -2.375 -6.347 557 HA SER 71 HA SER 71 -19.258 -4.429 -5.493 558 1HB SER 71 HB2 SER 71 -16.830 -5.030 -5.512 559 2HB SER 71 HB3 SER 71 -16.583 -3.924 -4.139 560 HG SER 71 HG SER 71 -18.174 -5.154 -3.022 561 H ASP 72 H ASP 72 -19.563 -1.407 -5.407 562 HA ASP 72 HA ASP 72 -19.486 -0.305 -2.834 563 1HB ASP 72 HB2 ASP 72 -19.812 1.025 -4.762 564 2HB ASP 72 HB3 ASP 72 -21.328 0.198 -5.171 565 H ASP 73 H ASP 73 -21.778 -2.654 -4.102 566 HA ASP 73 HA ASP 73 -24.121 -2.365 -2.670 567 1HB ASP 73 HB2 ASP 73 -22.635 -4.795 -3.734 568 2HB ASP 73 HB3 ASP 73 -24.279 -4.822 -3.111 569 H GLU 74 H GLU 74 -24.221 -2.074 -0.539 570 HA GLU 74 HA GLU 74 -22.220 -2.887 1.303 571 1HB GLU 74 HB2 GLU 74 -24.959 -1.764 1.907 572 2HB GLU 74 HB3 GLU 74 -23.594 -1.893 3.036 573 1HG GLU 74 HG2 GLU 74 -22.235 -0.440 1.461 574 2HG GLU 74 HG3 GLU 74 -23.671 -0.287 0.458 575 H VAL 75 H VAL 75 -21.919 -4.731 2.231 576 HA VAL 75 HA VAL 75 -21.948 -6.919 2.687 577 HB VAL 75 HB VAL 75 -24.771 -6.335 3.552 578 1HG1 VAL 75 1HG1 VAL 75 -24.894 -8.658 2.857 579 2HG1 VAL 75 2HG1 VAL 75 -23.384 -9.030 3.734 580 3HG1 VAL 75 3HG1 VAL 75 -24.864 -8.567 4.615 581 1HG2 VAL 75 1HG2 VAL 75 -23.809 -6.752 5.801 582 2HG2 VAL 75 2HG2 VAL 75 -22.229 -7.088 5.061 583 3HG2 VAL 75 3HG2 VAL 75 -22.954 -5.461 4.949 584 H GLU 76 H GLU 76 -24.882 -6.236 1.096 585 HA GLU 76 HA GLU 76 -24.571 -8.358 -0.954 586 1HB GLU 76 HB2 GLU 76 -26.741 -9.226 -0.496 587 2HB GLU 76 HB3 GLU 76 -25.841 -9.242 0.982 588 1HG GLU 76 HG2 GLU 76 -27.030 -7.192 1.756 589 2HG GLU 76 HG3 GLU 76 -27.928 -7.124 0.221 590 H GLU 77 H GLU 77 -26.013 -5.337 0.017 591 HA GLU 77 HA GLU 77 -26.634 -4.488 -2.671 592 1HB GLU 77 HB2 GLU 77 -28.596 -5.978 -2.029 593 2HB GLU 77 HB3 GLU 77 -29.009 -4.783 -0.809 594 1HG GLU 77 HG2 GLU 77 -29.254 -3.056 -2.573 595 2HG GLU 77 HG3 GLU 77 -28.784 -4.238 -3.807 596 H SER 78 H SER 78 -27.606 -3.940 0.702 597 HA SER 78 HA SER 78 -26.920 -1.069 0.737 598 1HB SER 78 HB2 SER 78 -29.349 -0.441 0.917 599 2HB SER 78 HB3 SER 78 -28.892 -1.070 -0.661 600 HG SER 78 HG SER 78 -29.811 -3.063 -0.136 601 H PHE 79 H PHE 79 -26.635 -3.626 2.524 602 HA PHE 79 HA PHE 79 -28.423 -3.024 4.801 603 1HB PHE 79 HB2 PHE 79 -28.385 -5.270 3.761 604 2HB PHE 79 HB3 PHE 79 -26.706 -5.448 4.221 605 HD1 PHE 79 HD2 PHE 79 -30.178 -5.175 5.494 606 HD2 PHE 79 HD1 PHE 79 -26.073 -6.003 6.511 607 HE1 PHE 79 HE2 PHE 79 -30.911 -6.100 7.691 608 HE2 PHE 79 HE1 PHE 79 -26.804 -6.921 8.710 609 HZ PHE 79 HZ PHE 79 -29.220 -6.979 9.300 Start of MODEL 13 1 1H GLY 1 H1 GLY 1 24.574 -10.567 -11.139 2 2H GLY 1 H2 GLY 1 23.733 -10.103 -12.470 3 3H GLY 1 H3 GLY 1 23.355 -11.500 -11.703 4 1HA GLY 1 HA2 GLY 1 21.720 -9.813 -11.179 5 2HA GLY 1 HA3 GLY 1 22.617 -10.326 -9.740 6 H SER 2 H SER 2 21.191 -7.851 -10.239 7 HA SER 2 HA SER 2 23.352 -5.876 -9.642 8 1HB SER 2 HB2 SER 2 21.054 -5.397 -11.598 9 2HB SER 2 HB3 SER 2 22.239 -4.201 -11.080 10 HG SER 2 HG SER 2 22.725 -6.553 -12.587 11 H HIS 3 H HIS 3 21.265 -7.360 -8.071 12 HA HIS 3 HA HIS 3 19.555 -5.150 -7.011 13 1HB HIS 3 HB2 HIS 3 17.636 -6.647 -7.269 14 2HB HIS 3 HB3 HIS 3 18.438 -6.401 -8.805 15 HD2 HIS 3 HD2 HIS 3 17.317 -9.122 -6.468 16 HE1 HIS 3 HE1 HIS 3 19.779 -11.099 -9.326 17 HE2 HIS 3 HE2 HIS 3 18.118 -11.436 -7.434 18 H MET 4 H MET 4 21.899 -6.938 -5.863 19 HA MET 4 HA MET 4 20.816 -8.572 -3.775 20 1HB MET 4 HB2 MET 4 23.495 -7.155 -4.094 21 2HB MET 4 HB3 MET 4 23.142 -8.230 -2.745 22 1HG MET 4 HG2 MET 4 23.078 -9.007 -5.686 23 2HG MET 4 HG3 MET 4 24.389 -9.350 -4.567 24 1HE MET 4 HE1 MET 4 22.927 -10.336 -1.865 25 2HE MET 4 HE2 MET 4 22.930 -12.082 -2.197 26 3HE MET 4 HE3 MET 4 24.338 -11.099 -2.644 27 H LEU 5 H LEU 5 20.448 -8.314 -1.668 28 HA LEU 5 HA LEU 5 19.516 -5.712 -0.749 29 1HB LEU 5 HB2 LEU 5 19.585 -8.358 0.668 30 2HB LEU 5 HB3 LEU 5 18.694 -6.901 1.121 31 HG LEU 5 HG LEU 5 18.231 -8.724 -1.281 32 1HD1 LEU 5 1HD1 LEU 5 16.004 -8.846 -0.280 33 2HD1 LEU 5 2HD1 LEU 5 17.260 -9.266 0.908 34 3HD1 LEU 5 3HD1 LEU 5 16.506 -7.647 0.949 35 1HD2 LEU 5 1HD2 LEU 5 16.971 -5.988 -0.830 36 2HD2 LEU 5 2HD2 LEU 5 17.948 -6.490 -2.233 37 3HD2 LEU 5 3HD2 LEU 5 16.364 -7.215 -1.961 38 H LEU 6 H LEU 6 22.540 -7.292 -0.469 39 HA LEU 6 HA LEU 6 23.276 -7.008 2.163 40 1HB LEU 6 HB2 LEU 6 24.403 -8.375 0.469 41 2HB LEU 6 HB3 LEU 6 24.990 -6.927 -0.347 42 HG LEU 6 HG LEU 6 26.395 -6.375 1.644 43 1HD1 LEU 6 1HD1 LEU 6 25.113 -7.475 3.434 44 2HD1 LEU 6 2HD1 LEU 6 25.424 -9.067 2.699 45 3HD1 LEU 6 3HD1 LEU 6 26.757 -8.103 3.379 46 1HD2 LEU 6 1HD2 LEU 6 26.794 -9.186 0.552 47 2HD2 LEU 6 2HD2 LEU 6 27.318 -7.668 -0.220 48 3HD2 LEU 6 3HD2 LEU 6 28.032 -8.163 1.320 49 H GLU 7 H GLU 7 23.972 -4.618 -0.393 50 HA GLU 7 HA GLU 7 24.464 -2.449 1.579 51 1HB GLU 7 HB2 GLU 7 26.731 -1.991 0.818 52 2HB GLU 7 HB3 GLU 7 26.591 -3.601 1.502 53 1HG GLU 7 HG2 GLU 7 26.544 -4.591 -0.767 54 2HG GLU 7 HG3 GLU 7 26.681 -2.969 -1.469 55 H PHE 8 H PHE 8 22.579 -2.928 -0.632 56 HA PHE 8 HA PHE 8 23.043 -0.480 -2.269 57 1HB PHE 8 HB2 PHE 8 21.967 -3.085 -3.377 58 2HB PHE 8 HB3 PHE 8 22.300 -1.615 -4.269 59 HD1 PHE 8 HD1 PHE 8 24.751 -0.796 -4.428 60 HD2 PHE 8 HD2 PHE 8 23.662 -4.754 -3.114 61 HE1 PHE 8 HE1 PHE 8 27.036 -1.615 -4.964 62 HE2 PHE 8 HE2 PHE 8 25.945 -5.557 -3.635 63 HZ PHE 8 HZ PHE 8 27.637 -3.993 -4.565 64 H LYS 9 H LYS 9 21.012 0.135 -3.472 65 HA LYS 9 HA LYS 9 19.156 1.075 -1.635 66 1HB LYS 9 HB2 LYS 9 18.956 0.906 -4.655 67 2HB LYS 9 HB3 LYS 9 17.924 1.901 -3.615 68 1HG LYS 9 HG2 LYS 9 19.867 3.179 -2.810 69 2HG LYS 9 HG3 LYS 9 20.966 2.176 -3.740 70 1HD LYS 9 HD2 LYS 9 20.675 4.234 -4.918 71 2HD LYS 9 HD3 LYS 9 19.905 2.946 -5.858 72 1HE LYS 9 HE2 LYS 9 17.692 3.640 -4.979 73 2HE LYS 9 HE3 LYS 9 18.461 4.898 -3.994 74 1HZ LYS 9 HZ1 LYS 9 18.515 4.770 -6.944 75 2HZ LYS 9 HZ2 LYS 9 17.576 5.773 -6.048 76 3HZ LYS 9 HZ3 LYS 9 19.208 5.946 -6.030 77 H GLN 10 H GLN 10 18.870 -1.849 -3.459 78 HA GLN 10 HA GLN 10 16.181 -2.131 -3.790 79 1HB GLN 10 HB2 GLN 10 18.508 -4.080 -3.632 80 2HB GLN 10 HB3 GLN 10 16.876 -4.744 -3.721 81 1HG GLN 10 HG2 GLN 10 17.504 -4.559 -5.982 82 2HG GLN 10 HG3 GLN 10 16.333 -3.304 -5.537 83 1HE2 GLN 10 2HE2 GLN 10 16.981 -2.054 -7.433 84 2HE2 GLN 10 1HE2 GLN 10 18.512 -1.164 -7.392 85 H PHE 11 H PHE 11 17.854 -2.853 -0.928 86 HA PHE 11 HA PHE 11 15.898 -4.418 0.346 87 1HB PHE 11 HB2 PHE 11 16.808 -3.872 2.446 88 2HB PHE 11 HB3 PHE 11 18.159 -3.873 1.310 89 HD1 PHE 11 HD2 PHE 11 18.214 -1.231 0.145 90 HD2 PHE 11 HD1 PHE 11 17.340 -2.382 4.196 91 HE1 PHE 11 HE2 PHE 11 18.917 0.967 0.868 92 HE2 PHE 11 HE1 PHE 11 18.124 -0.164 4.973 93 HZ PHE 11 HZ PHE 11 18.937 1.527 3.329 94 H LEU 12 H LEU 12 15.856 -0.968 -0.320 95 HA LEU 12 HA LEU 12 13.579 -0.462 1.369 96 1HB LEU 12 HB2 LEU 12 15.509 1.105 -0.108 97 2HB LEU 12 HB3 LEU 12 13.900 1.579 -0.588 98 HG LEU 12 HG LEU 12 13.442 1.445 2.096 99 1HD1 LEU 12 1HD1 LEU 12 15.421 2.054 3.357 100 2HD1 LEU 12 2HD1 LEU 12 15.747 0.550 2.465 101 3HD1 LEU 12 3HD1 LEU 12 16.401 2.088 1.869 102 1HD2 LEU 12 1HD2 LEU 12 12.986 3.220 0.675 103 2HD2 LEU 12 2HD2 LEU 12 13.866 3.844 2.100 104 3HD2 LEU 12 3HD2 LEU 12 14.713 3.649 0.521 105 H TYR 13 H TYR 13 14.093 -1.428 -1.793 106 HA TYR 13 HA TYR 13 11.457 -0.656 -2.824 107 1HB TYR 13 HB2 TYR 13 13.943 -1.864 -4.091 108 2HB TYR 13 HB3 TYR 13 12.559 -1.314 -4.991 109 HD1 TYR 13 HD1 TYR 13 12.345 1.169 -2.765 110 HD2 TYR 13 HD2 TYR 13 15.276 -0.261 -5.574 111 HE1 TYR 13 HE1 TYR 13 13.333 3.372 -2.768 112 HE2 TYR 13 HE2 TYR 13 16.244 2.020 -5.665 113 HH TYR 13 HH TYR 13 14.922 4.733 -3.735 114 H GLU 14 H GLU 14 13.037 -3.664 -1.876 115 HA GLU 14 HA GLU 14 10.759 -5.375 -2.627 116 1HB GLU 14 HB2 GLU 14 13.119 -6.173 -2.254 117 2HB GLU 14 HB3 GLU 14 12.891 -5.885 -0.524 118 1HG GLU 14 HG2 GLU 14 11.029 -7.525 -0.497 119 2HG GLU 14 HG3 GLU 14 11.194 -7.730 -2.250 120 H ALA 15 H ALA 15 11.687 -3.464 0.141 121 HA ALA 15 HA ALA 15 9.932 -4.277 2.198 122 1HB ALA 15 HB1 ALA 15 10.792 -1.462 1.376 123 2HB ALA 15 HB2 ALA 15 10.303 -1.937 3.000 124 3HB ALA 15 HB3 ALA 15 11.836 -2.559 2.322 125 H SER 16 H SER 16 9.451 -2.167 -0.490 126 HA SER 16 HA SER 16 7.589 -0.383 0.323 127 1HB SER 16 HB2 SER 16 8.631 -1.587 -2.196 128 2HB SER 16 HB3 SER 16 7.177 -0.589 -2.396 129 HG SER 16 HG SER 16 8.601 0.983 -2.413 130 H ILE 17 H ILE 17 6.982 -3.575 -0.786 131 HA ILE 17 HA ILE 17 4.021 -3.275 -1.159 132 HB ILE 17 HB ILE 17 6.407 -3.698 -2.922 133 1HG1 ILE 17 2HG1 ILE 17 5.372 -2.583 -4.556 134 2HG1 ILE 17 3HG1 ILE 17 3.793 -3.218 -4.243 135 1HG2 ILE 17 1HG2 ILE 17 5.763 -6.003 -3.072 136 2HG2 ILE 17 2HG2 ILE 17 4.112 -5.553 -3.562 137 3HG2 ILE 17 3HG2 ILE 17 5.503 -5.167 -4.597 138 1HD1 ILE 17 1HD1 ILE 17 3.840 -0.817 -3.909 139 2HD1 ILE 17 2HD1 ILE 17 3.464 -1.608 -2.393 140 3HD1 ILE 17 3HD1 ILE 17 5.095 -0.966 -2.705 141 H ASP 18 H ASP 18 5.959 -4.646 0.842 142 HA ASP 18 HA ASP 18 5.684 -7.528 0.457 143 1HB ASP 18 HB2 ASP 18 7.666 -6.462 1.497 144 2HB ASP 18 HB3 ASP 18 6.666 -5.923 2.841 145 H GLU 19 H GLU 19 3.939 -5.136 2.244 146 HA GLU 19 HA GLU 19 1.935 -7.203 3.161 147 1HB GLU 19 HB2 GLU 19 2.836 -4.761 4.722 148 2HB GLU 19 HB3 GLU 19 1.497 -5.837 5.160 149 1HG GLU 19 HG2 GLU 19 3.099 -7.736 5.321 150 2HG GLU 19 HG3 GLU 19 4.429 -6.639 4.950 151 H PHE 20 H PHE 20 2.342 -3.721 2.429 152 HA PHE 20 HA PHE 20 -0.309 -2.909 2.629 153 1HB PHE 20 HB2 PHE 20 2.107 -1.745 2.037 154 2HB PHE 20 HB3 PHE 20 1.436 -1.771 0.417 155 HD1 PHE 20 HD2 PHE 20 -1.267 -1.015 0.430 156 HD2 PHE 20 HD1 PHE 20 1.805 0.272 3.189 157 HE1 PHE 20 HE2 PHE 20 -2.568 0.998 0.932 158 HE2 PHE 20 HE1 PHE 20 0.497 2.309 3.665 159 HZ PHE 20 HZ PHE 20 -1.694 2.668 2.576 160 H MET 21 H MET 21 1.282 -4.003 -0.370 161 HA MET 21 HA MET 21 -0.893 -3.721 -2.174 162 1HB MET 21 HB2 MET 21 1.564 -5.496 -1.978 163 2HB MET 21 HB3 MET 21 0.367 -5.911 -3.205 164 1HG MET 21 HG2 MET 21 1.613 -3.146 -2.908 165 2HG MET 21 HG3 MET 21 2.177 -4.463 -3.994 166 1HE MET 21 HE1 MET 21 -1.183 -4.727 -6.333 167 2HE MET 21 HE2 MET 21 0.075 -5.748 -5.601 168 3HE MET 21 HE3 MET 21 -1.380 -5.281 -4.673 169 H GLY 22 H GLY 22 -0.213 -6.173 0.206 170 1HA GLY 22 HA2 GLY 22 -2.341 -8.007 -0.601 171 2HA GLY 22 HA3 GLY 22 -1.316 -8.128 0.867 172 H LYS 23 H LYS 23 -2.090 -5.083 1.415 173 HA LYS 23 HA LYS 23 -4.136 -5.862 3.196 174 1HB LYS 23 HB2 LYS 23 -3.314 -4.380 4.599 175 2HB LYS 23 HB3 LYS 23 -1.903 -4.525 3.595 176 1HG LYS 23 HG2 LYS 23 -2.590 -2.549 2.364 177 2HG LYS 23 HG3 LYS 23 -3.978 -2.416 3.340 178 1HD LYS 23 HD2 LYS 23 -1.212 -2.595 4.553 179 2HD LYS 23 HD3 LYS 23 -1.848 -1.017 4.032 180 1HE LYS 23 HE2 LYS 23 -3.620 -1.143 5.663 181 2HE LYS 23 HE3 LYS 23 -3.374 -2.877 5.844 182 1HZ LYS 23 HZ1 LYS 23 -1.457 -0.821 6.760 183 2HZ LYS 23 HZ2 LYS 23 -2.543 -1.602 7.719 184 3HZ LYS 23 HZ3 LYS 23 -1.332 -2.442 6.994 185 H ILE 24 H ILE 24 -3.458 -3.759 0.423 186 HA ILE 24 HA ILE 24 -6.244 -3.001 0.025 187 HB ILE 24 HB ILE 24 -5.173 -2.544 -2.356 188 1HG1 ILE 24 2HG1 ILE 24 -2.647 -2.272 -0.926 189 2HG1 ILE 24 3HG1 ILE 24 -3.108 -3.458 -2.207 190 1HG2 ILE 24 1HG2 ILE 24 -4.256 -0.828 0.016 191 2HG2 ILE 24 2HG2 ILE 24 -4.930 -0.332 -1.562 192 3HG2 ILE 24 3HG2 ILE 24 -5.991 -0.952 -0.332 193 1HD1 ILE 24 1HD1 ILE 24 -2.853 -0.646 -2.467 194 2HD1 ILE 24 2HD1 ILE 24 -1.934 -1.965 -3.222 195 3HD1 ILE 24 3HD1 ILE 24 -3.679 -1.763 -3.655 196 H ALA 25 H ALA 25 -4.196 -5.565 -1.486 197 HA ALA 25 HA ALA 25 -6.238 -6.366 -3.286 198 1HB ALA 25 HB1 ALA 25 -5.040 -8.524 -3.433 199 2HB ALA 25 HB2 ALA 25 -3.964 -7.123 -3.595 200 3HB ALA 25 HB3 ALA 25 -4.034 -8.044 -2.066 201 H SER 26 H SER 26 -5.853 -6.836 0.121 202 HA SER 26 HA SER 26 -8.072 -8.726 0.328 203 1HB SER 26 HB2 SER 26 -6.021 -9.372 1.522 204 2HB SER 26 HB3 SER 26 -6.049 -7.821 2.408 205 HG SER 26 HG SER 26 -8.196 -8.472 3.062 206 H CYS 27 H CYS 27 -8.227 -5.530 -0.081 207 HA CYS 27 HA CYS 27 -8.906 -4.612 2.416 208 1HB CYS 27 HB2 CYS 27 -9.602 -2.639 1.326 209 2HB CYS 27 HB3 CYS 27 -8.174 -3.248 0.490 210 HG CYS 27 HG CYS 27 -8.952 -3.995 -1.573 211 H GLN 28 H GLN 28 -10.794 -6.212 0.056 212 HA GLN 28 HA GLN 28 -12.815 -7.129 -0.244 213 1HB GLN 28 HB2 GLN 28 -12.998 -6.786 2.765 214 2HB GLN 28 HB3 GLN 28 -14.106 -7.792 1.837 215 1HG GLN 28 HG2 GLN 28 -12.487 -9.426 1.417 216 2HG GLN 28 HG3 GLN 28 -11.134 -8.316 1.682 217 1HE2 GLN 28 1HE2 GLN 28 -10.567 -7.679 3.799 218 2HE2 GLN 28 2HE2 GLN 28 -11.164 -8.550 5.217 219 H THR 29 H THR 29 -12.746 -3.960 0.568 220 HA THR 29 HA THR 29 -15.604 -3.363 0.029 221 HB THR 29 HB THR 29 -15.566 -1.861 2.079 222 HG1 THR 29 HG1 THR 29 -13.325 -3.470 2.690 223 1HG2 THR 29 1HG2 THR 29 -16.385 -3.496 3.685 224 2HG2 THR 29 2HG2 THR 29 -16.918 -3.978 2.066 225 3HG2 THR 29 3HG2 THR 29 -15.546 -4.817 2.844 226 H LEU 30 H LEU 30 -15.819 -1.232 -0.818 227 HA LEU 30 HA LEU 30 -13.225 -0.127 -1.653 228 1HB LEU 30 HB2 LEU 30 -15.546 0.125 -2.926 229 2HB LEU 30 HB3 LEU 30 -15.832 1.333 -1.711 230 HG LEU 30 HG LEU 30 -13.107 1.802 -2.406 231 1HD1 LEU 30 1HD1 LEU 30 -14.493 0.921 -4.767 232 2HD1 LEU 30 2HD1 LEU 30 -13.273 2.164 -4.829 233 3HD1 LEU 30 3HD1 LEU 30 -12.863 0.622 -4.116 234 1HD2 LEU 30 1HD2 LEU 30 -13.787 3.753 -3.397 235 2HD2 LEU 30 2HD2 LEU 30 -15.479 3.090 -3.517 236 3HD2 LEU 30 3HD2 LEU 30 -14.730 3.347 -1.857 237 H GLU 31 H GLU 31 -15.754 0.421 0.631 238 HA GLU 31 HA GLU 31 -15.068 2.884 1.577 239 1HB GLU 31 HB2 GLU 31 -17.106 1.183 1.763 240 2HB GLU 31 HB3 GLU 31 -16.263 0.508 3.162 241 1HG GLU 31 HG2 GLU 31 -16.167 2.681 4.058 242 2HG GLU 31 HG3 GLU 31 -17.260 3.367 2.827 243 H GLY 32 H GLY 32 -13.953 -0.279 2.454 244 1HA GLY 32 HA2 GLY 32 -12.082 0.695 4.427 245 2HA GLY 32 HA3 GLY 32 -12.114 -0.960 3.871 246 H LEU 33 H LEU 33 -11.767 -0.231 1.014 247 HA LEU 33 HA LEU 33 -8.951 0.068 0.832 248 1HB LEU 33 HB2 LEU 33 -10.631 -0.822 -0.838 249 2HB LEU 33 HB3 LEU 33 -11.339 0.670 -1.056 250 HG LEU 33 HG LEU 33 -9.513 1.643 -2.268 251 1HD1 LEU 33 1HD1 LEU 33 -7.560 0.934 -1.122 252 2HD1 LEU 33 2HD1 LEU 33 -7.909 -0.791 -1.497 253 3HD1 LEU 33 3HD1 LEU 33 -7.488 0.356 -2.795 254 1HD2 LEU 33 1HD2 LEU 33 -9.658 -1.251 -3.094 255 2HD2 LEU 33 2HD2 LEU 33 -10.950 -0.052 -3.387 256 3HD2 LEU 33 3HD2 LEU 33 -9.346 0.183 -4.096 257 H GLU 34 H GLU 34 -11.433 2.383 0.357 258 HA GLU 34 HA GLU 34 -10.118 4.823 -0.016 259 1HB GLU 34 HB2 GLU 34 -12.656 3.871 1.154 260 2HB GLU 34 HB3 GLU 34 -12.319 5.626 1.238 261 1HG GLU 34 HG2 GLU 34 -12.365 3.948 -1.348 262 2HG GLU 34 HG3 GLU 34 -13.668 4.928 -0.665 263 H GLU 35 H GLU 35 -10.809 3.008 2.951 264 HA GLU 35 HA GLU 35 -9.977 4.978 4.939 265 1HB GLU 35 HB2 GLU 35 -11.503 3.420 5.854 266 2HB GLU 35 HB3 GLU 35 -11.164 2.342 4.679 267 1HG GLU 35 HG2 GLU 35 -10.854 1.360 6.615 268 2HG GLU 35 HG3 GLU 35 -9.266 1.593 5.916 269 H LEU 36 H LEU 36 -8.660 1.986 3.481 270 HA LEU 36 HA LEU 36 -6.066 2.133 4.423 271 1HB LEU 36 HB2 LEU 36 -6.739 1.024 1.686 272 2HB LEU 36 HB3 LEU 36 -5.288 0.742 2.587 273 HG LEU 36 HG LEU 36 -7.983 -0.183 3.618 274 1HD1 LEU 36 1HD1 LEU 36 -7.459 -1.283 1.456 275 2HD1 LEU 36 2HD1 LEU 36 -5.842 -1.686 2.062 276 3HD1 LEU 36 3HD1 LEU 36 -7.283 -2.395 2.825 277 1HD2 LEU 36 1HD2 LEU 36 -5.134 -0.717 4.223 278 2HD2 LEU 36 2HD2 LEU 36 -6.331 0.105 5.254 279 3HD2 LEU 36 3HD2 LEU 36 -6.513 -1.648 4.899 280 H GLU 37 H GLU 37 -7.568 3.667 1.556 281 HA GLU 37 HA GLU 37 -5.362 4.761 0.553 282 1HB GLU 37 HB2 GLU 37 -7.687 4.639 -0.386 283 2HB GLU 37 HB3 GLU 37 -8.106 6.125 0.365 284 1HG GLU 37 HG2 GLU 37 -5.661 5.800 -1.339 285 2HG GLU 37 HG3 GLU 37 -7.249 5.985 -2.128 286 H ALA 38 H ALA 38 -7.749 6.187 2.742 287 HA ALA 38 HA ALA 38 -6.412 8.615 3.097 288 1HB ALA 38 HB1 ALA 38 -8.767 8.214 3.872 289 2HB ALA 38 HB2 ALA 38 -8.186 7.035 5.066 290 3HB ALA 38 HB3 ALA 38 -7.771 8.750 5.249 291 H TYR 39 H TYR 39 -6.150 5.467 4.866 292 HA TYR 39 HA TYR 39 -4.246 6.324 6.718 293 1HB TYR 39 HB2 TYR 39 -5.077 4.349 7.429 294 2HB TYR 39 HB3 TYR 39 -5.294 3.751 5.796 295 HD1 TYR 39 HD1 TYR 39 -2.629 4.156 8.410 296 HD2 TYR 39 HD2 TYR 39 -3.866 2.330 4.702 297 HE1 TYR 39 HE1 TYR 39 -0.577 2.757 8.405 298 HE2 TYR 39 HE2 TYR 39 -1.844 1.031 4.652 299 HH TYR 39 HH TYR 39 0.634 1.166 7.285 300 H TYR 40 H TYR 40 -3.723 5.081 3.377 301 HA TYR 40 HA TYR 40 -0.900 5.048 3.231 302 1HB TYR 40 HB2 TYR 40 -2.413 4.276 1.413 303 2HB TYR 40 HB3 TYR 40 -2.983 5.907 1.174 304 HD1 TYR 40 HD2 TYR 40 0.244 4.004 1.238 305 HD2 TYR 40 HD1 TYR 40 -1.998 7.310 -0.383 306 HE1 TYR 40 HE2 TYR 40 2.125 4.578 -0.251 307 HE2 TYR 40 HE1 TYR 40 -0.132 7.864 -1.871 308 HH TYR 40 HH TYR 40 1.949 6.924 -2.807 309 H LYS 41 H LYS 41 -3.219 7.704 2.435 310 HA LYS 41 HA LYS 41 -1.291 9.729 2.080 311 1HB LYS 41 HB2 LYS 41 -4.136 9.945 2.898 312 2HB LYS 41 HB3 LYS 41 -3.144 11.299 2.347 313 1HG LYS 41 HG2 LYS 41 -3.164 8.866 0.549 314 2HG LYS 41 HG3 LYS 41 -4.661 9.690 0.740 315 1HD LYS 41 HD2 LYS 41 -3.716 10.686 -1.119 316 2HD LYS 41 HD3 LYS 41 -3.378 11.871 0.148 317 1HE LYS 41 HE2 LYS 41 -1.241 10.266 0.367 318 2HE LYS 41 HE3 LYS 41 -1.570 9.950 -1.327 319 1HZ LYS 41 HZ1 LYS 41 -1.079 12.646 -0.197 320 2HZ LYS 41 HZ2 LYS 41 -0.040 11.791 -1.127 321 3HZ LYS 41 HZ3 LYS 41 -1.451 12.325 -1.761 322 H LYS 42 H LYS 42 -2.851 8.694 5.196 323 HA LYS 42 HA LYS 42 -1.940 10.701 6.924 324 1HB LYS 42 HB2 LYS 42 -3.033 7.904 6.949 325 2HB LYS 42 HB3 LYS 42 -2.369 8.448 8.389 326 1HG LYS 42 HG2 LYS 42 -4.819 9.410 6.962 327 2HG LYS 42 HG3 LYS 42 -4.651 8.803 8.616 328 1HD LYS 42 HD2 LYS 42 -4.889 10.991 9.176 329 2HD LYS 42 HD3 LYS 42 -3.152 11.080 8.768 330 1HE LYS 42 HE2 LYS 42 -3.849 11.540 6.377 331 2HE LYS 42 HE3 LYS 42 -5.516 11.639 6.933 332 1HZ LYS 42 HZ1 LYS 42 -4.559 13.833 6.801 333 2HZ LYS 42 HZ2 LYS 42 -4.924 13.474 8.357 334 3HZ LYS 42 HZ3 LYS 42 -3.364 13.450 7.858 335 H ARG 43 H ARG 43 -0.634 7.516 6.004 336 HA ARG 43 HA ARG 43 1.608 7.444 7.799 337 1HB ARG 43 HB2 ARG 43 0.655 5.442 6.942 338 2HB ARG 43 HB3 ARG 43 0.689 6.012 5.281 339 1HG ARG 43 HG2 ARG 43 3.168 5.896 5.275 340 2HG ARG 43 HG3 ARG 43 3.107 5.095 6.873 341 1HD ARG 43 HD2 ARG 43 1.757 3.270 5.908 342 2HD ARG 43 HD3 ARG 43 1.685 4.107 4.353 343 HE ARG 43 HE ARG 43 4.133 2.904 5.593 344 1HH1 ARG 43 1HH2 ARG 43 2.558 3.927 2.558 345 2HH1 ARG 43 2HH2 ARG 43 3.846 3.146 1.645 346 1HH2 ARG 43 1HH1 ARG 43 5.649 2.022 4.204 347 2HH2 ARG 43 2HH1 ARG 43 5.397 2.202 2.460 348 H VAL 44 H VAL 44 1.487 8.276 4.323 349 HA VAL 44 HA VAL 44 4.087 8.047 3.748 350 HB VAL 44 HB VAL 44 1.581 9.417 2.760 351 1HG1 VAL 44 1HG1 VAL 44 4.064 9.654 1.088 352 2HG1 VAL 44 2HG1 VAL 44 2.343 9.912 0.629 353 3HG1 VAL 44 3HG1 VAL 44 3.099 10.990 1.825 354 1HG2 VAL 44 1HG2 VAL 44 1.910 7.608 1.111 355 2HG2 VAL 44 2HG2 VAL 44 3.486 7.252 1.905 356 3HG2 VAL 44 3HG2 VAL 44 2.012 7.022 2.795 357 H LYS 45 H LYS 45 2.752 10.804 5.231 358 HA LYS 45 HA LYS 45 5.074 12.459 4.953 359 1HB LYS 45 HB2 LYS 45 3.762 14.016 6.304 360 2HB LYS 45 HB3 LYS 45 2.743 13.169 5.120 361 1HG LYS 45 HG2 LYS 45 2.321 11.438 7.028 362 2HG LYS 45 HG3 LYS 45 3.058 12.661 8.076 363 1HD LYS 45 HD2 LYS 45 0.721 12.933 8.330 364 2HD LYS 45 HD3 LYS 45 1.224 14.297 7.309 365 1HE LYS 45 HE2 LYS 45 0.537 11.696 5.959 366 2HE LYS 45 HE3 LYS 45 -0.821 12.535 6.755 367 1HZ LYS 45 HZ1 LYS 45 0.889 13.796 4.694 368 2HZ LYS 45 HZ2 LYS 45 -0.612 13.184 4.451 369 3HZ LYS 45 HZ3 LYS 45 -0.405 14.485 5.434 370 H GLU 46 H GLU 46 3.945 10.169 7.235 371 HA GLU 46 HA GLU 46 5.461 10.782 9.668 372 1HB GLU 46 HB2 GLU 46 3.050 9.993 9.399 373 2HB GLU 46 HB3 GLU 46 3.806 8.412 9.121 374 1HG GLU 46 HG2 GLU 46 3.137 8.735 11.415 375 2HG GLU 46 HG3 GLU 46 4.862 8.465 11.244 376 H THR 47 H THR 47 5.936 9.158 6.806 377 HA THR 47 HA THR 47 8.416 7.974 7.760 378 HB THR 47 HB THR 47 6.904 6.184 8.275 379 HG1 THR 47 HG1 THR 47 7.923 4.578 7.353 380 1HG2 THR 47 1HG2 THR 47 6.014 6.366 5.381 381 2HG2 THR 47 2HG2 THR 47 5.759 4.927 6.402 382 3HG2 THR 47 3HG2 THR 47 5.064 6.476 6.896 383 H GLU 48 H GLU 48 8.356 6.305 5.081 384 HA GLU 48 HA GLU 48 9.734 8.410 3.613 385 1HB GLU 48 HB2 GLU 48 10.968 5.811 4.411 386 2HB GLU 48 HB3 GLU 48 11.769 7.189 3.616 387 1HG GLU 48 HG2 GLU 48 11.105 8.562 5.654 388 2HG GLU 48 HG3 GLU 48 10.589 7.050 6.406 389 H LEU 49 H LEU 49 7.497 7.607 2.733 390 HA LEU 49 HA LEU 49 7.506 5.577 0.703 391 1HB LEU 49 HB2 LEU 49 5.511 6.471 1.708 392 2HB LEU 49 HB3 LEU 49 5.826 8.088 1.171 393 HG LEU 49 HG LEU 49 4.048 7.139 -0.079 394 1HD1 LEU 49 1HD1 LEU 49 6.288 7.350 -2.010 395 2HD1 LEU 49 2HD1 LEU 49 4.598 7.867 -2.138 396 3HD1 LEU 49 3HD1 LEU 49 5.704 8.740 -1.052 397 1HD2 LEU 49 1HD2 LEU 49 4.284 5.244 -1.506 398 2HD2 LEU 49 2HD2 LEU 49 5.997 5.070 -1.060 399 3HD2 LEU 49 3HD2 LEU 49 4.703 4.829 0.154 400 H LYS 50 H LYS 50 9.433 5.624 -0.124 401 HA LYS 50 HA LYS 50 10.513 7.487 -1.997 402 1HB LYS 50 HB2 LYS 50 11.861 5.674 -2.619 403 2HB LYS 50 HB3 LYS 50 11.514 5.277 -1.006 404 1HG LYS 50 HG2 LYS 50 9.462 4.000 -2.633 405 2HG LYS 50 HG3 LYS 50 11.046 3.787 -3.385 406 1HD LYS 50 HD2 LYS 50 10.608 1.964 -1.871 407 2HD LYS 50 HD3 LYS 50 11.885 2.982 -1.194 408 1HE LYS 50 HE2 LYS 50 10.341 4.105 0.221 409 2HE LYS 50 HE3 LYS 50 8.937 3.275 -0.474 410 1HZ LYS 50 HZ1 LYS 50 9.901 1.164 0.351 411 2HZ LYS 50 HZ2 LYS 50 11.040 2.004 1.179 412 3HZ LYS 50 HZ3 LYS 50 9.459 2.180 1.570 413 H ASP 51 H ASP 51 10.533 6.786 -4.438 414 HA ASP 51 HA ASP 51 7.848 7.226 -5.476 415 1HB ASP 51 HB2 ASP 51 8.830 6.934 -7.666 416 2HB ASP 51 HB3 ASP 51 9.752 8.077 -6.674 417 H THR 52 H THR 52 9.895 4.346 -5.185 418 HA THR 52 HA THR 52 8.597 2.570 -6.881 419 HB THR 52 HB THR 52 9.789 2.130 -4.153 420 HG1 THR 52 HG1 THR 52 11.778 1.865 -5.265 421 1HG2 THR 52 1HG2 THR 52 10.618 -0.081 -5.052 422 2HG2 THR 52 2HG2 THR 52 8.859 -0.005 -4.975 423 3HG2 THR 52 3HG2 THR 52 9.682 0.223 -6.549 424 H ASP 53 H ASP 53 7.880 3.090 -3.360 425 HA ASP 53 HA ASP 53 5.897 0.964 -3.284 426 1HB ASP 53 HB2 ASP 53 6.748 1.376 -1.214 427 2HB ASP 53 HB3 ASP 53 6.841 3.111 -1.373 428 H ASP 54 H ASP 54 5.863 4.458 -3.721 429 HA ASP 54 HA ASP 54 3.141 4.898 -3.378 430 1HB ASP 54 HB2 ASP 54 5.207 6.460 -3.776 431 2HB ASP 54 HB3 ASP 54 4.927 6.261 -5.451 432 H ILE 55 H ILE 55 4.914 4.064 -6.340 433 HA ILE 55 HA ILE 55 2.496 4.475 -8.019 434 HB ILE 55 HB ILE 55 4.656 2.839 -9.264 435 1HG1 ILE 55 2HG1 ILE 55 5.653 5.450 -9.681 436 2HG1 ILE 55 3HG1 ILE 55 5.408 5.337 -7.971 437 1HG2 ILE 55 1HG2 ILE 55 4.114 4.211 -11.192 438 2HG2 ILE 55 2HG2 ILE 55 2.613 3.644 -10.442 439 3HG2 ILE 55 3HG2 ILE 55 3.151 5.314 -10.188 440 1HD1 ILE 55 1HD1 ILE 55 7.647 4.438 -8.563 441 2HD1 ILE 55 2HD1 ILE 55 6.625 3.066 -8.040 442 3HD1 ILE 55 3HD1 ILE 55 6.919 3.358 -9.768 443 H SER 56 H SER 56 4.396 1.741 -6.782 444 HA SER 56 HA SER 56 2.993 -0.219 -8.309 445 1HB SER 56 HB2 SER 56 4.916 -0.087 -6.049 446 2HB SER 56 HB3 SER 56 3.910 -1.549 -6.063 447 HG SER 56 HG SER 56 5.892 -1.707 -7.321 448 H VAL 57 H VAL 57 2.555 0.976 -5.061 449 HA VAL 57 HA VAL 57 0.343 -0.776 -4.372 450 HB VAL 57 HB VAL 57 2.215 0.381 -2.857 451 1HG1 VAL 57 1HG1 VAL 57 -0.158 2.159 -2.448 452 2HG1 VAL 57 2HG1 VAL 57 1.345 2.049 -1.495 453 3HG1 VAL 57 3HG1 VAL 57 1.458 2.609 -3.171 454 1HG2 VAL 57 1HG2 VAL 57 0.570 -1.344 -2.150 455 2HG2 VAL 57 2HG2 VAL 57 0.818 -0.067 -0.946 456 3HG2 VAL 57 3HG2 VAL 57 -0.648 -0.065 -1.954 457 H ARG 58 H ARG 58 0.700 2.755 -5.101 458 HA ARG 58 HA ARG 58 -2.069 3.200 -4.761 459 1HB ARG 58 HB2 ARG 58 -0.174 4.918 -5.310 460 2HB ARG 58 HB3 ARG 58 -0.743 4.806 -6.936 461 1HG ARG 58 HG2 ARG 58 -2.016 6.520 -6.129 462 2HG ARG 58 HG3 ARG 58 -3.115 5.195 -5.817 463 1HD ARG 58 HD2 ARG 58 -2.461 5.111 -3.452 464 2HD ARG 58 HD3 ARG 58 -1.143 6.248 -3.716 465 HE ARG 58 HE ARG 58 -3.925 6.901 -3.276 466 1HH1 ARG 58 1HH1 ARG 58 -1.012 8.165 -4.806 467 2HH1 ARG 58 2HH1 ARG 58 -1.601 9.805 -4.734 468 1HH2 ARG 58 1HH2 ARG 58 -4.539 8.976 -3.113 469 2HH2 ARG 58 2HH2 ARG 58 -3.586 10.251 -3.851 470 H ASP 59 H ASP 59 -0.266 2.244 -7.656 471 HA ASP 59 HA ASP 59 -2.471 2.662 -9.391 472 1HB ASP 59 HB2 ASP 59 -0.121 2.354 -10.125 473 2HB ASP 59 HB3 ASP 59 -0.211 0.634 -9.748 474 H ALA 60 H ALA 60 -1.849 0.219 -7.199 475 HA ALA 60 HA ALA 60 -3.539 -1.969 -8.122 476 1HB ALA 60 HB1 ALA 60 -2.624 -3.054 -6.085 477 2HB ALA 60 HB2 ALA 60 -1.338 -2.526 -7.213 478 3HB ALA 60 HB3 ALA 60 -1.665 -1.595 -5.741 479 H LEU 61 H LEU 61 -3.217 0.345 -5.412 480 HA LEU 61 HA LEU 61 -5.541 -0.241 -4.017 481 1HB LEU 61 HB2 LEU 61 -3.402 1.045 -3.486 482 2HB LEU 61 HB3 LEU 61 -3.949 2.343 -4.476 483 HG LEU 61 HG LEU 61 -5.728 1.397 -2.390 484 1HD1 LEU 61 1HD1 LEU 61 -3.255 2.945 -1.683 485 2HD1 LEU 61 2HD1 LEU 61 -4.556 2.463 -0.564 486 3HD1 LEU 61 3HD1 LEU 61 -3.537 1.214 -1.337 487 1HD2 LEU 61 1HD2 LEU 61 -6.332 3.388 -3.756 488 2HD2 LEU 61 2HD2 LEU 61 -6.283 3.685 -2.024 489 3HD2 LEU 61 3HD2 LEU 61 -4.927 4.230 -3.048 490 H ALA 62 H ALA 62 -4.835 2.431 -6.324 491 HA ALA 62 HA ALA 62 -7.536 2.981 -6.896 492 1HB ALA 62 HB1 ALA 62 -6.710 4.264 -8.818 493 2HB ALA 62 HB2 ALA 62 -5.646 4.526 -7.418 494 3HB ALA 62 HB3 ALA 62 -5.153 3.415 -8.718 495 H GLY 63 H GLY 63 -5.557 0.471 -7.881 496 1HA GLY 63 HA2 GLY 63 -6.449 -0.523 -10.328 497 2HA GLY 63 HA3 GLY 63 -5.685 -1.396 -9.057 498 H LYS 64 H LYS 64 -7.078 -1.272 -6.924 499 HA LYS 64 HA LYS 64 -9.345 -3.001 -7.342 500 1HB LYS 64 HB2 LYS 64 -7.460 -3.298 -5.616 501 2HB LYS 64 HB3 LYS 64 -8.268 -2.020 -4.707 502 1HG LYS 64 HG2 LYS 64 -9.798 -3.527 -3.929 503 2HG LYS 64 HG3 LYS 64 -10.252 -3.915 -5.574 504 1HD LYS 64 HD2 LYS 64 -8.383 -5.564 -5.711 505 2HD LYS 64 HD3 LYS 64 -8.054 -5.258 -3.989 506 1HE LYS 64 HE2 LYS 64 -10.354 -5.963 -3.403 507 2HE LYS 64 HE3 LYS 64 -10.738 -6.177 -5.115 508 1HZ LYS 64 HZ1 LYS 64 -8.761 -7.776 -3.598 509 2HZ LYS 64 HZ2 LYS 64 -10.233 -8.282 -4.133 510 3HZ LYS 64 HZ3 LYS 64 -9.061 -7.927 -5.208 511 H ARG 65 H ARG 65 -8.904 0.355 -6.500 512 HA ARG 65 HA ARG 65 -11.298 0.863 -5.317 513 1HB ARG 65 HB2 ARG 65 -9.227 2.273 -5.817 514 2HB ARG 65 HB3 ARG 65 -10.087 2.843 -7.215 515 1HG ARG 65 HG2 ARG 65 -11.549 4.194 -5.899 516 2HG ARG 65 HG3 ARG 65 -11.522 3.040 -4.609 517 1HD ARG 65 HD2 ARG 65 -9.253 3.599 -3.953 518 2HD ARG 65 HD3 ARG 65 -8.978 4.445 -5.468 519 HE ARG 65 HE ARG 65 -11.023 5.563 -3.609 520 1HH1 ARG 65 1HH2 ARG 65 -7.869 6.088 -5.150 521 2HH1 ARG 65 2HH2 ARG 65 -7.734 7.671 -4.428 522 1HH2 ARG 65 1HH1 ARG 65 -10.645 7.428 -2.625 523 2HH2 ARG 65 2HH1 ARG 65 -9.300 8.455 -3.105 524 H ALA 66 H ALA 66 -10.567 0.838 -8.762 525 HA ALA 66 HA ALA 66 -13.181 1.630 -9.714 526 1HB ALA 66 HB1 ALA 66 -12.526 0.610 -11.822 527 2HB ALA 66 HB2 ALA 66 -11.215 1.641 -11.184 528 3HB ALA 66 HB3 ALA 66 -11.118 -0.142 -11.046 529 H GLU 67 H GLU 67 -11.871 -1.470 -8.607 530 HA GLU 67 HA GLU 67 -13.759 -3.278 -9.875 531 1HB GLU 67 HB2 GLU 67 -12.079 -3.632 -7.397 532 2HB GLU 67 HB3 GLU 67 -12.824 -4.899 -8.384 533 1HG GLU 67 HG2 GLU 67 -10.624 -2.960 -9.321 534 2HG GLU 67 HG3 GLU 67 -10.446 -4.507 -8.553 535 H LEU 68 H LEU 68 -13.230 -1.561 -6.937 536 HA LEU 68 HA LEU 68 -15.168 -2.954 -5.282 537 1HB LEU 68 HB2 LEU 68 -12.913 -1.199 -4.948 538 2HB LEU 68 HB3 LEU 68 -14.190 -1.162 -3.707 539 HG LEU 68 HG LEU 68 -12.736 -3.656 -4.701 540 1HD1 LEU 68 1HD1 LEU 68 -11.470 -2.168 -3.635 541 2HD1 LEU 68 2HD1 LEU 68 -12.625 -1.987 -2.270 542 3HD1 LEU 68 3HD1 LEU 68 -11.849 -3.584 -2.589 543 1HD2 LEU 68 1HD2 LEU 68 -13.781 -4.503 -2.438 544 2HD2 LEU 68 2HD2 LEU 68 -14.639 -2.965 -2.372 545 3HD2 LEU 68 3HD2 LEU 68 -15.061 -4.171 -3.614 546 H GLU 69 H GLU 69 -14.808 0.027 -6.971 547 HA GLU 69 HA GLU 69 -17.128 1.427 -6.168 548 1HB GLU 69 HB2 GLU 69 -14.855 1.495 -8.139 549 2HB GLU 69 HB3 GLU 69 -16.170 2.182 -8.644 550 1HG GLU 69 HG2 GLU 69 -16.165 3.651 -6.408 551 2HG GLU 69 HG3 GLU 69 -14.598 2.923 -6.184 552 H ASP 70 H ASP 70 -16.270 -0.858 -8.634 553 HA ASP 70 HA ASP 70 -18.959 -1.059 -9.887 554 1HB ASP 70 HB2 ASP 70 -16.344 -2.400 -10.249 555 2HB ASP 70 HB3 ASP 70 -17.667 -3.515 -10.251 556 H SER 71 H SER 71 -17.299 -2.098 -7.061 557 HA SER 71 HA SER 71 -19.560 -3.916 -6.339 558 1HB SER 71 HB2 SER 71 -17.069 -4.568 -6.151 559 2HB SER 71 HB3 SER 71 -17.061 -3.614 -4.657 560 HG SER 71 HG SER 71 -18.675 -5.877 -5.309 561 H ASP 72 H ASP 72 -19.671 -0.895 -6.289 562 HA ASP 72 HA ASP 72 -19.485 0.286 -3.774 563 1HB ASP 72 HB2 ASP 72 -19.597 1.531 -5.775 564 2HB ASP 72 HB3 ASP 72 -21.235 0.942 -6.137 565 H ASP 73 H ASP 73 -21.887 -1.980 -4.653 566 HA ASP 73 HA ASP 73 -24.297 -1.310 -3.508 567 1HB ASP 73 HB2 ASP 73 -23.936 -3.327 -4.735 568 2HB ASP 73 HB3 ASP 73 -22.863 -3.919 -3.478 569 H GLU 74 H GLU 74 -25.239 -1.137 -1.565 570 HA GLU 74 HA GLU 74 -23.453 -1.050 0.815 571 1HB GLU 74 HB2 GLU 74 -25.816 0.717 0.193 572 2HB GLU 74 HB3 GLU 74 -24.738 0.828 1.601 573 1HG GLU 74 HG2 GLU 74 -22.789 1.111 -0.019 574 2HG GLU 74 HG3 GLU 74 -23.977 1.174 -1.308 575 H VAL 75 H VAL 75 -24.252 -1.363 2.878 576 HA VAL 75 HA VAL 75 -25.705 -3.666 3.375 577 HB VAL 75 HB VAL 75 -25.362 -1.309 5.256 578 1HG1 VAL 75 1HG1 VAL 75 -27.144 -2.747 6.159 579 2HG1 VAL 75 2HG1 VAL 75 -26.162 -4.197 5.848 580 3HG1 VAL 75 3HG1 VAL 75 -25.661 -3.021 7.075 581 1HG2 VAL 75 1HG2 VAL 75 -23.774 -3.904 4.934 582 2HG2 VAL 75 2HG2 VAL 75 -23.218 -2.281 4.473 583 3HG2 VAL 75 3HG2 VAL 75 -23.499 -2.656 6.174 584 H GLU 76 H GLU 76 -27.653 -4.269 3.623 585 HA GLU 76 HA GLU 76 -29.813 -4.577 3.750 586 1HB GLU 76 HB2 GLU 76 -30.896 -3.764 5.536 587 2HB GLU 76 HB3 GLU 76 -29.236 -3.512 5.974 588 1HG GLU 76 HG2 GLU 76 -29.435 -1.106 5.447 589 2HG GLU 76 HG3 GLU 76 -31.073 -1.361 4.820 590 H GLU 77 H GLU 77 -29.144 -1.523 2.270 591 HA GLU 77 HA GLU 77 -31.871 -0.880 1.438 592 1HB GLU 77 HB2 GLU 77 -29.220 -0.127 0.139 593 2HB GLU 77 HB3 GLU 77 -30.806 0.520 -0.295 594 1HG GLU 77 HG2 GLU 77 -31.030 1.329 2.108 595 2HG GLU 77 HG3 GLU 77 -29.345 0.867 2.353 596 H SER 78 H SER 78 -29.286 -2.846 0.206 597 HA SER 78 HA SER 78 -31.159 -4.443 -1.302 598 1HB SER 78 HB2 SER 78 -29.607 -4.118 -3.473 599 2HB SER 78 HB3 SER 78 -30.903 -2.988 -3.107 600 HG SER 78 HG SER 78 -28.333 -2.492 -2.072 601 H PHE 79 H PHE 79 -28.643 -4.550 0.674 602 HA PHE 79 HA PHE 79 -26.751 -6.329 -0.469 603 1HB PHE 79 HB2 PHE 79 -26.471 -4.867 1.531 604 2HB PHE 79 HB3 PHE 79 -27.482 -5.983 2.450 605 HD1 PHE 79 HD1 PHE 79 -24.257 -5.589 0.625 606 HD2 PHE 79 HD2 PHE 79 -26.544 -8.028 3.348 607 HE1 PHE 79 HE1 PHE 79 -22.217 -6.893 1.162 608 HE2 PHE 79 HE2 PHE 79 -24.498 -9.334 3.883 609 HZ PHE 79 HZ PHE 79 -22.339 -8.776 2.780 Start of MODEL 14 1 1H GLY 1 H1 GLY 1 29.638 -8.708 3.395 2 2H GLY 1 H2 GLY 1 29.091 -8.353 1.892 3 3H GLY 1 H3 GLY 1 28.655 -9.756 2.612 4 1HA GLY 1 HA2 GLY 1 27.883 -7.044 3.500 5 2HA GLY 1 HA3 GLY 1 26.812 -8.208 2.694 6 H SER 2 H SER 2 25.591 -7.593 4.722 7 HA SER 2 HA SER 2 25.878 -9.785 6.681 8 1HB SER 2 HB2 SER 2 27.326 -7.966 7.575 9 2HB SER 2 HB3 SER 2 25.931 -6.880 7.601 10 HG SER 2 HG SER 2 26.354 -7.893 9.633 11 H HIS 3 H HIS 3 23.988 -6.805 5.883 12 HA HIS 3 HA HIS 3 21.474 -8.281 6.459 13 1HB HIS 3 HB2 HIS 3 22.349 -7.012 8.466 14 2HB HIS 3 HB3 HIS 3 22.115 -5.523 7.561 15 HD2 HIS 3 HD2 HIS 3 19.958 -4.382 8.408 16 HE1 HIS 3 HE1 HIS 3 17.490 -7.800 9.058 17 HE2 HIS 3 HE2 HIS 3 17.581 -5.259 9.160 18 H MET 4 H MET 4 22.591 -7.622 3.908 19 HA MET 4 HA MET 4 20.288 -6.230 2.720 20 1HB MET 4 HB2 MET 4 21.595 -4.699 1.352 21 2HB MET 4 HB3 MET 4 21.872 -4.379 3.068 22 1HG MET 4 HG2 MET 4 24.024 -5.679 2.909 23 2HG MET 4 HG3 MET 4 23.736 -5.861 1.170 24 1HE MET 4 HE1 MET 4 26.465 -4.773 2.263 25 2HE MET 4 HE2 MET 4 26.055 -4.913 0.536 26 3HE MET 4 HE3 MET 4 26.738 -3.400 1.170 27 H LEU 5 H LEU 5 19.977 -6.651 0.470 28 HA LEU 5 HA LEU 5 20.728 -9.377 -0.195 29 1HB LEU 5 HB2 LEU 5 19.154 -7.345 -1.830 30 2HB LEU 5 HB3 LEU 5 19.346 -9.049 -2.175 31 HG LEU 5 HG LEU 5 18.278 -9.426 0.206 32 1HD1 LEU 5 1HD1 LEU 5 16.526 -7.715 0.709 33 2HD1 LEU 5 2HD1 LEU 5 18.143 -7.113 1.011 34 3HD1 LEU 5 3HD1 LEU 5 17.280 -6.619 -0.470 35 1HD2 LEU 5 1HD2 LEU 5 16.677 -8.405 -2.173 36 2HD2 LEU 5 2HD2 LEU 5 17.251 -10.069 -1.933 37 3HD2 LEU 5 3HD2 LEU 5 16.037 -9.389 -0.836 38 H LEU 6 H LEU 6 21.347 -6.235 -1.743 39 HA LEU 6 HA LEU 6 24.028 -7.105 -2.635 40 1HB LEU 6 HB2 LEU 6 22.421 -7.639 -4.464 41 2HB LEU 6 HB3 LEU 6 21.876 -5.965 -4.473 42 HG LEU 6 HG LEU 6 24.130 -5.228 -5.234 43 1HD1 LEU 6 1HD1 LEU 6 25.538 -7.030 -4.305 44 2HD1 LEU 6 2HD1 LEU 6 24.731 -8.216 -5.358 45 3HD1 LEU 6 3HD1 LEU 6 25.740 -6.928 -6.054 46 1HD2 LEU 6 1HD2 LEU 6 22.874 -7.437 -6.915 47 2HD2 LEU 6 2HD2 LEU 6 22.359 -5.738 -6.857 48 3HD2 LEU 6 3HD2 LEU 6 23.959 -6.158 -7.502 49 H GLU 7 H GLU 7 21.725 -4.467 -2.045 50 HA GLU 7 HA GLU 7 23.939 -2.558 -1.461 51 1HB GLU 7 HB2 GLU 7 23.173 -2.287 -3.847 52 2HB GLU 7 HB3 GLU 7 21.559 -1.897 -3.245 53 1HG GLU 7 HG2 GLU 7 22.427 0.117 -2.141 54 2HG GLU 7 HG3 GLU 7 24.092 -0.354 -2.531 55 H PHE 8 H PHE 8 23.428 -0.978 0.028 56 HA PHE 8 HA PHE 8 21.774 -1.751 2.101 57 1HB PHE 8 HB2 PHE 8 22.324 0.337 3.172 58 2HB PHE 8 HB3 PHE 8 23.720 -0.290 2.318 59 HD1 PHE 8 HD1 PHE 8 24.605 0.858 0.296 60 HD2 PHE 8 HD2 PHE 8 21.218 2.419 2.470 61 HE1 PHE 8 HE1 PHE 8 24.840 3.033 -0.884 62 HE2 PHE 8 HE2 PHE 8 21.474 4.594 1.291 63 HZ PHE 8 HZ PHE 8 23.283 4.902 -0.381 64 H LYS 9 H LYS 9 20.845 0.400 -0.525 65 HA LYS 9 HA LYS 9 18.559 1.651 0.557 66 1HB LYS 9 HB2 LYS 9 19.179 0.939 -2.329 67 2HB LYS 9 HB3 LYS 9 17.957 2.095 -1.767 68 1HG LYS 9 HG2 LYS 9 19.732 3.475 -0.706 69 2HG LYS 9 HG3 LYS 9 20.966 2.371 -1.348 70 1HD LYS 9 HD2 LYS 9 20.153 2.859 -3.671 71 2HD LYS 9 HD3 LYS 9 18.994 4.027 -2.989 72 1HE LYS 9 HE2 LYS 9 20.861 5.326 -2.019 73 2HE LYS 9 HE3 LYS 9 22.030 4.169 -2.663 74 1HZ LYS 9 HZ1 LYS 9 21.323 4.771 -4.878 75 2HZ LYS 9 HZ2 LYS 9 20.206 5.818 -4.300 76 3HZ LYS 9 HZ3 LYS 9 21.798 6.112 -4.069 77 H GLN 10 H GLN 10 18.843 -1.586 -0.643 78 HA GLN 10 HA GLN 10 16.189 -1.943 -1.691 79 1HB GLN 10 HB2 GLN 10 18.136 -4.114 -0.842 80 2HB GLN 10 HB3 GLN 10 16.802 -4.298 -1.993 81 1HG GLN 10 HG2 GLN 10 17.950 -2.696 -3.539 82 2HG GLN 10 HG3 GLN 10 19.237 -2.573 -2.322 83 1HE2 GLN 10 2HE2 GLN 10 18.542 -4.076 -5.178 84 2HE2 GLN 10 1HE2 GLN 10 19.669 -5.421 -4.961 85 H PHE 11 H PHE 11 17.400 -2.073 1.504 86 HA PHE 11 HA PHE 11 15.643 -3.920 2.515 87 1HB PHE 11 HB2 PHE 11 15.866 -3.013 4.681 88 2HB PHE 11 HB3 PHE 11 17.429 -2.862 3.868 89 HD1 PHE 11 HD2 PHE 11 17.070 -0.297 2.359 90 HD2 PHE 11 HD1 PHE 11 15.919 -1.342 6.372 91 HE1 PHE 11 HE2 PHE 11 17.293 2.024 2.975 92 HE2 PHE 11 HE1 PHE 11 16.157 1.036 7.034 93 HZ PHE 11 HZ PHE 11 16.869 2.734 5.369 94 H LEU 12 H LEU 12 15.027 -0.680 1.323 95 HA LEU 12 HA LEU 12 12.329 -0.457 2.393 96 1HB LEU 12 HB2 LEU 12 14.153 1.300 0.911 97 2HB LEU 12 HB3 LEU 12 12.476 1.315 0.353 98 HG LEU 12 HG LEU 12 11.787 1.508 2.861 99 1HD1 LEU 12 1HD1 LEU 12 14.649 2.525 3.050 100 2HD1 LEU 12 2HD1 LEU 12 13.404 2.571 4.321 101 3HD1 LEU 12 3HD1 LEU 12 14.081 1.010 3.782 102 1HD2 LEU 12 1HD2 LEU 12 11.508 3.154 1.201 103 2HD2 LEU 12 2HD2 LEU 12 12.030 3.921 2.721 104 3HD2 LEU 12 3HD2 LEU 12 13.201 3.702 1.371 105 H TYR 13 H TYR 13 13.901 -1.281 -0.638 106 HA TYR 13 HA TYR 13 11.472 -1.536 -2.120 107 1HB TYR 13 HB2 TYR 13 14.247 -2.532 -2.780 108 2HB TYR 13 HB3 TYR 13 12.974 -2.133 -3.908 109 HD1 TYR 13 HD2 TYR 13 12.121 0.477 -2.171 110 HD2 TYR 13 HD1 TYR 13 15.817 -0.963 -3.895 111 HE1 TYR 13 HE2 TYR 13 13.123 2.650 -1.794 112 HE2 TYR 13 HE1 TYR 13 16.751 1.331 -3.735 113 HH TYR 13 HH TYR 13 16.430 3.471 -2.981 114 H GLU 14 H GLU 14 13.216 -3.881 -0.256 115 HA GLU 14 HA GLU 14 11.531 -6.192 -0.808 116 1HB GLU 14 HB2 GLU 14 13.781 -6.265 0.260 117 2HB GLU 14 HB3 GLU 14 13.122 -5.469 1.685 118 1HG GLU 14 HG2 GLU 14 11.656 -7.403 2.116 119 2HG GLU 14 HG3 GLU 14 12.173 -8.145 0.586 120 H ALA 15 H ALA 15 11.048 -3.272 0.989 121 HA ALA 15 HA ALA 15 8.944 -4.367 2.784 122 1HB ALA 15 HB1 ALA 15 10.807 -2.795 3.565 123 2HB ALA 15 HB2 ALA 15 10.036 -1.540 2.552 124 3HB ALA 15 HB3 ALA 15 9.134 -2.253 3.894 125 H SER 16 H SER 16 9.381 -2.275 0.075 126 HA SER 16 HA SER 16 7.519 -0.365 0.208 127 1HB SER 16 HB2 SER 16 9.360 -0.454 -1.319 128 2HB SER 16 HB3 SER 16 8.748 -1.919 -2.103 129 HG SER 16 HG SER 16 8.120 0.765 -2.635 130 H ILE 17 H ILE 17 6.944 -3.591 -0.876 131 HA ILE 17 HA ILE 17 4.113 -3.155 -1.696 132 HB ILE 17 HB ILE 17 6.579 -3.012 -3.179 133 1HG1 ILE 17 2HG1 ILE 17 5.311 -2.536 -5.124 134 2HG1 ILE 17 3HG1 ILE 17 3.856 -3.280 -4.526 135 1HG2 ILE 17 1HG2 ILE 17 6.565 -4.621 -4.893 136 2HG2 ILE 17 2HG2 ILE 17 6.668 -5.455 -3.336 137 3HG2 ILE 17 3HG2 ILE 17 5.136 -5.443 -4.256 138 1HD1 ILE 17 1HD1 ILE 17 3.556 -1.488 -2.870 139 2HD1 ILE 17 2HD1 ILE 17 5.164 -0.843 -3.280 140 3HD1 ILE 17 3HD1 ILE 17 3.852 -0.759 -4.426 141 H ASP 18 H ASP 18 5.892 -5.007 0.259 142 HA ASP 18 HA ASP 18 5.424 -7.682 -0.858 143 1HB ASP 18 HB2 ASP 18 7.518 -7.070 0.190 144 2HB ASP 18 HB3 ASP 18 6.693 -6.755 1.728 145 H GLU 19 H GLU 19 3.890 -5.702 1.525 146 HA GLU 19 HA GLU 19 1.843 -7.855 1.981 147 1HB GLU 19 HB2 GLU 19 1.533 -7.225 4.284 148 2HB GLU 19 HB3 GLU 19 3.185 -7.765 3.986 149 1HG GLU 19 HG2 GLU 19 3.971 -5.400 3.973 150 2HG GLU 19 HG3 GLU 19 2.309 -4.856 4.284 151 H PHE 20 H PHE 20 2.398 -4.352 1.812 152 HA PHE 20 HA PHE 20 -0.209 -3.376 2.189 153 1HB PHE 20 HB2 PHE 20 2.263 -2.355 1.714 154 2HB PHE 20 HB3 PHE 20 1.707 -2.273 0.049 155 HD1 PHE 20 HD2 PHE 20 -1.205 -1.370 0.507 156 HD2 PHE 20 HD1 PHE 20 2.572 -0.111 2.186 157 HE1 PHE 20 HE2 PHE 20 -2.129 0.868 0.893 158 HE2 PHE 20 HE1 PHE 20 1.631 2.139 2.575 159 HZ PHE 20 HZ PHE 20 -0.718 2.621 1.971 160 H MET 21 H MET 21 1.279 -4.361 -0.884 161 HA MET 21 HA MET 21 -0.872 -3.903 -2.688 162 1HB MET 21 HB2 MET 21 1.496 -5.793 -2.535 163 2HB MET 21 HB3 MET 21 0.319 -6.053 -3.807 164 1HG MET 21 HG2 MET 21 1.665 -3.352 -3.311 165 2HG MET 21 HG3 MET 21 2.293 -4.635 -4.383 166 1HE MET 21 HE1 MET 21 -0.984 -4.731 -6.910 167 2HE MET 21 HE2 MET 21 0.067 -5.829 -6.015 168 3HE MET 21 HE3 MET 21 -1.396 -5.108 -5.251 169 H GLY 22 H GLY 22 -0.239 -6.492 -0.448 170 1HA GLY 22 HA2 GLY 22 -2.412 -8.230 -1.312 171 2HA GLY 22 HA3 GLY 22 -1.374 -8.448 0.130 172 H LYS 23 H LYS 23 -2.021 -5.481 0.913 173 HA LYS 23 HA LYS 23 -4.077 -6.308 2.689 174 1HB LYS 23 HB2 LYS 23 -3.192 -4.947 4.136 175 2HB LYS 23 HB3 LYS 23 -1.799 -5.035 3.108 176 1HG LYS 23 HG2 LYS 23 -2.436 -2.983 2.044 177 2HG LYS 23 HG3 LYS 23 -3.839 -2.891 3.016 178 1HD LYS 23 HD2 LYS 23 -1.091 -3.117 4.226 179 2HD LYS 23 HD3 LYS 23 -1.814 -1.517 3.880 180 1HE LYS 23 HE2 LYS 23 -3.662 -2.038 5.426 181 2HE LYS 23 HE3 LYS 23 -3.038 -3.694 5.570 182 1HZ LYS 23 HZ1 LYS 23 -1.086 -2.804 6.684 183 2HZ LYS 23 HZ2 LYS 23 -1.655 -1.263 6.573 184 3HZ LYS 23 HZ3 LYS 23 -2.442 -2.363 7.481 185 H ILE 24 H ILE 24 -3.391 -4.057 0.045 186 HA ILE 24 HA ILE 24 -6.104 -3.107 -0.191 187 HB ILE 24 HB ILE 24 -5.111 -2.566 -2.544 188 1HG1 ILE 24 2HG1 ILE 24 -2.557 -1.875 -1.303 189 2HG1 ILE 24 3HG1 ILE 24 -2.809 -3.483 -1.988 190 1HG2 ILE 24 1HG2 ILE 24 -5.901 -1.057 -0.558 191 2HG2 ILE 24 2HG2 ILE 24 -4.227 -1.070 -0.011 192 3HG2 ILE 24 3HG2 ILE 24 -4.645 -0.383 -1.586 193 1HD1 ILE 24 1HD1 ILE 24 -3.361 -2.968 -3.982 194 2HD1 ILE 24 2HD1 ILE 24 -3.404 -1.242 -3.599 195 3HD1 ILE 24 3HD1 ILE 24 -1.839 -2.110 -3.555 196 H ALA 25 H ALA 25 -4.244 -5.643 -1.938 197 HA ALA 25 HA ALA 25 -6.390 -6.287 -3.679 198 1HB ALA 25 HB1 ALA 25 -4.133 -7.084 -4.138 199 2HB ALA 25 HB2 ALA 25 -4.189 -8.122 -2.682 200 3HB ALA 25 HB3 ALA 25 -5.259 -8.434 -4.051 201 H SER 26 H SER 26 -5.909 -6.991 -0.339 202 HA SER 26 HA SER 26 -8.118 -8.901 -0.196 203 1HB SER 26 HB2 SER 26 -6.038 -9.568 0.891 204 2HB SER 26 HB3 SER 26 -6.056 -8.075 1.863 205 HG SER 26 HG SER 26 -8.177 -8.782 2.542 206 H CYS 27 H CYS 27 -8.330 -5.693 -0.429 207 HA CYS 27 HA CYS 27 -8.810 -4.879 2.165 208 1HB CYS 27 HB2 CYS 27 -9.498 -2.828 1.214 209 2HB CYS 27 HB3 CYS 27 -8.113 -3.438 0.296 210 HG CYS 27 HG CYS 27 -8.996 -4.067 -1.761 211 H GLN 28 H GLN 28 -10.885 -6.302 -0.173 212 HA GLN 28 HA GLN 28 -12.961 -7.101 -0.415 213 1HB GLN 28 HB2 GLN 28 -13.011 -6.858 2.606 214 2HB GLN 28 HB3 GLN 28 -14.177 -7.799 1.685 215 1HG GLN 28 HG2 GLN 28 -12.652 -9.477 1.169 216 2HG GLN 28 HG3 GLN 28 -11.253 -8.426 1.377 217 1HE2 GLN 28 1HE2 GLN 28 -10.481 -7.922 3.468 218 2HE2 GLN 28 2HE2 GLN 28 -11.063 -8.770 4.904 219 H THR 29 H THR 29 -12.718 -3.974 0.554 220 HA THR 29 HA THR 29 -15.562 -3.219 0.146 221 HB THR 29 HB THR 29 -15.332 -1.787 2.254 222 HG1 THR 29 HG1 THR 29 -13.166 -3.551 2.678 223 1HG2 THR 29 1HG2 THR 29 -16.827 -3.819 2.200 224 2HG2 THR 29 2HG2 THR 29 -15.481 -4.786 2.847 225 3HG2 THR 29 3HG2 THR 29 -16.174 -3.460 3.808 226 H LEU 30 H LEU 30 -15.685 -1.048 -0.538 227 HA LEU 30 HA LEU 30 -13.092 -0.001 -1.497 228 1HB LEU 30 HB2 LEU 30 -15.459 0.414 -2.652 229 2HB LEU 30 HB3 LEU 30 -15.640 1.559 -1.364 230 HG LEU 30 HG LEU 30 -12.929 1.951 -2.134 231 1HD1 LEU 30 1HD1 LEU 30 -14.430 1.249 -4.478 232 2HD1 LEU 30 2HD1 LEU 30 -13.178 2.460 -4.521 233 3HD1 LEU 30 3HD1 LEU 30 -12.784 0.871 -3.925 234 1HD2 LEU 30 1HD2 LEU 30 -14.463 3.537 -1.446 235 2HD2 LEU 30 2HD2 LEU 30 -13.577 3.970 -2.996 236 3HD2 LEU 30 3HD2 LEU 30 -15.300 3.377 -3.071 237 H GLU 31 H GLU 31 -15.511 0.476 0.915 238 HA GLU 31 HA GLU 31 -14.693 2.886 1.957 239 1HB GLU 31 HB2 GLU 31 -16.811 1.307 2.094 240 2HB GLU 31 HB3 GLU 31 -15.980 0.507 3.443 241 1HG GLU 31 HG2 GLU 31 -15.735 2.598 4.476 242 2HG GLU 31 HG3 GLU 31 -16.735 3.460 3.293 243 H GLY 32 H GLY 32 -13.701 -0.374 2.618 244 1HA GLY 32 HA2 GLY 32 -11.720 0.432 4.569 245 2HA GLY 32 HA3 GLY 32 -11.875 -1.220 3.893 246 H LEU 33 H LEU 33 -11.559 -0.339 1.107 247 HA LEU 33 HA LEU 33 -8.733 -0.131 0.842 248 1HB LEU 33 HB2 LEU 33 -10.509 -0.858 -0.816 249 2HB LEU 33 HB3 LEU 33 -11.159 0.672 -0.924 250 HG LEU 33 HG LEU 33 -9.340 1.638 -2.153 251 1HD1 LEU 33 1HD1 LEU 33 -7.392 0.300 -2.811 252 2HD1 LEU 33 2HD1 LEU 33 -7.389 0.771 -1.104 253 3HD1 LEU 33 3HD1 LEU 33 -7.828 -0.907 -1.571 254 1HD2 LEU 33 1HD2 LEU 33 -9.633 -1.197 -3.115 255 2HD2 LEU 33 2HD2 LEU 33 -10.886 0.076 -3.296 256 3HD2 LEU 33 3HD2 LEU 33 -9.301 0.266 -4.059 257 H GLU 34 H GLU 34 -11.160 2.255 0.732 258 HA GLU 34 HA GLU 34 -9.749 4.659 0.418 259 1HB GLU 34 HB2 GLU 34 -12.319 3.749 1.550 260 2HB GLU 34 HB3 GLU 34 -11.887 5.471 1.767 261 1HG GLU 34 HG2 GLU 34 -12.000 4.046 -0.958 262 2HG GLU 34 HG3 GLU 34 -13.293 4.957 -0.174 263 H GLU 35 H GLU 35 -10.389 2.716 3.261 264 HA GLU 35 HA GLU 35 -9.236 4.586 5.275 265 1HB GLU 35 HB2 GLU 35 -9.966 1.645 5.587 266 2HB GLU 35 HB3 GLU 35 -9.271 2.642 6.842 267 1HG GLU 35 HG2 GLU 35 -11.727 3.668 5.506 268 2HG GLU 35 HG3 GLU 35 -11.902 2.243 6.558 269 H LEU 36 H LEU 36 -8.298 1.622 3.604 270 HA LEU 36 HA LEU 36 -5.622 1.534 4.367 271 1HB LEU 36 HB2 LEU 36 -6.607 0.681 1.651 272 2HB LEU 36 HB3 LEU 36 -5.082 0.283 2.373 273 HG LEU 36 HG LEU 36 -7.737 -0.573 3.550 274 1HD1 LEU 36 1HD1 LEU 36 -7.291 -1.587 1.297 275 2HD1 LEU 36 2HD1 LEU 36 -5.702 -2.091 1.890 276 3HD1 LEU 36 3HD1 LEU 36 -7.185 -2.759 2.606 277 1HD2 LEU 36 1HD2 LEU 36 -6.208 -2.187 4.654 278 2HD2 LEU 36 2HD2 LEU 36 -4.878 -1.156 4.032 279 3HD2 LEU 36 3HD2 LEU 36 -6.081 -0.467 5.157 280 H GLU 37 H GLU 37 -7.190 3.357 1.684 281 HA GLU 37 HA GLU 37 -5.014 4.538 0.728 282 1HB GLU 37 HB2 GLU 37 -7.351 4.478 -0.141 283 2HB GLU 37 HB3 GLU 37 -7.706 5.945 0.683 284 1HG GLU 37 HG2 GLU 37 -5.332 5.546 -1.155 285 2HG GLU 37 HG3 GLU 37 -6.916 5.909 -1.877 286 H ALA 38 H ALA 38 -7.273 5.680 3.217 287 HA ALA 38 HA ALA 38 -5.910 8.069 3.738 288 1HB ALA 38 HB1 ALA 38 -8.153 7.581 4.700 289 2HB ALA 38 HB2 ALA 38 -7.437 6.327 5.744 290 3HB ALA 38 HB3 ALA 38 -6.996 8.025 5.985 291 H TYR 39 H TYR 39 -5.487 4.752 5.131 292 HA TYR 39 HA TYR 39 -3.434 5.355 6.874 293 1HB TYR 39 HB2 TYR 39 -4.196 3.289 7.350 294 2HB TYR 39 HB3 TYR 39 -4.527 2.913 5.664 295 HD1 TYR 39 HD2 TYR 39 -1.691 3.062 8.129 296 HD2 TYR 39 HD1 TYR 39 -3.124 1.648 4.304 297 HE1 TYR 39 HE2 TYR 39 0.446 1.832 7.752 298 HE2 TYR 39 HE1 TYR 39 -1.013 0.525 3.914 299 HH TYR 39 HH TYR 39 1.088 0.064 4.712 300 H TYR 40 H TYR 40 -3.203 4.593 3.358 301 HA TYR 40 HA TYR 40 -0.396 4.615 2.975 302 1HB TYR 40 HB2 TYR 40 -2.120 4.063 1.244 303 2HB TYR 40 HB3 TYR 40 -2.713 5.702 1.274 304 HD1 TYR 40 HD2 TYR 40 -1.598 7.539 0.252 305 HD2 TYR 40 HD1 TYR 40 0.018 3.560 0.011 306 HE1 TYR 40 HE2 TYR 40 -0.339 8.177 -1.751 307 HE2 TYR 40 HE1 TYR 40 1.342 4.225 -1.931 308 HH TYR 40 HH TYR 40 1.541 5.796 -3.610 309 H LYS 41 H LYS 41 -2.760 7.362 2.762 310 HA LYS 41 HA LYS 41 -0.872 9.427 2.495 311 1HB LYS 41 HB2 LYS 41 -3.569 9.553 3.769 312 2HB LYS 41 HB3 LYS 41 -2.606 10.933 3.236 313 1HG LYS 41 HG2 LYS 41 -3.013 8.762 1.173 314 2HG LYS 41 HG3 LYS 41 -4.414 9.565 1.732 315 1HD LYS 41 HD2 LYS 41 -3.759 10.807 -0.134 316 2HD LYS 41 HD3 LYS 41 -3.139 11.801 1.198 317 1HE LYS 41 HE2 LYS 41 -1.050 10.202 0.852 318 2HE LYS 41 HE3 LYS 41 -1.723 9.955 -0.749 319 1HZ LYS 41 HZ1 LYS 41 -1.666 12.371 -1.097 320 2HZ LYS 41 HZ2 LYS 41 -0.979 12.601 0.371 321 3HZ LYS 41 HZ3 LYS 41 -0.171 11.785 -0.806 322 H LYS 42 H LYS 42 -2.133 7.938 5.520 323 HA LYS 42 HA LYS 42 -1.198 9.718 7.464 324 1HB LYS 42 HB2 LYS 42 -2.141 6.861 7.241 325 2HB LYS 42 HB3 LYS 42 -1.771 7.493 8.755 326 1HG LYS 42 HG2 LYS 42 -3.762 8.889 6.960 327 2HG LYS 42 HG3 LYS 42 -4.223 7.544 8.026 328 1HD LYS 42 HD2 LYS 42 -3.654 8.876 9.979 329 2HD LYS 42 HD3 LYS 42 -3.018 10.173 8.924 330 1HE LYS 42 HE2 LYS 42 -5.309 10.118 7.744 331 2HE LYS 42 HE3 LYS 42 -5.875 9.119 9.091 332 1HZ LYS 42 HZ1 LYS 42 -4.807 11.866 9.345 333 2HZ LYS 42 HZ2 LYS 42 -6.389 11.416 9.474 334 3HZ LYS 42 HZ3 LYS 42 -5.296 10.927 10.601 335 H ARG 43 H ARG 43 0.346 6.816 5.931 336 HA ARG 43 HA ARG 43 2.719 7.094 7.639 337 1HB ARG 43 HB2 ARG 43 2.058 4.922 6.535 338 2HB ARG 43 HB3 ARG 43 2.460 5.656 4.968 339 1HG ARG 43 HG2 ARG 43 4.788 6.143 5.927 340 2HG ARG 43 HG3 ARG 43 4.358 5.163 7.319 341 1HD ARG 43 HD2 ARG 43 4.349 4.187 4.430 342 2HD ARG 43 HD3 ARG 43 5.660 3.918 5.576 343 HE ARG 43 HE ARG 43 3.035 2.570 5.491 344 1HH1 ARG 43 1HH1 ARG 43 5.886 3.084 7.508 345 2HH1 ARG 43 2HH1 ARG 43 5.569 1.656 8.448 346 1HH2 ARG 43 1HH2 ARG 43 2.714 0.760 6.744 347 2HH2 ARG 43 2HH2 ARG 43 3.843 0.390 8.030 348 H VAL 44 H VAL 44 1.874 8.175 4.315 349 HA VAL 44 HA VAL 44 4.425 8.806 3.583 350 HB VAL 44 HB VAL 44 1.613 9.606 2.736 351 1HG1 VAL 44 1HG1 VAL 44 4.178 10.198 1.259 352 2HG1 VAL 44 2HG1 VAL 44 2.531 10.204 0.544 353 3HG1 VAL 44 3HG1 VAL 44 2.945 11.368 1.823 354 1HG2 VAL 44 1HG2 VAL 44 3.821 7.765 1.832 355 2HG2 VAL 44 2HG2 VAL 44 2.403 7.254 2.644 356 3HG2 VAL 44 3HG2 VAL 44 2.234 7.905 0.996 357 H LYS 45 H LYS 45 2.244 10.831 5.346 358 HA LYS 45 HA LYS 45 3.690 13.237 5.223 359 1HB LYS 45 HB2 LYS 45 2.274 13.814 7.194 360 2HB LYS 45 HB3 LYS 45 1.364 12.787 6.025 361 1HG LYS 45 HG2 LYS 45 2.078 10.841 7.462 362 2HG LYS 45 HG3 LYS 45 2.771 12.070 8.556 363 1HD LYS 45 HD2 LYS 45 0.471 13.052 8.886 364 2HD LYS 45 HD3 LYS 45 -0.170 11.575 8.093 365 1HE LYS 45 HE2 LYS 45 1.624 10.390 9.560 366 2HE LYS 45 HE3 LYS 45 1.630 11.855 10.551 367 1HZ LYS 45 HZ1 LYS 45 -0.747 11.557 10.947 368 2HZ LYS 45 HZ2 LYS 45 -0.727 10.125 10.125 369 3HZ LYS 45 HZ3 LYS 45 0.132 10.292 11.507 370 H GLU 46 H GLU 46 4.140 10.375 7.040 371 HA GLU 46 HA GLU 46 5.666 11.313 9.375 372 1HB GLU 46 HB2 GLU 46 3.659 9.730 9.274 373 2HB GLU 46 HB3 GLU 46 4.867 8.546 8.748 374 1HG GLU 46 HG2 GLU 46 4.434 8.469 11.111 375 2HG GLU 46 HG3 GLU 46 6.112 8.811 10.732 376 H THR 47 H THR 47 6.164 10.089 6.335 377 HA THR 47 HA THR 47 9.046 10.130 6.641 378 HB THR 47 HB THR 47 8.837 7.810 7.088 379 HG1 THR 47 HG1 THR 47 9.976 6.929 5.535 380 1HG2 THR 47 1HG2 THR 47 7.710 6.207 5.529 381 2HG2 THR 47 2HG2 THR 47 6.643 7.278 6.462 382 3HG2 THR 47 3HG2 THR 47 6.940 7.616 4.740 383 H GLU 48 H GLU 48 8.841 8.817 3.714 384 HA GLU 48 HA GLU 48 8.056 11.372 2.433 385 1HB GLU 48 HB2 GLU 48 10.335 9.688 1.554 386 2HB GLU 48 HB3 GLU 48 9.906 11.336 1.056 387 1HG GLU 48 HG2 GLU 48 10.280 12.089 3.396 388 2HG GLU 48 HG3 GLU 48 10.870 10.487 3.785 389 H LEU 49 H LEU 49 7.840 8.137 2.379 390 HA LEU 49 HA LEU 49 7.908 6.411 1.024 391 1HB LEU 49 HB2 LEU 49 6.183 5.700 0.034 392 2HB LEU 49 HB3 LEU 49 5.620 6.696 1.323 393 HG LEU 49 HG LEU 49 4.414 8.074 -0.087 394 1HD1 LEU 49 1HD1 LEU 49 4.638 8.538 -2.351 395 2HD1 LEU 49 2HD1 LEU 49 6.041 9.081 -1.451 396 3HD1 LEU 49 3HD1 LEU 49 6.156 7.613 -2.461 397 1HD2 LEU 49 1HD2 LEU 49 3.786 5.706 -0.275 398 2HD2 LEU 49 2HD2 LEU 49 3.380 6.611 -1.752 399 3HD2 LEU 49 3HD2 LEU 49 4.824 5.576 -1.700 400 H LYS 50 H LYS 50 8.411 5.302 -0.818 401 HA LYS 50 HA LYS 50 10.117 6.746 -2.691 402 1HB LYS 50 HB2 LYS 50 10.037 4.222 -1.584 403 2HB LYS 50 HB3 LYS 50 9.190 3.972 -3.081 404 1HG LYS 50 HG2 LYS 50 11.360 3.405 -3.263 405 2HG LYS 50 HG3 LYS 50 11.098 4.758 -4.370 406 1HD LYS 50 HD2 LYS 50 13.314 4.741 -3.003 407 2HD LYS 50 HD3 LYS 50 12.376 6.195 -3.236 408 1HE LYS 50 HE2 LYS 50 11.241 5.673 -0.969 409 2HE LYS 50 HE3 LYS 50 12.530 4.475 -0.728 410 1HZ LYS 50 HZ1 LYS 50 12.992 7.371 -1.137 411 2HZ LYS 50 HZ2 LYS 50 13.124 6.588 0.292 412 3HZ LYS 50 HZ3 LYS 50 14.157 6.246 -0.940 413 H ASP 51 H ASP 51 9.753 6.770 -4.942 414 HA ASP 51 HA ASP 51 7.050 6.924 -6.019 415 1HB ASP 51 HB2 ASP 51 9.718 6.446 -7.400 416 2HB ASP 51 HB3 ASP 51 8.178 6.752 -8.225 417 H THR 52 H THR 52 9.516 4.453 -5.776 418 HA THR 52 HA THR 52 8.496 2.287 -7.225 419 HB THR 52 HB THR 52 10.061 2.907 -4.777 420 HG1 THR 52 HG1 THR 52 11.896 2.450 -6.122 421 1HG2 THR 52 1HG2 THR 52 11.401 0.948 -4.687 422 2HG2 THR 52 2HG2 THR 52 9.732 0.697 -4.200 423 3HG2 THR 52 3HG2 THR 52 10.273 0.109 -5.812 424 H ASP 53 H ASP 53 7.831 3.311 -3.839 425 HA ASP 53 HA ASP 53 5.970 1.052 -3.376 426 1HB ASP 53 HB2 ASP 53 5.671 3.466 -1.653 427 2HB ASP 53 HB3 ASP 53 5.712 1.760 -1.224 428 H ASP 54 H ASP 54 5.897 4.490 -4.024 429 HA ASP 54 HA ASP 54 3.173 4.857 -3.504 430 1HB ASP 54 HB2 ASP 54 4.965 6.580 -3.911 431 2HB ASP 54 HB3 ASP 54 4.998 6.203 -5.571 432 H ILE 55 H ILE 55 4.790 4.124 -6.588 433 HA ILE 55 HA ILE 55 2.320 4.617 -8.170 434 HB ILE 55 HB ILE 55 4.470 2.941 -9.410 435 1HG1 ILE 55 2HG1 ILE 55 5.090 5.747 -9.933 436 2HG1 ILE 55 3HG1 ILE 55 5.114 5.434 -8.226 437 1HG2 ILE 55 1HG2 ILE 55 3.839 4.199 -11.425 438 2HG2 ILE 55 2HG2 ILE 55 2.417 3.457 -10.677 439 3HG2 ILE 55 3HG2 ILE 55 2.712 5.197 -10.461 440 1HD1 ILE 55 1HD1 ILE 55 6.523 3.788 -10.402 441 2HD1 ILE 55 2HD1 ILE 55 7.311 4.831 -9.200 442 3HD1 ILE 55 3HD1 ILE 55 6.491 3.315 -8.697 443 H SER 56 H SER 56 4.102 1.916 -7.091 444 HA SER 56 HA SER 56 2.929 -0.087 -8.739 445 1HB SER 56 HB2 SER 56 4.898 0.205 -6.608 446 2HB SER 56 HB3 SER 56 4.035 -1.335 -6.466 447 HG SER 56 HG SER 56 5.914 -1.379 -7.860 448 H VAL 57 H VAL 57 2.432 0.897 -5.475 449 HA VAL 57 HA VAL 57 0.202 -0.847 -4.840 450 HB VAL 57 HB VAL 57 2.142 0.354 -3.372 451 1HG1 VAL 57 1HG1 VAL 57 -0.307 1.923 -2.814 452 2HG1 VAL 57 2HG1 VAL 57 1.231 1.867 -1.894 453 3HG1 VAL 57 3HG1 VAL 57 1.277 2.502 -3.553 454 1HG2 VAL 57 1HG2 VAL 57 -0.589 -0.380 -2.273 455 2HG2 VAL 57 2HG2 VAL 57 0.692 -1.549 -2.686 456 3HG2 VAL 57 3HG2 VAL 57 0.965 -0.345 -1.410 457 H ARG 58 H ARG 58 0.555 2.797 -5.531 458 HA ARG 58 HA ARG 58 -2.148 3.310 -5.350 459 1HB ARG 58 HB2 ARG 58 0.151 4.478 -6.899 460 2HB ARG 58 HB3 ARG 58 -1.365 4.898 -7.406 461 1HG ARG 58 HG2 ARG 58 -1.025 4.977 -4.452 462 2HG ARG 58 HG3 ARG 58 -0.100 6.205 -5.393 463 1HD ARG 58 HD2 ARG 58 -3.109 5.725 -5.615 464 2HD ARG 58 HD3 ARG 58 -2.326 6.907 -4.550 465 HE ARG 58 HE ARG 58 -1.283 7.450 -7.061 466 1HH1 ARG 58 2HH1 ARG 58 -4.534 7.527 -5.713 467 2HH1 ARG 58 1HH1 ARG 58 -5.046 8.764 -6.834 468 1HH2 ARG 58 1HH2 ARG 58 -2.008 9.024 -8.421 469 2HH2 ARG 58 2HH2 ARG 58 -3.650 9.616 -8.287 470 H ASP 59 H ASP 59 -0.417 1.971 -8.113 471 HA ASP 59 HA ASP 59 -2.650 2.166 -9.950 472 1HB ASP 59 HB2 ASP 59 -0.318 1.852 -10.577 473 2HB ASP 59 HB3 ASP 59 -0.323 0.216 -9.893 474 H ALA 60 H ALA 60 -1.953 -0.130 -7.490 475 HA ALA 60 HA ALA 60 -3.790 -2.230 -8.264 476 1HB ALA 60 HB1 ALA 60 -2.784 -3.311 -6.269 477 2HB ALA 60 HB2 ALA 60 -1.552 -2.761 -7.441 478 3HB ALA 60 HB3 ALA 60 -1.816 -1.830 -5.962 479 H LEU 61 H LEU 61 -3.267 0.078 -5.566 480 HA LEU 61 HA LEU 61 -5.563 -0.334 -4.124 481 1HB LEU 61 HB2 LEU 61 -3.340 0.794 -3.629 482 2HB LEU 61 HB3 LEU 61 -3.797 2.125 -4.634 483 HG LEU 61 HG LEU 61 -5.556 1.297 -2.443 484 1HD1 LEU 61 1HD1 LEU 61 -3.281 1.198 -1.509 485 2HD1 LEU 61 2HD1 LEU 61 -3.019 2.876 -2.025 486 3HD1 LEU 61 3HD1 LEU 61 -4.225 2.517 -0.755 487 1HD2 LEU 61 1HD2 LEU 61 -6.082 3.617 -2.133 488 2HD2 LEU 61 2HD2 LEU 61 -4.804 4.096 -3.292 489 3HD2 LEU 61 3HD2 LEU 61 -6.263 3.239 -3.829 490 H ALA 62 H ALA 62 -4.794 2.355 -6.414 491 HA ALA 62 HA ALA 62 -7.487 2.995 -6.840 492 1HB ALA 62 HB1 ALA 62 -5.298 3.466 -8.879 493 2HB ALA 62 HB2 ALA 62 -6.825 4.346 -8.721 494 3HB ALA 62 HB3 ALA 62 -5.592 4.510 -7.454 495 H GLY 63 H GLY 63 -5.667 0.446 -8.005 496 1HA GLY 63 HA2 GLY 63 -6.682 -0.516 -10.416 497 2HA GLY 63 HA3 GLY 63 -5.955 -1.410 -9.132 498 H LYS 64 H LYS 64 -7.231 -1.241 -6.998 499 HA LYS 64 HA LYS 64 -9.625 -2.823 -7.429 500 1HB LYS 64 HB2 LYS 64 -7.683 -3.315 -5.831 501 2HB LYS 64 HB3 LYS 64 -8.367 -2.081 -4.806 502 1HG LYS 64 HG2 LYS 64 -10.015 -3.460 -4.080 503 2HG LYS 64 HG3 LYS 64 -10.400 -4.034 -5.703 504 1HD LYS 64 HD2 LYS 64 -8.039 -4.971 -4.068 505 2HD LYS 64 HD3 LYS 64 -9.587 -5.798 -4.040 506 1HE LYS 64 HE2 LYS 64 -7.953 -5.377 -6.593 507 2HE LYS 64 HE3 LYS 64 -7.759 -6.783 -5.542 508 1HZ LYS 64 HZ1 LYS 64 -9.255 -7.233 -7.359 509 2HZ LYS 64 HZ2 LYS 64 -10.041 -7.377 -5.933 510 3HZ LYS 64 HZ3 LYS 64 -10.304 -6.066 -6.885 511 H ARG 65 H ARG 65 -8.959 0.441 -6.446 512 HA ARG 65 HA ARG 65 -11.284 1.024 -5.183 513 1HB ARG 65 HB2 ARG 65 -9.164 2.350 -5.662 514 2HB ARG 65 HB3 ARG 65 -10.020 3.027 -7.025 515 1HG ARG 65 HG2 ARG 65 -11.411 4.347 -5.582 516 2HG ARG 65 HG3 ARG 65 -11.346 3.144 -4.349 517 1HD ARG 65 HD2 ARG 65 -9.111 3.623 -3.727 518 2HD ARG 65 HD3 ARG 65 -8.793 4.495 -5.223 519 HE ARG 65 HE ARG 65 -10.052 5.567 -2.789 520 1HH1 ARG 65 1HH1 ARG 65 -9.668 6.236 -6.247 521 2HH1 ARG 65 2HH1 ARG 65 -10.004 7.929 -6.001 522 1HH2 ARG 65 1HH2 ARG 65 -10.514 7.581 -2.606 523 2HH2 ARG 65 2HH2 ARG 65 -10.503 8.703 -3.973 524 H ALA 66 H ALA 66 -10.686 1.108 -8.665 525 HA ALA 66 HA ALA 66 -13.285 2.134 -9.453 526 1HB ALA 66 HB1 ALA 66 -11.429 0.275 -10.972 527 2HB ALA 66 HB2 ALA 66 -12.830 1.152 -11.622 528 3HB ALA 66 HB3 ALA 66 -11.398 2.072 -11.029 529 H GLU 67 H GLU 67 -12.111 -1.085 -8.549 530 HA GLU 67 HA GLU 67 -14.170 -2.704 -9.789 531 1HB GLU 67 HB2 GLU 67 -12.418 -3.303 -7.415 532 2HB GLU 67 HB3 GLU 67 -13.265 -4.458 -8.433 533 1HG GLU 67 HG2 GLU 67 -11.011 -2.593 -9.386 534 2HG GLU 67 HG3 GLU 67 -10.881 -4.176 -8.681 535 H LEU 68 H LEU 68 -13.394 -1.177 -6.820 536 HA LEU 68 HA LEU 68 -15.310 -2.554 -5.136 537 1HB LEU 68 HB2 LEU 68 -12.977 -0.911 -4.814 538 2HB LEU 68 HB3 LEU 68 -14.191 -0.898 -3.508 539 HG LEU 68 HG LEU 68 -12.908 -3.392 -4.721 540 1HD1 LEU 68 1HD1 LEU 68 -12.590 -1.883 -2.189 541 2HD1 LEU 68 2HD1 LEU 68 -11.888 -3.484 -2.665 542 3HD1 LEU 68 3HD1 LEU 68 -11.518 -2.014 -3.622 543 1HD2 LEU 68 1HD2 LEU 68 -13.851 -4.332 -2.464 544 2HD2 LEU 68 2HD2 LEU 68 -14.666 -2.772 -2.269 545 3HD2 LEU 68 3HD2 LEU 68 -15.175 -3.900 -3.551 546 H GLU 69 H GLU 69 -14.913 0.484 -6.694 547 HA GLU 69 HA GLU 69 -17.097 1.952 -5.650 548 1HB GLU 69 HB2 GLU 69 -14.933 2.029 -7.739 549 2HB GLU 69 HB3 GLU 69 -16.243 2.778 -8.165 550 1HG GLU 69 HG2 GLU 69 -16.067 4.102 -5.816 551 2HG GLU 69 HG3 GLU 69 -14.495 3.365 -5.782 552 H ASP 70 H ASP 70 -16.542 -0.257 -8.270 553 HA ASP 70 HA ASP 70 -19.301 -0.199 -9.357 554 1HB ASP 70 HB2 ASP 70 -16.820 -1.565 -10.042 555 2HB ASP 70 HB3 ASP 70 -18.093 -2.741 -9.846 556 H SER 71 H SER 71 -17.477 -1.607 -6.765 557 HA SER 71 HA SER 71 -19.683 -3.450 -6.031 558 1HB SER 71 HB2 SER 71 -17.224 -4.061 -5.926 559 2HB SER 71 HB3 SER 71 -17.126 -3.083 -4.439 560 HG SER 71 HG SER 71 -19.118 -4.498 -3.931 561 H ASP 72 H ASP 72 -19.979 -0.462 -5.750 562 HA ASP 72 HA ASP 72 -19.453 0.673 -3.353 563 1HB ASP 72 HB2 ASP 72 -20.311 1.830 -5.328 564 2HB ASP 72 HB3 ASP 72 -21.919 1.161 -5.047 565 H ASP 73 H ASP 73 -21.966 -1.697 -3.726 566 HA ASP 73 HA ASP 73 -23.370 -0.842 -1.255 567 1HB ASP 73 HB2 ASP 73 -24.633 -1.103 -3.420 568 2HB ASP 73 HB3 ASP 73 -24.380 -2.834 -3.207 569 H GLU 74 H GLU 74 -21.154 -2.982 -2.074 570 HA GLU 74 HA GLU 74 -20.094 -4.776 -1.077 571 1HB GLU 74 HB2 GLU 74 -20.743 -2.835 1.137 572 2HB GLU 74 HB3 GLU 74 -19.405 -4.019 1.232 573 1HG GLU 74 HG2 GLU 74 -18.346 -2.980 -0.728 574 2HG GLU 74 HG3 GLU 74 -19.637 -1.780 -0.797 575 H VAL 75 H VAL 75 -22.741 -5.567 -1.209 576 HA VAL 75 HA VAL 75 -23.352 -7.217 1.193 577 HB VAL 75 HB VAL 75 -24.484 -7.140 -1.609 578 1HG1 VAL 75 1HG1 VAL 75 -25.176 -9.207 0.515 579 2HG1 VAL 75 2HG1 VAL 75 -26.088 -8.917 -0.992 580 3HG1 VAL 75 3HG1 VAL 75 -24.441 -9.537 -1.070 581 1HG2 VAL 75 1HG2 VAL 75 -26.570 -6.586 -0.458 582 2HG2 VAL 75 2HG2 VAL 75 -25.773 -6.769 1.124 583 3HG2 VAL 75 3HG2 VAL 75 -25.284 -5.462 0.023 584 H GLU 76 H GLU 76 -22.234 -7.751 -1.978 585 HA GLU 76 HA GLU 76 -20.612 -10.123 -1.434 586 1HB GLU 76 HB2 GLU 76 -21.719 -11.544 -2.955 587 2HB GLU 76 HB3 GLU 76 -22.858 -11.063 -1.748 588 1HG GLU 76 HG2 GLU 76 -23.914 -9.480 -3.356 589 2HG GLU 76 HG3 GLU 76 -22.701 -9.919 -4.580 590 H GLU 77 H GLU 77 -22.155 -8.161 -3.906 591 HA GLU 77 HA GLU 77 -19.634 -6.915 -4.420 592 1HB GLU 77 HB2 GLU 77 -19.892 -8.480 -6.354 593 2HB GLU 77 HB3 GLU 77 -21.359 -7.650 -6.817 594 1HG GLU 77 HG2 GLU 77 -20.119 -5.558 -7.176 595 2HG GLU 77 HG3 GLU 77 -18.655 -6.279 -6.516 596 H SER 78 H SER 78 -22.940 -6.895 -5.679 597 HA SER 78 HA SER 78 -23.515 -4.145 -4.756 598 1HB SER 78 HB2 SER 78 -23.650 -3.377 -7.147 599 2HB SER 78 HB3 SER 78 -22.030 -3.793 -6.620 600 HG SER 78 HG SER 78 -22.199 -5.801 -7.646 601 H PHE 79 H PHE 79 -24.846 -7.025 -4.945 602 HA PHE 79 HA PHE 79 -27.101 -6.802 -6.726 603 1HB PHE 79 HB2 PHE 79 -26.002 -8.930 -6.130 604 2HB PHE 79 HB3 PHE 79 -26.533 -8.745 -4.463 605 HD1 PHE 79 HD1 PHE 79 -27.780 -9.076 -7.982 606 HD2 PHE 79 HD2 PHE 79 -28.675 -9.584 -3.798 607 HE1 PHE 79 HE1 PHE 79 -29.893 -10.243 -8.573 608 HE2 PHE 79 HE2 PHE 79 -30.789 -10.741 -4.389 609 HZ PHE 79 HZ PHE 79 -31.396 -11.084 -6.777 Start of MODEL 15 1 1H GLY 1 H1 GLY 1 24.760 -14.167 -4.301 2 2H GLY 1 H2 GLY 1 25.295 -12.800 -5.017 3 3H GLY 1 H3 GLY 1 24.087 -12.726 -3.913 4 1HA GLY 1 HA2 GLY 1 26.881 -13.516 -3.341 5 2HA GLY 1 HA3 GLY 1 26.163 -11.945 -2.945 6 H SER 2 H SER 2 27.096 -14.722 -1.550 7 HA SER 2 HA SER 2 24.875 -15.604 -0.027 8 1HB SER 2 HB2 SER 2 27.840 -15.792 0.647 9 2HB SER 2 HB3 SER 2 26.544 -16.795 1.318 10 HG SER 2 HG SER 2 27.637 -17.818 -0.431 11 H HIS 3 H HIS 3 27.063 -12.932 0.605 12 HA HIS 3 HA HIS 3 25.740 -12.366 3.225 13 1HB HIS 3 HB2 HIS 3 27.865 -11.929 4.204 14 2HB HIS 3 HB3 HIS 3 27.940 -13.511 3.446 15 HD2 HIS 3 HD2 HIS 3 30.163 -10.811 3.974 16 HE1 HIS 3 HE1 HIS 3 31.119 -11.817 -0.053 17 HE2 HIS 3 HE2 HIS 3 31.899 -10.556 2.013 18 H MET 4 H MET 4 26.146 -11.046 0.210 19 HA MET 4 HA MET 4 25.647 -8.297 1.182 20 1HB MET 4 HB2 MET 4 27.866 -8.939 -0.822 21 2HB MET 4 HB3 MET 4 27.266 -7.327 -0.434 22 1HG MET 4 HG2 MET 4 27.955 -7.747 1.970 23 2HG MET 4 HG3 MET 4 28.779 -9.195 1.402 24 1HE MET 4 HE1 MET 4 29.982 -8.147 -1.490 25 2HE MET 4 HE2 MET 4 31.596 -7.656 -0.932 26 3HE MET 4 HE3 MET 4 30.862 -9.150 -0.312 27 H LEU 5 H LEU 5 24.423 -7.110 -0.076 28 HA LEU 5 HA LEU 5 22.817 -8.328 -2.182 29 1HB LEU 5 HB2 LEU 5 22.838 -5.544 -1.044 30 2HB LEU 5 HB3 LEU 5 21.640 -6.247 -2.128 31 HG LEU 5 HG LEU 5 22.237 -7.089 0.737 32 1HD1 LEU 5 1HD1 LEU 5 20.873 -5.103 0.321 33 2HD1 LEU 5 2HD1 LEU 5 19.798 -6.080 -0.718 34 3HD1 LEU 5 3HD1 LEU 5 19.916 -6.430 1.031 35 1HD2 LEU 5 1HD2 LEU 5 20.344 -8.697 0.503 36 2HD2 LEU 5 2HD2 LEU 5 20.350 -8.434 -1.254 37 3HD2 LEU 5 3HD2 LEU 5 21.751 -9.184 -0.442 38 H LEU 6 H LEU 6 25.650 -6.327 -2.154 39 HA LEU 6 HA LEU 6 26.818 -5.059 -3.552 40 1HB LEU 6 HB2 LEU 6 25.561 -6.591 -5.839 41 2HB LEU 6 HB3 LEU 6 27.047 -5.657 -5.889 42 HG LEU 6 HG LEU 6 26.594 -8.230 -4.312 43 1HD1 LEU 6 1HD1 LEU 6 28.328 -7.610 -6.732 44 2HD1 LEU 6 2HD1 LEU 6 28.212 -9.174 -5.892 45 3HD1 LEU 6 3HD1 LEU 6 26.803 -8.523 -6.746 46 1HD2 LEU 6 1HD2 LEU 6 29.123 -6.546 -4.583 47 2HD2 LEU 6 2HD2 LEU 6 28.197 -6.804 -3.089 48 3HD2 LEU 6 3HD2 LEU 6 29.023 -8.164 -3.849 49 H GLU 7 H GLU 7 23.672 -4.595 -3.269 50 HA GLU 7 HA GLU 7 23.811 -1.799 -4.059 51 1HB GLU 7 HB2 GLU 7 23.003 -2.796 -6.168 52 2HB GLU 7 HB3 GLU 7 21.655 -3.557 -5.313 53 1HG GLU 7 HG2 GLU 7 20.765 -1.316 -4.718 54 2HG GLU 7 HG3 GLU 7 22.172 -0.556 -5.474 55 H PHE 8 H PHE 8 23.454 -1.129 -2.056 56 HA PHE 8 HA PHE 8 22.130 -2.721 -0.127 57 1HB PHE 8 HB2 PHE 8 22.986 0.178 0.125 58 2HB PHE 8 HB3 PHE 8 22.752 -0.977 1.436 59 HD1 PHE 8 HD1 PHE 8 24.206 -3.227 1.228 60 HD2 PHE 8 HD2 PHE 8 25.179 0.519 -0.680 61 HE1 PHE 8 HE1 PHE 8 26.570 -3.948 1.021 62 HE2 PHE 8 HE2 PHE 8 27.544 -0.212 -0.885 63 HZ PHE 8 HZ PHE 8 28.239 -2.451 -0.055 64 H LYS 9 H LYS 9 20.814 -0.164 -2.072 65 HA LYS 9 HA LYS 9 18.797 0.920 -0.456 66 1HB LYS 9 HB2 LYS 9 18.900 0.574 -3.476 67 2HB LYS 9 HB3 LYS 9 17.734 1.585 -2.608 68 1HG LYS 9 HG2 LYS 9 19.572 2.943 -1.666 69 2HG LYS 9 HG3 LYS 9 20.758 1.973 -2.573 70 1HD LYS 9 HD2 LYS 9 19.706 2.674 -4.715 71 2HD LYS 9 HD3 LYS 9 18.467 3.560 -3.825 72 1HE LYS 9 HE2 LYS 9 20.018 5.172 -4.599 73 2HE LYS 9 HE3 LYS 9 20.246 5.030 -2.850 74 1HZ LYS 9 HZ1 LYS 9 21.952 3.756 -4.899 75 2HZ LYS 9 HZ2 LYS 9 22.333 5.102 -4.056 76 3HZ LYS 9 HZ3 LYS 9 22.200 3.673 -3.278 77 H GLN 10 H GLN 10 18.727 -2.152 -2.009 78 HA GLN 10 HA GLN 10 16.047 -2.212 -2.850 79 1HB GLN 10 HB2 GLN 10 17.648 -4.708 -2.241 80 2HB GLN 10 HB3 GLN 10 16.334 -4.539 -3.412 81 1HG GLN 10 HG2 GLN 10 17.765 -3.052 -4.787 82 2HG GLN 10 HG3 GLN 10 19.010 -3.194 -3.530 83 1HE2 GLN 10 2HE2 GLN 10 20.431 -4.837 -3.621 84 2HE2 GLN 10 1HE2 GLN 10 20.245 -6.245 -4.676 85 H PHE 11 H PHE 11 17.379 -3.017 0.237 86 HA PHE 11 HA PHE 11 15.386 -4.660 1.157 87 1HB PHE 11 HB2 PHE 11 15.975 -4.134 3.394 88 2HB PHE 11 HB3 PHE 11 17.448 -4.151 2.440 89 HD1 PHE 11 HD1 PHE 11 17.579 -1.406 1.310 90 HD2 PHE 11 HD2 PHE 11 16.440 -2.747 5.238 91 HE1 PHE 11 HE1 PHE 11 18.262 0.732 2.177 92 HE2 PHE 11 HE2 PHE 11 17.176 -0.562 6.166 93 HZ PHE 11 HZ PHE 11 18.094 1.195 4.654 94 H LEU 12 H LEU 12 15.324 -1.206 0.599 95 HA LEU 12 HA LEU 12 12.874 -0.721 2.052 96 1HB LEU 12 HB2 LEU 12 15.003 0.869 0.913 97 2HB LEU 12 HB3 LEU 12 13.479 1.409 0.262 98 HG LEU 12 HG LEU 12 12.696 1.147 2.859 99 1HD1 LEU 12 1HD1 LEU 12 15.660 1.765 3.047 100 2HD1 LEU 12 2HD1 LEU 12 14.491 1.641 4.387 101 3HD1 LEU 12 3HD1 LEU 12 14.943 0.191 3.443 102 1HD2 LEU 12 1HD2 LEU 12 12.519 3.011 1.423 103 2HD2 LEU 12 2HD2 LEU 12 13.096 3.510 3.036 104 3HD2 LEU 12 3HD2 LEU 12 14.238 3.417 1.646 105 H TYR 13 H TYR 13 13.781 -1.507 -1.095 106 HA TYR 13 HA TYR 13 11.293 -0.675 -2.391 107 1HB TYR 13 HB2 TYR 13 13.831 -2.015 -3.394 108 2HB TYR 13 HB3 TYR 13 12.563 -1.416 -4.420 109 HD1 TYR 13 HD2 TYR 13 12.305 1.070 -2.190 110 HD2 TYR 13 HD1 TYR 13 15.324 -0.471 -4.832 111 HE1 TYR 13 HE2 TYR 13 13.342 3.249 -2.158 112 HE2 TYR 13 HE1 TYR 13 16.416 1.768 -4.821 113 HH TYR 13 HH TYR 13 15.136 4.526 -2.943 114 H GLU 14 H GLU 14 12.615 -3.702 -1.201 115 HA GLU 14 HA GLU 14 10.358 -5.409 -2.009 116 1HB GLU 14 HB2 GLU 14 12.158 -5.528 0.368 117 2HB GLU 14 HB3 GLU 14 10.979 -6.762 -0.030 118 1HG GLU 14 HG2 GLU 14 13.333 -5.987 -1.805 119 2HG GLU 14 HG3 GLU 14 13.327 -7.292 -0.607 120 H ALA 15 H ALA 15 11.196 -3.485 0.843 121 HA ALA 15 HA ALA 15 9.238 -4.056 2.602 122 1HB ALA 15 HB1 ALA 15 10.233 -1.239 1.971 123 2HB ALA 15 HB2 ALA 15 9.640 -1.797 3.545 124 3HB ALA 15 HB3 ALA 15 11.178 -2.438 2.907 125 H SER 16 H SER 16 9.088 -1.734 0.037 126 HA SER 16 HA SER 16 6.838 -0.238 0.416 127 1HB SER 16 HB2 SER 16 8.586 -1.181 -1.817 128 2HB SER 16 HB3 SER 16 7.075 -0.365 -2.291 129 HG SER 16 HG SER 16 8.080 1.389 -1.892 130 H ILE 17 H ILE 17 6.995 -3.508 -0.788 131 HA ILE 17 HA ILE 17 4.144 -3.533 -1.769 132 HB ILE 17 HB ILE 17 6.747 -4.579 -2.801 133 1HG1 ILE 17 2HG1 ILE 17 5.559 -4.180 -5.000 134 2HG1 ILE 17 3HG1 ILE 17 4.196 -3.485 -4.106 135 1HG2 ILE 17 1HG2 ILE 17 5.693 -6.314 -4.203 136 2HG2 ILE 17 2HG2 ILE 17 5.831 -6.719 -2.505 137 3HG2 ILE 17 3HG2 ILE 17 4.250 -6.250 -3.161 138 1HD1 ILE 17 1HD1 ILE 17 6.024 -1.892 -5.048 139 2HD1 ILE 17 2HD1 ILE 17 5.507 -1.646 -3.387 140 3HD1 ILE 17 3HD1 ILE 17 7.047 -2.477 -3.738 141 H ASP 18 H ASP 18 6.441 -5.139 0.227 142 HA ASP 18 HA ASP 18 5.644 -7.742 0.364 143 1HB ASP 18 HB2 ASP 18 7.733 -6.878 1.277 144 2HB ASP 18 HB3 ASP 18 6.868 -6.072 2.592 145 H GLU 19 H GLU 19 4.283 -5.193 2.353 146 HA GLU 19 HA GLU 19 2.022 -7.043 3.128 147 1HB GLU 19 HB2 GLU 19 2.912 -4.514 4.527 148 2HB GLU 19 HB3 GLU 19 1.451 -5.444 4.906 149 1HG GLU 19 HG2 GLU 19 2.903 -7.442 5.342 150 2HG GLU 19 HG3 GLU 19 4.328 -6.416 5.130 151 H PHE 20 H PHE 20 2.742 -3.787 1.880 152 HA PHE 20 HA PHE 20 0.145 -2.779 1.785 153 1HB PHE 20 HB2 PHE 20 2.703 -1.864 1.044 154 2HB PHE 20 HB3 PHE 20 1.925 -2.023 -0.517 155 HD1 PHE 20 HD2 PHE 20 -0.733 -1.128 -0.311 156 HD2 PHE 20 HD1 PHE 20 2.750 0.254 1.848 157 HE1 PHE 20 HE2 PHE 20 -1.726 1.070 -0.128 158 HE2 PHE 20 HE1 PHE 20 1.739 2.510 1.988 159 HZ PHE 20 HZ PHE 20 -0.466 2.951 0.979 160 H MET 21 H MET 21 1.793 -4.522 -0.868 161 HA MET 21 HA MET 21 -0.429 -4.351 -2.707 162 1HB MET 21 HB2 MET 21 1.938 -6.279 -2.492 163 2HB MET 21 HB3 MET 21 0.681 -6.566 -3.690 164 1HG MET 21 HG2 MET 21 1.919 -3.830 -3.606 165 2HG MET 21 HG3 MET 21 2.851 -5.173 -4.249 166 1HE MET 21 HE1 MET 21 -1.007 -5.300 -4.676 167 2HE MET 21 HE2 MET 21 -0.704 -3.539 -4.699 168 3HE MET 21 HE3 MET 21 -1.237 -4.386 -6.170 169 H GLY 22 H GLY 22 0.153 -6.428 -0.055 170 1HA GLY 22 HA2 GLY 22 -1.988 -8.313 -0.635 171 2HA GLY 22 HA3 GLY 22 -1.063 -8.200 0.886 172 H LYS 23 H LYS 23 -1.583 -5.199 1.155 173 HA LYS 23 HA LYS 23 -3.917 -5.328 2.629 174 1HB LYS 23 HB2 LYS 23 -3.008 -3.801 3.801 175 2HB LYS 23 HB3 LYS 23 -1.563 -4.154 2.923 176 1HG LYS 23 HG2 LYS 23 -2.027 -2.363 1.382 177 2HG LYS 23 HG3 LYS 23 -3.446 -1.974 2.256 178 1HD LYS 23 HD2 LYS 23 -0.765 -2.175 3.625 179 2HD LYS 23 HD3 LYS 23 -1.298 -0.624 2.924 180 1HE LYS 23 HE2 LYS 23 -3.016 -0.396 4.522 181 2HE LYS 23 HE3 LYS 23 -3.093 -2.148 4.761 182 1HZ LYS 23 HZ1 LYS 23 -0.883 -0.447 5.742 183 2HZ LYS 23 HZ2 LYS 23 -2.134 -0.961 6.663 184 3HZ LYS 23 HZ3 LYS 23 -1.086 -2.055 6.035 185 H ILE 24 H ILE 24 -2.910 -4.080 -0.423 186 HA ILE 24 HA ILE 24 -5.399 -2.854 -1.368 187 HB ILE 24 HB ILE 24 -3.217 -4.333 -3.053 188 1HG1 ILE 24 2HG1 ILE 24 -2.079 -2.550 -2.082 189 2HG1 ILE 24 3HG1 ILE 24 -2.443 -2.184 -3.778 190 1HG2 ILE 24 1HG2 ILE 24 -5.700 -2.826 -3.829 191 2HG2 ILE 24 2HG2 ILE 24 -4.324 -2.994 -4.901 192 3HG2 ILE 24 3HG2 ILE 24 -5.108 -4.443 -4.341 193 1HD1 ILE 24 1HD1 ILE 24 -3.799 -1.193 -1.340 194 2HD1 ILE 24 2HD1 ILE 24 -2.906 -0.319 -2.642 195 3HD1 ILE 24 3HD1 ILE 24 -4.523 -1.075 -2.989 196 H ALA 25 H ALA 25 -3.874 -5.974 -1.846 197 HA ALA 25 HA ALA 25 -5.932 -6.787 -3.536 198 1HB ALA 25 HB1 ALA 25 -4.839 -9.063 -3.556 199 2HB ALA 25 HB2 ALA 25 -3.691 -7.730 -3.766 200 3HB ALA 25 HB3 ALA 25 -3.825 -8.552 -2.193 201 H SER 26 H SER 26 -5.573 -6.991 -0.178 202 HA SER 26 HA SER 26 -7.823 -8.789 0.230 203 1HB SER 26 HB2 SER 26 -6.892 -9.550 2.138 204 2HB SER 26 HB3 SER 26 -5.421 -9.132 1.296 205 HG SER 26 HG SER 26 -6.861 -7.406 3.047 206 H CYS 27 H CYS 27 -7.945 -5.716 -0.352 207 HA CYS 27 HA CYS 27 -8.388 -4.459 2.059 208 1HB CYS 27 HB2 CYS 27 -9.132 -2.573 0.679 209 2HB CYS 27 HB3 CYS 27 -7.718 -3.341 -0.064 210 HG CYS 27 HG CYS 27 -8.583 -4.416 -1.956 211 H GLN 28 H GLN 28 -10.335 -6.330 0.102 212 HA GLN 28 HA GLN 28 -12.386 -7.195 -0.153 213 1HB GLN 28 HB2 GLN 28 -12.438 -6.681 2.843 214 2HB GLN 28 HB3 GLN 28 -13.596 -7.724 2.033 215 1HG GLN 28 HG2 GLN 28 -12.002 -9.367 1.555 216 2HG GLN 28 HG3 GLN 28 -10.638 -8.264 1.736 217 1HE2 GLN 28 1HE2 GLN 28 -9.889 -7.678 3.790 218 2HE2 GLN 28 2HE2 GLN 28 -10.491 -8.441 5.265 219 H THR 29 H THR 29 -12.391 -4.001 0.603 220 HA THR 29 HA THR 29 -15.278 -3.451 0.146 221 HB THR 29 HB THR 29 -15.189 -1.976 2.210 222 HG1 THR 29 HG1 THR 29 -12.862 -3.497 2.645 223 1HG2 THR 29 1HG2 THR 29 -16.530 -4.069 2.226 224 2HG2 THR 29 2HG2 THR 29 -15.123 -4.950 2.889 225 3HG2 THR 29 3HG2 THR 29 -15.901 -3.646 3.827 226 H LEU 30 H LEU 30 -15.580 -1.283 -0.551 227 HA LEU 30 HA LEU 30 -13.065 -0.128 -1.552 228 1HB LEU 30 HB2 LEU 30 -15.446 0.135 -2.692 229 2HB LEU 30 HB3 LEU 30 -15.687 1.298 -1.424 230 HG LEU 30 HG LEU 30 -12.999 1.792 -2.267 231 1HD1 LEU 30 1HD1 LEU 30 -13.347 2.307 -4.633 232 2HD1 LEU 30 2HD1 LEU 30 -12.895 0.720 -4.088 233 3HD1 LEU 30 3HD1 LEU 30 -14.577 1.071 -4.561 234 1HD2 LEU 30 1HD2 LEU 30 -13.756 3.800 -3.106 235 2HD2 LEU 30 2HD2 LEU 30 -15.457 3.129 -3.139 236 3HD2 LEU 30 3HD2 LEU 30 -14.596 3.320 -1.538 237 H GLU 31 H GLU 31 -15.458 0.352 0.899 238 HA GLU 31 HA GLU 31 -14.671 2.783 1.888 239 1HB GLU 31 HB2 GLU 31 -16.750 1.143 2.104 240 2HB GLU 31 HB3 GLU 31 -15.858 0.403 3.443 241 1HG GLU 31 HG2 GLU 31 -15.642 2.497 4.432 242 2HG GLU 31 HG3 GLU 31 -16.691 3.326 3.269 243 H GLY 32 H GLY 32 -13.578 -0.421 2.582 244 1HA GLY 32 HA2 GLY 32 -11.551 0.502 4.478 245 2HA GLY 32 HA3 GLY 32 -11.692 -1.180 3.825 246 H LEU 33 H LEU 33 -11.467 -0.358 1.030 247 HA LEU 33 HA LEU 33 -8.701 -0.013 0.640 248 1HB LEU 33 HB2 LEU 33 -10.426 -0.855 -0.918 249 2HB LEU 33 HB3 LEU 33 -11.193 0.625 -1.032 250 HG LEU 33 HG LEU 33 -9.531 1.717 -2.315 251 1HD1 LEU 33 1HD1 LEU 33 -7.505 0.788 -3.040 252 2HD1 LEU 33 2HD1 LEU 33 -7.459 0.956 -1.276 253 3HD1 LEU 33 3HD1 LEU 33 -7.685 -0.661 -1.998 254 1HD2 LEU 33 1HD2 LEU 33 -9.410 0.269 -4.220 255 2HD2 LEU 33 2HD2 LEU 33 -9.654 -1.150 -3.179 256 3HD2 LEU 33 3HD2 LEU 33 -10.975 0.028 -3.408 257 H GLU 34 H GLU 34 -11.161 2.335 0.424 258 HA GLU 34 HA GLU 34 -9.870 4.796 0.228 259 1HB GLU 34 HB2 GLU 34 -12.348 3.726 1.423 260 2HB GLU 34 HB3 GLU 34 -12.014 5.465 1.606 261 1HG GLU 34 HG2 GLU 34 -12.144 4.025 -1.133 262 2HG GLU 34 HG3 GLU 34 -13.446 4.840 -0.278 263 H GLU 35 H GLU 35 -10.336 2.748 3.044 264 HA GLU 35 HA GLU 35 -9.235 4.683 5.041 265 1HB GLU 35 HB2 GLU 35 -9.821 1.725 5.408 266 2HB GLU 35 HB3 GLU 35 -9.106 2.740 6.614 267 1HG GLU 35 HG2 GLU 35 -11.653 3.659 5.361 268 2HG GLU 35 HG3 GLU 35 -11.735 2.275 6.484 269 H LEU 36 H LEU 36 -8.166 1.753 3.337 270 HA LEU 36 HA LEU 36 -5.501 1.871 4.079 271 1HB LEU 36 HB2 LEU 36 -6.029 1.031 1.271 272 2HB LEU 36 HB3 LEU 36 -4.763 0.571 2.359 273 HG LEU 36 HG LEU 36 -7.603 -0.202 2.874 274 1HD1 LEU 36 1HD1 LEU 36 -6.968 -2.369 1.922 275 2HD1 LEU 36 2HD1 LEU 36 -6.908 -1.116 0.677 276 3HD1 LEU 36 3HD1 LEU 36 -5.419 -1.684 1.389 277 1HD2 LEU 36 1HD2 LEU 36 -4.959 -1.204 3.789 278 2HD2 LEU 36 2HD2 LEU 36 -6.098 -0.226 4.743 279 3HD2 LEU 36 3HD2 LEU 36 -6.547 -1.873 4.260 280 H GLU 37 H GLU 37 -7.188 3.585 1.393 281 HA GLU 37 HA GLU 37 -5.165 4.961 0.398 282 1HB GLU 37 HB2 GLU 37 -7.532 4.734 -0.295 283 2HB GLU 37 HB3 GLU 37 -7.966 6.149 0.567 284 1HG GLU 37 HG2 GLU 37 -5.698 6.041 -1.429 285 2HG GLU 37 HG3 GLU 37 -7.369 6.194 -2.031 286 H ALA 38 H ALA 38 -7.330 5.901 3.022 287 HA ALA 38 HA ALA 38 -6.057 8.357 3.501 288 1HB ALA 38 HB1 ALA 38 -8.295 7.826 4.443 289 2HB ALA 38 HB2 ALA 38 -7.586 6.546 5.456 290 3HB ALA 38 HB3 ALA 38 -7.170 8.243 5.759 291 H TYR 39 H TYR 39 -5.559 5.066 4.941 292 HA TYR 39 HA TYR 39 -3.563 5.763 6.735 293 1HB TYR 39 HB2 TYR 39 -4.127 3.637 7.249 294 2HB TYR 39 HB3 TYR 39 -4.532 3.234 5.584 295 HD1 TYR 39 HD1 TYR 39 -1.694 3.366 8.012 296 HD2 TYR 39 HD2 TYR 39 -2.984 2.270 4.050 297 HE1 TYR 39 HE1 TYR 39 0.543 2.426 7.533 298 HE2 TYR 39 HE2 TYR 39 -0.741 1.492 3.513 299 HH TYR 39 HH TYR 39 1.921 1.485 5.940 300 H TYR 40 H TYR 40 -3.305 4.957 3.285 301 HA TYR 40 HA TYR 40 -0.502 4.927 2.836 302 1HB TYR 40 HB2 TYR 40 -2.019 4.331 1.020 303 2HB TYR 40 HB3 TYR 40 -2.990 5.742 1.308 304 HD1 TYR 40 HD1 TYR 40 0.630 5.169 0.288 305 HD2 TYR 40 HD2 TYR 40 -3.074 7.306 -0.248 306 HE1 TYR 40 HE1 TYR 40 1.645 6.529 -1.529 307 HE2 TYR 40 HE2 TYR 40 -1.976 8.806 -1.861 308 HH TYR 40 HH TYR 40 1.232 8.143 -3.207 309 H LYS 41 H LYS 41 -2.863 7.667 2.520 310 HA LYS 41 HA LYS 41 -0.927 9.672 2.211 311 1HB LYS 41 HB2 LYS 41 -3.578 9.929 3.543 312 2HB LYS 41 HB3 LYS 41 -2.610 11.262 2.933 313 1HG LYS 41 HG2 LYS 41 -2.948 9.135 0.914 314 2HG LYS 41 HG3 LYS 41 -4.476 9.686 1.523 315 1HD LYS 41 HD2 LYS 41 -3.799 10.869 -0.470 316 2HD LYS 41 HD3 LYS 41 -3.771 12.059 0.846 317 1HE LYS 41 HE2 LYS 41 -1.286 10.532 0.518 318 2HE LYS 41 HE3 LYS 41 -1.717 11.366 -0.982 319 1HZ LYS 41 HZ1 LYS 41 -1.809 13.444 0.202 320 2HZ LYS 41 HZ2 LYS 41 -1.401 12.737 1.629 321 3HZ LYS 41 HZ3 LYS 41 -0.328 12.773 0.384 322 H LYS 42 H LYS 42 -2.252 8.371 5.309 323 HA LYS 42 HA LYS 42 -1.318 10.237 7.162 324 1HB LYS 42 HB2 LYS 42 -2.341 7.392 7.031 325 2HB LYS 42 HB3 LYS 42 -1.972 8.049 8.543 326 1HG LYS 42 HG2 LYS 42 -3.896 9.417 6.676 327 2HG LYS 42 HG3 LYS 42 -4.390 8.146 7.821 328 1HD LYS 42 HD2 LYS 42 -3.695 9.588 9.699 329 2HD LYS 42 HD3 LYS 42 -3.109 10.799 8.530 330 1HE LYS 42 HE2 LYS 42 -5.473 10.610 7.451 331 2HE LYS 42 HE3 LYS 42 -5.969 9.799 8.940 332 1HZ LYS 42 HZ1 LYS 42 -6.442 12.153 9.047 333 2HZ LYS 42 HZ2 LYS 42 -5.333 11.746 10.193 334 3HZ LYS 42 HZ3 LYS 42 -4.862 12.530 8.830 335 H ARG 43 H ARG 43 0.136 7.172 5.921 336 HA ARG 43 HA ARG 43 2.538 7.586 7.620 337 1HB ARG 43 HB2 ARG 43 1.776 5.287 6.777 338 2HB ARG 43 HB3 ARG 43 2.256 5.800 5.154 339 1HG ARG 43 HG2 ARG 43 4.571 6.277 6.106 340 2HG ARG 43 HG3 ARG 43 4.030 5.632 7.645 341 1HD ARG 43 HD2 ARG 43 5.332 3.968 6.474 342 2HD ARG 43 HD3 ARG 43 3.659 3.420 6.684 343 HE ARG 43 HE ARG 43 3.268 4.138 4.295 344 1HH1 ARG 43 1HH1 ARG 43 6.513 2.976 5.176 345 2HH1 ARG 43 2HH1 ARG 43 6.868 2.666 3.496 346 1HH2 ARG 43 1HH2 ARG 43 3.867 3.604 2.258 347 2HH2 ARG 43 2HH2 ARG 43 5.483 3.007 1.927 348 H VAL 44 H VAL 44 1.797 8.127 4.101 349 HA VAL 44 HA VAL 44 4.305 8.785 3.404 350 HB VAL 44 HB VAL 44 1.583 9.784 2.449 351 1HG1 VAL 44 1HG1 VAL 44 4.277 9.753 1.077 352 2HG1 VAL 44 2HG1 VAL 44 2.688 9.923 0.244 353 3HG1 VAL 44 3HG1 VAL 44 3.201 11.180 1.390 354 1HG2 VAL 44 1HG2 VAL 44 1.601 7.901 1.100 355 2HG2 VAL 44 2HG2 VAL 44 3.374 7.694 1.253 356 3HG2 VAL 44 3HG2 VAL 44 2.359 7.238 2.563 357 H LYS 45 H LYS 45 1.986 10.993 4.911 358 HA LYS 45 HA LYS 45 3.552 13.303 4.636 359 1HB LYS 45 HB2 LYS 45 2.259 14.079 6.757 360 2HB LYS 45 HB3 LYS 45 1.380 13.635 5.294 361 1HG LYS 45 HG2 LYS 45 0.382 11.847 6.193 362 2HG LYS 45 HG3 LYS 45 1.794 11.314 7.014 363 1HD LYS 45 HD2 LYS 45 0.467 13.690 8.255 364 2HD LYS 45 HD3 LYS 45 -0.378 12.131 8.340 365 1HE LYS 45 HE2 LYS 45 1.725 11.043 9.134 366 2HE LYS 45 HE3 LYS 45 2.493 12.641 9.206 367 1HZ LYS 45 HZ1 LYS 45 1.670 12.033 11.365 368 2HZ LYS 45 HZ2 LYS 45 0.829 13.312 10.822 369 3HZ LYS 45 HZ3 LYS 45 0.142 11.826 10.811 370 H GLU 46 H GLU 46 3.663 10.800 7.042 371 HA GLU 46 HA GLU 46 5.814 11.766 8.863 372 1HB GLU 46 HB2 GLU 46 3.863 10.575 9.508 373 2HB GLU 46 HB3 GLU 46 4.449 9.156 8.651 374 1HG GLU 46 HG2 GLU 46 5.033 9.007 10.947 375 2HG GLU 46 HG3 GLU 46 6.461 9.128 9.963 376 H THR 47 H THR 47 5.357 10.107 6.007 377 HA THR 47 HA THR 47 6.535 9.124 4.502 378 HB THR 47 HB THR 47 7.169 11.279 3.942 379 HG1 THR 47 HG1 THR 47 8.563 9.716 3.060 380 1HG2 THR 47 1HG2 THR 47 7.487 12.108 6.163 381 2HG2 THR 47 2HG2 THR 47 9.017 11.213 6.290 382 3HG2 THR 47 3HG2 THR 47 8.867 12.568 5.118 383 H GLU 48 H GLU 48 6.931 7.155 4.743 384 HA GLU 48 HA GLU 48 9.581 7.084 3.984 385 1HB GLU 48 HB2 GLU 48 10.194 4.700 4.776 386 2HB GLU 48 HB3 GLU 48 10.338 6.030 5.929 387 1HG GLU 48 HG2 GLU 48 8.391 5.518 7.039 388 2HG GLU 48 HG3 GLU 48 7.706 4.764 5.601 389 H LEU 49 H LEU 49 7.174 7.294 2.835 390 HA LEU 49 HA LEU 49 7.097 5.074 0.856 391 1HB LEU 49 HB2 LEU 49 4.971 6.114 1.712 392 2HB LEU 49 HB3 LEU 49 5.508 7.597 0.920 393 HG LEU 49 HG LEU 49 5.731 5.514 -0.985 394 1HD1 LEU 49 1HD1 LEU 49 2.982 5.559 0.242 395 2HD1 LEU 49 2HD1 LEU 49 3.478 4.766 -1.287 396 3HD1 LEU 49 3HD1 LEU 49 4.147 4.192 0.238 397 1HD2 LEU 49 1HD2 LEU 49 5.336 7.651 -1.770 398 2HD2 LEU 49 2HD2 LEU 49 3.921 6.643 -2.183 399 3HD2 LEU 49 3HD2 LEU 49 3.788 7.804 -0.870 400 H LYS 50 H LYS 50 8.393 5.028 -0.580 401 HA LYS 50 HA LYS 50 10.025 7.343 -1.537 402 1HB LYS 50 HB2 LYS 50 11.565 5.726 -2.332 403 2HB LYS 50 HB3 LYS 50 11.269 5.296 -0.701 404 1HG LYS 50 HG2 LYS 50 9.453 3.822 -2.450 405 2HG LYS 50 HG3 LYS 50 11.118 3.655 -2.983 406 1HD LYS 50 HD2 LYS 50 10.561 1.888 -1.399 407 2HD LYS 50 HD3 LYS 50 11.794 2.975 -0.701 408 1HE LYS 50 HE2 LYS 50 10.015 4.181 0.495 409 2HE LYS 50 HE3 LYS 50 8.828 3.074 -0.163 410 1HZ LYS 50 HZ1 LYS 50 10.839 2.261 1.772 411 2HZ LYS 50 HZ2 LYS 50 9.204 2.306 1.924 412 3HZ LYS 50 HZ3 LYS 50 9.886 1.219 0.900 413 H ASP 51 H ASP 51 10.418 6.476 -4.141 414 HA ASP 51 HA ASP 51 7.847 6.982 -5.410 415 1HB ASP 51 HB2 ASP 51 8.973 6.548 -7.471 416 2HB ASP 51 HB3 ASP 51 9.908 7.659 -6.452 417 H THR 52 H THR 52 9.581 4.068 -4.617 418 HA THR 52 HA THR 52 8.406 2.307 -6.520 419 HB THR 52 HB THR 52 9.491 1.883 -3.709 420 HG1 THR 52 HG1 THR 52 11.504 1.502 -4.712 421 1HG2 THR 52 1HG2 THR 52 9.273 -0.142 -5.969 422 2HG2 THR 52 2HG2 THR 52 10.299 -0.391 -4.529 423 3HG2 THR 52 3HG2 THR 52 8.549 -0.248 -4.345 424 H ASP 53 H ASP 53 7.428 2.933 -3.100 425 HA ASP 53 HA ASP 53 5.390 0.831 -3.107 426 1HB ASP 53 HB2 ASP 53 4.532 3.001 -1.489 427 2HB ASP 53 HB3 ASP 53 5.040 1.421 -0.951 428 H ASP 54 H ASP 54 5.609 4.287 -3.721 429 HA ASP 54 HA ASP 54 2.895 4.898 -3.609 430 1HB ASP 54 HB2 ASP 54 5.117 6.371 -3.949 431 2HB ASP 54 HB3 ASP 54 4.911 6.098 -5.640 432 H ILE 55 H ILE 55 4.564 3.724 -6.264 433 HA ILE 55 HA ILE 55 2.436 4.247 -8.297 434 HB ILE 55 HB ILE 55 4.429 2.266 -9.230 435 1HG1 ILE 55 2HG1 ILE 55 5.962 4.626 -8.313 436 2HG1 ILE 55 3HG1 ILE 55 5.769 3.093 -7.406 437 1HG2 ILE 55 1HG2 ILE 55 3.967 5.143 -10.067 438 2HG2 ILE 55 2HG2 ILE 55 4.716 3.849 -11.037 439 3HG2 ILE 55 3HG2 ILE 55 3.009 3.726 -10.567 440 1HD1 ILE 55 1HD1 ILE 55 6.696 1.727 -8.897 441 2HD1 ILE 55 2HD1 ILE 55 6.860 2.994 -10.162 442 3HD1 ILE 55 3HD1 ILE 55 7.821 3.088 -8.654 443 H SER 56 H SER 56 4.054 1.540 -6.588 444 HA SER 56 HA SER 56 2.631 -0.469 -8.122 445 1HB SER 56 HB2 SER 56 4.595 -0.393 -6.121 446 2HB SER 56 HB3 SER 56 3.235 -1.128 -5.276 447 HG SER 56 HG SER 56 4.610 -2.652 -6.439 448 H VAL 57 H VAL 57 2.240 1.098 -5.053 449 HA VAL 57 HA VAL 57 -0.111 -0.241 -4.177 450 HB VAL 57 HB VAL 57 -0.043 1.202 -2.485 451 1HG1 VAL 57 1HG1 VAL 57 2.651 0.163 -2.905 452 2HG1 VAL 57 2HG1 VAL 57 1.911 0.655 -1.345 453 3HG1 VAL 57 3HG1 VAL 57 1.156 -0.654 -2.268 454 1HG2 VAL 57 1HG2 VAL 57 1.724 2.757 -1.867 455 2HG2 VAL 57 2HG2 VAL 57 1.679 3.057 -3.645 456 3HG2 VAL 57 3HG2 VAL 57 0.198 3.213 -2.685 457 H ARG 58 H ARG 58 0.419 3.229 -5.282 458 HA ARG 58 HA ARG 58 -2.358 3.674 -5.118 459 1HB ARG 58 HB2 ARG 58 -0.340 5.283 -5.791 460 2HB ARG 58 HB3 ARG 58 -0.963 5.062 -7.380 461 1HG ARG 58 HG2 ARG 58 -2.121 6.908 -6.461 462 2HG ARG 58 HG3 ARG 58 -3.263 5.583 -6.322 463 1HD ARG 58 HD2 ARG 58 -2.750 5.288 -3.941 464 2HD ARG 58 HD3 ARG 58 -1.381 6.359 -4.021 465 HE ARG 58 HE ARG 58 -4.140 7.043 -3.556 466 1HH1 ARG 58 1HH1 ARG 58 -1.406 8.508 -5.226 467 2HH1 ARG 58 2HH1 ARG 58 -2.087 10.105 -5.066 468 1HH2 ARG 58 2HH2 ARG 58 -4.782 9.099 -3.179 469 2HH2 ARG 58 1HH2 ARG 58 -3.983 10.421 -4.006 470 H ASP 59 H ASP 59 -0.505 2.307 -7.762 471 HA ASP 59 HA ASP 59 -2.654 2.744 -9.643 472 1HB ASP 59 HB2 ASP 59 -0.298 2.496 -10.282 473 2HB ASP 59 HB3 ASP 59 -0.351 0.780 -9.801 474 H ALA 60 H ALA 60 -1.909 0.474 -7.399 475 HA ALA 60 HA ALA 60 -3.684 -1.769 -7.956 476 1HB ALA 60 HB1 ALA 60 -1.773 -1.102 -5.646 477 2HB ALA 60 HB2 ALA 60 -2.625 -2.654 -5.925 478 3HB ALA 60 HB3 ALA 60 -1.420 -2.146 -7.056 479 H LEU 61 H LEU 61 -3.358 0.914 -5.576 480 HA LEU 61 HA LEU 61 -5.748 0.282 -4.187 481 1HB LEU 61 HB2 LEU 61 -3.746 2.452 -4.189 482 2HB LEU 61 HB3 LEU 61 -5.311 3.180 -4.221 483 HG LEU 61 HG LEU 61 -5.370 1.063 -2.376 484 1HD1 LEU 61 1HD1 LEU 61 -3.390 3.031 -1.310 485 2HD1 LEU 61 2HD1 LEU 61 -3.772 1.357 -0.836 486 3HD1 LEU 61 3HD1 LEU 61 -2.788 1.679 -2.284 487 1HD2 LEU 61 1HD2 LEU 61 -6.821 3.078 -2.333 488 2HD2 LEU 61 2HD2 LEU 61 -5.959 2.865 -0.788 489 3HD2 LEU 61 3HD2 LEU 61 -5.382 4.048 -1.983 490 H ALA 62 H ALA 62 -5.063 2.786 -6.520 491 HA ALA 62 HA ALA 62 -7.735 3.196 -7.295 492 1HB ALA 62 HB1 ALA 62 -6.876 4.358 -9.293 493 2HB ALA 62 HB2 ALA 62 -5.864 4.758 -7.885 494 3HB ALA 62 HB3 ALA 62 -5.312 3.576 -9.101 495 H GLY 63 H GLY 63 -5.718 0.625 -8.006 496 1HA GLY 63 HA2 GLY 63 -6.476 -0.508 -10.457 497 2HA GLY 63 HA3 GLY 63 -5.754 -1.276 -9.087 498 H LYS 64 H LYS 64 -7.222 -1.070 -7.055 499 HA LYS 64 HA LYS 64 -9.522 -2.783 -7.511 500 1HB LYS 64 HB2 LYS 64 -7.646 -3.106 -5.722 501 2HB LYS 64 HB3 LYS 64 -8.571 -1.933 -4.826 502 1HG LYS 64 HG2 LYS 64 -9.730 -3.851 -4.154 503 2HG LYS 64 HG3 LYS 64 -10.613 -3.539 -5.627 504 1HD LYS 64 HD2 LYS 64 -9.086 -5.076 -6.873 505 2HD LYS 64 HD3 LYS 64 -8.242 -5.438 -5.341 506 1HE LYS 64 HE2 LYS 64 -10.382 -6.260 -4.377 507 2HE LYS 64 HE3 LYS 64 -11.215 -5.907 -5.892 508 1HZ LYS 64 HZ1 LYS 64 -9.010 -7.865 -5.549 509 2HZ LYS 64 HZ2 LYS 64 -10.599 -8.228 -5.770 510 3HZ LYS 64 HZ3 LYS 64 -9.743 -7.520 -6.980 511 H ARG 65 H ARG 65 -9.057 0.603 -6.668 512 HA ARG 65 HA ARG 65 -11.361 1.027 -5.360 513 1HB ARG 65 HB2 ARG 65 -9.360 2.529 -6.037 514 2HB ARG 65 HB3 ARG 65 -10.369 3.080 -7.319 515 1HG ARG 65 HG2 ARG 65 -11.731 4.344 -5.786 516 2HG ARG 65 HG3 ARG 65 -11.569 3.122 -4.589 517 1HD ARG 65 HD2 ARG 65 -9.373 3.727 -3.954 518 2HD ARG 65 HD3 ARG 65 -9.099 4.610 -5.450 519 HE ARG 65 HE ARG 65 -10.376 5.633 -3.013 520 1HH1 ARG 65 1HH1 ARG 65 -10.120 6.305 -6.485 521 2HH1 ARG 65 2HH1 ARG 65 -10.560 7.971 -6.232 522 1HH2 ARG 65 1HH2 ARG 65 -10.899 7.622 -2.818 523 2HH2 ARG 65 2HH2 ARG 65 -10.992 8.734 -4.190 524 H ALA 66 H ALA 66 -10.902 1.046 -8.844 525 HA ALA 66 HA ALA 66 -13.603 1.841 -9.580 526 1HB ALA 66 HB1 ALA 66 -13.098 0.860 -11.744 527 2HB ALA 66 HB2 ALA 66 -11.782 1.935 -11.219 528 3HB ALA 66 HB3 ALA 66 -11.601 0.146 -11.102 529 H GLU 67 H GLU 67 -12.139 -1.248 -8.590 530 HA GLU 67 HA GLU 67 -14.076 -3.053 -9.790 531 1HB GLU 67 HB2 GLU 67 -12.233 -3.463 -7.448 532 2HB GLU 67 HB3 GLU 67 -12.992 -4.695 -8.467 533 1HG GLU 67 HG2 GLU 67 -10.894 -2.632 -9.397 534 2HG GLU 67 HG3 GLU 67 -10.636 -4.220 -8.744 535 H LEU 68 H LEU 68 -13.357 -1.407 -6.874 536 HA LEU 68 HA LEU 68 -15.184 -2.856 -5.157 537 1HB LEU 68 HB2 LEU 68 -12.881 -1.135 -4.873 538 2HB LEU 68 HB3 LEU 68 -14.106 -1.083 -3.580 539 HG LEU 68 HG LEU 68 -12.763 -3.602 -4.703 540 1HD1 LEU 68 1HD1 LEU 68 -11.809 -3.565 -2.532 541 2HD1 LEU 68 2HD1 LEU 68 -11.375 -2.234 -3.650 542 3HD1 LEU 68 3HD1 LEU 68 -12.505 -1.932 -2.282 543 1HD2 LEU 68 1HD2 LEU 68 -15.057 -4.105 -3.519 544 2HD2 LEU 68 2HD2 LEU 68 -13.731 -4.503 -2.419 545 3HD2 LEU 68 3HD2 LEU 68 -14.538 -2.947 -2.258 546 H GLU 69 H GLU 69 -14.982 0.159 -6.756 547 HA GLU 69 HA GLU 69 -17.249 1.504 -5.702 548 1HB GLU 69 HB2 GLU 69 -15.147 1.688 -7.845 549 2HB GLU 69 HB3 GLU 69 -16.529 2.327 -8.217 550 1HG GLU 69 HG2 GLU 69 -16.371 3.706 -5.895 551 2HG GLU 69 HG3 GLU 69 -14.746 3.101 -5.907 552 H ASP 70 H ASP 70 -16.611 -0.714 -8.290 553 HA ASP 70 HA ASP 70 -19.392 -0.757 -9.362 554 1HB ASP 70 HB2 ASP 70 -17.206 -1.792 -10.445 555 2HB ASP 70 HB3 ASP 70 -17.579 -3.172 -9.456 556 H SER 71 H SER 71 -17.452 -2.025 -6.753 557 HA SER 71 HA SER 71 -19.617 -3.848 -5.983 558 1HB SER 71 HB2 SER 71 -17.166 -4.476 -5.954 559 2HB SER 71 HB3 SER 71 -17.032 -3.574 -4.423 560 HG SER 71 HG SER 71 -17.488 -5.836 -4.161 561 H ASP 72 H ASP 72 -19.795 -0.843 -5.761 562 HA ASP 72 HA ASP 72 -19.569 0.215 -3.207 563 1HB ASP 72 HB2 ASP 72 -19.892 1.589 -5.096 564 2HB ASP 72 HB3 ASP 72 -21.508 0.913 -5.423 565 H ASP 73 H ASP 73 -22.027 -1.920 -4.431 566 HA ASP 73 HA ASP 73 -24.088 -1.498 -2.361 567 1HB ASP 73 HB2 ASP 73 -24.642 -1.974 -4.722 568 2HB ASP 73 HB3 ASP 73 -23.875 -3.554 -4.517 569 H GLU 74 H GLU 74 -24.162 -2.545 -0.493 570 HA GLU 74 HA GLU 74 -22.408 -4.918 -0.026 571 1HB GLU 74 HB2 GLU 74 -22.853 -2.617 1.875 572 2HB GLU 74 HB3 GLU 74 -21.848 -4.060 2.155 573 1HG GLU 74 HG2 GLU 74 -20.576 -3.443 0.046 574 2HG GLU 74 HG3 GLU 74 -21.464 -1.945 0.021 575 H VAL 75 H VAL 75 -23.215 -6.614 0.843 576 HA VAL 75 HA VAL 75 -24.605 -8.224 1.517 577 HB VAL 75 HB VAL 75 -25.392 -6.135 3.525 578 1HG1 VAL 75 1HG1 VAL 75 -27.414 -7.460 3.356 579 2HG1 VAL 75 2HG1 VAL 75 -26.472 -8.969 3.442 580 3HG1 VAL 75 3HG1 VAL 75 -26.564 -7.878 4.839 581 1HG2 VAL 75 1HG2 VAL 75 -23.933 -8.808 3.757 582 2HG2 VAL 75 2HG2 VAL 75 -23.154 -7.211 3.699 583 3HG2 VAL 75 3HG2 VAL 75 -24.191 -7.634 5.063 584 H GLU 76 H GLU 76 -26.561 -5.417 1.426 585 HA GLU 76 HA GLU 76 -28.715 -6.706 -0.176 586 1HB GLU 76 HB2 GLU 76 -30.398 -6.027 1.374 587 2HB GLU 76 HB3 GLU 76 -29.236 -6.990 2.229 588 1HG GLU 76 HG2 GLU 76 -28.211 -4.908 3.176 589 2HG GLU 76 HG3 GLU 76 -29.386 -3.928 2.267 590 H GLU 77 H GLU 77 -27.087 -3.812 0.880 591 HA GLU 77 HA GLU 77 -28.123 -2.182 -1.248 592 1HB GLU 77 HB2 GLU 77 -29.981 -2.122 0.487 593 2HB GLU 77 HB3 GLU 77 -28.873 -1.273 1.545 594 1HG GLU 77 HG2 GLU 77 -28.642 0.545 -0.119 595 2HG GLU 77 HG3 GLU 77 -29.700 -0.343 -1.231 596 H SER 78 H SER 78 -26.759 -1.965 2.033 597 HA SER 78 HA SER 78 -24.434 -0.350 1.278 598 1HB SER 78 HB2 SER 78 -25.332 1.689 2.463 599 2HB SER 78 HB3 SER 78 -26.191 1.286 0.977 600 HG SER 78 HG SER 78 -27.840 0.338 2.213 601 H PHE 79 H PHE 79 -25.038 -2.779 3.009 602 HA PHE 79 HA PHE 79 -24.560 -1.746 5.763 603 1HB PHE 79 HB2 PHE 79 -26.762 -2.731 5.345 604 2HB PHE 79 HB3 PHE 79 -26.017 -4.238 4.835 605 HD1 PHE 79 HD1 PHE 79 -26.547 -1.945 7.740 606 HD2 PHE 79 HD2 PHE 79 -25.238 -5.853 6.463 607 HE1 PHE 79 HE1 PHE 79 -26.506 -2.699 10.100 608 HE2 PHE 79 HE2 PHE 79 -25.218 -6.615 8.826 609 HZ PHE 79 HZ PHE 79 -25.847 -5.037 10.655 Start of MODEL 16 1 1H GLY 1 H1 GLY 1 23.395 6.574 11.046 2 2H GLY 1 H2 GLY 1 24.166 7.337 9.821 3 3H GLY 1 H3 GLY 1 23.997 5.710 9.796 4 1HA GLY 1 HA2 GLY 1 21.793 7.669 9.601 5 2HA GLY 1 HA3 GLY 1 22.443 6.720 8.250 6 H SER 2 H SER 2 20.281 5.946 7.925 7 HA SER 2 HA SER 2 18.751 4.495 9.838 8 1HB SER 2 HB2 SER 2 17.504 3.691 7.818 9 2HB SER 2 HB3 SER 2 17.695 5.440 7.942 10 HG SER 2 HG SER 2 19.168 3.687 6.255 11 H HIS 3 H HIS 3 18.377 2.327 10.167 12 HA HIS 3 HA HIS 3 20.492 0.408 9.887 13 1HB HIS 3 HB2 HIS 3 18.767 0.443 11.672 14 2HB HIS 3 HB3 HIS 3 17.525 0.051 10.481 15 HD2 HIS 3 HD2 HIS 3 20.872 -1.515 11.767 16 HE1 HIS 3 HE1 HIS 3 18.213 -4.718 10.853 17 HE2 HIS 3 HE2 HIS 3 20.517 -4.127 11.753 18 H MET 4 H MET 4 20.364 -1.673 8.749 19 HA MET 4 HA MET 4 18.566 -1.864 6.389 20 1HB MET 4 HB2 MET 4 21.572 -2.373 6.243 21 2HB MET 4 HB3 MET 4 20.389 -2.705 4.979 22 1HG MET 4 HG2 MET 4 19.823 -0.249 4.948 23 2HG MET 4 HG3 MET 4 21.173 0.022 6.047 24 1HE MET 4 HE1 MET 4 20.689 1.448 3.210 25 2HE MET 4 HE2 MET 4 22.030 1.839 4.310 26 3HE MET 4 HE3 MET 4 22.357 1.494 2.590 27 H LEU 5 H LEU 5 17.738 -3.806 6.079 28 HA LEU 5 HA LEU 5 17.872 -5.765 8.168 29 1HB LEU 5 HB2 LEU 5 16.517 -5.786 5.499 30 2HB LEU 5 HB3 LEU 5 16.298 -6.989 6.770 31 HG LEU 5 HG LEU 5 15.637 -4.007 6.988 32 1HD1 LEU 5 1HD1 LEU 5 13.357 -4.887 7.149 33 2HD1 LEU 5 2HD1 LEU 5 14.154 -5.430 5.646 34 3HD1 LEU 5 3HD1 LEU 5 14.012 -6.548 7.030 35 1HD2 LEU 5 1HD2 LEU 5 16.321 -4.694 9.228 36 2HD2 LEU 5 2HD2 LEU 5 14.567 -4.622 9.166 37 3HD2 LEU 5 3HD2 LEU 5 15.377 -6.205 9.092 38 H LEU 6 H LEU 6 19.422 -5.668 5.015 39 HA LEU 6 HA LEU 6 20.784 -8.274 5.535 40 1HB LEU 6 HB2 LEU 6 18.694 -8.422 4.134 41 2HB LEU 6 HB3 LEU 6 19.458 -7.387 2.935 42 HG LEU 6 HG LEU 6 21.095 -9.149 2.417 43 1HD1 LEU 6 1HD1 LEU 6 21.386 -10.207 4.608 44 2HD1 LEU 6 2HD1 LEU 6 19.697 -10.773 4.585 45 3HD1 LEU 6 3HD1 LEU 6 20.874 -11.408 3.413 46 1HD2 LEU 6 1HD2 LEU 6 18.935 -9.175 1.269 47 2HD2 LEU 6 2HD2 LEU 6 19.574 -10.810 1.490 48 3HD2 LEU 6 3HD2 LEU 6 18.263 -10.222 2.541 49 H GLU 7 H GLU 7 21.452 -5.121 5.128 50 HA GLU 7 HA GLU 7 22.993 -3.770 4.151 51 1HB GLU 7 HB2 GLU 7 24.362 -5.423 5.598 52 2HB GLU 7 HB3 GLU 7 24.969 -6.052 4.067 53 1HG GLU 7 HG2 GLU 7 25.776 -3.738 3.503 54 2HG GLU 7 HG3 GLU 7 25.115 -3.159 5.043 55 H PHE 8 H PHE 8 21.231 -4.915 2.361 56 HA PHE 8 HA PHE 8 22.670 -4.449 -0.185 57 1HB PHE 8 HB2 PHE 8 20.960 -6.855 0.463 58 2HB PHE 8 HB3 PHE 8 20.972 -6.203 -1.167 59 HD1 PHE 8 HD2 PHE 8 23.148 -5.955 -2.446 60 HD2 PHE 8 HD1 PHE 8 22.795 -8.289 1.166 61 HE1 PHE 8 HE2 PHE 8 25.213 -7.202 -3.036 62 HE2 PHE 8 HE1 PHE 8 24.859 -9.540 0.567 63 HZ PHE 8 HZ PHE 8 26.059 -9.002 -1.552 64 H LYS 9 H LYS 9 21.623 -3.232 -1.574 65 HA LYS 9 HA LYS 9 20.101 -1.206 -0.527 66 1HB LYS 9 HB2 LYS 9 21.667 -1.176 -2.471 67 2HB LYS 9 HB3 LYS 9 20.433 -1.946 -3.464 68 1HG LYS 9 HG2 LYS 9 18.952 0.036 -3.153 69 2HG LYS 9 HG3 LYS 9 20.191 0.798 -2.151 70 1HD LYS 9 HD2 LYS 9 20.509 0.003 -5.089 71 2HD LYS 9 HD3 LYS 9 20.124 1.630 -4.510 72 1HE LYS 9 HE2 LYS 9 22.281 1.730 -3.294 73 2HE LYS 9 HE3 LYS 9 22.679 0.097 -3.866 74 1HZ LYS 9 HZ1 LYS 9 22.253 2.457 -5.584 75 2HZ LYS 9 HZ2 LYS 9 23.697 1.785 -5.228 76 3HZ LYS 9 HZ3 LYS 9 22.618 0.953 -6.120 77 H GLN 10 H GLN 10 18.618 -4.029 -1.961 78 HA GLN 10 HA GLN 10 16.150 -2.629 -2.729 79 1HB GLN 10 HB2 GLN 10 16.728 -5.643 -2.644 80 2HB GLN 10 HB3 GLN 10 15.404 -4.854 -3.508 81 1HG GLN 10 HG2 GLN 10 16.820 -5.056 -5.292 82 2HG GLN 10 HG3 GLN 10 17.307 -3.497 -4.587 83 1HE2 GLN 10 2HE2 GLN 10 19.111 -4.452 -6.237 84 2HE2 GLN 10 1HE2 GLN 10 20.452 -5.217 -5.377 85 H PHE 11 H PHE 11 17.278 -3.905 0.127 86 HA PHE 11 HA PHE 11 15.081 -5.257 0.891 87 1HB PHE 11 HB2 PHE 11 15.691 -4.913 3.198 88 2HB PHE 11 HB3 PHE 11 17.197 -4.825 2.232 89 HD1 PHE 11 HD2 PHE 11 17.985 -2.386 1.541 90 HD2 PHE 11 HD1 PHE 11 15.297 -3.242 4.804 91 HE1 PHE 11 HE2 PHE 11 18.487 -0.203 2.500 92 HE2 PHE 11 HE1 PHE 11 15.855 -1.048 5.817 93 HZ PHE 11 HZ PHE 11 17.455 0.481 4.689 94 H LEU 12 H LEU 12 15.487 -1.872 0.716 95 HA LEU 12 HA LEU 12 13.057 -1.211 2.015 96 1HB LEU 12 HB2 LEU 12 13.641 0.712 2.335 97 2HB LEU 12 HB3 LEU 12 15.128 -0.096 2.600 98 HG LEU 12 HG LEU 12 15.679 1.989 1.733 99 1HD1 LEU 12 1HD1 LEU 12 15.516 0.162 -0.655 100 2HD1 LEU 12 2HD1 LEU 12 16.659 1.503 -0.424 101 3HD1 LEU 12 3HD1 LEU 12 16.730 0.071 0.637 102 1HD2 LEU 12 1HD2 LEU 12 13.406 2.628 1.053 103 2HD2 LEU 12 2HD2 LEU 12 14.635 3.093 -0.149 104 3HD2 LEU 12 3HD2 LEU 12 13.583 1.684 -0.426 105 H TYR 13 H TYR 13 13.997 -1.635 -1.022 106 HA TYR 13 HA TYR 13 11.640 -0.438 -2.339 107 1HB TYR 13 HB2 TYR 13 14.087 -1.947 -3.360 108 2HB TYR 13 HB3 TYR 13 12.871 -1.276 -4.398 109 HD1 TYR 13 HD2 TYR 13 12.256 1.357 -3.199 110 HD2 TYR 13 HD1 TYR 13 16.057 -0.619 -3.652 111 HE1 TYR 13 HE2 TYR 13 13.401 3.483 -2.785 112 HE2 TYR 13 HE1 TYR 13 17.201 1.564 -3.415 113 HH TYR 13 HH TYR 13 15.425 4.599 -2.822 114 H GLU 14 H GLU 14 12.654 -3.720 -1.341 115 HA GLU 14 HA GLU 14 10.259 -5.040 -2.455 116 1HB GLU 14 HB2 GLU 14 11.814 -5.888 -0.053 117 2HB GLU 14 HB3 GLU 14 10.664 -6.851 -0.976 118 1HG GLU 14 HG2 GLU 14 12.225 -6.579 -2.975 119 2HG GLU 14 HG3 GLU 14 13.377 -5.871 -1.815 120 H ALA 15 H ALA 15 11.191 -3.562 0.564 121 HA ALA 15 HA ALA 15 9.260 -3.941 2.362 122 1HB ALA 15 HB1 ALA 15 9.768 -1.609 3.120 123 2HB ALA 15 HB2 ALA 15 11.262 -2.362 2.495 124 3HB ALA 15 HB3 ALA 15 10.325 -1.230 1.491 125 H SER 16 H SER 16 9.077 -1.763 -0.333 126 HA SER 16 HA SER 16 6.895 -0.173 0.054 127 1HB SER 16 HB2 SER 16 8.451 -1.371 -2.208 128 2HB SER 16 HB3 SER 16 7.053 -0.364 -2.621 129 HG SER 16 HG SER 16 8.282 1.241 -2.331 130 H ILE 17 H ILE 17 6.932 -3.493 -1.053 131 HA ILE 17 HA ILE 17 4.020 -3.561 -1.781 132 HB ILE 17 HB ILE 17 6.537 -4.720 -2.981 133 1HG1 ILE 17 2HG1 ILE 17 5.326 -4.119 -5.140 134 2HG1 ILE 17 3HG1 ILE 17 4.069 -3.365 -4.198 135 1HG2 ILE 17 1HG2 ILE 17 5.241 -6.748 -2.760 136 2HG2 ILE 17 2HG2 ILE 17 3.812 -5.965 -3.471 137 3HG2 ILE 17 3HG2 ILE 17 5.275 -6.244 -4.437 138 1HD1 ILE 17 1HD1 ILE 17 5.434 -1.577 -3.593 139 2HD1 ILE 17 2HD1 ILE 17 6.952 -2.526 -3.828 140 3HD1 ILE 17 3HD1 ILE 17 6.014 -1.952 -5.209 141 H ASP 18 H ASP 18 5.923 -4.300 0.694 142 HA ASP 18 HA ASP 18 5.615 -7.177 1.046 143 1HB ASP 18 HB2 ASP 18 7.648 -5.907 1.690 144 2HB ASP 18 HB3 ASP 18 6.726 -5.075 2.936 145 H GLU 19 H GLU 19 3.865 -4.412 2.119 146 HA GLU 19 HA GLU 19 1.971 -6.151 3.667 147 1HB GLU 19 HB2 GLU 19 2.751 -3.321 4.424 148 2HB GLU 19 HB3 GLU 19 1.426 -4.262 5.130 149 1HG GLU 19 HG2 GLU 19 3.084 -5.992 5.866 150 2HG GLU 19 HG3 GLU 19 4.392 -4.955 5.246 151 H PHE 20 H PHE 20 2.128 -2.837 2.238 152 HA PHE 20 HA PHE 20 -0.597 -2.429 2.173 153 1HB PHE 20 HB2 PHE 20 1.433 -1.538 0.025 154 2HB PHE 20 HB3 PHE 20 -0.186 -0.854 0.209 155 HD1 PHE 20 HD2 PHE 20 3.227 -1.063 1.700 156 HD2 PHE 20 HD1 PHE 20 -0.623 0.894 1.749 157 HE1 PHE 20 HE2 PHE 20 4.179 0.754 3.040 158 HE2 PHE 20 HE1 PHE 20 0.330 2.733 3.092 159 HZ PHE 20 HZ PHE 20 2.745 2.687 3.745 160 H MET 21 H MET 21 1.238 -3.787 -0.567 161 HA MET 21 HA MET 21 -0.873 -3.835 -2.488 162 1HB MET 21 HB2 MET 21 1.648 -5.487 -2.139 163 2HB MET 21 HB3 MET 21 0.514 -5.895 -3.424 164 1HG MET 21 HG2 MET 21 1.830 -3.211 -3.017 165 2HG MET 21 HG3 MET 21 2.277 -4.441 -4.220 166 1HE MET 21 HE1 MET 21 0.156 -5.450 -5.803 167 2HE MET 21 HE2 MET 21 -1.264 -5.017 -4.809 168 3HE MET 21 HE3 MET 21 -1.130 -4.393 -6.442 169 H GLY 22 H GLY 22 -0.057 -6.263 -0.034 170 1HA GLY 22 HA2 GLY 22 -2.218 -8.023 -0.874 171 2HA GLY 22 HA3 GLY 22 -1.203 -8.213 0.602 172 H LYS 23 H LYS 23 -1.902 -5.228 1.309 173 HA LYS 23 HA LYS 23 -4.079 -5.920 2.958 174 1HB LYS 23 HB2 LYS 23 -3.176 -4.499 4.294 175 2HB LYS 23 HB3 LYS 23 -1.835 -4.402 3.205 176 1HG LYS 23 HG2 LYS 23 -2.854 -2.514 2.103 177 2HG LYS 23 HG3 LYS 23 -4.204 -2.672 3.157 178 1HD LYS 23 HD2 LYS 23 -1.407 -2.314 4.195 179 2HD LYS 23 HD3 LYS 23 -2.512 -0.918 3.953 180 1HE LYS 23 HE2 LYS 23 -4.066 -1.949 5.627 181 2HE LYS 23 HE3 LYS 23 -2.961 -3.320 5.719 182 1HZ LYS 23 HZ1 LYS 23 -2.667 -1.817 7.569 183 2HZ LYS 23 HZ2 LYS 23 -1.299 -1.845 6.672 184 3HZ LYS 23 HZ3 LYS 23 -2.320 -0.561 6.578 185 H ILE 24 H ILE 24 -3.434 -3.917 0.159 186 HA ILE 24 HA ILE 24 -6.198 -3.170 -0.345 187 HB ILE 24 HB ILE 24 -5.241 -2.612 -2.653 188 1HG1 ILE 24 2HG1 ILE 24 -2.725 -3.463 -1.717 189 2HG1 ILE 24 3HG1 ILE 24 -3.588 -3.573 -3.263 190 1HG2 ILE 24 1HG2 ILE 24 -5.728 -1.122 -0.540 191 2HG2 ILE 24 2HG2 ILE 24 -3.963 -1.143 -0.340 192 3HG2 ILE 24 3HG2 ILE 24 -4.730 -0.519 -1.819 193 1HD1 ILE 24 1HD1 ILE 24 -3.479 -1.314 -3.644 194 2HD1 ILE 24 2HD1 ILE 24 -2.381 -1.115 -2.202 195 3HD1 ILE 24 3HD1 ILE 24 -1.886 -2.107 -3.598 196 H ALA 25 H ALA 25 -4.116 -5.703 -1.787 197 HA ALA 25 HA ALA 25 -6.087 -6.495 -3.656 198 1HB ALA 25 HB1 ALA 25 -3.856 -8.183 -2.438 199 2HB ALA 25 HB2 ALA 25 -4.803 -8.610 -3.875 200 3HB ALA 25 HB3 ALA 25 -3.763 -7.181 -3.918 201 H SER 26 H SER 26 -5.736 -7.020 -0.281 202 HA SER 26 HA SER 26 -7.966 -8.926 -0.139 203 1HB SER 26 HB2 SER 26 -5.884 -9.697 0.936 204 2HB SER 26 HB3 SER 26 -5.898 -8.241 1.959 205 HG SER 26 HG SER 26 -8.032 -8.891 2.574 206 H CYS 27 H CYS 27 -8.020 -5.665 -0.296 207 HA CYS 27 HA CYS 27 -8.680 -4.986 2.288 208 1HB CYS 27 HB2 CYS 27 -9.364 -2.903 1.413 209 2HB CYS 27 HB3 CYS 27 -7.932 -3.465 0.534 210 HG CYS 27 HG CYS 27 -8.824 -4.197 -1.563 211 H GLN 28 H GLN 28 -10.674 -6.365 -0.141 212 HA GLN 28 HA GLN 28 -12.724 -7.240 -0.355 213 1HB GLN 28 HB2 GLN 28 -12.740 -7.028 2.674 214 2HB GLN 28 HB3 GLN 28 -13.925 -7.956 1.762 215 1HG GLN 28 HG2 GLN 28 -12.406 -9.614 1.164 216 2HG GLN 28 HG3 GLN 28 -11.004 -8.554 1.367 217 1HE2 GLN 28 1HE2 GLN 28 -10.276 -8.001 3.473 218 2HE2 GLN 28 2HE2 GLN 28 -10.791 -8.908 4.900 219 H THR 29 H THR 29 -12.528 -4.104 0.579 220 HA THR 29 HA THR 29 -15.396 -3.449 0.203 221 HB THR 29 HB THR 29 -15.172 -1.964 2.260 222 HG1 THR 29 HG1 THR 29 -12.994 -3.688 2.720 223 1HG2 THR 29 1HG2 THR 29 -16.614 -4.039 2.230 224 2HG2 THR 29 2HG2 THR 29 -15.249 -4.952 2.899 225 3HG2 THR 29 3HG2 THR 29 -15.972 -3.649 3.839 226 H LEU 30 H LEU 30 -15.595 -1.294 -0.543 227 HA LEU 30 HA LEU 30 -13.053 -0.197 -1.566 228 1HB LEU 30 HB2 LEU 30 -15.419 0.051 -2.754 229 2HB LEU 30 HB3 LEU 30 -15.678 1.229 -1.482 230 HG LEU 30 HG LEU 30 -12.991 1.754 -2.266 231 1HD1 LEU 30 1HD1 LEU 30 -13.297 2.186 -4.679 232 2HD1 LEU 30 2HD1 LEU 30 -12.800 0.626 -4.047 233 3HD1 LEU 30 3HD1 LEU 30 -14.466 0.909 -4.597 234 1HD2 LEU 30 1HD2 LEU 30 -13.760 3.709 -3.182 235 2HD2 LEU 30 2HD2 LEU 30 -15.444 3.009 -3.255 236 3HD2 LEU 30 3HD2 LEU 30 -14.633 3.250 -1.625 237 H GLU 31 H GLU 31 -15.497 0.276 0.835 238 HA GLU 31 HA GLU 31 -14.747 2.732 1.838 239 1HB GLU 31 HB2 GLU 31 -16.799 1.029 2.056 240 2HB GLU 31 HB3 GLU 31 -15.914 0.369 3.441 241 1HG GLU 31 HG2 GLU 31 -15.766 2.537 4.310 242 2HG GLU 31 HG3 GLU 31 -16.825 3.261 3.087 243 H GLY 32 H GLY 32 -13.618 -0.469 2.516 244 1HA GLY 32 HA2 GLY 32 -11.682 0.464 4.472 245 2HA GLY 32 HA3 GLY 32 -11.752 -1.206 3.803 246 H LEU 33 H LEU 33 -11.500 -0.376 1.040 247 HA LEU 33 HA LEU 33 -8.712 -0.030 0.737 248 1HB LEU 33 HB2 LEU 33 -10.406 -0.852 -0.895 249 2HB LEU 33 HB3 LEU 33 -11.156 0.630 -1.019 250 HG LEU 33 HG LEU 33 -9.377 1.711 -2.225 251 1HD1 LEU 33 1HD1 LEU 33 -7.746 -0.762 -1.649 252 2HD1 LEU 33 2HD1 LEU 33 -7.391 0.432 -2.918 253 3HD1 LEU 33 3HD1 LEU 33 -7.377 0.952 -1.234 254 1HD2 LEU 33 1HD2 LEU 33 -9.335 0.396 -4.143 255 2HD2 LEU 33 2HD2 LEU 33 -9.519 -1.108 -3.227 256 3HD2 LEU 33 3HD2 LEU 33 -10.876 0.034 -3.361 257 H GLU 34 H GLU 34 -11.214 2.286 0.472 258 HA GLU 34 HA GLU 34 -9.920 4.744 0.175 259 1HB GLU 34 HB2 GLU 34 -12.424 3.724 1.365 260 2HB GLU 34 HB3 GLU 34 -12.084 5.476 1.503 261 1HG GLU 34 HG2 GLU 34 -12.172 3.938 -1.174 262 2HG GLU 34 HG3 GLU 34 -13.496 4.781 -0.381 263 H GLU 35 H GLU 35 -10.450 2.814 3.052 264 HA GLU 35 HA GLU 35 -9.414 4.802 5.015 265 1HB GLU 35 HB2 GLU 35 -9.979 1.846 5.417 266 2HB GLU 35 HB3 GLU 35 -9.329 2.912 6.632 267 1HG GLU 35 HG2 GLU 35 -11.824 3.823 5.296 268 2HG GLU 35 HG3 GLU 35 -11.964 2.375 6.329 269 H LEU 36 H LEU 36 -8.310 1.816 3.447 270 HA LEU 36 HA LEU 36 -5.636 1.933 4.232 271 1HB LEU 36 HB2 LEU 36 -6.222 0.933 1.466 272 2HB LEU 36 HB3 LEU 36 -4.913 0.572 2.528 273 HG LEU 36 HG LEU 36 -7.713 -0.229 3.216 274 1HD1 LEU 36 1HD1 LEU 36 -5.531 -1.725 1.761 275 2HD1 LEU 36 2HD1 LEU 36 -6.952 -2.498 2.530 276 3HD1 LEU 36 3HD1 LEU 36 -7.160 -1.375 1.179 277 1HD2 LEU 36 1HD2 LEU 36 -6.367 -0.071 5.082 278 2HD2 LEU 36 2HD2 LEU 36 -6.425 -1.803 4.645 279 3HD2 LEU 36 3HD2 LEU 36 -4.999 -0.800 4.201 280 H GLU 37 H GLU 37 -7.279 3.572 1.481 281 HA GLU 37 HA GLU 37 -5.157 4.721 0.401 282 1HB GLU 37 HB2 GLU 37 -7.521 4.635 -0.337 283 2HB GLU 37 HB3 GLU 37 -7.904 6.093 0.493 284 1HG GLU 37 HG2 GLU 37 -5.618 5.796 -1.470 285 2HG GLU 37 HG3 GLU 37 -7.271 6.032 -2.088 286 H ALA 38 H ALA 38 -7.384 6.023 2.826 287 HA ALA 38 HA ALA 38 -5.981 8.389 3.276 288 1HB ALA 38 HB1 ALA 38 -8.267 8.053 4.112 289 2HB ALA 38 HB2 ALA 38 -7.703 6.764 5.210 290 3HB ALA 38 HB3 ALA 38 -7.189 8.436 5.486 291 H TYR 39 H TYR 39 -5.692 5.162 4.926 292 HA TYR 39 HA TYR 39 -3.773 5.927 6.792 293 1HB TYR 39 HB2 TYR 39 -4.467 3.886 7.430 294 2HB TYR 39 HB3 TYR 39 -4.830 3.401 5.776 295 HD1 TYR 39 HD1 TYR 39 -3.376 2.197 4.380 296 HD2 TYR 39 HD2 TYR 39 -2.072 3.444 8.302 297 HE1 TYR 39 HE1 TYR 39 -1.305 0.999 4.046 298 HE2 TYR 39 HE2 TYR 39 -0.006 2.093 8.025 299 HH TYR 39 HH TYR 39 0.812 0.540 4.917 300 H TYR 40 H TYR 40 -3.314 4.843 3.436 301 HA TYR 40 HA TYR 40 -0.468 4.818 3.214 302 1HB TYR 40 HB2 TYR 40 -1.676 4.010 1.339 303 2HB TYR 40 HB3 TYR 40 -2.850 5.304 1.439 304 HD1 TYR 40 HD1 TYR 40 0.890 5.285 0.712 305 HD2 TYR 40 HD2 TYR 40 -3.091 6.552 -0.357 306 HE1 TYR 40 HE1 TYR 40 1.791 6.698 -1.122 307 HE2 TYR 40 HE2 TYR 40 -2.164 8.026 -2.090 308 HH TYR 40 HH TYR 40 1.300 8.069 -2.927 309 H LYS 41 H LYS 41 -2.785 7.504 2.477 310 HA LYS 41 HA LYS 41 -0.830 9.492 2.165 311 1HB LYS 41 HB2 LYS 41 -3.615 9.814 3.189 312 2HB LYS 41 HB3 LYS 41 -2.612 11.103 2.540 313 1HG LYS 41 HG2 LYS 41 -2.673 8.770 0.727 314 2HG LYS 41 HG3 LYS 41 -4.264 9.330 1.123 315 1HD LYS 41 HD2 LYS 41 -3.405 10.318 -0.907 316 2HD LYS 41 HD3 LYS 41 -3.549 11.638 0.272 317 1HE LYS 41 HE2 LYS 41 -1.014 10.116 0.300 318 2HE LYS 41 HE3 LYS 41 -1.301 10.912 -1.260 319 1HZ LYS 41 HZ1 LYS 41 -1.244 12.342 1.328 320 2HZ LYS 41 HZ2 LYS 41 -0.069 12.373 0.184 321 3HZ LYS 41 HZ3 LYS 41 -1.519 13.022 -0.134 322 H LYS 42 H LYS 42 -2.377 8.427 5.215 323 HA LYS 42 HA LYS 42 -1.463 10.358 7.030 324 1HB LYS 42 HB2 LYS 42 -2.545 7.532 7.034 325 2HB LYS 42 HB3 LYS 42 -2.263 8.331 8.503 326 1HG LYS 42 HG2 LYS 42 -4.082 9.494 6.403 327 2HG LYS 42 HG3 LYS 42 -4.642 8.357 7.646 328 1HD LYS 42 HD2 LYS 42 -4.113 10.008 9.396 329 2HD LYS 42 HD3 LYS 42 -3.383 11.068 8.147 330 1HE LYS 42 HE2 LYS 42 -5.610 10.825 6.888 331 2HE LYS 42 HE3 LYS 42 -6.293 10.152 8.371 332 1HZ LYS 42 HZ1 LYS 42 -5.732 12.195 9.523 333 2HZ LYS 42 HZ2 LYS 42 -5.112 12.853 8.153 334 3HZ LYS 42 HZ3 LYS 42 -6.710 12.516 8.256 335 H ARG 43 H ARG 43 -0.136 7.089 6.104 336 HA ARG 43 HA ARG 43 2.037 7.318 7.992 337 1HB ARG 43 HB2 ARG 43 1.044 5.173 7.046 338 2HB ARG 43 HB3 ARG 43 1.971 5.511 5.567 339 1HG ARG 43 HG2 ARG 43 4.022 5.704 7.170 340 2HG ARG 43 HG3 ARG 43 2.969 5.022 8.414 341 1HD ARG 43 HD2 ARG 43 2.572 3.013 6.989 342 2HD ARG 43 HD3 ARG 43 3.603 3.710 5.738 343 HE ARG 43 HE ARG 43 5.511 3.191 6.942 344 1HH1 ARG 43 1HH1 ARG 43 2.767 2.503 9.030 345 2HH1 ARG 43 2HH1 ARG 43 3.753 1.591 10.152 346 1HH2 ARG 43 1HH2 ARG 43 6.686 2.028 8.426 347 2HH2 ARG 43 2HH2 ARG 43 5.890 1.323 9.813 348 H VAL 44 H VAL 44 1.769 8.130 4.514 349 HA VAL 44 HA VAL 44 4.426 8.095 3.923 350 HB VAL 44 HB VAL 44 1.858 9.361 2.917 351 1HG1 VAL 44 1HG1 VAL 44 4.489 9.723 1.498 352 2HG1 VAL 44 2HG1 VAL 44 2.848 9.940 0.800 353 3HG1 VAL 44 3HG1 VAL 44 3.390 10.992 2.133 354 1HG2 VAL 44 1HG2 VAL 44 2.393 6.945 2.830 355 2HG2 VAL 44 2HG2 VAL 44 2.326 7.635 1.187 356 3HG2 VAL 44 3HG2 VAL 44 3.872 7.313 2.034 357 H LYS 45 H LYS 45 2.589 10.814 5.156 358 HA LYS 45 HA LYS 45 4.614 12.758 5.115 359 1HB LYS 45 HB2 LYS 45 3.104 13.895 6.748 360 2HB LYS 45 HB3 LYS 45 2.161 12.970 5.530 361 1HG LYS 45 HG2 LYS 45 2.191 11.097 7.236 362 2HG LYS 45 HG3 LYS 45 2.944 12.289 8.327 363 1HD LYS 45 HD2 LYS 45 0.868 13.756 8.067 364 2HD LYS 45 HD3 LYS 45 0.079 12.302 7.353 365 1HE LYS 45 HE2 LYS 45 1.265 11.048 9.275 366 2HE LYS 45 HE3 LYS 45 1.482 12.606 10.055 367 1HZ LYS 45 HZ1 LYS 45 -0.926 12.930 10.030 368 2HZ LYS 45 HZ2 LYS 45 -1.140 11.414 9.421 369 3HZ LYS 45 HZ3 LYS 45 -0.488 11.616 10.907 370 H GLU 46 H GLU 46 4.064 10.095 7.222 371 HA GLU 46 HA GLU 46 5.404 10.964 9.666 372 1HB GLU 46 HB2 GLU 46 3.209 9.632 9.318 373 2HB GLU 46 HB3 GLU 46 4.334 8.277 9.158 374 1HG GLU 46 HG2 GLU 46 3.536 8.487 11.405 375 2HG GLU 46 HG3 GLU 46 5.275 8.687 11.310 376 H THR 47 H THR 47 6.208 9.421 6.801 377 HA THR 47 HA THR 47 8.918 9.043 7.850 378 HB THR 47 HB THR 47 8.433 6.823 8.105 379 HG1 THR 47 HG1 THR 47 9.559 5.756 6.632 380 1HG2 THR 47 1HG2 THR 47 6.802 6.824 5.540 381 2HG2 THR 47 2HG2 THR 47 7.239 5.364 6.467 382 3HG2 THR 47 3HG2 THR 47 6.230 6.615 7.206 383 H GLU 48 H GLU 48 8.026 7.903 4.627 384 HA GLU 48 HA GLU 48 8.021 10.480 3.454 385 1HB GLU 48 HB2 GLU 48 9.906 10.111 1.797 386 2HB GLU 48 HB3 GLU 48 10.270 10.767 3.395 387 1HG GLU 48 HG2 GLU 48 11.083 8.765 4.215 388 2HG GLU 48 HG3 GLU 48 10.151 7.855 3.025 389 H LEU 49 H LEU 49 8.113 7.176 2.988 390 HA LEU 49 HA LEU 49 8.044 5.749 1.280 391 1HB LEU 49 HB2 LEU 49 6.295 5.253 0.374 392 2HB LEU 49 HB3 LEU 49 5.644 6.241 1.606 393 HG LEU 49 HG LEU 49 4.526 7.567 0.118 394 1HD1 LEU 49 1HD1 LEU 49 6.424 7.342 -2.167 395 2HD1 LEU 49 2HD1 LEU 49 4.959 8.301 -1.994 396 3HD1 LEU 49 3HD1 LEU 49 6.342 8.692 -0.982 397 1HD2 LEU 49 1HD2 LEU 49 3.997 5.219 -0.312 398 2HD2 LEU 49 2HD2 LEU 49 3.791 6.213 -1.774 399 3HD2 LEU 49 3HD2 LEU 49 5.235 5.214 -1.599 400 H LYS 50 H LYS 50 8.179 5.354 -1.014 401 HA LYS 50 HA LYS 50 9.917 7.404 -2.346 402 1HB LYS 50 HB2 LYS 50 11.518 5.797 -2.933 403 2HB LYS 50 HB3 LYS 50 11.277 5.585 -1.252 404 1HG LYS 50 HG2 LYS 50 9.488 3.775 -2.658 405 2HG LYS 50 HG3 LYS 50 11.098 3.675 -3.356 406 1HD LYS 50 HD2 LYS 50 10.926 2.050 -1.543 407 2HD LYS 50 HD3 LYS 50 12.035 3.384 -1.105 408 1HE LYS 50 HE2 LYS 50 10.203 4.502 0.100 409 2HE LYS 50 HE3 LYS 50 9.154 3.101 -0.259 410 1HZ LYS 50 HZ1 LYS 50 11.468 3.066 1.521 411 2HZ LYS 50 HZ2 LYS 50 9.906 2.730 1.878 412 3HZ LYS 50 HZ3 LYS 50 10.768 1.695 0.916 413 H ASP 51 H ASP 51 10.224 6.632 -4.735 414 HA ASP 51 HA ASP 51 7.623 6.838 -5.963 415 1HB ASP 51 HB2 ASP 51 10.138 5.648 -7.167 416 2HB ASP 51 HB3 ASP 51 8.717 6.207 -8.073 417 H THR 52 H THR 52 9.680 4.079 -5.282 418 HA THR 52 HA THR 52 8.419 2.079 -6.747 419 HB THR 52 HB THR 52 9.706 2.000 -4.017 420 HG1 THR 52 HG1 THR 52 11.657 1.560 -5.305 421 1HG2 THR 52 1HG2 THR 52 10.621 -0.268 -4.662 422 2HG2 THR 52 2HG2 THR 52 8.872 -0.249 -4.474 423 3HG2 THR 52 3HG2 THR 52 9.581 -0.230 -6.107 424 H ASP 53 H ASP 53 7.537 3.079 -3.299 425 HA ASP 53 HA ASP 53 5.563 0.902 -3.223 426 1HB ASP 53 HB2 ASP 53 4.725 2.918 -1.374 427 2HB ASP 53 HB3 ASP 53 5.300 1.282 -1.093 428 H ASP 54 H ASP 54 5.656 4.346 -3.835 429 HA ASP 54 HA ASP 54 2.888 4.902 -3.603 430 1HB ASP 54 HB2 ASP 54 5.082 6.376 -3.763 431 2HB ASP 54 HB3 ASP 54 4.908 6.263 -5.476 432 H ILE 55 H ILE 55 4.616 3.872 -6.373 433 HA ILE 55 HA ILE 55 2.444 4.511 -8.320 434 HB ILE 55 HB ILE 55 4.613 2.742 -9.325 435 1HG1 ILE 55 2HG1 ILE 55 5.705 5.384 -9.711 436 2HG1 ILE 55 3HG1 ILE 55 5.440 5.157 -8.023 437 1HG2 ILE 55 1HG2 ILE 55 3.282 5.231 -10.447 438 2HG2 ILE 55 2HG2 ILE 55 4.334 4.097 -11.333 439 3HG2 ILE 55 3HG2 ILE 55 2.772 3.542 -10.716 440 1HD1 ILE 55 1HD1 ILE 55 6.878 3.167 -9.880 441 2HD1 ILE 55 2HD1 ILE 55 7.667 4.194 -8.676 442 3HD1 ILE 55 3HD1 ILE 55 6.576 2.874 -8.153 443 H SER 56 H SER 56 4.135 1.734 -6.862 444 HA SER 56 HA SER 56 2.749 -0.278 -8.356 445 1HB SER 56 HB2 SER 56 4.653 -0.131 -6.229 446 2HB SER 56 HB3 SER 56 3.312 -1.019 -5.536 447 HG SER 56 HG SER 56 3.464 -2.498 -7.305 448 H VAL 57 H VAL 57 2.283 1.264 -5.225 449 HA VAL 57 HA VAL 57 -0.028 -0.269 -4.452 450 HB VAL 57 HB VAL 57 -0.161 1.264 -2.793 451 1HG1 VAL 57 1HG1 VAL 57 1.542 0.805 -1.333 452 2HG1 VAL 57 2HG1 VAL 57 1.130 -0.595 -2.335 453 3HG1 VAL 57 3HG1 VAL 57 2.613 0.362 -2.711 454 1HG2 VAL 57 1HG2 VAL 57 0.065 3.280 -3.183 455 2HG2 VAL 57 2HG2 VAL 57 1.482 2.981 -2.140 456 3HG2 VAL 57 3HG2 VAL 57 1.646 3.054 -3.917 457 H ARG 58 H ARG 58 0.439 3.240 -5.553 458 HA ARG 58 HA ARG 58 -2.316 3.597 -5.365 459 1HB ARG 58 HB2 ARG 58 -0.371 5.273 -6.033 460 2HB ARG 58 HB3 ARG 58 -0.990 5.055 -7.627 461 1HG ARG 58 HG2 ARG 58 -2.107 6.881 -6.664 462 2HG ARG 58 HG3 ARG 58 -3.306 5.594 -6.603 463 1HD ARG 58 HD2 ARG 58 -2.888 5.269 -4.211 464 2HD ARG 58 HD3 ARG 58 -1.502 6.349 -4.237 465 HE ARG 58 HE ARG 58 -4.268 7.037 -3.870 466 1HH1 ARG 58 1HH1 ARG 58 -1.428 8.446 -5.401 467 2HH1 ARG 58 2HH1 ARG 58 -2.051 10.068 -5.209 468 1HH2 ARG 58 1HH2 ARG 58 -4.818 9.078 -3.422 469 2HH2 ARG 58 2HH2 ARG 58 -3.954 10.418 -4.164 470 H ASP 59 H ASP 59 -0.435 2.381 -8.057 471 HA ASP 59 HA ASP 59 -2.620 2.641 -9.899 472 1HB ASP 59 HB2 ASP 59 -0.267 2.385 -10.520 473 2HB ASP 59 HB3 ASP 59 -0.297 0.691 -9.989 474 H ALA 60 H ALA 60 -1.962 0.419 -7.496 475 HA ALA 60 HA ALA 60 -3.519 -1.917 -8.297 476 1HB ALA 60 HB1 ALA 60 -1.318 -2.311 -7.243 477 2HB ALA 60 HB2 ALA 60 -1.684 -1.216 -5.902 478 3HB ALA 60 HB3 ALA 60 -2.592 -2.746 -6.058 479 H LEU 61 H LEU 61 -3.323 0.483 -5.737 480 HA LEU 61 HA LEU 61 -5.599 -0.136 -4.257 481 1HB LEU 61 HB2 LEU 61 -3.389 0.948 -3.774 482 2HB LEU 61 HB3 LEU 61 -3.953 2.408 -4.626 483 HG LEU 61 HG LEU 61 -5.552 1.320 -2.481 484 1HD1 LEU 61 1HD1 LEU 61 -4.102 2.098 -0.654 485 2HD1 LEU 61 2HD1 LEU 61 -3.226 0.928 -1.675 486 3HD1 LEU 61 3HD1 LEU 61 -2.897 2.651 -1.858 487 1HD2 LEU 61 1HD2 LEU 61 -5.904 3.559 -1.776 488 2HD2 LEU 61 2HD2 LEU 61 -4.654 4.166 -2.919 489 3HD2 LEU 61 3HD2 LEU 61 -6.169 3.449 -3.517 490 H ALA 62 H ALA 62 -4.887 2.642 -6.500 491 HA ALA 62 HA ALA 62 -7.643 3.138 -6.970 492 1HB ALA 62 HB1 ALA 62 -5.406 3.746 -8.920 493 2HB ALA 62 HB2 ALA 62 -6.996 4.508 -8.837 494 3HB ALA 62 HB3 ALA 62 -5.831 4.775 -7.520 495 H GLY 63 H GLY 63 -5.596 0.706 -8.098 496 1HA GLY 63 HA2 GLY 63 -6.537 -0.348 -10.498 497 2HA GLY 63 HA3 GLY 63 -5.792 -1.200 -9.205 498 H LYS 64 H LYS 64 -7.086 -1.065 -7.102 499 HA LYS 64 HA LYS 64 -9.319 -2.830 -7.405 500 1HB LYS 64 HB2 LYS 64 -7.326 -2.965 -5.760 501 2HB LYS 64 HB3 LYS 64 -8.182 -1.763 -4.838 502 1HG LYS 64 HG2 LYS 64 -9.497 -3.411 -3.951 503 2HG LYS 64 HG3 LYS 64 -10.087 -3.762 -5.547 504 1HD LYS 64 HD2 LYS 64 -7.506 -4.972 -4.505 505 2HD LYS 64 HD3 LYS 64 -9.101 -5.744 -4.343 506 1HE LYS 64 HE2 LYS 64 -9.385 -5.688 -6.797 507 2HE LYS 64 HE3 LYS 64 -7.783 -4.938 -6.972 508 1HZ LYS 64 HZ1 LYS 64 -6.813 -6.943 -6.053 509 2HZ LYS 64 HZ2 LYS 64 -8.300 -7.624 -5.857 510 3HZ LYS 64 HZ3 LYS 64 -7.734 -7.311 -7.354 511 H ARG 65 H ARG 65 -8.959 0.548 -6.604 512 HA ARG 65 HA ARG 65 -11.302 0.969 -5.303 513 1HB ARG 65 HB2 ARG 65 -9.303 2.437 -5.916 514 2HB ARG 65 HB3 ARG 65 -10.269 2.998 -7.259 515 1HG ARG 65 HG2 ARG 65 -11.684 4.275 -5.812 516 2HG ARG 65 HG3 ARG 65 -11.561 3.081 -4.574 517 1HD ARG 65 HD2 ARG 65 -9.332 3.695 -3.950 518 2HD ARG 65 HD3 ARG 65 -9.068 4.560 -5.446 519 HE ARG 65 HE ARG 65 -10.376 5.590 -3.028 520 1HH1 ARG 65 1HH1 ARG 65 -10.030 6.283 -6.471 521 2HH1 ARG 65 2HH1 ARG 65 -10.502 7.941 -6.220 522 1HH2 ARG 65 1HH2 ARG 65 -10.907 7.574 -2.822 523 2HH2 ARG 65 2HH2 ARG 65 -10.969 8.703 -4.178 524 H ALA 66 H ALA 66 -10.731 0.953 -8.778 525 HA ALA 66 HA ALA 66 -13.424 1.643 -9.592 526 1HB ALA 66 HB1 ALA 66 -11.567 1.754 -11.173 527 2HB ALA 66 HB2 ALA 66 -11.364 -0.032 -11.041 528 3HB ALA 66 HB3 ALA 66 -12.860 0.637 -11.726 529 H GLU 67 H GLU 67 -11.945 -1.402 -8.541 530 HA GLU 67 HA GLU 67 -13.819 -3.289 -9.735 531 1HB GLU 67 HB2 GLU 67 -12.002 -3.583 -7.348 532 2HB GLU 67 HB3 GLU 67 -12.736 -4.864 -8.295 533 1HG GLU 67 HG2 GLU 67 -10.649 -2.846 -9.315 534 2HG GLU 67 HG3 GLU 67 -10.401 -4.398 -8.571 535 H LEU 68 H LEU 68 -13.202 -1.550 -6.826 536 HA LEU 68 HA LEU 68 -15.015 -3.028 -5.121 537 1HB LEU 68 HB2 LEU 68 -12.801 -1.211 -4.832 538 2HB LEU 68 HB3 LEU 68 -14.034 -1.215 -3.536 539 HG LEU 68 HG LEU 68 -12.529 -3.650 -4.626 540 1HD1 LEU 68 1HD1 LEU 68 -11.596 -3.615 -2.558 541 2HD1 LEU 68 2HD1 LEU 68 -11.307 -2.147 -3.537 542 3HD1 LEU 68 3HD1 LEU 68 -12.440 -2.069 -2.139 543 1HD2 LEU 68 1HD2 LEU 68 -14.824 -4.284 -3.496 544 2HD2 LEU 68 2HD2 LEU 68 -13.492 -4.585 -2.362 545 3HD2 LEU 68 3HD2 LEU 68 -14.428 -3.077 -2.244 546 H GLU 69 H GLU 69 -14.848 -0.014 -6.760 547 HA GLU 69 HA GLU 69 -17.205 1.269 -5.841 548 1HB GLU 69 HB2 GLU 69 -15.026 1.424 -7.926 549 2HB GLU 69 HB3 GLU 69 -16.382 2.070 -8.368 550 1HG GLU 69 HG2 GLU 69 -16.302 3.547 -6.144 551 2HG GLU 69 HG3 GLU 69 -14.703 2.862 -5.998 552 H ASP 70 H ASP 70 -16.303 -0.925 -8.377 553 HA ASP 70 HA ASP 70 -19.010 -1.267 -9.546 554 1HB ASP 70 HB2 ASP 70 -16.319 -2.580 -9.960 555 2HB ASP 70 HB3 ASP 70 -17.750 -3.422 -10.444 556 H SER 71 H SER 71 -17.293 -2.198 -6.769 557 HA SER 71 HA SER 71 -19.421 -4.210 -6.101 558 1HB SER 71 HB2 SER 71 -16.932 -4.809 -6.109 559 2HB SER 71 HB3 SER 71 -16.815 -3.934 -4.570 560 HG SER 71 HG SER 71 -17.242 -6.234 -4.395 561 H ASP 72 H ASP 72 -19.611 -1.215 -5.869 562 HA ASP 72 HA ASP 72 -19.178 -0.134 -3.391 563 1HB ASP 72 HB2 ASP 72 -19.711 1.164 -5.318 564 2HB ASP 72 HB3 ASP 72 -21.354 0.503 -5.386 565 H ASP 73 H ASP 73 -21.720 -2.363 -4.125 566 HA ASP 73 HA ASP 73 -23.669 -1.434 -2.236 567 1HB ASP 73 HB2 ASP 73 -24.195 -2.698 -4.305 568 2HB ASP 73 HB3 ASP 73 -23.530 -4.132 -3.509 569 H GLU 74 H GLU 74 -21.066 -3.365 -1.832 570 HA GLU 74 HA GLU 74 -20.267 -4.881 -0.257 571 1HB GLU 74 HB2 GLU 74 -20.888 -2.338 1.199 572 2HB GLU 74 HB3 GLU 74 -19.852 -3.624 1.893 573 1HG GLU 74 HG2 GLU 74 -18.368 -3.467 -0.086 574 2HG GLU 74 HG3 GLU 74 -19.331 -2.110 -0.693 575 H VAL 75 H VAL 75 -22.753 -5.643 -0.732 576 HA VAL 75 HA VAL 75 -23.032 -7.421 1.603 577 HB VAL 75 HB VAL 75 -25.478 -6.328 0.119 578 1HG1 VAL 75 1HG1 VAL 75 -25.260 -8.547 2.207 579 2HG1 VAL 75 2HG1 VAL 75 -26.783 -7.833 1.623 580 3HG1 VAL 75 3HG1 VAL 75 -25.753 -8.754 0.520 581 1HG2 VAL 75 1HG2 VAL 75 -24.689 -6.170 3.063 582 2HG2 VAL 75 2HG2 VAL 75 -24.769 -4.810 1.918 583 3HG2 VAL 75 3HG2 VAL 75 -26.248 -5.651 2.377 584 H GLU 76 H GLU 76 -22.997 -9.418 0.967 585 HA GLU 76 HA GLU 76 -22.810 -11.346 -0.071 586 1HB GLU 76 HB2 GLU 76 -24.629 -12.120 -1.198 587 2HB GLU 76 HB3 GLU 76 -25.246 -10.874 -0.166 588 1HG GLU 76 HG2 GLU 76 -25.527 -9.337 -2.011 589 2HG GLU 76 HG3 GLU 76 -24.624 -10.404 -3.098 590 H GLU 77 H GLU 77 -22.604 -8.851 -2.515 591 HA GLU 77 HA GLU 77 -21.011 -10.435 -4.434 592 1HB GLU 77 HB2 GLU 77 -21.226 -7.414 -4.191 593 2HB GLU 77 HB3 GLU 77 -20.540 -8.350 -5.542 594 1HG GLU 77 HG2 GLU 77 -22.846 -9.434 -5.783 595 2HG GLU 77 HG3 GLU 77 -23.418 -8.215 -4.627 596 H SER 78 H SER 78 -20.628 -8.311 -1.761 597 HA SER 78 HA SER 78 -18.129 -9.509 -1.039 598 1HB SER 78 HB2 SER 78 -17.145 -7.218 -0.378 599 2HB SER 78 HB3 SER 78 -17.135 -7.579 -2.110 600 HG SER 78 HG SER 78 -19.011 -6.297 -2.289 601 H PHE 79 H PHE 79 -17.840 -9.499 1.258 602 HA PHE 79 HA PHE 79 -19.983 -8.415 2.950 603 1HB PHE 79 HB2 PHE 79 -20.599 -10.694 3.745 604 2HB PHE 79 HB3 PHE 79 -21.087 -10.326 2.104 605 HD1 PHE 79 HD1 PHE 79 -18.768 -12.361 4.170 606 HD2 PHE 79 HD2 PHE 79 -20.191 -11.531 0.177 607 HE1 PHE 79 HE1 PHE 79 -17.718 -14.455 3.350 608 HE2 PHE 79 HE2 PHE 79 -19.110 -13.609 -0.630 609 HZ PHE 79 HZ PHE 79 -17.882 -15.078 0.947 Start of MODEL 17 1 1H GLY 1 H1 GLY 1 33.082 -13.735 4.602 2 2H GLY 1 H2 GLY 1 32.738 -15.272 4.153 3 3H GLY 1 H3 GLY 1 31.528 -14.254 4.576 4 1HA GLY 1 HA2 GLY 1 33.270 -13.969 2.203 5 2HA GLY 1 HA3 GLY 1 31.589 -14.513 2.176 6 H SER 2 H SER 2 30.591 -12.887 1.074 7 HA SER 2 HA SER 2 31.176 -10.128 1.156 8 1HB SER 2 HB2 SER 2 28.508 -11.477 0.557 9 2HB SER 2 HB3 SER 2 28.984 -9.840 0.085 10 HG SER 2 HG SER 2 29.292 -11.349 -1.607 11 H HIS 3 H HIS 3 30.112 -8.339 2.056 12 HA HIS 3 HA HIS 3 28.620 -8.794 4.618 13 1HB HIS 3 HB2 HIS 3 31.103 -8.466 4.810 14 2HB HIS 3 HB3 HIS 3 30.902 -6.856 4.124 15 HD2 HIS 3 HD2 HIS 3 30.722 -4.998 5.913 16 HE1 HIS 3 HE1 HIS 3 29.280 -7.263 9.225 17 HE2 HIS 3 HE2 HIS 3 30.048 -4.966 8.469 18 H MET 4 H MET 4 28.256 -7.328 1.661 19 HA MET 4 HA MET 4 26.203 -5.475 2.620 20 1HB MET 4 HB2 MET 4 27.053 -3.493 1.677 21 2HB MET 4 HB3 MET 4 28.264 -4.109 2.781 22 1HG MET 4 HG2 MET 4 28.347 -4.388 -0.256 23 2HG MET 4 HG3 MET 4 29.145 -3.153 0.698 24 1HE MET 4 HE1 MET 4 30.525 -4.969 -1.535 25 2HE MET 4 HE2 MET 4 31.356 -3.662 -0.652 26 3HE MET 4 HE3 MET 4 32.097 -5.272 -0.759 27 H LEU 5 H LEU 5 24.849 -4.642 1.011 28 HA LEU 5 HA LEU 5 24.380 -6.348 -1.323 29 1HB LEU 5 HB2 LEU 5 22.984 -3.914 -0.265 30 2HB LEU 5 HB3 LEU 5 22.464 -4.892 -1.637 31 HG LEU 5 HG LEU 5 22.768 -5.871 1.251 32 1HD1 LEU 5 1HD1 LEU 5 20.438 -5.457 -0.608 33 2HD1 LEU 5 2HD1 LEU 5 20.344 -6.088 1.070 34 3HD1 LEU 5 3HD1 LEU 5 20.896 -4.425 0.774 35 1HD2 LEU 5 1HD2 LEU 5 21.890 -7.405 -1.240 36 2HD2 LEU 5 2HD2 LEU 5 23.275 -7.787 -0.182 37 3HD2 LEU 5 3HD2 LEU 5 21.640 -7.951 0.432 38 H LEU 6 H LEU 6 26.051 -3.370 -0.773 39 HA LEU 6 HA LEU 6 26.945 -1.742 -1.975 40 1HB LEU 6 HB2 LEU 6 28.145 -3.872 -2.756 41 2HB LEU 6 HB3 LEU 6 27.231 -3.717 -4.249 42 HG LEU 6 HG LEU 6 28.329 -1.496 -4.664 43 1HD1 LEU 6 1HD1 LEU 6 29.880 -2.166 -2.124 44 2HD1 LEU 6 2HD1 LEU 6 30.331 -0.910 -3.297 45 3HD1 LEU 6 3HD1 LEU 6 28.827 -0.755 -2.392 46 1HD2 LEU 6 1HD2 LEU 6 29.287 -3.584 -5.552 47 2HD2 LEU 6 2HD2 LEU 6 30.540 -2.394 -5.165 48 3HD2 LEU 6 3HD2 LEU 6 30.254 -3.774 -4.069 49 H GLU 7 H GLU 7 24.044 -2.097 -2.211 50 HA GLU 7 HA GLU 7 23.500 0.056 -4.120 51 1HB GLU 7 HB2 GLU 7 23.229 -1.896 -5.575 52 2HB GLU 7 HB3 GLU 7 22.134 -2.641 -4.413 53 1HG GLU 7 HG2 GLU 7 20.908 -1.669 -6.298 54 2HG GLU 7 HG3 GLU 7 20.461 -0.871 -4.799 55 H PHE 8 H PHE 8 22.557 1.435 -2.827 56 HA PHE 8 HA PHE 8 21.461 0.778 -0.300 57 1HB PHE 8 HB2 PHE 8 21.172 3.368 -1.841 58 2HB PHE 8 HB3 PHE 8 20.992 3.161 -0.107 59 HD1 PHE 8 HD1 PHE 8 23.057 2.212 1.209 60 HD2 PHE 8 HD2 PHE 8 23.306 3.945 -2.728 61 HE1 PHE 8 HE1 PHE 8 25.493 2.585 1.527 62 HE2 PHE 8 HE2 PHE 8 25.736 4.342 -2.403 63 HZ PHE 8 HZ PHE 8 26.837 3.652 -0.283 64 H LYS 9 H LYS 9 19.807 0.910 -3.355 65 HA LYS 9 HA LYS 9 17.180 1.569 -2.300 66 1HB LYS 9 HB2 LYS 9 17.979 0.362 -4.972 67 2HB LYS 9 HB3 LYS 9 16.406 1.043 -4.558 68 1HG LYS 9 HG2 LYS 9 19.017 2.579 -4.820 69 2HG LYS 9 HG3 LYS 9 17.606 2.633 -5.887 70 1HD LYS 9 HD2 LYS 9 16.285 3.503 -3.852 71 2HD LYS 9 HD3 LYS 9 17.845 3.696 -3.032 72 1HE LYS 9 HE2 LYS 9 18.627 5.187 -4.840 73 2HE LYS 9 HE3 LYS 9 17.109 4.941 -5.712 74 1HZ LYS 9 HZ1 LYS 9 17.369 6.229 -3.071 75 2HZ LYS 9 HZ2 LYS 9 17.076 6.986 -4.488 76 3HZ LYS 9 HZ3 LYS 9 15.950 5.968 -3.865 77 H GLN 10 H GLN 10 18.776 -1.560 -2.766 78 HA GLN 10 HA GLN 10 16.538 -2.784 -3.838 79 1HB GLN 10 HB2 GLN 10 18.543 -4.441 -2.291 80 2HB GLN 10 HB3 GLN 10 17.570 -4.925 -3.682 81 1HG GLN 10 HG2 GLN 10 18.843 -3.232 -5.055 82 2HG GLN 10 HG3 GLN 10 19.830 -2.974 -3.597 83 1HE2 GLN 10 2HE2 GLN 10 20.388 -4.149 -6.409 84 2HE2 GLN 10 1HE2 GLN 10 21.262 -5.625 -5.990 85 H PHE 11 H PHE 11 17.590 -2.897 -0.518 86 HA PHE 11 HA PHE 11 15.671 -4.788 0.357 87 1HB PHE 11 HB2 PHE 11 16.352 -4.130 2.677 88 2HB PHE 11 HB3 PHE 11 17.637 -4.646 1.609 89 HD1 PHE 11 HD1 PHE 11 19.115 -2.931 0.448 90 HD2 PHE 11 HD2 PHE 11 16.595 -2.056 3.846 91 HE1 PHE 11 HE1 PHE 11 20.341 -0.851 0.791 92 HE2 PHE 11 HE2 PHE 11 17.918 -0.005 4.285 93 HZ PHE 11 HZ PHE 11 19.801 0.621 2.757 94 H LEU 12 H LEU 12 15.603 -1.317 -0.003 95 HA LEU 12 HA LEU 12 13.117 -0.803 1.468 96 1HB LEU 12 HB2 LEU 12 14.970 0.785 -0.295 97 2HB LEU 12 HB3 LEU 12 13.299 1.253 -0.180 98 HG LEU 12 HG LEU 12 13.724 1.000 2.459 99 1HD1 LEU 12 1HD1 LEU 12 16.462 1.776 1.367 100 2HD1 LEU 12 2HD1 LEU 12 15.964 1.675 3.073 101 3HD1 LEU 12 3HD1 LEU 12 16.065 0.205 2.082 102 1HD2 LEU 12 1HD2 LEU 12 14.138 3.430 2.387 103 2HD2 LEU 12 2HD2 LEU 12 14.478 3.304 0.641 104 3HD2 LEU 12 3HD2 LEU 12 12.867 2.893 1.252 105 H TYR 13 H TYR 13 14.149 -1.373 -1.831 106 HA TYR 13 HA TYR 13 11.568 -0.759 -2.951 107 1HB TYR 13 HB2 TYR 13 14.265 -1.675 -3.955 108 2HB TYR 13 HB3 TYR 13 12.921 -1.692 -5.034 109 HD1 TYR 13 HD1 TYR 13 12.957 0.941 -2.403 110 HD2 TYR 13 HD2 TYR 13 14.080 0.036 -6.469 111 HE1 TYR 13 HE1 TYR 13 13.168 3.286 -2.799 112 HE2 TYR 13 HE2 TYR 13 14.362 2.477 -6.872 113 HH TYR 13 HH TYR 13 13.135 4.780 -5.489 114 H GLU 14 H GLU 14 13.004 -3.742 -1.846 115 HA GLU 14 HA GLU 14 10.714 -5.451 -2.552 116 1HB GLU 14 HB2 GLU 14 12.994 -6.310 -2.063 117 2HB GLU 14 HB3 GLU 14 12.830 -5.778 -0.388 118 1HG GLU 14 HG2 GLU 14 10.948 -7.341 -0.048 119 2HG GLU 14 HG3 GLU 14 10.995 -7.798 -1.753 120 H ALA 15 H ALA 15 11.632 -3.457 0.217 121 HA ALA 15 HA ALA 15 9.850 -4.242 2.240 122 1HB ALA 15 HB1 ALA 15 10.498 -1.345 1.583 123 2HB ALA 15 HB2 ALA 15 10.193 -2.040 3.176 124 3HB ALA 15 HB3 ALA 15 11.712 -2.413 2.327 125 H SER 16 H SER 16 9.407 -2.110 -0.414 126 HA SER 16 HA SER 16 7.424 -0.410 0.276 127 1HB SER 16 HB2 SER 16 8.602 -1.663 -2.176 128 2HB SER 16 HB3 SER 16 7.168 -0.631 -2.435 129 HG SER 16 HG SER 16 8.617 0.905 -2.397 130 H ILE 17 H ILE 17 7.011 -3.615 -0.938 131 HA ILE 17 HA ILE 17 4.049 -3.430 -1.411 132 HB ILE 17 HB ILE 17 6.495 -3.761 -3.089 133 1HG1 ILE 17 2HG1 ILE 17 5.448 -2.638 -4.715 134 2HG1 ILE 17 3HG1 ILE 17 3.880 -3.317 -4.457 135 1HG2 ILE 17 1HG2 ILE 17 5.913 -6.078 -3.287 136 2HG2 ILE 17 2HG2 ILE 17 4.258 -5.660 -3.803 137 3HG2 ILE 17 3HG2 ILE 17 5.653 -5.219 -4.811 138 1HD1 ILE 17 1HD1 ILE 17 5.106 -1.085 -2.815 139 2HD1 ILE 17 2HD1 ILE 17 3.886 -0.898 -4.041 140 3HD1 ILE 17 3HD1 ILE 17 3.470 -1.737 -2.568 141 H ASP 18 H ASP 18 5.942 -4.686 0.677 142 HA ASP 18 HA ASP 18 5.532 -7.588 0.464 143 1HB ASP 18 HB2 ASP 18 7.613 -6.534 1.343 144 2HB ASP 18 HB3 ASP 18 6.698 -5.921 2.717 145 H GLU 19 H GLU 19 3.877 -4.955 1.983 146 HA GLU 19 HA GLU 19 2.012 -6.852 3.386 147 1HB GLU 19 HB2 GLU 19 3.041 -4.215 4.507 148 2HB GLU 19 HB3 GLU 19 1.755 -5.221 5.213 149 1HG GLU 19 HG2 GLU 19 3.373 -7.109 5.426 150 2HG GLU 19 HG3 GLU 19 4.657 -6.052 4.827 151 H PHE 20 H PHE 20 2.171 -3.354 2.475 152 HA PHE 20 HA PHE 20 -0.577 -2.867 2.539 153 1HB PHE 20 HB2 PHE 20 1.493 -1.709 0.611 154 2HB PHE 20 HB3 PHE 20 -0.157 -1.084 0.820 155 HD1 PHE 20 HD2 PHE 20 3.095 -1.576 2.571 156 HD2 PHE 20 HD1 PHE 20 -0.647 0.535 2.371 157 HE1 PHE 20 HE2 PHE 20 3.924 0.019 4.230 158 HE2 PHE 20 HE1 PHE 20 0.161 2.167 4.022 159 HZ PHE 20 HZ PHE 20 2.472 1.920 4.990 160 H MET 21 H MET 21 1.275 -3.964 -0.268 161 HA MET 21 HA MET 21 -0.792 -3.788 -2.240 162 1HB MET 21 HB2 MET 21 1.707 -5.438 -1.919 163 2HB MET 21 HB3 MET 21 0.564 -5.981 -3.148 164 1HG MET 21 HG2 MET 21 1.708 -3.183 -2.979 165 2HG MET 21 HG3 MET 21 2.294 -4.520 -4.016 166 1HE MET 21 HE1 MET 21 0.008 -5.838 -5.490 167 2HE MET 21 HE2 MET 21 -1.371 -5.193 -4.544 168 3HE MET 21 HE3 MET 21 -1.206 -4.794 -6.249 169 H GLY 22 H GLY 22 -0.169 -6.246 0.164 170 1HA GLY 22 HA2 GLY 22 -2.239 -8.080 -0.761 171 2HA GLY 22 HA3 GLY 22 -1.269 -8.239 0.744 172 H LYS 23 H LYS 23 -2.079 -5.204 1.331 173 HA LYS 23 HA LYS 23 -4.224 -6.049 2.981 174 1HB LYS 23 HB2 LYS 23 -3.467 -4.627 4.452 175 2HB LYS 23 HB3 LYS 23 -2.016 -4.672 3.503 176 1HG LYS 23 HG2 LYS 23 -2.767 -2.693 2.304 177 2HG LYS 23 HG3 LYS 23 -4.173 -2.652 3.279 178 1HD LYS 23 HD2 LYS 23 -1.437 -2.769 4.557 179 2HD LYS 23 HD3 LYS 23 -2.134 -1.186 4.108 180 1HE LYS 23 HE2 LYS 23 -3.901 -1.461 5.703 181 2HE LYS 23 HE3 LYS 23 -3.655 -3.208 5.725 182 1HZ LYS 23 HZ1 LYS 23 -1.763 -1.258 6.886 183 2HZ LYS 23 HZ2 LYS 23 -2.865 -2.140 7.741 184 3HZ LYS 23 HZ3 LYS 23 -1.642 -2.891 6.972 185 H ILE 24 H ILE 24 -3.433 -3.891 0.273 186 HA ILE 24 HA ILE 24 -6.154 -3.024 -0.121 187 HB ILE 24 HB ILE 24 -5.059 -2.550 -2.448 188 1HG1 ILE 24 2HG1 ILE 24 -2.568 -1.845 -1.057 189 2HG1 ILE 24 3HG1 ILE 24 -2.801 -3.406 -1.842 190 1HG2 ILE 24 1HG2 ILE 24 -4.637 -0.347 -1.563 191 2HG2 ILE 24 2HG2 ILE 24 -5.959 -0.966 -0.568 192 3HG2 ILE 24 3HG2 ILE 24 -4.313 -0.954 0.078 193 1HD1 ILE 24 1HD1 ILE 24 -3.194 -1.047 -3.334 194 2HD1 ILE 24 2HD1 ILE 24 -1.750 -2.086 -3.299 195 3HD1 ILE 24 3HD1 ILE 24 -3.347 -2.754 -3.827 196 H ALA 25 H ALA 25 -4.131 -5.605 -1.621 197 HA ALA 25 HA ALA 25 -6.169 -6.360 -3.468 198 1HB ALA 25 HB1 ALA 25 -4.980 -8.510 -3.660 199 2HB ALA 25 HB2 ALA 25 -3.873 -7.143 -3.733 200 3HB ALA 25 HB3 ALA 25 -4.005 -8.106 -2.241 201 H SER 26 H SER 26 -5.814 -6.915 -0.070 202 HA SER 26 HA SER 26 -8.045 -8.812 0.062 203 1HB SER 26 HB2 SER 26 -6.052 -9.438 1.307 204 2HB SER 26 HB3 SER 26 -6.056 -7.870 2.149 205 HG SER 26 HG SER 26 -8.206 -8.504 2.854 206 H CYS 27 H CYS 27 -8.301 -5.625 -0.363 207 HA CYS 27 HA CYS 27 -8.862 -4.677 2.179 208 1HB CYS 27 HB2 CYS 27 -9.447 -2.660 1.095 209 2HB CYS 27 HB3 CYS 27 -8.093 -3.368 0.198 210 HG CYS 27 HG CYS 27 -11.096 -2.857 -0.681 211 H GLN 28 H GLN 28 -10.777 -6.292 -0.131 212 HA GLN 28 HA GLN 28 -12.789 -7.180 -0.348 213 1HB GLN 28 HB2 GLN 28 -13.718 -8.264 1.599 214 2HB GLN 28 HB3 GLN 28 -11.960 -8.427 1.508 215 1HG GLN 28 HG2 GLN 28 -11.604 -6.777 3.192 216 2HG GLN 28 HG3 GLN 28 -13.287 -6.218 3.049 217 1HE2 GLN 28 1HE2 GLN 28 -11.054 -8.362 4.543 218 2HE2 GLN 28 2HE2 GLN 28 -12.216 -8.996 5.712 219 H THR 29 H THR 29 -12.794 -4.148 0.593 220 HA THR 29 HA THR 29 -15.647 -3.529 0.104 221 HB THR 29 HB THR 29 -15.481 -1.997 2.128 222 HG1 THR 29 HG1 THR 29 -13.260 -3.675 2.724 223 1HG2 THR 29 1HG2 THR 29 -16.251 -3.575 3.810 224 2HG2 THR 29 2HG2 THR 29 -16.891 -4.039 2.219 225 3HG2 THR 29 3HG2 THR 29 -15.539 -4.938 2.917 226 H LEU 30 H LEU 30 -15.820 -1.412 -0.731 227 HA LEU 30 HA LEU 30 -13.236 -0.280 -1.597 228 1HB LEU 30 HB2 LEU 30 -15.557 0.015 -2.878 229 2HB LEU 30 HB3 LEU 30 -15.844 1.174 -1.620 230 HG LEU 30 HG LEU 30 -13.137 1.688 -2.283 231 1HD1 LEU 30 1HD1 LEU 30 -13.231 2.117 -4.697 232 2HD1 LEU 30 2HD1 LEU 30 -12.844 0.549 -4.025 233 3HD1 LEU 30 3HD1 LEU 30 -14.457 0.885 -4.691 234 1HD2 LEU 30 1HD2 LEU 30 -14.779 3.201 -1.717 235 2HD2 LEU 30 2HD2 LEU 30 -13.843 3.650 -3.237 236 3HD2 LEU 30 3HD2 LEU 30 -15.523 2.964 -3.377 237 H GLU 31 H GLU 31 -15.719 0.165 0.734 238 HA GLU 31 HA GLU 31 -15.083 2.637 1.701 239 1HB GLU 31 HB2 GLU 31 -17.103 0.930 1.859 240 2HB GLU 31 HB3 GLU 31 -16.247 0.232 3.241 241 1HG GLU 31 HG2 GLU 31 -16.120 2.399 4.181 242 2HG GLU 31 HG3 GLU 31 -17.264 3.084 3.007 243 H GLY 32 H GLY 32 -13.901 -0.517 2.494 244 1HA GLY 32 HA2 GLY 32 -11.991 0.470 4.458 245 2HA GLY 32 HA3 GLY 32 -12.043 -1.202 3.808 246 H LEU 33 H LEU 33 -11.757 -0.401 1.042 247 HA LEU 33 HA LEU 33 -8.959 -0.064 0.798 248 1HB LEU 33 HB2 LEU 33 -10.664 -0.935 -0.848 249 2HB LEU 33 HB3 LEU 33 -11.352 0.572 -1.062 250 HG LEU 33 HG LEU 33 -9.529 1.531 -2.267 251 1HD1 LEU 33 1HD1 LEU 33 -7.485 0.245 -2.750 252 2HD1 LEU 33 2HD1 LEU 33 -7.589 0.835 -1.091 253 3HD1 LEU 33 3HD1 LEU 33 -7.940 -0.887 -1.443 254 1HD2 LEU 33 1HD2 LEU 33 -9.311 0.035 -4.073 255 2HD2 LEU 33 2HD2 LEU 33 -9.644 -1.373 -3.056 256 3HD2 LEU 33 3HD2 LEU 33 -10.937 -0.179 -3.389 257 H GLU 34 H GLU 34 -11.471 2.244 0.451 258 HA GLU 34 HA GLU 34 -10.170 4.697 0.115 259 1HB GLU 34 HB2 GLU 34 -12.689 3.687 1.301 260 2HB GLU 34 HB3 GLU 34 -12.367 5.432 1.446 261 1HG GLU 34 HG2 GLU 34 -12.416 3.836 -1.184 262 2HG GLU 34 HG3 GLU 34 -13.726 4.793 -0.473 263 H GLU 35 H GLU 35 -10.789 2.818 3.024 264 HA GLU 35 HA GLU 35 -9.811 4.842 4.966 265 1HB GLU 35 HB2 GLU 35 -10.345 1.883 5.413 266 2HB GLU 35 HB3 GLU 35 -9.754 2.984 6.632 267 1HG GLU 35 HG2 GLU 35 -12.223 3.833 5.202 268 2HG GLU 35 HG3 GLU 35 -12.370 2.407 6.267 269 H LEU 36 H LEU 36 -8.618 1.853 3.517 270 HA LEU 36 HA LEU 36 -5.966 1.948 4.383 271 1HB LEU 36 HB2 LEU 36 -6.740 0.933 1.638 272 2HB LEU 36 HB3 LEU 36 -5.267 0.597 2.497 273 HG LEU 36 HG LEU 36 -7.975 -0.304 3.464 274 1HD1 LEU 36 1HD1 LEU 36 -7.310 -2.513 2.621 275 2HD1 LEU 36 2HD1 LEU 36 -7.381 -1.344 1.294 276 3HD1 LEU 36 3HD1 LEU 36 -5.813 -1.806 1.950 277 1HD2 LEU 36 1HD2 LEU 36 -6.538 -1.841 4.751 278 2HD2 LEU 36 2HD2 LEU 36 -5.158 -0.823 4.208 279 3HD2 LEU 36 3HD2 LEU 36 -6.464 -0.108 5.191 280 H GLU 37 H GLU 37 -7.566 3.533 1.566 281 HA GLU 37 HA GLU 37 -5.388 4.627 0.489 282 1HB GLU 37 HB2 GLU 37 -7.749 4.570 -0.347 283 2HB GLU 37 HB3 GLU 37 -8.108 6.048 0.447 284 1HG GLU 37 HG2 GLU 37 -5.754 5.665 -1.402 285 2HG GLU 37 HG3 GLU 37 -7.371 5.956 -2.090 286 H ALA 38 H ALA 38 -7.677 6.035 2.774 287 HA ALA 38 HA ALA 38 -6.290 8.423 3.167 288 1HB ALA 38 HB1 ALA 38 -8.073 6.861 5.112 289 2HB ALA 38 HB2 ALA 38 -7.591 8.556 5.350 290 3HB ALA 38 HB3 ALA 38 -8.626 8.104 3.961 291 H TYR 39 H TYR 39 -6.052 5.275 4.958 292 HA TYR 39 HA TYR 39 -4.184 6.188 6.833 293 1HB TYR 39 HB2 TYR 39 -4.957 4.204 7.621 294 2HB TYR 39 HB3 TYR 39 -5.282 3.619 5.992 295 HD1 TYR 39 HD2 TYR 39 -3.776 2.415 4.660 296 HD2 TYR 39 HD1 TYR 39 -2.750 3.554 8.681 297 HE1 TYR 39 HE2 TYR 39 -1.885 0.935 4.546 298 HE2 TYR 39 HE1 TYR 39 -0.852 1.942 8.641 299 HH TYR 39 HH TYR 39 0.357 0.474 7.354 300 H TYR 40 H TYR 40 -3.617 4.830 3.564 301 HA TYR 40 HA TYR 40 -0.781 4.795 3.453 302 1HB TYR 40 HB2 TYR 40 -2.224 3.923 1.681 303 2HB TYR 40 HB3 TYR 40 -2.891 5.540 1.391 304 HD1 TYR 40 HD2 TYR 40 0.424 3.779 1.464 305 HD2 TYR 40 HD1 TYR 40 -1.978 6.939 -0.230 306 HE1 TYR 40 HE2 TYR 40 2.279 4.411 -0.027 307 HE2 TYR 40 HE1 TYR 40 -0.126 7.563 -1.706 308 HH TYR 40 HH TYR 40 2.001 6.793 -2.591 309 H LYS 41 H LYS 41 -3.106 7.442 2.485 310 HA LYS 41 HA LYS 41 -1.185 9.410 1.985 311 1HB LYS 41 HB2 LYS 41 -3.998 9.717 2.953 312 2HB LYS 41 HB3 LYS 41 -3.008 11.026 2.295 313 1HG LYS 41 HG2 LYS 41 -3.111 8.549 0.592 314 2HG LYS 41 HG3 LYS 41 -4.628 9.342 0.875 315 1HD LYS 41 HD2 LYS 41 -3.790 10.301 -1.096 316 2HD LYS 41 HD3 LYS 41 -3.433 11.542 0.120 317 1HE LYS 41 HE2 LYS 41 -1.234 9.968 0.257 318 2HE LYS 41 HE3 LYS 41 -1.670 9.630 -1.416 319 1HZ LYS 41 HZ1 LYS 41 -0.162 11.505 -1.330 320 2HZ LYS 41 HZ2 LYS 41 -1.621 12.024 -1.865 321 3HZ LYS 41 HZ3 LYS 41 -1.148 12.339 -0.330 322 H LYS 42 H LYS 42 -2.727 8.579 5.105 323 HA LYS 42 HA LYS 42 -2.009 10.757 6.723 324 1HB LYS 42 HB2 LYS 42 -2.903 7.872 6.937 325 2HB LYS 42 HB3 LYS 42 -2.637 8.735 8.365 326 1HG LYS 42 HG2 LYS 42 -4.500 9.729 6.213 327 2HG LYS 42 HG3 LYS 42 -5.023 8.642 7.520 328 1HD LYS 42 HD2 LYS 42 -4.611 10.398 9.164 329 2HD LYS 42 HD3 LYS 42 -3.839 11.410 7.910 330 1HE LYS 42 HE2 LYS 42 -6.032 11.081 6.572 331 2HE LYS 42 HE3 LYS 42 -6.747 10.477 8.063 332 1HZ LYS 42 HZ1 LYS 42 -6.229 12.596 9.112 333 2HZ LYS 42 HZ2 LYS 42 -5.582 13.178 7.715 334 3HZ LYS 42 HZ3 LYS 42 -7.172 12.837 7.800 335 H ARG 43 H ARG 43 -0.486 7.563 6.166 336 HA ARG 43 HA ARG 43 1.725 7.986 7.982 337 1HB ARG 43 HB2 ARG 43 0.895 5.784 7.427 338 2HB ARG 43 HB3 ARG 43 1.212 6.017 5.708 339 1HG ARG 43 HG2 ARG 43 3.580 6.227 6.076 340 2HG ARG 43 HG3 ARG 43 3.389 6.035 7.834 341 1HD ARG 43 HD2 ARG 43 2.597 3.930 5.789 342 2HD ARG 43 HD3 ARG 43 4.159 3.972 6.623 343 HE ARG 43 HE ARG 43 1.778 4.007 8.374 344 1HH1 ARG 43 1HH1 ARG 43 4.194 1.901 6.919 345 2HH1 ARG 43 2HH1 ARG 43 3.927 0.648 8.097 346 1HH2 ARG 43 1HH2 ARG 43 1.552 2.383 9.870 347 2HH2 ARG 43 2HH2 ARG 43 2.483 0.919 9.713 348 H VAL 44 H VAL 44 1.549 8.298 4.405 349 HA VAL 44 HA VAL 44 4.138 8.256 3.825 350 HB VAL 44 HB VAL 44 1.556 9.393 2.734 351 1HG1 VAL 44 1HG1 VAL 44 2.365 9.652 0.538 352 2HG1 VAL 44 2HG1 VAL 44 3.007 10.916 1.626 353 3HG1 VAL 44 3HG1 VAL 44 4.069 9.559 1.099 354 1HG2 VAL 44 1HG2 VAL 44 2.130 7.004 2.978 355 2HG2 VAL 44 2HG2 VAL 44 1.925 7.454 1.268 356 3HG2 VAL 44 3HG2 VAL 44 3.547 7.269 2.020 357 H LYS 45 H LYS 45 2.585 11.032 5.068 358 HA LYS 45 HA LYS 45 4.742 12.848 4.562 359 1HB LYS 45 HB2 LYS 45 3.306 14.408 5.783 360 2HB LYS 45 HB3 LYS 45 2.332 13.334 4.754 361 1HG LYS 45 HG2 LYS 45 2.150 11.784 6.833 362 2HG LYS 45 HG3 LYS 45 2.818 13.180 7.724 363 1HD LYS 45 HD2 LYS 45 0.489 13.269 8.066 364 2HD LYS 45 HD3 LYS 45 0.817 14.565 6.915 365 1HE LYS 45 HE2 LYS 45 0.315 11.808 5.835 366 2HE LYS 45 HE3 LYS 45 -1.080 12.596 6.619 367 1HZ LYS 45 HZ1 LYS 45 -0.905 14.441 5.116 368 2HZ LYS 45 HZ2 LYS 45 0.401 13.794 4.355 369 3HZ LYS 45 HZ3 LYS 45 -1.050 13.055 4.261 370 H GLU 46 H GLU 46 3.911 10.704 7.080 371 HA GLU 46 HA GLU 46 5.370 11.710 9.410 372 1HB GLU 46 HB2 GLU 46 3.065 10.657 9.278 373 2HB GLU 46 HB3 GLU 46 3.971 9.142 9.139 374 1HG GLU 46 HG2 GLU 46 3.298 9.603 11.417 375 2HG GLU 46 HG3 GLU 46 5.035 9.485 11.217 376 H THR 47 H THR 47 5.964 9.848 6.710 377 HA THR 47 HA THR 47 8.594 9.045 7.668 378 HB THR 47 HB THR 47 7.295 7.173 8.418 379 HG1 THR 47 HG1 THR 47 8.415 5.570 7.579 380 1HG2 THR 47 1HG2 THR 47 6.369 6.886 5.542 381 2HG2 THR 47 2HG2 THR 47 6.183 5.627 6.805 382 3HG2 THR 47 3HG2 THR 47 5.411 7.208 7.019 383 H GLU 48 H GLU 48 8.675 7.117 5.183 384 HA GLU 48 HA GLU 48 9.678 9.225 3.406 385 1HB GLU 48 HB2 GLU 48 11.278 6.923 4.414 386 2HB GLU 48 HB3 GLU 48 11.859 8.283 3.438 387 1HG GLU 48 HG2 GLU 48 11.081 9.781 5.333 388 2HG GLU 48 HG3 GLU 48 10.848 8.318 6.287 389 H LEU 49 H LEU 49 7.483 7.804 2.870 390 HA LEU 49 HA LEU 49 7.618 5.585 1.126 391 1HB LEU 49 HB2 LEU 49 5.554 6.442 1.858 392 2HB LEU 49 HB3 LEU 49 5.835 8.051 1.267 393 HG LEU 49 HG LEU 49 4.125 7.070 0.020 394 1HD1 LEU 49 1HD1 LEU 49 6.382 7.209 -1.916 395 2HD1 LEU 49 2HD1 LEU 49 4.706 7.768 -2.044 396 3HD1 LEU 49 3HD1 LEU 49 5.819 8.634 -0.986 397 1HD2 LEU 49 1HD2 LEU 49 4.442 5.160 -1.437 398 2HD2 LEU 49 2HD2 LEU 49 6.090 4.982 -0.812 399 3HD2 LEU 49 3HD2 LEU 49 4.679 4.766 0.277 400 H LYS 50 H LYS 50 8.907 5.209 -0.271 401 HA LYS 50 HA LYS 50 10.348 7.169 -1.917 402 1HB LYS 50 HB2 LYS 50 11.751 5.369 -2.420 403 2HB LYS 50 HB3 LYS 50 11.275 5.010 -0.834 404 1HG LYS 50 HG2 LYS 50 9.348 3.646 -2.406 405 2HG LYS 50 HG3 LYS 50 10.877 3.532 -3.296 406 1HD LYS 50 HD2 LYS 50 10.848 1.664 -1.779 407 2HD LYS 50 HD3 LYS 50 11.928 2.869 -1.051 408 1HE LYS 50 HE2 LYS 50 10.249 3.709 0.389 409 2HE LYS 50 HE3 LYS 50 8.965 2.790 -0.409 410 1HZ LYS 50 HZ1 LYS 50 11.063 1.597 1.284 411 2HZ LYS 50 HZ2 LYS 50 9.448 1.647 1.567 412 3HZ LYS 50 HZ3 LYS 50 10.022 0.728 0.334 413 H ASP 51 H ASP 51 10.502 6.625 -4.309 414 HA ASP 51 HA ASP 51 7.941 7.065 -5.542 415 1HB ASP 51 HB2 ASP 51 9.077 6.737 -7.655 416 2HB ASP 51 HB3 ASP 51 10.025 7.775 -6.573 417 H THR 52 H THR 52 9.885 4.133 -5.165 418 HA THR 52 HA THR 52 8.538 2.401 -6.910 419 HB THR 52 HB THR 52 9.737 1.938 -4.187 420 HG1 THR 52 HG1 THR 52 11.690 1.601 -5.344 421 1HG2 THR 52 1HG2 THR 52 10.522 -0.294 -5.097 422 2HG2 THR 52 2HG2 THR 52 8.775 -0.190 -4.872 423 3HG2 THR 52 3HG2 THR 52 9.469 -0.034 -6.503 424 H ASP 53 H ASP 53 7.879 2.932 -3.401 425 HA ASP 53 HA ASP 53 5.814 0.876 -3.262 426 1HB ASP 53 HB2 ASP 53 6.844 1.386 -1.240 427 2HB ASP 53 HB3 ASP 53 6.764 3.118 -1.449 428 H ASP 54 H ASP 54 5.914 4.393 -3.678 429 HA ASP 54 HA ASP 54 3.176 4.845 -3.317 430 1HB ASP 54 HB2 ASP 54 5.272 6.389 -3.660 431 2HB ASP 54 HB3 ASP 54 5.010 6.249 -5.340 432 H ILE 55 H ILE 55 4.945 4.050 -6.300 433 HA ILE 55 HA ILE 55 2.508 4.490 -7.944 434 HB ILE 55 HB ILE 55 4.600 2.870 -9.281 435 1HG1 ILE 55 2HG1 ILE 55 5.658 5.470 -9.643 436 2HG1 ILE 55 3HG1 ILE 55 5.454 5.322 -7.931 437 1HG2 ILE 55 1HG2 ILE 55 4.061 4.382 -11.126 438 2HG2 ILE 55 2HG2 ILE 55 2.575 3.777 -10.386 439 3HG2 ILE 55 3HG2 ILE 55 3.114 5.425 -10.043 440 1HD1 ILE 55 1HD1 ILE 55 6.873 3.333 -9.805 441 2HD1 ILE 55 2HD1 ILE 55 7.659 4.360 -8.608 442 3HD1 ILE 55 3HD1 ILE 55 6.605 3.011 -8.079 443 H SER 56 H SER 56 4.408 1.724 -6.744 444 HA SER 56 HA SER 56 2.966 -0.183 -8.324 445 1HB SER 56 HB2 SER 56 4.899 -0.177 -6.090 446 2HB SER 56 HB3 SER 56 3.862 -1.607 -6.161 447 HG SER 56 HG SER 56 5.605 -0.566 -8.160 448 H VAL 57 H VAL 57 2.583 0.932 -5.050 449 HA VAL 57 HA VAL 57 0.374 -0.824 -4.384 450 HB VAL 57 HB VAL 57 2.254 0.318 -2.855 451 1HG1 VAL 57 1HG1 VAL 57 1.388 1.970 -1.468 452 2HG1 VAL 57 2HG1 VAL 57 1.478 2.530 -3.138 453 3HG1 VAL 57 3HG1 VAL 57 -0.136 2.048 -2.407 454 1HG2 VAL 57 1HG2 VAL 57 -0.599 -0.222 -1.969 455 2HG2 VAL 57 2HG2 VAL 57 0.705 -1.438 -2.093 456 3HG2 VAL 57 3HG2 VAL 57 0.836 -0.103 -0.931 457 H ARG 58 H ARG 58 0.728 2.725 -5.016 458 HA ARG 58 HA ARG 58 -2.039 3.192 -4.654 459 1HB ARG 58 HB2 ARG 58 -0.148 4.889 -5.170 460 2HB ARG 58 HB3 ARG 58 -0.653 4.777 -6.817 461 1HG ARG 58 HG2 ARG 58 -1.989 6.491 -6.100 462 2HG ARG 58 HG3 ARG 58 -3.083 5.169 -5.717 463 1HD ARG 58 HD2 ARG 58 -2.340 5.207 -3.357 464 2HD ARG 58 HD3 ARG 58 -1.096 6.391 -3.735 465 HE ARG 58 HE ARG 58 -3.875 6.911 -3.175 466 1HH1 ARG 58 1HH1 ARG 58 -1.197 8.275 -5.018 467 2HH1 ARG 58 2HH1 ARG 58 -1.917 9.865 -5.008 468 1HH2 ARG 58 1HH2 ARG 58 -4.644 8.932 -3.114 469 2HH2 ARG 58 2HH2 ARG 58 -3.857 10.228 -4.005 470 H ASP 59 H ASP 59 -0.243 2.277 -7.580 471 HA ASP 59 HA ASP 59 -2.466 2.711 -9.280 472 1HB ASP 59 HB2 ASP 59 -0.128 2.440 -10.051 473 2HB ASP 59 HB3 ASP 59 -0.196 0.706 -9.719 474 H ALA 60 H ALA 60 -1.810 0.218 -7.152 475 HA ALA 60 HA ALA 60 -3.504 -1.944 -8.141 476 1HB ALA 60 HB1 ALA 60 -1.328 -2.568 -7.279 477 2HB ALA 60 HB2 ALA 60 -1.588 -1.629 -5.794 478 3HB ALA 60 HB3 ALA 60 -2.597 -3.075 -6.116 479 H LEU 61 H LEU 61 -3.186 0.250 -5.314 480 HA LEU 61 HA LEU 61 -5.532 -0.327 -3.999 481 1HB LEU 61 HB2 LEU 61 -3.407 0.943 -3.377 482 2HB LEU 61 HB3 LEU 61 -3.915 2.256 -4.368 483 HG LEU 61 HG LEU 61 -5.707 1.276 -2.294 484 1HD1 LEU 61 1HD1 LEU 61 -3.455 1.289 -1.287 485 2HD1 LEU 61 2HD1 LEU 61 -3.334 3.021 -1.686 486 3HD1 LEU 61 3HD1 LEU 61 -4.566 2.454 -0.529 487 1HD2 LEU 61 1HD2 LEU 61 -5.093 4.117 -3.119 488 2HD2 LEU 61 2HD2 LEU 61 -6.505 3.177 -3.663 489 3HD2 LEU 61 3HD2 LEU 61 -6.353 3.566 -1.963 490 H ALA 62 H ALA 62 -4.810 2.402 -6.228 491 HA ALA 62 HA ALA 62 -7.497 3.000 -6.752 492 1HB ALA 62 HB1 ALA 62 -6.671 4.349 -8.646 493 2HB ALA 62 HB2 ALA 62 -5.606 4.553 -7.248 494 3HB ALA 62 HB3 ALA 62 -5.116 3.489 -8.586 495 H GLY 63 H GLY 63 -5.534 0.516 -7.865 496 1HA GLY 63 HA2 GLY 63 -6.433 -0.428 -10.320 497 2HA GLY 63 HA3 GLY 63 -5.679 -1.330 -9.048 498 H LYS 64 H LYS 64 -7.073 -1.229 -6.932 499 HA LYS 64 HA LYS 64 -9.361 -2.935 -7.452 500 1HB LYS 64 HB2 LYS 64 -7.501 -3.373 -5.754 501 2HB LYS 64 HB3 LYS 64 -8.275 -2.145 -4.760 502 1HG LYS 64 HG2 LYS 64 -9.862 -3.616 -4.088 503 2HG LYS 64 HG3 LYS 64 -10.255 -4.025 -5.750 504 1HD LYS 64 HD2 LYS 64 -8.393 -5.660 -5.806 505 2HD LYS 64 HD3 LYS 64 -8.099 -5.336 -4.082 506 1HE LYS 64 HE2 LYS 64 -10.384 -6.088 -3.528 507 2HE LYS 64 HE3 LYS 64 -10.770 -6.252 -5.246 508 1HZ LYS 64 HZ1 LYS 64 -10.259 -8.369 -4.294 509 2HZ LYS 64 HZ2 LYS 64 -9.105 -8.002 -5.398 510 3HZ LYS 64 HZ3 LYS 64 -8.786 -7.887 -3.782 511 H ARG 65 H ARG 65 -8.883 0.343 -6.451 512 HA ARG 65 HA ARG 65 -11.273 0.821 -5.247 513 1HB ARG 65 HB2 ARG 65 -9.205 2.252 -5.610 514 2HB ARG 65 HB3 ARG 65 -10.007 2.877 -7.029 515 1HG ARG 65 HG2 ARG 65 -11.596 4.096 -5.725 516 2HG ARG 65 HG3 ARG 65 -11.457 2.978 -4.409 517 1HD ARG 65 HD2 ARG 65 -9.195 3.652 -3.864 518 2HD ARG 65 HD3 ARG 65 -9.057 4.499 -5.394 519 HE ARG 65 HE ARG 65 -11.085 5.496 -3.435 520 1HH1 ARG 65 1HH1 ARG 65 -8.053 6.263 -5.101 521 2HH1 ARG 65 2HH1 ARG 65 -8.084 7.887 -4.468 522 1HH2 ARG 65 2HH2 ARG 65 -10.915 7.407 -2.590 523 2HH2 ARG 65 1HH2 ARG 65 -9.648 8.535 -3.050 524 H ALA 66 H ALA 66 -10.557 0.978 -8.704 525 HA ALA 66 HA ALA 66 -13.174 1.871 -9.570 526 1HB ALA 66 HB1 ALA 66 -11.159 0.132 -11.030 527 2HB ALA 66 HB2 ALA 66 -12.572 0.947 -11.730 528 3HB ALA 66 HB3 ALA 66 -11.232 1.928 -11.068 529 H GLU 67 H GLU 67 -11.892 -1.297 -8.642 530 HA GLU 67 HA GLU 67 -13.807 -2.985 -10.018 531 1HB GLU 67 HB2 GLU 67 -12.116 -3.526 -7.579 532 2HB GLU 67 HB3 GLU 67 -12.880 -4.716 -8.640 533 1HG GLU 67 HG2 GLU 67 -10.680 -2.732 -9.459 534 2HG GLU 67 HG3 GLU 67 -10.493 -4.335 -8.800 535 H LEU 68 H LEU 68 -13.235 -1.470 -6.965 536 HA LEU 68 HA LEU 68 -15.203 -2.940 -5.411 537 1HB LEU 68 HB2 LEU 68 -12.943 -1.200 -4.980 538 2HB LEU 68 HB3 LEU 68 -14.242 -1.235 -3.745 539 HG LEU 68 HG LEU 68 -12.789 -3.678 -4.858 540 1HD1 LEU 68 1HD1 LEU 68 -11.493 -2.235 -3.738 541 2HD1 LEU 68 2HD1 LEU 68 -12.645 -2.101 -2.358 542 3HD1 LEU 68 3HD1 LEU 68 -11.863 -3.678 -2.757 543 1HD2 LEU 68 1HD2 LEU 68 -13.792 -4.636 -2.656 544 2HD2 LEU 68 2HD2 LEU 68 -14.617 -3.075 -2.433 545 3HD2 LEU 68 3HD2 LEU 68 -15.122 -4.181 -3.734 546 H GLU 69 H GLU 69 -14.798 0.139 -6.938 547 HA GLU 69 HA GLU 69 -17.013 1.550 -5.868 548 1HB GLU 69 HB2 GLU 69 -14.822 1.758 -7.884 549 2HB GLU 69 HB3 GLU 69 -16.158 2.416 -8.389 550 1HG GLU 69 HG2 GLU 69 -16.177 3.749 -6.013 551 2HG GLU 69 HG3 GLU 69 -14.556 3.126 -5.921 552 H ASP 70 H ASP 70 -16.411 -0.544 -8.538 553 HA ASP 70 HA ASP 70 -19.138 -0.448 -9.699 554 1HB ASP 70 HB2 ASP 70 -16.967 -1.368 -10.867 555 2HB ASP 70 HB3 ASP 70 -17.221 -2.800 -9.911 556 H SER 71 H SER 71 -17.289 -2.096 -7.162 557 HA SER 71 HA SER 71 -19.282 -4.130 -6.882 558 1HB SER 71 HB2 SER 71 -16.936 -4.561 -6.250 559 2HB SER 71 HB3 SER 71 -17.120 -3.522 -4.817 560 HG SER 71 HG SER 71 -17.421 -5.797 -4.430 561 H ASP 72 H ASP 72 -18.725 -1.334 -5.316 562 HA ASP 72 HA ASP 72 -19.479 0.080 -3.738 563 1HB ASP 72 HB2 ASP 72 -21.310 0.208 -5.448 564 2HB ASP 72 HB3 ASP 72 -22.234 -0.950 -4.466 565 H ASP 73 H ASP 73 -20.110 -3.185 -3.148 566 HA ASP 73 HA ASP 73 -20.803 -4.493 -1.412 567 1HB ASP 73 HB2 ASP 73 -18.522 -3.717 -0.889 568 2HB ASP 73 HB3 ASP 73 -19.250 -2.484 0.126 569 H GLU 74 H GLU 74 -21.515 -3.755 1.333 570 HA GLU 74 HA GLU 74 -21.965 -1.206 1.779 571 1HB GLU 74 HB2 GLU 74 -24.482 -2.330 0.904 572 2HB GLU 74 HB3 GLU 74 -24.536 -1.343 2.377 573 1HG GLU 74 HG2 GLU 74 -22.771 -0.337 0.136 574 2HG GLU 74 HG3 GLU 74 -24.476 -0.285 -0.118 575 H VAL 75 H VAL 75 -21.793 -0.858 3.859 576 HA VAL 75 HA VAL 75 -21.202 -1.188 5.978 577 HB VAL 75 HB VAL 75 -23.627 -2.974 5.995 578 1HG1 VAL 75 1HG1 VAL 75 -21.938 -2.199 8.384 579 2HG1 VAL 75 2HG1 VAL 75 -23.587 -2.872 8.474 580 3HG1 VAL 75 3HG1 VAL 75 -22.274 -3.839 7.793 581 1HG2 VAL 75 1HG2 VAL 75 -23.113 -0.217 7.161 582 2HG2 VAL 75 2HG2 VAL 75 -24.038 -0.560 5.679 583 3HG2 VAL 75 3HG2 VAL 75 -24.643 -1.106 7.251 584 H GLU 76 H GLU 76 -21.881 -4.278 4.672 585 HA GLU 76 HA GLU 76 -19.482 -5.574 5.824 586 1HB GLU 76 HB2 GLU 76 -20.757 -7.274 6.890 587 2HB GLU 76 HB3 GLU 76 -21.284 -5.750 7.510 588 1HG GLU 76 HG2 GLU 76 -23.286 -5.835 6.000 589 2HG GLU 76 HG3 GLU 76 -22.749 -7.435 5.414 590 H GLU 77 H GLU 77 -22.190 -5.672 3.581 591 HA GLU 77 HA GLU 77 -20.817 -7.395 1.738 592 1HB GLU 77 HB2 GLU 77 -23.502 -8.333 2.785 593 2HB GLU 77 HB3 GLU 77 -22.675 -8.949 1.357 594 1HG GLU 77 HG2 GLU 77 -20.757 -9.675 2.764 595 2HG GLU 77 HG3 GLU 77 -21.650 -9.139 4.199 596 H SER 78 H SER 78 -24.114 -6.228 2.492 597 HA SER 78 HA SER 78 -24.411 -4.711 -0.024 598 1HB SER 78 HB2 SER 78 -25.830 -7.358 0.483 599 2HB SER 78 HB3 SER 78 -26.200 -6.258 -0.875 600 HG SER 78 HG SER 78 -23.553 -6.880 -0.556 601 H PHE 79 H PHE 79 -24.857 -4.232 2.916 602 HA PHE 79 HA PHE 79 -27.468 -4.607 3.829 603 1HB PHE 79 HB2 PHE 79 -25.495 -4.042 5.175 604 2HB PHE 79 HB3 PHE 79 -25.505 -2.403 4.538 605 HD1 PHE 79 HD1 PHE 79 -27.270 -4.826 6.710 606 HD2 PHE 79 HD2 PHE 79 -27.064 -0.731 5.415 607 HE1 PHE 79 HE1 PHE 79 -28.751 -4.152 8.597 608 HE2 PHE 79 HE2 PHE 79 -28.545 -0.057 7.292 609 HZ PHE 79 HZ PHE 79 -29.377 -1.771 8.896 Start of MODEL 18 1 1H GLY 1 H1 GLY 1 16.892 -16.850 -1.048 2 2H GLY 1 H2 GLY 1 16.636 -15.457 -0.231 3 3H GLY 1 H3 GLY 1 18.140 -16.101 -0.298 4 1HA GLY 1 HA2 GLY 1 16.636 -15.009 -2.595 5 2HA GLY 1 HA3 GLY 1 17.986 -14.201 -1.781 6 H SER 2 H SER 2 17.417 -15.482 -4.584 7 HA SER 2 HA SER 2 19.314 -17.606 -4.936 8 1HB SER 2 HB2 SER 2 18.914 -17.188 -7.352 9 2HB SER 2 HB3 SER 2 17.429 -17.358 -6.409 10 HG SER 2 HG SER 2 17.360 -15.583 -7.875 11 H HIS 3 H HIS 3 19.823 -14.199 -4.725 12 HA HIS 3 HA HIS 3 22.698 -14.489 -5.283 13 1HB HIS 3 HB2 HIS 3 21.648 -13.923 -7.475 14 2HB HIS 3 HB3 HIS 3 20.959 -12.469 -6.761 15 HD2 HIS 3 HD2 HIS 3 22.261 -10.605 -8.033 16 HE1 HIS 3 HE1 HIS 3 26.254 -11.886 -7.292 17 HE2 HIS 3 HE2 HIS 3 24.822 -10.039 -8.284 18 H MET 4 H MET 4 23.870 -12.426 -4.740 19 HA MET 4 HA MET 4 23.243 -11.405 -2.117 20 1HB MET 4 HB2 MET 4 25.142 -10.347 -4.248 21 2HB MET 4 HB3 MET 4 25.123 -9.841 -2.564 22 1HG MET 4 HG2 MET 4 25.781 -12.646 -3.553 23 2HG MET 4 HG3 MET 4 26.923 -11.418 -3.043 24 1HE MET 4 HE1 MET 4 24.685 -14.358 -0.373 25 2HE MET 4 HE2 MET 4 23.774 -13.530 -1.647 26 3HE MET 4 HE3 MET 4 25.178 -14.536 -2.072 27 H LEU 5 H LEU 5 22.788 -9.237 -1.476 28 HA LEU 5 HA LEU 5 20.677 -7.893 -2.853 29 1HB LEU 5 HB2 LEU 5 22.313 -7.392 -0.445 30 2HB LEU 5 HB3 LEU 5 21.478 -6.008 -1.132 31 HG LEU 5 HG LEU 5 19.979 -8.624 -0.749 32 1HD1 LEU 5 1HD1 LEU 5 20.379 -6.417 1.271 33 2HD1 LEU 5 2HD1 LEU 5 19.247 -7.799 1.425 34 3HD1 LEU 5 3HD1 LEU 5 20.999 -8.084 1.356 35 1HD2 LEU 5 1HD2 LEU 5 18.900 -6.804 -2.091 36 2HD2 LEU 5 2HD2 LEU 5 18.035 -7.140 -0.586 37 3HD2 LEU 5 3HD2 LEU 5 19.081 -5.707 -0.705 38 H LEU 6 H LEU 6 24.141 -7.456 -2.972 39 HA LEU 6 HA LEU 6 25.604 -6.313 -4.146 40 1HB LEU 6 HB2 LEU 6 24.303 -7.409 -5.949 41 2HB LEU 6 HB3 LEU 6 23.378 -5.929 -6.161 42 HG LEU 6 HG LEU 6 25.434 -4.730 -6.867 43 1HD1 LEU 6 1HD1 LEU 6 27.170 -6.005 -5.678 44 2HD1 LEU 6 2HD1 LEU 6 26.759 -7.470 -6.597 45 3HD1 LEU 6 3HD1 LEU 6 27.470 -6.054 -7.415 46 1HD2 LEU 6 1HD2 LEU 6 23.986 -5.830 -8.514 47 2HD2 LEU 6 2HD2 LEU 6 25.680 -5.859 -9.022 48 3HD2 LEU 6 3HD2 LEU 6 24.929 -7.330 -8.365 49 H GLU 7 H GLU 7 22.749 -4.423 -3.490 50 HA GLU 7 HA GLU 7 24.409 -2.012 -2.939 51 1HB GLU 7 HB2 GLU 7 23.490 -1.812 -5.256 52 2HB GLU 7 HB3 GLU 7 21.853 -1.942 -4.600 53 1HG GLU 7 HG2 GLU 7 22.164 0.146 -3.343 54 2HG GLU 7 HG3 GLU 7 23.865 0.227 -3.841 55 H PHE 8 H PHE 8 23.806 -1.038 -1.090 56 HA PHE 8 HA PHE 8 22.162 -2.388 0.721 57 1HB PHE 8 HB2 PHE 8 22.584 -0.597 2.258 58 2HB PHE 8 HB3 PHE 8 24.032 -0.968 1.360 59 HD1 PHE 8 HD1 PHE 8 24.939 0.658 -0.316 60 HD2 PHE 8 HD2 PHE 8 21.452 1.553 2.068 61 HE1 PHE 8 HE1 PHE 8 25.152 3.057 -0.898 62 HE2 PHE 8 HE2 PHE 8 21.696 3.955 1.508 63 HZ PHE 8 HZ PHE 8 23.549 4.717 0.028 64 H LYS 9 H LYS 9 21.224 0.179 -1.435 65 HA LYS 9 HA LYS 9 18.963 1.288 -0.215 66 1HB LYS 9 HB2 LYS 9 19.612 0.865 -3.159 67 2HB LYS 9 HB3 LYS 9 18.289 1.869 -2.588 68 1HG LYS 9 HG2 LYS 9 21.201 2.395 -1.863 69 2HG LYS 9 HG3 LYS 9 20.355 3.111 -3.236 70 1HD LYS 9 HD2 LYS 9 18.644 4.060 -1.636 71 2HD LYS 9 HD3 LYS 9 19.650 3.481 -0.289 72 1HE LYS 9 HE2 LYS 9 21.543 4.844 -1.110 73 2HE LYS 9 HE3 LYS 9 20.566 5.384 -2.485 74 1HZ LYS 9 HZ1 LYS 9 19.949 5.937 0.353 75 2HZ LYS 9 HZ2 LYS 9 20.592 7.006 -0.709 76 3HZ LYS 9 HZ3 LYS 9 19.073 6.452 -0.943 77 H GLN 10 H GLN 10 19.056 -1.827 -1.826 78 HA GLN 10 HA GLN 10 16.359 -1.793 -2.756 79 1HB GLN 10 HB2 GLN 10 17.929 -4.328 -2.325 80 2HB GLN 10 HB3 GLN 10 16.617 -4.036 -3.497 81 1HG GLN 10 HG2 GLN 10 18.162 -2.290 -4.574 82 2HG GLN 10 HG3 GLN 10 19.384 -2.917 -3.439 83 1HE2 GLN 10 2HE2 GLN 10 20.034 -2.969 -6.044 84 2HE2 GLN 10 1HE2 GLN 10 19.955 -4.619 -6.670 85 H PHE 11 H PHE 11 17.635 -2.514 0.337 86 HA PHE 11 HA PHE 11 15.693 -4.255 1.241 87 1HB PHE 11 HB2 PHE 11 16.151 -3.634 3.461 88 2HB PHE 11 HB3 PHE 11 17.668 -3.533 2.565 89 HD1 PHE 11 HD1 PHE 11 17.484 -0.761 1.400 90 HD2 PHE 11 HD2 PHE 11 16.516 -2.226 5.326 91 HE1 PHE 11 HE1 PHE 11 18.017 1.419 2.299 92 HE2 PHE 11 HE2 PHE 11 17.050 0.007 6.267 93 HZ PHE 11 HZ PHE 11 17.833 1.840 4.765 94 H LEU 12 H LEU 12 15.478 -0.856 0.506 95 HA LEU 12 HA LEU 12 12.947 -0.405 1.827 96 1HB LEU 12 HB2 LEU 12 15.107 1.205 0.866 97 2HB LEU 12 HB3 LEU 12 13.655 1.673 -0.010 98 HG LEU 12 HG LEU 12 12.534 1.496 2.462 99 1HD1 LEU 12 1HD1 LEU 12 15.411 2.197 3.073 100 2HD1 LEU 12 2HD1 LEU 12 14.068 2.039 4.224 101 3HD1 LEU 12 3HD1 LEU 12 14.714 0.599 3.384 102 1HD2 LEU 12 1HD2 LEU 12 12.903 3.878 2.625 103 2HD2 LEU 12 2HD2 LEU 12 14.196 3.752 1.387 104 3HD2 LEU 12 3HD2 LEU 12 12.515 3.314 0.979 105 H TYR 13 H TYR 13 14.060 -1.233 -1.255 106 HA TYR 13 HA TYR 13 11.608 -0.597 -2.698 107 1HB TYR 13 HB2 TYR 13 14.174 -1.995 -3.549 108 2HB TYR 13 HB3 TYR 13 12.957 -1.380 -4.625 109 HD1 TYR 13 HD1 TYR 13 12.620 1.207 -2.601 110 HD2 TYR 13 HD2 TYR 13 15.851 -0.565 -4.824 111 HE1 TYR 13 HE1 TYR 13 13.828 3.294 -2.398 112 HE2 TYR 13 HE2 TYR 13 17.047 1.618 -4.746 113 HH TYR 13 HH TYR 13 15.718 4.467 -3.062 114 H GLU 14 H GLU 14 12.999 -3.505 -1.288 115 HA GLU 14 HA GLU 14 10.816 -5.293 -2.142 116 1HB GLU 14 HB2 GLU 14 13.140 -5.997 -1.355 117 2HB GLU 14 HB3 GLU 14 12.637 -5.540 0.269 118 1HG GLU 14 HG2 GLU 14 12.387 -7.897 0.093 119 2HG GLU 14 HG3 GLU 14 10.753 -7.243 0.077 120 H ALA 15 H ALA 15 11.429 -3.132 0.547 121 HA ALA 15 HA ALA 15 9.564 -3.858 2.510 122 1HB ALA 15 HB1 ALA 15 9.765 -1.530 3.241 123 2HB ALA 15 HB2 ALA 15 11.356 -2.032 2.636 124 3HB ALA 15 HB3 ALA 15 10.264 -1.027 1.628 125 H SER 16 H SER 16 9.200 -1.896 -0.315 126 HA SER 16 HA SER 16 7.166 -0.189 0.207 127 1HB SER 16 HB2 SER 16 8.469 -1.528 -2.127 128 2HB SER 16 HB3 SER 16 7.038 -0.546 -2.506 129 HG SER 16 HG SER 16 8.336 1.093 -2.382 130 H ILE 17 H ILE 17 6.884 -3.458 -0.857 131 HA ILE 17 HA ILE 17 3.951 -3.370 -1.471 132 HB ILE 17 HB ILE 17 6.470 -3.633 -3.038 133 1HG1 ILE 17 2HG1 ILE 17 5.463 -2.586 -4.762 134 2HG1 ILE 17 3HG1 ILE 17 3.922 -3.324 -4.555 135 1HG2 ILE 17 1HG2 ILE 17 4.352 -5.615 -3.839 136 2HG2 ILE 17 2HG2 ILE 17 5.789 -5.164 -4.762 137 3HG2 ILE 17 3HG2 ILE 17 5.976 -5.971 -3.203 138 1HD1 ILE 17 1HD1 ILE 17 4.983 -0.985 -2.965 139 2HD1 ILE 17 2HD1 ILE 17 3.758 -0.915 -4.196 140 3HD1 ILE 17 3HD1 ILE 17 3.397 -1.719 -2.682 141 H ASP 18 H ASP 18 5.871 -4.629 0.677 142 HA ASP 18 HA ASP 18 5.949 -7.482 0.299 143 1HB ASP 18 HB2 ASP 18 7.585 -6.199 1.630 144 2HB ASP 18 HB3 ASP 18 6.328 -5.786 2.794 145 H GLU 19 H GLU 19 3.775 -5.411 2.102 146 HA GLU 19 HA GLU 19 1.775 -7.623 2.244 147 1HB GLU 19 HB2 GLU 19 1.107 -7.125 4.507 148 2HB GLU 19 HB3 GLU 19 2.789 -7.624 4.441 149 1HG GLU 19 HG2 GLU 19 3.559 -5.313 4.729 150 2HG GLU 19 HG3 GLU 19 1.888 -4.710 4.670 151 H PHE 20 H PHE 20 2.329 -4.171 2.138 152 HA PHE 20 HA PHE 20 -0.232 -3.105 2.425 153 1HB PHE 20 HB2 PHE 20 2.320 -2.213 1.913 154 2HB PHE 20 HB3 PHE 20 1.672 -2.045 0.294 155 HD1 PHE 20 HD1 PHE 20 -1.043 -0.975 0.632 156 HD2 PHE 20 HD2 PHE 20 2.597 -0.135 2.816 157 HE1 PHE 20 HE1 PHE 20 -1.868 1.285 1.126 158 HE2 PHE 20 HE2 PHE 20 1.735 2.130 3.334 159 HZ PHE 20 HZ PHE 20 -0.491 2.823 2.532 160 H MET 21 H MET 21 1.285 -4.114 -0.614 161 HA MET 21 HA MET 21 -0.841 -3.693 -2.451 162 1HB MET 21 HB2 MET 21 1.560 -5.525 -2.234 163 2HB MET 21 HB3 MET 21 0.392 -5.901 -3.486 164 1HG MET 21 HG2 MET 21 1.682 -3.167 -3.116 165 2HG MET 21 HG3 MET 21 2.296 -4.493 -4.156 166 1HE MET 21 HE1 MET 21 -1.336 -5.068 -4.988 167 2HE MET 21 HE2 MET 21 -1.011 -4.641 -6.660 168 3HE MET 21 HE3 MET 21 0.106 -5.734 -5.820 169 H GLY 22 H GLY 22 -0.267 -6.278 -0.165 170 1HA GLY 22 HA2 GLY 22 -2.518 -7.896 -1.112 171 2HA GLY 22 HA3 GLY 22 -1.544 -8.197 0.364 172 H LYS 23 H LYS 23 -2.047 -5.173 1.149 173 HA LYS 23 HA LYS 23 -4.177 -5.925 2.831 174 1HB LYS 23 HB2 LYS 23 -3.318 -4.550 4.309 175 2HB LYS 23 HB3 LYS 23 -1.900 -4.709 3.317 176 1HG LYS 23 HG2 LYS 23 -2.472 -2.653 2.191 177 2HG LYS 23 HG3 LYS 23 -3.869 -2.499 3.143 178 1HD LYS 23 HD2 LYS 23 -1.138 -2.859 4.412 179 2HD LYS 23 HD3 LYS 23 -1.712 -1.221 3.986 180 1HE LYS 23 HE2 LYS 23 -3.557 -1.409 5.530 181 2HE LYS 23 HE3 LYS 23 -3.290 -3.161 5.652 182 1HZ LYS 23 HZ1 LYS 23 -1.447 -1.116 6.737 183 2HZ LYS 23 HZ2 LYS 23 -2.491 -2.028 7.609 184 3HZ LYS 23 HZ3 LYS 23 -1.244 -2.745 6.832 185 H ILE 24 H ILE 24 -3.413 -3.760 0.166 186 HA ILE 24 HA ILE 24 -6.127 -2.789 -0.163 187 HB ILE 24 HB ILE 24 -5.072 -2.175 -2.437 188 1HG1 ILE 24 2HG1 ILE 24 -2.536 -1.552 -1.192 189 2HG1 ILE 24 3HG1 ILE 24 -2.786 -3.174 -1.811 190 1HG2 ILE 24 1HG2 ILE 24 -5.857 -0.638 -0.569 191 2HG2 ILE 24 2HG2 ILE 24 -4.337 -0.966 0.310 192 3HG2 ILE 24 3HG2 ILE 24 -4.319 -0.093 -1.207 193 1HD1 ILE 24 1HD1 ILE 24 -1.814 -2.128 -3.482 194 2HD1 ILE 24 2HD1 ILE 24 -3.505 -2.616 -3.872 195 3HD1 ILE 24 3HD1 ILE 24 -3.098 -0.916 -3.491 196 H ALA 25 H ALA 25 -4.214 -5.384 -1.746 197 HA ALA 25 HA ALA 25 -6.231 -5.862 -3.726 198 1HB ALA 25 HB1 ALA 25 -3.986 -6.679 -4.089 199 2HB ALA 25 HB2 ALA 25 -4.112 -7.751 -2.672 200 3HB ALA 25 HB3 ALA 25 -5.115 -8.031 -4.106 201 H SER 26 H SER 26 -5.942 -6.695 -0.406 202 HA SER 26 HA SER 26 -8.189 -8.553 -0.496 203 1HB SER 26 HB2 SER 26 -7.313 -9.797 1.133 204 2HB SER 26 HB3 SER 26 -5.826 -9.180 0.468 205 HG SER 26 HG SER 26 -7.262 -8.003 2.622 206 H CYS 27 H CYS 27 -8.309 -5.482 -0.297 207 HA CYS 27 HA CYS 27 -8.782 -4.746 2.319 208 1HB CYS 27 HB2 CYS 27 -9.564 -2.630 1.283 209 2HB CYS 27 HB3 CYS 27 -8.142 -3.265 0.424 210 HG CYS 27 HG CYS 27 -8.906 -3.849 -1.628 211 H GLN 28 H GLN 28 -10.798 -6.320 0.159 212 HA GLN 28 HA GLN 28 -12.864 -7.175 -0.032 213 1HB GLN 28 HB2 GLN 28 -12.885 -6.718 2.972 214 2HB GLN 28 HB3 GLN 28 -14.083 -7.711 2.143 215 1HG GLN 28 HG2 GLN 28 -12.619 -9.448 1.779 216 2HG GLN 28 HG3 GLN 28 -11.204 -8.401 1.724 217 1HE2 GLN 28 1HE2 GLN 28 -10.166 -7.789 3.599 218 2HE2 GLN 28 2HE2 GLN 28 -10.640 -8.358 5.200 219 H THR 29 H THR 29 -12.724 -3.969 0.720 220 HA THR 29 HA THR 29 -15.576 -3.366 0.225 221 HB THR 29 HB THR 29 -15.445 -1.803 2.247 222 HG1 THR 29 HG1 THR 29 -13.227 -3.433 2.791 223 1HG2 THR 29 1HG2 THR 29 -16.252 -3.399 3.888 224 2HG2 THR 29 2HG2 THR 29 -16.861 -3.880 2.296 225 3HG2 THR 29 3HG2 THR 29 -15.486 -4.748 3.034 226 H LEU 30 H LEU 30 -15.771 -1.210 -0.544 227 HA LEU 30 HA LEU 30 -13.207 -0.175 -1.562 228 1HB LEU 30 HB2 LEU 30 -15.552 0.114 -2.777 229 2HB LEU 30 HB3 LEU 30 -15.795 1.306 -1.542 230 HG LEU 30 HG LEU 30 -13.077 1.752 -2.316 231 1HD1 LEU 30 1HD1 LEU 30 -14.550 0.910 -4.639 232 2HD1 LEU 30 2HD1 LEU 30 -13.311 2.131 -4.717 233 3HD1 LEU 30 3HD1 LEU 30 -12.907 0.570 -4.059 234 1HD2 LEU 30 1HD2 LEU 30 -14.688 3.309 -1.724 235 2HD2 LEU 30 2HD2 LEU 30 -13.784 3.707 -3.266 236 3HD2 LEU 30 3HD2 LEU 30 -15.475 3.066 -3.358 237 H GLU 31 H GLU 31 -15.651 0.404 0.808 238 HA GLU 31 HA GLU 31 -14.918 2.879 1.716 239 1HB GLU 31 HB2 GLU 31 -16.991 1.266 1.918 240 2HB GLU 31 HB3 GLU 31 -16.162 0.563 3.311 241 1HG GLU 31 HG2 GLU 31 -15.972 2.737 4.229 242 2HG GLU 31 HG3 GLU 31 -16.976 3.481 2.969 243 H GLY 32 H GLY 32 -13.818 -0.309 2.555 244 1HA GLY 32 HA2 GLY 32 -11.888 0.683 4.508 245 2HA GLY 32 HA3 GLY 32 -11.981 -1.005 3.926 246 H LEU 33 H LEU 33 -11.682 -0.311 1.116 247 HA LEU 33 HA LEU 33 -8.877 0.001 0.849 248 1HB LEU 33 HB2 LEU 33 -10.624 -0.901 -0.774 249 2HB LEU 33 HB3 LEU 33 -11.315 0.599 -0.974 250 HG LEU 33 HG LEU 33 -9.555 1.557 -2.241 251 1HD1 LEU 33 1HD1 LEU 33 -7.548 0.272 -2.836 252 2HD1 LEU 33 2HD1 LEU 33 -7.574 0.868 -1.177 253 3HD1 LEU 33 3HD1 LEU 33 -7.914 -0.878 -1.511 254 1HD2 LEU 33 1HD2 LEU 33 -9.729 -1.336 -3.030 255 2HD2 LEU 33 2HD2 LEU 33 -11.026 -0.133 -3.310 256 3HD2 LEU 33 3HD2 LEU 33 -9.437 0.082 -4.067 257 H GLU 34 H GLU 34 -11.371 2.314 0.512 258 HA GLU 34 HA GLU 34 -10.035 4.735 0.093 259 1HB GLU 34 HB2 GLU 34 -12.568 3.809 1.278 260 2HB GLU 34 HB3 GLU 34 -12.197 5.548 1.389 261 1HG GLU 34 HG2 GLU 34 -12.242 3.976 -1.269 262 2HG GLU 34 HG3 GLU 34 -13.582 4.849 -0.533 263 H GLU 35 H GLU 35 -10.631 2.958 3.046 264 HA GLU 35 HA GLU 35 -9.594 5.024 4.942 265 1HB GLU 35 HB2 GLU 35 -10.197 2.083 5.432 266 2HB GLU 35 HB3 GLU 35 -9.565 3.179 6.628 267 1HG GLU 35 HG2 GLU 35 -12.035 4.023 5.215 268 2HG GLU 35 HG3 GLU 35 -12.184 2.645 6.324 269 H LEU 36 H LEU 36 -8.505 1.962 3.505 270 HA LEU 36 HA LEU 36 -5.850 2.030 4.352 271 1HB LEU 36 HB2 LEU 36 -6.671 0.959 1.655 272 2HB LEU 36 HB3 LEU 36 -5.189 0.636 2.498 273 HG LEU 36 HG LEU 36 -7.889 -0.195 3.591 274 1HD1 LEU 36 1HD1 LEU 36 -5.806 -1.795 2.044 275 2HD1 LEU 36 2HD1 LEU 36 -7.311 -2.420 2.751 276 3HD1 LEU 36 3HD1 LEU 36 -7.365 -1.298 1.383 277 1HD2 LEU 36 1HD2 LEU 36 -5.039 -0.811 4.143 278 2HD2 LEU 36 2HD2 LEU 36 -6.212 -0.003 5.229 279 3HD2 LEU 36 3HD2 LEU 36 -6.420 -1.734 4.833 280 H GLU 37 H GLU 37 -7.433 3.565 1.508 281 HA GLU 37 HA GLU 37 -5.285 4.646 0.363 282 1HB GLU 37 HB2 GLU 37 -7.674 4.572 -0.349 283 2HB GLU 37 HB3 GLU 37 -7.979 6.096 0.368 284 1HG GLU 37 HG2 GLU 37 -5.759 5.511 -1.596 285 2HG GLU 37 HG3 GLU 37 -7.386 5.924 -2.179 286 H ALA 38 H ALA 38 -7.476 6.064 2.753 287 HA ALA 38 HA ALA 38 -6.030 8.454 3.054 288 1HB ALA 38 HB1 ALA 38 -7.277 8.645 5.257 289 2HB ALA 38 HB2 ALA 38 -8.354 8.219 3.901 290 3HB ALA 38 HB3 ALA 38 -7.821 6.970 5.059 291 H TYR 39 H TYR 39 -5.816 5.310 4.879 292 HA TYR 39 HA TYR 39 -3.903 6.170 6.688 293 1HB TYR 39 HB2 TYR 39 -4.639 4.186 7.472 294 2HB TYR 39 HB3 TYR 39 -5.033 3.618 5.855 295 HD1 TYR 39 HD1 TYR 39 -2.249 3.720 8.338 296 HD2 TYR 39 HD2 TYR 39 -3.657 2.277 4.532 297 HE1 TYR 39 HE1 TYR 39 -0.236 2.274 8.111 298 HE2 TYR 39 HE2 TYR 39 -1.636 0.982 4.236 299 HH TYR 39 HH TYR 39 0.414 0.383 5.142 300 H TYR 40 H TYR 40 -3.411 4.859 3.429 301 HA TYR 40 HA TYR 40 -0.538 4.834 3.178 302 1HB TYR 40 HB2 TYR 40 -2.046 3.915 1.472 303 2HB TYR 40 HB3 TYR 40 -2.947 5.401 1.419 304 HD1 TYR 40 HD1 TYR 40 0.699 4.539 0.766 305 HD2 TYR 40 HD2 TYR 40 -2.952 6.474 -0.515 306 HE1 TYR 40 HE1 TYR 40 1.801 5.266 -1.319 307 HE2 TYR 40 HE2 TYR 40 -1.807 7.288 -2.532 308 HH TYR 40 HH TYR 40 1.588 7.037 -3.107 309 H LYS 41 H LYS 41 -2.892 7.459 2.338 310 HA LYS 41 HA LYS 41 -0.944 9.405 1.854 311 1HB LYS 41 HB2 LYS 41 -3.772 9.772 2.775 312 2HB LYS 41 HB3 LYS 41 -2.733 11.041 2.101 313 1HG LYS 41 HG2 LYS 41 -2.852 8.519 0.455 314 2HG LYS 41 HG3 LYS 41 -4.341 9.349 0.680 315 1HD LYS 41 HD2 LYS 41 -3.454 10.251 -1.300 316 2HD LYS 41 HD3 LYS 41 -3.019 11.494 -0.121 317 1HE LYS 41 HE2 LYS 41 -0.904 9.871 0.119 318 2HE LYS 41 HE3 LYS 41 -1.351 9.378 -1.507 319 1HZ LYS 41 HZ1 LYS 41 -1.199 11.679 -2.220 320 2HZ LYS 41 HZ2 LYS 41 -0.745 12.163 -0.721 321 3HZ LYS 41 HZ3 LYS 41 0.234 11.181 -1.598 322 H LYS 42 H LYS 42 -2.460 8.545 4.982 323 HA LYS 42 HA LYS 42 -1.565 10.629 6.665 324 1HB LYS 42 HB2 LYS 42 -2.614 7.795 6.818 325 2HB LYS 42 HB3 LYS 42 -2.274 8.629 8.252 326 1HG LYS 42 HG2 LYS 42 -4.168 9.653 6.136 327 2HG LYS 42 HG3 LYS 42 -4.679 8.646 7.508 328 1HD LYS 42 HD2 LYS 42 -4.182 10.447 9.050 329 2HD LYS 42 HD3 LYS 42 -3.367 11.362 7.757 330 1HE LYS 42 HE2 LYS 42 -5.560 11.117 6.425 331 2HE LYS 42 HE3 LYS 42 -6.312 10.602 7.949 332 1HZ LYS 42 HZ1 LYS 42 -6.633 12.953 7.615 333 2HZ LYS 42 HZ2 LYS 42 -5.667 12.736 8.916 334 3HZ LYS 42 HZ3 LYS 42 -5.028 13.236 7.486 335 H ARG 43 H ARG 43 -0.274 7.358 5.884 336 HA ARG 43 HA ARG 43 1.931 7.472 7.757 337 1HB ARG 43 HB2 ARG 43 1.016 5.360 6.949 338 2HB ARG 43 HB3 ARG 43 1.367 5.782 5.264 339 1HG ARG 43 HG2 ARG 43 3.790 5.853 5.779 340 2HG ARG 43 HG3 ARG 43 3.466 5.317 7.434 341 1HD ARG 43 HD2 ARG 43 2.746 3.776 4.899 342 2HD ARG 43 HD3 ARG 43 4.259 3.564 5.767 343 HE ARG 43 HE ARG 43 1.678 2.463 6.437 344 1HH1 ARG 43 1HH2 ARG 43 4.694 3.389 7.972 345 2HH1 ARG 43 2HH2 ARG 43 4.534 2.163 9.212 346 1HH2 ARG 43 1HH1 ARG 43 1.623 0.863 7.952 347 2HH2 ARG 43 2HH1 ARG 43 2.825 0.804 9.220 348 H VAL 44 H VAL 44 1.895 8.327 4.177 349 HA VAL 44 HA VAL 44 4.632 7.877 4.314 350 HB VAL 44 HB VAL 44 4.760 7.875 2.310 351 1HG1 VAL 44 1HG1 VAL 44 2.629 6.673 2.719 352 2HG1 VAL 44 2HG1 VAL 44 1.806 8.084 1.959 353 3HG1 VAL 44 3HG1 VAL 44 2.930 7.117 1.038 354 1HG2 VAL 44 1HG2 VAL 44 3.751 9.318 0.513 355 2HG2 VAL 44 2HG2 VAL 44 2.993 10.298 1.796 356 3HG2 VAL 44 3HG2 VAL 44 4.781 10.196 1.632 357 H LYS 45 H LYS 45 3.125 10.637 5.181 358 HA LYS 45 HA LYS 45 5.489 12.382 5.288 359 1HB LYS 45 HB2 LYS 45 4.049 13.997 6.108 360 2HB LYS 45 HB3 LYS 45 3.035 12.986 5.092 361 1HG LYS 45 HG2 LYS 45 2.588 11.677 7.365 362 2HG LYS 45 HG3 LYS 45 3.223 13.153 8.089 363 1HD LYS 45 HD2 LYS 45 0.823 13.244 8.112 364 2HD LYS 45 HD3 LYS 45 1.361 14.421 6.904 365 1HE LYS 45 HE2 LYS 45 0.929 11.587 5.938 366 2HE LYS 45 HE3 LYS 45 -0.528 12.427 6.513 367 1HZ LYS 45 HZ1 LYS 45 -0.195 14.182 4.964 368 2HZ LYS 45 HZ2 LYS 45 1.226 13.558 4.416 369 3HZ LYS 45 HZ3 LYS 45 -0.174 12.750 4.157 370 H GLU 46 H GLU 46 4.073 9.984 7.324 371 HA GLU 46 HA GLU 46 5.302 10.570 9.889 372 1HB GLU 46 HB2 GLU 46 3.155 9.350 9.566 373 2HB GLU 46 HB3 GLU 46 4.090 8.013 8.869 374 1HG GLU 46 HG2 GLU 46 5.140 7.469 10.855 375 2HG GLU 46 HG3 GLU 46 4.746 9.050 11.516 376 H THR 47 H THR 47 6.065 8.989 7.000 377 HA THR 47 HA THR 47 8.783 8.456 7.983 378 HB THR 47 HB THR 47 7.961 6.270 7.970 379 HG1 THR 47 HG1 THR 47 9.765 5.982 6.996 380 1HG2 THR 47 1HG2 THR 47 6.606 6.801 5.305 381 2HG2 THR 47 2HG2 THR 47 6.760 5.195 6.072 382 3HG2 THR 47 3HG2 THR 47 5.843 6.475 6.872 383 H GLU 48 H GLU 48 8.670 7.524 4.738 384 HA GLU 48 HA GLU 48 8.364 10.191 3.635 385 1HB GLU 48 HB2 GLU 48 10.377 10.126 2.213 386 2HB GLU 48 HB3 GLU 48 10.600 10.504 3.931 387 1HG GLU 48 HG2 GLU 48 11.343 8.347 4.462 388 2HG GLU 48 HG3 GLU 48 10.616 7.710 2.986 389 H LEU 49 H LEU 49 8.288 6.932 3.099 390 HA LEU 49 HA LEU 49 8.330 5.556 1.398 391 1HB LEU 49 HB2 LEU 49 6.603 5.099 0.382 392 2HB LEU 49 HB3 LEU 49 5.956 6.079 1.670 393 HG LEU 49 HG LEU 49 4.969 7.527 0.273 394 1HD1 LEU 49 1HD1 LEU 49 6.645 7.156 -2.173 395 2HD1 LEU 49 2HD1 LEU 49 5.276 8.230 -1.877 396 3HD1 LEU 49 3HD1 LEU 49 6.793 8.514 -1.010 397 1HD2 LEU 49 1HD2 LEU 49 3.905 6.242 -1.452 398 2HD2 LEU 49 2HD2 LEU 49 5.313 5.153 -1.503 399 3HD2 LEU 49 3HD2 LEU 49 4.295 5.197 -0.068 400 H LYS 50 H LYS 50 8.068 5.408 -1.092 401 HA LYS 50 HA LYS 50 9.929 7.251 -2.439 402 1HB LYS 50 HB2 LYS 50 11.564 5.734 -3.006 403 2HB LYS 50 HB3 LYS 50 11.324 5.350 -1.368 404 1HG LYS 50 HG2 LYS 50 9.671 3.659 -3.153 405 2HG LYS 50 HG3 LYS 50 11.402 3.597 -3.495 406 1HD LYS 50 HD2 LYS 50 10.729 1.889 -1.893 407 2HD LYS 50 HD3 LYS 50 11.834 3.097 -1.176 408 1HE LYS 50 HE2 LYS 50 10.031 4.229 -0.130 409 2HE LYS 50 HE3 LYS 50 8.808 3.227 -0.938 410 1HZ LYS 50 HZ1 LYS 50 8.971 2.357 1.221 411 2HZ LYS 50 HZ2 LYS 50 9.771 1.280 0.259 412 3HZ LYS 50 HZ3 LYS 50 10.615 2.315 1.212 413 H ASP 51 H ASP 51 10.138 6.563 -4.762 414 HA ASP 51 HA ASP 51 7.514 6.685 -5.933 415 1HB ASP 51 HB2 ASP 51 10.161 5.879 -7.211 416 2HB ASP 51 HB3 ASP 51 8.687 6.288 -8.103 417 H THR 52 H THR 52 9.755 3.988 -5.522 418 HA THR 52 HA THR 52 8.427 1.959 -6.955 419 HB THR 52 HB THR 52 9.964 1.971 -4.356 420 HG1 THR 52 HG1 THR 52 11.803 1.577 -5.618 421 1HG2 THR 52 1HG2 THR 52 9.485 -0.423 -6.154 422 2HG2 THR 52 2HG2 THR 52 10.845 -0.348 -4.998 423 3HG2 THR 52 3HG2 THR 52 9.184 -0.236 -4.405 424 H ASP 53 H ASP 53 7.699 3.132 -3.675 425 HA ASP 53 HA ASP 53 5.748 0.933 -3.167 426 1HB ASP 53 HB2 ASP 53 6.825 1.781 -1.224 427 2HB ASP 53 HB3 ASP 53 6.592 3.462 -1.640 428 H ASP 54 H ASP 54 5.920 4.348 -3.860 429 HA ASP 54 HA ASP 54 3.247 4.875 -3.393 430 1HB ASP 54 HB2 ASP 54 5.337 6.337 -3.691 431 2HB ASP 54 HB3 ASP 54 5.093 6.292 -5.392 432 H ILE 55 H ILE 55 4.849 4.165 -6.454 433 HA ILE 55 HA ILE 55 2.400 4.719 -8.057 434 HB ILE 55 HB ILE 55 4.499 2.990 -9.286 435 1HG1 ILE 55 2HG1 ILE 55 5.400 5.727 -9.721 436 2HG1 ILE 55 3HG1 ILE 55 5.392 5.373 -8.024 437 1HG2 ILE 55 1HG2 ILE 55 2.519 3.707 -10.549 438 2HG2 ILE 55 2HG2 ILE 55 2.944 5.419 -10.290 439 3HG2 ILE 55 3HG2 ILE 55 3.999 4.369 -11.264 440 1HD1 ILE 55 1HD1 ILE 55 6.550 3.141 -8.498 441 2HD1 ILE 55 2HD1 ILE 55 6.633 3.625 -10.219 442 3HD1 ILE 55 3HD1 ILE 55 7.516 4.555 -8.989 443 H SER 56 H SER 56 4.186 1.940 -6.796 444 HA SER 56 HA SER 56 2.852 0.049 -8.527 445 1HB SER 56 HB2 SER 56 4.848 0.112 -6.391 446 2HB SER 56 HB3 SER 56 3.886 -1.364 -6.334 447 HG SER 56 HG SER 56 5.754 -1.505 -7.717 448 H VAL 57 H VAL 57 2.479 1.042 -5.214 449 HA VAL 57 HA VAL 57 0.288 -0.729 -4.570 450 HB VAL 57 HB VAL 57 2.186 0.378 -3.085 451 1HG1 VAL 57 1HG1 VAL 57 -0.152 2.150 -2.547 452 2HG1 VAL 57 2HG1 VAL 57 1.383 1.992 -1.626 453 3HG1 VAL 57 3HG1 VAL 57 1.472 2.615 -3.285 454 1HG2 VAL 57 1HG2 VAL 57 0.607 -1.384 -2.373 455 2HG2 VAL 57 2HG2 VAL 57 0.870 -0.145 -1.129 456 3HG2 VAL 57 3HG2 VAL 57 -0.626 -0.135 -2.100 457 H ARG 58 H ARG 58 0.521 2.914 -5.118 458 HA ARG 58 HA ARG 58 -2.221 3.149 -4.739 459 1HB ARG 58 HB2 ARG 58 -0.247 4.886 -5.307 460 2HB ARG 58 HB3 ARG 58 -1.126 5.045 -6.768 461 1HG ARG 58 HG2 ARG 58 -2.163 5.322 -3.889 462 2HG ARG 58 HG3 ARG 58 -1.797 6.667 -5.002 463 1HD ARG 58 HD2 ARG 58 -3.501 5.560 -6.546 464 2HD ARG 58 HD3 ARG 58 -4.024 4.596 -5.165 465 HE ARG 58 HE ARG 58 -4.497 6.679 -3.893 466 1HH1 ARG 58 2HH1 ARG 58 -4.513 7.085 -7.403 467 2HH1 ARG 58 1HH1 ARG 58 -5.470 8.539 -7.268 468 1HH2 ARG 58 1HH2 ARG 58 -5.652 8.445 -3.837 469 2HH2 ARG 58 2HH2 ARG 58 -6.117 9.296 -5.310 470 H ASP 59 H ASP 59 -0.406 2.386 -7.677 471 HA ASP 59 HA ASP 59 -2.635 2.758 -9.389 472 1HB ASP 59 HB2 ASP 59 -0.312 2.540 -10.185 473 2HB ASP 59 HB3 ASP 59 -0.310 0.825 -9.771 474 H ALA 60 H ALA 60 -1.889 0.253 -7.266 475 HA ALA 60 HA ALA 60 -3.536 -1.941 -8.236 476 1HB ALA 60 HB1 ALA 60 -2.564 -3.039 -6.233 477 2HB ALA 60 HB2 ALA 60 -1.330 -2.466 -7.394 478 3HB ALA 60 HB3 ALA 60 -1.626 -1.560 -5.897 479 H LEU 61 H LEU 61 -3.278 0.272 -5.431 480 HA LEU 61 HA LEU 61 -5.565 -0.362 -4.050 481 1HB LEU 61 HB2 LEU 61 -3.507 1.038 -3.550 482 2HB LEU 61 HB3 LEU 61 -4.149 2.324 -4.509 483 HG LEU 61 HG LEU 61 -5.660 1.121 -2.317 484 1HD1 LEU 61 1HD1 LEU 61 -3.614 3.318 -1.992 485 2HD1 LEU 61 2HD1 LEU 61 -4.590 2.525 -0.693 486 3HD1 LEU 61 3HD1 LEU 61 -3.343 1.611 -1.568 487 1HD2 LEU 61 1HD2 LEU 61 -5.696 3.952 -3.377 488 2HD2 LEU 61 2HD2 LEU 61 -6.964 2.725 -3.575 489 3HD2 LEU 61 3HD2 LEU 61 -6.622 3.356 -1.969 490 H ALA 62 H ALA 62 -4.970 2.263 -6.341 491 HA ALA 62 HA ALA 62 -7.661 2.870 -6.947 492 1HB ALA 62 HB1 ALA 62 -5.774 4.400 -7.460 493 2HB ALA 62 HB2 ALA 62 -5.218 3.264 -8.722 494 3HB ALA 62 HB3 ALA 62 -6.777 4.086 -8.898 495 H GLY 63 H GLY 63 -5.697 0.340 -7.844 496 1HA GLY 63 HA2 GLY 63 -6.559 -0.654 -10.326 497 2HA GLY 63 HA3 GLY 63 -5.756 -1.522 -9.062 498 H LYS 64 H LYS 64 -7.178 -1.352 -6.902 499 HA LYS 64 HA LYS 64 -9.479 -3.098 -7.338 500 1HB LYS 64 HB2 LYS 64 -7.618 -3.417 -5.582 501 2HB LYS 64 HB3 LYS 64 -8.436 -2.136 -4.705 502 1HG LYS 64 HG2 LYS 64 -9.895 -3.681 -3.903 503 2HG LYS 64 HG3 LYS 64 -10.481 -3.898 -5.543 504 1HD LYS 64 HD2 LYS 64 -8.218 -5.467 -4.291 505 2HD LYS 64 HD3 LYS 64 -9.888 -6.030 -4.447 506 1HE LYS 64 HE2 LYS 64 -9.730 -5.830 -6.928 507 2HE LYS 64 HE3 LYS 64 -8.033 -5.350 -6.775 508 1HZ LYS 64 HZ1 LYS 64 -7.593 -7.508 -5.773 509 2HZ LYS 64 HZ2 LYS 64 -9.175 -7.931 -5.889 510 3HZ LYS 64 HZ3 LYS 64 -8.286 -7.700 -7.244 511 H ARG 65 H ARG 65 -8.974 0.228 -6.492 512 HA ARG 65 HA ARG 65 -11.346 0.753 -5.286 513 1HB ARG 65 HB2 ARG 65 -9.291 2.163 -5.704 514 2HB ARG 65 HB3 ARG 65 -10.090 2.744 -7.152 515 1HG ARG 65 HG2 ARG 65 -11.674 4.018 -5.891 516 2HG ARG 65 HG3 ARG 65 -11.532 2.947 -4.537 517 1HD ARG 65 HD2 ARG 65 -9.311 3.629 -3.991 518 2HD ARG 65 HD3 ARG 65 -9.092 4.411 -5.547 519 HE ARG 65 HE ARG 65 -10.382 5.536 -3.154 520 1HH1 ARG 65 1HH1 ARG 65 -10.106 6.059 -6.646 521 2HH1 ARG 65 2HH1 ARG 65 -10.591 7.727 -6.480 522 1HH2 ARG 65 2HH2 ARG 65 -10.994 7.519 -3.056 523 2HH2 ARG 65 1HH2 ARG 65 -11.130 8.560 -4.479 524 H ALA 66 H ALA 66 -10.715 0.748 -8.740 525 HA ALA 66 HA ALA 66 -13.350 1.634 -9.568 526 1HB ALA 66 HB1 ALA 66 -12.818 0.607 -11.719 527 2HB ALA 66 HB2 ALA 66 -11.462 1.642 -11.147 528 3HB ALA 66 HB3 ALA 66 -11.375 -0.151 -11.039 529 H GLU 67 H GLU 67 -12.045 -1.486 -8.529 530 HA GLU 67 HA GLU 67 -13.969 -3.253 -9.793 531 1HB GLU 67 HB2 GLU 67 -12.238 -3.688 -7.366 532 2HB GLU 67 HB3 GLU 67 -12.982 -4.926 -8.381 533 1HG GLU 67 HG2 GLU 67 -10.841 -2.940 -9.326 534 2HG GLU 67 HG3 GLU 67 -10.620 -4.501 -8.590 535 H LEU 68 H LEU 68 -13.345 -1.585 -6.840 536 HA LEU 68 HA LEU 68 -15.232 -3.012 -5.177 537 1HB LEU 68 HB2 LEU 68 -12.974 -1.265 -4.860 538 2HB LEU 68 HB3 LEU 68 -14.237 -1.197 -3.603 539 HG LEU 68 HG LEU 68 -12.856 -3.716 -4.612 540 1HD1 LEU 68 1HD1 LEU 68 -11.924 -3.673 -2.510 541 2HD1 LEU 68 2HD1 LEU 68 -11.536 -2.277 -3.567 542 3HD1 LEU 68 3HD1 LEU 68 -12.666 -2.070 -2.167 543 1HD2 LEU 68 1HD2 LEU 68 -14.684 -2.989 -2.220 544 2HD2 LEU 68 2HD2 LEU 68 -15.198 -4.188 -3.452 545 3HD2 LEU 68 3HD2 LEU 68 -13.878 -4.553 -2.331 546 H GLU 69 H GLU 69 -14.950 0.015 -6.792 547 HA GLU 69 HA GLU 69 -17.271 1.360 -5.859 548 1HB GLU 69 HB2 GLU 69 -15.051 1.505 -7.895 549 2HB GLU 69 HB3 GLU 69 -16.409 2.156 -8.353 550 1HG GLU 69 HG2 GLU 69 -16.310 3.514 -5.987 551 2HG GLU 69 HG3 GLU 69 -14.673 2.940 -6.024 552 H ASP 70 H ASP 70 -16.444 -0.789 -8.454 553 HA ASP 70 HA ASP 70 -19.161 -1.008 -9.648 554 1HB ASP 70 HB2 ASP 70 -16.527 -2.331 -10.097 555 2HB ASP 70 HB3 ASP 70 -17.897 -3.378 -10.275 556 H SER 71 H SER 71 -17.436 -2.114 -6.882 557 HA SER 71 HA SER 71 -19.674 -3.998 -6.221 558 1HB SER 71 HB2 SER 71 -17.276 -4.802 -6.125 559 2HB SER 71 HB3 SER 71 -17.053 -3.763 -4.691 560 HG SER 71 HG SER 71 -18.833 -4.879 -3.751 561 H ASP 72 H ASP 72 -19.752 -0.971 -6.021 562 HA ASP 72 HA ASP 72 -19.629 0.057 -3.458 563 1HB ASP 72 HB2 ASP 72 -19.968 1.432 -5.365 564 2HB ASP 72 HB3 ASP 72 -21.573 0.710 -5.694 565 H ASP 73 H ASP 73 -22.065 -2.095 -4.763 566 HA ASP 73 HA ASP 73 -24.024 -2.083 -2.627 567 1HB ASP 73 HB2 ASP 73 -23.357 -3.917 -4.955 568 2HB ASP 73 HB3 ASP 73 -24.681 -4.162 -3.824 569 H GLU 74 H GLU 74 -22.391 -2.166 -0.964 570 HA GLU 74 HA GLU 74 -20.618 -4.458 -0.615 571 1HB GLU 74 HB2 GLU 74 -21.200 -2.035 1.119 572 2HB GLU 74 HB3 GLU 74 -19.992 -3.265 1.523 573 1HG GLU 74 HG2 GLU 74 -18.844 -2.863 -0.641 574 2HG GLU 74 HG3 GLU 74 -19.960 -1.527 -0.958 575 H VAL 75 H VAL 75 -20.318 -5.451 1.505 576 HA VAL 75 HA VAL 75 -22.190 -7.371 2.121 577 HB VAL 75 HB VAL 75 -20.129 -6.183 4.015 578 1HG1 VAL 75 1HG1 VAL 75 -20.191 -8.428 5.141 579 2HG1 VAL 75 2HG1 VAL 75 -21.691 -7.537 5.352 580 3HG1 VAL 75 3HG1 VAL 75 -21.617 -8.847 4.161 581 1HG2 VAL 75 1HG2 VAL 75 -19.102 -7.069 1.943 582 2HG2 VAL 75 2HG2 VAL 75 -18.740 -8.117 3.314 583 3HG2 VAL 75 3HG2 VAL 75 -19.991 -8.594 2.152 584 H GLU 76 H GLU 76 -23.831 -7.685 3.346 585 HA GLU 76 HA GLU 76 -25.608 -7.567 4.590 586 1HB GLU 76 HB2 GLU 76 -25.346 -7.282 6.763 587 2HB GLU 76 HB3 GLU 76 -23.669 -7.214 6.328 588 1HG GLU 76 HG2 GLU 76 -23.697 -4.738 6.463 589 2HG GLU 76 HG3 GLU 76 -25.438 -4.764 6.760 590 H GLU 77 H GLU 77 -24.536 -4.386 3.778 591 HA GLU 77 HA GLU 77 -27.078 -3.010 4.314 592 1HB GLU 77 HB2 GLU 77 -24.744 -2.169 2.553 593 2HB GLU 77 HB3 GLU 77 -26.144 -1.168 2.976 594 1HG GLU 77 HG2 GLU 77 -25.511 -1.517 5.427 595 2HG GLU 77 HG3 GLU 77 -23.997 -2.240 4.839 596 H SER 78 H SER 78 -25.555 -4.628 1.621 597 HA SER 78 HA SER 78 -28.213 -5.068 0.510 598 1HB SER 78 HB2 SER 78 -27.477 -4.439 -1.839 599 2HB SER 78 HB3 SER 78 -27.538 -3.074 -0.718 600 HG SER 78 HG SER 78 -25.246 -3.413 -0.392 601 H PHE 79 H PHE 79 -25.602 -6.572 1.590 602 HA PHE 79 HA PHE 79 -26.055 -8.923 -0.083 603 1HB PHE 79 HB2 PHE 79 -24.248 -7.723 -1.258 604 2HB PHE 79 HB3 PHE 79 -23.274 -7.731 0.200 605 HD1 PHE 79 HD2 PHE 79 -25.109 -10.062 -2.122 606 HD2 PHE 79 HD1 PHE 79 -21.705 -9.519 0.461 607 HE1 PHE 79 HE2 PHE 79 -24.227 -12.264 -2.838 608 HE2 PHE 79 HE1 PHE 79 -20.802 -11.716 -0.276 609 HZ PHE 79 HZ PHE 79 -22.064 -13.098 -1.919 Start of MODEL 19 1 1H GLY 1 H1 GLY 1 24.871 -3.958 10.971 2 2H GLY 1 H2 GLY 1 24.882 -5.115 12.130 3 3H GLY 1 H3 GLY 1 24.064 -5.362 10.738 4 1HA GLY 1 HA2 GLY 1 26.999 -5.110 10.993 5 2HA GLY 1 HA3 GLY 1 26.120 -6.625 10.719 6 H SER 2 H SER 2 27.843 -6.471 8.930 7 HA SER 2 HA SER 2 27.502 -4.674 6.732 8 1HB SER 2 HB2 SER 2 28.934 -7.358 6.795 9 2HB SER 2 HB3 SER 2 29.193 -6.050 5.636 10 HG SER 2 HG SER 2 30.760 -6.057 7.310 11 H HIS 3 H HIS 3 25.600 -7.431 7.442 12 HA HIS 3 HA HIS 3 25.185 -8.638 4.941 13 1HB HIS 3 HB2 HIS 3 24.437 -9.572 7.082 14 2HB HIS 3 HB3 HIS 3 23.236 -8.288 7.253 15 HD2 HIS 3 HD2 HIS 3 24.058 -11.303 4.930 16 HE1 HIS 3 HE1 HIS 3 19.896 -10.493 4.499 17 HE2 HIS 3 HE2 HIS 3 21.785 -12.061 3.833 18 H MET 4 H MET 4 23.925 -8.305 3.207 19 HA MET 4 HA MET 4 21.672 -6.484 3.072 20 1HB MET 4 HB2 MET 4 22.570 -5.063 1.251 21 2HB MET 4 HB3 MET 4 23.429 -4.811 2.761 22 1HG MET 4 HG2 MET 4 25.276 -6.254 1.985 23 2HG MET 4 HG3 MET 4 24.433 -6.524 0.453 24 1HE MET 4 HE1 MET 4 27.473 -5.532 0.745 25 2HE MET 4 HE2 MET 4 26.660 -5.872 -0.799 26 3HE MET 4 HE3 MET 4 27.511 -4.328 -0.561 27 H LEU 5 H LEU 5 20.641 -6.493 0.933 28 HA LEU 5 HA LEU 5 20.335 -9.214 0.031 29 1HB LEU 5 HB2 LEU 5 19.214 -6.608 -1.093 30 2HB LEU 5 HB3 LEU 5 18.730 -8.233 -1.544 31 HG LEU 5 HG LEU 5 18.165 -8.551 1.000 32 1HD1 LEU 5 1HD1 LEU 5 18.125 -5.507 0.766 33 2HD1 LEU 5 2HD1 LEU 5 17.247 -6.431 2.002 34 3HD1 LEU 5 3HD1 LEU 5 18.998 -6.479 1.979 35 1HD2 LEU 5 1HD2 LEU 5 16.519 -8.487 -0.867 36 2HD2 LEU 5 2HD2 LEU 5 15.898 -7.680 0.569 37 3HD2 LEU 5 3HD2 LEU 5 16.508 -6.713 -0.796 38 H LEU 6 H LEU 6 21.608 -6.324 -1.502 39 HA LEU 6 HA LEU 6 23.726 -7.667 -2.928 40 1HB LEU 6 HB2 LEU 6 21.441 -7.753 -4.358 41 2HB LEU 6 HB3 LEU 6 21.927 -6.118 -4.792 42 HG LEU 6 HG LEU 6 23.604 -8.638 -5.174 43 1HD1 LEU 6 1HD1 LEU 6 23.062 -8.390 -7.556 44 2HD1 LEU 6 2HD1 LEU 6 21.587 -8.574 -6.598 45 3HD1 LEU 6 3HD1 LEU 6 22.061 -6.965 -7.197 46 1HD2 LEU 6 1HD2 LEU 6 25.110 -6.761 -5.027 47 2HD2 LEU 6 2HD2 LEU 6 24.955 -7.191 -6.726 48 3HD2 LEU 6 3HD2 LEU 6 24.080 -5.775 -6.101 49 H GLU 7 H GLU 7 21.712 -4.768 -2.564 50 HA GLU 7 HA GLU 7 24.088 -3.178 -1.688 51 1HB GLU 7 HB2 GLU 7 21.839 -2.086 -3.419 52 2HB GLU 7 HB3 GLU 7 23.081 -1.132 -2.613 53 1HG GLU 7 HG2 GLU 7 24.825 -2.424 -3.920 54 2HG GLU 7 HG3 GLU 7 23.505 -3.132 -4.862 55 H PHE 8 H PHE 8 23.619 -1.569 -0.111 56 HA PHE 8 HA PHE 8 21.846 -2.414 1.906 57 1HB PHE 8 HB2 PHE 8 23.139 0.310 1.527 58 2HB PHE 8 HB3 PHE 8 22.407 -0.265 3.014 59 HD1 PHE 8 HD1 PHE 8 23.344 -2.429 4.100 60 HD2 PHE 8 HD2 PHE 8 25.457 -0.109 1.139 61 HE1 PHE 8 HE1 PHE 8 25.489 -3.442 4.834 62 HE2 PHE 8 HE2 PHE 8 27.602 -1.124 1.876 63 HZ PHE 8 HZ PHE 8 27.625 -2.796 3.721 64 H LYS 9 H LYS 9 21.171 -0.266 -0.744 65 HA LYS 9 HA LYS 9 19.052 1.317 0.324 66 1HB LYS 9 HB2 LYS 9 19.711 0.496 -2.527 67 2HB LYS 9 HB3 LYS 9 18.606 1.798 -2.089 68 1HG LYS 9 HG2 LYS 9 20.367 3.113 -1.103 69 2HG LYS 9 HG3 LYS 9 21.546 1.819 -1.258 70 1HD LYS 9 HD2 LYS 9 20.178 3.178 -3.630 71 2HD LYS 9 HD3 LYS 9 21.771 3.615 -2.981 72 1HE LYS 9 HE2 LYS 9 22.590 1.305 -3.434 73 2HE LYS 9 HE3 LYS 9 21.014 0.903 -4.144 74 1HZ LYS 9 HZ1 LYS 9 22.612 1.464 -5.810 75 2HZ LYS 9 HZ2 LYS 9 21.416 2.587 -5.817 76 3HZ LYS 9 HZ3 LYS 9 22.886 2.943 -5.164 77 H GLN 10 H GLN 10 18.964 -1.926 -0.940 78 HA GLN 10 HA GLN 10 16.379 -1.791 -2.199 79 1HB GLN 10 HB2 GLN 10 17.869 -4.331 -1.497 80 2HB GLN 10 HB3 GLN 10 16.694 -4.112 -2.807 81 1HG GLN 10 HG2 GLN 10 18.270 -2.516 -3.921 82 2HG GLN 10 HG3 GLN 10 19.409 -2.837 -2.601 83 1HE2 GLN 10 2HE2 GLN 10 18.495 -3.867 -5.690 84 2HE2 GLN 10 1HE2 GLN 10 19.497 -5.328 -5.640 85 H PHE 11 H PHE 11 17.301 -2.457 1.019 86 HA PHE 11 HA PHE 11 15.260 -4.155 1.727 87 1HB PHE 11 HB2 PHE 11 15.461 -3.472 3.992 88 2HB PHE 11 HB3 PHE 11 17.070 -3.481 3.280 89 HD1 PHE 11 HD1 PHE 11 17.218 -0.741 2.027 90 HD2 PHE 11 HD2 PHE 11 15.626 -2.013 5.826 91 HE1 PHE 11 HE1 PHE 11 17.692 1.456 2.916 92 HE2 PHE 11 HE2 PHE 11 16.153 0.224 6.756 93 HZ PHE 11 HZ PHE 11 17.194 1.968 5.327 94 H LEU 12 H LEU 12 15.164 -0.764 0.976 95 HA LEU 12 HA LEU 12 12.530 -0.301 2.041 96 1HB LEU 12 HB2 LEU 12 14.755 1.328 1.225 97 2HB LEU 12 HB3 LEU 12 13.362 1.791 0.263 98 HG LEU 12 HG LEU 12 12.087 1.569 2.678 99 1HD1 LEU 12 1HD1 LEU 12 14.235 0.763 3.710 100 2HD1 LEU 12 2HD1 LEU 12 14.921 2.365 3.403 101 3HD1 LEU 12 3HD1 LEU 12 13.530 2.211 4.497 102 1HD2 LEU 12 1HD2 LEU 12 12.352 3.949 2.857 103 2HD2 LEU 12 2HD2 LEU 12 13.685 3.882 1.652 104 3HD2 LEU 12 3HD2 LEU 12 12.031 3.370 1.204 105 H TYR 13 H TYR 13 13.892 -1.165 -0.917 106 HA TYR 13 HA TYR 13 11.554 -0.573 -2.585 107 1HB TYR 13 HB2 TYR 13 14.244 -1.870 -3.168 108 2HB TYR 13 HB3 TYR 13 13.123 -1.285 -4.368 109 HD1 TYR 13 HD1 TYR 13 12.450 1.318 -2.503 110 HD2 TYR 13 HD2 TYR 13 16.022 -0.413 -4.172 111 HE1 TYR 13 HE1 TYR 13 13.596 3.456 -2.191 112 HE2 TYR 13 HE2 TYR 13 17.137 1.787 -4.009 113 HH TYR 13 HH TYR 13 16.976 3.953 -3.312 114 H GLU 14 H GLU 14 12.916 -3.456 -1.087 115 HA GLU 14 HA GLU 14 10.799 -5.266 -2.060 116 1HB GLU 14 HB2 GLU 14 13.050 -6.015 -1.266 117 2HB GLU 14 HB3 GLU 14 12.604 -5.502 0.366 118 1HG GLU 14 HG2 GLU 14 10.790 -7.161 0.434 119 2HG GLU 14 HG3 GLU 14 11.059 -7.556 -1.276 120 H ALA 15 H ALA 15 11.104 -2.910 0.480 121 HA ALA 15 HA ALA 15 9.311 -3.779 2.469 122 1HB ALA 15 HB1 ALA 15 10.846 -1.696 2.537 123 2HB ALA 15 HB2 ALA 15 9.646 -0.904 1.463 124 3HB ALA 15 HB3 ALA 15 9.165 -1.422 3.077 125 H SER 16 H SER 16 8.804 -1.874 -0.382 126 HA SER 16 HA SER 16 6.683 -0.397 0.331 127 1HB SER 16 HB2 SER 16 7.818 -1.428 -2.254 128 2HB SER 16 HB3 SER 16 6.443 -0.296 -2.302 129 HG SER 16 HG SER 16 8.090 1.054 -2.338 130 H ILE 17 H ILE 17 6.566 -3.560 -1.006 131 HA ILE 17 HA ILE 17 3.646 -3.553 -1.613 132 HB ILE 17 HB ILE 17 6.207 -3.781 -3.124 133 1HG1 ILE 17 2HG1 ILE 17 5.287 -2.593 -4.768 134 2HG1 ILE 17 3HG1 ILE 17 3.743 -3.334 -4.700 135 1HG2 ILE 17 1HG2 ILE 17 4.046 -5.675 -4.045 136 2HG2 ILE 17 2HG2 ILE 17 5.512 -5.214 -4.934 137 3HG2 ILE 17 3HG2 ILE 17 5.652 -6.105 -3.417 138 1HD1 ILE 17 1HD1 ILE 17 3.502 -1.001 -4.212 139 2HD1 ILE 17 2HD1 ILE 17 3.137 -1.830 -2.720 140 3HD1 ILE 17 3HD1 ILE 17 4.699 -1.047 -2.964 141 H ASP 18 H ASP 18 5.591 -4.868 0.500 142 HA ASP 18 HA ASP 18 5.454 -7.731 0.085 143 1HB ASP 18 HB2 ASP 18 7.265 -6.618 1.344 144 2HB ASP 18 HB3 ASP 18 6.107 -6.112 2.574 145 H GLU 19 H GLU 19 3.522 -5.475 1.944 146 HA GLU 19 HA GLU 19 1.368 -7.537 2.244 147 1HB GLU 19 HB2 GLU 19 0.812 -6.854 4.489 148 2HB GLU 19 HB3 GLU 19 2.449 -7.509 4.390 149 1HG GLU 19 HG2 GLU 19 3.399 -5.241 4.488 150 2HG GLU 19 HG3 GLU 19 1.766 -4.534 4.529 151 H PHE 20 H PHE 20 2.068 -4.100 2.059 152 HA PHE 20 HA PHE 20 -0.432 -2.925 2.339 153 1HB PHE 20 HB2 PHE 20 2.153 -2.185 1.803 154 2HB PHE 20 HB3 PHE 20 1.536 -2.017 0.179 155 HD1 PHE 20 HD1 PHE 20 -1.224 -0.790 0.744 156 HD2 PHE 20 HD2 PHE 20 2.724 -0.046 2.331 157 HE1 PHE 20 HE1 PHE 20 -1.779 1.594 1.022 158 HE2 PHE 20 HE2 PHE 20 2.147 2.343 2.627 159 HZ PHE 20 HZ PHE 20 -0.080 3.166 1.938 160 H MET 21 H MET 21 1.016 -4.004 -0.718 161 HA MET 21 HA MET 21 -1.071 -3.459 -2.548 162 1HB MET 21 HB2 MET 21 1.201 -5.463 -2.333 163 2HB MET 21 HB3 MET 21 0.028 -5.723 -3.616 164 1HG MET 21 HG2 MET 21 1.447 -3.055 -3.191 165 2HG MET 21 HG3 MET 21 2.112 -4.413 -4.130 166 1HE MET 21 HE1 MET 21 0.088 -5.636 -5.971 167 2HE MET 21 HE2 MET 21 -1.405 -4.957 -5.267 168 3HE MET 21 HE3 MET 21 -0.940 -4.544 -6.919 169 H GLY 22 H GLY 22 -0.617 -6.156 -0.346 170 1HA GLY 22 HA2 GLY 22 -2.989 -7.627 -1.279 171 2HA GLY 22 HA3 GLY 22 -2.006 -8.014 0.170 172 H LYS 23 H LYS 23 -2.303 -5.014 1.022 173 HA LYS 23 HA LYS 23 -4.581 -5.585 2.665 174 1HB LYS 23 HB2 LYS 23 -3.467 -4.425 4.199 175 2HB LYS 23 HB3 LYS 23 -2.113 -4.491 3.123 176 1HG LYS 23 HG2 LYS 23 -2.698 -2.398 2.131 177 2HG LYS 23 HG3 LYS 23 -4.105 -2.312 3.075 178 1HD LYS 23 HD2 LYS 23 -1.375 -2.571 4.323 179 2HD LYS 23 HD3 LYS 23 -2.117 -0.965 3.957 180 1HE LYS 23 HE2 LYS 23 -3.941 -1.426 5.497 181 2HE LYS 23 HE3 LYS 23 -3.434 -3.117 5.579 182 1HZ LYS 23 HZ1 LYS 23 -1.900 -0.835 6.673 183 2HZ LYS 23 HZ2 LYS 23 -2.789 -1.902 7.556 184 3HZ LYS 23 HZ3 LYS 23 -1.453 -2.412 6.758 185 H ILE 24 H ILE 24 -3.672 -3.472 0.059 186 HA ILE 24 HA ILE 24 -6.381 -2.382 -0.145 187 HB ILE 24 HB ILE 24 -5.286 -1.802 -2.480 188 1HG1 ILE 24 2HG1 ILE 24 -2.718 -1.764 -1.125 189 2HG1 ILE 24 3HG1 ILE 24 -3.270 -3.052 -2.243 190 1HG2 ILE 24 1HG2 ILE 24 -4.774 0.258 -1.463 191 2HG2 ILE 24 2HG2 ILE 24 -5.877 -0.362 -0.262 192 3HG2 ILE 24 3HG2 ILE 24 -4.133 -0.466 0.020 193 1HD1 ILE 24 1HD1 ILE 24 -3.721 -1.631 -3.927 194 2HD1 ILE 24 2HD1 ILE 24 -2.924 -0.335 -2.944 195 3HD1 ILE 24 3HD1 ILE 24 -2.005 -1.767 -3.442 196 H ALA 25 H ALA 25 -4.562 -4.759 -2.181 197 HA ALA 25 HA ALA 25 -6.806 -5.004 -3.955 198 1HB ALA 25 HB1 ALA 25 -4.449 -5.373 -4.652 199 2HB ALA 25 HB2 ALA 25 -4.445 -6.889 -3.718 200 3HB ALA 25 HB3 ALA 25 -5.532 -6.696 -5.104 201 H SER 26 H SER 26 -5.941 -6.621 -1.054 202 HA SER 26 HA SER 26 -8.248 -8.378 -1.282 203 1HB SER 26 HB2 SER 26 -6.199 -9.673 -1.103 204 2HB SER 26 HB3 SER 26 -5.813 -8.901 0.445 205 HG SER 26 HG SER 26 -7.984 -9.580 1.070 206 H CYS 27 H CYS 27 -8.013 -5.457 -0.256 207 HA CYS 27 HA CYS 27 -8.556 -5.350 2.459 208 1HB CYS 27 HB2 CYS 27 -8.216 -3.382 0.973 209 2HB CYS 27 HB3 CYS 27 -9.660 -3.780 0.135 210 HG CYS 27 HG CYS 27 -10.681 -2.049 1.461 211 H GLN 28 H GLN 28 -10.746 -6.220 -0.160 212 HA GLN 28 HA GLN 28 -12.693 -7.368 -0.306 213 1HB GLN 28 HB2 GLN 28 -12.847 -7.465 2.723 214 2HB GLN 28 HB3 GLN 28 -13.860 -8.363 1.622 215 1HG GLN 28 HG2 GLN 28 -12.313 -9.970 1.310 216 2HG GLN 28 HG3 GLN 28 -10.975 -8.816 1.238 217 1HE2 GLN 28 1HE2 GLN 28 -9.756 -8.431 3.046 218 2HE2 GLN 28 2HE2 GLN 28 -10.151 -9.067 4.651 219 H THR 29 H THR 29 -12.404 -4.289 0.905 220 HA THR 29 HA THR 29 -15.252 -3.630 0.541 221 HB THR 29 HB THR 29 -15.057 -2.154 2.559 222 HG1 THR 29 HG1 THR 29 -12.865 -3.859 3.126 223 1HG2 THR 29 1HG2 THR 29 -15.692 -3.850 4.225 224 2HG2 THR 29 2HG2 THR 29 -16.399 -4.269 2.658 225 3HG2 THR 29 3HG2 THR 29 -14.953 -5.131 3.233 226 H LEU 30 H LEU 30 -15.455 -1.547 -0.294 227 HA LEU 30 HA LEU 30 -12.953 -0.404 -1.342 228 1HB LEU 30 HB2 LEU 30 -15.335 -0.242 -2.485 229 2HB LEU 30 HB3 LEU 30 -15.619 0.974 -1.269 230 HG LEU 30 HG LEU 30 -12.956 1.549 -2.131 231 1HD1 LEU 30 1HD1 LEU 30 -13.358 1.888 -4.557 232 2HD1 LEU 30 2HD1 LEU 30 -12.724 0.403 -3.875 233 3HD1 LEU 30 3HD1 LEU 30 -14.422 0.526 -4.363 234 1HD2 LEU 30 1HD2 LEU 30 -14.608 3.015 -1.494 235 2HD2 LEU 30 2HD2 LEU 30 -13.792 3.443 -3.092 236 3HD2 LEU 30 3HD2 LEU 30 -15.456 2.698 -3.086 237 H GLU 31 H GLU 31 -15.341 0.125 1.088 238 HA GLU 31 HA GLU 31 -14.667 2.600 1.979 239 1HB GLU 31 HB2 GLU 31 -16.578 0.799 2.361 240 2HB GLU 31 HB3 GLU 31 -15.577 0.211 3.694 241 1HG GLU 31 HG2 GLU 31 -15.517 2.353 4.575 242 2HG GLU 31 HG3 GLU 31 -16.659 3.048 3.387 243 H GLY 32 H GLY 32 -13.319 -0.513 2.718 244 1HA GLY 32 HA2 GLY 32 -11.323 0.529 4.537 245 2HA GLY 32 HA3 GLY 32 -11.362 -1.121 3.900 246 H LEU 33 H LEU 33 -11.290 -0.276 1.129 247 HA LEU 33 HA LEU 33 -8.519 0.083 0.609 248 1HB LEU 33 HB2 LEU 33 -10.284 -0.884 -0.817 249 2HB LEU 33 HB3 LEU 33 -11.067 0.595 -1.013 250 HG LEU 33 HG LEU 33 -9.428 1.613 -2.360 251 1HD1 LEU 33 1HD1 LEU 33 -7.576 -0.666 -1.729 252 2HD1 LEU 33 2HD1 LEU 33 -7.373 0.535 -3.039 253 3HD1 LEU 33 3HD1 LEU 33 -7.364 1.088 -1.362 254 1HD2 LEU 33 1HD2 LEU 33 -9.261 0.094 -4.188 255 2HD2 LEU 33 2HD2 LEU 33 -9.387 -1.296 -3.093 256 3HD2 LEU 33 3HD2 LEU 33 -10.804 -0.245 -3.363 257 H GLU 34 H GLU 34 -11.145 2.278 0.551 258 HA GLU 34 HA GLU 34 -9.966 4.803 0.095 259 1HB GLU 34 HB2 GLU 34 -12.406 3.706 1.368 260 2HB GLU 34 HB3 GLU 34 -12.139 5.467 1.435 261 1HG GLU 34 HG2 GLU 34 -12.232 3.759 -1.136 262 2HG GLU 34 HG3 GLU 34 -13.548 4.685 -0.391 263 H GLU 35 H GLU 35 -10.361 2.937 3.040 264 HA GLU 35 HA GLU 35 -9.523 5.061 4.948 265 1HB GLU 35 HB2 GLU 35 -9.835 2.058 5.341 266 2HB GLU 35 HB3 GLU 35 -9.199 3.119 6.570 267 1HG GLU 35 HG2 GLU 35 -11.792 3.894 5.341 268 2HG GLU 35 HG3 GLU 35 -11.777 2.458 6.397 269 H LEU 36 H LEU 36 -8.109 2.052 3.640 270 HA LEU 36 HA LEU 36 -5.518 2.489 4.319 271 1HB LEU 36 HB2 LEU 36 -6.569 1.017 1.907 272 2HB LEU 36 HB3 LEU 36 -4.898 1.028 2.382 273 HG LEU 36 HG LEU 36 -5.034 -0.240 4.088 274 1HD1 LEU 36 1HD1 LEU 36 -7.849 0.275 4.952 275 2HD1 LEU 36 2HD1 LEU 36 -6.672 -0.809 5.693 276 3HD1 LEU 36 3HD1 LEU 36 -6.383 0.941 5.699 277 1HD2 LEU 36 1HD2 LEU 36 -6.512 -2.118 3.680 278 2HD2 LEU 36 2HD2 LEU 36 -7.623 -1.046 2.772 279 3HD2 LEU 36 3HD2 LEU 36 -5.992 -1.391 2.145 280 H GLU 37 H GLU 37 -7.264 3.761 1.386 281 HA GLU 37 HA GLU 37 -5.199 4.880 0.179 282 1HB GLU 37 HB2 GLU 37 -7.531 4.771 -0.532 283 2HB GLU 37 HB3 GLU 37 -7.973 6.188 0.361 284 1HG GLU 37 HG2 GLU 37 -5.632 6.264 -1.471 285 2HG GLU 37 HG3 GLU 37 -7.210 6.072 -2.263 286 H ALA 38 H ALA 38 -7.321 6.258 2.639 287 HA ALA 38 HA ALA 38 -5.875 8.653 2.904 288 1HB ALA 38 HB1 ALA 38 -7.079 8.853 5.137 289 2HB ALA 38 HB2 ALA 38 -8.169 8.422 3.793 290 3HB ALA 38 HB3 ALA 38 -7.645 7.182 4.948 291 H TYR 39 H TYR 39 -5.581 5.500 4.743 292 HA TYR 39 HA TYR 39 -3.701 6.493 6.587 293 1HB TYR 39 HB2 TYR 39 -4.279 4.471 7.426 294 2HB TYR 39 HB3 TYR 39 -4.822 3.909 5.854 295 HD1 TYR 39 HD2 TYR 39 -3.379 2.704 4.309 296 HD2 TYR 39 HD1 TYR 39 -1.981 3.808 8.227 297 HE1 TYR 39 HE2 TYR 39 -1.443 1.280 3.972 298 HE2 TYR 39 HE1 TYR 39 -0.050 2.262 7.946 299 HH TYR 39 HH TYR 39 1.008 0.765 6.564 300 H TYR 40 H TYR 40 -3.229 5.098 3.390 301 HA TYR 40 HA TYR 40 -0.386 5.006 3.107 302 1HB TYR 40 HB2 TYR 40 -2.023 4.076 1.510 303 2HB TYR 40 HB3 TYR 40 -2.770 5.660 1.363 304 HD1 TYR 40 HD1 TYR 40 0.875 5.883 0.944 305 HD2 TYR 40 HD2 TYR 40 -2.947 5.100 -0.912 306 HE1 TYR 40 HE1 TYR 40 1.801 6.497 -1.259 307 HE2 TYR 40 HE2 TYR 40 -1.961 5.595 -3.122 308 HH TYR 40 HH TYR 40 1.298 6.970 -3.444 309 H LYS 41 H LYS 41 -2.690 7.649 2.110 310 HA LYS 41 HA LYS 41 -0.661 9.484 1.615 311 1HB LYS 41 HB2 LYS 41 -3.457 10.036 2.489 312 2HB LYS 41 HB3 LYS 41 -2.394 11.202 1.697 313 1HG LYS 41 HG2 LYS 41 -2.671 8.576 0.230 314 2HG LYS 41 HG3 LYS 41 -4.126 9.502 0.442 315 1HD LYS 41 HD2 LYS 41 -3.020 9.978 -1.692 316 2HD LYS 41 HD3 LYS 41 -3.050 11.450 -0.669 317 1HE LYS 41 HE2 LYS 41 -0.790 10.478 0.152 318 2HE LYS 41 HE3 LYS 41 -0.788 9.522 -1.328 319 1HZ LYS 41 HZ1 LYS 41 -0.960 11.589 -2.596 320 2HZ LYS 41 HZ2 LYS 41 -0.894 12.486 -1.223 321 3HZ LYS 41 HZ3 LYS 41 0.397 11.599 -1.691 322 H LYS 42 H LYS 42 -2.273 8.840 4.750 323 HA LYS 42 HA LYS 42 -1.284 10.935 6.366 324 1HB LYS 42 HB2 LYS 42 -2.406 8.129 6.619 325 2HB LYS 42 HB3 LYS 42 -2.078 9.021 8.010 326 1HG LYS 42 HG2 LYS 42 -3.903 10.027 5.841 327 2HG LYS 42 HG3 LYS 42 -4.465 9.048 7.220 328 1HD LYS 42 HD2 LYS 42 -3.927 10.859 8.752 329 2HD LYS 42 HD3 LYS 42 -3.106 11.748 7.448 330 1HE LYS 42 HE2 LYS 42 -5.341 11.456 6.128 331 2HE LYS 42 HE3 LYS 42 -6.060 11.026 7.689 332 1HZ LYS 42 HZ1 LYS 42 -6.347 13.362 7.259 333 2HZ LYS 42 HZ2 LYS 42 -5.375 13.166 8.568 334 3HZ LYS 42 HZ3 LYS 42 -4.742 13.605 7.118 335 H ARG 43 H ARG 43 -0.129 7.630 5.680 336 HA ARG 43 HA ARG 43 2.032 7.566 7.547 337 1HB ARG 43 HB2 ARG 43 0.994 5.592 6.729 338 2HB ARG 43 HB3 ARG 43 1.246 6.024 5.044 339 1HG ARG 43 HG2 ARG 43 3.662 5.784 5.310 340 2HG ARG 43 HG3 ARG 43 3.416 5.178 6.974 341 1HD ARG 43 HD2 ARG 43 2.065 3.300 6.081 342 2HD ARG 43 HD3 ARG 43 2.238 3.932 4.451 343 HE ARG 43 HE ARG 43 4.392 3.141 4.292 344 1HH1 ARG 43 1HH1 ARG 43 3.420 2.751 7.659 345 2HH1 ARG 43 2HH1 ARG 43 4.760 1.680 7.988 346 1HH2 ARG 43 1HH2 ARG 43 6.034 1.740 4.817 347 2HH2 ARG 43 2HH2 ARG 43 6.155 1.105 6.443 348 H VAL 44 H VAL 44 2.007 8.275 4.053 349 HA VAL 44 HA VAL 44 4.507 7.960 3.277 350 HB VAL 44 HB VAL 44 2.212 9.810 2.685 351 1HG1 VAL 44 1HG1 VAL 44 3.925 11.248 1.918 352 2HG1 VAL 44 2HG1 VAL 44 4.695 9.897 1.006 353 3HG1 VAL 44 3HG1 VAL 44 3.042 10.483 0.588 354 1HG2 VAL 44 1HG2 VAL 44 1.835 8.344 0.967 355 2HG2 VAL 44 2HG2 VAL 44 3.546 7.885 0.821 356 3HG2 VAL 44 3HG2 VAL 44 2.603 7.272 2.183 357 H LYS 45 H LYS 45 3.349 10.785 4.883 358 HA LYS 45 HA LYS 45 5.803 12.262 4.818 359 1HB LYS 45 HB2 LYS 45 4.477 13.976 5.900 360 2HB LYS 45 HB3 LYS 45 3.535 13.124 4.676 361 1HG LYS 45 HG2 LYS 45 2.780 11.576 6.636 362 2HG LYS 45 HG3 LYS 45 3.478 12.851 7.670 363 1HD LYS 45 HD2 LYS 45 1.160 13.271 7.617 364 2HD LYS 45 HD3 LYS 45 1.832 14.477 6.501 365 1HE LYS 45 HE2 LYS 45 1.209 11.760 5.367 366 2HE LYS 45 HE3 LYS 45 -0.210 12.676 5.940 367 1HZ LYS 45 HZ1 LYS 45 0.240 13.092 3.611 368 2HZ LYS 45 HZ2 LYS 45 0.315 14.471 4.489 369 3HZ LYS 45 HZ3 LYS 45 1.692 13.768 3.950 370 H GLU 46 H GLU 46 4.233 10.216 7.106 371 HA GLU 46 HA GLU 46 5.526 10.894 9.638 372 1HB GLU 46 HB2 GLU 46 3.154 10.109 9.179 373 2HB GLU 46 HB3 GLU 46 3.900 8.511 9.031 374 1HG GLU 46 HG2 GLU 46 3.058 8.897 11.251 375 2HG GLU 46 HG3 GLU 46 4.800 8.694 11.289 376 H THR 47 H THR 47 6.172 8.972 6.941 377 HA THR 47 HA THR 47 8.665 8.025 8.111 378 HB THR 47 HB THR 47 7.235 6.207 8.774 379 HG1 THR 47 HG1 THR 47 9.051 5.316 8.313 380 1HG2 THR 47 1HG2 THR 47 6.340 6.037 5.879 381 2HG2 THR 47 2HG2 THR 47 6.112 4.737 7.088 382 3HG2 THR 47 3HG2 THR 47 5.379 6.330 7.346 383 H GLU 48 H GLU 48 8.808 6.120 5.627 384 HA GLU 48 HA GLU 48 9.738 8.240 3.821 385 1HB GLU 48 HB2 GLU 48 11.230 5.765 4.556 386 2HB GLU 48 HB3 GLU 48 11.813 7.113 3.549 387 1HG GLU 48 HG2 GLU 48 11.407 8.611 5.544 388 2HG GLU 48 HG3 GLU 48 11.105 7.170 6.497 389 H LEU 49 H LEU 49 7.528 7.586 2.991 390 HA LEU 49 HA LEU 49 7.652 5.375 1.111 391 1HB LEU 49 HB2 LEU 49 5.479 6.174 2.024 392 2HB LEU 49 HB3 LEU 49 5.655 7.635 1.041 393 HG LEU 49 HG LEU 49 6.208 5.064 -0.330 394 1HD1 LEU 49 1HD1 LEU 49 4.010 4.356 -0.828 395 2HD1 LEU 49 2HD1 LEU 49 4.483 4.147 0.892 396 3HD1 LEU 49 3HD1 LEU 49 3.355 5.462 0.425 397 1HD2 LEU 49 1HD2 LEU 49 4.091 6.948 -1.339 398 2HD2 LEU 49 2HD2 LEU 49 5.827 7.198 -1.647 399 3HD2 LEU 49 3HD2 LEU 49 5.039 5.693 -2.141 400 H LYS 50 H LYS 50 9.653 5.746 0.289 401 HA LYS 50 HA LYS 50 10.386 7.466 -1.769 402 1HB LYS 50 HB2 LYS 50 11.790 5.839 -2.435 403 2HB LYS 50 HB3 LYS 50 11.502 5.245 -0.856 404 1HG LYS 50 HG2 LYS 50 9.702 4.082 -2.974 405 2HG LYS 50 HG3 LYS 50 11.416 3.794 -3.175 406 1HD LYS 50 HD2 LYS 50 10.293 1.988 -1.948 407 2HD LYS 50 HD3 LYS 50 11.540 2.840 -1.001 408 1HE LYS 50 HE2 LYS 50 9.921 4.158 0.127 409 2HE LYS 50 HE3 LYS 50 8.585 3.535 -0.846 410 1HZ LYS 50 HZ1 LYS 50 8.598 2.432 1.300 411 2HZ LYS 50 HZ2 LYS 50 8.931 1.346 0.099 412 3HZ LYS 50 HZ3 LYS 50 10.139 1.878 1.064 413 H ASP 51 H ASP 51 10.327 6.858 -4.127 414 HA ASP 51 HA ASP 51 7.619 7.419 -5.088 415 1HB ASP 51 HB2 ASP 51 10.127 6.651 -6.607 416 2HB ASP 51 HB3 ASP 51 8.654 7.319 -7.334 417 H THR 52 H THR 52 9.527 4.517 -4.905 418 HA THR 52 HA THR 52 8.363 2.895 -6.977 419 HB THR 52 HB THR 52 9.552 2.317 -4.234 420 HG1 THR 52 HG1 THR 52 11.481 1.913 -5.395 421 1HG2 THR 52 1HG2 THR 52 9.180 0.299 -6.457 422 2HG2 THR 52 2HG2 THR 52 10.270 0.060 -5.057 423 3HG2 THR 52 3HG2 THR 52 8.550 0.262 -4.791 424 H ASP 53 H ASP 53 7.576 3.219 -3.532 425 HA ASP 53 HA ASP 53 5.609 1.083 -3.440 426 1HB ASP 53 HB2 ASP 53 6.895 2.428 -1.529 427 2HB ASP 53 HB3 ASP 53 5.750 3.611 -1.803 428 H ASP 54 H ASP 54 5.589 4.547 -3.915 429 HA ASP 54 HA ASP 54 2.849 5.060 -3.569 430 1HB ASP 54 HB2 ASP 54 5.021 6.649 -3.995 431 2HB ASP 54 HB3 ASP 54 4.657 6.473 -5.645 432 H ILE 55 H ILE 55 4.583 4.313 -6.439 433 HA ILE 55 HA ILE 55 2.239 4.495 -8.266 434 HB ILE 55 HB ILE 55 4.318 2.797 -9.408 435 1HG1 ILE 55 2HG1 ILE 55 5.696 5.164 -8.217 436 2HG1 ILE 55 3HG1 ILE 55 5.682 3.535 -7.539 437 1HG2 ILE 55 1HG2 ILE 55 3.536 5.680 -9.921 438 2HG2 ILE 55 2HG2 ILE 55 4.376 4.580 -11.058 439 3HG2 ILE 55 3HG2 ILE 55 2.712 4.221 -10.522 440 1HD1 ILE 55 1HD1 ILE 55 6.630 2.434 -9.161 441 2HD1 ILE 55 2HD1 ILE 55 6.616 3.828 -10.320 442 3HD1 ILE 55 3HD1 ILE 55 7.645 3.869 -8.853 443 H SER 56 H SER 56 4.209 1.808 -6.912 444 HA SER 56 HA SER 56 2.863 -0.115 -8.525 445 1HB SER 56 HB2 SER 56 4.858 -0.064 -6.372 446 2HB SER 56 HB3 SER 56 3.795 -1.504 -6.302 447 HG SER 56 HG SER 56 5.695 -1.729 -7.658 448 H VAL 57 H VAL 57 2.414 0.999 -5.313 449 HA VAL 57 HA VAL 57 0.119 -0.634 -4.629 450 HB VAL 57 HB VAL 57 2.047 0.450 -3.147 451 1HG1 VAL 57 1HG1 VAL 57 -0.162 2.372 -2.662 452 2HG1 VAL 57 2HG1 VAL 57 1.436 2.178 -1.851 453 3HG1 VAL 57 3HG1 VAL 57 1.416 2.699 -3.529 454 1HG2 VAL 57 1HG2 VAL 57 -0.817 0.175 -2.158 455 2HG2 VAL 57 2HG2 VAL 57 0.282 -1.200 -2.446 456 3HG2 VAL 57 3HG2 VAL 57 0.692 0.015 -1.221 457 H ARG 58 H ARG 58 0.575 2.972 -5.266 458 HA ARG 58 HA ARG 58 -2.167 3.492 -5.190 459 1HB ARG 58 HB2 ARG 58 -0.571 5.207 -5.732 460 2HB ARG 58 HB3 ARG 58 -0.406 4.655 -7.375 461 1HG ARG 58 HG2 ARG 58 -1.825 6.559 -7.296 462 2HG ARG 58 HG3 ARG 58 -2.878 5.223 -7.700 463 1HD ARG 58 HD2 ARG 58 -3.614 5.164 -5.295 464 2HD ARG 58 HD3 ARG 58 -2.509 6.534 -4.974 465 HE ARG 58 HE ARG 58 -4.357 7.124 -7.122 466 1HH1 ARG 58 1HH2 ARG 58 -4.130 7.097 -3.601 467 2HH1 ARG 58 2HH2 ARG 58 -5.463 8.224 -3.451 468 1HH2 ARG 58 1HH1 ARG 58 -5.888 8.696 -6.802 469 2HH2 ARG 58 2HH1 ARG 58 -6.241 9.250 -5.180 470 H ASP 59 H ASP 59 -0.419 2.158 -7.968 471 HA ASP 59 HA ASP 59 -2.614 2.634 -9.726 472 1HB ASP 59 HB2 ASP 59 -0.259 2.321 -10.456 473 2HB ASP 59 HB3 ASP 59 -0.347 0.614 -10.010 474 H ALA 60 H ALA 60 -1.925 0.326 -7.530 475 HA ALA 60 HA ALA 60 -3.642 -1.937 -8.256 476 1HB ALA 60 HB1 ALA 60 -1.745 -1.463 -5.914 477 2HB ALA 60 HB2 ALA 60 -2.689 -2.942 -6.203 478 3HB ALA 60 HB3 ALA 60 -1.436 -2.419 -7.366 479 H LEU 61 H LEU 61 -3.317 0.532 -5.718 480 HA LEU 61 HA LEU 61 -5.588 0.030 -4.219 481 1HB LEU 61 HB2 LEU 61 -3.452 1.354 -3.861 482 2HB LEU 61 HB3 LEU 61 -4.056 2.599 -4.880 483 HG LEU 61 HG LEU 61 -5.676 1.729 -2.627 484 1HD1 LEU 61 1HD1 LEU 61 -4.304 2.987 -0.995 485 2HD1 LEU 61 2HD1 LEU 61 -3.366 1.678 -1.781 486 3HD1 LEU 61 3HD1 LEU 61 -3.148 3.331 -2.336 487 1HD2 LEU 61 1HD2 LEU 61 -5.035 4.541 -3.510 488 2HD2 LEU 61 2HD2 LEU 61 -6.463 3.611 -4.052 489 3HD2 LEU 61 3HD2 LEU 61 -6.263 4.006 -2.343 490 H ALA 62 H ALA 62 -4.976 2.600 -6.649 491 HA ALA 62 HA ALA 62 -7.719 3.025 -7.226 492 1HB ALA 62 HB1 ALA 62 -5.312 3.465 -9.052 493 2HB ALA 62 HB2 ALA 62 -6.918 4.197 -9.268 494 3HB ALA 62 HB3 ALA 62 -5.935 4.643 -7.860 495 H GLY 63 H GLY 63 -5.699 0.490 -8.008 496 1HA GLY 63 HA2 GLY 63 -6.579 -0.566 -10.495 497 2HA GLY 63 HA3 GLY 63 -5.763 -1.401 -9.217 498 H LYS 64 H LYS 64 -7.121 -1.236 -7.074 499 HA LYS 64 HA LYS 64 -9.400 -2.982 -7.420 500 1HB LYS 64 HB2 LYS 64 -7.480 -3.299 -5.741 501 2HB LYS 64 HB3 LYS 64 -8.328 -2.089 -4.797 502 1HG LYS 64 HG2 LYS 64 -9.389 -4.051 -4.025 503 2HG LYS 64 HG3 LYS 64 -10.438 -3.605 -5.338 504 1HD LYS 64 HD2 LYS 64 -9.283 -5.184 -6.856 505 2HD LYS 64 HD3 LYS 64 -8.210 -5.653 -5.543 506 1HE LYS 64 HE2 LYS 64 -10.243 -6.312 -4.201 507 2HE LYS 64 HE3 LYS 64 -11.232 -5.997 -5.637 508 1HZ LYS 64 HZ1 LYS 64 -9.065 -7.992 -5.416 509 2HZ LYS 64 HZ2 LYS 64 -10.666 -8.327 -5.468 510 3HZ LYS 64 HZ3 LYS 64 -9.915 -7.707 -6.790 511 H ARG 65 H ARG 65 -9.020 0.420 -6.642 512 HA ARG 65 HA ARG 65 -11.304 0.789 -5.243 513 1HB ARG 65 HB2 ARG 65 -9.380 2.344 -6.026 514 2HB ARG 65 HB3 ARG 65 -10.478 2.843 -7.258 515 1HG ARG 65 HG2 ARG 65 -11.736 4.146 -5.730 516 2HG ARG 65 HG3 ARG 65 -11.669 2.902 -4.548 517 1HD ARG 65 HD2 ARG 65 -9.410 3.426 -3.880 518 2HD ARG 65 HD3 ARG 65 -9.119 4.325 -5.353 519 HE ARG 65 HE ARG 65 -11.106 5.397 -3.399 520 1HH1 ARG 65 1HH1 ARG 65 -8.160 6.017 -5.244 521 2HH1 ARG 65 2HH1 ARG 65 -7.949 7.568 -4.475 522 1HH2 ARG 65 1HH2 ARG 65 -10.655 7.295 -2.413 523 2HH2 ARG 65 2HH2 ARG 65 -9.316 8.279 -2.975 524 H ALA 66 H ALA 66 -10.943 0.779 -8.740 525 HA ALA 66 HA ALA 66 -13.717 1.388 -9.401 526 1HB ALA 66 HB1 ALA 66 -13.253 0.389 -11.552 527 2HB ALA 66 HB2 ALA 66 -11.948 1.528 -11.091 528 3HB ALA 66 HB3 ALA 66 -11.689 -0.239 -10.969 529 H GLU 67 H GLU 67 -12.078 -1.595 -8.393 530 HA GLU 67 HA GLU 67 -13.971 -3.544 -9.473 531 1HB GLU 67 HB2 GLU 67 -11.982 -3.806 -7.248 532 2HB GLU 67 HB3 GLU 67 -12.718 -5.097 -8.201 533 1HG GLU 67 HG2 GLU 67 -10.795 -2.942 -9.252 534 2HG GLU 67 HG3 GLU 67 -10.432 -4.533 -8.662 535 H LEU 68 H LEU 68 -13.217 -1.783 -6.616 536 HA LEU 68 HA LEU 68 -14.856 -3.358 -4.815 537 1HB LEU 68 HB2 LEU 68 -12.710 -1.475 -4.613 538 2HB LEU 68 HB3 LEU 68 -13.899 -1.480 -3.277 539 HG LEU 68 HG LEU 68 -12.475 -3.909 -4.444 540 1HD1 LEU 68 1HD1 LEU 68 -11.284 -3.739 -2.260 541 2HD1 LEU 68 2HD1 LEU 68 -11.104 -2.418 -3.445 542 3HD1 LEU 68 3HD1 LEU 68 -12.163 -2.191 -2.004 543 1HD2 LEU 68 1HD2 LEU 68 -14.151 -3.293 -1.927 544 2HD2 LEU 68 2HD2 LEU 68 -14.619 -4.540 -3.118 545 3HD2 LEU 68 3HD2 LEU 68 -13.230 -4.802 -2.048 546 H GLU 69 H GLU 69 -14.935 -0.329 -6.459 547 HA GLU 69 HA GLU 69 -17.337 0.819 -5.465 548 1HB GLU 69 HB2 GLU 69 -15.270 1.091 -7.659 549 2HB GLU 69 HB3 GLU 69 -16.707 1.651 -7.963 550 1HG GLU 69 HG2 GLU 69 -16.524 3.009 -5.638 551 2HG GLU 69 HG3 GLU 69 -14.850 2.584 -5.814 552 H ASP 70 H ASP 70 -16.419 -1.368 -8.000 553 HA ASP 70 HA ASP 70 -19.172 -1.861 -9.019 554 1HB ASP 70 HB2 ASP 70 -16.453 -3.047 -9.583 555 2HB ASP 70 HB3 ASP 70 -17.885 -3.967 -9.988 556 H SER 71 H SER 71 -17.260 -2.674 -6.364 557 HA SER 71 HA SER 71 -19.218 -4.806 -5.526 558 1HB SER 71 HB2 SER 71 -16.684 -5.249 -5.640 559 2HB SER 71 HB3 SER 71 -16.570 -4.292 -4.143 560 HG SER 71 HG SER 71 -16.816 -6.578 -3.816 561 H ASP 72 H ASP 72 -19.627 -1.827 -5.381 562 HA ASP 72 HA ASP 72 -19.263 -0.763 -2.852 563 1HB ASP 72 HB2 ASP 72 -19.732 0.570 -4.790 564 2HB ASP 72 HB3 ASP 72 -21.356 -0.109 -4.935 565 H ASP 73 H ASP 73 -21.561 -3.113 -3.728 566 HA ASP 73 HA ASP 73 -23.203 -2.865 -1.236 567 1HB ASP 73 HB2 ASP 73 -24.424 -2.122 -3.251 568 2HB ASP 73 HB3 ASP 73 -24.091 -3.701 -3.966 569 H GLU 74 H GLU 74 -23.311 -4.690 -0.042 570 HA GLU 74 HA GLU 74 -21.719 -7.065 -0.999 571 1HB GLU 74 HB2 GLU 74 -21.040 -5.170 1.088 572 2HB GLU 74 HB3 GLU 74 -20.740 -6.880 1.411 573 1HG GLU 74 HG2 GLU 74 -19.984 -5.558 -1.236 574 2HG GLU 74 HG3 GLU 74 -18.958 -5.602 0.152 575 H VAL 75 H VAL 75 -22.418 -8.983 -0.450 576 HA VAL 75 HA VAL 75 -23.753 -10.678 0.122 577 HB VAL 75 HB VAL 75 -23.803 -9.241 2.778 578 1HG1 VAL 75 1HG1 VAL 75 -25.166 -11.886 2.181 579 2HG1 VAL 75 2HG1 VAL 75 -24.838 -11.222 3.805 580 3HG1 VAL 75 3HG1 VAL 75 -25.960 -10.382 2.732 581 1HG2 VAL 75 1HG2 VAL 75 -22.595 -11.885 1.854 582 2HG2 VAL 75 2HG2 VAL 75 -21.713 -10.366 2.108 583 3HG2 VAL 75 3HG2 VAL 75 -22.464 -11.189 3.483 584 H GLU 76 H GLU 76 -25.264 -7.878 1.362 585 HA GLU 76 HA GLU 76 -27.858 -8.351 0.038 586 1HB GLU 76 HB2 GLU 76 -29.089 -8.201 2.058 587 2HB GLU 76 HB3 GLU 76 -27.924 -9.478 2.240 588 1HG GLU 76 HG2 GLU 76 -26.476 -7.921 3.574 589 2HG GLU 76 HG3 GLU 76 -27.710 -6.657 3.410 590 H GLU 77 H GLU 77 -25.813 -6.237 1.954 591 HA GLU 77 HA GLU 77 -26.568 -3.817 0.581 592 1HB GLU 77 HB2 GLU 77 -27.124 -4.066 3.557 593 2HB GLU 77 HB3 GLU 77 -26.908 -2.524 2.716 594 1HG GLU 77 HG2 GLU 77 -28.824 -3.062 1.233 595 2HG GLU 77 HG3 GLU 77 -29.045 -4.571 2.136 596 H SER 78 H SER 78 -25.117 -5.022 3.569 597 HA SER 78 HA SER 78 -22.375 -4.489 2.738 598 1HB SER 78 HB2 SER 78 -21.839 -3.182 4.800 599 2HB SER 78 HB3 SER 78 -22.912 -2.324 3.676 600 HG SER 78 HG SER 78 -24.676 -3.158 4.998 601 H PHE 79 H PHE 79 -20.819 -5.452 4.316 602 HA PHE 79 HA PHE 79 -21.857 -7.263 6.370 603 1HB PHE 79 HB2 PHE 79 -22.069 -8.535 4.227 604 2HB PHE 79 HB3 PHE 79 -20.348 -8.361 3.965 605 HD1 PHE 79 HD1 PHE 79 -22.961 -9.845 6.179 606 HD2 PHE 79 HD2 PHE 79 -18.778 -9.824 5.129 607 HE1 PHE 79 HE1 PHE 79 -22.611 -11.922 7.493 608 HE2 PHE 79 HE2 PHE 79 -18.435 -11.903 6.440 609 HZ PHE 79 HZ PHE 79 -20.347 -12.953 7.628 Start of MODEL 20 1 1H GLY 1 H1 GLY 1 24.748 -9.675 8.726 2 2H GLY 1 H2 GLY 1 23.834 -11.013 8.483 3 3H GLY 1 H3 GLY 1 23.118 -9.556 8.671 4 1HA GLY 1 HA2 GLY 1 24.836 -10.348 6.398 5 2HA GLY 1 HA3 GLY 1 23.070 -10.203 6.346 6 H SER 2 H SER 2 25.789 -8.702 5.446 7 HA SER 2 HA SER 2 24.688 -5.920 5.656 8 1HB SER 2 HB2 SER 2 27.573 -6.790 6.060 9 2HB SER 2 HB3 SER 2 26.948 -5.135 6.164 10 HG SER 2 HG SER 2 27.170 -6.085 8.224 11 H HIS 3 H HIS 3 25.086 -8.085 3.378 12 HA HIS 3 HA HIS 3 26.718 -6.518 1.462 13 1HB HIS 3 HB2 HIS 3 27.104 -8.937 1.836 14 2HB HIS 3 HB3 HIS 3 25.486 -9.282 1.228 15 HD2 HIS 3 HD2 HIS 3 28.560 -7.248 -0.138 16 HE1 HIS 3 HE1 HIS 3 27.079 -9.670 -3.314 17 HE2 HIS 3 HE2 HIS 3 28.847 -7.965 -2.659 18 H MET 4 H MET 4 23.388 -6.936 2.179 19 HA MET 4 HA MET 4 21.399 -6.576 1.175 20 1HB MET 4 HB2 MET 4 23.017 -4.431 -0.241 21 2HB MET 4 HB3 MET 4 21.295 -4.610 -0.460 22 1HG MET 4 HG2 MET 4 21.605 -2.948 1.171 23 2HG MET 4 HG3 MET 4 20.881 -4.346 1.931 24 1HE MET 4 HE1 MET 4 25.248 -2.912 2.599 25 2HE MET 4 HE2 MET 4 24.819 -3.854 1.157 26 3HE MET 4 HE3 MET 4 24.117 -2.245 1.402 27 H LEU 5 H LEU 5 20.219 -6.240 -1.064 28 HA LEU 5 HA LEU 5 20.365 -8.922 -2.061 29 1HB LEU 5 HB2 LEU 5 18.642 -6.545 -2.822 30 2HB LEU 5 HB3 LEU 5 18.418 -8.177 -3.439 31 HG LEU 5 HG LEU 5 18.153 -8.943 -0.997 32 1HD1 LEU 5 1HD1 LEU 5 17.134 -7.182 0.496 33 2HD1 LEU 5 2HD1 LEU 5 18.867 -7.066 0.317 34 3HD1 LEU 5 3HD1 LEU 5 17.810 -5.951 -0.588 35 1HD2 LEU 5 1HD2 LEU 5 16.308 -8.746 -2.643 36 2HD2 LEU 5 2HD2 LEU 5 15.766 -8.315 -1.016 37 3HD2 LEU 5 3HD2 LEU 5 16.098 -7.035 -2.206 38 H LEU 6 H LEU 6 21.722 -6.005 -3.326 39 HA LEU 6 HA LEU 6 22.904 -7.432 -5.599 40 1HB LEU 6 HB2 LEU 6 20.685 -6.664 -6.396 41 2HB LEU 6 HB3 LEU 6 21.135 -4.992 -6.113 42 HG LEU 6 HG LEU 6 22.665 -6.825 -8.019 43 1HD1 LEU 6 1HD1 LEU 6 21.308 -5.846 -9.831 44 2HD1 LEU 6 2HD1 LEU 6 20.294 -6.736 -8.698 45 3HD1 LEU 6 3HD1 LEU 6 20.332 -4.962 -8.632 46 1HD2 LEU 6 1HD2 LEU 6 23.900 -4.770 -7.546 47 2HD2 LEU 6 2HD2 LEU 6 23.214 -4.654 -9.155 48 3HD2 LEU 6 3HD2 LEU 6 22.440 -3.785 -7.805 49 H GLU 7 H GLU 7 22.414 -4.155 -4.222 50 HA GLU 7 HA GLU 7 25.336 -3.842 -3.787 51 1HB GLU 7 HB2 GLU 7 24.928 -2.961 -6.056 52 2HB GLU 7 HB3 GLU 7 23.753 -1.812 -5.407 53 1HG GLU 7 HG2 GLU 7 25.543 -0.738 -4.071 54 2HG GLU 7 HG3 GLU 7 26.712 -1.933 -4.665 55 H PHE 8 H PHE 8 22.240 -2.017 -3.607 56 HA PHE 8 HA PHE 8 22.471 -1.867 -0.695 57 1HB PHE 8 HB2 PHE 8 23.918 0.010 -1.323 58 2HB PHE 8 HB3 PHE 8 22.656 0.698 -2.326 59 HD1 PHE 8 HD2 PHE 8 23.620 -0.121 1.183 60 HD2 PHE 8 HD1 PHE 8 20.938 2.098 -1.355 61 HE1 PHE 8 HE2 PHE 8 22.774 1.130 3.169 62 HE2 PHE 8 HE1 PHE 8 20.103 3.344 0.624 63 HZ PHE 8 HZ PHE 8 21.026 2.862 2.883 64 H LYS 9 H LYS 9 20.761 -0.161 -3.366 65 HA LYS 9 HA LYS 9 18.731 0.803 -1.800 66 1HB LYS 9 HB2 LYS 9 18.718 0.275 -4.798 67 2HB LYS 9 HB3 LYS 9 17.521 1.267 -3.946 68 1HG LYS 9 HG2 LYS 9 19.320 2.781 -3.145 69 2HG LYS 9 HG3 LYS 9 20.517 1.843 -4.067 70 1HD LYS 9 HD2 LYS 9 19.278 2.342 -6.166 71 2HD LYS 9 HD3 LYS 9 18.095 3.288 -5.236 72 1HE LYS 9 HE2 LYS 9 19.896 4.816 -4.491 73 2HE LYS 9 HE3 LYS 9 21.079 3.887 -5.429 74 1HZ LYS 9 HZ1 LYS 9 20.322 5.823 -6.632 75 2HZ LYS 9 HZ2 LYS 9 19.856 4.456 -7.418 76 3HZ LYS 9 HZ3 LYS 9 18.760 5.321 -6.563 77 H GLN 10 H GLN 10 18.581 -2.422 -3.217 78 HA GLN 10 HA GLN 10 15.794 -2.306 -3.709 79 1HB GLN 10 HB2 GLN 10 17.138 -4.981 -3.489 80 2HB GLN 10 HB3 GLN 10 15.784 -4.480 -4.514 81 1HG GLN 10 HG2 GLN 10 17.461 -2.886 -5.657 82 2HG GLN 10 HG3 GLN 10 18.677 -3.777 -4.702 83 1HE2 GLN 10 2HE2 GLN 10 18.327 -6.353 -5.018 84 2HE2 GLN 10 1HE2 GLN 10 18.061 -6.828 -6.701 85 H PHE 11 H PHE 11 17.493 -3.140 -0.848 86 HA PHE 11 HA PHE 11 15.580 -4.735 0.398 87 1HB PHE 11 HB2 PHE 11 16.480 -4.161 2.499 88 2HB PHE 11 HB3 PHE 11 17.809 -4.243 1.346 89 HD1 PHE 11 HD2 PHE 11 17.702 -1.437 0.179 90 HD2 PHE 11 HD1 PHE 11 17.381 -2.841 4.232 91 HE1 PHE 11 HE2 PHE 11 18.629 0.661 0.928 92 HE2 PHE 11 HE1 PHE 11 18.326 -0.691 5.022 93 HZ PHE 11 HZ PHE 11 18.980 1.074 3.394 94 H LEU 12 H LEU 12 15.556 -1.302 -0.285 95 HA LEU 12 HA LEU 12 13.317 -0.689 1.450 96 1HB LEU 12 HB2 LEU 12 15.394 0.785 0.082 97 2HB LEU 12 HB3 LEU 12 13.840 1.381 -0.447 98 HG LEU 12 HG LEU 12 13.285 1.190 2.229 99 1HD1 LEU 12 1HD1 LEU 12 15.573 0.183 2.611 100 2HD1 LEU 12 2HD1 LEU 12 16.274 1.736 2.118 101 3HD1 LEU 12 3HD1 LEU 12 15.242 1.656 3.566 102 1HD2 LEU 12 1HD2 LEU 12 13.010 3.031 0.801 103 2HD2 LEU 12 2HD2 LEU 12 13.829 3.561 2.299 104 3HD2 LEU 12 3HD2 LEU 12 14.756 3.375 0.774 105 H TYR 13 H TYR 13 13.855 -1.521 -1.794 106 HA TYR 13 HA TYR 13 11.230 -0.658 -2.771 107 1HB TYR 13 HB2 TYR 13 13.624 -2.002 -4.084 108 2HB TYR 13 HB3 TYR 13 12.236 -1.426 -4.942 109 HD1 TYR 13 HD2 TYR 13 12.355 1.065 -2.617 110 HD2 TYR 13 HD1 TYR 13 14.801 -0.434 -5.818 111 HE1 TYR 13 HE2 TYR 13 13.380 3.243 -2.756 112 HE2 TYR 13 HE1 TYR 13 15.866 1.814 -6.001 113 HH TYR 13 HH TYR 13 14.982 4.542 -3.867 114 H GLU 14 H GLU 14 12.654 -3.671 -1.690 115 HA GLU 14 HA GLU 14 10.316 -5.355 -2.349 116 1HB GLU 14 HB2 GLU 14 12.582 -6.298 -1.924 117 2HB GLU 14 HB3 GLU 14 12.507 -5.720 -0.258 118 1HG GLU 14 HG2 GLU 14 10.591 -7.188 0.205 119 2HG GLU 14 HG3 GLU 14 10.518 -7.676 -1.497 120 H ALA 15 H ALA 15 11.490 -3.498 0.432 121 HA ALA 15 HA ALA 15 9.673 -3.996 2.476 122 1HB ALA 15 HB1 ALA 15 10.167 -1.725 3.220 123 2HB ALA 15 HB2 ALA 15 11.646 -2.384 2.497 124 3HB ALA 15 HB3 ALA 15 10.592 -1.235 1.581 125 H SER 16 H SER 16 9.303 -1.937 -0.276 126 HA SER 16 HA SER 16 7.342 -0.134 0.369 127 1HB SER 16 HB2 SER 16 8.505 -1.499 -2.031 128 2HB SER 16 HB3 SER 16 7.094 -0.465 -2.332 129 HG SER 16 HG SER 16 8.524 1.087 -2.365 130 H ILE 17 H ILE 17 6.940 -3.408 -0.710 131 HA ILE 17 HA ILE 17 3.989 -3.196 -1.193 132 HB ILE 17 HB ILE 17 6.430 -3.549 -2.873 133 1HG1 ILE 17 2HG1 ILE 17 5.438 -2.465 -4.536 134 2HG1 ILE 17 3HG1 ILE 17 3.870 -3.158 -4.313 135 1HG2 ILE 17 1HG2 ILE 17 4.215 -5.468 -3.585 136 2HG2 ILE 17 2HG2 ILE 17 5.621 -5.041 -4.570 137 3HG2 ILE 17 3HG2 ILE 17 5.857 -5.874 -3.034 138 1HD1 ILE 17 1HD1 ILE 17 5.036 -0.853 -2.736 139 2HD1 ILE 17 2HD1 ILE 17 3.808 -0.753 -3.973 140 3HD1 ILE 17 3HD1 ILE 17 3.420 -1.540 -2.451 141 H ASP 18 H ASP 18 5.898 -4.545 0.875 142 HA ASP 18 HA ASP 18 5.785 -7.405 0.462 143 1HB ASP 18 HB2 ASP 18 7.579 -6.187 1.705 144 2HB ASP 18 HB3 ASP 18 6.422 -5.846 2.990 145 H GLU 19 H GLU 19 3.792 -5.196 2.248 146 HA GLU 19 HA GLU 19 1.805 -7.377 2.872 147 1HB GLU 19 HB2 GLU 19 2.614 -5.163 4.783 148 2HB GLU 19 HB3 GLU 19 1.281 -6.289 5.034 149 1HG GLU 19 HG2 GLU 19 2.930 -8.177 4.929 150 2HG GLU 19 HG3 GLU 19 4.241 -6.988 4.859 151 H PHE 20 H PHE 20 2.247 -3.872 2.458 152 HA PHE 20 HA PHE 20 -0.378 -2.939 2.636 153 1HB PHE 20 HB2 PHE 20 2.150 -1.932 2.118 154 2HB PHE 20 HB3 PHE 20 1.518 -1.880 0.488 155 HD1 PHE 20 HD2 PHE 20 -1.225 -0.928 0.661 156 HD2 PHE 20 HD1 PHE 20 2.261 0.197 2.971 157 HE1 PHE 20 HE2 PHE 20 -2.126 1.345 0.949 158 HE2 PHE 20 HE1 PHE 20 1.324 2.452 3.273 159 HZ PHE 20 HZ PHE 20 -0.850 3.041 2.244 160 H MET 21 H MET 21 1.272 -4.003 -0.337 161 HA MET 21 HA MET 21 -0.846 -3.652 -2.195 162 1HB MET 21 HB2 MET 21 1.624 -5.387 -1.968 163 2HB MET 21 HB3 MET 21 0.479 -5.833 -3.210 164 1HG MET 21 HG2 MET 21 1.664 -3.050 -2.892 165 2HG MET 21 HG3 MET 21 2.273 -4.355 -3.959 166 1HE MET 21 HE1 MET 21 -1.036 -4.630 -6.373 167 2HE MET 21 HE2 MET 21 0.193 -5.641 -5.590 168 3HE MET 21 HE3 MET 21 -1.282 -5.141 -4.705 169 H GLY 22 H GLY 22 -0.253 -6.181 0.150 170 1HA GLY 22 HA2 GLY 22 -2.384 -7.933 -0.817 171 2HA GLY 22 HA3 GLY 22 -1.454 -8.123 0.704 172 H LYS 23 H LYS 23 -2.194 -5.062 1.287 173 HA LYS 23 HA LYS 23 -4.286 -5.876 2.999 174 1HB LYS 23 HB2 LYS 23 -3.503 -4.434 4.433 175 2HB LYS 23 HB3 LYS 23 -2.063 -4.574 3.487 176 1HG LYS 23 HG2 LYS 23 -2.695 -2.552 2.281 177 2HG LYS 23 HG3 LYS 23 -4.105 -2.444 3.225 178 1HD LYS 23 HD2 LYS 23 -1.378 -2.631 4.501 179 2HD LYS 23 HD3 LYS 23 -2.056 -1.046 4.064 180 1HE LYS 23 HE2 LYS 23 -3.900 -1.383 5.613 181 2HE LYS 23 HE3 LYS 23 -3.434 -3.081 5.806 182 1HZ LYS 23 HZ1 LYS 23 -1.837 -0.768 6.741 183 2HZ LYS 23 HZ2 LYS 23 -2.767 -1.742 7.695 184 3HZ LYS 23 HZ3 LYS 23 -1.442 -2.349 6.943 185 H ILE 24 H ILE 24 -3.524 -3.731 0.297 186 HA ILE 24 HA ILE 24 -6.289 -3.025 -0.268 187 HB ILE 24 HB ILE 24 -5.112 -2.363 -2.475 188 1HG1 ILE 24 2HG1 ILE 24 -2.639 -2.184 -0.949 189 2HG1 ILE 24 3HG1 ILE 24 -3.040 -3.344 -2.283 190 1HG2 ILE 24 1HG2 ILE 24 -6.005 -0.940 -0.398 191 2HG2 ILE 24 2HG2 ILE 24 -4.303 -0.894 0.090 192 3HG2 ILE 24 3HG2 ILE 24 -4.833 -0.207 -1.463 193 1HD1 ILE 24 1HD1 ILE 24 -2.786 -0.515 -2.464 194 2HD1 ILE 24 2HD1 ILE 24 -1.835 -1.812 -3.217 195 3HD1 ILE 24 3HD1 ILE 24 -3.546 -1.599 -3.707 196 H ALA 25 H ALA 25 -4.121 -5.581 -1.597 197 HA ALA 25 HA ALA 25 -5.926 -6.098 -3.801 198 1HB ALA 25 HB1 ALA 25 -3.820 -7.909 -2.577 199 2HB ALA 25 HB2 ALA 25 -4.707 -8.224 -4.071 200 3HB ALA 25 HB3 ALA 25 -3.631 -6.830 -4.002 201 H SER 26 H SER 26 -5.857 -6.891 -0.459 202 HA SER 26 HA SER 26 -8.148 -8.682 -0.750 203 1HB SER 26 HB2 SER 26 -7.477 -9.943 1.001 204 2HB SER 26 HB3 SER 26 -5.916 -9.472 0.361 205 HG SER 26 HG SER 26 -7.316 -8.265 2.534 206 H CYS 27 H CYS 27 -8.220 -5.502 -0.559 207 HA CYS 27 HA CYS 27 -9.098 -5.083 2.070 208 1HB CYS 27 HB2 CYS 27 -9.488 -2.838 1.377 209 2HB CYS 27 HB3 CYS 27 -7.947 -3.444 0.787 210 HG CYS 27 HG CYS 27 -10.633 -3.177 -0.997 211 H GLN 28 H GLN 28 -11.265 -6.024 2.541 212 HA GLN 28 HA GLN 28 -12.767 -7.060 0.296 213 1HB GLN 28 HB2 GLN 28 -13.480 -6.997 3.257 214 2HB GLN 28 HB3 GLN 28 -14.315 -7.993 2.046 215 1HG GLN 28 HG2 GLN 28 -12.856 -9.627 2.465 216 2HG GLN 28 HG3 GLN 28 -11.574 -8.562 1.844 217 1HE2 GLN 28 1HE2 GLN 28 -9.995 -7.931 3.264 218 2HE2 GLN 28 2HE2 GLN 28 -10.146 -8.032 5.020 219 H THR 29 H THR 29 -12.741 -4.034 0.752 220 HA THR 29 HA THR 29 -15.575 -3.317 0.390 221 HB THR 29 HB THR 29 -15.295 -1.636 2.290 222 HG1 THR 29 HG1 THR 29 -13.095 -3.292 2.724 223 1HG2 THR 29 1HG2 THR 29 -16.126 -3.086 4.077 224 2HG2 THR 29 2HG2 THR 29 -16.817 -3.623 2.539 225 3HG2 THR 29 3HG2 THR 29 -15.465 -4.529 3.260 226 H LEU 30 H LEU 30 -15.725 -1.261 -0.628 227 HA LEU 30 HA LEU 30 -13.129 -0.171 -1.529 228 1HB LEU 30 HB2 LEU 30 -15.408 -0.016 -2.865 229 2HB LEU 30 HB3 LEU 30 -15.776 1.212 -1.695 230 HG LEU 30 HG LEU 30 -13.031 1.728 -2.376 231 1HD1 LEU 30 1HD1 LEU 30 -13.274 2.120 -4.788 232 2HD1 LEU 30 2HD1 LEU 30 -12.821 0.567 -4.157 233 3HD1 LEU 30 3HD1 LEU 30 -14.490 0.879 -4.707 234 1HD2 LEU 30 1HD2 LEU 30 -15.461 2.927 -3.473 235 2HD2 LEU 30 2HD2 LEU 30 -14.713 3.256 -1.835 236 3HD2 LEU 30 3HD2 LEU 30 -13.801 3.665 -3.383 237 H GLU 31 H GLU 31 -15.705 0.459 0.701 238 HA GLU 31 HA GLU 31 -15.013 2.923 1.620 239 1HB GLU 31 HB2 GLU 31 -17.031 1.219 1.855 240 2HB GLU 31 HB3 GLU 31 -16.181 0.588 3.269 241 1HG GLU 31 HG2 GLU 31 -16.063 2.796 4.098 242 2HG GLU 31 HG3 GLU 31 -17.132 3.461 2.835 243 H GLY 32 H GLY 32 -13.876 -0.231 2.510 244 1HA GLY 32 HA2 GLY 32 -11.972 0.769 4.456 245 2HA GLY 32 HA3 GLY 32 -12.020 -0.913 3.828 246 H LEU 33 H LEU 33 -11.695 -0.147 1.047 247 HA LEU 33 HA LEU 33 -8.880 0.205 0.816 248 1HB LEU 33 HB2 LEU 33 -10.582 -0.691 -0.850 249 2HB LEU 33 HB3 LEU 33 -11.296 0.794 -1.055 250 HG LEU 33 HG LEU 33 -9.454 1.817 -2.225 251 1HD1 LEU 33 1HD1 LEU 33 -7.827 -0.613 -1.546 252 2HD1 LEU 33 2HD1 LEU 33 -7.458 0.564 -2.830 253 3HD1 LEU 33 3HD1 LEU 33 -7.490 1.098 -1.133 254 1HD2 LEU 33 1HD2 LEU 33 -9.517 -1.010 -3.183 255 2HD2 LEU 33 2HD2 LEU 33 -10.920 0.072 -3.346 256 3HD2 LEU 33 3HD2 LEU 33 -9.363 0.487 -4.100 257 H GLU 34 H GLU 34 -11.431 2.439 0.502 258 HA GLU 34 HA GLU 34 -10.135 4.891 0.073 259 1HB GLU 34 HB2 GLU 34 -12.692 3.917 1.190 260 2HB GLU 34 HB3 GLU 34 -12.365 5.668 1.291 261 1HG GLU 34 HG2 GLU 34 -12.312 4.036 -1.346 262 2HG GLU 34 HG3 GLU 34 -13.676 4.893 -0.635 263 H GLU 35 H GLU 35 -10.756 3.095 3.013 264 HA GLU 35 HA GLU 35 -9.753 5.152 4.927 265 1HB GLU 35 HB2 GLU 35 -10.295 2.197 5.395 266 2HB GLU 35 HB3 GLU 35 -9.708 3.299 6.607 267 1HG GLU 35 HG2 GLU 35 -12.186 4.106 5.163 268 2HG GLU 35 HG3 GLU 35 -12.308 2.709 6.252 269 H LEU 36 H LEU 36 -8.611 2.130 3.496 270 HA LEU 36 HA LEU 36 -5.961 2.231 4.334 271 1HB LEU 36 HB2 LEU 36 -6.768 1.137 1.629 272 2HB LEU 36 HB3 LEU 36 -5.287 0.828 2.467 273 HG LEU 36 HG LEU 36 -7.952 -0.047 3.592 274 1HD1 LEU 36 1HD1 LEU 36 -5.865 -1.601 2.005 275 2HD1 LEU 36 2HD1 LEU 36 -7.296 -2.282 2.815 276 3HD1 LEU 36 3HD1 LEU 36 -7.489 -1.208 1.428 277 1HD2 LEU 36 1HD2 LEU 36 -6.421 -1.533 4.835 278 2HD2 LEU 36 2HD2 LEU 36 -5.079 -0.569 4.127 279 3HD2 LEU 36 3HD2 LEU 36 -6.270 0.213 5.198 280 H GLU 37 H GLU 37 -7.548 3.795 1.494 281 HA GLU 37 HA GLU 37 -5.393 4.934 0.452 282 1HB GLU 37 HB2 GLU 37 -7.725 4.805 -0.396 283 2HB GLU 37 HB3 GLU 37 -8.125 6.297 0.363 284 1HG GLU 37 HG2 GLU 37 -5.749 5.921 -1.463 285 2HG GLU 37 HG3 GLU 37 -7.356 6.140 -2.185 286 H ALA 38 H ALA 38 -7.676 6.236 2.836 287 HA ALA 38 HA ALA 38 -6.286 8.653 3.176 288 1HB ALA 38 HB1 ALA 38 -8.005 7.109 5.198 289 2HB ALA 38 HB2 ALA 38 -7.532 8.809 5.375 290 3HB ALA 38 HB3 ALA 38 -8.610 8.328 4.037 291 H TYR 39 H TYR 39 -6.011 5.496 4.946 292 HA TYR 39 HA TYR 39 -4.095 6.334 6.770 293 1HB TYR 39 HB2 TYR 39 -4.790 4.313 7.484 294 2HB TYR 39 HB3 TYR 39 -5.177 3.768 5.868 295 HD1 TYR 39 HD1 TYR 39 -2.390 3.891 8.337 296 HD2 TYR 39 HD2 TYR 39 -3.744 2.473 4.503 297 HE1 TYR 39 HE1 TYR 39 -0.370 2.467 8.126 298 HE2 TYR 39 HE2 TYR 39 -1.721 1.171 4.235 299 HH TYR 39 HH TYR 39 0.804 1.000 6.814 300 H TYR 40 H TYR 40 -3.657 5.134 3.463 301 HA TYR 40 HA TYR 40 -0.831 5.037 3.156 302 1HB TYR 40 HB2 TYR 40 -2.395 4.246 1.452 303 2HB TYR 40 HB3 TYR 40 -3.239 5.756 1.489 304 HD1 TYR 40 HD2 TYR 40 0.393 4.924 0.686 305 HD2 TYR 40 HD1 TYR 40 -3.340 6.802 -0.428 306 HE1 TYR 40 HE2 TYR 40 1.338 5.560 -1.512 307 HE2 TYR 40 HE1 TYR 40 -2.360 7.506 -2.559 308 HH TYR 40 HH TYR 40 1.025 7.138 -3.314 309 H LYS 41 H LYS 41 -3.098 7.761 2.427 310 HA LYS 41 HA LYS 41 -1.125 9.721 2.012 311 1HB LYS 41 HB2 LYS 41 -3.909 10.061 3.029 312 2HB LYS 41 HB3 LYS 41 -2.895 11.369 2.396 313 1HG LYS 41 HG2 LYS 41 -3.085 8.935 0.608 314 2HG LYS 41 HG3 LYS 41 -4.579 9.737 0.969 315 1HD LYS 41 HD2 LYS 41 -3.768 10.736 -1.002 316 2HD LYS 41 HD3 LYS 41 -3.359 11.934 0.235 317 1HE LYS 41 HE2 LYS 41 -1.199 10.333 0.323 318 2HE LYS 41 HE3 LYS 41 -1.661 9.983 -1.331 319 1HZ LYS 41 HZ1 LYS 41 -1.570 12.363 -1.796 320 2HZ LYS 41 HZ2 LYS 41 -1.068 12.693 -0.271 321 3HZ LYS 41 HZ3 LYS 41 -0.117 11.833 -1.276 322 H LYS 42 H LYS 42 -2.641 8.751 5.107 323 HA LYS 42 HA LYS 42 -1.694 10.757 6.839 324 1HB LYS 42 HB2 LYS 42 -2.790 7.925 6.947 325 2HB LYS 42 HB3 LYS 42 -2.478 8.759 8.387 326 1HG LYS 42 HG2 LYS 42 -4.318 9.888 6.283 327 2HG LYS 42 HG3 LYS 42 -4.860 8.773 7.555 328 1HD LYS 42 HD2 LYS 42 -4.337 10.443 9.260 329 2HD LYS 42 HD3 LYS 42 -3.599 11.485 8.005 330 1HE LYS 42 HE2 LYS 42 -5.838 11.262 6.742 331 2HE LYS 42 HE3 LYS 42 -6.517 10.590 8.233 332 1HZ LYS 42 HZ1 LYS 42 -5.332 13.284 8.005 333 2HZ LYS 42 HZ2 LYS 42 -6.933 12.943 8.092 334 3HZ LYS 42 HZ3 LYS 42 -5.958 12.634 9.375 335 H ARG 43 H ARG 43 -0.500 7.421 6.106 336 HA ARG 43 HA ARG 43 1.777 7.640 7.893 337 1HB ARG 43 HB2 ARG 43 0.542 5.555 7.177 338 2HB ARG 43 HB3 ARG 43 1.304 5.716 5.583 339 1HG ARG 43 HG2 ARG 43 3.503 5.856 7.201 340 2HG ARG 43 HG3 ARG 43 2.451 4.892 8.245 341 1HD ARG 43 HD2 ARG 43 2.074 3.288 6.340 342 2HD ARG 43 HD3 ARG 43 3.208 4.247 5.366 343 HE ARG 43 HE ARG 43 4.276 3.293 7.937 344 1HH1 ARG 43 1HH1 ARG 43 3.939 2.453 4.535 345 2HH1 ARG 43 2HH1 ARG 43 5.293 1.350 4.591 346 1HH2 ARG 43 1HH2 ARG 43 5.956 1.847 7.925 347 2HH2 ARG 43 2HH2 ARG 43 6.357 0.987 6.455 348 H VAL 44 H VAL 44 1.450 8.199 4.340 349 HA VAL 44 HA VAL 44 4.079 7.877 3.728 350 HB VAL 44 HB VAL 44 1.583 9.186 2.640 351 1HG1 VAL 44 1HG1 VAL 44 3.015 10.762 1.713 352 2HG1 VAL 44 2HG1 VAL 44 4.185 9.498 1.185 353 3HG1 VAL 44 3HG1 VAL 44 2.539 9.585 0.475 354 1HG2 VAL 44 1HG2 VAL 44 3.529 7.019 1.902 355 2HG2 VAL 44 2HG2 VAL 44 2.049 6.774 2.748 356 3HG2 VAL 44 3HG2 VAL 44 1.976 7.328 1.047 357 H LYS 45 H LYS 45 2.616 10.766 4.914 358 HA LYS 45 HA LYS 45 4.885 12.467 4.682 359 1HB LYS 45 HB2 LYS 45 3.481 13.926 6.147 360 2HB LYS 45 HB3 LYS 45 2.476 13.043 4.964 361 1HG LYS 45 HG2 LYS 45 2.181 11.315 6.800 362 2HG LYS 45 HG3 LYS 45 3.032 12.501 7.837 363 1HD LYS 45 HD2 LYS 45 1.163 14.182 7.309 364 2HD LYS 45 HD3 LYS 45 0.251 12.756 6.709 365 1HE LYS 45 HE2 LYS 45 1.178 11.600 8.820 366 2HE LYS 45 HE3 LYS 45 1.525 13.204 9.454 367 1HZ LYS 45 HZ1 LYS 45 -0.604 12.497 10.249 368 2HZ LYS 45 HZ2 LYS 45 -0.804 13.785 9.265 369 3HZ LYS 45 HZ3 LYS 45 -1.178 12.283 8.720 370 H GLU 46 H GLU 46 3.887 10.121 7.016 371 HA GLU 46 HA GLU 46 5.255 11.034 9.415 372 1HB GLU 46 HB2 GLU 46 3.097 9.911 9.476 373 2HB GLU 46 HB3 GLU 46 3.832 8.471 8.756 374 1HG GLU 46 HG2 GLU 46 5.116 7.964 10.642 375 2HG GLU 46 HG3 GLU 46 4.764 9.559 11.318 376 H THR 47 H THR 47 5.930 9.122 6.770 377 HA THR 47 HA THR 47 8.602 8.475 7.774 378 HB THR 47 HB THR 47 7.336 6.631 8.621 379 HG1 THR 47 HG1 THR 47 8.559 5.038 8.004 380 1HG2 THR 47 1HG2 THR 47 6.271 4.950 7.190 381 2HG2 THR 47 2HG2 THR 47 5.492 6.532 7.149 382 3HG2 THR 47 3HG2 THR 47 6.476 6.015 5.770 383 H GLU 48 H GLU 48 8.361 6.360 5.270 384 HA GLU 48 HA GLU 48 9.820 8.194 3.546 385 1HB GLU 48 HB2 GLU 48 10.869 5.604 4.587 386 2HB GLU 48 HB3 GLU 48 11.756 6.791 3.608 387 1HG GLU 48 HG2 GLU 48 11.303 8.460 5.473 388 2HG GLU 48 HG3 GLU 48 10.725 7.110 6.432 389 H LEU 49 H LEU 49 7.474 7.362 2.884 390 HA LEU 49 HA LEU 49 7.516 5.456 0.684 391 1HB LEU 49 HB2 LEU 49 5.494 6.305 1.660 392 2HB LEU 49 HB3 LEU 49 5.893 7.963 1.372 393 HG LEU 49 HG LEU 49 4.144 7.380 -0.046 394 1HD1 LEU 49 1HD1 LEU 49 5.924 8.884 -0.835 395 2HD1 LEU 49 2HD1 LEU 49 6.441 7.557 -1.919 396 3HD1 LEU 49 3HD1 LEU 49 4.799 8.224 -2.033 397 1HD2 LEU 49 1HD2 LEU 49 4.555 4.978 -0.038 398 2HD2 LEU 49 2HD2 LEU 49 4.098 5.675 -1.582 399 3HD2 LEU 49 3HD2 LEU 49 5.801 5.232 -1.309 400 H LYS 50 H LYS 50 9.455 5.513 -0.066 401 HA LYS 50 HA LYS 50 10.566 7.487 -1.834 402 1HB LYS 50 HB2 LYS 50 11.895 5.725 -2.555 403 2HB LYS 50 HB3 LYS 50 11.589 5.252 -0.950 404 1HG LYS 50 HG2 LYS 50 9.534 4.042 -2.659 405 2HG LYS 50 HG3 LYS 50 11.149 3.808 -3.351 406 1HD LYS 50 HD2 LYS 50 10.641 1.985 -1.868 407 2HD LYS 50 HD3 LYS 50 11.905 2.995 -1.144 408 1HE LYS 50 HE2 LYS 50 10.311 4.124 0.228 409 2HE LYS 50 HE3 LYS 50 8.943 3.263 -0.508 410 1HZ LYS 50 HZ1 LYS 50 9.904 1.181 0.365 411 2HZ LYS 50 HZ2 LYS 50 11.011 2.034 1.215 412 3HZ LYS 50 HZ3 LYS 50 9.409 2.206 1.557 413 H ASP 51 H ASP 51 10.535 6.896 -4.304 414 HA ASP 51 HA ASP 51 7.829 7.398 -5.254 415 1HB ASP 51 HB2 ASP 51 8.771 7.185 -7.482 416 2HB ASP 51 HB3 ASP 51 9.714 8.287 -6.455 417 H THR 52 H THR 52 9.859 4.518 -5.126 418 HA THR 52 HA THR 52 8.552 2.806 -6.871 419 HB THR 52 HB THR 52 9.748 2.269 -4.163 420 HG1 THR 52 HG1 THR 52 11.723 1.992 -5.295 421 1HG2 THR 52 1HG2 THR 52 8.804 0.166 -4.999 422 2HG2 THR 52 2HG2 THR 52 9.520 0.439 -6.602 423 3HG2 THR 52 3HG2 THR 52 10.559 0.077 -5.189 424 H ASP 53 H ASP 53 7.852 3.220 -3.334 425 HA ASP 53 HA ASP 53 5.869 1.099 -3.257 426 1HB ASP 53 HB2 ASP 53 6.736 1.563 -1.200 427 2HB ASP 53 HB3 ASP 53 6.763 3.290 -1.379 428 H ASP 54 H ASP 54 5.823 4.579 -3.655 429 HA ASP 54 HA ASP 54 3.085 5.015 -3.311 430 1HB ASP 54 HB2 ASP 54 5.168 6.584 -3.599 431 2HB ASP 54 HB3 ASP 54 4.863 6.500 -5.297 432 H ILE 55 H ILE 55 4.872 4.258 -6.283 433 HA ILE 55 HA ILE 55 2.467 4.650 -7.962 434 HB ILE 55 HB ILE 55 4.633 3.112 -9.271 435 1HG1 ILE 55 2HG1 ILE 55 5.649 5.732 -9.585 436 2HG1 ILE 55 3HG1 ILE 55 5.376 5.574 -7.887 437 1HG2 ILE 55 1HG2 ILE 55 2.592 3.967 -10.390 438 2HG2 ILE 55 2HG2 ILE 55 3.112 5.637 -10.037 439 3HG2 ILE 55 3HG2 ILE 55 4.077 4.617 -11.116 440 1HD1 ILE 55 1HD1 ILE 55 6.600 3.308 -7.964 441 2HD1 ILE 55 2HD1 ILE 55 6.925 3.610 -9.684 442 3HD1 ILE 55 3HD1 ILE 55 7.630 4.679 -8.465 443 H SER 56 H SER 56 4.403 1.927 -6.778 444 HA SER 56 HA SER 56 3.056 -0.033 -8.350 445 1HB SER 56 HB2 SER 56 4.945 0.075 -6.071 446 2HB SER 56 HB3 SER 56 3.961 -1.396 -6.117 447 HG SER 56 HG SER 56 4.738 -1.751 -8.250 448 H VAL 57 H VAL 57 2.575 1.107 -5.105 449 HA VAL 57 HA VAL 57 0.390 -0.679 -4.437 450 HB VAL 57 HB VAL 57 2.223 0.489 -2.894 451 1HG1 VAL 57 1HG1 VAL 57 1.454 2.714 -3.194 452 2HG1 VAL 57 2HG1 VAL 57 -0.172 2.238 -2.522 453 3HG1 VAL 57 3HG1 VAL 57 1.298 2.142 -1.515 454 1HG2 VAL 57 1HG2 VAL 57 0.582 -1.264 -2.228 455 2HG2 VAL 57 2HG2 VAL 57 0.868 -0.013 -0.996 456 3HG2 VAL 57 3HG2 VAL 57 -0.617 0.042 -1.956 457 H ARG 58 H ARG 58 0.726 2.854 -5.168 458 HA ARG 58 HA ARG 58 -2.016 3.327 -4.900 459 1HB ARG 58 HB2 ARG 58 -0.365 5.080 -5.371 460 2HB ARG 58 HB3 ARG 58 -0.330 4.673 -7.059 461 1HG ARG 58 HG2 ARG 58 -1.758 6.575 -6.661 462 2HG ARG 58 HG3 ARG 58 -2.737 5.254 -7.269 463 1HD ARG 58 HD2 ARG 58 -3.567 4.818 -5.000 464 2HD ARG 58 HD3 ARG 58 -2.473 6.020 -4.328 465 HE ARG 58 HE ARG 58 -5.041 6.470 -5.632 466 1HH1 ARG 58 2HH1 ARG 58 -2.014 8.106 -4.883 467 2HH1 ARG 58 1HH1 ARG 58 -2.740 9.680 -5.055 468 1HH2 ARG 58 1HH2 ARG 58 -5.866 8.501 -5.814 469 2HH2 ARG 58 2HH2 ARG 58 -4.858 9.897 -5.517 470 H ASP 59 H ASP 59 -0.225 2.299 -7.760 471 HA ASP 59 HA ASP 59 -2.431 2.670 -9.487 472 1HB ASP 59 HB2 ASP 59 -0.086 2.388 -10.228 473 2HB ASP 59 HB3 ASP 59 -0.163 0.677 -9.803 474 H ALA 60 H ALA 60 -1.791 0.281 -7.312 475 HA ALA 60 HA ALA 60 -3.492 -1.944 -8.141 476 1HB ALA 60 HB1 ALA 60 -1.260 -2.449 -7.246 477 2HB ALA 60 HB2 ALA 60 -1.608 -1.538 -5.775 478 3HB ALA 60 HB3 ALA 60 -2.548 -3.012 -6.131 479 H LEU 61 H LEU 61 -3.169 0.463 -5.495 480 HA LEU 61 HA LEU 61 -5.477 -0.144 -4.066 481 1HB LEU 61 HB2 LEU 61 -3.331 1.135 -3.560 482 2HB LEU 61 HB3 LEU 61 -3.921 2.453 -4.523 483 HG LEU 61 HG LEU 61 -5.633 1.452 -2.417 484 1HD1 LEU 61 1HD1 LEU 61 -4.415 2.539 -0.592 485 2HD1 LEU 61 2HD1 LEU 61 -3.408 1.309 -1.394 486 3HD1 LEU 61 3HD1 LEU 61 -3.143 3.025 -1.751 487 1HD2 LEU 61 1HD2 LEU 61 -6.291 3.436 -3.735 488 2HD2 LEU 61 2HD2 LEU 61 -6.206 3.731 -1.994 489 3HD2 LEU 61 3HD2 LEU 61 -4.898 4.308 -3.049 490 H ALA 62 H ALA 62 -4.802 2.543 -6.363 491 HA ALA 62 HA ALA 62 -7.513 3.038 -6.986 492 1HB ALA 62 HB1 ALA 62 -5.671 4.613 -7.512 493 2HB ALA 62 HB2 ALA 62 -5.068 3.481 -8.744 494 3HB ALA 62 HB3 ALA 62 -6.652 4.275 -8.942 495 H GLY 63 H GLY 63 -5.493 0.497 -7.899 496 1HA GLY 63 HA2 GLY 63 -6.440 -0.518 -10.342 497 2HA GLY 63 HA3 GLY 63 -5.612 -1.377 -9.088 498 H LYS 64 H LYS 64 -6.974 -1.177 -6.915 499 HA LYS 64 HA LYS 64 -9.191 -3.009 -7.225 500 1HB LYS 64 HB2 LYS 64 -7.299 -3.135 -5.467 501 2HB LYS 64 HB3 LYS 64 -8.215 -1.876 -4.651 502 1HG LYS 64 HG2 LYS 64 -9.406 -3.654 -3.756 503 2HG LYS 64 HG3 LYS 64 -10.229 -3.606 -5.285 504 1HD LYS 64 HD2 LYS 64 -8.665 -5.311 -6.216 505 2HD LYS 64 HD3 LYS 64 -7.897 -5.406 -4.621 506 1HE LYS 64 HE2 LYS 64 -10.102 -6.063 -3.616 507 2HE LYS 64 HE3 LYS 64 -10.843 -5.981 -5.217 508 1HZ LYS 64 HZ1 LYS 64 -8.682 -7.838 -4.379 509 2HZ LYS 64 HZ2 LYS 64 -10.252 -8.238 -4.635 510 3HZ LYS 64 HZ3 LYS 64 -9.333 -7.771 -5.898 511 H ARG 65 H ARG 65 -8.832 0.407 -6.511 512 HA ARG 65 HA ARG 65 -11.232 0.847 -5.343 513 1HB ARG 65 HB2 ARG 65 -9.210 2.343 -5.934 514 2HB ARG 65 HB3 ARG 65 -10.144 2.831 -7.319 515 1HG ARG 65 HG2 ARG 65 -11.640 4.123 -5.955 516 2HG ARG 65 HG3 ARG 65 -11.516 2.973 -4.681 517 1HD ARG 65 HD2 ARG 65 -9.341 3.678 -3.993 518 2HD ARG 65 HD3 ARG 65 -9.049 4.483 -5.520 519 HE ARG 65 HE ARG 65 -10.473 5.593 -3.202 520 1HH1 ARG 65 1HH2 ARG 65 -10.039 6.103 -6.675 521 2HH1 ARG 65 2HH2 ARG 65 -10.520 7.776 -6.525 522 1HH2 ARG 65 1HH1 ARG 65 -11.061 7.564 -3.130 523 2HH2 ARG 65 2HH1 ARG 65 -11.110 8.616 -4.553 524 H ALA 66 H ALA 66 -10.559 0.721 -8.769 525 HA ALA 66 HA ALA 66 -13.235 1.314 -9.719 526 1HB ALA 66 HB1 ALA 66 -12.596 0.222 -11.782 527 2HB ALA 66 HB2 ALA 66 -11.314 1.342 -11.230 528 3HB ALA 66 HB3 ALA 66 -11.140 -0.437 -11.012 529 H GLU 67 H GLU 67 -11.765 -1.655 -8.455 530 HA GLU 67 HA GLU 67 -13.591 -3.600 -9.601 531 1HB GLU 67 HB2 GLU 67 -11.854 -3.782 -7.149 532 2HB GLU 67 HB3 GLU 67 -12.559 -5.105 -8.051 533 1HG GLU 67 HG2 GLU 67 -10.466 -3.146 -9.148 534 2HG GLU 67 HG3 GLU 67 -10.207 -4.644 -8.295 535 H LEU 68 H LEU 68 -13.058 -1.724 -6.770 536 HA LEU 68 HA LEU 68 -14.910 -3.128 -5.027 537 1HB LEU 68 HB2 LEU 68 -12.675 -1.326 -4.753 538 2HB LEU 68 HB3 LEU 68 -13.962 -1.270 -3.515 539 HG LEU 68 HG LEU 68 -12.433 -3.751 -4.452 540 1HD1 LEU 68 1HD1 LEU 68 -11.584 -3.595 -2.290 541 2HD1 LEU 68 2HD1 LEU 68 -11.219 -2.203 -3.367 542 3HD1 LEU 68 3HD1 LEU 68 -12.440 -2.016 -2.064 543 1HD2 LEU 68 1HD2 LEU 68 -14.744 -4.361 -3.375 544 2HD2 LEU 68 2HD2 LEU 68 -13.494 -4.547 -2.135 545 3HD2 LEU 68 3HD2 LEU 68 -14.436 -3.060 -2.197 546 H GLU 69 H GLU 69 -14.732 -0.228 -6.832 547 HA GLU 69 HA GLU 69 -17.097 1.101 -6.020 548 1HB GLU 69 HB2 GLU 69 -14.894 1.188 -8.081 549 2HB GLU 69 HB3 GLU 69 -16.275 1.777 -8.530 550 1HG GLU 69 HG2 GLU 69 -16.244 3.307 -6.330 551 2HG GLU 69 HG3 GLU 69 -14.606 2.734 -6.215 552 H ASP 70 H ASP 70 -16.210 -1.283 -8.393 553 HA ASP 70 HA ASP 70 -18.887 -1.525 -9.633 554 1HB ASP 70 HB2 ASP 70 -16.486 -2.625 -10.339 555 2HB ASP 70 HB3 ASP 70 -17.148 -3.954 -9.437 556 H SER 71 H SER 71 -17.115 -2.522 -6.814 557 HA SER 71 HA SER 71 -19.298 -4.323 -5.991 558 1HB SER 71 HB2 SER 71 -16.805 -4.867 -5.775 559 2HB SER 71 HB3 SER 71 -16.796 -3.848 -4.332 560 HG SER 71 HG SER 71 -18.353 -6.187 -4.828 561 H ASP 72 H ASP 72 -19.434 -1.267 -6.049 562 HA ASP 72 HA ASP 72 -19.440 -0.072 -3.530 563 1HB ASP 72 HB2 ASP 72 -19.501 1.216 -5.535 564 2HB ASP 72 HB3 ASP 72 -21.090 0.565 -5.983 565 H ASP 73 H ASP 73 -21.759 -2.189 -4.900 566 HA ASP 73 HA ASP 73 -23.660 -1.995 -2.580 567 1HB ASP 73 HB2 ASP 73 -24.720 -1.426 -4.737 568 2HB ASP 73 HB3 ASP 73 -24.244 -3.037 -5.305 569 H GLU 74 H GLU 74 -23.451 -3.609 -1.245 570 HA GLU 74 HA GLU 74 -21.115 -5.197 -1.668 571 1HB GLU 74 HB2 GLU 74 -22.885 -5.009 0.776 572 2HB GLU 74 HB3 GLU 74 -21.302 -5.818 0.702 573 1HG GLU 74 HG2 GLU 74 -20.265 -3.639 -0.040 574 2HG GLU 74 HG3 GLU 74 -21.841 -2.874 0.150 575 H VAL 75 H VAL 75 -20.663 -7.309 -1.430 576 HA VAL 75 HA VAL 75 -22.168 -9.107 -2.910 577 HB VAL 75 HB VAL 75 -20.066 -9.768 -0.800 578 1HG1 VAL 75 1HG1 VAL 75 -21.216 -11.841 -1.404 579 2HG1 VAL 75 2HG1 VAL 75 -21.099 -11.441 -3.131 580 3HG1 VAL 75 3HG1 VAL 75 -19.640 -11.812 -2.187 581 1HG2 VAL 75 1HG2 VAL 75 -19.802 -9.292 -3.802 582 2HG2 VAL 75 2HG2 VAL 75 -19.184 -8.235 -2.515 583 3HG2 VAL 75 3HG2 VAL 75 -18.503 -9.847 -2.733 584 H GLU 76 H GLU 76 -23.603 -10.597 -2.604 585 HA GLU 76 HA GLU 76 -25.105 -12.025 -1.913 586 1HB GLU 76 HB2 GLU 76 -24.564 -13.623 -0.480 587 2HB GLU 76 HB3 GLU 76 -22.991 -12.933 -0.722 588 1HG GLU 76 HG2 GLU 76 -23.156 -11.739 1.441 589 2HG GLU 76 HG3 GLU 76 -24.805 -12.326 1.653 590 H GLU 77 H GLU 77 -24.916 -9.227 -0.066 591 HA GLU 77 HA GLU 77 -27.539 -9.552 1.279 592 1HB GLU 77 HB2 GLU 77 -25.967 -7.019 0.644 593 2HB GLU 77 HB3 GLU 77 -27.476 -7.108 1.557 594 1HG GLU 77 HG2 GLU 77 -26.286 -8.697 3.171 595 2HG GLU 77 HG3 GLU 77 -24.782 -8.289 2.325 596 H SER 78 H SER 78 -26.143 -8.584 -1.721 597 HA SER 78 HA SER 78 -28.626 -9.266 -3.049 598 1HB SER 78 HB2 SER 78 -27.034 -6.864 -4.046 599 2HB SER 78 HB3 SER 78 -28.620 -7.423 -4.626 600 HG SER 78 HG SER 78 -28.106 -6.616 -1.974 601 H PHE 79 H PHE 79 -28.185 -10.083 -5.226 602 HA PHE 79 HA PHE 79 -25.387 -10.595 -5.986 603 1HB PHE 79 HB2 PHE 79 -25.758 -13.053 -6.042 604 2HB PHE 79 HB3 PHE 79 -25.701 -12.369 -4.440 605 HD1 PHE 79 HD2 PHE 79 -27.939 -13.885 -6.978 606 HD2 PHE 79 HD1 PHE 79 -27.633 -12.402 -2.943 607 HE1 PHE 79 HE2 PHE 79 -30.101 -14.965 -6.408 608 HE2 PHE 79 HE1 PHE 79 -29.789 -13.492 -2.376 609 HZ PHE 79 HZ PHE 79 -31.025 -14.788 -4.108
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