NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588671 | 2mh8 | 19623 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 -6.600 14.233 0.086 2 H2 ASN 1 2H ASN 1 -6.016 14.702 1.386 3 H3 ASN 1 H ASN 1 -5.395 15.142 0.060 4 H3 ASN 1 3H ASN 1 -5.414 15.152 0.088 5 HA ASN 1 HA ASN 1 -4.557 12.890 1.569 6 HB2 ASN 1 1HB ASN 1 -5.722 11.920 -1.148 7 HB3 ASN 1 2HB ASN 1 -4.593 11.297 0.081 8 HD21 ASN 1 2HD2 ASN 1 -7.294 10.438 -0.927 9 HD22 ASN 1 1HD2 ASN 1 -8.244 10.228 0.508 10 H GLY 2 H GLY 2 -2.486 12.372 1.211 11 HA2 GLY 2 1HA GLY 2 -0.465 12.259 -0.012 12 HA3 GLY 2 2HA GLY 2 -1.190 13.259 -1.291 13 H ASP 3 H ASP 3 -1.676 14.342 1.939 14 HA ASP 3 HA ASP 3 -0.300 16.830 1.471 15 HB2 ASP 3 1HB ASP 3 -2.279 16.349 3.163 16 HB3 ASP 3 2HB ASP 3 -0.933 15.627 4.079 17 H LYS 4 H LYS 4 1.739 17.290 1.494 18 HA LYS 4 HA LYS 4 3.685 15.319 2.444 19 HB2 LYS 4 1HB LYS 4 3.945 18.103 1.302 20 HB3 LYS 4 2HB LYS 4 5.323 17.073 1.759 21 HG2 LYS 4 1HG LYS 4 4.606 15.388 0.105 22 HG3 LYS 4 2HG LYS 4 3.243 16.435 -0.360 23 HD2 LYS 4 1HD LYS 4 4.821 18.185 -1.064 24 HD3 LYS 4 2HD LYS 4 6.186 17.150 -0.587 25 HE2 LYS 4 1HE LYS 4 5.486 15.466 -2.236 26 HE3 LYS 4 2HE LYS 4 4.123 16.502 -2.715 27 HZ1 LYS 4 3HZ LYS 4 6.979 17.194 -2.979 28 HZ2 LYS 4 1HZ LYS 4 5.985 16.733 -4.212 29 HZ3 LYS 4 2HZ LYS 4 5.715 18.156 -3.424 30 H GLY 5 H GLY 5 2.175 18.176 3.713 31 HA2 GLY 5 1HA GLY 5 4.239 18.744 5.676 32 HA3 GLY 5 2HA GLY 5 2.594 19.421 5.630 33 H TYR 6 H TYR 6 1.117 17.027 5.683 34 HA TYR 6 HA TYR 6 1.334 16.361 8.538 35 HB2 TYR 6 1HB TYR 6 -0.533 15.457 6.339 36 HB3 TYR 6 2HB TYR 6 -0.644 14.936 8.038 37 HD1 TYR 6 1HD TYR 6 0.375 17.959 8.770 38 HD2 TYR 6 2HD TYR 6 -2.934 16.254 6.689 39 HE1 TYR 6 1HE TYR 6 -0.981 19.964 9.299 40 HE2 TYR 6 2HE TYR 6 -4.301 18.248 7.208 41 HH TYR 6 HH TYR 6 -4.366 20.285 8.222 42 H ASN 7 H ASN 7 1.343 14.210 9.365 43 HA ASN 7 HA ASN 7 3.199 12.468 7.811 44 HB2 ASN 7 1HB ASN 7 2.514 12.236 10.837 45 HB3 ASN 7 2HB ASN 7 3.405 11.269 9.638 46 HD21 ASN 7 2HD2 ASN 7 4.092 12.897 12.134 47 HD22 ASN 7 1HD2 ASN 7 5.460 13.840 11.641 48 H GLY 8 H GLY 8 0.009 12.861 7.888 49 HA2 GLY 8 1HA GLY 8 -1.044 10.285 8.496 50 HA3 GLY 8 2HA GLY 8 -1.791 11.489 7.420 51 H LEU 9 H LEU 9 0.299 11.669 5.507 52 HA LEU 9 HA LEU 9 -0.308 9.419 3.816 53 HB2 LEU 9 1HB LEU 9 0.174 11.514 3.005 54 HB3 LEU 9 2HB LEU 9 1.843 11.596 3.614 55 HG LEU 9 HG LEU 9 2.371 9.599 2.162 56 HD11 LEU 9 1HD1 LEU 9 0.794 9.138 0.265 57 HD12 LEU 9 2HD1 LEU 9 0.027 8.814 1.837 58 HD13 LEU 9 3HD1 LEU 9 -0.352 10.312 0.953 59 HD21 LEU 9 3HD2 LEU 9 3.022 11.843 1.514 60 HD22 LEU 9 1HD2 LEU 9 2.540 10.910 0.076 61 HD23 LEU 9 2HD2 LEU 9 1.430 12.120 0.766 62 H ALA 10 H ALA 10 2.556 10.246 5.756 63 HA ALA 10 HA ALA 10 4.091 7.981 4.895 64 HB1 ALA 10 1HB ALA 10 5.505 8.471 6.853 65 HB2 ALA 10 2HB ALA 10 5.120 9.949 5.938 66 HB3 ALA 10 3HB ALA 10 4.268 9.597 7.461 67 H GLU 11 H GLU 11 1.849 8.485 7.594 68 HA GLU 11 HA GLU 11 2.313 5.875 8.780 69 HB2 GLU 11 1HB GLU 11 0.068 7.882 8.985 70 HB3 GLU 11 2HB GLU 11 0.106 6.349 9.888 71 HG2 GLU 11 1HG GLU 11 2.197 7.109 11.072 72 HG3 GLU 11 2HG GLU 11 2.152 8.525 9.998 73 H ALA 12 H ALA 12 0.053 7.135 6.369 74 HA ALA 12 HA ALA 12 -1.518 4.753 6.146 75 HB1 ALA 12 1HB ALA 12 -2.174 5.651 3.947 76 HB2 ALA 12 2HB ALA 12 -2.238 6.904 5.209 77 HB3 ALA 12 3HB ALA 12 -0.880 6.866 4.059 78 H LYS 13 H LYS 13 1.419 5.831 4.447 79 HA LYS 13 HA LYS 13 1.595 3.492 2.757 80 HB2 LYS 13 1HB LYS 13 3.615 5.533 3.685 81 HB3 LYS 13 2HB LYS 13 4.002 4.206 2.565 82 HG2 LYS 13 1HG LYS 13 2.329 5.071 0.970 83 HG3 LYS 13 2HG LYS 13 1.966 6.408 2.088 84 HD2 LYS 13 1HD LYS 13 4.234 7.253 1.884 85 HD3 LYS 13 2HD LYS 13 4.696 5.860 0.878 86 HE2 LYS 13 1HE LYS 13 3.000 6.575 -0.803 87 HE3 LYS 13 2HE LYS 13 2.687 8.023 0.182 88 HZ1 LYS 13 3HZ LYS 13 5.273 7.313 -1.048 89 HZ2 LYS 13 1HZ LYS 13 4.238 8.475 -1.595 90 HZ3 LYS 13 2HZ LYS 13 4.983 8.656 -0.134 91 H GLU 14 H GLU 14 2.830 4.277 5.974 92 HA GLU 14 HA GLU 14 4.557 1.995 6.227 93 HB2 GLU 14 1HB GLU 14 4.647 3.950 7.693 94 HB3 GLU 14 2HB GLU 14 3.035 3.542 8.331 95 HG2 GLU 14 1HG GLU 14 4.021 1.373 9.257 96 HG3 GLU 14 2HG GLU 14 5.550 1.941 8.548 97 H LYS 15 H LYS 15 1.165 2.491 7.225 98 HA LYS 15 HA LYS 15 0.940 -0.224 8.260 99 HB2 LYS 15 1HB LYS 15 -1.094 1.903 7.582 100 HB3 LYS 15 2HB LYS 15 -1.497 0.324 8.300 101 HG2 LYS 15 1HG LYS 15 -0.117 0.868 10.267 102 HG3 LYS 15 2HG LYS 15 0.280 2.448 9.551 103 HD2 LYS 15 1HD LYS 15 -2.110 3.054 9.568 104 HD3 LYS 15 2HD LYS 15 -2.501 1.477 10.297 105 HE2 LYS 15 1HE LYS 15 -1.127 2.036 12.253 106 HE3 LYS 15 2HE LYS 15 -0.724 3.607 11.526 107 HZ1 LYS 15 3HZ LYS 15 -3.430 2.717 12.291 108 HZ2 LYS 15 1HZ LYS 15 -2.505 3.799 13.124 109 HZ3 LYS 15 2HZ LYS 15 -3.057 4.175 11.616 110 H ALA 16 H ALA 16 0.428 1.305 5.164 111 HA ALA 16 HA ALA 16 -1.149 -0.792 3.997 112 HB1 ALA 16 1HB ALA 16 -0.434 0.171 1.845 113 HB2 ALA 16 2HB ALA 16 -0.962 1.434 2.981 114 HB3 ALA 16 3HB ALA 16 0.773 1.166 2.692 115 H ILE 17 H ILE 17 2.368 -0.179 4.011 116 HA ILE 17 HA ILE 17 2.911 -2.695 2.578 117 HB ILE 17 HB ILE 17 5.269 -2.122 2.911 118 HG12 ILE 17 1HG1 ILE 17 4.297 0.135 4.645 119 HG13 ILE 17 2HG1 ILE 17 5.015 -1.385 5.228 120 HG21 ILE 17 1HG2 ILE 17 5.337 0.097 1.825 121 HG22 ILE 17 2HG2 ILE 17 4.072 -0.928 1.108 122 HG23 ILE 17 3HG2 ILE 17 3.630 0.360 2.254 123 HD11 ILE 17 3HD1 ILE 17 6.395 0.675 3.470 124 HD12 ILE 17 1HD1 ILE 17 6.676 0.435 5.210 125 HD13 ILE 17 2HD1 ILE 17 7.114 -0.845 4.053 126 H LYS 18 H LYS 18 2.597 -1.715 5.891 127 HA LYS 18 HA LYS 18 3.704 -4.076 7.083 128 HB2 LYS 18 1HB LYS 18 2.992 -2.095 8.336 129 HB3 LYS 18 2HB LYS 18 1.301 -2.434 7.896 130 HG2 LYS 18 1HG LYS 18 1.372 -4.534 9.149 131 HG3 LYS 18 2HG LYS 18 3.084 -4.255 9.549 132 HD2 LYS 18 1HD LYS 18 2.484 -2.230 10.791 133 HD3 LYS 18 2HD LYS 18 0.772 -2.458 10.358 134 HE2 LYS 18 1HE LYS 18 0.767 -4.614 11.554 135 HE3 LYS 18 2HE LYS 18 2.468 -4.359 12.007 136 HZ1 LYS 18 3HZ LYS 18 0.206 -2.638 12.798 137 HZ2 LYS 18 1HZ LYS 18 0.971 -3.725 13.774 138 HZ3 LYS 18 2HZ LYS 18 1.783 -2.400 13.218 139 H ASP 19 H ASP 19 0.370 -3.398 5.980 140 HA ASP 19 HA ASP 19 -0.636 -6.037 6.351 141 HB2 ASP 19 1HB ASP 19 -1.420 -3.901 4.278 142 HB3 ASP 19 2HB ASP 19 -2.124 -5.513 4.554 143 H LEU 20 H LEU 20 1.030 -4.589 3.559 144 HA LEU 20 HA LEU 20 0.740 -6.830 1.822 145 HB2 LEU 20 1HB LEU 20 2.805 -4.759 2.146 146 HB3 LEU 20 2HB LEU 20 2.860 -5.812 0.714 147 HG LEU 20 HG LEU 20 0.664 -3.835 1.444 148 HD11 LEU 20 1HD1 LEU 20 1.387 -2.681 -0.663 149 HD12 LEU 20 2HD1 LEU 20 2.723 -2.783 0.509 150 HD13 LEU 20 3HD1 LEU 20 2.664 -3.900 -0.876 151 HD21 LEU 20 3HD2 LEU 20 -0.277 -5.824 0.425 152 HD22 LEU 20 1HD2 LEU 20 -0.362 -4.460 -0.716 153 HD23 LEU 20 2HD2 LEU 20 0.882 -5.718 -0.922 154 H LYS 21 H LYS 21 3.309 -6.034 4.149 155 HA LYS 21 HA LYS 21 4.942 -8.321 3.506 156 HB2 LYS 21 1HB LYS 21 4.711 -6.547 5.933 157 HB3 LYS 21 2HB LYS 21 5.866 -7.896 5.825 158 HG2 LYS 21 1HG LYS 21 6.915 -6.842 3.863 159 HG3 LYS 21 2HG LYS 21 5.758 -5.495 3.968 160 HD2 LYS 21 1HD LYS 21 6.613 -4.939 6.213 161 HD3 LYS 21 2HD LYS 21 7.778 -6.280 6.097 162 HE2 LYS 21 1HE LYS 21 8.808 -5.215 4.133 163 HE3 LYS 21 2HE LYS 21 7.647 -3.873 4.254 164 HZ1 LYS 21 3HZ LYS 21 9.646 -4.600 6.299 165 HZ2 LYS 21 1HZ LYS 21 9.754 -3.320 5.265 166 HZ3 LYS 21 2HZ LYS 21 8.569 -3.355 6.411 167 H ILE 22 H ILE 22 2.188 -7.856 5.633 168 HA ILE 22 HA ILE 22 2.435 -10.382 7.034 169 HB ILE 22 HB ILE 22 0.068 -8.558 6.441 170 HG12 ILE 22 1HG1 ILE 22 1.426 -9.177 9.046 171 HG13 ILE 22 2HG1 ILE 22 1.876 -7.820 7.987 172 HG21 ILE 22 1HG2 ILE 22 -1.210 -9.940 8.043 173 HG22 ILE 22 2HG2 ILE 22 -0.718 -10.894 6.624 174 HG23 ILE 22 3HG2 ILE 22 0.161 -11.069 8.161 175 HD11 ILE 22 3HD1 ILE 22 -0.847 -8.251 9.265 176 HD12 ILE 22 1HD1 ILE 22 0.380 -7.077 9.797 177 HD13 ILE 22 2HD1 ILE 22 -0.397 -6.894 8.206 178 H TYR 23 H TYR 23 1.247 -9.516 3.878 179 HA TYR 23 HA TYR 23 0.094 -12.253 3.564 180 HB2 TYR 23 1HB TYR 23 -0.044 -9.786 1.819 181 HB3 TYR 23 2HB TYR 23 -0.792 -11.357 1.445 182 HD1 TYR 23 2HD TYR 23 -2.367 -12.282 3.393 183 HD2 TYR 23 1HD TYR 23 -1.391 -8.173 2.814 184 HE1 TYR 23 2HE TYR 23 -4.387 -11.636 4.660 185 HE2 TYR 23 1HE TYR 23 -3.412 -7.505 4.081 186 HH TYR 23 HH TYR 23 -5.651 -9.917 5.460 187 H GLY 24 H GLY 24 3.053 -11.085 3.428 188 HA2 GLY 24 1HA GLY 24 4.938 -12.147 2.579 189 HA3 GLY 24 2HA GLY 24 3.874 -13.282 1.715 190 H ILE 25 H ILE 25 3.451 -9.834 1.357 191 HA ILE 25 HA ILE 25 3.941 -9.998 -1.530 192 HB ILE 25 HB ILE 25 3.418 -7.614 0.305 193 HG12 ILE 25 1HG1 ILE 25 1.598 -9.198 0.248 194 HG13 ILE 25 2HG1 ILE 25 1.184 -7.648 -0.522 195 HG21 ILE 25 1HG2 ILE 25 2.922 -6.396 -1.789 196 HG22 ILE 25 2HG2 ILE 25 4.606 -6.968 -1.765 197 HG23 ILE 25 3HG2 ILE 25 3.388 -7.830 -2.733 198 HD11 ILE 25 3HD1 ILE 25 1.914 -10.216 -1.972 199 HD12 ILE 25 1HD1 ILE 25 0.276 -9.548 -1.800 200 HD13 ILE 25 2HD1 ILE 25 1.501 -8.666 -2.743 201 H GLY 26 H GLY 26 5.558 -9.386 -2.735 202 HA2 GLY 26 1HA GLY 26 8.132 -9.224 -1.358 203 HA3 GLY 26 2HA GLY 26 7.862 -9.317 -3.114 204 H GLU 27 H GLU 27 9.803 -7.663 -2.361 205 HA GLU 27 HA GLU 27 8.982 -5.024 -1.537 206 HB2 GLU 27 1HB GLU 27 11.441 -6.070 -2.939 207 HB3 GLU 27 2HB GLU 27 11.231 -4.373 -2.446 208 HG2 GLU 27 1HG GLU 27 11.081 -5.125 -0.030 209 HG3 GLU 27 2HG GLU 27 11.199 -6.779 -0.673 210 H HIS 28 H HIS 28 9.172 -6.612 -4.648 211 HA HIS 28 HA HIS 28 9.236 -4.405 -6.385 212 HB2 HIS 28 1HB HIS 28 9.278 -6.742 -7.194 213 HB3 HIS 28 2HB HIS 28 7.590 -6.959 -6.673 214 HD2 HIS 28 2HD HIS 28 5.669 -6.219 -8.624 215 HE1 HIS 28 1HE HIS 28 8.481 -4.364 -11.214 216 H TYR 29 H TYR 29 6.505 -5.678 -4.534 217 HA TYR 29 HA TYR 29 4.720 -3.644 -5.779 218 HB2 TYR 29 1HB TYR 29 4.162 -5.906 -3.849 219 HB3 TYR 29 2HB TYR 29 2.946 -4.813 -4.554 220 HD1 TYR 29 2HD TYR 29 2.541 -4.882 -7.037 221 HD2 TYR 29 1HD TYR 29 4.946 -7.798 -5.064 222 HE1 TYR 29 2HE TYR 29 2.314 -6.376 -8.992 223 HE2 TYR 29 1HE TYR 29 4.728 -9.309 -7.015 224 HH TYR 29 HH TYR 29 2.851 -8.392 -9.907 225 H ILE 30 H ILE 30 6.280 -4.443 -2.734 226 HA ILE 30 HA ILE 30 4.922 -2.518 -1.084 227 HB ILE 30 HB ILE 30 7.757 -3.639 -1.001 228 HG12 ILE 30 1HG1 ILE 30 5.412 -4.174 0.798 229 HG13 ILE 30 2HG1 ILE 30 5.820 -5.153 -0.631 230 HG21 ILE 30 1HG2 ILE 30 7.892 -2.687 1.275 231 HG22 ILE 30 2HG2 ILE 30 7.698 -1.406 0.057 232 HG23 ILE 30 3HG2 ILE 30 6.307 -1.911 1.046 233 HD11 ILE 30 3HD1 ILE 30 7.602 -4.709 1.790 234 HD12 ILE 30 1HD1 ILE 30 6.680 -6.188 1.433 235 HD13 ILE 30 2HD1 ILE 30 8.011 -5.689 0.362 236 H LYS 31 H LYS 31 7.524 -2.168 -3.416 237 HA LYS 31 HA LYS 31 8.227 0.524 -2.634 238 HB2 LYS 31 1HB LYS 31 8.553 -1.048 -5.188 239 HB3 LYS 31 2HB LYS 31 9.145 0.619 -4.983 240 HG2 LYS 31 1HG LYS 31 10.615 -0.100 -3.167 241 HG3 LYS 31 2HG LYS 31 9.987 -1.761 -3.293 242 HD2 LYS 31 1HD LYS 31 10.846 -1.907 -5.600 243 HD3 LYS 31 2HD LYS 31 11.485 -0.252 -5.462 244 HE2 LYS 31 1HE LYS 31 12.937 -0.963 -3.613 245 HE3 LYS 31 2HE LYS 31 12.294 -2.615 -3.738 246 HZ1 LYS 31 3HZ LYS 31 13.796 -1.196 -5.844 247 HZ2 LYS 31 1HZ LYS 31 14.396 -2.391 -4.876 248 HZ3 LYS 31 2HZ LYS 31 13.199 -2.730 -5.961 249 H LEU 32 H LEU 32 5.699 -0.823 -4.635 250 HA LEU 32 HA LEU 32 5.025 1.563 -6.073 251 HB2 LEU 32 1HB LEU 32 3.462 -0.734 -5.096 252 HB3 LEU 32 2HB LEU 32 2.723 0.399 -6.252 253 HG LEU 32 HG LEU 32 5.152 -1.363 -6.760 254 HD11 LEU 32 1HD1 LEU 32 3.642 -2.531 -8.388 255 HD12 LEU 32 2HD1 LEU 32 3.001 -2.624 -6.730 256 HD13 LEU 32 3HD1 LEU 32 2.307 -1.467 -7.890 257 HD21 LEU 32 3HD2 LEU 32 5.324 0.753 -7.929 258 HD22 LEU 32 1HD2 LEU 32 4.994 -0.555 -9.089 259 HD23 LEU 32 2HD2 LEU 32 3.688 0.551 -8.598 260 H ILE 33 H ILE 33 3.978 0.336 -2.911 261 HA ILE 33 HA ILE 33 2.186 2.545 -2.353 262 HB ILE 33 HB ILE 33 3.747 0.690 -0.498 263 HG12 ILE 33 1HG1 ILE 33 2.180 -0.467 -1.896 264 HG13 ILE 33 2HG1 ILE 33 1.668 -0.463 -0.192 265 HG21 ILE 33 1HG2 ILE 33 2.189 1.465 1.257 266 HG22 ILE 33 2HG2 ILE 33 3.159 2.813 0.622 267 HG23 ILE 33 3HG2 ILE 33 1.468 2.618 0.109 268 HD11 ILE 33 3HD1 ILE 33 0.556 1.321 -2.387 269 HD12 ILE 33 1HD1 ILE 33 -0.249 -0.107 -1.699 270 HD13 ILE 33 2HD1 ILE 33 0.046 1.325 -0.684 271 H GLU 34 H GLU 34 5.636 2.039 -1.735 272 HA GLU 34 HA GLU 34 5.985 4.469 -0.233 273 HB2 GLU 34 1HB GLU 34 7.885 2.815 -1.898 274 HB3 GLU 34 2HB GLU 34 8.377 4.210 -0.907 275 HG2 GLU 34 1HG GLU 34 7.601 2.980 1.165 276 HG3 GLU 34 2HG GLU 34 7.048 1.708 0.050 277 H LYS 35 H LYS 35 5.794 3.802 -3.657 278 HA LYS 35 HA LYS 35 6.770 6.546 -4.290 279 HB2 LYS 35 1HB LYS 35 6.048 4.181 -6.028 280 HB3 LYS 35 2HB LYS 35 6.578 5.768 -6.634 281 HG2 LYS 35 1HG LYS 35 8.733 5.473 -5.434 282 HG3 LYS 35 2HG LYS 35 8.202 3.853 -4.926 283 HD2 LYS 35 1HD LYS 35 7.992 3.195 -7.303 284 HD3 LYS 35 2HD LYS 35 8.581 4.803 -7.785 285 HE2 LYS 35 1HE LYS 35 10.688 4.379 -6.569 286 HE3 LYS 35 2HE LYS 35 10.100 2.755 -6.140 287 HZ1 LYS 35 3HZ LYS 35 10.568 3.739 -8.882 288 HZ2 LYS 35 1HZ LYS 35 11.546 2.699 -8.056 289 HZ3 LYS 35 2HZ LYS 35 10.022 2.234 -8.484 290 H ALA 36 H ALA 36 3.975 5.345 -3.251 291 HA ALA 36 HA ALA 36 2.083 6.296 -5.186 292 HB1 ALA 36 1HB ALA 36 0.463 6.189 -3.332 293 HB2 ALA 36 2HB ALA 36 1.468 4.722 -3.408 294 HB3 ALA 36 3HB ALA 36 1.800 5.966 -2.180 295 H LYS 37 H LYS 37 0.872 8.161 -5.303 296 HA LYS 37 HA LYS 37 2.436 10.536 -4.482 297 HB2 LYS 37 1HB LYS 37 0.013 10.187 -6.254 298 HB3 LYS 37 2HB LYS 37 0.827 11.737 -5.928 299 HG2 LYS 37 1HG LYS 37 2.894 10.856 -6.953 300 HG3 LYS 37 2HG LYS 37 2.060 9.323 -7.300 301 HD2 LYS 37 1HD LYS 37 0.443 10.522 -8.718 302 HD3 LYS 37 2HD LYS 37 1.275 12.057 -8.369 303 HE2 LYS 37 1HE LYS 37 3.326 11.181 -9.401 304 HE3 LYS 37 2HE LYS 37 2.498 9.646 -9.749 305 HZ1 LYS 37 3HZ LYS 37 1.747 12.283 -10.837 306 HZ2 LYS 37 1HZ LYS 37 2.530 11.091 -11.666 307 HZ3 LYS 37 2HZ LYS 37 0.978 10.859 -11.158 308 H GLN 38 H GLN 38 -0.461 8.865 -3.581 309 HA GLN 38 HA GLN 38 -0.984 10.820 -1.453 310 HB2 GLN 38 1HB GLN 38 -3.250 11.292 -2.115 311 HB3 GLN 38 2HB GLN 38 -2.112 11.842 -3.368 312 HG2 GLN 38 1HG GLN 38 -2.836 9.519 -4.667 313 HG3 GLN 38 2HG GLN 38 -3.865 9.561 -3.215 314 HE21 GLN 38 2HE2 GLN 38 -4.957 9.405 -5.756 315 HE22 GLN 38 1HE2 GLN 38 -5.768 10.891 -6.126 316 H VAL 39 H VAL 39 -2.855 10.188 -0.107 317 HA VAL 39 HA VAL 39 -2.479 7.455 0.739 318 HB VAL 39 HB VAL 39 -4.671 9.467 1.391 319 HG11 VAL 39 1HG1 VAL 39 -5.164 7.992 3.314 320 HG12 VAL 39 2HG1 VAL 39 -5.427 7.144 1.771 321 HG13 VAL 39 3HG1 VAL 39 -3.958 6.823 2.725 322 HG21 VAL 39 3HG2 VAL 39 -2.467 10.204 2.076 323 HG22 VAL 39 1HG2 VAL 39 -3.453 9.761 3.488 324 HG23 VAL 39 2HG2 VAL 39 -2.186 8.655 2.906 325 H ALA 40 H ALA 40 -4.949 8.973 -1.279 326 HA ALA 40 HA ALA 40 -6.651 6.710 -1.500 327 HB1 ALA 40 1HB ALA 40 -7.402 7.727 -3.616 328 HB2 ALA 40 2HB ALA 40 -7.277 8.938 -2.317 329 HB3 ALA 40 3HB ALA 40 -6.016 8.841 -3.569 330 H ALA 41 H ALA 41 -3.754 7.618 -3.358 331 HA ALA 41 HA ALA 41 -3.829 5.329 -5.093 332 HB1 ALA 41 1HB ALA 41 -1.465 5.868 -5.537 333 HB2 ALA 41 2HB ALA 41 -2.489 7.322 -5.601 334 HB3 ALA 41 3HB ALA 41 -1.472 7.012 -4.175 335 H VAL 42 H VAL 42 -2.406 5.903 -1.901 336 HA VAL 42 HA VAL 42 -0.975 3.416 -1.661 337 HB VAL 42 HB VAL 42 -2.328 5.168 0.430 338 HG11 VAL 42 1HG1 VAL 42 -0.976 3.914 2.076 339 HG12 VAL 42 2HG1 VAL 42 -2.116 2.839 1.232 340 HG13 VAL 42 3HG1 VAL 42 -0.394 2.841 0.781 341 HG21 VAL 42 3HG2 VAL 42 -0.514 6.269 -0.741 342 HG22 VAL 42 1HG2 VAL 42 -0.050 5.895 0.935 343 HG23 VAL 42 2HG2 VAL 42 0.564 4.894 -0.401 344 H GLU 43 H GLU 43 -4.343 4.230 -0.866 345 HA GLU 43 HA GLU 43 -4.933 1.579 0.139 346 HB2 GLU 43 1HB GLU 43 -6.675 3.823 -0.884 347 HB3 GLU 43 2HB GLU 43 -7.302 2.306 -0.195 348 HG2 GLU 43 1HG GLU 43 -6.218 2.876 2.011 349 HG3 GLU 43 2HG GLU 43 -5.520 4.280 1.170 350 H ASP 44 H ASP 44 -5.394 3.157 -3.013 351 HA ASP 44 HA ASP 44 -6.798 0.934 -4.199 352 HB2 ASP 44 1HB ASP 44 -5.227 3.244 -5.491 353 HB3 ASP 44 2HB ASP 44 -6.094 1.899 -6.273 354 H LEU 45 H LEU 45 -3.367 1.857 -4.129 355 HA LEU 45 HA LEU 45 -2.485 -0.244 -5.880 356 HB2 LEU 45 1HB LEU 45 -1.295 1.379 -3.748 357 HB3 LEU 45 2HB LEU 45 -0.231 0.213 -4.568 358 HG LEU 45 HG LEU 45 -1.719 2.499 -5.917 359 HD11 LEU 45 1HD1 LEU 45 0.558 3.519 -6.183 360 HD12 LEU 45 2HD1 LEU 45 0.140 3.309 -4.466 361 HD13 LEU 45 3HD1 LEU 45 1.254 2.168 -5.257 362 HD21 LEU 45 3HD2 LEU 45 -1.400 0.593 -7.381 363 HD22 LEU 45 1HD2 LEU 45 -0.338 1.929 -7.884 364 HD23 LEU 45 2HD2 LEU 45 0.335 0.545 -6.989 365 H LYS 46 H LYS 46 -2.642 -0.050 -2.323 366 HA LYS 46 HA LYS 46 -1.524 -2.582 -1.752 367 HB2 LYS 46 1HB LYS 46 -2.126 -0.791 -0.123 368 HB3 LYS 46 2HB LYS 46 -3.831 -1.260 -0.320 369 HG2 LYS 46 1HG LYS 46 -3.327 -3.503 0.540 370 HG3 LYS 46 2HG LYS 46 -1.612 -3.059 0.712 371 HD2 LYS 46 1HD LYS 46 -2.413 -2.746 2.873 372 HD3 LYS 46 2HD LYS 46 -2.525 -1.109 2.185 373 HE2 LYS 46 1HE LYS 46 -4.889 -1.420 1.724 374 HE3 LYS 46 2HE LYS 46 -4.805 -3.107 2.280 375 HZ1 LYS 46 3HZ LYS 46 -4.338 -0.726 3.956 376 HZ2 LYS 46 1HZ LYS 46 -5.698 -1.658 3.972 377 HZ3 LYS 46 2HZ LYS 46 -4.259 -2.291 4.472 378 H ASP 47 H ASP 47 -4.935 -1.761 -2.400 379 HA ASP 47 HA ASP 47 -5.934 -4.427 -2.099 380 HB2 ASP 47 1HB ASP 47 -7.017 -2.075 -3.765 381 HB3 ASP 47 2HB ASP 47 -7.700 -3.705 -3.539 382 H GLU 48 H GLU 48 -4.851 -2.671 -5.010 383 HA GLU 48 HA GLU 48 -5.443 -4.846 -6.807 384 HB2 GLU 48 1HB GLU 48 -3.548 -2.503 -7.015 385 HB3 GLU 48 2HB GLU 48 -3.903 -3.634 -8.343 386 HG2 GLU 48 1HG GLU 48 -5.903 -1.696 -7.035 387 HG3 GLU 48 2HG GLU 48 -5.132 -1.659 -8.637 388 H ILE 49 H ILE 49 -2.610 -4.009 -4.890 389 HA ILE 49 HA ILE 49 -0.844 -5.978 -6.074 390 HB ILE 49 HB ILE 49 -0.906 -4.644 -3.334 391 HG12 ILE 49 1HG1 ILE 49 1.050 -4.275 -5.578 392 HG13 ILE 49 2HG1 ILE 49 -0.439 -3.316 -5.414 393 HG21 ILE 49 1HG2 ILE 49 1.367 -5.562 -3.015 394 HG22 ILE 49 2HG2 ILE 49 0.165 -6.866 -3.169 395 HG23 ILE 49 3HG2 ILE 49 1.220 -6.461 -4.544 396 HD11 ILE 49 3HD1 ILE 49 1.805 -3.480 -3.371 397 HD12 ILE 49 1HD1 ILE 49 1.498 -2.119 -4.474 398 HD13 ILE 49 2HD1 ILE 49 0.315 -2.521 -3.207 399 H LEU 50 H LEU 50 -3.099 -6.121 -3.344 400 HA LEU 50 HA LEU 50 -2.353 -8.861 -2.698 401 HB2 LEU 50 1HB LEU 50 -4.642 -7.120 -2.072 402 HB3 LEU 50 2HB LEU 50 -4.515 -8.707 -1.277 403 HG LEU 50 HG LEU 50 -2.595 -6.361 -0.996 404 HD11 LEU 50 1HD1 LEU 50 -3.352 -6.386 1.396 405 HD12 LEU 50 2HD1 LEU 50 -4.717 -6.109 0.288 406 HD13 LEU 50 3HD1 LEU 50 -4.470 -7.716 1.011 407 HD21 LEU 50 3HD2 LEU 50 -1.387 -8.463 -0.982 408 HD22 LEU 50 1HD2 LEU 50 -1.410 -7.766 0.655 409 HD23 LEU 50 2HD2 LEU 50 -2.491 -9.123 0.249 410 H LYS 51 H LYS 51 -4.661 -7.354 -4.846 411 HA LYS 51 HA LYS 51 -6.143 -9.760 -5.460 412 HB2 LYS 51 1HB LYS 51 -5.569 -7.229 -7.000 413 HB3 LYS 51 2HB LYS 51 -6.590 -8.548 -7.622 414 HG2 LYS 51 1HG LYS 51 -8.145 -8.253 -5.757 415 HG3 LYS 51 2HG LYS 51 -7.110 -6.975 -5.076 416 HD2 LYS 51 1HD LYS 51 -7.434 -5.681 -7.204 417 HD3 LYS 51 2HD LYS 51 -8.612 -6.914 -7.713 418 HE2 LYS 51 1HE LYS 51 -9.988 -6.434 -5.747 419 HE3 LYS 51 2HE LYS 51 -8.802 -5.229 -5.197 420 HZ1 LYS 51 3HZ LYS 51 -10.364 -5.083 -7.696 421 HZ2 LYS 51 1HZ LYS 51 -10.653 -4.202 -6.332 422 HZ3 LYS 51 2HZ LYS 51 -9.264 -3.963 -7.187 423 H ALA 52 H ALA 52 -3.235 -8.272 -6.877 424 HA ALA 52 HA ALA 52 -2.840 -10.311 -8.852 425 HB1 ALA 52 1HB ALA 52 -0.532 -9.452 -8.960 426 HB2 ALA 52 2HB ALA 52 -1.723 -8.130 -8.969 427 HB3 ALA 52 3HB ALA 52 -0.818 -8.505 -7.483 428 H HIS 53 H HIS 53 -1.882 -10.028 -5.463 429 HA HIS 53 HA HIS 53 -0.239 -12.392 -5.394 430 HB2 HIS 53 1HB HIS 53 -0.192 -10.721 -3.573 431 HB3 HIS 53 2HB HIS 53 -1.889 -11.090 -3.181 432 HD2 HIS 53 2HD HIS 53 -2.174 -13.107 -1.233 433 HE1 HIS 53 1HE HIS 53 1.810 -14.545 -1.569 434 H ASP 54 H ASP 54 -3.704 -11.878 -4.741 435 HA ASP 54 HA ASP 54 -4.141 -14.711 -4.173 436 HB2 ASP 54 1HB ASP 54 -6.123 -12.404 -4.647 437 HB3 ASP 54 2HB ASP 54 -6.449 -14.128 -4.344 438 H ARG 55 H ARG 55 -3.867 -12.840 -7.017 439 HA ARG 55 HA ARG 55 -5.451 -14.667 -8.688 440 HB2 ARG 55 1HB ARG 55 -5.270 -12.347 -9.260 441 HB3 ARG 55 2HB ARG 55 -3.514 -12.534 -9.470 442 HG2 ARG 55 1HG ARG 55 -3.886 -14.106 -11.309 443 HG3 ARG 55 2HG ARG 55 -5.646 -13.968 -11.085 444 HD2 ARG 55 1HD ARG 55 -5.555 -11.644 -11.708 445 HD3 ARG 55 2HD ARG 55 -3.789 -11.753 -11.897 446 HE ARG 55 HE ARG 55 -5.163 -13.586 -13.749 447 HH11 ARG 55 1HH1 ARG 55 -4.300 -10.238 -13.300 448 HH12 ARG 55 2HH1 ARG 55 -4.290 -10.001 -15.037 449 HH21 ARG 55 1HH2 ARG 55 -5.163 -13.329 -15.740 450 HH22 ARG 55 2HH2 ARG 55 -4.784 -11.763 -16.430 451 H PHE 56 H PHE 56 -4.869 -16.637 -9.090 452 HA PHE 56 HA PHE 56 -1.954 -17.167 -9.592 453 HB2 PHE 56 1HB PHE 56 -4.057 -19.011 -8.375 454 HB3 PHE 56 2HB PHE 56 -2.398 -19.487 -8.799 455 HD1 PHE 56 2HD PHE 56 -0.489 -18.525 -7.575 456 HD2 PHE 56 1HD PHE 56 -4.540 -17.863 -6.387 457 HE1 PHE 56 2HE PHE 56 0.284 -17.839 -5.330 458 HE2 PHE 56 1HE PHE 56 -3.769 -17.173 -4.141 459 HZ PHE 56 HZ PHE 56 -1.357 -17.162 -3.613 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 7.713 7.880 -2.030 2 H2 ASN 1 2H ASN 1 7.913 9.000 -1.052 3 H3 ASN 1 H ASN 1 6.611 8.895 -1.847 4 H3 ASN 1 3H ASN 1 6.626 8.891 -1.815 5 HA ASN 1 HA ASN 1 8.866 10.426 -2.635 6 HB2 ASN 1 1HB ASN 1 8.423 8.128 -4.686 7 HB3 ASN 1 2HB ASN 1 9.199 9.730 -4.678 8 HD21 ASN 1 2HD2 ASN 1 10.244 6.969 -5.051 9 HD22 ASN 1 1HD2 ASN 1 11.535 6.818 -3.907 10 H GLY 2 H GLY 2 8.182 12.193 -3.556 11 HA2 GLY 2 1HA GLY 2 6.804 13.650 -4.732 12 HA3 GLY 2 2HA GLY 2 5.933 12.246 -5.393 13 H ASP 3 H ASP 3 6.376 12.617 -1.945 14 HA ASP 3 HA ASP 3 3.632 12.197 -1.364 15 HB2 ASP 3 1HB ASP 3 5.796 13.508 0.391 16 HB3 ASP 3 2HB ASP 3 4.117 13.064 0.788 17 H LYS 4 H LYS 4 1.887 13.372 -1.313 18 HA LYS 4 HA LYS 4 2.077 16.242 -1.993 19 HB2 LYS 4 1HB LYS 4 -0.271 14.400 -1.519 20 HB3 LYS 4 2HB LYS 4 -0.393 16.111 -1.994 21 HG2 LYS 4 1HG LYS 4 0.925 13.911 -3.624 22 HG3 LYS 4 2HG LYS 4 -0.699 14.580 -3.914 23 HD2 LYS 4 1HD LYS 4 0.308 16.819 -4.256 24 HD3 LYS 4 2HD LYS 4 1.924 16.107 -4.031 25 HE2 LYS 4 1HE LYS 4 1.589 14.668 -5.973 26 HE3 LYS 4 2HE LYS 4 -0.060 15.300 -6.180 27 HZ1 LYS 4 3HZ LYS 4 2.422 16.880 -6.406 28 HZ2 LYS 4 1HZ LYS 4 1.493 16.365 -7.669 29 HZ3 LYS 4 2HZ LYS 4 0.892 17.467 -6.598 30 H GLY 5 H GLY 5 2.182 14.442 0.820 31 HA2 GLY 5 1HA GLY 5 2.468 15.281 2.971 32 HA3 GLY 5 2HA GLY 5 2.132 16.914 2.350 33 H TYR 6 H TYR 6 0.065 14.044 2.043 34 HA TYR 6 HA TYR 6 -2.214 15.482 3.189 35 HB2 TYR 6 1HB TYR 6 -1.800 12.629 2.282 36 HB3 TYR 6 2HB TYR 6 -3.338 13.262 2.919 37 HD1 TYR 6 1HD TYR 6 -2.130 16.003 1.332 38 HD2 TYR 6 2HD TYR 6 -3.554 12.108 0.341 39 HE1 TYR 6 1HE TYR 6 -2.735 16.809 -0.931 40 HE2 TYR 6 2HE TYR 6 -4.165 12.896 -1.922 41 HH TYR 6 HH TYR 6 -4.138 14.641 -3.389 42 H ASN 7 H ASN 7 -3.479 14.798 4.962 43 HA ASN 7 HA ASN 7 -1.817 14.382 7.308 44 HB2 ASN 7 1HB ASN 7 -4.172 15.750 7.246 45 HB3 ASN 7 2HB ASN 7 -4.632 14.039 7.074 46 HD21 ASN 7 2HD2 ASN 7 -5.044 16.210 9.163 47 HD22 ASN 7 1HD2 ASN 7 -4.621 15.437 10.654 48 H GLY 8 H GLY 8 -0.868 12.521 7.640 49 HA2 GLY 8 1HA GLY 8 -0.897 10.319 8.501 50 HA3 GLY 8 2HA GLY 8 -2.594 10.150 7.992 51 H LEU 9 H LEU 9 -0.367 11.488 5.710 52 HA LEU 9 HA LEU 9 -0.813 9.379 3.800 53 HB2 LEU 9 1HB LEU 9 -0.415 11.537 3.169 54 HB3 LEU 9 2HB LEU 9 1.207 11.682 3.884 55 HG LEU 9 HG LEU 9 1.999 9.902 2.319 56 HD11 LEU 9 1HD1 LEU 9 0.554 9.359 0.341 57 HD12 LEU 9 2HD1 LEU 9 -0.216 8.853 1.862 58 HD13 LEU 9 3HD1 LEU 9 -0.751 10.341 1.044 59 HD21 LEU 9 3HD2 LEU 9 2.384 12.243 1.815 60 HD22 LEU 9 1HD2 LEU 9 2.070 11.341 0.312 61 HD23 LEU 9 2HD2 LEU 9 0.796 12.364 1.022 62 H ALA 10 H ALA 10 2.112 10.266 5.655 63 HA ALA 10 HA ALA 10 3.609 7.984 4.787 64 HB1 ALA 10 1HB ALA 10 5.111 8.525 6.664 65 HB2 ALA 10 2HB ALA 10 4.676 9.979 5.734 66 HB3 ALA 10 3HB ALA 10 3.899 9.659 7.304 67 H GLU 11 H GLU 11 1.476 8.533 7.563 68 HA GLU 11 HA GLU 11 1.881 6.027 8.867 69 HB2 GLU 11 1HB GLU 11 0.640 7.885 9.844 70 HB3 GLU 11 2HB GLU 11 -0.619 7.704 8.598 71 HG2 GLU 11 1HG GLU 11 -1.131 5.384 9.544 72 HG3 GLU 11 2HG GLU 11 0.165 5.738 10.709 73 H ALA 12 H ALA 12 -0.420 6.930 6.296 74 HA ALA 12 HA ALA 12 -1.573 4.312 6.097 75 HB1 ALA 12 1HB ALA 12 -2.455 5.104 3.936 76 HB2 ALA 12 2HB ALA 12 -2.690 6.314 5.221 77 HB3 ALA 12 3HB ALA 12 -1.389 6.527 4.025 78 H LYS 13 H LYS 13 1.152 5.873 4.449 79 HA LYS 13 HA LYS 13 1.590 3.838 2.488 80 HB2 LYS 13 1HB LYS 13 3.405 5.833 3.832 81 HB3 LYS 13 2HB LYS 13 3.973 4.706 2.576 82 HG2 LYS 13 1HG LYS 13 2.543 5.690 0.928 83 HG3 LYS 13 2HG LYS 13 1.682 6.647 2.158 84 HD2 LYS 13 1HD LYS 13 3.172 8.153 1.067 85 HD3 LYS 13 2HD LYS 13 3.893 7.787 2.653 86 HE2 LYS 13 1HE LYS 13 5.313 6.059 1.556 87 HE3 LYS 13 2HE LYS 13 4.650 6.560 -0.016 88 HZ1 LYS 13 3HZ LYS 13 6.181 8.282 1.826 89 HZ2 LYS 13 1HZ LYS 13 6.761 7.611 0.436 90 HZ3 LYS 13 2HZ LYS 13 5.566 8.747 0.367 91 H GLU 14 H GLU 14 2.884 4.219 5.782 92 HA GLU 14 HA GLU 14 4.579 1.867 5.580 93 HB2 GLU 14 1HB GLU 14 5.017 3.733 7.114 94 HB3 GLU 14 2HB GLU 14 3.521 3.342 7.997 95 HG2 GLU 14 1HG GLU 14 4.536 1.095 8.628 96 HG3 GLU 14 2HG GLU 14 5.936 1.612 7.661 97 H LYS 15 H LYS 15 1.384 2.492 7.023 98 HA LYS 15 HA LYS 15 1.175 -0.178 8.141 99 HB2 LYS 15 1HB LYS 15 -0.817 2.022 7.609 100 HB3 LYS 15 2HB LYS 15 -1.257 0.462 8.341 101 HG2 LYS 15 1HG LYS 15 0.295 0.902 10.206 102 HG3 LYS 15 2HG LYS 15 0.720 2.469 9.476 103 HD2 LYS 15 1HD LYS 15 -1.552 3.269 9.739 104 HD3 LYS 15 2HD LYS 15 -2.087 1.671 10.312 105 HE2 LYS 15 1HE LYS 15 -0.657 1.873 12.281 106 HE3 LYS 15 2HE LYS 15 -0.052 3.441 11.701 107 HZ1 LYS 15 3HZ LYS 15 -2.847 2.846 12.435 108 HZ2 LYS 15 1HZ LYS 15 -1.778 3.708 13.350 109 HZ3 LYS 15 2HZ LYS 15 -2.287 4.302 11.896 110 H ALA 16 H ALA 16 0.316 1.280 5.072 111 HA ALA 16 HA ALA 16 -1.390 -0.840 4.161 112 HB1 ALA 16 1HB ALA 16 -0.950 0.068 1.913 113 HB2 ALA 16 2HB ALA 16 -1.332 1.360 3.077 114 HB3 ALA 16 3HB ALA 16 0.354 1.078 2.579 115 H ILE 17 H ILE 17 2.107 -0.258 3.784 116 HA ILE 17 HA ILE 17 2.469 -2.830 2.377 117 HB ILE 17 HB ILE 17 4.857 -2.251 2.406 118 HG12 ILE 17 1HG1 ILE 17 4.060 0.108 4.092 119 HG13 ILE 17 2HG1 ILE 17 4.880 -1.360 4.675 120 HG21 ILE 17 1HG2 ILE 17 4.779 -0.113 1.168 121 HG22 ILE 17 2HG2 ILE 17 3.449 -1.187 0.674 122 HG23 ILE 17 3HG2 ILE 17 3.130 0.177 1.772 123 HD11 ILE 17 3HD1 ILE 17 5.985 0.604 2.636 124 HD12 ILE 17 1HD1 ILE 17 6.483 0.480 4.338 125 HD13 ILE 17 2HD1 ILE 17 6.804 -0.865 3.217 126 H LYS 18 H LYS 18 2.440 -1.735 5.635 127 HA LYS 18 HA LYS 18 3.957 -3.875 6.803 128 HB2 LYS 18 1HB LYS 18 3.239 -1.868 8.013 129 HB3 LYS 18 2HB LYS 18 1.545 -2.391 7.861 130 HG2 LYS 18 1HG LYS 18 2.003 -4.362 9.231 131 HG3 LYS 18 2HG LYS 18 3.721 -3.908 9.340 132 HD2 LYS 18 1HD LYS 18 3.117 -1.842 10.514 133 HD3 LYS 18 2HD LYS 18 1.392 -2.256 10.376 134 HE2 LYS 18 1HE LYS 18 1.786 -4.297 11.704 135 HE3 LYS 18 2HE LYS 18 3.501 -3.853 11.864 136 HZ1 LYS 18 3HZ LYS 18 1.220 -2.281 12.881 137 HZ2 LYS 18 1HZ LYS 18 2.232 -3.208 13.798 138 HZ3 LYS 18 2HZ LYS 18 2.811 -1.868 13.029 139 H ASP 19 H ASP 19 0.493 -3.607 6.001 140 HA ASP 19 HA ASP 19 -0.131 -6.314 6.803 141 HB2 ASP 19 1HB ASP 19 -1.578 -4.377 4.900 142 HB3 ASP 19 2HB ASP 19 -2.009 -6.050 5.331 143 H LEU 20 H LEU 20 0.896 -4.851 3.745 144 HA LEU 20 HA LEU 20 0.549 -7.159 2.107 145 HB2 LEU 20 1HB LEU 20 2.451 -4.917 2.130 146 HB3 LEU 20 2HB LEU 20 2.474 -6.028 0.741 147 HG LEU 20 HG LEU 20 0.173 -4.235 1.609 148 HD11 LEU 20 1HD1 LEU 20 0.572 -3.123 -0.604 149 HD12 LEU 20 2HD1 LEU 20 2.017 -3.041 0.430 150 HD13 LEU 20 3HD1 LEU 20 1.937 -4.226 -0.895 151 HD21 LEU 20 3HD2 LEU 20 -0.661 -6.351 0.771 152 HD22 LEU 20 1HD2 LEU 20 -0.989 -5.060 -0.408 153 HD23 LEU 20 2HD2 LEU 20 0.346 -6.203 -0.690 154 H LYS 21 H LYS 21 3.304 -6.137 4.108 155 HA LYS 21 HA LYS 21 5.031 -8.315 3.435 156 HB2 LYS 21 1HB LYS 21 4.714 -6.657 5.935 157 HB3 LYS 21 2HB LYS 21 5.977 -7.895 5.732 158 HG2 LYS 21 1HG LYS 21 6.907 -6.671 3.832 159 HG3 LYS 21 2HG LYS 21 5.614 -5.456 3.959 160 HD2 LYS 21 1HD LYS 21 6.406 -4.889 6.241 161 HD3 LYS 21 2HD LYS 21 7.734 -6.059 6.049 162 HE2 LYS 21 1HE LYS 21 8.583 -4.788 4.130 163 HE3 LYS 21 2HE LYS 21 7.249 -3.626 4.302 164 HZ1 LYS 21 3HZ LYS 21 9.351 -4.133 6.310 165 HZ2 LYS 21 1HZ LYS 21 9.269 -2.818 5.318 166 HZ3 LYS 21 2HZ LYS 21 8.113 -3.055 6.470 167 H ILE 22 H ILE 22 2.359 -8.067 5.728 168 HA ILE 22 HA ILE 22 2.798 -10.690 6.915 169 HB ILE 22 HB ILE 22 0.342 -8.892 6.731 170 HG12 ILE 22 1HG1 ILE 22 2.064 -9.565 9.098 171 HG13 ILE 22 2HG1 ILE 22 2.303 -8.141 8.061 172 HG21 ILE 22 1HG2 ILE 22 -0.666 -10.391 8.419 173 HG22 ILE 22 2HG2 ILE 22 -0.334 -11.264 6.905 174 HG23 ILE 22 3HG2 ILE 22 0.745 -11.468 8.305 175 HD11 ILE 22 3HD1 ILE 22 -0.195 -8.765 9.674 176 HD12 ILE 22 1HD1 ILE 22 1.041 -7.557 10.093 177 HD13 ILE 22 2HD1 ILE 22 0.044 -7.340 8.636 178 H TYR 23 H TYR 23 1.177 -9.564 4.030 179 HA TYR 23 HA TYR 23 -0.044 -12.231 3.602 180 HB2 TYR 23 1HB TYR 23 -0.062 -9.640 2.048 181 HB3 TYR 23 2HB TYR 23 -0.802 -11.149 1.461 182 HD1 TYR 23 2HD TYR 23 -2.472 -12.278 3.205 183 HD2 TYR 23 1HD TYR 23 -1.433 -8.142 3.185 184 HE1 TYR 23 2HE TYR 23 -4.541 -11.762 4.455 185 HE2 TYR 23 1HE TYR 23 -3.501 -7.608 4.437 186 HH TYR 23 HH TYR 23 -5.822 -10.138 5.407 187 H GLY 24 H GLY 24 2.989 -11.064 3.289 188 HA2 GLY 24 1HA GLY 24 4.767 -12.377 2.500 189 HA3 GLY 24 2HA GLY 24 3.612 -13.371 1.580 190 H ILE 25 H ILE 25 3.388 -9.923 1.303 191 HA ILE 25 HA ILE 25 4.182 -10.032 -1.540 192 HB ILE 25 HB ILE 25 3.007 -7.949 0.309 193 HG12 ILE 25 1HG1 ILE 25 1.421 -7.710 -1.548 194 HG13 ILE 25 2HG1 ILE 25 2.288 -8.998 -2.417 195 HG21 ILE 25 1HG2 ILE 25 3.312 -6.238 -1.448 196 HG22 ILE 25 2HG2 ILE 25 4.881 -6.809 -0.833 197 HG23 ILE 25 3HG2 ILE 25 4.277 -7.390 -2.403 198 HD11 ILE 25 3HD1 ILE 25 0.888 -9.292 0.265 199 HD12 ILE 25 1HD1 ILE 25 0.277 -9.878 -1.298 200 HD13 ILE 25 2HD1 ILE 25 1.757 -10.580 -0.603 201 H GLY 26 H GLY 26 5.925 -9.362 -2.504 202 HA2 GLY 26 1HA GLY 26 8.249 -8.947 -0.733 203 HA3 GLY 26 2HA GLY 26 8.283 -9.291 -2.479 204 H GLU 27 H GLU 27 9.986 -7.513 -2.180 205 HA GLU 27 HA GLU 27 9.127 -4.832 -1.523 206 HB2 GLU 27 1HB GLU 27 11.540 -5.928 -2.969 207 HB3 GLU 27 2HB GLU 27 11.301 -4.201 -2.608 208 HG2 GLU 27 1HG GLU 27 11.310 -4.751 -0.132 209 HG3 GLU 27 2HG GLU 27 11.446 -6.449 -0.642 210 H HIS 28 H HIS 28 9.128 -6.707 -4.463 211 HA HIS 28 HA HIS 28 9.173 -4.677 -6.410 212 HB2 HIS 28 1HB HIS 28 9.147 -7.114 -6.941 213 HB3 HIS 28 2HB HIS 28 7.445 -7.192 -6.428 214 HD2 HIS 28 2HD HIS 28 5.582 -6.543 -8.471 215 HE1 HIS 28 1HE HIS 28 8.522 -5.152 -11.204 216 H TYR 29 H TYR 29 6.488 -5.720 -4.357 217 HA TYR 29 HA TYR 29 4.704 -3.764 -5.734 218 HB2 TYR 29 1HB TYR 29 4.114 -5.870 -3.644 219 HB3 TYR 29 2HB TYR 29 2.920 -4.831 -4.462 220 HD1 TYR 29 2HD TYR 29 2.410 -5.181 -6.857 221 HD2 TYR 29 1HD TYR 29 5.041 -7.799 -4.757 222 HE1 TYR 29 2HE TYR 29 2.197 -6.839 -8.678 223 HE2 TYR 29 1HE TYR 29 4.839 -9.472 -6.573 224 HH TYR 29 HH TYR 29 2.814 -8.891 -9.451 225 H ILE 30 H ILE 30 6.292 -4.393 -2.667 226 HA ILE 30 HA ILE 30 4.947 -2.375 -1.118 227 HB ILE 30 HB ILE 30 7.762 -3.535 -0.972 228 HG12 ILE 30 1HG1 ILE 30 5.412 -3.912 0.859 229 HG13 ILE 30 2HG1 ILE 30 5.799 -4.985 -0.505 230 HG21 ILE 30 1HG2 ILE 30 7.926 -2.450 1.243 231 HG22 ILE 30 2HG2 ILE 30 7.754 -1.241 -0.050 232 HG23 ILE 30 3HG2 ILE 30 6.358 -1.656 0.970 233 HD11 ILE 30 3HD1 ILE 30 7.592 -4.427 1.883 234 HD12 ILE 30 1HD1 ILE 30 6.641 -5.907 1.618 235 HD13 ILE 30 2HD1 ILE 30 7.981 -5.500 0.518 236 H LYS 31 H LYS 31 7.598 -2.177 -3.423 237 HA LYS 31 HA LYS 31 8.362 0.516 -2.768 238 HB2 LYS 31 1HB LYS 31 8.600 -1.157 -5.265 239 HB3 LYS 31 2HB LYS 31 9.230 0.504 -5.146 240 HG2 LYS 31 1HG LYS 31 10.723 -0.162 -3.331 241 HG3 LYS 31 2HG LYS 31 10.058 -1.814 -3.366 242 HD2 LYS 31 1HD LYS 31 10.867 -2.090 -5.677 243 HD3 LYS 31 2HD LYS 31 11.537 -0.442 -5.637 244 HE2 LYS 31 1HE LYS 31 13.014 -1.085 -3.781 245 HE3 LYS 31 2HE LYS 31 12.345 -2.732 -3.818 246 HZ1 LYS 31 3HZ LYS 31 13.825 -1.433 -6.016 247 HZ2 LYS 31 1HZ LYS 31 14.427 -2.591 -5.007 248 HZ3 LYS 31 2HZ LYS 31 13.204 -2.961 -6.050 249 H LEU 32 H LEU 32 5.750 -0.808 -4.673 250 HA LEU 32 HA LEU 32 5.140 1.496 -6.238 251 HB2 LEU 32 1HB LEU 32 3.482 -0.606 -5.010 252 HB3 LEU 32 2HB LEU 32 2.764 0.474 -6.228 253 HG LEU 32 HG LEU 32 5.066 -1.464 -6.685 254 HD11 LEU 32 1HD1 LEU 32 3.418 -2.694 -8.121 255 HD12 LEU 32 2HD1 LEU 32 2.866 -2.607 -6.431 256 HD13 LEU 32 3HD1 LEU 32 2.162 -1.523 -7.655 257 HD21 LEU 32 3HD2 LEU 32 5.272 0.529 -8.052 258 HD22 LEU 32 1HD2 LEU 32 4.820 -0.860 -9.068 259 HD23 LEU 32 2HD2 LEU 32 3.594 0.349 -8.616 260 H ILE 33 H ILE 33 4.001 0.551 -2.998 261 HA ILE 33 HA ILE 33 2.439 3.022 -2.699 262 HB ILE 33 HB ILE 33 3.265 0.822 -0.757 263 HG12 ILE 33 1HG1 ILE 33 0.557 1.565 -1.826 264 HG13 ILE 33 2HG1 ILE 33 1.607 0.308 -2.518 265 HG21 ILE 33 1HG2 ILE 33 1.740 1.902 0.860 266 HG22 ILE 33 2HG2 ILE 33 3.088 2.981 0.433 267 HG23 ILE 33 3HG2 ILE 33 1.479 3.242 -0.280 268 HD11 ILE 33 3HD1 ILE 33 0.486 0.330 0.306 269 HD12 ILE 33 1HD1 ILE 33 -0.100 -0.675 -1.038 270 HD13 ILE 33 2HD1 ILE 33 1.537 -0.927 -0.386 271 H GLU 34 H GLU 34 5.674 1.963 -1.868 272 HA GLU 34 HA GLU 34 6.338 4.247 -0.242 273 HB2 GLU 34 1HB GLU 34 7.972 2.402 -1.981 274 HB3 GLU 34 2HB GLU 34 8.680 3.715 -1.007 275 HG2 GLU 34 1HG GLU 34 7.774 2.589 1.087 276 HG3 GLU 34 2HG GLU 34 7.082 1.387 -0.025 277 H LYS 35 H LYS 35 5.989 3.799 -3.678 278 HA LYS 35 HA LYS 35 7.136 6.515 -4.158 279 HB2 LYS 35 1HB LYS 35 6.254 4.322 -6.040 280 HB3 LYS 35 2HB LYS 35 6.857 5.920 -6.542 281 HG2 LYS 35 1HG LYS 35 9.019 5.422 -5.424 282 HG3 LYS 35 2HG LYS 35 8.411 3.799 -5.019 283 HD2 LYS 35 1HD LYS 35 8.116 3.325 -7.428 284 HD3 LYS 35 2HD LYS 35 8.771 4.934 -7.813 285 HE2 LYS 35 1HE LYS 35 10.886 4.327 -6.693 286 HE3 LYS 35 2HE LYS 35 10.230 2.708 -6.356 287 HZ1 LYS 35 3HZ LYS 35 10.675 3.855 -9.038 288 HZ2 LYS 35 1HZ LYS 35 11.622 2.715 -8.313 289 HZ3 LYS 35 2HZ LYS 35 10.066 2.353 -8.727 290 H ALA 36 H ALA 36 4.339 5.439 -3.072 291 HA ALA 36 HA ALA 36 2.477 6.682 -4.918 292 HB1 ALA 36 1HB ALA 36 0.834 6.351 -3.110 293 HB2 ALA 36 2HB ALA 36 1.776 4.873 -3.416 294 HB3 ALA 36 3HB ALA 36 2.148 5.889 -2.005 295 H LYS 37 H LYS 37 1.371 8.598 -4.761 296 HA LYS 37 HA LYS 37 2.882 10.691 -3.249 297 HB2 LYS 37 1HB LYS 37 1.032 10.884 -5.631 298 HB3 LYS 37 2HB LYS 37 1.836 12.254 -4.830 299 HG2 LYS 37 1HG LYS 37 4.039 11.276 -5.430 300 HG3 LYS 37 2HG LYS 37 3.196 9.969 -6.297 301 HD2 LYS 37 1HD LYS 37 2.127 11.664 -7.760 302 HD3 LYS 37 2HD LYS 37 3.047 12.937 -6.923 303 HE2 LYS 37 1HE LYS 37 5.138 12.011 -7.675 304 HE3 LYS 37 2HE LYS 37 4.319 10.585 -8.350 305 HZ1 LYS 37 3HZ LYS 37 3.994 13.359 -9.301 306 HZ2 LYS 37 1HZ LYS 37 4.871 12.183 -10.056 307 HZ3 LYS 37 2HZ LYS 37 3.232 12.037 -9.927 308 H GLN 38 H GLN 38 -0.286 9.264 -3.686 309 HA GLN 38 HA GLN 38 -1.353 11.193 -1.653 310 HB2 GLN 38 1HB GLN 38 -2.750 9.999 -4.057 311 HB3 GLN 38 2HB GLN 38 -3.538 10.951 -2.778 312 HG2 GLN 38 1HG GLN 38 -1.878 12.980 -3.618 313 HG3 GLN 38 2HG GLN 38 -1.539 11.638 -4.737 314 HE21 GLN 38 2HE2 GLN 38 -2.521 11.828 -6.631 315 HE22 GLN 38 1HE2 GLN 38 -4.057 12.577 -6.915 316 H VAL 39 H VAL 39 -3.028 10.453 -0.303 317 HA VAL 39 HA VAL 39 -2.685 7.776 0.715 318 HB VAL 39 HB VAL 39 -4.966 9.769 1.044 319 HG11 VAL 39 1HG1 VAL 39 -5.633 8.374 2.973 320 HG12 VAL 39 2HG1 VAL 39 -5.725 7.452 1.454 321 HG13 VAL 39 3HG1 VAL 39 -4.358 7.202 2.567 322 HG21 VAL 39 3HG2 VAL 39 -2.854 10.577 1.913 323 HG22 VAL 39 1HG2 VAL 39 -3.974 10.181 3.238 324 HG23 VAL 39 2HG2 VAL 39 -2.639 9.073 2.841 325 H ALA 40 H ALA 40 -5.012 9.136 -1.579 326 HA ALA 40 HA ALA 40 -6.582 6.777 -1.864 327 HB1 ALA 40 1HB ALA 40 -7.233 7.721 -4.047 328 HB2 ALA 40 2HB ALA 40 -7.271 8.954 -2.765 329 HB3 ALA 40 3HB ALA 40 -5.919 8.913 -3.921 330 H ALA 41 H ALA 41 -3.578 7.799 -3.454 331 HA ALA 41 HA ALA 41 -3.417 5.551 -5.230 332 HB1 ALA 41 1HB ALA 41 -1.036 6.158 -5.428 333 HB2 ALA 41 2HB ALA 41 -2.088 7.588 -5.560 334 HB3 ALA 41 3HB ALA 41 -1.206 7.267 -4.048 335 H VAL 42 H VAL 42 -2.276 6.089 -1.916 336 HA VAL 42 HA VAL 42 -0.829 3.616 -1.615 337 HB VAL 42 HB VAL 42 -2.341 5.318 0.409 338 HG11 VAL 42 1HG1 VAL 42 -1.071 4.063 2.118 339 HG12 VAL 42 2HG1 VAL 42 -2.134 2.981 1.187 340 HG13 VAL 42 3HG1 VAL 42 -0.387 3.023 0.846 341 HG21 VAL 42 3HG2 VAL 42 -0.481 6.471 -0.630 342 HG22 VAL 42 1HG2 VAL 42 -0.116 6.080 1.067 343 HG23 VAL 42 2HG2 VAL 42 0.602 5.112 -0.243 344 H GLU 43 H GLU 43 -4.251 4.384 -1.022 345 HA GLU 43 HA GLU 43 -4.828 1.713 -0.041 346 HB2 GLU 43 1HB GLU 43 -6.576 3.957 -1.058 347 HB3 GLU 43 2HB GLU 43 -7.198 2.424 -0.399 348 HG2 GLU 43 1HG GLU 43 -6.160 2.974 1.831 349 HG3 GLU 43 2HG GLU 43 -5.452 4.392 1.022 350 H ASP 44 H ASP 44 -5.211 3.332 -3.179 351 HA ASP 44 HA ASP 44 -6.594 1.155 -4.451 352 HB2 ASP 44 1HB ASP 44 -4.888 3.422 -5.644 353 HB3 ASP 44 2HB ASP 44 -5.748 2.105 -6.481 354 H LEU 45 H LEU 45 -3.140 1.983 -4.246 355 HA LEU 45 HA LEU 45 -2.240 -0.216 -5.864 356 HB2 LEU 45 1HB LEU 45 -1.097 1.419 -3.710 357 HB3 LEU 45 2HB LEU 45 -0.041 0.213 -4.480 358 HG LEU 45 HG LEU 45 -1.404 2.533 -5.902 359 HD11 LEU 45 1HD1 LEU 45 0.912 3.481 -6.085 360 HD12 LEU 45 2HD1 LEU 45 0.421 3.298 -4.385 361 HD13 LEU 45 3HD1 LEU 45 1.530 2.118 -5.124 362 HD21 LEU 45 3HD2 LEU 45 -1.089 0.606 -7.339 363 HD22 LEU 45 1HD2 LEU 45 0.034 1.906 -7.810 364 HD23 LEU 45 2HD2 LEU 45 0.629 0.509 -6.880 365 H LYS 46 H LYS 46 -2.593 0.128 -2.333 366 HA LYS 46 HA LYS 46 -1.619 -2.412 -1.584 367 HB2 LYS 46 1HB LYS 46 -2.235 -0.600 -0.037 368 HB3 LYS 46 2HB LYS 46 -3.951 -0.890 -0.408 369 HG2 LYS 46 1HG LYS 46 -3.733 -3.188 0.500 370 HG3 LYS 46 2HG LYS 46 -2.041 -2.840 0.926 371 HD2 LYS 46 1HD LYS 46 -2.842 -0.956 2.357 372 HD3 LYS 46 2HD LYS 46 -4.516 -1.448 2.004 373 HE2 LYS 46 1HE LYS 46 -4.075 -3.656 2.990 374 HE3 LYS 46 2HE LYS 46 -2.403 -3.165 3.344 375 HZ1 LYS 46 3HZ LYS 46 -4.830 -1.915 4.462 376 HZ2 LYS 46 1HZ LYS 46 -3.821 -2.942 5.268 377 HZ3 LYS 46 2HZ LYS 46 -3.279 -1.459 4.790 378 H ASP 47 H ASP 47 -4.919 -1.516 -2.587 379 HA ASP 47 HA ASP 47 -6.012 -4.153 -2.193 380 HB2 ASP 47 1HB ASP 47 -6.982 -1.825 -3.959 381 HB3 ASP 47 2HB ASP 47 -7.711 -3.431 -3.707 382 H GLU 48 H GLU 48 -4.753 -2.506 -5.094 383 HA GLU 48 HA GLU 48 -5.364 -4.691 -6.873 384 HB2 GLU 48 1HB GLU 48 -3.374 -2.425 -7.042 385 HB3 GLU 48 2HB GLU 48 -3.701 -3.574 -8.362 386 HG2 GLU 48 1HG GLU 48 -5.700 -1.544 -7.195 387 HG3 GLU 48 2HG GLU 48 -4.847 -1.564 -8.755 388 H ILE 49 H ILE 49 -2.583 -3.939 -4.850 389 HA ILE 49 HA ILE 49 -0.847 -5.991 -5.933 390 HB ILE 49 HB ILE 49 -0.970 -4.628 -3.207 391 HG12 ILE 49 1HG1 ILE 49 1.066 -4.328 -5.391 392 HG13 ILE 49 2HG1 ILE 49 -0.392 -3.317 -5.264 393 HG21 ILE 49 1HG2 ILE 49 1.262 -5.612 -2.803 394 HG22 ILE 49 2HG2 ILE 49 0.029 -6.880 -2.995 395 HG23 ILE 49 3HG2 ILE 49 1.142 -6.512 -4.333 396 HD11 ILE 49 3HD1 ILE 49 1.790 -3.564 -3.164 397 HD12 ILE 49 1HD1 ILE 49 1.561 -2.191 -4.271 398 HD13 ILE 49 2HD1 ILE 49 0.333 -2.553 -3.036 399 H LEU 50 H LEU 50 -3.162 -6.004 -3.241 400 HA LEU 50 HA LEU 50 -2.639 -8.758 -2.547 401 HB2 LEU 50 1HB LEU 50 -4.888 -6.899 -2.187 402 HB3 LEU 50 2HB LEU 50 -4.978 -8.498 -1.411 403 HG LEU 50 HG LEU 50 -2.898 -6.344 -0.861 404 HD11 LEU 50 1HD1 LEU 50 -3.990 -6.227 1.395 405 HD12 LEU 50 2HD1 LEU 50 -5.139 -5.821 0.098 406 HD13 LEU 50 3HD1 LEU 50 -5.189 -7.428 0.860 407 HD21 LEU 50 3HD2 LEU 50 -1.959 -8.571 -0.658 408 HD22 LEU 50 1HD2 LEU 50 -2.135 -7.837 0.954 409 HD23 LEU 50 2HD2 LEU 50 -3.297 -9.071 0.404 410 H LYS 51 H LYS 51 -4.800 -7.198 -4.844 411 HA LYS 51 HA LYS 51 -6.319 -9.543 -5.529 412 HB2 LYS 51 1HB LYS 51 -5.569 -7.056 -7.062 413 HB3 LYS 51 2HB LYS 51 -6.621 -8.333 -7.717 414 HG2 LYS 51 1HG LYS 51 -8.234 -7.954 -5.913 415 HG3 LYS 51 2HG LYS 51 -7.173 -6.710 -5.210 416 HD2 LYS 51 1HD LYS 51 -7.361 -5.431 -7.361 417 HD3 LYS 51 2HD LYS 51 -8.564 -6.624 -7.907 418 HE2 LYS 51 1HE LYS 51 -10.000 -6.069 -6.003 419 HE3 LYS 51 2HE LYS 51 -8.793 -4.899 -5.422 420 HZ1 LYS 51 3HZ LYS 51 -10.246 -4.732 -7.984 421 HZ2 LYS 51 1HZ LYS 51 -10.558 -3.823 -6.644 422 HZ3 LYS 51 2HZ LYS 51 -9.126 -3.648 -7.446 423 H ALA 52 H ALA 52 -3.175 -8.335 -6.584 424 HA ALA 52 HA ALA 52 -2.878 -10.150 -8.783 425 HB1 ALA 52 1HB ALA 52 -0.480 -9.604 -8.624 426 HB2 ALA 52 2HB ALA 52 -1.490 -8.141 -8.534 427 HB3 ALA 52 3HB ALA 52 -0.765 -8.816 -7.055 428 H HIS 53 H HIS 53 -2.478 -10.507 -5.337 429 HA HIS 53 HA HIS 53 -1.270 -13.214 -5.767 430 HB2 HIS 53 1HB HIS 53 -1.361 -11.452 -3.275 431 HB3 HIS 53 2HB HIS 53 -0.654 -13.083 -3.355 432 HD2 HIS 53 2HD HIS 53 0.433 -9.377 -3.984 433 HE1 HIS 53 1HE HIS 53 3.415 -11.981 -5.526 434 H ASP 54 H ASP 54 -4.216 -11.945 -5.605 435 HA ASP 54 HA ASP 54 -6.298 -12.786 -4.993 436 HB2 ASP 54 1HB ASP 54 -4.816 -15.485 -5.003 437 HB3 ASP 54 2HB ASP 54 -6.552 -15.096 -4.935 438 H ARG 55 H ARG 55 -4.721 -11.734 -2.897 439 HA ARG 55 HA ARG 55 -5.267 -13.466 -0.570 440 HB2 ARG 55 1HB ARG 55 -4.223 -10.680 -0.775 441 HB3 ARG 55 2HB ARG 55 -4.532 -11.551 0.745 442 HG2 ARG 55 1HG ARG 55 -2.638 -12.515 -1.417 443 HG3 ARG 55 2HG ARG 55 -2.133 -11.560 -0.001 444 HD2 ARG 55 1HD ARG 55 -3.251 -13.430 1.350 445 HD3 ARG 55 2HD ARG 55 -3.124 -14.364 -0.158 446 HE ARG 55 HE ARG 55 -0.499 -13.307 0.699 447 HH11 ARG 55 1HH1 ARG 55 -2.776 -15.899 1.204 448 HH12 ARG 55 2HH1 ARG 55 -1.471 -16.954 1.711 449 HH21 ARG 55 1HH2 ARG 55 1.004 -14.500 1.286 450 HH22 ARG 55 2HH2 ARG 55 0.685 -16.157 1.758 451 H PHE 56 H PHE 56 -7.063 -13.605 0.494 452 HA PHE 56 HA PHE 56 -9.000 -11.318 0.317 453 HB2 PHE 56 1HB PHE 56 -9.636 -14.301 0.260 454 HB3 PHE 56 2HB PHE 56 -10.833 -12.988 0.332 455 HD1 PHE 56 2HD PHE 56 -11.108 -11.464 -1.582 456 HD2 PHE 56 1HD PHE 56 -8.634 -14.942 -1.762 457 HE1 PHE 56 2HE PHE 56 -11.162 -11.371 -4.052 458 HE2 PHE 56 1HE PHE 56 -8.684 -14.852 -4.233 459 HZ PHE 56 HZ PHE 56 -9.948 -13.065 -5.378 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 3.715 0.243 16.735 2 H2 ASN 1 2H ASN 1 2.580 1.178 17.030 3 H3 ASN 1 H ASN 1 2.298 -0.251 16.566 4 H3 ASN 1 3H ASN 1 2.298 -0.229 16.593 5 HA ASN 1 HA ASN 1 2.479 2.000 14.848 6 HB2 ASN 1 1HB ASN 1 4.813 0.038 14.224 7 HB3 ASN 1 2HB ASN 1 3.915 1.302 13.347 8 HD21 ASN 1 2HD2 ASN 1 6.763 0.977 14.301 9 HD22 ASN 1 1HD2 ASN 1 7.107 2.461 15.127 10 H GLY 2 H GLY 2 1.534 1.693 12.870 11 HA2 GLY 2 1HA GLY 2 0.568 0.429 11.122 12 HA3 GLY 2 2HA GLY 2 0.807 -1.057 12.072 13 H ASP 3 H ASP 3 -0.601 1.778 13.545 14 HA ASP 3 HA ASP 3 -3.119 0.321 14.015 15 HB2 ASP 3 1HB ASP 3 -2.181 3.110 14.919 16 HB3 ASP 3 2HB ASP 3 -3.756 2.313 15.155 17 H LYS 4 H LYS 4 -5.193 1.100 13.541 18 HA LYS 4 HA LYS 4 -5.346 2.420 10.902 19 HB2 LYS 4 1HB LYS 4 -7.426 1.264 12.763 20 HB3 LYS 4 2HB LYS 4 -7.787 2.022 11.194 21 HG2 LYS 4 1HG LYS 4 -6.435 0.306 10.054 22 HG3 LYS 4 2HG LYS 4 -6.081 -0.455 11.623 23 HD2 LYS 4 1HD LYS 4 -8.464 -0.906 11.964 24 HD3 LYS 4 2HD LYS 4 -8.851 -0.097 10.428 25 HE2 LYS 4 1HE LYS 4 -7.517 -1.769 9.213 26 HE3 LYS 4 2HE LYS 4 -7.137 -2.580 10.749 27 HZ1 LYS 4 3HZ LYS 4 -9.835 -2.262 9.600 28 HZ2 LYS 4 1HZ LYS 4 -8.952 -3.655 9.600 29 HZ3 LYS 4 2HZ LYS 4 -9.484 -3.015 11.024 30 H GLY 5 H GLY 5 -6.701 4.204 10.447 31 HA2 GLY 5 1HA GLY 5 -7.794 6.233 11.093 32 HA3 GLY 5 2HA GLY 5 -7.148 6.043 12.739 33 H TYR 6 H TYR 6 -4.909 5.380 10.235 34 HA TYR 6 HA TYR 6 -3.214 7.611 10.995 35 HB2 TYR 6 1HB TYR 6 -3.120 5.473 8.882 36 HB3 TYR 6 2HB TYR 6 -1.951 6.816 8.892 37 HD1 TYR 6 1HD TYR 6 -2.388 6.658 12.176 38 HD2 TYR 6 2HD TYR 6 -0.939 4.086 9.098 39 HE1 TYR 6 1HE TYR 6 -1.013 5.448 13.845 40 HE2 TYR 6 2HE TYR 6 0.439 2.869 10.750 41 HH TYR 6 HH TYR 6 0.768 3.945 14.092 42 H ASN 7 H ASN 7 -3.313 9.613 10.396 43 HA ASN 7 HA ASN 7 -5.063 10.316 8.095 44 HB2 ASN 7 1HB ASN 7 -3.916 12.287 10.211 45 HB3 ASN 7 2HB ASN 7 -4.901 12.383 8.731 46 HD21 ASN 7 2HD2 ASN 7 -5.350 12.927 11.687 47 HD22 ASN 7 1HD2 ASN 7 -6.839 12.115 12.038 48 H GLY 8 H GLY 8 -1.705 10.329 9.054 49 HA2 GLY 8 1HA GLY 8 -0.880 12.252 7.033 50 HA3 GLY 8 2HA GLY 8 0.180 11.225 8.028 51 H LEU 9 H LEU 9 0.571 11.778 5.265 52 HA LEU 9 HA LEU 9 -0.315 9.533 3.656 53 HB2 LEU 9 1HB LEU 9 0.229 11.500 2.680 54 HB3 LEU 9 2HB LEU 9 1.892 11.623 3.298 55 HG LEU 9 HG LEU 9 2.474 9.577 1.983 56 HD11 LEU 9 1HD1 LEU 9 0.896 8.871 0.165 57 HD12 LEU 9 2HD1 LEU 9 0.169 8.653 1.774 58 HD13 LEU 9 3HD1 LEU 9 -0.298 10.045 0.769 59 HD21 LEU 9 3HD2 LEU 9 3.001 11.783 1.126 60 HD22 LEU 9 1HD2 LEU 9 2.547 10.704 -0.215 61 HD23 LEU 9 2HD2 LEU 9 1.386 11.914 0.387 62 H ALA 10 H ALA 10 2.870 10.318 5.085 63 HA ALA 10 HA ALA 10 4.049 7.798 4.499 64 HB1 ALA 10 1HB ALA 10 5.685 8.382 6.246 65 HB2 ALA 10 2HB ALA 10 5.359 9.761 5.169 66 HB3 ALA 10 3HB ALA 10 4.629 9.706 6.790 67 H GLU 11 H GLU 11 2.046 8.866 7.207 68 HA GLU 11 HA GLU 11 2.274 6.493 8.797 69 HB2 GLU 11 1HB GLU 11 0.008 8.453 8.410 70 HB3 GLU 11 2HB GLU 11 0.009 7.146 9.619 71 HG2 GLU 11 1HG GLU 11 1.990 8.214 10.755 72 HG3 GLU 11 2HG GLU 11 1.993 9.372 9.405 73 H ALA 12 H ALA 12 -0.080 7.356 6.253 74 HA ALA 12 HA ALA 12 -1.475 4.870 6.339 75 HB1 ALA 12 1HB ALA 12 -2.312 5.500 4.108 76 HB2 ALA 12 2HB ALA 12 -2.387 6.867 5.244 77 HB3 ALA 12 3HB ALA 12 -1.097 6.795 4.021 78 H LYS 13 H LYS 13 1.411 5.900 4.575 79 HA LYS 13 HA LYS 13 1.670 3.542 2.949 80 HB2 LYS 13 1HB LYS 13 3.677 5.521 4.028 81 HB3 LYS 13 2HB LYS 13 4.098 4.189 2.925 82 HG2 LYS 13 1HG LYS 13 2.550 5.118 1.234 83 HG3 LYS 13 2HG LYS 13 2.177 6.467 2.334 84 HD2 LYS 13 1HD LYS 13 4.517 7.182 2.287 85 HD3 LYS 13 2HD LYS 13 4.932 5.804 1.241 86 HE2 LYS 13 1HE LYS 13 3.319 6.690 -0.455 87 HE3 LYS 13 2HE LYS 13 3.100 8.125 0.570 88 HZ1 LYS 13 3HZ LYS 13 5.648 7.249 -0.628 89 HZ2 LYS 13 1HZ LYS 13 4.723 8.507 -1.157 90 HZ3 LYS 13 2HZ LYS 13 5.446 8.580 0.324 91 H GLU 14 H GLU 14 2.720 4.305 6.241 92 HA GLU 14 HA GLU 14 4.364 1.986 6.613 93 HB2 GLU 14 1HB GLU 14 4.415 3.914 8.095 94 HB3 GLU 14 2HB GLU 14 2.736 3.592 8.591 95 HG2 GLU 14 1HG GLU 14 4.172 2.705 10.387 96 HG3 GLU 14 2HG GLU 14 3.478 1.399 9.399 97 H LYS 15 H LYS 15 0.959 2.546 7.558 98 HA LYS 15 HA LYS 15 0.605 -0.144 8.537 99 HB2 LYS 15 1HB LYS 15 -0.761 2.105 8.855 100 HB3 LYS 15 2HB LYS 15 -1.679 1.451 7.478 101 HG2 LYS 15 1HG LYS 15 -1.151 -0.312 9.851 102 HG3 LYS 15 2HG LYS 15 -2.407 0.943 9.974 103 HD2 LYS 15 1HD LYS 15 -3.493 0.041 7.946 104 HD3 LYS 15 2HD LYS 15 -2.248 -1.228 7.854 105 HE2 LYS 15 1HE LYS 15 -4.115 -0.808 10.207 106 HE3 LYS 15 2HE LYS 15 -4.393 -1.979 8.898 107 HZ1 LYS 15 3HZ LYS 15 -2.077 -1.970 10.726 108 HZ2 LYS 15 1HZ LYS 15 -3.358 -3.007 10.805 109 HZ3 LYS 15 2HZ LYS 15 -2.336 -3.057 9.511 110 H ALA 16 H ALA 16 -0.145 1.407 5.428 111 HA ALA 16 HA ALA 16 -1.537 -0.802 4.304 112 HB1 ALA 16 1HB ALA 16 -1.035 0.244 2.129 113 HB2 ALA 16 2HB ALA 16 -1.586 1.446 3.321 114 HB3 ALA 16 3HB ALA 16 0.143 1.317 2.920 115 H ILE 17 H ILE 17 1.920 0.062 4.169 116 HA ILE 17 HA ILE 17 2.635 -2.274 2.574 117 HB ILE 17 HB ILE 17 4.263 -0.327 4.264 118 HG12 ILE 17 1HG1 ILE 17 4.184 -0.711 1.285 119 HG13 ILE 17 2HG1 ILE 17 3.182 0.462 2.171 120 HG21 ILE 17 1HG2 ILE 17 6.262 -1.368 3.249 121 HG22 ILE 17 2HG2 ILE 17 5.361 -2.543 4.237 122 HG23 ILE 17 3HG2 ILE 17 5.231 -2.586 2.463 123 HD11 ILE 17 3HD1 ILE 17 6.219 0.404 2.115 124 HD12 ILE 17 1HD1 ILE 17 5.182 1.540 1.221 125 HD13 ILE 17 2HD1 ILE 17 5.216 1.576 3.000 126 H LYS 18 H LYS 18 2.642 -1.559 6.037 127 HA LYS 18 HA LYS 18 3.975 -3.926 6.884 128 HB2 LYS 18 1HB LYS 18 3.477 -2.014 8.330 129 HB3 LYS 18 2HB LYS 18 1.742 -2.396 8.229 130 HG2 LYS 18 1HG LYS 18 2.053 -4.458 9.428 131 HG3 LYS 18 2HG LYS 18 3.824 -4.293 9.355 132 HD2 LYS 18 1HD LYS 18 3.707 -2.284 10.759 133 HD3 LYS 18 2HD LYS 18 1.934 -2.412 10.810 134 HE2 LYS 18 1HE LYS 18 2.032 -4.466 12.029 135 HE3 LYS 18 2HE LYS 18 3.787 -4.603 11.775 136 HZ1 LYS 18 3HZ LYS 18 2.446 -2.523 13.381 137 HZ2 LYS 18 1HZ LYS 18 3.268 -3.820 13.984 138 HZ3 LYS 18 2HZ LYS 18 4.073 -2.650 13.144 139 H ASP 19 H ASP 19 0.512 -3.343 6.287 140 HA ASP 19 HA ASP 19 -0.375 -5.973 6.978 141 HB2 ASP 19 1HB ASP 19 -1.551 -3.932 4.996 142 HB3 ASP 19 2HB ASP 19 -2.165 -5.541 5.446 143 H LEU 20 H LEU 20 0.804 -4.638 3.903 144 HA LEU 20 HA LEU 20 0.315 -7.033 2.380 145 HB2 LEU 20 1HB LEU 20 2.165 -4.758 2.154 146 HB3 LEU 20 2HB LEU 20 2.110 -5.941 0.826 147 HG LEU 20 HG LEU 20 -0.175 -4.166 1.768 148 HD11 LEU 20 1HD1 LEU 20 0.066 -3.108 -0.494 149 HD12 LEU 20 2HD1 LEU 20 1.563 -2.953 0.456 150 HD13 LEU 20 3HD1 LEU 20 1.447 -4.178 -0.829 151 HD21 LEU 20 3HD2 LEU 20 -0.988 -6.330 1.036 152 HD22 LEU 20 1HD2 LEU 20 -1.421 -5.084 -0.158 153 HD23 LEU 20 2HD2 LEU 20 -0.068 -6.194 -0.481 154 H LYS 21 H LYS 21 3.067 -5.917 4.296 155 HA LYS 21 HA LYS 21 4.839 -8.069 3.577 156 HB2 LYS 21 1HB LYS 21 4.600 -6.298 6.005 157 HB3 LYS 21 2HB LYS 21 5.856 -7.548 5.838 158 HG2 LYS 21 1HG LYS 21 6.667 -6.427 3.782 159 HG3 LYS 21 2HG LYS 21 5.444 -5.155 4.013 160 HD2 LYS 21 1HD LYS 21 6.455 -4.503 6.123 161 HD3 LYS 21 2HD LYS 21 7.611 -5.853 6.023 162 HE2 LYS 21 1HE LYS 21 8.594 -4.883 4.002 163 HE3 LYS 21 2HE LYS 21 7.418 -3.550 4.057 164 HZ1 LYS 21 3HZ LYS 21 9.460 -4.119 6.109 165 HZ2 LYS 21 1HZ LYS 21 9.534 -2.907 4.993 166 HZ3 LYS 21 2HZ LYS 21 8.368 -2.883 6.160 167 H ILE 22 H ILE 22 2.278 -7.773 5.994 168 HA ILE 22 HA ILE 22 2.752 -10.367 7.212 169 HB ILE 22 HB ILE 22 0.263 -8.614 7.011 170 HG12 ILE 22 1HG1 ILE 22 2.018 -9.193 9.378 171 HG13 ILE 22 2HG1 ILE 22 2.234 -7.798 8.296 172 HG21 ILE 22 1HG2 ILE 22 -0.696 -10.084 8.751 173 HG22 ILE 22 2HG2 ILE 22 -0.366 -10.992 7.258 174 HG23 ILE 22 3HG2 ILE 22 0.732 -11.139 8.649 175 HD11 ILE 22 3HD1 ILE 22 -0.245 -8.400 9.948 176 HD12 ILE 22 1HD1 ILE 22 0.980 -7.167 10.321 177 HD13 ILE 22 2HD1 ILE 22 -0.029 -7.006 8.865 178 H TYR 23 H TYR 23 0.820 -9.304 4.453 179 HA TYR 23 HA TYR 23 -0.404 -11.898 4.039 180 HB2 TYR 23 1HB TYR 23 0.003 -9.461 2.311 181 HB3 TYR 23 2HB TYR 23 -0.769 -10.947 1.707 182 HD1 TYR 23 2HD TYR 23 -2.677 -11.857 3.414 183 HD2 TYR 23 1HD TYR 23 -1.445 -7.793 3.019 184 HE1 TYR 23 2HE TYR 23 -4.846 -11.120 4.342 185 HE2 TYR 23 1HE TYR 23 -3.614 -7.037 3.948 186 HH TYR 23 HH TYR 23 -6.147 -9.347 4.936 187 H GLY 24 H GLY 24 2.619 -10.429 3.036 188 HA2 GLY 24 1HA GLY 24 4.473 -12.017 2.715 189 HA3 GLY 24 2HA GLY 24 3.341 -13.075 1.841 190 H ILE 25 H ILE 25 3.249 -9.609 1.408 191 HA ILE 25 HA ILE 25 3.931 -9.902 -1.451 192 HB ILE 25 HB ILE 25 3.013 -7.620 0.325 193 HG12 ILE 25 1HG1 ILE 25 1.350 -7.459 -1.596 194 HG13 ILE 25 2HG1 ILE 25 1.956 -9.060 -2.076 195 HG21 ILE 25 1HG2 ILE 25 3.235 -6.105 -1.617 196 HG22 ILE 25 2HG2 ILE 25 4.822 -6.722 -1.101 197 HG23 ILE 25 3HG2 ILE 25 4.028 -7.404 -2.540 198 HD11 ILE 25 3HD1 ILE 25 0.716 -8.361 0.608 199 HD12 ILE 25 1HD1 ILE 25 -0.082 -9.255 -0.706 200 HD13 ILE 25 2HD1 ILE 25 1.323 -9.963 0.127 201 H GLY 26 H GLY 26 5.674 -9.395 -2.503 202 HA2 GLY 26 1HA GLY 26 8.097 -9.048 -0.886 203 HA3 GLY 26 2HA GLY 26 8.011 -9.326 -2.641 204 H GLU 27 H GLU 27 9.830 -7.562 -1.994 205 HA GLU 27 HA GLU 27 8.917 -4.882 -1.439 206 HB2 GLU 27 1HB GLU 27 11.465 -5.986 -2.623 207 HB3 GLU 27 2HB GLU 27 11.197 -4.258 -2.288 208 HG2 GLU 27 1HG GLU 27 10.935 -4.810 0.174 209 HG3 GLU 27 2HG GLU 27 11.126 -6.507 -0.321 210 H HIS 28 H HIS 28 9.192 -6.751 -4.364 211 HA HIS 28 HA HIS 28 9.417 -4.738 -6.310 212 HB2 HIS 28 1HB HIS 28 9.394 -7.152 -6.864 213 HB3 HIS 28 2HB HIS 28 7.673 -7.240 -6.420 214 HD2 HIS 28 2HD HIS 28 5.894 -6.627 -8.543 215 HE1 HIS 28 1HE HIS 28 8.924 -5.177 -11.145 216 H TYR 29 H TYR 29 6.553 -5.725 -4.482 217 HA TYR 29 HA TYR 29 4.915 -3.740 -5.978 218 HB2 TYR 29 1HB TYR 29 4.166 -5.742 -3.837 219 HB3 TYR 29 2HB TYR 29 3.043 -4.698 -4.742 220 HD1 TYR 29 2HD TYR 29 2.689 -5.093 -7.178 221 HD2 TYR 29 1HD TYR 29 5.004 -7.770 -4.801 222 HE1 TYR 29 2HE TYR 29 2.495 -6.811 -8.945 223 HE2 TYR 29 1HE TYR 29 4.821 -9.504 -6.561 224 HH TYR 29 HH TYR 29 3.995 -10.036 -8.609 225 H ILE 30 H ILE 30 6.325 -4.305 -2.809 226 HA ILE 30 HA ILE 30 4.886 -2.293 -1.359 227 HB ILE 30 HB ILE 30 7.705 -3.411 -1.054 228 HG12 ILE 30 1HG1 ILE 30 5.259 -3.798 0.646 229 HG13 ILE 30 2HG1 ILE 30 5.747 -4.884 -0.676 230 HG21 ILE 30 1HG2 ILE 30 7.744 -2.305 1.155 231 HG22 ILE 30 2HG2 ILE 30 7.626 -1.109 -0.156 232 HG23 ILE 30 3HG2 ILE 30 6.184 -1.530 0.796 233 HD11 ILE 30 3HD1 ILE 30 7.381 -4.263 1.809 234 HD12 ILE 30 1HD1 ILE 30 6.472 -5.762 1.508 235 HD13 ILE 30 2HD1 ILE 30 7.868 -5.348 0.487 236 H LYS 31 H LYS 31 7.588 -2.047 -3.580 237 HA LYS 31 HA LYS 31 8.365 0.624 -2.908 238 HB2 LYS 31 1HB LYS 31 8.486 -0.958 -5.473 239 HB3 LYS 31 2HB LYS 31 9.159 0.680 -5.301 240 HG2 LYS 31 1HG LYS 31 10.692 -0.103 -3.566 241 HG3 LYS 31 2HG LYS 31 9.989 -1.736 -3.658 242 HD2 LYS 31 1HD LYS 31 10.715 -1.911 -6.010 243 HD3 LYS 31 2HD LYS 31 11.433 -0.287 -5.903 244 HE2 LYS 31 1HE LYS 31 12.948 -1.065 -4.135 245 HE3 LYS 31 2HE LYS 31 12.227 -2.689 -4.228 246 HZ1 LYS 31 3HZ LYS 31 13.676 -1.330 -6.408 247 HZ2 LYS 31 1HZ LYS 31 14.274 -2.553 -5.475 248 HZ3 LYS 31 2HZ LYS 31 13.007 -2.836 -6.496 249 H LEU 32 H LEU 32 5.671 -0.621 -4.748 250 HA LEU 32 HA LEU 32 5.052 1.742 -6.232 251 HB2 LEU 32 1HB LEU 32 3.427 -0.420 -5.069 252 HB3 LEU 32 2HB LEU 32 2.666 0.721 -6.203 253 HG LEU 32 HG LEU 32 4.972 -1.158 -6.844 254 HD11 LEU 32 1HD1 LEU 32 3.287 -2.348 -8.272 255 HD12 LEU 32 2HD1 LEU 32 2.805 -2.356 -6.560 256 HD13 LEU 32 3HD1 LEU 32 2.032 -1.227 -7.698 257 HD21 LEU 32 3HD2 LEU 32 5.085 0.904 -8.114 258 HD22 LEU 32 1HD2 LEU 32 4.616 -0.441 -9.181 259 HD23 LEU 32 2HD2 LEU 32 3.388 0.721 -8.619 260 H ILE 33 H ILE 33 3.847 0.645 -3.056 261 HA ILE 33 HA ILE 33 2.309 3.069 -2.590 262 HB ILE 33 HB ILE 33 3.365 0.893 -0.735 263 HG12 ILE 33 1HG1 ILE 33 0.560 1.533 -1.603 264 HG13 ILE 33 2HG1 ILE 33 1.608 0.320 -2.374 265 HG21 ILE 33 1HG2 ILE 33 1.918 1.894 1.001 266 HG22 ILE 33 2HG2 ILE 33 3.187 3.032 0.491 267 HG23 ILE 33 3HG2 ILE 33 1.521 3.233 -0.101 268 HD11 ILE 33 3HD1 ILE 33 0.685 0.289 0.520 269 HD12 ILE 33 1HD1 ILE 33 0.047 -0.734 -0.787 270 HD13 ILE 33 2HD1 ILE 33 1.734 -0.924 -0.251 271 H GLU 34 H GLU 34 5.613 2.103 -1.845 272 HA GLU 34 HA GLU 34 6.249 4.323 -0.158 273 HB2 GLU 34 1HB GLU 34 7.911 2.674 -2.064 274 HB3 GLU 34 2HB GLU 34 8.585 3.928 -0.993 275 HG2 GLU 34 1HG GLU 34 7.791 2.604 1.014 276 HG3 GLU 34 2HG GLU 34 7.068 1.489 -0.168 277 H LYS 35 H LYS 35 5.996 4.042 -3.650 278 HA LYS 35 HA LYS 35 7.181 6.757 -3.979 279 HB2 LYS 35 1HB LYS 35 6.324 4.648 -5.967 280 HB3 LYS 35 2HB LYS 35 6.990 6.242 -6.391 281 HG2 LYS 35 1HG LYS 35 9.086 5.651 -5.195 282 HG3 LYS 35 2HG LYS 35 8.417 4.034 -4.870 283 HD2 LYS 35 1HD LYS 35 8.218 3.645 -7.306 284 HD3 LYS 35 2HD LYS 35 8.935 5.245 -7.608 285 HE2 LYS 35 1HE LYS 35 10.977 4.536 -6.411 286 HE3 LYS 35 2HE LYS 35 10.260 2.927 -6.164 287 HZ1 LYS 35 3HZ LYS 35 10.863 4.154 -8.779 288 HZ2 LYS 35 1HZ LYS 35 11.742 2.962 -8.054 289 HZ3 LYS 35 2HZ LYS 35 10.198 2.661 -8.552 290 H ALA 36 H ALA 36 4.296 5.701 -3.078 291 HA ALA 36 HA ALA 36 2.519 6.987 -4.939 292 HB1 ALA 36 1HB ALA 36 0.854 6.801 -3.130 293 HB2 ALA 36 2HB ALA 36 1.745 5.277 -3.357 294 HB3 ALA 36 3HB ALA 36 2.145 6.348 -1.993 295 H LYS 37 H LYS 37 1.282 8.895 -4.660 296 HA LYS 37 HA LYS 37 2.900 11.039 -3.321 297 HB2 LYS 37 1HB LYS 37 1.076 11.151 -5.728 298 HB3 LYS 37 2HB LYS 37 1.871 12.551 -4.971 299 HG2 LYS 37 1HG LYS 37 4.076 11.578 -5.512 300 HG3 LYS 37 2HG LYS 37 3.266 10.202 -6.298 301 HD2 LYS 37 1HD LYS 37 2.201 11.755 -7.897 302 HD3 LYS 37 2HD LYS 37 3.039 13.118 -7.118 303 HE2 LYS 37 1HE LYS 37 5.205 12.149 -7.707 304 HE3 LYS 37 2HE LYS 37 4.392 10.748 -8.443 305 HZ1 LYS 37 3HZ LYS 37 4.156 13.544 -9.357 306 HZ2 LYS 37 1HZ LYS 37 5.047 12.366 -10.092 307 HZ3 LYS 37 2HZ LYS 37 3.402 12.246 -10.041 308 H GLN 38 H GLN 38 0.000 9.334 -3.177 309 HA GLN 38 HA GLN 38 -1.042 11.185 -1.151 310 HB2 GLN 38 1HB GLN 38 -3.191 11.500 -2.185 311 HB3 GLN 38 2HB GLN 38 -1.906 12.161 -3.225 312 HG2 GLN 38 1HG GLN 38 -2.215 9.835 -4.659 313 HG3 GLN 38 2HG GLN 38 -3.454 9.735 -3.385 314 HE21 GLN 38 2HE2 GLN 38 -4.119 9.560 -6.070 315 HE22 GLN 38 1HE2 GLN 38 -5.004 10.975 -6.537 316 H VAL 39 H VAL 39 -2.903 10.360 -0.022 317 HA VAL 39 HA VAL 39 -2.451 7.575 0.659 318 HB VAL 39 HB VAL 39 -4.691 9.499 1.408 319 HG11 VAL 39 1HG1 VAL 39 -5.203 7.874 3.200 320 HG12 VAL 39 2HG1 VAL 39 -5.416 7.142 1.593 321 HG13 VAL 39 3HG1 VAL 39 -3.965 6.771 2.554 322 HG21 VAL 39 3HG2 VAL 39 -2.516 10.214 2.202 323 HG22 VAL 39 1HG2 VAL 39 -3.527 9.649 3.552 324 HG23 VAL 39 2HG2 VAL 39 -2.229 8.610 2.918 325 H ALA 40 H ALA 40 -4.815 9.196 -1.382 326 HA ALA 40 HA ALA 40 -6.530 6.986 -1.819 327 HB1 ALA 40 1HB ALA 40 -7.076 8.075 -3.962 328 HB2 ALA 40 2HB ALA 40 -7.028 9.249 -2.625 329 HB3 ALA 40 3HB ALA 40 -5.670 9.149 -3.771 330 H ALA 41 H ALA 41 -3.477 7.865 -3.424 331 HA ALA 41 HA ALA 41 -3.478 5.586 -5.188 332 HB1 ALA 41 1HB ALA 41 -1.094 6.123 -5.512 333 HB2 ALA 41 2HB ALA 41 -2.113 7.578 -5.630 334 HB3 ALA 41 3HB ALA 41 -1.170 7.269 -4.153 335 H VAL 42 H VAL 42 -2.216 6.161 -1.930 336 HA VAL 42 HA VAL 42 -0.788 3.679 -1.627 337 HB VAL 42 HB VAL 42 -2.233 5.432 0.402 338 HG11 VAL 42 1HG1 VAL 42 -0.952 4.181 2.107 339 HG12 VAL 42 2HG1 VAL 42 -2.053 3.105 1.216 340 HG13 VAL 42 3HG1 VAL 42 -0.313 3.108 0.839 341 HG21 VAL 42 3HG2 VAL 42 -0.372 6.532 -0.691 342 HG22 VAL 42 1HG2 VAL 42 0.020 6.162 1.005 343 HG23 VAL 42 2HG2 VAL 42 0.693 5.159 -0.303 344 H GLU 43 H GLU 43 -4.197 4.484 -1.039 345 HA GLU 43 HA GLU 43 -4.794 1.834 0.002 346 HB2 GLU 43 1HB GLU 43 -6.515 4.087 -1.034 347 HB3 GLU 43 2HB GLU 43 -7.159 2.566 -0.368 348 HG2 GLU 43 1HG GLU 43 -6.099 3.114 1.859 349 HG3 GLU 43 2HG GLU 43 -5.401 4.531 1.041 350 H ASP 44 H ASP 44 -5.234 3.422 -3.150 351 HA ASP 44 HA ASP 44 -6.576 1.208 -4.396 352 HB2 ASP 44 1HB ASP 44 -4.906 3.485 -5.619 353 HB3 ASP 44 2HB ASP 44 -5.751 2.147 -6.437 354 H LEU 45 H LEU 45 -3.133 2.102 -4.234 355 HA LEU 45 HA LEU 45 -2.218 -0.150 -5.778 356 HB2 LEU 45 1HB LEU 45 -1.064 1.591 -3.711 357 HB3 LEU 45 2HB LEU 45 -0.002 0.382 -4.471 358 HG LEU 45 HG LEU 45 -1.449 2.625 -5.931 359 HD11 LEU 45 1HD1 LEU 45 0.839 3.619 -6.199 360 HD12 LEU 45 2HD1 LEU 45 0.391 3.480 -4.483 361 HD13 LEU 45 3HD1 LEU 45 1.509 2.302 -5.209 362 HD21 LEU 45 3HD2 LEU 45 -1.121 0.660 -7.313 363 HD22 LEU 45 1HD2 LEU 45 -0.041 1.968 -7.851 364 HD23 LEU 45 2HD2 LEU 45 0.608 0.616 -6.890 365 H LYS 46 H LYS 46 -2.634 0.345 -2.279 366 HA LYS 46 HA LYS 46 -1.583 -2.106 -1.368 367 HB2 LYS 46 1HB LYS 46 -2.347 -0.266 0.067 368 HB3 LYS 46 2HB LYS 46 -4.031 -0.639 -0.372 369 HG2 LYS 46 1HG LYS 46 -3.748 -2.900 0.637 370 HG3 LYS 46 2HG LYS 46 -2.115 -2.429 1.160 371 HD2 LYS 46 1HD LYS 46 -3.142 -0.523 2.425 372 HD3 LYS 46 2HD LYS 46 -4.745 -1.174 2.009 373 HE2 LYS 46 1HE LYS 46 -4.197 -3.276 3.148 374 HE3 LYS 46 2HE LYS 46 -2.584 -2.643 3.551 375 HZ1 LYS 46 3HZ LYS 46 -5.148 -1.518 4.481 376 HZ2 LYS 46 1HZ LYS 46 -4.112 -2.422 5.391 377 HZ3 LYS 46 2HZ LYS 46 -3.652 -0.931 4.854 378 H ASP 47 H ASP 47 -4.901 -1.428 -2.492 379 HA ASP 47 HA ASP 47 -5.822 -4.125 -2.000 380 HB2 ASP 47 1HB ASP 47 -6.987 -1.894 -3.772 381 HB3 ASP 47 2HB ASP 47 -7.604 -3.537 -3.473 382 H GLU 48 H GLU 48 -4.751 -2.441 -4.955 383 HA GLU 48 HA GLU 48 -5.275 -4.691 -6.683 384 HB2 GLU 48 1HB GLU 48 -3.461 -2.292 -6.956 385 HB3 GLU 48 2HB GLU 48 -3.753 -3.484 -8.248 386 HG2 GLU 48 1HG GLU 48 -5.845 -1.580 -7.036 387 HG3 GLU 48 2HG GLU 48 -5.054 -1.571 -8.628 388 H ILE 49 H ILE 49 -2.447 -3.671 -4.830 389 HA ILE 49 HA ILE 49 -0.653 -5.684 -5.893 390 HB ILE 49 HB ILE 49 -0.731 -4.156 -3.258 391 HG12 ILE 49 1HG1 ILE 49 1.209 -3.966 -5.541 392 HG13 ILE 49 2HG1 ILE 49 -0.258 -2.971 -5.401 393 HG21 ILE 49 1HG2 ILE 49 1.541 -5.041 -2.851 394 HG22 ILE 49 2HG2 ILE 49 0.344 -6.356 -2.908 395 HG23 ILE 49 3HG2 ILE 49 1.406 -6.059 -4.303 396 HD11 ILE 49 3HD1 ILE 49 2.033 -3.052 -3.406 397 HD12 ILE 49 1HD1 ILE 49 1.723 -1.755 -4.583 398 HD13 ILE 49 2HD1 ILE 49 0.565 -2.057 -3.266 399 H LEU 50 H LEU 50 -2.848 -5.679 -3.104 400 HA LEU 50 HA LEU 50 -2.129 -8.332 -2.248 401 HB2 LEU 50 1HB LEU 50 -3.153 -6.750 -0.899 402 HB3 LEU 50 2HB LEU 50 -4.688 -6.701 -1.797 403 HG LEU 50 HG LEU 50 -5.057 -9.094 -1.239 404 HD11 LEU 50 1HD1 LEU 50 -3.637 -10.132 0.551 405 HD12 LEU 50 2HD1 LEU 50 -2.672 -9.729 -0.889 406 HD13 LEU 50 3HD1 LEU 50 -2.605 -8.683 0.550 407 HD21 LEU 50 3HD2 LEU 50 -6.086 -7.366 0.115 408 HD22 LEU 50 1HD2 LEU 50 -5.629 -8.747 1.139 409 HD23 LEU 50 2HD2 LEU 50 -4.637 -7.268 1.144 410 H LYS 51 H LYS 51 -4.500 -7.111 -4.561 411 HA LYS 51 HA LYS 51 -5.797 -9.620 -5.075 412 HB2 LYS 51 1HB LYS 51 -5.313 -7.180 -6.785 413 HB3 LYS 51 2HB LYS 51 -6.281 -8.580 -7.309 414 HG2 LYS 51 1HG LYS 51 -7.862 -8.204 -5.486 415 HG3 LYS 51 2HG LYS 51 -6.874 -6.854 -4.881 416 HD2 LYS 51 1HD LYS 51 -7.219 -5.702 -7.080 417 HD3 LYS 51 2HD LYS 51 -8.340 -7.008 -7.535 418 HE2 LYS 51 1HE LYS 51 -9.777 -6.467 -5.636 419 HE3 LYS 51 2HE LYS 51 -8.642 -5.200 -5.117 420 HZ1 LYS 51 3HZ LYS 51 -10.144 -5.219 -7.655 421 HZ2 LYS 51 1HZ LYS 51 -10.495 -4.287 -6.341 422 HZ3 LYS 51 2HZ LYS 51 -9.092 -4.044 -7.174 423 H ALA 52 H ALA 52 -2.959 -8.080 -6.581 424 HA ALA 52 HA ALA 52 -2.462 -10.229 -8.415 425 HB1 ALA 52 1HB ALA 52 -0.211 -9.243 -8.617 426 HB2 ALA 52 2HB ALA 52 -1.481 -7.998 -8.704 427 HB3 ALA 52 3HB ALA 52 -0.540 -8.209 -7.208 428 H HIS 53 H HIS 53 -1.496 -9.645 -5.068 429 HA HIS 53 HA HIS 53 0.369 -11.837 -4.897 430 HB2 HIS 53 1HB HIS 53 0.361 -10.041 -3.213 431 HB3 HIS 53 2HB HIS 53 -1.295 -10.480 -2.728 432 HD2 HIS 53 2HD HIS 53 -1.317 -12.180 -0.498 433 HE1 HIS 53 1HE HIS 53 2.624 -13.665 -1.059 434 H ASP 54 H ASP 54 -3.100 -11.576 -4.133 435 HA ASP 54 HA ASP 54 -3.311 -14.344 -3.286 436 HB2 ASP 54 1HB ASP 54 -5.464 -12.306 -4.114 437 HB3 ASP 54 2HB ASP 54 -5.656 -14.006 -3.621 438 H ARG 55 H ARG 55 -3.539 -12.689 -6.364 439 HA ARG 55 HA ARG 55 -4.832 -14.821 -7.810 440 HB2 ARG 55 1HB ARG 55 -4.744 -12.555 -8.610 441 HB3 ARG 55 2HB ARG 55 -2.987 -12.712 -8.840 442 HG2 ARG 55 1HG ARG 55 -3.348 -14.480 -10.495 443 HG3 ARG 55 2HG ARG 55 -5.107 -14.366 -10.247 444 HD2 ARG 55 1HD ARG 55 -5.091 -12.114 -11.107 445 HD3 ARG 55 2HD ARG 55 -3.328 -12.207 -11.335 446 HE ARG 55 HE ARG 55 -4.543 -14.278 -12.959 447 HH11 ARG 55 1HH1 ARG 55 -4.419 -10.796 -12.823 448 HH12 ARG 55 2HH1 ARG 55 -4.612 -10.715 -14.563 449 HH21 ARG 55 1HH2 ARG 55 -4.774 -14.202 -14.952 450 HH22 ARG 55 2HH2 ARG 55 -4.816 -12.657 -15.779 451 H PHE 56 H PHE 56 -4.153 -16.612 -8.727 452 HA PHE 56 HA PHE 56 -1.754 -17.877 -7.906 453 HB2 PHE 56 1HB PHE 56 -3.714 -19.092 -8.840 454 HB3 PHE 56 2HB PHE 56 -3.368 -18.398 -10.440 455 HD1 PHE 56 1HD PHE 56 -2.012 -20.600 -7.786 456 HD2 PHE 56 2HD PHE 56 -1.838 -19.382 -11.877 457 HE1 PHE 56 1HE PHE 56 -0.518 -22.505 -8.287 458 HE2 PHE 56 2HE PHE 56 -0.345 -21.286 -12.383 459 HZ PHE 56 HZ PHE 56 0.317 -22.847 -10.587 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -7.286 13.840 0.263 2 H2 ASN 1 2H ASN 1 -6.869 14.623 1.473 3 H3 ASN 1 H ASN 1 -6.215 14.895 0.117 4 H3 ASN 1 3H ASN 1 -6.238 14.907 0.142 5 HA ASN 1 HA ASN 1 -5.197 13.110 2.074 6 HB2 ASN 1 1HB ASN 1 -6.027 11.495 -0.453 7 HB3 ASN 1 2HB ASN 1 -4.902 11.282 0.911 8 HD21 ASN 1 2HD2 ASN 1 -7.409 9.884 -0.026 9 HD22 ASN 1 1HD2 ASN 1 -8.400 9.790 1.391 10 H GLY 2 H GLY 2 -3.053 12.592 1.793 11 HA2 GLY 2 1HA GLY 2 -0.927 12.759 0.867 12 HA3 GLY 2 2HA GLY 2 -1.671 13.185 -0.692 13 H ASP 3 H ASP 3 -2.287 14.866 2.351 14 HA ASP 3 HA ASP 3 -1.654 17.424 1.080 15 HB2 ASP 3 1HB ASP 3 -3.559 17.059 2.820 16 HB3 ASP 3 2HB ASP 3 -2.178 16.783 3.910 17 H LYS 4 H LYS 4 0.334 18.016 0.730 18 HA LYS 4 HA LYS 4 2.626 17.064 2.124 19 HB2 LYS 4 1HB LYS 4 2.653 18.139 -0.088 20 HB3 LYS 4 2HB LYS 4 2.237 19.690 0.680 21 HG2 LYS 4 1HG LYS 4 4.350 19.680 1.907 22 HG3 LYS 4 2HG LYS 4 4.761 18.089 1.223 23 HD2 LYS 4 1HD LYS 4 4.776 19.053 -1.036 24 HD3 LYS 4 2HD LYS 4 4.334 20.641 -0.368 25 HE2 LYS 4 1HE LYS 4 6.419 20.696 0.917 26 HE3 LYS 4 2HE LYS 4 6.860 19.093 0.285 27 HZ1 LYS 4 3HZ LYS 4 6.498 21.534 -1.331 28 HZ2 LYS 4 1HZ LYS 4 7.947 20.857 -0.927 29 HZ3 LYS 4 2HZ LYS 4 6.907 20.048 -1.919 30 H GLY 5 H GLY 5 3.576 17.499 3.953 31 HA2 GLY 5 1HA GLY 5 4.279 19.241 5.573 32 HA3 GLY 5 2HA GLY 5 2.634 19.911 5.459 33 H TYR 6 H TYR 6 1.566 17.075 5.337 34 HA TYR 6 HA TYR 6 1.669 16.565 8.287 35 HB2 TYR 6 1HB TYR 6 -0.354 15.825 6.166 36 HB3 TYR 6 2HB TYR 6 -0.406 15.262 7.855 37 HD1 TYR 6 2HD TYR 6 -0.951 16.822 9.668 38 HD2 TYR 6 1HD TYR 6 -0.931 18.119 5.606 39 HE1 TYR 6 2HE TYR 6 -2.172 18.867 10.326 40 HE2 TYR 6 1HE TYR 6 -2.153 20.175 6.247 41 HH TYR 6 HH TYR 6 -3.104 20.823 9.623 42 H ASN 7 H ASN 7 1.838 14.494 9.110 43 HA ASN 7 HA ASN 7 3.469 12.715 7.361 44 HB2 ASN 7 1HB ASN 7 3.211 12.571 10.460 45 HB3 ASN 7 2HB ASN 7 3.938 11.573 9.177 46 HD21 ASN 7 2HD2 ASN 7 4.955 13.271 11.503 47 HD22 ASN 7 1HD2 ASN 7 6.227 14.211 10.798 48 H GLY 8 H GLY 8 0.333 13.077 7.755 49 HA2 GLY 8 1HA GLY 8 -0.628 10.534 8.619 50 HA3 GLY 8 2HA GLY 8 -1.494 11.675 7.565 51 H LEU 9 H LEU 9 0.361 11.763 5.429 52 HA LEU 9 HA LEU 9 -0.356 9.401 3.948 53 HB2 LEU 9 1HB LEU 9 -0.032 11.413 2.932 54 HB3 LEU 9 2HB LEU 9 1.668 11.636 3.407 55 HG LEU 9 HG LEU 9 2.231 9.583 2.068 56 HD11 LEU 9 1HD1 LEU 9 0.552 8.840 0.357 57 HD12 LEU 9 2HD1 LEU 9 -0.059 8.597 2.011 58 HD13 LEU 9 3HD1 LEU 9 -0.629 9.978 1.044 59 HD21 LEU 9 3HD2 LEU 9 2.640 11.805 1.186 60 HD22 LEU 9 1HD2 LEU 9 2.125 10.717 -0.125 61 HD23 LEU 9 2HD2 LEU 9 0.977 11.893 0.559 62 H ALA 10 H ALA 10 2.691 10.418 5.485 63 HA ALA 10 HA ALA 10 4.225 8.178 4.653 64 HB1 ALA 10 1HB ALA 10 5.701 8.735 6.547 65 HB2 ALA 10 2HB ALA 10 5.224 10.190 5.639 66 HB3 ALA 10 3HB ALA 10 4.451 9.820 7.198 67 H GLU 11 H GLU 11 2.159 8.642 7.509 68 HA GLU 11 HA GLU 11 2.749 6.059 8.670 69 HB2 GLU 11 1HB GLU 11 0.437 7.976 8.969 70 HB3 GLU 11 2HB GLU 11 0.596 6.463 9.894 71 HG2 GLU 11 1HG GLU 11 2.706 7.338 10.951 72 HG3 GLU 11 2HG GLU 11 2.548 8.726 9.850 73 H ALA 12 H ALA 12 0.208 7.223 6.480 74 HA ALA 12 HA ALA 12 -1.264 4.791 6.363 75 HB1 ALA 12 1HB ALA 12 -2.124 5.649 4.219 76 HB2 ALA 12 2HB ALA 12 -2.120 6.911 5.475 77 HB3 ALA 12 3HB ALA 12 -0.861 6.902 4.218 78 H LYS 13 H LYS 13 1.568 5.901 4.538 79 HA LYS 13 HA LYS 13 1.685 3.620 2.775 80 HB2 LYS 13 1HB LYS 13 3.754 5.586 3.754 81 HB3 LYS 13 2HB LYS 13 4.107 4.292 2.584 82 HG2 LYS 13 1HG LYS 13 2.424 5.243 1.043 83 HG3 LYS 13 2HG LYS 13 2.113 6.553 2.206 84 HD2 LYS 13 1HD LYS 13 4.426 7.317 2.004 85 HD3 LYS 13 2HD LYS 13 4.792 5.971 0.899 86 HE2 LYS 13 1HE LYS 13 3.099 6.851 -0.684 87 HE3 LYS 13 2HE LYS 13 2.828 8.230 0.405 88 HZ1 LYS 13 3HZ LYS 13 5.378 7.570 -0.924 89 HZ2 LYS 13 1HZ LYS 13 4.352 8.782 -1.367 90 HZ3 LYS 13 2HZ LYS 13 5.128 8.849 0.088 91 H GLU 14 H GLU 14 3.126 4.297 5.950 92 HA GLU 14 HA GLU 14 4.708 1.891 6.047 93 HB2 GLU 14 1HB GLU 14 3.577 3.709 8.173 94 HB3 GLU 14 2HB GLU 14 4.607 2.302 8.533 95 HG2 GLU 14 1HG GLU 14 6.497 3.359 7.261 96 HG3 GLU 14 2HG GLU 14 5.333 4.616 6.786 97 H LYS 15 H LYS 15 1.371 2.615 6.943 98 HA LYS 15 HA LYS 15 0.886 0.066 8.232 99 HB2 LYS 15 1HB LYS 15 -0.921 2.122 6.961 100 HB3 LYS 15 2HB LYS 15 -1.514 0.646 7.759 101 HG2 LYS 15 1HG LYS 15 -0.514 1.368 9.876 102 HG3 LYS 15 2HG LYS 15 0.130 2.828 9.087 103 HD2 LYS 15 1HD LYS 15 -2.189 3.530 8.551 104 HD3 LYS 15 2HD LYS 15 -2.800 2.101 9.418 105 HE2 LYS 15 1HE LYS 15 -1.756 2.895 11.488 106 HE3 LYS 15 2HE LYS 15 -1.113 4.312 10.628 107 HZ1 LYS 15 3HZ LYS 15 -3.971 3.687 11.004 108 HZ2 LYS 15 1HZ LYS 15 -3.125 4.838 11.830 109 HZ3 LYS 15 2HZ LYS 15 -3.376 5.002 10.207 110 H ALA 16 H ALA 16 0.363 1.270 4.923 111 HA ALA 16 HA ALA 16 -0.763 -1.184 3.947 112 HB1 ALA 16 1HB ALA 16 -0.251 -0.272 1.715 113 HB2 ALA 16 2HB ALA 16 -1.022 0.947 2.757 114 HB3 ALA 16 3HB ALA 16 0.732 1.007 2.464 115 H ILE 17 H ILE 17 2.563 0.055 4.088 116 HA ILE 17 HA ILE 17 3.808 -2.146 2.718 117 HB ILE 17 HB ILE 17 4.812 -0.250 4.885 118 HG12 ILE 17 1HG1 ILE 17 5.552 -0.402 1.980 119 HG13 ILE 17 2HG1 ILE 17 4.227 0.606 2.609 120 HG21 ILE 17 1HG2 ILE 17 7.074 -1.094 4.357 121 HG22 ILE 17 2HG2 ILE 17 6.044 -2.389 5.009 122 HG23 ILE 17 3HG2 ILE 17 6.367 -2.305 3.261 123 HD11 ILE 17 3HD1 ILE 17 7.154 0.815 3.403 124 HD12 ILE 17 1HD1 ILE 17 6.288 1.925 2.316 125 HD13 ILE 17 2HD1 ILE 17 5.829 1.822 4.033 126 H LYS 18 H LYS 18 3.216 -1.654 6.197 127 HA LYS 18 HA LYS 18 4.222 -4.176 7.045 128 HB2 LYS 18 1HB LYS 18 3.617 -2.339 8.547 129 HB3 LYS 18 2HB LYS 18 1.902 -2.573 8.134 130 HG2 LYS 18 1HG LYS 18 1.944 -4.808 9.130 131 HG3 LYS 18 2HG LYS 18 3.677 -4.627 9.497 132 HD2 LYS 18 1HD LYS 18 3.186 -2.747 10.988 133 HD3 LYS 18 2HD LYS 18 1.454 -2.868 10.591 134 HE2 LYS 18 1HE LYS 18 1.398 -5.140 11.534 135 HE3 LYS 18 2HE LYS 18 3.126 -5.014 11.937 136 HZ1 LYS 18 3HZ LYS 18 0.983 -3.305 13.027 137 HZ2 LYS 18 1HZ LYS 18 1.734 -4.533 13.833 138 HZ3 LYS 18 2HZ LYS 18 2.585 -3.187 13.401 139 H ASP 19 H ASP 19 0.946 -3.278 5.968 140 HA ASP 19 HA ASP 19 -0.247 -5.828 6.436 141 HB2 ASP 19 1HB ASP 19 -0.975 -3.651 4.385 142 HB3 ASP 19 2HB ASP 19 -1.786 -5.201 4.721 143 H LEU 20 H LEU 20 1.411 -4.535 3.568 144 HA LEU 20 HA LEU 20 0.862 -6.818 1.906 145 HB2 LEU 20 1HB LEU 20 2.971 -4.767 1.973 146 HB3 LEU 20 2HB LEU 20 2.899 -5.877 0.586 147 HG LEU 20 HG LEU 20 0.728 -3.911 1.410 148 HD11 LEU 20 1HD1 LEU 20 1.354 -2.709 -0.702 149 HD12 LEU 20 2HD1 LEU 20 2.725 -2.787 0.429 150 HD13 LEU 20 3HD1 LEU 20 2.658 -3.889 -0.968 151 HD21 LEU 20 3HD2 LEU 20 -0.186 -5.912 0.394 152 HD22 LEU 20 1HD2 LEU 20 -0.344 -4.538 -0.724 153 HD23 LEU 20 2HD2 LEU 20 0.927 -5.756 -0.985 154 H LYS 21 H LYS 21 3.496 -6.057 4.139 155 HA LYS 21 HA LYS 21 5.050 -8.420 3.505 156 HB2 LYS 21 1HB LYS 21 4.930 -6.596 5.906 157 HB3 LYS 21 2HB LYS 21 6.047 -7.975 5.773 158 HG2 LYS 21 1HG LYS 21 7.042 -6.954 3.751 159 HG3 LYS 21 2HG LYS 21 5.949 -5.562 3.932 160 HD2 LYS 21 1HD LYS 21 6.937 -5.048 6.115 161 HD3 LYS 21 2HD LYS 21 8.005 -6.465 5.976 162 HE2 LYS 21 1HE LYS 21 9.050 -5.488 3.980 163 HE3 LYS 21 2HE LYS 21 7.977 -4.075 4.105 164 HZ1 LYS 21 3HZ LYS 21 9.977 -4.892 6.114 165 HZ2 LYS 21 1HZ LYS 21 10.138 -3.637 5.055 166 HZ3 LYS 21 2HZ LYS 21 8.981 -3.582 6.231 167 H ILE 22 H ILE 22 2.437 -7.726 5.781 168 HA ILE 22 HA ILE 22 2.518 -10.297 7.116 169 HB ILE 22 HB ILE 22 0.275 -8.279 6.669 170 HG12 ILE 22 1HG1 ILE 22 1.762 -8.977 9.183 171 HG13 ILE 22 2HG1 ILE 22 2.232 -7.662 8.081 172 HG21 ILE 22 1HG2 ILE 22 -0.985 -9.555 8.371 173 HG22 ILE 22 2HG2 ILE 22 -0.660 -10.552 6.933 174 HG23 ILE 22 3HG2 ILE 22 0.306 -10.779 8.409 175 HD11 ILE 22 3HD1 ILE 22 -0.418 -7.890 9.548 176 HD12 ILE 22 1HD1 ILE 22 0.920 -6.804 9.981 177 HD13 ILE 22 2HD1 ILE 22 0.051 -6.576 8.445 178 H TYR 23 H TYR 23 0.894 -9.166 4.189 179 HA TYR 23 HA TYR 23 -0.551 -11.649 3.784 180 HB2 TYR 23 1HB TYR 23 0.212 -9.358 1.974 181 HB3 TYR 23 2HB TYR 23 -0.715 -10.773 1.421 182 HD1 TYR 23 2HD TYR 23 -2.724 -11.335 3.241 183 HD2 TYR 23 1HD TYR 23 -1.103 -7.489 2.369 184 HE1 TYR 23 2HE TYR 23 -4.818 -10.285 4.029 185 HE2 TYR 23 1HE TYR 23 -3.195 -6.419 3.155 186 HH TYR 23 HH TYR 23 -5.946 -8.337 4.373 187 H GLY 24 H GLY 24 2.664 -10.520 2.972 188 HA2 GLY 24 1HA GLY 24 4.441 -12.106 2.638 189 HA3 GLY 24 2HA GLY 24 3.257 -13.270 1.998 190 H ILE 25 H ILE 25 3.336 -9.866 1.093 191 HA ILE 25 HA ILE 25 3.856 -10.690 -1.734 192 HB ILE 25 HB ILE 25 2.785 -8.109 -0.507 193 HG12 ILE 25 1HG1 ILE 25 1.408 -10.040 -2.345 194 HG13 ILE 25 2HG1 ILE 25 1.320 -10.136 -0.571 195 HG21 ILE 25 1HG2 ILE 25 2.440 -7.372 -2.841 196 HG22 ILE 25 2HG2 ILE 25 4.165 -7.648 -2.506 197 HG23 ILE 25 3HG2 ILE 25 3.235 -8.853 -3.427 198 HD11 ILE 25 3HD1 ILE 25 0.421 -7.784 -2.273 199 HD12 ILE 25 1HD1 ILE 25 -0.647 -8.976 -1.498 200 HD13 ILE 25 2HD1 ILE 25 0.334 -7.879 -0.498 201 H GLY 26 H GLY 26 5.401 -9.890 -3.020 202 HA2 GLY 26 1HA GLY 26 7.882 -9.662 -1.580 203 HA3 GLY 26 2HA GLY 26 7.674 -9.588 -3.344 204 H GLU 27 H GLU 27 9.542 -7.998 -2.060 205 HA GLU 27 HA GLU 27 8.530 -5.432 -1.226 206 HB2 GLU 27 1HB GLU 27 11.222 -6.351 -2.235 207 HB3 GLU 27 2HB GLU 27 10.888 -4.696 -1.671 208 HG2 GLU 27 1HG GLU 27 10.335 -5.617 0.622 209 HG3 GLU 27 2HG GLU 27 10.591 -7.222 -0.100 210 H HIS 28 H HIS 28 9.291 -6.801 -4.352 211 HA HIS 28 HA HIS 28 9.575 -4.488 -5.918 212 HB2 HIS 28 1HB HIS 28 9.793 -6.758 -6.861 213 HB3 HIS 28 2HB HIS 28 8.054 -7.040 -6.610 214 HD2 HIS 28 2HD HIS 28 6.407 -6.174 -8.759 215 HE1 HIS 28 1HE HIS 28 9.539 -4.170 -10.814 216 H TYR 29 H TYR 29 6.616 -5.905 -4.598 217 HA TYR 29 HA TYR 29 4.998 -3.825 -5.983 218 HB2 TYR 29 1HB TYR 29 4.193 -6.172 -4.254 219 HB3 TYR 29 2HB TYR 29 3.085 -5.071 -5.110 220 HD1 TYR 29 1HD TYR 29 5.553 -7.792 -5.523 221 HD2 TYR 29 2HD TYR 29 2.730 -5.275 -7.493 222 HE1 TYR 29 1HE TYR 29 5.681 -9.235 -7.534 223 HE2 TYR 29 2HE TYR 29 2.845 -6.703 -9.507 224 HH TYR 29 HH TYR 29 3.770 -8.550 -10.467 225 H ILE 30 H ILE 30 6.206 -4.680 -2.817 226 HA ILE 30 HA ILE 30 4.581 -2.843 -1.291 227 HB ILE 30 HB ILE 30 7.402 -3.922 -0.869 228 HG12 ILE 30 1HG1 ILE 30 4.840 -4.565 0.563 229 HG13 ILE 30 2HG1 ILE 30 5.490 -5.495 -0.807 230 HG21 ILE 30 1HG2 ILE 30 7.211 -3.047 1.435 231 HG22 ILE 30 2HG2 ILE 30 7.151 -1.728 0.243 232 HG23 ILE 30 3HG2 ILE 30 5.654 -2.294 1.020 233 HD11 ILE 30 3HD1 ILE 30 6.873 -5.067 1.864 234 HD12 ILE 30 1HD1 ILE 30 6.062 -6.560 1.339 235 HD13 ILE 30 2HD1 ILE 30 7.522 -5.996 0.492 236 H LYS 31 H LYS 31 7.494 -2.399 -3.215 237 HA LYS 31 HA LYS 31 8.076 0.244 -2.216 238 HB2 LYS 31 1HB LYS 31 8.764 -1.187 -4.783 239 HB3 LYS 31 2HB LYS 31 9.348 0.444 -4.377 240 HG2 LYS 31 1HG LYS 31 10.518 -0.427 -2.422 241 HG3 LYS 31 2HG LYS 31 9.873 -2.056 -2.734 242 HD2 LYS 31 1HD LYS 31 11.067 -2.128 -4.880 243 HD3 LYS 31 2HD LYS 31 11.699 -0.490 -4.589 244 HE2 LYS 31 1HE LYS 31 12.852 -1.296 -2.570 245 HE3 LYS 31 2HE LYS 31 12.231 -2.935 -2.873 246 HZ1 LYS 31 3HZ LYS 31 14.033 -1.427 -4.657 247 HZ2 LYS 31 1HZ LYS 31 14.480 -2.674 -3.673 248 HZ3 LYS 31 2HZ LYS 31 13.458 -2.947 -4.939 249 H LEU 32 H LEU 32 5.718 -0.958 -4.434 250 HA LEU 32 HA LEU 32 5.249 1.461 -5.911 251 HB2 LEU 32 1HB LEU 32 3.545 -0.779 -5.048 252 HB3 LEU 32 2HB LEU 32 2.904 0.399 -6.216 253 HG LEU 32 HG LEU 32 5.289 -1.443 -6.641 254 HD11 LEU 32 1HD1 LEU 32 3.817 -2.532 -8.357 255 HD12 LEU 32 2HD1 LEU 32 3.097 -2.627 -6.732 256 HD13 LEU 32 3HD1 LEU 32 2.498 -1.428 -7.902 257 HD21 LEU 32 3HD2 LEU 32 5.589 0.684 -7.766 258 HD22 LEU 32 1HD2 LEU 32 5.268 -0.595 -8.962 259 HD23 LEU 32 2HD2 LEU 32 3.980 0.550 -8.513 260 H ILE 33 H ILE 33 4.196 0.363 -2.738 261 HA ILE 33 HA ILE 33 2.260 2.451 -2.270 262 HB ILE 33 HB ILE 33 4.049 0.892 -0.351 263 HG12 ILE 33 1HG1 ILE 33 2.505 -0.473 -1.599 264 HG13 ILE 33 2HG1 ILE 33 2.108 -0.406 0.134 265 HG21 ILE 33 1HG2 ILE 33 2.513 1.681 1.416 266 HG22 ILE 33 2HG2 ILE 33 3.342 3.047 0.634 267 HG23 ILE 33 3HG2 ILE 33 1.651 2.680 0.221 268 HD11 ILE 33 3HD1 ILE 33 0.707 1.144 -2.072 269 HD12 ILE 33 1HD1 ILE 33 0.073 -0.301 -1.250 270 HD13 ILE 33 2HD1 ILE 33 0.310 1.210 -0.339 271 H GLU 34 H GLU 34 5.765 2.344 -1.843 272 HA GLU 34 HA GLU 34 5.921 4.865 -0.451 273 HB2 GLU 34 1HB GLU 34 7.916 3.322 -2.111 274 HB3 GLU 34 2HB GLU 34 8.303 4.808 -1.210 275 HG2 GLU 34 1HG GLU 34 7.722 3.614 0.949 276 HG3 GLU 34 2HG GLU 34 7.271 2.238 -0.083 277 H LYS 35 H LYS 35 5.504 4.037 -3.788 278 HA LYS 35 HA LYS 35 6.510 6.641 -4.747 279 HB2 LYS 35 1HB LYS 35 5.145 4.334 -6.142 280 HB3 LYS 35 2HB LYS 35 5.751 5.802 -6.945 281 HG2 LYS 35 1HG LYS 35 8.042 5.247 -6.214 282 HG3 LYS 35 2HG LYS 35 7.429 3.770 -5.435 283 HD2 LYS 35 1HD LYS 35 6.636 2.949 -7.621 284 HD3 LYS 35 2HD LYS 35 7.263 4.423 -8.397 285 HE2 LYS 35 1HE LYS 35 9.537 3.843 -7.656 286 HE3 LYS 35 2HE LYS 35 8.909 2.365 -6.894 287 HZ1 LYS 35 3HZ LYS 35 8.801 2.985 -9.776 288 HZ2 LYS 35 1HZ LYS 35 9.840 1.920 -9.063 289 HZ3 LYS 35 2HZ LYS 35 8.218 1.613 -9.069 290 H ALA 36 H ALA 36 3.687 5.572 -3.332 291 HA ALA 36 HA ALA 36 1.729 6.915 -4.942 292 HB1 ALA 36 1HB ALA 36 0.280 6.710 -2.959 293 HB2 ALA 36 2HB ALA 36 1.129 5.186 -3.309 294 HB3 ALA 36 3HB ALA 36 1.687 6.232 -1.983 295 H LYS 37 H LYS 37 0.526 8.817 -4.461 296 HA LYS 37 HA LYS 37 2.200 10.904 -3.097 297 HB2 LYS 37 1HB LYS 37 0.272 11.174 -5.409 298 HB3 LYS 37 2HB LYS 37 1.121 12.513 -4.600 299 HG2 LYS 37 1HG LYS 37 3.281 11.590 -5.329 300 HG3 LYS 37 2HG LYS 37 2.438 10.243 -6.130 301 HD2 LYS 37 1HD LYS 37 1.276 11.854 -7.597 302 HD3 LYS 37 2HD LYS 37 2.142 13.191 -6.805 303 HE2 LYS 37 1HE LYS 37 4.279 12.290 -7.560 304 HE3 LYS 37 2HE LYS 37 3.454 10.895 -8.293 305 HZ1 LYS 37 3HZ LYS 37 3.110 13.711 -9.103 306 HZ2 LYS 37 1HZ LYS 37 3.981 12.576 -9.925 307 HZ3 LYS 37 2HZ LYS 37 2.344 12.417 -9.783 308 H GLN 38 H GLN 38 -0.856 9.313 -3.265 309 HA GLN 38 HA GLN 38 -1.819 11.106 -1.071 310 HB2 GLN 38 1HB GLN 38 -3.410 10.003 -3.396 311 HB3 GLN 38 2HB GLN 38 -4.111 10.786 -1.960 312 HG2 GLN 38 1HG GLN 38 -2.683 12.991 -2.785 313 HG3 GLN 38 2HG GLN 38 -2.395 11.776 -4.052 314 HE21 GLN 38 2HE2 GLN 38 -4.862 13.763 -2.443 315 HE22 GLN 38 1HE2 GLN 38 -5.982 13.773 -3.766 316 H VAL 39 H VAL 39 -3.270 10.186 0.412 317 HA VAL 39 HA VAL 39 -2.644 7.464 1.169 318 HB VAL 39 HB VAL 39 -4.917 9.311 2.009 319 HG11 VAL 39 1HG1 VAL 39 -5.190 7.760 3.916 320 HG12 VAL 39 2HG1 VAL 39 -5.493 6.933 2.370 321 HG13 VAL 39 3HG1 VAL 39 -3.950 6.688 3.223 322 HG21 VAL 39 3HG2 VAL 39 -2.727 10.177 2.580 323 HG22 VAL 39 1HG2 VAL 39 -3.592 9.635 4.038 324 HG23 VAL 39 2HG2 VAL 39 -2.294 8.630 3.348 325 H ALA 40 H ALA 40 -5.331 8.868 -0.646 326 HA ALA 40 HA ALA 40 -6.859 6.479 -0.874 327 HB1 ALA 40 1HB ALA 40 -7.817 7.523 -2.890 328 HB2 ALA 40 2HB ALA 40 -7.716 8.679 -1.541 329 HB3 ALA 40 3HB ALA 40 -6.529 8.749 -2.866 330 H ALA 41 H ALA 41 -4.129 7.695 -2.794 331 HA ALA 41 HA ALA 41 -4.138 5.542 -4.689 332 HB1 ALA 41 1HB ALA 41 -1.828 6.250 -5.173 333 HB2 ALA 41 2HB ALA 41 -2.933 7.642 -5.089 334 HB3 ALA 41 3HB ALA 41 -1.845 7.286 -3.727 335 H VAL 42 H VAL 42 -2.579 5.966 -1.533 336 HA VAL 42 HA VAL 42 -1.074 3.506 -1.534 337 HB VAL 42 HB VAL 42 -2.326 5.102 0.738 338 HG11 VAL 42 1HG1 VAL 42 -0.846 3.787 2.218 339 HG12 VAL 42 2HG1 VAL 42 -2.015 2.736 1.384 340 HG13 VAL 42 3HG1 VAL 42 -0.325 2.807 0.827 341 HG21 VAL 42 3HG2 VAL 42 -0.615 6.314 -0.476 342 HG22 VAL 42 1HG2 VAL 42 -0.038 5.855 1.143 343 HG23 VAL 42 2HG2 VAL 42 0.512 4.949 -0.287 344 H GLU 43 H GLU 43 -4.407 4.200 -0.515 345 HA GLU 43 HA GLU 43 -4.907 1.486 0.356 346 HB2 GLU 43 1HB GLU 43 -6.726 3.747 -0.476 347 HB3 GLU 43 2HB GLU 43 -7.302 2.180 0.140 348 HG2 GLU 43 1HG GLU 43 -6.165 2.637 2.342 349 HG3 GLU 43 2HG GLU 43 -5.506 4.095 1.567 350 H ASP 44 H ASP 44 -5.401 3.204 -2.704 351 HA ASP 44 HA ASP 44 -6.785 1.042 -4.018 352 HB2 ASP 44 1HB ASP 44 -5.156 3.387 -5.166 353 HB3 ASP 44 2HB ASP 44 -6.001 2.078 -6.031 354 H LEU 45 H LEU 45 -3.353 1.884 -3.725 355 HA LEU 45 HA LEU 45 -2.405 -0.192 -5.481 356 HB2 LEU 45 1HB LEU 45 -1.323 1.322 -3.211 357 HB3 LEU 45 2HB LEU 45 -0.239 0.158 -4.009 358 HG LEU 45 HG LEU 45 -1.579 2.523 -5.375 359 HD11 LEU 45 1HD1 LEU 45 0.718 3.530 -5.406 360 HD12 LEU 45 2HD1 LEU 45 0.152 3.263 -3.741 361 HD13 LEU 45 3HD1 LEU 45 1.323 2.140 -4.474 362 HD21 LEU 45 3HD2 LEU 45 -1.148 0.668 -6.875 363 HD22 LEU 45 1HD2 LEU 45 -0.038 2.011 -7.236 364 HD23 LEU 45 2HD2 LEU 45 0.546 0.589 -6.337 365 H LYS 46 H LYS 46 -2.930 -0.094 -1.963 366 HA LYS 46 HA LYS 46 -2.036 -2.718 -1.365 367 HB2 LYS 46 1HB LYS 46 -2.611 -1.099 0.338 368 HB3 LYS 46 2HB LYS 46 -4.310 -1.112 -0.191 369 HG2 LYS 46 1HG LYS 46 -4.517 -3.460 0.495 370 HG3 LYS 46 2HG LYS 46 -2.811 -3.470 1.002 371 HD2 LYS 46 1HD LYS 46 -3.225 -1.925 2.766 372 HD3 LYS 46 2HD LYS 46 -4.842 -1.532 2.137 373 HE2 LYS 46 1HE LYS 46 -5.621 -3.785 2.649 374 HE3 LYS 46 2HE LYS 46 -3.994 -4.241 3.205 375 HZ1 LYS 46 3HZ LYS 46 -5.716 -2.187 4.439 376 HZ2 LYS 46 1HZ LYS 46 -5.444 -3.699 5.042 377 HZ3 LYS 46 2HZ LYS 46 -4.207 -2.610 4.957 378 H ASP 47 H ASP 47 -5.263 -1.625 -2.417 379 HA ASP 47 HA ASP 47 -6.405 -4.286 -2.246 380 HB2 ASP 47 1HB ASP 47 -7.406 -1.744 -3.665 381 HB3 ASP 47 2HB ASP 47 -8.149 -3.360 -3.589 382 H GLU 48 H GLU 48 -5.031 -2.355 -4.886 383 HA GLU 48 HA GLU 48 -5.836 -4.244 -6.944 384 HB2 GLU 48 1HB GLU 48 -3.864 -1.965 -6.848 385 HB3 GLU 48 2HB GLU 48 -4.127 -2.964 -8.298 386 HG2 GLU 48 1HG GLU 48 -6.235 -1.169 -6.950 387 HG3 GLU 48 2HG GLU 48 -5.320 -0.933 -8.457 388 H ILE 49 H ILE 49 -2.849 -3.690 -5.112 389 HA ILE 49 HA ILE 49 -1.338 -5.733 -6.541 390 HB ILE 49 HB ILE 49 -0.947 -4.394 -3.827 391 HG12 ILE 49 1HG1 ILE 49 0.619 -4.072 -6.368 392 HG13 ILE 49 2HG1 ILE 49 -0.750 -3.035 -5.906 393 HG21 ILE 49 1HG2 ILE 49 1.313 -5.395 -3.856 394 HG22 ILE 49 2HG2 ILE 49 0.055 -6.653 -3.832 395 HG23 ILE 49 3HG2 ILE 49 0.905 -6.273 -5.348 396 HD11 ILE 49 3HD1 ILE 49 1.821 -3.394 -4.327 397 HD12 ILE 49 1HD1 ILE 49 1.399 -1.982 -5.322 398 HD13 ILE 49 2HD1 ILE 49 0.451 -2.359 -3.863 399 H LEU 50 H LEU 50 -3.119 -5.721 -3.468 400 HA LEU 50 HA LEU 50 -2.516 -8.446 -2.812 401 HB2 LEU 50 1HB LEU 50 -3.320 -6.817 -1.336 402 HB3 LEU 50 2HB LEU 50 -4.948 -6.734 -2.049 403 HG LEU 50 HG LEU 50 -5.219 -9.178 -1.504 404 HD11 LEU 50 1HD1 LEU 50 -3.676 -10.132 0.231 405 HD12 LEU 50 2HD1 LEU 50 -2.798 -9.724 -1.263 406 HD13 LEU 50 3HD1 LEU 50 -2.697 -8.649 0.152 407 HD21 LEU 50 3HD2 LEU 50 -6.239 -7.461 -0.130 408 HD22 LEU 50 1HD2 LEU 50 -5.683 -8.806 0.894 409 HD23 LEU 50 2HD2 LEU 50 -4.745 -7.294 0.823 410 H LYS 51 H LYS 51 -5.168 -7.000 -4.680 411 HA LYS 51 HA LYS 51 -6.499 -9.499 -5.232 412 HB2 LYS 51 1HB LYS 51 -7.535 -7.293 -5.514 413 HB3 LYS 51 2HB LYS 51 -6.397 -6.937 -6.834 414 HG2 LYS 51 1HG LYS 51 -7.344 -8.743 -8.178 415 HG3 LYS 51 2HG LYS 51 -8.438 -9.186 -6.845 416 HD2 LYS 51 1HD LYS 51 -9.526 -6.991 -6.991 417 HD3 LYS 51 2HD LYS 51 -8.417 -6.521 -8.301 418 HE2 LYS 51 1HE LYS 51 -9.284 -8.367 -9.687 419 HE3 LYS 51 2HE LYS 51 -10.411 -8.806 -8.383 420 HZ1 LYS 51 3HZ LYS 51 -10.387 -6.238 -9.833 421 HZ2 LYS 51 1HZ LYS 51 -11.476 -7.457 -10.058 422 HZ3 LYS 51 2HZ LYS 51 -11.432 -6.645 -8.623 423 H ALA 52 H ALA 52 -3.949 -7.698 -6.925 424 HA ALA 52 HA ALA 52 -3.843 -9.312 -9.246 425 HB1 ALA 52 1HB ALA 52 -1.533 -8.487 -9.486 426 HB2 ALA 52 2HB ALA 52 -2.652 -7.176 -9.041 427 HB3 ALA 52 3HB ALA 52 -1.576 -7.883 -7.814 428 H HIS 53 H HIS 53 -2.484 -9.819 -6.033 429 HA HIS 53 HA HIS 53 -1.150 -12.313 -6.951 430 HB2 HIS 53 1HB HIS 53 -1.170 -10.858 -4.270 431 HB3 HIS 53 2HB HIS 53 -0.328 -12.397 -4.571 432 HD2 HIS 53 2HD HIS 53 0.513 -8.648 -4.649 433 HE1 HIS 53 1HE HIS 53 3.260 -10.640 -7.206 434 H ASP 54 H ASP 54 -4.167 -11.356 -5.865 435 HA ASP 54 HA ASP 54 -5.968 -12.493 -4.929 436 HB2 ASP 54 1HB ASP 54 -4.550 -14.954 -6.118 437 HB3 ASP 54 2HB ASP 54 -6.178 -14.765 -5.421 438 H ARG 55 H ARG 55 -4.097 -11.809 -3.081 439 HA ARG 55 HA ARG 55 -3.883 -14.246 -1.344 440 HB2 ARG 55 1HB ARG 55 -2.246 -11.749 -1.317 441 HB3 ARG 55 2HB ARG 55 -2.174 -13.061 -0.117 442 HG2 ARG 55 1HG ARG 55 -1.440 -14.629 -1.836 443 HG3 ARG 55 2HG ARG 55 -1.581 -13.361 -3.078 444 HD2 ARG 55 1HD ARG 55 0.677 -13.536 -2.614 445 HD3 ARG 55 2HD ARG 55 0.128 -12.083 -1.747 446 HE ARG 55 HE ARG 55 0.694 -13.262 0.355 447 HH11 ARG 55 1HH1 ARG 55 0.855 -15.471 -2.338 448 HH12 ARG 55 2HH1 ARG 55 1.682 -16.645 -1.333 449 HH21 ARG 55 1HH2 ARG 55 1.633 -14.598 1.521 450 HH22 ARG 55 2HH2 ARG 55 2.126 -16.148 0.868 451 H PHE 56 H PHE 56 -6.166 -12.269 -1.801 452 HA PHE 56 HA PHE 56 -6.504 -10.697 0.558 453 HB2 PHE 56 1HB PHE 56 -7.932 -10.486 -1.477 454 HB3 PHE 56 2HB PHE 56 -8.650 -12.073 -1.114 455 HD1 PHE 56 1HD PHE 56 -8.243 -8.619 0.166 456 HD2 PHE 56 2HD PHE 56 -10.427 -12.285 0.359 457 HE1 PHE 56 1HE PHE 56 -9.955 -7.523 1.571 458 HE2 PHE 56 2HE PHE 56 -12.144 -11.192 1.763 459 HZ PHE 56 HZ PHE 56 -11.906 -8.809 2.370 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 9.774 6.170 3.937 2 H2 ASN 1 2H ASN 1 8.554 6.737 3.275 3 H3 ASN 1 H ASN 1 9.914 7.411 3.090 4 H3 ASN 1 3H ASN 1 9.888 7.391 3.074 5 HA ASN 1 HA ASN 1 8.019 8.116 5.081 6 HB2 ASN 1 1HB ASN 1 10.570 6.978 6.453 7 HB3 ASN 1 2HB ASN 1 9.227 8.057 6.900 8 HD21 ASN 1 2HD2 ASN 1 10.177 5.306 7.759 9 HD22 ASN 1 1HD2 ASN 1 8.742 4.336 7.721 10 H GLY 2 H GLY 2 8.502 10.069 6.179 11 HA2 GLY 2 1HA GLY 2 9.654 12.095 6.469 12 HA3 GLY 2 2HA GLY 2 10.955 11.498 5.412 13 H ASP 3 H ASP 3 7.612 11.283 4.422 14 HA ASP 3 HA ASP 3 8.120 12.812 2.012 15 HB2 ASP 3 1HB ASP 3 5.498 11.740 3.215 16 HB3 ASP 3 2HB ASP 3 5.748 12.689 1.728 17 H LYS 4 H LYS 4 7.251 14.743 1.317 18 HA LYS 4 HA LYS 4 7.221 16.790 3.404 19 HB2 LYS 4 1HB LYS 4 6.747 16.889 0.422 20 HB3 LYS 4 2HB LYS 4 6.789 18.313 1.488 21 HG2 LYS 4 1HG LYS 4 9.125 17.805 2.078 22 HG3 LYS 4 2HG LYS 4 9.083 16.380 1.013 23 HD2 LYS 4 1HD LYS 4 8.663 17.826 -0.926 24 HD3 LYS 4 2HD LYS 4 8.669 19.257 0.132 25 HE2 LYS 4 1HE LYS 4 11.000 18.795 0.751 26 HE3 LYS 4 2HE LYS 4 10.996 17.357 -0.294 27 HZ1 LYS 4 3HZ LYS 4 10.622 20.138 -1.204 28 HZ2 LYS 4 1HZ LYS 4 11.998 19.247 -1.385 29 HZ3 LYS 4 2HZ LYS 4 10.619 18.805 -2.175 30 H GLY 5 H GLY 5 5.594 18.353 3.745 31 HA2 GLY 5 1HA GLY 5 3.357 19.078 3.864 32 HA3 GLY 5 2HA GLY 5 2.851 17.647 2.938 33 H TYR 6 H TYR 6 1.403 16.597 4.139 34 HA TYR 6 HA TYR 6 1.652 16.502 7.078 35 HB2 TYR 6 1HB TYR 6 -0.351 15.390 5.108 36 HB3 TYR 6 2HB TYR 6 -0.428 15.110 6.864 37 HD1 TYR 6 2HD TYR 6 -0.814 17.042 8.400 38 HD2 TYR 6 1HD TYR 6 -1.065 17.473 4.165 39 HE1 TYR 6 2HE TYR 6 -2.022 19.176 8.700 40 HE2 TYR 6 1HE TYR 6 -2.278 19.614 4.447 41 HH TYR 6 HH TYR 6 -3.027 20.943 7.672 42 H ASN 7 H ASN 7 1.660 14.601 8.317 43 HA ASN 7 HA ASN 7 3.433 12.546 7.101 44 HB2 ASN 7 1HB ASN 7 2.792 12.926 10.122 45 HB3 ASN 7 2HB ASN 7 3.658 11.729 9.128 46 HD21 ASN 7 2HD2 ASN 7 4.400 13.807 11.241 47 HD22 ASN 7 1HD2 ASN 7 5.765 14.622 10.551 48 H GLY 8 H GLY 8 0.198 12.996 7.344 49 HA2 GLY 8 1HA GLY 8 -0.734 10.456 8.271 50 HA3 GLY 8 2HA GLY 8 -1.608 11.563 7.186 51 H LEU 9 H LEU 9 0.427 11.605 5.130 52 HA LEU 9 HA LEU 9 -0.277 9.253 3.626 53 HB2 LEU 9 1HB LEU 9 0.205 11.250 2.626 54 HB3 LEU 9 2HB LEU 9 1.881 11.389 3.205 55 HG LEU 9 HG LEU 9 2.434 9.315 1.912 56 HD11 LEU 9 1HD1 LEU 9 0.822 8.602 0.125 57 HD12 LEU 9 2HD1 LEU 9 0.118 8.404 1.748 58 HD13 LEU 9 3HD1 LEU 9 -0.354 9.790 0.734 59 HD21 LEU 9 3HD2 LEU 9 2.962 11.508 1.023 60 HD22 LEU 9 1HD2 LEU 9 2.480 10.418 -0.298 61 HD23 LEU 9 2HD2 LEU 9 1.338 11.643 0.309 62 H ALA 10 H ALA 10 2.672 10.167 5.396 63 HA ALA 10 HA ALA 10 4.139 7.813 4.698 64 HB1 ALA 10 1HB ALA 10 5.575 8.401 6.613 65 HB2 ALA 10 2HB ALA 10 5.215 9.823 5.606 66 HB3 ALA 10 3HB ALA 10 4.366 9.589 7.153 67 H GLU 11 H GLU 11 1.918 8.536 7.364 68 HA GLU 11 HA GLU 11 2.297 6.001 8.715 69 HB2 GLU 11 1HB GLU 11 0.060 8.028 8.712 70 HB3 GLU 11 2HB GLU 11 0.070 6.565 9.727 71 HG2 GLU 11 1HG GLU 11 2.125 7.409 10.910 72 HG3 GLU 11 2HG GLU 11 2.121 8.740 9.730 73 H ALA 12 H ALA 12 0.049 7.139 6.218 74 HA ALA 12 HA ALA 12 -1.500 4.737 6.099 75 HB1 ALA 12 1HB ALA 12 -2.171 5.534 3.866 76 HB2 ALA 12 2HB ALA 12 -2.240 6.839 5.074 77 HB3 ALA 12 3HB ALA 12 -0.886 6.763 3.922 78 H LYS 13 H LYS 13 1.462 5.746 4.415 79 HA LYS 13 HA LYS 13 1.661 3.401 2.753 80 HB2 LYS 13 1HB LYS 13 3.695 5.372 3.791 81 HB3 LYS 13 2HB LYS 13 4.098 4.035 2.688 82 HG2 LYS 13 1HG LYS 13 2.562 4.953 1.002 83 HG3 LYS 13 2HG LYS 13 2.140 6.283 2.106 84 HD2 LYS 13 1HD LYS 13 4.445 7.084 2.073 85 HD3 LYS 13 2HD LYS 13 4.928 5.713 1.047 86 HE2 LYS 13 1HE LYS 13 3.369 6.514 -0.707 87 HE3 LYS 13 2HE LYS 13 2.977 7.917 0.312 88 HZ1 LYS 13 3HZ LYS 13 5.648 7.273 -0.763 89 HZ2 LYS 13 1HZ LYS 13 4.643 8.451 -1.332 90 HZ3 LYS 13 2HZ LYS 13 5.284 8.576 0.183 91 H GLU 14 H GLU 14 2.926 4.172 5.981 92 HA GLU 14 HA GLU 14 4.509 1.811 6.288 93 HB2 GLU 14 1HB GLU 14 4.661 3.769 7.744 94 HB3 GLU 14 2HB GLU 14 3.024 3.438 8.359 95 HG2 GLU 14 1HG GLU 14 3.905 1.226 9.305 96 HG3 GLU 14 2HG GLU 14 5.469 1.740 8.632 97 H LYS 15 H LYS 15 1.125 2.453 7.226 98 HA LYS 15 HA LYS 15 0.765 -0.210 8.328 99 HB2 LYS 15 1HB LYS 15 -1.167 1.949 7.477 100 HB3 LYS 15 2HB LYS 15 -1.656 0.412 8.229 101 HG2 LYS 15 1HG LYS 15 -0.362 0.978 10.242 102 HG3 LYS 15 2HG LYS 15 0.140 2.511 9.491 103 HD2 LYS 15 1HD LYS 15 -2.221 3.215 9.361 104 HD3 LYS 15 2HD LYS 15 -2.712 1.688 10.132 105 HE2 LYS 15 1HE LYS 15 -1.423 2.270 12.134 106 HE3 LYS 15 2HE LYS 15 -0.900 3.786 11.364 107 HZ1 LYS 15 3HZ LYS 15 -3.685 3.068 12.017 108 HZ2 LYS 15 1HZ LYS 15 -2.749 4.138 12.854 109 HZ3 LYS 15 2HZ LYS 15 -3.201 4.474 11.303 110 H ALA 16 H ALA 16 0.340 1.228 5.159 111 HA ALA 16 HA ALA 16 -1.220 -0.904 4.036 112 HB1 ALA 16 1HB ALA 16 -0.482 -0.002 1.864 113 HB2 ALA 16 2HB ALA 16 -1.024 1.291 2.958 114 HB3 ALA 16 3HB ALA 16 0.714 1.018 2.695 115 H ILE 17 H ILE 17 2.295 -0.297 4.107 116 HA ILE 17 HA ILE 17 2.853 -2.835 2.712 117 HB ILE 17 HB ILE 17 5.210 -2.248 3.055 118 HG12 ILE 17 1HG1 ILE 17 4.203 0.043 4.722 119 HG13 ILE 17 2HG1 ILE 17 4.945 -1.450 5.343 120 HG21 ILE 17 1HG2 ILE 17 5.277 -0.061 1.905 121 HG22 ILE 17 2HG2 ILE 17 4.024 -1.112 1.207 122 HG23 ILE 17 3HG2 ILE 17 3.565 0.205 2.311 123 HD11 ILE 17 3HD1 ILE 17 6.294 0.590 3.539 124 HD12 ILE 17 1HD1 ILE 17 6.575 0.397 5.285 125 HD13 ILE 17 2HD1 ILE 17 7.037 -0.903 4.160 126 H LYS 18 H LYS 18 2.432 -1.817 5.976 127 HA LYS 18 HA LYS 18 3.806 -3.946 7.296 128 HB2 LYS 18 1HB LYS 18 2.842 -2.012 8.439 129 HB3 LYS 18 2HB LYS 18 1.208 -2.575 8.011 130 HG2 LYS 18 1HG LYS 18 1.524 -4.584 9.377 131 HG3 LYS 18 2HG LYS 18 3.179 -4.065 9.777 132 HD2 LYS 18 1HD LYS 18 2.302 -2.066 10.892 133 HD3 LYS 18 2HD LYS 18 0.642 -2.542 10.462 134 HE2 LYS 18 1HE LYS 18 0.901 -4.607 11.782 135 HE3 LYS 18 2HE LYS 18 2.547 -4.107 12.229 136 HZ1 LYS 18 3HZ LYS 18 0.070 -2.653 12.904 137 HZ2 LYS 18 1HZ LYS 18 0.957 -3.572 13.948 138 HZ3 LYS 18 2HZ LYS 18 1.598 -2.188 13.321 139 H ASP 19 H ASP 19 0.394 -3.782 6.234 140 HA ASP 19 HA ASP 19 -0.158 -6.536 6.876 141 HB2 ASP 19 1HB ASP 19 -1.574 -4.606 4.941 142 HB3 ASP 19 2HB ASP 19 -1.973 -6.295 5.340 143 H LEU 20 H LEU 20 1.027 -4.937 3.951 144 HA LEU 20 HA LEU 20 0.691 -7.252 2.253 145 HB2 LEU 20 1HB LEU 20 2.384 -4.847 2.180 146 HB3 LEU 20 2HB LEU 20 2.366 -5.926 0.766 147 HG LEU 20 HG LEU 20 0.002 -4.366 1.882 148 HD11 LEU 20 1HD1 LEU 20 0.139 -3.116 -0.288 149 HD12 LEU 20 2HD1 LEU 20 1.642 -2.949 0.650 150 HD13 LEU 20 3HD1 LEU 20 1.573 -4.071 -0.730 151 HD21 LEU 20 3HD2 LEU 20 -0.696 -6.508 0.986 152 HD22 LEU 20 1HD2 LEU 20 -1.224 -5.197 -0.095 153 HD23 LEU 20 2HD2 LEU 20 0.186 -6.196 -0.527 154 H LYS 21 H LYS 21 3.330 -6.078 4.280 155 HA LYS 21 HA LYS 21 5.198 -8.139 3.412 156 HB2 LYS 21 1HB LYS 21 5.050 -6.295 5.793 157 HB3 LYS 21 2HB LYS 21 6.332 -7.513 5.593 158 HG2 LYS 21 1HG LYS 21 7.025 -6.448 3.487 159 HG3 LYS 21 2HG LYS 21 5.735 -5.234 3.674 160 HD2 LYS 21 1HD LYS 21 6.764 -4.467 5.778 161 HD3 LYS 21 2HD LYS 21 8.056 -5.676 5.585 162 HE2 LYS 21 1HE LYS 21 8.715 -4.611 3.458 163 HE3 LYS 21 2HE LYS 21 7.447 -3.385 3.690 164 HZ1 LYS 21 3HZ LYS 21 9.750 -3.830 5.479 165 HZ2 LYS 21 1HZ LYS 21 9.597 -2.588 4.405 166 HZ3 LYS 21 2HZ LYS 21 8.575 -2.693 5.696 167 H ILE 22 H ILE 22 2.756 -7.875 5.948 168 HA ILE 22 HA ILE 22 3.327 -10.429 7.186 169 HB ILE 22 HB ILE 22 0.772 -8.784 6.940 170 HG12 ILE 22 1HG1 ILE 22 2.494 -9.319 9.340 171 HG13 ILE 22 2HG1 ILE 22 2.691 -7.913 8.268 172 HG21 ILE 22 1HG2 ILE 22 -0.173 -10.294 8.653 173 HG22 ILE 22 2HG2 ILE 22 0.216 -11.182 7.161 174 HG23 ILE 22 3HG2 ILE 22 1.291 -11.301 8.574 175 HD11 ILE 22 3HD1 ILE 22 0.197 -8.596 9.862 176 HD12 ILE 22 1HD1 ILE 22 1.377 -7.328 10.267 177 HD13 ILE 22 2HD1 ILE 22 0.395 -7.191 8.789 178 H TYR 23 H TYR 23 1.339 -9.511 4.408 179 HA TYR 23 HA TYR 23 0.454 -12.244 3.925 180 HB2 TYR 23 1HB TYR 23 0.555 -9.763 2.203 181 HB3 TYR 23 2HB TYR 23 -0.115 -11.322 1.666 182 HD1 TYR 23 2HD TYR 23 -1.769 -12.327 3.673 183 HD2 TYR 23 1HD TYR 23 -1.093 -8.221 2.742 184 HE1 TYR 23 2HE TYR 23 -3.949 -11.750 4.684 185 HE2 TYR 23 1HE TYR 23 -3.277 -7.625 3.751 186 HH TYR 23 HH TYR 23 -5.424 -10.088 5.181 187 H GLY 24 H GLY 24 3.253 -10.334 3.010 188 HA2 GLY 24 1HA GLY 24 5.352 -11.397 2.677 189 HA3 GLY 24 2HA GLY 24 4.511 -12.900 2.229 190 H ILE 25 H ILE 25 3.612 -9.764 0.922 191 HA ILE 25 HA ILE 25 4.109 -10.611 -1.826 192 HB ILE 25 HB ILE 25 2.380 -8.841 -0.941 193 HG12 ILE 25 1HG1 ILE 25 2.593 -7.543 -3.050 194 HG13 ILE 25 2HG1 ILE 25 4.102 -8.430 -3.368 195 HG21 ILE 25 1HG2 ILE 25 3.238 -6.524 -1.012 196 HG22 ILE 25 2HG2 ILE 25 4.031 -7.461 0.276 197 HG23 ILE 25 3HG2 ILE 25 4.890 -7.142 -1.250 198 HD11 ILE 25 3HD1 ILE 25 1.347 -9.669 -3.036 199 HD12 ILE 25 1HD1 ILE 25 2.206 -9.438 -4.575 200 HD13 ILE 25 2HD1 ILE 25 2.856 -10.556 -3.353 201 H GLY 26 H GLY 26 5.526 -9.860 -3.327 202 HA2 GLY 26 1HA GLY 26 8.223 -9.684 -2.384 203 HA3 GLY 26 2HA GLY 26 7.674 -9.410 -4.054 204 H GLU 27 H GLU 27 9.753 -7.943 -2.873 205 HA GLU 27 HA GLU 27 8.860 -5.514 -1.601 206 HB2 GLU 27 1HB GLU 27 11.384 -6.250 -3.084 207 HB3 GLU 27 2HB GLU 27 11.128 -4.680 -2.284 208 HG2 GLU 27 1HG GLU 27 10.904 -5.888 -0.064 209 HG3 GLU 27 2HG GLU 27 11.081 -7.384 -1.007 210 H HIS 28 H HIS 28 9.151 -6.493 -4.943 211 HA HIS 28 HA HIS 28 9.089 -4.012 -6.259 212 HB2 HIS 28 1HB HIS 28 9.190 -6.070 -7.549 213 HB3 HIS 28 2HB HIS 28 7.612 -6.597 -6.917 214 HD2 HIS 28 2HD HIS 28 5.400 -5.772 -8.490 215 HE1 HIS 28 1HE HIS 28 7.656 -3.122 -10.926 216 H TYR 29 H TYR 29 6.428 -5.720 -4.657 217 HA TYR 29 HA TYR 29 4.490 -3.681 -5.549 218 HB2 TYR 29 1HB TYR 29 4.258 -6.068 -3.706 219 HB3 TYR 29 2HB TYR 29 2.912 -4.999 -4.171 220 HD1 TYR 29 2HD TYR 29 2.154 -4.946 -6.555 221 HD2 TYR 29 1HD TYR 29 5.021 -7.789 -5.182 222 HE1 TYR 29 2HE TYR 29 1.757 -6.309 -8.578 223 HE2 TYR 29 1HE TYR 29 4.635 -9.167 -7.204 224 HH TYR 29 HH TYR 29 3.491 -9.379 -9.154 225 H ILE 30 H ILE 30 6.368 -4.442 -2.687 226 HA ILE 30 HA ILE 30 5.075 -2.533 -0.932 227 HB ILE 30 HB ILE 30 7.944 -3.577 -1.001 228 HG12 ILE 30 1HG1 ILE 30 6.374 -5.333 -0.674 229 HG13 ILE 30 2HG1 ILE 30 7.257 -4.994 0.834 230 HG21 ILE 30 1HG2 ILE 30 8.077 -2.749 1.324 231 HG22 ILE 30 2HG2 ILE 30 7.775 -1.415 0.187 232 HG23 ILE 30 3HG2 ILE 30 6.443 -2.061 1.174 233 HD11 ILE 30 3HD1 ILE 30 4.428 -4.093 0.188 234 HD12 ILE 30 1HD1 ILE 30 4.873 -5.427 1.277 235 HD13 ILE 30 2HD1 ILE 30 5.310 -3.753 1.695 236 H LYS 31 H LYS 31 7.554 -2.223 -3.404 237 HA LYS 31 HA LYS 31 8.278 0.488 -2.723 238 HB2 LYS 31 1HB LYS 31 8.456 -1.123 -5.267 239 HB3 LYS 31 2HB LYS 31 9.060 0.544 -5.115 240 HG2 LYS 31 1HG LYS 31 10.626 -0.161 -3.369 241 HG3 LYS 31 2HG LYS 31 10.000 -1.823 -3.462 242 HD2 LYS 31 1HD LYS 31 10.732 -1.959 -5.817 243 HD3 LYS 31 2HD LYS 31 11.381 -0.305 -5.701 244 HE2 LYS 31 1HE LYS 31 12.924 -1.029 -3.933 245 HE3 LYS 31 2HE LYS 31 12.273 -2.681 -4.038 246 HZ1 LYS 31 3HZ LYS 31 13.668 -1.247 -6.206 247 HZ2 LYS 31 1HZ LYS 31 14.315 -2.449 -5.280 248 HZ3 LYS 31 2HZ LYS 31 13.064 -2.779 -6.305 249 H LEU 32 H LEU 32 5.735 -0.916 -4.716 250 HA LEU 32 HA LEU 32 4.899 1.422 -6.080 251 HB2 LEU 32 1HB LEU 32 3.472 -0.880 -4.934 252 HB3 LEU 32 2HB LEU 32 2.573 0.242 -5.982 253 HG LEU 32 HG LEU 32 4.967 -1.454 -6.792 254 HD11 LEU 32 1HD1 LEU 32 3.304 -2.649 -8.242 255 HD12 LEU 32 2HD1 LEU 32 2.867 -2.771 -6.521 256 HD13 LEU 32 3HD1 LEU 32 2.012 -1.622 -7.578 257 HD21 LEU 32 3HD2 LEU 32 4.948 0.675 -7.951 258 HD22 LEU 32 1HD2 LEU 32 4.515 -0.634 -9.078 259 HD23 LEU 32 2HD2 LEU 32 3.249 0.435 -8.424 260 H ILE 33 H ILE 33 3.961 0.245 -2.853 261 HA ILE 33 HA ILE 33 2.211 2.482 -2.280 262 HB ILE 33 HB ILE 33 3.750 0.605 -0.427 263 HG12 ILE 33 1HG1 ILE 33 2.183 -0.541 -1.837 264 HG13 ILE 33 2HG1 ILE 33 1.664 -0.537 -0.135 265 HG21 ILE 33 1HG2 ILE 33 2.187 1.388 1.320 266 HG22 ILE 33 2HG2 ILE 33 3.168 2.731 0.691 267 HG23 ILE 33 3HG2 ILE 33 1.479 2.544 0.169 268 HD11 ILE 33 3HD1 ILE 33 0.571 1.256 -2.332 269 HD12 ILE 33 1HD1 ILE 33 -0.245 -0.168 -1.649 270 HD13 ILE 33 2HD1 ILE 33 0.053 1.261 -0.630 271 H GLU 34 H GLU 34 5.653 1.916 -1.667 272 HA GLU 34 HA GLU 34 6.016 4.319 -0.118 273 HB2 GLU 34 1HB GLU 34 7.914 2.624 -1.745 274 HB3 GLU 34 2HB GLU 34 8.421 4.011 -0.751 275 HG2 GLU 34 1HG GLU 34 7.572 2.811 1.311 276 HG3 GLU 34 2HG GLU 34 7.016 1.546 0.190 277 H LYS 35 H LYS 35 5.789 3.718 -3.534 278 HA LYS 35 HA LYS 35 6.980 6.377 -4.155 279 HB2 LYS 35 1HB LYS 35 6.063 4.081 -5.892 280 HB3 LYS 35 2HB LYS 35 6.691 5.629 -6.506 281 HG2 LYS 35 1HG LYS 35 8.847 5.196 -5.401 282 HG3 LYS 35 2HG LYS 35 8.219 3.649 -4.782 283 HD2 LYS 35 1HD LYS 35 7.884 2.870 -7.102 284 HD3 LYS 35 2HD LYS 35 8.547 4.407 -7.705 285 HE2 LYS 35 1HE LYS 35 10.673 3.923 -6.537 286 HE3 LYS 35 2HE LYS 35 10.007 2.364 -6.002 287 HZ1 LYS 35 3HZ LYS 35 10.426 3.176 -8.808 288 HZ2 LYS 35 1HZ LYS 35 11.373 2.121 -7.962 289 HZ3 LYS 35 2HZ LYS 35 9.808 1.729 -8.311 290 H ALA 36 H ALA 36 4.088 5.374 -3.130 291 HA ALA 36 HA ALA 36 2.307 6.617 -5.021 292 HB1 ALA 36 1HB ALA 36 0.663 6.526 -3.187 293 HB2 ALA 36 2HB ALA 36 1.524 4.979 -3.370 294 HB3 ALA 36 3HB ALA 36 1.958 6.089 -2.049 295 H LYS 37 H LYS 37 1.099 8.554 -4.781 296 HA LYS 37 HA LYS 37 2.701 10.705 -3.432 297 HB2 LYS 37 1HB LYS 37 0.994 10.797 -5.924 298 HB3 LYS 37 2HB LYS 37 1.745 12.207 -5.140 299 HG2 LYS 37 1HG LYS 37 3.979 11.229 -5.558 300 HG3 LYS 37 2HG LYS 37 3.209 9.853 -6.382 301 HD2 LYS 37 1HD LYS 37 2.220 11.414 -8.029 302 HD3 LYS 37 2HD LYS 37 3.043 12.768 -7.219 303 HE2 LYS 37 1HE LYS 37 5.219 11.756 -7.707 304 HE3 LYS 37 2HE LYS 37 4.412 10.375 -8.486 305 HZ1 LYS 37 3HZ LYS 37 4.273 13.178 -9.396 306 HZ2 LYS 37 1HZ LYS 37 5.173 11.986 -10.097 307 HZ3 LYS 37 2HZ LYS 37 3.525 11.898 -10.118 308 H GLN 38 H GLN 38 -0.064 8.951 -3.133 309 HA GLN 38 HA GLN 38 -1.376 11.014 -1.502 310 HB2 GLN 38 1HB GLN 38 -2.115 11.459 -3.854 311 HB3 GLN 38 2HB GLN 38 -2.797 9.816 -3.886 312 HG2 GLN 38 1HG GLN 38 -4.450 10.624 -1.917 313 HG3 GLN 38 2HG GLN 38 -3.385 12.034 -2.128 314 HE21 GLN 38 2HE2 GLN 38 -6.094 12.371 -2.227 315 HE22 GLN 38 1HE2 GLN 38 -6.597 12.711 -3.850 316 H VAL 39 H VAL 39 -2.794 10.245 -0.029 317 HA VAL 39 HA VAL 39 -2.493 7.525 0.829 318 HB VAL 39 HB VAL 39 -4.671 9.567 1.431 319 HG11 VAL 39 1HG1 VAL 39 -5.214 8.117 3.358 320 HG12 VAL 39 2HG1 VAL 39 -5.468 7.259 1.820 321 HG13 VAL 39 3HG1 VAL 39 -4.019 6.924 2.798 322 HG21 VAL 39 3HG2 VAL 39 -2.466 10.276 2.142 323 HG22 VAL 39 1HG2 VAL 39 -3.480 9.861 3.545 324 HG23 VAL 39 2HG2 VAL 39 -2.221 8.731 2.990 325 H ALA 40 H ALA 40 -4.995 9.037 -1.170 326 HA ALA 40 HA ALA 40 -6.637 6.741 -1.451 327 HB1 ALA 40 1HB ALA 40 -7.390 7.777 -3.557 328 HB2 ALA 40 2HB ALA 40 -7.305 8.967 -2.237 329 HB3 ALA 40 3HB ALA 40 -6.031 8.921 -3.478 330 H ALA 41 H ALA 41 -3.736 7.739 -3.251 331 HA ALA 41 HA ALA 41 -3.767 5.515 -5.066 332 HB1 ALA 41 1HB ALA 41 -1.405 6.094 -5.465 333 HB2 ALA 41 2HB ALA 41 -2.443 7.539 -5.485 334 HB3 ALA 41 3HB ALA 41 -1.436 7.186 -4.062 335 H VAL 42 H VAL 42 -2.391 5.977 -1.838 336 HA VAL 42 HA VAL 42 -0.968 3.473 -1.676 337 HB VAL 42 HB VAL 42 -2.308 5.178 0.462 338 HG11 VAL 42 1HG1 VAL 42 -0.986 3.853 2.077 339 HG12 VAL 42 2HG1 VAL 42 -2.137 2.823 1.195 340 HG13 VAL 42 3HG1 VAL 42 -0.412 2.811 0.753 341 HG21 VAL 42 3HG2 VAL 42 -0.471 6.284 -0.666 342 HG22 VAL 42 1HG2 VAL 42 -0.023 5.854 1.002 343 HG23 VAL 42 2HG2 VAL 42 0.584 4.883 -0.361 344 H GLU 43 H GLU 43 -4.335 4.300 -0.901 345 HA GLU 43 HA GLU 43 -4.973 1.625 0.013 346 HB2 GLU 43 1HB GLU 43 -6.671 3.919 -0.974 347 HB3 GLU 43 2HB GLU 43 -7.327 2.390 -0.341 348 HG2 GLU 43 1HG GLU 43 -6.294 2.882 1.901 349 HG3 GLU 43 2HG GLU 43 -5.541 4.290 1.119 350 H ASP 44 H ASP 44 -5.360 3.308 -3.096 351 HA ASP 44 HA ASP 44 -6.757 1.146 -4.388 352 HB2 ASP 44 1HB ASP 44 -5.102 3.459 -5.565 353 HB3 ASP 44 2HB ASP 44 -5.972 2.154 -6.411 354 H LEU 45 H LEU 45 -3.310 2.012 -4.226 355 HA LEU 45 HA LEU 45 -2.410 -0.144 -5.903 356 HB2 LEU 45 1HB LEU 45 -1.261 1.469 -3.737 357 HB3 LEU 45 2HB LEU 45 -0.200 0.278 -4.523 358 HG LEU 45 HG LEU 45 -1.588 2.599 -5.918 359 HD11 LEU 45 1HD1 LEU 45 0.720 3.565 -6.106 360 HD12 LEU 45 2HD1 LEU 45 0.240 3.364 -4.405 361 HD13 LEU 45 3HD1 LEU 45 1.353 2.198 -5.160 362 HD21 LEU 45 3HD2 LEU 45 -1.266 0.686 -7.372 363 HD22 LEU 45 1HD2 LEU 45 -0.156 1.997 -7.839 364 HD23 LEU 45 2HD2 LEU 45 0.454 0.597 -6.924 365 H LYS 46 H LYS 46 -2.769 0.117 -2.369 366 HA LYS 46 HA LYS 46 -1.728 -2.429 -1.696 367 HB2 LYS 46 1HB LYS 46 -2.324 -0.639 -0.104 368 HB3 LYS 46 2HB LYS 46 -4.044 -0.967 -0.420 369 HG2 LYS 46 1HG LYS 46 -3.791 -3.237 0.477 370 HG3 LYS 46 2HG LYS 46 -2.060 -2.936 0.769 371 HD2 LYS 46 1HD LYS 46 -2.674 -1.083 2.306 372 HD3 LYS 46 2HD LYS 46 -4.391 -1.476 2.058 373 HE2 LYS 46 1HE LYS 46 -3.975 -3.753 2.934 374 HE3 LYS 46 2HE LYS 46 -2.279 -3.309 3.235 375 HZ1 LYS 46 3HZ LYS 46 -4.630 -2.038 4.483 376 HZ2 LYS 46 1HZ LYS 46 -3.616 -3.109 5.219 377 HZ3 LYS 46 2HZ LYS 46 -3.057 -1.625 4.762 378 H ASP 47 H ASP 47 -5.014 -1.527 -2.704 379 HA ASP 47 HA ASP 47 -6.115 -4.176 -2.395 380 HB2 ASP 47 1HB ASP 47 -7.029 -1.810 -4.137 381 HB3 ASP 47 2HB ASP 47 -7.760 -3.425 -3.957 382 H GLU 48 H GLU 48 -4.741 -2.463 -5.201 383 HA GLU 48 HA GLU 48 -5.137 -4.650 -7.037 384 HB2 GLU 48 1HB GLU 48 -3.185 -2.344 -7.014 385 HB3 GLU 48 2HB GLU 48 -3.373 -3.490 -8.364 386 HG2 GLU 48 1HG GLU 48 -5.516 -1.517 -7.365 387 HG3 GLU 48 2HG GLU 48 -4.512 -1.484 -8.833 388 H ILE 49 H ILE 49 -2.616 -3.889 -4.715 389 HA ILE 49 HA ILE 49 -0.757 -5.928 -5.665 390 HB ILE 49 HB ILE 49 -1.066 -4.489 -2.993 391 HG12 ILE 49 1HG1 ILE 49 1.101 -4.225 -5.051 392 HG13 ILE 49 2HG1 ILE 49 -0.371 -3.226 -5.043 393 HG21 ILE 49 1HG2 ILE 49 1.143 -5.439 -2.422 394 HG22 ILE 49 2HG2 ILE 49 -0.063 -6.724 -2.658 395 HG23 ILE 49 3HG2 ILE 49 1.130 -6.380 -3.931 396 HD11 ILE 49 3HD1 ILE 49 1.676 -3.395 -2.803 397 HD12 ILE 49 1HD1 ILE 49 1.505 -2.054 -3.960 398 HD13 ILE 49 2HD1 ILE 49 0.204 -2.395 -2.795 399 H LEU 50 H LEU 50 -3.361 -5.891 -3.274 400 HA LEU 50 HA LEU 50 -2.890 -8.620 -2.422 401 HB2 LEU 50 1HB LEU 50 -5.178 -6.773 -2.400 402 HB3 LEU 50 2HB LEU 50 -5.363 -8.357 -1.610 403 HG LEU 50 HG LEU 50 -3.380 -6.180 -0.838 404 HD11 LEU 50 1HD1 LEU 50 -4.760 -6.018 1.251 405 HD12 LEU 50 2HD1 LEU 50 -5.727 -5.646 -0.195 406 HD13 LEU 50 3HD1 LEU 50 -5.875 -7.237 0.589 407 HD21 LEU 50 3HD2 LEU 50 -2.471 -8.397 -0.464 408 HD22 LEU 50 1HD2 LEU 50 -2.861 -7.629 1.094 409 HD23 LEU 50 2HD2 LEU 50 -3.937 -8.879 0.423 410 H LYS 51 H LYS 51 -4.621 -7.159 -5.091 411 HA LYS 51 HA LYS 51 -5.939 -9.592 -5.952 412 HB2 LYS 51 1HB LYS 51 -5.075 -7.082 -7.385 413 HB3 LYS 51 2HB LYS 51 -5.937 -8.421 -8.179 414 HG2 LYS 51 1HG LYS 51 -7.835 -8.111 -6.639 415 HG3 LYS 51 2HG LYS 51 -6.974 -6.769 -5.850 416 HD2 LYS 51 1HD LYS 51 -6.926 -5.570 -8.035 417 HD3 LYS 51 2HD LYS 51 -7.897 -6.884 -8.741 418 HE2 LYS 51 1HE LYS 51 -9.708 -6.427 -7.173 419 HE3 LYS 51 2HE LYS 51 -8.735 -5.161 -6.388 420 HZ1 LYS 51 3HZ LYS 51 -9.674 -5.114 -9.185 421 HZ2 LYS 51 1HZ LYS 51 -10.311 -4.234 -7.944 422 HZ3 LYS 51 2HZ LYS 51 -8.771 -3.941 -8.457 423 H ALA 52 H ALA 52 -2.795 -8.108 -6.714 424 HA ALA 52 HA ALA 52 -1.925 -10.255 -8.418 425 HB1 ALA 52 1HB ALA 52 0.336 -9.363 -8.008 426 HB2 ALA 52 2HB ALA 52 -0.817 -8.066 -8.399 427 HB3 ALA 52 3HB ALA 52 -0.309 -8.328 -6.714 428 H HIS 53 H HIS 53 -1.857 -9.743 -4.925 429 HA HIS 53 HA HIS 53 -0.237 -12.089 -4.363 430 HB2 HIS 53 1HB HIS 53 -0.580 -10.112 -2.786 431 HB3 HIS 53 2HB HIS 53 -2.222 -10.731 -2.494 432 HD2 HIS 53 2HD HIS 53 1.422 -11.325 -1.183 433 HE1 HIS 53 1HE HIS 53 -1.118 -14.388 0.306 434 H ASP 54 H ASP 54 -3.516 -11.623 -5.262 435 HA ASP 54 HA ASP 54 -5.316 -13.091 -5.391 436 HB2 ASP 54 1HB ASP 54 -3.333 -15.329 -4.665 437 HB3 ASP 54 2HB ASP 54 -5.000 -15.356 -5.292 438 H ARG 55 H ARG 55 -4.514 -11.717 -2.919 439 HA ARG 55 HA ARG 55 -5.969 -13.509 -1.003 440 HB2 ARG 55 1HB ARG 55 -3.787 -12.848 -0.251 441 HB3 ARG 55 2HB ARG 55 -4.257 -11.139 -0.397 442 HG2 ARG 55 1HG ARG 55 -4.406 -11.803 1.922 443 HG3 ARG 55 2HG ARG 55 -6.044 -11.524 1.282 444 HD2 ARG 55 1HD ARG 55 -6.456 -13.843 1.140 445 HD3 ARG 55 2HD ARG 55 -4.763 -14.223 1.536 446 HE ARG 55 HE ARG 55 -5.839 -12.890 3.838 447 HH11 ARG 55 1HH1 ARG 55 -6.550 -15.797 2.048 448 HH12 ARG 55 2HH1 ARG 55 -7.128 -16.565 3.514 449 HH21 ARG 55 1HH2 ARG 55 -6.506 -13.753 5.523 450 HH22 ARG 55 2HH2 ARG 55 -7.104 -15.401 5.497 451 H PHE 56 H PHE 56 -6.147 -10.626 -2.879 452 HA PHE 56 HA PHE 56 -8.035 -9.082 -1.481 453 HB2 PHE 56 1HB PHE 56 -7.014 -8.400 -3.643 454 HB3 PHE 56 2HB PHE 56 -7.973 -9.643 -4.478 455 HD1 PHE 56 1HD PHE 56 -8.142 -6.476 -2.595 456 HD2 PHE 56 2HD PHE 56 -10.218 -9.290 -5.050 457 HE1 PHE 56 1HE PHE 56 -9.984 -4.854 -2.894 458 HE2 PHE 56 2HE PHE 56 -12.060 -7.670 -5.352 459 HZ PHE 56 HZ PHE 56 -11.944 -5.451 -4.272 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 -9.461 14.677 1.027 2 H2 ASN 1 2H ASN 1 -8.599 15.869 1.318 3 H3 ASN 1 H ASN 1 -8.644 15.278 -0.091 4 H3 ASN 1 3H ASN 1 -8.654 15.305 -0.070 5 HA ASN 1 HA ASN 1 -6.738 14.583 1.892 6 HB2 ASN 1 1HB ASN 1 -8.421 12.058 1.228 7 HB3 ASN 1 2HB ASN 1 -6.873 12.451 2.013 8 HD21 ASN 1 2HD2 ASN 1 -10.211 12.072 2.392 9 HD22 ASN 1 1HD2 ASN 1 -10.344 12.622 4.029 10 H GLY 2 H GLY 2 -4.933 13.528 1.092 11 HA2 GLY 2 1HA GLY 2 -3.632 12.507 -0.609 12 HA3 GLY 2 2HA GLY 2 -4.953 12.777 -1.770 13 H ASP 3 H ASP 3 -4.039 15.394 0.311 14 HA ASP 3 HA ASP 3 -3.287 17.057 -1.957 15 HB2 ASP 3 1HB ASP 3 -3.166 17.585 1.073 16 HB3 ASP 3 2HB ASP 3 -2.670 18.636 -0.276 17 H LYS 4 H LYS 4 -1.319 18.203 -2.224 18 HA LYS 4 HA LYS 4 1.032 16.568 -2.110 19 HB2 LYS 4 1HB LYS 4 0.671 18.442 -3.671 20 HB3 LYS 4 2HB LYS 4 0.801 19.575 -2.305 21 HG2 LYS 4 1HG LYS 4 3.114 18.927 -1.931 22 HG3 LYS 4 2HG LYS 4 3.001 17.682 -3.198 23 HD2 LYS 4 1HD LYS 4 2.646 19.392 -4.897 24 HD3 LYS 4 2HD LYS 4 2.640 20.663 -3.651 25 HE2 LYS 4 1HE LYS 4 4.957 20.175 -3.092 26 HE3 LYS 4 2HE LYS 4 4.977 18.826 -4.251 27 HZ1 LYS 4 3HZ LYS 4 4.604 21.670 -4.938 28 HZ2 LYS 4 1HZ LYS 4 5.988 20.801 -5.169 29 HZ3 LYS 4 2HZ LYS 4 4.623 20.419 -6.014 30 H GLY 5 H GLY 5 2.112 15.911 -0.443 31 HA2 GLY 5 1HA GLY 5 3.363 16.100 1.535 32 HA3 GLY 5 2HA GLY 5 2.815 17.784 1.708 33 H TYR 6 H TYR 6 0.569 15.157 1.119 34 HA TYR 6 HA TYR 6 -1.181 15.869 3.219 35 HB2 TYR 6 1HB TYR 6 -1.765 14.448 1.296 36 HB3 TYR 6 2HB TYR 6 -0.761 13.144 1.977 37 HD1 TYR 6 1HD TYR 6 -3.725 15.293 2.754 38 HD2 TYR 6 2HD TYR 6 -1.709 11.604 3.475 39 HE1 TYR 6 1HE TYR 6 -5.663 14.501 4.080 40 HE2 TYR 6 2HE TYR 6 -3.634 10.799 4.800 41 HH TYR 6 HH TYR 6 -6.617 12.710 5.144 42 H ASN 7 H ASN 7 -1.005 15.842 5.304 43 HA ASN 7 HA ASN 7 1.011 14.250 6.685 44 HB2 ASN 7 1HB ASN 7 -1.302 15.876 7.986 45 HB3 ASN 7 2HB ASN 7 0.042 14.855 8.555 46 HD21 ASN 7 2HD2 ASN 7 -0.658 17.781 8.791 47 HD22 ASN 7 1HD2 ASN 7 0.790 18.606 8.322 48 H GLY 8 H GLY 8 0.933 12.308 7.502 49 HA2 GLY 8 1HA GLY 8 -0.178 10.412 8.470 50 HA3 GLY 8 2HA GLY 8 -1.711 10.966 7.756 51 H LEU 9 H LEU 9 0.462 11.465 5.382 52 HA LEU 9 HA LEU 9 -0.375 9.214 3.795 53 HB2 LEU 9 1HB LEU 9 0.172 11.225 2.868 54 HB3 LEU 9 2HB LEU 9 1.863 11.273 3.420 55 HG LEU 9 HG LEU 9 2.315 9.244 2.028 56 HD11 LEU 9 1HD1 LEU 9 0.641 8.651 0.256 57 HD12 LEU 9 2HD1 LEU 9 -0.031 8.412 1.887 58 HD13 LEU 9 3HD1 LEU 9 -0.482 9.849 0.938 59 HD21 LEU 9 3HD2 LEU 9 2.893 11.452 1.213 60 HD22 LEU 9 1HD2 LEU 9 2.345 10.431 -0.138 61 HD23 LEU 9 2HD2 LEU 9 1.257 11.665 0.544 62 H ALA 10 H ALA 10 2.704 9.941 5.439 63 HA ALA 10 HA ALA 10 3.993 7.512 4.664 64 HB1 ALA 10 1HB ALA 10 5.543 7.990 6.520 65 HB2 ALA 10 2HB ALA 10 5.224 9.444 5.544 66 HB3 ALA 10 3HB ALA 10 4.431 9.240 7.124 67 H GLU 11 H GLU 11 1.837 8.305 7.343 68 HA GLU 11 HA GLU 11 2.161 5.791 8.738 69 HB2 GLU 11 1HB GLU 11 -0.068 7.827 8.662 70 HB3 GLU 11 2HB GLU 11 -0.062 6.393 9.718 71 HG2 GLU 11 1HG GLU 11 1.996 7.275 10.880 72 HG3 GLU 11 2HG GLU 11 1.973 8.582 9.674 73 H ALA 12 H ALA 12 -0.077 6.910 6.218 74 HA ALA 12 HA ALA 12 -1.589 4.476 6.102 75 HB1 ALA 12 1HB ALA 12 -2.303 5.282 3.886 76 HB2 ALA 12 2HB ALA 12 -2.388 6.573 5.109 77 HB3 ALA 12 3HB ALA 12 -1.046 6.540 3.941 78 H LYS 13 H LYS 13 1.362 5.554 4.454 79 HA LYS 13 HA LYS 13 1.629 3.219 2.782 80 HB2 LYS 13 1HB LYS 13 3.614 5.215 3.866 81 HB3 LYS 13 2HB LYS 13 4.050 3.895 2.756 82 HG2 LYS 13 1HG LYS 13 2.495 4.810 1.070 83 HG3 LYS 13 2HG LYS 13 2.093 6.144 2.177 84 HD2 LYS 13 1HD LYS 13 4.422 6.901 2.144 85 HD3 LYS 13 2HD LYS 13 4.862 5.543 1.081 86 HE2 LYS 13 1HE LYS 13 3.258 6.415 -0.615 87 HE3 LYS 13 2HE LYS 13 2.966 7.820 0.434 88 HZ1 LYS 13 3HZ LYS 13 5.566 7.071 -0.742 89 HZ2 LYS 13 1HZ LYS 13 4.597 8.301 -1.261 90 HZ3 LYS 13 2HZ LYS 13 5.295 8.375 0.232 91 H GLU 14 H GLU 14 2.708 3.979 6.068 92 HA GLU 14 HA GLU 14 4.288 1.605 6.435 93 HB2 GLU 14 1HB GLU 14 4.397 3.577 7.888 94 HB3 GLU 14 2HB GLU 14 2.737 3.249 8.444 95 HG2 GLU 14 1HG GLU 14 3.558 1.059 9.450 96 HG3 GLU 14 2HG GLU 14 5.145 1.509 8.784 97 H LYS 15 H LYS 15 0.856 2.297 7.072 98 HA LYS 15 HA LYS 15 0.340 -0.303 8.245 99 HB2 LYS 15 1HB LYS 15 -1.449 1.805 7.029 100 HB3 LYS 15 2HB LYS 15 -2.047 0.306 7.780 101 HG2 LYS 15 1HG LYS 15 -1.048 0.967 9.923 102 HG3 LYS 15 2HG LYS 15 -0.418 2.455 9.178 103 HD2 LYS 15 1HD LYS 15 -2.737 3.159 8.665 104 HD3 LYS 15 2HD LYS 15 -3.344 1.693 9.471 105 HE2 LYS 15 1HE LYS 15 -2.313 2.414 11.577 106 HE3 LYS 15 2HE LYS 15 -1.683 3.871 10.776 107 HZ1 LYS 15 3HZ LYS 15 -4.535 3.198 11.115 108 HZ2 LYS 15 1HZ LYS 15 -3.705 4.326 11.988 109 HZ3 LYS 15 2HZ LYS 15 -3.951 4.551 10.373 110 H ALA 16 H ALA 16 0.008 1.027 4.972 111 HA ALA 16 HA ALA 16 -1.238 -1.303 3.858 112 HB1 ALA 16 1HB ALA 16 -0.542 -0.367 1.687 113 HB2 ALA 16 2HB ALA 16 -1.272 0.876 2.730 114 HB3 ALA 16 3HB ALA 16 0.494 0.808 2.527 115 H ILE 17 H ILE 17 2.171 -0.288 4.066 116 HA ILE 17 HA ILE 17 3.170 -2.671 2.714 117 HB ILE 17 HB ILE 17 4.506 -0.587 4.496 118 HG12 ILE 17 1HG1 ILE 17 4.794 -1.069 1.546 119 HG13 ILE 17 2HG1 ILE 17 3.643 0.082 2.261 120 HG21 ILE 17 1HG2 ILE 17 6.647 -1.577 3.756 121 HG22 ILE 17 2HG2 ILE 17 5.681 -2.754 4.677 122 HG23 ILE 17 3HG2 ILE 17 5.759 -2.861 2.902 123 HD11 ILE 17 3HD1 ILE 17 6.664 0.168 2.568 124 HD12 ILE 17 1HD1 ILE 17 5.695 1.224 1.517 125 HD13 ILE 17 2HD1 ILE 17 5.512 1.319 3.285 126 H LYS 18 H LYS 18 2.560 -1.822 6.074 127 HA LYS 18 HA LYS 18 3.841 -4.013 7.321 128 HB2 LYS 18 1HB LYS 18 2.799 -2.152 8.514 129 HB3 LYS 18 2HB LYS 18 1.194 -2.721 7.998 130 HG2 LYS 18 1HG LYS 18 1.487 -4.782 9.284 131 HG3 LYS 18 2HG LYS 18 3.122 -4.267 9.764 132 HD2 LYS 18 1HD LYS 18 2.186 -2.333 10.943 133 HD3 LYS 18 2HD LYS 18 0.547 -2.798 10.429 134 HE2 LYS 18 1HE LYS 18 0.755 -4.911 11.665 135 HE3 LYS 18 2HE LYS 18 2.397 -4.455 12.174 136 HZ1 LYS 18 3HZ LYS 18 -0.077 -3.005 12.866 137 HZ2 LYS 18 1HZ LYS 18 0.776 -3.987 13.881 138 HZ3 LYS 18 2HZ LYS 18 1.447 -2.580 13.338 139 H ASP 19 H ASP 19 0.497 -3.854 6.066 140 HA ASP 19 HA ASP 19 -0.082 -6.619 6.619 141 HB2 ASP 19 1HB ASP 19 -1.365 -4.650 4.632 142 HB3 ASP 19 2HB ASP 19 -1.774 -6.356 4.939 143 H LEU 20 H LEU 20 1.261 -4.968 3.787 144 HA LEU 20 HA LEU 20 1.262 -7.253 2.055 145 HB2 LEU 20 1HB LEU 20 2.911 -4.838 2.331 146 HB3 LEU 20 2HB LEU 20 3.234 -5.913 0.952 147 HG LEU 20 HG LEU 20 0.633 -4.438 1.518 148 HD11 LEU 20 1HD1 LEU 20 1.207 -3.158 -0.563 149 HD12 LEU 20 2HD1 LEU 20 2.456 -2.953 0.687 150 HD13 LEU 20 3HD1 LEU 20 2.736 -4.061 -0.677 151 HD21 LEU 20 3HD2 LEU 20 0.228 -6.592 0.482 152 HD22 LEU 20 1HD2 LEU 20 -0.092 -5.287 -0.686 153 HD23 LEU 20 2HD2 LEU 20 1.413 -6.233 -0.796 154 H LYS 21 H LYS 21 3.542 -6.143 4.513 155 HA LYS 21 HA LYS 21 5.514 -8.204 3.861 156 HB2 LYS 21 1HB LYS 21 5.124 -6.289 6.154 157 HB3 LYS 21 2HB LYS 21 6.404 -7.527 6.147 158 HG2 LYS 21 1HG LYS 21 7.281 -6.540 4.030 159 HG3 LYS 21 2HG LYS 21 6.064 -5.250 4.167 160 HD2 LYS 21 1HD LYS 21 7.022 -4.490 6.256 161 HD3 LYS 21 2HD LYS 21 8.152 -5.866 6.281 162 HE2 LYS 21 1HE LYS 21 9.215 -5.036 4.229 163 HE3 LYS 21 2HE LYS 21 8.083 -3.666 4.193 164 HZ1 LYS 21 3HZ LYS 21 10.053 -4.205 6.321 165 HZ2 LYS 21 1HZ LYS 21 10.195 -3.048 5.154 166 HZ3 LYS 21 2HZ LYS 21 9.003 -2.934 6.288 167 H ILE 22 H ILE 22 2.783 -7.901 6.058 168 HA ILE 22 HA ILE 22 3.258 -10.361 7.508 169 HB ILE 22 HB ILE 22 0.719 -8.808 6.851 170 HG12 ILE 22 1HG1 ILE 22 2.127 -9.180 9.476 171 HG13 ILE 22 2HG1 ILE 22 2.432 -7.823 8.367 172 HG21 ILE 22 1HG2 ILE 22 -0.409 -10.258 8.504 173 HG22 ILE 22 2HG2 ILE 22 0.188 -11.208 7.123 174 HG23 ILE 22 3HG2 ILE 22 1.074 -11.229 8.665 175 HD11 ILE 22 3HD1 ILE 22 -0.233 -8.495 9.662 176 HD12 ILE 22 1HD1 ILE 22 0.859 -7.177 10.148 177 HD13 ILE 22 2HD1 ILE 22 0.072 -7.138 8.552 178 H TYR 23 H TYR 23 1.622 -9.672 4.449 179 HA TYR 23 HA TYR 23 0.944 -12.486 4.028 180 HB2 TYR 23 1HB TYR 23 1.063 -10.098 2.177 181 HB3 TYR 23 2HB TYR 23 0.506 -11.721 1.703 182 HD1 TYR 23 2HD TYR 23 -1.275 -12.670 3.611 183 HD2 TYR 23 1HD TYR 23 -0.677 -8.597 2.500 184 HE1 TYR 23 2HE TYR 23 -3.553 -12.131 4.402 185 HE2 TYR 23 1HE TYR 23 -2.958 -8.038 3.289 186 HH TYR 23 HH TYR 23 -5.126 -10.507 4.677 187 H GLY 24 H GLY 24 3.683 -10.417 3.348 188 HA2 GLY 24 1HA GLY 24 5.875 -11.250 3.065 189 HA3 GLY 24 2HA GLY 24 5.209 -12.854 2.681 190 H ILE 25 H ILE 25 4.124 -9.837 1.207 191 HA ILE 25 HA ILE 25 4.548 -10.898 -1.480 192 HB ILE 25 HB ILE 25 2.752 -9.161 -0.670 193 HG12 ILE 25 1HG1 ILE 25 4.262 -8.533 -3.187 194 HG13 ILE 25 2HG1 ILE 25 3.235 -9.972 -2.981 195 HG21 ILE 25 1HG2 ILE 25 3.459 -6.813 -0.980 196 HG22 ILE 25 2HG2 ILE 25 4.363 -7.584 0.343 197 HG23 ILE 25 3HG2 ILE 25 5.134 -7.351 -1.243 198 HD11 ILE 25 3HD1 ILE 25 2.316 -7.084 -2.755 199 HD12 ILE 25 1HD1 ILE 25 2.017 -8.167 -4.133 200 HD13 ILE 25 2HD1 ILE 25 1.290 -8.523 -2.548 201 H GLY 26 H GLY 26 5.813 -10.121 -3.130 202 HA2 GLY 26 1HA GLY 26 8.546 -9.750 -2.424 203 HA3 GLY 26 2HA GLY 26 7.842 -9.489 -4.037 204 H GLU 27 H GLU 27 9.935 -7.945 -2.773 205 HA GLU 27 HA GLU 27 8.895 -5.561 -1.532 206 HB2 GLU 27 1HB GLU 27 11.493 -6.187 -2.934 207 HB3 GLU 27 2HB GLU 27 11.145 -4.625 -2.152 208 HG2 GLU 27 1HG GLU 27 10.901 -5.830 0.068 209 HG3 GLU 27 2HG GLU 27 11.179 -7.321 -0.860 210 H HIS 28 H HIS 28 9.212 -6.556 -4.844 211 HA HIS 28 HA HIS 28 9.175 -4.097 -6.202 212 HB2 HIS 28 1HB HIS 28 9.259 -6.191 -7.444 213 HB3 HIS 28 2HB HIS 28 7.660 -6.670 -6.825 214 HD2 HIS 28 2HD HIS 28 5.485 -5.810 -8.432 215 HE1 HIS 28 1HE HIS 28 7.841 -3.284 -10.904 216 H TYR 29 H TYR 29 6.502 -5.749 -4.563 217 HA TYR 29 HA TYR 29 4.582 -3.710 -5.509 218 HB2 TYR 29 1HB TYR 29 4.304 -6.078 -3.647 219 HB3 TYR 29 2HB TYR 29 2.974 -5.009 -4.157 220 HD1 TYR 29 2HD TYR 29 2.198 -5.035 -6.509 221 HD2 TYR 29 1HD TYR 29 5.162 -7.773 -5.130 222 HE1 TYR 29 2HE TYR 29 1.838 -6.423 -8.522 223 HE2 TYR 29 1HE TYR 29 4.813 -9.177 -7.141 224 HH TYR 29 HH TYR 29 2.439 -8.304 -9.657 225 H ILE 30 H ILE 30 6.419 -4.466 -2.618 226 HA ILE 30 HA ILE 30 5.138 -2.519 -0.898 227 HB ILE 30 HB ILE 30 7.956 -3.682 -0.960 228 HG12 ILE 30 1HG1 ILE 30 5.710 -4.128 0.985 229 HG13 ILE 30 2HG1 ILE 30 6.038 -5.159 -0.427 230 HG21 ILE 30 1HG2 ILE 30 8.251 -2.670 1.276 231 HG22 ILE 30 2HG2 ILE 30 8.000 -1.420 0.036 232 HG23 ILE 30 3HG2 ILE 30 6.668 -1.872 1.125 233 HD11 ILE 30 3HD1 ILE 30 7.944 -4.651 1.885 234 HD12 ILE 30 1HD1 ILE 30 6.992 -6.132 1.625 235 HD13 ILE 30 2HD1 ILE 30 8.272 -5.683 0.473 236 H LYS 31 H LYS 31 7.666 -2.265 -3.337 237 HA LYS 31 HA LYS 31 8.372 0.461 -2.702 238 HB2 LYS 31 1HB LYS 31 8.606 -1.201 -5.210 239 HB3 LYS 31 2HB LYS 31 9.215 0.464 -5.072 240 HG2 LYS 31 1HG LYS 31 10.738 -0.216 -3.282 241 HG3 LYS 31 2HG LYS 31 10.099 -1.875 -3.349 242 HD2 LYS 31 1HD LYS 31 10.881 -2.074 -5.683 243 HD3 LYS 31 2HD LYS 31 11.541 -0.423 -5.595 244 HE2 LYS 31 1HE LYS 31 13.037 -1.117 -3.773 245 HE3 LYS 31 2HE LYS 31 12.377 -2.766 -3.856 246 HZ1 LYS 31 3HZ LYS 31 13.831 -1.390 -6.024 247 HZ2 LYS 31 1HZ LYS 31 14.448 -2.575 -5.057 248 HZ3 LYS 31 2HZ LYS 31 13.219 -2.920 -6.102 249 H LEU 32 H LEU 32 5.852 -0.989 -4.681 250 HA LEU 32 HA LEU 32 5.029 1.343 -6.089 251 HB2 LEU 32 1HB LEU 32 3.599 -0.970 -4.966 252 HB3 LEU 32 2HB LEU 32 2.721 0.137 -6.047 253 HG LEU 32 HG LEU 32 5.146 -1.550 -6.778 254 HD11 LEU 32 1HD1 LEU 32 3.532 -2.761 -8.266 255 HD12 LEU 32 2HD1 LEU 32 3.045 -2.875 -6.559 256 HD13 LEU 32 3HD1 LEU 32 2.216 -1.736 -7.647 257 HD21 LEU 32 3HD2 LEU 32 5.151 0.571 -7.951 258 HD22 LEU 32 1HD2 LEU 32 4.757 -0.746 -9.081 259 HD23 LEU 32 2HD2 LEU 32 3.468 0.321 -8.472 260 H ILE 33 H ILE 33 4.069 0.154 -2.873 261 HA ILE 33 HA ILE 33 2.305 2.387 -2.312 262 HB ILE 33 HB ILE 33 3.832 0.514 -0.446 263 HG12 ILE 33 1HG1 ILE 33 2.295 -0.647 -1.870 264 HG13 ILE 33 2HG1 ILE 33 1.746 -0.640 -0.178 265 HG21 ILE 33 1HG2 ILE 33 2.240 1.284 1.281 266 HG22 ILE 33 2HG2 ILE 33 3.220 2.636 0.666 267 HG23 ILE 33 3HG2 ILE 33 1.538 2.436 0.121 268 HD11 ILE 33 3HD1 ILE 33 0.681 1.138 -2.401 269 HD12 ILE 33 1HD1 ILE 33 -0.139 -0.289 -1.727 270 HD13 ILE 33 2HD1 ILE 33 0.133 1.146 -0.709 271 H GLU 34 H GLU 34 5.750 1.839 -1.751 272 HA GLU 34 HA GLU 34 6.156 4.240 -0.216 273 HB2 GLU 34 1HB GLU 34 7.987 2.571 -1.939 274 HB3 GLU 34 2HB GLU 34 8.531 3.973 -0.985 275 HG2 GLU 34 1HG GLU 34 7.770 2.765 1.127 276 HG3 GLU 34 2HG GLU 34 7.250 1.469 0.026 277 H LYS 35 H LYS 35 5.870 3.633 -3.646 278 HA LYS 35 HA LYS 35 7.033 6.296 -4.281 279 HB2 LYS 35 1HB LYS 35 6.100 3.992 -5.996 280 HB3 LYS 35 2HB LYS 35 6.712 5.539 -6.629 281 HG2 LYS 35 1HG LYS 35 8.886 5.125 -5.562 282 HG3 LYS 35 2HG LYS 35 8.276 3.588 -4.904 283 HD2 LYS 35 1HD LYS 35 7.896 2.773 -7.211 284 HD3 LYS 35 2HD LYS 35 8.562 4.297 -7.844 285 HE2 LYS 35 1HE LYS 35 10.699 3.816 -6.694 286 HE3 LYS 35 2HE LYS 35 10.029 2.268 -6.130 287 HZ1 LYS 35 3HZ LYS 35 10.421 3.041 -8.951 288 HZ2 LYS 35 1HZ LYS 35 11.370 1.991 -8.103 289 HZ3 LYS 35 2HZ LYS 35 9.799 1.606 -8.428 290 H ALA 36 H ALA 36 4.143 5.295 -3.235 291 HA ALA 36 HA ALA 36 2.366 6.617 -5.081 292 HB1 ALA 36 1HB ALA 36 0.737 6.508 -3.235 293 HB2 ALA 36 2HB ALA 36 1.564 4.951 -3.470 294 HB3 ALA 36 3HB ALA 36 2.034 6.013 -2.123 295 H LYS 37 H LYS 37 1.198 8.571 -4.773 296 HA LYS 37 HA LYS 37 2.874 10.652 -3.402 297 HB2 LYS 37 1HB LYS 37 1.172 10.866 -5.890 298 HB3 LYS 37 2HB LYS 37 2.032 12.208 -5.097 299 HG2 LYS 37 1HG LYS 37 4.184 11.114 -5.567 300 HG3 LYS 37 2HG LYS 37 3.330 9.765 -6.352 301 HD2 LYS 37 1HD LYS 37 2.402 11.330 -8.020 302 HD3 LYS 37 2HD LYS 37 3.280 12.669 -7.241 303 HE2 LYS 37 1HE LYS 37 5.412 11.596 -7.739 304 HE3 LYS 37 2HE LYS 37 4.567 10.204 -8.452 305 HZ1 LYS 37 3HZ LYS 37 4.474 12.970 -9.470 306 HZ2 LYS 37 1HZ LYS 37 5.338 11.734 -10.135 307 HZ3 LYS 37 2HZ LYS 37 3.690 11.679 -10.133 308 H GLN 38 H GLN 38 -0.232 9.202 -3.700 309 HA GLN 38 HA GLN 38 -1.325 11.298 -1.859 310 HB2 GLN 38 1HB GLN 38 -2.786 9.825 -4.062 311 HB3 GLN 38 2HB GLN 38 -3.517 10.945 -2.888 312 HG2 GLN 38 1HG GLN 38 -1.910 12.838 -4.057 313 HG3 GLN 38 2HG GLN 38 -1.585 11.359 -4.989 314 HE21 GLN 38 2HE2 GLN 38 -4.007 13.807 -4.163 315 HE22 GLN 38 1HE2 GLN 38 -5.024 13.539 -5.539 316 H VAL 39 H VAL 39 -2.831 10.646 -0.331 317 HA VAL 39 HA VAL 39 -2.443 7.982 0.766 318 HB VAL 39 HB VAL 39 -3.122 10.087 2.067 319 HG11 VAL 39 1HG1 VAL 39 -5.552 10.533 2.183 320 HG12 VAL 39 2HG1 VAL 39 -4.926 10.821 0.543 321 HG13 VAL 39 3HG1 VAL 39 -5.834 9.333 0.901 322 HG21 VAL 39 3HG2 VAL 39 -3.129 7.875 3.054 323 HG22 VAL 39 1HG2 VAL 39 -4.512 8.830 3.635 324 HG23 VAL 39 2HG2 VAL 39 -4.757 7.568 2.403 325 H ALA 40 H ALA 40 -4.781 9.357 -1.451 326 HA ALA 40 HA ALA 40 -6.479 7.014 -1.462 327 HB1 ALA 40 1HB ALA 40 -7.351 7.945 -3.571 328 HB2 ALA 40 2HB ALA 40 -7.266 9.183 -2.296 329 HB3 ALA 40 3HB ALA 40 -6.037 9.143 -3.583 330 H ALA 41 H ALA 41 -3.593 8.000 -3.253 331 HA ALA 41 HA ALA 41 -3.629 5.816 -5.112 332 HB1 ALA 41 1HB ALA 41 -1.251 6.362 -5.460 333 HB2 ALA 41 2HB ALA 41 -2.265 7.824 -5.468 334 HB3 ALA 41 3HB ALA 41 -1.288 7.425 -4.035 335 H VAL 42 H VAL 42 -2.296 6.188 -1.854 336 HA VAL 42 HA VAL 42 -0.909 3.661 -1.730 337 HB VAL 42 HB VAL 42 -2.247 5.336 0.434 338 HG11 VAL 42 1HG1 VAL 42 -0.940 3.969 2.026 339 HG12 VAL 42 2HG1 VAL 42 -2.094 2.965 1.115 340 HG13 VAL 42 3HG1 VAL 42 -0.367 2.952 0.683 341 HG21 VAL 42 3HG2 VAL 42 -0.398 6.455 -0.661 342 HG22 VAL 42 1HG2 VAL 42 0.039 5.986 0.999 343 HG23 VAL 42 2HG2 VAL 42 0.648 5.041 -0.382 344 H GLU 43 H GLU 43 -4.265 4.523 -0.926 345 HA GLU 43 HA GLU 43 -4.920 1.821 -0.089 346 HB2 GLU 43 1HB GLU 43 -6.604 4.187 -0.914 347 HB3 GLU 43 2HB GLU 43 -7.269 2.642 -0.330 348 HG2 GLU 43 1HG GLU 43 -6.137 3.013 1.894 349 HG3 GLU 43 2HG GLU 43 -5.411 4.456 1.150 350 H ASP 44 H ASP 44 -5.300 3.636 -3.115 351 HA ASP 44 HA ASP 44 -6.793 1.589 -4.485 352 HB2 ASP 44 1HB ASP 44 -5.029 3.864 -5.574 353 HB3 ASP 44 2HB ASP 44 -5.948 2.629 -6.471 354 H LEU 45 H LEU 45 -3.310 2.259 -4.248 355 HA LEU 45 HA LEU 45 -2.506 0.086 -5.958 356 HB2 LEU 45 1HB LEU 45 -1.308 1.606 -3.754 357 HB3 LEU 45 2HB LEU 45 -0.303 0.356 -4.522 358 HG LEU 45 HG LEU 45 -1.513 2.763 -5.935 359 HD11 LEU 45 1HD1 LEU 45 0.853 3.587 -6.065 360 HD12 LEU 45 2HD1 LEU 45 0.323 3.409 -4.376 361 HD13 LEU 45 3HD1 LEU 45 1.379 2.179 -5.113 362 HD21 LEU 45 3HD2 LEU 45 -1.276 0.841 -7.393 363 HD22 LEU 45 1HD2 LEU 45 -0.078 2.083 -7.827 364 HD23 LEU 45 2HD2 LEU 45 0.425 0.644 -6.905 365 H LYS 46 H LYS 46 -2.859 0.320 -2.417 366 HA LYS 46 HA LYS 46 -1.873 -2.247 -1.775 367 HB2 LYS 46 1HB LYS 46 -2.411 -0.476 -0.154 368 HB3 LYS 46 2HB LYS 46 -4.144 -0.738 -0.470 369 HG2 LYS 46 1HG LYS 46 -3.925 -3.060 0.367 370 HG3 LYS 46 2HG LYS 46 -2.211 -2.749 0.734 371 HD2 LYS 46 1HD LYS 46 -2.926 -0.893 2.247 372 HD3 LYS 46 2HD LYS 46 -4.620 -1.355 1.952 373 HE2 LYS 46 1HE LYS 46 -4.173 -3.592 2.861 374 HE3 LYS 46 2HE LYS 46 -2.476 -3.140 3.148 375 HZ1 LYS 46 3HZ LYS 46 -4.824 -1.879 4.414 376 HZ2 LYS 46 1HZ LYS 46 -3.798 -2.945 5.143 377 HZ3 LYS 46 2HZ LYS 46 -3.251 -1.459 4.680 378 H ASP 47 H ASP 47 -5.190 -1.296 -2.659 379 HA ASP 47 HA ASP 47 -6.339 -3.886 -2.188 380 HB2 ASP 47 1HB ASP 47 -7.287 -1.586 -4.002 381 HB3 ASP 47 2HB ASP 47 -8.056 -3.159 -3.675 382 H GLU 48 H GLU 48 -5.156 -2.355 -5.187 383 HA GLU 48 HA GLU 48 -5.804 -4.684 -6.804 384 HB2 GLU 48 1HB GLU 48 -4.002 -2.307 -7.292 385 HB3 GLU 48 2HB GLU 48 -4.409 -3.545 -8.505 386 HG2 GLU 48 1HG GLU 48 -6.366 -1.541 -7.231 387 HG3 GLU 48 2HG GLU 48 -5.705 -1.631 -8.879 388 H ILE 49 H ILE 49 -2.951 -3.589 -5.058 389 HA ILE 49 HA ILE 49 -1.142 -5.582 -6.126 390 HB ILE 49 HB ILE 49 -1.208 -4.024 -3.509 391 HG12 ILE 49 1HG1 ILE 49 0.695 -3.851 -5.826 392 HG13 ILE 49 2HG1 ILE 49 -0.770 -2.854 -5.658 393 HG21 ILE 49 1HG2 ILE 49 1.075 -4.879 -3.108 394 HG22 ILE 49 2HG2 ILE 49 -0.110 -6.205 -3.134 395 HG23 ILE 49 3HG2 ILE 49 0.938 -5.921 -4.543 396 HD11 ILE 49 3HD1 ILE 49 1.568 -2.924 -3.717 397 HD12 ILE 49 1HD1 ILE 49 1.231 -1.634 -4.895 398 HD13 ILE 49 2HD1 ILE 49 0.105 -1.926 -3.548 399 H LEU 50 H LEU 50 -3.297 -5.589 -3.307 400 HA LEU 50 HA LEU 50 -2.516 -8.223 -2.441 401 HB2 LEU 50 1HB LEU 50 -4.898 -6.531 -2.135 402 HB3 LEU 50 2HB LEU 50 -4.858 -8.080 -1.263 403 HG LEU 50 HG LEU 50 -2.913 -5.767 -0.900 404 HD11 LEU 50 1HD1 LEU 50 -3.967 -5.567 1.368 405 HD12 LEU 50 2HD1 LEU 50 -5.164 -5.318 0.075 406 HD13 LEU 50 3HD1 LEU 50 -5.098 -6.872 0.941 407 HD21 LEU 50 3HD2 LEU 50 -1.834 -7.914 -0.575 408 HD22 LEU 50 1HD2 LEU 50 -2.025 -7.086 0.989 409 HD23 LEU 50 2HD2 LEU 50 -3.117 -8.422 0.548 410 H LYS 51 H LYS 51 -4.962 -7.055 -4.704 411 HA LYS 51 HA LYS 51 -6.226 -9.593 -5.168 412 HB2 LYS 51 1HB LYS 51 -5.846 -7.147 -6.894 413 HB3 LYS 51 2HB LYS 51 -6.791 -8.569 -7.395 414 HG2 LYS 51 1HG LYS 51 -8.335 -8.233 -5.531 415 HG3 LYS 51 2HG LYS 51 -7.365 -6.858 -4.951 416 HD2 LYS 51 1HD LYS 51 -7.793 -5.725 -7.152 417 HD3 LYS 51 2HD LYS 51 -8.907 -7.052 -7.559 418 HE2 LYS 51 1HE LYS 51 -10.297 -6.520 -5.633 419 HE3 LYS 51 2HE LYS 51 -9.158 -5.250 -5.133 420 HZ1 LYS 51 3HZ LYS 51 -10.723 -5.260 -7.634 421 HZ2 LYS 51 1HZ LYS 51 -11.047 -4.339 -6.303 422 HZ3 LYS 51 2HZ LYS 51 -9.667 -4.081 -7.169 423 H ALA 52 H ALA 52 -3.448 -8.011 -6.737 424 HA ALA 52 HA ALA 52 -2.945 -10.157 -8.574 425 HB1 ALA 52 1HB ALA 52 -0.709 -9.143 -8.801 426 HB2 ALA 52 2HB ALA 52 -1.994 -7.914 -8.875 427 HB3 ALA 52 3HB ALA 52 -1.036 -8.112 -7.389 428 H HIS 53 H HIS 53 -2.004 -9.581 -5.227 429 HA HIS 53 HA HIS 53 -0.097 -11.796 -5.168 430 HB2 HIS 53 1HB HIS 53 -0.045 -9.740 -3.634 431 HB3 HIS 53 2HB HIS 53 -1.429 -10.463 -2.779 432 HD2 HIS 53 2HD HIS 53 0.934 -13.382 -3.597 433 HE1 HIS 53 1HE HIS 53 2.095 -11.801 0.171 434 H ASP 54 H ASP 54 -3.476 -11.602 -5.152 435 HA ASP 54 HA ASP 54 -5.155 -13.101 -4.573 436 HB2 ASP 54 1HB ASP 54 -2.913 -15.195 -4.331 437 HB3 ASP 54 2HB ASP 54 -4.688 -15.343 -4.377 438 H ARG 55 H ARG 55 -4.113 -11.420 -2.598 439 HA ARG 55 HA ARG 55 -4.711 -13.123 -0.203 440 HB2 ARG 55 1HB ARG 55 -2.712 -10.908 -0.321 441 HB3 ARG 55 2HB ARG 55 -3.284 -11.742 1.143 442 HG2 ARG 55 1HG ARG 55 -1.876 -13.112 -1.166 443 HG3 ARG 55 2HG ARG 55 -1.054 -12.525 0.300 444 HD2 ARG 55 1HD ARG 55 -2.413 -14.022 1.642 445 HD3 ARG 55 2HD ARG 55 -3.196 -14.624 0.163 446 HE ARG 55 HE ARG 55 -0.447 -15.406 1.034 447 HH11 ARG 55 1HH1 ARG 55 -2.841 -15.464 -1.502 448 HH12 ARG 55 2HH1 ARG 55 -1.982 -16.772 -2.290 449 HH21 ARG 55 1HH2 ARG 55 0.543 -16.909 0.147 450 HH22 ARG 55 2HH2 ARG 55 -0.053 -17.598 -1.351 451 H PHE 56 H PHE 56 -5.813 -10.773 -2.189 452 HA PHE 56 HA PHE 56 -6.741 -8.741 -0.402 453 HB2 PHE 56 1HB PHE 56 -6.764 -8.557 -2.903 454 HB3 PHE 56 2HB PHE 56 -8.082 -9.750 -2.947 455 HD1 PHE 56 1HD PHE 56 -7.147 -6.385 -1.699 456 HD2 PHE 56 2HD PHE 56 -10.290 -9.111 -2.670 457 HE1 PHE 56 1HE PHE 56 -8.801 -4.564 -1.453 458 HE2 PHE 56 2HE PHE 56 -11.946 -7.292 -2.427 459 HZ PHE 56 HZ PHE 56 -11.200 -5.018 -1.817 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 5.856 0.024 14.386 2 H2 ASN 1 2H ASN 1 5.176 1.121 15.151 3 H3 ASN 1 H ASN 1 4.527 -0.260 15.043 4 H3 ASN 1 3H ASN 1 4.544 -0.237 15.064 5 HA ASN 1 HA ASN 1 4.008 1.912 13.291 6 HB2 ASN 1 1HB ASN 1 5.387 -0.382 11.703 7 HB3 ASN 1 2HB ASN 1 4.319 0.993 11.330 8 HD21 ASN 1 2HD2 ASN 1 7.163 0.260 10.642 9 HD22 ASN 1 1HD2 ASN 1 8.076 1.681 11.026 10 H GLY 2 H GLY 2 2.109 1.721 12.176 11 HA2 GLY 2 1HA GLY 2 0.307 0.466 11.223 12 HA3 GLY 2 2HA GLY 2 0.766 -0.931 12.224 13 H ASP 3 H ASP 3 0.748 2.159 13.762 14 HA ASP 3 HA ASP 3 -1.383 1.318 15.577 15 HB2 ASP 3 1HB ASP 3 0.201 3.950 15.380 16 HB3 ASP 3 2HB ASP 3 -1.125 3.510 16.484 17 H LYS 4 H LYS 4 -3.262 2.553 16.087 18 HA LYS 4 HA LYS 4 -4.693 3.359 13.647 19 HB2 LYS 4 1HB LYS 4 -5.476 3.262 16.564 20 HB3 LYS 4 2HB LYS 4 -6.565 3.740 15.241 21 HG2 LYS 4 1HG LYS 4 -6.325 1.511 14.231 22 HG3 LYS 4 2HG LYS 4 -5.229 1.030 15.548 23 HD2 LYS 4 1HD LYS 4 -7.027 1.380 17.185 24 HD3 LYS 4 2HD LYS 4 -8.125 1.883 15.878 25 HE2 LYS 4 1HE LYS 4 -7.917 -0.329 14.840 26 HE3 LYS 4 2HE LYS 4 -6.803 -0.835 16.129 27 HZ1 LYS 4 3HZ LYS 4 -9.622 -0.054 16.509 28 HZ2 LYS 4 1HZ LYS 4 -9.043 -1.598 16.539 29 HZ3 LYS 4 2HZ LYS 4 -8.589 -0.524 17.706 30 H GLY 5 H GLY 5 -5.766 5.322 13.321 31 HA2 GLY 5 1HA GLY 5 -6.173 7.625 13.770 32 HA3 GLY 5 2HA GLY 5 -4.854 7.618 14.963 33 H TYR 6 H TYR 6 -4.103 6.008 12.046 34 HA TYR 6 HA TYR 6 -2.083 7.963 11.318 35 HB2 TYR 6 1HB TYR 6 -3.177 5.457 10.057 36 HB3 TYR 6 2HB TYR 6 -2.009 6.501 9.210 37 HD1 TYR 6 1HD TYR 6 -1.127 6.940 12.476 38 HD2 TYR 6 2HD TYR 6 -1.065 3.875 9.512 39 HE1 TYR 6 1HE TYR 6 0.735 5.828 13.675 40 HE2 TYR 6 2HE TYR 6 0.792 2.753 10.696 41 HH TYR 6 HH TYR 6 2.324 4.170 13.573 42 H ASN 7 H ASN 7 -2.378 9.809 10.384 43 HA ASN 7 HA ASN 7 -4.642 10.059 8.426 44 HB2 ASN 7 1HB ASN 7 -3.739 12.405 10.251 45 HB3 ASN 7 2HB ASN 7 -4.863 12.132 8.898 46 HD21 ASN 7 2HD2 ASN 7 -4.304 11.833 12.271 47 HD22 ASN 7 1HD2 ASN 7 -5.856 11.196 12.704 48 H GLY 8 H GLY 8 -1.283 10.398 9.036 49 HA2 GLY 8 1HA GLY 8 -0.819 12.336 6.891 50 HA3 GLY 8 2HA GLY 8 0.415 11.476 7.843 51 H LEU 9 H LEU 9 0.706 11.839 5.113 52 HA LEU 9 HA LEU 9 -0.221 9.577 3.575 53 HB2 LEU 9 1HB LEU 9 0.386 11.509 2.560 54 HB3 LEU 9 2HB LEU 9 2.057 11.581 3.164 55 HG LEU 9 HG LEU 9 2.553 9.493 1.884 56 HD11 LEU 9 1HD1 LEU 9 0.935 8.809 0.093 57 HD12 LEU 9 2HD1 LEU 9 0.215 8.647 1.712 58 HD13 LEU 9 3HD1 LEU 9 -0.212 10.035 0.682 59 HD21 LEU 9 3HD2 LEU 9 3.150 11.662 0.979 60 HD22 LEU 9 1HD2 LEU 9 2.646 10.574 -0.337 61 HD23 LEU 9 2HD2 LEU 9 1.536 11.836 0.252 62 H ALA 10 H ALA 10 2.993 10.288 4.977 63 HA ALA 10 HA ALA 10 4.098 7.736 4.380 64 HB1 ALA 10 1HB ALA 10 5.785 8.291 6.090 65 HB2 ALA 10 2HB ALA 10 5.470 9.669 5.011 66 HB3 ALA 10 3HB ALA 10 4.773 9.643 6.648 67 H GLU 11 H GLU 11 2.189 8.871 7.130 68 HA GLU 11 HA GLU 11 2.449 6.528 8.757 69 HB2 GLU 11 1HB GLU 11 0.223 8.541 8.429 70 HB3 GLU 11 2HB GLU 11 0.211 7.238 9.641 71 HG2 GLU 11 1HG GLU 11 2.271 8.238 10.710 72 HG3 GLU 11 2HG GLU 11 2.253 9.404 9.367 73 H ALA 12 H ALA 12 0.077 7.362 6.229 74 HA ALA 12 HA ALA 12 -1.359 4.887 6.432 75 HB1 ALA 12 1HB ALA 12 -2.278 5.493 4.228 76 HB2 ALA 12 2HB ALA 12 -2.308 6.873 5.350 77 HB3 ALA 12 3HB ALA 12 -1.065 6.785 4.079 78 H LYS 13 H LYS 13 1.481 5.881 4.586 79 HA LYS 13 HA LYS 13 1.639 3.550 2.912 80 HB2 LYS 13 1HB LYS 13 3.712 5.480 3.952 81 HB3 LYS 13 2HB LYS 13 4.084 4.152 2.827 82 HG2 LYS 13 1HG LYS 13 2.519 5.114 1.181 83 HG3 LYS 13 2HG LYS 13 2.168 6.449 2.304 84 HD2 LYS 13 1HD LYS 13 4.499 7.174 2.220 85 HD3 LYS 13 2HD LYS 13 4.907 5.798 1.166 86 HE2 LYS 13 1HE LYS 13 3.321 6.672 -0.532 87 HE3 LYS 13 2HE LYS 13 3.017 8.080 0.511 88 HZ1 LYS 13 3HZ LYS 13 5.625 7.341 -0.655 89 HZ2 LYS 13 1HZ LYS 13 4.651 8.563 -1.182 90 HZ3 LYS 13 2HZ LYS 13 5.344 8.648 0.313 91 H GLU 14 H GLU 14 2.826 4.227 6.177 92 HA GLU 14 HA GLU 14 4.525 1.903 6.338 93 HB2 GLU 14 1HB GLU 14 3.231 3.700 8.380 94 HB3 GLU 14 2HB GLU 14 4.227 2.296 8.835 95 HG2 GLU 14 1HG GLU 14 5.204 4.753 7.258 96 HG3 GLU 14 2HG GLU 14 5.491 4.286 8.949 97 H LYS 15 H LYS 15 1.158 2.494 7.314 98 HA LYS 15 HA LYS 15 0.905 -0.174 8.491 99 HB2 LYS 15 1HB LYS 15 -0.337 1.820 9.281 100 HB3 LYS 15 2HB LYS 15 -1.218 1.840 7.734 101 HG2 LYS 15 1HG LYS 15 -2.329 -0.200 8.221 102 HG3 LYS 15 2HG LYS 15 -1.233 -0.560 9.578 103 HD2 LYS 15 1HD LYS 15 -2.136 1.355 10.826 104 HD3 LYS 15 2HD LYS 15 -3.220 1.736 9.466 105 HE2 LYS 15 1HE LYS 15 -4.424 0.525 11.213 106 HE3 LYS 15 2HE LYS 15 -4.320 -0.443 9.723 107 HZ1 LYS 15 3HZ LYS 15 -2.603 -0.764 12.100 108 HZ2 LYS 15 1HZ LYS 15 -3.847 -1.760 11.674 109 HZ3 LYS 15 2HZ LYS 15 -2.506 -1.661 10.720 110 H ALA 16 H ALA 16 -0.066 1.384 5.455 111 HA ALA 16 HA ALA 16 -1.506 -0.829 4.390 112 HB1 ALA 16 1HB ALA 16 -1.062 0.200 2.195 113 HB2 ALA 16 2HB ALA 16 -1.578 1.412 3.392 114 HB3 ALA 16 3HB ALA 16 0.140 1.276 2.945 115 H ILE 17 H ILE 17 1.950 0.012 4.199 116 HA ILE 17 HA ILE 17 2.645 -2.352 2.636 117 HB ILE 17 HB ILE 17 4.292 -0.417 4.322 118 HG12 ILE 17 1HG1 ILE 17 4.225 -0.806 1.345 119 HG13 ILE 17 2HG1 ILE 17 3.222 0.375 2.218 120 HG21 ILE 17 1HG2 ILE 17 6.278 -1.490 3.314 121 HG22 ILE 17 2HG2 ILE 17 5.358 -2.648 4.302 122 HG23 ILE 17 3HG2 ILE 17 5.230 -2.694 2.528 123 HD11 ILE 17 3HD1 ILE 17 6.260 0.297 2.189 124 HD12 ILE 17 1HD1 ILE 17 5.238 1.439 1.285 125 HD13 ILE 17 2HD1 ILE 17 5.257 1.478 3.064 126 H LYS 18 H LYS 18 2.641 -1.599 6.091 127 HA LYS 18 HA LYS 18 3.876 -3.947 7.046 128 HB2 LYS 18 1HB LYS 18 3.221 -2.069 8.455 129 HB3 LYS 18 2HB LYS 18 1.506 -2.451 8.176 130 HG2 LYS 18 1HG LYS 18 1.870 -4.664 9.272 131 HG3 LYS 18 2HG LYS 18 3.536 -4.163 9.646 132 HD2 LYS 18 1HD LYS 18 2.714 -2.303 10.988 133 HD3 LYS 18 2HD LYS 18 1.035 -2.700 10.552 134 HE2 LYS 18 1HE LYS 18 1.373 -4.948 11.614 135 HE3 LYS 18 2HE LYS 18 2.959 -4.380 12.186 136 HZ1 LYS 18 3HZ LYS 18 0.356 -3.172 12.869 137 HZ2 LYS 18 1HZ LYS 18 1.263 -4.124 13.866 138 HZ3 LYS 18 2HZ LYS 18 1.826 -2.644 13.400 139 H ASP 19 H ASP 19 0.422 -3.450 6.286 140 HA ASP 19 HA ASP 19 -0.383 -6.114 6.964 141 HB2 ASP 19 1HB ASP 19 -1.650 -4.058 5.057 142 HB3 ASP 19 2HB ASP 19 -2.208 -5.702 5.455 143 H LEU 20 H LEU 20 0.759 -4.699 3.917 144 HA LEU 20 HA LEU 20 0.296 -7.061 2.336 145 HB2 LEU 20 1HB LEU 20 2.126 -4.766 2.177 146 HB3 LEU 20 2HB LEU 20 2.098 -5.919 0.822 147 HG LEU 20 HG LEU 20 -0.198 -4.165 1.777 148 HD11 LEU 20 1HD1 LEU 20 0.034 -3.110 -0.487 149 HD12 LEU 20 2HD1 LEU 20 1.535 -2.956 0.454 150 HD13 LEU 20 3HD1 LEU 20 1.410 -4.183 -0.829 151 HD21 LEU 20 3HD2 LEU 20 -1.017 -6.328 1.052 152 HD22 LEU 20 1HD2 LEU 20 -1.455 -5.083 -0.140 153 HD23 LEU 20 2HD2 LEU 20 -0.105 -6.196 -0.470 154 H LYS 21 H LYS 21 3.046 -5.959 4.269 155 HA LYS 21 HA LYS 21 4.816 -8.108 3.527 156 HB2 LYS 21 1HB LYS 21 4.586 -6.334 5.953 157 HB3 LYS 21 2HB LYS 21 5.827 -7.602 5.804 158 HG2 LYS 21 1HG LYS 21 6.662 -6.505 3.740 159 HG3 LYS 21 2HG LYS 21 5.461 -5.211 3.967 160 HD2 LYS 21 1HD LYS 21 6.478 -4.572 6.076 161 HD3 LYS 21 2HD LYS 21 7.608 -5.943 5.984 162 HE2 LYS 21 1HE LYS 21 8.617 -4.998 3.965 163 HE3 LYS 21 2HE LYS 21 7.466 -3.643 4.010 164 HZ1 LYS 21 3HZ LYS 21 9.489 -4.244 6.072 165 HZ2 LYS 21 1HZ LYS 21 9.591 -3.039 4.951 166 HZ3 LYS 21 2HZ LYS 21 8.422 -2.987 6.115 167 H ILE 22 H ILE 22 2.238 -7.836 5.920 168 HA ILE 22 HA ILE 22 2.732 -10.425 7.148 169 HB ILE 22 HB ILE 22 0.233 -8.688 6.941 170 HG12 ILE 22 1HG1 ILE 22 1.984 -9.256 9.312 171 HG13 ILE 22 2HG1 ILE 22 2.193 -7.859 8.232 172 HG21 ILE 22 1HG2 ILE 22 -0.723 -10.165 8.677 173 HG22 ILE 22 2HG2 ILE 22 -0.383 -11.070 7.184 174 HG23 ILE 22 3HG2 ILE 22 0.713 -11.211 8.578 175 HD11 ILE 22 3HD1 ILE 22 -0.284 -8.481 9.877 176 HD12 ILE 22 1HD1 ILE 22 0.930 -7.239 10.254 177 HD13 ILE 22 2HD1 ILE 22 -0.077 -7.084 8.795 178 H TYR 23 H TYR 23 0.800 -9.375 4.384 179 HA TYR 23 HA TYR 23 -0.388 -11.986 3.959 180 HB2 TYR 23 1HB TYR 23 -0.016 -9.540 2.233 181 HB3 TYR 23 2HB TYR 23 -0.781 -11.034 1.638 182 HD1 TYR 23 2HD TYR 23 -2.676 -11.953 3.347 183 HD2 TYR 23 1HD TYR 23 -1.467 -7.882 2.963 184 HE1 TYR 23 2HE TYR 23 -4.843 -11.232 4.290 185 HE2 TYR 23 1HE TYR 23 -3.633 -7.141 3.907 186 HH TYR 23 HH TYR 23 -6.149 -9.468 4.898 187 H GLY 24 H GLY 24 2.610 -10.459 2.965 188 HA2 GLY 24 1HA GLY 24 4.492 -12.003 2.610 189 HA3 GLY 24 2HA GLY 24 3.375 -13.081 1.742 190 H ILE 25 H ILE 25 3.216 -9.611 1.334 191 HA ILE 25 HA ILE 25 3.841 -9.861 -1.535 192 HB ILE 25 HB ILE 25 2.982 -7.607 0.299 193 HG12 ILE 25 1HG1 ILE 25 1.272 -7.376 -1.540 194 HG13 ILE 25 2HG1 ILE 25 1.882 -8.931 -2.154 195 HG21 ILE 25 1HG2 ILE 25 3.193 -6.047 -1.607 196 HG22 ILE 25 2HG2 ILE 25 4.780 -6.691 -1.128 197 HG23 ILE 25 3HG2 ILE 25 3.960 -7.330 -2.572 198 HD11 ILE 25 3HD1 ILE 25 0.706 -8.447 0.606 199 HD12 ILE 25 1HD1 ILE 25 -0.117 -9.251 -0.751 200 HD13 ILE 25 2HD1 ILE 25 1.316 -10.001 -0.008 201 H GLY 26 H GLY 26 5.562 -9.356 -2.626 202 HA2 GLY 26 1HA GLY 26 8.034 -9.111 -1.078 203 HA3 GLY 26 2HA GLY 26 7.889 -9.301 -2.840 204 H GLU 27 H GLU 27 9.766 -7.595 -2.046 205 HA GLU 27 HA GLU 27 8.880 -4.922 -1.429 206 HB2 GLU 27 1HB GLU 27 11.434 -6.025 -2.601 207 HB3 GLU 27 2HB GLU 27 11.184 -4.304 -2.217 208 HG2 GLU 27 1HG GLU 27 10.868 -4.928 0.221 209 HG3 GLU 27 2HG GLU 27 11.045 -6.613 -0.323 210 H HIS 28 H HIS 28 9.225 -6.691 -4.415 211 HA HIS 28 HA HIS 28 9.471 -4.601 -6.279 212 HB2 HIS 28 1HB HIS 28 9.495 -6.975 -6.948 213 HB3 HIS 28 2HB HIS 28 7.779 -7.131 -6.508 214 HD2 HIS 28 2HD HIS 28 5.981 -6.486 -8.604 215 HE1 HIS 28 1HE HIS 28 8.961 -4.835 -11.141 216 H TYR 29 H TYR 29 6.583 -5.686 -4.545 217 HA TYR 29 HA TYR 29 4.946 -3.678 -6.010 218 HB2 TYR 29 1HB TYR 29 4.209 -5.766 -3.949 219 HB3 TYR 29 2HB TYR 29 3.072 -4.687 -4.794 220 HD1 TYR 29 2HD TYR 29 2.751 -4.944 -7.267 221 HD2 TYR 29 1HD TYR 29 5.011 -7.757 -4.996 222 HE1 TYR 29 2HE TYR 29 2.559 -6.574 -9.116 223 HE2 TYR 29 1HE TYR 29 4.829 -9.404 -6.838 224 HH TYR 29 HH TYR 29 4.021 -9.829 -8.917 225 H ILE 30 H ILE 30 6.330 -4.297 -2.843 226 HA ILE 30 HA ILE 30 4.870 -2.312 -1.371 227 HB ILE 30 HB ILE 30 7.686 -3.432 -1.058 228 HG12 ILE 30 1HG1 ILE 30 5.224 -3.852 0.612 229 HG13 ILE 30 2HG1 ILE 30 5.728 -4.915 -0.723 230 HG21 ILE 30 1HG2 ILE 30 7.700 -2.363 1.171 231 HG22 ILE 30 2HG2 ILE 30 7.594 -1.145 -0.123 232 HG23 ILE 30 3HG2 ILE 30 6.142 -1.584 0.809 233 HD11 ILE 30 3HD1 ILE 30 7.334 -4.331 1.789 234 HD12 ILE 30 1HD1 ILE 30 6.433 -5.826 1.455 235 HD13 ILE 30 2HD1 ILE 30 7.840 -5.393 0.454 236 H LYS 31 H LYS 31 7.576 -2.032 -3.577 237 HA LYS 31 HA LYS 31 8.348 0.631 -2.861 238 HB2 LYS 31 1HB LYS 31 8.493 -0.922 -5.442 239 HB3 LYS 31 2HB LYS 31 9.155 0.718 -5.250 240 HG2 LYS 31 1HG LYS 31 10.680 -0.074 -3.510 241 HG3 LYS 31 2HG LYS 31 9.989 -1.710 -3.627 242 HD2 LYS 31 1HD LYS 31 10.736 -1.855 -5.973 243 HD3 LYS 31 2HD LYS 31 11.437 -0.223 -5.845 244 HE2 LYS 31 1HE LYS 31 12.950 -1.004 -4.077 245 HE3 LYS 31 2HE LYS 31 12.243 -2.633 -4.186 246 HZ1 LYS 31 3HZ LYS 31 13.692 -1.245 -6.349 247 HZ2 LYS 31 1HZ LYS 31 14.296 -2.469 -5.422 248 HZ3 LYS 31 2HZ LYS 31 13.038 -2.756 -6.450 249 H LEU 32 H LEU 32 5.664 -0.596 -4.725 250 HA LEU 32 HA LEU 32 5.056 1.783 -6.191 251 HB2 LEU 32 1HB LEU 32 3.415 -0.390 -5.068 252 HB3 LEU 32 2HB LEU 32 2.678 0.755 -6.214 253 HG LEU 32 HG LEU 32 4.995 -1.124 -6.815 254 HD11 LEU 32 1HD1 LEU 32 3.336 -2.312 -8.277 255 HD12 LEU 32 2HD1 LEU 32 2.822 -2.323 -6.574 256 HD13 LEU 32 3HD1 LEU 32 2.070 -1.191 -7.724 257 HD21 LEU 32 3HD2 LEU 32 5.132 0.940 -8.079 258 HD22 LEU 32 1HD2 LEU 32 4.681 -0.403 -9.157 259 HD23 LEU 32 2HD2 LEU 32 3.444 0.757 -8.615 260 H ILE 33 H ILE 33 3.819 0.640 -3.043 261 HA ILE 33 HA ILE 33 2.263 3.045 -2.558 262 HB ILE 33 HB ILE 33 3.336 0.860 -0.723 263 HG12 ILE 33 1HG1 ILE 33 0.530 1.497 -1.591 264 HG13 ILE 33 2HG1 ILE 33 1.583 0.287 -2.360 265 HG21 ILE 33 1HG2 ILE 33 1.886 1.834 1.026 266 HG22 ILE 33 2HG2 ILE 33 3.148 2.985 0.528 267 HG23 ILE 33 3HG2 ILE 33 1.481 3.183 -0.061 268 HD11 ILE 33 3HD1 ILE 33 0.646 0.249 0.531 269 HD12 ILE 33 1HD1 ILE 33 0.017 -0.773 -0.781 270 HD13 ILE 33 2HD1 ILE 33 1.701 -0.960 -0.237 271 H GLU 34 H GLU 34 5.577 2.114 -1.821 272 HA GLU 34 HA GLU 34 6.177 4.316 -0.095 273 HB2 GLU 34 1HB GLU 34 7.867 2.706 -2.008 274 HB3 GLU 34 2HB GLU 34 8.524 3.957 -0.925 275 HG2 GLU 34 1HG GLU 34 7.726 2.608 1.066 276 HG3 GLU 34 2HG GLU 34 7.034 1.490 -0.132 277 H LYS 35 H LYS 35 5.838 4.109 -3.566 278 HA LYS 35 HA LYS 35 7.010 6.840 -3.862 279 HB2 LYS 35 1HB LYS 35 6.226 4.741 -5.888 280 HB3 LYS 35 2HB LYS 35 6.866 6.355 -6.279 281 HG2 LYS 35 1HG LYS 35 8.958 5.787 -5.068 282 HG3 LYS 35 2HG LYS 35 8.318 4.153 -4.771 283 HD2 LYS 35 1HD LYS 35 8.157 3.787 -7.211 284 HD3 LYS 35 2HD LYS 35 8.839 5.407 -7.489 285 HE2 LYS 35 1HE LYS 35 10.887 4.739 -6.286 286 HE3 LYS 35 2HE LYS 35 10.207 3.112 -6.049 287 HZ1 LYS 35 3HZ LYS 35 10.799 4.359 -8.656 288 HZ2 LYS 35 1HZ LYS 35 11.701 3.186 -7.928 289 HZ3 LYS 35 2HZ LYS 35 10.168 2.851 -8.437 290 H ALA 36 H ALA 36 4.153 5.713 -2.987 291 HA ALA 36 HA ALA 36 2.346 6.924 -4.862 292 HB1 ALA 36 1HB ALA 36 0.685 6.719 -3.053 293 HB2 ALA 36 2HB ALA 36 1.621 5.219 -3.253 294 HB3 ALA 36 3HB ALA 36 1.986 6.323 -1.906 295 H LYS 37 H LYS 37 1.143 8.826 -4.730 296 HA LYS 37 HA LYS 37 2.700 11.028 -3.431 297 HB2 LYS 37 1HB LYS 37 0.773 11.032 -5.760 298 HB3 LYS 37 2HB LYS 37 1.552 12.475 -5.066 299 HG2 LYS 37 1HG LYS 37 3.761 11.583 -5.686 300 HG3 LYS 37 2HG LYS 37 2.985 10.139 -6.377 301 HD2 LYS 37 1HD LYS 37 1.786 11.556 -7.996 302 HD3 LYS 37 2HD LYS 37 2.566 13.000 -7.308 303 HE2 LYS 37 1HE LYS 37 4.776 12.076 -7.910 304 HE3 LYS 37 2HE LYS 37 3.974 10.665 -8.639 305 HZ1 LYS 37 3HZ LYS 37 3.652 13.463 -9.517 306 HZ2 LYS 37 1HZ LYS 37 4.548 12.312 -10.289 307 HZ3 LYS 37 2HZ LYS 37 2.908 12.155 -10.193 308 H GLN 38 H GLN 38 -0.125 9.245 -3.089 309 HA GLN 38 HA GLN 38 -1.122 11.088 -1.048 310 HB2 GLN 38 1HB GLN 38 -3.313 11.393 -1.997 311 HB3 GLN 38 2HB GLN 38 -2.072 12.083 -3.070 312 HG2 GLN 38 1HG GLN 38 -2.411 9.764 -4.520 313 HG3 GLN 38 2HG GLN 38 -3.616 9.655 -3.215 314 HE21 GLN 38 2HE2 GLN 38 -4.371 9.502 -5.868 315 HE22 GLN 38 1HE2 GLN 38 -5.256 10.926 -6.303 316 H VAL 39 H VAL 39 -2.961 10.247 0.125 317 HA VAL 39 HA VAL 39 -2.471 7.461 0.780 318 HB VAL 39 HB VAL 39 -4.708 9.363 1.595 319 HG11 VAL 39 1HG1 VAL 39 -5.157 7.727 3.393 320 HG12 VAL 39 2HG1 VAL 39 -5.404 6.999 1.788 321 HG13 VAL 39 3HG1 VAL 39 -3.924 6.639 2.711 322 HG21 VAL 39 3HG2 VAL 39 -2.520 10.097 2.333 323 HG22 VAL 39 1HG2 VAL 39 -3.490 9.518 3.707 324 HG23 VAL 39 2HG2 VAL 39 -2.198 8.494 3.037 325 H ALA 40 H ALA 40 -4.896 9.077 -1.194 326 HA ALA 40 HA ALA 40 -6.587 6.844 -1.624 327 HB1 ALA 40 1HB ALA 40 -7.193 7.955 -3.739 328 HB2 ALA 40 2HB ALA 40 -7.140 9.110 -2.387 329 HB3 ALA 40 3HB ALA 40 -5.803 9.049 -3.561 330 H ALA 41 H ALA 41 -3.562 7.784 -3.242 331 HA ALA 41 HA ALA 41 -3.567 5.533 -5.049 332 HB1 ALA 41 1HB ALA 41 -1.199 6.112 -5.408 333 HB2 ALA 41 2HB ALA 41 -2.243 7.551 -5.490 334 HB3 ALA 41 3HB ALA 41 -1.268 7.239 -4.034 335 H VAL 42 H VAL 42 -2.282 6.080 -1.799 336 HA VAL 42 HA VAL 42 -0.812 3.621 -1.537 337 HB VAL 42 HB VAL 42 -2.294 5.308 0.521 338 HG11 VAL 42 1HG1 VAL 42 -0.991 4.052 2.206 339 HG12 VAL 42 2HG1 VAL 42 -2.069 2.970 1.293 340 HG13 VAL 42 3HG1 VAL 42 -0.329 3.014 0.920 341 HG21 VAL 42 3HG2 VAL 42 -0.453 6.465 -0.549 342 HG22 VAL 42 1HG2 VAL 42 -0.056 6.071 1.141 343 HG23 VAL 42 2HG2 VAL 42 0.638 5.107 -0.183 344 H GLU 43 H GLU 43 -4.235 4.349 -0.933 345 HA GLU 43 HA GLU 43 -4.772 1.657 0.042 346 HB2 GLU 43 1HB GLU 43 -6.549 3.909 -0.897 347 HB3 GLU 43 2HB GLU 43 -7.153 2.359 -0.264 348 HG2 GLU 43 1HG GLU 43 -6.049 2.867 1.957 349 HG3 GLU 43 2HG GLU 43 -5.416 4.328 1.165 350 H ASP 44 H ASP 44 -5.262 3.339 -3.052 351 HA ASP 44 HA ASP 44 -6.589 1.156 -4.362 352 HB2 ASP 44 1HB ASP 44 -4.934 3.481 -5.514 353 HB3 ASP 44 2HB ASP 44 -5.763 2.162 -6.376 354 H LEU 45 H LEU 45 -3.150 2.065 -4.191 355 HA LEU 45 HA LEU 45 -2.226 -0.151 -5.781 356 HB2 LEU 45 1HB LEU 45 -1.078 1.553 -3.682 357 HB3 LEU 45 2HB LEU 45 -0.012 0.362 -4.464 358 HG LEU 45 HG LEU 45 -1.469 2.628 -5.881 359 HD11 LEU 45 1HD1 LEU 45 0.815 3.636 -6.129 360 HD12 LEU 45 2HD1 LEU 45 0.369 3.462 -4.416 361 HD13 LEU 45 3HD1 LEU 45 1.492 2.302 -5.165 362 HD21 LEU 45 3HD2 LEU 45 -1.132 0.691 -7.300 363 HD22 LEU 45 1HD2 LEU 45 -0.057 2.013 -7.813 364 HD23 LEU 45 2HD2 LEU 45 0.597 0.646 -6.879 365 H LYS 46 H LYS 46 -2.624 0.273 -2.270 366 HA LYS 46 HA LYS 46 -1.548 -2.189 -1.418 367 HB2 LYS 46 1HB LYS 46 -2.309 -0.376 0.059 368 HB3 LYS 46 2HB LYS 46 -3.994 -0.761 -0.362 369 HG2 LYS 46 1HG LYS 46 -3.674 -3.033 0.606 370 HG3 LYS 46 2HG LYS 46 -2.035 -2.556 1.108 371 HD2 LYS 46 1HD LYS 46 -3.057 -0.681 2.424 372 HD3 LYS 46 2HD LYS 46 -4.661 -1.339 2.023 373 HE2 LYS 46 1HE LYS 46 -4.063 -3.460 3.112 374 HE3 LYS 46 2HE LYS 46 -2.460 -2.803 3.512 375 HZ1 LYS 46 3HZ LYS 46 -5.037 -1.746 4.483 376 HZ2 LYS 46 1HZ LYS 46 -3.975 -2.645 5.368 377 HZ3 LYS 46 2HZ LYS 46 -3.550 -1.136 4.855 378 H ASP 47 H ASP 47 -4.877 -1.508 -2.504 379 HA ASP 47 HA ASP 47 -5.789 -4.214 -2.054 380 HB2 ASP 47 1HB ASP 47 -6.960 -1.961 -3.795 381 HB3 ASP 47 2HB ASP 47 -7.572 -3.610 -3.521 382 H GLU 48 H GLU 48 -4.743 -2.484 -4.993 383 HA GLU 48 HA GLU 48 -5.234 -4.721 -6.745 384 HB2 GLU 48 1HB GLU 48 -3.438 -2.305 -6.991 385 HB3 GLU 48 2HB GLU 48 -3.725 -3.482 -8.294 386 HG2 GLU 48 1HG GLU 48 -5.825 -1.603 -7.056 387 HG3 GLU 48 2HG GLU 48 -5.038 -1.571 -8.651 388 H ILE 49 H ILE 49 -2.428 -3.699 -4.863 389 HA ILE 49 HA ILE 49 -0.602 -5.666 -5.958 390 HB ILE 49 HB ILE 49 -0.707 -4.187 -3.296 391 HG12 ILE 49 1HG1 ILE 49 1.238 -3.925 -5.567 392 HG13 ILE 49 2HG1 ILE 49 -0.249 -2.959 -5.419 393 HG21 ILE 49 1HG2 ILE 49 1.577 -5.044 -2.901 394 HG22 ILE 49 2HG2 ILE 49 0.401 -6.376 -2.984 395 HG23 ILE 49 3HG2 ILE 49 1.460 -6.037 -4.372 396 HD11 ILE 49 3HD1 ILE 49 2.031 -3.030 -3.413 397 HD12 ILE 49 1HD1 ILE 49 1.705 -1.721 -4.571 398 HD13 ILE 49 2HD1 ILE 49 0.545 -2.064 -3.266 399 H LEU 50 H LEU 50 -2.797 -5.742 -3.168 400 HA LEU 50 HA LEU 50 -2.051 -8.405 -2.368 401 HB2 LEU 50 1HB LEU 50 -3.092 -6.877 -0.981 402 HB3 LEU 50 2HB LEU 50 -4.621 -6.798 -1.888 403 HG LEU 50 HG LEU 50 -4.989 -9.211 -1.407 404 HD11 LEU 50 1HD1 LEU 50 -3.587 -10.293 0.372 405 HD12 LEU 50 2HD1 LEU 50 -2.606 -9.848 -1.044 406 HD13 LEU 50 3HD1 LEU 50 -2.561 -8.841 0.424 407 HD21 LEU 50 3HD2 LEU 50 -6.040 -7.524 -0.018 408 HD22 LEU 50 1HD2 LEU 50 -5.591 -8.932 0.974 409 HD23 LEU 50 2HD2 LEU 50 -4.604 -7.451 1.032 410 H LYS 51 H LYS 51 -4.465 -7.160 -4.632 411 HA LYS 51 HA LYS 51 -5.740 -9.660 -5.200 412 HB2 LYS 51 1HB LYS 51 -5.258 -7.195 -6.871 413 HB3 LYS 51 2HB LYS 51 -6.223 -8.586 -7.419 414 HG2 LYS 51 1HG LYS 51 -7.805 -8.243 -5.589 415 HG3 LYS 51 2HG LYS 51 -6.821 -6.897 -4.966 416 HD2 LYS 51 1HD LYS 51 -7.171 -5.717 -7.149 417 HD3 LYS 51 2HD LYS 51 -8.286 -7.021 -7.622 418 HE2 LYS 51 1HE LYS 51 -9.723 -6.513 -5.712 419 HE3 LYS 51 2HE LYS 51 -8.595 -5.244 -5.182 420 HZ1 LYS 51 3HZ LYS 51 -10.103 -5.247 -7.718 421 HZ2 LYS 51 1HZ LYS 51 -10.456 -4.329 -6.394 422 HZ3 LYS 51 2HZ LYS 51 -9.056 -4.070 -7.227 423 H ALA 52 H ALA 52 -2.877 -8.112 -6.643 424 HA ALA 52 HA ALA 52 -2.343 -10.240 -8.490 425 HB1 ALA 52 1HB ALA 52 -0.077 -9.279 -8.603 426 HB2 ALA 52 2HB ALA 52 -1.327 -8.019 -8.714 427 HB3 ALA 52 3HB ALA 52 -0.441 -8.262 -7.190 428 H HIS 53 H HIS 53 -1.424 -9.690 -5.118 429 HA HIS 53 HA HIS 53 0.364 -11.942 -4.921 430 HB2 HIS 53 1HB HIS 53 0.338 -10.108 -3.243 431 HB3 HIS 53 2HB HIS 53 -1.301 -10.594 -2.748 432 HD2 HIS 53 2HD HIS 53 -1.184 -12.171 -0.440 433 HE1 HIS 53 1HE HIS 53 2.651 -13.819 -1.231 434 H ASP 54 H ASP 54 -3.128 -11.597 -4.599 435 HA ASP 54 HA ASP 54 -3.499 -14.272 -3.496 436 HB2 ASP 54 1HB ASP 54 -5.499 -12.283 -4.728 437 HB3 ASP 54 2HB ASP 54 -5.784 -13.927 -4.107 438 H ARG 55 H ARG 55 -2.862 -13.058 -6.614 439 HA ARG 55 HA ARG 55 -4.081 -15.325 -8.036 440 HB2 ARG 55 1HB ARG 55 -3.897 -13.188 -9.101 441 HB3 ARG 55 2HB ARG 55 -2.124 -13.279 -8.985 442 HG2 ARG 55 1HG ARG 55 -2.130 -15.268 -10.429 443 HG3 ARG 55 2HG ARG 55 -3.904 -15.178 -10.545 444 HD2 ARG 55 1HD ARG 55 -3.738 -13.062 -11.674 445 HD3 ARG 55 2HD ARG 55 -1.967 -13.104 -11.519 446 HE ARG 55 HE ARG 55 -2.961 -15.384 -13.107 447 HH11 ARG 55 1HH1 ARG 55 -2.169 -11.994 -13.293 448 HH12 ARG 55 2HH1 ARG 55 -1.821 -12.161 -15.003 449 HH21 ARG 55 1HH2 ARG 55 -2.575 -15.591 -15.067 450 HH22 ARG 55 2HH2 ARG 55 -2.054 -14.212 -16.016 451 H PHE 56 H PHE 56 -3.361 -17.286 -7.925 452 HA PHE 56 HA PHE 56 -0.386 -17.690 -7.821 453 HB2 PHE 56 1HB PHE 56 -2.611 -19.396 -6.620 454 HB3 PHE 56 2HB PHE 56 -0.895 -19.859 -6.684 455 HD1 PHE 56 2HD PHE 56 0.766 -18.643 -5.363 456 HD2 PHE 56 1HD PHE 56 -3.420 -17.863 -5.021 457 HE1 PHE 56 2HE PHE 56 1.157 -17.506 -3.203 458 HE2 PHE 56 1HE PHE 56 -3.034 -16.723 -2.862 459 HZ PHE 56 HZ PHE 56 -0.744 -16.544 -1.954 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -7.956 14.390 -1.445 2 H2 ASN 1 2H ASN 1 -8.115 13.597 -0.181 3 H3 ASN 1 H ASN 1 -8.718 14.998 -0.292 4 H3 ASN 1 3H ASN 1 -8.725 14.963 -0.292 5 HA ASN 1 HA ASN 1 -6.152 14.422 0.773 6 HB2 ASN 1 1HB ASN 1 -5.441 14.639 -1.828 7 HB3 ASN 1 2HB ASN 1 -6.185 16.211 -1.446 8 HD21 ASN 1 2HD2 ASN 1 -3.452 15.420 -2.307 9 HD22 ASN 1 1HD2 ASN 1 -2.388 16.125 -1.135 10 H GLY 2 H GLY 2 -6.413 15.478 2.569 11 HA2 GLY 2 1HA GLY 2 -6.279 17.509 3.814 12 HA3 GLY 2 2HA GLY 2 -6.923 18.398 2.414 13 H ASP 3 H ASP 3 -8.594 15.503 2.960 14 HA ASP 3 HA ASP 3 -11.019 16.886 3.770 15 HB2 ASP 3 1HB ASP 3 -10.377 13.881 3.565 16 HB3 ASP 3 2HB ASP 3 -11.885 14.683 4.070 17 H LYS 4 H LYS 4 -12.298 16.429 5.632 18 HA LYS 4 HA LYS 4 -10.899 16.745 8.099 19 HB2 LYS 4 1HB LYS 4 -13.247 17.384 7.686 20 HB3 LYS 4 2HB LYS 4 -13.678 15.659 7.620 21 HG2 LYS 4 1HG LYS 4 -13.049 15.365 9.948 22 HG3 LYS 4 2HG LYS 4 -12.468 17.044 10.034 23 HD2 LYS 4 1HD LYS 4 -14.726 17.882 9.645 24 HD3 LYS 4 2HD LYS 4 -15.331 16.219 9.453 25 HE2 LYS 4 1HE LYS 4 -14.764 15.705 11.761 26 HE3 LYS 4 2HE LYS 4 -14.038 17.315 11.968 27 HZ1 LYS 4 3HZ LYS 4 -16.885 16.777 11.409 28 HZ2 LYS 4 1HZ LYS 4 -16.261 17.218 12.871 29 HZ3 LYS 4 2HZ LYS 4 -16.213 18.270 11.602 30 H GLY 5 H GLY 5 -9.577 15.405 9.020 31 HA2 GLY 5 1HA GLY 5 -9.121 13.460 10.289 32 HA3 GLY 5 2HA GLY 5 -10.492 12.637 9.510 33 H TYR 6 H TYR 6 -8.590 14.305 7.263 34 HA TYR 6 HA TYR 6 -7.686 11.950 5.915 35 HB2 TYR 6 1HB TYR 6 -7.994 14.163 4.867 36 HB3 TYR 6 2HB TYR 6 -6.590 14.764 5.783 37 HD1 TYR 6 1HD TYR 6 -7.551 12.099 3.332 38 HD2 TYR 6 2HD TYR 6 -4.460 14.626 4.827 39 HE1 TYR 6 1HE TYR 6 -6.046 11.309 1.530 40 HE2 TYR 6 2HE TYR 6 -2.944 13.849 3.036 41 HH TYR 6 HH TYR 6 -2.725 12.556 1.171 42 H ASN 7 H ASN 7 -6.211 10.551 6.401 43 HA ASN 7 HA ASN 7 -4.267 11.073 8.522 44 HB2 ASN 7 1HB ASN 7 -4.480 8.530 6.740 45 HB3 ASN 7 2HB ASN 7 -3.403 9.106 8.035 46 HD21 ASN 7 2HD2 ASN 7 -5.347 6.838 7.799 47 HD22 ASN 7 1HD2 ASN 7 -6.358 6.979 9.199 48 H GLY 8 H GLY 8 -1.976 10.738 8.313 49 HA2 GLY 8 1HA GLY 8 -0.840 12.322 6.186 50 HA3 GLY 8 2HA GLY 8 0.055 11.393 7.411 51 H LEU 9 H LEU 9 0.668 11.671 4.588 52 HA LEU 9 HA LEU 9 -0.151 9.331 3.121 53 HB2 LEU 9 1HB LEU 9 0.627 11.266 2.132 54 HB3 LEU 9 2HB LEU 9 2.277 11.177 2.790 55 HG LEU 9 HG LEU 9 2.557 8.995 1.561 56 HD11 LEU 9 1HD1 LEU 9 0.964 8.542 -0.323 57 HD12 LEU 9 2HD1 LEU 9 0.135 8.489 1.250 58 HD13 LEU 9 3HD1 LEU 9 -0.029 9.921 0.205 59 HD21 LEU 9 3HD2 LEU 9 3.509 11.053 0.704 60 HD22 LEU 9 1HD2 LEU 9 2.931 10.043 -0.644 61 HD23 LEU 9 2HD2 LEU 9 1.980 11.453 -0.116 62 H ALA 10 H ALA 10 2.835 10.051 4.941 63 HA ALA 10 HA ALA 10 3.955 7.437 4.560 64 HB1 ALA 10 1HB ALA 10 5.469 8.058 6.404 65 HB2 ALA 10 2HB ALA 10 5.318 9.372 5.212 66 HB3 ALA 10 3HB ALA 10 4.450 9.471 6.762 67 H GLU 11 H GLU 11 1.718 8.773 6.921 68 HA GLU 11 HA GLU 11 1.788 6.580 8.778 69 HB2 GLU 11 1HB GLU 11 -0.379 8.548 8.035 70 HB3 GLU 11 2HB GLU 11 -0.515 7.363 9.358 71 HG2 GLU 11 1HG GLU 11 1.391 8.481 10.554 72 HG3 GLU 11 2HG GLU 11 1.576 9.483 9.096 73 H ALA 12 H ALA 12 -0.242 7.193 5.916 74 HA ALA 12 HA ALA 12 -1.723 4.746 6.143 75 HB1 ALA 12 1HB ALA 12 -2.327 5.151 3.788 76 HB2 ALA 12 2HB ALA 12 -2.491 6.628 4.767 77 HB3 ALA 12 3HB ALA 12 -1.089 6.424 3.691 78 H LYS 13 H LYS 13 1.274 5.593 4.436 79 HA LYS 13 HA LYS 13 1.549 3.039 3.113 80 HB2 LYS 13 1HB LYS 13 3.517 5.212 3.832 81 HB3 LYS 13 2HB LYS 13 3.951 3.750 2.913 82 HG2 LYS 13 1HG LYS 13 2.382 4.377 1.140 83 HG3 LYS 13 2HG LYS 13 1.893 5.817 2.065 84 HD2 LYS 13 1HD LYS 13 4.207 6.670 1.941 85 HD3 LYS 13 2HD LYS 13 4.675 5.241 0.989 86 HE2 LYS 13 1HE LYS 13 3.099 5.877 -0.772 87 HE3 LYS 13 2HE LYS 13 2.582 7.285 0.184 88 HZ1 LYS 13 3HZ LYS 13 5.298 6.838 -0.881 89 HZ2 LYS 13 1HZ LYS 13 4.188 7.891 -1.497 90 HZ3 LYS 13 2HZ LYS 13 4.819 8.145 0.006 91 H GLU 14 H GLU 14 2.528 4.259 6.266 92 HA GLU 14 HA GLU 14 4.341 2.155 6.947 93 HB2 GLU 14 1HB GLU 14 4.119 4.242 8.203 94 HB3 GLU 14 2HB GLU 14 2.480 3.764 8.705 95 HG2 GLU 14 1HG GLU 14 3.516 1.779 9.947 96 HG3 GLU 14 2HG GLU 14 5.068 2.418 9.359 97 H LYS 15 H LYS 15 0.842 2.465 7.604 98 HA LYS 15 HA LYS 15 0.740 -0.193 8.814 99 HB2 LYS 15 1HB LYS 15 -1.398 1.740 7.910 100 HB3 LYS 15 2HB LYS 15 -1.718 0.192 8.728 101 HG2 LYS 15 1HG LYS 15 -0.479 0.974 10.703 102 HG3 LYS 15 2HG LYS 15 -0.143 2.518 9.885 103 HD2 LYS 15 1HD LYS 15 -2.578 2.949 9.738 104 HD3 LYS 15 2HD LYS 15 -2.884 1.428 10.611 105 HE2 LYS 15 1HE LYS 15 -1.652 2.272 12.548 106 HE3 LYS 15 2HE LYS 15 -1.291 3.780 11.677 107 HZ1 LYS 15 3HZ LYS 15 -3.984 2.831 12.416 108 HZ2 LYS 15 1HZ LYS 15 -3.153 4.041 13.170 109 HZ3 LYS 15 2HZ LYS 15 -3.649 4.230 11.607 110 H ALA 16 H ALA 16 0.081 1.174 5.636 111 HA ALA 16 HA ALA 16 -1.277 -1.138 4.600 112 HB1 ALA 16 1HB ALA 16 -0.813 -0.144 2.393 113 HB2 ALA 16 2HB ALA 16 -1.443 1.066 3.536 114 HB3 ALA 16 3HB ALA 16 0.294 1.022 3.153 115 H ILE 17 H ILE 17 2.121 -0.062 4.377 116 HA ILE 17 HA ILE 17 3.015 -2.395 2.911 117 HB ILE 17 HB ILE 17 4.488 -0.385 4.668 118 HG12 ILE 17 1HG1 ILE 17 4.531 -0.731 1.686 119 HG13 ILE 17 2HG1 ILE 17 3.440 0.379 2.547 120 HG21 ILE 17 1HG2 ILE 17 6.563 -1.326 3.709 121 HG22 ILE 17 2HG2 ILE 17 5.681 -2.550 4.651 122 HG23 ILE 17 3HG2 ILE 17 5.610 -2.576 2.874 123 HD11 ILE 17 3HD1 ILE 17 6.476 0.471 2.604 124 HD12 ILE 17 1HD1 ILE 17 5.419 1.567 1.687 125 HD13 ILE 17 2HD1 ILE 17 5.385 1.580 3.466 126 H LYS 18 H LYS 18 2.895 -1.651 6.373 127 HA LYS 18 HA LYS 18 4.063 -4.037 7.341 128 HB2 LYS 18 1HB LYS 18 3.384 -2.147 8.740 129 HB3 LYS 18 2HB LYS 18 1.677 -2.524 8.413 130 HG2 LYS 18 1HG LYS 18 1.912 -4.679 9.553 131 HG3 LYS 18 2HG LYS 18 3.637 -4.350 9.843 132 HD2 LYS 18 1HD LYS 18 3.059 -2.410 11.221 133 HD3 LYS 18 2HD LYS 18 1.330 -2.680 10.897 134 HE2 LYS 18 1HE LYS 18 1.467 -4.876 11.994 135 HE3 LYS 18 2HE LYS 18 3.194 -4.606 12.319 136 HZ1 LYS 18 3HZ LYS 18 0.975 -2.974 13.376 137 HZ2 LYS 18 1HZ LYS 18 1.837 -4.089 14.232 138 HZ3 LYS 18 2HZ LYS 18 2.577 -2.723 13.677 139 H ASP 19 H ASP 19 0.657 -3.448 6.448 140 HA ASP 19 HA ASP 19 -0.200 -6.144 6.978 141 HB2 ASP 19 1HB ASP 19 -1.401 -3.966 5.166 142 HB3 ASP 19 2HB ASP 19 -1.984 -5.624 5.458 143 H LEU 20 H LEU 20 1.022 -4.551 4.051 144 HA LEU 20 HA LEU 20 0.553 -6.745 2.275 145 HB2 LEU 20 1HB LEU 20 2.534 -4.578 2.412 146 HB3 LEU 20 2HB LEU 20 2.512 -5.609 0.963 147 HG LEU 20 HG LEU 20 0.222 -3.859 1.938 148 HD11 LEU 20 1HD1 LEU 20 0.715 -2.491 -0.106 149 HD12 LEU 20 2HD1 LEU 20 2.112 -2.534 0.995 150 HD13 LEU 20 3HD1 LEU 20 2.098 -3.553 -0.463 151 HD21 LEU 20 3HD2 LEU 20 -0.562 -5.860 0.817 152 HD22 LEU 20 1HD2 LEU 20 -0.844 -4.438 -0.214 153 HD23 LEU 20 2HD2 LEU 20 0.509 -5.539 -0.567 154 H LYS 21 H LYS 21 3.331 -5.956 4.341 155 HA LYS 21 HA LYS 21 4.923 -8.216 3.519 156 HB2 LYS 21 1HB LYS 21 4.850 -6.532 6.020 157 HB3 LYS 21 2HB LYS 21 6.010 -7.859 5.769 158 HG2 LYS 21 1HG LYS 21 6.874 -6.704 3.759 159 HG3 LYS 21 2HG LYS 21 5.739 -5.365 4.055 160 HD2 LYS 21 1HD LYS 21 6.806 -4.911 6.212 161 HD3 LYS 21 2HD LYS 21 7.913 -6.282 5.969 162 HE2 LYS 21 1HE LYS 21 8.851 -5.189 3.987 163 HE3 LYS 21 2HE LYS 21 7.727 -3.827 4.196 164 HZ1 LYS 21 3HZ LYS 21 9.824 -4.627 6.110 165 HZ2 LYS 21 1HZ LYS 21 9.899 -3.331 5.090 166 HZ3 LYS 21 2HZ LYS 21 8.781 -3.363 6.304 167 H ILE 22 H ILE 22 2.469 -7.776 6.039 168 HA ILE 22 HA ILE 22 2.673 -10.464 7.102 169 HB ILE 22 HB ILE 22 0.383 -8.450 7.017 170 HG12 ILE 22 1HG1 ILE 22 2.054 -9.371 9.337 171 HG13 ILE 22 2HG1 ILE 22 2.428 -7.943 8.345 172 HG21 ILE 22 1HG2 ILE 22 -0.741 -9.912 8.663 173 HG22 ILE 22 2HG2 ILE 22 -0.509 -10.754 7.114 174 HG23 ILE 22 3HG2 ILE 22 0.563 -11.111 8.489 175 HD11 ILE 22 3HD1 ILE 22 -0.108 -8.367 9.962 176 HD12 ILE 22 1HD1 ILE 22 1.246 -7.304 10.409 177 HD13 ILE 22 2HD1 ILE 22 0.266 -6.939 8.969 178 H TYR 23 H TYR 23 1.108 -9.127 4.277 179 HA TYR 23 HA TYR 23 -0.515 -11.532 3.839 180 HB2 TYR 23 1HB TYR 23 0.153 -9.188 2.046 181 HB3 TYR 23 2HB TYR 23 -1.025 -10.473 1.681 182 HD1 TYR 23 1HD TYR 23 -1.894 -10.537 4.752 183 HD2 TYR 23 2HD TYR 23 -1.640 -7.484 1.785 184 HE1 TYR 23 1HE TYR 23 -3.660 -9.257 5.928 185 HE2 TYR 23 2HE TYR 23 -3.401 -6.194 2.947 186 HH TYR 23 HH TYR 23 -4.826 -6.110 4.721 187 H GLY 24 H GLY 24 2.731 -10.704 3.330 188 HA2 GLY 24 1HA GLY 24 4.344 -12.297 2.617 189 HA3 GLY 24 2HA GLY 24 3.070 -13.188 1.753 190 H ILE 25 H ILE 25 3.279 -9.723 1.453 191 HA ILE 25 HA ILE 25 3.766 -9.971 -1.448 192 HB ILE 25 HB ILE 25 3.446 -7.517 0.342 193 HG12 ILE 25 1HG1 ILE 25 1.467 -8.835 0.365 194 HG13 ILE 25 2HG1 ILE 25 1.219 -7.353 -0.587 195 HG21 ILE 25 1HG2 ILE 25 3.073 -6.310 -1.783 196 HG22 ILE 25 2HG2 ILE 25 4.694 -7.041 -1.738 197 HG23 ILE 25 3HG2 ILE 25 3.399 -7.805 -2.689 198 HD11 ILE 25 3HD1 ILE 25 1.720 -10.130 -1.716 199 HD12 ILE 25 1HD1 ILE 25 0.151 -9.292 -1.667 200 HD13 ILE 25 2HD1 ILE 25 1.472 -8.647 -2.668 201 H GLY 26 H GLY 26 5.495 -9.657 -2.572 202 HA2 GLY 26 1HA GLY 26 8.028 -9.595 -1.138 203 HA3 GLY 26 2HA GLY 26 7.800 -9.682 -2.900 204 H GLU 27 H GLU 27 9.808 -8.127 -1.829 205 HA GLU 27 HA GLU 27 9.072 -5.442 -1.162 206 HB2 GLU 27 1HB GLU 27 11.274 -6.490 -0.739 207 HB3 GLU 27 2HB GLU 27 11.597 -6.442 -2.489 208 HG2 GLU 27 1HG GLU 27 11.485 -3.906 -2.401 209 HG3 GLU 27 2HG GLU 27 11.099 -4.117 -0.678 210 H HIS 28 H HIS 28 9.670 -7.015 -4.267 211 HA HIS 28 HA HIS 28 9.872 -4.749 -5.923 212 HB2 HIS 28 1HB HIS 28 10.182 -7.032 -6.791 213 HB3 HIS 28 2HB HIS 28 8.463 -7.394 -6.499 214 HD2 HIS 28 2HD HIS 28 6.762 -6.751 -8.673 215 HE1 HIS 28 1HE HIS 28 9.714 -4.574 -10.817 216 H TYR 29 H TYR 29 6.937 -6.320 -4.678 217 HA TYR 29 HA TYR 29 5.222 -4.374 -6.079 218 HB2 TYR 29 1HB TYR 29 4.726 -6.662 -4.178 219 HB3 TYR 29 2HB TYR 29 3.438 -5.550 -4.703 220 HD1 TYR 29 1HD TYR 29 5.711 -8.251 -5.753 221 HD2 TYR 29 2HD TYR 29 2.607 -5.604 -6.995 222 HE1 TYR 29 1HE TYR 29 5.388 -9.604 -7.804 223 HE2 TYR 29 2HE TYR 29 2.272 -6.941 -9.045 224 HH TYR 29 HH TYR 29 2.935 -8.756 -10.250 225 H ILE 30 H ILE 30 6.556 -4.857 -2.871 226 HA ILE 30 HA ILE 30 4.960 -2.853 -1.529 227 HB ILE 30 HB ILE 30 7.766 -3.933 -1.022 228 HG12 ILE 30 1HG1 ILE 30 5.223 -4.338 0.524 229 HG13 ILE 30 2HG1 ILE 30 5.803 -5.432 -0.754 230 HG21 ILE 30 1HG2 ILE 30 7.636 -2.794 1.167 231 HG22 ILE 30 2HG2 ILE 30 7.586 -1.621 -0.167 232 HG23 ILE 30 3HG2 ILE 30 6.090 -2.053 0.691 233 HD11 ILE 30 3HD1 ILE 30 7.277 -4.762 1.818 234 HD12 ILE 30 1HD1 ILE 30 6.407 -6.276 1.481 235 HD13 ILE 30 2HD1 ILE 30 7.858 -5.854 0.539 236 H LYS 31 H LYS 31 7.735 -2.650 -3.644 237 HA LYS 31 HA LYS 31 8.385 0.095 -3.079 238 HB2 LYS 31 1HB LYS 31 8.726 -1.652 -5.514 239 HB3 LYS 31 2HB LYS 31 9.298 0.031 -5.434 240 HG2 LYS 31 1HG LYS 31 10.759 -0.546 -3.544 241 HG3 LYS 31 2HG LYS 31 10.176 -2.227 -3.601 242 HD2 LYS 31 1HD LYS 31 11.073 -2.468 -5.876 243 HD3 LYS 31 2HD LYS 31 11.643 -0.782 -5.835 244 HE2 LYS 31 1HE LYS 31 13.093 -1.330 -3.916 245 HE3 LYS 31 2HE LYS 31 12.542 -3.019 -3.992 246 HZ1 LYS 31 3HZ LYS 31 14.000 -1.594 -6.124 247 HZ2 LYS 31 1HZ LYS 31 14.648 -2.719 -5.107 248 HZ3 LYS 31 2HZ LYS 31 13.490 -3.161 -6.196 249 H LEU 32 H LEU 32 5.866 -1.406 -4.981 250 HA LEU 32 HA LEU 32 5.208 0.876 -6.597 251 HB2 LEU 32 1HB LEU 32 4.524 -1.223 -7.142 252 HB3 LEU 32 2HB LEU 32 3.564 -1.542 -5.678 253 HG LEU 32 HG LEU 32 2.053 0.354 -6.355 254 HD11 LEU 32 1HD1 LEU 32 2.141 1.079 -8.756 255 HD12 LEU 32 2HD1 LEU 32 3.641 1.499 -7.897 256 HD13 LEU 32 3HD1 LEU 32 3.601 0.090 -8.985 257 HD21 LEU 32 3HD2 LEU 32 1.416 -1.955 -6.730 258 HD22 LEU 32 1HD2 LEU 32 0.843 -0.942 -8.076 259 HD23 LEU 32 2HD2 LEU 32 2.281 -1.972 -8.286 260 H ILE 33 H ILE 33 3.812 -0.283 -3.518 261 HA ILE 33 HA ILE 33 1.938 1.935 -3.352 262 HB ILE 33 HB ILE 33 1.783 -0.373 -2.160 263 HG12 ILE 33 1HG1 ILE 33 1.371 2.059 -0.447 264 HG13 ILE 33 2HG1 ILE 33 0.342 1.633 -1.833 265 HG21 ILE 33 1HG2 ILE 33 2.804 -0.430 0.091 266 HG22 ILE 33 2HG2 ILE 33 4.051 -0.329 -1.175 267 HG23 ILE 33 3HG2 ILE 33 3.615 1.119 -0.237 268 HD11 ILE 33 3HD1 ILE 33 0.790 -0.075 0.639 269 HD12 ILE 33 1HD1 ILE 33 -0.667 0.883 0.285 270 HD13 ILE 33 2HD1 ILE 33 -0.240 -0.501 -0.749 271 H GLU 34 H GLU 34 5.274 1.620 -2.612 272 HA GLU 34 HA GLU 34 5.371 3.825 -0.710 273 HB2 GLU 34 1HB GLU 34 7.439 2.469 -2.439 274 HB3 GLU 34 2HB GLU 34 7.809 3.812 -1.330 275 HG2 GLU 34 1HG GLU 34 7.105 2.394 0.621 276 HG3 GLU 34 2HG GLU 34 6.586 1.191 -0.581 277 H LYS 35 H LYS 35 4.856 3.656 -4.057 278 HA LYS 35 HA LYS 35 6.085 6.326 -4.550 279 HB2 LYS 35 1HB LYS 35 4.806 4.306 -6.399 280 HB3 LYS 35 2HB LYS 35 5.498 5.867 -6.899 281 HG2 LYS 35 1HG LYS 35 7.715 5.145 -6.149 282 HG3 LYS 35 2HG LYS 35 7.035 3.595 -5.595 283 HD2 LYS 35 1HD LYS 35 6.336 3.100 -7.923 284 HD3 LYS 35 2HD LYS 35 7.093 4.621 -8.454 285 HE2 LYS 35 1HE LYS 35 9.270 3.813 -7.613 286 HE3 LYS 35 2HE LYS 35 8.504 2.281 -7.136 287 HZ1 LYS 35 3HZ LYS 35 8.683 3.321 -9.891 288 HZ2 LYS 35 1HZ LYS 35 9.600 2.100 -9.264 289 HZ3 LYS 35 2HZ LYS 35 7.972 1.900 -9.447 290 H ALA 36 H ALA 36 3.327 5.339 -3.222 291 HA ALA 36 HA ALA 36 1.328 6.707 -4.764 292 HB1 ALA 36 1HB ALA 36 -0.043 6.538 -2.724 293 HB2 ALA 36 2HB ALA 36 0.761 4.996 -3.101 294 HB3 ALA 36 3HB ALA 36 1.393 6.035 -1.803 295 H LYS 37 H LYS 37 0.232 8.653 -4.333 296 HA LYS 37 HA LYS 37 2.008 10.712 -3.065 297 HB2 LYS 37 1HB LYS 37 -0.100 11.020 -5.209 298 HB3 LYS 37 2HB LYS 37 0.896 12.322 -4.515 299 HG2 LYS 37 1HG LYS 37 1.983 9.943 -6.062 300 HG3 LYS 37 2HG LYS 37 1.676 11.550 -6.763 301 HD2 LYS 37 1HD LYS 37 3.240 12.529 -5.082 302 HD3 LYS 37 2HD LYS 37 3.611 10.882 -4.520 303 HE2 LYS 37 1HE LYS 37 4.381 10.303 -6.800 304 HE3 LYS 37 2HE LYS 37 4.066 11.976 -7.314 305 HZ1 LYS 37 3HZ LYS 37 5.992 11.154 -5.235 306 HZ2 LYS 37 1HZ LYS 37 6.379 11.634 -6.765 307 HZ3 LYS 37 2HZ LYS 37 5.700 12.706 -5.711 308 H GLN 38 H GLN 38 -1.217 9.356 -3.194 309 HA GLN 38 HA GLN 38 -1.917 11.094 -0.853 310 HB2 GLN 38 1HB GLN 38 -3.766 10.065 -3.016 311 HB3 GLN 38 2HB GLN 38 -4.238 11.015 -1.587 312 HG2 GLN 38 1HG GLN 38 -2.764 13.025 -2.673 313 HG3 GLN 38 2HG GLN 38 -2.547 11.691 -3.830 314 HE21 GLN 38 2HE2 GLN 38 -3.582 14.344 -4.356 315 HE22 GLN 38 1HE2 GLN 38 -5.203 14.149 -4.933 316 H VAL 39 H VAL 39 -3.433 10.212 0.643 317 HA VAL 39 HA VAL 39 -2.867 7.497 1.417 318 HB VAL 39 HB VAL 39 -5.151 9.369 2.160 319 HG11 VAL 39 1HG1 VAL 39 -5.564 7.809 4.032 320 HG12 VAL 39 2HG1 VAL 39 -5.812 7.006 2.463 321 HG13 VAL 39 3HG1 VAL 39 -4.322 6.709 3.390 322 HG21 VAL 39 3HG2 VAL 39 -2.970 10.166 2.849 323 HG22 VAL 39 1HG2 VAL 39 -3.922 9.635 4.255 324 HG23 VAL 39 2HG2 VAL 39 -2.620 8.600 3.621 325 H ALA 40 H ALA 40 -5.530 8.880 -0.463 326 HA ALA 40 HA ALA 40 -6.976 6.450 -0.795 327 HB1 ALA 40 1HB ALA 40 -7.905 7.515 -2.813 328 HB2 ALA 40 2HB ALA 40 -7.884 8.639 -1.434 329 HB3 ALA 40 3HB ALA 40 -6.659 8.781 -2.717 330 H ALA 41 H ALA 41 -4.255 7.819 -2.630 331 HA ALA 41 HA ALA 41 -4.172 5.726 -4.590 332 HB1 ALA 41 1HB ALA 41 -1.894 6.549 -5.049 333 HB2 ALA 41 2HB ALA 41 -3.060 7.888 -4.925 334 HB3 ALA 41 3HB ALA 41 -1.956 7.538 -3.573 335 H VAL 42 H VAL 42 -2.731 6.084 -1.384 336 HA VAL 42 HA VAL 42 -1.066 3.730 -1.444 337 HB VAL 42 HB VAL 42 -2.517 5.114 0.847 338 HG11 VAL 42 1HG1 VAL 42 -1.013 3.820 2.323 339 HG12 VAL 42 2HG1 VAL 42 -2.073 2.742 1.382 340 HG13 VAL 42 3HG1 VAL 42 -0.370 2.954 0.907 341 HG21 VAL 42 3HG2 VAL 42 -0.842 6.500 -0.222 342 HG22 VAL 42 1HG2 VAL 42 -0.303 5.991 1.394 343 HG23 VAL 42 2HG2 VAL 42 0.366 5.203 -0.055 344 H GLU 43 H GLU 43 -4.452 4.143 -0.421 345 HA GLU 43 HA GLU 43 -4.773 1.334 0.210 346 HB2 GLU 43 1HB GLU 43 -6.737 3.549 -0.384 347 HB3 GLU 43 2HB GLU 43 -7.209 1.899 0.091 348 HG2 GLU 43 1HG GLU 43 -5.994 2.234 2.300 349 HG3 GLU 43 2HG GLU 43 -5.550 3.831 1.657 350 H ASP 44 H ASP 44 -5.291 3.273 -2.693 351 HA ASP 44 HA ASP 44 -6.649 1.239 -4.207 352 HB2 ASP 44 1HB ASP 44 -4.939 3.627 -5.128 353 HB3 ASP 44 2HB ASP 44 -5.776 2.402 -6.113 354 H LEU 45 H LEU 45 -3.196 2.102 -3.973 355 HA LEU 45 HA LEU 45 -2.363 -0.030 -5.754 356 HB2 LEU 45 1HB LEU 45 -1.044 1.593 -3.683 357 HB3 LEU 45 2HB LEU 45 -0.055 0.507 -4.687 358 HG LEU 45 HG LEU 45 -1.677 2.895 -5.651 359 HD11 LEU 45 1HD1 LEU 45 0.572 3.846 -6.230 360 HD12 LEU 45 2HD1 LEU 45 0.440 3.514 -4.487 361 HD13 LEU 45 3HD1 LEU 45 1.344 2.400 -5.539 362 HD21 LEU 45 3HD2 LEU 45 -1.707 1.102 -7.283 363 HD22 LEU 45 1HD2 LEU 45 -0.679 2.434 -7.863 364 HD23 LEU 45 2HD2 LEU 45 0.064 0.956 -7.201 365 H LYS 46 H LYS 46 -2.787 0.248 -2.263 366 HA LYS 46 HA LYS 46 -1.618 -2.215 -1.479 367 HB2 LYS 46 1HB LYS 46 -2.527 -0.432 0.011 368 HB3 LYS 46 2HB LYS 46 -4.164 -0.987 -0.415 369 HG2 LYS 46 1HG LYS 46 -3.686 -3.188 0.557 370 HG3 LYS 46 2HG LYS 46 -2.032 -2.664 0.952 371 HD2 LYS 46 1HD LYS 46 -3.017 -0.846 2.370 372 HD3 LYS 46 2HD LYS 46 -4.625 -1.545 2.068 373 HE2 LYS 46 1HE LYS 46 -3.874 -3.674 3.063 374 HE3 LYS 46 2HE LYS 46 -2.283 -2.950 3.390 375 HZ1 LYS 46 3HZ LYS 46 -4.849 -2.032 4.521 376 HZ2 LYS 46 1HZ LYS 46 -3.700 -2.897 5.328 377 HZ3 LYS 46 2HZ LYS 46 -3.373 -1.360 4.824 378 H ASP 47 H ASP 47 -4.902 -1.560 -2.691 379 HA ASP 47 HA ASP 47 -5.709 -4.348 -2.524 380 HB2 ASP 47 1HB ASP 47 -6.940 -1.992 -4.079 381 HB3 ASP 47 2HB ASP 47 -7.478 -3.686 -3.959 382 H GLU 48 H GLU 48 -4.378 -2.290 -5.082 383 HA GLU 48 HA GLU 48 -4.834 -4.177 -7.213 384 HB2 GLU 48 1HB GLU 48 -2.937 -1.862 -6.851 385 HB3 GLU 48 2HB GLU 48 -2.994 -2.844 -8.335 386 HG2 GLU 48 1HG GLU 48 -5.292 -1.114 -7.237 387 HG3 GLU 48 2HG GLU 48 -4.210 -0.845 -8.622 388 H ILE 49 H ILE 49 -2.180 -3.707 -4.935 389 HA ILE 49 HA ILE 49 -0.346 -5.562 -6.167 390 HB ILE 49 HB ILE 49 -0.726 -4.652 -3.283 391 HG12 ILE 49 1HG1 ILE 49 1.497 -4.051 -5.207 392 HG13 ILE 49 2HG1 ILE 49 0.040 -3.045 -5.035 393 HG21 ILE 49 1HG2 ILE 49 1.457 -5.716 -2.822 394 HG22 ILE 49 2HG2 ILE 49 0.250 -6.923 -3.320 395 HG23 ILE 49 3HG2 ILE 49 1.485 -6.374 -4.474 396 HD11 ILE 49 3HD1 ILE 49 2.043 -3.666 -2.836 397 HD12 ILE 49 1HD1 ILE 49 1.913 -2.130 -3.722 398 HD13 ILE 49 2HD1 ILE 49 0.586 -2.661 -2.663 399 H LEU 50 H LEU 50 -2.881 -6.042 -3.728 400 HA LEU 50 HA LEU 50 -2.397 -8.880 -3.491 401 HB2 LEU 50 1HB LEU 50 -4.679 -7.088 -3.020 402 HB3 LEU 50 2HB LEU 50 -4.855 -8.803 -2.580 403 HG LEU 50 HG LEU 50 -2.826 -6.854 -1.419 404 HD11 LEU 50 1HD1 LEU 50 -4.158 -7.114 0.691 405 HD12 LEU 50 2HD1 LEU 50 -5.150 -6.436 -0.620 406 HD13 LEU 50 3HD1 LEU 50 -5.309 -8.153 -0.181 407 HD21 LEU 50 3HD2 LEU 50 -1.950 -9.112 -1.538 408 HD22 LEU 50 1HD2 LEU 50 -2.292 -8.682 0.155 409 HD23 LEU 50 2HD2 LEU 50 -3.404 -9.750 -0.733 410 H LYS 51 H LYS 51 -4.433 -6.928 -5.618 411 HA LYS 51 HA LYS 51 -5.749 -9.190 -6.862 412 HB2 LYS 51 1HB LYS 51 -5.240 -6.353 -7.757 413 HB3 LYS 51 2HB LYS 51 -6.179 -7.537 -8.696 414 HG2 LYS 51 1HG LYS 51 -7.810 -7.717 -6.881 415 HG3 LYS 51 2HG LYS 51 -6.857 -6.584 -5.894 416 HD2 LYS 51 1HD LYS 51 -7.185 -4.836 -7.620 417 HD3 LYS 51 2HD LYS 51 -8.192 -5.970 -8.552 418 HE2 LYS 51 1HE LYS 51 -9.766 -6.122 -6.672 419 HE3 LYS 51 2HE LYS 51 -8.761 -4.994 -5.736 420 HZ1 LYS 51 3HZ LYS 51 -10.124 -4.371 -8.277 421 HZ2 LYS 51 1HZ LYS 51 -10.613 -3.878 -6.780 422 HZ3 LYS 51 2HZ LYS 51 -9.191 -3.323 -7.408 423 H ALA 52 H ALA 52 -2.682 -7.567 -7.360 424 HA ALA 52 HA ALA 52 -2.138 -8.667 -9.953 425 HB1 ALA 52 1HB ALA 52 0.208 -8.094 -9.460 426 HB2 ALA 52 2HB ALA 52 -0.892 -6.759 -9.044 427 HB3 ALA 52 3HB ALA 52 -0.223 -7.795 -7.761 428 H HIS 53 H HIS 53 -1.905 -9.961 -6.716 429 HA HIS 53 HA HIS 53 -0.439 -12.350 -7.723 430 HB2 HIS 53 1HB HIS 53 -1.239 -11.492 -4.905 431 HB3 HIS 53 2HB HIS 53 -0.368 -12.992 -5.303 432 HD2 HIS 53 2HD HIS 53 2.450 -12.632 -5.916 433 HE1 HIS 53 1HE HIS 53 2.364 -8.492 -4.967 434 H ASP 54 H ASP 54 -3.518 -11.355 -7.787 435 HA ASP 54 HA ASP 54 -5.593 -12.403 -7.762 436 HB2 ASP 54 1HB ASP 54 -3.949 -14.959 -8.263 437 HB3 ASP 54 2HB ASP 54 -5.698 -14.641 -8.368 438 H ARG 55 H ARG 55 -4.459 -11.884 -5.261 439 HA ARG 55 HA ARG 55 -5.783 -14.060 -3.693 440 HB2 ARG 55 1HB ARG 55 -3.144 -12.829 -3.043 441 HB3 ARG 55 2HB ARG 55 -4.136 -13.806 -1.935 442 HG2 ARG 55 1HG ARG 55 -3.066 -14.789 -4.597 443 HG3 ARG 55 2HG ARG 55 -2.264 -15.063 -3.031 444 HD2 ARG 55 1HD ARG 55 -4.256 -16.252 -2.263 445 HD3 ARG 55 2HD ARG 55 -4.969 -16.046 -3.881 446 HE ARG 55 HE ARG 55 -2.849 -18.038 -3.234 447 HH11 ARG 55 1HH1 ARG 55 -4.590 -16.360 -5.747 448 HH12 ARG 55 2HH1 ARG 55 -4.097 -17.577 -6.909 449 HH21 ARG 55 1HH2 ARG 55 -2.283 -19.444 -4.551 450 HH22 ARG 55 2HH2 ARG 55 -2.783 -19.337 -6.228 451 H PHE 56 H PHE 56 -6.535 -11.327 -4.682 452 HA PHE 56 HA PHE 56 -6.745 -9.697 -2.264 453 HB2 PHE 56 1HB PHE 56 -6.752 -8.640 -4.493 454 HB3 PHE 56 2HB PHE 56 -8.224 -9.537 -4.927 455 HD1 PHE 56 1HD PHE 56 -6.906 -7.094 -2.444 456 HD2 PHE 56 2HD PHE 56 -10.286 -8.611 -4.571 457 HE1 PHE 56 1HE PHE 56 -8.291 -5.250 -1.555 458 HE2 PHE 56 2HE PHE 56 -11.675 -6.766 -3.686 459 HZ PHE 56 HZ PHE 56 -10.676 -5.086 -2.175 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -4.885 15.974 -1.391 2 H2 ASN 1 2H ASN 1 -4.440 16.901 -0.299 3 H3 ASN 1 H ASN 1 -3.454 16.454 -1.379 4 H3 ASN 1 3H ASN 1 -3.473 16.481 -1.366 5 HA ASN 1 HA ASN 1 -3.798 15.170 1.129 6 HB2 ASN 1 1HB ASN 1 -5.723 13.856 -0.265 7 HB3 ASN 1 2HB ASN 1 -4.216 13.511 -1.148 8 HD21 ASN 1 2HD2 ASN 1 -6.289 12.566 1.326 9 HD22 ASN 1 1HD2 ASN 1 -5.288 11.355 2.057 10 H GLY 2 H GLY 2 -1.765 15.167 1.655 11 HA2 GLY 2 1HA GLY 2 0.421 14.378 1.694 12 HA3 GLY 2 2HA GLY 2 0.051 13.369 0.276 13 H ASP 3 H ASP 3 -0.573 16.814 0.271 14 HA ASP 3 HA ASP 3 1.372 17.076 -1.970 15 HB2 ASP 3 1HB ASP 3 -0.881 18.982 -1.092 16 HB3 ASP 3 2HB ASP 3 0.315 19.108 -2.405 17 H LYS 4 H LYS 4 0.752 18.213 1.279 18 HA LYS 4 HA LYS 4 3.025 20.139 1.039 19 HB2 LYS 4 1HB LYS 4 0.977 19.717 3.221 20 HB3 LYS 4 2HB LYS 4 2.276 20.933 3.235 21 HG2 LYS 4 1HG LYS 4 1.275 21.959 1.194 22 HG3 LYS 4 2HG LYS 4 -0.069 20.799 1.310 23 HD2 LYS 4 1HD LYS 4 -0.591 21.675 3.575 24 HD3 LYS 4 2HD LYS 4 0.707 22.876 3.386 25 HE2 LYS 4 1HE LYS 4 -0.446 23.788 1.401 26 HE3 LYS 4 2HE LYS 4 -1.759 22.612 1.638 27 HZ1 LYS 4 3HZ LYS 4 -0.981 24.721 3.549 28 HZ2 LYS 4 1HZ LYS 4 -2.307 24.756 2.569 29 HZ3 LYS 4 2HZ LYS 4 -2.198 23.630 3.770 30 H GLY 5 H GLY 5 2.811 16.995 1.495 31 HA2 GLY 5 1HA GLY 5 4.445 15.549 2.352 32 HA3 GLY 5 2HA GLY 5 5.209 16.924 3.184 33 H TYR 6 H TYR 6 1.906 15.538 3.288 34 HA TYR 6 HA TYR 6 1.695 16.021 6.142 35 HB2 TYR 6 1HB TYR 6 0.019 14.460 4.173 36 HB3 TYR 6 2HB TYR 6 -0.391 14.643 5.896 37 HD1 TYR 6 2HD TYR 6 -1.063 16.838 6.785 38 HD2 TYR 6 1HD TYR 6 -0.254 16.307 2.632 39 HE1 TYR 6 2HE TYR 6 -2.176 18.992 6.303 40 HE2 TYR 6 1HE TYR 6 -1.365 18.464 2.131 41 HH TYR 6 HH TYR 6 -2.448 20.272 2.979 42 H ASN 7 H ASN 7 1.782 14.703 7.856 43 HA ASN 7 HA ASN 7 3.469 12.337 7.596 44 HB2 ASN 7 1HB ASN 7 2.073 13.397 10.168 45 HB3 ASN 7 2HB ASN 7 3.079 11.991 9.745 46 HD21 ASN 7 2HD2 ASN 7 3.492 14.327 11.548 47 HD22 ASN 7 1HD2 ASN 7 5.009 15.007 11.060 48 H GLY 8 H GLY 8 0.060 12.937 7.607 49 HA2 GLY 8 1HA GLY 8 -0.862 10.370 8.430 50 HA3 GLY 8 2HA GLY 8 -1.728 11.495 7.356 51 H LEU 9 H LEU 9 0.321 11.597 5.324 52 HA LEU 9 HA LEU 9 -0.340 9.270 3.763 53 HB2 LEU 9 1HB LEU 9 0.129 11.270 2.791 54 HB3 LEU 9 2HB LEU 9 1.783 11.452 3.423 55 HG LEU 9 HG LEU 9 2.433 9.408 2.124 56 HD11 LEU 9 1HD1 LEU 9 0.898 8.673 0.280 57 HD12 LEU 9 2HD1 LEU 9 0.150 8.437 1.876 58 HD13 LEU 9 3HD1 LEU 9 -0.329 9.821 0.866 59 HD21 LEU 9 3HD2 LEU 9 2.929 11.625 1.279 60 HD22 LEU 9 1HD2 LEU 9 2.517 10.540 -0.071 61 HD23 LEU 9 2HD2 LEU 9 1.324 11.724 0.514 62 H ALA 10 H ALA 10 2.631 10.193 5.506 63 HA ALA 10 HA ALA 10 4.107 7.860 4.815 64 HB1 ALA 10 1HB ALA 10 5.504 8.412 6.770 65 HB2 ALA 10 2HB ALA 10 5.147 9.856 5.793 66 HB3 ALA 10 3HB ALA 10 4.274 9.575 7.317 67 H GLU 11 H GLU 11 1.899 8.510 7.523 68 HA GLU 11 HA GLU 11 2.280 5.957 8.813 69 HB2 GLU 11 1HB GLU 11 0.012 7.949 8.821 70 HB3 GLU 11 2HB GLU 11 0.035 6.470 9.812 71 HG2 GLU 11 1HG GLU 11 2.065 7.326 11.030 72 HG3 GLU 11 2HG GLU 11 2.055 8.673 9.868 73 H ALA 12 H ALA 12 0.009 7.097 6.335 74 HA ALA 12 HA ALA 12 -1.514 4.685 6.190 75 HB1 ALA 12 1HB ALA 12 -2.196 5.498 3.966 76 HB2 ALA 12 2HB ALA 12 -2.269 6.792 5.185 77 HB3 ALA 12 3HB ALA 12 -0.919 6.733 4.029 78 H LYS 13 H LYS 13 1.470 5.706 4.569 79 HA LYS 13 HA LYS 13 1.671 3.398 2.851 80 HB2 LYS 13 1HB LYS 13 3.709 5.328 3.957 81 HB3 LYS 13 2HB LYS 13 4.107 4.018 2.819 82 HG2 LYS 13 1HG LYS 13 2.561 5.001 1.163 83 HG3 LYS 13 2HG LYS 13 2.200 6.323 2.298 84 HD2 LYS 13 1HD LYS 13 4.547 7.024 2.260 85 HD3 LYS 13 2HD LYS 13 4.943 5.676 1.168 86 HE2 LYS 13 1HE LYS 13 3.356 6.617 -0.501 87 HE3 LYS 13 2HE LYS 13 3.093 8.005 0.578 88 HZ1 LYS 13 3HZ LYS 13 5.674 7.236 -0.623 89 HZ2 LYS 13 1HZ LYS 13 4.727 8.493 -1.113 90 HZ3 LYS 13 2HZ LYS 13 5.430 8.524 0.379 91 H GLU 14 H GLU 14 2.822 4.075 6.133 92 HA GLU 14 HA GLU 14 4.354 1.650 6.406 93 HB2 GLU 14 1HB GLU 14 3.016 3.483 8.395 94 HB3 GLU 14 2HB GLU 14 3.988 2.067 8.864 95 HG2 GLU 14 1HG GLU 14 6.018 3.104 7.827 96 HG3 GLU 14 2HG GLU 14 4.929 4.358 7.192 97 H LYS 15 H LYS 15 0.960 2.437 7.053 98 HA LYS 15 HA LYS 15 0.367 -0.131 8.271 99 HB2 LYS 15 1HB LYS 15 -1.352 2.009 7.016 100 HB3 LYS 15 2HB LYS 15 -1.999 0.534 7.774 101 HG2 LYS 15 1HG LYS 15 -1.002 1.190 9.921 102 HG3 LYS 15 2HG LYS 15 -0.330 2.655 9.167 103 HD2 LYS 15 1HD LYS 15 -2.636 3.396 8.619 104 HD3 LYS 15 2HD LYS 15 -3.273 1.961 9.458 105 HE2 LYS 15 1HE LYS 15 -2.238 2.709 11.549 106 HE3 LYS 15 2HE LYS 15 -1.566 4.131 10.717 107 HZ1 LYS 15 3HZ LYS 15 -4.436 3.541 11.057 108 HZ2 LYS 15 1HZ LYS 15 -3.581 4.666 11.908 109 HZ3 LYS 15 2HZ LYS 15 -3.815 4.859 10.286 110 H ALA 16 H ALA 16 0.022 1.180 4.985 111 HA ALA 16 HA ALA 16 -1.265 -1.156 3.924 112 HB1 ALA 16 1HB ALA 16 -0.654 -0.222 1.727 113 HB2 ALA 16 2HB ALA 16 -1.351 1.020 2.793 114 HB3 ALA 16 3HB ALA 16 0.408 0.959 2.526 115 H ILE 17 H ILE 17 2.144 -0.134 4.040 116 HA ILE 17 HA ILE 17 3.141 -2.454 2.608 117 HB ILE 17 HB ILE 17 4.468 -0.481 4.517 118 HG12 ILE 17 1HG1 ILE 17 4.770 -0.807 1.546 119 HG13 ILE 17 2HG1 ILE 17 3.642 0.326 2.323 120 HG21 ILE 17 1HG2 ILE 17 6.612 -1.442 3.752 121 HG22 ILE 17 2HG2 ILE 17 5.631 -2.662 4.596 122 HG23 ILE 17 3HG2 ILE 17 5.729 -2.673 2.819 123 HD11 ILE 17 3HD1 ILE 17 6.664 0.332 2.636 124 HD12 ILE 17 1HD1 ILE 17 5.718 1.464 1.644 125 HD13 ILE 17 2HD1 ILE 17 5.535 1.466 3.414 126 H LYS 18 H LYS 18 2.717 -1.750 6.056 127 HA LYS 18 HA LYS 18 3.758 -4.169 7.091 128 HB2 LYS 18 1HB LYS 18 2.991 -2.288 8.453 129 HB3 LYS 18 2HB LYS 18 1.312 -2.622 7.966 130 HG2 LYS 18 1HG LYS 18 1.402 -4.800 9.087 131 HG3 LYS 18 2HG LYS 18 3.097 -4.506 9.543 132 HD2 LYS 18 1HD LYS 18 2.425 -2.579 10.892 133 HD3 LYS 18 2HD LYS 18 0.731 -2.806 10.398 134 HE2 LYS 18 1HE LYS 18 0.713 -5.018 11.467 135 HE3 LYS 18 2HE LYS 18 2.407 -4.795 11.959 136 HZ1 LYS 18 3HZ LYS 18 0.135 -3.126 12.828 137 HZ2 LYS 18 1HZ LYS 18 0.887 -4.274 13.744 138 HZ3 LYS 18 2HZ LYS 18 1.707 -2.918 13.285 139 H ASP 19 H ASP 19 0.432 -3.510 5.959 140 HA ASP 19 HA ASP 19 -0.545 -6.166 6.329 141 HB2 ASP 19 1HB ASP 19 -1.402 -4.008 4.308 142 HB3 ASP 19 2HB ASP 19 -2.084 -5.630 4.580 143 H LEU 20 H LEU 20 0.991 -4.653 3.491 144 HA LEU 20 HA LEU 20 0.753 -6.881 1.746 145 HB2 LEU 20 1HB LEU 20 2.758 -4.760 2.095 146 HB3 LEU 20 2HB LEU 20 2.889 -5.822 0.673 147 HG LEU 20 HG LEU 20 0.563 -3.969 1.326 148 HD11 LEU 20 1HD1 LEU 20 1.331 -2.705 -0.700 149 HD12 LEU 20 2HD1 LEU 20 2.597 -2.756 0.549 150 HD13 LEU 20 3HD1 LEU 20 2.698 -3.832 -0.866 151 HD21 LEU 20 3HD2 LEU 20 -0.179 -5.984 0.198 152 HD22 LEU 20 1HD2 LEU 20 -0.287 -4.593 -0.908 153 HD23 LEU 20 2HD2 LEU 20 1.049 -5.760 -1.071 154 H LYS 21 H LYS 21 3.310 -6.081 4.086 155 HA LYS 21 HA LYS 21 4.967 -8.347 3.432 156 HB2 LYS 21 1HB LYS 21 4.699 -6.618 5.889 157 HB3 LYS 21 2HB LYS 21 5.881 -7.940 5.749 158 HG2 LYS 21 1HG LYS 21 6.883 -6.816 3.786 159 HG3 LYS 21 2HG LYS 21 5.723 -5.479 3.976 160 HD2 LYS 21 1HD LYS 21 6.630 -4.969 6.186 161 HD3 LYS 21 2HD LYS 21 7.746 -6.351 6.067 162 HE2 LYS 21 1HE LYS 21 8.842 -5.315 4.136 163 HE3 LYS 21 2HE LYS 21 7.714 -3.942 4.223 164 HZ1 LYS 21 3HZ LYS 21 9.651 -4.703 6.312 165 HZ2 LYS 21 1HZ LYS 21 9.813 -3.435 5.270 166 HZ3 LYS 21 2HZ LYS 21 8.605 -3.430 6.394 167 H ILE 22 H ILE 22 2.257 -7.899 5.645 168 HA ILE 22 HA ILE 22 2.509 -10.445 6.990 169 HB ILE 22 HB ILE 22 0.122 -8.627 6.447 170 HG12 ILE 22 1HG1 ILE 22 1.550 -9.225 9.021 171 HG13 ILE 22 2HG1 ILE 22 1.957 -7.866 7.948 172 HG21 ILE 22 1HG2 ILE 22 -1.107 -10.013 8.083 173 HG22 ILE 22 2HG2 ILE 22 -0.640 -10.969 6.658 174 HG23 ILE 22 3HG2 ILE 22 0.275 -11.131 8.174 175 HD11 ILE 22 3HD1 ILE 22 -0.727 -8.324 9.296 176 HD12 ILE 22 1HD1 ILE 22 0.498 -7.135 9.793 177 HD13 ILE 22 2HD1 ILE 22 -0.320 -6.965 8.221 178 H TYR 23 H TYR 23 1.093 -9.517 3.916 179 HA TYR 23 HA TYR 23 -0.091 -12.208 3.580 180 HB2 TYR 23 1HB TYR 23 0.040 -9.757 1.817 181 HB3 TYR 23 2HB TYR 23 -0.717 -11.296 1.340 182 HD1 TYR 23 2HD TYR 23 -2.518 -12.202 3.072 183 HD2 TYR 23 1HD TYR 23 -1.327 -8.121 2.751 184 HE1 TYR 23 2HE TYR 23 -4.630 -11.513 4.156 185 HE2 TYR 23 1HE TYR 23 -3.438 -7.411 3.836 186 HH TYR 23 HH TYR 23 -5.898 -9.770 4.891 187 H GLY 24 H GLY 24 2.946 -10.900 3.256 188 HA2 GLY 24 1HA GLY 24 4.843 -12.111 2.578 189 HA3 GLY 24 2HA GLY 24 3.790 -13.286 1.759 190 H ILE 25 H ILE 25 3.387 -9.852 1.247 191 HA ILE 25 HA ILE 25 3.955 -10.158 -1.626 192 HB ILE 25 HB ILE 25 3.284 -7.696 0.053 193 HG12 ILE 25 1HG1 ILE 25 1.509 -9.298 0.081 194 HG13 ILE 25 2HG1 ILE 25 1.075 -7.866 -0.879 195 HG21 ILE 25 1HG2 ILE 25 2.798 -6.629 -2.123 196 HG22 ILE 25 2HG2 ILE 25 4.500 -7.134 -2.025 197 HG23 ILE 25 3HG2 ILE 25 3.339 -8.100 -2.966 198 HD11 ILE 25 3HD1 ILE 25 1.954 -10.553 -1.992 199 HD12 ILE 25 1HD1 ILE 25 0.287 -9.934 -1.961 200 HD13 ILE 25 2HD1 ILE 25 1.520 -9.120 -2.953 201 H GLY 26 H GLY 26 5.573 -9.475 -2.815 202 HA2 GLY 26 1HA GLY 26 8.104 -9.325 -1.384 203 HA3 GLY 26 2HA GLY 26 7.872 -9.333 -3.148 204 H GLU 27 H GLU 27 9.795 -7.718 -2.249 205 HA GLU 27 HA GLU 27 8.912 -5.099 -1.390 206 HB2 GLU 27 1HB GLU 27 11.468 -6.113 -2.637 207 HB3 GLU 27 2HB GLU 27 11.220 -4.428 -2.118 208 HG2 GLU 27 1HG GLU 27 10.890 -5.249 0.262 209 HG3 GLU 27 2HG GLU 27 11.077 -6.882 -0.417 210 H HIS 28 H HIS 28 9.298 -6.624 -4.510 211 HA HIS 28 HA HIS 28 9.453 -4.391 -6.206 212 HB2 HIS 28 1HB HIS 28 9.520 -6.701 -7.064 213 HB3 HIS 28 2HB HIS 28 7.819 -6.939 -6.599 214 HD2 HIS 28 2HD HIS 28 5.954 -6.176 -8.596 215 HE1 HIS 28 1HE HIS 28 8.831 -4.261 -11.066 216 H TYR 29 H TYR 29 6.629 -5.674 -4.505 217 HA TYR 29 HA TYR 29 4.907 -3.627 -5.807 218 HB2 TYR 29 1HB TYR 29 4.281 -5.883 -3.891 219 HB3 TYR 29 2HB TYR 29 3.088 -4.777 -4.616 220 HD1 TYR 29 2HD TYR 29 2.779 -4.811 -7.127 221 HD2 TYR 29 1HD TYR 29 5.035 -7.794 -5.080 222 HE1 TYR 29 2HE TYR 29 2.583 -6.294 -9.095 223 HE2 TYR 29 1HE TYR 29 4.849 -9.293 -7.043 224 HH TYR 29 HH TYR 29 3.251 -8.267 -10.051 225 H ILE 30 H ILE 30 6.401 -4.378 -2.727 226 HA ILE 30 HA ILE 30 5.016 -2.431 -1.126 227 HB ILE 30 HB ILE 30 7.850 -3.548 -1.006 228 HG12 ILE 30 1HG1 ILE 30 5.496 -3.998 0.806 229 HG13 ILE 30 2HG1 ILE 30 5.918 -5.040 -0.573 230 HG21 ILE 30 1HG2 ILE 30 8.002 -2.512 1.233 231 HG22 ILE 30 2HG2 ILE 30 7.814 -1.276 -0.031 232 HG23 ILE 30 3HG2 ILE 30 6.424 -1.731 0.981 233 HD11 ILE 30 3HD1 ILE 30 7.675 -4.490 1.845 234 HD12 ILE 30 1HD1 ILE 30 6.757 -5.982 1.544 235 HD13 ILE 30 2HD1 ILE 30 8.099 -5.531 0.466 236 H LYS 31 H LYS 31 7.611 -2.104 -3.465 237 HA LYS 31 HA LYS 31 8.330 0.591 -2.762 238 HB2 LYS 31 1HB LYS 31 8.509 -0.989 -5.325 239 HB3 LYS 31 2HB LYS 31 9.123 0.672 -5.154 240 HG2 LYS 31 1HG LYS 31 10.678 -0.057 -3.411 241 HG3 LYS 31 2HG LYS 31 10.039 -1.715 -3.516 242 HD2 LYS 31 1HD LYS 31 10.779 -1.844 -5.868 243 HD3 LYS 31 2HD LYS 31 11.437 -0.196 -5.744 244 HE2 LYS 31 1HE LYS 31 12.967 -0.939 -3.969 245 HE3 LYS 31 2HE LYS 31 12.310 -2.588 -4.093 246 HZ1 LYS 31 3HZ LYS 31 13.722 -1.139 -6.240 247 HZ2 LYS 31 1HZ LYS 31 14.360 -2.352 -5.323 248 HZ3 LYS 31 2HZ LYS 31 13.112 -2.667 -6.356 249 H LEU 32 H LEU 32 5.716 -0.756 -4.666 250 HA LEU 32 HA LEU 32 4.943 1.628 -6.037 251 HB2 LEU 32 1HB LEU 32 3.450 -0.668 -4.955 252 HB3 LEU 32 2HB LEU 32 2.626 0.469 -6.048 253 HG LEU 32 HG LEU 32 5.022 -1.274 -6.747 254 HD11 LEU 32 1HD1 LEU 32 3.400 -2.469 -8.242 255 HD12 LEU 32 2HD1 LEU 32 2.901 -2.568 -6.537 256 HD13 LEU 32 3HD1 LEU 32 2.094 -1.423 -7.636 257 HD21 LEU 32 3HD2 LEU 32 5.063 0.843 -7.930 258 HD22 LEU 32 1HD2 LEU 32 4.658 -0.474 -9.057 259 HD23 LEU 32 2HD2 LEU 32 3.380 0.613 -8.461 260 H ILE 33 H ILE 33 4.172 0.440 -2.792 261 HA ILE 33 HA ILE 33 2.367 2.667 -2.199 262 HB ILE 33 HB ILE 33 3.844 0.717 -0.371 263 HG12 ILE 33 1HG1 ILE 33 2.321 -0.402 -1.836 264 HG13 ILE 33 2HG1 ILE 33 1.730 -0.411 -0.158 265 HG21 ILE 33 1HG2 ILE 33 2.235 1.460 1.353 266 HG22 ILE 33 2HG2 ILE 33 3.237 2.815 0.786 267 HG23 ILE 33 3HG2 ILE 33 1.561 2.648 0.212 268 HD11 ILE 33 3HD1 ILE 33 0.747 1.413 -2.379 269 HD12 ILE 33 1HD1 ILE 33 -0.110 -0.011 -1.747 270 HD13 ILE 33 2HD1 ILE 33 0.156 1.405 -0.701 271 H GLU 34 H GLU 34 5.796 2.017 -1.646 272 HA GLU 34 HA GLU 34 6.279 4.374 -0.072 273 HB2 GLU 34 1HB GLU 34 8.051 2.733 -1.883 274 HB3 GLU 34 2HB GLU 34 8.632 4.084 -0.879 275 HG2 GLU 34 1HG GLU 34 7.899 2.808 1.192 276 HG3 GLU 34 2HG GLU 34 7.303 1.576 0.057 277 H LYS 35 H LYS 35 5.887 3.866 -3.502 278 HA LYS 35 HA LYS 35 7.003 6.566 -4.084 279 HB2 LYS 35 1HB LYS 35 6.075 4.309 -5.864 280 HB3 LYS 35 2HB LYS 35 6.670 5.883 -6.442 281 HG2 LYS 35 1HG LYS 35 8.856 5.437 -5.390 282 HG3 LYS 35 2HG LYS 35 8.260 3.856 -4.832 283 HD2 LYS 35 1HD LYS 35 7.878 3.189 -7.186 284 HD3 LYS 35 2HD LYS 35 8.533 4.755 -7.721 285 HE2 LYS 35 1HE LYS 35 10.676 4.215 -6.607 286 HE3 LYS 35 2HE LYS 35 10.017 2.629 -6.144 287 HZ1 LYS 35 3HZ LYS 35 10.398 3.584 -8.908 288 HZ2 LYS 35 1HZ LYS 35 11.356 2.489 -8.132 289 HZ3 LYS 35 2HZ LYS 35 9.787 2.114 -8.479 290 H ALA 36 H ALA 36 4.168 5.469 -3.000 291 HA ALA 36 HA ALA 36 2.307 6.741 -4.797 292 HB1 ALA 36 1HB ALA 36 0.715 6.540 -2.925 293 HB2 ALA 36 2HB ALA 36 1.602 5.020 -3.195 294 HB3 ALA 36 3HB ALA 36 2.050 6.085 -1.842 295 H LYS 37 H LYS 37 1.028 8.629 -4.388 296 HA LYS 37 HA LYS 37 2.723 10.783 -3.161 297 HB2 LYS 37 1HB LYS 37 0.787 10.906 -5.479 298 HB3 LYS 37 2HB LYS 37 1.660 12.289 -4.778 299 HG2 LYS 37 1HG LYS 37 3.804 11.259 -5.433 300 HG3 LYS 37 2HG LYS 37 2.920 9.893 -6.155 301 HD2 LYS 37 1HD LYS 37 1.811 11.437 -7.720 302 HD3 LYS 37 2HD LYS 37 2.697 12.803 -6.999 303 HE2 LYS 37 1HE LYS 37 4.821 11.832 -7.690 304 HE3 LYS 37 2HE LYS 37 3.983 10.403 -8.335 305 HZ1 LYS 37 3HZ LYS 37 3.676 13.164 -9.328 306 HZ2 LYS 37 1HZ LYS 37 4.538 11.969 -10.070 307 HZ3 LYS 37 2HZ LYS 37 2.899 11.838 -9.928 308 H GLN 38 H GLN 38 -0.268 9.149 -3.042 309 HA GLN 38 HA GLN 38 -1.206 11.002 -0.944 310 HB2 GLN 38 1HB GLN 38 -3.368 11.342 -1.923 311 HB3 GLN 38 2HB GLN 38 -2.109 11.955 -3.020 312 HG2 GLN 38 1HG GLN 38 -2.505 9.627 -4.408 313 HG3 GLN 38 2HG GLN 38 -3.677 9.535 -3.071 314 HE21 GLN 38 2HE2 GLN 38 -4.450 9.337 -5.739 315 HE22 GLN 38 1HE2 GLN 38 -5.376 10.738 -6.168 316 H VAL 39 H VAL 39 -3.002 10.201 0.271 317 HA VAL 39 HA VAL 39 -2.561 7.441 0.991 318 HB VAL 39 HB VAL 39 -4.831 9.353 1.676 319 HG11 VAL 39 1HG1 VAL 39 -5.344 7.764 3.499 320 HG12 VAL 39 2HG1 VAL 39 -5.535 6.995 1.906 321 HG13 VAL 39 3HG1 VAL 39 -4.090 6.659 2.888 322 HG21 VAL 39 3HG2 VAL 39 -2.670 10.107 2.473 323 HG22 VAL 39 1HG2 VAL 39 -3.689 9.562 3.826 324 HG23 VAL 39 2HG2 VAL 39 -2.375 8.522 3.228 325 H ALA 40 H ALA 40 -4.993 8.982 -1.050 326 HA ALA 40 HA ALA 40 -6.651 6.717 -1.426 327 HB1 ALA 40 1HB ALA 40 -7.295 7.779 -3.555 328 HB2 ALA 40 2HB ALA 40 -7.244 8.960 -2.224 329 HB3 ALA 40 3HB ALA 40 -5.920 8.898 -3.410 330 H ALA 41 H ALA 41 -3.673 7.683 -3.119 331 HA ALA 41 HA ALA 41 -3.675 5.444 -4.922 332 HB1 ALA 41 1HB ALA 41 -1.307 6.025 -5.289 333 HB2 ALA 41 2HB ALA 41 -2.350 7.466 -5.345 334 HB3 ALA 41 3HB ALA 41 -1.367 7.134 -3.899 335 H VAL 42 H VAL 42 -2.344 5.954 -1.682 336 HA VAL 42 HA VAL 42 -0.847 3.505 -1.484 337 HB VAL 42 HB VAL 42 -2.291 5.155 0.630 338 HG11 VAL 42 1HG1 VAL 42 -0.933 3.892 2.266 339 HG12 VAL 42 2HG1 VAL 42 -2.025 2.811 1.369 340 HG13 VAL 42 3HG1 VAL 42 -0.296 2.876 0.951 341 HG21 VAL 42 3HG2 VAL 42 -0.489 6.341 -0.473 342 HG22 VAL 42 1HG2 VAL 42 -0.046 5.933 1.200 343 HG23 VAL 42 2HG2 VAL 42 0.624 4.989 -0.152 344 H GLU 43 H GLU 43 -4.253 4.194 -0.733 345 HA GLU 43 HA GLU 43 -4.742 1.481 0.194 346 HB2 GLU 43 1HB GLU 43 -6.565 3.730 -0.665 347 HB3 GLU 43 2HB GLU 43 -7.137 2.165 -0.041 348 HG2 GLU 43 1HG GLU 43 -5.980 2.650 2.159 349 HG3 GLU 43 2HG GLU 43 -5.386 4.131 1.374 350 H ASP 44 H ASP 44 -5.266 3.196 -2.870 351 HA ASP 44 HA ASP 44 -6.666 1.015 -4.144 352 HB2 ASP 44 1HB ASP 44 -5.137 3.404 -5.337 353 HB3 ASP 44 2HB ASP 44 -5.987 2.085 -6.177 354 H LEU 45 H LEU 45 -3.245 1.963 -4.041 355 HA LEU 45 HA LEU 45 -2.353 -0.103 -5.843 356 HB2 LEU 45 1HB LEU 45 -1.156 1.498 -3.694 357 HB3 LEU 45 2HB LEU 45 -0.094 0.365 -4.560 358 HG LEU 45 HG LEU 45 -1.626 2.673 -5.819 359 HD11 LEU 45 1HD1 LEU 45 0.639 3.711 -6.109 360 HD12 LEU 45 2HD1 LEU 45 0.262 3.452 -4.390 361 HD13 LEU 45 3HD1 LEU 45 1.363 2.339 -5.237 362 HD21 LEU 45 3HD2 LEU 45 -1.333 0.809 -7.341 363 HD22 LEU 45 1HD2 LEU 45 -0.289 2.163 -7.833 364 HD23 LEU 45 2HD2 LEU 45 0.411 0.759 -6.992 365 H LYS 46 H LYS 46 -2.645 0.045 -2.303 366 HA LYS 46 HA LYS 46 -1.407 -2.481 -1.781 367 HB2 LYS 46 1HB LYS 46 -1.861 -0.759 -0.088 368 HB3 LYS 46 2HB LYS 46 -3.605 -1.065 -0.263 369 HG2 LYS 46 1HG LYS 46 -1.961 -3.450 0.344 370 HG3 LYS 46 2HG LYS 46 -2.005 -2.220 1.629 371 HD2 LYS 46 1HD LYS 46 -4.475 -3.345 0.273 372 HD3 LYS 46 2HD LYS 46 -3.798 -3.990 1.788 373 HE2 LYS 46 1HE LYS 46 -4.138 -1.881 2.908 374 HE3 LYS 46 2HE LYS 46 -4.634 -1.104 1.387 375 HZ1 LYS 46 3HZ LYS 46 -6.088 -3.275 2.757 376 HZ2 LYS 46 1HZ LYS 46 -6.527 -1.685 2.747 377 HZ3 LYS 46 2HZ LYS 46 -6.549 -2.555 1.346 378 H ASP 47 H ASP 47 -4.829 -1.640 -2.319 379 HA ASP 47 HA ASP 47 -5.773 -4.352 -1.991 380 HB2 ASP 47 1HB ASP 47 -7.049 -1.919 -3.377 381 HB3 ASP 47 2HB ASP 47 -7.682 -3.575 -3.213 382 H GLU 48 H GLU 48 -4.815 -2.437 -4.824 383 HA GLU 48 HA GLU 48 -5.482 -4.445 -6.773 384 HB2 GLU 48 1HB GLU 48 -5.052 -2.087 -7.299 385 HB3 GLU 48 2HB GLU 48 -3.347 -2.306 -6.833 386 HG2 GLU 48 1HG GLU 48 -3.076 -3.951 -8.751 387 HG3 GLU 48 2HG GLU 48 -4.809 -3.684 -9.047 388 H ILE 49 H ILE 49 -2.461 -3.753 -5.019 389 HA ILE 49 HA ILE 49 -0.871 -5.774 -6.280 390 HB ILE 49 HB ILE 49 -0.778 -4.564 -3.482 391 HG12 ILE 49 1HG1 ILE 49 1.125 -4.177 -5.766 392 HG13 ILE 49 2HG1 ILE 49 -0.331 -3.180 -5.541 393 HG21 ILE 49 1HG2 ILE 49 1.466 -5.583 -3.288 394 HG22 ILE 49 2HG2 ILE 49 0.210 -6.831 -3.450 395 HG23 ILE 49 3HG2 ILE 49 1.227 -6.408 -4.846 396 HD11 ILE 49 3HD1 ILE 49 1.946 -3.476 -3.552 397 HD12 ILE 49 1HD1 ILE 49 1.660 -2.071 -4.604 398 HD13 ILE 49 2HD1 ILE 49 0.489 -2.479 -3.327 399 H LEU 50 H LEU 50 -2.954 -5.975 -3.410 400 HA LEU 50 HA LEU 50 -2.247 -8.735 -2.890 401 HB2 LEU 50 1HB LEU 50 -4.482 -6.969 -2.155 402 HB3 LEU 50 2HB LEU 50 -4.410 -8.594 -1.437 403 HG LEU 50 HG LEU 50 -2.361 -6.370 -1.089 404 HD11 LEU 50 1HD1 LEU 50 -3.119 -6.405 1.302 405 HD12 LEU 50 2HD1 LEU 50 -4.462 -6.007 0.205 406 HD13 LEU 50 3HD1 LEU 50 -4.324 -7.646 0.886 407 HD21 LEU 50 3HD2 LEU 50 -1.299 -8.548 -1.132 408 HD22 LEU 50 1HD2 LEU 50 -1.274 -7.893 0.522 409 HD23 LEU 50 2HD2 LEU 50 -2.444 -9.163 0.085 410 H LYS 51 H LYS 51 -5.037 -7.195 -4.485 411 HA LYS 51 HA LYS 51 -6.426 -9.675 -4.956 412 HB2 LYS 51 1HB LYS 51 -6.564 -6.959 -6.262 413 HB3 LYS 51 2HB LYS 51 -7.633 -8.315 -6.692 414 HG2 LYS 51 1HG LYS 51 -8.515 -8.370 -4.408 415 HG3 LYS 51 2HG LYS 51 -7.419 -7.049 -3.940 416 HD2 LYS 51 1HD LYS 51 -8.514 -5.552 -5.546 417 HD3 LYS 51 2HD LYS 51 -9.595 -6.872 -6.051 418 HE2 LYS 51 1HE LYS 51 -10.490 -7.004 -3.758 419 HE3 LYS 51 2HE LYS 51 -9.427 -5.663 -3.273 420 HZ1 LYS 51 3HZ LYS 51 -11.566 -5.509 -5.299 421 HZ2 LYS 51 1HZ LYS 51 -11.650 -4.902 -3.767 422 HZ3 LYS 51 2HZ LYS 51 -10.580 -4.264 -4.851 423 H ALA 52 H ALA 52 -3.802 -8.088 -6.582 424 HA ALA 52 HA ALA 52 -4.110 -9.295 -9.151 425 HB1 ALA 52 1HB ALA 52 -1.715 -8.789 -9.443 426 HB2 ALA 52 2HB ALA 52 -2.594 -7.408 -8.744 427 HB3 ALA 52 3HB ALA 52 -1.580 -8.438 -7.705 428 H HIS 53 H HIS 53 -2.833 -10.505 -6.121 429 HA HIS 53 HA HIS 53 -2.108 -13.061 -7.516 430 HB2 HIS 53 1HB HIS 53 -0.726 -11.691 -5.167 431 HB3 HIS 53 2HB HIS 53 -0.386 -13.353 -5.700 432 HD2 HIS 53 2HD HIS 53 0.893 -9.769 -6.436 433 HE1 HIS 53 1HE HIS 53 2.088 -12.298 -9.633 434 H ASP 54 H ASP 54 -4.588 -12.001 -6.070 435 HA ASP 54 HA ASP 54 -6.201 -12.895 -4.653 436 HB2 ASP 54 1HB ASP 54 -4.693 -15.535 -5.140 437 HB3 ASP 54 2HB ASP 54 -6.277 -15.203 -4.398 438 H ARG 55 H ARG 55 -3.848 -11.722 -3.473 439 HA ARG 55 HA ARG 55 -3.657 -13.297 -0.939 440 HB2 ARG 55 1HB ARG 55 -2.110 -10.867 -1.716 441 HB3 ARG 55 2HB ARG 55 -1.884 -11.910 -0.293 442 HG2 ARG 55 1HG ARG 55 -1.522 -12.798 -3.171 443 HG3 ARG 55 2HG ARG 55 -0.200 -12.295 -2.090 444 HD2 ARG 55 1HD ARG 55 -2.056 -14.604 -1.609 445 HD3 ARG 55 2HD ARG 55 -0.426 -14.713 -2.314 446 HE ARG 55 HE ARG 55 0.046 -13.596 0.227 447 HH11 ARG 55 1HH1 ARG 55 -1.758 -16.396 -0.803 448 HH12 ARG 55 2HH1 ARG 55 -1.380 -17.203 0.707 449 HH21 ARG 55 1HH2 ARG 55 0.482 -14.502 1.964 450 HH22 ARG 55 2HH2 ARG 55 -0.104 -16.123 2.286 451 H PHE 56 H PHE 56 -5.801 -11.282 -2.198 452 HA PHE 56 HA PHE 56 -5.994 -9.246 -0.120 453 HB2 PHE 56 1HB PHE 56 -6.889 -8.898 -2.422 454 HB3 PHE 56 2HB PHE 56 -8.082 -10.186 -2.134 455 HD1 PHE 56 1HD PHE 56 -6.949 -6.864 -0.921 456 HD2 PHE 56 2HD PHE 56 -10.112 -9.728 -1.141 457 HE1 PHE 56 1HE PHE 56 -8.519 -5.200 0.017 458 HE2 PHE 56 2HE PHE 56 -11.685 -8.066 -0.205 459 HZ PHE 56 HZ PHE 56 -10.887 -5.801 0.375 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 -8.280 -9.115 4.266 2 H2 ASN 1 2H ASN 1 -7.355 -9.016 3.090 3 H3 ASN 1 H ASN 1 -6.862 -8.648 4.490 4 H3 ASN 1 3H ASN 1 -6.861 -8.672 4.463 5 HA ASN 1 HA ASN 1 -7.934 -6.804 2.617 6 HB2 ASN 1 1HB ASN 1 -10.257 -7.592 3.777 7 HB3 ASN 1 2HB ASN 1 -9.295 -6.922 5.116 8 HD21 ASN 1 2HD2 ASN 1 -11.892 -6.135 3.924 9 HD22 ASN 1 1HD2 ASN 1 -11.720 -4.459 3.524 10 H GLY 2 H GLY 2 -6.341 -5.440 2.727 11 HA2 GLY 2 1HA GLY 2 -4.799 -4.915 5.074 12 HA3 GLY 2 2HA GLY 2 -4.812 -3.935 3.590 13 H ASP 3 H ASP 3 -4.653 -3.008 6.344 14 HA ASP 3 HA ASP 3 -7.307 -2.191 7.233 15 HB2 ASP 3 1HB ASP 3 -4.495 -1.408 8.206 16 HB3 ASP 3 2HB ASP 3 -6.078 -0.810 8.761 17 H LYS 4 H LYS 4 -8.096 -0.087 7.496 18 HA LYS 4 HA LYS 4 -7.849 1.569 5.169 19 HB2 LYS 4 1HB LYS 4 -9.812 1.494 6.656 20 HB3 LYS 4 2HB LYS 4 -8.849 2.275 7.932 21 HG2 LYS 4 1HG LYS 4 -8.598 4.278 6.556 22 HG3 LYS 4 2HG LYS 4 -9.487 3.497 5.226 23 HD2 LYS 4 1HD LYS 4 -11.482 3.326 6.672 24 HD3 LYS 4 2HD LYS 4 -10.592 4.133 7.984 25 HE2 LYS 4 1HE LYS 4 -10.303 6.120 6.557 26 HE3 LYS 4 2HE LYS 4 -11.213 5.314 5.258 27 HZ1 LYS 4 3HZ LYS 4 -12.274 6.001 7.924 28 HZ2 LYS 4 1HZ LYS 4 -12.603 6.808 6.524 29 HZ3 LYS 4 2HZ LYS 4 -13.118 5.253 6.720 30 H GLY 5 H GLY 5 -6.797 3.404 4.708 31 HA2 GLY 5 1HA GLY 5 -4.208 3.666 5.989 32 HA3 GLY 5 2HA GLY 5 -4.835 4.646 4.643 33 H TYR 6 H TYR 6 -3.319 5.609 6.883 34 HA TYR 6 HA TYR 6 -5.231 7.002 8.648 35 HB2 TYR 6 1HB TYR 6 -2.228 7.111 8.329 36 HB3 TYR 6 2HB TYR 6 -3.148 8.105 9.485 37 HD1 TYR 6 2HD TYR 6 -4.335 7.009 11.378 38 HD2 TYR 6 1HD TYR 6 -1.782 4.795 8.778 39 HE1 TYR 6 2HE TYR 6 -4.260 5.175 13.032 40 HE2 TYR 6 1HE TYR 6 -1.696 2.946 10.425 41 HH TYR 6 HH TYR 6 -3.442 3.108 13.531 42 H ASN 7 H ASN 7 -5.024 9.355 8.979 43 HA ASN 7 HA ASN 7 -5.588 10.765 6.533 44 HB2 ASN 7 1HB ASN 7 -5.024 12.008 9.332 45 HB3 ASN 7 2HB ASN 7 -5.373 12.643 7.706 46 HD21 ASN 7 2HD2 ASN 7 -6.862 12.748 10.272 47 HD22 ASN 7 1HD2 ASN 7 -8.441 12.136 9.904 48 H GLY 8 H GLY 8 -2.661 10.441 8.492 49 HA2 GLY 8 1HA GLY 8 -1.144 12.277 6.804 50 HA3 GLY 8 2HA GLY 8 -0.499 11.207 8.069 51 H LEU 9 H LEU 9 0.221 11.822 5.149 52 HA LEU 9 HA LEU 9 -0.329 9.459 3.597 53 HB2 LEU 9 1HB LEU 9 0.192 11.453 2.625 54 HB3 LEU 9 2HB LEU 9 1.808 11.640 3.344 55 HG LEU 9 HG LEU 9 2.506 9.555 2.119 56 HD11 LEU 9 1HD1 LEU 9 1.081 8.843 0.179 57 HD12 LEU 9 2HD1 LEU 9 0.222 8.634 1.723 58 HD13 LEU 9 3HD1 LEU 9 -0.155 10.022 0.675 59 HD21 LEU 9 3HD2 LEU 9 3.109 11.754 1.297 60 HD22 LEU 9 1HD2 LEU 9 2.764 10.669 -0.071 61 HD23 LEU 9 2HD2 LEU 9 1.563 11.885 0.426 62 H ALA 10 H ALA 10 2.535 10.445 5.481 63 HA ALA 10 HA ALA 10 4.075 8.133 4.848 64 HB1 ALA 10 1HB ALA 10 5.426 8.747 6.816 65 HB2 ALA 10 2HB ALA 10 5.058 10.167 5.809 66 HB3 ALA 10 3HB ALA 10 4.164 9.894 7.323 67 H GLU 11 H GLU 11 1.733 8.762 7.430 68 HA GLU 11 HA GLU 11 2.202 6.270 8.828 69 HB2 GLU 11 1HB GLU 11 -0.140 8.173 8.739 70 HB3 GLU 11 2HB GLU 11 -0.066 6.734 9.785 71 HG2 GLU 11 1HG GLU 11 1.939 7.725 10.968 72 HG3 GLU 11 2HG GLU 11 1.832 9.045 9.780 73 H ALA 12 H ALA 12 -0.093 7.264 6.304 74 HA ALA 12 HA ALA 12 -1.474 4.752 6.204 75 HB1 ALA 12 1HB ALA 12 -2.265 5.525 4.002 76 HB2 ALA 12 2HB ALA 12 -2.402 6.804 5.231 77 HB3 ALA 12 3HB ALA 12 -1.079 6.850 4.043 78 H LYS 13 H LYS 13 1.428 5.972 4.591 79 HA LYS 13 HA LYS 13 1.639 3.742 2.746 80 HB2 LYS 13 1HB LYS 13 3.582 5.828 3.730 81 HB3 LYS 13 2HB LYS 13 4.017 4.566 2.552 82 HG2 LYS 13 1HG LYS 13 2.485 5.425 0.931 83 HG3 LYS 13 2HG LYS 13 1.740 6.518 2.122 84 HD2 LYS 13 1HD LYS 13 3.168 7.863 0.764 85 HD3 LYS 13 2HD LYS 13 3.988 7.657 2.330 86 HE2 LYS 13 1HE LYS 13 5.588 6.227 1.463 87 HE3 LYS 13 2HE LYS 13 4.553 5.722 0.108 88 HZ1 LYS 13 3HZ LYS 13 5.848 8.358 0.387 89 HZ2 LYS 13 1HZ LYS 13 6.341 7.148 -0.622 90 HZ3 LYS 13 2HZ LYS 13 4.888 7.890 -0.871 91 H GLU 14 H GLU 14 3.178 4.503 5.867 92 HA GLU 14 HA GLU 14 4.766 2.099 5.957 93 HB2 GLU 14 1HB GLU 14 3.712 3.956 8.088 94 HB3 GLU 14 2HB GLU 14 4.766 2.564 8.431 95 HG2 GLU 14 1HG GLU 14 6.592 3.610 7.058 96 HG3 GLU 14 2HG GLU 14 5.400 4.853 6.619 97 H LYS 15 H LYS 15 1.521 2.884 7.172 98 HA LYS 15 HA LYS 15 1.092 0.376 8.505 99 HB2 LYS 15 1HB LYS 15 -0.264 2.369 8.891 100 HB3 LYS 15 2HB LYS 15 -0.873 2.279 7.221 101 HG2 LYS 15 1HG LYS 15 -2.560 1.398 8.714 102 HG3 LYS 15 2HG LYS 15 -1.880 0.063 7.754 103 HD2 LYS 15 1HD LYS 15 -0.460 -0.602 9.616 104 HD3 LYS 15 2HD LYS 15 -1.023 0.788 10.575 105 HE2 LYS 15 1HE LYS 15 -3.306 -0.103 10.546 106 HE3 LYS 15 2HE LYS 15 -2.764 -1.481 9.561 107 HZ1 LYS 15 3HZ LYS 15 -1.854 -0.868 12.300 108 HZ2 LYS 15 1HZ LYS 15 -2.921 -2.057 11.888 109 HZ3 LYS 15 2HZ LYS 15 -1.351 -2.146 11.388 110 H ALA 16 H ALA 16 0.339 1.456 5.197 111 HA ALA 16 HA ALA 16 -0.967 -0.935 4.380 112 HB1 ALA 16 1HB ALA 16 -0.450 -0.197 2.088 113 HB2 ALA 16 2HB ALA 16 -1.060 1.146 3.084 114 HB3 ALA 16 3HB ALA 16 0.679 1.015 2.734 115 H ILE 17 H ILE 17 2.467 -0.005 4.256 116 HA ILE 17 HA ILE 17 3.351 -2.417 2.923 117 HB ILE 17 HB ILE 17 4.792 -0.415 4.716 118 HG12 ILE 17 1HG1 ILE 17 4.995 -0.862 1.753 119 HG13 ILE 17 2HG1 ILE 17 3.926 0.336 2.518 120 HG21 ILE 17 1HG2 ILE 17 6.884 -1.471 3.927 121 HG22 ILE 17 2HG2 ILE 17 5.891 -2.626 4.845 122 HG23 ILE 17 3HG2 ILE 17 5.936 -2.707 3.068 123 HD11 ILE 17 3HD1 ILE 17 6.956 0.256 2.742 124 HD12 ILE 17 1HD1 ILE 17 6.016 1.380 1.735 125 HD13 ILE 17 2HD1 ILE 17 5.887 1.454 3.509 126 H LYS 18 H LYS 18 3.055 -1.563 6.349 127 HA LYS 18 HA LYS 18 4.170 -3.994 7.366 128 HB2 LYS 18 1HB LYS 18 2.098 -2.084 8.443 129 HB3 LYS 18 2HB LYS 18 2.699 -3.490 9.353 130 HG2 LYS 18 1HG LYS 18 4.973 -2.583 9.289 131 HG3 LYS 18 2HG LYS 18 4.405 -1.195 8.330 132 HD2 LYS 18 1HD LYS 18 2.924 -0.529 10.193 133 HD3 LYS 18 2HD LYS 18 3.532 -1.899 11.153 134 HE2 LYS 18 1HE LYS 18 5.800 -0.974 11.059 135 HE3 LYS 18 2HE LYS 18 5.212 0.384 10.072 136 HZ1 LYS 18 3HZ LYS 18 4.378 -0.210 12.838 137 HZ2 LYS 18 1HZ LYS 18 5.416 0.990 12.387 138 HZ3 LYS 18 2HZ LYS 18 3.834 1.049 11.923 139 H ASP 19 H ASP 19 0.906 -3.187 6.265 140 HA ASP 19 HA ASP 19 -0.238 -5.745 7.025 141 HB2 ASP 19 1HB ASP 19 -1.175 -3.627 4.998 142 HB3 ASP 19 2HB ASP 19 -1.914 -5.193 5.412 143 H LEU 20 H LEU 20 1.302 -4.493 4.092 144 HA LEU 20 HA LEU 20 0.723 -6.799 2.466 145 HB2 LEU 20 1HB LEU 20 2.840 -4.756 2.480 146 HB3 LEU 20 2HB LEU 20 2.742 -5.884 1.108 147 HG LEU 20 HG LEU 20 0.618 -3.868 1.935 148 HD11 LEU 20 1HD1 LEU 20 1.197 -2.752 -0.236 149 HD12 LEU 20 2HD1 LEU 20 2.604 -2.822 0.851 150 HD13 LEU 20 3HD1 LEU 20 2.468 -3.968 -0.504 151 HD21 LEU 20 3HD2 LEU 20 -0.369 -5.884 1.019 152 HD22 LEU 20 1HD2 LEU 20 -0.537 -4.545 -0.141 153 HD23 LEU 20 2HD2 LEU 20 0.701 -5.798 -0.401 154 H LYS 21 H LYS 21 3.296 -6.048 4.748 155 HA LYS 21 HA LYS 21 5.015 -8.245 4.058 156 HB2 LYS 21 1HB LYS 21 4.582 -6.669 6.591 157 HB3 LYS 21 2HB LYS 21 5.782 -7.977 6.456 158 HG2 LYS 21 1HG LYS 21 6.907 -6.748 4.636 159 HG3 LYS 21 2HG LYS 21 5.716 -5.436 4.794 160 HD2 LYS 21 1HD LYS 21 6.449 -5.011 7.087 161 HD3 LYS 21 2HD LYS 21 7.593 -6.370 6.991 162 HE2 LYS 21 1HE LYS 21 8.807 -5.235 5.188 163 HE3 LYS 21 2HE LYS 21 7.654 -3.882 5.256 164 HZ1 LYS 21 3HZ LYS 21 9.452 -4.715 7.443 165 HZ2 LYS 21 1HZ LYS 21 9.668 -3.398 6.474 166 HZ3 LYS 21 2HZ LYS 21 8.383 -3.460 7.507 167 H ILE 22 H ILE 22 2.088 -8.033 5.961 168 HA ILE 22 HA ILE 22 2.369 -10.562 7.336 169 HB ILE 22 HB ILE 22 -0.084 -8.946 6.512 170 HG12 ILE 22 1HG1 ILE 22 1.148 -9.333 9.224 171 HG13 ILE 22 2HG1 ILE 22 1.510 -7.967 8.144 172 HG21 ILE 22 1HG2 ILE 22 -1.340 -10.391 8.076 173 HG22 ILE 22 2HG2 ILE 22 -0.654 -11.341 6.738 174 HG23 ILE 22 3HG2 ILE 22 0.119 -11.374 8.340 175 HD11 ILE 22 3HD1 ILE 22 -1.224 -8.667 9.273 176 HD12 ILE 22 1HD1 ILE 22 -0.174 -7.345 9.833 177 HD13 ILE 22 2HD1 ILE 22 -0.862 -7.300 8.193 178 H TYR 23 H TYR 23 1.214 -9.715 4.127 179 HA TYR 23 HA TYR 23 0.189 -12.469 3.735 180 HB2 TYR 23 1HB TYR 23 0.260 -10.049 1.922 181 HB3 TYR 23 2HB TYR 23 -0.494 -11.615 1.532 182 HD1 TYR 23 2HD TYR 23 -2.474 -12.382 2.888 183 HD2 TYR 23 1HD TYR 23 -0.905 -8.432 3.224 184 HE1 TYR 23 2HE TYR 23 -4.579 -11.648 3.955 185 HE2 TYR 23 1HE TYR 23 -3.008 -7.679 4.295 186 HH TYR 23 HH TYR 23 -5.078 -8.273 5.016 187 H GLY 24 H GLY 24 3.160 -11.101 3.658 188 HA2 GLY 24 1HA GLY 24 5.161 -11.966 2.842 189 HA3 GLY 24 2HA GLY 24 4.245 -13.263 2.042 190 H ILE 25 H ILE 25 3.578 -9.828 1.613 191 HA ILE 25 HA ILE 25 3.664 -10.108 -1.286 192 HB ILE 25 HB ILE 25 3.497 -7.623 0.482 193 HG12 ILE 25 1HG1 ILE 25 1.673 -9.193 0.809 194 HG13 ILE 25 2HG1 ILE 25 1.162 -7.645 0.098 195 HG21 ILE 25 1HG2 ILE 25 2.665 -6.506 -1.560 196 HG22 ILE 25 2HG2 ILE 25 4.318 -7.120 -1.795 197 HG23 ILE 25 3HG2 ILE 25 2.936 -8.000 -2.488 198 HD11 ILE 25 3HD1 ILE 25 1.554 -10.252 -1.412 199 HD12 ILE 25 1HD1 ILE 25 -0.010 -9.538 -0.956 200 HD13 ILE 25 2HD1 ILE 25 1.043 -8.704 -2.124 201 H GLY 26 H GLY 26 5.067 -9.568 -2.768 202 HA2 GLY 26 1HA GLY 26 7.824 -9.641 -1.949 203 HA3 GLY 26 2HA GLY 26 7.220 -9.410 -3.605 204 H GLU 27 H GLU 27 9.480 -8.081 -2.629 205 HA GLU 27 HA GLU 27 8.889 -5.504 -1.482 206 HB2 GLU 27 1HB GLU 27 11.239 -6.563 -3.052 207 HB3 GLU 27 2HB GLU 27 11.175 -4.931 -2.343 208 HG2 GLU 27 1HG GLU 27 11.000 -5.961 -0.041 209 HG3 GLU 27 2HG GLU 27 10.947 -7.528 -0.881 210 H HIS 28 H HIS 28 9.017 -6.692 -4.787 211 HA HIS 28 HA HIS 28 9.061 -4.244 -6.190 212 HB2 HIS 28 1HB HIS 28 9.145 -6.400 -7.363 213 HB3 HIS 28 2HB HIS 28 7.495 -6.787 -6.820 214 HD2 HIS 28 2HD HIS 28 5.449 -5.858 -8.556 215 HE1 HIS 28 1HE HIS 28 8.056 -3.509 -10.952 216 H TYR 29 H TYR 29 6.335 -5.861 -4.598 217 HA TYR 29 HA TYR 29 4.480 -3.769 -5.574 218 HB2 TYR 29 1HB TYR 29 4.087 -6.200 -3.818 219 HB3 TYR 29 2HB TYR 29 2.796 -5.086 -4.330 220 HD1 TYR 29 1HD TYR 29 5.122 -7.728 -5.436 221 HD2 TYR 29 2HD TYR 29 1.952 -5.127 -6.607 222 HE1 TYR 29 1HE TYR 29 4.823 -9.043 -7.514 223 HE2 TYR 29 2HE TYR 29 1.639 -6.428 -8.685 224 HH TYR 29 HH TYR 29 2.338 -8.201 -9.932 225 H ILE 30 H ILE 30 6.224 -4.631 -2.663 226 HA ILE 30 HA ILE 30 4.939 -2.694 -0.930 227 HB ILE 30 HB ILE 30 7.737 -3.904 -0.968 228 HG12 ILE 30 1HG1 ILE 30 5.455 -4.321 0.942 229 HG13 ILE 30 2HG1 ILE 30 5.789 -5.350 -0.470 230 HG21 ILE 30 1HG2 ILE 30 8.025 -2.917 1.280 231 HG22 ILE 30 2HG2 ILE 30 7.814 -1.651 0.048 232 HG23 ILE 30 3HG2 ILE 30 6.460 -2.086 1.116 233 HD11 ILE 30 3HD1 ILE 30 7.664 -4.889 1.876 234 HD12 ILE 30 1HD1 ILE 30 6.693 -6.351 1.592 235 HD13 ILE 30 2HD1 ILE 30 7.999 -5.917 0.462 236 H LYS 31 H LYS 31 7.487 -2.439 -3.345 237 HA LYS 31 HA LYS 31 8.234 0.263 -2.671 238 HB2 LYS 31 1HB LYS 31 8.443 -1.395 -5.180 239 HB3 LYS 31 2HB LYS 31 9.025 0.284 -5.081 240 HG2 LYS 31 1HG LYS 31 10.590 -0.337 -3.307 241 HG3 LYS 31 2HG LYS 31 9.980 -2.008 -3.332 242 HD2 LYS 31 1HD LYS 31 10.729 -2.244 -5.668 243 HD3 LYS 31 2HD LYS 31 11.348 -0.576 -5.635 244 HE2 LYS 31 1HE LYS 31 12.898 -1.183 -3.830 245 HE3 LYS 31 2HE LYS 31 12.278 -2.849 -3.853 246 HZ1 LYS 31 3HZ LYS 31 13.652 -1.500 -6.088 247 HZ2 LYS 31 1HZ LYS 31 14.319 -2.642 -5.102 248 HZ3 LYS 31 2HZ LYS 31 13.077 -3.046 -6.111 249 H LEU 32 H LEU 32 5.640 -1.110 -4.588 250 HA LEU 32 HA LEU 32 4.827 1.238 -5.976 251 HB2 LEU 32 1HB LEU 32 3.365 -1.016 -4.772 252 HB3 LEU 32 2HB LEU 32 2.492 0.104 -5.844 253 HG LEU 32 HG LEU 32 4.825 -1.692 -6.614 254 HD11 LEU 32 1HD1 LEU 32 3.121 -2.844 -8.050 255 HD12 LEU 32 2HD1 LEU 32 2.670 -2.912 -6.329 256 HD13 LEU 32 3HD1 LEU 32 1.870 -1.750 -7.414 257 HD21 LEU 32 3HD2 LEU 32 4.903 0.412 -7.815 258 HD22 LEU 32 1HD2 LEU 32 4.420 -0.898 -8.918 259 HD23 LEU 32 2HD2 LEU 32 3.197 0.236 -8.294 260 H ILE 33 H ILE 33 3.982 0.104 -2.709 261 HA ILE 33 HA ILE 33 2.353 2.418 -2.068 262 HB ILE 33 HB ILE 33 3.914 0.499 -0.276 263 HG12 ILE 33 1HG1 ILE 33 2.220 -0.578 -1.620 264 HG13 ILE 33 2HG1 ILE 33 1.836 -0.593 0.117 265 HG21 ILE 33 1HG2 ILE 33 2.466 1.355 1.536 266 HG22 ILE 33 2HG2 ILE 33 3.461 2.656 0.843 267 HG23 ILE 33 3HG2 ILE 33 1.742 2.523 0.407 268 HD11 ILE 33 3HD1 ILE 33 0.625 1.270 -1.956 269 HD12 ILE 33 1HD1 ILE 33 -0.174 -0.146 -1.235 270 HD13 ILE 33 2HD1 ILE 33 0.242 1.255 -0.219 271 H GLU 34 H GLU 34 5.802 1.738 -1.768 272 HA GLU 34 HA GLU 34 6.408 4.069 -0.195 273 HB2 GLU 34 1HB GLU 34 8.050 2.398 -2.097 274 HB3 GLU 34 2HB GLU 34 8.713 3.740 -1.132 275 HG2 GLU 34 1HG GLU 34 8.063 2.482 0.982 276 HG3 GLU 34 2HG GLU 34 7.390 1.257 -0.119 277 H LYS 35 H LYS 35 5.717 3.633 -3.564 278 HA LYS 35 HA LYS 35 6.819 6.322 -4.217 279 HB2 LYS 35 1HB LYS 35 5.577 4.153 -5.915 280 HB3 LYS 35 2HB LYS 35 6.149 5.725 -6.523 281 HG2 LYS 35 1HG LYS 35 8.439 5.165 -5.782 282 HG3 LYS 35 2HG LYS 35 7.857 3.583 -5.210 283 HD2 LYS 35 1HD LYS 35 7.135 3.041 -7.522 284 HD3 LYS 35 2HD LYS 35 7.799 4.598 -8.072 285 HE2 LYS 35 1HE LYS 35 10.033 3.912 -7.283 286 HE3 LYS 35 2HE LYS 35 9.362 2.346 -6.772 287 HZ1 LYS 35 3HZ LYS 35 9.420 3.365 -9.540 288 HZ2 LYS 35 1HZ LYS 35 10.415 2.202 -8.925 289 HZ3 LYS 35 2HZ LYS 35 8.797 1.913 -9.067 290 H ALA 36 H ALA 36 4.143 5.295 -2.755 291 HA ALA 36 HA ALA 36 2.079 6.606 -4.291 292 HB1 ALA 36 1HB ALA 36 0.729 6.370 -2.242 293 HB2 ALA 36 2HB ALA 36 1.562 4.852 -2.654 294 HB3 ALA 36 3HB ALA 36 2.183 5.883 -1.343 295 H LYS 37 H LYS 37 1.108 8.571 -4.061 296 HA LYS 37 HA LYS 37 2.647 10.575 -2.437 297 HB2 LYS 37 1HB LYS 37 1.176 10.935 -5.053 298 HB3 LYS 37 2HB LYS 37 1.935 12.232 -4.100 299 HG2 LYS 37 1HG LYS 37 4.141 11.197 -4.435 300 HG3 LYS 37 2HG LYS 37 3.387 9.890 -5.379 301 HD2 LYS 37 1HD LYS 37 2.582 11.556 -7.019 302 HD3 LYS 37 2HD LYS 37 3.378 12.845 -6.084 303 HE2 LYS 37 1HE LYS 37 5.555 11.798 -6.457 304 HE3 LYS 37 2HE LYS 37 4.779 10.467 -7.345 305 HZ1 LYS 37 3HZ LYS 37 4.772 13.303 -8.158 306 HZ2 LYS 37 1HZ LYS 37 5.694 12.114 -8.834 307 HZ3 LYS 37 2HZ LYS 37 4.052 12.069 -8.982 308 H GLN 38 H GLN 38 -0.359 9.060 -2.994 309 HA GLN 38 HA GLN 38 -1.639 11.035 -1.143 310 HB2 GLN 38 1HB GLN 38 -2.903 9.660 -3.525 311 HB3 GLN 38 2HB GLN 38 -3.754 10.666 -2.329 312 HG2 GLN 38 1HG GLN 38 -2.173 12.702 -3.252 313 HG3 GLN 38 2HG GLN 38 -1.698 11.306 -4.249 314 HE21 GLN 38 2HE2 GLN 38 -2.700 13.814 -5.209 315 HE22 GLN 38 1HE2 GLN 38 -4.202 13.501 -6.015 316 H VAL 39 H VAL 39 -3.130 10.263 0.305 317 HA VAL 39 HA VAL 39 -2.732 7.552 1.256 318 HB VAL 39 HB VAL 39 -4.894 9.610 1.864 319 HG11 VAL 39 1HG1 VAL 39 -5.403 8.193 3.824 320 HG12 VAL 39 2HG1 VAL 39 -5.685 7.310 2.305 321 HG13 VAL 39 3HG1 VAL 39 -4.218 6.990 3.261 322 HG21 VAL 39 3HG2 VAL 39 -2.675 10.329 2.523 323 HG22 VAL 39 1HG2 VAL 39 -3.664 9.937 3.950 324 HG23 VAL 39 2HG2 VAL 39 -2.417 8.796 3.391 325 H ALA 40 H ALA 40 -5.285 9.053 -0.694 326 HA ALA 40 HA ALA 40 -6.903 6.721 -0.918 327 HB1 ALA 40 1HB ALA 40 -7.788 7.779 -2.960 328 HB2 ALA 40 2HB ALA 40 -7.667 8.944 -1.621 329 HB3 ALA 40 3HB ALA 40 -6.456 8.957 -2.924 330 H ALA 41 H ALA 41 -4.054 7.785 -2.737 331 HA ALA 41 HA ALA 41 -4.128 5.667 -4.669 332 HB1 ALA 41 1HB ALA 41 -1.758 6.227 -5.049 333 HB2 ALA 41 2HB ALA 41 -2.772 7.688 -4.982 334 HB3 ALA 41 3HB ALA 41 -1.765 7.238 -3.586 335 H VAL 42 H VAL 42 -2.621 5.946 -1.466 336 HA VAL 42 HA VAL 42 -1.287 3.402 -1.441 337 HB VAL 42 HB VAL 42 -2.558 5.024 0.801 338 HG11 VAL 42 1HG1 VAL 42 -1.240 3.593 2.327 339 HG12 VAL 42 2HG1 VAL 42 -2.427 2.633 1.412 340 HG13 VAL 42 3HG1 VAL 42 -0.710 2.606 0.943 341 HG21 VAL 42 3HG2 VAL 42 -0.713 6.147 -0.298 342 HG22 VAL 42 1HG2 VAL 42 -0.250 5.625 1.338 343 HG23 VAL 42 2HG2 VAL 42 0.316 4.711 -0.081 344 H GLU 43 H GLU 43 -4.627 4.256 -0.591 345 HA GLU 43 HA GLU 43 -5.253 1.523 0.212 346 HB2 GLU 43 1HB GLU 43 -6.932 3.953 -0.412 347 HB3 GLU 43 2HB GLU 43 -7.614 2.383 0.081 348 HG2 GLU 43 1HG GLU 43 -6.284 2.589 2.271 349 HG3 GLU 43 2HG GLU 43 -5.759 4.155 1.613 350 H ASP 44 H ASP 44 -5.437 3.362 -2.773 351 HA ASP 44 HA ASP 44 -6.924 1.330 -4.229 352 HB2 ASP 44 1HB ASP 44 -5.115 3.623 -5.200 353 HB3 ASP 44 2HB ASP 44 -5.954 2.377 -6.157 354 H LEU 45 H LEU 45 -3.524 1.889 -3.509 355 HA LEU 45 HA LEU 45 -2.540 -0.008 -5.472 356 HB2 LEU 45 1HB LEU 45 -1.523 1.311 -3.060 357 HB3 LEU 45 2HB LEU 45 -0.432 0.161 -3.866 358 HG LEU 45 HG LEU 45 -1.637 2.625 -5.179 359 HD11 LEU 45 1HD1 LEU 45 0.673 3.591 -5.007 360 HD12 LEU 45 2HD1 LEU 45 -0.007 3.252 -3.399 361 HD13 LEU 45 3HD1 LEU 45 1.193 2.146 -4.109 362 HD21 LEU 45 3HD2 LEU 45 -1.134 0.839 -6.739 363 HD22 LEU 45 1HD2 LEU 45 0.018 2.178 -6.958 364 HD23 LEU 45 2HD2 LEU 45 0.520 0.704 -6.096 365 H LYS 46 H LYS 46 -3.135 -0.198 -1.964 366 HA LYS 46 HA LYS 46 -2.119 -2.828 -1.595 367 HB2 LYS 46 1HB LYS 46 -3.349 -2.878 0.429 368 HB3 LYS 46 2HB LYS 46 -2.720 -1.229 0.197 369 HG2 LYS 46 1HG LYS 46 -4.895 -0.421 -0.458 370 HG3 LYS 46 2HG LYS 46 -5.556 -2.073 -0.472 371 HD2 LYS 46 1HD LYS 46 -5.221 -2.261 1.937 372 HD3 LYS 46 2HD LYS 46 -4.468 -0.649 1.979 373 HE2 LYS 46 1HE LYS 46 -6.540 0.396 1.299 374 HE3 LYS 46 2HE LYS 46 -7.307 -1.192 1.062 375 HZ1 LYS 46 3HZ LYS 46 -6.366 -0.110 3.641 376 HZ2 LYS 46 1HZ LYS 46 -7.940 -0.201 3.156 377 HZ3 LYS 46 2HZ LYS 46 -7.077 -1.582 3.422 378 H ASP 47 H ASP 47 -5.214 -1.718 -2.836 379 HA ASP 47 HA ASP 47 -6.491 -4.324 -2.733 380 HB2 ASP 47 1HB ASP 47 -7.152 -1.813 -4.387 381 HB3 ASP 47 2HB ASP 47 -7.970 -3.394 -4.359 382 H GLU 48 H GLU 48 -4.807 -2.513 -5.297 383 HA GLU 48 HA GLU 48 -5.191 -4.591 -7.283 384 HB2 GLU 48 1HB GLU 48 -3.267 -2.275 -7.068 385 HB3 GLU 48 2HB GLU 48 -3.360 -3.367 -8.472 386 HG2 GLU 48 1HG GLU 48 -5.751 -2.612 -8.856 387 HG3 GLU 48 2HG GLU 48 -5.542 -1.637 -7.383 388 H ILE 49 H ILE 49 -2.735 -3.932 -4.857 389 HA ILE 49 HA ILE 49 -0.809 -5.864 -5.867 390 HB ILE 49 HB ILE 49 -1.246 -4.634 -3.110 391 HG12 ILE 49 1HG1 ILE 49 0.964 -4.158 -5.082 392 HG13 ILE 49 2HG1 ILE 49 -0.531 -3.195 -5.022 393 HG21 ILE 49 1HG2 ILE 49 0.971 -5.562 -2.536 394 HG22 ILE 49 2HG2 ILE 49 -0.188 -6.859 -2.905 395 HG23 ILE 49 3HG2 ILE 49 1.034 -6.389 -4.110 396 HD11 ILE 49 3HD1 ILE 49 1.478 -3.503 -2.764 397 HD12 ILE 49 1HD1 ILE 49 1.298 -2.076 -3.809 398 HD13 ILE 49 2HD1 ILE 49 -0.017 -2.541 -2.703 399 H LEU 50 H LEU 50 -3.207 -6.058 -3.235 400 HA LEU 50 HA LEU 50 -2.675 -8.848 -2.735 401 HB2 LEU 50 1HB LEU 50 -4.931 -7.029 -2.242 402 HB3 LEU 50 2HB LEU 50 -5.011 -8.675 -1.574 403 HG LEU 50 HG LEU 50 -2.943 -6.549 -0.891 404 HD11 LEU 50 1HD1 LEU 50 -4.016 -6.602 1.376 405 HD12 LEU 50 2HD1 LEU 50 -5.180 -6.118 0.120 406 HD13 LEU 50 3HD1 LEU 50 -5.207 -7.776 0.768 407 HD21 LEU 50 3HD2 LEU 50 -1.978 -8.773 -0.852 408 HD22 LEU 50 1HD2 LEU 50 -2.149 -8.157 0.808 409 HD23 LEU 50 2HD2 LEU 50 -3.303 -9.361 0.182 410 H LYS 51 H LYS 51 -4.846 -7.157 -4.926 411 HA LYS 51 HA LYS 51 -6.312 -9.480 -5.795 412 HB2 LYS 51 1HB LYS 51 -7.009 -7.183 -6.252 413 HB3 LYS 51 2HB LYS 51 -5.572 -6.950 -7.275 414 HG2 LYS 51 1HG LYS 51 -6.388 -8.647 -8.841 415 HG3 LYS 51 2HG LYS 51 -7.804 -8.942 -7.804 416 HD2 LYS 51 1HD LYS 51 -8.560 -6.638 -8.150 417 HD3 LYS 51 2HD LYS 51 -7.125 -6.304 -9.148 418 HE2 LYS 51 1HE LYS 51 -7.851 -8.043 -10.745 419 HE3 LYS 51 2HE LYS 51 -9.304 -8.326 -9.759 420 HZ1 LYS 51 3HZ LYS 51 -8.608 -5.792 -11.102 421 HZ2 LYS 51 1HZ LYS 51 -9.755 -6.864 -11.611 422 HZ3 LYS 51 2HZ LYS 51 -9.956 -6.053 -10.187 423 H ALA 52 H ALA 52 -3.308 -7.969 -6.968 424 HA ALA 52 HA ALA 52 -2.949 -9.700 -9.196 425 HB1 ALA 52 1HB ALA 52 -0.586 -9.003 -9.100 426 HB2 ALA 52 2HB ALA 52 -1.685 -7.616 -8.907 427 HB3 ALA 52 3HB ALA 52 -0.861 -8.304 -7.488 428 H HIS 53 H HIS 53 -2.183 -10.099 -5.784 429 HA HIS 53 HA HIS 53 -0.775 -12.655 -6.354 430 HB2 HIS 53 1HB HIS 53 -1.189 -11.041 -3.800 431 HB3 HIS 53 2HB HIS 53 -0.397 -12.634 -3.847 432 HD2 HIS 53 2HD HIS 53 0.573 -8.881 -4.259 433 HE1 HIS 53 1HE HIS 53 3.752 -11.285 -5.729 434 H ASP 54 H ASP 54 -3.907 -11.613 -5.871 435 HA ASP 54 HA ASP 54 -5.876 -12.708 -5.294 436 HB2 ASP 54 1HB ASP 54 -4.258 -15.252 -5.916 437 HB3 ASP 54 2HB ASP 54 -6.000 -15.003 -5.640 438 H ARG 55 H ARG 55 -4.343 -11.876 -3.158 439 HA ARG 55 HA ARG 55 -5.109 -13.951 -1.148 440 HB2 ARG 55 1HB ARG 55 -2.503 -12.496 -1.187 441 HB3 ARG 55 2HB ARG 55 -3.153 -13.444 0.172 442 HG2 ARG 55 1HG ARG 55 -2.606 -14.583 -2.583 443 HG3 ARG 55 2HG ARG 55 -1.443 -14.640 -1.236 444 HD2 ARG 55 1HD ARG 55 -3.097 -15.892 0.071 445 HD3 ARG 55 2HD ARG 55 -4.155 -15.918 -1.358 446 HE ARG 55 HE ARG 55 -1.736 -17.636 -1.044 447 HH11 ARG 55 1HH1 ARG 55 -4.204 -16.438 -3.194 448 HH12 ARG 55 2HH1 ARG 55 -3.865 -17.738 -4.319 449 HH21 ARG 55 1HH2 ARG 55 -1.341 -19.136 -2.317 450 HH22 ARG 55 2HH2 ARG 55 -2.233 -19.279 -3.819 451 H PHE 56 H PHE 56 -6.479 -11.579 -2.077 452 HA PHE 56 HA PHE 56 -6.174 -9.450 -0.157 453 HB2 PHE 56 1HB PHE 56 -7.386 -9.223 -2.344 454 HB3 PHE 56 2HB PHE 56 -8.675 -10.265 -1.698 455 HD1 PHE 56 1HD PHE 56 -6.935 -7.030 -1.247 456 HD2 PHE 56 2HD PHE 56 -10.366 -9.411 -0.349 457 HE1 PHE 56 1HE PHE 56 -8.061 -5.045 -0.297 458 HE2 PHE 56 2HE PHE 56 -11.497 -7.428 0.599 459 HZ PHE 56 HZ PHE 56 -10.343 -5.244 0.626
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