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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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649608 |
6kg9 ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -3 H1 GLY -3 6.649 -1.058 11.151 2 H2 GLY -3 H2 GLY -3 7.130 -1.244 9.519 3 H3 GLY -3 H3 GLY -3 5.558 -1.706 10.009 4 HA2 GLY -3 HA3 GLY -3 5.590 0.337 8.804 5 HA3 GLY -3 HA2 GLY -3 5.011 0.534 10.457 6 H SER -2 H SER -2 6.382 2.425 8.512 7 HA SER -2 HA SER -2 8.804 3.026 9.944 8 HB2 SER -2 HB2 SER -2 8.644 3.250 7.427 9 HB3 SER -2 HB3 SER -2 7.469 4.535 7.645 10 HG SER -2 HG SER -2 9.809 5.057 7.318 11 H ALA -1 H ALA -1 8.526 5.882 9.773 12 HA ALA -1 HA ALA -1 7.425 6.290 12.357 13 HB1 ALA -1 HB1 ALA -1 8.214 8.557 12.191 14 HB2 ALA -1 HB2 ALA -1 8.462 8.363 10.456 15 HB3 ALA -1 HB3 ALA -1 9.433 7.430 11.594 16 H SER 0 H SER 0 5.325 5.710 12.012 17 HA SER 0 HA SER 0 3.483 7.875 12.025 18 HB2 SER 0 HB2 SER 0 3.067 5.691 9.909 19 HB3 SER 0 HB3 SER 0 1.929 6.981 10.289 20 HG SER 0 HG SER 0 4.289 8.045 9.730 21 H ASN 1 H ASN 1 3.824 4.455 11.444 22 HA ASN 1 HA ASN 1 3.688 3.156 13.751 23 HB2 ASN 1 HB2 ASN 1 1.328 4.252 14.113 24 HB3 ASN 1 HB3 ASN 1 0.815 3.292 12.733 25 HD21 ASN 1 HD21 ASN 1 1.797 3.208 16.048 26 HD22 ASN 1 HD22 ASN 1 1.300 1.589 16.364 27 H THR 2 H THR 2 1.698 3.326 10.950 28 HA THR 2 HA THR 2 2.904 0.925 9.807 29 HB THR 2 HB THR 2 0.085 1.993 9.667 30 HG1 THR 2 HG1 THR 2 1.314 0.066 11.265 31 HG21 THR 2 HG21 THR 2 -0.429 -0.105 8.485 32 HG22 THR 2 HG22 THR 2 1.277 -0.551 8.559 33 HG23 THR 2 HG23 THR 2 0.773 0.847 7.616 34 H ILE 3 H ILE 3 3.346 1.187 7.543 35 HA ILE 3 HA ILE 3 2.810 3.862 6.563 36 HB ILE 3 HB ILE 3 5.163 3.735 6.840 37 HG12 ILE 3 HG12 ILE 3 4.607 3.181 3.921 38 HG13 ILE 3 HG13 ILE 3 4.441 4.745 4.703 39 HG21 ILE 3 HG21 ILE 3 6.576 1.939 5.819 40 HG22 ILE 3 HG22 ILE 3 5.068 1.024 5.569 41 HG23 ILE 3 HG23 ILE 3 5.568 1.471 7.181 42 HD11 ILE 3 HD11 ILE 3 6.857 4.790 5.128 43 HD12 ILE 3 HD12 ILE 3 6.510 4.615 3.408 44 HD13 ILE 3 HD13 ILE 3 7.024 3.217 4.350 45 H LEU 4 H LEU 4 1.056 3.668 5.371 46 HA LEU 4 HA LEU 4 0.237 1.329 4.074 47 HB2 LEU 4 HB2 LEU 4 -0.631 4.163 3.522 48 HB3 LEU 4 HB3 LEU 4 -1.472 2.700 3.074 49 HG LEU 4 HG LEU 4 -1.119 3.821 5.842 50 HD11 LEU 4 HD11 LEU 4 -2.834 4.905 4.560 51 HD12 LEU 4 HD12 LEU 4 -3.556 3.914 5.831 52 HD13 LEU 4 HD13 LEU 4 -3.558 3.345 4.164 53 HD21 LEU 4 HD21 LEU 4 -2.428 1.905 6.645 54 HD22 LEU 4 HD22 LEU 4 -0.873 1.427 5.967 55 HD23 LEU 4 HD23 LEU 4 -2.355 1.185 5.030 56 H GLY 5 H GLY 5 1.059 0.464 2.337 57 HA2 GLY 5 HA2 GLY 5 1.416 0.716 -0.042 58 HA3 GLY 5 HA3 GLY 5 2.201 2.258 0.295 59 H ASP 6 H ASP 6 3.403 0.782 2.791 60 HA ASP 6 HA ASP 6 5.446 -0.597 1.261 61 HB2 ASP 6 HB2 ASP 6 6.384 1.451 2.031 62 HB3 ASP 6 HB3 ASP 6 5.773 1.200 3.657 63 H LEU 7 H LEU 7 4.695 -2.444 1.403 64 HA LEU 7 HA LEU 7 3.582 -3.662 3.733 65 HB2 LEU 7 HB2 LEU 7 4.060 -4.559 0.926 66 HB3 LEU 7 HB3 LEU 7 3.468 -5.644 2.154 67 HG LEU 7 HG LEU 7 1.433 -4.214 2.388 68 HD11 LEU 7 HD11 LEU 7 2.462 -2.737 -0.019 69 HD12 LEU 7 HD12 LEU 7 2.383 -2.079 1.613 70 HD13 LEU 7 HD13 LEU 7 0.898 -2.532 0.773 71 HD21 LEU 7 HD21 LEU 7 0.454 -4.816 0.269 72 HD22 LEU 7 HD22 LEU 7 1.415 -6.130 0.967 73 HD23 LEU 7 HD23 LEU 7 2.054 -5.174 -0.366 74 H ASN 8 H ASN 8 6.586 -3.888 1.932 75 HA ASN 8 HA ASN 8 7.421 -6.171 3.574 76 HB2 ASN 8 HB2 ASN 8 9.385 -6.403 2.160 77 HB3 ASN 8 HB3 ASN 8 7.978 -6.263 1.128 78 HD21 ASN 8 HD21 ASN 8 10.630 -5.845 0.415 79 HD22 ASN 8 HD22 ASN 8 10.831 -4.192 -0.074 80 H ASP 9 H ASP 9 7.344 -3.041 3.888 81 HA ASP 9 HA ASP 9 8.084 -1.582 5.358 82 HB2 ASP 9 HB2 ASP 9 7.461 -3.387 6.956 83 HB3 ASP 9 HB3 ASP 9 9.113 -3.988 6.861 84 H ASP 10 H ASP 10 9.499 -1.226 3.466 85 HA ASP 10 HA ASP 10 12.273 -1.291 4.371 86 HB2 ASP 10 HB2 ASP 10 13.112 -1.467 2.035 87 HB3 ASP 10 HB3 ASP 10 12.068 -2.806 2.492 88 H GLY 11 H GLY 11 9.736 0.626 3.902 89 HA2 GLY 11 HA2 GLY 11 9.717 2.868 4.435 90 HA3 GLY 11 HA3 GLY 11 11.439 2.961 4.102 91 H VAL 12 H VAL 12 9.676 1.462 1.638 92 HA VAL 12 HA VAL 12 9.066 3.929 0.265 93 HB VAL 12 HB VAL 12 11.436 3.812 -0.208 94 HG11 VAL 12 HG11 VAL 12 12.522 1.904 -1.281 95 HG12 VAL 12 HG12 VAL 12 11.004 1.002 -1.174 96 HG13 VAL 12 HG13 VAL 12 11.830 1.509 0.298 97 HG21 VAL 12 HG21 VAL 12 11.495 3.618 -2.661 98 HG22 VAL 12 HG22 VAL 12 10.087 4.523 -2.102 99 HG23 VAL 12 HG23 VAL 12 9.909 2.849 -2.624 100 H VAL 13 H VAL 13 7.524 3.699 -1.341 101 HA VAL 13 HA VAL 13 6.249 1.177 -1.567 102 HB VAL 13 HB VAL 13 4.744 2.442 -3.185 103 HG11 VAL 13 HG11 VAL 13 4.177 2.241 -0.810 104 HG12 VAL 13 HG12 VAL 13 3.696 3.828 -1.403 105 HG13 VAL 13 HG13 VAL 13 5.161 3.653 -0.439 106 HG21 VAL 13 HG21 VAL 13 6.335 4.148 -3.919 107 HG22 VAL 13 HG22 VAL 13 6.388 4.835 -2.294 108 HG23 VAL 13 HG23 VAL 13 4.906 4.915 -3.233 109 H ASN 14 H ASN 14 7.341 -0.327 -2.633 110 HA ASN 14 HA ASN 14 8.296 0.278 -5.304 111 HB2 ASN 14 HB2 ASN 14 10.299 -1.155 -4.956 112 HB3 ASN 14 HB3 ASN 14 10.347 0.308 -4.022 113 HD21 ASN 14 HD21 ASN 14 11.977 -1.679 -3.461 114 HD22 ASN 14 HD22 ASN 14 11.539 -2.345 -1.925 115 H GLY 15 H GLY 15 8.980 -1.871 -6.447 116 HA2 GLY 15 HA2 GLY 15 6.605 -3.298 -6.907 117 HA3 GLY 15 HA3 GLY 15 8.148 -3.751 -7.517 118 H ARG 16 H ARG 16 8.952 -3.796 -4.532 119 HA ARG 16 HA ARG 16 8.661 -6.636 -4.218 120 HB2 ARG 16 HB2 ARG 16 9.565 -4.697 -2.100 121 HB3 ARG 16 HB3 ARG 16 9.915 -6.413 -2.201 122 HG2 ARG 16 HG2 ARG 16 10.951 -4.254 -4.020 123 HG3 ARG 16 HG3 ARG 16 11.861 -5.123 -2.788 124 HD2 ARG 16 HD2 ARG 16 11.638 -7.182 -4.028 125 HD3 ARG 16 HD3 ARG 16 10.565 -6.375 -5.178 126 HE ARG 16 HE ARG 16 13.226 -5.295 -4.823 127 HH11 ARG 16 HH11 ARG 16 11.095 -7.281 -6.876 128 HH12 ARG 16 HH12 ARG 16 12.029 -7.048 -8.280 129 HH21 ARG 16 HH21 ARG 16 14.484 -4.996 -6.794 130 HH22 ARG 16 HH22 ARG 16 13.972 -5.742 -8.230 131 H ASP 17 H ASP 17 6.950 -3.800 -3.151 132 HA ASP 17 HA ASP 17 5.574 -5.005 -0.993 133 HB2 ASP 17 HB2 ASP 17 4.897 -2.594 -2.672 134 HB3 ASP 17 HB3 ASP 17 4.057 -3.058 -1.201 135 H ILE 18 H ILE 18 4.957 -4.550 -4.417 136 HA ILE 18 HA ILE 18 2.402 -5.471 -4.706 137 HB ILE 18 HB ILE 18 4.833 -5.655 -6.496 138 HG12 ILE 18 HG12 ILE 18 3.625 -4.107 -7.917 139 HG13 ILE 18 HG13 ILE 18 2.222 -4.216 -6.825 140 HG21 ILE 18 HG21 ILE 18 2.110 -6.669 -7.296 141 HG22 ILE 18 HG22 ILE 18 3.536 -7.656 -7.026 142 HG23 ILE 18 HG23 ILE 18 3.507 -6.500 -8.362 143 HD11 ILE 18 HD11 ILE 18 3.469 -2.160 -6.596 144 HD12 ILE 18 HD12 ILE 18 4.902 -3.106 -6.125 145 HD13 ILE 18 HD13 ILE 18 3.473 -3.129 -5.126 146 H VAL 19 H VAL 19 5.366 -7.260 -4.553 147 HA VAL 19 HA VAL 19 4.432 -9.892 -4.905 148 HB VAL 19 HB VAL 19 6.636 -9.081 -3.006 149 HG11 VAL 19 HG11 VAL 19 6.042 -11.429 -2.858 150 HG12 VAL 19 HG12 VAL 19 7.631 -11.243 -3.601 151 HG13 VAL 19 HG13 VAL 19 6.228 -11.603 -4.604 152 HG21 VAL 19 HG21 VAL 19 8.163 -9.253 -4.915 153 HG22 VAL 19 HG22 VAL 19 6.985 -7.949 -5.074 154 HG23 VAL 19 HG23 VAL 19 6.762 -9.446 -5.990 155 H MET 20 H MET 20 4.943 -8.113 -1.938 156 HA MET 20 HA MET 20 4.068 -10.030 -0.058 157 HB2 MET 20 HB2 MET 20 3.789 -7.049 0.277 158 HB3 MET 20 HB3 MET 20 4.026 -8.275 1.519 159 HG2 MET 20 HG2 MET 20 6.050 -7.580 -0.592 160 HG3 MET 20 HG3 MET 20 6.038 -6.864 0.996 161 HE1 MET 20 HE1 MET 20 6.874 -8.059 3.163 162 HE2 MET 20 HE2 MET 20 7.013 -9.808 3.314 163 HE3 MET 20 HE3 MET 20 5.441 -9.067 3.011 164 H MET 21 H MET 21 2.410 -7.389 -1.652 165 HA MET 21 HA MET 21 -0.158 -7.392 -0.608 166 HB2 MET 21 HB2 MET 21 0.827 -5.814 -2.285 167 HB3 MET 21 HB3 MET 21 0.712 -7.095 -3.471 168 HG2 MET 21 HG2 MET 21 -1.014 -5.736 -4.001 169 HG3 MET 21 HG3 MET 21 -1.879 -6.930 -3.073 170 HE1 MET 21 HE1 MET 21 -2.566 -4.714 0.186 171 HE2 MET 21 HE2 MET 21 -1.250 -5.857 0.000 172 HE3 MET 21 HE3 MET 21 -2.883 -6.289 -0.550 173 H ARG 22 H ARG 22 1.036 -9.021 -3.481 174 HA ARG 22 HA ARG 22 -1.253 -10.485 -4.099 175 HB2 ARG 22 HB2 ARG 22 1.613 -10.716 -4.860 176 HB3 ARG 22 HB3 ARG 22 0.392 -11.825 -5.502 177 HG2 ARG 22 HG2 ARG 22 -0.754 -9.923 -6.522 178 HG3 ARG 22 HG3 ARG 22 0.420 -8.830 -5.797 179 HD2 ARG 22 HD2 ARG 22 2.208 -9.752 -7.051 180 HD3 ARG 22 HD3 ARG 22 1.222 -11.068 -7.654 181 HE ARG 22 HE ARG 22 0.024 -8.705 -8.451 182 HH11 ARG 22 HH11 ARG 22 3.056 -10.419 -9.060 183 HH12 ARG 22 HH12 ARG 22 3.291 -9.811 -10.623 184 HH21 ARG 22 HH21 ARG 22 0.336 -7.840 -10.607 185 HH22 ARG 22 HH22 ARG 22 1.666 -8.301 -11.549 186 H GLN 23 H GLN 23 1.519 -11.278 -2.021 187 HA GLN 23 HA GLN 23 1.091 -14.033 -1.794 188 HB2 GLN 23 HB2 GLN 23 2.021 -12.134 0.321 189 HB3 GLN 23 HB3 GLN 23 2.265 -13.870 0.331 190 HG2 GLN 23 HG2 GLN 23 3.478 -11.878 -1.543 191 HG3 GLN 23 HG3 GLN 23 4.302 -12.710 -0.244 192 HE21 GLN 23 HE21 GLN 23 3.081 -12.889 -3.429 193 HE22 GLN 23 HE22 GLN 23 3.745 -14.417 -3.843 194 H TYR 24 H TYR 24 0.041 -11.364 0.325 195 HA TYR 24 HA TYR 24 -1.473 -13.019 2.027 196 HB2 TYR 24 HB2 TYR 24 -0.581 -10.824 2.613 197 HB3 TYR 24 HB3 TYR 24 -1.725 -10.045 1.581 198 HD1 TYR 24 HD1 TYR 24 -4.067 -9.855 2.143 199 HD2 TYR 24 HD2 TYR 24 -1.428 -11.965 4.721 200 HE1 TYR 24 HE1 TYR 24 -5.792 -9.896 3.839 201 HE2 TYR 24 HE2 TYR 24 -3.165 -12.003 6.460 202 HH TYR 24 HH TYR 24 -6.384 -11.273 5.774 203 H LEU 25 H LEU 25 -2.281 -11.007 -0.618 204 HA LEU 25 HA LEU 25 -5.088 -11.296 -0.648 205 HB2 LEU 25 HB2 LEU 25 -3.264 -10.981 -3.036 206 HB3 LEU 25 HB3 LEU 25 -5.005 -10.918 -3.136 207 HG LEU 25 HG LEU 25 -3.253 -8.956 -1.644 208 HD11 LEU 25 HD11 LEU 25 -3.019 -8.762 -4.050 209 HD12 LEU 25 HD12 LEU 25 -3.938 -7.399 -3.399 210 HD13 LEU 25 HD13 LEU 25 -4.775 -8.704 -4.227 211 HD21 LEU 25 HD21 LEU 25 -5.488 -9.158 -0.605 212 HD22 LEU 25 HD22 LEU 25 -6.227 -8.858 -2.187 213 HD23 LEU 25 HD23 LEU 25 -5.276 -7.607 -1.417 214 H ALA 26 H ALA 26 -2.642 -13.405 -2.050 215 HA ALA 26 HA ALA 26 -4.470 -15.276 -3.216 216 HB1 ALA 26 HB1 ALA 26 -2.185 -15.045 -4.016 217 HB2 ALA 26 HB2 ALA 26 -2.496 -16.705 -3.479 218 HB3 ALA 26 HB3 ALA 26 -1.580 -15.599 -2.456 219 H GLY 27 H GLY 27 -3.335 -14.757 -0.053 220 HA2 GLY 27 HA2 GLY 27 -4.451 -15.776 1.761 221 HA3 GLY 27 HA3 GLY 27 -4.626 -17.207 0.746 222 H LYS 28 H LYS 28 -1.533 -15.696 0.673 223 HA LYS 28 HA LYS 28 -0.448 -17.979 2.078 224 HB2 LYS 28 HB2 LYS 28 1.123 -15.649 0.922 225 HB3 LYS 28 HB3 LYS 28 1.719 -17.217 1.404 226 HG2 LYS 28 HG2 LYS 28 0.447 -18.212 -0.489 227 HG3 LYS 28 HG3 LYS 28 0.012 -16.559 -0.969 228 HD2 LYS 28 HD2 LYS 28 2.404 -15.978 -1.020 229 HD3 LYS 28 HD3 LYS 28 2.800 -17.659 -0.686 230 HE2 LYS 28 HE2 LYS 28 1.668 -18.285 -2.807 231 HE3 LYS 28 HE3 LYS 28 1.392 -16.573 -3.120 232 HZ1 LYS 28 HZ1 LYS 28 3.853 -16.261 -2.977 233 HZ2 LYS 28 HZ2 LYS 28 3.372 -17.212 -4.272 234 HZ3 LYS 28 HZ3 LYS 28 4.028 -17.930 -2.907 235 H THR 29 H THR 29 0.930 -17.729 3.854 236 HA THR 29 HA THR 29 0.298 -15.427 5.537 237 HB THR 29 HB THR 29 1.968 -17.836 6.340 238 HG1 THR 29 HG1 THR 29 -0.768 -17.618 5.859 239 HG21 THR 29 HG21 THR 29 0.155 -15.981 7.899 240 HG22 THR 29 HG22 THR 29 1.909 -15.861 7.830 241 HG23 THR 29 HG23 THR 29 1.151 -17.270 8.579 242 H VAL 30 H VAL 30 1.697 -13.731 5.308 243 HA VAL 30 HA VAL 30 4.234 -14.287 4.026 244 HB VAL 30 HB VAL 30 3.265 -11.546 4.609 245 HG11 VAL 30 HG11 VAL 30 4.318 -11.044 2.436 246 HG12 VAL 30 HG12 VAL 30 4.754 -12.738 2.284 247 HG13 VAL 30 HG13 VAL 30 5.425 -11.771 3.597 248 HG21 VAL 30 HG21 VAL 30 1.953 -11.496 2.516 249 HG22 VAL 30 HG22 VAL 30 1.256 -12.549 3.747 250 HG23 VAL 30 HG23 VAL 30 2.140 -13.247 2.389 251 H SER 31 H SER 31 5.820 -14.644 5.417 252 HA SER 31 HA SER 31 5.914 -13.441 8.009 253 HB2 SER 31 HB2 SER 31 6.887 -15.670 7.625 254 HB3 SER 31 HB3 SER 31 8.044 -14.981 6.488 255 HG SER 31 HG SER 31 8.767 -15.330 8.740 256 H GLY 32 H GLY 32 6.623 -11.464 8.446 257 HA2 GLY 32 HA2 GLY 32 8.218 -9.748 8.455 258 HA3 GLY 32 HA3 GLY 32 8.872 -10.371 6.947 259 H ILE 33 H ILE 33 5.476 -9.912 7.285 260 HA ILE 33 HA ILE 33 5.671 -7.688 5.408 261 HB ILE 33 HB ILE 33 4.292 -9.794 4.816 262 HG12 ILE 33 HG12 ILE 33 2.733 -7.206 4.937 263 HG13 ILE 33 HG13 ILE 33 3.960 -7.544 3.746 264 HG21 ILE 33 HG21 ILE 33 2.455 -8.723 6.955 265 HG22 ILE 33 HG22 ILE 33 3.314 -10.266 6.981 266 HG23 ILE 33 HG23 ILE 33 2.045 -9.982 5.791 267 HD11 ILE 33 HD11 ILE 33 2.624 -9.496 2.968 268 HD12 ILE 33 HD12 ILE 33 1.781 -7.975 2.760 269 HD13 ILE 33 HD13 ILE 33 1.351 -9.046 4.096 270 H ASP 34 H ASP 34 4.465 -5.779 5.922 271 HA ASP 34 HA ASP 34 3.597 -5.710 8.712 272 HB2 ASP 34 HB2 ASP 34 4.966 -3.715 7.737 273 HB3 ASP 34 HB3 ASP 34 3.514 -3.343 6.811 274 H LYS 35 H LYS 35 1.719 -6.697 8.749 275 HA LYS 35 HA LYS 35 0.125 -7.062 6.499 276 HB2 LYS 35 HB2 LYS 35 0.362 -8.577 8.480 277 HB3 LYS 35 HB3 LYS 35 -0.709 -7.491 9.349 278 HG2 LYS 35 HG2 LYS 35 -2.486 -7.937 7.723 279 HG3 LYS 35 HG3 LYS 35 -1.403 -8.992 6.834 280 HD2 LYS 35 HD2 LYS 35 -2.854 -10.345 8.224 281 HD3 LYS 35 HD3 LYS 35 -1.193 -10.459 8.798 282 HE2 LYS 35 HE2 LYS 35 -1.726 -8.790 10.554 283 HE3 LYS 35 HE3 LYS 35 -3.395 -8.770 9.990 284 HZ1 LYS 35 HZ1 LYS 35 -3.130 -10.200 11.883 285 HZ2 LYS 35 HZ2 LYS 35 -1.952 -11.109 11.101 286 HZ3 LYS 35 HZ3 LYS 35 -3.547 -11.128 10.542 287 H ASN 36 H ASN 36 0.200 -4.436 8.677 288 HA ASN 36 HA ASN 36 -2.559 -3.653 8.371 289 HB2 ASN 36 HB2 ASN 36 -0.267 -2.065 9.516 290 HB3 ASN 36 HB3 ASN 36 -1.987 -1.831 9.785 291 HD21 ASN 36 HD21 ASN 36 0.816 -3.545 10.601 292 HD22 ASN 36 HD22 ASN 36 0.186 -4.422 11.956 293 H ALA 37 H ALA 37 0.483 -3.262 6.781 294 HA ALA 37 HA ALA 37 0.012 -0.603 5.786 295 HB1 ALA 37 HB1 ALA 37 2.131 -2.613 5.078 296 HB2 ALA 37 HB2 ALA 37 2.259 -1.379 6.333 297 HB3 ALA 37 HB3 ALA 37 2.130 -0.906 4.640 298 H LEU 38 H LEU 38 -1.132 -3.521 5.033 299 HA LEU 38 HA LEU 38 -1.059 -3.415 2.179 300 HB2 LEU 38 HB2 LEU 38 -2.540 -5.187 4.093 301 HB3 LEU 38 HB3 LEU 38 -2.804 -5.249 2.370 302 HG LEU 38 HG LEU 38 -0.410 -5.869 2.075 303 HD11 LEU 38 HD11 LEU 38 -0.502 -6.021 5.021 304 HD12 LEU 38 HD12 LEU 38 0.508 -4.953 4.046 305 HD13 LEU 38 HD13 LEU 38 0.769 -6.708 4.011 306 HD21 LEU 38 HD21 LEU 38 -2.084 -7.562 2.063 307 HD22 LEU 38 HD22 LEU 38 -2.097 -7.600 3.825 308 HD23 LEU 38 HD23 LEU 38 -0.667 -8.144 2.947 309 H ASP 39 H ASP 39 -3.216 -2.286 4.676 310 HA ASP 39 HA ASP 39 -5.284 -1.890 2.700 311 HB2 ASP 39 HB2 ASP 39 -6.000 -2.636 4.891 312 HB3 ASP 39 HB3 ASP 39 -5.254 -1.223 5.639 313 H ILE 40 H ILE 40 -4.181 -0.652 1.429 314 HA ILE 40 HA ILE 40 -2.919 1.761 2.187 315 HB ILE 40 HB ILE 40 -3.487 0.682 -0.596 316 HG12 ILE 40 HG12 ILE 40 -1.017 0.495 1.078 317 HG13 ILE 40 HG13 ILE 40 -2.223 -0.768 1.086 318 HG21 ILE 40 HG21 ILE 40 -1.608 2.116 -1.252 319 HG22 ILE 40 HG22 ILE 40 -1.483 2.722 0.404 320 HG23 ILE 40 HG23 ILE 40 -2.922 3.067 -0.559 321 HD11 ILE 40 HD11 ILE 40 -1.890 -1.101 -1.291 322 HD12 ILE 40 HD12 ILE 40 -0.415 -1.351 -0.375 323 HD13 ILE 40 HD13 ILE 40 -0.642 0.146 -1.300 324 H ASN 41 H ASN 41 -6.029 0.955 0.728 325 HA ASN 41 HA ASN 41 -6.538 3.749 0.197 326 HB2 ASN 41 HB2 ASN 41 -8.619 3.103 -0.799 327 HB3 ASN 41 HB3 ASN 41 -7.469 1.860 -1.252 328 HD21 ASN 41 HD21 ASN 41 -10.310 1.752 -1.167 329 HD22 ASN 41 HD22 ASN 41 -10.731 0.470 -0.083 330 H GLY 42 H GLY 42 -6.666 1.808 2.878 331 HA2 GLY 42 HA2 GLY 42 -7.356 2.215 5.019 332 HA3 GLY 42 HA3 GLY 42 -7.767 3.847 4.517 333 H ASP 43 H ASP 43 -9.010 0.553 3.981 334 HA ASP 43 HA ASP 43 -11.659 1.618 4.670 335 HB2 ASP 43 HB2 ASP 43 -12.764 -0.141 3.262 336 HB3 ASP 43 HB3 ASP 43 -11.813 0.989 2.322 337 H GLY 44 H GLY 44 -9.223 -0.409 5.638 338 HA2 GLY 44 HA2 GLY 44 -9.260 -1.400 7.755 339 HA3 GLY 44 HA3 GLY 44 -11.003 -1.566 7.626 340 H ALA 45 H ALA 45 -9.936 -2.562 4.709 341 HA ALA 45 HA ALA 45 -9.482 -5.331 5.577 342 HB1 ALA 45 HB1 ALA 45 -11.302 -4.454 3.343 343 HB2 ALA 45 HB2 ALA 45 -11.844 -4.985 4.927 344 HB3 ALA 45 HB3 ALA 45 -10.998 -6.115 3.862 345 H VAL 46 H VAL 46 -8.223 -6.572 4.113 346 HA VAL 46 HA VAL 46 -6.602 -5.023 2.334 347 HB VAL 46 HB VAL 46 -6.402 -7.896 3.246 348 HG11 VAL 46 HG11 VAL 46 -5.380 -7.530 1.149 349 HG12 VAL 46 HG12 VAL 46 -4.113 -7.699 2.396 350 HG13 VAL 46 HG13 VAL 46 -4.559 -6.094 1.768 351 HG21 VAL 46 HG21 VAL 46 -4.896 -5.460 4.212 352 HG22 VAL 46 HG22 VAL 46 -4.559 -7.128 4.677 353 HG23 VAL 46 HG23 VAL 46 -6.090 -6.380 5.131 354 H ASN 47 H ASN 47 -7.433 -4.831 0.425 355 HA ASN 47 HA ASN 47 -8.604 -7.121 -0.897 356 HB2 ASN 47 HB2 ASN 47 -10.444 -5.498 -1.762 357 HB3 ASN 47 HB3 ASN 47 -10.607 -6.202 -0.162 358 HD21 ASN 47 HD21 ASN 47 -11.748 -4.704 0.794 359 HD22 ASN 47 HD22 ASN 47 -11.315 -3.058 1.060 360 H GLY 48 H GLY 48 -9.244 -6.321 -3.303 361 HA2 GLY 48 HA2 GLY 48 -6.710 -5.875 -4.472 362 HA3 GLY 48 HA3 GLY 48 -8.196 -6.000 -5.372 363 H ARG 49 H ARG 49 -9.182 -3.786 -3.502 364 HA ARG 49 HA ARG 49 -8.749 -1.502 -5.099 365 HB2 ARG 49 HB2 ARG 49 -9.390 -1.673 -2.157 366 HB3 ARG 49 HB3 ARG 49 -9.555 -0.228 -3.136 367 HG2 ARG 49 HG2 ARG 49 -11.022 -2.770 -3.719 368 HG3 ARG 49 HG3 ARG 49 -11.630 -1.503 -2.652 369 HD2 ARG 49 HD2 ARG 49 -10.801 -1.027 -5.514 370 HD3 ARG 49 HD3 ARG 49 -12.465 -1.390 -5.044 371 HE ARG 49 HE ARG 49 -11.744 0.728 -3.480 372 HH11 ARG 49 HH11 ARG 49 -11.843 0.223 -6.990 373 HH12 ARG 49 HH12 ARG 49 -12.216 1.845 -7.326 374 HH21 ARG 49 HH21 ARG 49 -12.259 2.935 -3.972 375 HH22 ARG 49 HH22 ARG 49 -12.458 3.415 -5.592 376 H ASP 50 H ASP 50 -7.161 -2.723 -2.213 377 HA ASP 50 HA ASP 50 -5.366 -0.565 -1.826 378 HB2 ASP 50 HB2 ASP 50 -5.046 -3.422 -0.962 379 HB3 ASP 50 HB3 ASP 50 -4.222 -2.003 -0.327 380 H LEU 51 H LEU 51 -5.255 -3.615 -3.466 381 HA LEU 51 HA LEU 51 -2.546 -3.675 -4.219 382 HB2 LEU 51 HB2 LEU 51 -3.827 -5.646 -4.547 383 HB3 LEU 51 HB3 LEU 51 -5.024 -4.801 -5.497 384 HG LEU 51 HG LEU 51 -3.403 -4.608 -7.353 385 HD11 LEU 51 HD11 LEU 51 -1.326 -5.834 -7.363 386 HD12 LEU 51 HD12 LEU 51 -1.632 -6.439 -5.752 387 HD13 LEU 51 HD13 LEU 51 -1.307 -4.712 -5.997 388 HD21 LEU 51 HD21 LEU 51 -3.443 -6.969 -7.983 389 HD22 LEU 51 HD22 LEU 51 -4.971 -6.419 -7.285 390 HD23 LEU 51 HD23 LEU 51 -3.820 -7.366 -6.300 391 H MET 52 H MET 52 -5.354 -2.344 -5.774 392 HA MET 52 HA MET 52 -4.013 -1.297 -8.033 393 HB2 MET 52 HB2 MET 52 -6.634 -0.487 -6.789 394 HB3 MET 52 HB3 MET 52 -6.069 0.053 -8.370 395 HG2 MET 52 HG2 MET 52 -6.023 -2.277 -9.135 396 HG3 MET 52 HG3 MET 52 -6.596 -2.798 -7.558 397 HE1 MET 52 HE1 MET 52 -7.723 0.329 -9.708 398 HE2 MET 52 HE2 MET 52 -9.015 -0.422 -10.665 399 HE3 MET 52 HE3 MET 52 -7.343 -0.987 -10.815 400 H GLU 53 H GLU 53 -4.754 0.078 -4.893 401 HA GLU 53 HA GLU 53 -3.751 2.680 -5.334 402 HB2 GLU 53 HB2 GLU 53 -3.902 1.016 -2.840 403 HB3 GLU 53 HB3 GLU 53 -3.425 2.701 -2.853 404 HG2 GLU 53 HG2 GLU 53 -6.071 1.609 -3.745 405 HG3 GLU 53 HG3 GLU 53 -5.761 2.411 -2.208 406 H LEU 54 H LEU 54 -2.262 -0.303 -4.245 407 HA LEU 54 HA LEU 54 0.264 0.690 -3.679 408 HB2 LEU 54 HB2 LEU 54 -0.661 -1.543 -3.076 409 HB3 LEU 54 HB3 LEU 54 -0.434 -2.029 -4.731 410 HG LEU 54 HG LEU 54 1.955 -1.851 -4.553 411 HD11 LEU 54 HD11 LEU 54 2.119 0.049 -3.048 412 HD12 LEU 54 HD12 LEU 54 3.016 -1.316 -2.384 413 HD13 LEU 54 HD13 LEU 54 1.423 -0.903 -1.743 414 HD21 LEU 54 HD21 LEU 54 0.911 -3.927 -3.863 415 HD22 LEU 54 HD22 LEU 54 0.739 -3.322 -2.222 416 HD23 LEU 54 HD23 LEU 54 2.345 -3.603 -2.895 417 H ILE 55 H ILE 55 -1.027 -0.788 -6.587 418 HA ILE 55 HA ILE 55 1.201 -0.559 -8.292 419 HB ILE 55 HB ILE 55 -1.735 -0.292 -9.030 420 HG12 ILE 55 HG12 ILE 55 0.047 -2.746 -9.154 421 HG13 ILE 55 HG13 ILE 55 -1.101 -2.411 -7.865 422 HG21 ILE 55 HG21 ILE 55 -1.052 -0.975 -11.312 423 HG22 ILE 55 HG22 ILE 55 0.639 -0.934 -10.806 424 HG23 ILE 55 HG23 ILE 55 -0.307 0.553 -10.837 425 HD11 ILE 55 HD11 ILE 55 -2.950 -2.558 -9.459 426 HD12 ILE 55 HD12 ILE 55 -1.994 -4.029 -9.449 427 HD13 ILE 55 HD13 ILE 55 -1.802 -2.865 -10.765 428 H LYS 56 H LYS 56 -1.325 1.767 -7.573 429 HA LYS 56 HA LYS 56 -0.615 3.956 -9.146 430 HB2 LYS 56 HB2 LYS 56 -2.644 3.974 -7.945 431 HB3 LYS 56 HB3 LYS 56 -1.832 3.651 -6.427 432 HG2 LYS 56 HG2 LYS 56 -0.852 5.917 -6.514 433 HG3 LYS 56 HG3 LYS 56 -1.833 6.257 -7.958 434 HD2 LYS 56 HD2 LYS 56 -2.846 5.497 -5.208 435 HD3 LYS 56 HD3 LYS 56 -2.871 7.123 -5.887 436 HE2 LYS 56 HE2 LYS 56 -4.366 6.304 -7.676 437 HE3 LYS 56 HE3 LYS 56 -4.356 4.712 -6.920 438 HZ1 LYS 56 HZ1 LYS 56 -5.368 5.648 -4.961 439 HZ2 LYS 56 HZ2 LYS 56 -6.304 5.977 -6.308 440 HZ3 LYS 56 HZ3 LYS 56 -5.352 7.196 -5.641 441 H LYS 57 H LYS 57 0.443 3.152 -5.859 442 HA LYS 57 HA LYS 57 2.148 5.366 -5.418 443 HB2 LYS 57 HB2 LYS 57 2.283 2.606 -4.206 444 HB3 LYS 57 HB3 LYS 57 3.054 4.038 -3.562 445 HG2 LYS 57 HG2 LYS 57 0.087 3.516 -3.754 446 HG3 LYS 57 HG3 LYS 57 1.084 3.482 -2.301 447 HD2 LYS 57 HD2 LYS 57 0.565 5.905 -4.026 448 HD3 LYS 57 HD3 LYS 57 -0.232 5.538 -2.502 449 HE2 LYS 57 HE2 LYS 57 1.921 5.571 -1.336 450 HE3 LYS 57 HE3 LYS 57 2.734 5.976 -2.839 451 HZ1 LYS 57 HZ1 LYS 57 0.730 7.665 -1.446 452 HZ2 LYS 57 HZ2 LYS 57 1.371 8.024 -2.950 453 HZ3 LYS 57 HZ3 LYS 57 2.369 7.991 -1.598 454 H VAL 58 H VAL 58 2.837 2.056 -6.290 455 HA VAL 58 HA VAL 58 5.623 2.312 -6.446 456 HB VAL 58 HB VAL 58 3.639 0.252 -7.337 457 HG11 VAL 58 HG11 VAL 58 6.635 -0.038 -7.164 458 HG12 VAL 58 HG12 VAL 58 5.723 0.027 -8.675 459 HG13 VAL 58 HG13 VAL 58 5.496 -1.328 -7.564 460 HG21 VAL 58 HG21 VAL 58 5.490 0.490 -4.986 461 HG22 VAL 58 HG22 VAL 58 4.475 -0.907 -5.315 462 HG23 VAL 58 HG23 VAL 58 3.740 0.664 -4.982 463 H SER 59 H SER 59 3.090 2.587 -8.865 464 HA SER 59 HA SER 59 4.829 2.509 -11.100 465 HB2 SER 59 HB2 SER 59 2.347 2.162 -11.251 466 HB3 SER 59 HB3 SER 59 2.114 3.867 -10.894 467 HG SER 59 HG SER 59 2.629 4.368 -12.878 468 H ASN 60 H ASN 60 3.761 5.012 -8.903 469 HA ASN 60 HA ASN 60 4.672 7.198 -10.481 470 HB2 ASN 60 HB2 ASN 60 2.743 7.188 -8.886 471 HB3 ASN 60 HB3 ASN 60 3.921 7.132 -7.581 472 HD21 ASN 60 HD21 ASN 60 2.476 8.990 -10.020 473 HD22 ASN 60 HD22 ASN 60 3.147 10.512 -9.563 474 H ASN 61 H ASN 61 5.757 5.576 -7.499 475 HA ASN 61 HA ASN 61 8.014 7.394 -7.346 476 HB2 ASN 61 HB2 ASN 61 6.655 6.891 -5.329 477 HB3 ASN 61 HB3 ASN 61 7.227 5.231 -5.407 478 HD21 ASN 61 HD21 ASN 61 9.299 4.757 -4.696 479 HD22 ASN 61 HD22 ASN 61 10.298 5.918 -3.914 480 H THR 62 H THR 62 7.886 3.793 -6.853 481 HA THR 62 HA THR 62 10.204 3.492 -8.562 482 HB THR 62 HB THR 62 10.268 2.829 -5.598 483 HG1 THR 62 HG1 THR 62 11.195 4.892 -7.127 484 HG21 THR 62 HG21 THR 62 12.349 2.299 -7.735 485 HG22 THR 62 HG22 THR 62 11.390 1.073 -6.910 486 HG23 THR 62 HG23 THR 62 12.573 2.024 -6.009 487 H SER 63 H SER 63 9.954 1.592 -9.638 488 HA SER 63 HA SER 63 8.106 -0.347 -8.513 489 HB2 SER 63 HB2 SER 63 9.187 -0.076 -11.327 490 HB3 SER 63 HB3 SER 63 7.942 -1.209 -10.789 491 HG SER 63 HG SER 63 7.265 1.270 -10.041 Start of MODEL 2 1 H1 GLY -3 H1 GLY -3 2.051 9.447 12.652 2 H2 GLY -3 H2 GLY -3 1.426 10.560 13.749 3 H3 GLY -3 H3 GLY -3 2.324 11.100 12.414 4 HA2 GLY -3 HA3 GLY -3 -0.076 11.423 12.115 5 HA3 GLY -3 HA2 GLY -3 0.591 10.315 10.918 6 H SER -2 H SER -2 -1.638 9.515 10.743 7 HA SER -2 HA SER -2 -2.944 8.282 12.924 8 HB2 SER -2 HB2 SER -2 -3.278 7.768 9.957 9 HB3 SER -2 HB3 SER -2 -4.462 7.438 11.222 10 HG SER -2 HG SER -2 -4.407 9.553 9.856 11 H ALA -1 H ALA -1 -0.862 7.129 10.320 12 HA ALA -1 HA ALA -1 -0.596 4.573 11.704 13 HB1 ALA -1 HB1 ALA -1 0.011 3.630 9.511 14 HB2 ALA -1 HB2 ALA -1 -0.230 5.212 8.771 15 HB3 ALA -1 HB3 ALA -1 -1.601 4.352 9.471 16 H SER 0 H SER 0 1.152 4.864 12.963 17 HA SER 0 HA SER 0 3.600 5.629 11.600 18 HB2 SER 0 HB2 SER 0 2.780 6.511 14.381 19 HB3 SER 0 HB3 SER 0 4.333 6.855 13.606 20 HG SER 0 HG SER 0 2.754 7.625 11.859 21 H ASN 1 H ASN 1 3.984 3.543 11.320 22 HA ASN 1 HA ASN 1 5.761 2.093 12.653 23 HB2 ASN 1 HB2 ASN 1 4.072 1.796 14.562 24 HB3 ASN 1 HB3 ASN 1 3.011 0.991 13.410 25 HD21 ASN 1 HD21 ASN 1 3.026 -0.931 14.432 26 HD22 ASN 1 HD22 ASN 1 4.408 -1.964 14.567 27 H THR 2 H THR 2 2.610 1.921 11.375 28 HA THR 2 HA THR 2 3.270 0.021 9.312 29 HB THR 2 HB THR 2 0.778 1.331 10.345 30 HG1 THR 2 HG1 THR 2 1.583 -1.381 10.228 31 HG21 THR 2 HG21 THR 2 0.973 -0.632 8.056 32 HG22 THR 2 HG22 THR 2 0.585 1.079 7.903 33 HG23 THR 2 HG23 THR 2 -0.525 0.001 8.748 34 H ILE 3 H ILE 3 3.717 0.757 7.333 35 HA ILE 3 HA ILE 3 3.084 3.515 6.666 36 HB ILE 3 HB ILE 3 5.404 3.415 6.866 37 HG12 ILE 3 HG12 ILE 3 4.853 2.979 3.910 38 HG13 ILE 3 HG13 ILE 3 4.752 4.504 4.771 39 HG21 ILE 3 HG21 ILE 3 5.364 0.738 5.529 40 HG22 ILE 3 HG22 ILE 3 5.856 1.143 7.167 41 HG23 ILE 3 HG23 ILE 3 6.846 1.655 5.798 42 HD11 ILE 3 HD11 ILE 3 6.795 4.350 3.451 43 HD12 ILE 3 HD12 ILE 3 7.271 2.903 4.336 44 HD13 ILE 3 HD13 ILE 3 7.158 4.449 5.172 45 H LEU 4 H LEU 4 1.358 3.475 5.395 46 HA LEU 4 HA LEU 4 0.428 1.228 4.037 47 HB2 LEU 4 HB2 LEU 4 -0.305 4.102 3.526 48 HB3 LEU 4 HB3 LEU 4 -1.229 2.676 3.108 49 HG LEU 4 HG LEU 4 -0.713 3.738 5.875 50 HD11 LEU 4 HD11 LEU 4 -3.111 4.058 5.945 51 HD12 LEU 4 HD12 LEU 4 -3.236 3.506 4.276 52 HD13 LEU 4 HD13 LEU 4 -2.361 4.990 4.649 53 HD21 LEU 4 HD21 LEU 4 -2.198 1.239 5.041 54 HD22 LEU 4 HD22 LEU 4 -2.164 1.924 6.665 55 HD23 LEU 4 HD23 LEU 4 -0.673 1.329 5.931 56 H GLY 5 H GLY 5 1.241 0.329 2.341 57 HA2 GLY 5 HA2 GLY 5 1.571 0.503 -0.052 58 HA3 GLY 5 HA3 GLY 5 2.378 2.043 0.254 59 H ASP 6 H ASP 6 3.524 0.612 2.742 60 HA ASP 6 HA ASP 6 5.572 -0.834 1.278 61 HB2 ASP 6 HB2 ASP 6 6.480 1.281 1.954 62 HB3 ASP 6 HB3 ASP 6 5.923 1.063 3.598 63 H LEU 7 H LEU 7 4.833 -2.660 1.538 64 HA LEU 7 HA LEU 7 3.590 -3.712 3.898 65 HB2 LEU 7 HB2 LEU 7 4.195 -4.829 1.183 66 HB3 LEU 7 HB3 LEU 7 3.497 -5.797 2.451 67 HG LEU 7 HG LEU 7 1.471 -4.360 2.424 68 HD11 LEU 7 HD11 LEU 7 1.092 -2.757 0.681 69 HD12 LEU 7 HD12 LEU 7 2.713 -3.012 0.052 70 HD13 LEU 7 HD13 LEU 7 2.493 -2.254 1.632 71 HD21 LEU 7 HD21 LEU 7 0.668 -5.049 0.259 72 HD22 LEU 7 HD22 LEU 7 1.567 -6.335 1.076 73 HD23 LEU 7 HD23 LEU 7 2.314 -5.422 -0.233 74 H ASN 8 H ASN 8 6.610 -4.095 2.170 75 HA ASN 8 HA ASN 8 7.435 -6.262 3.937 76 HB2 ASN 8 HB2 ASN 8 9.386 -6.535 2.523 77 HB3 ASN 8 HB3 ASN 8 7.982 -6.403 1.485 78 HD21 ASN 8 HD21 ASN 8 10.593 -6.009 0.693 79 HD22 ASN 8 HD22 ASN 8 10.834 -4.338 0.270 80 H ASP 9 H ASP 9 7.366 -3.043 4.055 81 HA ASP 9 HA ASP 9 8.193 -1.463 5.360 82 HB2 ASP 9 HB2 ASP 9 7.393 -3.008 7.133 83 HB3 ASP 9 HB3 ASP 9 8.984 -3.759 7.152 84 H ASP 10 H ASP 10 9.636 -1.351 3.516 85 HA ASP 10 HA ASP 10 12.405 -1.509 4.457 86 HB2 ASP 10 HB2 ASP 10 13.224 -1.768 2.124 87 HB3 ASP 10 HB3 ASP 10 12.119 -3.047 2.602 88 H GLY 11 H GLY 11 9.952 0.524 3.797 89 HA2 GLY 11 HA2 GLY 11 10.175 2.779 4.431 90 HA3 GLY 11 HA3 GLY 11 11.835 2.753 3.861 91 H VAL 12 H VAL 12 9.893 1.292 1.594 92 HA VAL 12 HA VAL 12 9.083 3.756 0.352 93 HB VAL 12 HB VAL 12 11.487 3.701 -0.040 94 HG11 VAL 12 HG11 VAL 12 11.901 1.415 0.061 95 HG12 VAL 12 HG12 VAL 12 12.560 2.034 -1.462 96 HG13 VAL 12 HG13 VAL 12 11.060 1.088 -1.451 97 HG21 VAL 12 HG21 VAL 12 9.897 3.273 -2.567 98 HG22 VAL 12 HG22 VAL 12 11.493 4.022 -2.485 99 HG23 VAL 12 HG23 VAL 12 10.113 4.799 -1.712 100 H VAL 13 H VAL 13 7.713 3.467 -1.446 101 HA VAL 13 HA VAL 13 6.425 0.946 -1.618 102 HB VAL 13 HB VAL 13 4.967 2.170 -3.309 103 HG11 VAL 13 HG11 VAL 13 3.881 3.601 -1.602 104 HG12 VAL 13 HG12 VAL 13 5.311 3.437 -0.588 105 HG13 VAL 13 HG13 VAL 13 4.331 2.024 -0.961 106 HG21 VAL 13 HG21 VAL 13 6.569 4.596 -2.437 107 HG22 VAL 13 HG22 VAL 13 5.140 4.608 -3.465 108 HG23 VAL 13 HG23 VAL 13 6.625 3.855 -4.033 109 H ASN 14 H ASN 14 7.536 -0.566 -2.618 110 HA ASN 14 HA ASN 14 8.557 0.024 -5.272 111 HB2 ASN 14 HB2 ASN 14 10.548 -1.382 -4.875 112 HB3 ASN 14 HB3 ASN 14 10.561 0.060 -3.905 113 HD21 ASN 14 HD21 ASN 14 12.192 -1.967 -3.399 114 HD22 ASN 14 HD22 ASN 14 11.731 -2.647 -1.874 115 H GLY 15 H GLY 15 9.316 -2.195 -6.311 116 HA2 GLY 15 HA2 GLY 15 6.876 -3.503 -6.871 117 HA3 GLY 15 HA3 GLY 15 8.394 -4.065 -7.441 118 H ARG 16 H ARG 16 9.239 -4.157 -4.522 119 HA ARG 16 HA ARG 16 8.853 -6.900 -3.985 120 HB2 ARG 16 HB2 ARG 16 9.534 -4.657 -2.132 121 HB3 ARG 16 HB3 ARG 16 9.701 -6.358 -1.742 122 HG2 ARG 16 HG2 ARG 16 11.125 -4.964 -3.964 123 HG3 ARG 16 HG3 ARG 16 11.818 -5.235 -2.366 124 HD2 ARG 16 HD2 ARG 16 11.447 -7.684 -2.725 125 HD3 ARG 16 HD3 ARG 16 10.950 -7.309 -4.374 126 HE ARG 16 HE ARG 16 13.342 -6.111 -4.146 127 HH11 ARG 16 HH11 ARG 16 12.225 -9.434 -3.677 128 HH12 ARG 16 HH12 ARG 16 13.737 -10.143 -3.969 129 HH21 ARG 16 HH21 ARG 16 15.433 -7.090 -4.569 130 HH22 ARG 16 HH22 ARG 16 15.581 -8.782 -4.535 131 H ASP 17 H ASP 17 7.090 -4.013 -3.076 132 HA ASP 17 HA ASP 17 5.595 -5.179 -0.974 133 HB2 ASP 17 HB2 ASP 17 5.050 -2.739 -2.649 134 HB3 ASP 17 HB3 ASP 17 4.181 -3.180 -1.192 135 H ILE 18 H ILE 18 5.068 -4.607 -4.387 136 HA ILE 18 HA ILE 18 2.499 -5.489 -4.748 137 HB ILE 18 HB ILE 18 4.953 -5.709 -6.518 138 HG12 ILE 18 HG12 ILE 18 3.847 -4.056 -7.903 139 HG13 ILE 18 HG13 ILE 18 2.426 -4.099 -6.825 140 HG21 ILE 18 HG21 ILE 18 3.571 -6.400 -8.416 141 HG22 ILE 18 HG22 ILE 18 2.177 -6.535 -7.346 142 HG23 ILE 18 HG23 ILE 18 3.559 -7.609 -7.125 143 HD11 ILE 18 HD11 ILE 18 3.726 -2.133 -6.528 144 HD12 ILE 18 HD12 ILE 18 5.172 -3.095 -6.185 145 HD13 ILE 18 HD13 ILE 18 3.802 -3.142 -5.085 146 H VAL 19 H VAL 19 5.419 -7.348 -4.525 147 HA VAL 19 HA VAL 19 4.445 -9.949 -5.001 148 HB VAL 19 HB VAL 19 6.664 -9.224 -3.084 149 HG11 VAL 19 HG11 VAL 19 6.264 -11.686 -4.773 150 HG12 VAL 19 HG12 VAL 19 6.028 -11.573 -3.032 151 HG13 VAL 19 HG13 VAL 19 7.643 -11.372 -3.719 152 HG21 VAL 19 HG21 VAL 19 6.787 -9.469 -6.081 153 HG22 VAL 19 HG22 VAL 19 8.199 -9.352 -5.008 154 HG23 VAL 19 HG23 VAL 19 7.054 -8.019 -5.102 155 H MET 20 H MET 20 4.974 -8.215 -1.987 156 HA MET 20 HA MET 20 4.085 -10.199 -0.170 157 HB2 MET 20 HB2 MET 20 3.888 -7.220 0.294 158 HB3 MET 20 HB3 MET 20 4.053 -8.552 1.445 159 HG2 MET 20 HG2 MET 20 6.168 -7.932 -0.563 160 HG3 MET 20 HG3 MET 20 6.116 -7.098 0.969 161 HE1 MET 20 HE1 MET 20 5.362 -9.093 3.145 162 HE2 MET 20 HE2 MET 20 6.826 -8.122 3.243 163 HE3 MET 20 HE3 MET 20 6.899 -9.853 3.559 164 H MET 21 H MET 21 2.484 -7.528 -1.740 165 HA MET 21 HA MET 21 -0.055 -7.415 -0.638 166 HB2 MET 21 HB2 MET 21 0.982 -5.906 -2.350 167 HB3 MET 21 HB3 MET 21 0.761 -7.191 -3.517 168 HG2 MET 21 HG2 MET 21 -0.902 -5.722 -4.012 169 HG3 MET 21 HG3 MET 21 -1.797 -6.877 -3.048 170 HE1 MET 21 HE1 MET 21 -1.145 -5.911 -0.003 171 HE2 MET 21 HE2 MET 21 -2.791 -6.189 -0.586 172 HE3 MET 21 HE3 MET 21 -2.358 -4.658 0.191 173 H ARG 22 H ARG 22 1.045 -9.158 -3.468 174 HA ARG 22 HA ARG 22 -1.331 -10.533 -4.011 175 HB2 ARG 22 HB2 ARG 22 1.491 -10.772 -4.916 176 HB3 ARG 22 HB3 ARG 22 0.268 -11.936 -5.459 177 HG2 ARG 22 HG2 ARG 22 -0.968 -10.216 -6.509 178 HG3 ARG 22 HG3 ARG 22 0.014 -8.956 -5.760 179 HD2 ARG 22 HD2 ARG 22 1.895 -9.542 -7.026 180 HD3 ARG 22 HD3 ARG 22 1.185 -11.037 -7.607 181 HE ARG 22 HE ARG 22 -0.473 -9.076 -8.514 182 HH11 ARG 22 HH11 ARG 22 3.000 -9.697 -8.807 183 HH12 ARG 22 HH12 ARG 22 3.164 -8.977 -10.333 184 HH21 ARG 22 HH21 ARG 22 -0.255 -8.065 -10.656 185 HH22 ARG 22 HH22 ARG 22 1.257 -8.019 -11.415 186 H GLN 23 H GLN 23 1.485 -11.421 -2.094 187 HA GLN 23 HA GLN 23 1.001 -14.150 -1.745 188 HB2 GLN 23 HB2 GLN 23 2.035 -12.188 0.279 189 HB3 GLN 23 HB3 GLN 23 2.191 -13.951 0.344 190 HG2 GLN 23 HG2 GLN 23 3.404 -12.186 -1.758 191 HG3 GLN 23 HG3 GLN 23 4.236 -12.804 -0.360 192 HE21 GLN 23 HE21 GLN 23 4.497 -13.414 -3.336 193 HE22 GLN 23 HE22 GLN 23 4.456 -15.148 -3.339 194 H TYR 24 H TYR 24 0.082 -11.439 0.334 195 HA TYR 24 HA TYR 24 -1.411 -12.999 2.142 196 HB2 TYR 24 HB2 TYR 24 -0.350 -10.790 2.523 197 HB3 TYR 24 HB3 TYR 24 -1.624 -10.050 1.610 198 HD1 TYR 24 HD1 TYR 24 -0.792 -11.649 4.765 199 HD2 TYR 24 HD2 TYR 24 -3.914 -9.983 2.433 200 HE1 TYR 24 HE1 TYR 24 -2.211 -11.540 6.746 201 HE2 TYR 24 HE2 TYR 24 -5.338 -9.863 4.354 202 HH TYR 24 HH TYR 24 -5.559 -10.915 6.587 203 H LEU 25 H LEU 25 -2.287 -10.973 -0.506 204 HA LEU 25 HA LEU 25 -5.100 -11.240 -0.487 205 HB2 LEU 25 HB2 LEU 25 -3.287 -10.919 -2.872 206 HB3 LEU 25 HB3 LEU 25 -5.031 -10.897 -2.989 207 HG LEU 25 HG LEU 25 -3.390 -8.942 -1.390 208 HD11 LEU 25 HD11 LEU 25 -4.754 -8.631 -4.064 209 HD12 LEU 25 HD12 LEU 25 -3.011 -8.682 -3.790 210 HD13 LEU 25 HD13 LEU 25 -3.969 -7.339 -3.159 211 HD21 LEU 25 HD21 LEU 25 -5.466 -7.641 -1.315 212 HD22 LEU 25 HD22 LEU 25 -5.651 -9.198 -0.507 213 HD23 LEU 25 HD23 LEU 25 -6.311 -8.949 -2.130 214 H ALA 26 H ALA 26 -2.712 -13.426 -1.733 215 HA ALA 26 HA ALA 26 -4.649 -15.265 -2.844 216 HB1 ALA 26 HB1 ALA 26 -2.742 -16.709 -3.300 217 HB2 ALA 26 HB2 ALA 26 -1.727 -15.696 -2.275 218 HB3 ALA 26 HB3 ALA 26 -2.375 -15.048 -3.785 219 H GLY 27 H GLY 27 -3.849 -14.532 0.248 220 HA2 GLY 27 HA2 GLY 27 -4.695 -15.495 2.141 221 HA3 GLY 27 HA3 GLY 27 -5.002 -16.959 1.212 222 H LYS 28 H LYS 28 -1.848 -15.625 0.945 223 HA LYS 28 HA LYS 28 -0.802 -17.944 2.322 224 HB2 LYS 28 HB2 LYS 28 0.746 -15.806 0.809 225 HB3 LYS 28 HB3 LYS 28 1.330 -17.344 1.357 226 HG2 LYS 28 HG2 LYS 28 -0.206 -18.497 -0.134 227 HG3 LYS 28 HG3 LYS 28 -0.836 -16.934 -0.654 228 HD2 LYS 28 HD2 LYS 28 1.347 -16.293 -1.463 229 HD3 LYS 28 HD3 LYS 28 2.011 -17.823 -0.921 230 HE2 LYS 28 HE2 LYS 28 -0.163 -17.530 -2.993 231 HE3 LYS 28 HE3 LYS 28 1.537 -17.833 -3.341 232 HZ1 LYS 28 HZ1 LYS 28 0.308 -19.883 -3.378 233 HZ2 LYS 28 HZ2 LYS 28 -0.291 -19.609 -1.831 234 HZ3 LYS 28 HZ3 LYS 28 1.348 -19.897 -2.053 235 H THR 29 H THR 29 0.835 -17.771 3.848 236 HA THR 29 HA THR 29 0.477 -15.544 5.700 237 HB THR 29 HB THR 29 2.166 -18.043 6.031 238 HG1 THR 29 HG1 THR 29 -0.554 -17.665 6.048 239 HG21 THR 29 HG21 THR 29 2.590 -16.214 7.644 240 HG22 THR 29 HG22 THR 29 1.846 -17.605 8.433 241 HG23 THR 29 HG23 THR 29 0.874 -16.186 8.052 242 H VAL 30 H VAL 30 1.864 -13.842 5.401 243 HA VAL 30 HA VAL 30 4.356 -14.406 3.990 244 HB VAL 30 HB VAL 30 3.421 -11.655 4.554 245 HG11 VAL 30 HG11 VAL 30 4.675 -12.954 2.150 246 HG12 VAL 30 HG12 VAL 30 5.515 -12.001 3.378 247 HG13 VAL 30 HG13 VAL 30 4.348 -11.230 2.297 248 HG21 VAL 30 HG21 VAL 30 1.340 -12.648 3.833 249 HG22 VAL 30 HG22 VAL 30 2.135 -13.365 2.434 250 HG23 VAL 30 HG23 VAL 30 1.967 -11.611 2.546 251 H SER 31 H SER 31 6.081 -14.559 5.248 252 HA SER 31 HA SER 31 5.944 -13.753 7.973 253 HB2 SER 31 HB2 SER 31 8.310 -14.681 8.014 254 HB3 SER 31 HB3 SER 31 7.025 -15.807 7.569 255 HG SER 31 HG SER 31 8.240 -14.408 5.498 256 H GLY 32 H GLY 32 6.336 -11.828 8.702 257 HA2 GLY 32 HA2 GLY 32 7.662 -9.971 9.162 258 HA3 GLY 32 HA3 GLY 32 8.677 -10.380 7.786 259 H ILE 33 H ILE 33 5.183 -10.090 7.649 260 HA ILE 33 HA ILE 33 5.548 -7.799 5.870 261 HB ILE 33 HB ILE 33 4.306 -9.876 5.022 262 HG12 ILE 33 HG12 ILE 33 2.609 -7.380 5.125 263 HG13 ILE 33 HG13 ILE 33 3.987 -7.562 4.070 264 HG21 ILE 33 HG21 ILE 33 3.127 -10.507 7.045 265 HG22 ILE 33 HG22 ILE 33 1.975 -10.216 5.737 266 HG23 ILE 33 HG23 ILE 33 2.200 -9.007 6.998 267 HD11 ILE 33 HD11 ILE 33 1.441 -9.210 4.003 268 HD12 ILE 33 HD12 ILE 33 2.860 -9.553 3.043 269 HD13 ILE 33 HD13 ILE 33 1.978 -8.055 2.780 270 H ASP 34 H ASP 34 4.410 -5.862 6.315 271 HA ASP 34 HA ASP 34 3.254 -5.763 9.010 272 HB2 ASP 34 HB2 ASP 34 4.645 -3.734 8.020 273 HB3 ASP 34 HB3 ASP 34 3.225 -3.475 7.048 274 H LYS 35 H LYS 35 1.422 -6.819 8.908 275 HA LYS 35 HA LYS 35 -0.229 -7.286 6.765 276 HB2 LYS 35 HB2 LYS 35 -0.267 -8.407 9.017 277 HB3 LYS 35 HB3 LYS 35 -1.216 -7.049 9.598 278 HG2 LYS 35 HG2 LYS 35 -2.590 -7.783 7.349 279 HG3 LYS 35 HG3 LYS 35 -2.011 -9.331 7.945 280 HD2 LYS 35 HD2 LYS 35 -4.166 -8.947 8.897 281 HD3 LYS 35 HD3 LYS 35 -2.982 -8.719 10.185 282 HE2 LYS 35 HE2 LYS 35 -3.133 -6.308 9.953 283 HE3 LYS 35 HE3 LYS 35 -4.177 -6.482 8.550 284 HZ1 LYS 35 HZ1 LYS 35 -5.827 -7.523 9.990 285 HZ2 LYS 35 HZ2 LYS 35 -5.476 -5.959 10.484 286 HZ3 LYS 35 HZ3 LYS 35 -4.845 -7.269 11.334 287 H ASN 36 H ASN 36 -0.123 -4.390 8.752 288 HA ASN 36 HA ASN 36 -2.804 -3.593 8.090 289 HB2 ASN 36 HB2 ASN 36 -0.683 -2.032 9.560 290 HB3 ASN 36 HB3 ASN 36 -2.423 -1.790 9.586 291 HD21 ASN 36 HD21 ASN 36 0.248 -3.527 10.835 292 HD22 ASN 36 HD22 ASN 36 -0.623 -4.389 12.066 293 H ALA 37 H ALA 37 0.393 -3.298 6.842 294 HA ALA 37 HA ALA 37 0.089 -0.653 5.748 295 HB1 ALA 37 HB1 ALA 37 2.296 -1.485 6.409 296 HB2 ALA 37 HB2 ALA 37 2.250 -1.060 4.700 297 HB3 ALA 37 HB3 ALA 37 2.170 -2.753 5.189 298 H LEU 38 H LEU 38 -1.005 -3.631 4.975 299 HA LEU 38 HA LEU 38 -0.914 -3.494 2.129 300 HB2 LEU 38 HB2 LEU 38 -2.468 -5.257 4.007 301 HB3 LEU 38 HB3 LEU 38 -2.636 -5.318 2.278 302 HG LEU 38 HG LEU 38 -0.238 -5.921 2.093 303 HD11 LEU 38 HD11 LEU 38 0.895 -6.772 3.997 304 HD12 LEU 38 HD12 LEU 38 -0.435 -6.222 5.031 305 HD13 LEU 38 HD13 LEU 38 0.552 -5.049 4.162 306 HD21 LEU 38 HD21 LEU 38 -1.992 -7.692 3.715 307 HD22 LEU 38 HD22 LEU 38 -0.526 -8.190 2.878 308 HD23 LEU 38 HD23 LEU 38 -1.910 -7.593 1.953 309 H ASP 39 H ASP 39 -3.000 -2.326 4.622 310 HA ASP 39 HA ASP 39 -5.124 -1.933 2.709 311 HB2 ASP 39 HB2 ASP 39 -5.775 -2.677 4.903 312 HB3 ASP 39 HB3 ASP 39 -4.989 -1.274 5.644 313 H ILE 40 H ILE 40 -3.972 -0.735 1.434 314 HA ILE 40 HA ILE 40 -2.732 1.714 2.147 315 HB ILE 40 HB ILE 40 -3.306 0.593 -0.607 316 HG12 ILE 40 HG12 ILE 40 -0.860 0.382 1.099 317 HG13 ILE 40 HG13 ILE 40 -2.075 -0.871 1.055 318 HG21 ILE 40 HG21 ILE 40 -1.246 2.595 0.399 319 HG22 ILE 40 HG22 ILE 40 -2.693 2.992 -0.530 320 HG23 ILE 40 HG23 ILE 40 -1.412 2.024 -1.271 321 HD11 ILE 40 HD11 ILE 40 -1.684 -1.184 -1.316 322 HD12 ILE 40 HD12 ILE 40 -0.225 -1.448 -0.371 323 HD13 ILE 40 HD13 ILE 40 -0.429 0.057 -1.283 324 H ASN 41 H ASN 41 -5.823 0.834 0.727 325 HA ASN 41 HA ASN 41 -6.390 3.614 0.124 326 HB2 ASN 41 HB2 ASN 41 -8.451 2.925 -0.840 327 HB3 ASN 41 HB3 ASN 41 -7.298 1.674 -1.274 328 HD21 ASN 41 HD21 ASN 41 -10.122 1.526 -1.215 329 HD22 ASN 41 HD22 ASN 41 -10.552 0.298 -0.071 330 H GLY 42 H GLY 42 -6.449 1.762 2.836 331 HA2 GLY 42 HA2 GLY 42 -7.126 2.212 4.975 332 HA3 GLY 42 HA3 GLY 42 -7.571 3.820 4.419 333 H ASP 43 H ASP 43 -8.765 0.498 4.003 334 HA ASP 43 HA ASP 43 -11.394 1.536 4.794 335 HB2 ASP 43 HB2 ASP 43 -12.546 -0.254 3.454 336 HB3 ASP 43 HB3 ASP 43 -11.659 0.884 2.466 337 H GLY 44 H GLY 44 -8.936 -0.634 5.549 338 HA2 GLY 44 HA2 GLY 44 -8.863 -1.619 7.707 339 HA3 GLY 44 HA3 GLY 44 -10.615 -1.726 7.681 340 H ALA 45 H ALA 45 -9.713 -2.742 4.710 341 HA ALA 45 HA ALA 45 -9.212 -5.502 5.561 342 HB1 ALA 45 HB1 ALA 45 -10.799 -6.307 3.906 343 HB2 ALA 45 HB2 ALA 45 -11.203 -4.648 3.463 344 HB3 ALA 45 HB3 ALA 45 -11.606 -5.256 5.072 345 H VAL 46 H VAL 46 -8.114 -6.788 3.937 346 HA VAL 46 HA VAL 46 -6.485 -5.137 2.254 347 HB VAL 46 HB VAL 46 -6.251 -8.055 3.005 348 HG11 VAL 46 HG11 VAL 46 -3.969 -7.785 2.167 349 HG12 VAL 46 HG12 VAL 46 -4.416 -6.115 1.716 350 HG13 VAL 46 HG13 VAL 46 -5.219 -7.487 0.936 351 HG21 VAL 46 HG21 VAL 46 -4.460 -7.334 4.526 352 HG22 VAL 46 HG22 VAL 46 -6.008 -6.613 4.971 353 HG23 VAL 46 HG23 VAL 46 -4.798 -5.650 4.124 354 H ASN 47 H ASN 47 -7.273 -4.846 0.313 355 HA ASN 47 HA ASN 47 -8.466 -7.070 -1.069 356 HB2 ASN 47 HB2 ASN 47 -10.336 -5.455 -1.848 357 HB3 ASN 47 HB3 ASN 47 -10.453 -6.203 -0.266 358 HD21 ASN 47 HD21 ASN 47 -11.619 -4.743 0.752 359 HD22 ASN 47 HD22 ASN 47 -11.168 -3.101 1.058 360 H GLY 48 H GLY 48 -9.162 -6.249 -3.424 361 HA2 GLY 48 HA2 GLY 48 -6.675 -5.817 -4.683 362 HA3 GLY 48 HA3 GLY 48 -8.204 -5.883 -5.522 363 H ARG 49 H ARG 49 -9.129 -3.699 -3.649 364 HA ARG 49 HA ARG 49 -8.607 -1.381 -5.149 365 HB2 ARG 49 HB2 ARG 49 -9.366 -1.685 -2.252 366 HB3 ARG 49 HB3 ARG 49 -9.408 -0.166 -3.126 367 HG2 ARG 49 HG2 ARG 49 -10.964 -2.587 -3.921 368 HG3 ARG 49 HG3 ARG 49 -11.552 -1.325 -2.838 369 HD2 ARG 49 HD2 ARG 49 -11.274 0.334 -4.623 370 HD3 ARG 49 HD3 ARG 49 -10.593 -0.897 -5.684 371 HE ARG 49 HE ARG 49 -12.929 -1.974 -5.197 372 HH11 ARG 49 HH11 ARG 49 -12.236 1.420 -5.953 373 HH12 ARG 49 HH12 ARG 49 -13.722 1.699 -6.714 374 HH21 ARG 49 HH21 ARG 49 -14.947 -1.596 -6.284 375 HH22 ARG 49 HH22 ARG 49 -15.302 -0.049 -6.906 376 H ASP 50 H ASP 50 -7.094 -2.711 -2.276 377 HA ASP 50 HA ASP 50 -5.260 -0.599 -1.812 378 HB2 ASP 50 HB2 ASP 50 -4.972 -3.497 -1.017 379 HB3 ASP 50 HB3 ASP 50 -4.109 -2.098 -0.384 380 H LEU 51 H LEU 51 -5.133 -3.654 -3.469 381 HA LEU 51 HA LEU 51 -2.469 -3.655 -4.304 382 HB2 LEU 51 HB2 LEU 51 -3.802 -5.629 -4.601 383 HB3 LEU 51 HB3 LEU 51 -4.957 -4.766 -5.581 384 HG LEU 51 HG LEU 51 -3.361 -4.668 -7.434 385 HD11 LEU 51 HD11 LEU 51 -1.537 -6.374 -5.748 386 HD12 LEU 51 HD12 LEU 51 -1.264 -4.657 -6.055 387 HD13 LEU 51 HD13 LEU 51 -1.239 -5.813 -7.391 388 HD21 LEU 51 HD21 LEU 51 -4.877 -6.554 -7.244 389 HD22 LEU 51 HD22 LEU 51 -3.675 -7.393 -6.252 390 HD23 LEU 51 HD23 LEU 51 -3.331 -7.056 -7.949 391 H MET 52 H MET 52 -5.335 -2.293 -5.834 392 HA MET 52 HA MET 52 -4.117 -1.146 -8.095 393 HB2 MET 52 HB2 MET 52 -6.569 -0.292 -6.564 394 HB3 MET 52 HB3 MET 52 -6.090 0.423 -8.095 395 HG2 MET 52 HG2 MET 52 -6.372 -1.701 -9.203 396 HG3 MET 52 HG3 MET 52 -6.733 -2.484 -7.668 397 HE1 MET 52 HE1 MET 52 -10.197 -2.560 -9.486 398 HE2 MET 52 HE2 MET 52 -8.959 -3.512 -8.662 399 HE3 MET 52 HE3 MET 52 -8.603 -2.758 -10.217 400 H GLU 53 H GLU 53 -4.644 0.119 -4.841 401 HA GLU 53 HA GLU 53 -3.595 2.697 -5.246 402 HB2 GLU 53 HB2 GLU 53 -3.765 0.978 -2.796 403 HB3 GLU 53 HB3 GLU 53 -3.148 2.613 -2.764 404 HG2 GLU 53 HG2 GLU 53 -5.933 1.811 -3.589 405 HG3 GLU 53 HG3 GLU 53 -5.467 2.468 -2.020 406 H LEU 54 H LEU 54 -2.109 -0.333 -4.236 407 HA LEU 54 HA LEU 54 0.443 0.639 -3.693 408 HB2 LEU 54 HB2 LEU 54 -0.475 -1.597 -3.110 409 HB3 LEU 54 HB3 LEU 54 -0.279 -2.057 -4.776 410 HG LEU 54 HG LEU 54 2.114 -1.903 -4.636 411 HD11 LEU 54 HD11 LEU 54 3.222 -1.378 -2.499 412 HD12 LEU 54 HD12 LEU 54 1.649 -0.968 -1.808 413 HD13 LEU 54 HD13 LEU 54 2.309 -0.008 -3.123 414 HD21 LEU 54 HD21 LEU 54 2.523 -3.661 -3.006 415 HD22 LEU 54 HD22 LEU 54 1.050 -3.961 -3.932 416 HD23 LEU 54 HD23 LEU 54 0.943 -3.360 -2.282 417 H ILE 55 H ILE 55 -0.861 -0.791 -6.603 418 HA ILE 55 HA ILE 55 1.374 -0.432 -8.354 419 HB ILE 55 HB ILE 55 -1.606 -0.409 -8.997 420 HG12 ILE 55 HG12 ILE 55 0.348 -2.735 -9.132 421 HG13 ILE 55 HG13 ILE 55 -0.756 -2.440 -7.801 422 HG21 ILE 55 HG21 ILE 55 0.751 -0.919 -10.828 423 HG22 ILE 55 HG22 ILE 55 -0.264 0.522 -10.841 424 HG23 ILE 55 HG23 ILE 55 -0.949 -1.043 -11.284 425 HD11 ILE 55 HD11 ILE 55 -1.553 -3.023 -10.647 426 HD12 ILE 55 HD12 ILE 55 -2.658 -2.751 -9.294 427 HD13 ILE 55 HD13 ILE 55 -1.604 -4.155 -9.294 428 H LYS 56 H LYS 56 -1.279 1.696 -7.540 429 HA LYS 56 HA LYS 56 -0.646 3.918 -9.105 430 HB2 LYS 56 HB2 LYS 56 -2.716 3.896 -8.073 431 HB3 LYS 56 HB3 LYS 56 -2.041 3.389 -6.546 432 HG2 LYS 56 HG2 LYS 56 -1.226 5.669 -6.154 433 HG3 LYS 56 HG3 LYS 56 -1.969 6.184 -7.691 434 HD2 LYS 56 HD2 LYS 56 -4.151 5.504 -6.895 435 HD3 LYS 56 HD3 LYS 56 -3.448 4.848 -5.426 436 HE2 LYS 56 HE2 LYS 56 -2.718 7.124 -4.821 437 HE3 LYS 56 HE3 LYS 56 -3.565 7.734 -6.248 438 HZ1 LYS 56 HZ1 LYS 56 -4.859 7.883 -4.184 439 HZ2 LYS 56 HZ2 LYS 56 -4.827 6.194 -4.065 440 HZ3 LYS 56 HZ3 LYS 56 -5.640 6.925 -5.340 441 H LYS 57 H LYS 57 0.519 3.028 -5.879 442 HA LYS 57 HA LYS 57 2.136 5.347 -5.409 443 HB2 LYS 57 HB2 LYS 57 2.508 2.584 -4.253 444 HB3 LYS 57 HB3 LYS 57 3.136 4.088 -3.608 445 HG2 LYS 57 HG2 LYS 57 0.233 3.296 -3.738 446 HG3 LYS 57 HG3 LYS 57 1.266 3.230 -2.321 447 HD2 LYS 57 HD2 LYS 57 0.473 5.730 -3.824 448 HD3 LYS 57 HD3 LYS 57 -0.217 5.181 -2.309 449 HE2 LYS 57 HE2 LYS 57 2.132 5.233 -1.332 450 HE3 LYS 57 HE3 LYS 57 2.606 6.127 -2.774 451 HZ1 LYS 57 HZ1 LYS 57 0.988 7.841 -2.194 452 HZ2 LYS 57 HZ2 LYS 57 2.061 7.584 -0.908 453 HZ3 LYS 57 HZ3 LYS 57 0.517 6.937 -0.855 454 H VAL 58 H VAL 58 2.948 2.074 -6.488 455 HA VAL 58 HA VAL 58 5.680 2.596 -6.825 456 HB VAL 58 HB VAL 58 3.843 0.378 -7.695 457 HG11 VAL 58 HG11 VAL 58 6.873 0.416 -7.820 458 HG12 VAL 58 HG12 VAL 58 5.797 0.382 -9.215 459 HG13 VAL 58 HG13 VAL 58 5.854 -0.996 -8.109 460 HG21 VAL 58 HG21 VAL 58 4.078 0.652 -5.348 461 HG22 VAL 58 HG22 VAL 58 5.825 0.724 -5.477 462 HG23 VAL 58 HG23 VAL 58 4.992 -0.790 -5.811 463 H SER 59 H SER 59 2.956 2.718 -9.047 464 HA SER 59 HA SER 59 4.571 3.084 -11.321 465 HB2 SER 59 HB2 SER 59 1.665 3.845 -10.900 466 HB3 SER 59 HB3 SER 59 2.489 3.981 -12.450 467 HG SER 59 HG SER 59 2.567 1.520 -11.092 468 H ASN 60 H ASN 60 3.599 5.126 -8.751 469 HA ASN 60 HA ASN 60 3.953 7.624 -10.094 470 HB2 ASN 60 HB2 ASN 60 2.338 7.484 -8.291 471 HB3 ASN 60 HB3 ASN 60 3.561 6.871 -7.194 472 HD21 ASN 60 HD21 ASN 60 4.862 8.268 -6.171 473 HD22 ASN 60 HD22 ASN 60 4.721 9.982 -6.284 474 H ASN 61 H ASN 61 5.749 5.682 -7.661 475 HA ASN 61 HA ASN 61 8.231 6.759 -8.609 476 HB2 ASN 61 HB2 ASN 61 7.491 8.545 -7.091 477 HB3 ASN 61 HB3 ASN 61 7.268 7.344 -5.826 478 HD21 ASN 61 HD21 ASN 61 9.967 7.552 -8.100 479 HD22 ASN 61 HD22 ASN 61 11.172 7.836 -6.908 480 H THR 62 H THR 62 9.712 5.213 -8.412 481 HA THR 62 HA THR 62 11.059 3.647 -7.639 482 HB THR 62 HB THR 62 9.378 3.456 -5.116 483 HG1 THR 62 HG1 THR 62 10.115 5.527 -5.231 484 HG21 THR 62 HG21 THR 62 11.454 2.566 -4.123 485 HG22 THR 62 HG22 THR 62 12.273 2.734 -5.674 486 HG23 THR 62 HG23 THR 62 10.957 1.575 -5.498 487 H SER 63 H SER 63 11.319 1.531 -8.064 488 HA SER 63 HA SER 63 9.099 -0.280 -7.841 489 HB2 SER 63 HB2 SER 63 10.596 0.152 -10.458 490 HB3 SER 63 HB3 SER 63 9.366 -1.081 -10.166 491 HG SER 63 HG SER 63 8.370 1.252 -9.429 Start of MODEL 3 1 H1 GLY -3 H1 GLY -3 11.977 2.220 10.798 2 H2 GLY -3 H2 GLY -3 12.690 3.753 10.712 3 H3 GLY -3 H3 GLY -3 11.474 3.310 9.609 4 HA2 GLY -3 HA3 GLY -3 10.647 4.796 11.297 5 HA3 GLY -3 HA2 GLY -3 9.861 3.222 11.338 6 H SER -2 H SER -2 9.313 3.471 13.562 7 HA SER -2 HA SER -2 11.586 2.981 15.291 8 HB2 SER -2 HB2 SER -2 10.379 4.446 17.009 9 HB3 SER -2 HB3 SER -2 11.136 5.286 15.654 10 HG SER -2 HG SER -2 8.488 4.908 16.300 11 H ALA -1 H ALA -1 11.199 0.837 15.532 12 HA ALA -1 HA ALA -1 10.435 -1.070 16.404 13 HB1 ALA -1 HB1 ALA -1 10.131 0.230 18.497 14 HB2 ALA -1 HB2 ALA -1 8.962 -1.082 18.343 15 HB3 ALA -1 HB3 ALA -1 8.472 0.579 18.011 16 H SER 0 H SER 0 7.396 0.679 16.217 17 HA SER 0 HA SER 0 6.499 -1.278 14.244 18 HB2 SER 0 HB2 SER 0 4.851 -0.054 16.479 19 HB3 SER 0 HB3 SER 0 4.244 -1.168 15.250 20 HG SER 0 HG SER 0 6.160 -2.496 16.153 21 H ASN 1 H ASN 1 6.403 -0.201 12.428 22 HA ASN 1 HA ASN 1 5.226 2.453 12.400 23 HB2 ASN 1 HB2 ASN 1 7.697 2.747 12.326 24 HB3 ASN 1 HB3 ASN 1 7.784 1.649 10.971 25 HD21 ASN 1 HD21 ASN 1 5.669 2.775 9.349 26 HD22 ASN 1 HD22 ASN 1 6.153 4.359 8.872 27 H THR 2 H THR 2 3.411 1.499 11.699 28 HA THR 2 HA THR 2 3.397 0.004 9.279 29 HB THR 2 HB THR 2 1.132 1.303 10.803 30 HG1 THR 2 HG1 THR 2 1.859 -1.427 10.531 31 HG21 THR 2 HG21 THR 2 -0.329 -0.130 9.416 32 HG22 THR 2 HG22 THR 2 1.107 -0.699 8.552 33 HG23 THR 2 HG23 THR 2 0.614 0.983 8.408 34 H ILE 3 H ILE 3 3.705 0.844 7.450 35 HA ILE 3 HA ILE 3 2.867 3.567 6.915 36 HB ILE 3 HB ILE 3 5.187 3.708 6.979 37 HG12 ILE 3 HG12 ILE 3 4.553 3.187 4.058 38 HG13 ILE 3 HG13 ILE 3 4.305 4.704 4.911 39 HG21 ILE 3 HG21 ILE 3 5.936 1.540 7.260 40 HG22 ILE 3 HG22 ILE 3 6.719 2.034 5.746 41 HG23 ILE 3 HG23 ILE 3 5.252 1.029 5.736 42 HD11 ILE 3 HD11 ILE 3 6.965 3.396 4.357 43 HD12 ILE 3 HD12 ILE 3 6.725 4.920 5.215 44 HD13 ILE 3 HD13 ILE 3 6.280 4.788 3.517 45 H LEU 4 H LEU 4 1.108 3.406 5.716 46 HA LEU 4 HA LEU 4 0.250 1.157 4.355 47 HB2 LEU 4 HB2 LEU 4 -0.494 4.027 3.835 48 HB3 LEU 4 HB3 LEU 4 -1.399 2.616 3.337 49 HG LEU 4 HG LEU 4 -1.000 3.620 6.141 50 HD11 LEU 4 HD11 LEU 4 -2.648 4.838 4.877 51 HD12 LEU 4 HD12 LEU 4 -3.407 3.875 6.142 52 HD13 LEU 4 HD13 LEU 4 -3.468 3.332 4.465 53 HD21 LEU 4 HD21 LEU 4 -0.880 1.218 6.179 54 HD22 LEU 4 HD22 LEU 4 -2.359 1.092 5.222 55 HD23 LEU 4 HD23 LEU 4 -2.416 1.748 6.862 56 H GLY 5 H GLY 5 0.954 0.251 2.596 57 HA2 GLY 5 HA2 GLY 5 1.322 0.445 0.231 58 HA3 GLY 5 HA3 GLY 5 2.139 1.976 0.536 59 H ASP 6 H ASP 6 3.442 0.618 3.028 60 HA ASP 6 HA ASP 6 5.382 -0.806 1.412 61 HB2 ASP 6 HB2 ASP 6 5.958 1.391 2.720 62 HB3 ASP 6 HB3 ASP 6 6.030 0.249 4.071 63 H LEU 7 H LEU 7 4.728 -2.681 1.554 64 HA LEU 7 HA LEU 7 3.488 -3.849 3.872 65 HB2 LEU 7 HB2 LEU 7 4.114 -4.878 1.143 66 HB3 LEU 7 HB3 LEU 7 3.432 -5.893 2.387 67 HG LEU 7 HG LEU 7 1.437 -4.355 2.445 68 HD11 LEU 7 HD11 LEU 7 2.478 -2.345 1.489 69 HD12 LEU 7 HD12 LEU 7 1.028 -2.862 0.624 70 HD13 LEU 7 HD13 LEU 7 2.622 -3.194 -0.055 71 HD21 LEU 7 HD21 LEU 7 0.524 -5.139 0.375 72 HD22 LEU 7 HD22 LEU 7 1.410 -6.406 1.240 73 HD23 LEU 7 HD23 LEU 7 2.130 -5.610 -0.159 74 H ASN 8 H ASN 8 6.532 -4.077 2.231 75 HA ASN 8 HA ASN 8 7.364 -6.299 3.936 76 HB2 ASN 8 HB2 ASN 8 9.356 -6.493 2.551 77 HB3 ASN 8 HB3 ASN 8 7.931 -6.499 1.538 78 HD21 ASN 8 HD21 ASN 8 10.549 -5.991 0.750 79 HD22 ASN 8 HD22 ASN 8 10.672 -4.377 0.158 80 H ASP 9 H ASP 9 7.297 -3.091 4.165 81 HA ASP 9 HA ASP 9 8.167 -1.569 5.446 82 HB2 ASP 9 HB2 ASP 9 7.436 -2.978 7.294 83 HB3 ASP 9 HB3 ASP 9 8.951 -3.873 7.203 84 H ASP 10 H ASP 10 9.492 -1.380 3.643 85 HA ASP 10 HA ASP 10 12.299 -1.394 4.509 86 HB2 ASP 10 HB2 ASP 10 13.081 -1.662 2.164 87 HB3 ASP 10 HB3 ASP 10 11.979 -2.944 2.644 88 H GLY 11 H GLY 11 9.724 0.502 3.904 89 HA2 GLY 11 HA2 GLY 11 9.619 2.789 4.365 90 HA3 GLY 11 HA3 GLY 11 11.359 2.887 4.179 91 H VAL 12 H VAL 12 9.784 1.366 1.567 92 HA VAL 12 HA VAL 12 9.345 3.758 0.104 93 HB VAL 12 HB VAL 12 11.730 3.705 -0.160 94 HG11 VAL 12 HG11 VAL 12 11.515 0.853 -1.072 95 HG12 VAL 12 HG12 VAL 12 12.129 1.431 0.475 96 HG13 VAL 12 HG13 VAL 12 12.999 1.822 -1.015 97 HG21 VAL 12 HG21 VAL 12 10.561 4.322 -2.196 98 HG22 VAL 12 HG22 VAL 12 10.449 2.631 -2.670 99 HG23 VAL 12 HG23 VAL 12 12.023 3.422 -2.603 100 H VAL 13 H VAL 13 7.667 3.417 -1.268 101 HA VAL 13 HA VAL 13 6.590 0.857 -1.453 102 HB VAL 13 HB VAL 13 4.865 1.963 -2.952 103 HG11 VAL 13 HG11 VAL 13 4.512 1.825 -0.550 104 HG12 VAL 13 HG12 VAL 13 3.887 3.351 -1.165 105 HG13 VAL 13 HG13 VAL 13 5.432 3.311 -0.313 106 HG21 VAL 13 HG21 VAL 13 6.195 3.740 -3.958 107 HG22 VAL 13 HG22 VAL 13 6.481 4.446 -2.372 108 HG23 VAL 13 HG23 VAL 13 4.865 4.471 -3.051 109 H ASN 14 H ASN 14 7.702 -0.603 -2.657 110 HA ASN 14 HA ASN 14 8.291 0.131 -5.410 111 HB2 ASN 14 HB2 ASN 14 10.433 -1.007 -5.422 112 HB3 ASN 14 HB3 ASN 14 10.426 0.203 -4.151 113 HD21 ASN 14 HD21 ASN 14 10.350 -0.467 -2.131 114 HD22 ASN 14 HD22 ASN 14 10.879 -2.024 -1.556 115 H GLY 15 H GLY 15 9.255 -2.195 -6.304 116 HA2 GLY 15 HA2 GLY 15 6.864 -3.574 -6.893 117 HA3 GLY 15 HA3 GLY 15 8.425 -4.091 -7.393 118 H ARG 16 H ARG 16 9.263 -4.179 -4.451 119 HA ARG 16 HA ARG 16 8.722 -6.932 -4.013 120 HB2 ARG 16 HB2 ARG 16 9.652 -4.852 -2.053 121 HB3 ARG 16 HB3 ARG 16 9.728 -6.572 -1.768 122 HG2 ARG 16 HG2 ARG 16 11.172 -5.090 -3.935 123 HG3 ARG 16 HG3 ARG 16 11.901 -5.610 -2.409 124 HD2 ARG 16 HD2 ARG 16 11.504 -7.919 -3.014 125 HD3 ARG 16 HD3 ARG 16 10.679 -7.404 -4.486 126 HE ARG 16 HE ARG 16 13.318 -6.380 -4.238 127 HH11 ARG 16 HH11 ARG 16 11.495 -9.225 -5.254 128 HH12 ARG 16 HH12 ARG 16 12.610 -9.713 -6.449 129 HH21 ARG 16 HH21 ARG 16 14.890 -7.053 -5.838 130 HH22 ARG 16 HH22 ARG 16 14.611 -8.472 -6.746 131 H ASP 17 H ASP 17 7.143 -3.999 -3.063 132 HA ASP 17 HA ASP 17 5.590 -5.047 -0.938 133 HB2 ASP 17 HB2 ASP 17 5.171 -2.634 -2.693 134 HB3 ASP 17 HB3 ASP 17 4.271 -2.972 -1.228 135 H ILE 18 H ILE 18 5.057 -4.434 -4.362 136 HA ILE 18 HA ILE 18 2.491 -5.258 -4.755 137 HB ILE 18 HB ILE 18 4.958 -5.514 -6.489 138 HG12 ILE 18 HG12 ILE 18 3.888 -3.856 -7.899 139 HG13 ILE 18 HG13 ILE 18 2.461 -3.870 -6.825 140 HG21 ILE 18 HG21 ILE 18 3.609 -6.166 -8.432 141 HG22 ILE 18 HG22 ILE 18 2.208 -6.359 -7.379 142 HG23 ILE 18 HG23 ILE 18 3.620 -7.397 -7.168 143 HD11 ILE 18 HD11 ILE 18 3.831 -2.946 -5.088 144 HD12 ILE 18 HD12 ILE 18 3.809 -1.931 -6.534 145 HD13 ILE 18 HD13 ILE 18 5.219 -2.933 -6.168 146 H VAL 19 H VAL 19 5.354 -7.185 -4.496 147 HA VAL 19 HA VAL 19 4.286 -9.745 -5.080 148 HB VAL 19 HB VAL 19 6.571 -9.195 -3.185 149 HG11 VAL 19 HG11 VAL 19 7.421 -11.337 -3.969 150 HG12 VAL 19 HG12 VAL 19 5.999 -11.529 -4.991 151 HG13 VAL 19 HG13 VAL 19 5.824 -11.493 -3.234 152 HG21 VAL 19 HG21 VAL 19 6.975 -7.925 -5.160 153 HG22 VAL 19 HG22 VAL 19 6.632 -9.321 -6.188 154 HG23 VAL 19 HG23 VAL 19 8.065 -9.314 -5.136 155 H MET 20 H MET 20 4.943 -8.146 -2.009 156 HA MET 20 HA MET 20 4.048 -10.157 -0.253 157 HB2 MET 20 HB2 MET 20 3.937 -7.181 0.242 158 HB3 MET 20 HB3 MET 20 4.019 -8.504 1.407 159 HG2 MET 20 HG2 MET 20 6.186 -8.010 -0.585 160 HG3 MET 20 HG3 MET 20 6.153 -7.167 0.944 161 HE1 MET 20 HE1 MET 20 5.256 -9.111 3.102 162 HE2 MET 20 HE2 MET 20 6.771 -8.223 3.238 163 HE3 MET 20 HE3 MET 20 6.734 -9.957 3.547 164 H MET 21 H MET 21 2.441 -7.439 -1.725 165 HA MET 21 HA MET 21 -0.087 -7.393 -0.588 166 HB2 MET 21 HB2 MET 21 0.935 -5.819 -2.276 167 HB3 MET 21 HB3 MET 21 0.660 -7.063 -3.470 168 HG2 MET 21 HG2 MET 21 -1.051 -5.605 -3.857 169 HG3 MET 21 HG3 MET 21 -1.854 -6.804 -2.858 170 HE1 MET 21 HE1 MET 21 -2.906 -6.178 -0.457 171 HE2 MET 21 HE2 MET 21 -2.430 -4.710 0.412 172 HE3 MET 21 HE3 MET 21 -1.261 -5.988 0.173 173 H ARG 22 H ARG 22 1.013 -9.007 -3.498 174 HA ARG 22 HA ARG 22 -1.347 -10.406 -4.066 175 HB2 ARG 22 HB2 ARG 22 1.477 -10.640 -4.990 176 HB3 ARG 22 HB3 ARG 22 0.209 -11.719 -5.586 177 HG2 ARG 22 HG2 ARG 22 -0.966 -9.866 -6.542 178 HG3 ARG 22 HG3 ARG 22 0.128 -8.714 -5.774 179 HD2 ARG 22 HD2 ARG 22 1.952 -9.451 -7.109 180 HD3 ARG 22 HD3 ARG 22 1.044 -10.812 -7.748 181 HE ARG 22 HE ARG 22 -0.257 -8.389 -8.351 182 HH11 ARG 22 HH11 ARG 22 2.598 -10.251 -9.294 183 HH12 ARG 22 HH12 ARG 22 2.609 -9.698 -10.903 184 HH21 ARG 22 HH21 ARG 22 -0.226 -7.612 -10.581 185 HH22 ARG 22 HH22 ARG 22 0.978 -8.163 -11.642 186 H GLN 23 H GLN 23 1.452 -11.238 -2.127 187 HA GLN 23 HA GLN 23 1.052 -14.014 -1.910 188 HB2 GLN 23 HB2 GLN 23 2.059 -12.125 0.200 189 HB3 GLN 23 HB3 GLN 23 2.254 -13.885 0.171 190 HG2 GLN 23 HG2 GLN 23 3.393 -12.027 -1.889 191 HG3 GLN 23 HG3 GLN 23 4.269 -12.600 -0.491 192 HE21 GLN 23 HE21 GLN 23 4.542 -13.150 -3.449 193 HE22 GLN 23 HE22 GLN 23 4.576 -14.886 -3.510 194 H TYR 24 H TYR 24 0.075 -11.401 0.295 195 HA TYR 24 HA TYR 24 -1.403 -13.070 2.000 196 HB2 TYR 24 HB2 TYR 24 -0.443 -10.858 2.525 197 HB3 TYR 24 HB3 TYR 24 -1.680 -10.093 1.586 198 HD1 TYR 24 HD1 TYR 24 -3.986 -10.021 2.323 199 HD2 TYR 24 HD2 TYR 24 -1.010 -11.896 4.699 200 HE1 TYR 24 HE1 TYR 24 -5.510 -10.014 4.175 201 HE2 TYR 24 HE2 TYR 24 -2.540 -11.902 6.617 202 HH TYR 24 HH TYR 24 -5.867 -11.195 6.275 203 H LEU 25 H LEU 25 -2.285 -10.985 -0.581 204 HA LEU 25 HA LEU 25 -5.093 -11.301 -0.594 205 HB2 LEU 25 HB2 LEU 25 -3.282 -10.839 -2.954 206 HB3 LEU 25 HB3 LEU 25 -5.023 -10.833 -3.059 207 HG LEU 25 HG LEU 25 -3.369 -8.918 -1.429 208 HD11 LEU 25 HD11 LEU 25 -4.839 -8.563 -4.041 209 HD12 LEU 25 HD12 LEU 25 -3.087 -8.562 -3.817 210 HD13 LEU 25 HD13 LEU 25 -4.072 -7.277 -3.114 211 HD21 LEU 25 HD21 LEU 25 -5.583 -9.237 -0.446 212 HD22 LEU 25 HD22 LEU 25 -6.324 -8.964 -2.027 213 HD23 LEU 25 HD23 LEU 25 -5.472 -7.654 -1.223 214 H ALA 26 H ALA 26 -2.648 -13.339 -2.071 215 HA ALA 26 HA ALA 26 -4.489 -15.116 -3.353 216 HB1 ALA 26 HB1 ALA 26 -1.619 -15.588 -2.579 217 HB2 ALA 26 HB2 ALA 26 -2.163 -14.891 -4.106 218 HB3 ALA 26 HB3 ALA 26 -2.555 -16.568 -3.707 219 H GLY 27 H GLY 27 -3.636 -14.696 -0.132 220 HA2 GLY 27 HA2 GLY 27 -4.692 -15.812 1.613 221 HA3 GLY 27 HA3 GLY 27 -4.898 -17.193 0.540 222 H LYS 28 H LYS 28 -1.801 -15.669 0.602 223 HA LYS 28 HA LYS 28 -0.750 -18.034 1.922 224 HB2 LYS 28 HB2 LYS 28 0.870 -15.856 0.565 225 HB3 LYS 28 HB3 LYS 28 1.360 -17.461 1.012 226 HG2 LYS 28 HG2 LYS 28 -0.129 -18.429 -0.660 227 HG3 LYS 28 HG3 LYS 28 -0.685 -16.801 -1.075 228 HD2 LYS 28 HD2 LYS 28 0.952 -17.418 -2.705 229 HD3 LYS 28 HD3 LYS 28 1.664 -16.227 -1.608 230 HE2 LYS 28 HE2 LYS 28 2.748 -18.052 -0.352 231 HE3 LYS 28 HE3 LYS 28 2.085 -19.207 -1.507 232 HZ1 LYS 28 HZ1 LYS 28 3.378 -18.144 -3.252 233 HZ2 LYS 28 HZ2 LYS 28 4.386 -18.577 -1.960 234 HZ3 LYS 28 HZ3 LYS 28 3.894 -16.983 -2.139 235 H THR 29 H THR 29 0.721 -17.843 3.583 236 HA THR 29 HA THR 29 0.281 -15.542 5.310 237 HB THR 29 HB THR 29 1.830 -18.090 5.896 238 HG1 THR 29 HG1 THR 29 -0.855 -17.597 5.628 239 HG21 THR 29 HG21 THR 29 0.463 -16.085 7.709 240 HG22 THR 29 HG22 THR 29 2.201 -16.195 7.440 241 HG23 THR 29 HG23 THR 29 1.346 -17.521 8.231 242 H VAL 30 H VAL 30 1.704 -13.898 5.085 243 HA VAL 30 HA VAL 30 4.255 -14.461 3.823 244 HB VAL 30 HB VAL 30 3.381 -11.724 4.450 245 HG11 VAL 30 HG11 VAL 30 5.432 -12.128 3.208 246 HG12 VAL 30 HG12 VAL 30 4.271 -11.281 2.179 247 HG13 VAL 30 HG13 VAL 30 4.520 -13.006 1.977 248 HG21 VAL 30 HG21 VAL 30 1.241 -12.590 3.751 249 HG22 VAL 30 HG22 VAL 30 1.962 -13.323 2.322 250 HG23 VAL 30 HG23 VAL 30 1.887 -11.566 2.467 251 H SER 31 H SER 31 5.871 -14.749 5.199 252 HA SER 31 HA SER 31 5.694 -13.888 7.906 253 HB2 SER 31 HB2 SER 31 8.056 -14.895 7.961 254 HB3 SER 31 HB3 SER 31 6.711 -15.981 7.605 255 HG SER 31 HG SER 31 7.953 -14.704 5.471 256 H GLY 32 H GLY 32 6.220 -11.965 8.648 257 HA2 GLY 32 HA2 GLY 32 7.661 -10.188 9.062 258 HA3 GLY 32 HA3 GLY 32 8.553 -10.594 7.604 259 H ILE 33 H ILE 33 5.050 -10.256 7.603 260 HA ILE 33 HA ILE 33 5.421 -7.913 5.919 261 HB ILE 33 HB ILE 33 4.144 -9.954 5.014 262 HG12 ILE 33 HG12 ILE 33 2.558 -7.394 5.139 263 HG13 ILE 33 HG13 ILE 33 3.948 -7.619 4.113 264 HG21 ILE 33 HG21 ILE 33 2.003 -9.033 6.952 265 HG22 ILE 33 HG22 ILE 33 2.866 -10.571 7.014 266 HG23 ILE 33 HG23 ILE 33 1.782 -10.217 5.672 267 HD11 ILE 33 HD11 ILE 33 1.922 -7.989 2.797 268 HD12 ILE 33 HD12 ILE 33 1.365 -9.186 3.958 269 HD13 ILE 33 HD13 ILE 33 2.792 -9.511 2.986 270 H ASP 34 H ASP 34 4.342 -5.999 6.418 271 HA ASP 34 HA ASP 34 3.306 -5.901 9.156 272 HB2 ASP 34 HB2 ASP 34 4.795 -3.955 7.979 273 HB3 ASP 34 HB3 ASP 34 3.245 -3.544 7.302 274 H LYS 35 H LYS 35 1.347 -6.845 9.129 275 HA LYS 35 HA LYS 35 -0.236 -7.159 6.879 276 HB2 LYS 35 HB2 LYS 35 -0.369 -8.520 8.992 277 HB3 LYS 35 HB3 LYS 35 -1.351 -7.228 9.675 278 HG2 LYS 35 HG2 LYS 35 -2.841 -7.529 7.601 279 HG3 LYS 35 HG3 LYS 35 -1.975 -9.020 7.360 280 HD2 LYS 35 HD2 LYS 35 -3.463 -8.367 9.900 281 HD3 LYS 35 HD3 LYS 35 -4.113 -9.346 8.587 282 HE2 LYS 35 HE2 LYS 35 -2.282 -10.945 8.896 283 HE3 LYS 35 HE3 LYS 35 -1.648 -9.956 10.212 284 HZ1 LYS 35 HZ1 LYS 35 -2.944 -11.763 11.070 285 HZ2 LYS 35 HZ2 LYS 35 -4.280 -11.315 10.156 286 HZ3 LYS 35 HZ3 LYS 35 -3.728 -10.309 11.401 287 H ASN 36 H ASN 36 -0.307 -4.528 9.183 288 HA ASN 36 HA ASN 36 -2.833 -3.495 8.309 289 HB2 ASN 36 HB2 ASN 36 -0.696 -2.436 10.128 290 HB3 ASN 36 HB3 ASN 36 -2.073 -1.469 9.633 291 HD21 ASN 36 HD21 ASN 36 -1.016 -4.194 11.411 292 HD22 ASN 36 HD22 ASN 36 -2.451 -4.404 12.360 293 H ALA 37 H ALA 37 0.320 -3.370 7.094 294 HA ALA 37 HA ALA 37 0.037 -0.691 6.012 295 HB1 ALA 37 HB1 ALA 37 2.180 -2.739 5.478 296 HB2 ALA 37 HB2 ALA 37 2.240 -1.489 6.727 297 HB3 ALA 37 HB3 ALA 37 2.220 -1.034 5.028 298 H LEU 38 H LEU 38 -1.137 -3.608 5.260 299 HA LEU 38 HA LEU 38 -0.955 -3.522 2.397 300 HB2 LEU 38 HB2 LEU 38 -2.497 -5.284 4.272 301 HB3 LEU 38 HB3 LEU 38 -2.724 -5.330 2.548 302 HG LEU 38 HG LEU 38 -0.350 -5.974 2.273 303 HD11 LEU 38 HD11 LEU 38 -0.402 -6.142 5.225 304 HD12 LEU 38 HD12 LEU 38 0.617 -5.099 4.219 305 HD13 LEU 38 HD13 LEU 38 0.805 -6.864 4.161 306 HD21 LEU 38 HD21 LEU 38 -2.038 -7.632 2.233 307 HD22 LEU 38 HD22 LEU 38 -2.072 -7.694 3.993 308 HD23 LEU 38 HD23 LEU 38 -0.642 -8.254 3.120 309 H ASP 39 H ASP 39 -3.164 -2.384 4.826 310 HA ASP 39 HA ASP 39 -5.195 -1.980 2.817 311 HB2 ASP 39 HB2 ASP 39 -5.958 -2.693 4.985 312 HB3 ASP 39 HB3 ASP 39 -5.196 -1.312 5.767 313 H ILE 40 H ILE 40 -4.044 -0.789 1.537 314 HA ILE 40 HA ILE 40 -2.749 1.628 2.239 315 HB ILE 40 HB ILE 40 -3.346 0.491 -0.512 316 HG12 ILE 40 HG12 ILE 40 -0.885 0.292 1.164 317 HG13 ILE 40 HG13 ILE 40 -2.114 -0.946 1.205 318 HG21 ILE 40 HG21 ILE 40 -1.270 2.490 0.428 319 HG22 ILE 40 HG22 ILE 40 -2.716 2.884 -0.500 320 HG23 ILE 40 HG23 ILE 40 -1.454 1.878 -1.220 321 HD11 ILE 40 HD11 ILE 40 -1.791 -1.354 -1.169 322 HD12 ILE 40 HD12 ILE 40 -0.324 -1.612 -0.243 323 HD13 ILE 40 HD13 ILE 40 -0.514 -0.134 -1.206 324 H ASN 41 H ASN 41 -5.854 0.828 0.769 325 HA ASN 41 HA ASN 41 -6.311 3.611 0.124 326 HB2 ASN 41 HB2 ASN 41 -8.395 2.957 -0.855 327 HB3 ASN 41 HB3 ASN 41 -7.258 1.681 -1.253 328 HD21 ASN 41 HD21 ASN 41 -10.096 1.563 -1.226 329 HD22 ASN 41 HD22 ASN 41 -10.529 0.354 -0.069 330 H GLY 42 H GLY 42 -6.512 1.781 2.860 331 HA2 GLY 42 HA2 GLY 42 -7.257 2.249 4.987 332 HA3 GLY 42 HA3 GLY 42 -7.668 3.855 4.413 333 H ASP 43 H ASP 43 -8.892 0.543 3.902 334 HA ASP 43 HA ASP 43 -11.559 1.616 4.554 335 HB2 ASP 43 HB2 ASP 43 -12.643 -0.176 3.177 336 HB3 ASP 43 HB3 ASP 43 -11.663 0.911 2.211 337 H GLY 44 H GLY 44 -9.150 -0.496 5.478 338 HA2 GLY 44 HA2 GLY 44 -9.177 -1.370 7.676 339 HA3 GLY 44 HA3 GLY 44 -10.913 -1.589 7.520 340 H ALA 45 H ALA 45 -10.032 -2.674 4.659 341 HA ALA 45 HA ALA 45 -9.366 -5.363 5.632 342 HB1 ALA 45 HB1 ALA 45 -10.875 -6.272 3.926 343 HB2 ALA 45 HB2 ALA 45 -11.314 -4.626 3.457 344 HB3 ALA 45 HB3 ALA 45 -11.738 -5.228 5.060 345 H VAL 46 H VAL 46 -8.239 -6.686 4.054 346 HA VAL 46 HA VAL 46 -6.532 -5.106 2.374 347 HB VAL 46 HB VAL 46 -6.366 -8.001 3.241 348 HG11 VAL 46 HG11 VAL 46 -5.274 -7.566 1.183 349 HG12 VAL 46 HG12 VAL 46 -4.064 -7.800 2.474 350 HG13 VAL 46 HG13 VAL 46 -4.468 -6.163 1.891 351 HG21 VAL 46 HG21 VAL 46 -4.894 -5.586 4.307 352 HG22 VAL 46 HG22 VAL 46 -4.588 -7.261 4.764 353 HG23 VAL 46 HG23 VAL 46 -6.131 -6.506 5.164 354 H ASN 47 H ASN 47 -7.326 -4.885 0.430 355 HA ASN 47 HA ASN 47 -8.497 -7.165 -0.936 356 HB2 ASN 47 HB2 ASN 47 -10.290 -5.513 -1.832 357 HB3 ASN 47 HB3 ASN 47 -10.512 -6.216 -0.236 358 HD21 ASN 47 HD21 ASN 47 -11.661 -4.688 0.700 359 HD22 ASN 47 HD22 ASN 47 -11.178 -3.061 0.946 360 H GLY 48 H GLY 48 -9.110 -6.358 -3.335 361 HA2 GLY 48 HA2 GLY 48 -6.601 -5.903 -4.534 362 HA3 GLY 48 HA3 GLY 48 -8.125 -5.995 -5.382 363 H ARG 49 H ARG 49 -8.976 -3.792 -3.420 364 HA ARG 49 HA ARG 49 -8.552 -1.539 -5.100 365 HB2 ARG 49 HB2 ARG 49 -9.257 -1.564 -2.161 366 HB3 ARG 49 HB3 ARG 49 -9.519 -0.234 -3.272 367 HG2 ARG 49 HG2 ARG 49 -10.801 -2.924 -3.482 368 HG3 ARG 49 HG3 ARG 49 -11.530 -1.506 -2.734 369 HD2 ARG 49 HD2 ARG 49 -11.556 -0.334 -4.823 370 HD3 ARG 49 HD3 ARG 49 -10.536 -1.544 -5.585 371 HE ARG 49 HE ARG 49 -12.737 -2.913 -4.788 372 HH11 ARG 49 HH11 ARG 49 -12.286 -0.016 -6.750 373 HH12 ARG 49 HH12 ARG 49 -13.474 -0.415 -7.896 374 HH21 ARG 49 HH21 ARG 49 -14.382 -3.492 -6.333 375 HH22 ARG 49 HH22 ARG 49 -14.723 -2.452 -7.640 376 H ASP 50 H ASP 50 -7.062 -2.722 -2.159 377 HA ASP 50 HA ASP 50 -5.265 -0.578 -1.711 378 HB2 ASP 50 HB2 ASP 50 -4.962 -3.471 -0.928 379 HB3 ASP 50 HB3 ASP 50 -4.096 -2.090 -0.265 380 H LEU 51 H LEU 51 -5.093 -3.644 -3.325 381 HA LEU 51 HA LEU 51 -2.436 -3.661 -4.152 382 HB2 LEU 51 HB2 LEU 51 -3.750 -5.625 -4.388 383 HB3 LEU 51 HB3 LEU 51 -4.946 -4.789 -5.345 384 HG LEU 51 HG LEU 51 -3.408 -4.725 -7.248 385 HD11 LEU 51 HD11 LEU 51 -1.255 -4.716 -5.963 386 HD12 LEU 51 HD12 LEU 51 -1.312 -5.906 -7.257 387 HD13 LEU 51 HD13 LEU 51 -1.534 -6.427 -5.594 388 HD21 LEU 51 HD21 LEU 51 -4.945 -6.570 -6.980 389 HD22 LEU 51 HD22 LEU 51 -3.747 -7.433 -6.015 390 HD23 LEU 51 HD23 LEU 51 -3.441 -7.123 -7.722 391 H MET 52 H MET 52 -5.289 -2.362 -5.758 392 HA MET 52 HA MET 52 -3.857 -1.325 -7.953 393 HB2 MET 52 HB2 MET 52 -6.600 -0.675 -6.911 394 HB3 MET 52 HB3 MET 52 -5.948 0.019 -8.397 395 HG2 MET 52 HG2 MET 52 -5.600 -2.331 -9.219 396 HG3 MET 52 HG3 MET 52 -6.438 -2.845 -7.751 397 HE1 MET 52 HE1 MET 52 -7.811 -4.252 -9.648 398 HE2 MET 52 HE2 MET 52 -7.052 -3.368 -10.970 399 HE3 MET 52 HE3 MET 52 -8.810 -3.472 -10.874 400 H GLU 53 H GLU 53 -4.626 0.037 -4.841 401 HA GLU 53 HA GLU 53 -3.711 2.664 -5.369 402 HB2 GLU 53 HB2 GLU 53 -3.829 1.076 -2.815 403 HB3 GLU 53 HB3 GLU 53 -3.313 2.742 -2.870 404 HG2 GLU 53 HG2 GLU 53 -6.016 1.730 -3.718 405 HG3 GLU 53 HG3 GLU 53 -5.653 2.489 -2.173 406 H LEU 54 H LEU 54 -2.162 -0.265 -4.185 407 HA LEU 54 HA LEU 54 0.360 0.757 -3.673 408 HB2 LEU 54 HB2 LEU 54 -0.519 -1.462 -3.006 409 HB3 LEU 54 HB3 LEU 54 -0.342 -1.983 -4.655 410 HG LEU 54 HG LEU 54 2.056 -1.801 -4.556 411 HD11 LEU 54 HD11 LEU 54 1.610 -0.803 -1.751 412 HD12 LEU 54 HD12 LEU 54 2.251 0.135 -3.099 413 HD13 LEU 54 HD13 LEU 54 3.179 -1.213 -2.443 414 HD21 LEU 54 HD21 LEU 54 0.924 -3.203 -2.147 415 HD22 LEU 54 HD22 LEU 54 2.490 -3.525 -2.891 416 HD23 LEU 54 HD23 LEU 54 1.000 -3.850 -3.781 417 H ILE 55 H ILE 55 -0.933 -0.762 -6.536 418 HA ILE 55 HA ILE 55 1.334 -0.555 -8.228 419 HB ILE 55 HB ILE 55 -1.575 -0.393 -9.102 420 HG12 ILE 55 HG12 ILE 55 0.193 -2.848 -8.887 421 HG13 ILE 55 HG13 ILE 55 -1.032 -2.397 -7.712 422 HG21 ILE 55 HG21 ILE 55 0.904 -1.239 -10.636 423 HG22 ILE 55 HG22 ILE 55 0.032 0.276 -10.859 424 HG23 ILE 55 HG23 ILE 55 -0.743 -1.256 -11.268 425 HD11 ILE 55 HD11 ILE 55 -1.535 -3.103 -10.596 426 HD12 ILE 55 HD12 ILE 55 -2.761 -2.651 -9.413 427 HD13 ILE 55 HD13 ILE 55 -1.840 -4.133 -9.196 428 H LYS 56 H LYS 56 -1.356 1.650 -7.694 429 HA LYS 56 HA LYS 56 -0.617 3.794 -9.270 430 HB2 LYS 56 HB2 LYS 56 -2.668 4.104 -8.349 431 HB3 LYS 56 HB3 LYS 56 -2.206 3.311 -6.858 432 HG2 LYS 56 HG2 LYS 56 -1.072 5.418 -6.150 433 HG3 LYS 56 HG3 LYS 56 -1.707 6.190 -7.614 434 HD2 LYS 56 HD2 LYS 56 -3.944 5.836 -6.925 435 HD3 LYS 56 HD3 LYS 56 -3.446 4.791 -5.596 436 HE2 LYS 56 HE2 LYS 56 -2.350 6.703 -4.532 437 HE3 LYS 56 HE3 LYS 56 -2.892 7.738 -5.855 438 HZ1 LYS 56 HZ1 LYS 56 -5.167 7.314 -5.240 439 HZ2 LYS 56 HZ2 LYS 56 -4.341 7.836 -3.871 440 HZ3 LYS 56 HZ3 LYS 56 -4.708 6.209 -4.061 441 H LYS 57 H LYS 57 0.380 3.094 -5.953 442 HA LYS 57 HA LYS 57 1.974 5.348 -5.444 443 HB2 LYS 57 HB2 LYS 57 2.345 2.538 -4.407 444 HB3 LYS 57 HB3 LYS 57 3.075 3.969 -3.704 445 HG2 LYS 57 HG2 LYS 57 0.137 3.262 -3.766 446 HG3 LYS 57 HG3 LYS 57 1.239 3.149 -2.397 447 HD2 LYS 57 HD2 LYS 57 0.498 5.718 -3.793 448 HD3 LYS 57 HD3 LYS 57 -0.276 5.117 -2.334 449 HE2 LYS 57 HE2 LYS 57 1.949 5.115 -1.196 450 HE3 LYS 57 HE3 LYS 57 2.631 5.893 -2.622 451 HZ1 LYS 57 HZ1 LYS 57 2.069 7.547 -0.956 452 HZ2 LYS 57 HZ2 LYS 57 0.488 6.983 -0.891 453 HZ3 LYS 57 HZ3 LYS 57 1.043 7.724 -2.278 454 H VAL 58 H VAL 58 2.931 2.098 -6.513 455 HA VAL 58 HA VAL 58 5.672 2.789 -6.794 456 HB VAL 58 HB VAL 58 4.139 0.361 -7.658 457 HG11 VAL 58 HG11 VAL 58 6.340 0.460 -8.762 458 HG12 VAL 58 HG12 VAL 58 6.359 -0.803 -7.524 459 HG13 VAL 58 HG13 VAL 58 7.118 0.758 -7.212 460 HG21 VAL 58 HG21 VAL 58 5.009 -0.608 -5.521 461 HG22 VAL 58 HG22 VAL 58 3.882 0.732 -5.311 462 HG23 VAL 58 HG23 VAL 58 5.610 0.997 -5.114 463 H SER 59 H SER 59 2.987 2.598 -9.031 464 HA SER 59 HA SER 59 4.437 2.702 -11.435 465 HB2 SER 59 HB2 SER 59 1.967 2.327 -11.321 466 HB3 SER 59 HB3 SER 59 1.746 4.004 -10.840 467 HG SER 59 HG SER 59 3.185 3.644 -13.151 468 H ASN 60 H ASN 60 3.601 5.102 -9.095 469 HA ASN 60 HA ASN 60 4.548 7.357 -10.626 470 HB2 ASN 60 HB2 ASN 60 2.617 7.700 -9.258 471 HB3 ASN 60 HB3 ASN 60 3.409 7.012 -7.854 472 HD21 ASN 60 HD21 ASN 60 4.729 8.286 -6.629 473 HD22 ASN 60 HD22 ASN 60 4.925 9.976 -6.874 474 H ASN 61 H ASN 61 5.694 5.262 -8.016 475 HA ASN 61 HA ASN 61 8.236 6.700 -8.018 476 HB2 ASN 61 HB2 ASN 61 6.992 7.681 -6.214 477 HB3 ASN 61 HB3 ASN 61 6.512 6.107 -5.614 478 HD21 ASN 61 HD21 ASN 61 7.841 5.030 -4.252 479 HD22 ASN 61 HD22 ASN 61 9.321 5.669 -3.648 480 H THR 62 H THR 62 9.880 5.343 -8.249 481 HA THR 62 HA THR 62 11.294 3.646 -8.140 482 HB THR 62 HB THR 62 9.613 2.108 -6.104 483 HG1 THR 62 HG1 THR 62 9.557 4.101 -5.255 484 HG21 THR 62 HG21 THR 62 11.817 1.658 -5.112 485 HG22 THR 62 HG22 THR 62 12.586 2.700 -6.298 486 HG23 THR 62 HG23 THR 62 11.856 1.184 -6.808 487 H SER 63 H SER 63 10.717 0.702 -7.907 488 HA SER 63 HA SER 63 8.977 0.226 -10.126 489 HB2 SER 63 HB2 SER 63 11.915 -0.538 -10.050 490 HB3 SER 63 HB3 SER 63 10.763 -1.013 -11.296 491 HG SER 63 HG SER 63 10.500 1.488 -11.219 Start of MODEL 4 1 H1 GLY -3 H1 GLY -3 4.445 -3.734 16.754 2 H2 GLY -3 H2 GLY -3 6.028 -3.539 16.252 3 H3 GLY -3 H3 GLY -3 5.414 -5.102 16.464 4 HA2 GLY -3 HA3 GLY -3 5.556 -4.535 14.140 5 HA3 GLY -3 HA2 GLY -3 3.864 -4.653 14.620 6 H SER -2 H SER -2 4.041 -3.241 12.479 7 HA SER -2 HA SER -2 4.360 -0.444 13.282 8 HB2 SER -2 HB2 SER -2 4.243 -1.659 10.521 9 HB3 SER -2 HB3 SER -2 4.609 0.022 10.924 10 HG SER -2 HG SER -2 6.540 -0.515 11.585 11 H ALA -1 H ALA -1 2.340 -0.851 14.465 12 HA ALA -1 HA ALA -1 0.076 -0.418 12.669 13 HB1 ALA -1 HB1 ALA -1 0.054 -1.185 15.602 14 HB2 ALA -1 HB2 ALA -1 -0.235 -2.285 14.256 15 HB3 ALA -1 HB3 ALA -1 -1.364 -0.971 14.577 16 H SER 0 H SER 0 -0.873 1.425 12.686 17 HA SER 0 HA SER 0 -1.565 3.509 13.108 18 HB2 SER 0 HB2 SER 0 -0.084 3.225 15.687 19 HB3 SER 0 HB3 SER 0 -1.172 4.593 15.334 20 HG SER 0 HG SER 0 -2.291 2.138 14.880 21 H ASN 1 H ASN 1 1.815 2.834 13.688 22 HA ASN 1 HA ASN 1 2.356 5.108 11.940 23 HB2 ASN 1 HB2 ASN 1 3.746 5.099 14.063 24 HB3 ASN 1 HB3 ASN 1 4.398 3.536 13.576 25 HD21 ASN 1 HD21 ASN 1 5.941 3.462 11.931 26 HD22 ASN 1 HD22 ASN 1 6.694 4.875 11.295 27 H THR 2 H THR 2 1.372 3.888 10.379 28 HA THR 2 HA THR 2 2.836 1.560 9.429 29 HB THR 2 HB THR 2 -0.028 2.361 8.893 30 HG1 THR 2 HG1 THR 2 0.966 0.414 10.705 31 HG21 THR 2 HG21 THR 2 1.015 0.889 7.255 32 HG22 THR 2 HG22 THR 2 -0.246 0.052 8.158 33 HG23 THR 2 HG23 THR 2 1.454 -0.240 8.534 34 H ILE 3 H ILE 3 3.573 1.765 7.376 35 HA ILE 3 HA ILE 3 2.801 4.186 5.986 36 HB ILE 3 HB ILE 3 5.115 4.144 6.293 37 HG12 ILE 3 HG12 ILE 3 4.616 3.221 3.437 38 HG13 ILE 3 HG13 ILE 3 4.450 4.862 4.032 39 HG21 ILE 3 HG21 ILE 3 5.594 1.966 6.936 40 HG22 ILE 3 HG22 ILE 3 6.558 2.187 5.465 41 HG23 ILE 3 HG23 ILE 3 5.029 1.293 5.427 42 HD11 ILE 3 HD11 ILE 3 6.518 4.560 2.770 43 HD12 ILE 3 HD12 ILE 3 7.041 3.307 3.894 44 HD13 ILE 3 HD13 ILE 3 6.856 4.968 4.449 45 H LEU 4 H LEU 4 1.067 3.760 4.953 46 HA LEU 4 HA LEU 4 0.317 1.301 3.862 47 HB2 LEU 4 HB2 LEU 4 -0.710 4.057 3.243 48 HB3 LEU 4 HB3 LEU 4 -1.492 2.533 2.877 49 HG LEU 4 HG LEU 4 -1.030 3.729 5.610 50 HD11 LEU 4 HD11 LEU 4 -3.565 3.171 4.107 51 HD12 LEU 4 HD12 LEU 4 -2.848 4.750 4.432 52 HD13 LEU 4 HD13 LEU 4 -3.455 3.766 5.764 53 HD21 LEU 4 HD21 LEU 4 -2.248 1.042 4.923 54 HD22 LEU 4 HD22 LEU 4 -2.214 1.796 6.520 55 HD23 LEU 4 HD23 LEU 4 -0.700 1.363 5.719 56 H GLY 5 H GLY 5 1.244 0.396 2.272 57 HA2 GLY 5 HA2 GLY 5 1.515 0.491 -0.171 58 HA3 GLY 5 HA3 GLY 5 2.276 2.062 0.090 59 H ASP 6 H ASP 6 3.407 0.721 2.662 60 HA ASP 6 HA ASP 6 5.512 -0.726 1.286 61 HB2 ASP 6 HB2 ASP 6 6.416 1.384 1.893 62 HB3 ASP 6 HB3 ASP 6 5.778 1.280 3.518 63 H LEU 7 H LEU 7 4.712 -2.541 1.548 64 HA LEU 7 HA LEU 7 3.545 -3.632 3.911 65 HB2 LEU 7 HB2 LEU 7 4.086 -4.663 1.156 66 HB3 LEU 7 HB3 LEU 7 3.440 -5.678 2.417 67 HG LEU 7 HG LEU 7 1.413 -4.219 2.509 68 HD11 LEU 7 HD11 LEU 7 0.954 -2.610 0.823 69 HD12 LEU 7 HD12 LEU 7 2.514 -2.882 0.058 70 HD13 LEU 7 HD13 LEU 7 2.437 -2.126 1.651 71 HD21 LEU 7 HD21 LEU 7 1.438 -6.207 1.169 72 HD22 LEU 7 HD22 LEU 7 2.121 -5.299 -0.180 73 HD23 LEU 7 HD23 LEU 7 0.498 -4.928 0.396 74 H ASN 8 H ASN 8 6.546 -3.920 2.159 75 HA ASN 8 HA ASN 8 7.380 -6.084 3.939 76 HB2 ASN 8 HB2 ASN 8 9.366 -6.354 2.567 77 HB3 ASN 8 HB3 ASN 8 7.971 -6.272 1.512 78 HD21 ASN 8 HD21 ASN 8 10.621 -5.840 0.790 79 HD22 ASN 8 HD22 ASN 8 10.818 -4.204 0.275 80 H ASP 9 H ASP 9 7.256 -2.895 4.098 81 HA ASP 9 HA ASP 9 8.073 -1.300 5.409 82 HB2 ASP 9 HB2 ASP 9 7.282 -2.751 7.227 83 HB3 ASP 9 HB3 ASP 9 8.804 -3.632 7.173 84 H ASP 10 H ASP 10 9.514 -1.109 3.588 85 HA ASP 10 HA ASP 10 12.250 -1.169 4.599 86 HB2 ASP 10 HB2 ASP 10 13.182 -1.565 2.359 87 HB3 ASP 10 HB3 ASP 10 12.072 -2.829 2.858 88 H GLY 11 H GLY 11 9.823 0.780 3.964 89 HA2 GLY 11 HA2 GLY 11 9.993 3.082 4.390 90 HA3 GLY 11 HA3 GLY 11 11.679 3.032 3.889 91 H VAL 12 H VAL 12 9.767 1.482 1.651 92 HA VAL 12 HA VAL 12 9.089 3.900 0.217 93 HB VAL 12 HB VAL 12 11.465 3.740 -0.232 94 HG11 VAL 12 HG11 VAL 12 12.487 1.823 -1.360 95 HG12 VAL 12 HG12 VAL 12 10.953 0.949 -1.230 96 HG13 VAL 12 HG13 VAL 12 11.820 1.432 0.229 97 HG21 VAL 12 HG21 VAL 12 10.067 4.507 -2.071 98 HG22 VAL 12 HG22 VAL 12 9.890 2.845 -2.632 99 HG23 VAL 12 HG23 VAL 12 11.471 3.627 -2.675 100 H VAL 13 H VAL 13 7.606 3.565 -1.469 101 HA VAL 13 HA VAL 13 6.356 1.030 -1.595 102 HB VAL 13 HB VAL 13 4.910 2.182 -3.339 103 HG11 VAL 13 HG11 VAL 13 4.230 2.136 -1.003 104 HG12 VAL 13 HG12 VAL 13 3.789 3.683 -1.709 105 HG13 VAL 13 HG13 VAL 13 5.204 3.560 -0.668 106 HG21 VAL 13 HG21 VAL 13 6.544 3.845 -4.143 107 HG22 VAL 13 HG22 VAL 13 6.515 4.641 -2.571 108 HG23 VAL 13 HG23 VAL 13 5.073 4.634 -3.581 109 H ASN 14 H ASN 14 7.456 -0.514 -2.554 110 HA ASN 14 HA ASN 14 8.532 0.030 -5.186 111 HB2 ASN 14 HB2 ASN 14 10.500 -1.415 -4.755 112 HB3 ASN 14 HB3 ASN 14 10.535 0.038 -3.811 113 HD21 ASN 14 HD21 ASN 14 12.054 -2.154 -3.349 114 HD22 ASN 14 HD22 ASN 14 11.622 -2.732 -1.782 115 H GLY 15 H GLY 15 9.233 -2.166 -6.231 116 HA2 GLY 15 HA2 GLY 15 6.813 -3.487 -6.795 117 HA3 GLY 15 HA3 GLY 15 8.359 -4.015 -7.331 118 H ARG 16 H ARG 16 9.144 -4.113 -4.370 119 HA ARG 16 HA ARG 16 8.738 -6.886 -3.933 120 HB2 ARG 16 HB2 ARG 16 9.380 -4.842 -1.827 121 HB3 ARG 16 HB3 ARG 16 9.692 -6.564 -1.752 122 HG2 ARG 16 HG2 ARG 16 10.932 -4.666 -3.672 123 HG3 ARG 16 HG3 ARG 16 11.692 -5.195 -2.164 124 HD2 ARG 16 HD2 ARG 16 11.608 -7.515 -3.057 125 HD3 ARG 16 HD3 ARG 16 10.965 -6.855 -4.568 126 HE ARG 16 HE ARG 16 13.466 -5.818 -3.522 127 HH11 ARG 16 HH11 ARG 16 11.842 -7.741 -6.048 128 HH12 ARG 16 HH12 ARG 16 13.165 -7.685 -7.114 129 HH21 ARG 16 HH21 ARG 16 15.252 -5.767 -5.004 130 HH22 ARG 16 HH22 ARG 16 15.155 -6.549 -6.504 131 H ASP 17 H ASP 17 7.042 -3.973 -2.964 132 HA ASP 17 HA ASP 17 5.512 -5.096 -0.868 133 HB2 ASP 17 HB2 ASP 17 5.005 -2.671 -2.581 134 HB3 ASP 17 HB3 ASP 17 4.114 -3.078 -1.124 135 H ILE 18 H ILE 18 5.023 -4.549 -4.284 136 HA ILE 18 HA ILE 18 2.457 -5.426 -4.659 137 HB ILE 18 HB ILE 18 4.922 -5.644 -6.400 138 HG12 ILE 18 HG12 ILE 18 3.826 -4.018 -7.800 139 HG13 ILE 18 HG13 ILE 18 2.397 -4.044 -6.740 140 HG21 ILE 18 HG21 ILE 18 2.168 -6.505 -7.267 141 HG22 ILE 18 HG22 ILE 18 3.568 -7.549 -7.041 142 HG23 ILE 18 HG23 ILE 18 3.574 -6.335 -8.322 143 HD11 ILE 18 HD11 ILE 18 3.755 -3.091 -4.988 144 HD12 ILE 18 HD12 ILE 18 3.727 -2.073 -6.433 145 HD13 ILE 18 HD13 ILE 18 5.144 -3.066 -6.060 146 H VAL 19 H VAL 19 5.385 -7.300 -4.457 147 HA VAL 19 HA VAL 19 4.370 -9.923 -4.856 148 HB VAL 19 HB VAL 19 6.588 -9.193 -2.949 149 HG11 VAL 19 HG11 VAL 19 6.129 -11.674 -4.591 150 HG12 VAL 19 HG12 VAL 19 5.900 -11.510 -2.854 151 HG13 VAL 19 HG13 VAL 19 7.516 -11.376 -3.544 152 HG21 VAL 19 HG21 VAL 19 6.997 -8.030 -5.010 153 HG22 VAL 19 HG22 VAL 19 6.773 -9.511 -5.943 154 HG23 VAL 19 HG23 VAL 19 8.152 -9.353 -4.835 155 H MET 20 H MET 20 4.960 -8.170 -1.895 156 HA MET 20 HA MET 20 4.054 -10.075 -0.035 157 HB2 MET 20 HB2 MET 20 3.812 -7.088 0.328 158 HB3 MET 20 HB3 MET 20 4.015 -8.348 1.544 159 HG2 MET 20 HG2 MET 20 6.088 -7.690 -0.521 160 HG3 MET 20 HG3 MET 20 6.058 -6.937 1.051 161 HE1 MET 20 HE1 MET 20 6.969 -9.855 3.441 162 HE2 MET 20 HE2 MET 20 5.405 -9.111 3.109 163 HE3 MET 20 HE3 MET 20 6.845 -8.107 3.257 164 H MET 21 H MET 21 2.396 -7.438 -1.636 165 HA MET 21 HA MET 21 -0.165 -7.383 -0.563 166 HB2 MET 21 HB2 MET 21 0.871 -5.871 -2.311 167 HB3 MET 21 HB3 MET 21 0.637 -7.193 -3.441 168 HG2 MET 21 HG2 MET 21 -1.022 -5.712 -3.930 169 HG3 MET 21 HG3 MET 21 -1.898 -6.906 -3.008 170 HE1 MET 21 HE1 MET 21 -1.257 -5.920 0.097 171 HE2 MET 21 HE2 MET 21 -2.882 -6.295 -0.492 172 HE3 MET 21 HE3 MET 21 -2.543 -4.741 0.286 173 H ARG 22 H ARG 22 1.021 -9.048 -3.373 174 HA ARG 22 HA ARG 22 -1.306 -10.447 -4.055 175 HB2 ARG 22 HB2 ARG 22 1.562 -10.687 -4.827 176 HB3 ARG 22 HB3 ARG 22 0.297 -11.700 -5.522 177 HG2 ARG 22 HG2 ARG 22 -0.727 -9.892 -6.547 178 HG3 ARG 22 HG3 ARG 22 0.115 -8.718 -5.538 179 HD2 ARG 22 HD2 ARG 22 1.018 -8.875 -7.871 180 HD3 ARG 22 HD3 ARG 22 2.184 -9.186 -6.605 181 HE ARG 22 HE ARG 22 1.506 -11.594 -7.035 182 HH11 ARG 22 HH11 ARG 22 1.795 -9.134 -9.568 183 HH12 ARG 22 HH12 ARG 22 2.490 -10.191 -10.716 184 HH21 ARG 22 HH21 ARG 22 2.462 -13.050 -8.656 185 HH22 ARG 22 HH22 ARG 22 2.870 -12.445 -10.191 186 H GLN 23 H GLN 23 1.469 -11.311 -2.043 187 HA GLN 23 HA GLN 23 1.011 -14.055 -1.867 188 HB2 GLN 23 HB2 GLN 23 1.971 -12.192 0.251 189 HB3 GLN 23 HB3 GLN 23 2.172 -13.935 0.261 190 HG2 GLN 23 HG2 GLN 23 3.433 -11.977 -1.624 191 HG3 GLN 23 HG3 GLN 23 4.218 -12.786 -0.300 192 HE21 GLN 23 HE21 GLN 23 5.718 -13.840 -1.473 193 HE22 GLN 23 HE22 GLN 23 5.343 -15.134 -2.559 194 H TYR 24 H TYR 24 0.027 -11.430 0.320 195 HA TYR 24 HA TYR 24 -1.479 -13.075 2.006 196 HB2 TYR 24 HB2 TYR 24 -0.528 -10.876 2.535 197 HB3 TYR 24 HB3 TYR 24 -1.716 -10.098 1.553 198 HD1 TYR 24 HD1 TYR 24 -4.062 -10.004 2.204 199 HD2 TYR 24 HD2 TYR 24 -1.191 -11.871 4.716 200 HE1 TYR 24 HE1 TYR 24 -5.667 -9.988 4.004 201 HE2 TYR 24 HE2 TYR 24 -2.807 -11.860 6.570 202 HH TYR 24 HH TYR 24 -4.819 -10.716 7.262 203 H LEU 25 H LEU 25 -2.330 -11.010 -0.609 204 HA LEU 25 HA LEU 25 -5.142 -11.387 -0.672 205 HB2 LEU 25 HB2 LEU 25 -3.315 -10.872 -3.012 206 HB3 LEU 25 HB3 LEU 25 -5.058 -10.861 -3.113 207 HG LEU 25 HG LEU 25 -3.390 -8.973 -1.473 208 HD11 LEU 25 HD11 LEU 25 -4.861 -8.579 -4.079 209 HD12 LEU 25 HD12 LEU 25 -3.110 -8.598 -3.857 210 HD13 LEU 25 HD13 LEU 25 -4.081 -7.304 -3.146 211 HD21 LEU 25 HD21 LEU 25 -5.478 -7.685 -1.243 212 HD22 LEU 25 HD22 LEU 25 -5.605 -9.272 -0.481 213 HD23 LEU 25 HD23 LEU 25 -6.360 -8.976 -2.051 214 H ALA 26 H ALA 26 -2.600 -13.412 -2.010 215 HA ALA 26 HA ALA 26 -4.373 -15.139 -3.455 216 HB1 ALA 26 HB1 ALA 26 -1.574 -15.705 -2.495 217 HB2 ALA 26 HB2 ALA 26 -1.977 -14.925 -4.019 218 HB3 ALA 26 HB3 ALA 26 -2.457 -16.602 -3.734 219 H GLY 27 H GLY 27 -3.390 -14.870 -0.206 220 HA2 GLY 27 HA2 GLY 27 -4.764 -15.995 1.415 221 HA3 GLY 27 HA3 GLY 27 -4.686 -17.393 0.346 222 H LYS 28 H LYS 28 -1.699 -15.749 0.558 223 HA LYS 28 HA LYS 28 -0.677 -17.945 2.147 224 HB2 LYS 28 HB2 LYS 28 1.017 -15.698 0.958 225 HB3 LYS 28 HB3 LYS 28 1.526 -17.226 1.604 226 HG2 LYS 28 HG2 LYS 28 0.381 -18.368 -0.251 227 HG3 LYS 28 HG3 LYS 28 0.009 -16.756 -0.909 228 HD2 LYS 28 HD2 LYS 28 2.346 -16.211 -0.993 229 HD3 LYS 28 HD3 LYS 28 2.789 -17.782 -0.316 230 HE2 LYS 28 HE2 LYS 28 3.151 -17.824 -2.687 231 HE3 LYS 28 HE3 LYS 28 1.744 -18.827 -2.345 232 HZ1 LYS 28 HZ1 LYS 28 1.465 -17.367 -4.262 233 HZ2 LYS 28 HZ2 LYS 28 1.664 -16.022 -3.281 234 HZ3 LYS 28 HZ3 LYS 28 0.313 -17.064 -3.067 235 H THR 29 H THR 29 0.558 -17.640 3.959 236 HA THR 29 HA THR 29 -0.058 -15.217 5.465 237 HB THR 29 HB THR 29 1.170 -17.820 6.458 238 HG1 THR 29 HG1 THR 29 -1.044 -17.955 5.577 239 HG21 THR 29 HG21 THR 29 -0.176 -15.534 7.919 240 HG22 THR 29 HG22 THR 29 1.558 -15.837 7.887 241 HG23 THR 29 HG23 THR 29 0.477 -16.992 8.668 242 H VAL 30 H VAL 30 1.446 -13.707 5.157 243 HA VAL 30 HA VAL 30 4.053 -14.472 4.171 244 HB VAL 30 HB VAL 30 3.221 -11.645 4.598 245 HG11 VAL 30 HG11 VAL 30 4.766 -12.998 2.400 246 HG12 VAL 30 HG12 VAL 30 5.423 -11.988 3.691 247 HG13 VAL 30 HG13 VAL 30 4.384 -11.286 2.445 248 HG21 VAL 30 HG21 VAL 30 2.023 -11.586 2.435 249 HG22 VAL 30 HG22 VAL 30 1.205 -12.558 3.653 250 HG23 VAL 30 HG23 VAL 30 2.119 -13.346 2.365 251 H SER 31 H SER 31 5.509 -14.889 5.690 252 HA SER 31 HA SER 31 5.489 -13.708 8.283 253 HB2 SER 31 HB2 SER 31 6.306 -16.041 7.741 254 HB3 SER 31 HB3 SER 31 7.666 -15.311 6.900 255 HG SER 31 HG SER 31 7.411 -14.311 9.410 256 H GLY 32 H GLY 32 6.257 -11.691 8.667 257 HA2 GLY 32 HA2 GLY 32 8.000 -10.104 8.680 258 HA3 GLY 32 HA3 GLY 32 8.609 -10.791 7.183 259 H ILE 33 H ILE 33 5.231 -10.197 7.335 260 HA ILE 33 HA ILE 33 5.596 -7.880 5.589 261 HB ILE 33 HB ILE 33 4.209 -9.888 4.788 262 HG12 ILE 33 HG12 ILE 33 2.674 -7.297 5.002 263 HG13 ILE 33 HG13 ILE 33 3.970 -7.560 3.867 264 HG21 ILE 33 HG21 ILE 33 1.896 -10.104 5.615 265 HG22 ILE 33 HG22 ILE 33 2.237 -8.917 6.866 266 HG23 ILE 33 HG23 ILE 33 3.083 -10.467 6.871 267 HD11 ILE 33 HD11 ILE 33 1.342 -9.068 3.959 268 HD12 ILE 33 HD12 ILE 33 2.667 -9.463 2.887 269 HD13 ILE 33 HD13 ILE 33 1.847 -7.915 2.721 270 H ASP 34 H ASP 34 4.526 -5.924 6.145 271 HA ASP 34 HA ASP 34 3.490 -5.902 8.877 272 HB2 ASP 34 HB2 ASP 34 4.867 -3.808 8.004 273 HB3 ASP 34 HB3 ASP 34 3.486 -3.572 6.989 274 H LYS 35 H LYS 35 1.563 -6.728 8.952 275 HA LYS 35 HA LYS 35 -0.031 -7.047 6.692 276 HB2 LYS 35 HB2 LYS 35 0.007 -8.472 8.780 277 HB3 LYS 35 HB3 LYS 35 -1.028 -7.246 9.506 278 HG2 LYS 35 HG2 LYS 35 -2.649 -7.624 7.614 279 HG3 LYS 35 HG3 LYS 35 -1.631 -8.941 7.099 280 HD2 LYS 35 HD2 LYS 35 -3.473 -9.806 8.400 281 HD3 LYS 35 HD3 LYS 35 -1.954 -10.088 9.247 282 HE2 LYS 35 HE2 LYS 35 -2.396 -8.151 10.677 283 HE3 LYS 35 HE3 LYS 35 -3.903 -7.848 9.818 284 HZ1 LYS 35 HZ1 LYS 35 -4.751 -9.944 10.620 285 HZ2 LYS 35 HZ2 LYS 35 -4.210 -9.026 11.937 286 HZ3 LYS 35 HZ3 LYS 35 -3.288 -10.300 11.367 287 H ASN 36 H ASN 36 0.194 -4.431 8.949 288 HA ASN 36 HA ASN 36 -2.433 -3.387 8.641 289 HB2 ASN 36 HB2 ASN 36 0.024 -1.855 9.496 290 HB3 ASN 36 HB3 ASN 36 -1.655 -1.506 9.861 291 HD21 ASN 36 HD21 ASN 36 1.170 -3.129 10.764 292 HD22 ASN 36 HD22 ASN 36 0.569 -3.858 12.207 293 H ALA 37 H ALA 37 0.575 -3.230 6.852 294 HA ALA 37 HA ALA 37 0.073 -0.647 5.706 295 HB1 ALA 37 HB1 ALA 37 2.327 -1.388 6.244 296 HB2 ALA 37 HB2 ALA 37 2.163 -1.021 4.525 297 HB3 ALA 37 HB3 ALA 37 2.169 -2.699 5.083 298 H LEU 38 H LEU 38 -1.147 -3.596 5.129 299 HA LEU 38 HA LEU 38 -1.071 -3.577 2.261 300 HB2 LEU 38 HB2 LEU 38 -2.540 -5.339 4.199 301 HB3 LEU 38 HB3 LEU 38 -2.799 -5.430 2.476 302 HG LEU 38 HG LEU 38 -0.403 -6.001 2.190 303 HD11 LEU 38 HD11 LEU 38 0.528 -5.093 4.126 304 HD12 LEU 38 HD12 LEU 38 0.737 -6.860 4.156 305 HD13 LEU 38 HD13 LEU 38 -0.524 -6.080 5.127 306 HD21 LEU 38 HD21 LEU 38 -0.630 -8.264 3.027 307 HD22 LEU 38 HD22 LEU 38 -2.067 -7.697 2.179 308 HD23 LEU 38 HD23 LEU 38 -2.048 -7.764 3.946 309 H ASP 39 H ASP 39 -3.197 -2.378 4.708 310 HA ASP 39 HA ASP 39 -5.280 -2.049 2.727 311 HB2 ASP 39 HB2 ASP 39 -5.970 -2.744 4.946 312 HB3 ASP 39 HB3 ASP 39 -5.209 -1.300 5.632 313 H ILE 40 H ILE 40 -4.173 -0.827 1.424 314 HA ILE 40 HA ILE 40 -2.877 1.548 2.195 315 HB ILE 40 HB ILE 40 -3.405 0.461 -0.595 316 HG12 ILE 40 HG12 ILE 40 -0.906 0.374 1.041 317 HG13 ILE 40 HG13 ILE 40 -2.082 -0.914 1.145 318 HG21 ILE 40 HG21 ILE 40 -2.892 2.866 -0.590 319 HG22 ILE 40 HG22 ILE 40 -1.561 1.925 -1.272 320 HG23 ILE 40 HG23 ILE 40 -1.446 2.561 0.372 321 HD11 ILE 40 HD11 ILE 40 -0.610 -0.053 -1.325 322 HD12 ILE 40 HD12 ILE 40 -1.805 -1.361 -1.218 323 HD13 ILE 40 HD13 ILE 40 -0.286 -1.490 -0.352 324 H ASN 41 H ASN 41 -5.982 0.833 0.702 325 HA ASN 41 HA ASN 41 -6.413 3.658 0.210 326 HB2 ASN 41 HB2 ASN 41 -8.465 3.084 -0.874 327 HB3 ASN 41 HB3 ASN 41 -7.316 1.834 -1.320 328 HD21 ASN 41 HD21 ASN 41 -10.132 1.755 -1.373 329 HD22 ASN 41 HD22 ASN 41 -10.648 0.465 -0.338 330 H GLY 42 H GLY 42 -6.551 1.757 2.852 331 HA2 GLY 42 HA2 GLY 42 -7.229 2.128 5.000 332 HA3 GLY 42 HA3 GLY 42 -7.640 3.755 4.507 333 H ASP 43 H ASP 43 -8.953 0.484 3.909 334 HA ASP 43 HA ASP 43 -11.582 1.600 4.615 335 HB2 ASP 43 HB2 ASP 43 -12.712 -0.148 3.204 336 HB3 ASP 43 HB3 ASP 43 -11.734 0.964 2.272 337 H GLY 44 H GLY 44 -9.201 -0.434 5.600 338 HA2 GLY 44 HA2 GLY 44 -9.298 -1.335 7.768 339 HA3 GLY 44 HA3 GLY 44 -11.031 -1.548 7.553 340 H ALA 45 H ALA 45 -9.929 -2.604 4.706 341 HA ALA 45 HA ALA 45 -9.315 -5.303 5.668 342 HB1 ALA 45 HB1 ALA 45 -10.881 -6.238 4.069 343 HB2 ALA 45 HB2 ALA 45 -11.319 -4.609 3.548 344 HB3 ALA 45 HB3 ALA 45 -11.713 -5.144 5.181 345 H VAL 46 H VAL 46 -8.157 -6.603 4.174 346 HA VAL 46 HA VAL 46 -6.586 -5.084 2.329 347 HB VAL 46 HB VAL 46 -6.390 -7.963 3.236 348 HG11 VAL 46 HG11 VAL 46 -5.381 -7.602 1.126 349 HG12 VAL 46 HG12 VAL 46 -4.111 -7.770 2.372 350 HG13 VAL 46 HG13 VAL 46 -4.562 -6.163 1.746 351 HG21 VAL 46 HG21 VAL 46 -6.063 -6.421 5.096 352 HG22 VAL 46 HG22 VAL 46 -4.854 -5.538 4.168 353 HG23 VAL 46 HG23 VAL 46 -4.547 -7.208 4.653 354 H ASN 47 H ASN 47 -7.437 -4.876 0.414 355 HA ASN 47 HA ASN 47 -8.594 -7.153 -0.938 356 HB2 ASN 47 HB2 ASN 47 -10.420 -5.508 -1.804 357 HB3 ASN 47 HB3 ASN 47 -10.623 -6.284 -0.238 358 HD21 ASN 47 HD21 ASN 47 -11.743 -4.843 0.865 359 HD22 ASN 47 HD22 ASN 47 -11.335 -3.193 1.133 360 H GLY 48 H GLY 48 -9.235 -6.330 -3.348 361 HA2 GLY 48 HA2 GLY 48 -6.724 -5.850 -4.510 362 HA3 GLY 48 HA3 GLY 48 -8.220 -5.921 -5.409 363 H ARG 49 H ARG 49 -9.129 -3.725 -3.484 364 HA ARG 49 HA ARG 49 -8.682 -1.410 -5.026 365 HB2 ARG 49 HB2 ARG 49 -9.345 -1.792 -2.141 366 HB3 ARG 49 HB3 ARG 49 -9.305 -0.212 -2.884 367 HG2 ARG 49 HG2 ARG 49 -11.036 -2.391 -3.975 368 HG3 ARG 49 HG3 ARG 49 -11.542 -1.397 -2.606 369 HD2 ARG 49 HD2 ARG 49 -12.423 -0.448 -4.677 370 HD3 ARG 49 HD3 ARG 49 -11.208 0.618 -3.987 371 HE ARG 49 HE ARG 49 -10.425 -1.246 -6.084 372 HH11 ARG 49 HH11 ARG 49 -11.007 2.119 -5.087 373 HH12 ARG 49 HH12 ARG 49 -10.291 2.818 -6.448 374 HH21 ARG 49 HH21 ARG 49 -9.404 -0.261 -7.988 375 HH22 ARG 49 HH22 ARG 49 -9.346 1.428 -8.130 376 H ASP 50 H ASP 50 -7.099 -2.716 -2.204 377 HA ASP 50 HA ASP 50 -5.275 -0.599 -1.747 378 HB2 ASP 50 HB2 ASP 50 -5.022 -3.499 -0.981 379 HB3 ASP 50 HB3 ASP 50 -4.165 -2.123 -0.287 380 H LEU 51 H LEU 51 -5.175 -3.630 -3.418 381 HA LEU 51 HA LEU 51 -2.491 -3.676 -4.234 382 HB2 LEU 51 HB2 LEU 51 -3.807 -5.646 -4.523 383 HB3 LEU 51 HB3 LEU 51 -4.986 -4.792 -5.484 384 HG LEU 51 HG LEU 51 -3.368 -4.622 -7.332 385 HD11 LEU 51 HD11 LEU 51 -1.268 -4.724 -5.986 386 HD12 LEU 51 HD12 LEU 51 -1.300 -5.857 -7.332 387 HD13 LEU 51 HD13 LEU 51 -1.592 -6.442 -5.702 388 HD21 LEU 51 HD21 LEU 51 -4.940 -6.440 -7.258 389 HD22 LEU 51 HD22 LEU 51 -3.810 -7.371 -6.255 390 HD23 LEU 51 HD23 LEU 51 -3.402 -6.997 -7.936 391 H MET 52 H MET 52 -5.337 -2.324 -5.746 392 HA MET 52 HA MET 52 -3.989 -1.314 -8.003 393 HB2 MET 52 HB2 MET 52 -6.612 -0.504 -6.790 394 HB3 MET 52 HB3 MET 52 -6.008 0.135 -8.319 395 HG2 MET 52 HG2 MET 52 -5.865 -2.300 -9.068 396 HG3 MET 52 HG3 MET 52 -6.817 -2.672 -7.633 397 HE1 MET 52 HE1 MET 52 -6.688 -1.022 -11.103 398 HE2 MET 52 HE2 MET 52 -6.949 0.406 -10.099 399 HE3 MET 52 HE3 MET 52 -8.206 -0.134 -11.214 400 H GLU 53 H GLU 53 -4.647 0.066 -4.861 401 HA GLU 53 HA GLU 53 -3.640 2.639 -5.436 402 HB2 GLU 53 HB2 GLU 53 -3.873 1.099 -2.877 403 HB3 GLU 53 HB3 GLU 53 -3.257 2.741 -2.926 404 HG2 GLU 53 HG2 GLU 53 -6.010 1.804 -3.712 405 HG3 GLU 53 HG3 GLU 53 -5.594 2.767 -2.294 406 H LEU 54 H LEU 54 -2.184 -0.326 -4.279 407 HA LEU 54 HA LEU 54 0.353 0.634 -3.731 408 HB2 LEU 54 HB2 LEU 54 -0.596 -1.571 -3.100 409 HB3 LEU 54 HB3 LEU 54 -0.389 -2.081 -4.751 410 HG LEU 54 HG LEU 54 2.000 -1.975 -4.592 411 HD11 LEU 54 HD11 LEU 54 2.222 -0.019 -3.164 412 HD12 LEU 54 HD12 LEU 54 3.092 -1.381 -2.444 413 HD13 LEU 54 HD13 LEU 54 1.508 -0.905 -1.825 414 HD21 LEU 54 HD21 LEU 54 2.369 -3.672 -2.890 415 HD22 LEU 54 HD22 LEU 54 0.886 -3.984 -3.793 416 HD23 LEU 54 HD23 LEU 54 0.800 -3.305 -2.174 417 H ILE 55 H ILE 55 -0.937 -0.846 -6.621 418 HA ILE 55 HA ILE 55 1.292 -0.605 -8.388 419 HB ILE 55 HB ILE 55 -1.669 -0.356 -9.066 420 HG12 ILE 55 HG12 ILE 55 0.093 -2.831 -9.172 421 HG13 ILE 55 HG13 ILE 55 -1.053 -2.467 -7.892 422 HG21 ILE 55 HG21 ILE 55 -1.009 -1.046 -11.353 423 HG22 ILE 55 HG22 ILE 55 0.684 -1.018 -10.862 424 HG23 ILE 55 HG23 ILE 55 -0.249 0.475 -10.880 425 HD11 ILE 55 HD11 ILE 55 -1.939 -4.098 -9.483 426 HD12 ILE 55 HD12 ILE 55 -1.777 -2.925 -10.790 427 HD13 ILE 55 HD13 ILE 55 -2.900 -2.627 -9.462 428 H LYS 56 H LYS 56 -1.354 1.624 -7.791 429 HA LYS 56 HA LYS 56 -0.600 3.794 -9.312 430 HB2 LYS 56 HB2 LYS 56 -2.678 3.922 -8.336 431 HB3 LYS 56 HB3 LYS 56 -2.087 3.385 -6.783 432 HG2 LYS 56 HG2 LYS 56 -1.139 5.612 -6.378 433 HG3 LYS 56 HG3 LYS 56 -1.771 6.156 -7.949 434 HD2 LYS 56 HD2 LYS 56 -4.025 5.680 -7.246 435 HD3 LYS 56 HD3 LYS 56 -3.451 4.967 -5.746 436 HE2 LYS 56 HE2 LYS 56 -2.590 7.156 -5.065 437 HE3 LYS 56 HE3 LYS 56 -3.211 7.848 -6.567 438 HZ1 LYS 56 HZ1 LYS 56 -5.423 7.259 -5.925 439 HZ2 LYS 56 HZ2 LYS 56 -4.733 8.151 -4.656 440 HZ3 LYS 56 HZ3 LYS 56 -4.863 6.451 -4.556 441 H LYS 57 H LYS 57 0.419 3.041 -6.001 442 HA LYS 57 HA LYS 57 2.007 5.301 -5.487 443 HB2 LYS 57 HB2 LYS 57 2.269 2.493 -4.432 444 HB3 LYS 57 HB3 LYS 57 3.077 3.888 -3.741 445 HG2 LYS 57 HG2 LYS 57 0.107 3.334 -3.813 446 HG3 LYS 57 HG3 LYS 57 1.172 3.257 -2.412 447 HD2 LYS 57 HD2 LYS 57 0.477 5.736 -3.989 448 HD3 LYS 57 HD3 LYS 57 -0.185 5.292 -2.425 449 HE2 LYS 57 HE2 LYS 57 2.101 5.318 -1.454 450 HE3 LYS 57 HE3 LYS 57 2.717 5.889 -3.002 451 HZ1 LYS 57 HZ1 LYS 57 1.267 7.836 -2.762 452 HZ2 LYS 57 HZ2 LYS 57 2.436 7.737 -1.568 453 HZ3 LYS 57 HZ3 LYS 57 0.829 7.312 -1.215 454 H VAL 58 H VAL 58 3.004 2.050 -6.480 455 HA VAL 58 HA VAL 58 5.723 2.714 -6.823 456 HB VAL 58 HB VAL 58 4.046 0.414 -7.753 457 HG11 VAL 58 HG11 VAL 58 7.077 0.591 -7.494 458 HG12 VAL 58 HG12 VAL 58 6.192 0.470 -9.012 459 HG13 VAL 58 HG13 VAL 58 6.187 -0.883 -7.874 460 HG21 VAL 58 HG21 VAL 58 5.728 0.835 -5.303 461 HG22 VAL 58 HG22 VAL 58 5.032 -0.714 -5.742 462 HG23 VAL 58 HG23 VAL 58 3.976 0.664 -5.390 463 H SER 59 H SER 59 2.979 2.818 -8.950 464 HA SER 59 HA SER 59 4.385 2.974 -11.351 465 HB2 SER 59 HB2 SER 59 1.669 4.127 -10.681 466 HB3 SER 59 HB3 SER 59 2.345 4.114 -12.311 467 HG SER 59 HG SER 59 1.933 1.850 -10.674 468 H ASN 60 H ASN 60 3.716 5.285 -8.846 469 HA ASN 60 HA ASN 60 4.553 7.535 -10.410 470 HB2 ASN 60 HB2 ASN 60 2.691 7.548 -8.699 471 HB3 ASN 60 HB3 ASN 60 3.949 7.407 -7.474 472 HD21 ASN 60 HD21 ASN 60 2.589 9.305 -9.906 473 HD22 ASN 60 HD22 ASN 60 3.283 10.824 -9.483 474 H ASN 61 H ASN 61 5.662 5.603 -7.609 475 HA ASN 61 HA ASN 61 8.282 6.917 -7.793 476 HB2 ASN 61 HB2 ASN 61 7.013 7.976 -6.047 477 HB3 ASN 61 HB3 ASN 61 6.554 6.423 -5.379 478 HD21 ASN 61 HD21 ASN 61 7.347 6.900 -3.420 479 HD22 ASN 61 HD22 ASN 61 9.020 7.015 -3.032 480 H THR 62 H THR 62 9.880 5.460 -7.995 481 HA THR 62 HA THR 62 11.271 3.727 -7.715 482 HB THR 62 HB THR 62 9.577 3.082 -5.274 483 HG1 THR 62 HG1 THR 62 10.358 5.279 -5.550 484 HG21 THR 62 HG21 THR 62 11.657 2.175 -4.328 485 HG22 THR 62 HG22 THR 62 12.539 2.626 -5.780 486 HG23 THR 62 HG23 THR 62 11.324 1.351 -5.854 487 H SER 63 H SER 63 11.535 1.263 -7.879 488 HA SER 63 HA SER 63 9.139 -0.245 -8.421 489 HB2 SER 63 HB2 SER 63 11.300 -0.032 -10.560 490 HB3 SER 63 HB3 SER 63 9.797 -0.944 -10.661 491 HG SER 63 HG SER 63 9.033 1.389 -10.061 Start of MODEL 5 1 H1 GLY -3 H1 GLY -3 11.104 9.184 12.957 2 H2 GLY -3 H2 GLY -3 9.982 9.691 14.126 3 H3 GLY -3 H3 GLY -3 9.635 8.365 13.145 4 HA2 GLY -3 HA3 GLY -3 11.420 7.128 14.130 5 HA3 GLY -3 HA2 GLY -3 11.785 8.511 15.157 6 H SER -2 H SER -2 10.188 5.634 14.942 7 HA SER -2 HA SER -2 8.821 4.462 16.263 8 HB2 SER -2 HB2 SER -2 8.997 6.785 18.210 9 HB3 SER -2 HB3 SER -2 8.469 5.144 18.586 10 HG SER -2 HG SER -2 10.668 4.535 17.763 11 H ALA -1 H ALA -1 6.582 4.644 17.533 12 HA ALA -1 HA ALA -1 4.428 5.019 17.551 13 HB1 ALA -1 HB1 ALA -1 4.858 7.691 16.212 14 HB2 ALA -1 HB2 ALA -1 5.021 7.423 17.942 15 HB3 ALA -1 HB3 ALA -1 3.457 7.193 17.166 16 H SER 0 H SER 0 4.095 3.364 16.324 17 HA SER 0 HA SER 0 3.210 2.115 14.718 18 HB2 SER 0 HB2 SER 0 1.459 3.838 14.400 19 HB3 SER 0 HB3 SER 0 2.511 4.711 13.291 20 HG SER 0 HG SER 0 0.838 3.230 12.413 21 H ASN 1 H ASN 1 4.236 0.893 13.343 22 HA ASN 1 HA ASN 1 6.379 2.139 11.775 23 HB2 ASN 1 HB2 ASN 1 7.467 -0.014 11.646 24 HB3 ASN 1 HB3 ASN 1 6.980 0.195 13.320 25 HD21 ASN 1 HD21 ASN 1 6.506 -1.560 10.410 26 HD22 ASN 1 HD22 ASN 1 5.443 -2.759 11.045 27 H THR 2 H THR 2 3.272 1.469 11.476 28 HA THR 2 HA THR 2 3.296 0.034 9.019 29 HB THR 2 HB THR 2 1.051 1.339 10.552 30 HG1 THR 2 HG1 THR 2 1.726 -1.422 10.222 31 HG21 THR 2 HG21 THR 2 0.987 -0.586 8.230 32 HG22 THR 2 HG22 THR 2 0.582 1.122 8.140 33 HG23 THR 2 HG23 THR 2 -0.437 0.024 9.087 34 H ILE 3 H ILE 3 3.646 0.918 7.222 35 HA ILE 3 HA ILE 3 2.887 3.665 6.714 36 HB ILE 3 HB ILE 3 5.199 3.749 6.815 37 HG12 ILE 3 HG12 ILE 3 4.613 3.239 3.874 38 HG13 ILE 3 HG13 ILE 3 4.443 4.771 4.713 39 HG21 ILE 3 HG21 ILE 3 6.745 2.079 5.705 40 HG22 ILE 3 HG22 ILE 3 5.308 1.033 5.580 41 HG23 ILE 3 HG23 ILE 3 5.869 1.573 7.146 42 HD11 ILE 3 HD11 ILE 3 6.458 4.717 3.329 43 HD12 ILE 3 HD12 ILE 3 7.055 3.323 4.229 44 HD13 ILE 3 HD13 ILE 3 6.859 4.877 5.035 45 H LEU 4 H LEU 4 1.156 3.572 5.447 46 HA LEU 4 HA LEU 4 0.311 1.274 4.119 47 HB2 LEU 4 HB2 LEU 4 -0.598 4.116 3.665 48 HB3 LEU 4 HB3 LEU 4 -1.434 2.651 3.197 49 HG LEU 4 HG LEU 4 -1.022 3.706 5.981 50 HD11 LEU 4 HD11 LEU 4 -3.448 3.741 6.060 51 HD12 LEU 4 HD12 LEU 4 -3.510 3.200 4.383 52 HD13 LEU 4 HD13 LEU 4 -2.808 4.768 4.779 53 HD21 LEU 4 HD21 LEU 4 -2.196 1.049 5.150 54 HD22 LEU 4 HD22 LEU 4 -2.232 1.733 6.779 55 HD23 LEU 4 HD23 LEU 4 -0.691 1.314 6.035 56 H GLY 5 H GLY 5 1.148 0.401 2.435 57 HA2 GLY 5 HA2 GLY 5 1.420 0.613 0.023 58 HA3 GLY 5 HA3 GLY 5 2.229 2.149 0.340 59 H ASP 6 H ASP 6 3.487 0.759 2.813 60 HA ASP 6 HA ASP 6 5.502 -0.685 1.302 61 HB2 ASP 6 HB2 ASP 6 6.401 1.444 1.967 62 HB3 ASP 6 HB3 ASP 6 5.859 1.218 3.618 63 H LEU 7 H LEU 7 4.791 -2.533 1.585 64 HA LEU 7 HA LEU 7 3.608 -3.574 3.971 65 HB2 LEU 7 HB2 LEU 7 4.180 -4.700 1.255 66 HB3 LEU 7 HB3 LEU 7 3.521 -5.678 2.539 67 HG LEU 7 HG LEU 7 1.479 -4.260 2.549 68 HD11 LEU 7 HD11 LEU 7 2.474 -2.160 1.710 69 HD12 LEU 7 HD12 LEU 7 1.037 -2.673 0.825 70 HD13 LEU 7 HD13 LEU 7 2.636 -2.913 0.121 71 HD21 LEU 7 HD21 LEU 7 2.265 -5.344 -0.118 72 HD22 LEU 7 HD22 LEU 7 0.627 -4.996 0.416 73 HD23 LEU 7 HD23 LEU 7 1.570 -6.258 1.217 74 H ASN 8 H ASN 8 6.592 -3.993 2.177 75 HA ASN 8 HA ASN 8 7.461 -6.090 4.009 76 HB2 ASN 8 HB2 ASN 8 9.396 -6.386 2.600 77 HB3 ASN 8 HB3 ASN 8 7.961 -6.367 1.598 78 HD21 ASN 8 HD21 ASN 8 10.552 -5.982 0.751 79 HD22 ASN 8 HD22 ASN 8 10.757 -4.354 0.174 80 H ASP 9 H ASP 9 7.423 -2.882 4.098 81 HA ASP 9 HA ASP 9 8.297 -1.316 5.370 82 HB2 ASP 9 HB2 ASP 9 7.646 -2.672 7.260 83 HB3 ASP 9 HB3 ASP 9 9.062 -3.692 7.070 84 H ASP 10 H ASP 10 9.613 -1.160 3.435 85 HA ASP 10 HA ASP 10 12.420 -1.222 4.233 86 HB2 ASP 10 HB2 ASP 10 13.169 -1.625 1.894 87 HB3 ASP 10 HB3 ASP 10 12.109 -2.895 2.492 88 H GLY 11 H GLY 11 9.948 0.711 3.852 89 HA2 GLY 11 HA2 GLY 11 10.030 2.983 4.292 90 HA3 GLY 11 HA3 GLY 11 11.710 3.014 3.765 91 H VAL 12 H VAL 12 9.824 1.458 1.514 92 HA VAL 12 HA VAL 12 9.123 3.887 0.118 93 HB VAL 12 HB VAL 12 11.482 3.716 -0.383 94 HG11 VAL 12 HG11 VAL 12 12.504 1.798 -1.498 95 HG12 VAL 12 HG12 VAL 12 10.986 0.904 -1.325 96 HG13 VAL 12 HG13 VAL 12 11.867 1.430 0.107 97 HG21 VAL 12 HG21 VAL 12 9.858 2.824 -2.760 98 HG22 VAL 12 HG22 VAL 12 11.469 3.538 -2.843 99 HG23 VAL 12 HG23 VAL 12 10.115 4.484 -2.224 100 H VAL 13 H VAL 13 7.421 3.586 -1.307 101 HA VAL 13 HA VAL 13 6.286 1.023 -1.551 102 HB VAL 13 HB VAL 13 4.662 2.163 -3.089 103 HG11 VAL 13 HG11 VAL 13 4.230 2.117 -0.699 104 HG12 VAL 13 HG12 VAL 13 3.656 3.639 -1.377 105 HG13 VAL 13 HG13 VAL 13 5.173 3.584 -0.476 106 HG21 VAL 13 HG21 VAL 13 6.036 3.849 -4.099 107 HG22 VAL 13 HG22 VAL 13 6.358 4.599 -2.548 108 HG23 VAL 13 HG23 VAL 13 4.740 4.680 -3.238 109 H ASN 14 H ASN 14 7.380 -0.427 -2.615 110 HA ASN 14 HA ASN 14 8.385 0.207 -5.279 111 HB2 ASN 14 HB2 ASN 14 10.381 -1.151 -4.906 112 HB3 ASN 14 HB3 ASN 14 10.357 0.207 -3.819 113 HD21 ASN 14 HD21 ASN 14 11.865 -2.023 -3.603 114 HD22 ASN 14 HD22 ASN 14 11.448 -2.751 -2.088 115 H GLY 15 H GLY 15 9.174 -1.987 -6.311 116 HA2 GLY 15 HA2 GLY 15 6.827 -3.420 -6.935 117 HA3 GLY 15 HA3 GLY 15 8.390 -3.917 -7.425 118 H ARG 16 H ARG 16 9.208 -4.030 -4.499 119 HA ARG 16 HA ARG 16 8.745 -6.781 -4.082 120 HB2 ARG 16 HB2 ARG 16 9.555 -4.744 -2.038 121 HB3 ARG 16 HB3 ARG 16 9.727 -6.480 -1.859 122 HG2 ARG 16 HG2 ARG 16 11.071 -4.802 -3.919 123 HG3 ARG 16 HG3 ARG 16 11.849 -5.368 -2.436 124 HD2 ARG 16 HD2 ARG 16 11.603 -7.661 -3.169 125 HD3 ARG 16 HD3 ARG 16 10.688 -7.143 -4.585 126 HE ARG 16 HE ARG 16 13.247 -5.931 -4.456 127 HH11 ARG 16 HH11 ARG 16 11.539 -8.837 -5.484 128 HH12 ARG 16 HH12 ARG 16 12.717 -9.309 -6.619 129 HH21 ARG 16 HH21 ARG 16 14.845 -6.549 -5.977 130 HH22 ARG 16 HH22 ARG 16 14.688 -7.971 -6.890 131 H ASP 17 H ASP 17 7.080 -3.898 -3.020 132 HA ASP 17 HA ASP 17 5.537 -5.052 -0.960 133 HB2 ASP 17 HB2 ASP 17 4.964 -2.651 -2.688 134 HB3 ASP 17 HB3 ASP 17 4.078 -3.091 -1.242 135 H ILE 18 H ILE 18 5.042 -4.534 -4.397 136 HA ILE 18 HA ILE 18 2.484 -5.428 -4.795 137 HB ILE 18 HB ILE 18 4.982 -5.673 -6.492 138 HG12 ILE 18 HG12 ILE 18 3.866 -4.105 -7.955 139 HG13 ILE 18 HG13 ILE 18 2.434 -4.135 -6.892 140 HG21 ILE 18 HG21 ILE 18 3.671 -7.619 -7.093 141 HG22 ILE 18 HG22 ILE 18 3.620 -6.437 -8.403 142 HG23 ILE 18 HG23 ILE 18 2.245 -6.616 -7.325 143 HD11 ILE 18 HD11 ILE 18 3.702 -3.087 -5.184 144 HD12 ILE 18 HD12 ILE 18 3.763 -2.137 -6.676 145 HD13 ILE 18 HD13 ILE 18 5.145 -3.119 -6.177 146 H VAL 19 H VAL 19 5.400 -7.299 -4.532 147 HA VAL 19 HA VAL 19 4.343 -9.882 -4.972 148 HB VAL 19 HB VAL 19 6.616 -9.246 -3.091 149 HG11 VAL 19 HG11 VAL 19 5.885 -11.578 -3.075 150 HG12 VAL 19 HG12 VAL 19 7.493 -11.423 -3.776 151 HG13 VAL 19 HG13 VAL 19 6.101 -11.662 -4.821 152 HG21 VAL 19 HG21 VAL 19 6.654 -9.424 -6.092 153 HG22 VAL 19 HG22 VAL 19 8.106 -9.414 -5.063 154 HG23 VAL 19 HG23 VAL 19 7.030 -8.018 -5.085 155 H MET 20 H MET 20 5.025 -8.169 -1.984 156 HA MET 20 HA MET 20 4.140 -10.061 -0.103 157 HB2 MET 20 HB2 MET 20 3.893 -7.070 0.241 158 HB3 MET 20 HB3 MET 20 4.112 -8.327 1.453 159 HG2 MET 20 HG2 MET 20 6.181 -7.707 -0.621 160 HG3 MET 20 HG3 MET 20 6.126 -6.867 0.906 161 HE1 MET 20 HE1 MET 20 5.439 -8.990 3.050 162 HE2 MET 20 HE2 MET 20 6.823 -7.912 3.193 163 HE3 MET 20 HE3 MET 20 7.021 -9.641 3.465 164 H MET 21 H MET 21 2.473 -7.395 -1.652 165 HA MET 21 HA MET 21 -0.065 -7.359 -0.533 166 HB2 MET 21 HB2 MET 21 0.910 -5.768 -2.186 167 HB3 MET 21 HB3 MET 21 0.769 -7.024 -3.397 168 HG2 MET 21 HG2 MET 21 -0.966 -5.640 -3.895 169 HG3 MET 21 HG3 MET 21 -1.798 -6.849 -2.935 170 HE1 MET 21 HE1 MET 21 -2.832 -6.301 -0.523 171 HE2 MET 21 HE2 MET 21 -2.565 -4.760 0.299 172 HE3 MET 21 HE3 MET 21 -1.236 -5.892 0.136 173 H ARG 22 H ARG 22 1.045 -8.975 -3.440 174 HA ARG 22 HA ARG 22 -1.317 -10.352 -4.023 175 HB2 ARG 22 HB2 ARG 22 1.504 -10.553 -4.973 176 HB3 ARG 22 HB3 ARG 22 0.256 -11.648 -5.586 177 HG2 ARG 22 HG2 ARG 22 -0.961 -9.758 -6.479 178 HG3 ARG 22 HG3 ARG 22 0.162 -8.636 -5.719 179 HD2 ARG 22 HD2 ARG 22 1.959 -9.386 -7.088 180 HD3 ARG 22 HD3 ARG 22 1.018 -10.682 -7.788 181 HE ARG 22 HE ARG 22 -0.305 -8.286 -8.323 182 HH11 ARG 22 HH11 ARG 22 2.689 -9.921 -9.255 183 HH12 ARG 22 HH12 ARG 22 2.963 -8.987 -10.636 184 HH21 ARG 22 HH21 ARG 22 0.002 -7.049 -10.285 185 HH22 ARG 22 HH22 ARG 22 1.341 -7.327 -11.289 186 H GLN 23 H GLN 23 1.484 -11.247 -2.067 187 HA GLN 23 HA GLN 23 1.062 -14.009 -1.887 188 HB2 GLN 23 HB2 GLN 23 2.053 -12.109 0.194 189 HB3 GLN 23 HB3 GLN 23 2.253 -13.852 0.253 190 HG2 GLN 23 HG2 GLN 23 3.471 -11.952 -1.721 191 HG3 GLN 23 HG3 GLN 23 4.287 -12.719 -0.389 192 HE21 GLN 23 HE21 GLN 23 2.972 -13.227 -3.553 193 HE22 GLN 23 HE22 GLN 23 3.626 -14.804 -3.771 194 H TYR 24 H TYR 24 0.085 -11.407 0.354 195 HA TYR 24 HA TYR 24 -1.390 -13.091 2.058 196 HB2 TYR 24 HB2 TYR 24 -0.424 -10.933 2.629 197 HB3 TYR 24 HB3 TYR 24 -1.589 -10.099 1.678 198 HD1 TYR 24 HD1 TYR 24 -3.949 -9.986 2.348 199 HD2 TYR 24 HD2 TYR 24 -1.068 -11.901 4.810 200 HE1 TYR 24 HE1 TYR 24 -5.505 -9.890 4.192 201 HE2 TYR 24 HE2 TYR 24 -2.637 -11.819 6.704 202 HH TYR 24 HH TYR 24 -5.920 -11.099 6.333 203 H LEU 25 H LEU 25 -2.293 -10.979 -0.492 204 HA LEU 25 HA LEU 25 -5.099 -11.349 -0.512 205 HB2 LEU 25 HB2 LEU 25 -3.284 -10.877 -2.871 206 HB3 LEU 25 HB3 LEU 25 -5.027 -10.896 -2.991 207 HG LEU 25 HG LEU 25 -3.446 -8.953 -1.317 208 HD11 LEU 25 HD11 LEU 25 -4.017 -7.317 -3.061 209 HD12 LEU 25 HD12 LEU 25 -4.752 -8.604 -4.016 210 HD13 LEU 25 HD13 LEU 25 -3.016 -8.623 -3.697 211 HD21 LEU 25 HD21 LEU 25 -5.556 -7.677 -1.252 212 HD22 LEU 25 HD22 LEU 25 -5.738 -9.255 -0.489 213 HD23 LEU 25 HD23 LEU 25 -6.365 -8.974 -2.116 214 H ALA 26 H ALA 26 -2.603 -13.385 -1.851 215 HA ALA 26 HA ALA 26 -4.385 -15.264 -3.112 216 HB1 ALA 26 HB1 ALA 26 -2.407 -16.630 -3.440 217 HB2 ALA 26 HB2 ALA 26 -1.499 -15.582 -2.346 218 HB3 ALA 26 HB3 ALA 26 -2.090 -14.950 -3.883 219 H GLY 27 H GLY 27 -3.904 -14.642 0.047 220 HA2 GLY 27 HA2 GLY 27 -4.856 -15.786 1.789 221 HA3 GLY 27 HA3 GLY 27 -4.917 -17.221 0.768 222 H LYS 28 H LYS 28 -1.868 -15.695 0.737 223 HA LYS 28 HA LYS 28 -0.811 -17.850 2.369 224 HB2 LYS 28 HB2 LYS 28 0.754 -15.649 0.955 225 HB3 LYS 28 HB3 LYS 28 1.375 -17.065 1.764 226 HG2 LYS 28 HG2 LYS 28 0.315 -18.487 0.040 227 HG3 LYS 28 HG3 LYS 28 -0.259 -16.996 -0.737 228 HD2 LYS 28 HD2 LYS 28 1.812 -17.837 -1.813 229 HD3 LYS 28 HD3 LYS 28 2.032 -16.245 -1.093 230 HE2 LYS 28 HE2 LYS 28 3.085 -17.327 0.900 231 HE3 LYS 28 HE3 LYS 28 2.894 -18.887 0.101 232 HZ1 LYS 28 HZ1 LYS 28 4.476 -16.637 -1.002 233 HZ2 LYS 28 HZ2 LYS 28 4.485 -18.254 -1.525 234 HZ3 LYS 28 HZ3 LYS 28 5.106 -17.837 -0.029 235 H THR 29 H THR 29 0.588 -17.432 4.094 236 HA THR 29 HA THR 29 0.095 -14.917 5.491 237 HB THR 29 HB THR 29 1.585 -17.351 6.525 238 HG1 THR 29 HG1 THR 29 -1.169 -16.635 6.567 239 HG21 THR 29 HG21 THR 29 1.979 -15.258 7.730 240 HG22 THR 29 HG22 THR 29 1.038 -16.364 8.732 241 HG23 THR 29 HG23 THR 29 0.242 -15.018 7.919 242 H VAL 30 H VAL 30 1.502 -13.441 5.056 243 HA VAL 30 HA VAL 30 4.043 -14.232 3.919 244 HB VAL 30 HB VAL 30 3.297 -11.400 4.500 245 HG11 VAL 30 HG11 VAL 30 4.748 -12.714 2.217 246 HG12 VAL 30 HG12 VAL 30 5.476 -11.808 3.548 247 HG13 VAL 30 HG13 VAL 30 4.462 -10.985 2.362 248 HG21 VAL 30 HG21 VAL 30 2.061 -11.243 2.351 249 HG22 VAL 30 HG22 VAL 30 1.254 -12.235 3.563 250 HG23 VAL 30 HG23 VAL 30 2.125 -13.004 2.238 251 H SER 31 H SER 31 5.500 -14.772 5.370 252 HA SER 31 HA SER 31 5.332 -13.874 8.054 253 HB2 SER 31 HB2 SER 31 7.475 -15.466 6.621 254 HB3 SER 31 HB3 SER 31 7.255 -15.346 8.376 255 HG SER 31 HG SER 31 6.335 -17.213 7.076 256 H GLY 32 H GLY 32 6.068 -11.941 8.707 257 HA2 GLY 32 HA2 GLY 32 7.734 -10.325 9.041 258 HA3 GLY 32 HA3 GLY 32 8.550 -10.908 7.599 259 H ILE 33 H ILE 33 5.103 -10.107 7.642 260 HA ILE 33 HA ILE 33 5.693 -7.839 5.870 261 HB ILE 33 HB ILE 33 4.352 -9.782 4.949 262 HG12 ILE 33 HG12 ILE 33 2.782 -7.200 5.085 263 HG13 ILE 33 HG13 ILE 33 4.136 -7.468 4.009 264 HG21 ILE 33 HG21 ILE 33 2.260 -8.853 6.937 265 HG22 ILE 33 HG22 ILE 33 3.066 -10.421 6.911 266 HG23 ILE 33 HG23 ILE 33 1.953 -9.978 5.616 267 HD11 ILE 33 HD11 ILE 33 2.045 -7.803 2.773 268 HD12 ILE 33 HD12 ILE 33 1.493 -8.958 3.974 269 HD13 ILE 33 HD13 ILE 33 2.856 -9.353 2.954 270 H ASP 34 H ASP 34 4.500 -5.854 6.318 271 HA ASP 34 HA ASP 34 3.352 -5.848 9.010 272 HB2 ASP 34 HB2 ASP 34 4.740 -3.759 8.050 273 HB3 ASP 34 HB3 ASP 34 3.266 -3.478 7.172 274 H LYS 35 H LYS 35 1.506 -6.858 8.908 275 HA LYS 35 HA LYS 35 -0.043 -7.224 6.636 276 HB2 LYS 35 HB2 LYS 35 0.028 -8.633 8.685 277 HB3 LYS 35 HB3 LYS 35 -0.954 -7.412 9.474 278 HG2 LYS 35 HG2 LYS 35 -2.720 -7.847 7.704 279 HG3 LYS 35 HG3 LYS 35 -1.703 -9.148 7.150 280 HD2 LYS 35 HD2 LYS 35 -3.422 -10.034 8.652 281 HD3 LYS 35 HD3 LYS 35 -1.801 -10.275 9.301 282 HE2 LYS 35 HE2 LYS 35 -2.126 -8.296 10.775 283 HE3 LYS 35 HE3 LYS 35 -3.753 -8.118 10.124 284 HZ1 LYS 35 HZ1 LYS 35 -4.312 -10.260 11.058 285 HZ2 LYS 35 HZ2 LYS 35 -3.718 -9.260 12.253 286 HZ3 LYS 35 HZ3 LYS 35 -2.740 -10.472 11.621 287 H ASN 36 H ASN 36 0.041 -4.524 8.735 288 HA ASN 36 HA ASN 36 -2.686 -3.676 8.334 289 HB2 ASN 36 HB2 ASN 36 -0.432 -2.145 9.608 290 HB3 ASN 36 HB3 ASN 36 -2.160 -1.951 9.858 291 HD21 ASN 36 HD21 ASN 36 0.671 -3.650 10.657 292 HD22 ASN 36 HD22 ASN 36 0.027 -4.593 11.960 293 H ALA 37 H ALA 37 0.463 -3.296 6.907 294 HA ALA 37 HA ALA 37 -0.014 -0.670 5.811 295 HB1 ALA 37 HB1 ALA 37 2.156 -0.956 4.733 296 HB2 ALA 37 HB2 ALA 37 2.192 -2.643 5.239 297 HB3 ALA 37 HB3 ALA 37 2.251 -1.357 6.446 298 H LEU 38 H LEU 38 -1.098 -3.642 5.100 299 HA LEU 38 HA LEU 38 -0.976 -3.564 2.239 300 HB2 LEU 38 HB2 LEU 38 -2.485 -5.340 4.136 301 HB3 LEU 38 HB3 LEU 38 -2.705 -5.427 2.407 302 HG LEU 38 HG LEU 38 -0.309 -6.001 2.181 303 HD11 LEU 38 HD11 LEU 38 0.549 -5.106 4.173 304 HD12 LEU 38 HD12 LEU 38 0.792 -6.864 4.173 305 HD13 LEU 38 HD13 LEU 38 -0.514 -6.129 5.121 306 HD21 LEU 38 HD21 LEU 38 -2.043 -7.757 3.859 307 HD22 LEU 38 HD22 LEU 38 -0.604 -8.276 2.979 308 HD23 LEU 38 HD23 LEU 38 -2.007 -7.664 2.101 309 H ASP 39 H ASP 39 -3.115 -2.398 4.691 310 HA ASP 39 HA ASP 39 -5.173 -1.976 2.718 311 HB2 ASP 39 HB2 ASP 39 -5.913 -2.681 4.894 312 HB3 ASP 39 HB3 ASP 39 -5.089 -1.335 5.668 313 H ILE 40 H ILE 40 -3.992 -0.829 1.451 314 HA ILE 40 HA ILE 40 -2.569 1.521 2.131 315 HB ILE 40 HB ILE 40 -3.278 0.432 -0.610 316 HG12 ILE 40 HG12 ILE 40 -0.782 0.068 1.002 317 HG13 ILE 40 HG13 ILE 40 -2.092 -1.097 1.040 318 HG21 ILE 40 HG21 ILE 40 -1.319 1.707 -1.353 319 HG22 ILE 40 HG22 ILE 40 -1.079 2.314 0.290 320 HG23 ILE 40 HG23 ILE 40 -2.522 2.774 -0.620 321 HD11 ILE 40 HD11 ILE 40 -0.351 -1.819 -0.457 322 HD12 ILE 40 HD12 ILE 40 -0.482 -0.302 -1.361 323 HD13 ILE 40 HD13 ILE 40 -1.825 -1.454 -1.342 324 H ASN 41 H ASN 41 -5.729 0.857 0.766 325 HA ASN 41 HA ASN 41 -6.075 3.664 0.125 326 HB2 ASN 41 HB2 ASN 41 -8.176 3.116 -0.852 327 HB3 ASN 41 HB3 ASN 41 -7.102 1.789 -1.265 328 HD21 ASN 41 HD21 ASN 41 -9.907 1.809 -1.263 329 HD22 ASN 41 HD22 ASN 41 -10.446 0.609 -0.123 330 H GLY 42 H GLY 42 -6.350 1.810 2.852 331 HA2 GLY 42 HA2 GLY 42 -7.027 2.309 4.968 332 HA3 GLY 42 HA3 GLY 42 -7.388 3.936 4.411 333 H ASP 43 H ASP 43 -8.736 0.673 3.896 334 HA ASP 43 HA ASP 43 -11.353 1.829 4.585 335 HB2 ASP 43 HB2 ASP 43 -12.521 0.095 3.217 336 HB3 ASP 43 HB3 ASP 43 -11.505 1.140 2.241 337 H GLY 44 H GLY 44 -9.006 -0.353 5.497 338 HA2 GLY 44 HA2 GLY 44 -9.054 -1.225 7.701 339 HA3 GLY 44 HA3 GLY 44 -10.794 -1.403 7.551 340 H ALA 45 H ALA 45 -9.877 -2.499 4.681 341 HA ALA 45 HA ALA 45 -9.277 -5.205 5.658 342 HB1 ALA 45 HB1 ALA 45 -11.252 -4.451 3.513 343 HB2 ALA 45 HB2 ALA 45 -11.650 -5.036 5.131 344 HB3 ALA 45 HB3 ALA 45 -10.824 -6.097 3.987 345 H VAL 46 H VAL 46 -8.163 -6.545 4.105 346 HA VAL 46 HA VAL 46 -6.495 -5.020 2.344 347 HB VAL 46 HB VAL 46 -6.386 -7.900 3.278 348 HG11 VAL 46 HG11 VAL 46 -4.096 -7.797 2.461 349 HG12 VAL 46 HG12 VAL 46 -4.473 -6.186 1.789 350 HG13 VAL 46 HG13 VAL 46 -5.324 -7.624 1.187 351 HG21 VAL 46 HG21 VAL 46 -4.542 -7.169 4.713 352 HG22 VAL 46 HG22 VAL 46 -6.044 -6.337 5.123 353 HG23 VAL 46 HG23 VAL 46 -4.800 -5.502 4.196 354 H ASN 47 H ASN 47 -7.349 -4.769 0.423 355 HA ASN 47 HA ASN 47 -8.576 -7.022 -0.925 356 HB2 ASN 47 HB2 ASN 47 -10.386 -5.349 -1.752 357 HB3 ASN 47 HB3 ASN 47 -10.559 -6.091 -0.164 358 HD21 ASN 47 HD21 ASN 47 -11.652 -4.600 0.852 359 HD22 ASN 47 HD22 ASN 47 -11.203 -2.954 1.111 360 H GLY 48 H GLY 48 -9.271 -6.181 -3.287 361 HA2 GLY 48 HA2 GLY 48 -6.796 -5.752 -4.573 362 HA3 GLY 48 HA3 GLY 48 -8.324 -5.819 -5.410 363 H ARG 49 H ARG 49 -9.118 -3.609 -3.395 364 HA ARG 49 HA ARG 49 -8.742 -1.331 -5.014 365 HB2 ARG 49 HB2 ARG 49 -9.171 -1.528 -2.052 366 HB3 ARG 49 HB3 ARG 49 -9.349 -0.055 -2.966 367 HG2 ARG 49 HG2 ARG 49 -11.028 -2.498 -3.401 368 HG3 ARG 49 HG3 ARG 49 -11.482 -1.195 -2.312 369 HD2 ARG 49 HD2 ARG 49 -12.616 -0.677 -4.327 370 HD3 ARG 49 HD3 ARG 49 -11.160 0.318 -4.380 371 HE ARG 49 HE ARG 49 -11.324 -2.269 -5.740 372 HH11 ARG 49 HH11 ARG 49 -10.551 1.187 -5.863 373 HH12 ARG 49 HH12 ARG 49 -10.012 1.147 -7.463 374 HH21 ARG 49 HH21 ARG 49 -10.651 -2.315 -7.908 375 HH22 ARG 49 HH22 ARG 49 -10.069 -0.918 -8.691 376 H ASP 50 H ASP 50 -7.090 -2.613 -2.180 377 HA ASP 50 HA ASP 50 -5.233 -0.523 -1.783 378 HB2 ASP 50 HB2 ASP 50 -5.009 -3.422 -1.015 379 HB3 ASP 50 HB3 ASP 50 -4.092 -2.074 -0.354 380 H LEU 51 H LEU 51 -5.191 -3.596 -3.375 381 HA LEU 51 HA LEU 51 -2.554 -3.687 -4.262 382 HB2 LEU 51 HB2 LEU 51 -3.962 -5.619 -4.431 383 HB3 LEU 51 HB3 LEU 51 -5.106 -4.763 -5.429 384 HG LEU 51 HG LEU 51 -3.577 -4.847 -7.324 385 HD11 LEU 51 HD11 LEU 51 -1.467 -6.044 -7.246 386 HD12 LEU 51 HD12 LEU 51 -1.726 -6.447 -5.562 387 HD13 LEU 51 HD13 LEU 51 -1.430 -4.766 -6.026 388 HD21 LEU 51 HD21 LEU 51 -5.116 -6.693 -6.950 389 HD22 LEU 51 HD22 LEU 51 -3.904 -7.488 -5.941 390 HD23 LEU 51 HD23 LEU 51 -3.607 -7.277 -7.663 391 H MET 52 H MET 52 -5.404 -2.260 -5.757 392 HA MET 52 HA MET 52 -3.983 -1.266 -8.000 393 HB2 MET 52 HB2 MET 52 -6.695 -0.528 -6.932 394 HB3 MET 52 HB3 MET 52 -6.027 0.175 -8.413 395 HG2 MET 52 HG2 MET 52 -5.726 -2.295 -9.144 396 HG3 MET 52 HG3 MET 52 -6.849 -2.618 -7.814 397 HE1 MET 52 HE1 MET 52 -8.385 -3.840 -9.663 398 HE2 MET 52 HE2 MET 52 -7.276 -3.364 -10.948 399 HE3 MET 52 HE3 MET 52 -8.998 -3.022 -11.099 400 H GLU 53 H GLU 53 -4.618 0.049 -4.862 401 HA GLU 53 HA GLU 53 -3.670 2.672 -5.408 402 HB2 GLU 53 HB2 GLU 53 -3.849 1.092 -2.861 403 HB3 GLU 53 HB3 GLU 53 -3.238 2.736 -2.905 404 HG2 GLU 53 HG2 GLU 53 -5.987 1.808 -3.672 405 HG3 GLU 53 HG3 GLU 53 -5.562 2.706 -2.223 406 H LEU 54 H LEU 54 -2.185 -0.311 -4.333 407 HA LEU 54 HA LEU 54 0.353 0.678 -3.839 408 HB2 LEU 54 HB2 LEU 54 -0.575 -1.567 -3.232 409 HB3 LEU 54 HB3 LEU 54 -0.337 -2.037 -4.887 410 HG LEU 54 HG LEU 54 2.056 -1.827 -4.710 411 HD11 LEU 54 HD11 LEU 54 1.535 -0.939 -1.871 412 HD12 LEU 54 HD12 LEU 54 2.185 0.068 -3.166 413 HD13 LEU 54 HD13 LEU 54 3.120 -1.293 -2.555 414 HD21 LEU 54 HD21 LEU 54 1.004 -3.906 -4.033 415 HD22 LEU 54 HD22 LEU 54 0.882 -3.313 -2.377 416 HD23 LEU 54 HD23 LEU 54 2.466 -3.594 -3.099 417 H ILE 55 H ILE 55 -1.035 -0.736 -6.734 418 HA ILE 55 HA ILE 55 1.181 -0.486 -8.499 419 HB ILE 55 HB ILE 55 -1.762 -0.152 -9.195 420 HG12 ILE 55 HG12 ILE 55 -0.091 -2.685 -9.287 421 HG13 ILE 55 HG13 ILE 55 -1.211 -2.282 -7.999 422 HG21 ILE 55 HG21 ILE 55 0.582 -0.921 -10.959 423 HG22 ILE 55 HG22 ILE 55 -0.292 0.610 -11.005 424 HG23 ILE 55 HG23 ILE 55 -1.107 -0.882 -11.468 425 HD11 ILE 55 HD11 ILE 55 -3.076 -2.368 -9.582 426 HD12 ILE 55 HD12 ILE 55 -2.184 -3.877 -9.544 427 HD13 ILE 55 HD13 ILE 55 -1.948 -2.753 -10.884 428 H LYS 56 H LYS 56 -1.410 1.791 -7.799 429 HA LYS 56 HA LYS 56 -0.643 4.023 -9.251 430 HB2 LYS 56 HB2 LYS 56 -2.711 4.065 -8.217 431 HB3 LYS 56 HB3 LYS 56 -2.047 3.498 -6.698 432 HG2 LYS 56 HG2 LYS 56 -1.158 5.725 -6.233 433 HG3 LYS 56 HG3 LYS 56 -1.798 6.315 -7.783 434 HD2 LYS 56 HD2 LYS 56 -4.053 5.813 -7.100 435 HD3 LYS 56 HD3 LYS 56 -3.481 5.038 -5.629 436 HE2 LYS 56 HE2 LYS 56 -2.631 7.198 -4.845 437 HE3 LYS 56 HE3 LYS 56 -3.238 7.963 -6.317 438 HZ1 LYS 56 HZ1 LYS 56 -5.472 7.371 -5.684 439 HZ2 LYS 56 HZ2 LYS 56 -4.767 8.193 -4.396 440 HZ3 LYS 56 HZ3 LYS 56 -4.911 6.500 -4.365 441 H LYS 57 H LYS 57 0.316 3.136 -5.954 442 HA LYS 57 HA LYS 57 2.013 5.320 -5.424 443 HB2 LYS 57 HB2 LYS 57 2.030 2.534 -4.284 444 HB3 LYS 57 HB3 LYS 57 2.946 3.865 -3.621 445 HG2 LYS 57 HG2 LYS 57 -0.061 3.623 -3.756 446 HG3 LYS 57 HG3 LYS 57 0.975 3.462 -2.331 447 HD2 LYS 57 HD2 LYS 57 0.639 5.969 -3.977 448 HD3 LYS 57 HD3 LYS 57 -0.164 5.627 -2.457 449 HE2 LYS 57 HE2 LYS 57 1.993 5.430 -1.291 450 HE3 LYS 57 HE3 LYS 57 2.839 5.762 -2.789 451 HZ1 LYS 57 HZ1 LYS 57 0.993 7.685 -1.473 452 HZ2 LYS 57 HZ2 LYS 57 1.963 7.977 -2.829 453 HZ3 LYS 57 HZ3 LYS 57 2.665 7.699 -1.348 454 H VAL 58 H VAL 58 2.826 2.013 -6.321 455 HA VAL 58 HA VAL 58 5.575 2.440 -6.414 456 HB VAL 58 HB VAL 58 3.779 0.258 -7.404 457 HG11 VAL 58 HG11 VAL 58 5.785 -1.172 -7.575 458 HG12 VAL 58 HG12 VAL 58 6.806 0.221 -7.216 459 HG13 VAL 58 HG13 VAL 58 5.876 0.177 -8.712 460 HG21 VAL 58 HG21 VAL 58 3.786 0.631 -5.045 461 HG22 VAL 58 HG22 VAL 58 5.542 0.604 -5.005 462 HG23 VAL 58 HG23 VAL 58 4.658 -0.872 -5.369 463 H SER 59 H SER 59 3.123 2.546 -8.954 464 HA SER 59 HA SER 59 5.077 2.581 -11.006 465 HB2 SER 59 HB2 SER 59 2.180 3.435 -11.141 466 HB3 SER 59 HB3 SER 59 3.233 3.184 -12.537 467 HG SER 59 HG SER 59 2.299 1.322 -10.648 468 H ASN 60 H ASN 60 3.692 4.960 -8.931 469 HA ASN 60 HA ASN 60 4.466 7.197 -10.551 470 HB2 ASN 60 HB2 ASN 60 2.396 7.119 -9.115 471 HB3 ASN 60 HB3 ASN 60 3.455 7.126 -7.712 472 HD21 ASN 60 HD21 ASN 60 3.841 8.846 -10.699 473 HD22 ASN 60 HD22 ASN 60 3.777 10.430 -10.017 474 H ASN 61 H ASN 61 5.611 5.390 -7.773 475 HA ASN 61 HA ASN 61 7.611 7.450 -7.306 476 HB2 ASN 61 HB2 ASN 61 6.198 7.144 -5.411 477 HB3 ASN 61 HB3 ASN 61 6.470 5.412 -5.421 478 HD21 ASN 61 HD21 ASN 61 8.193 4.608 -4.307 479 HD22 ASN 61 HD22 ASN 61 9.313 5.609 -3.458 480 H THR 62 H THR 62 7.727 3.801 -6.826 481 HA THR 62 HA THR 62 10.343 3.863 -8.076 482 HB THR 62 HB THR 62 9.985 3.196 -5.141 483 HG1 THR 62 HG1 THR 62 10.757 5.386 -6.525 484 HG21 THR 62 HG21 THR 62 11.606 1.659 -6.204 485 HG22 THR 62 HG22 THR 62 12.399 2.770 -5.087 486 HG23 THR 62 HG23 THR 62 12.489 3.055 -6.826 487 H SER 63 H SER 63 10.868 1.915 -8.977 488 HA SER 63 HA SER 63 9.102 -0.313 -8.554 489 HB2 SER 63 HB2 SER 63 10.630 -1.129 -10.534 490 HB3 SER 63 HB3 SER 63 9.359 0.052 -10.837 491 HG SER 63 HG SER 63 11.943 0.299 -11.258 Start of MODEL 6 1 H1 GLY -3 H1 GLY -3 3.940 7.139 15.420 2 H2 GLY -3 H2 GLY -3 4.337 7.557 16.991 3 H3 GLY -3 H3 GLY -3 4.400 8.724 15.766 4 HA2 GLY -3 HA3 GLY -3 2.451 9.047 17.116 5 HA3 GLY -3 HA2 GLY -3 2.006 8.564 15.482 6 H SER -2 H SER -2 1.971 6.029 15.275 7 HA SER -2 HA SER -2 0.285 5.095 17.447 8 HB2 SER -2 HB2 SER -2 0.820 3.893 14.718 9 HB3 SER -2 HB3 SER -2 -0.450 3.412 15.844 10 HG SER -2 HG SER -2 -0.605 5.178 13.979 11 H ALA -1 H ALA -1 0.582 2.484 17.643 12 HA ALA -1 HA ALA -1 3.197 2.152 18.778 13 HB1 ALA -1 HB1 ALA -1 0.959 0.147 18.562 14 HB2 ALA -1 HB2 ALA -1 1.144 1.319 19.862 15 HB3 ALA -1 HB3 ALA -1 2.359 0.062 19.633 16 H SER 0 H SER 0 2.189 1.858 15.714 17 HA SER 0 HA SER 0 4.415 0.136 15.073 18 HB2 SER 0 HB2 SER 0 1.643 -0.095 13.848 19 HB3 SER 0 HB3 SER 0 3.069 -0.992 13.327 20 HG SER 0 HG SER 0 2.786 -1.265 15.940 21 H ASN 1 H ASN 1 5.590 1.069 13.455 22 HA ASN 1 HA ASN 1 4.533 3.524 12.347 23 HB2 ASN 1 HB2 ASN 1 6.912 3.465 13.244 24 HB3 ASN 1 HB3 ASN 1 7.318 2.378 11.921 25 HD21 ASN 1 HD21 ASN 1 7.539 3.219 9.862 26 HD22 ASN 1 HD22 ASN 1 7.560 4.897 9.513 27 H THR 2 H THR 2 3.010 2.308 11.372 28 HA THR 2 HA THR 2 3.641 0.618 9.165 29 HB THR 2 HB THR 2 1.034 1.603 10.312 30 HG1 THR 2 HG1 THR 2 2.382 -0.906 10.402 31 HG21 THR 2 HG21 THR 2 -0.069 -0.032 8.895 32 HG22 THR 2 HG22 THR 2 1.487 -0.576 8.273 33 HG23 THR 2 HG23 THR 2 0.899 1.034 7.870 34 H ILE 3 H ILE 3 3.955 1.308 7.257 35 HA ILE 3 HA ILE 3 2.905 3.887 6.453 36 HB ILE 3 HB ILE 3 5.175 4.170 6.576 37 HG12 ILE 3 HG12 ILE 3 4.684 3.418 3.675 38 HG13 ILE 3 HG13 ILE 3 4.414 4.989 4.411 39 HG21 ILE 3 HG21 ILE 3 6.048 2.089 7.063 40 HG22 ILE 3 HG22 ILE 3 6.901 2.568 5.584 41 HG23 ILE 3 HG23 ILE 3 5.560 1.420 5.521 42 HD11 ILE 3 HD11 ILE 3 6.447 4.967 3.041 43 HD12 ILE 3 HD12 ILE 3 7.124 3.681 4.042 44 HD13 ILE 3 HD13 ILE 3 6.817 5.269 4.735 45 H LEU 4 H LEU 4 1.188 3.570 5.287 46 HA LEU 4 HA LEU 4 0.429 1.205 4.050 47 HB2 LEU 4 HB2 LEU 4 -0.532 4.003 3.495 48 HB3 LEU 4 HB3 LEU 4 -1.345 2.526 3.050 49 HG LEU 4 HG LEU 4 -0.950 3.622 5.824 50 HD11 LEU 4 HD11 LEU 4 -3.435 3.108 4.225 51 HD12 LEU 4 HD12 LEU 4 -2.724 4.679 4.582 52 HD13 LEU 4 HD13 LEU 4 -3.376 3.690 5.889 53 HD21 LEU 4 HD21 LEU 4 -2.217 1.657 6.616 54 HD22 LEU 4 HD22 LEU 4 -0.642 1.262 5.927 55 HD23 LEU 4 HD23 LEU 4 -2.112 0.967 4.986 56 H GLY 5 H GLY 5 1.193 0.299 2.332 57 HA2 GLY 5 HA2 GLY 5 1.466 0.434 -0.073 58 HA3 GLY 5 HA3 GLY 5 2.213 2.012 0.172 59 H ASP 6 H ASP 6 3.464 0.682 2.688 60 HA ASP 6 HA ASP 6 5.543 -0.714 1.220 61 HB2 ASP 6 HB2 ASP 6 6.348 1.455 1.922 62 HB3 ASP 6 HB3 ASP 6 5.808 1.160 3.567 63 H LEU 7 H LEU 7 4.686 -2.591 1.498 64 HA LEU 7 HA LEU 7 3.607 -3.606 3.934 65 HB2 LEU 7 HB2 LEU 7 4.083 -4.773 1.212 66 HB3 LEU 7 HB3 LEU 7 3.426 -5.706 2.529 67 HG LEU 7 HG LEU 7 1.442 -4.177 2.561 68 HD11 LEU 7 HD11 LEU 7 2.562 -3.044 0.011 69 HD12 LEU 7 HD12 LEU 7 2.494 -2.191 1.556 70 HD13 LEU 7 HD13 LEU 7 1.004 -2.686 0.758 71 HD21 LEU 7 HD21 LEU 7 2.082 -5.483 -0.047 72 HD22 LEU 7 HD22 LEU 7 0.482 -5.006 0.511 73 HD23 LEU 7 HD23 LEU 7 1.383 -6.258 1.377 74 H ASN 8 H ASN 8 6.528 -4.011 2.038 75 HA ASN 8 HA ASN 8 7.442 -6.133 3.818 76 HB2 ASN 8 HB2 ASN 8 9.355 -6.413 2.385 77 HB3 ASN 8 HB3 ASN 8 7.937 -6.312 1.364 78 HD21 ASN 8 HD21 ASN 8 10.602 -5.925 0.652 79 HD22 ASN 8 HD22 ASN 8 10.814 -4.296 0.109 80 H ASP 9 H ASP 9 7.357 -2.914 3.941 81 HA ASP 9 HA ASP 9 8.204 -1.358 5.244 82 HB2 ASP 9 HB2 ASP 9 7.524 -2.839 7.063 83 HB3 ASP 9 HB3 ASP 9 9.035 -3.725 6.907 84 H ASP 10 H ASP 10 9.575 -1.137 3.338 85 HA ASP 10 HA ASP 10 12.339 -1.176 4.241 86 HB2 ASP 10 HB2 ASP 10 13.220 -1.644 1.988 87 HB3 ASP 10 HB3 ASP 10 12.126 -2.903 2.544 88 H GLY 11 H GLY 11 9.902 0.750 3.737 89 HA2 GLY 11 HA2 GLY 11 10.007 3.063 4.077 90 HA3 GLY 11 HA3 GLY 11 11.708 3.015 3.641 91 H VAL 12 H VAL 12 9.779 1.480 1.382 92 HA VAL 12 HA VAL 12 9.212 3.873 -0.122 93 HB VAL 12 HB VAL 12 11.579 3.640 -0.591 94 HG11 VAL 12 HG11 VAL 12 11.029 0.815 -1.450 95 HG12 VAL 12 HG12 VAL 12 11.884 1.357 -0.007 96 HG13 VAL 12 HG13 VAL 12 12.579 1.660 -1.607 97 HG21 VAL 12 HG21 VAL 12 10.242 4.366 -2.497 98 HG22 VAL 12 HG22 VAL 12 9.973 2.692 -2.971 99 HG23 VAL 12 HG23 VAL 12 11.597 3.379 -3.048 100 H VAL 13 H VAL 13 7.651 3.548 -1.688 101 HA VAL 13 HA VAL 13 6.351 1.022 -1.693 102 HB VAL 13 HB VAL 13 4.799 2.193 -3.345 103 HG11 VAL 13 HG11 VAL 13 3.792 3.663 -1.611 104 HG12 VAL 13 HG12 VAL 13 5.273 3.527 -0.667 105 HG13 VAL 13 HG13 VAL 13 4.278 2.101 -0.963 106 HG21 VAL 13 HG21 VAL 13 4.964 4.656 -3.559 107 HG22 VAL 13 HG22 VAL 13 6.400 3.873 -4.207 108 HG23 VAL 13 HG23 VAL 13 6.453 4.629 -2.618 109 H ASN 14 H ASN 14 7.401 -0.516 -2.706 110 HA ASN 14 HA ASN 14 8.444 0.041 -5.361 111 HB2 ASN 14 HB2 ASN 14 10.463 -1.304 -4.929 112 HB3 ASN 14 HB3 ASN 14 10.412 0.090 -3.901 113 HD21 ASN 14 HD21 ASN 14 12.035 -2.026 -3.499 114 HD22 ASN 14 HD22 ASN 14 11.576 -2.720 -1.981 115 H GLY 15 H GLY 15 9.191 -2.115 -6.368 116 HA2 GLY 15 HA2 GLY 15 6.845 -3.529 -7.005 117 HA3 GLY 15 HA3 GLY 15 8.428 -4.028 -7.466 118 H ARG 16 H ARG 16 9.204 -4.098 -4.579 119 HA ARG 16 HA ARG 16 8.816 -6.855 -4.085 120 HB2 ARG 16 HB2 ARG 16 9.539 -4.718 -2.112 121 HB3 ARG 16 HB3 ARG 16 9.770 -6.437 -1.875 122 HG2 ARG 16 HG2 ARG 16 11.086 -4.808 -4.009 123 HG3 ARG 16 HG3 ARG 16 11.849 -5.214 -2.466 124 HD2 ARG 16 HD2 ARG 16 11.594 -7.609 -3.076 125 HD3 ARG 16 HD3 ARG 16 10.954 -7.101 -4.636 126 HE ARG 16 HE ARG 16 13.397 -5.835 -4.196 127 HH11 ARG 16 HH11 ARG 16 12.155 -9.084 -4.907 128 HH12 ARG 16 HH12 ARG 16 13.541 -9.588 -5.746 129 HH21 ARG 16 HH21 ARG 16 15.355 -6.568 -5.295 130 HH22 ARG 16 HH22 ARG 16 15.417 -8.133 -5.939 131 H ASP 17 H ASP 17 7.055 -3.973 -3.108 132 HA ASP 17 HA ASP 17 5.551 -5.128 -1.008 133 HB2 ASP 17 HB2 ASP 17 4.952 -2.736 -2.736 134 HB3 ASP 17 HB3 ASP 17 4.085 -3.177 -1.280 135 H ILE 18 H ILE 18 5.053 -4.659 -4.453 136 HA ILE 18 HA ILE 18 2.485 -5.541 -4.822 137 HB ILE 18 HB ILE 18 4.968 -5.871 -6.519 138 HG12 ILE 18 HG12 ILE 18 3.914 -4.288 -8.010 139 HG13 ILE 18 HG13 ILE 18 2.466 -4.266 -6.967 140 HG21 ILE 18 HG21 ILE 18 3.633 -6.650 -8.412 141 HG22 ILE 18 HG22 ILE 18 2.211 -6.722 -7.375 142 HG23 ILE 18 HG23 ILE 18 3.572 -7.792 -7.066 143 HD11 ILE 18 HD11 ILE 18 3.878 -2.296 -6.822 144 HD12 ILE 18 HD12 ILE 18 5.184 -3.310 -6.157 145 HD13 ILE 18 HD13 ILE 18 3.671 -3.138 -5.293 146 H VAL 19 H VAL 19 5.399 -7.406 -4.548 147 HA VAL 19 HA VAL 19 4.358 -10.015 -4.894 148 HB VAL 19 HB VAL 19 6.605 -9.338 -2.996 149 HG11 VAL 19 HG11 VAL 19 7.517 -11.519 -3.664 150 HG12 VAL 19 HG12 VAL 19 6.107 -11.780 -4.690 151 HG13 VAL 19 HG13 VAL 19 5.913 -11.655 -2.943 152 HG21 VAL 19 HG21 VAL 19 7.066 -8.134 -4.999 153 HG22 VAL 19 HG22 VAL 19 6.728 -9.554 -5.995 154 HG23 VAL 19 HG23 VAL 19 8.149 -9.526 -4.926 155 H MET 20 H MET 20 4.947 -8.186 -1.947 156 HA MET 20 HA MET 20 4.066 -10.061 -0.037 157 HB2 MET 20 HB2 MET 20 3.849 -7.065 0.229 158 HB3 MET 20 HB3 MET 20 4.036 -8.276 1.494 159 HG2 MET 20 HG2 MET 20 6.126 -7.719 -0.593 160 HG3 MET 20 HG3 MET 20 6.076 -6.905 0.956 161 HE1 MET 20 HE1 MET 20 6.889 -9.740 3.457 162 HE2 MET 20 HE2 MET 20 5.336 -9.025 3.041 163 HE3 MET 20 HE3 MET 20 6.758 -8.002 3.220 164 H MET 21 H MET 21 2.430 -7.417 -1.660 165 HA MET 21 HA MET 21 -0.122 -7.374 -0.585 166 HB2 MET 21 HB2 MET 21 0.896 -5.842 -2.314 167 HB3 MET 21 HB3 MET 21 0.668 -7.135 -3.472 168 HG2 MET 21 HG2 MET 21 -1.006 -5.642 -3.926 169 HG3 MET 21 HG3 MET 21 -1.879 -6.855 -3.026 170 HE1 MET 21 HE1 MET 21 -2.529 -4.780 0.316 171 HE2 MET 21 HE2 MET 21 -1.246 -5.948 0.109 172 HE3 MET 21 HE3 MET 21 -2.876 -6.307 -0.497 173 H ARG 22 H ARG 22 1.034 -9.075 -3.440 174 HA ARG 22 HA ARG 22 -1.274 -10.513 -4.034 175 HB2 ARG 22 HB2 ARG 22 1.595 -10.837 -4.771 176 HB3 ARG 22 HB3 ARG 22 0.352 -11.949 -5.374 177 HG2 ARG 22 HG2 ARG 22 -0.735 -10.093 -6.492 178 HG3 ARG 22 HG3 ARG 22 0.421 -8.963 -5.778 179 HD2 ARG 22 HD2 ARG 22 2.235 -9.988 -6.953 180 HD3 ARG 22 HD3 ARG 22 1.205 -11.250 -7.595 181 HE ARG 22 HE ARG 22 0.167 -8.785 -8.363 182 HH11 ARG 22 HH11 ARG 22 2.990 -10.798 -8.988 183 HH12 ARG 22 HH12 ARG 22 3.337 -10.151 -10.516 184 HH21 ARG 22 HH21 ARG 22 0.602 -7.883 -10.484 185 HH22 ARG 22 HH22 ARG 22 1.926 -8.437 -11.397 186 H GLN 23 H GLN 23 1.506 -11.367 -1.971 187 HA GLN 23 HA GLN 23 0.983 -14.079 -1.675 188 HB2 GLN 23 HB2 GLN 23 1.990 -12.189 0.403 189 HB3 GLN 23 HB3 GLN 23 2.190 -13.932 0.428 190 HG2 GLN 23 HG2 GLN 23 3.441 -11.978 -1.477 191 HG3 GLN 23 HG3 GLN 23 4.246 -12.809 -0.176 192 HE21 GLN 23 HE21 GLN 23 5.732 -13.855 -1.432 193 HE22 GLN 23 HE22 GLN 23 5.296 -15.086 -2.569 194 H TYR 24 H TYR 24 0.016 -11.367 0.419 195 HA TYR 24 HA TYR 24 -1.556 -12.978 2.119 196 HB2 TYR 24 HB2 TYR 24 -0.635 -10.839 2.723 197 HB3 TYR 24 HB3 TYR 24 -1.695 -9.981 1.683 198 HD1 TYR 24 HD1 TYR 24 -4.116 -9.821 2.147 199 HD2 TYR 24 HD2 TYR 24 -1.524 -11.840 4.845 200 HE1 TYR 24 HE1 TYR 24 -5.872 -9.792 3.813 201 HE2 TYR 24 HE2 TYR 24 -3.297 -11.818 6.555 202 HH TYR 24 HH TYR 24 -6.495 -11.117 5.784 203 H LEU 25 H LEU 25 -2.293 -10.987 -0.554 204 HA LEU 25 HA LEU 25 -5.117 -11.201 -0.643 205 HB2 LEU 25 HB2 LEU 25 -3.229 -11.012 -2.994 206 HB3 LEU 25 HB3 LEU 25 -4.967 -10.945 -3.151 207 HG LEU 25 HG LEU 25 -3.238 -8.922 -1.718 208 HD11 LEU 25 HD11 LEU 25 -4.682 -8.815 -4.357 209 HD12 LEU 25 HD12 LEU 25 -2.931 -8.840 -4.117 210 HD13 LEU 25 HD13 LEU 25 -3.881 -7.454 -3.581 211 HD21 LEU 25 HD21 LEU 25 -5.492 -9.038 -0.722 212 HD22 LEU 25 HD22 LEU 25 -6.205 -8.843 -2.329 213 HD23 LEU 25 HD23 LEU 25 -5.272 -7.540 -1.626 214 H ALA 26 H ALA 26 -2.695 -13.392 -1.964 215 HA ALA 26 HA ALA 26 -4.557 -15.235 -3.089 216 HB1 ALA 26 HB1 ALA 26 -2.231 -15.058 -3.877 217 HB2 ALA 26 HB2 ALA 26 -2.641 -16.706 -3.399 218 HB3 ALA 26 HB3 ALA 26 -1.676 -15.689 -2.327 219 H GLY 27 H GLY 27 -3.270 -14.774 0.056 220 HA2 GLY 27 HA2 GLY 27 -4.552 -15.704 1.873 221 HA3 GLY 27 HA3 GLY 27 -4.698 -17.150 0.880 222 H LYS 28 H LYS 28 -1.603 -15.766 0.796 223 HA LYS 28 HA LYS 28 -0.583 -18.004 2.346 224 HB2 LYS 28 HB2 LYS 28 1.128 -15.856 1.056 225 HB3 LYS 28 HB3 LYS 28 1.546 -17.473 1.523 226 HG2 LYS 28 HG2 LYS 28 0.213 -18.411 -0.274 227 HG3 LYS 28 HG3 LYS 28 -0.296 -16.770 -0.722 228 HD2 LYS 28 HD2 LYS 28 2.033 -16.155 -1.116 229 HD3 LYS 28 HD3 LYS 28 2.535 -17.793 -0.719 230 HE2 LYS 28 HE2 LYS 28 0.680 -17.072 -2.987 231 HE3 LYS 28 HE3 LYS 28 2.412 -17.324 -3.158 232 HZ1 LYS 28 HZ1 LYS 28 1.237 -19.265 -3.778 233 HZ2 LYS 28 HZ2 LYS 28 0.392 -19.336 -2.326 234 HZ3 LYS 28 HZ3 LYS 28 2.063 -19.611 -2.350 235 H THR 29 H THR 29 0.701 -17.737 4.123 236 HA THR 29 HA THR 29 0.199 -15.358 5.686 237 HB THR 29 HB THR 29 1.869 -17.799 6.414 238 HG1 THR 29 HG1 THR 29 0.082 -18.775 7.048 239 HG21 THR 29 HG21 THR 29 2.199 -15.778 7.805 240 HG22 THR 29 HG22 THR 29 1.458 -17.090 8.712 241 HG23 THR 29 HG23 THR 29 0.467 -15.743 8.144 242 H VAL 30 H VAL 30 1.499 -13.693 5.163 243 HA VAL 30 HA VAL 30 4.086 -14.219 4.004 244 HB VAL 30 HB VAL 30 3.167 -11.485 4.713 245 HG11 VAL 30 HG11 VAL 30 5.306 -11.735 3.639 246 HG12 VAL 30 HG12 VAL 30 4.192 -10.927 2.528 247 HG13 VAL 30 HG13 VAL 30 4.565 -12.627 2.312 248 HG21 VAL 30 HG21 VAL 30 1.825 -11.311 2.627 249 HG22 VAL 30 HG22 VAL 30 1.113 -12.369 3.839 250 HG23 VAL 30 HG23 VAL 30 1.945 -13.062 2.448 251 H SER 31 H SER 31 5.712 -14.563 5.346 252 HA SER 31 HA SER 31 5.497 -13.928 8.116 253 HB2 SER 31 HB2 SER 31 6.529 -16.032 7.279 254 HB3 SER 31 HB3 SER 31 7.828 -15.076 6.570 255 HG SER 31 HG SER 31 8.505 -15.830 8.496 256 H GLY 32 H GLY 32 5.970 -12.000 8.926 257 HA2 GLY 32 HA2 GLY 32 7.318 -10.214 9.462 258 HA3 GLY 32 HA3 GLY 32 8.441 -10.701 8.202 259 H ILE 33 H ILE 33 5.034 -10.158 7.639 260 HA ILE 33 HA ILE 33 5.696 -7.897 5.917 261 HB ILE 33 HB ILE 33 4.244 -9.821 5.054 262 HG12 ILE 33 HG12 ILE 33 2.777 -7.151 5.135 263 HG13 ILE 33 HG13 ILE 33 4.090 -7.515 4.060 264 HG21 ILE 33 HG21 ILE 33 3.036 -10.379 7.057 265 HG22 ILE 33 HG22 ILE 33 1.895 -9.957 5.776 266 HG23 ILE 33 HG23 ILE 33 2.250 -8.802 7.060 267 HD11 ILE 33 HD11 ILE 33 2.733 -9.344 3.024 268 HD12 ILE 33 HD12 ILE 33 1.947 -7.789 2.881 269 HD13 ILE 33 HD13 ILE 33 1.394 -8.936 4.082 270 H ASP 34 H ASP 34 4.656 -5.852 6.319 271 HA ASP 34 HA ASP 34 3.534 -5.614 9.022 272 HB2 ASP 34 HB2 ASP 34 4.907 -3.646 7.953 273 HB3 ASP 34 HB3 ASP 34 3.518 -3.436 6.910 274 H LYS 35 H LYS 35 1.651 -6.550 9.087 275 HA LYS 35 HA LYS 35 0.170 -7.049 6.752 276 HB2 LYS 35 HB2 LYS 35 0.402 -8.488 8.826 277 HB3 LYS 35 HB3 LYS 35 -0.804 -7.434 9.553 278 HG2 LYS 35 HG2 LYS 35 -2.298 -7.966 7.660 279 HG3 LYS 35 HG3 LYS 35 -1.130 -9.154 7.120 280 HD2 LYS 35 HD2 LYS 35 -2.870 -10.277 8.416 281 HD3 LYS 35 HD3 LYS 35 -1.327 -10.363 9.266 282 HE2 LYS 35 HE2 LYS 35 -2.001 -8.554 10.737 283 HE3 LYS 35 HE3 LYS 35 -3.502 -8.348 9.832 284 HZ1 LYS 35 HZ1 LYS 35 -2.694 -10.719 11.400 285 HZ2 LYS 35 HZ2 LYS 35 -4.107 -10.601 10.519 286 HZ3 LYS 35 HZ3 LYS 35 -3.847 -9.581 11.857 287 H ASN 36 H ASN 36 0.237 -4.352 8.782 288 HA ASN 36 HA ASN 36 -2.528 -3.584 8.457 289 HB2 ASN 36 HB2 ASN 36 -0.211 -1.981 9.521 290 HB3 ASN 36 HB3 ASN 36 -1.925 -1.666 9.753 291 HD21 ASN 36 HD21 ASN 36 0.827 -3.360 10.733 292 HD22 ASN 36 HD22 ASN 36 0.186 -4.123 12.152 293 H ALA 37 H ALA 37 0.570 -3.223 6.919 294 HA ALA 37 HA ALA 37 0.047 -0.633 5.761 295 HB1 ALA 37 HB1 ALA 37 2.257 -2.572 5.162 296 HB2 ALA 37 HB2 ALA 37 2.299 -1.307 6.394 297 HB3 ALA 37 HB3 ALA 37 2.186 -0.871 4.692 298 H LEU 38 H LEU 38 -1.083 -3.550 5.103 299 HA LEU 38 HA LEU 38 -0.971 -3.607 2.237 300 HB2 LEU 38 HB2 LEU 38 -2.578 -5.156 4.247 301 HB3 LEU 38 HB3 LEU 38 -2.833 -5.316 2.531 302 HG LEU 38 HG LEU 38 -0.540 -6.190 2.283 303 HD11 LEU 38 HD11 LEU 38 0.507 -5.105 4.116 304 HD12 LEU 38 HD12 LEU 38 0.653 -6.864 4.267 305 HD13 LEU 38 HD13 LEU 38 -0.527 -5.970 5.242 306 HD21 LEU 38 HD21 LEU 38 -2.396 -7.671 2.571 307 HD22 LEU 38 HD22 LEU 38 -2.263 -7.525 4.318 308 HD23 LEU 38 HD23 LEU 38 -0.970 -8.298 3.401 309 H ASP 39 H ASP 39 -2.978 -2.140 4.673 310 HA ASP 39 HA ASP 39 -5.079 -1.967 2.723 311 HB2 ASP 39 HB2 ASP 39 -5.364 -2.562 5.206 312 HB3 ASP 39 HB3 ASP 39 -5.358 -0.795 5.446 313 H ILE 40 H ILE 40 -3.954 -0.784 1.416 314 HA ILE 40 HA ILE 40 -2.729 1.705 2.037 315 HB ILE 40 HB ILE 40 -3.299 0.453 -0.659 316 HG12 ILE 40 HG12 ILE 40 -0.802 0.265 0.986 317 HG13 ILE 40 HG13 ILE 40 -2.064 -0.935 1.110 318 HG21 ILE 40 HG21 ILE 40 -1.196 2.447 0.246 319 HG22 ILE 40 HG22 ILE 40 -2.648 2.826 -0.682 320 HG23 ILE 40 HG23 ILE 40 -1.389 1.808 -1.399 321 HD11 ILE 40 HD11 ILE 40 -0.323 -1.692 -0.370 322 HD12 ILE 40 HD12 ILE 40 -0.535 -0.253 -1.381 323 HD13 ILE 40 HD13 ILE 40 -1.829 -1.446 -1.241 324 H ASN 41 H ASN 41 -5.808 0.739 0.779 325 HA ASN 41 HA ASN 41 -6.438 3.467 0.002 326 HB2 ASN 41 HB2 ASN 41 -8.493 2.676 -0.930 327 HB3 ASN 41 HB3 ASN 41 -7.321 1.424 -1.286 328 HD21 ASN 41 HD21 ASN 41 -10.123 1.168 -1.307 329 HD22 ASN 41 HD22 ASN 41 -10.573 0.071 -0.036 330 H GLY 42 H GLY 42 -6.418 1.737 2.830 331 HA2 GLY 42 HA2 GLY 42 -7.057 2.225 4.953 332 HA3 GLY 42 HA3 GLY 42 -7.457 3.829 4.385 333 H ASP 43 H ASP 43 -8.862 0.612 3.819 334 HA ASP 43 HA ASP 43 -11.415 1.743 4.780 335 HB2 ASP 43 HB2 ASP 43 -12.722 0.216 3.310 336 HB3 ASP 43 HB3 ASP 43 -11.692 1.284 2.377 337 H GLY 44 H GLY 44 -9.122 -0.735 5.134 338 HA2 GLY 44 HA2 GLY 44 -8.961 -1.779 7.278 339 HA3 GLY 44 HA3 GLY 44 -10.715 -1.750 7.367 340 H ALA 45 H ALA 45 -10.394 -2.700 4.340 341 HA ALA 45 HA ALA 45 -9.943 -5.521 5.052 342 HB1 ALA 45 HB1 ALA 45 -11.494 -6.148 3.358 343 HB2 ALA 45 HB2 ALA 45 -11.895 -4.440 3.054 344 HB3 ALA 45 HB3 ALA 45 -12.303 -5.194 4.615 345 H VAL 46 H VAL 46 -8.569 -6.573 3.803 346 HA VAL 46 HA VAL 46 -7.021 -5.023 1.994 347 HB VAL 46 HB VAL 46 -6.802 -7.879 2.869 348 HG11 VAL 46 HG11 VAL 46 -4.445 -7.622 2.200 349 HG12 VAL 46 HG12 VAL 46 -4.815 -5.946 1.741 350 HG13 VAL 46 HG13 VAL 46 -5.559 -7.292 0.850 351 HG21 VAL 46 HG21 VAL 46 -6.704 -6.448 4.820 352 HG22 VAL 46 HG22 VAL 46 -5.478 -5.436 4.056 353 HG23 VAL 46 HG23 VAL 46 -5.101 -7.104 4.486 354 H ASN 47 H ASN 47 -7.744 -4.860 0.029 355 HA ASN 47 HA ASN 47 -8.836 -7.169 -1.331 356 HB2 ASN 47 HB2 ASN 47 -10.574 -5.491 -2.310 357 HB3 ASN 47 HB3 ASN 47 -10.849 -6.179 -0.715 358 HD21 ASN 47 HD21 ASN 47 -12.006 -4.623 0.189 359 HD22 ASN 47 HD22 ASN 47 -11.462 -3.025 0.529 360 H GLY 48 H GLY 48 -9.225 -6.464 -3.720 361 HA2 GLY 48 HA2 GLY 48 -6.708 -5.885 -4.784 362 HA3 GLY 48 HA3 GLY 48 -8.172 -5.942 -5.739 363 H ARG 49 H ARG 49 -9.083 -3.786 -3.686 364 HA ARG 49 HA ARG 49 -8.531 -1.527 -5.301 365 HB2 ARG 49 HB2 ARG 49 -9.485 -1.497 -2.446 366 HB3 ARG 49 HB3 ARG 49 -9.663 -0.218 -3.637 367 HG2 ARG 49 HG2 ARG 49 -10.925 -2.092 -4.970 368 HG3 ARG 49 HG3 ARG 49 -11.057 -2.785 -3.362 369 HD2 ARG 49 HD2 ARG 49 -11.879 0.020 -3.929 370 HD3 ARG 49 HD3 ARG 49 -12.986 -1.343 -4.061 371 HE ARG 49 HE ARG 49 -11.669 -1.200 -1.526 372 HH11 ARG 49 HH11 ARG 49 -14.431 -0.081 -3.437 373 HH12 ARG 49 HH12 ARG 49 -15.342 0.409 -2.093 374 HH21 ARG 49 HH21 ARG 49 -12.929 -0.526 0.329 375 HH22 ARG 49 HH22 ARG 49 -14.472 0.171 0.108 376 H ASP 50 H ASP 50 -7.086 -2.870 -2.381 377 HA ASP 50 HA ASP 50 -5.389 -0.654 -1.846 378 HB2 ASP 50 HB2 ASP 50 -5.104 -3.549 -1.063 379 HB3 ASP 50 HB3 ASP 50 -4.214 -2.186 -0.393 380 H LEU 51 H LEU 51 -5.179 -3.689 -3.523 381 HA LEU 51 HA LEU 51 -2.506 -3.636 -4.336 382 HB2 LEU 51 HB2 LEU 51 -3.809 -5.625 -4.657 383 HB3 LEU 51 HB3 LEU 51 -4.952 -4.781 -5.668 384 HG LEU 51 HG LEU 51 -3.292 -4.635 -7.474 385 HD11 LEU 51 HD11 LEU 51 -1.503 -6.319 -5.722 386 HD12 LEU 51 HD12 LEU 51 -1.246 -4.601 -6.036 387 HD13 LEU 51 HD13 LEU 51 -1.159 -5.763 -7.358 388 HD21 LEU 51 HD21 LEU 51 -3.229 -7.010 -8.022 389 HD22 LEU 51 HD22 LEU 51 -4.794 -6.556 -7.330 390 HD23 LEU 51 HD23 LEU 51 -3.585 -7.384 -6.336 391 H MET 52 H MET 52 -5.376 -2.288 -5.871 392 HA MET 52 HA MET 52 -4.120 -1.133 -8.128 393 HB2 MET 52 HB2 MET 52 -6.618 -0.231 -6.686 394 HB3 MET 52 HB3 MET 52 -6.086 0.431 -8.221 395 HG2 MET 52 HG2 MET 52 -6.317 -1.745 -9.251 396 HG3 MET 52 HG3 MET 52 -6.827 -2.437 -7.710 397 HE1 MET 52 HE1 MET 52 -9.052 -3.424 -8.749 398 HE2 MET 52 HE2 MET 52 -8.543 -2.828 -10.327 399 HE3 MET 52 HE3 MET 52 -10.168 -2.483 -9.736 400 H GLU 53 H GLU 53 -4.635 0.079 -4.886 401 HA GLU 53 HA GLU 53 -3.636 2.687 -5.301 402 HB2 GLU 53 HB2 GLU 53 -3.812 0.986 -2.840 403 HB3 GLU 53 HB3 GLU 53 -3.289 2.659 -2.823 404 HG2 GLU 53 HG2 GLU 53 -5.950 1.666 -3.759 405 HG3 GLU 53 HG3 GLU 53 -5.664 2.379 -2.181 406 H LEU 54 H LEU 54 -2.175 -0.350 -4.311 407 HA LEU 54 HA LEU 54 0.368 0.619 -3.725 408 HB2 LEU 54 HB2 LEU 54 -0.562 -1.631 -3.164 409 HB3 LEU 54 HB3 LEU 54 -0.344 -2.065 -4.833 410 HG LEU 54 HG LEU 54 2.044 -1.876 -4.681 411 HD11 LEU 54 HD11 LEU 54 2.208 -0.024 -3.112 412 HD12 LEU 54 HD12 LEU 54 3.126 -1.405 -2.507 413 HD13 LEU 54 HD13 LEU 54 1.539 -1.030 -1.835 414 HD21 LEU 54 HD21 LEU 54 2.467 -3.677 -3.104 415 HD22 LEU 54 HD22 LEU 54 0.999 -3.973 -4.038 416 HD23 LEU 54 HD23 LEU 54 0.887 -3.412 -2.370 417 H ILE 55 H ILE 55 -0.938 -0.801 -6.650 418 HA ILE 55 HA ILE 55 1.346 -0.472 -8.323 419 HB ILE 55 HB ILE 55 -1.600 -0.428 -9.130 420 HG12 ILE 55 HG12 ILE 55 0.335 -2.771 -9.086 421 HG13 ILE 55 HG13 ILE 55 -0.884 -2.450 -7.863 422 HG21 ILE 55 HG21 ILE 55 -0.790 -1.113 -11.357 423 HG22 ILE 55 HG22 ILE 55 0.875 -1.010 -10.784 424 HG23 ILE 55 HG23 ILE 55 -0.112 0.448 -10.887 425 HD11 ILE 55 HD11 ILE 55 -1.435 -3.044 -10.765 426 HD12 ILE 55 HD12 ILE 55 -2.645 -2.765 -9.504 427 HD13 ILE 55 HD13 ILE 55 -1.598 -4.173 -9.417 428 H LYS 56 H LYS 56 -1.362 1.689 -7.723 429 HA LYS 56 HA LYS 56 -0.644 3.912 -9.199 430 HB2 LYS 56 HB2 LYS 56 -2.700 4.013 -8.164 431 HB3 LYS 56 HB3 LYS 56 -2.075 3.373 -6.666 432 HG2 LYS 56 HG2 LYS 56 -1.093 5.579 -6.156 433 HG3 LYS 56 HG3 LYS 56 -1.815 6.214 -7.651 434 HD2 LYS 56 HD2 LYS 56 -4.021 5.709 -6.868 435 HD3 LYS 56 HD3 LYS 56 -3.389 4.843 -5.474 436 HE2 LYS 56 HE2 LYS 56 -2.462 6.948 -4.627 437 HE3 LYS 56 HE3 LYS 56 -3.154 7.788 -6.022 438 HZ1 LYS 56 HZ1 LYS 56 -5.332 7.198 -5.298 439 HZ2 LYS 56 HZ2 LYS 56 -4.553 7.914 -3.996 440 HZ3 LYS 56 HZ3 LYS 56 -4.739 6.233 -4.058 441 H LYS 57 H LYS 57 0.433 3.047 -5.924 442 HA LYS 57 HA LYS 57 2.069 5.294 -5.421 443 HB2 LYS 57 HB2 LYS 57 2.296 2.500 -4.302 444 HB3 LYS 57 HB3 LYS 57 3.095 3.911 -3.651 445 HG2 LYS 57 HG2 LYS 57 0.124 3.408 -3.721 446 HG3 LYS 57 HG3 LYS 57 1.180 3.262 -2.323 447 HD2 LYS 57 HD2 LYS 57 0.571 5.794 -3.842 448 HD3 LYS 57 HD3 LYS 57 -0.111 5.327 -2.290 449 HE2 LYS 57 HE2 LYS 57 2.222 5.254 -1.355 450 HE3 LYS 57 HE3 LYS 57 2.787 5.962 -2.864 451 HZ1 LYS 57 HZ1 LYS 57 1.335 7.892 -2.412 452 HZ2 LYS 57 HZ2 LYS 57 2.468 7.646 -1.185 453 HZ3 LYS 57 HZ3 LYS 57 0.877 7.170 -0.957 454 H VAL 58 H VAL 58 2.924 2.000 -6.391 455 HA VAL 58 HA VAL 58 5.665 2.505 -6.687 456 HB VAL 58 HB VAL 58 3.895 0.328 -7.723 457 HG11 VAL 58 HG11 VAL 58 6.917 0.331 -7.350 458 HG12 VAL 58 HG12 VAL 58 6.079 0.307 -8.902 459 HG13 VAL 58 HG13 VAL 58 5.962 -1.080 -7.816 460 HG21 VAL 58 HG21 VAL 58 5.513 0.588 -5.206 461 HG22 VAL 58 HG22 VAL 58 4.723 -0.898 -5.698 462 HG23 VAL 58 HG23 VAL 58 3.763 0.550 -5.354 463 H SER 59 H SER 59 2.999 2.837 -8.862 464 HA SER 59 HA SER 59 4.582 3.055 -11.200 465 HB2 SER 59 HB2 SER 59 1.770 4.077 -10.737 466 HB3 SER 59 HB3 SER 59 2.567 4.082 -12.308 467 HG SER 59 HG SER 59 2.068 1.835 -10.676 468 H ASN 60 H ASN 60 3.493 5.336 -8.748 469 HA ASN 60 HA ASN 60 4.266 7.732 -10.067 470 HB2 ASN 60 HB2 ASN 60 2.539 7.652 -8.335 471 HB3 ASN 60 HB3 ASN 60 3.693 6.998 -7.189 472 HD21 ASN 60 HD21 ASN 60 3.473 8.552 -5.746 473 HD22 ASN 60 HD22 ASN 60 3.985 10.181 -6.002 474 H ASN 61 H ASN 61 5.606 5.429 -7.878 475 HA ASN 61 HA ASN 61 8.176 6.732 -7.533 476 HB2 ASN 61 HB2 ASN 61 6.972 5.354 -5.757 477 HB3 ASN 61 HB3 ASN 61 7.217 3.944 -6.767 478 HD21 ASN 61 HD21 ASN 61 9.197 2.865 -6.653 479 HD22 ASN 61 HD22 ASN 61 10.440 3.359 -5.599 480 H THR 62 H THR 62 10.119 4.941 -8.080 481 HA THR 62 HA THR 62 9.373 3.983 -10.704 482 HB THR 62 HB THR 62 12.173 4.811 -9.846 483 HG1 THR 62 HG1 THR 62 11.477 6.741 -10.450 484 HG21 THR 62 HG21 THR 62 12.172 3.052 -11.593 485 HG22 THR 62 HG22 THR 62 12.727 4.600 -12.233 486 HG23 THR 62 HG23 THR 62 11.090 4.041 -12.574 487 H SER 63 H SER 63 8.521 2.209 -9.728 488 HA SER 63 HA SER 63 8.364 0.074 -9.058 489 HB2 SER 63 HB2 SER 63 10.914 -0.160 -10.662 490 HB3 SER 63 HB3 SER 63 9.813 -1.485 -10.269 491 HG SER 63 HG SER 63 8.673 0.743 -11.445 Start of MODEL 7 1 H1 GLY -3 H1 GLY -3 7.851 7.827 7.953 2 H2 GLY -3 H2 GLY -3 7.244 9.321 7.443 3 H3 GLY -3 H3 GLY -3 6.479 7.920 6.970 4 HA2 GLY -3 HA3 GLY -3 5.834 7.499 9.262 5 HA3 GLY -3 HA2 GLY -3 6.701 8.961 9.721 6 H SER -2 H SER -2 3.743 7.752 9.023 7 HA SER -2 HA SER -2 2.698 10.446 8.615 8 HB2 SER -2 HB2 SER -2 1.641 7.965 7.213 9 HB3 SER -2 HB3 SER -2 0.989 9.599 7.069 10 HG SER -2 HG SER -2 3.675 9.412 6.546 11 H ALA -1 H ALA -1 2.403 10.458 10.823 12 HA ALA -1 HA ALA -1 1.326 10.314 12.785 13 HB1 ALA -1 HB1 ALA -1 -1.027 9.694 12.848 14 HB2 ALA -1 HB2 ALA -1 -0.907 8.985 11.238 15 HB3 ALA -1 HB3 ALA -1 -0.704 10.726 11.457 16 H SER 0 H SER 0 2.800 7.946 11.534 17 HA SER 0 HA SER 0 2.866 6.171 13.655 18 HB2 SER 0 HB2 SER 0 0.585 5.551 12.808 19 HB3 SER 0 HB3 SER 0 1.300 5.185 11.244 20 HG SER 0 HG SER 0 0.973 3.441 12.984 21 H ASN 1 H ASN 1 4.239 4.345 13.035 22 HA ASN 1 HA ASN 1 6.151 5.071 10.977 23 HB2 ASN 1 HB2 ASN 1 6.727 4.139 13.340 24 HB3 ASN 1 HB3 ASN 1 6.182 2.592 12.731 25 HD21 ASN 1 HD21 ASN 1 7.477 3.015 10.060 26 HD22 ASN 1 HD22 ASN 1 9.164 2.814 10.349 27 H THR 2 H THR 2 3.356 3.175 11.342 28 HA THR 2 HA THR 2 3.749 1.239 9.356 29 HB THR 2 HB THR 2 1.207 2.635 10.183 30 HG1 THR 2 HG1 THR 2 2.774 0.644 11.381 31 HG21 THR 2 HG21 THR 2 0.899 1.294 8.165 32 HG22 THR 2 HG22 THR 2 0.137 0.451 9.519 33 HG23 THR 2 HG23 THR 2 1.707 -0.076 8.923 34 H ILE 3 H ILE 3 3.586 1.412 7.204 35 HA ILE 3 HA ILE 3 2.962 4.010 6.079 36 HB ILE 3 HB ILE 3 5.270 4.006 6.221 37 HG12 ILE 3 HG12 ILE 3 4.686 3.035 3.395 38 HG13 ILE 3 HG13 ILE 3 4.492 4.681 3.966 39 HG21 ILE 3 HG21 ILE 3 6.748 2.116 5.399 40 HG22 ILE 3 HG22 ILE 3 5.264 1.122 5.444 41 HG23 ILE 3 HG23 ILE 3 5.852 1.885 6.895 42 HD11 ILE 3 HD11 ILE 3 7.110 3.187 3.777 43 HD12 ILE 3 HD12 ILE 3 6.904 4.851 4.322 44 HD13 ILE 3 HD13 ILE 3 6.528 4.419 2.654 45 H LEU 4 H LEU 4 1.105 3.586 5.060 46 HA LEU 4 HA LEU 4 0.330 1.194 3.896 47 HB2 LEU 4 HB2 LEU 4 -0.488 3.990 3.165 48 HB3 LEU 4 HB3 LEU 4 -1.316 2.518 2.719 49 HG LEU 4 HG LEU 4 -1.066 3.713 5.465 50 HD11 LEU 4 HD11 LEU 4 -2.700 4.775 4.034 51 HD12 LEU 4 HD12 LEU 4 -3.496 3.869 5.318 52 HD13 LEU 4 HD13 LEU 4 -3.438 3.215 3.686 53 HD21 LEU 4 HD21 LEU 4 -2.437 1.814 6.243 54 HD22 LEU 4 HD22 LEU 4 -0.847 1.341 5.665 55 HD23 LEU 4 HD23 LEU 4 -2.269 1.058 4.652 56 H GLY 5 H GLY 5 1.098 0.197 2.217 57 HA2 GLY 5 HA2 GLY 5 1.458 0.234 -0.150 58 HA3 GLY 5 HA3 GLY 5 2.187 1.828 0.044 59 H ASP 6 H ASP 6 3.455 0.593 2.627 60 HA ASP 6 HA ASP 6 5.519 -0.850 1.189 61 HB2 ASP 6 HB2 ASP 6 6.370 1.312 1.827 62 HB3 ASP 6 HB3 ASP 6 5.812 1.091 3.472 63 H LEU 7 H LEU 7 4.740 -2.675 1.482 64 HA LEU 7 HA LEU 7 3.616 -3.689 3.904 65 HB2 LEU 7 HB2 LEU 7 4.124 -4.853 1.191 66 HB3 LEU 7 HB3 LEU 7 3.470 -5.797 2.500 67 HG LEU 7 HG LEU 7 1.475 -4.262 2.524 68 HD11 LEU 7 HD11 LEU 7 2.522 -2.287 1.478 69 HD12 LEU 7 HD12 LEU 7 1.033 -2.814 0.695 70 HD13 LEU 7 HD13 LEU 7 2.590 -3.186 -0.043 71 HD21 LEU 7 HD21 LEU 7 0.523 -5.111 0.485 72 HD22 LEU 7 HD22 LEU 7 1.402 -6.357 1.381 73 HD23 LEU 7 HD23 LEU 7 2.119 -5.622 -0.051 74 H ASN 8 H ASN 8 6.575 -4.063 2.080 75 HA ASN 8 HA ASN 8 7.480 -6.191 3.864 76 HB2 ASN 8 HB2 ASN 8 9.455 -6.416 2.457 77 HB3 ASN 8 HB3 ASN 8 8.031 -6.403 1.440 78 HD21 ASN 8 HD21 ASN 8 10.653 -5.906 0.639 79 HD22 ASN 8 HD22 ASN 8 10.790 -4.265 0.114 80 H ASP 9 H ASP 9 7.389 -2.963 3.981 81 HA ASP 9 HA ASP 9 8.211 -1.395 5.283 82 HB2 ASP 9 HB2 ASP 9 7.500 -2.818 7.119 83 HB3 ASP 9 HB3 ASP 9 8.971 -3.767 7.017 84 H ASP 10 H ASP 10 9.604 -1.244 3.384 85 HA ASP 10 HA ASP 10 12.387 -1.309 4.271 86 HB2 ASP 10 HB2 ASP 10 13.209 -1.682 1.953 87 HB3 ASP 10 HB3 ASP 10 12.131 -2.960 2.495 88 H GLY 11 H GLY 11 9.932 0.635 3.854 89 HA2 GLY 11 HA2 GLY 11 10.024 2.878 4.328 90 HA3 GLY 11 HA3 GLY 11 11.721 2.902 3.868 91 H VAL 12 H VAL 12 9.820 1.394 1.547 92 HA VAL 12 HA VAL 12 9.193 3.824 0.133 93 HB VAL 12 HB VAL 12 11.553 3.677 -0.367 94 HG11 VAL 12 HG11 VAL 12 12.607 1.748 -1.436 95 HG12 VAL 12 HG12 VAL 12 11.093 0.851 -1.262 96 HG13 VAL 12 HG13 VAL 12 11.963 1.402 0.174 97 HG21 VAL 12 HG21 VAL 12 11.570 3.451 -2.825 98 HG22 VAL 12 HG22 VAL 12 10.183 4.378 -2.253 99 HG23 VAL 12 HG23 VAL 12 9.976 2.701 -2.746 100 H VAL 13 H VAL 13 7.537 3.541 -1.332 101 HA VAL 13 HA VAL 13 6.355 0.995 -1.591 102 HB VAL 13 HB VAL 13 4.804 2.236 -3.193 103 HG11 VAL 13 HG11 VAL 13 4.262 2.001 -0.812 104 HG12 VAL 13 HG12 VAL 13 3.740 3.580 -1.390 105 HG13 VAL 13 HG13 VAL 13 5.215 3.431 -0.439 106 HG21 VAL 13 HG21 VAL 13 4.916 4.703 -3.240 107 HG22 VAL 13 HG22 VAL 13 6.381 3.993 -3.918 108 HG23 VAL 13 HG23 VAL 13 6.396 4.652 -2.288 109 H ASN 14 H ASN 14 7.468 -0.466 -2.668 110 HA ASN 14 HA ASN 14 8.433 0.162 -5.336 111 HB2 ASN 14 HB2 ASN 14 10.457 -1.220 -4.984 112 HB3 ASN 14 HB3 ASN 14 10.461 0.174 -3.952 113 HD21 ASN 14 HD21 ASN 14 12.019 -2.076 -3.618 114 HD22 ASN 14 HD22 ASN 14 11.576 -2.697 -2.068 115 H GLY 15 H GLY 15 9.187 -2.036 -6.383 116 HA2 GLY 15 HA2 GLY 15 6.851 -3.464 -6.997 117 HA3 GLY 15 HA3 GLY 15 8.444 -3.964 -7.419 118 H ARG 16 H ARG 16 9.233 -4.088 -4.554 119 HA ARG 16 HA ARG 16 8.739 -6.832 -4.067 120 HB2 ARG 16 HB2 ARG 16 9.451 -4.766 -2.021 121 HB3 ARG 16 HB3 ARG 16 9.671 -6.495 -1.864 122 HG2 ARG 16 HG2 ARG 16 11.074 -4.698 -3.801 123 HG3 ARG 16 HG3 ARG 16 11.766 -5.351 -2.314 124 HD2 ARG 16 HD2 ARG 16 11.421 -7.623 -3.234 125 HD3 ARG 16 HD3 ARG 16 10.882 -6.884 -4.745 126 HE ARG 16 HE ARG 16 13.465 -6.104 -3.696 127 HH11 ARG 16 HH11 ARG 16 11.689 -7.889 -6.175 128 HH12 ARG 16 HH12 ARG 16 13.064 -8.172 -7.133 129 HH21 ARG 16 HH21 ARG 16 15.289 -6.422 -5.007 130 HH22 ARG 16 HH22 ARG 16 15.173 -7.276 -6.484 131 H ASP 17 H ASP 17 7.060 -3.935 -3.077 132 HA ASP 17 HA ASP 17 5.510 -5.058 -1.008 133 HB2 ASP 17 HB2 ASP 17 4.974 -2.692 -2.775 134 HB3 ASP 17 HB3 ASP 17 4.071 -3.085 -1.322 135 H ILE 18 H ILE 18 5.018 -4.580 -4.439 136 HA ILE 18 HA ILE 18 2.466 -5.493 -4.835 137 HB ILE 18 HB ILE 18 4.971 -5.759 -6.510 138 HG12 ILE 18 HG12 ILE 18 3.925 -4.155 -7.984 139 HG13 ILE 18 HG13 ILE 18 2.459 -4.164 -6.974 140 HG21 ILE 18 HG21 ILE 18 2.238 -6.642 -7.405 141 HG22 ILE 18 HG22 ILE 18 3.616 -7.685 -7.106 142 HG23 ILE 18 HG23 ILE 18 3.666 -6.519 -8.434 143 HD11 ILE 18 HD11 ILE 18 3.698 -3.135 -5.217 144 HD12 ILE 18 HD12 ILE 18 3.780 -2.191 -6.703 145 HD13 ILE 18 HD13 ILE 18 5.162 -3.166 -6.186 146 H VAL 19 H VAL 19 5.407 -7.324 -4.566 147 HA VAL 19 HA VAL 19 4.446 -9.934 -4.988 148 HB VAL 19 HB VAL 19 6.688 -9.151 -3.115 149 HG11 VAL 19 HG11 VAL 19 6.069 -11.508 -2.949 150 HG12 VAL 19 HG12 VAL 19 7.663 -11.318 -3.676 151 HG13 VAL 19 HG13 VAL 19 6.273 -11.681 -4.694 152 HG21 VAL 19 HG21 VAL 19 8.181 -9.393 -5.085 153 HG22 VAL 19 HG22 VAL 19 7.064 -8.035 -5.156 154 HG23 VAL 19 HG23 VAL 19 6.724 -9.493 -6.100 155 H MET 20 H MET 20 4.915 -8.129 -2.007 156 HA MET 20 HA MET 20 4.089 -10.126 -0.177 157 HB2 MET 20 HB2 MET 20 3.979 -7.133 0.218 158 HB3 MET 20 HB3 MET 20 4.091 -8.401 1.439 159 HG2 MET 20 HG2 MET 20 6.221 -7.937 -0.614 160 HG3 MET 20 HG3 MET 20 6.209 -7.097 0.919 161 HE1 MET 20 HE1 MET 20 5.423 -9.038 3.114 162 HE2 MET 20 HE2 MET 20 6.927 -8.127 3.175 163 HE3 MET 20 HE3 MET 20 6.934 -9.859 3.506 164 H MET 21 H MET 21 2.460 -7.443 -1.724 165 HA MET 21 HA MET 21 -0.090 -7.422 -0.606 166 HB2 MET 21 HB2 MET 21 0.904 -5.825 -2.277 167 HB3 MET 21 HB3 MET 21 0.702 -7.082 -3.479 168 HG2 MET 21 HG2 MET 21 -1.014 -5.647 -3.913 169 HG3 MET 21 HG3 MET 21 -1.859 -6.855 -2.975 170 HE1 MET 21 HE1 MET 21 -2.450 -4.746 0.349 171 HE2 MET 21 HE2 MET 21 -1.214 -5.967 0.098 172 HE3 MET 21 HE3 MET 21 -2.870 -6.254 -0.467 173 H ARG 22 H ARG 22 1.104 -9.042 -3.479 174 HA ARG 22 HA ARG 22 -1.227 -10.446 -4.111 175 HB2 ARG 22 HB2 ARG 22 1.627 -10.705 -4.943 176 HB3 ARG 22 HB3 ARG 22 0.361 -11.761 -5.603 177 HG2 ARG 22 HG2 ARG 22 -0.758 -9.813 -6.508 178 HG3 ARG 22 HG3 ARG 22 0.419 -8.752 -5.740 179 HD2 ARG 22 HD2 ARG 22 2.187 -9.674 -7.086 180 HD3 ARG 22 HD3 ARG 22 1.112 -10.828 -7.842 181 HE ARG 22 HE ARG 22 0.673 -7.933 -8.077 182 HH11 ARG 22 HH11 ARG 22 1.222 -11.048 -9.708 183 HH12 ARG 22 HH12 ARG 22 1.031 -10.400 -11.267 184 HH21 ARG 22 HH21 ARG 22 0.483 -7.072 -10.255 185 HH22 ARG 22 HH22 ARG 22 0.661 -8.106 -11.590 186 H GLN 23 H GLN 23 1.554 -11.321 -2.093 187 HA GLN 23 HA GLN 23 1.063 -14.060 -1.792 188 HB2 GLN 23 HB2 GLN 23 1.972 -12.135 0.324 189 HB3 GLN 23 HB3 GLN 23 2.142 -13.883 0.355 190 HG2 GLN 23 HG2 GLN 23 3.488 -12.053 -1.593 191 HG3 GLN 23 HG3 GLN 23 4.206 -12.628 -0.116 192 HE21 GLN 23 HE21 GLN 23 5.830 -13.719 -1.084 193 HE22 GLN 23 HE22 GLN 23 5.577 -15.188 -1.958 194 H TYR 24 H TYR 24 0.089 -11.336 0.293 195 HA TYR 24 HA TYR 24 -1.473 -12.917 1.987 196 HB2 TYR 24 HB2 TYR 24 -0.480 -10.748 2.502 197 HB3 TYR 24 HB3 TYR 24 -1.633 -9.927 1.528 198 HD1 TYR 24 HD1 TYR 24 -4.071 -10.033 2.103 199 HD2 TYR 24 HD2 TYR 24 -1.089 -11.474 4.758 200 HE1 TYR 24 HE1 TYR 24 -5.668 -9.943 3.895 201 HE2 TYR 24 HE2 TYR 24 -2.702 -11.395 6.611 202 HH TYR 24 HH TYR 24 -6.041 -10.949 6.016 203 H LEU 25 H LEU 25 -2.274 -10.902 -0.679 204 HA LEU 25 HA LEU 25 -5.083 -11.209 -0.756 205 HB2 LEU 25 HB2 LEU 25 -3.194 -10.865 -3.071 206 HB3 LEU 25 HB3 LEU 25 -4.933 -10.880 -3.252 207 HG LEU 25 HG LEU 25 -3.358 -8.892 -1.647 208 HD11 LEU 25 HD11 LEU 25 -2.973 -8.642 -4.040 209 HD12 LEU 25 HD12 LEU 25 -3.984 -7.323 -3.442 210 HD13 LEU 25 HD13 LEU 25 -4.716 -8.653 -4.332 211 HD21 LEU 25 HD21 LEU 25 -6.301 -8.959 -2.359 212 HD22 LEU 25 HD22 LEU 25 -5.481 -7.608 -1.603 213 HD23 LEU 25 HD23 LEU 25 -5.616 -9.141 -0.739 214 H ALA 26 H ALA 26 -2.623 -13.375 -1.948 215 HA ALA 26 HA ALA 26 -4.487 -15.189 -3.183 216 HB1 ALA 26 HB1 ALA 26 -2.557 -16.679 -3.461 217 HB2 ALA 26 HB2 ALA 26 -1.613 -15.630 -2.399 218 HB3 ALA 26 HB3 ALA 26 -2.161 -15.029 -3.964 219 H GLY 27 H GLY 27 -3.787 -14.513 -0.027 220 HA2 GLY 27 HA2 GLY 27 -4.763 -15.489 1.807 221 HA3 GLY 27 HA3 GLY 27 -5.047 -16.930 0.843 222 H LYS 28 H LYS 28 -1.875 -15.539 0.776 223 HA LYS 28 HA LYS 28 -0.907 -17.836 2.278 224 HB2 LYS 28 HB2 LYS 28 0.816 -15.764 0.880 225 HB3 LYS 28 HB3 LYS 28 1.242 -17.368 1.386 226 HG2 LYS 28 HG2 LYS 28 -0.276 -18.318 -0.295 227 HG3 LYS 28 HG3 LYS 28 -0.666 -16.675 -0.820 228 HD2 LYS 28 HD2 LYS 28 0.992 -17.492 -2.330 229 HD3 LYS 28 HD3 LYS 28 1.786 -16.354 -1.233 230 HE2 LYS 28 HE2 LYS 28 2.671 -18.172 0.093 231 HE3 LYS 28 HE3 LYS 28 1.796 -19.342 -0.887 232 HZ1 LYS 28 HZ1 LYS 28 4.088 -19.235 -1.528 233 HZ2 LYS 28 HZ2 LYS 28 3.987 -17.581 -1.813 234 HZ3 LYS 28 HZ3 LYS 28 3.135 -18.659 -2.790 235 H THR 29 H THR 29 0.500 -17.557 3.972 236 HA THR 29 HA THR 29 0.163 -15.127 5.502 237 HB THR 29 HB THR 29 1.578 -17.712 6.217 238 HG1 THR 29 HG1 THR 29 -0.312 -18.459 6.847 239 HG21 THR 29 HG21 THR 29 1.212 -16.973 8.531 240 HG22 THR 29 HG22 THR 29 0.421 -15.510 7.948 241 HG23 THR 29 HG23 THR 29 2.140 -15.765 7.639 242 H VAL 30 H VAL 30 1.749 -13.609 5.468 243 HA VAL 30 HA VAL 30 4.170 -14.333 4.022 244 HB VAL 30 HB VAL 30 3.399 -11.521 4.562 245 HG11 VAL 30 HG11 VAL 30 4.352 -11.161 2.327 246 HG12 VAL 30 HG12 VAL 30 4.536 -12.896 2.153 247 HG13 VAL 30 HG13 VAL 30 5.468 -12.037 3.385 248 HG21 VAL 30 HG21 VAL 30 1.255 -12.415 3.862 249 HG22 VAL 30 HG22 VAL 30 1.999 -13.181 2.464 250 HG23 VAL 30 HG23 VAL 30 1.925 -11.421 2.566 251 H SER 31 H SER 31 5.841 -14.616 5.337 252 HA SER 31 HA SER 31 5.824 -13.751 8.046 253 HB2 SER 31 HB2 SER 31 6.854 -15.901 7.250 254 HB3 SER 31 HB3 SER 31 8.077 -14.961 6.412 255 HG SER 31 HG SER 31 7.602 -14.749 9.189 256 H GLY 32 H GLY 32 6.341 -11.744 8.682 257 HA2 GLY 32 HA2 GLY 32 7.820 -9.972 9.034 258 HA3 GLY 32 HA3 GLY 32 8.728 -10.476 7.620 259 H ILE 33 H ILE 33 5.271 -10.012 7.522 260 HA ILE 33 HA ILE 33 5.685 -7.710 5.769 261 HB ILE 33 HB ILE 33 4.361 -9.743 4.926 262 HG12 ILE 33 HG12 ILE 33 2.747 -7.182 5.061 263 HG13 ILE 33 HG13 ILE 33 4.076 -7.440 3.971 264 HG21 ILE 33 HG21 ILE 33 2.031 -10.010 5.677 265 HG22 ILE 33 HG22 ILE 33 2.338 -8.854 6.976 266 HG23 ILE 33 HG23 ILE 33 3.208 -10.387 6.931 267 HD11 ILE 33 HD11 ILE 33 1.963 -7.848 2.780 268 HD12 ILE 33 HD12 ILE 33 1.475 -9.010 3.997 269 HD13 ILE 33 HD13 ILE 33 2.833 -9.367 2.954 270 H ASP 34 H ASP 34 4.543 -5.771 6.253 271 HA ASP 34 HA ASP 34 3.500 -5.681 8.995 272 HB2 ASP 34 HB2 ASP 34 4.892 -3.671 7.957 273 HB3 ASP 34 HB3 ASP 34 3.410 -3.341 7.094 274 H LYS 35 H LYS 35 1.630 -6.524 9.106 275 HA LYS 35 HA LYS 35 -0.003 -7.077 6.912 276 HB2 LYS 35 HB2 LYS 35 0.200 -8.370 9.021 277 HB3 LYS 35 HB3 LYS 35 -0.733 -7.143 9.840 278 HG2 LYS 35 HG2 LYS 35 -1.800 -8.350 7.440 279 HG3 LYS 35 HG3 LYS 35 -1.847 -9.394 8.881 280 HD2 LYS 35 HD2 LYS 35 -3.181 -6.720 8.338 281 HD3 LYS 35 HD3 LYS 35 -3.990 -8.269 8.561 282 HE2 LYS 35 HE2 LYS 35 -3.165 -8.282 10.923 283 HE3 LYS 35 HE3 LYS 35 -2.510 -6.669 10.655 284 HZ1 LYS 35 HZ1 LYS 35 -4.645 -6.527 11.693 285 HZ2 LYS 35 HZ2 LYS 35 -5.356 -7.449 10.499 286 HZ3 LYS 35 HZ3 LYS 35 -4.770 -5.906 10.135 287 H ASN 36 H ASN 36 0.106 -4.392 8.939 288 HA ASN 36 HA ASN 36 -2.568 -3.417 8.511 289 HB2 ASN 36 HB2 ASN 36 -0.235 -1.866 9.607 290 HB3 ASN 36 HB3 ASN 36 -1.951 -1.616 9.890 291 HD21 ASN 36 HD21 ASN 36 0.845 -3.316 10.735 292 HD22 ASN 36 HD22 ASN 36 0.215 -4.155 12.116 293 H ALA 37 H ALA 37 0.522 -3.186 6.917 294 HA ALA 37 HA ALA 37 0.059 -0.569 5.792 295 HB1 ALA 37 HB1 ALA 37 2.196 -0.905 4.696 296 HB2 ALA 37 HB2 ALA 37 2.213 -2.589 5.222 297 HB3 ALA 37 HB3 ALA 37 2.308 -1.290 6.411 298 H LEU 38 H LEU 38 -1.128 -3.490 5.173 299 HA LEU 38 HA LEU 38 -1.032 -3.577 2.311 300 HB2 LEU 38 HB2 LEU 38 -2.549 -5.158 4.350 301 HB3 LEU 38 HB3 LEU 38 -2.863 -5.314 2.646 302 HG LEU 38 HG LEU 38 -0.550 -6.111 2.293 303 HD11 LEU 38 HD11 LEU 38 0.535 -5.017 4.124 304 HD12 LEU 38 HD12 LEU 38 0.772 -6.773 4.139 305 HD13 LEU 38 HD13 LEU 38 -0.380 -6.018 5.254 306 HD21 LEU 38 HD21 LEU 38 -2.316 -7.666 2.620 307 HD22 LEU 38 HD22 LEU 38 -2.134 -7.546 4.369 308 HD23 LEU 38 HD23 LEU 38 -0.842 -8.244 3.391 309 H ASP 39 H ASP 39 -3.182 -2.267 4.722 310 HA ASP 39 HA ASP 39 -5.260 -2.002 2.725 311 HB2 ASP 39 HB2 ASP 39 -5.950 -2.712 4.930 312 HB3 ASP 39 HB3 ASP 39 -5.261 -1.245 5.636 313 H ILE 40 H ILE 40 -4.167 -0.783 1.431 314 HA ILE 40 HA ILE 40 -2.940 1.667 2.137 315 HB ILE 40 HB ILE 40 -3.405 0.520 -0.639 316 HG12 ILE 40 HG12 ILE 40 -0.980 0.326 1.101 317 HG13 ILE 40 HG13 ILE 40 -2.208 -0.911 1.132 318 HG21 ILE 40 HG21 ILE 40 -1.499 1.931 -1.242 319 HG22 ILE 40 HG22 ILE 40 -1.409 2.533 0.421 320 HG23 ILE 40 HG23 ILE 40 -2.826 2.887 -0.574 321 HD11 ILE 40 HD11 ILE 40 -0.363 -1.551 -0.291 322 HD12 ILE 40 HD12 ILE 40 -0.606 -0.105 -1.285 323 HD13 ILE 40 HD13 ILE 40 -1.846 -1.364 -1.212 324 H ASN 41 H ASN 41 -6.040 0.820 0.669 325 HA ASN 41 HA ASN 41 -6.538 3.618 0.115 326 HB2 ASN 41 HB2 ASN 41 -8.676 2.990 -0.782 327 HB3 ASN 41 HB3 ASN 41 -7.525 1.785 -1.333 328 HD21 ASN 41 HD21 ASN 41 -10.415 1.768 -0.948 329 HD22 ASN 41 HD22 ASN 41 -10.744 0.375 0.027 330 H GLY 42 H GLY 42 -6.676 1.655 2.785 331 HA2 GLY 42 HA2 GLY 42 -7.328 2.089 4.943 332 HA3 GLY 42 HA3 GLY 42 -7.748 3.713 4.426 333 H ASP 43 H ASP 43 -8.989 0.416 3.915 334 HA ASP 43 HA ASP 43 -11.636 1.486 4.597 335 HB2 ASP 43 HB2 ASP 43 -12.740 -0.253 3.191 336 HB3 ASP 43 HB3 ASP 43 -11.763 0.856 2.252 337 H GLY 44 H GLY 44 -9.242 -0.682 5.490 338 HA2 GLY 44 HA2 GLY 44 -9.336 -1.649 7.661 339 HA3 GLY 44 HA3 GLY 44 -11.079 -1.790 7.474 340 H ALA 45 H ALA 45 -10.119 -2.807 4.591 341 HA ALA 45 HA ALA 45 -9.632 -5.567 5.468 342 HB1 ALA 45 HB1 ALA 45 -11.057 -6.310 3.597 343 HB2 ALA 45 HB2 ALA 45 -11.461 -4.623 3.266 344 HB3 ALA 45 HB3 ALA 45 -11.952 -5.368 4.789 345 H VAL 46 H VAL 46 -8.480 -6.887 3.816 346 HA VAL 46 HA VAL 46 -6.782 -5.199 2.222 347 HB VAL 46 HB VAL 46 -6.504 -8.110 2.985 348 HG11 VAL 46 HG11 VAL 46 -4.242 -7.847 2.162 349 HG12 VAL 46 HG12 VAL 46 -4.624 -6.145 1.774 350 HG13 VAL 46 HG13 VAL 46 -5.460 -7.462 0.926 351 HG21 VAL 46 HG21 VAL 46 -5.126 -5.677 4.143 352 HG22 VAL 46 HG22 VAL 46 -4.751 -7.355 4.539 353 HG23 VAL 46 HG23 VAL 46 -6.324 -6.680 4.963 354 H ASN 47 H ASN 47 -7.508 -4.954 0.271 355 HA ASN 47 HA ASN 47 -8.658 -7.199 -1.142 356 HB2 ASN 47 HB2 ASN 47 -10.473 -5.542 -2.007 357 HB3 ASN 47 HB3 ASN 47 -10.676 -6.316 -0.446 358 HD21 ASN 47 HD21 ASN 47 -11.952 -4.808 0.438 359 HD22 ASN 47 HD22 ASN 47 -11.453 -3.209 0.845 360 H GLY 48 H GLY 48 -9.298 -6.282 -3.496 361 HA2 GLY 48 HA2 GLY 48 -6.782 -5.874 -4.699 362 HA3 GLY 48 HA3 GLY 48 -8.301 -5.881 -5.558 363 H ARG 49 H ARG 49 -9.241 -3.759 -3.670 364 HA ARG 49 HA ARG 49 -8.750 -1.378 -5.017 365 HB2 ARG 49 HB2 ARG 49 -9.272 -1.813 -2.086 366 HB3 ARG 49 HB3 ARG 49 -9.300 -0.245 -2.862 367 HG2 ARG 49 HG2 ARG 49 -11.071 -2.527 -3.616 368 HG3 ARG 49 HG3 ARG 49 -11.498 -1.303 -2.432 369 HD2 ARG 49 HD2 ARG 49 -10.933 -0.932 -5.390 370 HD3 ARG 49 HD3 ARG 49 -12.471 -0.669 -4.570 371 HE ARG 49 HE ARG 49 -10.114 1.059 -4.533 372 HH11 ARG 49 HH11 ARG 49 -13.499 0.604 -3.485 373 HH12 ARG 49 HH12 ARG 49 -13.696 2.234 -3.073 374 HH21 ARG 49 HH21 ARG 49 -10.477 3.324 -3.953 375 HH22 ARG 49 HH22 ARG 49 -11.995 3.762 -3.320 376 H ASP 50 H ASP 50 -7.111 -2.781 -2.228 377 HA ASP 50 HA ASP 50 -5.284 -0.675 -1.776 378 HB2 ASP 50 HB2 ASP 50 -4.990 -3.580 -1.000 379 HB3 ASP 50 HB3 ASP 50 -4.167 -2.174 -0.323 380 H LEU 51 H LEU 51 -5.226 -3.639 -3.544 381 HA LEU 51 HA LEU 51 -2.518 -3.662 -4.323 382 HB2 LEU 51 HB2 LEU 51 -3.882 -5.635 -4.632 383 HB3 LEU 51 HB3 LEU 51 -4.976 -4.761 -5.665 384 HG LEU 51 HG LEU 51 -3.328 -4.693 -7.460 385 HD11 LEU 51 HD11 LEU 51 -1.266 -4.609 -6.030 386 HD12 LEU 51 HD12 LEU 51 -1.198 -5.782 -7.338 387 HD13 LEU 51 HD13 LEU 51 -1.504 -6.335 -5.701 388 HD21 LEU 51 HD21 LEU 51 -3.602 -7.411 -6.249 389 HD22 LEU 51 HD22 LEU 51 -3.232 -7.079 -7.945 390 HD23 LEU 51 HD23 LEU 51 -4.805 -6.623 -7.268 391 H MET 52 H MET 52 -5.379 -2.310 -5.835 392 HA MET 52 HA MET 52 -4.109 -1.182 -8.113 393 HB2 MET 52 HB2 MET 52 -6.686 -0.407 -6.742 394 HB3 MET 52 HB3 MET 52 -6.173 0.216 -8.303 395 HG2 MET 52 HG2 MET 52 -6.235 -2.028 -9.233 396 HG3 MET 52 HG3 MET 52 -6.672 -2.672 -7.652 397 HE1 MET 52 HE1 MET 52 -8.704 -3.946 -8.676 398 HE2 MET 52 HE2 MET 52 -8.277 -3.334 -10.275 399 HE3 MET 52 HE3 MET 52 -9.934 -3.188 -9.688 400 H GLU 53 H GLU 53 -4.680 0.008 -4.882 401 HA GLU 53 HA GLU 53 -3.783 2.658 -5.286 402 HB2 GLU 53 HB2 GLU 53 -3.720 0.947 -2.807 403 HB3 GLU 53 HB3 GLU 53 -3.337 2.656 -2.848 404 HG2 GLU 53 HG2 GLU 53 -5.999 1.443 -3.533 405 HG3 GLU 53 HG3 GLU 53 -5.580 2.220 -2.009 406 H LEU 54 H LEU 54 -2.231 -0.318 -4.237 407 HA LEU 54 HA LEU 54 0.312 0.643 -3.753 408 HB2 LEU 54 HB2 LEU 54 -0.597 -1.581 -3.142 409 HB3 LEU 54 HB3 LEU 54 -0.454 -2.050 -4.812 410 HG LEU 54 HG LEU 54 1.953 -1.875 -4.743 411 HD11 LEU 54 HD11 LEU 54 3.109 -1.433 -2.627 412 HD12 LEU 54 HD12 LEU 54 1.556 -1.076 -1.868 413 HD13 LEU 54 HD13 LEU 54 2.167 -0.040 -3.154 414 HD21 LEU 54 HD21 LEU 54 2.391 -3.694 -3.185 415 HD22 LEU 54 HD22 LEU 54 0.908 -3.959 -4.105 416 HD23 LEU 54 HD23 LEU 54 0.821 -3.423 -2.431 417 H ILE 55 H ILE 55 -1.036 -0.804 -6.652 418 HA ILE 55 HA ILE 55 1.183 -0.543 -8.411 419 HB ILE 55 HB ILE 55 -1.761 -0.235 -9.113 420 HG12 ILE 55 HG12 ILE 55 -0.031 -2.728 -9.206 421 HG13 ILE 55 HG13 ILE 55 -1.207 -2.367 -7.955 422 HG21 ILE 55 HG21 ILE 55 -0.283 0.569 -10.906 423 HG22 ILE 55 HG22 ILE 55 -1.075 -0.930 -11.397 424 HG23 ILE 55 HG23 ILE 55 0.608 -0.953 -10.868 425 HD11 ILE 55 HD11 ILE 55 -2.073 -3.973 -9.569 426 HD12 ILE 55 HD12 ILE 55 -1.847 -2.801 -10.871 427 HD13 ILE 55 HD13 ILE 55 -3.010 -2.485 -9.584 428 H LYS 56 H LYS 56 -1.329 1.773 -7.595 429 HA LYS 56 HA LYS 56 -0.423 3.893 -9.179 430 HB2 LYS 56 HB2 LYS 56 -2.580 4.048 -8.202 431 HB3 LYS 56 HB3 LYS 56 -1.934 3.753 -6.599 432 HG2 LYS 56 HG2 LYS 56 -1.012 5.920 -6.466 433 HG3 LYS 56 HG3 LYS 56 -1.355 6.267 -8.170 434 HD2 LYS 56 HD2 LYS 56 -3.012 7.367 -6.772 435 HD3 LYS 56 HD3 LYS 56 -3.767 6.036 -7.657 436 HE2 LYS 56 HE2 LYS 56 -3.603 4.623 -5.680 437 HE3 LYS 56 HE3 LYS 56 -2.848 5.940 -4.786 438 HZ1 LYS 56 HZ1 LYS 56 -5.201 5.685 -4.339 439 HZ2 LYS 56 HZ2 LYS 56 -5.574 5.988 -5.949 440 HZ3 LYS 56 HZ3 LYS 56 -4.870 7.208 -5.000 441 H LYS 57 H LYS 57 0.376 3.116 -5.818 442 HA LYS 57 HA LYS 57 2.093 5.283 -5.261 443 HB2 LYS 57 HB2 LYS 57 2.421 2.484 -4.180 444 HB3 LYS 57 HB3 LYS 57 2.963 3.966 -3.431 445 HG2 LYS 57 HG2 LYS 57 0.116 3.018 -3.750 446 HG3 LYS 57 HG3 LYS 57 1.088 3.090 -2.277 447 HD2 LYS 57 HD2 LYS 57 0.258 5.478 -3.917 448 HD3 LYS 57 HD3 LYS 57 -0.583 4.906 -2.483 449 HE2 LYS 57 HE2 LYS 57 1.398 5.182 -1.140 450 HE3 LYS 57 HE3 LYS 57 2.309 5.778 -2.526 451 HZ1 LYS 57 HZ1 LYS 57 0.717 7.645 -2.660 452 HZ2 LYS 57 HZ2 LYS 57 1.509 7.613 -1.172 453 HZ3 LYS 57 HZ3 LYS 57 -0.063 7.043 -1.294 454 H VAL 58 H VAL 58 2.813 2.026 -6.359 455 HA VAL 58 HA VAL 58 5.600 2.362 -6.475 456 HB VAL 58 HB VAL 58 3.679 0.276 -7.383 457 HG11 VAL 58 HG11 VAL 58 5.598 -1.271 -7.546 458 HG12 VAL 58 HG12 VAL 58 6.687 0.060 -7.154 459 HG13 VAL 58 HG13 VAL 58 5.796 0.071 -8.680 460 HG21 VAL 58 HG21 VAL 58 4.533 -0.901 -5.350 461 HG22 VAL 58 HG22 VAL 58 3.707 0.616 -5.030 462 HG23 VAL 58 HG23 VAL 58 5.467 0.548 -4.985 463 H SER 59 H SER 59 3.044 2.678 -8.878 464 HA SER 59 HA SER 59 4.953 2.665 -10.985 465 HB2 SER 59 HB2 SER 59 3.080 3.476 -12.499 466 HB3 SER 59 HB3 SER 59 2.724 1.987 -11.638 467 HG SER 59 HG SER 59 1.432 3.077 -10.258 468 H ASN 60 H ASN 60 3.365 5.015 -9.020 469 HA ASN 60 HA ASN 60 4.153 7.409 -10.175 470 HB2 ASN 60 HB2 ASN 60 2.406 7.217 -8.523 471 HB3 ASN 60 HB3 ASN 60 3.545 6.595 -7.344 472 HD21 ASN 60 HD21 ASN 60 2.487 9.251 -9.090 473 HD22 ASN 60 HD22 ASN 60 3.195 10.509 -8.128 474 H ASN 61 H ASN 61 5.613 5.438 -7.613 475 HA ASN 61 HA ASN 61 7.832 7.297 -7.552 476 HB2 ASN 61 HB2 ASN 61 6.732 6.728 -5.438 477 HB3 ASN 61 HB3 ASN 61 7.192 5.044 -5.669 478 HD21 ASN 61 HD21 ASN 61 8.415 4.923 -3.909 479 HD22 ASN 61 HD22 ASN 61 9.929 5.754 -3.713 480 H THR 62 H THR 62 7.978 3.724 -6.980 481 HA THR 62 HA THR 62 9.923 3.454 -9.101 482 HB THR 62 HB THR 62 10.684 2.992 -6.196 483 HG1 THR 62 HG1 THR 62 10.876 5.151 -7.843 484 HG21 THR 62 HG21 THR 62 12.934 2.585 -7.087 485 HG22 THR 62 HG22 THR 62 12.329 2.790 -8.734 486 HG23 THR 62 HG23 THR 62 11.776 1.433 -7.750 487 H SER 63 H SER 63 9.812 1.365 -9.874 488 HA SER 63 HA SER 63 8.280 -0.539 -8.292 489 HB2 SER 63 HB2 SER 63 9.032 -0.621 -11.222 490 HB3 SER 63 HB3 SER 63 7.895 -1.682 -10.392 491 HG SER 63 HG SER 63 7.209 0.835 -9.898 Start of MODEL 8 1 H1 GLY -3 H1 GLY -3 -3.206 -1.921 17.126 2 H2 GLY -3 H2 GLY -3 -4.589 -2.535 16.369 3 H3 GLY -3 H3 GLY -3 -3.815 -1.156 15.760 4 HA2 GLY -3 HA3 GLY -3 -2.649 -3.857 15.846 5 HA3 GLY -3 HA2 GLY -3 -3.280 -3.056 14.408 6 H SER -2 H SER -2 -1.510 -2.680 13.226 7 HA SER -2 HA SER -2 0.307 -1.700 12.448 8 HB2 SER -2 HB2 SER -2 -0.359 0.366 13.759 9 HB3 SER -2 HB3 SER -2 0.614 -0.223 15.099 10 HG SER -2 HG SER -2 1.677 0.085 12.535 11 H ALA -1 H ALA -1 2.531 -2.143 12.316 12 HA ALA -1 HA ALA -1 3.561 -3.837 14.465 13 HB1 ALA -1 HB1 ALA -1 4.019 -4.182 11.493 14 HB2 ALA -1 HB2 ALA -1 3.021 -5.224 12.510 15 HB3 ALA -1 HB3 ALA -1 4.763 -5.153 12.763 16 H SER 0 H SER 0 4.671 -2.274 15.448 17 HA SER 0 HA SER 0 6.354 -0.923 16.025 18 HB2 SER 0 HB2 SER 0 7.557 -1.805 13.424 19 HB3 SER 0 HB3 SER 0 8.469 -0.935 14.677 20 HG SER 0 HG SER 0 7.092 -3.184 15.504 21 H ASN 1 H ASN 1 5.930 -0.444 12.555 22 HA ASN 1 HA ASN 1 4.824 2.137 12.885 23 HB2 ASN 1 HB2 ASN 1 7.229 2.745 13.070 24 HB3 ASN 1 HB3 ASN 1 7.549 1.945 11.537 25 HD21 ASN 1 HD21 ASN 1 6.989 2.995 9.627 26 HD22 ASN 1 HD22 ASN 1 6.450 4.635 9.571 27 H THR 2 H THR 2 3.209 1.619 11.702 28 HA THR 2 HA THR 2 3.479 0.067 9.316 29 HB THR 2 HB THR 2 1.100 1.306 10.686 30 HG1 THR 2 HG1 THR 2 2.119 -1.321 10.378 31 HG21 THR 2 HG21 THR 2 0.758 1.138 8.220 32 HG22 THR 2 HG22 THR 2 -0.307 0.078 9.129 33 HG23 THR 2 HG23 THR 2 1.117 -0.589 8.314 34 H ILE 3 H ILE 3 3.835 0.838 7.458 35 HA ILE 3 HA ILE 3 3.207 3.607 6.835 36 HB ILE 3 HB ILE 3 5.533 3.484 7.052 37 HG12 ILE 3 HG12 ILE 3 4.991 3.149 4.082 38 HG13 ILE 3 HG13 ILE 3 4.890 4.649 4.991 39 HG21 ILE 3 HG21 ILE 3 6.982 1.767 5.936 40 HG22 ILE 3 HG22 ILE 3 5.492 0.855 5.620 41 HG23 ILE 3 HG23 ILE 3 5.968 1.211 7.266 42 HD11 ILE 3 HD11 ILE 3 7.297 4.587 5.390 43 HD12 ILE 3 HD12 ILE 3 6.954 4.515 3.664 44 HD13 ILE 3 HD13 ILE 3 7.414 3.054 4.534 45 H LEU 4 H LEU 4 1.364 3.459 5.640 46 HA LEU 4 HA LEU 4 0.496 1.244 4.228 47 HB2 LEU 4 HB2 LEU 4 -0.262 4.129 3.783 48 HB3 LEU 4 HB3 LEU 4 -1.184 2.718 3.315 49 HG LEU 4 HG LEU 4 -0.674 3.682 6.124 50 HD11 LEU 4 HD11 LEU 4 -3.196 3.516 4.516 51 HD12 LEU 4 HD12 LEU 4 -2.324 4.984 4.951 52 HD13 LEU 4 HD13 LEU 4 -3.082 4.000 6.205 53 HD21 LEU 4 HD21 LEU 4 -0.644 1.283 6.103 54 HD22 LEU 4 HD22 LEU 4 -2.159 1.230 5.186 55 HD23 LEU 4 HD23 LEU 4 -2.141 1.847 6.842 56 H GLY 5 H GLY 5 1.198 0.392 2.429 57 HA2 GLY 5 HA2 GLY 5 1.552 0.648 0.062 58 HA3 GLY 5 HA3 GLY 5 2.377 2.166 0.395 59 H ASP 6 H ASP 6 3.652 0.754 2.831 60 HA ASP 6 HA ASP 6 5.624 -0.689 1.266 61 HB2 ASP 6 HB2 ASP 6 6.522 1.426 2.017 62 HB3 ASP 6 HB3 ASP 6 6.037 1.086 3.671 63 H LEU 7 H LEU 7 4.843 -2.561 1.496 64 HA LEU 7 HA LEU 7 3.776 -3.692 3.887 65 HB2 LEU 7 HB2 LEU 7 4.244 -4.701 1.109 66 HB3 LEU 7 HB3 LEU 7 3.630 -5.727 2.378 67 HG LEU 7 HG LEU 7 1.596 -4.293 2.521 68 HD11 LEU 7 HD11 LEU 7 2.695 -2.881 0.103 69 HD12 LEU 7 HD12 LEU 7 2.544 -2.172 1.706 70 HD13 LEU 7 HD13 LEU 7 1.099 -2.664 0.816 71 HD21 LEU 7 HD21 LEU 7 0.655 -4.957 0.402 72 HD22 LEU 7 HD22 LEU 7 1.614 -6.248 1.145 73 HD23 LEU 7 HD23 LEU 7 2.269 -5.317 -0.198 74 H ASN 8 H ASN 8 6.735 -4.006 1.995 75 HA ASN 8 HA ASN 8 7.650 -6.205 3.694 76 HB2 ASN 8 HB2 ASN 8 9.581 -6.451 2.229 77 HB3 ASN 8 HB3 ASN 8 8.141 -6.359 1.241 78 HD21 ASN 8 HD21 ASN 8 10.807 -5.908 0.425 79 HD22 ASN 8 HD22 ASN 8 10.964 -4.285 -0.113 80 H ASP 9 H ASP 9 7.637 -2.972 3.841 81 HA ASP 9 HA ASP 9 8.490 -1.465 5.161 82 HB2 ASP 9 HB2 ASP 9 7.803 -2.987 6.965 83 HB3 ASP 9 HB3 ASP 9 9.355 -3.803 6.854 84 H ASP 10 H ASP 10 9.828 -1.234 3.281 85 HA ASP 10 HA ASP 10 12.645 -1.329 4.069 86 HB2 ASP 10 HB2 ASP 10 13.366 -1.709 1.747 87 HB3 ASP 10 HB3 ASP 10 12.254 -2.960 2.278 88 H GLY 11 H GLY 11 10.119 0.603 3.630 89 HA2 GLY 11 HA2 GLY 11 10.195 2.875 4.083 90 HA3 GLY 11 HA3 GLY 11 11.870 2.919 3.568 91 H VAL 12 H VAL 12 9.962 1.361 1.313 92 HA VAL 12 HA VAL 12 9.265 3.801 -0.066 93 HB VAL 12 HB VAL 12 11.637 3.621 -0.543 94 HG11 VAL 12 HG11 VAL 12 11.967 1.308 -0.153 95 HG12 VAL 12 HG12 VAL 12 12.640 1.738 -1.732 96 HG13 VAL 12 HG13 VAL 12 11.104 0.864 -1.625 97 HG21 VAL 12 HG21 VAL 12 9.987 2.884 -2.955 98 HG22 VAL 12 HG22 VAL 12 11.617 3.558 -3.015 99 HG23 VAL 12 HG23 VAL 12 10.291 4.512 -2.349 100 H VAL 13 H VAL 13 7.685 3.506 -1.635 101 HA VAL 13 HA VAL 13 6.390 0.983 -1.694 102 HB VAL 13 HB VAL 13 4.817 2.209 -3.297 103 HG11 VAL 13 HG11 VAL 13 4.367 2.039 -0.888 104 HG12 VAL 13 HG12 VAL 13 3.856 3.617 -1.489 105 HG13 VAL 13 HG13 VAL 13 5.367 3.457 -0.593 106 HG21 VAL 13 HG21 VAL 13 4.977 4.651 -3.426 107 HG22 VAL 13 HG22 VAL 13 6.438 3.921 -4.092 108 HG23 VAL 13 HG23 VAL 13 6.457 4.627 -2.478 109 H ASN 14 H ASN 14 7.416 -0.552 -2.760 110 HA ASN 14 HA ASN 14 8.337 -0.001 -5.468 111 HB2 ASN 14 HB2 ASN 14 10.363 -1.350 -5.126 112 HB3 ASN 14 HB3 ASN 14 10.334 0.036 -4.077 113 HD21 ASN 14 HD21 ASN 14 11.895 -2.190 -3.833 114 HD22 ASN 14 HD22 ASN 14 11.537 -2.831 -2.269 115 H GLY 15 H GLY 15 9.138 -2.276 -6.433 116 HA2 GLY 15 HA2 GLY 15 6.715 -3.622 -7.014 117 HA3 GLY 15 HA3 GLY 15 8.266 -4.123 -7.562 118 H ARG 16 H ARG 16 9.076 -4.150 -4.630 119 HA ARG 16 HA ARG 16 8.678 -6.938 -4.151 120 HB2 ARG 16 HB2 ARG 16 9.585 -4.820 -2.223 121 HB3 ARG 16 HB3 ARG 16 9.826 -6.545 -2.035 122 HG2 ARG 16 HG2 ARG 16 11.026 -4.817 -4.186 123 HG3 ARG 16 HG3 ARG 16 11.853 -5.413 -2.750 124 HD2 ARG 16 HD2 ARG 16 11.724 -7.636 -3.486 125 HD3 ARG 16 HD3 ARG 16 10.595 -7.221 -4.778 126 HE ARG 16 HE ARG 16 13.017 -5.803 -5.000 127 HH11 ARG 16 HH11 ARG 16 11.683 -9.053 -5.505 128 HH12 ARG 16 HH12 ARG 16 12.660 -9.394 -6.854 129 HH21 ARG 16 HH21 ARG 16 14.310 -6.245 -6.876 130 HH22 ARG 16 HH22 ARG 16 14.182 -7.739 -7.680 131 H ASP 17 H ASP 17 7.057 -4.010 -3.153 132 HA ASP 17 HA ASP 17 5.594 -5.136 -1.010 133 HB2 ASP 17 HB2 ASP 17 4.996 -2.737 -2.730 134 HB3 ASP 17 HB3 ASP 17 4.143 -3.160 -1.255 135 H ILE 18 H ILE 18 4.998 -4.600 -4.432 136 HA ILE 18 HA ILE 18 2.458 -5.514 -4.776 137 HB ILE 18 HB ILE 18 4.925 -5.748 -6.499 138 HG12 ILE 18 HG12 ILE 18 3.736 -4.240 -7.984 139 HG13 ILE 18 HG13 ILE 18 2.338 -4.274 -6.881 140 HG21 ILE 18 HG21 ILE 18 2.219 -6.766 -7.326 141 HG22 ILE 18 HG22 ILE 18 3.652 -7.741 -7.055 142 HG23 ILE 18 HG23 ILE 18 3.611 -6.580 -8.391 143 HD11 ILE 18 HD11 ILE 18 3.592 -2.247 -6.690 144 HD12 ILE 18 HD12 ILE 18 5.053 -3.175 -6.301 145 HD13 ILE 18 HD13 ILE 18 3.686 -3.198 -5.210 146 H VAL 19 H VAL 19 5.365 -7.376 -4.473 147 HA VAL 19 HA VAL 19 4.304 -9.975 -4.882 148 HB VAL 19 HB VAL 19 6.603 -9.309 -3.044 149 HG11 VAL 19 HG11 VAL 19 5.878 -11.628 -2.957 150 HG12 VAL 19 HG12 VAL 19 7.466 -11.498 -3.712 151 HG13 VAL 19 HG13 VAL 19 6.036 -11.758 -4.710 152 HG21 VAL 19 HG21 VAL 19 8.062 -9.516 -5.041 153 HG22 VAL 19 HG22 VAL 19 6.970 -8.129 -5.060 154 HG23 VAL 19 HG23 VAL 19 6.589 -9.552 -6.041 155 H MET 20 H MET 20 5.013 -8.252 -1.910 156 HA MET 20 HA MET 20 4.090 -10.099 -0.006 157 HB2 MET 20 HB2 MET 20 3.867 -7.101 0.269 158 HB3 MET 20 HB3 MET 20 4.054 -8.324 1.527 159 HG2 MET 20 HG2 MET 20 6.143 -7.793 -0.555 160 HG3 MET 20 HG3 MET 20 6.106 -6.912 0.947 161 HE1 MET 20 HE1 MET 20 5.329 -8.982 3.126 162 HE2 MET 20 HE2 MET 20 6.718 -7.918 3.276 163 HE3 MET 20 HE3 MET 20 6.892 -9.648 3.585 164 H MET 21 H MET 21 2.474 -7.449 -1.615 165 HA MET 21 HA MET 21 -0.079 -7.367 -0.547 166 HB2 MET 21 HB2 MET 21 0.920 -5.814 -2.213 167 HB3 MET 21 HB3 MET 21 0.807 -7.094 -3.404 168 HG2 MET 21 HG2 MET 21 -0.923 -5.758 -3.971 169 HG3 MET 21 HG3 MET 21 -1.782 -6.911 -2.968 170 HE1 MET 21 HE1 MET 21 -2.447 -4.618 0.195 171 HE2 MET 21 HE2 MET 21 -1.155 -5.789 0.039 172 HE3 MET 21 HE3 MET 21 -2.789 -6.194 -0.522 173 H ARG 22 H ARG 22 1.068 -9.065 -3.401 174 HA ARG 22 HA ARG 22 -1.306 -10.424 -3.990 175 HB2 ARG 22 HB2 ARG 22 1.531 -10.772 -4.860 176 HB3 ARG 22 HB3 ARG 22 0.220 -11.790 -5.488 177 HG2 ARG 22 HG2 ARG 22 -0.829 -9.843 -6.437 178 HG3 ARG 22 HG3 ARG 22 0.357 -8.787 -5.669 179 HD2 ARG 22 HD2 ARG 22 2.132 -9.848 -6.954 180 HD3 ARG 22 HD3 ARG 22 0.984 -10.892 -7.765 181 HE ARG 22 HE ARG 22 0.690 -7.989 -7.944 182 HH11 ARG 22 HH11 ARG 22 1.280 -11.063 -9.630 183 HH12 ARG 22 HH12 ARG 22 1.422 -10.348 -11.157 184 HH21 ARG 22 HH21 ARG 22 0.931 -7.009 -10.119 185 HH22 ARG 22 HH22 ARG 22 1.221 -8.014 -11.436 186 H GLN 23 H GLN 23 1.502 -11.345 -2.033 187 HA GLN 23 HA GLN 23 1.013 -14.074 -1.773 188 HB2 GLN 23 HB2 GLN 23 1.983 -12.191 0.328 189 HB3 GLN 23 HB3 GLN 23 2.193 -13.932 0.338 190 HG2 GLN 23 HG2 GLN 23 3.448 -11.971 -1.553 191 HG3 GLN 23 HG3 GLN 23 4.234 -12.758 -0.216 192 HE21 GLN 23 HE21 GLN 23 5.777 -13.807 -1.383 193 HE22 GLN 23 HE22 GLN 23 5.380 -15.087 -2.482 194 H TYR 24 H TYR 24 0.052 -11.399 0.357 195 HA TYR 24 HA TYR 24 -1.452 -12.993 2.110 196 HB2 TYR 24 HB2 TYR 24 -0.446 -10.782 2.545 197 HB3 TYR 24 HB3 TYR 24 -1.673 -10.028 1.591 198 HD1 TYR 24 HD1 TYR 24 -4.040 -10.062 2.327 199 HD2 TYR 24 HD2 TYR 24 -0.920 -11.541 4.786 200 HE1 TYR 24 HE1 TYR 24 -5.518 -9.932 4.217 201 HE2 TYR 24 HE2 TYR 24 -2.397 -11.427 6.737 202 HH TYR 24 HH TYR 24 -5.742 -10.940 6.453 203 H LEU 25 H LEU 25 -2.307 -10.948 -0.533 204 HA LEU 25 HA LEU 25 -5.114 -11.305 -0.599 205 HB2 LEU 25 HB2 LEU 25 -3.252 -10.883 -2.932 206 HB3 LEU 25 HB3 LEU 25 -4.992 -10.888 -3.075 207 HG LEU 25 HG LEU 25 -3.398 -8.922 -1.438 208 HD11 LEU 25 HD11 LEU 25 -3.007 -8.644 -3.828 209 HD12 LEU 25 HD12 LEU 25 -3.996 -7.326 -3.197 210 HD13 LEU 25 HD13 LEU 25 -4.750 -8.624 -4.116 211 HD21 LEU 25 HD21 LEU 25 -5.487 -7.641 -1.345 212 HD22 LEU 25 HD22 LEU 25 -5.686 -9.212 -0.569 213 HD23 LEU 25 HD23 LEU 25 -6.327 -8.929 -2.195 214 H ALA 26 H ALA 26 -2.603 -13.354 -1.946 215 HA ALA 26 HA ALA 26 -4.378 -15.217 -3.194 216 HB1 ALA 26 HB1 ALA 26 -2.424 -16.674 -3.398 217 HB2 ALA 26 HB2 ALA 26 -1.550 -15.652 -2.257 218 HB3 ALA 26 HB3 ALA 26 -1.998 -15.013 -3.839 219 H GLY 27 H GLY 27 -3.315 -14.714 0.012 220 HA2 GLY 27 HA2 GLY 27 -4.522 -15.657 1.804 221 HA3 GLY 27 HA3 GLY 27 -4.739 -17.087 0.802 222 H LYS 28 H LYS 28 -1.593 -15.623 0.907 223 HA LYS 28 HA LYS 28 -0.601 -17.968 2.308 224 HB2 LYS 28 HB2 LYS 28 1.048 -15.724 1.035 225 HB3 LYS 28 HB3 LYS 28 1.601 -17.241 1.663 226 HG2 LYS 28 HG2 LYS 28 0.379 -18.420 -0.102 227 HG3 LYS 28 HG3 LYS 28 -0.131 -16.829 -0.719 228 HD2 LYS 28 HD2 LYS 28 2.159 -16.157 -1.015 229 HD3 LYS 28 HD3 LYS 28 2.725 -17.680 -0.337 230 HE2 LYS 28 HE2 LYS 28 1.790 -18.889 -2.210 231 HE3 LYS 28 HE3 LYS 28 1.111 -17.392 -2.863 232 HZ1 LYS 28 HZ1 LYS 28 3.333 -16.527 -3.106 233 HZ2 LYS 28 HZ2 LYS 28 3.201 -17.966 -3.955 234 HZ3 LYS 28 HZ3 LYS 28 4.012 -17.924 -2.477 235 H THR 29 H THR 29 0.929 -17.709 4.008 236 HA THR 29 HA THR 29 0.368 -15.420 5.737 237 HB THR 29 HB THR 29 1.998 -17.910 6.356 238 HG1 THR 29 HG1 THR 29 -0.764 -17.467 6.304 239 HG21 THR 29 HG21 THR 29 2.393 -16.007 7.854 240 HG22 THR 29 HG22 THR 29 1.546 -17.298 8.704 241 HG23 THR 29 HG23 THR 29 0.661 -15.876 8.156 242 H VAL 30 H VAL 30 1.740 -13.743 5.405 243 HA VAL 30 HA VAL 30 4.251 -14.314 4.065 244 HB VAL 30 HB VAL 30 3.283 -11.554 4.651 245 HG11 VAL 30 HG11 VAL 30 4.345 -11.049 2.487 246 HG12 VAL 30 HG12 VAL 30 4.783 -12.744 2.334 247 HG13 VAL 30 HG13 VAL 30 5.456 -11.777 3.648 248 HG21 VAL 30 HG21 VAL 30 1.985 -11.522 2.551 249 HG22 VAL 30 HG22 VAL 30 1.285 -12.589 3.770 250 HG23 VAL 30 HG23 VAL 30 2.196 -13.268 2.418 251 H SER 31 H SER 31 6.003 -14.449 5.230 252 HA SER 31 HA SER 31 6.114 -13.610 7.947 253 HB2 SER 31 HB2 SER 31 7.245 -15.639 7.212 254 HB3 SER 31 HB3 SER 31 8.240 -14.713 6.092 255 HG SER 31 HG SER 31 8.260 -14.447 8.941 256 H GLY 32 H GLY 32 6.701 -11.700 8.679 257 HA2 GLY 32 HA2 GLY 32 7.924 -9.779 8.941 258 HA3 GLY 32 HA3 GLY 32 8.814 -10.195 7.486 259 H ILE 33 H ILE 33 5.333 -9.963 7.572 260 HA ILE 33 HA ILE 33 5.559 -7.682 5.770 261 HB ILE 33 HB ILE 33 4.293 -9.786 5.018 262 HG12 ILE 33 HG12 ILE 33 2.610 -7.274 5.165 263 HG13 ILE 33 HG13 ILE 33 3.918 -7.502 4.040 264 HG21 ILE 33 HG21 ILE 33 2.289 -8.910 7.097 265 HG22 ILE 33 HG22 ILE 33 3.225 -10.404 7.105 266 HG23 ILE 33 HG23 ILE 33 2.010 -10.129 5.855 267 HD11 ILE 33 HD11 ILE 33 1.360 -9.127 4.159 268 HD12 ILE 33 HD12 ILE 33 2.715 -9.506 3.119 269 HD13 ILE 33 HD13 ILE 33 1.832 -8.009 2.879 270 H ASP 34 H ASP 34 4.444 -5.777 6.254 271 HA ASP 34 HA ASP 34 3.335 -5.636 8.968 272 HB2 ASP 34 HB2 ASP 34 4.748 -3.672 7.949 273 HB3 ASP 34 HB3 ASP 34 3.360 -3.407 6.926 274 H LYS 35 H LYS 35 1.434 -6.608 8.944 275 HA LYS 35 HA LYS 35 -0.104 -7.098 6.671 276 HB2 LYS 35 HB2 LYS 35 0.069 -8.395 8.806 277 HB3 LYS 35 HB3 LYS 35 -1.038 -7.233 9.519 278 HG2 LYS 35 HG2 LYS 35 -2.672 -7.841 7.706 279 HG3 LYS 35 HG3 LYS 35 -1.563 -9.108 7.239 280 HD2 LYS 35 HD2 LYS 35 -2.865 -8.867 9.960 281 HD3 LYS 35 HD3 LYS 35 -3.275 -10.037 8.708 282 HE2 LYS 35 HE2 LYS 35 -0.999 -10.986 8.864 283 HE3 LYS 35 HE3 LYS 35 -0.616 -9.820 10.126 284 HZ1 LYS 35 HZ1 LYS 35 -2.396 -10.808 11.472 285 HZ2 LYS 35 HZ2 LYS 35 -1.170 -11.879 11.125 286 HZ3 LYS 35 HZ3 LYS 35 -2.623 -11.996 10.293 287 H ASN 36 H ASN 36 0.014 -4.337 8.654 288 HA ASN 36 HA ASN 36 -2.725 -3.484 8.262 289 HB2 ASN 36 HB2 ASN 36 -0.422 -1.952 9.448 290 HB3 ASN 36 HB3 ASN 36 -2.143 -1.699 9.711 291 HD21 ASN 36 HD21 ASN 36 0.635 -3.527 10.461 292 HD22 ASN 36 HD22 ASN 36 0.021 -4.385 11.839 293 H ALA 37 H ALA 37 0.460 -3.185 6.875 294 HA ALA 37 HA ALA 37 0.098 -0.571 5.728 295 HB1 ALA 37 HB1 ALA 37 2.312 -1.381 6.402 296 HB2 ALA 37 HB2 ALA 37 2.260 -0.940 4.698 297 HB3 ALA 37 HB3 ALA 37 2.209 -2.642 5.171 298 H LEU 38 H LEU 38 -0.980 -3.560 4.990 299 HA LEU 38 HA LEU 38 -0.901 -3.456 2.140 300 HB2 LEU 38 HB2 LEU 38 -2.472 -5.191 4.033 301 HB3 LEU 38 HB3 LEU 38 -2.660 -5.286 2.303 302 HG LEU 38 HG LEU 38 -0.247 -5.920 2.143 303 HD11 LEU 38 HD11 LEU 38 -0.547 -6.087 5.068 304 HD12 LEU 38 HD12 LEU 38 0.545 -5.033 4.160 305 HD13 LEU 38 HD13 LEU 38 0.766 -6.795 4.133 306 HD21 LEU 38 HD21 LEU 38 -0.593 -8.171 2.932 307 HD22 LEU 38 HD22 LEU 38 -1.992 -7.561 2.036 308 HD23 LEU 38 HD23 LEU 38 -2.024 -7.641 3.805 309 H ASP 39 H ASP 39 -3.026 -2.301 4.629 310 HA ASP 39 HA ASP 39 -5.091 -1.842 2.670 311 HB2 ASP 39 HB2 ASP 39 -5.814 -2.599 4.836 312 HB3 ASP 39 HB3 ASP 39 -5.004 -1.243 5.626 313 H ILE 40 H ILE 40 -3.941 -0.636 1.405 314 HA ILE 40 HA ILE 40 -2.595 1.749 2.151 315 HB ILE 40 HB ILE 40 -3.262 0.703 -0.625 316 HG12 ILE 40 HG12 ILE 40 -0.808 0.344 1.045 317 HG13 ILE 40 HG13 ILE 40 -2.079 -0.856 0.971 318 HG21 ILE 40 HG21 ILE 40 -1.315 2.044 -1.296 319 HG22 ILE 40 HG22 ILE 40 -1.122 2.609 0.367 320 HG23 ILE 40 HG23 ILE 40 -2.557 3.058 -0.558 321 HD11 ILE 40 HD11 ILE 40 -1.695 -1.103 -1.418 322 HD12 ILE 40 HD12 ILE 40 -0.267 -1.481 -0.468 323 HD13 ILE 40 HD13 ILE 40 -0.375 0.067 -1.327 324 H ASN 41 H ASN 41 -5.719 0.999 0.664 325 HA ASN 41 HA ASN 41 -6.220 3.794 0.112 326 HB2 ASN 41 HB2 ASN 41 -8.303 3.147 -0.878 327 HB3 ASN 41 HB3 ASN 41 -7.174 1.876 -1.308 328 HD21 ASN 41 HD21 ASN 41 -9.998 1.770 -1.263 329 HD22 ASN 41 HD22 ASN 41 -10.437 0.542 -0.123 330 H GLY 42 H GLY 42 -6.311 1.942 2.819 331 HA2 GLY 42 HA2 GLY 42 -7.008 2.375 4.959 332 HA3 GLY 42 HA3 GLY 42 -7.427 3.988 4.411 333 H ASP 43 H ASP 43 -8.696 0.682 3.918 334 HA ASP 43 HA ASP 43 -11.310 1.774 4.684 335 HB2 ASP 43 HB2 ASP 43 -12.493 0.050 3.298 336 HB3 ASP 43 HB3 ASP 43 -11.550 1.167 2.335 337 H GLY 44 H GLY 44 -8.923 -0.364 5.510 338 HA2 GLY 44 HA2 GLY 44 -8.913 -1.305 7.664 339 HA3 GLY 44 HA3 GLY 44 -10.670 -1.415 7.597 340 H ALA 45 H ALA 45 -9.781 -2.488 4.671 341 HA ALA 45 HA ALA 45 -9.321 -5.232 5.590 342 HB1 ALA 45 HB1 ALA 45 -10.887 -6.022 3.891 343 HB2 ALA 45 HB2 ALA 45 -11.254 -4.350 3.460 344 HB3 ALA 45 HB3 ALA 45 -11.680 -4.963 5.057 345 H VAL 46 H VAL 46 -8.120 -6.545 4.120 346 HA VAL 46 HA VAL 46 -6.487 -5.040 2.319 347 HB VAL 46 HB VAL 46 -6.371 -7.935 3.199 348 HG11 VAL 46 HG11 VAL 46 -4.453 -6.165 1.780 349 HG12 VAL 46 HG12 VAL 46 -5.339 -7.546 1.091 350 HG13 VAL 46 HG13 VAL 46 -4.088 -7.806 2.342 351 HG21 VAL 46 HG21 VAL 46 -4.503 -7.234 4.632 352 HG22 VAL 46 HG22 VAL 46 -6.010 -6.440 5.086 353 HG23 VAL 46 HG23 VAL 46 -4.788 -5.555 4.173 354 H ASN 47 H ASN 47 -7.334 -4.785 0.404 355 HA ASN 47 HA ASN 47 -8.623 -7.017 -0.926 356 HB2 ASN 47 HB2 ASN 47 -10.404 -5.314 -1.736 357 HB3 ASN 47 HB3 ASN 47 -10.578 -6.021 -0.136 358 HD21 ASN 47 HD21 ASN 47 -11.575 -4.501 0.931 359 HD22 ASN 47 HD22 ASN 47 -11.085 -2.867 1.150 360 H GLY 48 H GLY 48 -9.270 -6.214 -3.301 361 HA2 GLY 48 HA2 GLY 48 -6.771 -5.809 -4.554 362 HA3 GLY 48 HA3 GLY 48 -8.285 -5.876 -5.414 363 H ARG 49 H ARG 49 -9.050 -3.657 -3.422 364 HA ARG 49 HA ARG 49 -8.646 -1.400 -5.073 365 HB2 ARG 49 HB2 ARG 49 -9.130 -1.487 -2.105 366 HB3 ARG 49 HB3 ARG 49 -9.345 -0.086 -3.132 367 HG2 ARG 49 HG2 ARG 49 -10.892 -2.638 -3.311 368 HG3 ARG 49 HG3 ARG 49 -11.446 -1.169 -2.521 369 HD2 ARG 49 HD2 ARG 49 -10.880 -1.638 -5.455 370 HD3 ARG 49 HD3 ARG 49 -12.429 -1.252 -4.713 371 HE ARG 49 HE ARG 49 -10.633 0.836 -4.182 372 HH11 ARG 49 HH11 ARG 49 -12.619 -0.453 -6.806 373 HH12 ARG 49 HH12 ARG 49 -12.435 0.896 -7.807 374 HH21 ARG 49 HH21 ARG 49 -10.399 2.710 -5.538 375 HH22 ARG 49 HH22 ARG 49 -11.160 2.754 -7.067 376 H ASP 50 H ASP 50 -7.043 -2.625 -2.194 377 HA ASP 50 HA ASP 50 -5.162 -0.539 -1.873 378 HB2 ASP 50 HB2 ASP 50 -4.897 -3.397 -0.992 379 HB3 ASP 50 HB3 ASP 50 -4.053 -1.982 -0.371 380 H LEU 51 H LEU 51 -5.194 -3.616 -3.463 381 HA LEU 51 HA LEU 51 -2.512 -3.749 -4.283 382 HB2 LEU 51 HB2 LEU 51 -3.879 -5.695 -4.510 383 HB3 LEU 51 HB3 LEU 51 -5.041 -4.845 -5.498 384 HG LEU 51 HG LEU 51 -3.499 -4.847 -7.390 385 HD11 LEU 51 HD11 LEU 51 -1.625 -6.473 -5.672 386 HD12 LEU 51 HD12 LEU 51 -1.364 -4.775 -6.076 387 HD13 LEU 51 HD13 LEU 51 -1.373 -5.997 -7.349 388 HD21 LEU 51 HD21 LEU 51 -3.771 -7.528 -6.092 389 HD22 LEU 51 HD22 LEU 51 -3.491 -7.254 -7.816 390 HD23 LEU 51 HD23 LEU 51 -5.007 -6.736 -7.067 391 H MET 52 H MET 52 -5.325 -2.353 -5.833 392 HA MET 52 HA MET 52 -3.919 -1.336 -8.072 393 HB2 MET 52 HB2 MET 52 -6.558 -0.532 -6.889 394 HB3 MET 52 HB3 MET 52 -5.930 0.120 -8.401 395 HG2 MET 52 HG2 MET 52 -5.830 -2.243 -9.255 396 HG3 MET 52 HG3 MET 52 -6.659 -2.716 -7.773 397 HE1 MET 52 HE1 MET 52 -8.750 -0.438 -7.262 398 HE2 MET 52 HE2 MET 52 -9.138 -2.157 -7.194 399 HE3 MET 52 HE3 MET 52 -10.153 -1.060 -8.130 400 H GLU 53 H GLU 53 -4.582 -0.031 -4.910 401 HA GLU 53 HA GLU 53 -3.602 2.586 -5.351 402 HB2 GLU 53 HB2 GLU 53 -3.687 0.916 -2.856 403 HB3 GLU 53 HB3 GLU 53 -3.213 2.601 -2.881 404 HG2 GLU 53 HG2 GLU 53 -5.894 1.491 -3.642 405 HG3 GLU 53 HG3 GLU 53 -5.481 2.316 -2.142 406 H LEU 54 H LEU 54 -2.084 -0.407 -4.294 407 HA LEU 54 HA LEU 54 0.444 0.614 -3.812 408 HB2 LEU 54 HB2 LEU 54 -0.468 -1.621 -3.182 409 HB3 LEU 54 HB3 LEU 54 -0.243 -2.114 -4.832 410 HG LEU 54 HG LEU 54 2.138 -1.957 -4.669 411 HD11 LEU 54 HD11 LEU 54 1.664 -0.915 -1.869 412 HD12 LEU 54 HD12 LEU 54 2.331 0.006 -3.219 413 HD13 LEU 54 HD13 LEU 54 3.232 -1.346 -2.544 414 HD21 LEU 54 HD21 LEU 54 0.953 -3.310 -2.261 415 HD22 LEU 54 HD22 LEU 54 2.532 -3.649 -2.970 416 HD23 LEU 54 HD23 LEU 54 1.060 -3.979 -3.885 417 H ILE 55 H ILE 55 -0.941 -0.812 -6.681 418 HA ILE 55 HA ILE 55 1.264 -0.480 -8.508 419 HB ILE 55 HB ILE 55 -1.721 -0.351 -9.105 420 HG12 ILE 55 HG12 ILE 55 0.117 -2.765 -9.239 421 HG13 ILE 55 HG13 ILE 55 -0.992 -2.429 -7.923 422 HG21 ILE 55 HG21 ILE 55 0.616 -0.960 -10.934 423 HG22 ILE 55 HG22 ILE 55 -0.357 0.508 -10.952 424 HG23 ILE 55 HG23 ILE 55 -1.087 -1.038 -11.395 425 HD11 ILE 55 HD11 ILE 55 -2.892 -2.649 -9.462 426 HD12 ILE 55 HD12 ILE 55 -1.907 -4.097 -9.418 427 HD13 ILE 55 HD13 ILE 55 -1.771 -2.987 -10.785 428 H LYS 56 H LYS 56 -1.328 1.713 -7.606 429 HA LYS 56 HA LYS 56 -0.627 3.952 -9.126 430 HB2 LYS 56 HB2 LYS 56 -2.648 3.987 -7.918 431 HB3 LYS 56 HB3 LYS 56 -1.847 3.562 -6.419 432 HG2 LYS 56 HG2 LYS 56 -0.834 5.805 -6.338 433 HG3 LYS 56 HG3 LYS 56 -1.743 6.260 -7.797 434 HD2 LYS 56 HD2 LYS 56 -2.899 5.360 -5.153 435 HD3 LYS 56 HD3 LYS 56 -2.817 7.027 -5.723 436 HE2 LYS 56 HE2 LYS 56 -4.319 6.464 -7.577 437 HE3 LYS 56 HE3 LYS 56 -4.357 4.784 -7.049 438 HZ1 LYS 56 HZ1 LYS 56 -6.303 6.026 -6.320 439 HZ2 LYS 56 HZ2 LYS 56 -5.336 7.071 -5.421 440 HZ3 LYS 56 HZ3 LYS 56 -5.425 5.442 -5.018 441 H LYS 57 H LYS 57 0.352 3.131 -5.815 442 HA LYS 57 HA LYS 57 2.106 5.218 -5.287 443 HB2 LYS 57 HB2 LYS 57 2.148 2.393 -4.259 444 HB3 LYS 57 HB3 LYS 57 3.096 3.691 -3.574 445 HG2 LYS 57 HG2 LYS 57 0.089 3.421 -3.583 446 HG3 LYS 57 HG3 LYS 57 1.192 3.312 -2.208 447 HD2 LYS 57 HD2 LYS 57 0.646 5.772 -3.865 448 HD3 LYS 57 HD3 LYS 57 0.030 5.450 -2.252 449 HE2 LYS 57 HE2 LYS 57 2.269 5.395 -1.325 450 HE3 LYS 57 HE3 LYS 57 2.967 5.651 -2.918 451 HZ1 LYS 57 HZ1 LYS 57 1.863 7.811 -2.998 452 HZ2 LYS 57 HZ2 LYS 57 2.946 7.672 -1.713 453 HZ3 LYS 57 HZ3 LYS 57 1.289 7.580 -1.416 454 H VAL 58 H VAL 58 2.924 1.973 -6.421 455 HA VAL 58 HA VAL 58 5.669 2.537 -6.601 456 HB VAL 58 HB VAL 58 4.025 0.326 -7.797 457 HG11 VAL 58 HG11 VAL 58 6.161 -0.950 -7.901 458 HG12 VAL 58 HG12 VAL 58 7.025 0.480 -7.336 459 HG13 VAL 58 HG13 VAL 58 6.238 0.496 -8.912 460 HG21 VAL 58 HG21 VAL 58 5.564 0.563 -5.231 461 HG22 VAL 58 HG22 VAL 58 4.863 -0.934 -5.817 462 HG23 VAL 58 HG23 VAL 58 3.819 0.441 -5.420 463 H SER 59 H SER 59 3.049 2.764 -8.936 464 HA SER 59 HA SER 59 4.794 3.049 -11.103 465 HB2 SER 59 HB2 SER 59 1.928 3.993 -10.858 466 HB3 SER 59 HB3 SER 59 2.843 4.016 -12.365 467 HG SER 59 HG SER 59 1.763 1.947 -10.929 468 H ASN 60 H ASN 60 3.255 5.249 -8.857 469 HA ASN 60 HA ASN 60 3.892 7.716 -10.005 470 HB2 ASN 60 HB2 ASN 60 2.194 7.247 -8.219 471 HB3 ASN 60 HB3 ASN 60 3.526 7.053 -7.090 472 HD21 ASN 60 HD21 ASN 60 1.705 9.186 -8.962 473 HD22 ASN 60 HD22 ASN 60 2.268 10.674 -8.272 474 H ASN 61 H ASN 61 5.377 6.002 -7.254 475 HA ASN 61 HA ASN 61 7.496 7.859 -6.960 476 HB2 ASN 61 HB2 ASN 61 6.679 6.409 -5.120 477 HB3 ASN 61 HB3 ASN 61 7.340 5.010 -5.955 478 HD21 ASN 61 HD21 ASN 61 9.590 4.620 -5.846 479 HD22 ASN 61 HD22 ASN 61 10.621 5.549 -4.858 480 H THR 62 H THR 62 7.257 4.691 -8.506 481 HA THR 62 HA THR 62 8.388 3.673 -10.073 482 HB THR 62 HB THR 62 9.994 6.238 -10.343 483 HG1 THR 62 HG1 THR 62 7.709 6.233 -10.796 484 HG21 THR 62 HG21 THR 62 9.837 3.869 -12.238 485 HG22 THR 62 HG22 THR 62 11.232 4.294 -11.253 486 HG23 THR 62 HG23 THR 62 10.699 5.380 -12.540 487 H SER 63 H SER 63 9.725 2.053 -9.863 488 HA SER 63 HA SER 63 11.605 2.120 -7.646 489 HB2 SER 63 HB2 SER 63 10.501 -0.236 -9.206 490 HB3 SER 63 HB3 SER 63 11.439 -0.320 -7.714 491 HG SER 63 HG SER 63 8.780 0.441 -8.124 Start of MODEL 9 1 H1 GLY -3 H1 GLY -3 -0.580 14.667 10.958 2 H2 GLY -3 H2 GLY -3 -0.507 14.651 9.281 3 H3 GLY -3 H3 GLY -3 0.513 15.702 10.166 4 HA2 GLY -3 HA3 GLY -3 1.713 13.807 9.361 5 HA3 GLY -3 HA2 GLY -3 1.596 13.773 11.121 6 H SER -2 H SER -2 2.049 11.464 10.677 7 HA SER -2 HA SER -2 0.124 9.835 9.430 8 HB2 SER -2 HB2 SER -2 2.279 9.134 11.431 9 HB3 SER -2 HB3 SER -2 1.462 8.019 10.339 10 HG SER -2 HG SER -2 3.297 8.515 9.328 11 H ALA -1 H ALA -1 -1.793 9.289 10.240 12 HA ALA -1 HA ALA -1 -2.678 9.852 12.864 13 HB1 ALA -1 HB1 ALA -1 -4.639 8.470 12.300 14 HB2 ALA -1 HB2 ALA -1 -3.795 7.857 10.877 15 HB3 ALA -1 HB3 ALA -1 -4.233 9.563 10.975 16 H SER 0 H SER 0 -1.428 6.969 11.343 17 HA SER 0 HA SER 0 -0.778 5.877 13.973 18 HB2 SER 0 HB2 SER 0 -1.734 4.287 11.568 19 HB3 SER 0 HB3 SER 0 -1.357 3.646 13.167 20 HG SER 0 HG SER 0 -3.630 3.995 12.710 21 H ASN 1 H ASN 1 1.287 4.692 13.881 22 HA ASN 1 HA ASN 1 2.932 5.703 11.732 23 HB2 ASN 1 HB2 ASN 1 3.791 5.862 14.067 24 HB3 ASN 1 HB3 ASN 1 3.791 4.107 14.175 25 HD21 ASN 1 HD21 ASN 1 5.382 6.886 12.845 26 HD22 ASN 1 HD22 ASN 1 6.798 6.064 12.300 27 H THR 2 H THR 2 1.562 4.394 10.404 28 HA THR 2 HA THR 2 2.846 1.848 9.770 29 HB THR 2 HB THR 2 -0.059 2.653 9.387 30 HG1 THR 2 HG1 THR 2 1.251 0.955 11.223 31 HG21 THR 2 HG21 THR 2 -0.380 0.306 8.682 32 HG22 THR 2 HG22 THR 2 1.355 0.027 8.846 33 HG23 THR 2 HG23 THR 2 0.754 1.152 7.632 34 H ILE 3 H ILE 3 3.447 1.761 7.594 35 HA ILE 3 HA ILE 3 2.847 4.211 6.157 36 HB ILE 3 HB ILE 3 5.185 4.042 6.472 37 HG12 ILE 3 HG12 ILE 3 4.613 3.159 3.636 38 HG13 ILE 3 HG13 ILE 3 4.484 4.809 4.232 39 HG21 ILE 3 HG21 ILE 3 6.518 2.086 5.638 40 HG22 ILE 3 HG22 ILE 3 4.975 1.199 5.565 41 HG23 ILE 3 HG23 ILE 3 5.558 1.840 7.091 42 HD11 ILE 3 HD11 ILE 3 6.546 4.508 2.991 43 HD12 ILE 3 HD12 ILE 3 7.009 3.175 4.046 44 HD13 ILE 3 HD13 ILE 3 6.901 4.811 4.693 45 H LEU 4 H LEU 4 1.099 3.905 5.077 46 HA LEU 4 HA LEU 4 0.255 1.458 4.008 47 HB2 LEU 4 HB2 LEU 4 -0.665 4.236 3.297 48 HB3 LEU 4 HB3 LEU 4 -1.501 2.726 3.000 49 HG LEU 4 HG LEU 4 -1.016 4.038 5.669 50 HD11 LEU 4 HD11 LEU 4 -3.444 4.168 5.790 51 HD12 LEU 4 HD12 LEU 4 -3.557 3.475 4.172 52 HD13 LEU 4 HD13 LEU 4 -2.802 5.048 4.402 53 HD21 LEU 4 HD21 LEU 4 -2.280 2.176 6.665 54 HD22 LEU 4 HD22 LEU 4 -0.766 1.660 5.922 55 HD23 LEU 4 HD23 LEU 4 -2.300 1.354 5.097 56 H GLY 5 H GLY 5 1.148 0.482 2.397 57 HA2 GLY 5 HA2 GLY 5 1.405 0.553 -0.040 58 HA3 GLY 5 HA3 GLY 5 2.226 2.097 0.188 59 H ASP 6 H ASP 6 3.426 0.801 2.745 60 HA ASP 6 HA ASP 6 5.454 -0.687 1.288 61 HB2 ASP 6 HB2 ASP 6 6.352 1.416 1.988 62 HB3 ASP 6 HB3 ASP 6 5.764 1.180 3.624 63 H LEU 7 H LEU 7 4.760 -2.558 1.524 64 HA LEU 7 HA LEU 7 3.487 -3.616 3.856 65 HB2 LEU 7 HB2 LEU 7 4.147 -4.705 1.151 66 HB3 LEU 7 HB3 LEU 7 3.469 -5.710 2.402 67 HG LEU 7 HG LEU 7 1.428 -4.261 2.406 68 HD11 LEU 7 HD11 LEU 7 1.018 -2.701 0.638 69 HD12 LEU 7 HD12 LEU 7 2.629 -2.956 -0.019 70 HD13 LEU 7 HD13 LEU 7 2.434 -2.180 1.556 71 HD21 LEU 7 HD21 LEU 7 2.234 -5.421 -0.224 72 HD22 LEU 7 HD22 LEU 7 0.598 -4.996 0.256 73 HD23 LEU 7 HD23 LEU 7 1.470 -6.270 1.121 74 H ASN 8 H ASN 8 6.580 -3.954 2.278 75 HA ASN 8 HA ASN 8 7.328 -6.112 4.113 76 HB2 ASN 8 HB2 ASN 8 9.341 -6.398 2.797 77 HB3 ASN 8 HB3 ASN 8 7.956 -6.356 1.725 78 HD21 ASN 8 HD21 ASN 8 10.577 -5.958 1.005 79 HD22 ASN 8 HD22 ASN 8 10.799 -4.323 0.455 80 H ASP 9 H ASP 9 7.247 -2.924 4.215 81 HA ASP 9 HA ASP 9 8.038 -1.338 5.522 82 HB2 ASP 9 HB2 ASP 9 7.286 -2.828 7.312 83 HB3 ASP 9 HB3 ASP 9 8.838 -3.643 7.308 84 H ASP 10 H ASP 10 9.448 -1.138 3.681 85 HA ASP 10 HA ASP 10 12.214 -1.179 4.616 86 HB2 ASP 10 HB2 ASP 10 13.062 -1.479 2.304 87 HB3 ASP 10 HB3 ASP 10 11.978 -2.778 2.801 88 H GLY 11 H GLY 11 9.689 0.724 4.029 89 HA2 GLY 11 HA2 GLY 11 9.726 3.001 4.508 90 HA3 GLY 11 HA3 GLY 11 11.417 3.070 4.041 91 H VAL 12 H VAL 12 9.840 1.428 1.635 92 HA VAL 12 HA VAL 12 9.070 3.844 0.235 93 HB VAL 12 HB VAL 12 11.441 3.863 -0.137 94 HG11 VAL 12 HG11 VAL 12 11.953 1.617 0.416 95 HG12 VAL 12 HG12 VAL 12 12.683 2.029 -1.146 96 HG13 VAL 12 HG13 VAL 12 11.225 1.027 -1.077 97 HG21 VAL 12 HG21 VAL 12 11.623 3.689 -2.583 98 HG22 VAL 12 HG22 VAL 12 10.118 4.475 -2.102 99 HG23 VAL 12 HG23 VAL 12 10.105 2.793 -2.622 100 H VAL 13 H VAL 13 7.516 3.531 -1.312 101 HA VAL 13 HA VAL 13 6.409 0.975 -1.647 102 HB VAL 13 HB VAL 13 4.914 2.167 -3.329 103 HG11 VAL 13 HG11 VAL 13 4.254 1.954 -1.006 104 HG12 VAL 13 HG12 VAL 13 3.763 3.536 -1.609 105 HG13 VAL 13 HG13 VAL 13 5.188 3.384 -0.585 106 HG21 VAL 13 HG21 VAL 13 4.978 4.632 -3.389 107 HG22 VAL 13 HG22 VAL 13 6.457 3.932 -4.047 108 HG23 VAL 13 HG23 VAL 13 6.456 4.613 -2.423 109 H ASN 14 H ASN 14 7.578 -0.461 -2.611 110 HA ASN 14 HA ASN 14 8.668 0.117 -5.251 111 HB2 ASN 14 HB2 ASN 14 10.618 -1.392 -4.735 112 HB3 ASN 14 HB3 ASN 14 10.615 0.155 -3.921 113 HD21 ASN 14 HD21 ASN 14 12.113 -0.783 -2.563 114 HD22 ASN 14 HD22 ASN 14 11.632 -1.782 -1.228 115 H GLY 15 H GLY 15 9.604 -2.249 -6.078 116 HA2 GLY 15 HA2 GLY 15 7.192 -3.548 -6.806 117 HA3 GLY 15 HA3 GLY 15 8.766 -4.090 -7.255 118 H ARG 16 H ARG 16 9.381 -4.014 -4.263 119 HA ARG 16 HA ARG 16 9.028 -6.786 -3.746 120 HB2 ARG 16 HB2 ARG 16 9.741 -4.518 -1.927 121 HB3 ARG 16 HB3 ARG 16 9.873 -6.197 -1.465 122 HG2 ARG 16 HG2 ARG 16 11.399 -4.812 -3.649 123 HG3 ARG 16 HG3 ARG 16 12.035 -5.276 -2.063 124 HD2 ARG 16 HD2 ARG 16 11.414 -7.653 -2.692 125 HD3 ARG 16 HD3 ARG 16 11.156 -7.046 -4.328 126 HE ARG 16 HE ARG 16 13.669 -6.324 -3.202 127 HH11 ARG 16 HH11 ARG 16 12.024 -8.825 -5.065 128 HH12 ARG 16 HH12 ARG 16 13.442 -9.521 -5.681 129 HH21 ARG 16 HH21 ARG 16 15.601 -7.290 -3.943 130 HH22 ARG 16 HH22 ARG 16 15.572 -8.632 -4.988 131 H ASP 17 H ASP 17 7.259 -3.897 -2.924 132 HA ASP 17 HA ASP 17 5.637 -5.007 -0.889 133 HB2 ASP 17 HB2 ASP 17 5.141 -2.641 -2.683 134 HB3 ASP 17 HB3 ASP 17 4.226 -3.036 -1.243 135 H ILE 18 H ILE 18 5.265 -4.524 -4.356 136 HA ILE 18 HA ILE 18 2.731 -5.445 -4.821 137 HB ILE 18 HB ILE 18 5.263 -5.750 -6.471 138 HG12 ILE 18 HG12 ILE 18 4.251 -4.139 -7.961 139 HG13 ILE 18 HG13 ILE 18 2.769 -4.143 -6.964 140 HG21 ILE 18 HG21 ILE 18 2.506 -6.568 -7.400 141 HG22 ILE 18 HG22 ILE 18 3.826 -7.666 -7.039 142 HG23 ILE 18 HG23 ILE 18 3.970 -6.536 -8.391 143 HD11 ILE 18 HD11 ILE 18 4.132 -2.168 -6.729 144 HD12 ILE 18 HD12 ILE 18 5.460 -3.166 -6.102 145 HD13 ILE 18 HD13 ILE 18 3.942 -3.061 -5.227 146 H VAL 19 H VAL 19 5.654 -7.284 -4.469 147 HA VAL 19 HA VAL 19 4.747 -9.898 -4.923 148 HB VAL 19 HB VAL 19 6.802 -9.096 -2.862 149 HG11 VAL 19 HG11 VAL 19 7.853 -11.241 -3.354 150 HG12 VAL 19 HG12 VAL 19 6.560 -11.612 -4.491 151 HG13 VAL 19 HG13 VAL 19 6.198 -11.447 -2.775 152 HG21 VAL 19 HG21 VAL 19 8.476 -9.261 -4.663 153 HG22 VAL 19 HG22 VAL 19 7.328 -7.951 -4.886 154 HG23 VAL 19 HG23 VAL 19 7.159 -9.431 -5.834 155 H MET 20 H MET 20 5.085 -8.133 -1.906 156 HA MET 20 HA MET 20 4.129 -10.110 -0.140 157 HB2 MET 20 HB2 MET 20 3.927 -7.127 0.290 158 HB3 MET 20 HB3 MET 20 4.036 -8.426 1.476 159 HG2 MET 20 HG2 MET 20 6.230 -7.750 -0.456 160 HG3 MET 20 HG3 MET 20 6.122 -7.075 1.156 161 HE1 MET 20 HE1 MET 20 5.316 -9.276 3.090 162 HE2 MET 20 HE2 MET 20 6.763 -8.306 3.321 163 HE3 MET 20 HE3 MET 20 6.848 -10.062 3.470 164 H MET 21 H MET 21 2.558 -7.445 -1.774 165 HA MET 21 HA MET 21 -0.014 -7.326 -0.746 166 HB2 MET 21 HB2 MET 21 1.079 -5.887 -2.547 167 HB3 MET 21 HB3 MET 21 0.746 -7.236 -3.630 168 HG2 MET 21 HG2 MET 21 -0.843 -5.647 -4.093 169 HG3 MET 21 HG3 MET 21 -1.741 -6.845 -3.193 170 HE1 MET 21 HE1 MET 21 -1.165 -5.955 -0.048 171 HE2 MET 21 HE2 MET 21 -2.781 -6.245 -0.692 172 HE3 MET 21 HE3 MET 21 -2.406 -4.727 0.131 173 H ARG 22 H ARG 22 1.157 -9.053 -3.517 174 HA ARG 22 HA ARG 22 -1.227 -10.333 -4.221 175 HB2 ARG 22 HB2 ARG 22 1.630 -10.822 -4.955 176 HB3 ARG 22 HB3 ARG 22 0.253 -11.601 -5.754 177 HG2 ARG 22 HG2 ARG 22 -0.512 -9.436 -6.513 178 HG3 ARG 22 HG3 ARG 22 0.785 -8.644 -5.617 179 HD2 ARG 22 HD2 ARG 22 1.436 -8.859 -7.953 180 HD3 ARG 22 HD3 ARG 22 2.427 -9.897 -6.941 181 HE ARG 22 HE ARG 22 0.147 -11.232 -7.809 182 HH11 ARG 22 HH11 ARG 22 3.359 -10.204 -8.981 183 HH12 ARG 22 HH12 ARG 22 3.498 -11.486 -10.090 184 HH21 ARG 22 HH21 ARG 22 0.427 -13.029 -9.385 185 HH22 ARG 22 HH22 ARG 22 1.844 -13.083 -10.326 186 H GLN 23 H GLN 23 1.467 -11.306 -2.197 187 HA GLN 23 HA GLN 23 0.951 -14.054 -1.972 188 HB2 GLN 23 HB2 GLN 23 1.912 -12.194 0.183 189 HB3 GLN 23 HB3 GLN 23 2.088 -13.952 0.142 190 HG2 GLN 23 HG2 GLN 23 3.368 -12.030 -1.784 191 HG3 GLN 23 HG3 GLN 23 4.140 -12.751 -0.398 192 HE21 GLN 23 HE21 GLN 23 4.481 -13.093 -3.422 193 HE22 GLN 23 HE22 GLN 23 4.464 -14.830 -3.539 194 H TYR 24 H TYR 24 0.025 -11.392 0.185 195 HA TYR 24 HA TYR 24 -1.503 -12.986 1.904 196 HB2 TYR 24 HB2 TYR 24 -0.460 -10.771 2.356 197 HB3 TYR 24 HB3 TYR 24 -1.750 -10.021 1.460 198 HD1 TYR 24 HD1 TYR 24 -0.872 -11.683 4.570 199 HD2 TYR 24 HD2 TYR 24 -4.048 -10.042 2.285 200 HE1 TYR 24 HE1 TYR 24 -2.296 -11.669 6.566 201 HE2 TYR 24 HE2 TYR 24 -5.468 -10.014 4.207 202 HH TYR 24 HH TYR 24 -5.621 -11.212 6.410 203 H LEU 25 H LEU 25 -2.359 -10.878 -0.674 204 HA LEU 25 HA LEU 25 -5.175 -11.097 -0.688 205 HB2 LEU 25 HB2 LEU 25 -3.367 -10.750 -3.073 206 HB3 LEU 25 HB3 LEU 25 -5.106 -10.604 -3.130 207 HG LEU 25 HG LEU 25 -3.241 -8.804 -1.589 208 HD11 LEU 25 HD11 LEU 25 -3.849 -7.161 -3.246 209 HD12 LEU 25 HD12 LEU 25 -4.788 -8.369 -4.128 210 HD13 LEU 25 HD13 LEU 25 -3.035 -8.539 -3.989 211 HD21 LEU 25 HD21 LEU 25 -5.200 -7.379 -1.298 212 HD22 LEU 25 HD22 LEU 25 -5.461 -8.946 -0.529 213 HD23 LEU 25 HD23 LEU 25 -6.214 -8.578 -2.087 214 H ALA 26 H ALA 26 -2.794 -13.260 -2.102 215 HA ALA 26 HA ALA 26 -4.692 -14.905 -3.466 216 HB1 ALA 26 HB1 ALA 26 -2.812 -16.402 -3.847 217 HB2 ALA 26 HB2 ALA 26 -1.854 -15.490 -2.675 218 HB3 ALA 26 HB3 ALA 26 -2.363 -14.726 -4.181 219 H GLY 27 H GLY 27 -3.978 -14.570 -0.222 220 HA2 GLY 27 HA2 GLY 27 -5.033 -15.773 1.456 221 HA3 GLY 27 HA3 GLY 27 -5.197 -17.111 0.319 222 H LYS 28 H LYS 28 -2.133 -15.569 0.462 223 HA LYS 28 HA LYS 28 -1.064 -17.892 1.855 224 HB2 LYS 28 HB2 LYS 28 0.557 -15.728 0.433 225 HB3 LYS 28 HB3 LYS 28 1.079 -17.285 0.966 226 HG2 LYS 28 HG2 LYS 28 -0.379 -18.387 -0.666 227 HG3 LYS 28 HG3 LYS 28 -0.936 -16.787 -1.183 228 HD2 LYS 28 HD2 LYS 28 0.754 -17.539 -2.734 229 HD3 LYS 28 HD3 LYS 28 1.384 -16.213 -1.746 230 HE2 LYS 28 HE2 LYS 28 2.567 -17.776 -0.324 231 HE3 LYS 28 HE3 LYS 28 1.910 -19.134 -1.235 232 HZ1 LYS 28 HZ1 LYS 28 3.077 -18.334 -3.180 233 HZ2 LYS 28 HZ2 LYS 28 4.175 -18.560 -1.902 234 HZ3 LYS 28 HZ3 LYS 28 3.652 -17.008 -2.309 235 H THR 29 H THR 29 0.286 -17.598 3.580 236 HA THR 29 HA THR 29 -0.238 -15.112 5.048 237 HB THR 29 HB THR 29 0.816 -17.710 6.222 238 HG1 THR 29 HG1 THR 29 -1.479 -17.365 5.168 239 HG21 THR 29 HG21 THR 29 0.024 -16.729 8.327 240 HG22 THR 29 HG22 THR 29 -0.537 -15.303 7.462 241 HG23 THR 29 HG23 THR 29 1.187 -15.653 7.551 242 H VAL 30 H VAL 30 1.340 -13.700 4.937 243 HA VAL 30 HA VAL 30 3.914 -14.602 3.988 244 HB VAL 30 HB VAL 30 3.330 -11.764 4.442 245 HG11 VAL 30 HG11 VAL 30 5.423 -12.432 3.401 246 HG12 VAL 30 HG12 VAL 30 4.444 -11.515 2.241 247 HG13 VAL 30 HG13 VAL 30 4.521 -13.267 2.127 248 HG21 VAL 30 HG21 VAL 30 2.029 -11.528 2.331 249 HG22 VAL 30 HG22 VAL 30 1.172 -12.398 3.597 250 HG23 VAL 30 HG23 VAL 30 1.903 -13.287 2.263 251 H SER 31 H SER 31 5.310 -15.076 5.551 252 HA SER 31 HA SER 31 5.161 -14.013 8.180 253 HB2 SER 31 HB2 SER 31 6.013 -16.290 7.696 254 HB3 SER 31 HB3 SER 31 7.350 -15.593 6.789 255 HG SER 31 HG SER 31 6.867 -15.682 9.531 256 H GLY 32 H GLY 32 5.791 -12.017 8.667 257 HA2 GLY 32 HA2 GLY 32 7.590 -10.482 8.991 258 HA3 GLY 32 HA3 GLY 32 8.265 -11.012 7.461 259 H ILE 33 H ILE 33 4.954 -10.552 7.113 260 HA ILE 33 HA ILE 33 5.441 -8.065 5.724 261 HB ILE 33 HB ILE 33 4.052 -9.973 4.743 262 HG12 ILE 33 HG12 ILE 33 2.632 -7.312 4.952 263 HG13 ILE 33 HG13 ILE 33 3.977 -7.633 3.889 264 HG21 ILE 33 HG21 ILE 33 2.733 -10.579 6.728 265 HG22 ILE 33 HG22 ILE 33 1.671 -10.138 5.391 266 HG23 ILE 33 HG23 ILE 33 1.942 -9.002 6.700 267 HD11 ILE 33 HD11 ILE 33 1.897 -7.795 2.627 268 HD12 ILE 33 HD12 ILE 33 1.269 -8.989 3.757 269 HD13 ILE 33 HD13 ILE 33 2.636 -9.389 2.736 270 H ASP 34 H ASP 34 4.436 -6.133 6.255 271 HA ASP 34 HA ASP 34 3.356 -5.947 8.975 272 HB2 ASP 34 HB2 ASP 34 4.900 -4.101 7.862 273 HB3 ASP 34 HB3 ASP 34 3.467 -3.712 6.948 274 H LYS 35 H LYS 35 1.354 -6.847 8.913 275 HA LYS 35 HA LYS 35 -0.231 -7.066 6.642 276 HB2 LYS 35 HB2 LYS 35 -0.354 -8.443 8.738 277 HB3 LYS 35 HB3 LYS 35 -1.286 -7.132 9.456 278 HG2 LYS 35 HG2 LYS 35 -2.840 -7.383 7.441 279 HG3 LYS 35 HG3 LYS 35 -2.014 -8.901 7.154 280 HD2 LYS 35 HD2 LYS 35 -3.464 -8.167 9.692 281 HD3 LYS 35 HD3 LYS 35 -4.067 -9.242 8.443 282 HE2 LYS 35 HE2 LYS 35 -2.243 -10.797 8.853 283 HE3 LYS 35 HE3 LYS 35 -1.563 -9.703 10.058 284 HZ1 LYS 35 HZ1 LYS 35 -2.851 -11.496 11.048 285 HZ2 LYS 35 HZ2 LYS 35 -4.230 -10.970 10.230 286 HZ3 LYS 35 HZ3 LYS 35 -3.523 -9.988 11.397 287 H ASN 36 H ASN 36 0.071 -4.470 8.885 288 HA ASN 36 HA ASN 36 -2.517 -3.306 8.560 289 HB2 ASN 36 HB2 ASN 36 -0.021 -1.957 9.564 290 HB3 ASN 36 HB3 ASN 36 -1.690 -1.575 9.944 291 HD21 ASN 36 HD21 ASN 36 1.005 -3.545 10.598 292 HD22 ASN 36 HD22 ASN 36 0.398 -4.349 12.012 293 H ALA 37 H ALA 37 0.534 -3.238 6.869 294 HA ALA 37 HA ALA 37 0.144 -0.589 5.809 295 HB1 ALA 37 HB1 ALA 37 2.278 -0.970 4.696 296 HB2 ALA 37 HB2 ALA 37 2.243 -2.659 5.225 297 HB3 ALA 37 HB3 ALA 37 2.366 -1.367 6.411 298 H LEU 38 H LEU 38 -1.113 -3.518 5.118 299 HA LEU 38 HA LEU 38 -1.020 -3.428 2.243 300 HB2 LEU 38 HB2 LEU 38 -2.541 -5.171 4.146 301 HB3 LEU 38 HB3 LEU 38 -2.818 -5.208 2.423 302 HG LEU 38 HG LEU 38 -0.454 -5.897 2.109 303 HD11 LEU 38 HD11 LEU 38 -0.527 -6.064 5.055 304 HD12 LEU 38 HD12 LEU 38 0.539 -5.058 4.063 305 HD13 LEU 38 HD13 LEU 38 0.678 -6.826 4.019 306 HD21 LEU 38 HD21 LEU 38 -0.815 -8.171 2.917 307 HD22 LEU 38 HD22 LEU 38 -2.224 -7.488 2.094 308 HD23 LEU 38 HD23 LEU 38 -2.199 -7.586 3.848 309 H ASP 39 H ASP 39 -3.100 -2.256 4.730 310 HA ASP 39 HA ASP 39 -5.250 -1.882 2.832 311 HB2 ASP 39 HB2 ASP 39 -5.868 -2.566 5.063 312 HB3 ASP 39 HB3 ASP 39 -5.072 -1.143 5.751 313 H ILE 40 H ILE 40 -4.083 -0.723 1.500 314 HA ILE 40 HA ILE 40 -2.854 1.739 2.151 315 HB ILE 40 HB ILE 40 -3.390 0.597 -0.614 316 HG12 ILE 40 HG12 ILE 40 -0.933 0.365 1.090 317 HG13 ILE 40 HG13 ILE 40 -2.173 -0.872 1.090 318 HG21 ILE 40 HG21 ILE 40 -1.485 1.996 -1.260 319 HG22 ILE 40 HG22 ILE 40 -1.342 2.585 0.401 320 HG23 ILE 40 HG23 ILE 40 -2.777 2.975 -0.554 321 HD11 ILE 40 HD11 ILE 40 -1.820 -1.227 -1.282 322 HD12 ILE 40 HD12 ILE 40 -0.354 -1.499 -0.352 323 HD13 ILE 40 HD13 ILE 40 -0.548 -0.004 -1.282 324 H ASN 41 H ASN 41 -5.925 0.831 0.717 325 HA ASN 41 HA ASN 41 -6.499 3.587 0.033 326 HB2 ASN 41 HB2 ASN 41 -8.571 2.857 -0.891 327 HB3 ASN 41 HB3 ASN 41 -7.431 1.576 -1.265 328 HD21 ASN 41 HD21 ASN 41 -10.275 1.428 -1.167 329 HD22 ASN 41 HD22 ASN 41 -10.693 0.290 0.072 330 H GLY 42 H GLY 42 -6.523 1.835 2.816 331 HA2 GLY 42 HA2 GLY 42 -7.219 2.252 4.932 332 HA3 GLY 42 HA3 GLY 42 -7.578 3.894 4.409 333 H ASP 43 H ASP 43 -8.933 0.620 3.943 334 HA ASP 43 HA ASP 43 -11.518 1.790 4.683 335 HB2 ASP 43 HB2 ASP 43 -12.730 0.075 3.342 336 HB3 ASP 43 HB3 ASP 43 -11.760 1.153 2.359 337 H GLY 44 H GLY 44 -9.198 -0.450 5.556 338 HA2 GLY 44 HA2 GLY 44 -9.273 -1.409 7.720 339 HA3 GLY 44 HA3 GLY 44 -11.025 -1.445 7.603 340 H ALA 45 H ALA 45 -9.954 -2.538 4.705 341 HA ALA 45 HA ALA 45 -9.631 -5.318 5.608 342 HB1 ALA 45 HB1 ALA 45 -11.959 -5.017 4.904 343 HB2 ALA 45 HB2 ALA 45 -11.089 -6.054 3.773 344 HB3 ALA 45 HB3 ALA 45 -11.413 -4.371 3.357 345 H VAL 46 H VAL 46 -8.418 -6.637 4.084 346 HA VAL 46 HA VAL 46 -6.690 -5.055 2.423 347 HB VAL 46 HB VAL 46 -6.577 -7.979 3.205 348 HG11 VAL 46 HG11 VAL 46 -4.616 -6.118 1.973 349 HG12 VAL 46 HG12 VAL 46 -5.485 -7.432 1.155 350 HG13 VAL 46 HG13 VAL 46 -4.275 -7.804 2.414 351 HG21 VAL 46 HG21 VAL 46 -4.789 -7.340 4.751 352 HG22 VAL 46 HG22 VAL 46 -6.309 -6.549 5.181 353 HG23 VAL 46 HG23 VAL 46 -5.040 -5.641 4.353 354 H ASN 47 H ASN 47 -7.544 -4.763 0.457 355 HA ASN 47 HA ASN 47 -8.747 -7.024 -0.849 356 HB2 ASN 47 HB2 ASN 47 -10.555 -5.349 -1.687 357 HB3 ASN 47 HB3 ASN 47 -10.743 -6.108 -0.110 358 HD21 ASN 47 HD21 ASN 47 -11.954 -4.560 0.843 359 HD22 ASN 47 HD22 ASN 47 -11.429 -2.949 1.139 360 H GLY 48 H GLY 48 -9.338 -6.340 -3.218 361 HA2 GLY 48 HA2 GLY 48 -6.871 -5.817 -4.463 362 HA3 GLY 48 HA3 GLY 48 -8.378 -5.895 -5.333 363 H ARG 49 H ARG 49 -9.190 -3.650 -3.328 364 HA ARG 49 HA ARG 49 -8.781 -1.412 -4.992 365 HB2 ARG 49 HB2 ARG 49 -9.202 -1.281 -2.027 366 HB3 ARG 49 HB3 ARG 49 -9.712 -0.124 -3.235 367 HG2 ARG 49 HG2 ARG 49 -11.285 -1.900 -4.103 368 HG3 ARG 49 HG3 ARG 49 -10.814 -2.827 -2.692 369 HD2 ARG 49 HD2 ARG 49 -11.525 -1.118 -1.185 370 HD3 ARG 49 HD3 ARG 49 -11.979 -0.088 -2.541 371 HE ARG 49 HE ARG 49 -13.502 -2.116 -3.065 372 HH11 ARG 49 HH11 ARG 49 -12.811 -0.970 0.239 373 HH12 ARG 49 HH12 ARG 49 -14.413 -1.190 0.759 374 HH21 ARG 49 HH21 ARG 49 -15.646 -2.429 -2.298 375 HH22 ARG 49 HH22 ARG 49 -16.043 -2.029 -0.678 376 H ASP 50 H ASP 50 -7.085 -2.768 -2.210 377 HA ASP 50 HA ASP 50 -5.316 -0.584 -1.775 378 HB2 ASP 50 HB2 ASP 50 -5.062 -3.465 -0.924 379 HB3 ASP 50 HB3 ASP 50 -4.180 -2.083 -0.288 380 H LEU 51 H LEU 51 -5.260 -3.667 -3.374 381 HA LEU 51 HA LEU 51 -2.618 -3.746 -4.262 382 HB2 LEU 51 HB2 LEU 51 -4.002 -5.662 -4.544 383 HB3 LEU 51 HB3 LEU 51 -5.161 -4.768 -5.492 384 HG LEU 51 HG LEU 51 -3.582 -4.678 -7.369 385 HD11 LEU 51 HD11 LEU 51 -1.516 -5.957 -7.361 386 HD12 LEU 51 HD12 LEU 51 -1.799 -6.442 -5.700 387 HD13 LEU 51 HD13 LEU 51 -1.461 -4.744 -6.077 388 HD21 LEU 51 HD21 LEU 51 -3.646 -7.039 -7.936 389 HD22 LEU 51 HD22 LEU 51 -5.157 -6.500 -7.187 390 HD23 LEU 51 HD23 LEU 51 -3.950 -7.407 -6.235 391 H MET 52 H MET 52 -5.456 -2.324 -5.778 392 HA MET 52 HA MET 52 -4.064 -1.288 -8.015 393 HB2 MET 52 HB2 MET 52 -6.650 -0.312 -6.815 394 HB3 MET 52 HB3 MET 52 -6.029 0.142 -8.400 395 HG2 MET 52 HG2 MET 52 -6.098 -2.296 -9.007 396 HG3 MET 52 HG3 MET 52 -6.915 -2.566 -7.470 397 HE1 MET 52 HE1 MET 52 -7.270 0.402 -10.059 398 HE2 MET 52 HE2 MET 52 -8.609 -0.218 -11.037 399 HE3 MET 52 HE3 MET 52 -7.067 -1.085 -10.982 400 H GLU 53 H GLU 53 -4.691 0.015 -4.835 401 HA GLU 53 HA GLU 53 -3.662 2.603 -5.310 402 HB2 GLU 53 HB2 GLU 53 -3.870 0.981 -2.795 403 HB3 GLU 53 HB3 GLU 53 -3.263 2.623 -2.825 404 HG2 GLU 53 HG2 GLU 53 -6.022 1.744 -3.654 405 HG3 GLU 53 HG3 GLU 53 -5.603 2.563 -2.151 406 H LEU 54 H LEU 54 -2.189 -0.409 -4.228 407 HA LEU 54 HA LEU 54 0.357 0.608 -3.730 408 HB2 LEU 54 HB2 LEU 54 -0.510 -1.639 -3.077 409 HB3 LEU 54 HB3 LEU 54 -0.319 -2.136 -4.736 410 HG LEU 54 HG LEU 54 2.083 -1.849 -4.627 411 HD11 LEU 54 HD11 LEU 54 1.577 -0.989 -1.790 412 HD12 LEU 54 HD12 LEU 54 2.209 0.019 -3.090 413 HD13 LEU 54 HD13 LEU 54 3.164 -1.330 -2.474 414 HD21 LEU 54 HD21 LEU 54 0.992 -3.412 -2.301 415 HD22 LEU 54 HD22 LEU 54 2.583 -3.617 -3.033 416 HD23 LEU 54 HD23 LEU 54 1.127 -3.974 -3.963 417 H ILE 55 H ILE 55 -1.024 -0.868 -6.568 418 HA ILE 55 HA ILE 55 1.186 -0.611 -8.343 419 HB ILE 55 HB ILE 55 -1.779 -0.488 -9.026 420 HG12 ILE 55 HG12 ILE 55 0.076 -2.903 -9.039 421 HG13 ILE 55 HG13 ILE 55 -1.073 -2.526 -7.770 422 HG21 ILE 55 HG21 ILE 55 0.616 -1.136 -10.762 423 HG22 ILE 55 HG22 ILE 55 -0.361 0.327 -10.857 424 HG23 ILE 55 HG23 ILE 55 -1.068 -1.238 -11.284 425 HD11 ILE 55 HD11 ILE 55 -1.789 -3.120 -10.634 426 HD12 ILE 55 HD12 ILE 55 -2.925 -2.811 -9.314 427 HD13 ILE 55 HD13 ILE 55 -1.914 -4.243 -9.281 428 H LYS 56 H LYS 56 -1.433 1.647 -7.610 429 HA LYS 56 HA LYS 56 -0.674 3.815 -9.182 430 HB2 LYS 56 HB2 LYS 56 -2.689 3.982 -7.995 431 HB3 LYS 56 HB3 LYS 56 -1.925 3.570 -6.471 432 HG2 LYS 56 HG2 LYS 56 -0.771 5.775 -6.515 433 HG3 LYS 56 HG3 LYS 56 -1.725 6.207 -7.948 434 HD2 LYS 56 HD2 LYS 56 -2.826 5.417 -5.248 435 HD3 LYS 56 HD3 LYS 56 -2.655 7.078 -5.811 436 HE2 LYS 56 HE2 LYS 56 -4.208 6.609 -7.640 437 HE3 LYS 56 HE3 LYS 56 -4.349 4.939 -7.091 438 HZ1 LYS 56 HZ1 LYS 56 -5.084 7.281 -5.437 439 HZ2 LYS 56 HZ2 LYS 56 -5.368 5.642 -5.094 440 HZ3 LYS 56 HZ3 LYS 56 -6.170 6.393 -6.378 441 H LYS 57 H LYS 57 0.276 3.113 -5.837 442 HA LYS 57 HA LYS 57 1.989 5.238 -5.355 443 HB2 LYS 57 HB2 LYS 57 2.137 2.439 -4.267 444 HB3 LYS 57 HB3 LYS 57 2.990 3.808 -3.588 445 HG2 LYS 57 HG2 LYS 57 0.003 3.352 -3.667 446 HG3 LYS 57 HG3 LYS 57 1.068 3.298 -2.261 447 HD2 LYS 57 HD2 LYS 57 0.459 5.741 -3.927 448 HD3 LYS 57 HD3 LYS 57 -0.231 5.372 -2.349 449 HE2 LYS 57 HE2 LYS 57 1.995 5.384 -1.338 450 HE3 LYS 57 HE3 LYS 57 2.700 5.761 -2.903 451 HZ1 LYS 57 HZ1 LYS 57 0.839 7.504 -1.384 452 HZ2 LYS 57 HZ2 LYS 57 1.455 7.840 -2.916 453 HZ3 LYS 57 HZ3 LYS 57 2.493 7.744 -1.605 454 H VAL 58 H VAL 58 2.869 1.965 -6.327 455 HA VAL 58 HA VAL 58 5.621 2.554 -6.490 456 HB VAL 58 HB VAL 58 3.997 0.245 -7.442 457 HG11 VAL 58 HG11 VAL 58 6.983 0.458 -6.876 458 HG12 VAL 58 HG12 VAL 58 6.265 0.269 -8.468 459 HG13 VAL 58 HG13 VAL 58 6.159 -1.046 -7.292 460 HG21 VAL 58 HG21 VAL 58 5.463 0.719 -4.855 461 HG22 VAL 58 HG22 VAL 58 4.723 -0.814 -5.296 462 HG23 VAL 58 HG23 VAL 58 3.718 0.622 -5.081 463 H SER 59 H SER 59 3.018 2.619 -8.828 464 HA SER 59 HA SER 59 4.892 2.628 -10.977 465 HB2 SER 59 HB2 SER 59 1.927 3.193 -11.112 466 HB3 SER 59 HB3 SER 59 2.986 3.009 -12.515 467 HG SER 59 HG SER 59 2.130 1.176 -10.633 468 H ASN 60 H ASN 60 3.403 4.929 -8.969 469 HA ASN 60 HA ASN 60 3.944 7.212 -10.580 470 HB2 ASN 60 HB2 ASN 60 2.098 7.104 -8.939 471 HB3 ASN 60 HB3 ASN 60 3.274 6.895 -7.651 472 HD21 ASN 60 HD21 ASN 60 3.696 9.004 -10.335 473 HD22 ASN 60 HD22 ASN 60 3.590 10.481 -9.434 474 H ASN 61 H ASN 61 5.372 5.428 -7.974 475 HA ASN 61 HA ASN 61 7.697 7.149 -7.711 476 HB2 ASN 61 HB2 ASN 61 6.539 5.909 -5.791 477 HB3 ASN 61 HB3 ASN 61 7.098 4.422 -6.519 478 HD21 ASN 61 HD21 ASN 61 8.358 3.794 -4.838 479 HD22 ASN 61 HD22 ASN 61 9.784 4.626 -4.352 480 H THR 62 H THR 62 9.853 5.724 -7.769 481 HA THR 62 HA THR 62 9.821 4.115 -10.211 482 HB THR 62 HB THR 62 12.217 5.003 -8.576 483 HG1 THR 62 HG1 THR 62 10.645 6.600 -9.620 484 HG21 THR 62 HG21 THR 62 11.942 4.128 -11.469 485 HG22 THR 62 HG22 THR 62 12.652 3.173 -10.169 486 HG23 THR 62 HG23 THR 62 13.436 4.660 -10.701 487 H SER 63 H SER 63 10.411 1.923 -10.127 488 HA SER 63 HA SER 63 10.126 0.688 -7.540 489 HB2 SER 63 HB2 SER 63 10.332 -0.517 -10.297 490 HB3 SER 63 HB3 SER 63 9.738 -1.304 -8.827 491 HG SER 63 HG SER 63 8.497 1.036 -9.275 Start of MODEL 10 1 H1 GLY -3 H1 GLY -3 7.184 10.957 15.507 2 H2 GLY -3 H2 GLY -3 5.556 10.927 15.053 3 H3 GLY -3 H3 GLY -3 6.485 9.517 14.970 4 HA2 GLY -3 HA3 GLY -3 6.718 9.507 17.355 5 HA3 GLY -3 HA2 GLY -3 5.780 10.996 17.418 6 H SER -2 H SER -2 5.639 7.630 16.317 7 HA SER -2 HA SER -2 3.056 7.290 17.472 8 HB2 SER -2 HB2 SER -2 3.437 6.923 14.465 9 HB3 SER -2 HB3 SER -2 1.997 6.471 15.371 10 HG SER -2 HG SER -2 2.721 9.031 15.811 11 H ALA -1 H ALA -1 3.052 5.238 18.258 12 HA ALA -1 HA ALA -1 5.342 3.594 17.713 13 HB1 ALA -1 HB1 ALA -1 3.025 3.064 19.582 14 HB2 ALA -1 HB2 ALA -1 4.532 3.863 20.027 15 HB3 ALA -1 HB3 ALA -1 4.547 2.172 19.523 16 H SER 0 H SER 0 4.888 3.240 15.548 17 HA SER 0 HA SER 0 3.593 0.774 15.037 18 HB2 SER 0 HB2 SER 0 1.660 2.369 14.934 19 HB3 SER 0 HB3 SER 0 2.533 3.304 13.721 20 HG SER 0 HG SER 0 0.934 1.312 13.349 21 H ASN 1 H ASN 1 4.425 -0.041 13.096 22 HA ASN 1 HA ASN 1 6.384 1.704 11.775 23 HB2 ASN 1 HB2 ASN 1 7.663 -0.281 11.116 24 HB3 ASN 1 HB3 ASN 1 7.411 -0.332 12.849 25 HD21 ASN 1 HD21 ASN 1 6.652 -1.748 9.805 26 HD22 ASN 1 HD22 ASN 1 5.869 -3.169 10.399 27 H THR 2 H THR 2 3.364 0.960 11.499 28 HA THR 2 HA THR 2 3.188 -0.200 8.938 29 HB THR 2 HB THR 2 1.125 1.216 10.631 30 HG1 THR 2 HG1 THR 2 1.724 -1.522 10.148 31 HG21 THR 2 HG21 THR 2 0.530 1.213 8.242 32 HG22 THR 2 HG22 THR 2 -0.522 0.123 9.148 33 HG23 THR 2 HG23 THR 2 0.813 -0.524 8.182 34 H ILE 3 H ILE 3 3.551 0.747 7.186 35 HA ILE 3 HA ILE 3 2.907 3.535 6.801 36 HB ILE 3 HB ILE 3 5.222 3.588 7.000 37 HG12 ILE 3 HG12 ILE 3 4.732 3.251 4.018 38 HG13 ILE 3 HG13 ILE 3 4.542 4.733 4.941 39 HG21 ILE 3 HG21 ILE 3 5.879 1.398 7.225 40 HG22 ILE 3 HG22 ILE 3 6.781 1.941 5.803 41 HG23 ILE 3 HG23 ILE 3 5.322 0.956 5.628 42 HD11 ILE 3 HD11 ILE 3 6.961 4.775 5.364 43 HD12 ILE 3 HD12 ILE 3 6.603 4.761 3.637 44 HD13 ILE 3 HD13 ILE 3 7.149 3.289 4.435 45 H LEU 4 H LEU 4 1.258 3.505 5.439 46 HA LEU 4 HA LEU 4 0.409 1.238 4.054 47 HB2 LEU 4 HB2 LEU 4 -0.375 4.109 3.616 48 HB3 LEU 4 HB3 LEU 4 -1.246 2.703 3.051 49 HG LEU 4 HG LEU 4 -0.927 3.670 5.879 50 HD11 LEU 4 HD11 LEU 4 -3.353 3.282 4.158 51 HD12 LEU 4 HD12 LEU 4 -2.611 4.823 4.595 52 HD13 LEU 4 HD13 LEU 4 -3.352 3.814 5.837 53 HD21 LEU 4 HD21 LEU 4 -2.295 1.722 6.551 54 HD22 LEU 4 HD22 LEU 4 -0.703 1.292 5.942 55 HD23 LEU 4 HD23 LEU 4 -2.125 1.067 4.914 56 H GLY 5 H GLY 5 1.275 0.369 2.381 57 HA2 GLY 5 HA2 GLY 5 1.656 0.592 -0.013 58 HA3 GLY 5 HA3 GLY 5 2.443 2.134 0.338 59 H ASP 6 H ASP 6 3.576 0.699 2.838 60 HA ASP 6 HA ASP 6 5.612 -0.781 1.412 61 HB2 ASP 6 HB2 ASP 6 6.581 1.283 2.069 62 HB3 ASP 6 HB3 ASP 6 5.967 1.147 3.701 63 H LEU 7 H LEU 7 4.890 -2.584 1.649 64 HA LEU 7 HA LEU 7 3.590 -3.648 3.985 65 HB2 LEU 7 HB2 LEU 7 4.242 -4.757 1.284 66 HB3 LEU 7 HB3 LEU 7 3.511 -5.728 2.531 67 HG LEU 7 HG LEU 7 1.519 -4.219 2.492 68 HD11 LEU 7 HD11 LEU 7 2.585 -2.177 1.635 69 HD12 LEU 7 HD12 LEU 7 1.184 -2.675 0.684 70 HD13 LEU 7 HD13 LEU 7 2.812 -2.986 0.083 71 HD21 LEU 7 HD21 LEU 7 0.685 -4.975 0.367 72 HD22 LEU 7 HD22 LEU 7 1.564 -6.249 1.223 73 HD23 LEU 7 HD23 LEU 7 2.318 -5.403 -0.128 74 H ASN 8 H ASN 8 6.651 -4.017 2.382 75 HA ASN 8 HA ASN 8 7.391 -6.208 4.153 76 HB2 ASN 8 HB2 ASN 8 9.452 -6.413 2.796 77 HB3 ASN 8 HB3 ASN 8 8.010 -6.536 1.807 78 HD21 ASN 8 HD21 ASN 8 10.671 -5.891 0.982 79 HD22 ASN 8 HD22 ASN 8 10.654 -4.287 0.346 80 H ASP 9 H ASP 9 7.403 -2.966 4.313 81 HA ASP 9 HA ASP 9 8.333 -1.441 5.580 82 HB2 ASP 9 HB2 ASP 9 7.655 -2.947 7.422 83 HB3 ASP 9 HB3 ASP 9 9.208 -3.764 7.290 84 H ASP 10 H ASP 10 9.609 -1.265 3.684 85 HA ASP 10 HA ASP 10 12.474 -1.468 4.316 86 HB2 ASP 10 HB2 ASP 10 13.005 -1.575 1.886 87 HB3 ASP 10 HB3 ASP 10 11.968 -2.905 2.402 88 H GLY 11 H GLY 11 9.929 0.587 3.957 89 HA2 GLY 11 HA2 GLY 11 10.091 2.843 4.517 90 HA3 GLY 11 HA3 GLY 11 11.745 2.866 3.916 91 H VAL 12 H VAL 12 9.940 1.331 1.582 92 HA VAL 12 HA VAL 12 9.011 3.784 0.360 93 HB VAL 12 HB VAL 12 11.389 3.891 -0.041 94 HG11 VAL 12 HG11 VAL 12 11.980 1.637 0.206 95 HG12 VAL 12 HG12 VAL 12 12.629 2.229 -1.330 96 HG13 VAL 12 HG13 VAL 12 11.199 1.185 -1.308 97 HG21 VAL 12 HG21 VAL 12 9.954 3.156 -2.591 98 HG22 VAL 12 HG22 VAL 12 11.483 4.030 -2.499 99 HG23 VAL 12 HG23 VAL 12 10.013 4.757 -1.850 100 H VAL 13 H VAL 13 7.630 3.488 -1.456 101 HA VAL 13 HA VAL 13 6.447 0.919 -1.680 102 HB VAL 13 HB VAL 13 4.885 2.058 -3.257 103 HG11 VAL 13 HG11 VAL 13 4.386 2.055 -0.883 104 HG12 VAL 13 HG12 VAL 13 3.854 3.571 -1.596 105 HG13 VAL 13 HG13 VAL 13 5.347 3.513 -0.653 106 HG21 VAL 13 HG21 VAL 13 6.287 3.734 -4.291 107 HG22 VAL 13 HG22 VAL 13 6.623 4.478 -2.748 108 HG23 VAL 13 HG23 VAL 13 5.002 4.589 -3.431 109 H ASN 14 H ASN 14 7.698 -0.592 -2.721 110 HA ASN 14 HA ASN 14 8.366 0.074 -5.474 111 HB2 ASN 14 HB2 ASN 14 10.469 -1.178 -5.408 112 HB3 ASN 14 HB3 ASN 14 10.480 0.135 -4.244 113 HD21 ASN 14 HD21 ASN 14 10.591 -0.308 -2.232 114 HD22 ASN 14 HD22 ASN 14 10.941 -1.847 -1.498 115 H GLY 15 H GLY 15 9.396 -2.398 -6.173 116 HA2 GLY 15 HA2 GLY 15 6.953 -3.667 -6.901 117 HA3 GLY 15 HA3 GLY 15 8.522 -4.229 -7.334 118 H ARG 16 H ARG 16 9.229 -4.248 -4.360 119 HA ARG 16 HA ARG 16 8.732 -6.990 -3.837 120 HB2 ARG 16 HB2 ARG 16 9.544 -4.696 -2.136 121 HB3 ARG 16 HB3 ARG 16 9.455 -6.315 -1.482 122 HG2 ARG 16 HG2 ARG 16 11.117 -5.498 -3.815 123 HG3 ARG 16 HG3 ARG 16 11.736 -5.535 -2.153 124 HD2 ARG 16 HD2 ARG 16 11.011 -7.957 -2.090 125 HD3 ARG 16 HD3 ARG 16 10.747 -7.855 -3.826 126 HE ARG 16 HE ARG 16 13.221 -7.025 -3.696 127 HH11 ARG 16 HH11 ARG 16 11.686 -9.753 -2.026 128 HH12 ARG 16 HH12 ARG 16 13.129 -10.638 -1.847 129 HH21 ARG 16 HH21 ARG 16 15.224 -8.326 -3.496 130 HH22 ARG 16 HH22 ARG 16 15.135 -9.833 -2.689 131 H ASP 17 H ASP 17 7.202 -4.027 -2.922 132 HA ASP 17 HA ASP 17 5.492 -5.002 -0.921 133 HB2 ASP 17 HB2 ASP 17 5.153 -2.657 -2.776 134 HB3 ASP 17 HB3 ASP 17 4.229 -2.934 -1.313 135 H ILE 18 H ILE 18 5.053 -4.437 -4.388 136 HA ILE 18 HA ILE 18 2.528 -5.318 -4.819 137 HB ILE 18 HB ILE 18 5.029 -5.631 -6.499 138 HG12 ILE 18 HG12 ILE 18 3.998 -4.024 -7.976 139 HG13 ILE 18 HG13 ILE 18 2.533 -4.015 -6.948 140 HG21 ILE 18 HG21 ILE 18 3.714 -6.349 -8.436 141 HG22 ILE 18 HG22 ILE 18 2.289 -6.480 -7.411 142 HG23 ILE 18 HG23 ILE 18 3.669 -7.541 -7.131 143 HD11 ILE 18 HD11 ILE 18 3.826 -3.008 -5.212 144 HD12 ILE 18 HD12 ILE 18 3.890 -2.056 -6.703 145 HD13 ILE 18 HD13 ILE 18 5.265 -3.061 -6.218 146 H VAL 19 H VAL 19 5.401 -7.267 -4.482 147 HA VAL 19 HA VAL 19 4.311 -9.817 -5.016 148 HB VAL 19 HB VAL 19 6.601 -9.245 -3.128 149 HG11 VAL 19 HG11 VAL 19 6.034 -11.654 -4.845 150 HG12 VAL 19 HG12 VAL 19 5.850 -11.553 -3.095 151 HG13 VAL 19 HG13 VAL 19 7.452 -11.420 -3.821 152 HG21 VAL 19 HG21 VAL 19 8.064 -9.465 -5.125 153 HG22 VAL 19 HG22 VAL 19 7.037 -8.033 -5.078 154 HG23 VAL 19 HG23 VAL 19 6.587 -9.393 -6.124 155 H MET 20 H MET 20 5.031 -8.196 -1.969 156 HA MET 20 HA MET 20 4.092 -10.127 -0.145 157 HB2 MET 20 HB2 MET 20 3.959 -7.140 0.306 158 HB3 MET 20 HB3 MET 20 4.098 -8.453 1.477 159 HG2 MET 20 HG2 MET 20 6.213 -7.898 -0.559 160 HG3 MET 20 HG3 MET 20 6.199 -7.061 0.967 161 HE1 MET 20 HE1 MET 20 6.865 -8.148 3.255 162 HE2 MET 20 HE2 MET 20 6.954 -9.886 3.529 163 HE3 MET 20 HE3 MET 20 5.413 -9.135 3.129 164 H MET 21 H MET 21 2.495 -7.420 -1.668 165 HA MET 21 HA MET 21 -0.026 -7.302 -0.537 166 HB2 MET 21 HB2 MET 21 0.971 -5.772 -2.225 167 HB3 MET 21 HB3 MET 21 0.798 -7.040 -3.412 168 HG2 MET 21 HG2 MET 21 -0.897 -5.629 -3.920 169 HG3 MET 21 HG3 MET 21 -1.769 -6.810 -2.970 170 HE1 MET 21 HE1 MET 21 -2.784 -6.177 -0.530 171 HE2 MET 21 HE2 MET 21 -2.452 -4.628 0.257 172 HE3 MET 21 HE3 MET 21 -1.165 -5.805 0.089 173 H ARG 22 H ARG 22 1.033 -9.045 -3.382 174 HA ARG 22 HA ARG 22 -1.403 -10.338 -3.923 175 HB2 ARG 22 HB2 ARG 22 1.392 -10.713 -4.911 176 HB3 ARG 22 HB3 ARG 22 0.026 -11.646 -5.535 177 HG2 ARG 22 HG2 ARG 22 -1.035 -9.660 -6.322 178 HG3 ARG 22 HG3 ARG 22 0.156 -8.648 -5.516 179 HD2 ARG 22 HD2 ARG 22 1.868 -9.349 -6.961 180 HD3 ARG 22 HD3 ARG 22 0.894 -10.610 -7.692 181 HE ARG 22 HE ARG 22 -0.260 -8.018 -7.940 182 HH11 ARG 22 HH11 ARG 22 2.139 -10.176 -9.399 183 HH12 ARG 22 HH12 ARG 22 2.051 -9.472 -10.952 184 HH21 ARG 22 HH21 ARG 22 -0.361 -7.007 -10.128 185 HH22 ARG 22 HH22 ARG 22 0.605 -7.633 -11.347 186 H GLN 23 H GLN 23 1.417 -11.266 -2.088 187 HA GLN 23 HA GLN 23 0.992 -14.018 -1.805 188 HB2 GLN 23 HB2 GLN 23 1.993 -12.080 0.266 189 HB3 GLN 23 HB3 GLN 23 2.188 -13.839 0.290 190 HG2 GLN 23 HG2 GLN 23 3.339 -12.008 -1.784 191 HG3 GLN 23 HG3 GLN 23 4.202 -12.612 -0.393 192 HE21 GLN 23 HE21 GLN 23 4.486 -13.149 -3.361 193 HE22 GLN 23 HE22 GLN 23 4.483 -14.894 -3.378 194 H TYR 24 H TYR 24 0.014 -11.356 0.336 195 HA TYR 24 HA TYR 24 -1.491 -13.006 2.042 196 HB2 TYR 24 HB2 TYR 24 -0.499 -10.838 2.614 197 HB3 TYR 24 HB3 TYR 24 -1.695 -10.027 1.664 198 HD1 TYR 24 HD1 TYR 24 -1.297 -12.219 4.607 199 HD2 TYR 24 HD2 TYR 24 -3.867 -9.639 2.446 200 HE1 TYR 24 HE1 TYR 24 -2.896 -12.288 6.456 201 HE2 TYR 24 HE2 TYR 24 -5.476 -9.678 4.255 202 HH TYR 24 HH TYR 24 -6.074 -11.140 6.150 203 H LEU 25 H LEU 25 -2.331 -10.898 -0.521 204 HA LEU 25 HA LEU 25 -5.139 -11.156 -0.536 205 HB2 LEU 25 HB2 LEU 25 -3.308 -10.807 -2.899 206 HB3 LEU 25 HB3 LEU 25 -5.050 -10.789 -3.036 207 HG LEU 25 HG LEU 25 -3.404 -8.839 -1.431 208 HD11 LEU 25 HD11 LEU 25 -4.042 -7.242 -3.155 209 HD12 LEU 25 HD12 LEU 25 -4.831 -8.532 -4.068 210 HD13 LEU 25 HD13 LEU 25 -3.083 -8.558 -3.829 211 HD21 LEU 25 HD21 LEU 25 -6.353 -8.908 -2.063 212 HD22 LEU 25 HD22 LEU 25 -5.514 -7.566 -1.302 213 HD23 LEU 25 HD23 LEU 25 -5.621 -9.119 -0.469 214 H ALA 26 H ALA 26 -2.773 -13.271 -2.007 215 HA ALA 26 HA ALA 26 -4.625 -15.080 -3.194 216 HB1 ALA 26 HB1 ALA 26 -1.779 -15.533 -2.335 217 HB2 ALA 26 HB2 ALA 26 -2.301 -14.932 -3.913 218 HB3 ALA 26 HB3 ALA 26 -2.695 -16.576 -3.420 219 H GLY 27 H GLY 27 -3.556 -14.620 0.017 220 HA2 GLY 27 HA2 GLY 27 -4.671 -15.559 1.840 221 HA3 GLY 27 HA3 GLY 27 -5.062 -16.941 0.817 222 H LYS 28 H LYS 28 -1.850 -15.644 0.820 223 HA LYS 28 HA LYS 28 -0.891 -18.096 2.060 224 HB2 LYS 28 HB2 LYS 28 0.776 -15.900 0.726 225 HB3 LYS 28 HB3 LYS 28 1.276 -17.494 1.196 226 HG2 LYS 28 HG2 LYS 28 -0.149 -18.486 -0.474 227 HG3 LYS 28 HG3 LYS 28 -0.761 -16.872 -0.888 228 HD2 LYS 28 HD2 LYS 28 1.519 -16.181 -1.439 229 HD3 LYS 28 HD3 LYS 28 2.079 -17.813 -1.116 230 HE2 LYS 28 HE2 LYS 28 0.677 -18.689 -2.885 231 HE3 LYS 28 HE3 LYS 28 0.037 -17.076 -3.207 232 HZ1 LYS 28 HZ1 LYS 28 1.765 -17.636 -4.767 233 HZ2 LYS 28 HZ2 LYS 28 2.856 -17.937 -3.532 234 HZ3 LYS 28 HZ3 LYS 28 2.300 -16.378 -3.786 235 H THR 29 H THR 29 0.763 -17.887 3.713 236 HA THR 29 HA THR 29 0.264 -15.615 5.476 237 HB THR 29 HB THR 29 2.105 -17.957 5.993 238 HG1 THR 29 HG1 THR 29 -0.316 -18.332 5.469 239 HG21 THR 29 HG21 THR 29 0.554 -16.124 7.830 240 HG22 THR 29 HG22 THR 29 2.280 -16.031 7.486 241 HG23 THR 29 HG23 THR 29 1.628 -17.430 8.340 242 H VAL 30 H VAL 30 1.550 -13.864 5.097 243 HA VAL 30 HA VAL 30 4.018 -14.356 3.689 244 HB VAL 30 HB VAL 30 3.169 -11.645 4.523 245 HG11 VAL 30 HG11 VAL 30 5.239 -11.917 3.322 246 HG12 VAL 30 HG12 VAL 30 4.088 -11.038 2.312 247 HG13 VAL 30 HG13 VAL 30 4.392 -12.751 2.019 248 HG21 VAL 30 HG21 VAL 30 1.055 -12.508 3.747 249 HG22 VAL 30 HG22 VAL 30 1.813 -13.150 2.293 250 HG23 VAL 30 HG23 VAL 30 1.706 -11.405 2.528 251 H SER 31 H SER 31 5.624 -14.809 4.985 252 HA SER 31 HA SER 31 5.583 -14.100 7.737 253 HB2 SER 31 HB2 SER 31 7.770 -15.393 6.104 254 HB3 SER 31 HB3 SER 31 7.564 -15.447 7.872 255 HG SER 31 HG SER 31 5.520 -16.419 7.437 256 H GLY 32 H GLY 32 6.164 -12.185 8.468 257 HA2 GLY 32 HA2 GLY 32 7.747 -10.524 8.958 258 HA3 GLY 32 HA3 GLY 32 8.602 -10.937 7.481 259 H ILE 33 H ILE 33 5.160 -10.371 7.426 260 HA ILE 33 HA ILE 33 5.641 -8.006 5.778 261 HB ILE 33 HB ILE 33 4.215 -9.967 4.898 262 HG12 ILE 33 HG12 ILE 33 2.746 -7.328 5.116 263 HG13 ILE 33 HG13 ILE 33 4.049 -7.623 3.990 264 HG21 ILE 33 HG21 ILE 33 2.259 -8.986 6.963 265 HG22 ILE 33 HG22 ILE 33 3.050 -10.564 6.927 266 HG23 ILE 33 HG23 ILE 33 1.890 -10.124 5.669 267 HD11 ILE 33 HD11 ILE 33 1.363 -9.028 4.026 268 HD12 ILE 33 HD12 ILE 33 2.691 -9.453 2.962 269 HD13 ILE 33 HD13 ILE 33 1.933 -7.877 2.816 270 H ASP 34 H ASP 34 4.519 -6.040 6.291 271 HA ASP 34 HA ASP 34 3.383 -6.003 8.992 272 HB2 ASP 34 HB2 ASP 34 4.859 -3.960 8.085 273 HB3 ASP 34 HB3 ASP 34 3.443 -3.637 7.137 274 H LYS 35 H LYS 35 1.488 -6.904 8.891 275 HA LYS 35 HA LYS 35 0.000 -7.188 6.543 276 HB2 LYS 35 HB2 LYS 35 0.087 -8.703 8.511 277 HB3 LYS 35 HB3 LYS 35 -0.993 -7.600 9.346 278 HG2 LYS 35 HG2 LYS 35 -2.658 -7.958 7.500 279 HG3 LYS 35 HG3 LYS 35 -1.575 -9.171 6.846 280 HD2 LYS 35 HD2 LYS 35 -2.744 -9.258 9.620 281 HD3 LYS 35 HD3 LYS 35 -3.353 -10.168 8.239 282 HE2 LYS 35 HE2 LYS 35 -1.232 -11.357 8.064 283 HE3 LYS 35 HE3 LYS 35 -0.568 -10.379 9.371 284 HZ1 LYS 35 HZ1 LYS 35 -2.826 -12.289 9.634 285 HZ2 LYS 35 HZ2 LYS 35 -2.190 -11.316 10.860 286 HZ3 LYS 35 HZ3 LYS 35 -1.240 -12.522 10.175 287 H ASN 36 H ASN 36 0.110 -4.623 8.738 288 HA ASN 36 HA ASN 36 -2.602 -3.703 8.423 289 HB2 ASN 36 HB2 ASN 36 -0.309 -2.106 9.525 290 HB3 ASN 36 HB3 ASN 36 -2.017 -2.001 9.907 291 HD21 ASN 36 HD21 ASN 36 0.963 -3.550 10.528 292 HD22 ASN 36 HD22 ASN 36 0.445 -4.473 11.899 293 H ALA 37 H ALA 37 0.544 -3.297 6.906 294 HA ALA 37 HA ALA 37 0.077 -0.660 5.883 295 HB1 ALA 37 HB1 ALA 37 2.322 -1.427 6.480 296 HB2 ALA 37 HB2 ALA 37 2.232 -0.967 4.780 297 HB3 ALA 37 HB3 ALA 37 2.223 -2.668 5.235 298 H LEU 38 H LEU 38 -1.103 -3.544 5.076 299 HA LEU 38 HA LEU 38 -1.003 -3.400 2.203 300 HB2 LEU 38 HB2 LEU 38 -2.491 -5.194 4.098 301 HB3 LEU 38 HB3 LEU 38 -2.727 -5.262 2.371 302 HG LEU 38 HG LEU 38 -0.305 -5.846 2.143 303 HD11 LEU 38 HD11 LEU 38 -0.517 -6.055 5.081 304 HD12 LEU 38 HD12 LEU 38 0.557 -5.006 4.155 305 HD13 LEU 38 HD13 LEU 38 0.770 -6.765 4.112 306 HD21 LEU 38 HD21 LEU 38 -1.981 -7.536 2.006 307 HD22 LEU 38 HD22 LEU 38 -2.071 -7.624 3.761 308 HD23 LEU 38 HD23 LEU 38 -0.607 -8.148 2.930 309 H ASP 39 H ASP 39 -3.043 -2.227 4.722 310 HA ASP 39 HA ASP 39 -5.234 -1.868 2.874 311 HB2 ASP 39 HB2 ASP 39 -5.809 -2.579 5.097 312 HB3 ASP 39 HB3 ASP 39 -4.998 -1.191 5.816 313 H ILE 40 H ILE 40 -4.026 -0.683 1.531 314 HA ILE 40 HA ILE 40 -2.797 1.791 2.212 315 HB ILE 40 HB ILE 40 -3.349 0.600 -0.523 316 HG12 ILE 40 HG12 ILE 40 -0.862 0.480 1.139 317 HG13 ILE 40 HG13 ILE 40 -2.058 -0.789 1.196 318 HG21 ILE 40 HG21 ILE 40 -2.778 3.007 -0.548 319 HG22 ILE 40 HG22 ILE 40 -1.473 2.037 -1.238 320 HG23 ILE 40 HG23 ILE 40 -1.331 2.673 0.403 321 HD11 ILE 40 HD11 ILE 40 -0.243 -1.394 -0.261 322 HD12 ILE 40 HD12 ILE 40 -0.501 0.064 -1.226 323 HD13 ILE 40 HD13 ILE 40 -1.733 -1.204 -1.173 324 H ASN 41 H ASN 41 -5.840 0.855 0.772 325 HA ASN 41 HA ASN 41 -6.452 3.597 0.101 326 HB2 ASN 41 HB2 ASN 41 -8.493 2.829 -0.896 327 HB3 ASN 41 HB3 ASN 41 -7.305 1.592 -1.258 328 HD21 ASN 41 HD21 ASN 41 -10.048 1.150 -1.387 329 HD22 ASN 41 HD22 ASN 41 -10.481 0.065 -0.111 330 H GLY 42 H GLY 42 -6.502 1.810 2.885 331 HA2 GLY 42 HA2 GLY 42 -7.217 2.274 5.014 332 HA3 GLY 42 HA3 GLY 42 -7.666 3.867 4.440 333 H ASP 43 H ASP 43 -8.861 0.522 4.063 334 HA ASP 43 HA ASP 43 -11.533 1.611 4.646 335 HB2 ASP 43 HB2 ASP 43 -12.627 -0.165 3.289 336 HB3 ASP 43 HB3 ASP 43 -11.631 0.903 2.321 337 H GLY 44 H GLY 44 -9.168 -0.488 5.734 338 HA2 GLY 44 HA2 GLY 44 -9.404 -1.432 7.925 339 HA3 GLY 44 HA3 GLY 44 -11.121 -1.604 7.600 340 H ALA 45 H ALA 45 -9.897 -2.624 4.830 341 HA ALA 45 HA ALA 45 -9.321 -5.359 5.740 342 HB1 ALA 45 HB1 ALA 45 -11.688 -5.195 5.102 343 HB2 ALA 45 HB2 ALA 45 -10.777 -6.221 3.990 344 HB3 ALA 45 HB3 ALA 45 -11.205 -4.579 3.521 345 H VAL 46 H VAL 46 -8.194 -6.662 3.986 346 HA VAL 46 HA VAL 46 -6.660 -4.925 2.282 347 HB VAL 46 HB VAL 46 -6.264 -7.830 3.042 348 HG11 VAL 46 HG11 VAL 46 -5.336 -7.258 0.939 349 HG12 VAL 46 HG12 VAL 46 -4.032 -7.458 2.142 350 HG13 VAL 46 HG13 VAL 46 -4.580 -5.830 1.650 351 HG21 VAL 46 HG21 VAL 46 -4.875 -5.361 4.093 352 HG22 VAL 46 HG22 VAL 46 -4.432 -7.025 4.470 353 HG23 VAL 46 HG23 VAL 46 -5.991 -6.385 4.995 354 H ASN 47 H ASN 47 -7.529 -4.726 0.225 355 HA ASN 47 HA ASN 47 -8.551 -7.118 -1.003 356 HB2 ASN 47 HB2 ASN 47 -10.255 -5.443 -2.097 357 HB3 ASN 47 HB3 ASN 47 -10.649 -6.215 -0.562 358 HD21 ASN 47 HD21 ASN 47 -10.889 -4.932 1.190 359 HD22 ASN 47 HD22 ASN 47 -10.898 -3.200 1.157 360 H GLY 48 H GLY 48 -9.058 -6.416 -3.402 361 HA2 GLY 48 HA2 GLY 48 -6.530 -5.912 -4.541 362 HA3 GLY 48 HA3 GLY 48 -8.013 -6.061 -5.449 363 H ARG 49 H ARG 49 -8.962 -3.793 -3.549 364 HA ARG 49 HA ARG 49 -8.453 -1.670 -5.378 365 HB2 ARG 49 HB2 ARG 49 -9.419 -1.339 -2.541 366 HB3 ARG 49 HB3 ARG 49 -9.701 -0.270 -3.908 367 HG2 ARG 49 HG2 ARG 49 -10.926 -2.332 -4.932 368 HG3 ARG 49 HG3 ARG 49 -10.830 -2.915 -3.299 369 HD2 ARG 49 HD2 ARG 49 -12.041 -0.248 -3.844 370 HD3 ARG 49 HD3 ARG 49 -12.996 -1.734 -3.823 371 HE ARG 49 HE ARG 49 -11.481 -1.650 -1.501 372 HH11 ARG 49 HH11 ARG 49 -14.205 0.145 -2.950 373 HH12 ARG 49 HH12 ARG 49 -14.847 0.626 -1.457 374 HH21 ARG 49 HH21 ARG 49 -12.418 -0.962 0.551 375 HH22 ARG 49 HH22 ARG 49 -13.853 -0.045 0.557 376 H ASP 50 H ASP 50 -7.068 -2.787 -2.379 377 HA ASP 50 HA ASP 50 -5.364 -0.564 -1.884 378 HB2 ASP 50 HB2 ASP 50 -5.147 -3.428 -0.989 379 HB3 ASP 50 HB3 ASP 50 -4.255 -2.059 -0.334 380 H LEU 51 H LEU 51 -5.150 -3.662 -3.441 381 HA LEU 51 HA LEU 51 -2.435 -3.704 -4.163 382 HB2 LEU 51 HB2 LEU 51 -3.689 -5.691 -4.487 383 HB3 LEU 51 HB3 LEU 51 -4.880 -4.871 -5.469 384 HG LEU 51 HG LEU 51 -3.246 -4.724 -7.322 385 HD11 LEU 51 HD11 LEU 51 -1.454 -6.453 -5.625 386 HD12 LEU 51 HD12 LEU 51 -1.166 -4.743 -5.956 387 HD13 LEU 51 HD13 LEU 51 -1.149 -5.915 -7.275 388 HD21 LEU 51 HD21 LEU 51 -3.246 -7.105 -7.878 389 HD22 LEU 51 HD22 LEU 51 -4.790 -6.581 -7.192 390 HD23 LEU 51 HD23 LEU 51 -3.624 -7.465 -6.191 391 H MET 52 H MET 52 -5.213 -2.385 -5.831 392 HA MET 52 HA MET 52 -3.674 -1.377 -7.997 393 HB2 MET 52 HB2 MET 52 -6.479 -0.678 -7.139 394 HB3 MET 52 HB3 MET 52 -5.735 -0.151 -8.648 395 HG2 MET 52 HG2 MET 52 -5.447 -2.517 -9.300 396 HG3 MET 52 HG3 MET 52 -6.245 -2.996 -7.809 397 HE1 MET 52 HE1 MET 52 -7.142 -0.006 -10.265 398 HE2 MET 52 HE2 MET 52 -8.274 -0.836 -11.342 399 HE3 MET 52 HE3 MET 52 -6.584 -1.334 -11.279 400 H GLU 53 H GLU 53 -4.487 -0.098 -4.877 401 HA GLU 53 HA GLU 53 -3.650 2.583 -5.360 402 HB2 GLU 53 HB2 GLU 53 -3.789 0.958 -2.829 403 HB3 GLU 53 HB3 GLU 53 -3.309 2.637 -2.862 404 HG2 GLU 53 HG2 GLU 53 -5.968 1.572 -3.756 405 HG3 GLU 53 HG3 GLU 53 -5.650 2.337 -2.204 406 H LEU 54 H LEU 54 -2.101 -0.338 -4.182 407 HA LEU 54 HA LEU 54 0.399 0.716 -3.632 408 HB2 LEU 54 HB2 LEU 54 -0.462 -1.527 -2.995 409 HB3 LEU 54 HB3 LEU 54 -0.244 -2.025 -4.648 410 HG LEU 54 HG LEU 54 2.147 -1.804 -4.494 411 HD11 LEU 54 HD11 LEU 54 1.622 -0.847 -1.685 412 HD12 LEU 54 HD12 LEU 54 2.269 0.128 -3.004 413 HD13 LEU 54 HD13 LEU 54 3.212 -1.211 -2.355 414 HD21 LEU 54 HD21 LEU 54 1.107 -3.870 -3.763 415 HD22 LEU 54 HD22 LEU 54 0.974 -3.236 -2.126 416 HD23 LEU 54 HD23 LEU 54 2.562 -3.530 -2.837 417 H ILE 55 H ILE 55 -0.856 -0.811 -6.511 418 HA ILE 55 HA ILE 55 1.402 -0.462 -8.197 419 HB ILE 55 HB ILE 55 -1.538 -0.537 -8.993 420 HG12 ILE 55 HG12 ILE 55 0.482 -2.809 -8.915 421 HG13 ILE 55 HG13 ILE 55 -0.722 -2.499 -7.679 422 HG21 ILE 55 HG21 ILE 55 -0.139 0.345 -10.803 423 HG22 ILE 55 HG22 ILE 55 -0.694 -1.285 -11.206 424 HG23 ILE 55 HG23 ILE 55 0.955 -1.030 -10.649 425 HD11 ILE 55 HD11 ILE 55 -1.327 -3.180 -10.554 426 HD12 ILE 55 HD12 ILE 55 -2.508 -2.950 -9.252 427 HD13 ILE 55 HD13 ILE 55 -1.382 -4.295 -9.192 428 H LYS 56 H LYS 56 -1.332 1.664 -7.551 429 HA LYS 56 HA LYS 56 -0.723 3.866 -9.136 430 HB2 LYS 56 HB2 LYS 56 -2.762 3.932 -8.033 431 HB3 LYS 56 HB3 LYS 56 -2.053 3.380 -6.535 432 HG2 LYS 56 HG2 LYS 56 -1.153 5.636 -6.133 433 HG3 LYS 56 HG3 LYS 56 -1.921 6.194 -7.637 434 HD2 LYS 56 HD2 LYS 56 -4.107 5.608 -6.777 435 HD3 LYS 56 HD3 LYS 56 -3.393 4.881 -5.348 436 HE2 LYS 56 HE2 LYS 56 -2.547 7.118 -4.690 437 HE3 LYS 56 HE3 LYS 56 -3.373 7.801 -6.090 438 HZ1 LYS 56 HZ1 LYS 56 -4.669 7.955 -3.982 439 HZ2 LYS 56 HZ2 LYS 56 -4.774 6.255 -3.973 440 HZ3 LYS 56 HZ3 LYS 56 -5.457 7.143 -5.223 441 H LYS 57 H LYS 57 0.429 3.086 -5.892 442 HA LYS 57 HA LYS 57 2.037 5.364 -5.463 443 HB2 LYS 57 HB2 LYS 57 2.271 2.594 -4.301 444 HB3 LYS 57 HB3 LYS 57 3.095 4.009 -3.675 445 HG2 LYS 57 HG2 LYS 57 0.113 3.551 -3.742 446 HG3 LYS 57 HG3 LYS 57 1.168 3.419 -2.336 447 HD2 LYS 57 HD2 LYS 57 0.677 5.945 -3.915 448 HD3 LYS 57 HD3 LYS 57 -0.113 5.522 -2.409 449 HE2 LYS 57 HE2 LYS 57 2.048 5.411 -1.246 450 HE3 LYS 57 HE3 LYS 57 2.877 5.878 -2.723 451 HZ1 LYS 57 HZ1 LYS 57 1.789 8.010 -2.672 452 HZ2 LYS 57 HZ2 LYS 57 2.487 7.752 -1.153 453 HZ3 LYS 57 HZ3 LYS 57 0.837 7.538 -1.372 454 H VAL 58 H VAL 58 2.954 2.070 -6.451 455 HA VAL 58 HA VAL 58 5.688 2.720 -6.788 456 HB VAL 58 HB VAL 58 4.066 0.392 -7.721 457 HG11 VAL 58 HG11 VAL 58 7.075 0.642 -7.304 458 HG12 VAL 58 HG12 VAL 58 6.268 0.467 -8.864 459 HG13 VAL 58 HG13 VAL 58 6.246 -0.865 -7.704 460 HG21 VAL 58 HG21 VAL 58 3.861 0.657 -5.364 461 HG22 VAL 58 HG22 VAL 58 5.592 0.884 -5.184 462 HG23 VAL 58 HG23 VAL 58 4.965 -0.700 -5.632 463 H SER 59 H SER 59 2.958 2.790 -8.936 464 HA SER 59 HA SER 59 4.480 2.926 -11.338 465 HB2 SER 59 HB2 SER 59 2.059 2.326 -11.337 466 HB3 SER 59 HB3 SER 59 1.661 3.962 -10.838 467 HG SER 59 HG SER 59 2.127 4.709 -12.777 468 H ASN 60 H ASN 60 3.439 5.181 -8.931 469 HA ASN 60 HA ASN 60 3.945 7.622 -10.295 470 HB2 ASN 60 HB2 ASN 60 2.381 7.283 -8.394 471 HB3 ASN 60 HB3 ASN 60 3.760 6.959 -7.364 472 HD21 ASN 60 HD21 ASN 60 1.987 9.278 -9.053 473 HD22 ASN 60 HD22 ASN 60 2.733 10.675 -8.349 474 H ASN 61 H ASN 61 5.536 5.636 -7.928 475 HA ASN 61 HA ASN 61 7.871 7.318 -7.662 476 HB2 ASN 61 HB2 ASN 61 6.704 6.150 -5.760 477 HB3 ASN 61 HB3 ASN 61 7.173 4.624 -6.477 478 HD21 ASN 61 HD21 ASN 61 8.373 3.937 -4.797 479 HD22 ASN 61 HD22 ASN 61 9.865 4.675 -4.345 480 H THR 62 H THR 62 10.008 5.942 -7.647 481 HA THR 62 HA THR 62 10.300 4.596 -10.169 482 HB THR 62 HB THR 62 12.330 4.913 -7.931 483 HG1 THR 62 HG1 THR 62 11.120 6.768 -9.492 484 HG21 THR 62 HG21 THR 62 12.943 3.391 -9.785 485 HG22 THR 62 HG22 THR 62 13.953 4.837 -9.767 486 HG23 THR 62 HG23 THR 62 12.639 4.691 -10.937 487 H SER 63 H SER 63 10.630 2.318 -10.320 488 HA SER 63 HA SER 63 9.732 0.799 -8.051 489 HB2 SER 63 HB2 SER 63 10.577 -0.122 -10.811 490 HB3 SER 63 HB3 SER 63 9.652 -1.051 -9.626 491 HG SER 63 HG SER 63 8.337 1.184 -9.918 Start of MODEL 11 1 H1 GLY -3 H1 GLY -3 7.241 6.110 13.778 2 H2 GLY -3 H2 GLY -3 8.398 6.498 12.611 3 H3 GLY -3 H3 GLY -3 8.685 6.828 14.242 4 HA2 GLY -3 HA3 GLY -3 8.371 4.113 13.101 5 HA3 GLY -3 HA2 GLY -3 9.905 4.863 13.534 6 H SER -2 H SER -2 9.897 2.774 14.847 7 HA SER -2 HA SER -2 10.059 1.798 16.832 8 HB2 SER -2 HB2 SER -2 9.208 4.475 17.961 9 HB3 SER -2 HB3 SER -2 9.868 3.142 18.913 10 HG SER -2 HG SER -2 11.652 3.301 17.238 11 H ALA -1 H ALA -1 8.897 0.220 17.491 12 HA ALA -1 HA ALA -1 7.268 -1.137 18.109 13 HB1 ALA -1 HB1 ALA -1 6.859 0.438 19.975 14 HB2 ALA -1 HB2 ALA -1 5.377 -0.360 19.450 15 HB3 ALA -1 HB3 ALA -1 5.700 1.306 18.970 16 H SER 0 H SER 0 5.206 1.496 17.002 17 HA SER 0 HA SER 0 4.048 -0.352 15.082 18 HB2 SER 0 HB2 SER 0 2.479 1.012 16.439 19 HB3 SER 0 HB3 SER 0 3.233 2.481 15.823 20 HG SER 0 HG SER 0 1.307 0.983 14.737 21 H ASN 1 H ASN 1 4.731 -0.302 13.074 22 HA ASN 1 HA ASN 1 6.042 2.121 12.108 23 HB2 ASN 1 HB2 ASN 1 7.816 0.744 11.033 24 HB3 ASN 1 HB3 ASN 1 7.822 0.586 12.780 25 HD21 ASN 1 HD21 ASN 1 7.392 -1.017 9.773 26 HD22 ASN 1 HD22 ASN 1 7.203 -2.600 10.428 27 H THR 2 H THR 2 3.389 1.072 11.747 28 HA THR 2 HA THR 2 3.218 -0.183 9.220 29 HB THR 2 HB THR 2 1.073 1.170 10.864 30 HG1 THR 2 HG1 THR 2 1.710 -1.578 10.471 31 HG21 THR 2 HG21 THR 2 -0.482 -0.098 9.432 32 HG22 THR 2 HG22 THR 2 0.911 -0.735 8.540 33 HG23 THR 2 HG23 THR 2 0.536 0.977 8.454 34 H ILE 3 H ILE 3 3.576 0.735 7.425 35 HA ILE 3 HA ILE 3 2.773 3.482 6.979 36 HB ILE 3 HB ILE 3 5.083 3.605 7.132 37 HG12 ILE 3 HG12 ILE 3 4.539 3.289 4.157 38 HG13 ILE 3 HG13 ILE 3 4.280 4.745 5.104 39 HG21 ILE 3 HG21 ILE 3 6.681 2.063 5.905 40 HG22 ILE 3 HG22 ILE 3 5.272 0.989 5.700 41 HG23 ILE 3 HG23 ILE 3 5.816 1.430 7.300 42 HD11 ILE 3 HD11 ILE 3 6.958 3.463 4.537 43 HD12 ILE 3 HD12 ILE 3 6.697 4.932 5.475 44 HD13 ILE 3 HD13 ILE 3 6.304 4.903 3.758 45 H LEU 4 H LEU 4 1.029 3.361 5.757 46 HA LEU 4 HA LEU 4 0.219 1.159 4.286 47 HB2 LEU 4 HB2 LEU 4 -0.622 4.030 3.970 48 HB3 LEU 4 HB3 LEU 4 -1.485 2.639 3.362 49 HG LEU 4 HG LEU 4 -1.134 3.483 6.230 50 HD11 LEU 4 HD11 LEU 4 -2.857 4.681 5.069 51 HD12 LEU 4 HD12 LEU 4 -3.567 3.576 6.248 52 HD13 LEU 4 HD13 LEU 4 -3.585 3.166 4.536 53 HD21 LEU 4 HD21 LEU 4 -0.886 1.110 6.182 54 HD22 LEU 4 HD22 LEU 4 -2.333 0.921 5.184 55 HD23 LEU 4 HD23 LEU 4 -2.471 1.501 6.850 56 H GLY 5 H GLY 5 1.048 0.350 2.536 57 HA2 GLY 5 HA2 GLY 5 1.383 0.657 0.146 58 HA3 GLY 5 HA3 GLY 5 2.159 2.189 0.534 59 H ASP 6 H ASP 6 3.376 0.672 2.949 60 HA ASP 6 HA ASP 6 5.440 -0.669 1.411 61 HB2 ASP 6 HB2 ASP 6 6.216 1.512 2.094 62 HB3 ASP 6 HB3 ASP 6 5.763 1.201 3.752 63 H LEU 7 H LEU 7 4.716 -2.546 1.694 64 HA LEU 7 HA LEU 7 3.583 -3.625 4.085 65 HB2 LEU 7 HB2 LEU 7 4.155 -4.709 1.357 66 HB3 LEU 7 HB3 LEU 7 3.503 -5.700 2.634 67 HG LEU 7 HG LEU 7 1.450 -4.281 2.653 68 HD11 LEU 7 HD11 LEU 7 2.638 -2.913 0.251 69 HD12 LEU 7 HD12 LEU 7 2.410 -2.172 1.834 70 HD13 LEU 7 HD13 LEU 7 1.011 -2.699 0.895 71 HD21 LEU 7 HD21 LEU 7 0.604 -5.001 0.511 72 HD22 LEU 7 HD22 LEU 7 1.538 -6.268 1.323 73 HD23 LEU 7 HD23 LEU 7 2.244 -5.364 -0.013 74 H ASN 8 H ASN 8 6.591 -3.897 2.344 75 HA ASN 8 HA ASN 8 7.504 -6.058 4.101 76 HB2 ASN 8 HB2 ASN 8 9.445 -6.280 2.672 77 HB3 ASN 8 HB3 ASN 8 8.019 -6.223 1.652 78 HD21 ASN 8 HD21 ASN 8 10.703 -5.719 0.916 79 HD22 ASN 8 HD22 ASN 8 10.855 -4.077 0.416 80 H ASP 9 H ASP 9 7.324 -2.855 4.218 81 HA ASP 9 HA ASP 9 8.204 -1.222 5.374 82 HB2 ASP 9 HB2 ASP 9 7.554 -2.623 7.284 83 HB3 ASP 9 HB3 ASP 9 9.137 -3.390 7.254 84 H ASP 10 H ASP 10 9.553 -1.071 3.487 85 HA ASP 10 HA ASP 10 12.292 -0.990 4.434 86 HB2 ASP 10 HB2 ASP 10 13.247 -1.553 2.251 87 HB3 ASP 10 HB3 ASP 10 12.141 -2.795 2.818 88 H GLY 11 H GLY 11 9.848 0.844 3.909 89 HA2 GLY 11 HA2 GLY 11 9.890 3.137 4.231 90 HA3 GLY 11 HA3 GLY 11 11.595 3.138 3.803 91 H VAL 12 H VAL 12 9.692 1.546 1.545 92 HA VAL 12 HA VAL 12 9.178 3.906 0.009 93 HB VAL 12 HB VAL 12 11.545 3.736 -0.414 94 HG11 VAL 12 HG11 VAL 12 11.923 1.469 0.223 95 HG12 VAL 12 HG12 VAL 12 12.628 1.773 -1.367 96 HG13 VAL 12 HG13 VAL 12 11.110 0.878 -1.226 97 HG21 VAL 12 HG21 VAL 12 11.629 3.449 -2.860 98 HG22 VAL 12 HG22 VAL 12 10.206 4.366 -2.360 99 HG23 VAL 12 HG23 VAL 12 10.047 2.669 -2.812 100 H VAL 13 H VAL 13 7.635 3.598 -1.493 101 HA VAL 13 HA VAL 13 6.376 1.080 -1.642 102 HB VAL 13 HB VAL 13 4.881 2.257 -3.326 103 HG11 VAL 13 HG11 VAL 13 4.291 2.131 -0.957 104 HG12 VAL 13 HG12 VAL 13 3.798 3.682 -1.621 105 HG13 VAL 13 HG13 VAL 13 5.250 3.571 -0.627 106 HG21 VAL 13 HG21 VAL 13 5.035 4.729 -3.475 107 HG22 VAL 13 HG22 VAL 13 6.462 3.943 -4.141 108 HG23 VAL 13 HG23 VAL 13 6.532 4.679 -2.544 109 H ASN 14 H ASN 14 7.387 -0.446 -2.610 110 HA ASN 14 HA ASN 14 8.464 0.044 -5.255 111 HB2 ASN 14 HB2 ASN 14 10.330 -1.584 -4.769 112 HB3 ASN 14 HB3 ASN 14 10.450 -0.004 -4.030 113 HD21 ASN 14 HD21 ASN 14 11.946 -1.033 -2.759 114 HD22 ASN 14 HD22 ASN 14 11.525 -1.913 -1.333 115 H GLY 15 H GLY 15 9.185 -2.171 -6.206 116 HA2 GLY 15 HA2 GLY 15 6.776 -3.510 -6.814 117 HA3 GLY 15 HA3 GLY 15 8.346 -4.004 -7.342 118 H ARG 16 H ARG 16 9.127 -4.039 -4.412 119 HA ARG 16 HA ARG 16 8.842 -6.791 -3.867 120 HB2 ARG 16 HB2 ARG 16 9.251 -4.602 -1.870 121 HB3 ARG 16 HB3 ARG 16 9.687 -6.278 -1.648 122 HG2 ARG 16 HG2 ARG 16 10.903 -4.414 -3.640 123 HG3 ARG 16 HG3 ARG 16 11.615 -4.792 -2.070 124 HD2 ARG 16 HD2 ARG 16 11.632 -7.208 -2.847 125 HD3 ARG 16 HD3 ARG 16 11.197 -6.591 -4.445 126 HE ARG 16 HE ARG 16 13.381 -5.159 -3.479 127 HH11 ARG 16 HH11 ARG 16 12.655 -8.332 -4.882 128 HH12 ARG 16 HH12 ARG 16 14.264 -8.652 -5.328 129 HH21 ARG 16 HH21 ARG 16 15.518 -5.565 -4.070 130 HH22 ARG 16 HH22 ARG 16 15.982 -7.017 -4.847 131 H ASP 17 H ASP 17 7.084 -3.894 -2.861 132 HA ASP 17 HA ASP 17 5.464 -5.015 -0.860 133 HB2 ASP 17 HB2 ASP 17 4.963 -2.614 -2.612 134 HB3 ASP 17 HB3 ASP 17 4.056 -3.018 -1.164 135 H ILE 18 H ILE 18 4.970 -4.416 -4.302 136 HA ILE 18 HA ILE 18 2.433 -5.346 -4.719 137 HB ILE 18 HB ILE 18 4.933 -5.532 -6.403 138 HG12 ILE 18 HG12 ILE 18 3.811 -3.949 -7.849 139 HG13 ILE 18 HG13 ILE 18 2.376 -4.004 -6.797 140 HG21 ILE 18 HG21 ILE 18 3.639 -6.272 -8.338 141 HG22 ILE 18 HG22 ILE 18 2.224 -6.472 -7.307 142 HG23 ILE 18 HG23 ILE 18 3.647 -7.477 -7.049 143 HD11 ILE 18 HD11 ILE 18 5.088 -2.951 -6.119 144 HD12 ILE 18 HD12 ILE 18 3.703 -3.022 -5.045 145 HD13 ILE 18 HD13 ILE 18 3.645 -2.011 -6.499 146 H VAL 19 H VAL 19 5.363 -7.201 -4.409 147 HA VAL 19 HA VAL 19 4.276 -9.751 -4.965 148 HB VAL 19 HB VAL 19 6.593 -9.235 -3.115 149 HG11 VAL 19 HG11 VAL 19 5.884 -11.533 -3.159 150 HG12 VAL 19 HG12 VAL 19 7.437 -11.380 -3.988 151 HG13 VAL 19 HG13 VAL 19 5.951 -11.556 -4.920 152 HG21 VAL 19 HG21 VAL 19 8.036 -9.362 -5.150 153 HG22 VAL 19 HG22 VAL 19 7.045 -7.924 -4.982 154 HG23 VAL 19 HG23 VAL 19 6.554 -9.194 -6.120 155 H MET 20 H MET 20 5.002 -8.096 -1.944 156 HA MET 20 HA MET 20 4.133 -10.035 -0.098 157 HB2 MET 20 HB2 MET 20 3.885 -7.047 0.299 158 HB3 MET 20 HB3 MET 20 4.068 -8.320 1.502 159 HG2 MET 20 HG2 MET 20 6.175 -7.713 -0.533 160 HG3 MET 20 HG3 MET 20 6.121 -6.872 0.992 161 HE1 MET 20 HE1 MET 20 6.792 -7.938 3.293 162 HE2 MET 20 HE2 MET 20 6.959 -9.674 3.560 163 HE3 MET 20 HE3 MET 20 5.389 -8.992 3.144 164 H MET 21 H MET 21 2.459 -7.342 -1.590 165 HA MET 21 HA MET 21 -0.093 -7.362 -0.527 166 HB2 MET 21 HB2 MET 21 0.889 -5.742 -2.158 167 HB3 MET 21 HB3 MET 21 0.774 -6.987 -3.380 168 HG2 MET 21 HG2 MET 21 -0.955 -5.614 -3.877 169 HG3 MET 21 HG3 MET 21 -1.816 -6.834 -2.974 170 HE1 MET 21 HE1 MET 21 -2.804 -6.287 -0.450 171 HE2 MET 21 HE2 MET 21 -2.521 -4.725 0.336 172 HE3 MET 21 HE3 MET 21 -1.192 -5.843 0.140 173 H ARG 22 H ARG 22 1.058 -8.920 -3.457 174 HA ARG 22 HA ARG 22 -1.251 -10.358 -4.061 175 HB2 ARG 22 HB2 ARG 22 1.591 -10.558 -4.942 176 HB3 ARG 22 HB3 ARG 22 0.357 -11.665 -5.562 177 HG2 ARG 22 HG2 ARG 22 -0.868 -9.792 -6.469 178 HG3 ARG 22 HG3 ARG 22 0.273 -8.659 -5.747 179 HD2 ARG 22 HD2 ARG 22 2.040 -9.445 -7.140 180 HD3 ARG 22 HD3 ARG 22 1.057 -10.754 -7.786 181 HE ARG 22 HE ARG 22 -0.348 -8.546 -8.400 182 HH11 ARG 22 HH11 ARG 22 3.020 -9.479 -9.031 183 HH12 ARG 22 HH12 ARG 22 3.151 -8.561 -10.461 184 HH21 ARG 22 HH21 ARG 22 -0.128 -7.273 -10.422 185 HH22 ARG 22 HH22 ARG 22 1.361 -7.337 -11.255 186 H GLN 23 H GLN 23 1.515 -11.218 -2.050 187 HA GLN 23 HA GLN 23 1.074 -13.997 -1.925 188 HB2 GLN 23 HB2 GLN 23 2.092 -12.176 0.211 189 HB3 GLN 23 HB3 GLN 23 2.318 -13.920 0.169 190 HG2 GLN 23 HG2 GLN 23 3.468 -11.893 -1.720 191 HG3 GLN 23 HG3 GLN 23 4.336 -12.750 -0.476 192 HE21 GLN 23 HE21 GLN 23 2.867 -13.019 -3.600 193 HE22 GLN 23 HE22 GLN 23 3.524 -14.568 -4.001 194 H TYR 24 H TYR 24 0.082 -11.387 0.270 195 HA TYR 24 HA TYR 24 -1.412 -13.072 1.959 196 HB2 TYR 24 HB2 TYR 24 -0.432 -10.873 2.517 197 HB3 TYR 24 HB3 TYR 24 -1.659 -10.102 1.563 198 HD1 TYR 24 HD1 TYR 24 -1.115 -12.081 4.614 199 HD2 TYR 24 HD2 TYR 24 -3.891 -9.880 2.297 200 HE1 TYR 24 HE1 TYR 24 -2.691 -12.113 6.487 201 HE2 TYR 24 HE2 TYR 24 -5.465 -9.879 4.102 202 HH TYR 24 HH TYR 24 -5.957 -11.189 6.099 203 H LEU 25 H LEU 25 -2.224 -10.965 -0.624 204 HA LEU 25 HA LEU 25 -5.043 -11.294 -0.712 205 HB2 LEU 25 HB2 LEU 25 -3.174 -10.834 -3.033 206 HB3 LEU 25 HB3 LEU 25 -4.914 -10.837 -3.185 207 HG LEU 25 HG LEU 25 -3.315 -8.900 -1.530 208 HD11 LEU 25 HD11 LEU 25 -2.957 -8.579 -3.917 209 HD12 LEU 25 HD12 LEU 25 -3.952 -7.273 -3.259 210 HD13 LEU 25 HD13 LEU 25 -4.700 -8.567 -4.188 211 HD21 LEU 25 HD21 LEU 25 -5.568 -9.197 -0.615 212 HD22 LEU 25 HD22 LEU 25 -6.258 -8.946 -2.222 213 HD23 LEU 25 HD23 LEU 25 -5.436 -7.626 -1.414 214 H ALA 26 H ALA 26 -2.533 -13.347 -1.983 215 HA ALA 26 HA ALA 26 -4.327 -15.170 -3.295 216 HB1 ALA 26 HB1 ALA 26 -2.004 -14.903 -4.043 217 HB2 ALA 26 HB2 ALA 26 -2.357 -16.577 -3.596 218 HB3 ALA 26 HB3 ALA 26 -1.452 -15.540 -2.491 219 H GLY 27 H GLY 27 -3.534 -14.635 -0.073 220 HA2 GLY 27 HA2 GLY 27 -4.572 -15.708 1.690 221 HA3 GLY 27 HA3 GLY 27 -4.812 -17.103 0.646 222 H LYS 28 H LYS 28 -1.654 -15.716 0.661 223 HA LYS 28 HA LYS 28 -0.620 -18.091 1.978 224 HB2 LYS 28 HB2 LYS 28 0.907 -15.787 0.731 225 HB3 LYS 28 HB3 LYS 28 1.551 -17.332 1.231 226 HG2 LYS 28 HG2 LYS 28 0.211 -18.430 -0.545 227 HG3 LYS 28 HG3 LYS 28 -0.379 -16.823 -1.007 228 HD2 LYS 28 HD2 LYS 28 1.452 -17.495 -2.495 229 HD3 LYS 28 HD3 LYS 28 1.920 -16.116 -1.498 230 HE2 LYS 28 HE2 LYS 28 3.145 -17.581 0.003 231 HE3 LYS 28 HE3 LYS 28 2.658 -18.991 -0.935 232 HZ1 LYS 28 HZ1 LYS 28 3.958 -18.164 -2.790 233 HZ2 LYS 28 HZ2 LYS 28 4.939 -18.166 -1.415 234 HZ3 LYS 28 HZ3 LYS 28 4.295 -16.736 -1.974 235 H THR 29 H THR 29 0.949 -17.864 3.654 236 HA THR 29 HA THR 29 0.436 -15.611 5.440 237 HB THR 29 HB THR 29 2.081 -18.124 5.935 238 HG1 THR 29 HG1 THR 29 -0.450 -18.011 5.544 239 HG21 THR 29 HG21 THR 29 2.558 -16.253 7.472 240 HG22 THR 29 HG22 THR 29 1.741 -17.572 8.312 241 HG23 THR 29 HG23 THR 29 0.841 -16.129 7.848 242 H VAL 30 H VAL 30 1.814 -13.907 5.158 243 HA VAL 30 HA VAL 30 4.317 -14.441 3.776 244 HB VAL 30 HB VAL 30 3.415 -11.706 4.497 245 HG11 VAL 30 HG11 VAL 30 4.409 -11.123 2.331 246 HG12 VAL 30 HG12 VAL 30 4.716 -12.829 2.043 247 HG13 VAL 30 HG13 VAL 30 5.543 -12.001 3.367 248 HG21 VAL 30 HG21 VAL 30 2.170 -13.288 2.253 249 HG22 VAL 30 HG22 VAL 30 2.018 -11.543 2.458 250 HG23 VAL 30 HG23 VAL 30 1.346 -12.636 3.670 251 H SER 31 H SER 31 6.089 -14.657 5.025 252 HA SER 31 HA SER 31 6.018 -13.882 7.742 253 HB2 SER 31 HB2 SER 31 8.384 -14.827 7.723 254 HB3 SER 31 HB3 SER 31 7.085 -15.941 7.301 255 HG SER 31 HG SER 31 8.801 -16.144 5.891 256 H GLY 32 H GLY 32 6.445 -11.975 8.501 257 HA2 GLY 32 HA2 GLY 32 7.773 -10.117 8.921 258 HA3 GLY 32 HA3 GLY 32 8.707 -10.490 7.480 259 H ILE 33 H ILE 33 5.203 -10.268 7.418 260 HA ILE 33 HA ILE 33 5.518 -7.891 5.760 261 HB ILE 33 HB ILE 33 4.253 -9.909 4.805 262 HG12 ILE 33 HG12 ILE 33 2.583 -7.409 5.104 263 HG13 ILE 33 HG13 ILE 33 3.927 -7.544 4.005 264 HG21 ILE 33 HG21 ILE 33 1.948 -10.299 5.539 265 HG22 ILE 33 HG22 ILE 33 2.179 -9.164 6.861 266 HG23 ILE 33 HG23 ILE 33 3.116 -10.657 6.813 267 HD11 ILE 33 HD11 ILE 33 1.394 -9.192 3.928 268 HD12 ILE 33 HD12 ILE 33 2.771 -9.430 2.871 269 HD13 ILE 33 HD13 ILE 33 1.852 -7.926 2.785 270 H ASP 34 H ASP 34 4.441 -5.977 6.331 271 HA ASP 34 HA ASP 34 3.334 -6.044 9.032 272 HB2 ASP 34 HB2 ASP 34 4.764 -3.959 8.092 273 HB3 ASP 34 HB3 ASP 34 3.248 -3.580 7.317 274 H LYS 35 H LYS 35 1.508 -7.093 8.876 275 HA LYS 35 HA LYS 35 -0.142 -7.220 6.704 276 HB2 LYS 35 HB2 LYS 35 -0.106 -8.883 8.441 277 HB3 LYS 35 HB3 LYS 35 -0.778 -7.755 9.603 278 HG2 LYS 35 HG2 LYS 35 -2.345 -8.190 7.182 279 HG3 LYS 35 HG3 LYS 35 -2.210 -9.600 8.252 280 HD2 LYS 35 HD2 LYS 35 -3.103 -8.280 10.087 281 HD3 LYS 35 HD3 LYS 35 -3.135 -6.834 9.072 282 HE2 LYS 35 HE2 LYS 35 -4.781 -7.837 7.638 283 HE3 LYS 35 HE3 LYS 35 -4.671 -9.358 8.508 284 HZ1 LYS 35 HZ1 LYS 35 -5.648 -6.797 9.707 285 HZ2 LYS 35 HZ2 LYS 35 -5.570 -8.291 10.468 286 HZ3 LYS 35 HZ3 LYS 35 -6.623 -8.069 9.185 287 H ASN 36 H ASN 36 0.006 -4.751 9.024 288 HA ASN 36 HA ASN 36 -2.652 -3.736 8.703 289 HB2 ASN 36 HB2 ASN 36 -0.303 -2.221 9.817 290 HB3 ASN 36 HB3 ASN 36 -2.007 -2.048 10.201 291 HD21 ASN 36 HD21 ASN 36 0.908 -3.701 10.800 292 HD22 ASN 36 HD22 ASN 36 0.393 -4.641 12.155 293 H ALA 37 H ALA 37 0.421 -3.419 7.035 294 HA ALA 37 HA ALA 37 -0.064 -0.731 6.060 295 HB1 ALA 37 HB1 ALA 37 2.205 -1.427 6.655 296 HB2 ALA 37 HB2 ALA 37 2.092 -0.968 4.957 297 HB3 ALA 37 HB3 ALA 37 2.142 -2.672 5.408 298 H LEU 38 H LEU 38 -1.215 -3.645 5.240 299 HA LEU 38 HA LEU 38 -0.988 -3.510 2.384 300 HB2 LEU 38 HB2 LEU 38 -2.579 -5.291 4.194 301 HB3 LEU 38 HB3 LEU 38 -2.789 -5.328 2.465 302 HG LEU 38 HG LEU 38 -0.372 -5.942 2.259 303 HD11 LEU 38 HD11 LEU 38 0.480 -5.156 4.288 304 HD12 LEU 38 HD12 LEU 38 0.645 -6.928 4.230 305 HD13 LEU 38 HD13 LEU 38 -0.646 -6.167 5.180 306 HD21 LEU 38 HD21 LEU 38 -2.185 -7.725 3.825 307 HD22 LEU 38 HD22 LEU 38 -0.734 -8.243 2.970 308 HD23 LEU 38 HD23 LEU 38 -2.104 -7.577 2.074 309 H ASP 39 H ASP 39 -3.239 -2.377 4.737 310 HA ASP 39 HA ASP 39 -5.229 -1.966 2.678 311 HB2 ASP 39 HB2 ASP 39 -6.017 -2.758 4.831 312 HB3 ASP 39 HB3 ASP 39 -5.306 -1.365 5.628 313 H ILE 40 H ILE 40 -4.075 -0.729 1.474 314 HA ILE 40 HA ILE 40 -2.781 1.668 2.254 315 HB ILE 40 HB ILE 40 -3.336 0.571 -0.527 316 HG12 ILE 40 HG12 ILE 40 -0.818 0.411 1.079 317 HG13 ILE 40 HG13 ILE 40 -2.044 -0.832 1.229 318 HG21 ILE 40 HG21 ILE 40 -1.312 2.609 0.439 319 HG22 ILE 40 HG22 ILE 40 -2.754 2.968 -0.513 320 HG23 ILE 40 HG23 ILE 40 -1.458 1.996 -1.211 321 HD11 ILE 40 HD11 ILE 40 -1.817 -1.309 -1.142 322 HD12 ILE 40 HD12 ILE 40 -0.296 -1.506 -0.283 323 HD13 ILE 40 HD13 ILE 40 -0.575 -0.063 -1.274 324 H ASN 41 H ASN 41 -5.901 0.944 0.751 325 HA ASN 41 HA ASN 41 -6.323 3.766 0.271 326 HB2 ASN 41 HB2 ASN 41 -8.383 3.203 -0.810 327 HB3 ASN 41 HB3 ASN 41 -7.262 1.929 -1.253 328 HD21 ASN 41 HD21 ASN 41 -10.053 1.846 -1.360 329 HD22 ASN 41 HD22 ASN 41 -10.600 0.598 -0.290 330 H GLY 42 H GLY 42 -6.424 1.838 2.894 331 HA2 GLY 42 HA2 GLY 42 -7.151 2.113 5.044 332 HA3 GLY 42 HA3 GLY 42 -7.460 3.783 4.611 333 H ASP 43 H ASP 43 -8.911 0.617 3.886 334 HA ASP 43 HA ASP 43 -11.485 1.897 4.484 335 HB2 ASP 43 HB2 ASP 43 -12.662 0.273 3.025 336 HB3 ASP 43 HB3 ASP 43 -11.510 1.239 2.130 337 H GLY 44 H GLY 44 -9.314 -0.415 5.520 338 HA2 GLY 44 HA2 GLY 44 -9.595 -1.368 7.669 339 HA3 GLY 44 HA3 GLY 44 -11.327 -1.403 7.372 340 H ALA 45 H ALA 45 -9.874 -2.487 4.587 341 HA ALA 45 HA ALA 45 -9.549 -5.251 5.487 342 HB1 ALA 45 HB1 ALA 45 -11.471 -4.451 3.305 343 HB2 ALA 45 HB2 ALA 45 -11.925 -5.039 4.906 344 HB3 ALA 45 HB3 ALA 45 -11.072 -6.101 3.782 345 H VAL 46 H VAL 46 -8.296 -6.550 4.053 346 HA VAL 46 HA VAL 46 -6.629 -5.040 2.291 347 HB VAL 46 HB VAL 46 -6.534 -7.930 3.177 348 HG11 VAL 46 HG11 VAL 46 -4.226 -7.826 2.361 349 HG12 VAL 46 HG12 VAL 46 -4.580 -6.199 1.730 350 HG13 VAL 46 HG13 VAL 46 -5.457 -7.605 1.106 351 HG21 VAL 46 HG21 VAL 46 -4.967 -5.554 4.181 352 HG22 VAL 46 HG22 VAL 46 -4.700 -7.233 4.654 353 HG23 VAL 46 HG23 VAL 46 -6.213 -6.428 5.067 354 H ASN 47 H ASN 47 -7.462 -4.785 0.375 355 HA ASN 47 HA ASN 47 -8.558 -7.062 -1.024 356 HB2 ASN 47 HB2 ASN 47 -10.374 -5.441 -1.919 357 HB3 ASN 47 HB3 ASN 47 -10.601 -6.257 -0.371 358 HD21 ASN 47 HD21 ASN 47 -11.882 -4.854 0.545 359 HD22 ASN 47 HD22 ASN 47 -11.519 -3.215 0.954 360 H GLY 48 H GLY 48 -9.201 -6.287 -3.394 361 HA2 GLY 48 HA2 GLY 48 -6.732 -5.767 -4.624 362 HA3 GLY 48 HA3 GLY 48 -8.254 -5.840 -5.474 363 H ARG 49 H ARG 49 -9.184 -3.653 -3.570 364 HA ARG 49 HA ARG 49 -8.725 -1.343 -5.099 365 HB2 ARG 49 HB2 ARG 49 -9.322 -1.648 -2.183 366 HB3 ARG 49 HB3 ARG 49 -9.401 -0.123 -3.024 367 HG2 ARG 49 HG2 ARG 49 -11.068 -2.464 -3.864 368 HG3 ARG 49 HG3 ARG 49 -11.561 -1.374 -2.568 369 HD2 ARG 49 HD2 ARG 49 -12.606 -0.637 -4.636 370 HD3 ARG 49 HD3 ARG 49 -11.371 0.525 -4.172 371 HE ARG 49 HE ARG 49 -10.876 -1.557 -6.165 372 HH11 ARG 49 HH11 ARG 49 -10.906 1.902 -5.285 373 HH12 ARG 49 HH12 ARG 49 -10.210 2.417 -6.749 374 HH21 ARG 49 HH21 ARG 49 -9.906 -0.783 -8.206 375 HH22 ARG 49 HH22 ARG 49 -9.624 0.875 -8.414 376 H ASP 50 H ASP 50 -7.105 -2.663 -2.255 377 HA ASP 50 HA ASP 50 -5.309 -0.520 -1.773 378 HB2 ASP 50 HB2 ASP 50 -5.061 -3.418 -0.987 379 HB3 ASP 50 HB3 ASP 50 -4.177 -2.054 -0.314 380 H LEU 51 H LEU 51 -5.181 -3.546 -3.441 381 HA LEU 51 HA LEU 51 -2.483 -3.612 -4.189 382 HB2 LEU 51 HB2 LEU 51 -3.850 -5.561 -4.510 383 HB3 LEU 51 HB3 LEU 51 -4.964 -4.668 -5.504 384 HG LEU 51 HG LEU 51 -3.331 -4.545 -7.314 385 HD11 LEU 51 HD11 LEU 51 -1.246 -5.774 -7.261 386 HD12 LEU 51 HD12 LEU 51 -1.578 -6.339 -5.638 387 HD13 LEU 51 HD13 LEU 51 -1.250 -4.620 -5.921 388 HD21 LEU 51 HD21 LEU 51 -3.373 -6.886 -7.917 389 HD22 LEU 51 HD22 LEU 51 -4.901 -6.395 -7.162 390 HD23 LEU 51 HD23 LEU 51 -3.687 -7.294 -6.229 391 H MET 52 H MET 52 -5.292 -2.281 -5.774 392 HA MET 52 HA MET 52 -3.875 -1.256 -7.977 393 HB2 MET 52 HB2 MET 52 -6.564 -0.508 -6.878 394 HB3 MET 52 HB3 MET 52 -5.928 0.117 -8.408 395 HG2 MET 52 HG2 MET 52 -5.689 -2.313 -9.107 396 HG3 MET 52 HG3 MET 52 -6.617 -2.704 -7.662 397 HE1 MET 52 HE1 MET 52 -6.944 0.283 -10.242 398 HE2 MET 52 HE2 MET 52 -8.196 -0.363 -11.298 399 HE3 MET 52 HE3 MET 52 -6.622 -1.151 -11.210 400 H GLU 53 H GLU 53 -4.635 0.104 -4.850 401 HA GLU 53 HA GLU 53 -3.680 2.724 -5.364 402 HB2 GLU 53 HB2 GLU 53 -3.877 1.130 -2.823 403 HB3 GLU 53 HB3 GLU 53 -3.323 2.784 -2.847 404 HG2 GLU 53 HG2 GLU 53 -6.053 1.816 -3.700 405 HG3 GLU 53 HG3 GLU 53 -5.653 2.643 -2.198 406 H LEU 54 H LEU 54 -2.192 -0.239 -4.241 407 HA LEU 54 HA LEU 54 0.345 0.771 -3.715 408 HB2 LEU 54 HB2 LEU 54 -0.586 -1.442 -3.049 409 HB3 LEU 54 HB3 LEU 54 -0.365 -1.968 -4.691 410 HG LEU 54 HG LEU 54 2.028 -1.807 -4.532 411 HD11 LEU 54 HD11 LEU 54 2.211 0.152 -3.102 412 HD12 LEU 54 HD12 LEU 54 3.107 -1.195 -2.392 413 HD13 LEU 54 HD13 LEU 54 1.524 -0.748 -1.756 414 HD21 LEU 54 HD21 LEU 54 0.841 -3.168 -2.124 415 HD22 LEU 54 HD22 LEU 54 2.419 -3.502 -2.833 416 HD23 LEU 54 HD23 LEU 54 0.952 -3.839 -3.749 417 H ILE 55 H ILE 55 -1.025 -0.703 -6.580 418 HA ILE 55 HA ILE 55 1.213 -0.508 -8.325 419 HB ILE 55 HB ILE 55 -1.731 -0.280 -9.060 420 HG12 ILE 55 HG12 ILE 55 0.056 -2.729 -9.098 421 HG13 ILE 55 HG13 ILE 55 -1.112 -2.361 -7.837 422 HG21 ILE 55 HG21 ILE 55 -1.035 -1.006 -11.316 423 HG22 ILE 55 HG22 ILE 55 0.649 -0.978 -10.799 424 HG23 ILE 55 HG23 ILE 55 -0.273 0.523 -10.866 425 HD11 ILE 55 HD11 ILE 55 -1.966 -4.011 -9.407 426 HD12 ILE 55 HD12 ILE 55 -1.756 -2.863 -10.733 427 HD13 ILE 55 HD13 ILE 55 -2.925 -2.533 -9.456 428 H LYS 56 H LYS 56 -1.409 1.752 -7.716 429 HA LYS 56 HA LYS 56 -0.669 3.949 -9.196 430 HB2 LYS 56 HB2 LYS 56 -2.702 4.041 -8.122 431 HB3 LYS 56 HB3 LYS 56 -2.035 3.432 -6.627 432 HG2 LYS 56 HG2 LYS 56 -1.074 5.650 -6.166 433 HG3 LYS 56 HG3 LYS 56 -1.809 6.260 -7.668 434 HD2 LYS 56 HD2 LYS 56 -4.011 5.690 -6.868 435 HD3 LYS 56 HD3 LYS 56 -3.331 4.917 -5.447 436 HE2 LYS 56 HE2 LYS 56 -2.503 7.082 -4.675 437 HE3 LYS 56 HE3 LYS 56 -3.207 7.847 -6.104 438 HZ1 LYS 56 HZ1 LYS 56 -5.368 7.240 -5.399 439 HZ2 LYS 56 HZ2 LYS 56 -4.624 7.929 -4.043 440 HZ3 LYS 56 HZ3 LYS 56 -4.789 6.264 -4.174 441 H LYS 57 H LYS 57 0.500 2.999 -6.014 442 HA LYS 57 HA LYS 57 2.152 5.251 -5.543 443 HB2 LYS 57 HB2 LYS 57 2.298 2.466 -4.405 444 HB3 LYS 57 HB3 LYS 57 3.177 3.839 -3.770 445 HG2 LYS 57 HG2 LYS 57 0.179 3.506 -3.829 446 HG3 LYS 57 HG3 LYS 57 1.213 3.286 -2.424 447 HD2 LYS 57 HD2 LYS 57 0.766 5.849 -3.945 448 HD3 LYS 57 HD3 LYS 57 0.058 5.439 -2.395 449 HE2 LYS 57 HE2 LYS 57 2.330 5.217 -1.407 450 HE3 LYS 57 HE3 LYS 57 3.015 5.785 -2.924 451 HZ1 LYS 57 HZ1 LYS 57 2.900 7.566 -1.382 452 HZ2 LYS 57 HZ2 LYS 57 1.290 7.300 -1.053 453 HZ3 LYS 57 HZ3 LYS 57 1.743 7.894 -2.572 454 H VAL 58 H VAL 58 2.897 1.968 -6.676 455 HA VAL 58 HA VAL 58 5.689 2.561 -6.991 456 HB VAL 58 HB VAL 58 4.022 0.217 -7.671 457 HG11 VAL 58 HG11 VAL 58 6.219 -1.105 -7.478 458 HG12 VAL 58 HG12 VAL 58 7.065 0.437 -7.317 459 HG13 VAL 58 HG13 VAL 58 6.213 0.050 -8.806 460 HG21 VAL 58 HG21 VAL 58 4.896 -0.714 -5.486 461 HG22 VAL 58 HG22 VAL 58 3.827 0.680 -5.359 462 HG23 VAL 58 HG23 VAL 58 5.568 0.887 -5.185 463 H SER 59 H SER 59 2.976 2.652 -9.030 464 HA SER 59 HA SER 59 4.542 2.658 -11.426 465 HB2 SER 59 HB2 SER 59 2.528 3.693 -12.578 466 HB3 SER 59 HB3 SER 59 2.182 2.185 -11.740 467 HG SER 59 HG SER 59 1.261 3.290 -10.114 468 H ASN 60 H ASN 60 3.490 4.991 -9.115 469 HA ASN 60 HA ASN 60 4.374 7.335 -10.426 470 HB2 ASN 60 HB2 ASN 60 2.687 7.227 -8.554 471 HB3 ASN 60 HB3 ASN 60 4.004 6.817 -7.464 472 HD21 ASN 60 HD21 ASN 60 3.981 9.061 -10.104 473 HD22 ASN 60 HD22 ASN 60 4.319 10.474 -9.160 474 H ASN 61 H ASN 61 5.634 5.586 -7.595 475 HA ASN 61 HA ASN 61 8.341 6.518 -8.208 476 HB2 ASN 61 HB2 ASN 61 7.564 6.729 -5.836 477 HB3 ASN 61 HB3 ASN 61 7.260 4.998 -5.809 478 HD21 ASN 61 HD21 ASN 61 9.055 3.608 -6.066 479 HD22 ASN 61 HD22 ASN 61 10.630 4.053 -5.480 480 H THR 62 H THR 62 9.248 5.168 -9.635 481 HA THR 62 HA THR 62 8.099 2.526 -9.750 482 HB THR 62 HB THR 62 7.984 4.031 -11.599 483 HG1 THR 62 HG1 THR 62 7.904 2.338 -12.869 484 HG21 THR 62 HG21 THR 62 9.947 4.311 -13.151 485 HG22 THR 62 HG22 THR 62 10.961 3.599 -11.895 486 HG23 THR 62 HG23 THR 62 10.130 5.124 -11.593 487 H SER 63 H SER 63 9.196 0.667 -9.662 488 HA SER 63 HA SER 63 11.860 0.825 -8.568 489 HB2 SER 63 HB2 SER 63 10.045 -1.571 -8.888 490 HB3 SER 63 HB3 SER 63 11.479 -1.442 -7.865 491 HG SER 63 HG SER 63 9.824 0.558 -7.328 Start of MODEL 12 1 H1 GLY -3 H1 GLY -3 10.396 -1.075 11.054 2 H2 GLY -3 H2 GLY -3 9.457 -1.505 9.735 3 H3 GLY -3 H3 GLY -3 9.030 -0.151 10.698 4 HA2 GLY -3 HA3 GLY -3 11.407 -0.428 8.977 5 HA3 GLY -3 HA2 GLY -3 9.996 0.576 8.649 6 H SER -2 H SER -2 12.489 1.687 8.690 7 HA SER -2 HA SER -2 13.258 2.738 11.207 8 HB2 SER -2 HB2 SER -2 13.915 3.740 8.433 9 HB3 SER -2 HB3 SER -2 14.848 3.988 9.912 10 HG SER -2 HG SER -2 14.766 1.508 9.890 11 H ALA -1 H ALA -1 12.009 4.170 12.272 12 HA ALA -1 HA ALA -1 10.579 5.817 12.808 13 HB1 ALA -1 HB1 ALA -1 12.604 7.106 12.260 14 HB2 ALA -1 HB2 ALA -1 11.128 8.030 11.963 15 HB3 ALA -1 HB3 ALA -1 12.008 7.315 10.613 16 H SER 0 H SER 0 8.817 4.469 11.956 17 HA SER 0 HA SER 0 7.121 6.037 10.248 18 HB2 SER 0 HB2 SER 0 7.863 3.193 9.462 19 HB3 SER 0 HB3 SER 0 6.637 4.181 8.669 20 HG SER 0 HG SER 0 8.896 5.534 8.835 21 H ASN 1 H ASN 1 4.960 5.622 10.734 22 HA ASN 1 HA ASN 1 4.400 3.814 12.962 23 HB2 ASN 1 HB2 ASN 1 3.287 6.047 12.946 24 HB3 ASN 1 HB3 ASN 1 2.566 5.679 11.391 25 HD21 ASN 1 HD21 ASN 1 2.436 5.131 14.815 26 HD22 ASN 1 HD22 ASN 1 0.882 4.385 14.816 27 H THR 2 H THR 2 2.105 4.146 10.394 28 HA THR 2 HA THR 2 2.881 1.544 9.415 29 HB THR 2 HB THR 2 0.067 2.613 9.685 30 HG1 THR 2 HG1 THR 2 1.315 1.800 11.618 31 HG21 THR 2 HG21 THR 2 -0.608 0.373 8.904 32 HG22 THR 2 HG22 THR 2 1.098 -0.089 8.821 33 HG23 THR 2 HG23 THR 2 0.482 1.144 7.737 34 H ILE 3 H ILE 3 3.535 1.826 7.409 35 HA ILE 3 HA ILE 3 2.592 4.221 6.070 36 HB ILE 3 HB ILE 3 4.910 4.408 6.258 37 HG12 ILE 3 HG12 ILE 3 4.438 3.366 3.443 38 HG13 ILE 3 HG13 ILE 3 4.125 4.999 4.005 39 HG21 ILE 3 HG21 ILE 3 5.632 2.346 6.957 40 HG22 ILE 3 HG22 ILE 3 6.511 2.603 5.441 41 HG23 ILE 3 HG23 ILE 3 5.092 1.544 5.498 42 HD11 ILE 3 HD11 ILE 3 6.192 4.865 2.710 43 HD12 ILE 3 HD12 ILE 3 6.852 3.698 3.856 44 HD13 ILE 3 HD13 ILE 3 6.511 5.347 4.372 45 H LEU 4 H LEU 4 0.924 3.816 5.025 46 HA LEU 4 HA LEU 4 0.169 1.369 3.927 47 HB2 LEU 4 HB2 LEU 4 -0.817 4.139 3.316 48 HB3 LEU 4 HB3 LEU 4 -1.633 2.650 2.910 49 HG LEU 4 HG LEU 4 -1.206 3.834 5.644 50 HD11 LEU 4 HD11 LEU 4 -3.700 3.195 4.113 51 HD12 LEU 4 HD12 LEU 4 -3.040 4.796 4.436 52 HD13 LEU 4 HD13 LEU 4 -3.634 3.796 5.767 53 HD21 LEU 4 HD21 LEU 4 -0.822 1.463 5.803 54 HD22 LEU 4 HD22 LEU 4 -2.344 1.116 4.969 55 HD23 LEU 4 HD23 LEU 4 -2.358 1.871 6.569 56 H GLY 5 H GLY 5 1.019 0.427 2.279 57 HA2 GLY 5 HA2 GLY 5 1.283 0.507 -0.152 58 HA3 GLY 5 HA3 GLY 5 2.030 2.089 0.076 59 H ASP 6 H ASP 6 3.235 0.801 2.634 60 HA ASP 6 HA ASP 6 5.361 -0.579 1.208 61 HB2 ASP 6 HB2 ASP 6 6.114 1.610 1.908 62 HB3 ASP 6 HB3 ASP 6 5.569 1.304 3.544 63 H LEU 7 H LEU 7 4.635 -2.465 1.473 64 HA LEU 7 HA LEU 7 3.424 -3.514 3.838 65 HB2 LEU 7 HB2 LEU 7 4.043 -4.602 1.133 66 HB3 LEU 7 HB3 LEU 7 3.408 -5.613 2.405 67 HG LEU 7 HG LEU 7 1.354 -4.211 2.455 68 HD11 LEU 7 HD11 LEU 7 2.315 -2.106 1.601 69 HD12 LEU 7 HD12 LEU 7 0.875 -2.643 0.740 70 HD13 LEU 7 HD13 LEU 7 2.462 -2.858 0.006 71 HD21 LEU 7 HD21 LEU 7 2.142 -5.304 -0.197 72 HD22 LEU 7 HD22 LEU 7 0.504 -4.945 0.330 73 HD23 LEU 7 HD23 LEU 7 1.448 -6.199 1.153 74 H ASN 8 H ASN 8 6.492 -3.835 2.228 75 HA ASN 8 HA ASN 8 7.281 -5.917 4.127 76 HB2 ASN 8 HB2 ASN 8 9.341 -6.158 2.816 77 HB3 ASN 8 HB3 ASN 8 7.944 -6.231 1.762 78 HD21 ASN 8 HD21 ASN 8 10.518 -5.726 1.010 79 HD22 ASN 8 HD22 ASN 8 10.711 -4.153 0.360 80 H ASP 9 H ASP 9 7.007 -2.840 4.236 81 HA ASP 9 HA ASP 9 7.865 -1.061 5.131 82 HB2 ASP 9 HB2 ASP 9 8.165 -1.045 7.576 83 HB3 ASP 9 HB3 ASP 9 6.767 -1.980 7.098 84 H ASP 10 H ASP 10 9.427 -1.161 3.508 85 HA ASP 10 HA ASP 10 12.097 -1.075 4.717 86 HB2 ASP 10 HB2 ASP 10 13.128 -1.716 2.687 87 HB3 ASP 10 HB3 ASP 10 11.730 -2.761 2.824 88 H GLY 11 H GLY 11 9.642 0.849 3.834 89 HA2 GLY 11 HA2 GLY 11 9.719 3.133 4.265 90 HA3 GLY 11 HA3 GLY 11 11.437 3.133 3.888 91 H VAL 12 H VAL 12 9.615 1.541 1.528 92 HA VAL 12 HA VAL 12 9.009 3.919 0.062 93 HB VAL 12 HB VAL 12 11.389 3.917 -0.334 94 HG11 VAL 12 HG11 VAL 12 11.148 1.082 -1.269 95 HG12 VAL 12 HG12 VAL 12 11.888 1.666 0.222 96 HG13 VAL 12 HG13 VAL 12 12.613 2.077 -1.338 97 HG21 VAL 12 HG21 VAL 12 10.000 2.865 -2.801 98 HG22 VAL 12 HG22 VAL 12 11.534 3.730 -2.788 99 HG23 VAL 12 HG23 VAL 12 10.057 4.548 -2.279 100 H VAL 13 H VAL 13 7.467 3.583 -1.529 101 HA VAL 13 HA VAL 13 6.344 1.022 -1.739 102 HB VAL 13 HB VAL 13 4.808 2.134 -3.417 103 HG11 VAL 13 HG11 VAL 13 3.698 3.592 -1.741 104 HG12 VAL 13 HG12 VAL 13 5.144 3.492 -0.740 105 HG13 VAL 13 HG13 VAL 13 4.201 2.046 -1.079 106 HG21 VAL 13 HG21 VAL 13 6.364 4.632 -2.698 107 HG22 VAL 13 HG22 VAL 13 4.889 4.588 -3.653 108 HG23 VAL 13 HG23 VAL 13 6.363 3.841 -4.270 109 H ASN 14 H ASN 14 7.395 -0.476 -2.684 110 HA ASN 14 HA ASN 14 8.562 -0.001 -5.295 111 HB2 ASN 14 HB2 ASN 14 10.434 -1.594 -4.681 112 HB3 ASN 14 HB3 ASN 14 10.502 0.023 -4.026 113 HD21 ASN 14 HD21 ASN 14 11.915 -0.788 -2.640 114 HD22 ASN 14 HD22 ASN 14 11.525 -1.558 -1.154 115 H GLY 15 H GLY 15 9.383 -2.236 -6.175 116 HA2 GLY 15 HA2 GLY 15 7.028 -3.612 -6.918 117 HA3 GLY 15 HA3 GLY 15 8.622 -4.137 -7.314 118 H ARG 16 H ARG 16 9.324 -4.137 -4.448 119 HA ARG 16 HA ARG 16 8.922 -6.827 -3.760 120 HB2 ARG 16 HB2 ARG 16 9.539 -4.440 -2.086 121 HB3 ARG 16 HB3 ARG 16 9.690 -6.059 -1.462 122 HG2 ARG 16 HG2 ARG 16 11.265 -4.854 -3.724 123 HG3 ARG 16 HG3 ARG 16 11.856 -5.112 -2.084 124 HD2 ARG 16 HD2 ARG 16 11.455 -7.559 -2.426 125 HD3 ARG 16 HD3 ARG 16 11.081 -7.201 -4.114 126 HE ARG 16 HE ARG 16 13.634 -6.354 -2.998 127 HH11 ARG 16 HH11 ARG 16 11.916 -8.334 -5.354 128 HH12 ARG 16 HH12 ARG 16 13.285 -9.025 -6.056 129 HH21 ARG 16 HH21 ARG 16 15.582 -7.288 -3.961 130 HH22 ARG 16 HH22 ARG 16 15.445 -8.389 -5.237 131 H ASP 17 H ASP 17 7.113 -3.880 -2.959 132 HA ASP 17 HA ASP 17 5.482 -4.985 -0.939 133 HB2 ASP 17 HB2 ASP 17 4.960 -2.629 -2.742 134 HB3 ASP 17 HB3 ASP 17 4.066 -3.028 -1.286 135 H ILE 18 H ILE 18 5.108 -4.478 -4.402 136 HA ILE 18 HA ILE 18 2.574 -5.382 -4.882 137 HB ILE 18 HB ILE 18 5.116 -5.730 -6.498 138 HG12 ILE 18 HG12 ILE 18 4.116 -4.144 -8.020 139 HG13 ILE 18 HG13 ILE 18 2.638 -4.118 -7.028 140 HG21 ILE 18 HG21 ILE 18 2.368 -6.520 -7.457 141 HG22 ILE 18 HG22 ILE 18 3.653 -7.642 -7.050 142 HG23 ILE 18 HG23 ILE 18 3.851 -6.533 -8.416 143 HD11 ILE 18 HD11 ILE 18 4.008 -2.149 -6.797 144 HD12 ILE 18 HD12 ILE 18 5.337 -3.146 -6.183 145 HD13 ILE 18 HD13 ILE 18 3.830 -3.036 -5.291 146 H VAL 19 H VAL 19 5.477 -7.277 -4.529 147 HA VAL 19 HA VAL 19 4.406 -9.824 -4.978 148 HB VAL 19 HB VAL 19 6.615 -9.259 -3.008 149 HG11 VAL 19 HG11 VAL 19 7.500 -11.413 -3.750 150 HG12 VAL 19 HG12 VAL 19 6.125 -11.598 -4.835 151 HG13 VAL 19 HG13 VAL 19 5.869 -11.563 -3.094 152 HG21 VAL 19 HG21 VAL 19 8.176 -9.416 -4.935 153 HG22 VAL 19 HG22 VAL 19 7.180 -7.977 -4.890 154 HG23 VAL 19 HG23 VAL 19 6.772 -9.281 -6.015 155 H MET 20 H MET 20 5.019 -8.110 -1.948 156 HA MET 20 HA MET 20 4.094 -10.015 -0.099 157 HB2 MET 20 HB2 MET 20 3.837 -7.028 0.273 158 HB3 MET 20 HB3 MET 20 4.039 -8.280 1.495 159 HG2 MET 20 HG2 MET 20 6.124 -7.599 -0.557 160 HG3 MET 20 HG3 MET 20 6.066 -6.863 1.027 161 HE1 MET 20 HE1 MET 20 7.021 -9.714 3.412 162 HE2 MET 20 HE2 MET 20 5.460 -8.951 3.080 163 HE3 MET 20 HE3 MET 20 6.914 -7.971 3.187 164 H MET 21 H MET 21 2.447 -7.368 -1.695 165 HA MET 21 HA MET 21 -0.091 -7.320 -0.566 166 HB2 MET 21 HB2 MET 21 0.908 -5.752 -2.278 167 HB3 MET 21 HB3 MET 21 0.658 -7.021 -3.456 168 HG2 MET 21 HG2 MET 21 -1.064 -5.595 -3.876 169 HG3 MET 21 HG3 MET 21 -1.864 -6.802 -2.890 170 HE1 MET 21 HE1 MET 21 -2.891 -6.203 -0.467 171 HE2 MET 21 HE2 MET 21 -2.513 -4.690 0.367 172 HE3 MET 21 HE3 MET 21 -1.262 -5.894 0.161 173 H ARG 22 H ARG 22 1.056 -8.963 -3.431 174 HA ARG 22 HA ARG 22 -1.390 -10.235 -4.022 175 HB2 ARG 22 HB2 ARG 22 1.379 -10.679 -5.093 176 HB3 ARG 22 HB3 ARG 22 -0.100 -11.317 -5.830 177 HG2 ARG 22 HG2 ARG 22 -0.863 -9.010 -6.189 178 HG3 ARG 22 HG3 ARG 22 0.610 -8.412 -5.441 179 HD2 ARG 22 HD2 ARG 22 1.034 -8.266 -7.750 180 HD3 ARG 22 HD3 ARG 22 1.844 -9.734 -7.232 181 HE ARG 22 HE ARG 22 -0.682 -10.466 -7.962 182 HH11 ARG 22 HH11 ARG 22 2.194 -9.123 -9.611 183 HH12 ARG 22 HH12 ARG 22 1.767 -9.740 -11.131 184 HH21 ARG 22 HH21 ARG 22 -1.218 -11.321 -10.108 185 HH22 ARG 22 HH22 ARG 22 -0.175 -11.014 -11.412 186 H GLN 23 H GLN 23 1.358 -11.158 -2.080 187 HA GLN 23 HA GLN 23 0.896 -13.941 -1.991 188 HB2 GLN 23 HB2 GLN 23 1.928 -12.187 0.197 189 HB3 GLN 23 HB3 GLN 23 2.144 -13.921 0.071 190 HG2 GLN 23 HG2 GLN 23 3.322 -11.817 -1.700 191 HG3 GLN 23 HG3 GLN 23 4.150 -12.696 -0.446 192 HE21 GLN 23 HE21 GLN 23 5.647 -13.538 -1.746 193 HE22 GLN 23 HE22 GLN 23 5.328 -14.751 -2.946 194 H TYR 24 H TYR 24 0.012 -11.354 0.326 195 HA TYR 24 HA TYR 24 -1.522 -13.003 1.979 196 HB2 TYR 24 HB2 TYR 24 -0.577 -10.838 2.563 197 HB3 TYR 24 HB3 TYR 24 -1.699 -10.004 1.565 198 HD1 TYR 24 HD1 TYR 24 -4.098 -9.905 2.120 199 HD2 TYR 24 HD2 TYR 24 -1.338 -11.791 4.743 200 HE1 TYR 24 HE1 TYR 24 -5.772 -9.881 3.862 201 HE2 TYR 24 HE2 TYR 24 -3.037 -11.767 6.530 202 HH TYR 24 HH TYR 24 -6.290 -11.088 5.824 203 H LEU 25 H LEU 25 -2.348 -10.953 -0.632 204 HA LEU 25 HA LEU 25 -5.159 -11.258 -0.684 205 HB2 LEU 25 HB2 LEU 25 -3.318 -10.929 -3.055 206 HB3 LEU 25 HB3 LEU 25 -5.061 -10.858 -3.156 207 HG LEU 25 HG LEU 25 -3.289 -8.929 -1.648 208 HD11 LEU 25 HD11 LEU 25 -4.828 -8.624 -4.209 209 HD12 LEU 25 HD12 LEU 25 -3.072 -8.677 -4.035 210 HD13 LEU 25 HD13 LEU 25 -3.996 -7.337 -3.346 211 HD21 LEU 25 HD21 LEU 25 -5.306 -7.580 -1.375 212 HD22 LEU 25 HD22 LEU 25 -5.496 -9.138 -0.570 213 HD23 LEU 25 HD23 LEU 25 -6.270 -8.838 -2.132 214 H ALA 26 H ALA 26 -2.689 -13.381 -1.985 215 HA ALA 26 HA ALA 26 -4.544 -15.217 -3.190 216 HB1 ALA 26 HB1 ALA 26 -2.290 -14.904 -4.080 217 HB2 ALA 26 HB2 ALA 26 -2.587 -16.588 -3.635 218 HB3 ALA 26 HB3 ALA 26 -1.624 -15.548 -2.581 219 H GLY 27 H GLY 27 -3.435 -14.685 -0.042 220 HA2 GLY 27 HA2 GLY 27 -4.370 -15.775 1.794 221 HA3 GLY 27 HA3 GLY 27 -4.605 -17.184 0.769 222 H LYS 28 H LYS 28 -1.525 -15.672 0.592 223 HA LYS 28 HA LYS 28 -0.336 -18.027 1.851 224 HB2 LYS 28 HB2 LYS 28 1.100 -15.750 0.498 225 HB3 LYS 28 HB3 LYS 28 1.725 -17.323 0.876 226 HG2 LYS 28 HG2 LYS 28 0.217 -18.357 -0.759 227 HG3 LYS 28 HG3 LYS 28 -0.438 -16.751 -1.114 228 HD2 LYS 28 HD2 LYS 28 1.170 -17.311 -2.834 229 HD3 LYS 28 HD3 LYS 28 1.809 -16.024 -1.820 230 HE2 LYS 28 HE2 LYS 28 3.541 -17.648 -2.341 231 HE3 LYS 28 HE3 LYS 28 3.204 -17.639 -0.618 232 HZ1 LYS 28 HZ1 LYS 28 1.918 -19.652 -0.879 233 HZ2 LYS 28 HZ2 LYS 28 3.442 -19.890 -1.537 234 HZ3 LYS 28 HZ3 LYS 28 2.121 -19.630 -2.546 235 H THR 29 H THR 29 1.169 -17.834 3.487 236 HA THR 29 HA THR 29 0.886 -15.551 5.230 237 HB THR 29 HB THR 29 2.632 -18.033 5.470 238 HG1 THR 29 HG1 THR 29 -0.017 -17.450 6.086 239 HG21 THR 29 HG21 THR 29 1.819 -16.021 7.581 240 HG22 THR 29 HG22 THR 29 3.414 -16.121 6.845 241 HG23 THR 29 HG23 THR 29 2.818 -17.452 7.843 242 H VAL 30 H VAL 30 2.330 -13.857 5.242 243 HA VAL 30 HA VAL 30 4.533 -14.131 3.356 244 HB VAL 30 HB VAL 30 3.538 -11.505 4.284 245 HG11 VAL 30 HG11 VAL 30 4.513 -12.541 1.653 246 HG12 VAL 30 HG12 VAL 30 5.460 -11.624 2.831 247 HG13 VAL 30 HG13 VAL 30 4.119 -10.855 1.974 248 HG21 VAL 30 HG21 VAL 30 1.821 -11.409 2.489 249 HG22 VAL 30 HG22 VAL 30 1.431 -12.557 3.769 250 HG23 VAL 30 HG23 VAL 30 2.052 -13.140 2.226 251 H SER 31 H SER 31 6.397 -14.322 4.380 252 HA SER 31 HA SER 31 6.708 -13.661 7.136 253 HB2 SER 31 HB2 SER 31 7.800 -15.626 6.026 254 HB3 SER 31 HB3 SER 31 8.798 -14.506 5.112 255 HG SER 31 HG SER 31 8.997 -13.903 7.724 256 H GLY 32 H GLY 32 7.205 -11.713 7.897 257 HA2 GLY 32 HA2 GLY 32 8.498 -9.799 8.150 258 HA3 GLY 32 HA3 GLY 32 9.196 -10.092 6.566 259 H ILE 33 H ILE 33 5.724 -9.951 7.239 260 HA ILE 33 HA ILE 33 5.652 -7.611 5.511 261 HB ILE 33 HB ILE 33 4.451 -9.760 4.769 262 HG12 ILE 33 HG12 ILE 33 2.707 -7.321 5.130 263 HG13 ILE 33 HG13 ILE 33 3.927 -7.466 3.899 264 HG21 ILE 33 HG21 ILE 33 2.567 -9.043 7.010 265 HG22 ILE 33 HG22 ILE 33 3.544 -10.506 6.882 266 HG23 ILE 33 HG23 ILE 33 2.240 -10.216 5.736 267 HD11 ILE 33 HD11 ILE 33 2.719 -9.467 2.998 268 HD12 ILE 33 HD12 ILE 33 1.779 -7.995 2.883 269 HD13 ILE 33 HD13 ILE 33 1.426 -9.170 4.151 270 H ASP 34 H ASP 34 4.554 -5.817 6.154 271 HA ASP 34 HA ASP 34 3.620 -5.714 8.930 272 HB2 ASP 34 HB2 ASP 34 4.955 -3.739 7.862 273 HB3 ASP 34 HB3 ASP 34 3.535 -3.491 6.871 274 H LYS 35 H LYS 35 1.774 -6.808 8.896 275 HA LYS 35 HA LYS 35 0.086 -7.160 6.721 276 HB2 LYS 35 HB2 LYS 35 0.322 -8.525 8.847 277 HB3 LYS 35 HB3 LYS 35 -0.812 -7.399 9.578 278 HG2 LYS 35 HG2 LYS 35 -2.400 -7.959 7.721 279 HG3 LYS 35 HG3 LYS 35 -1.296 -9.238 7.248 280 HD2 LYS 35 HD2 LYS 35 -2.682 -9.021 9.932 281 HD3 LYS 35 HD3 LYS 35 -3.060 -10.168 8.661 282 HE2 LYS 35 HE2 LYS 35 -0.902 -11.250 8.911 283 HE3 LYS 35 HE3 LYS 35 -0.382 -10.023 10.062 284 HZ1 LYS 35 HZ1 LYS 35 -2.572 -11.988 10.503 285 HZ2 LYS 35 HZ2 LYS 35 -2.094 -10.805 11.597 286 HZ3 LYS 35 HZ3 LYS 35 -1.037 -12.036 11.191 287 H ASN 36 H ASN 36 0.285 -4.475 8.862 288 HA ASN 36 HA ASN 36 -2.447 -3.593 8.639 289 HB2 ASN 36 HB2 ASN 36 -0.068 -2.074 9.698 290 HB3 ASN 36 HB3 ASN 36 -1.766 -1.797 10.037 291 HD21 ASN 36 HD21 ASN 36 1.021 -3.632 10.727 292 HD22 ASN 36 HD22 ASN 36 0.441 -4.461 12.128 293 H ALA 37 H ALA 37 0.548 -3.247 6.899 294 HA ALA 37 HA ALA 37 -0.071 -0.593 5.888 295 HB1 ALA 37 HB1 ALA 37 2.210 -2.443 5.229 296 HB2 ALA 37 HB2 ALA 37 2.229 -1.186 6.466 297 HB3 ALA 37 HB3 ALA 37 2.076 -0.744 4.769 298 H LEU 38 H LEU 38 -1.176 -3.508 5.211 299 HA LEU 38 HA LEU 38 -1.027 -3.484 2.342 300 HB2 LEU 38 HB2 LEU 38 -2.470 -5.266 4.265 301 HB3 LEU 38 HB3 LEU 38 -2.759 -5.349 2.545 302 HG LEU 38 HG LEU 38 -0.347 -5.897 2.233 303 HD11 LEU 38 HD11 LEU 38 0.561 -5.002 4.199 304 HD12 LEU 38 HD12 LEU 38 0.827 -6.759 4.142 305 HD13 LEU 38 HD13 LEU 38 -0.442 -6.073 5.172 306 HD21 LEU 38 HD21 LEU 38 -1.994 -7.610 2.185 307 HD22 LEU 38 HD22 LEU 38 -2.018 -7.674 3.944 308 HD23 LEU 38 HD23 LEU 38 -0.574 -8.185 3.065 309 H ASP 39 H ASP 39 -3.230 -2.299 4.743 310 HA ASP 39 HA ASP 39 -5.271 -2.004 2.725 311 HB2 ASP 39 HB2 ASP 39 -6.018 -2.651 4.921 312 HB3 ASP 39 HB3 ASP 39 -5.261 -1.230 5.642 313 H ILE 40 H ILE 40 -4.170 -0.832 1.399 314 HA ILE 40 HA ILE 40 -2.847 1.558 2.087 315 HB ILE 40 HB ILE 40 -3.415 0.443 -0.676 316 HG12 ILE 40 HG12 ILE 40 -0.927 0.241 0.979 317 HG13 ILE 40 HG13 ILE 40 -2.155 -0.996 1.056 318 HG21 ILE 40 HG21 ILE 40 -1.348 2.446 0.285 319 HG22 ILE 40 HG22 ILE 40 -2.784 2.835 -0.661 320 HG23 ILE 40 HG23 ILE 40 -1.512 1.831 -1.365 321 HD11 ILE 40 HD11 ILE 40 -0.394 -1.659 -0.433 322 HD12 ILE 40 HD12 ILE 40 -0.609 -0.185 -1.388 323 HD13 ILE 40 HD13 ILE 40 -1.883 -1.406 -1.325 324 H ASN 41 H ASN 41 -5.952 0.829 0.583 325 HA ASN 41 HA ASN 41 -6.375 3.630 -0.002 326 HB2 ASN 41 HB2 ASN 41 -8.508 3.021 -0.958 327 HB3 ASN 41 HB3 ASN 41 -7.362 1.781 -1.434 328 HD21 ASN 41 HD21 ASN 41 -10.264 1.696 -1.226 329 HD22 ASN 41 HD22 ASN 41 -10.604 0.377 -0.148 330 H GLY 42 H GLY 42 -6.584 1.721 2.710 331 HA2 GLY 42 HA2 GLY 42 -7.306 2.181 4.832 332 HA3 GLY 42 HA3 GLY 42 -7.689 3.805 4.282 333 H ASP 43 H ASP 43 -8.968 0.520 3.745 334 HA ASP 43 HA ASP 43 -11.642 1.639 4.309 335 HB2 ASP 43 HB2 ASP 43 -12.700 -0.186 2.963 336 HB3 ASP 43 HB3 ASP 43 -11.704 0.884 1.993 337 H GLY 44 H GLY 44 -9.276 -0.353 5.423 338 HA2 GLY 44 HA2 GLY 44 -9.427 -1.134 7.641 339 HA3 GLY 44 HA3 GLY 44 -11.132 -1.462 7.366 340 H ALA 45 H ALA 45 -9.965 -2.591 4.612 341 HA ALA 45 HA ALA 45 -9.133 -5.170 5.730 342 HB1 ALA 45 HB1 ALA 45 -10.611 -6.305 4.139 343 HB2 ALA 45 HB2 ALA 45 -11.240 -4.726 3.646 344 HB3 ALA 45 HB3 ALA 45 -11.490 -5.302 5.295 345 H VAL 46 H VAL 46 -8.165 -6.612 4.055 346 HA VAL 46 HA VAL 46 -6.559 -5.059 2.252 347 HB VAL 46 HB VAL 46 -6.288 -7.917 3.178 348 HG11 VAL 46 HG11 VAL 46 -4.486 -6.053 1.739 349 HG12 VAL 46 HG12 VAL 46 -5.301 -7.487 1.076 350 HG13 VAL 46 HG13 VAL 46 -4.026 -7.669 2.311 351 HG21 VAL 46 HG21 VAL 46 -4.828 -5.455 4.137 352 HG22 VAL 46 HG22 VAL 46 -4.476 -7.116 4.616 353 HG23 VAL 46 HG23 VAL 46 -6.015 -6.376 5.060 354 H ASN 47 H ASN 47 -7.417 -4.919 0.361 355 HA ASN 47 HA ASN 47 -8.569 -7.231 -0.941 356 HB2 ASN 47 HB2 ASN 47 -10.405 -5.600 -1.813 357 HB3 ASN 47 HB3 ASN 47 -10.586 -6.303 -0.207 358 HD21 ASN 47 HD21 ASN 47 -11.733 -4.774 0.741 359 HD22 ASN 47 HD22 ASN 47 -11.255 -3.136 0.964 360 H GLY 48 H GLY 48 -9.267 -6.330 -3.326 361 HA2 GLY 48 HA2 GLY 48 -6.744 -5.886 -4.529 362 HA3 GLY 48 HA3 GLY 48 -8.230 -5.980 -5.429 363 H ARG 49 H ARG 49 -9.150 -3.779 -3.439 364 HA ARG 49 HA ARG 49 -8.767 -1.446 -4.971 365 HB2 ARG 49 HB2 ARG 49 -9.278 -1.844 -2.036 366 HB3 ARG 49 HB3 ARG 49 -9.283 -0.272 -2.787 367 HG2 ARG 49 HG2 ARG 49 -11.074 -2.501 -3.636 368 HG3 ARG 49 HG3 ARG 49 -11.490 -1.357 -2.360 369 HD2 ARG 49 HD2 ARG 49 -11.100 0.494 -4.034 370 HD3 ARG 49 HD3 ARG 49 -10.913 -0.746 -5.272 371 HE ARG 49 HE ARG 49 -13.289 -1.356 -4.234 372 HH11 ARG 49 HH11 ARG 49 -11.986 1.738 -5.384 373 HH12 ARG 49 HH12 ARG 49 -13.484 2.389 -5.828 374 HH21 ARG 49 HH21 ARG 49 -15.391 -0.450 -4.855 375 HH22 ARG 49 HH22 ARG 49 -15.473 1.101 -5.524 376 H ASP 50 H ASP 50 -7.078 -2.804 -2.223 377 HA ASP 50 HA ASP 50 -5.248 -0.691 -1.797 378 HB2 ASP 50 HB2 ASP 50 -4.970 -3.591 -1.012 379 HB3 ASP 50 HB3 ASP 50 -4.120 -2.198 -0.346 380 H LEU 51 H LEU 51 -5.190 -3.702 -3.512 381 HA LEU 51 HA LEU 51 -2.503 -3.670 -4.339 382 HB2 LEU 51 HB2 LEU 51 -3.804 -5.687 -4.580 383 HB3 LEU 51 HB3 LEU 51 -4.951 -4.878 -5.610 384 HG LEU 51 HG LEU 51 -3.338 -4.803 -7.440 385 HD11 LEU 51 HD11 LEU 51 -1.439 -6.329 -5.660 386 HD12 LEU 51 HD12 LEU 51 -1.262 -4.615 -6.041 387 HD13 LEU 51 HD13 LEU 51 -1.156 -5.821 -7.322 388 HD21 LEU 51 HD21 LEU 51 -4.741 -6.763 -7.214 389 HD22 LEU 51 HD22 LEU 51 -3.534 -7.498 -6.155 390 HD23 LEU 51 HD23 LEU 51 -3.151 -7.211 -7.848 391 H MET 52 H MET 52 -5.401 -2.354 -5.808 392 HA MET 52 HA MET 52 -4.175 -1.305 -8.134 393 HB2 MET 52 HB2 MET 52 -6.710 -0.479 -6.714 394 HB3 MET 52 HB3 MET 52 -6.223 0.116 -8.296 395 HG2 MET 52 HG2 MET 52 -6.361 -2.115 -9.212 396 HG3 MET 52 HG3 MET 52 -6.728 -2.765 -7.617 397 HE1 MET 52 HE1 MET 52 -10.095 -3.244 -9.529 398 HE2 MET 52 HE2 MET 52 -8.841 -4.024 -8.567 399 HE3 MET 52 HE3 MET 52 -8.461 -3.407 -10.175 400 H GLU 53 H GLU 53 -4.766 0.052 -4.931 401 HA GLU 53 HA GLU 53 -3.757 2.639 -5.442 402 HB2 GLU 53 HB2 GLU 53 -3.911 1.035 -2.914 403 HB3 GLU 53 HB3 GLU 53 -3.301 2.677 -2.954 404 HG2 GLU 53 HG2 GLU 53 -6.082 1.757 -3.647 405 HG3 GLU 53 HG3 GLU 53 -5.586 2.654 -2.210 406 H LEU 54 H LEU 54 -2.260 -0.338 -4.337 407 HA LEU 54 HA LEU 54 0.282 0.648 -3.805 408 HB2 LEU 54 HB2 LEU 54 -0.614 -1.607 -3.228 409 HB3 LEU 54 HB3 LEU 54 -0.412 -2.056 -4.898 410 HG LEU 54 HG LEU 54 1.994 -1.809 -4.750 411 HD11 LEU 54 HD11 LEU 54 1.463 -1.053 -1.882 412 HD12 LEU 54 HD12 LEU 54 2.114 0.006 -3.134 413 HD13 LEU 54 HD13 LEU 54 3.051 -1.378 -2.574 414 HD21 LEU 54 HD21 LEU 54 0.983 -3.935 -4.173 415 HD22 LEU 54 HD22 LEU 54 0.832 -3.417 -2.496 416 HD23 LEU 54 HD23 LEU 54 2.428 -3.639 -3.209 417 H ILE 55 H ILE 55 -1.061 -0.755 -6.691 418 HA ILE 55 HA ILE 55 1.123 -0.491 -8.426 419 HB ILE 55 HB ILE 55 -1.831 -0.258 -9.091 420 HG12 ILE 55 HG12 ILE 55 0.001 -2.673 -9.307 421 HG13 ILE 55 HG13 ILE 55 -1.107 -2.382 -7.979 422 HG21 ILE 55 HG21 ILE 55 -1.170 -0.871 -11.395 423 HG22 ILE 55 HG22 ILE 55 0.523 -0.812 -10.889 424 HG23 ILE 55 HG23 ILE 55 -0.446 0.660 -10.882 425 HD11 ILE 55 HD11 ILE 55 -2.007 -3.993 -9.570 426 HD12 ILE 55 HD12 ILE 55 -1.911 -2.794 -10.861 427 HD13 ILE 55 HD13 ILE 55 -3.005 -2.549 -9.498 428 H LYS 56 H LYS 56 -1.462 1.823 -7.709 429 HA LYS 56 HA LYS 56 -0.709 4.023 -9.240 430 HB2 LYS 56 HB2 LYS 56 -2.754 4.080 -8.038 431 HB3 LYS 56 HB3 LYS 56 -1.943 3.764 -6.512 432 HG2 LYS 56 HG2 LYS 56 -0.897 6.007 -6.661 433 HG3 LYS 56 HG3 LYS 56 -1.893 6.337 -8.095 434 HD2 LYS 56 HD2 LYS 56 -2.897 5.663 -5.321 435 HD3 LYS 56 HD3 LYS 56 -2.828 7.283 -6.015 436 HE2 LYS 56 HE2 LYS 56 -4.426 6.584 -7.752 437 HE3 LYS 56 HE3 LYS 56 -4.468 4.970 -7.053 438 HZ1 LYS 56 HZ1 LYS 56 -6.347 6.357 -6.326 439 HZ2 LYS 56 HZ2 LYS 56 -5.260 7.422 -5.586 440 HZ3 LYS 56 HZ3 LYS 56 -5.371 5.829 -5.054 441 H LYS 57 H LYS 57 0.309 3.183 -5.953 442 HA LYS 57 HA LYS 57 2.033 5.384 -5.444 443 HB2 LYS 57 HB2 LYS 57 2.247 2.614 -4.278 444 HB3 LYS 57 HB3 LYS 57 2.869 4.100 -3.581 445 HG2 LYS 57 HG2 LYS 57 -0.015 3.259 -3.840 446 HG3 LYS 57 HG3 LYS 57 0.979 3.346 -2.382 447 HD2 LYS 57 HD2 LYS 57 0.316 5.742 -4.083 448 HD3 LYS 57 HD3 LYS 57 -0.667 5.218 -2.727 449 HE2 LYS 57 HE2 LYS 57 1.214 5.442 -1.208 450 HE3 LYS 57 HE3 LYS 57 2.257 5.935 -2.536 451 HZ1 LYS 57 HZ1 LYS 57 1.354 7.826 -1.211 452 HZ2 LYS 57 HZ2 LYS 57 -0.193 7.437 -1.799 453 HZ3 LYS 57 HZ3 LYS 57 1.035 7.882 -2.853 454 H VAL 58 H VAL 58 2.787 2.035 -6.315 455 HA VAL 58 HA VAL 58 5.539 2.520 -6.407 456 HB VAL 58 HB VAL 58 3.892 0.224 -7.417 457 HG11 VAL 58 HG11 VAL 58 6.867 0.439 -6.838 458 HG12 VAL 58 HG12 VAL 58 6.149 0.231 -8.437 459 HG13 VAL 58 HG13 VAL 58 6.037 -1.063 -7.239 460 HG21 VAL 58 HG21 VAL 58 4.556 -0.833 -5.282 461 HG22 VAL 58 HG22 VAL 58 3.624 0.646 -5.047 462 HG23 VAL 58 HG23 VAL 58 5.374 0.659 -4.833 463 H SER 59 H SER 59 3.058 2.521 -8.898 464 HA SER 59 HA SER 59 4.903 2.548 -11.059 465 HB2 SER 59 HB2 SER 59 2.414 2.078 -11.276 466 HB3 SER 59 HB3 SER 59 2.140 3.805 -11.071 467 HG SER 59 HG SER 59 3.385 2.424 -13.165 468 H ASN 60 H ASN 60 3.527 5.064 -9.025 469 HA ASN 60 HA ASN 60 4.439 7.319 -10.446 470 HB2 ASN 60 HB2 ASN 60 2.621 7.477 -8.853 471 HB3 ASN 60 HB3 ASN 60 3.645 6.873 -7.561 472 HD21 ASN 60 HD21 ASN 60 5.038 8.254 -6.548 473 HD22 ASN 60 HD22 ASN 60 5.036 9.949 -6.824 474 H ASN 61 H ASN 61 5.736 5.438 -7.760 475 HA ASN 61 HA ASN 61 8.101 7.032 -7.438 476 HB2 ASN 61 HB2 ASN 61 7.184 5.801 -5.545 477 HB3 ASN 61 HB3 ASN 61 7.380 4.275 -6.378 478 HD21 ASN 61 HD21 ASN 61 9.451 3.308 -6.392 479 HD22 ASN 61 HD22 ASN 61 10.762 3.923 -5.462 480 H THR 62 H THR 62 7.262 4.106 -9.134 481 HA THR 62 HA THR 62 8.096 3.010 -10.831 482 HB THR 62 HB THR 62 10.337 5.062 -10.961 483 HG1 THR 62 HG1 THR 62 7.818 5.384 -11.322 484 HG21 THR 62 HG21 THR 62 10.833 2.950 -12.177 485 HG22 THR 62 HG22 THR 62 10.588 4.294 -13.290 486 HG23 THR 62 HG23 THR 62 9.306 3.106 -13.048 487 H SER 63 H SER 63 8.541 1.101 -10.064 488 HA SER 63 HA SER 63 11.238 0.494 -9.312 489 HB2 SER 63 HB2 SER 63 10.001 1.036 -7.171 490 HB3 SER 63 HB3 SER 63 8.875 -0.261 -7.561 491 HG SER 63 HG SER 63 11.652 -0.475 -7.122 Start of MODEL 13 1 H1 GLY -3 H1 GLY -3 -2.250 0.697 12.709 2 H2 GLY -3 H2 GLY -3 -3.296 0.205 13.940 3 H3 GLY -3 H3 GLY -3 -1.612 0.109 14.151 4 HA2 GLY -3 HA3 GLY -3 -3.148 2.598 13.809 5 HA3 GLY -3 HA2 GLY -3 -2.510 1.986 15.333 6 H SER -2 H SER -2 -1.462 4.220 15.170 7 HA SER -2 HA SER -2 0.800 4.302 13.363 8 HB2 SER -2 HB2 SER -2 1.021 6.627 14.330 9 HB3 SER -2 HB3 SER -2 -0.485 6.320 13.461 10 HG SER -2 HG SER -2 -1.549 6.612 15.218 11 H ALA -1 H ALA -1 0.082 3.153 16.382 12 HA ALA -1 HA ALA -1 2.373 3.823 17.879 13 HB1 ALA -1 HB1 ALA -1 1.753 1.958 19.315 14 HB2 ALA -1 HB2 ALA -1 0.650 1.358 18.079 15 HB3 ALA -1 HB3 ALA -1 0.323 2.894 18.875 16 H SER 0 H SER 0 1.778 1.487 15.424 17 HA SER 0 HA SER 0 4.421 0.299 15.802 18 HB2 SER 0 HB2 SER 0 2.366 -1.154 15.615 19 HB3 SER 0 HB3 SER 0 2.146 -0.532 13.981 20 HG SER 0 HG SER 0 4.447 -1.873 14.924 21 H ASN 1 H ASN 1 5.535 -0.054 13.554 22 HA ASN 1 HA ASN 1 5.355 2.476 12.159 23 HB2 ASN 1 HB2 ASN 1 7.616 1.729 12.808 24 HB3 ASN 1 HB3 ASN 1 7.418 0.299 11.797 25 HD21 ASN 1 HD21 ASN 1 8.739 0.624 10.182 26 HD22 ASN 1 HD22 ASN 1 8.814 2.007 9.151 27 H THR 2 H THR 2 3.441 1.875 11.445 28 HA THR 2 HA THR 2 3.345 0.082 9.146 29 HB THR 2 HB THR 2 1.110 1.493 10.626 30 HG1 THR 2 HG1 THR 2 1.806 -1.248 10.385 31 HG21 THR 2 HG21 THR 2 0.978 -0.520 8.387 32 HG22 THR 2 HG22 THR 2 0.664 1.193 8.200 33 HG23 THR 2 HG23 THR 2 -0.412 0.206 9.206 34 H ILE 3 H ILE 3 3.687 0.899 7.259 35 HA ILE 3 HA ILE 3 2.914 3.647 6.659 36 HB ILE 3 HB ILE 3 5.243 3.767 6.760 37 HG12 ILE 3 HG12 ILE 3 4.653 3.204 3.829 38 HG13 ILE 3 HG13 ILE 3 4.455 4.746 4.646 39 HG21 ILE 3 HG21 ILE 3 5.364 1.052 5.529 40 HG22 ILE 3 HG22 ILE 3 5.943 1.579 7.105 41 HG23 ILE 3 HG23 ILE 3 6.780 2.095 5.639 42 HD11 ILE 3 HD11 ILE 3 6.888 4.865 4.982 43 HD12 ILE 3 HD12 ILE 3 6.467 4.735 3.277 44 HD13 ILE 3 HD13 ILE 3 7.077 3.327 4.143 45 H LEU 4 H LEU 4 1.231 3.571 5.327 46 HA LEU 4 HA LEU 4 0.350 1.250 4.051 47 HB2 LEU 4 HB2 LEU 4 -0.424 4.103 3.473 48 HB3 LEU 4 HB3 LEU 4 -1.303 2.664 3.008 49 HG LEU 4 HG LEU 4 -0.936 3.767 5.775 50 HD11 LEU 4 HD11 LEU 4 -2.633 4.886 4.470 51 HD12 LEU 4 HD12 LEU 4 -3.363 3.935 5.760 52 HD13 LEU 4 HD13 LEU 4 -3.390 3.337 4.099 53 HD21 LEU 4 HD21 LEU 4 -2.312 1.882 6.544 54 HD22 LEU 4 HD22 LEU 4 -0.740 1.393 5.921 55 HD23 LEU 4 HD23 LEU 4 -2.189 1.154 4.937 56 H GLY 5 H GLY 5 1.212 0.310 2.412 57 HA2 GLY 5 HA2 GLY 5 1.526 0.445 0.006 58 HA3 GLY 5 HA3 GLY 5 2.352 1.975 0.291 59 H ASP 6 H ASP 6 3.598 0.684 2.789 60 HA ASP 6 HA ASP 6 5.567 -0.843 1.300 61 HB2 ASP 6 HB2 ASP 6 6.540 1.249 1.944 62 HB3 ASP 6 HB3 ASP 6 5.999 1.069 3.601 63 H LEU 7 H LEU 7 4.844 -2.664 1.567 64 HA LEU 7 HA LEU 7 3.629 -3.711 3.942 65 HB2 LEU 7 HB2 LEU 7 4.203 -4.802 1.217 66 HB3 LEU 7 HB3 LEU 7 3.557 -5.807 2.486 67 HG LEU 7 HG LEU 7 1.505 -4.417 2.534 68 HD11 LEU 7 HD11 LEU 7 2.665 -2.963 0.171 69 HD12 LEU 7 HD12 LEU 7 2.436 -2.278 1.778 70 HD13 LEU 7 HD13 LEU 7 1.039 -2.789 0.832 71 HD21 LEU 7 HD21 LEU 7 0.656 -5.083 0.373 72 HD22 LEU 7 HD22 LEU 7 1.595 -6.362 1.150 73 HD23 LEU 7 HD23 LEU 7 2.295 -5.418 -0.165 74 H ASN 8 H ASN 8 6.658 -4.089 2.232 75 HA ASN 8 HA ASN 8 7.467 -6.276 3.998 76 HB2 ASN 8 HB2 ASN 8 9.415 -6.549 2.579 77 HB3 ASN 8 HB3 ASN 8 7.972 -6.511 1.586 78 HD21 ASN 8 HD21 ASN 8 10.571 -6.083 0.673 79 HD22 ASN 8 HD22 ASN 8 10.722 -4.439 0.162 80 H ASP 9 H ASP 9 7.549 -3.014 4.115 81 HA ASP 9 HA ASP 9 8.502 -1.522 5.372 82 HB2 ASP 9 HB2 ASP 9 7.954 -2.815 7.325 83 HB3 ASP 9 HB3 ASP 9 9.328 -3.877 7.063 84 H ASP 10 H ASP 10 9.672 -1.328 3.416 85 HA ASP 10 HA ASP 10 12.507 -1.367 4.080 86 HB2 ASP 10 HB2 ASP 10 13.170 -1.733 1.716 87 HB3 ASP 10 HB3 ASP 10 12.098 -2.997 2.318 88 H GLY 11 H GLY 11 9.918 0.494 3.740 89 HA2 GLY 11 HA2 GLY 11 9.971 2.748 4.229 90 HA3 GLY 11 HA3 GLY 11 11.623 2.832 3.637 91 H VAL 12 H VAL 12 9.832 1.231 1.352 92 HA VAL 12 HA VAL 12 8.883 3.674 0.098 93 HB VAL 12 HB VAL 12 11.231 3.729 -0.445 94 HG11 VAL 12 HG11 VAL 12 11.791 1.463 -0.081 95 HG12 VAL 12 HG12 VAL 12 12.382 1.949 -1.678 96 HG13 VAL 12 HG13 VAL 12 10.938 0.937 -1.530 97 HG21 VAL 12 HG21 VAL 12 9.777 4.494 -2.245 98 HG22 VAL 12 HG22 VAL 12 9.630 2.850 -2.860 99 HG23 VAL 12 HG23 VAL 12 11.185 3.681 -2.932 100 H VAL 13 H VAL 13 7.294 3.364 -1.404 101 HA VAL 13 HA VAL 13 6.169 0.822 -1.771 102 HB VAL 13 HB VAL 13 4.762 2.070 -3.517 103 HG11 VAL 13 HG11 VAL 13 3.977 1.761 -1.271 104 HG12 VAL 13 HG12 VAL 13 3.583 3.414 -1.756 105 HG13 VAL 13 HG13 VAL 13 4.953 3.096 -0.696 106 HG21 VAL 13 HG21 VAL 13 6.402 3.838 -4.063 107 HG22 VAL 13 HG22 VAL 13 6.247 4.498 -2.434 108 HG23 VAL 13 HG23 VAL 13 4.874 4.523 -3.531 109 H ASN 14 H ASN 14 7.416 -0.620 -2.728 110 HA ASN 14 HA ASN 14 8.445 0.002 -5.378 111 HB2 ASN 14 HB2 ASN 14 10.466 -1.330 -4.951 112 HB3 ASN 14 HB3 ASN 14 10.392 0.051 -3.890 113 HD21 ASN 14 HD21 ASN 14 12.040 -2.028 -3.485 114 HD22 ASN 14 HD22 ASN 14 11.544 -2.757 -1.992 115 H GLY 15 H GLY 15 9.258 -2.198 -6.355 116 HA2 GLY 15 HA2 GLY 15 6.907 -3.626 -6.992 117 HA3 GLY 15 HA3 GLY 15 8.483 -4.142 -7.439 118 H ARG 16 H ARG 16 9.200 -4.148 -4.500 119 HA ARG 16 HA ARG 16 8.810 -6.890 -3.942 120 HB2 ARG 16 HB2 ARG 16 9.538 -4.597 -2.177 121 HB3 ARG 16 HB3 ARG 16 9.570 -6.267 -1.644 122 HG2 ARG 16 HG2 ARG 16 11.149 -5.198 -3.943 123 HG3 ARG 16 HG3 ARG 16 11.782 -5.308 -2.296 124 HD2 ARG 16 HD2 ARG 16 11.284 -7.763 -2.354 125 HD3 ARG 16 HD3 ARG 16 10.834 -7.580 -4.045 126 HE ARG 16 HE ARG 16 13.163 -6.661 -4.287 127 HH11 ARG 16 HH11 ARG 16 12.453 -9.038 -1.756 128 HH12 ARG 16 HH12 ARG 16 13.894 -9.919 -1.964 129 HH21 ARG 16 HH21 ARG 16 15.185 -7.893 -4.560 130 HH22 ARG 16 HH22 ARG 16 15.470 -9.258 -3.581 131 H ASP 17 H ASP 17 7.049 -3.984 -3.037 132 HA ASP 17 HA ASP 17 5.497 -5.164 -0.999 133 HB2 ASP 17 HB2 ASP 17 4.939 -2.754 -2.696 134 HB3 ASP 17 HB3 ASP 17 4.076 -3.194 -1.232 135 H ILE 18 H ILE 18 5.053 -4.599 -4.429 136 HA ILE 18 HA ILE 18 2.501 -5.500 -4.839 137 HB ILE 18 HB ILE 18 4.986 -5.793 -6.547 138 HG12 ILE 18 HG12 ILE 18 3.952 -4.167 -8.004 139 HG13 ILE 18 HG13 ILE 18 2.503 -4.146 -6.962 140 HG21 ILE 18 HG21 ILE 18 3.602 -6.467 -8.461 141 HG22 ILE 18 HG22 ILE 18 2.218 -6.629 -7.379 142 HG23 ILE 18 HG23 ILE 18 3.627 -7.669 -7.169 143 HD11 ILE 18 HD11 ILE 18 3.914 -2.210 -6.766 144 HD12 ILE 18 HD12 ILE 18 5.244 -3.238 -6.184 145 HD13 ILE 18 HD13 ILE 18 3.760 -3.099 -5.258 146 H VAL 19 H VAL 19 5.419 -7.380 -4.540 147 HA VAL 19 HA VAL 19 4.393 -9.984 -4.997 148 HB VAL 19 HB VAL 19 6.616 -9.363 -3.057 149 HG11 VAL 19 HG11 VAL 19 7.546 -11.510 -3.793 150 HG12 VAL 19 HG12 VAL 19 6.153 -11.741 -4.846 151 HG13 VAL 19 HG13 VAL 19 5.935 -11.684 -3.098 152 HG21 VAL 19 HG21 VAL 19 7.104 -8.082 -5.017 153 HG22 VAL 19 HG22 VAL 19 6.816 -9.474 -6.065 154 HG23 VAL 19 HG23 VAL 19 8.199 -9.462 -4.951 155 H MET 20 H MET 20 5.006 -8.226 -2.005 156 HA MET 20 HA MET 20 4.113 -10.132 -0.136 157 HB2 MET 20 HB2 MET 20 3.853 -7.142 0.191 158 HB3 MET 20 HB3 MET 20 4.013 -8.405 1.408 159 HG2 MET 20 HG2 MET 20 6.169 -7.799 -0.579 160 HG3 MET 20 HG3 MET 20 6.059 -6.968 0.954 161 HE1 MET 20 HE1 MET 20 5.227 -9.093 3.046 162 HE2 MET 20 HE2 MET 20 6.612 -8.035 3.267 163 HE3 MET 20 HE3 MET 20 6.777 -9.771 3.533 164 H MET 21 H MET 21 2.475 -7.483 -1.726 165 HA MET 21 HA MET 21 -0.079 -7.462 -0.650 166 HB2 MET 21 HB2 MET 21 0.973 -5.890 -2.330 167 HB3 MET 21 HB3 MET 21 0.730 -7.153 -3.520 168 HG2 MET 21 HG2 MET 21 -0.955 -5.683 -3.962 169 HG3 MET 21 HG3 MET 21 -1.813 -6.860 -2.992 170 HE1 MET 21 HE1 MET 21 -1.139 -5.973 0.058 171 HE2 MET 21 HE2 MET 21 -2.795 -6.222 -0.512 172 HE3 MET 21 HE3 MET 21 -2.343 -4.719 0.301 173 H ARG 22 H ARG 22 1.095 -9.059 -3.545 174 HA ARG 22 HA ARG 22 -1.222 -10.481 -4.175 175 HB2 ARG 22 HB2 ARG 22 1.622 -10.645 -5.002 176 HB3 ARG 22 HB3 ARG 22 0.453 -11.829 -5.611 177 HG2 ARG 22 HG2 ARG 22 -0.807 -10.061 -6.651 178 HG3 ARG 22 HG3 ARG 22 0.219 -8.836 -5.899 179 HD2 ARG 22 HD2 ARG 22 2.105 -9.528 -7.172 180 HD3 ARG 22 HD3 ARG 22 1.278 -10.942 -7.800 181 HE ARG 22 HE ARG 22 -0.217 -8.756 -8.567 182 HH11 ARG 22 HH11 ARG 22 3.098 -9.819 -9.133 183 HH12 ARG 22 HH12 ARG 22 3.193 -9.152 -10.702 184 HH21 ARG 22 HH21 ARG 22 -0.078 -7.839 -10.723 185 HH22 ARG 22 HH22 ARG 22 1.325 -8.041 -11.649 186 H GLN 23 H GLN 23 1.574 -11.400 -2.164 187 HA GLN 23 HA GLN 23 1.073 -14.129 -1.919 188 HB2 GLN 23 HB2 GLN 23 2.035 -12.213 0.162 189 HB3 GLN 23 HB3 GLN 23 2.182 -13.954 0.239 190 HG2 GLN 23 HG2 GLN 23 3.557 -12.123 -1.697 191 HG3 GLN 23 HG3 GLN 23 4.257 -12.828 -0.275 192 HE21 GLN 23 HE21 GLN 23 5.831 -14.040 -1.251 193 HE22 GLN 23 HE22 GLN 23 5.456 -15.396 -2.260 194 H TYR 24 H TYR 24 0.149 -11.457 0.252 195 HA TYR 24 HA TYR 24 -1.313 -13.064 2.012 196 HB2 TYR 24 HB2 TYR 24 -0.245 -10.814 2.386 197 HB3 TYR 24 HB3 TYR 24 -1.623 -10.114 1.575 198 HD1 TYR 24 HD1 TYR 24 -0.466 -11.710 4.627 199 HD2 TYR 24 HD2 TYR 24 -3.832 -10.192 2.552 200 HE1 TYR 24 HE1 TYR 24 -1.735 -11.702 6.720 201 HE2 TYR 24 HE2 TYR 24 -5.115 -10.164 4.558 202 HH TYR 24 HH TYR 24 -5.086 -11.320 6.785 203 H LEU 25 H LEU 25 -2.265 -10.941 -0.540 204 HA LEU 25 HA LEU 25 -5.059 -11.196 -0.512 205 HB2 LEU 25 HB2 LEU 25 -3.291 -10.901 -2.937 206 HB3 LEU 25 HB3 LEU 25 -5.033 -10.793 -2.971 207 HG LEU 25 HG LEU 25 -3.190 -8.922 -1.502 208 HD11 LEU 25 HD11 LEU 25 -3.011 -8.677 -3.908 209 HD12 LEU 25 HD12 LEU 25 -3.896 -7.309 -3.225 210 HD13 LEU 25 HD13 LEU 25 -4.766 -8.598 -4.049 211 HD21 LEU 25 HD21 LEU 25 -5.169 -7.534 -1.199 212 HD22 LEU 25 HD22 LEU 25 -5.391 -9.103 -0.418 213 HD23 LEU 25 HD23 LEU 25 -6.165 -8.760 -1.969 214 H ALA 26 H ALA 26 -2.695 -13.404 -1.850 215 HA ALA 26 HA ALA 26 -4.640 -15.107 -3.119 216 HB1 ALA 26 HB1 ALA 26 -1.764 -15.677 -2.430 217 HB2 ALA 26 HB2 ALA 26 -2.345 -14.988 -3.950 218 HB3 ALA 26 HB3 ALA 26 -2.780 -16.640 -3.505 219 H GLY 27 H GLY 27 -3.610 -14.690 0.066 220 HA2 GLY 27 HA2 GLY 27 -4.856 -15.745 1.776 221 HA3 GLY 27 HA3 GLY 27 -4.921 -17.167 0.744 222 H LYS 28 H LYS 28 -1.824 -15.782 0.699 223 HA LYS 28 HA LYS 28 -0.847 -17.978 2.328 224 HB2 LYS 28 HB2 LYS 28 0.921 -15.905 0.970 225 HB3 LYS 28 HB3 LYS 28 1.298 -17.513 1.491 226 HG2 LYS 28 HG2 LYS 28 -0.106 -18.465 -0.260 227 HG3 LYS 28 HG3 LYS 28 -0.488 -16.823 -0.798 228 HD2 LYS 28 HD2 LYS 28 1.867 -16.390 -1.243 229 HD3 LYS 28 HD3 LYS 28 2.282 -18.005 -0.678 230 HE2 LYS 28 HE2 LYS 28 0.531 -17.381 -3.059 231 HE3 LYS 28 HE3 LYS 28 2.226 -17.852 -3.133 232 HZ1 LYS 28 HZ1 LYS 28 1.645 -19.974 -2.136 233 HZ2 LYS 28 HZ2 LYS 28 0.715 -19.719 -3.530 234 HZ3 LYS 28 HZ3 LYS 28 0.038 -19.504 -2.018 235 H THR 29 H THR 29 0.470 -17.641 4.102 236 HA THR 29 HA THR 29 0.064 -15.091 5.448 237 HB THR 29 HB THR 29 1.445 -17.561 6.561 238 HG1 THR 29 HG1 THR 29 -1.218 -17.062 6.102 239 HG21 THR 29 HG21 THR 29 0.102 -15.220 7.922 240 HG22 THR 29 HG22 THR 29 1.834 -15.394 7.689 241 HG23 THR 29 HG23 THR 29 0.973 -16.533 8.722 242 H VAL 30 H VAL 30 1.549 -13.635 4.998 243 HA VAL 30 HA VAL 30 4.110 -14.459 3.912 244 HB VAL 30 HB VAL 30 3.412 -11.623 4.423 245 HG11 VAL 30 HG11 VAL 30 4.790 -13.011 2.143 246 HG12 VAL 30 HG12 VAL 30 5.558 -12.119 3.456 247 HG13 VAL 30 HG13 VAL 30 4.561 -11.271 2.273 248 HG21 VAL 30 HG21 VAL 30 2.145 -11.479 2.295 249 HG22 VAL 30 HG22 VAL 30 1.329 -12.412 3.545 250 HG23 VAL 30 HG23 VAL 30 2.146 -13.244 2.227 251 H SER 31 H SER 31 5.811 -14.652 5.234 252 HA SER 31 HA SER 31 5.666 -13.717 7.908 253 HB2 SER 31 HB2 SER 31 6.809 -15.841 7.357 254 HB3 SER 31 HB3 SER 31 7.994 -14.953 6.404 255 HG SER 31 HG SER 31 8.961 -14.318 8.142 256 H GLY 32 H GLY 32 6.315 -11.831 8.679 257 HA2 GLY 32 HA2 GLY 32 7.656 -9.964 8.918 258 HA3 GLY 32 HA3 GLY 32 8.528 -10.446 7.471 259 H ILE 33 H ILE 33 5.032 -10.034 7.640 260 HA ILE 33 HA ILE 33 5.388 -7.780 5.839 261 HB ILE 33 HB ILE 33 4.156 -9.832 4.983 262 HG12 ILE 33 HG12 ILE 33 2.526 -7.302 5.055 263 HG13 ILE 33 HG13 ILE 33 3.929 -7.529 4.041 264 HG21 ILE 33 HG21 ILE 33 1.788 -10.148 5.647 265 HG22 ILE 33 HG22 ILE 33 1.943 -8.899 6.859 266 HG23 ILE 33 HG23 ILE 33 2.859 -10.399 7.028 267 HD11 ILE 33 HD11 ILE 33 1.924 -7.946 2.723 268 HD12 ILE 33 HD12 ILE 33 1.375 -9.128 3.910 269 HD13 ILE 33 HD13 ILE 33 2.808 -9.457 2.951 270 H ASP 34 H ASP 34 4.338 -5.868 6.309 271 HA ASP 34 HA ASP 34 3.256 -5.755 9.013 272 HB2 ASP 34 HB2 ASP 34 4.764 -3.831 8.005 273 HB3 ASP 34 HB3 ASP 34 3.313 -3.415 7.121 274 H LYS 35 H LYS 35 1.365 -6.660 9.010 275 HA LYS 35 HA LYS 35 -0.330 -7.066 6.876 276 HB2 LYS 35 HB2 LYS 35 -0.380 -8.228 9.081 277 HB3 LYS 35 HB3 LYS 35 -1.229 -6.828 9.730 278 HG2 LYS 35 HG2 LYS 35 -2.827 -7.277 7.681 279 HG3 LYS 35 HG3 LYS 35 -2.137 -8.865 7.787 280 HD2 LYS 35 HD2 LYS 35 -3.374 -7.529 10.185 281 HD3 LYS 35 HD3 LYS 35 -4.243 -8.633 9.121 282 HE2 LYS 35 HE2 LYS 35 -1.734 -9.306 10.654 283 HE3 LYS 35 HE3 LYS 35 -3.365 -9.747 11.150 284 HZ1 LYS 35 HZ1 LYS 35 -2.439 -11.602 10.040 285 HZ2 LYS 35 HZ2 LYS 35 -1.863 -10.685 8.786 286 HZ3 LYS 35 HZ3 LYS 35 -3.529 -10.928 8.940 287 H ASN 36 H ASN 36 -0.122 -4.305 8.999 288 HA ASN 36 HA ASN 36 -2.705 -3.303 8.351 289 HB2 ASN 36 HB2 ASN 36 -0.414 -2.084 9.889 290 HB3 ASN 36 HB3 ASN 36 -2.009 -1.370 9.711 291 HD21 ASN 36 HD21 ASN 36 -0.085 -3.730 11.356 292 HD22 ASN 36 HD22 ASN 36 -1.330 -4.258 12.429 293 H ALA 37 H ALA 37 0.415 -3.195 6.909 294 HA ALA 37 HA ALA 37 0.080 -0.546 5.792 295 HB1 ALA 37 HB1 ALA 37 2.254 -0.925 4.778 296 HB2 ALA 37 HB2 ALA 37 2.222 -2.608 5.301 297 HB3 ALA 37 HB3 ALA 37 2.299 -1.311 6.495 298 H LEU 38 H LEU 38 -1.002 -3.574 5.118 299 HA LEU 38 HA LEU 38 -0.883 -3.542 2.257 300 HB2 LEU 38 HB2 LEU 38 -2.424 -5.244 4.185 301 HB3 LEU 38 HB3 LEU 38 -2.686 -5.332 2.464 302 HG LEU 38 HG LEU 38 -0.289 -5.974 2.207 303 HD11 LEU 38 HD11 LEU 38 -0.463 -6.203 5.148 304 HD12 LEU 38 HD12 LEU 38 0.591 -5.118 4.224 305 HD13 LEU 38 HD13 LEU 38 0.788 -6.883 4.112 306 HD21 LEU 38 HD21 LEU 38 -0.633 -8.239 2.983 307 HD22 LEU 38 HD22 LEU 38 -2.040 -7.585 2.136 308 HD23 LEU 38 HD23 LEU 38 -2.038 -7.693 3.898 309 H ASP 39 H ASP 39 -3.022 -2.312 4.649 310 HA ASP 39 HA ASP 39 -5.122 -2.002 2.685 311 HB2 ASP 39 HB2 ASP 39 -5.787 -2.745 4.885 312 HB3 ASP 39 HB3 ASP 39 -5.022 -1.331 5.607 313 H ILE 40 H ILE 40 -3.966 -0.805 1.422 314 HA ILE 40 HA ILE 40 -2.677 1.609 2.132 315 HB ILE 40 HB ILE 40 -3.261 0.490 -0.625 316 HG12 ILE 40 HG12 ILE 40 -0.811 0.177 1.088 317 HG13 ILE 40 HG13 ILE 40 -2.099 -1.012 1.052 318 HG21 ILE 40 HG21 ILE 40 -1.151 2.431 0.353 319 HG22 ILE 40 HG22 ILE 40 -2.590 2.849 -0.579 320 HG23 ILE 40 HG23 ILE 40 -1.338 1.839 -1.306 321 HD11 ILE 40 HD11 ILE 40 -1.726 -1.369 -1.307 322 HD12 ILE 40 HD12 ILE 40 -0.273 -1.681 -0.372 323 HD13 ILE 40 HD13 ILE 40 -0.427 -0.177 -1.299 324 H ASN 41 H ASN 41 -5.780 0.797 0.696 325 HA ASN 41 HA ASN 41 -6.289 3.589 0.107 326 HB2 ASN 41 HB2 ASN 41 -8.373 2.943 -0.877 327 HB3 ASN 41 HB3 ASN 41 -7.246 1.672 -1.310 328 HD21 ASN 41 HD21 ASN 41 -10.056 1.602 -1.256 329 HD22 ASN 41 HD22 ASN 41 -10.533 0.365 -0.139 330 H GLY 42 H GLY 42 -6.395 1.688 2.796 331 HA2 GLY 42 HA2 GLY 42 -7.061 2.076 4.940 332 HA3 GLY 42 HA3 GLY 42 -7.446 3.719 4.444 333 H ASP 43 H ASP 43 -8.783 0.450 3.886 334 HA ASP 43 HA ASP 43 -11.410 1.598 4.577 335 HB2 ASP 43 HB2 ASP 43 -12.559 -0.106 3.160 336 HB3 ASP 43 HB3 ASP 43 -11.543 0.971 2.228 337 H GLY 44 H GLY 44 -9.082 -0.568 5.530 338 HA2 GLY 44 HA2 GLY 44 -9.206 -1.554 7.658 339 HA3 GLY 44 HA3 GLY 44 -10.953 -1.647 7.478 340 H ALA 45 H ALA 45 -9.855 -2.677 4.592 341 HA ALA 45 HA ALA 45 -9.490 -5.444 5.494 342 HB1 ALA 45 HB1 ALA 45 -11.236 -4.530 3.210 343 HB2 ALA 45 HB2 ALA 45 -11.817 -5.117 4.766 344 HB3 ALA 45 HB3 ALA 45 -10.944 -6.205 3.686 345 H VAL 46 H VAL 46 -8.227 -6.744 4.069 346 HA VAL 46 HA VAL 46 -6.473 -5.236 2.372 347 HB VAL 46 HB VAL 46 -6.393 -8.109 3.328 348 HG11 VAL 46 HG11 VAL 46 -4.074 -8.014 2.593 349 HG12 VAL 46 HG12 VAL 46 -4.399 -6.380 1.960 350 HG13 VAL 46 HG13 VAL 46 -5.245 -7.783 1.278 351 HG21 VAL 46 HG21 VAL 46 -6.140 -6.551 5.192 352 HG22 VAL 46 HG22 VAL 46 -4.860 -5.706 4.322 353 HG23 VAL 46 HG23 VAL 46 -4.616 -7.373 4.847 354 H ASN 47 H ASN 47 -7.321 -4.989 0.426 355 HA ASN 47 HA ASN 47 -8.495 -7.267 -0.945 356 HB2 ASN 47 HB2 ASN 47 -10.341 -5.651 -1.774 357 HB3 ASN 47 HB3 ASN 47 -10.486 -6.352 -0.170 358 HD21 ASN 47 HD21 ASN 47 -11.675 -4.811 0.748 359 HD22 ASN 47 HD22 ASN 47 -11.204 -3.168 0.998 360 H GLY 48 H GLY 48 -9.154 -6.461 -3.333 361 HA2 GLY 48 HA2 GLY 48 -6.676 -5.922 -4.557 362 HA3 GLY 48 HA3 GLY 48 -8.185 -6.026 -5.427 363 H ARG 49 H ARG 49 -9.077 -3.872 -3.424 364 HA ARG 49 HA ARG 49 -8.745 -1.540 -4.991 365 HB2 ARG 49 HB2 ARG 49 -9.281 -1.803 -2.036 366 HB3 ARG 49 HB3 ARG 49 -9.503 -0.336 -2.958 367 HG2 ARG 49 HG2 ARG 49 -10.979 -2.829 -3.687 368 HG3 ARG 49 HG3 ARG 49 -11.538 -1.800 -2.373 369 HD2 ARG 49 HD2 ARG 49 -12.689 -1.227 -4.450 370 HD3 ARG 49 HD3 ARG 49 -11.645 0.089 -3.920 371 HE ARG 49 HE ARG 49 -10.560 -1.735 -5.896 372 HH11 ARG 49 HH11 ARG 49 -12.201 1.323 -5.291 373 HH12 ARG 49 HH12 ARG 49 -11.724 2.081 -6.731 374 HH21 ARG 49 HH21 ARG 49 -9.851 -0.696 -7.918 375 HH22 ARG 49 HH22 ARG 49 -10.344 0.870 -8.275 376 H ASP 50 H ASP 50 -7.037 -2.840 -2.191 377 HA ASP 50 HA ASP 50 -5.276 -0.661 -1.769 378 HB2 ASP 50 HB2 ASP 50 -4.948 -3.553 -1.021 379 HB3 ASP 50 HB3 ASP 50 -4.053 -2.188 -0.368 380 H LEU 51 H LEU 51 -5.153 -3.680 -3.461 381 HA LEU 51 HA LEU 51 -2.496 -3.667 -4.321 382 HB2 LEU 51 HB2 LEU 51 -3.836 -5.631 -4.539 383 HB3 LEU 51 HB3 LEU 51 -5.014 -4.792 -5.516 384 HG LEU 51 HG LEU 51 -3.464 -4.760 -7.405 385 HD11 LEU 51 HD11 LEU 51 -1.345 -5.920 -7.362 386 HD12 LEU 51 HD12 LEU 51 -1.599 -6.408 -5.700 387 HD13 LEU 51 HD13 LEU 51 -1.323 -4.700 -6.082 388 HD21 LEU 51 HD21 LEU 51 -3.759 -7.447 -6.123 389 HD22 LEU 51 HD22 LEU 51 -3.473 -7.155 -7.843 390 HD23 LEU 51 HD23 LEU 51 -4.982 -6.626 -7.090 391 H MET 52 H MET 52 -5.409 -2.345 -5.818 392 HA MET 52 HA MET 52 -4.117 -1.223 -8.074 393 HB2 MET 52 HB2 MET 52 -6.751 -0.540 -6.790 394 HB3 MET 52 HB3 MET 52 -6.204 0.157 -8.313 395 HG2 MET 52 HG2 MET 52 -6.079 -2.138 -9.247 396 HG3 MET 52 HG3 MET 52 -6.734 -2.736 -7.720 397 HE1 MET 52 HE1 MET 52 -8.642 -3.974 -9.054 398 HE2 MET 52 HE2 MET 52 -8.024 -3.344 -10.582 399 HE3 MET 52 HE3 MET 52 -9.732 -3.174 -10.185 400 H GLU 53 H GLU 53 -4.609 -0.058 -4.851 401 HA GLU 53 HA GLU 53 -3.787 2.617 -5.333 402 HB2 GLU 53 HB2 GLU 53 -3.818 0.938 -2.843 403 HB3 GLU 53 HB3 GLU 53 -3.275 2.604 -2.868 404 HG2 GLU 53 HG2 GLU 53 -6.008 1.672 -3.683 405 HG3 GLU 53 HG3 GLU 53 -5.593 2.385 -2.122 406 H LEU 54 H LEU 54 -2.178 -0.294 -4.222 407 HA LEU 54 HA LEU 54 0.352 0.711 -3.755 408 HB2 LEU 54 HB2 LEU 54 -0.521 -1.543 -3.166 409 HB3 LEU 54 HB3 LEU 54 -0.356 -1.992 -4.838 410 HG LEU 54 HG LEU 54 2.048 -1.764 -4.747 411 HD11 LEU 54 HD11 LEU 54 3.179 -1.317 -2.609 412 HD12 LEU 54 HD12 LEU 54 1.614 -0.993 -1.862 413 HD13 LEU 54 HD13 LEU 54 2.218 0.062 -3.137 414 HD21 LEU 54 HD21 LEU 54 2.508 -3.597 -3.203 415 HD22 LEU 54 HD22 LEU 54 1.041 -3.881 -4.139 416 HD23 LEU 54 HD23 LEU 54 0.925 -3.364 -2.460 417 H ILE 55 H ILE 55 -0.962 -0.742 -6.644 418 HA ILE 55 HA ILE 55 1.253 -0.399 -8.387 419 HB ILE 55 HB ILE 55 -1.703 -0.272 -9.133 420 HG12 ILE 55 HG12 ILE 55 0.134 -2.690 -9.158 421 HG13 ILE 55 HG13 ILE 55 -0.993 -2.336 -7.861 422 HG21 ILE 55 HG21 ILE 55 -0.202 0.533 -10.918 423 HG22 ILE 55 HG22 ILE 55 -0.943 -1.004 -11.365 424 HG23 ILE 55 HG23 ILE 55 0.730 -0.963 -10.809 425 HD11 ILE 55 HD11 ILE 55 -1.749 -2.896 -10.732 426 HD12 ILE 55 HD12 ILE 55 -2.868 -2.603 -9.394 427 HD13 ILE 55 HD13 ILE 55 -1.855 -4.032 -9.387 428 H LYS 56 H LYS 56 -1.344 1.866 -7.589 429 HA LYS 56 HA LYS 56 -0.476 3.964 -9.246 430 HB2 LYS 56 HB2 LYS 56 -2.623 4.273 -8.347 431 HB3 LYS 56 HB3 LYS 56 -2.093 3.876 -6.721 432 HG2 LYS 56 HG2 LYS 56 -1.154 6.008 -6.379 433 HG3 LYS 56 HG3 LYS 56 -1.189 6.401 -8.098 434 HD2 LYS 56 HD2 LYS 56 -2.947 7.615 -6.932 435 HD3 LYS 56 HD3 LYS 56 -3.641 6.436 -8.032 436 HE2 LYS 56 HE2 LYS 56 -4.899 6.409 -5.976 437 HE3 LYS 56 HE3 LYS 56 -3.996 4.910 -6.100 438 HZ1 LYS 56 HZ1 LYS 56 -3.245 7.256 -4.417 439 HZ2 LYS 56 HZ2 LYS 56 -2.411 5.783 -4.461 440 HZ3 LYS 56 HZ3 LYS 56 -3.997 5.847 -3.910 441 H LYS 57 H LYS 57 0.457 3.133 -5.984 442 HA LYS 57 HA LYS 57 2.120 5.404 -5.433 443 HB2 LYS 57 HB2 LYS 57 2.366 2.651 -4.243 444 HB3 LYS 57 HB3 LYS 57 2.853 4.179 -3.526 445 HG2 LYS 57 HG2 LYS 57 0.012 3.324 -4.043 446 HG3 LYS 57 HG3 LYS 57 0.866 3.185 -2.513 447 HD2 LYS 57 HD2 LYS 57 0.380 5.806 -3.931 448 HD3 LYS 57 HD3 LYS 57 -0.707 5.117 -2.747 449 HE2 LYS 57 HE2 LYS 57 1.096 5.013 -1.088 450 HE3 LYS 57 HE3 LYS 57 2.182 5.836 -2.209 451 HZ1 LYS 57 HZ1 LYS 57 0.689 7.750 -2.152 452 HZ2 LYS 57 HZ2 LYS 57 1.190 7.346 -0.583 453 HZ3 LYS 57 HZ3 LYS 57 -0.346 6.929 -1.105 454 H VAL 58 H VAL 58 2.878 2.074 -6.408 455 HA VAL 58 HA VAL 58 5.647 2.527 -6.577 456 HB VAL 58 HB VAL 58 3.882 0.334 -7.619 457 HG11 VAL 58 HG11 VAL 58 6.883 0.368 -7.174 458 HG12 VAL 58 HG12 VAL 58 6.082 0.305 -8.746 459 HG13 VAL 58 HG13 VAL 58 5.946 -1.059 -7.628 460 HG21 VAL 58 HG21 VAL 58 5.455 0.643 -5.078 461 HG22 VAL 58 HG22 VAL 58 4.654 -0.842 -5.552 462 HG23 VAL 58 HG23 VAL 58 3.705 0.619 -5.249 463 H SER 59 H SER 59 3.037 2.743 -8.916 464 HA SER 59 HA SER 59 4.812 2.919 -11.125 465 HB2 SER 59 HB2 SER 59 1.891 3.737 -10.997 466 HB3 SER 59 HB3 SER 59 2.842 3.626 -12.479 467 HG SER 59 HG SER 59 1.927 1.652 -10.750 468 H ASN 60 H ASN 60 3.813 5.021 -8.666 469 HA ASN 60 HA ASN 60 4.211 7.485 -10.053 470 HB2 ASN 60 HB2 ASN 60 2.604 7.235 -8.164 471 HB3 ASN 60 HB3 ASN 60 3.948 6.848 -7.101 472 HD21 ASN 60 HD21 ASN 60 3.847 9.241 -9.617 473 HD22 ASN 60 HD22 ASN 60 4.064 10.599 -8.569 474 H ASN 61 H ASN 61 5.816 5.557 -7.523 475 HA ASN 61 HA ASN 61 8.146 7.234 -7.646 476 HB2 ASN 61 HB2 ASN 61 7.358 6.454 -5.470 477 HB3 ASN 61 HB3 ASN 61 7.598 4.784 -5.937 478 HD21 ASN 61 HD21 ASN 61 9.089 7.729 -5.007 479 HD22 ASN 61 HD22 ASN 61 10.663 7.130 -4.668 480 H THR 62 H THR 62 8.456 3.704 -7.356 481 HA THR 62 HA THR 62 9.618 3.311 -9.924 482 HB THR 62 HB THR 62 11.427 3.379 -7.454 483 HG1 THR 62 HG1 THR 62 10.792 5.330 -9.000 484 HG21 THR 62 HG21 THR 62 12.060 1.556 -8.984 485 HG22 THR 62 HG22 THR 62 13.277 2.832 -8.990 486 HG23 THR 62 HG23 THR 62 12.131 2.700 -10.323 487 H SER 63 H SER 63 9.838 1.038 -10.232 488 HA SER 63 HA SER 63 8.574 -0.597 -8.220 489 HB2 SER 63 HB2 SER 63 9.566 -1.298 -10.991 490 HB3 SER 63 HB3 SER 63 8.497 -2.277 -9.974 491 HG SER 63 HG SER 63 7.466 0.130 -10.122 Start of MODEL 14 1 H1 GLY -3 H1 GLY -3 -0.476 9.774 20.312 2 H2 GLY -3 H2 GLY -3 -2.102 9.893 19.890 3 H3 GLY -3 H3 GLY -3 -1.017 11.072 19.372 4 HA2 GLY -3 HA3 GLY -3 -1.595 9.563 17.589 5 HA3 GLY -3 HA2 GLY -3 0.108 9.444 18.007 6 H SER -2 H SER -2 -0.801 7.355 16.741 7 HA SER -2 HA SER -2 -1.625 5.344 18.670 8 HB2 SER -2 HB2 SER -2 -1.099 5.183 15.690 9 HB3 SER -2 HB3 SER -2 -1.758 3.885 16.685 10 HG SER -2 HG SER -2 -2.914 6.411 16.130 11 H ALA -1 H ALA -1 -0.228 3.724 19.351 12 HA ALA -1 HA ALA -1 2.581 4.230 18.949 13 HB1 ALA -1 HB1 ALA -1 1.228 2.094 20.616 14 HB2 ALA -1 HB2 ALA -1 1.732 3.680 21.202 15 HB3 ALA -1 HB3 ALA -1 2.940 2.517 20.663 16 H SER 0 H SER 0 2.125 3.801 16.643 17 HA SER 0 HA SER 0 3.212 1.281 15.832 18 HB2 SER 0 HB2 SER 0 0.455 2.120 14.830 19 HB3 SER 0 HB3 SER 0 1.381 0.725 14.279 20 HG SER 0 HG SER 0 0.992 0.814 16.981 21 H ASN 1 H ASN 1 4.283 1.665 13.860 22 HA ASN 1 HA ASN 1 3.755 4.226 12.566 23 HB2 ASN 1 HB2 ASN 1 5.957 4.181 13.869 24 HB3 ASN 1 HB3 ASN 1 6.479 2.907 12.778 25 HD21 ASN 1 HD21 ASN 1 5.853 6.288 13.126 26 HD22 ASN 1 HD22 ASN 1 6.545 6.777 11.627 27 H THR 2 H THR 2 2.401 3.176 11.278 28 HA THR 2 HA THR 2 3.359 0.996 9.611 29 HB THR 2 HB THR 2 0.570 2.101 10.034 30 HG1 THR 2 HG1 THR 2 2.121 0.174 11.348 31 HG21 THR 2 HG21 THR 2 0.827 0.877 7.920 32 HG22 THR 2 HG22 THR 2 -0.147 -0.057 9.056 33 HG23 THR 2 HG23 THR 2 1.542 -0.484 8.782 34 H ILE 3 H ILE 3 3.454 1.234 7.402 35 HA ILE 3 HA ILE 3 2.832 3.862 6.329 36 HB ILE 3 HB ILE 3 5.175 3.752 6.531 37 HG12 ILE 3 HG12 ILE 3 4.585 3.073 3.630 38 HG13 ILE 3 HG13 ILE 3 4.383 4.657 4.360 39 HG21 ILE 3 HG21 ILE 3 6.578 1.924 5.548 40 HG22 ILE 3 HG22 ILE 3 5.075 0.992 5.379 41 HG23 ILE 3 HG23 ILE 3 5.617 1.503 6.964 42 HD11 ILE 3 HD11 ILE 3 7.008 3.189 4.050 43 HD12 ILE 3 HD12 ILE 3 6.796 4.784 4.762 44 HD13 ILE 3 HD13 ILE 3 6.441 4.530 3.055 45 H LEU 4 H LEU 4 0.989 3.499 5.266 46 HA LEU 4 HA LEU 4 0.198 1.121 4.059 47 HB2 LEU 4 HB2 LEU 4 -0.716 3.931 3.465 48 HB3 LEU 4 HB3 LEU 4 -1.559 2.455 3.068 49 HG LEU 4 HG LEU 4 -1.074 3.556 5.830 50 HD11 LEU 4 HD11 LEU 4 -3.505 3.746 5.928 51 HD12 LEU 4 HD12 LEU 4 -3.608 3.217 4.250 52 HD13 LEU 4 HD13 LEU 4 -2.809 4.738 4.650 53 HD21 LEU 4 HD21 LEU 4 -2.450 1.002 5.017 54 HD22 LEU 4 HD22 LEU 4 -2.415 1.692 6.645 55 HD23 LEU 4 HD23 LEU 4 -0.910 1.182 5.872 56 H GLY 5 H GLY 5 1.041 0.211 2.353 57 HA2 GLY 5 HA2 GLY 5 1.301 0.391 -0.059 58 HA3 GLY 5 HA3 GLY 5 2.067 1.955 0.214 59 H ASP 6 H ASP 6 3.469 0.743 2.661 60 HA ASP 6 HA ASP 6 5.440 -0.703 1.096 61 HB2 ASP 6 HB2 ASP 6 6.323 1.430 1.782 62 HB3 ASP 6 HB3 ASP 6 5.849 1.143 3.448 63 H LEU 7 H LEU 7 4.748 -2.584 1.352 64 HA LEU 7 HA LEU 7 3.701 -3.682 3.773 65 HB2 LEU 7 HB2 LEU 7 4.153 -4.760 1.015 66 HB3 LEU 7 HB3 LEU 7 3.583 -5.767 2.319 67 HG LEU 7 HG LEU 7 1.541 -4.335 2.483 68 HD11 LEU 7 HD11 LEU 7 2.509 -3.048 -0.052 69 HD12 LEU 7 HD12 LEU 7 2.452 -2.262 1.524 70 HD13 LEU 7 HD13 LEU 7 0.959 -2.796 0.750 71 HD21 LEU 7 HD21 LEU 7 2.140 -5.524 -0.186 72 HD22 LEU 7 HD22 LEU 7 0.545 -5.100 0.412 73 HD23 LEU 7 HD23 LEU 7 1.489 -6.356 1.228 74 H ASN 8 H ASN 8 6.650 -3.992 1.887 75 HA ASN 8 HA ASN 8 7.571 -6.121 3.652 76 HB2 ASN 8 HB2 ASN 8 9.533 -6.356 2.229 77 HB3 ASN 8 HB3 ASN 8 8.105 -6.323 1.215 78 HD21 ASN 8 HD21 ASN 8 10.726 -5.845 0.385 79 HD22 ASN 8 HD22 ASN 8 10.864 -4.200 -0.126 80 H ASP 9 H ASP 9 7.485 -2.883 3.717 81 HA ASP 9 HA ASP 9 8.266 -1.321 5.047 82 HB2 ASP 9 HB2 ASP 9 7.521 -2.871 6.819 83 HB3 ASP 9 HB3 ASP 9 9.119 -3.602 6.826 84 H ASP 10 H ASP 10 9.651 -1.108 3.225 85 HA ASP 10 HA ASP 10 12.454 -1.205 4.066 86 HB2 ASP 10 HB2 ASP 10 13.171 -1.463 1.694 87 HB3 ASP 10 HB3 ASP 10 12.121 -2.770 2.235 88 H GLY 11 H GLY 11 9.915 0.764 3.567 89 HA2 GLY 11 HA2 GLY 11 10.006 3.043 4.060 90 HA3 GLY 11 HA3 GLY 11 11.679 3.088 3.516 91 H VAL 12 H VAL 12 9.842 1.450 1.276 92 HA VAL 12 HA VAL 12 9.169 3.851 -0.189 93 HB VAL 12 HB VAL 12 11.497 3.693 -0.769 94 HG11 VAL 12 HG11 VAL 12 11.929 1.453 -0.061 95 HG12 VAL 12 HG12 VAL 12 12.557 1.711 -1.694 96 HG13 VAL 12 HG13 VAL 12 11.062 0.801 -1.452 97 HG21 VAL 12 HG21 VAL 12 10.093 4.202 -2.694 98 HG22 VAL 12 HG22 VAL 12 9.924 2.481 -3.040 99 HG23 VAL 12 HG23 VAL 12 11.498 3.258 -3.190 100 H VAL 13 H VAL 13 7.504 3.557 -1.628 101 HA VAL 13 HA VAL 13 6.269 0.999 -1.649 102 HB VAL 13 HB VAL 13 4.593 2.211 -3.181 103 HG11 VAL 13 HG11 VAL 13 5.151 3.388 -0.444 104 HG12 VAL 13 HG12 VAL 13 4.200 1.940 -0.770 105 HG13 VAL 13 HG13 VAL 13 3.618 3.514 -1.303 106 HG21 VAL 13 HG21 VAL 13 6.057 3.986 -3.974 107 HG22 VAL 13 HG22 VAL 13 6.208 4.636 -2.342 108 HG23 VAL 13 HG23 VAL 13 4.668 4.696 -3.164 109 H ASN 14 H ASN 14 7.271 -0.468 -2.768 110 HA ASN 14 HA ASN 14 8.145 0.164 -5.467 111 HB2 ASN 14 HB2 ASN 14 10.206 -1.105 -5.190 112 HB3 ASN 14 HB3 ASN 14 10.174 0.245 -4.102 113 HD21 ASN 14 HD21 ASN 14 11.877 -1.797 -3.905 114 HD22 ASN 14 HD22 ASN 14 11.563 -2.604 -2.411 115 H GLY 15 H GLY 15 8.931 -1.980 -6.541 116 HA2 GLY 15 HA2 GLY 15 6.594 -3.456 -7.099 117 HA3 GLY 15 HA3 GLY 15 8.147 -3.928 -7.642 118 H ARG 16 H ARG 16 9.006 -3.988 -4.736 119 HA ARG 16 HA ARG 16 8.706 -6.775 -4.264 120 HB2 ARG 16 HB2 ARG 16 9.484 -4.579 -2.382 121 HB3 ARG 16 HB3 ARG 16 9.689 -6.289 -2.059 122 HG2 ARG 16 HG2 ARG 16 11.027 -4.766 -4.283 123 HG3 ARG 16 HG3 ARG 16 11.770 -5.171 -2.736 124 HD2 ARG 16 HD2 ARG 16 11.445 -7.561 -3.249 125 HD3 ARG 16 HD3 ARG 16 10.778 -7.105 -4.818 126 HE ARG 16 HE ARG 16 13.100 -5.869 -4.884 127 HH11 ARG 16 HH11 ARG 16 12.416 -9.192 -3.850 128 HH12 ARG 16 HH12 ARG 16 13.917 -9.800 -4.364 129 HH21 ARG 16 HH21 ARG 16 15.134 -6.711 -5.623 130 HH22 ARG 16 HH22 ARG 16 15.491 -8.359 -5.419 131 H ASP 17 H ASP 17 6.969 -3.929 -3.211 132 HA ASP 17 HA ASP 17 5.551 -5.116 -1.082 133 HB2 ASP 17 HB2 ASP 17 4.884 -2.713 -2.763 134 HB3 ASP 17 HB3 ASP 17 4.069 -3.165 -1.277 135 H ILE 18 H ILE 18 4.903 -4.641 -4.503 136 HA ILE 18 HA ILE 18 2.333 -5.580 -4.736 137 HB ILE 18 HB ILE 18 4.708 -5.854 -6.600 138 HG12 ILE 18 HG12 ILE 18 3.585 -4.236 -7.981 139 HG13 ILE 18 HG13 ILE 18 2.180 -4.234 -6.878 140 HG21 ILE 18 HG21 ILE 18 1.892 -6.686 -7.278 141 HG22 ILE 18 HG22 ILE 18 3.259 -7.760 -7.060 142 HG23 ILE 18 HG23 ILE 18 3.250 -6.612 -8.407 143 HD11 ILE 18 HD11 ILE 18 4.940 -3.229 -6.287 144 HD12 ILE 18 HD12 ILE 18 3.551 -3.180 -5.219 145 HD13 ILE 18 HD13 ILE 18 3.533 -2.265 -6.733 146 H VAL 19 H VAL 19 5.305 -7.380 -4.630 147 HA VAL 19 HA VAL 19 4.307 -10.022 -4.971 148 HB VAL 19 HB VAL 19 6.624 -9.336 -3.174 149 HG11 VAL 19 HG11 VAL 19 6.060 -11.713 -4.933 150 HG12 VAL 19 HG12 VAL 19 6.003 -11.669 -3.175 151 HG13 VAL 19 HG13 VAL 19 7.542 -11.461 -4.018 152 HG21 VAL 19 HG21 VAL 19 8.083 -9.416 -5.183 153 HG22 VAL 19 HG22 VAL 19 6.986 -8.044 -5.136 154 HG23 VAL 19 HG23 VAL 19 6.619 -9.419 -6.187 155 H MET 20 H MET 20 4.911 -8.182 -2.072 156 HA MET 20 HA MET 20 4.122 -10.137 -0.173 157 HB2 MET 20 HB2 MET 20 3.907 -7.146 0.199 158 HB3 MET 20 HB3 MET 20 4.132 -8.402 1.411 159 HG2 MET 20 HG2 MET 20 6.169 -7.779 -0.707 160 HG3 MET 20 HG3 MET 20 6.165 -7.001 0.860 161 HE1 MET 20 HE1 MET 20 5.528 -9.092 2.969 162 HE2 MET 20 HE2 MET 20 6.978 -8.100 3.065 163 HE3 MET 20 HE3 MET 20 7.086 -9.843 3.299 164 H MET 21 H MET 21 2.431 -7.491 -1.740 165 HA MET 21 HA MET 21 -0.093 -7.432 -0.597 166 HB2 MET 21 HB2 MET 21 0.883 -5.908 -2.369 167 HB3 MET 21 HB3 MET 21 0.627 -7.204 -3.513 168 HG2 MET 21 HG2 MET 21 -1.043 -5.712 -3.950 169 HG3 MET 21 HG3 MET 21 -1.923 -6.889 -3.021 170 HE1 MET 21 HE1 MET 21 -2.878 -6.284 -0.507 171 HE2 MET 21 HE2 MET 21 -2.469 -4.764 0.295 172 HE3 MET 21 HE3 MET 21 -1.230 -5.980 0.067 173 H ARG 22 H ARG 22 1.010 -9.166 -3.429 174 HA ARG 22 HA ARG 22 -1.318 -10.592 -3.990 175 HB2 ARG 22 HB2 ARG 22 1.519 -10.815 -4.805 176 HB3 ARG 22 HB3 ARG 22 0.348 -12.037 -5.331 177 HG2 ARG 22 HG2 ARG 22 -0.914 -10.312 -6.443 178 HG3 ARG 22 HG3 ARG 22 0.171 -9.071 -5.801 179 HD2 ARG 22 HD2 ARG 22 2.007 -9.940 -7.020 180 HD3 ARG 22 HD3 ARG 22 1.117 -11.362 -7.529 181 HE ARG 22 HE ARG 22 -0.318 -9.280 -8.505 182 HH11 ARG 22 HH11 ARG 22 3.062 -10.343 -8.819 183 HH12 ARG 22 HH12 ARG 22 3.296 -9.656 -10.352 184 HH21 ARG 22 HH21 ARG 22 0.004 -8.336 -10.645 185 HH22 ARG 22 HH22 ARG 22 1.528 -8.438 -11.390 186 H GLN 23 H GLN 23 1.388 -11.393 -1.869 187 HA GLN 23 HA GLN 23 0.888 -14.146 -1.628 188 HB2 GLN 23 HB2 GLN 23 1.945 -12.247 0.413 189 HB3 GLN 23 HB3 GLN 23 2.112 -13.992 0.457 190 HG2 GLN 23 HG2 GLN 23 3.353 -12.113 -1.524 191 HG3 GLN 23 HG3 GLN 23 4.163 -12.881 -0.187 192 HE21 GLN 23 HE21 GLN 23 5.633 -13.966 -1.410 193 HE22 GLN 23 HE22 GLN 23 5.168 -15.310 -2.415 194 H TYR 24 H TYR 24 -0.025 -11.423 0.464 195 HA TYR 24 HA TYR 24 -1.534 -12.996 2.248 196 HB2 TYR 24 HB2 TYR 24 -0.557 -10.805 2.735 197 HB3 TYR 24 HB3 TYR 24 -1.721 -10.011 1.746 198 HD1 TYR 24 HD1 TYR 24 -4.181 -10.140 2.365 199 HD2 TYR 24 HD2 TYR 24 -1.129 -11.441 5.017 200 HE1 TYR 24 HE1 TYR 24 -5.755 -10.025 4.178 201 HE2 TYR 24 HE2 TYR 24 -2.718 -11.331 6.894 202 HH TYR 24 HH TYR 24 -6.079 -10.984 6.400 203 H LEU 25 H LEU 25 -2.350 -11.017 -0.422 204 HA LEU 25 HA LEU 25 -5.165 -11.308 -0.557 205 HB2 LEU 25 HB2 LEU 25 -3.237 -11.114 -2.870 206 HB3 LEU 25 HB3 LEU 25 -4.970 -11.069 -3.059 207 HG LEU 25 HG LEU 25 -3.305 -9.044 -1.580 208 HD11 LEU 25 HD11 LEU 25 -2.941 -8.947 -3.987 209 HD12 LEU 25 HD12 LEU 25 -3.910 -7.562 -3.475 210 HD13 LEU 25 HD13 LEU 25 -4.682 -8.930 -4.267 211 HD21 LEU 25 HD21 LEU 25 -6.252 -9.029 -2.259 212 HD22 LEU 25 HD22 LEU 25 -5.361 -7.688 -1.569 213 HD23 LEU 25 HD23 LEU 25 -5.562 -9.175 -0.639 214 H ALA 26 H ALA 26 -2.696 -13.540 -1.496 215 HA ALA 26 HA ALA 26 -4.510 -15.418 -2.756 216 HB1 ALA 26 HB1 ALA 26 -2.205 -15.126 -3.543 217 HB2 ALA 26 HB2 ALA 26 -2.550 -16.789 -3.096 218 HB3 ALA 26 HB3 ALA 26 -1.615 -15.756 -2.009 219 H GLY 27 H GLY 27 -3.837 -14.651 0.376 220 HA2 GLY 27 HA2 GLY 27 -4.769 -15.658 2.231 221 HA3 GLY 27 HA3 GLY 27 -4.941 -17.128 1.295 222 H LYS 28 H LYS 28 -1.817 -15.734 1.094 223 HA LYS 28 HA LYS 28 -0.797 -17.929 2.699 224 HB2 LYS 28 HB2 LYS 28 0.935 -15.852 1.253 225 HB3 LYS 28 HB3 LYS 28 1.343 -17.432 1.837 226 HG2 LYS 28 HG2 LYS 28 -0.001 -18.504 0.155 227 HG3 LYS 28 HG3 LYS 28 -0.555 -16.911 -0.400 228 HD2 LYS 28 HD2 LYS 28 1.733 -16.298 -0.959 229 HD3 LYS 28 HD3 LYS 28 2.302 -17.871 -0.411 230 HE2 LYS 28 HE2 LYS 28 0.362 -17.407 -2.676 231 HE3 LYS 28 HE3 LYS 28 2.080 -17.730 -2.861 232 HZ1 LYS 28 HZ1 LYS 28 1.724 -19.889 -1.779 233 HZ2 LYS 28 HZ2 LYS 28 0.835 -19.731 -3.185 234 HZ3 LYS 28 HZ3 LYS 28 0.062 -19.593 -1.698 235 H THR 29 H THR 29 0.603 -17.588 4.410 236 HA THR 29 HA THR 29 0.142 -15.089 5.852 237 HB THR 29 HB THR 29 1.550 -17.613 6.819 238 HG1 THR 29 HG1 THR 29 -1.007 -17.243 6.373 239 HG21 THR 29 HG21 THR 29 1.232 -16.665 9.053 240 HG22 THR 29 HG22 THR 29 0.440 -15.254 8.354 241 HG23 THR 29 HG23 THR 29 2.149 -15.547 8.041 242 H VAL 30 H VAL 30 1.551 -13.562 5.323 243 HA VAL 30 HA VAL 30 4.055 -14.320 4.120 244 HB VAL 30 HB VAL 30 3.278 -11.490 4.643 245 HG11 VAL 30 HG11 VAL 30 4.661 -12.828 2.322 246 HG12 VAL 30 HG12 VAL 30 5.417 -11.853 3.584 247 HG13 VAL 30 HG13 VAL 30 4.319 -11.110 2.423 248 HG21 VAL 30 HG21 VAL 30 1.197 -12.413 3.829 249 HG22 VAL 30 HG22 VAL 30 2.031 -13.188 2.488 250 HG23 VAL 30 HG23 VAL 30 1.929 -11.427 2.561 251 H SER 31 H SER 31 5.690 -14.681 5.378 252 HA SER 31 HA SER 31 5.882 -13.746 8.073 253 HB2 SER 31 HB2 SER 31 6.692 -15.989 7.143 254 HB3 SER 31 HB3 SER 31 8.000 -15.099 6.377 255 HG SER 31 HG SER 31 8.519 -14.355 8.591 256 H GLY 32 H GLY 32 6.549 -11.674 8.533 257 HA2 GLY 32 HA2 GLY 32 8.201 -10.013 8.598 258 HA3 GLY 32 HA3 GLY 32 8.856 -10.630 7.095 259 H ILE 33 H ILE 33 5.423 -10.029 7.415 260 HA ILE 33 HA ILE 33 5.745 -7.778 5.579 261 HB ILE 33 HB ILE 33 4.385 -9.829 4.819 262 HG12 ILE 33 HG12 ILE 33 2.873 -7.210 4.955 263 HG13 ILE 33 HG13 ILE 33 4.136 -7.559 3.807 264 HG21 ILE 33 HG21 ILE 33 2.450 -8.822 6.908 265 HG22 ILE 33 HG22 ILE 33 3.247 -10.397 6.883 266 HG23 ILE 33 HG23 ILE 33 2.052 -9.990 5.652 267 HD11 ILE 33 HD11 ILE 33 1.484 -9.012 4.002 268 HD12 ILE 33 HD12 ILE 33 2.789 -9.449 2.927 269 HD13 ILE 33 HD13 ILE 33 1.976 -7.904 2.720 270 H ASP 34 H ASP 34 4.593 -5.880 6.056 271 HA ASP 34 HA ASP 34 3.678 -5.706 8.829 272 HB2 ASP 34 HB2 ASP 34 5.103 -3.813 7.743 273 HB3 ASP 34 HB3 ASP 34 3.672 -3.468 6.785 274 H LYS 35 H LYS 35 1.715 -6.586 8.974 275 HA LYS 35 HA LYS 35 0.091 -7.089 6.759 276 HB2 LYS 35 HB2 LYS 35 0.134 -8.330 8.957 277 HB3 LYS 35 HB3 LYS 35 -0.911 -7.060 9.588 278 HG2 LYS 35 HG2 LYS 35 -2.351 -7.616 7.465 279 HG3 LYS 35 HG3 LYS 35 -1.486 -9.146 7.533 280 HD2 LYS 35 HD2 LYS 35 -3.491 -9.461 8.721 281 HD3 LYS 35 HD3 LYS 35 -2.223 -9.307 9.942 282 HE2 LYS 35 HE2 LYS 35 -2.832 -6.976 10.318 283 HE3 LYS 35 HE3 LYS 35 -4.029 -7.063 9.033 284 HZ1 LYS 35 HZ1 LYS 35 -5.060 -7.235 11.150 285 HZ2 LYS 35 HZ2 LYS 35 -4.087 -8.515 11.615 286 HZ3 LYS 35 HZ3 LYS 35 -5.227 -8.725 10.389 287 H ASN 36 H ASN 36 0.210 -4.326 8.869 288 HA ASN 36 HA ASN 36 -2.474 -3.513 8.236 289 HB2 ASN 36 HB2 ASN 36 -0.310 -2.277 9.919 290 HB3 ASN 36 HB3 ASN 36 -1.867 -1.522 9.632 291 HD21 ASN 36 HD21 ASN 36 -0.172 -4.046 11.261 292 HD22 ASN 36 HD22 ASN 36 -1.488 -4.553 12.268 293 H ALA 37 H ALA 37 0.547 -3.291 6.830 294 HA ALA 37 HA ALA 37 0.212 -0.640 5.728 295 HB1 ALA 37 HB1 ALA 37 2.214 -2.789 5.072 296 HB2 ALA 37 HB2 ALA 37 2.436 -1.499 6.258 297 HB3 ALA 37 HB3 ALA 37 2.294 -1.107 4.547 298 H LEU 38 H LEU 38 -1.138 -3.533 5.112 299 HA LEU 38 HA LEU 38 -1.064 -3.562 2.240 300 HB2 LEU 38 HB2 LEU 38 -2.499 -5.252 4.249 301 HB3 LEU 38 HB3 LEU 38 -2.819 -5.381 2.540 302 HG LEU 38 HG LEU 38 -0.454 -6.030 2.183 303 HD11 LEU 38 HD11 LEU 38 -0.381 -6.089 5.144 304 HD12 LEU 38 HD12 LEU 38 0.511 -4.986 4.105 305 HD13 LEU 38 HD13 LEU 38 0.857 -6.725 4.061 306 HD21 LEU 38 HD21 LEU 38 -0.694 -8.237 3.163 307 HD22 LEU 38 HD22 LEU 38 -2.155 -7.671 2.355 308 HD23 LEU 38 HD23 LEU 38 -2.054 -7.641 4.115 309 H ASP 39 H ASP 39 -3.240 -2.382 4.692 310 HA ASP 39 HA ASP 39 -5.286 -2.096 2.667 311 HB2 ASP 39 HB2 ASP 39 -5.997 -2.840 4.886 312 HB3 ASP 39 HB3 ASP 39 -5.398 -1.335 5.596 313 H ILE 40 H ILE 40 -4.180 -0.879 1.400 314 HA ILE 40 HA ILE 40 -2.930 1.572 2.101 315 HB ILE 40 HB ILE 40 -3.458 0.462 -0.683 316 HG12 ILE 40 HG12 ILE 40 -1.040 0.174 1.055 317 HG13 ILE 40 HG13 ILE 40 -2.284 -1.051 1.009 318 HG21 ILE 40 HG21 ILE 40 -2.812 2.821 -0.596 319 HG22 ILE 40 HG22 ILE 40 -1.529 1.829 -1.302 320 HG23 ILE 40 HG23 ILE 40 -1.388 2.410 0.364 321 HD11 ILE 40 HD11 ILE 40 -0.437 -1.668 -0.408 322 HD12 ILE 40 HD12 ILE 40 -0.601 -0.158 -1.320 323 HD13 ILE 40 HD13 ILE 40 -1.882 -1.375 -1.364 324 H ASN 41 H ASN 41 -5.969 0.686 0.664 325 HA ASN 41 HA ASN 41 -6.542 3.477 0.087 326 HB2 ASN 41 HB2 ASN 41 -8.571 2.785 -0.961 327 HB3 ASN 41 HB3 ASN 41 -7.381 1.570 -1.396 328 HD21 ASN 41 HD21 ASN 41 -10.162 1.295 -1.490 329 HD22 ASN 41 HD22 ASN 41 -10.614 0.054 -0.351 330 H GLY 42 H GLY 42 -6.669 1.503 2.745 331 HA2 GLY 42 HA2 GLY 42 -7.483 1.806 4.870 332 HA3 GLY 42 HA3 GLY 42 -7.852 3.456 4.403 333 H ASP 43 H ASP 43 -9.140 0.195 3.691 334 HA ASP 43 HA ASP 43 -11.791 1.338 4.225 335 HB2 ASP 43 HB2 ASP 43 -12.869 -0.319 2.696 336 HB3 ASP 43 HB3 ASP 43 -11.800 0.789 1.860 337 H GLY 44 H GLY 44 -9.531 -0.855 5.267 338 HA2 GLY 44 HA2 GLY 44 -9.836 -1.830 7.394 339 HA3 GLY 44 HA3 GLY 44 -11.548 -1.981 7.035 340 H ALA 45 H ALA 45 -10.154 -2.937 4.267 341 HA ALA 45 HA ALA 45 -9.699 -5.694 5.169 342 HB1 ALA 45 HB1 ALA 45 -11.085 -6.538 3.343 343 HB2 ALA 45 HB2 ALA 45 -11.513 -4.881 2.901 344 HB3 ALA 45 HB3 ALA 45 -12.032 -5.541 4.452 345 H VAL 46 H VAL 46 -8.374 -6.938 3.689 346 HA VAL 46 HA VAL 46 -6.718 -5.254 2.058 347 HB VAL 46 HB VAL 46 -6.444 -8.155 2.873 348 HG11 VAL 46 HG11 VAL 46 -5.314 -7.551 0.842 349 HG12 VAL 46 HG12 VAL 46 -4.155 -7.890 2.150 350 HG13 VAL 46 HG13 VAL 46 -4.533 -6.206 1.684 351 HG21 VAL 46 HG21 VAL 46 -6.339 -6.695 4.829 352 HG22 VAL 46 HG22 VAL 46 -5.106 -5.708 4.039 353 HG23 VAL 46 HG23 VAL 46 -4.754 -7.380 4.473 354 H ASN 47 H ASN 47 -7.459 -5.032 0.058 355 HA ASN 47 HA ASN 47 -8.552 -7.329 -1.294 356 HB2 ASN 47 HB2 ASN 47 -10.331 -5.647 -2.193 357 HB3 ASN 47 HB3 ASN 47 -10.597 -6.456 -0.651 358 HD21 ASN 47 HD21 ASN 47 -11.840 -4.962 0.293 359 HD22 ASN 47 HD22 ASN 47 -11.370 -3.345 0.654 360 H GLY 48 H GLY 48 -9.146 -6.486 -3.682 361 HA2 GLY 48 HA2 GLY 48 -6.628 -5.971 -4.827 362 HA3 GLY 48 HA3 GLY 48 -8.123 -6.029 -5.727 363 H ARG 49 H ARG 49 -9.106 -3.892 -3.744 364 HA ARG 49 HA ARG 49 -8.642 -1.581 -5.269 365 HB2 ARG 49 HB2 ARG 49 -9.204 -1.583 -2.312 366 HB3 ARG 49 HB3 ARG 49 -9.576 -0.322 -3.465 367 HG2 ARG 49 HG2 ARG 49 -11.122 -2.082 -4.547 368 HG3 ARG 49 HG3 ARG 49 -10.864 -2.934 -3.039 369 HD2 ARG 49 HD2 ARG 49 -11.630 -1.101 -1.705 370 HD3 ARG 49 HD3 ARG 49 -11.890 -0.119 -3.142 371 HE ARG 49 HE ARG 49 -13.576 -1.750 -3.799 372 HH11 ARG 49 HH11 ARG 49 -12.721 -1.535 -0.307 373 HH12 ARG 49 HH12 ARG 49 -14.241 -2.065 0.203 374 HH21 ARG 49 HH21 ARG 49 -15.648 -2.533 -3.001 375 HH22 ARG 49 HH22 ARG 49 -15.901 -2.700 -1.336 376 H ASP 50 H ASP 50 -6.974 -2.963 -2.477 377 HA ASP 50 HA ASP 50 -5.288 -0.738 -1.963 378 HB2 ASP 50 HB2 ASP 50 -4.916 -3.628 -1.164 379 HB3 ASP 50 HB3 ASP 50 -4.122 -2.206 -0.485 380 H LEU 51 H LEU 51 -5.103 -3.736 -3.662 381 HA LEU 51 HA LEU 51 -2.421 -3.669 -4.444 382 HB2 LEU 51 HB2 LEU 51 -3.724 -5.674 -4.787 383 HB3 LEU 51 HB3 LEU 51 -4.834 -4.824 -5.829 384 HG LEU 51 HG LEU 51 -3.155 -4.676 -7.591 385 HD11 LEU 51 HD11 LEU 51 -0.994 -5.733 -7.437 386 HD12 LEU 51 HD12 LEU 51 -1.339 -6.307 -5.822 387 HD13 LEU 51 HD13 LEU 51 -1.124 -4.571 -6.111 388 HD21 LEU 51 HD21 LEU 51 -3.004 -7.047 -8.114 389 HD22 LEU 51 HD22 LEU 51 -4.593 -6.634 -7.459 390 HD23 LEU 51 HD23 LEU 51 -3.385 -7.424 -6.435 391 H MET 52 H MET 52 -5.310 -2.346 -5.968 392 HA MET 52 HA MET 52 -4.115 -1.129 -8.233 393 HB2 MET 52 HB2 MET 52 -6.569 -0.272 -6.700 394 HB3 MET 52 HB3 MET 52 -6.105 0.362 -8.267 395 HG2 MET 52 HG2 MET 52 -6.389 -1.827 -9.255 396 HG3 MET 52 HG3 MET 52 -6.783 -2.508 -7.675 397 HE1 MET 52 HE1 MET 52 -8.730 -2.976 -10.110 398 HE2 MET 52 HE2 MET 52 -10.287 -2.646 -9.349 399 HE3 MET 52 HE3 MET 52 -9.044 -3.529 -8.466 400 H GLU 53 H GLU 53 -4.699 0.076 -4.973 401 HA GLU 53 HA GLU 53 -3.723 2.693 -5.358 402 HB2 GLU 53 HB2 GLU 53 -3.879 0.971 -2.905 403 HB3 GLU 53 HB3 GLU 53 -3.354 2.643 -2.865 404 HG2 GLU 53 HG2 GLU 53 -6.059 1.616 -3.690 405 HG3 GLU 53 HG3 GLU 53 -5.660 2.472 -2.201 406 H LEU 54 H LEU 54 -2.228 -0.300 -4.330 407 HA LEU 54 HA LEU 54 0.298 0.651 -3.788 408 HB2 LEU 54 HB2 LEU 54 -0.648 -1.604 -3.281 409 HB3 LEU 54 HB3 LEU 54 -0.417 -2.012 -4.952 410 HG LEU 54 HG LEU 54 1.968 -1.872 -4.771 411 HD11 LEU 54 HD11 LEU 54 1.454 -1.018 -1.926 412 HD12 LEU 54 HD12 LEU 54 2.155 -0.022 -3.204 413 HD13 LEU 54 HD13 LEU 54 3.034 -1.421 -2.594 414 HD21 LEU 54 HD21 LEU 54 2.348 -3.678 -3.185 415 HD22 LEU 54 HD22 LEU 54 0.885 -3.950 -4.131 416 HD23 LEU 54 HD23 LEU 54 0.766 -3.389 -2.467 417 H ILE 55 H ILE 55 -1.040 -0.679 -6.753 418 HA ILE 55 HA ILE 55 1.161 -0.347 -8.497 419 HB ILE 55 HB ILE 55 -1.798 -0.054 -9.146 420 HG12 ILE 55 HG12 ILE 55 -0.012 -2.489 -9.457 421 HG13 ILE 55 HG13 ILE 55 -1.122 -2.227 -8.124 422 HG21 ILE 55 HG21 ILE 55 0.536 -0.578 -11.015 423 HG22 ILE 55 HG22 ILE 55 -0.406 0.910 -10.932 424 HG23 ILE 55 HG23 ILE 55 -1.165 -0.582 -11.485 425 HD11 ILE 55 HD11 ILE 55 -3.008 -2.271 -9.682 426 HD12 ILE 55 HD12 ILE 55 -2.060 -3.745 -9.764 427 HD13 ILE 55 HD13 ILE 55 -1.894 -2.525 -11.026 428 H LYS 56 H LYS 56 -1.411 1.937 -7.714 429 HA LYS 56 HA LYS 56 -0.636 4.201 -9.122 430 HB2 LYS 56 HB2 LYS 56 -2.680 4.203 -7.985 431 HB3 LYS 56 HB3 LYS 56 -1.932 3.752 -6.464 432 HG2 LYS 56 HG2 LYS 56 -0.925 6.013 -6.329 433 HG3 LYS 56 HG3 LYS 56 -1.816 6.471 -7.795 434 HD2 LYS 56 HD2 LYS 56 -3.022 5.506 -5.189 435 HD3 LYS 56 HD3 LYS 56 -2.949 7.188 -5.716 436 HE2 LYS 56 HE2 LYS 56 -4.381 6.680 -7.613 437 HE3 LYS 56 HE3 LYS 56 -4.391 4.972 -7.182 438 HZ1 LYS 56 HZ1 LYS 56 -5.458 7.120 -5.442 439 HZ2 LYS 56 HZ2 LYS 56 -5.599 5.444 -5.208 440 HZ3 LYS 56 HZ3 LYS 56 -6.373 6.189 -6.503 441 H LYS 57 H LYS 57 0.363 3.203 -5.884 442 HA LYS 57 HA LYS 57 2.073 5.360 -5.270 443 HB2 LYS 57 HB2 LYS 57 2.118 2.526 -4.239 444 HB3 LYS 57 HB3 LYS 57 2.957 3.865 -3.499 445 HG2 LYS 57 HG2 LYS 57 -0.026 3.471 -3.695 446 HG3 LYS 57 HG3 LYS 57 1.003 3.339 -2.266 447 HD2 LYS 57 HD2 LYS 57 0.517 5.864 -3.848 448 HD3 LYS 57 HD3 LYS 57 -0.273 5.434 -2.342 449 HE2 LYS 57 HE2 LYS 57 1.892 5.332 -1.194 450 HE3 LYS 57 HE3 LYS 57 2.703 5.804 -2.679 451 HZ1 LYS 57 HZ1 LYS 57 2.438 7.684 -1.251 452 HZ2 LYS 57 HZ2 LYS 57 0.757 7.466 -1.172 453 HZ3 LYS 57 HZ3 LYS 57 1.487 7.912 -2.626 454 H VAL 58 H VAL 58 2.850 2.068 -6.285 455 HA VAL 58 HA VAL 58 5.611 2.414 -6.438 456 HB VAL 58 HB VAL 58 3.716 0.390 -7.589 457 HG11 VAL 58 HG11 VAL 58 5.625 -1.129 -7.785 458 HG12 VAL 58 HG12 VAL 58 6.688 0.125 -7.169 459 HG13 VAL 58 HG13 VAL 58 5.930 0.318 -8.756 460 HG21 VAL 58 HG21 VAL 58 5.358 0.479 -5.080 461 HG22 VAL 58 HG22 VAL 58 4.457 -0.930 -5.609 462 HG23 VAL 58 HG23 VAL 58 3.607 0.570 -5.211 463 H SER 59 H SER 59 3.065 2.899 -8.794 464 HA SER 59 HA SER 59 4.747 3.027 -11.049 465 HB2 SER 59 HB2 SER 59 2.324 2.664 -11.280 466 HB3 SER 59 HB3 SER 59 2.008 4.267 -10.630 467 HG SER 59 HG SER 59 3.542 3.853 -12.973 468 H ASN 60 H ASN 60 3.759 5.353 -8.628 469 HA ASN 60 HA ASN 60 4.684 7.666 -10.035 470 HB2 ASN 60 HB2 ASN 60 2.832 7.543 -8.292 471 HB3 ASN 60 HB3 ASN 60 4.115 7.396 -7.102 472 HD21 ASN 60 HD21 ASN 60 2.570 9.396 -9.336 473 HD22 ASN 60 HD22 ASN 60 3.281 10.898 -8.882 474 H ASN 61 H ASN 61 5.744 5.651 -7.379 475 HA ASN 61 HA ASN 61 8.146 7.244 -6.967 476 HB2 ASN 61 HB2 ASN 61 6.511 6.508 -5.139 477 HB3 ASN 61 HB3 ASN 61 7.120 4.887 -5.420 478 HD21 ASN 61 HD21 ASN 61 9.180 7.742 -5.460 479 HD22 ASN 61 HD22 ASN 61 10.033 7.312 -4.039 480 H THR 62 H THR 62 9.817 5.174 -5.924 481 HA THR 62 HA THR 62 10.918 4.157 -8.342 482 HB THR 62 HB THR 62 11.780 3.659 -5.488 483 HG1 THR 62 HG1 THR 62 11.778 5.898 -7.070 484 HG21 THR 62 HG21 THR 62 13.328 3.721 -8.096 485 HG22 THR 62 HG22 THR 62 12.877 2.265 -7.208 486 HG23 THR 62 HG23 THR 62 14.011 3.415 -6.496 487 H SER 63 H SER 63 10.000 2.387 -9.201 488 HA SER 63 HA SER 63 8.567 0.419 -7.730 489 HB2 SER 63 HB2 SER 63 9.621 0.105 -10.524 490 HB3 SER 63 HB3 SER 63 8.154 -0.570 -9.824 491 HG SER 63 HG SER 63 7.660 1.883 -9.557 Start of MODEL 15 1 H1 GLY -3 H1 GLY -3 13.976 -0.623 13.347 2 H2 GLY -3 H2 GLY -3 13.866 0.670 14.383 3 H3 GLY -3 H3 GLY -3 15.393 0.190 13.815 4 HA2 GLY -3 HA3 GLY -3 14.652 2.161 12.663 5 HA3 GLY -3 HA2 GLY -3 14.636 0.787 11.562 6 H SER -2 H SER -2 13.119 2.590 10.662 7 HA SER -2 HA SER -2 11.110 3.170 9.939 8 HB2 SER -2 HB2 SER -2 10.057 0.721 11.381 9 HB3 SER -2 HB3 SER -2 9.226 1.613 10.106 10 HG SER -2 HG SER -2 10.174 -0.018 9.037 11 H ALA -1 H ALA -1 10.995 5.080 11.008 12 HA ALA -1 HA ALA -1 10.053 5.421 13.651 13 HB1 ALA -1 HB1 ALA -1 9.859 7.326 11.313 14 HB2 ALA -1 HB2 ALA -1 11.236 7.177 12.405 15 HB3 ALA -1 HB3 ALA -1 9.684 7.760 13.015 16 H SER 0 H SER 0 8.495 5.430 10.525 17 HA SER 0 HA SER 0 5.875 5.277 11.762 18 HB2 SER 0 HB2 SER 0 6.324 6.689 9.687 19 HB3 SER 0 HB3 SER 0 6.671 5.196 8.822 20 HG SER 0 HG SER 0 4.222 5.712 10.150 21 H ASN 1 H ASN 1 5.563 3.310 12.574 22 HA ASN 1 HA ASN 1 6.883 0.902 11.844 23 HB2 ASN 1 HB2 ASN 1 5.802 1.237 14.060 24 HB3 ASN 1 HB3 ASN 1 4.230 1.231 13.273 25 HD21 ASN 1 HD21 ASN 1 3.386 -0.776 12.499 26 HD22 ASN 1 HD22 ASN 1 4.056 -2.272 12.995 27 H THR 2 H THR 2 3.637 1.989 11.274 28 HA THR 2 HA THR 2 3.453 0.080 9.111 29 HB THR 2 HB THR 2 1.410 1.462 10.789 30 HG1 THR 2 HG1 THR 2 2.296 -1.230 10.538 31 HG21 THR 2 HG21 THR 2 0.602 1.286 8.485 32 HG22 THR 2 HG22 THR 2 -0.297 0.151 9.497 33 HG23 THR 2 HG23 THR 2 1.025 -0.416 8.450 34 H ILE 3 H ILE 3 3.700 0.911 7.271 35 HA ILE 3 HA ILE 3 2.915 3.646 6.699 36 HB ILE 3 HB ILE 3 5.214 3.880 6.778 37 HG12 ILE 3 HG12 ILE 3 4.684 3.208 3.866 38 HG13 ILE 3 HG13 ILE 3 4.464 4.775 4.637 39 HG21 ILE 3 HG21 ILE 3 5.987 1.743 7.209 40 HG22 ILE 3 HG22 ILE 3 6.872 2.255 5.760 41 HG23 ILE 3 HG23 ILE 3 5.492 1.157 5.634 42 HD11 ILE 3 HD11 ILE 3 6.490 4.703 3.272 43 HD12 ILE 3 HD12 ILE 3 7.111 3.371 4.248 44 HD13 ILE 3 HD13 ILE 3 6.870 4.958 4.973 45 H LEU 4 H LEU 4 1.194 3.472 5.464 46 HA LEU 4 HA LEU 4 0.402 1.225 4.045 47 HB2 LEU 4 HB2 LEU 4 -0.459 4.075 3.574 48 HB3 LEU 4 HB3 LEU 4 -1.293 2.621 3.080 49 HG LEU 4 HG LEU 4 -0.949 3.652 5.891 50 HD11 LEU 4 HD11 LEU 4 -3.367 3.817 5.882 51 HD12 LEU 4 HD12 LEU 4 -3.402 3.265 4.208 52 HD13 LEU 4 HD13 LEU 4 -2.645 4.802 4.609 53 HD21 LEU 4 HD21 LEU 4 -2.214 1.064 4.974 54 HD22 LEU 4 HD22 LEU 4 -2.308 1.736 6.603 55 HD23 LEU 4 HD23 LEU 4 -0.744 1.257 5.938 56 H GLY 5 H GLY 5 1.308 0.389 2.353 57 HA2 GLY 5 HA2 GLY 5 1.657 0.685 -0.044 58 HA3 GLY 5 HA3 GLY 5 2.482 2.190 0.347 59 H ASP 6 H ASP 6 3.681 0.758 2.810 60 HA ASP 6 HA ASP 6 5.666 -0.712 1.298 61 HB2 ASP 6 HB2 ASP 6 6.601 1.368 2.056 62 HB3 ASP 6 HB3 ASP 6 6.033 1.075 3.693 63 H LEU 7 H LEU 7 4.857 -2.550 1.501 64 HA LEU 7 HA LEU 7 3.701 -3.668 3.854 65 HB2 LEU 7 HB2 LEU 7 4.209 -4.670 1.085 66 HB3 LEU 7 HB3 LEU 7 3.555 -5.698 2.331 67 HG LEU 7 HG LEU 7 1.550 -4.209 2.458 68 HD11 LEU 7 HD11 LEU 7 2.705 -2.853 0.039 69 HD12 LEU 7 HD12 LEU 7 2.568 -2.124 1.638 70 HD13 LEU 7 HD13 LEU 7 1.113 -2.583 0.748 71 HD21 LEU 7 HD21 LEU 7 0.621 -4.882 0.344 72 HD22 LEU 7 HD22 LEU 7 1.561 -6.182 1.097 73 HD23 LEU 7 HD23 LEU 7 2.234 -5.262 -0.245 74 H ASN 8 H ASN 8 6.689 -4.023 2.030 75 HA ASN 8 HA ASN 8 7.513 -6.262 3.725 76 HB2 ASN 8 HB2 ASN 8 9.437 -6.534 2.300 77 HB3 ASN 8 HB3 ASN 8 8.031 -6.345 1.272 78 HD21 ASN 8 HD21 ASN 8 10.713 -5.974 0.567 79 HD22 ASN 8 HD22 ASN 8 10.951 -4.311 0.140 80 H ASP 9 H ASP 9 7.552 -3.043 4.012 81 HA ASP 9 HA ASP 9 8.441 -1.616 5.426 82 HB2 ASP 9 HB2 ASP 9 7.866 -3.225 7.174 83 HB3 ASP 9 HB3 ASP 9 9.360 -4.095 6.843 84 H ASP 10 H ASP 10 9.697 -1.286 3.469 85 HA ASP 10 HA ASP 10 12.511 -1.327 4.210 86 HB2 ASP 10 HB2 ASP 10 13.276 -1.642 1.895 87 HB3 ASP 10 HB3 ASP 10 12.194 -2.934 2.410 88 H GLY 11 H GLY 11 9.954 0.537 3.819 89 HA2 GLY 11 HA2 GLY 11 9.994 2.802 4.308 90 HA3 GLY 11 HA3 GLY 11 11.664 2.882 3.775 91 H VAL 12 H VAL 12 10.009 1.316 1.393 92 HA VAL 12 HA VAL 12 9.158 3.778 0.106 93 HB VAL 12 HB VAL 12 11.530 3.727 -0.329 94 HG11 VAL 12 HG11 VAL 12 12.664 1.889 -1.491 95 HG12 VAL 12 HG12 VAL 12 11.169 0.938 -1.416 96 HG13 VAL 12 HG13 VAL 12 11.971 1.438 0.071 97 HG21 VAL 12 HG21 VAL 12 11.578 3.712 -2.799 98 HG22 VAL 12 HG22 VAL 12 10.145 4.530 -2.174 99 HG23 VAL 12 HG23 VAL 12 10.014 2.892 -2.805 100 H VAL 13 H VAL 13 7.656 3.483 -1.536 101 HA VAL 13 HA VAL 13 6.429 0.952 -1.740 102 HB VAL 13 HB VAL 13 4.936 2.123 -3.403 103 HG11 VAL 13 HG11 VAL 13 4.334 2.052 -1.065 104 HG12 VAL 13 HG12 VAL 13 3.916 3.648 -1.693 105 HG13 VAL 13 HG13 VAL 13 5.368 3.427 -0.722 106 HG21 VAL 13 HG21 VAL 13 5.102 4.583 -3.613 107 HG22 VAL 13 HG22 VAL 13 6.512 3.782 -4.280 108 HG23 VAL 13 HG23 VAL 13 6.610 4.554 -2.698 109 H ASN 14 H ASN 14 7.508 -0.578 -2.714 110 HA ASN 14 HA ASN 14 8.507 -0.075 -5.397 111 HB2 ASN 14 HB2 ASN 14 10.466 -1.502 -5.004 112 HB3 ASN 14 HB3 ASN 14 10.478 -0.079 -4.003 113 HD21 ASN 14 HD21 ASN 14 12.080 -2.143 -3.546 114 HD22 ASN 14 HD22 ASN 14 11.628 -2.782 -2.002 115 H GLY 15 H GLY 15 9.139 -2.217 -6.465 116 HA2 GLY 15 HA2 GLY 15 6.780 -3.652 -6.978 117 HA3 GLY 15 HA3 GLY 15 8.344 -4.159 -7.498 118 H ARG 16 H ARG 16 9.218 -4.220 -4.624 119 HA ARG 16 HA ARG 16 8.803 -6.955 -4.046 120 HB2 ARG 16 HB2 ARG 16 9.612 -4.726 -2.206 121 HB3 ARG 16 HB3 ARG 16 9.741 -6.430 -1.820 122 HG2 ARG 16 HG2 ARG 16 11.157 -5.108 -4.104 123 HG3 ARG 16 HG3 ARG 16 11.876 -5.321 -2.509 124 HD2 ARG 16 HD2 ARG 16 11.576 -7.764 -2.753 125 HD3 ARG 16 HD3 ARG 16 10.926 -7.503 -4.368 126 HE ARG 16 HE ARG 16 13.460 -6.284 -4.035 127 HH11 ARG 16 HH11 ARG 16 11.944 -9.414 -4.690 128 HH12 ARG 16 HH12 ARG 16 13.302 -10.082 -5.452 129 HH21 ARG 16 HH21 ARG 16 15.354 -7.193 -5.094 130 HH22 ARG 16 HH22 ARG 16 15.284 -8.784 -5.688 131 H ASP 17 H ASP 17 7.104 -4.016 -3.095 132 HA ASP 17 HA ASP 17 5.632 -5.147 -0.961 133 HB2 ASP 17 HB2 ASP 17 5.053 -2.726 -2.663 134 HB3 ASP 17 HB3 ASP 17 4.207 -3.156 -1.191 135 H ILE 18 H ILE 18 5.060 -4.596 -4.379 136 HA ILE 18 HA ILE 18 2.499 -5.466 -4.723 137 HB ILE 18 HB ILE 18 4.956 -5.730 -6.458 138 HG12 ILE 18 HG12 ILE 18 3.807 -4.178 -7.925 139 HG13 ILE 18 HG13 ILE 18 2.402 -4.194 -6.830 140 HG21 ILE 18 HG21 ILE 18 3.685 -7.685 -7.050 141 HG22 ILE 18 HG22 ILE 18 3.572 -6.497 -8.360 142 HG23 ILE 18 HG23 ILE 18 2.230 -6.719 -7.236 143 HD11 ILE 18 HD11 ILE 18 3.703 -2.192 -6.631 144 HD12 ILE 18 HD12 ILE 18 5.135 -3.150 -6.213 145 HD13 ILE 18 HD13 ILE 18 3.743 -3.143 -5.149 146 H VAL 19 H VAL 19 5.391 -7.389 -4.450 147 HA VAL 19 HA VAL 19 4.229 -9.930 -4.934 148 HB VAL 19 HB VAL 19 6.564 -9.526 -3.082 149 HG11 VAL 19 HG11 VAL 19 7.347 -11.643 -4.081 150 HG12 VAL 19 HG12 VAL 19 5.886 -11.697 -5.056 151 HG13 VAL 19 HG13 VAL 19 5.772 -11.794 -3.299 152 HG21 VAL 19 HG21 VAL 19 6.632 -9.383 -6.095 153 HG22 VAL 19 HG22 VAL 19 8.055 -9.519 -5.052 154 HG23 VAL 19 HG23 VAL 19 7.022 -8.096 -4.948 155 H MET 20 H MET 20 4.987 -8.230 -1.959 156 HA MET 20 HA MET 20 4.076 -10.113 -0.060 157 HB2 MET 20 HB2 MET 20 3.900 -7.114 0.269 158 HB3 MET 20 HB3 MET 20 4.059 -8.357 1.505 159 HG2 MET 20 HG2 MET 20 6.161 -7.781 -0.551 160 HG3 MET 20 HG3 MET 20 6.122 -7.004 1.010 161 HE1 MET 20 HE1 MET 20 6.853 -8.091 3.236 162 HE2 MET 20 HE2 MET 20 6.921 -9.828 3.506 163 HE3 MET 20 HE3 MET 20 5.386 -9.051 3.118 164 H MET 21 H MET 21 2.467 -7.431 -1.629 165 HA MET 21 HA MET 21 -0.084 -7.352 -0.542 166 HB2 MET 21 HB2 MET 21 0.911 -5.788 -2.202 167 HB3 MET 21 HB3 MET 21 0.802 -7.058 -3.400 168 HG2 MET 21 HG2 MET 21 -0.916 -5.710 -3.965 169 HG3 MET 21 HG3 MET 21 -1.796 -6.862 -2.987 170 HE1 MET 21 HE1 MET 21 -1.173 -5.792 0.017 171 HE2 MET 21 HE2 MET 21 -2.819 -6.141 -0.536 172 HE3 MET 21 HE3 MET 21 -2.426 -4.577 0.201 173 H ARG 22 H ARG 22 1.049 -8.999 -3.409 174 HA ARG 22 HA ARG 22 -1.271 -10.393 -4.051 175 HB2 ARG 22 HB2 ARG 22 1.593 -10.694 -4.789 176 HB3 ARG 22 HB3 ARG 22 0.352 -11.768 -5.443 177 HG2 ARG 22 HG2 ARG 22 -0.732 -9.843 -6.469 178 HG3 ARG 22 HG3 ARG 22 0.466 -8.770 -5.732 179 HD2 ARG 22 HD2 ARG 22 2.244 -9.867 -6.948 180 HD3 ARG 22 HD3 ARG 22 1.102 -11.032 -7.607 181 HE ARG 22 HE ARG 22 0.436 -8.341 -8.254 182 HH11 ARG 22 HH11 ARG 22 2.448 -11.085 -9.173 183 HH12 ARG 22 HH12 ARG 22 2.610 -10.606 -10.807 184 HH21 ARG 22 HH21 ARG 22 0.641 -7.676 -10.434 185 HH22 ARG 22 HH22 ARG 22 1.544 -8.586 -11.560 186 H GLN 23 H GLN 23 1.522 -11.334 -2.056 187 HA GLN 23 HA GLN 23 1.044 -14.071 -1.819 188 HB2 GLN 23 HB2 GLN 23 1.986 -12.203 0.320 189 HB3 GLN 23 HB3 GLN 23 2.201 -13.938 0.322 190 HG2 GLN 23 HG2 GLN 23 3.451 -11.987 -1.580 191 HG3 GLN 23 HG3 GLN 23 4.221 -12.702 -0.191 192 HE21 GLN 23 HE21 GLN 23 5.806 -13.660 -1.322 193 HE22 GLN 23 HE22 GLN 23 5.558 -15.019 -2.364 194 H TYR 24 H TYR 24 0.067 -11.436 0.349 195 HA TYR 24 HA TYR 24 -1.444 -13.064 2.066 196 HB2 TYR 24 HB2 TYR 24 -0.454 -10.867 2.576 197 HB3 TYR 24 HB3 TYR 24 -1.667 -10.080 1.629 198 HD1 TYR 24 HD1 TYR 24 -0.990 -11.731 4.796 199 HD2 TYR 24 HD2 TYR 24 -4.039 -10.128 2.319 200 HE1 TYR 24 HE1 TYR 24 -2.534 -11.722 6.704 201 HE2 TYR 24 HE2 TYR 24 -5.572 -10.098 4.172 202 HH TYR 24 HH TYR 24 -5.794 -11.438 6.359 203 H LEU 25 H LEU 25 -2.293 -11.001 -0.544 204 HA LEU 25 HA LEU 25 -5.094 -11.325 -0.609 205 HB2 LEU 25 HB2 LEU 25 -3.219 -10.956 -2.941 206 HB3 LEU 25 HB3 LEU 25 -4.960 -10.943 -3.099 207 HG LEU 25 HG LEU 25 -3.355 -8.974 -1.469 208 HD11 LEU 25 HD11 LEU 25 -4.692 -8.677 -4.155 209 HD12 LEU 25 HD12 LEU 25 -2.952 -8.718 -3.862 210 HD13 LEU 25 HD13 LEU 25 -3.926 -7.385 -3.236 211 HD21 LEU 25 HD21 LEU 25 -6.281 -9.016 -2.216 212 HD22 LEU 25 HD22 LEU 25 -5.447 -7.684 -1.429 213 HD23 LEU 25 HD23 LEU 25 -5.615 -9.227 -0.589 214 H ALA 26 H ALA 26 -2.619 -13.402 -1.997 215 HA ALA 26 HA ALA 26 -4.427 -15.245 -3.204 216 HB1 ALA 26 HB1 ALA 26 -1.559 -15.692 -2.383 217 HB2 ALA 26 HB2 ALA 26 -2.077 -15.001 -3.920 218 HB3 ALA 26 HB3 ALA 26 -2.487 -16.671 -3.525 219 H GLY 27 H GLY 27 -3.207 -14.846 -0.012 220 HA2 GLY 27 HA2 GLY 27 -4.578 -15.825 1.734 221 HA3 GLY 27 HA3 GLY 27 -4.605 -17.269 0.728 222 H LYS 28 H LYS 28 -1.585 -15.728 0.769 223 HA LYS 28 HA LYS 28 -0.521 -17.939 2.297 224 HB2 LYS 28 HB2 LYS 28 1.103 -15.760 0.930 225 HB3 LYS 28 HB3 LYS 28 1.610 -17.328 1.468 226 HG2 LYS 28 HG2 LYS 28 0.277 -18.440 -0.198 227 HG3 LYS 28 HG3 LYS 28 -0.394 -16.882 -0.703 228 HD2 LYS 28 HD2 LYS 28 1.328 -17.578 -2.258 229 HD3 LYS 28 HD3 LYS 28 1.844 -16.155 -1.361 230 HE2 LYS 28 HE2 LYS 28 3.201 -17.528 0.094 231 HE3 LYS 28 HE3 LYS 28 2.657 -18.985 -0.731 232 HZ1 LYS 28 HZ1 LYS 28 4.828 -18.251 -1.493 233 HZ2 LYS 28 HZ2 LYS 28 4.190 -16.772 -1.991 234 HZ3 LYS 28 HZ3 LYS 28 3.707 -18.199 -2.742 235 H THR 29 H THR 29 0.864 -17.669 4.002 236 HA THR 29 HA THR 29 0.358 -15.352 5.672 237 HB THR 29 HB THR 29 1.904 -17.895 6.302 238 HG1 THR 29 HG1 THR 29 -0.080 -18.543 7.296 239 HG21 THR 29 HG21 THR 29 1.392 -17.312 8.641 240 HG22 THR 29 HG22 THR 29 0.542 -15.866 8.098 241 HG23 THR 29 HG23 THR 29 2.282 -16.009 7.850 242 H VAL 30 H VAL 30 1.770 -13.694 5.332 243 HA VAL 30 HA VAL 30 4.313 -14.326 4.094 244 HB VAL 30 HB VAL 30 3.403 -11.542 4.576 245 HG11 VAL 30 HG11 VAL 30 4.427 -11.151 2.382 246 HG12 VAL 30 HG12 VAL 30 4.702 -12.874 2.226 247 HG13 VAL 30 HG13 VAL 30 5.541 -11.964 3.490 248 HG21 VAL 30 HG21 VAL 30 2.021 -11.530 2.527 249 HG22 VAL 30 HG22 VAL 30 1.334 -12.543 3.797 250 HG23 VAL 30 HG23 VAL 30 2.175 -13.285 2.439 251 H SER 31 H SER 31 5.915 -14.613 5.482 252 HA SER 31 HA SER 31 5.900 -13.522 8.125 253 HB2 SER 31 HB2 SER 31 6.834 -15.775 7.573 254 HB3 SER 31 HB3 SER 31 8.096 -14.989 6.626 255 HG SER 31 HG SER 31 9.085 -15.123 8.453 256 H GLY 32 H GLY 32 6.450 -11.479 8.518 257 HA2 GLY 32 HA2 GLY 32 8.065 -9.769 8.661 258 HA3 GLY 32 HA3 GLY 32 8.796 -10.367 7.175 259 H ILE 33 H ILE 33 5.352 -9.820 7.570 260 HA ILE 33 HA ILE 33 5.583 -7.624 5.659 261 HB ILE 33 HB ILE 33 4.285 -9.768 4.976 262 HG12 ILE 33 HG12 ILE 33 2.658 -7.225 5.044 263 HG13 ILE 33 HG13 ILE 33 3.978 -7.482 3.940 264 HG21 ILE 33 HG21 ILE 33 2.004 -10.028 5.823 265 HG22 ILE 33 HG22 ILE 33 2.290 -8.752 6.996 266 HG23 ILE 33 HG23 ILE 33 3.204 -10.259 7.097 267 HD11 ILE 33 HD11 ILE 33 2.786 -9.478 3.019 268 HD12 ILE 33 HD12 ILE 33 1.880 -7.995 2.788 269 HD13 ILE 33 HD13 ILE 33 1.423 -9.119 4.067 270 H ASP 34 H ASP 34 4.415 -5.728 6.165 271 HA ASP 34 HA ASP 34 3.328 -5.688 8.895 272 HB2 ASP 34 HB2 ASP 34 4.668 -3.609 7.993 273 HB3 ASP 34 HB3 ASP 34 3.282 -3.368 6.968 274 H LYS 35 H LYS 35 1.447 -6.616 8.899 275 HA LYS 35 HA LYS 35 -0.053 -7.054 6.595 276 HB2 LYS 35 HB2 LYS 35 0.018 -8.483 8.639 277 HB3 LYS 35 HB3 LYS 35 -1.031 -7.300 9.415 278 HG2 LYS 35 HG2 LYS 35 -2.706 -7.722 7.606 279 HG3 LYS 35 HG3 LYS 35 -1.652 -8.985 7.007 280 HD2 LYS 35 HD2 LYS 35 -3.399 -9.951 8.395 281 HD3 LYS 35 HD3 LYS 35 -1.815 -10.191 9.124 282 HE2 LYS 35 HE2 LYS 35 -2.220 -8.336 10.664 283 HE3 LYS 35 HE3 LYS 35 -3.768 -8.019 9.878 284 HZ1 LYS 35 HZ1 LYS 35 -4.525 -10.182 10.618 285 HZ2 LYS 35 HZ2 LYS 35 -4.016 -9.271 11.926 286 HZ3 LYS 35 HZ3 LYS 35 -3.032 -10.497 11.331 287 H ASN 36 H ASN 36 0.032 -4.279 8.604 288 HA ASN 36 HA ASN 36 -2.721 -3.508 8.200 289 HB2 ASN 36 HB2 ASN 36 -0.448 -1.958 9.412 290 HB3 ASN 36 HB3 ASN 36 -2.164 -1.634 9.575 291 HD21 ASN 36 HD21 ASN 36 0.522 -3.434 10.607 292 HD22 ASN 36 HD22 ASN 36 -0.224 -4.218 11.972 293 H ALA 37 H ALA 37 0.438 -3.160 6.813 294 HA ALA 37 HA ALA 37 0.012 -0.562 5.663 295 HB1 ALA 37 HB1 ALA 37 2.185 -0.878 4.658 296 HB2 ALA 37 HB2 ALA 37 2.179 -2.578 5.138 297 HB3 ALA 37 HB3 ALA 37 2.218 -1.307 6.366 298 H LEU 38 H LEU 38 -0.996 -3.576 4.955 299 HA LEU 38 HA LEU 38 -0.939 -3.489 2.105 300 HB2 LEU 38 HB2 LEU 38 -2.463 -5.228 4.031 301 HB3 LEU 38 HB3 LEU 38 -2.684 -5.326 2.303 302 HG LEU 38 HG LEU 38 -0.267 -5.936 2.099 303 HD11 LEU 38 HD11 LEU 38 -0.508 -6.068 5.024 304 HD12 LEU 38 HD12 LEU 38 0.575 -5.045 4.080 305 HD13 LEU 38 HD13 LEU 38 0.784 -6.810 4.084 306 HD21 LEU 38 HD21 LEU 38 -1.972 -7.619 2.017 307 HD22 LEU 38 HD22 LEU 38 -2.004 -7.679 3.782 308 HD23 LEU 38 HD23 LEU 38 -0.564 -8.203 2.913 309 H ASP 39 H ASP 39 -3.089 -2.375 4.598 310 HA ASP 39 HA ASP 39 -5.184 -1.947 2.654 311 HB2 ASP 39 HB2 ASP 39 -5.868 -2.752 4.823 312 HB3 ASP 39 HB3 ASP 39 -5.095 -1.382 5.613 313 H ILE 40 H ILE 40 -4.024 -0.696 1.419 314 HA ILE 40 HA ILE 40 -2.798 1.741 2.207 315 HB ILE 40 HB ILE 40 -3.351 0.652 -0.570 316 HG12 ILE 40 HG12 ILE 40 -0.868 0.522 1.087 317 HG13 ILE 40 HG13 ILE 40 -2.047 -0.769 1.096 318 HG21 ILE 40 HG21 ILE 40 -1.353 2.726 0.411 319 HG22 ILE 40 HG22 ILE 40 -2.812 3.076 -0.517 320 HG23 ILE 40 HG23 ILE 40 -1.507 2.139 -1.250 321 HD11 ILE 40 HD11 ILE 40 -0.208 -1.291 -0.365 322 HD12 ILE 40 HD12 ILE 40 -0.506 0.181 -1.305 323 HD13 ILE 40 HD13 ILE 40 -1.704 -1.119 -1.267 324 H ASN 41 H ASN 41 -5.861 0.889 0.720 325 HA ASN 41 HA ASN 41 -6.431 3.667 0.168 326 HB2 ASN 41 HB2 ASN 41 -8.470 2.970 -0.854 327 HB3 ASN 41 HB3 ASN 41 -7.302 1.726 -1.259 328 HD21 ASN 41 HD21 ASN 41 -10.110 1.544 -1.278 329 HD22 ASN 41 HD22 ASN 41 -10.578 0.308 -0.156 330 H GLY 42 H GLY 42 -6.533 1.730 2.840 331 HA2 GLY 42 HA2 GLY 42 -7.262 2.091 4.978 332 HA3 GLY 42 HA3 GLY 42 -7.697 3.716 4.487 333 H ASP 43 H ASP 43 -8.903 0.401 3.894 334 HA ASP 43 HA ASP 43 -11.566 1.467 4.556 335 HB2 ASP 43 HB2 ASP 43 -12.654 -0.305 3.151 336 HB3 ASP 43 HB3 ASP 43 -11.680 0.813 2.217 337 H GLY 44 H GLY 44 -9.173 -0.595 5.539 338 HA2 GLY 44 HA2 GLY 44 -9.311 -1.501 7.742 339 HA3 GLY 44 HA3 GLY 44 -11.030 -1.739 7.479 340 H ALA 45 H ALA 45 -9.958 -2.752 4.667 341 HA ALA 45 HA ALA 45 -9.267 -5.444 5.608 342 HB1 ALA 45 HB1 ALA 45 -11.224 -4.752 3.429 343 HB2 ALA 45 HB2 ALA 45 -11.642 -5.346 5.036 344 HB3 ALA 45 HB3 ALA 45 -10.758 -6.383 3.915 345 H VAL 46 H VAL 46 -8.135 -6.745 3.999 346 HA VAL 46 HA VAL 46 -6.460 -5.145 2.317 347 HB VAL 46 HB VAL 46 -6.291 -8.043 3.187 348 HG11 VAL 46 HG11 VAL 46 -5.258 -7.663 1.085 349 HG12 VAL 46 HG12 VAL 46 -4.012 -7.886 2.340 350 HG13 VAL 46 HG13 VAL 46 -4.411 -6.255 1.736 351 HG21 VAL 46 HG21 VAL 46 -5.977 -6.511 5.066 352 HG22 VAL 46 HG22 VAL 46 -4.761 -5.622 4.151 353 HG23 VAL 46 HG23 VAL 46 -4.454 -7.289 4.636 354 H ASN 47 H ASN 47 -7.271 -4.880 0.389 355 HA ASN 47 HA ASN 47 -8.413 -7.136 -1.000 356 HB2 ASN 47 HB2 ASN 47 -10.269 -5.524 -1.838 357 HB3 ASN 47 HB3 ASN 47 -10.439 -6.278 -0.259 358 HD21 ASN 47 HD21 ASN 47 -11.629 -4.815 0.710 359 HD22 ASN 47 HD22 ASN 47 -11.198 -3.171 1.005 360 H GLY 48 H GLY 48 -9.081 -6.339 -3.346 361 HA2 GLY 48 HA2 GLY 48 -6.594 -5.831 -4.573 362 HA3 GLY 48 HA3 GLY 48 -8.104 -5.969 -5.438 363 H ARG 49 H ARG 49 -8.989 -3.782 -3.448 364 HA ARG 49 HA ARG 49 -8.649 -1.490 -5.092 365 HB2 ARG 49 HB2 ARG 49 -9.227 -1.563 -2.130 366 HB3 ARG 49 HB3 ARG 49 -9.548 -0.228 -3.213 367 HG2 ARG 49 HG2 ARG 49 -10.845 -2.925 -3.302 368 HG3 ARG 49 HG3 ARG 49 -11.541 -1.455 -2.636 369 HD2 ARG 49 HD2 ARG 49 -11.418 -0.404 -4.852 370 HD3 ARG 49 HD3 ARG 49 -10.720 -1.885 -5.505 371 HE ARG 49 HE ARG 49 -13.302 -2.066 -4.196 372 HH11 ARG 49 HH11 ARG 49 -11.526 -1.951 -7.269 373 HH12 ARG 49 HH12 ARG 49 -12.772 -2.653 -8.179 374 HH21 ARG 49 HH21 ARG 49 -15.032 -2.970 -5.466 375 HH22 ARG 49 HH22 ARG 49 -14.849 -3.222 -7.134 376 H ASP 50 H ASP 50 -7.074 -2.696 -2.206 377 HA ASP 50 HA ASP 50 -5.272 -0.551 -1.778 378 HB2 ASP 50 HB2 ASP 50 -4.967 -3.441 -1.013 379 HB3 ASP 50 HB3 ASP 50 -4.103 -2.057 -0.355 380 H LEU 51 H LEU 51 -5.181 -3.589 -3.431 381 HA LEU 51 HA LEU 51 -2.523 -3.664 -4.260 382 HB2 LEU 51 HB2 LEU 51 -3.900 -5.588 -4.481 383 HB3 LEU 51 HB3 LEU 51 -5.059 -4.717 -5.455 384 HG LEU 51 HG LEU 51 -3.517 -4.720 -7.342 385 HD11 LEU 51 HD11 LEU 51 -1.707 -6.421 -5.630 386 HD12 LEU 51 HD12 LEU 51 -1.388 -4.727 -6.018 387 HD13 LEU 51 HD13 LEU 51 -1.435 -5.938 -7.302 388 HD21 LEU 51 HD21 LEU 51 -3.638 -7.093 -7.815 389 HD22 LEU 51 HD22 LEU 51 -5.096 -6.552 -6.973 390 HD23 LEU 51 HD23 LEU 51 -3.827 -7.413 -6.091 391 H MET 52 H MET 52 -5.360 -2.271 -5.830 392 HA MET 52 HA MET 52 -4.012 -1.215 -8.087 393 HB2 MET 52 HB2 MET 52 -6.592 -0.330 -6.788 394 HB3 MET 52 HB3 MET 52 -6.004 0.279 -8.328 395 HG2 MET 52 HG2 MET 52 -6.145 -1.939 -9.287 396 HG3 MET 52 HG3 MET 52 -6.660 -2.589 -7.732 397 HE1 MET 52 HE1 MET 52 -8.760 -3.720 -8.889 398 HE2 MET 52 HE2 MET 52 -8.243 -3.071 -10.447 399 HE3 MET 52 HE3 MET 52 -9.906 -2.841 -9.903 400 H GLU 53 H GLU 53 -4.667 0.088 -4.904 401 HA GLU 53 HA GLU 53 -3.629 2.674 -5.318 402 HB2 GLU 53 HB2 GLU 53 -3.855 1.003 -2.837 403 HB3 GLU 53 HB3 GLU 53 -3.262 2.647 -2.826 404 HG2 GLU 53 HG2 GLU 53 -5.984 1.796 -3.769 405 HG3 GLU 53 HG3 GLU 53 -5.631 2.486 -2.190 406 H LEU 54 H LEU 54 -2.156 -0.338 -4.226 407 HA LEU 54 HA LEU 54 0.376 0.659 -3.695 408 HB2 LEU 54 HB2 LEU 54 -0.526 -1.591 -3.109 409 HB3 LEU 54 HB3 LEU 54 -0.300 -2.055 -4.769 410 HG LEU 54 HG LEU 54 2.093 -1.853 -4.603 411 HD11 LEU 54 HD11 LEU 54 3.162 -1.323 -2.443 412 HD12 LEU 54 HD12 LEU 54 1.570 -0.923 -1.782 413 HD13 LEU 54 HD13 LEU 54 2.245 0.038 -3.088 414 HD21 LEU 54 HD21 LEU 54 0.919 -3.347 -2.270 415 HD22 LEU 54 HD22 LEU 54 2.517 -3.610 -2.972 416 HD23 LEU 54 HD23 LEU 54 1.066 -3.937 -3.921 417 H ILE 55 H ILE 55 -0.952 -0.756 -6.600 418 HA ILE 55 HA ILE 55 1.246 -0.431 -8.346 419 HB ILE 55 HB ILE 55 -1.721 -0.258 -9.006 420 HG12 ILE 55 HG12 ILE 55 0.159 -2.643 -9.190 421 HG13 ILE 55 HG13 ILE 55 -0.983 -2.358 -7.888 422 HG21 ILE 55 HG21 ILE 55 -0.362 0.681 -10.821 423 HG22 ILE 55 HG22 ILE 55 -1.080 -0.850 -11.313 424 HG23 ILE 55 HG23 ILE 55 0.622 -0.782 -10.852 425 HD11 ILE 55 HD11 ILE 55 -1.711 -2.807 -10.780 426 HD12 ILE 55 HD12 ILE 55 -2.841 -2.574 -9.439 427 HD13 ILE 55 HD13 ILE 55 -1.822 -3.997 -9.482 428 H LYS 56 H LYS 56 -1.381 1.782 -7.603 429 HA LYS 56 HA LYS 56 -0.677 4.056 -9.046 430 HB2 LYS 56 HB2 LYS 56 -2.737 4.039 -7.962 431 HB3 LYS 56 HB3 LYS 56 -2.022 3.500 -6.461 432 HG2 LYS 56 HG2 LYS 56 -1.111 5.760 -6.117 433 HG3 LYS 56 HG3 LYS 56 -1.939 6.292 -7.595 434 HD2 LYS 56 HD2 LYS 56 -4.073 5.723 -6.682 435 HD3 LYS 56 HD3 LYS 56 -3.330 4.953 -5.288 436 HE2 LYS 56 HE2 LYS 56 -2.499 7.128 -4.536 437 HE3 LYS 56 HE3 LYS 56 -3.247 7.895 -5.940 438 HZ1 LYS 56 HZ1 LYS 56 -5.395 7.208 -5.165 439 HZ2 LYS 56 HZ2 LYS 56 -4.657 8.019 -3.895 440 HZ3 LYS 56 HZ3 LYS 56 -4.740 6.328 -3.907 441 H LYS 57 H LYS 57 0.436 3.055 -5.833 442 HA LYS 57 HA LYS 57 2.074 5.299 -5.290 443 HB2 LYS 57 HB2 LYS 57 2.278 2.486 -4.223 444 HB3 LYS 57 HB3 LYS 57 3.092 3.882 -3.550 445 HG2 LYS 57 HG2 LYS 57 0.122 3.346 -3.596 446 HG3 LYS 57 HG3 LYS 57 1.187 3.273 -2.198 447 HD2 LYS 57 HD2 LYS 57 0.486 5.750 -3.787 448 HD3 LYS 57 HD3 LYS 57 -0.152 5.311 -2.210 449 HE2 LYS 57 HE2 LYS 57 2.092 5.427 -1.244 450 HE3 LYS 57 HE3 LYS 57 2.751 5.864 -2.816 451 HZ1 LYS 57 HZ1 LYS 57 1.354 7.885 -2.758 452 HZ2 LYS 57 HZ2 LYS 57 2.457 7.840 -1.503 453 HZ3 LYS 57 HZ3 LYS 57 0.843 7.479 -1.209 454 H VAL 58 H VAL 58 2.909 2.022 -6.332 455 HA VAL 58 HA VAL 58 5.657 2.571 -6.574 456 HB VAL 58 HB VAL 58 3.983 0.311 -7.602 457 HG11 VAL 58 HG11 VAL 58 6.112 -1.001 -7.635 458 HG12 VAL 58 HG12 VAL 58 7.001 0.458 -7.194 459 HG13 VAL 58 HG13 VAL 58 6.177 0.367 -8.747 460 HG21 VAL 58 HG21 VAL 58 5.556 0.663 -5.061 461 HG22 VAL 58 HG22 VAL 58 4.812 -0.851 -5.552 462 HG23 VAL 58 HG23 VAL 58 3.805 0.567 -5.230 463 H SER 59 H SER 59 3.021 2.699 -8.891 464 HA SER 59 HA SER 59 4.736 2.821 -11.156 465 HB2 SER 59 HB2 SER 59 2.309 2.192 -11.316 466 HB3 SER 59 HB3 SER 59 1.887 3.859 -10.945 467 HG SER 59 HG SER 59 3.658 3.499 -13.032 468 H ASN 60 H ASN 60 3.366 5.157 -8.924 469 HA ASN 60 HA ASN 60 4.121 7.462 -10.372 470 HB2 ASN 60 HB2 ASN 60 2.359 7.318 -8.532 471 HB3 ASN 60 HB3 ASN 60 3.694 7.262 -7.387 472 HD21 ASN 60 HD21 ASN 60 3.534 9.102 -10.329 473 HD22 ASN 60 HD22 ASN 60 3.576 10.661 -9.604 474 H ASN 61 H ASN 61 5.504 5.635 -7.696 475 HA ASN 61 HA ASN 61 7.882 7.159 -7.412 476 HB2 ASN 61 HB2 ASN 61 7.119 5.712 -5.609 477 HB3 ASN 61 HB3 ASN 61 7.226 4.297 -6.647 478 HD21 ASN 61 HD21 ASN 61 9.159 3.219 -6.795 479 HD22 ASN 61 HD22 ASN 61 10.565 3.732 -5.964 480 H THR 62 H THR 62 6.966 4.511 -9.430 481 HA THR 62 HA THR 62 7.562 3.880 -11.401 482 HB THR 62 HB THR 62 9.951 5.770 -11.369 483 HG1 THR 62 HG1 THR 62 7.422 6.334 -11.235 484 HG21 THR 62 HG21 THR 62 8.397 4.555 -13.673 485 HG22 THR 62 HG22 THR 62 9.998 4.031 -13.162 486 HG23 THR 62 HG23 THR 62 9.769 5.654 -13.816 487 H SER 63 H SER 63 9.949 3.775 -8.896 488 HA SER 63 HA SER 63 11.189 1.422 -10.092 489 HB2 SER 63 HB2 SER 63 11.743 2.866 -7.491 490 HB3 SER 63 HB3 SER 63 12.667 1.487 -8.093 491 HG SER 63 HG SER 63 12.358 3.904 -9.561 Start of MODEL 16 1 H1 GLY -3 H1 GLY -3 0.842 8.341 17.261 2 H2 GLY -3 H2 GLY -3 1.335 8.559 15.649 3 H3 GLY -3 H3 GLY -3 1.027 9.893 16.631 4 HA2 GLY -3 HA3 GLY -3 3.368 9.571 16.363 5 HA3 GLY -3 HA2 GLY -3 2.852 9.402 18.037 6 H SER -2 H SER -2 4.296 8.023 18.838 7 HA SER -2 HA SER -2 5.755 6.098 17.548 8 HB2 SER -2 HB2 SER -2 5.070 6.182 20.471 9 HB3 SER -2 HB3 SER -2 6.545 5.557 19.721 10 HG SER -2 HG SER -2 7.170 7.576 19.210 11 H ALA -1 H ALA -1 2.524 5.741 18.898 12 HA ALA -1 HA ALA -1 2.732 2.878 19.161 13 HB1 ALA -1 HB1 ALA -1 0.402 2.928 19.819 14 HB2 ALA -1 HB2 ALA -1 0.266 4.601 19.288 15 HB3 ALA -1 HB3 ALA -1 1.293 4.197 20.665 16 H SER 0 H SER 0 2.380 4.852 16.537 17 HA SER 0 HA SER 0 1.072 2.714 15.041 18 HB2 SER 0 HB2 SER 0 -0.427 4.628 15.162 19 HB3 SER 0 HB3 SER 0 0.859 5.703 14.625 20 HG SER 0 HG SER 0 0.759 4.899 12.649 21 H ASN 1 H ASN 1 2.932 1.748 14.309 22 HA ASN 1 HA ASN 1 4.686 3.492 12.740 23 HB2 ASN 1 HB2 ASN 1 5.775 2.375 14.746 24 HB3 ASN 1 HB3 ASN 1 5.472 0.826 13.973 25 HD21 ASN 1 HD21 ASN 1 6.661 0.310 12.107 26 HD22 ASN 1 HD22 ASN 1 8.132 1.101 11.673 27 H THR 2 H THR 2 2.749 3.050 11.355 28 HA THR 2 HA THR 2 3.316 0.730 9.663 29 HB THR 2 HB THR 2 0.580 1.928 10.197 30 HG1 THR 2 HG1 THR 2 1.693 -0.593 10.949 31 HG21 THR 2 HG21 THR 2 0.852 1.055 7.911 32 HG22 THR 2 HG22 THR 2 -0.253 0.057 8.854 33 HG23 THR 2 HG23 THR 2 1.406 -0.484 8.570 34 H ILE 3 H ILE 3 3.742 1.256 7.581 35 HA ILE 3 HA ILE 3 2.899 3.883 6.635 36 HB ILE 3 HB ILE 3 5.263 3.992 6.781 37 HG12 ILE 3 HG12 ILE 3 4.631 3.318 3.886 38 HG13 ILE 3 HG13 ILE 3 4.425 4.888 4.648 39 HG21 ILE 3 HG21 ILE 3 6.785 2.289 5.706 40 HG22 ILE 3 HG22 ILE 3 5.345 1.239 5.632 41 HG23 ILE 3 HG23 ILE 3 5.936 1.806 7.170 42 HD11 ILE 3 HD11 ILE 3 6.854 5.060 4.946 43 HD12 ILE 3 HD12 ILE 3 6.426 4.833 3.251 44 HD13 ILE 3 HD13 ILE 3 7.064 3.483 4.185 45 H LEU 4 H LEU 4 1.123 3.531 5.497 46 HA LEU 4 HA LEU 4 0.397 1.180 4.201 47 HB2 LEU 4 HB2 LEU 4 -0.518 3.989 3.614 48 HB3 LEU 4 HB3 LEU 4 -1.339 2.515 3.158 49 HG LEU 4 HG LEU 4 -0.992 3.625 5.929 50 HD11 LEU 4 HD11 LEU 4 -3.405 3.745 5.941 51 HD12 LEU 4 HD12 LEU 4 -3.451 3.149 4.280 52 HD13 LEU 4 HD13 LEU 4 -2.709 4.709 4.639 53 HD21 LEU 4 HD21 LEU 4 -0.749 1.233 6.029 54 HD22 LEU 4 HD22 LEU 4 -2.239 1.013 5.095 55 HD23 LEU 4 HD23 LEU 4 -2.303 1.710 6.717 56 H GLY 5 H GLY 5 1.121 0.305 2.423 57 HA2 GLY 5 HA2 GLY 5 1.504 0.505 0.051 58 HA3 GLY 5 HA3 GLY 5 2.267 2.061 0.361 59 H ASP 6 H ASP 6 3.481 0.688 2.844 60 HA ASP 6 HA ASP 6 5.520 -0.740 1.359 61 HB2 ASP 6 HB2 ASP 6 6.459 1.331 2.058 62 HB3 ASP 6 HB3 ASP 6 5.867 1.136 3.695 63 H LEU 7 H LEU 7 4.687 -2.573 1.557 64 HA LEU 7 HA LEU 7 3.602 -3.720 3.936 65 HB2 LEU 7 HB2 LEU 7 4.058 -4.734 1.157 66 HB3 LEU 7 HB3 LEU 7 3.420 -5.738 2.433 67 HG LEU 7 HG LEU 7 1.433 -4.229 2.576 68 HD11 LEU 7 HD11 LEU 7 2.519 -2.955 0.081 69 HD12 LEU 7 HD12 LEU 7 2.477 -2.182 1.664 70 HD13 LEU 7 HD13 LEU 7 0.970 -2.630 0.859 71 HD21 LEU 7 HD21 LEU 7 0.451 -4.943 0.506 72 HD22 LEU 7 HD22 LEU 7 1.391 -6.237 1.273 73 HD23 LEU 7 HD23 LEU 7 2.043 -5.363 -0.111 74 H ASN 8 H ASN 8 6.550 -4.040 2.045 75 HA ASN 8 HA ASN 8 7.399 -6.268 3.738 76 HB2 ASN 8 HB2 ASN 8 9.321 -6.555 2.320 77 HB3 ASN 8 HB3 ASN 8 7.938 -6.318 1.273 78 HD21 ASN 8 HD21 ASN 8 10.618 -6.006 0.620 79 HD22 ASN 8 HD22 ASN 8 10.917 -4.356 0.207 80 H ASP 9 H ASP 9 7.329 -3.116 4.018 81 HA ASP 9 HA ASP 9 8.097 -1.646 5.491 82 HB2 ASP 9 HB2 ASP 9 7.348 -3.361 7.105 83 HB3 ASP 9 HB3 ASP 9 8.933 -4.113 7.004 84 H ASP 10 H ASP 10 9.543 -1.324 3.645 85 HA ASP 10 HA ASP 10 12.277 -1.393 4.647 86 HB2 ASP 10 HB2 ASP 10 13.241 -1.732 2.401 87 HB3 ASP 10 HB3 ASP 10 12.130 -3.013 2.858 88 H GLY 11 H GLY 11 9.815 0.526 4.095 89 HA2 GLY 11 HA2 GLY 11 9.893 2.783 4.619 90 HA3 GLY 11 HA3 GLY 11 11.592 2.822 4.171 91 H VAL 12 H VAL 12 9.852 1.346 1.744 92 HA VAL 12 HA VAL 12 9.130 3.822 0.434 93 HB VAL 12 HB VAL 12 11.510 3.784 0.038 94 HG11 VAL 12 HG11 VAL 12 12.671 1.965 -1.106 95 HG12 VAL 12 HG12 VAL 12 11.167 1.029 -1.106 96 HG13 VAL 12 HG13 VAL 12 11.928 1.475 0.424 97 HG21 VAL 12 HG21 VAL 12 10.178 4.595 -1.846 98 HG22 VAL 12 HG22 VAL 12 10.059 2.961 -2.487 99 HG23 VAL 12 HG23 VAL 12 11.626 3.772 -2.431 100 H VAL 13 H VAL 13 7.668 3.572 -1.276 101 HA VAL 13 HA VAL 13 6.435 1.049 -1.514 102 HB VAL 13 HB VAL 13 4.949 2.196 -3.159 103 HG11 VAL 13 HG11 VAL 13 4.342 2.181 -0.819 104 HG12 VAL 13 HG12 VAL 13 3.879 3.725 -1.524 105 HG13 VAL 13 HG13 VAL 13 5.330 3.611 -0.525 106 HG21 VAL 13 HG21 VAL 13 6.619 4.647 -2.543 107 HG22 VAL 13 HG22 VAL 13 5.084 4.680 -3.398 108 HG23 VAL 13 HG23 VAL 13 6.471 3.849 -4.106 109 H ASN 14 H ASN 14 7.426 -0.476 -2.513 110 HA ASN 14 HA ASN 14 8.516 0.060 -5.144 111 HB2 ASN 14 HB2 ASN 14 10.341 -1.663 -4.694 112 HB3 ASN 14 HB3 ASN 14 10.518 -0.081 -3.965 113 HD21 ASN 14 HD21 ASN 14 12.028 -1.153 -2.737 114 HD22 ASN 14 HD22 ASN 14 11.592 -1.983 -1.284 115 H GLY 15 H GLY 15 9.166 -2.167 -6.180 116 HA2 GLY 15 HA2 GLY 15 6.663 -3.365 -6.758 117 HA3 GLY 15 HA3 GLY 15 8.158 -3.930 -7.386 118 H ARG 16 H ARG 16 9.129 -4.046 -4.547 119 HA ARG 16 HA ARG 16 8.805 -6.783 -4.005 120 HB2 ARG 16 HB2 ARG 16 9.542 -4.566 -2.120 121 HB3 ARG 16 HB3 ARG 16 9.801 -6.269 -1.813 122 HG2 ARG 16 HG2 ARG 16 11.052 -4.702 -4.035 123 HG3 ARG 16 HG3 ARG 16 11.848 -5.065 -2.499 124 HD2 ARG 16 HD2 ARG 16 11.535 -7.497 -3.052 125 HD3 ARG 16 HD3 ARG 16 10.950 -6.993 -4.638 126 HE ARG 16 HE ARG 16 13.608 -6.329 -3.602 127 HH11 ARG 16 HH11 ARG 16 11.556 -7.431 -6.302 128 HH12 ARG 16 HH12 ARG 16 12.826 -7.545 -7.413 129 HH21 ARG 16 HH21 ARG 16 15.360 -6.515 -5.139 130 HH22 ARG 16 HH22 ARG 16 15.082 -7.031 -6.721 131 H ASP 17 H ASP 17 7.022 -3.919 -3.005 132 HA ASP 17 HA ASP 17 5.604 -5.093 -0.856 133 HB2 ASP 17 HB2 ASP 17 4.984 -2.647 -2.513 134 HB3 ASP 17 HB3 ASP 17 4.155 -3.108 -1.037 135 H ILE 18 H ILE 18 4.930 -4.519 -4.262 136 HA ILE 18 HA ILE 18 2.348 -5.433 -4.502 137 HB ILE 18 HB ILE 18 4.694 -5.664 -6.417 138 HG12 ILE 18 HG12 ILE 18 3.593 -3.972 -7.710 139 HG13 ILE 18 HG13 ILE 18 2.196 -3.979 -6.597 140 HG21 ILE 18 HG21 ILE 18 3.208 -7.516 -6.940 141 HG22 ILE 18 HG22 ILE 18 3.147 -6.303 -8.213 142 HG23 ILE 18 HG23 ILE 18 1.833 -6.425 -7.046 143 HD11 ILE 18 HD11 ILE 18 4.984 -3.008 -6.080 144 HD12 ILE 18 HD12 ILE 18 3.712 -3.099 -4.888 145 HD13 ILE 18 HD13 ILE 18 3.530 -2.032 -6.290 146 H VAL 19 H VAL 19 5.310 -7.255 -4.488 147 HA VAL 19 HA VAL 19 4.330 -9.834 -4.959 148 HB VAL 19 HB VAL 19 6.568 -9.209 -3.028 149 HG11 VAL 19 HG11 VAL 19 6.117 -11.583 -4.826 150 HG12 VAL 19 HG12 VAL 19 5.930 -11.546 -3.076 151 HG13 VAL 19 HG13 VAL 19 7.526 -11.332 -3.798 152 HG21 VAL 19 HG21 VAL 19 8.087 -9.293 -5.004 153 HG22 VAL 19 HG22 VAL 19 7.002 -7.909 -4.948 154 HG23 VAL 19 HG23 VAL 19 6.640 -9.249 -6.036 155 H MET 20 H MET 20 4.939 -8.202 -1.914 156 HA MET 20 HA MET 20 4.052 -10.151 -0.073 157 HB2 MET 20 HB2 MET 20 3.827 -7.165 0.333 158 HB3 MET 20 HB3 MET 20 4.018 -8.431 1.540 159 HG2 MET 20 HG2 MET 20 6.100 -7.773 -0.515 160 HG3 MET 20 HG3 MET 20 6.041 -7.016 1.057 161 HE1 MET 20 HE1 MET 20 6.952 -9.854 3.503 162 HE2 MET 20 HE2 MET 20 5.431 -9.016 3.167 163 HE3 MET 20 HE3 MET 20 6.938 -8.116 3.250 164 H MET 21 H MET 21 2.419 -7.442 -1.582 165 HA MET 21 HA MET 21 -0.118 -7.381 -0.475 166 HB2 MET 21 HB2 MET 21 0.851 -5.806 -2.166 167 HB3 MET 21 HB3 MET 21 0.679 -7.083 -3.354 168 HG2 MET 21 HG2 MET 21 -1.041 -5.697 -3.847 169 HG3 MET 21 HG3 MET 21 -1.880 -6.894 -2.884 170 HE1 MET 21 HE1 MET 21 -2.901 -6.271 -0.430 171 HE2 MET 21 HE2 MET 21 -2.553 -4.715 0.347 172 HE3 MET 21 HE3 MET 21 -1.273 -5.891 0.162 173 H ARG 22 H ARG 22 0.997 -9.075 -3.328 174 HA ARG 22 HA ARG 22 -1.442 -10.356 -3.901 175 HB2 ARG 22 HB2 ARG 22 1.323 -10.958 -4.888 176 HB3 ARG 22 HB3 ARG 22 -0.174 -11.570 -5.583 177 HG2 ARG 22 HG2 ARG 22 -0.846 -9.251 -6.101 178 HG3 ARG 22 HG3 ARG 22 0.698 -8.682 -5.463 179 HD2 ARG 22 HD2 ARG 22 0.873 -8.849 -7.862 180 HD3 ARG 22 HD3 ARG 22 1.842 -10.111 -7.120 181 HE ARG 22 HE ARG 22 -0.745 -11.010 -7.523 182 HH11 ARG 22 HH11 ARG 22 2.168 -10.292 -9.420 183 HH12 ARG 22 HH12 ARG 22 1.911 -11.508 -10.581 184 HH21 ARG 22 HH21 ARG 22 -1.094 -12.714 -9.127 185 HH22 ARG 22 HH22 ARG 22 0.001 -12.933 -10.410 186 H GLN 23 H GLN 23 1.393 -11.340 -2.044 187 HA GLN 23 HA GLN 23 0.897 -14.081 -1.897 188 HB2 GLN 23 HB2 GLN 23 1.921 -12.278 0.247 189 HB3 GLN 23 HB3 GLN 23 2.115 -14.020 0.212 190 HG2 GLN 23 HG2 GLN 23 3.348 -12.013 -1.639 191 HG3 GLN 23 HG3 GLN 23 4.149 -12.836 -0.333 192 HE21 GLN 23 HE21 GLN 23 5.640 -13.867 -1.463 193 HE22 GLN 23 HE22 GLN 23 5.322 -15.118 -2.610 194 H TYR 24 H TYR 24 -0.037 -11.453 0.333 195 HA TYR 24 HA TYR 24 -1.537 -13.084 2.045 196 HB2 TYR 24 HB2 TYR 24 -0.588 -10.888 2.550 197 HB3 TYR 24 HB3 TYR 24 -1.776 -10.106 1.574 198 HD1 TYR 24 HD1 TYR 24 -4.119 -10.030 2.227 199 HD2 TYR 24 HD2 TYR 24 -1.234 -11.861 4.735 200 HE1 TYR 24 HE1 TYR 24 -5.712 -10.001 4.025 201 HE2 TYR 24 HE2 TYR 24 -2.841 -11.849 6.596 202 HH TYR 24 HH TYR 24 -6.132 -11.220 6.057 203 H LEU 25 H LEU 25 -2.373 -11.082 -0.600 204 HA LEU 25 HA LEU 25 -5.180 -11.390 -0.663 205 HB2 LEU 25 HB2 LEU 25 -3.322 -11.086 -3.028 206 HB3 LEU 25 HB3 LEU 25 -5.063 -11.016 -3.142 207 HG LEU 25 HG LEU 25 -3.366 -9.056 -1.584 208 HD11 LEU 25 HD11 LEU 25 -4.642 -8.847 -4.299 209 HD12 LEU 25 HD12 LEU 25 -2.915 -8.821 -3.933 210 HD13 LEU 25 HD13 LEU 25 -3.955 -7.503 -3.398 211 HD21 LEU 25 HD21 LEU 25 -6.296 -8.992 -2.331 212 HD22 LEU 25 HD22 LEU 25 -5.413 -7.689 -1.562 213 HD23 LEU 25 HD23 LEU 25 -5.652 -9.212 -0.700 214 H ALA 26 H ALA 26 -2.694 -13.486 -2.023 215 HA ALA 26 HA ALA 26 -4.494 -15.355 -3.203 216 HB1 ALA 26 HB1 ALA 26 -1.617 -15.728 -2.401 217 HB2 ALA 26 HB2 ALA 26 -2.170 -15.115 -3.962 218 HB3 ALA 26 HB3 ALA 26 -2.528 -16.777 -3.487 219 H GLY 27 H GLY 27 -3.321 -14.881 -0.009 220 HA2 GLY 27 HA2 GLY 27 -4.497 -15.862 1.807 221 HA3 GLY 27 HA3 GLY 27 -4.734 -17.278 0.780 222 H LYS 28 H LYS 28 -1.630 -15.808 0.782 223 HA LYS 28 HA LYS 28 -0.514 -18.147 2.126 224 HB2 LYS 28 HB2 LYS 28 0.992 -15.880 0.796 225 HB3 LYS 28 HB3 LYS 28 1.573 -17.465 1.210 226 HG2 LYS 28 HG2 LYS 28 0.148 -18.470 -0.484 227 HG3 LYS 28 HG3 LYS 28 -0.478 -16.852 -0.864 228 HD2 LYS 28 HD2 LYS 28 1.775 -16.114 -1.419 229 HD3 LYS 28 HD3 LYS 28 2.383 -17.736 -1.098 230 HE2 LYS 28 HE2 LYS 28 1.056 -18.634 -2.871 231 HE3 LYS 28 HE3 LYS 28 0.296 -17.065 -3.162 232 HZ1 LYS 28 HZ1 LYS 28 2.494 -16.208 -3.725 233 HZ2 LYS 28 HZ2 LYS 28 2.034 -17.451 -4.763 234 HZ3 LYS 28 HZ3 LYS 28 3.159 -17.743 -3.552 235 H THR 29 H THR 29 1.027 -17.841 3.799 236 HA THR 29 HA THR 29 0.544 -15.494 5.430 237 HB THR 29 HB THR 29 2.446 -17.798 5.981 238 HG1 THR 29 HG1 THR 29 -0.304 -17.576 6.129 239 HG21 THR 29 HG21 THR 29 2.176 -17.093 8.328 240 HG22 THR 29 HG22 THR 29 1.089 -15.807 7.815 241 HG23 THR 29 HG23 THR 29 2.782 -15.762 7.340 242 H VAL 30 H VAL 30 1.777 -13.760 5.086 243 HA VAL 30 HA VAL 30 4.116 -14.110 3.420 244 HB VAL 30 HB VAL 30 3.153 -11.462 4.371 245 HG11 VAL 30 HG11 VAL 30 5.160 -11.536 3.066 246 HG12 VAL 30 HG12 VAL 30 3.882 -10.774 2.112 247 HG13 VAL 30 HG13 VAL 30 4.339 -12.444 1.802 248 HG21 VAL 30 HG21 VAL 30 1.080 -12.488 3.707 249 HG22 VAL 30 HG22 VAL 30 1.804 -13.079 2.221 250 HG23 VAL 30 HG23 VAL 30 1.566 -11.348 2.449 251 H SER 31 H SER 31 6.041 -14.278 4.344 252 HA SER 31 HA SER 31 6.371 -13.859 7.105 253 HB2 SER 31 HB2 SER 31 8.779 -14.506 6.349 254 HB3 SER 31 HB3 SER 31 7.486 -15.701 6.275 255 HG SER 31 HG SER 31 8.861 -14.450 4.239 256 H GLY 32 H GLY 32 6.867 -12.035 8.048 257 HA2 GLY 32 HA2 GLY 32 7.996 -10.086 8.523 258 HA3 GLY 32 HA3 GLY 32 8.912 -10.303 7.041 259 H ILE 33 H ILE 33 5.401 -10.175 7.197 260 HA ILE 33 HA ILE 33 5.552 -7.783 5.550 261 HB ILE 33 HB ILE 33 4.258 -9.833 4.755 262 HG12 ILE 33 HG12 ILE 33 2.652 -7.285 5.069 263 HG13 ILE 33 HG13 ILE 33 3.888 -7.529 3.873 264 HG21 ILE 33 HG21 ILE 33 3.220 -10.533 6.848 265 HG22 ILE 33 HG22 ILE 33 1.961 -10.165 5.663 266 HG23 ILE 33 HG23 ILE 33 2.326 -9.018 6.942 267 HD11 ILE 33 HD11 ILE 33 1.699 -7.883 2.843 268 HD12 ILE 33 HD12 ILE 33 1.284 -9.067 4.072 269 HD13 ILE 33 HD13 ILE 33 2.548 -9.421 2.917 270 H ASP 34 H ASP 34 4.503 -5.923 6.158 271 HA ASP 34 HA ASP 34 3.521 -5.901 8.915 272 HB2 ASP 34 HB2 ASP 34 4.945 -3.899 7.938 273 HB3 ASP 34 HB3 ASP 34 3.485 -3.530 7.043 274 H LYS 35 H LYS 35 1.591 -6.807 8.932 275 HA LYS 35 HA LYS 35 -0.049 -7.124 6.704 276 HB2 LYS 35 HB2 LYS 35 0.027 -8.528 8.772 277 HB3 LYS 35 HB3 LYS 35 -0.955 -7.302 9.562 278 HG2 LYS 35 HG2 LYS 35 -2.599 -7.670 7.598 279 HG3 LYS 35 HG3 LYS 35 -1.677 -9.129 7.308 280 HD2 LYS 35 HD2 LYS 35 -2.998 -8.450 9.926 281 HD3 LYS 35 HD3 LYS 35 -3.646 -9.564 8.727 282 HE2 LYS 35 HE2 LYS 35 -1.721 -11.017 9.008 283 HE3 LYS 35 HE3 LYS 35 -0.999 -9.870 10.139 284 HZ1 LYS 35 HZ1 LYS 35 -2.102 -11.691 11.300 285 HZ2 LYS 35 HZ2 LYS 35 -3.554 -11.306 10.550 286 HZ3 LYS 35 HZ3 LYS 35 -2.854 -10.225 11.621 287 H ASN 36 H ASN 36 0.267 -4.423 8.764 288 HA ASN 36 HA ASN 36 -2.443 -3.467 8.558 289 HB2 ASN 36 HB2 ASN 36 -0.002 -2.001 9.528 290 HB3 ASN 36 HB3 ASN 36 -1.689 -1.668 9.891 291 HD21 ASN 36 HD21 ASN 36 1.080 -3.487 10.590 292 HD22 ASN 36 HD22 ASN 36 0.491 -4.310 12.002 293 H ALA 37 H ALA 37 0.590 -3.242 6.884 294 HA ALA 37 HA ALA 37 0.096 -0.634 5.795 295 HB1 ALA 37 HB1 ALA 37 2.257 -2.627 5.168 296 HB2 ALA 37 HB2 ALA 37 2.335 -1.364 6.396 297 HB3 ALA 37 HB3 ALA 37 2.224 -0.927 4.691 298 H LEU 38 H LEU 38 -1.019 -3.615 5.096 299 HA LEU 38 HA LEU 38 -0.962 -3.600 2.233 300 HB2 LEU 38 HB2 LEU 38 -2.570 -5.207 4.196 301 HB3 LEU 38 HB3 LEU 38 -2.806 -5.337 2.476 302 HG LEU 38 HG LEU 38 -0.439 -6.085 2.268 303 HD11 LEU 38 HD11 LEU 38 -0.642 -6.064 5.206 304 HD12 LEU 38 HD12 LEU 38 0.524 -5.198 4.187 305 HD13 LEU 38 HD13 LEU 38 0.560 -6.970 4.293 306 HD21 LEU 38 HD21 LEU 38 -2.225 -7.662 2.262 307 HD22 LEU 38 HD22 LEU 38 -2.263 -7.659 4.026 308 HD23 LEU 38 HD23 LEU 38 -0.860 -8.306 3.179 309 H ASP 39 H ASP 39 -3.075 -2.399 4.687 310 HA ASP 39 HA ASP 39 -5.173 -2.017 2.750 311 HB2 ASP 39 HB2 ASP 39 -5.845 -2.774 4.936 312 HB3 ASP 39 HB3 ASP 39 -5.073 -1.386 5.701 313 H ILE 40 H ILE 40 -4.017 -0.778 1.446 314 HA ILE 40 HA ILE 40 -2.851 1.703 2.172 315 HB ILE 40 HB ILE 40 -3.363 0.554 -0.599 316 HG12 ILE 40 HG12 ILE 40 -0.862 0.493 1.034 317 HG13 ILE 40 HG13 ILE 40 -2.042 -0.789 1.167 318 HG21 ILE 40 HG21 ILE 40 -1.413 2.660 0.384 319 HG22 ILE 40 HG22 ILE 40 -2.869 2.979 -0.558 320 HG23 ILE 40 HG23 ILE 40 -1.543 2.051 -1.273 321 HD11 ILE 40 HD11 ILE 40 -0.245 -1.387 -0.330 322 HD12 ILE 40 HD12 ILE 40 -0.610 0.011 -1.350 323 HD13 ILE 40 HD13 ILE 40 -1.784 -1.300 -1.168 324 H ASN 41 H ASN 41 -5.920 0.766 0.690 325 HA ASN 41 HA ASN 41 -6.572 3.525 0.133 326 HB2 ASN 41 HB2 ASN 41 -8.666 2.779 -0.752 327 HB3 ASN 41 HB3 ASN 41 -7.506 1.542 -1.200 328 HD21 ASN 41 HD21 ASN 41 -10.345 1.387 -0.971 329 HD22 ASN 41 HD22 ASN 41 -10.733 0.155 0.168 330 H GLY 42 H GLY 42 -6.509 1.645 2.837 331 HA2 GLY 42 HA2 GLY 42 -7.132 1.983 4.992 332 HA3 GLY 42 HA3 GLY 42 -7.522 3.639 4.547 333 H ASP 43 H ASP 43 -8.895 0.362 4.017 334 HA ASP 43 HA ASP 43 -11.467 1.506 4.922 335 HB2 ASP 43 HB2 ASP 43 -12.745 0.072 3.498 336 HB3 ASP 43 HB3 ASP 43 -11.457 0.692 2.483 337 H GLY 44 H GLY 44 -9.057 -0.776 5.489 338 HA2 GLY 44 HA2 GLY 44 -8.860 -1.783 7.635 339 HA3 GLY 44 HA3 GLY 44 -10.612 -1.874 7.697 340 H ALA 45 H ALA 45 -10.293 -2.902 4.732 341 HA ALA 45 HA ALA 45 -9.600 -5.658 5.494 342 HB1 ALA 45 HB1 ALA 45 -11.964 -5.393 4.938 343 HB2 ALA 45 HB2 ALA 45 -11.129 -6.365 3.713 344 HB3 ALA 45 HB3 ALA 45 -11.508 -4.670 3.395 345 H VAL 46 H VAL 46 -8.469 -6.931 3.837 346 HA VAL 46 HA VAL 46 -6.783 -5.232 2.269 347 HB VAL 46 HB VAL 46 -6.574 -8.157 2.984 348 HG11 VAL 46 HG11 VAL 46 -4.643 -6.236 1.762 349 HG12 VAL 46 HG12 VAL 46 -5.478 -7.571 0.939 350 HG13 VAL 46 HG13 VAL 46 -4.275 -7.914 2.210 351 HG21 VAL 46 HG21 VAL 46 -4.807 -7.458 4.550 352 HG22 VAL 46 HG22 VAL 46 -6.365 -6.742 4.967 353 HG23 VAL 46 HG23 VAL 46 -5.137 -5.773 4.157 354 H ASN 47 H ASN 47 -7.431 -4.930 0.307 355 HA ASN 47 HA ASN 47 -8.718 -7.073 -1.151 356 HB2 ASN 47 HB2 ASN 47 -10.404 -5.265 -1.986 357 HB3 ASN 47 HB3 ASN 47 -10.671 -6.091 -0.464 358 HD21 ASN 47 HD21 ASN 47 -11.770 -4.610 0.609 359 HD22 ASN 47 HD22 ASN 47 -11.253 -3.025 1.023 360 H GLY 48 H GLY 48 -9.183 -6.323 -3.489 361 HA2 GLY 48 HA2 GLY 48 -6.667 -5.858 -4.643 362 HA3 GLY 48 HA3 GLY 48 -8.169 -5.935 -5.542 363 H ARG 49 H ARG 49 -9.066 -3.724 -3.631 364 HA ARG 49 HA ARG 49 -8.539 -1.448 -5.216 365 HB2 ARG 49 HB2 ARG 49 -9.363 -1.668 -2.334 366 HB3 ARG 49 HB3 ARG 49 -9.400 -0.172 -3.254 367 HG2 ARG 49 HG2 ARG 49 -10.850 -2.507 -4.353 368 HG3 ARG 49 HG3 ARG 49 -11.512 -1.698 -2.932 369 HD2 ARG 49 HD2 ARG 49 -12.410 -0.845 -5.142 370 HD3 ARG 49 HD3 ARG 49 -11.682 0.373 -4.102 371 HE ARG 49 HE ARG 49 -9.827 0.486 -5.554 372 HH11 ARG 49 HH11 ARG 49 -12.321 -1.668 -6.912 373 HH12 ARG 49 HH12 ARG 49 -11.892 -1.329 -8.518 374 HH21 ARG 49 HH21 ARG 49 -9.298 0.936 -7.738 375 HH22 ARG 49 HH22 ARG 49 -10.130 0.166 -9.009 376 H ASP 50 H ASP 50 -7.039 -2.758 -2.283 377 HA ASP 50 HA ASP 50 -5.236 -0.624 -1.812 378 HB2 ASP 50 HB2 ASP 50 -4.927 -3.527 -1.062 379 HB3 ASP 50 HB3 ASP 50 -4.066 -2.149 -0.395 380 H LEU 51 H LEU 51 -5.123 -3.667 -3.469 381 HA LEU 51 HA LEU 51 -2.446 -3.716 -4.258 382 HB2 LEU 51 HB2 LEU 51 -3.785 -5.683 -4.529 383 HB3 LEU 51 HB3 LEU 51 -4.922 -4.839 -5.548 384 HG LEU 51 HG LEU 51 -3.296 -4.787 -7.379 385 HD11 LEU 51 HD11 LEU 51 -1.495 -6.441 -5.608 386 HD12 LEU 51 HD12 LEU 51 -1.217 -4.740 -5.988 387 HD13 LEU 51 HD13 LEU 51 -1.177 -5.949 -7.270 388 HD21 LEU 51 HD21 LEU 51 -4.815 -6.675 -7.178 389 HD22 LEU 51 HD22 LEU 51 -3.637 -7.494 -6.147 390 HD23 LEU 51 HD23 LEU 51 -3.256 -7.193 -7.843 391 H MET 52 H MET 52 -5.263 -2.370 -5.859 392 HA MET 52 HA MET 52 -3.836 -1.346 -8.065 393 HB2 MET 52 HB2 MET 52 -6.524 -0.577 -6.962 394 HB3 MET 52 HB3 MET 52 -5.879 0.071 -8.471 395 HG2 MET 52 HG2 MET 52 -5.710 -2.263 -9.311 396 HG3 MET 52 HG3 MET 52 -6.491 -2.799 -7.826 397 HE1 MET 52 HE1 MET 52 -9.316 -3.337 -10.412 398 HE2 MET 52 HE2 MET 52 -8.356 -4.051 -9.118 399 HE3 MET 52 HE3 MET 52 -7.589 -3.608 -10.643 400 H GLU 53 H GLU 53 -4.592 0.005 -4.928 401 HA GLU 53 HA GLU 53 -3.627 2.619 -5.414 402 HB2 GLU 53 HB2 GLU 53 -3.883 0.990 -2.899 403 HB3 GLU 53 HB3 GLU 53 -3.245 2.618 -2.895 404 HG2 GLU 53 HG2 GLU 53 -5.961 1.847 -3.898 405 HG3 GLU 53 HG3 GLU 53 -5.665 2.493 -2.289 406 H LEU 54 H LEU 54 -2.121 -0.337 -4.276 407 HA LEU 54 HA LEU 54 0.400 0.690 -3.725 408 HB2 LEU 54 HB2 LEU 54 -0.547 -1.506 -3.048 409 HB3 LEU 54 HB3 LEU 54 -0.302 -2.060 -4.678 410 HG LEU 54 HG LEU 54 2.077 -1.949 -4.467 411 HD11 LEU 54 HD11 LEU 54 1.547 -0.775 -1.739 412 HD12 LEU 54 HD12 LEU 54 2.285 0.061 -3.107 413 HD13 LEU 54 HD13 LEU 54 3.127 -1.279 -2.334 414 HD21 LEU 54 HD21 LEU 54 0.813 -3.190 -2.032 415 HD22 LEU 54 HD22 LEU 54 2.403 -3.584 -2.685 416 HD23 LEU 54 HD23 LEU 54 0.951 -3.927 -3.623 417 H ILE 55 H ILE 55 -0.889 -0.819 -6.574 418 HA ILE 55 HA ILE 55 1.341 -0.610 -8.336 419 HB ILE 55 HB ILE 55 -1.634 -0.520 -8.979 420 HG12 ILE 55 HG12 ILE 55 0.302 -2.848 -9.125 421 HG13 ILE 55 HG13 ILE 55 -0.856 -2.579 -7.830 422 HG21 ILE 55 HG21 ILE 55 0.691 -1.028 -10.844 423 HG22 ILE 55 HG22 ILE 55 -0.340 0.403 -10.840 424 HG23 ILE 55 HG23 ILE 55 -1.014 -1.170 -11.273 425 HD11 ILE 55 HD11 ILE 55 -1.544 -3.100 -10.722 426 HD12 ILE 55 HD12 ILE 55 -2.700 -2.863 -9.406 427 HD13 ILE 55 HD13 ILE 55 -1.639 -4.264 -9.402 428 H LYS 56 H LYS 56 -1.210 1.637 -7.582 429 HA LYS 56 HA LYS 56 -0.513 3.786 -9.236 430 HB2 LYS 56 HB2 LYS 56 -2.609 3.892 -8.269 431 HB3 LYS 56 HB3 LYS 56 -2.023 3.354 -6.720 432 HG2 LYS 56 HG2 LYS 56 -1.092 5.591 -6.318 433 HG3 LYS 56 HG3 LYS 56 -1.781 6.131 -7.869 434 HD2 LYS 56 HD2 LYS 56 -3.995 5.574 -7.128 435 HD3 LYS 56 HD3 LYS 56 -3.374 4.847 -5.655 436 HE2 LYS 56 HE2 LYS 56 -2.543 7.063 -4.971 437 HE3 LYS 56 HE3 LYS 56 -3.290 7.759 -6.411 438 HZ1 LYS 56 HZ1 LYS 56 -5.436 7.036 -5.636 439 HZ2 LYS 56 HZ2 LYS 56 -4.703 7.935 -4.411 440 HZ3 LYS 56 HZ3 LYS 56 -4.747 6.246 -4.319 441 H LYS 57 H LYS 57 0.529 2.952 -5.958 442 HA LYS 57 HA LYS 57 2.095 5.228 -5.410 443 HB2 LYS 57 HB2 LYS 57 2.427 2.405 -4.410 444 HB3 LYS 57 HB3 LYS 57 3.176 3.818 -3.670 445 HG2 LYS 57 HG2 LYS 57 0.245 3.112 -3.794 446 HG3 LYS 57 HG3 LYS 57 1.283 3.098 -2.374 447 HD2 LYS 57 HD2 LYS 57 0.534 5.557 -3.969 448 HD3 LYS 57 HD3 LYS 57 -0.243 5.035 -2.484 449 HE2 LYS 57 HE2 LYS 57 1.862 5.238 -1.263 450 HE3 LYS 57 HE3 LYS 57 2.679 5.772 -2.733 451 HZ1 LYS 57 HZ1 LYS 57 1.264 7.703 -2.786 452 HZ2 LYS 57 HZ2 LYS 57 1.999 7.627 -1.262 453 HZ3 LYS 57 HZ3 LYS 57 0.403 7.157 -1.461 454 H VAL 58 H VAL 58 3.028 2.028 -6.594 455 HA VAL 58 HA VAL 58 5.743 2.768 -7.039 456 HB VAL 58 HB VAL 58 4.142 0.456 -8.002 457 HG11 VAL 58 HG11 VAL 58 6.382 -0.781 -8.132 458 HG12 VAL 58 HG12 VAL 58 7.205 0.686 -7.637 459 HG13 VAL 58 HG13 VAL 58 6.386 0.629 -9.186 460 HG21 VAL 58 HG21 VAL 58 5.124 -0.746 -6.020 461 HG22 VAL 58 HG22 VAL 58 4.006 0.564 -5.643 462 HG23 VAL 58 HG23 VAL 58 5.744 0.813 -5.486 463 H SER 59 H SER 59 2.897 3.017 -8.829 464 HA SER 59 HA SER 59 4.036 3.183 -11.394 465 HB2 SER 59 HB2 SER 59 1.570 2.930 -11.049 466 HB3 SER 59 HB3 SER 59 1.506 4.593 -10.476 467 HG SER 59 HG SER 59 2.744 4.621 -12.794 468 H ASN 60 H ASN 60 3.586 5.445 -8.763 469 HA ASN 60 HA ASN 60 4.486 7.713 -10.256 470 HB2 ASN 60 HB2 ASN 60 2.785 7.703 -8.350 471 HB3 ASN 60 HB3 ASN 60 4.160 7.479 -7.272 472 HD21 ASN 60 HD21 ASN 60 2.598 9.536 -9.480 473 HD22 ASN 60 HD22 ASN 60 3.420 11.001 -9.079 474 H ASN 61 H ASN 61 5.654 5.787 -7.496 475 HA ASN 61 HA ASN 61 8.421 6.553 -8.171 476 HB2 ASN 61 HB2 ASN 61 7.783 7.225 -5.884 477 HB3 ASN 61 HB3 ASN 61 7.241 5.588 -5.546 478 HD21 ASN 61 HD21 ASN 61 8.834 3.921 -5.470 479 HD22 ASN 61 HD22 ASN 61 10.460 4.282 -4.980 480 H THR 62 H THR 62 9.226 4.892 -9.402 481 HA THR 62 HA THR 62 8.208 2.262 -8.713 482 HB THR 62 HB THR 62 7.790 3.028 -10.932 483 HG1 THR 62 HG1 THR 62 8.154 1.053 -11.833 484 HG21 THR 62 HG21 THR 62 10.781 2.883 -11.338 485 HG22 THR 62 HG22 THR 62 9.770 4.321 -11.473 486 HG23 THR 62 HG23 THR 62 9.629 3.027 -12.661 487 H SER 63 H SER 63 9.419 0.648 -8.079 488 HA SER 63 HA SER 63 12.203 0.647 -8.540 489 HB2 SER 63 HB2 SER 63 11.103 0.702 -5.717 490 HB3 SER 63 HB3 SER 63 12.770 0.256 -6.094 491 HG SER 63 HG SER 63 11.946 2.582 -7.249 Start of MODEL 17 1 H1 GLY -3 H1 GLY -3 -2.522 10.981 12.740 2 H2 GLY -3 H2 GLY -3 -1.396 12.222 12.650 3 H3 GLY -3 H3 GLY -3 -1.571 11.312 14.076 4 HA2 GLY -3 HA3 GLY -3 -0.622 10.266 11.479 5 HA3 GLY -3 HA2 GLY -3 0.387 10.590 12.887 6 H SER -2 H SER -2 0.649 8.109 12.169 7 HA SER -2 HA SER -2 -1.499 6.499 13.185 8 HB2 SER -2 HB2 SER -2 1.167 5.756 11.982 9 HB3 SER -2 HB3 SER -2 -0.067 4.594 12.472 10 HG SER -2 HG SER -2 -0.447 6.682 10.568 11 H ALA -1 H ALA -1 1.648 7.596 14.269 12 HA ALA -1 HA ALA -1 2.897 7.311 16.128 13 HB1 ALA -1 HB1 ALA -1 1.746 6.925 18.284 14 HB2 ALA -1 HB2 ALA -1 0.288 6.444 17.416 15 HB3 ALA -1 HB3 ALA -1 0.866 8.105 17.309 16 H SER 0 H SER 0 2.702 5.280 14.257 17 HA SER 0 HA SER 0 3.723 2.999 15.659 18 HB2 SER 0 HB2 SER 0 1.210 2.674 15.640 19 HB3 SER 0 HB3 SER 0 1.244 2.808 13.889 20 HG SER 0 HG SER 0 1.225 0.661 14.894 21 H ASN 1 H ASN 1 4.979 1.766 14.079 22 HA ASN 1 HA ASN 1 5.627 3.308 11.724 23 HB2 ASN 1 HB2 ASN 1 7.525 2.367 13.067 24 HB3 ASN 1 HB3 ASN 1 6.927 0.748 12.747 25 HD21 ASN 1 HD21 ASN 1 7.251 -0.144 10.704 26 HD22 ASN 1 HD22 ASN 1 8.325 0.468 9.527 27 H THR 2 H THR 2 3.474 2.894 11.080 28 HA THR 2 HA THR 2 3.452 0.561 9.354 29 HB THR 2 HB THR 2 1.021 1.959 10.484 30 HG1 THR 2 HG1 THR 2 2.672 0.041 11.452 31 HG21 THR 2 HG21 THR 2 0.742 0.966 8.279 32 HG22 THR 2 HG22 THR 2 -0.169 0.044 9.485 33 HG23 THR 2 HG23 THR 2 1.381 -0.562 8.870 34 H ILE 3 H ILE 3 3.754 1.187 7.371 35 HA ILE 3 HA ILE 3 2.819 3.823 6.536 36 HB ILE 3 HB ILE 3 5.127 3.981 6.512 37 HG12 ILE 3 HG12 ILE 3 4.395 3.215 3.663 38 HG13 ILE 3 HG13 ILE 3 4.198 4.800 4.393 39 HG21 ILE 3 HG21 ILE 3 5.233 1.214 5.434 40 HG22 ILE 3 HG22 ILE 3 5.880 1.820 6.953 41 HG23 ILE 3 HG23 ILE 3 6.653 2.264 5.423 42 HD11 ILE 3 HD11 ILE 3 6.634 5.019 4.569 43 HD12 ILE 3 HD12 ILE 3 6.132 4.730 2.905 44 HD13 ILE 3 HD13 ILE 3 6.835 3.422 3.853 45 H LEU 4 H LEU 4 1.044 3.572 5.422 46 HA LEU 4 HA LEU 4 0.230 1.251 4.109 47 HB2 LEU 4 HB2 LEU 4 -0.680 4.084 3.661 48 HB3 LEU 4 HB3 LEU 4 -1.530 2.632 3.201 49 HG LEU 4 HG LEU 4 -1.044 3.626 6.001 50 HD11 LEU 4 HD11 LEU 4 -2.782 4.805 4.828 51 HD12 LEU 4 HD12 LEU 4 -3.456 3.789 6.103 52 HD13 LEU 4 HD13 LEU 4 -3.565 3.280 4.419 53 HD21 LEU 4 HD21 LEU 4 -0.843 1.240 5.951 54 HD22 LEU 4 HD22 LEU 4 -2.399 1.090 5.102 55 HD23 LEU 4 HD23 LEU 4 -2.341 1.708 6.757 56 H GLY 5 H GLY 5 1.090 0.441 2.403 57 HA2 GLY 5 HA2 GLY 5 1.361 0.767 -0.009 58 HA3 GLY 5 HA3 GLY 5 2.205 2.262 0.390 59 H ASP 6 H ASP 6 3.485 0.850 2.819 60 HA ASP 6 HA ASP 6 5.375 -0.605 1.179 61 HB2 ASP 6 HB2 ASP 6 5.995 1.614 2.435 62 HB3 ASP 6 HB3 ASP 6 6.111 0.484 3.787 63 H LEU 7 H LEU 7 4.738 -2.482 1.366 64 HA LEU 7 HA LEU 7 3.461 -3.565 3.694 65 HB2 LEU 7 HB2 LEU 7 4.067 -4.624 0.983 66 HB3 LEU 7 HB3 LEU 7 3.414 -5.643 2.239 67 HG LEU 7 HG LEU 7 1.399 -4.158 2.329 68 HD11 LEU 7 HD11 LEU 7 0.953 -2.604 0.558 69 HD12 LEU 7 HD12 LEU 7 2.554 -2.877 -0.129 70 HD13 LEU 7 HD13 LEU 7 2.393 -2.091 1.445 71 HD21 LEU 7 HD21 LEU 7 0.478 -4.880 0.245 72 HD22 LEU 7 HD22 LEU 7 1.415 -6.162 1.037 73 HD23 LEU 7 HD23 LEU 7 2.088 -5.284 -0.333 74 H ASN 8 H ASN 8 6.532 -3.841 2.166 75 HA ASN 8 HA ASN 8 7.270 -6.015 3.973 76 HB2 ASN 8 HB2 ASN 8 9.335 -6.241 2.681 77 HB3 ASN 8 HB3 ASN 8 7.933 -6.320 1.635 78 HD21 ASN 8 HD21 ASN 8 10.566 -5.816 0.887 79 HD22 ASN 8 HD22 ASN 8 10.678 -4.234 0.217 80 H ASP 9 H ASP 9 7.226 -2.778 4.058 81 HA ASP 9 HA ASP 9 8.114 -1.165 5.247 82 HB2 ASP 9 HB2 ASP 9 7.249 -2.428 7.162 83 HB3 ASP 9 HB3 ASP 9 8.731 -3.379 7.182 84 H ASP 10 H ASP 10 9.501 -1.249 3.449 85 HA ASP 10 HA ASP 10 12.289 -1.340 4.362 86 HB2 ASP 10 HB2 ASP 10 13.057 -1.585 1.999 87 HB3 ASP 10 HB3 ASP 10 11.925 -2.853 2.455 88 H GLY 11 H GLY 11 9.751 0.626 3.473 89 HA2 GLY 11 HA2 GLY 11 9.742 2.933 4.034 90 HA3 GLY 11 HA3 GLY 11 11.487 2.950 3.824 91 H VAL 12 H VAL 12 9.841 1.455 1.249 92 HA VAL 12 HA VAL 12 9.389 3.812 -0.260 93 HB VAL 12 HB VAL 12 11.789 3.839 -0.455 94 HG11 VAL 12 HG11 VAL 12 12.273 1.589 0.152 95 HG12 VAL 12 HG12 VAL 12 13.111 1.987 -1.356 96 HG13 VAL 12 HG13 VAL 12 11.654 0.980 -1.385 97 HG21 VAL 12 HG21 VAL 12 10.592 4.445 -2.483 98 HG22 VAL 12 HG22 VAL 12 10.575 2.762 -3.001 99 HG23 VAL 12 HG23 VAL 12 12.104 3.636 -2.898 100 H VAL 13 H VAL 13 7.777 3.416 -1.632 101 HA VAL 13 HA VAL 13 6.679 0.886 -1.778 102 HB VAL 13 HB VAL 13 5.061 2.006 -3.434 103 HG11 VAL 13 HG11 VAL 13 4.034 3.408 -1.678 104 HG12 VAL 13 HG12 VAL 13 5.526 3.310 -0.743 105 HG13 VAL 13 HG13 VAL 13 4.577 1.861 -1.045 106 HG21 VAL 13 HG21 VAL 13 6.686 4.470 -2.717 107 HG22 VAL 13 HG22 VAL 13 5.166 4.472 -3.608 108 HG23 VAL 13 HG23 VAL 13 6.593 3.727 -4.308 109 H ASN 14 H ASN 14 7.845 -0.694 -2.926 110 HA ASN 14 HA ASN 14 8.420 -0.093 -5.724 111 HB2 ASN 14 HB2 ASN 14 10.521 -1.358 -5.668 112 HB3 ASN 14 HB3 ASN 14 10.576 -0.018 -4.534 113 HD21 ASN 14 HD21 ASN 14 10.550 -0.444 -2.475 114 HD22 ASN 14 HD22 ASN 14 10.972 -1.942 -1.709 115 H GLY 15 H GLY 15 9.374 -2.573 -6.424 116 HA2 GLY 15 HA2 GLY 15 6.908 -3.849 -6.982 117 HA3 GLY 15 HA3 GLY 15 8.453 -4.479 -7.419 118 H ARG 16 H ARG 16 9.250 -4.380 -4.484 119 HA ARG 16 HA ARG 16 8.636 -7.059 -3.822 120 HB2 ARG 16 HB2 ARG 16 9.674 -4.775 -2.209 121 HB3 ARG 16 HB3 ARG 16 9.501 -6.380 -1.526 122 HG2 ARG 16 HG2 ARG 16 11.103 -5.706 -3.944 123 HG3 ARG 16 HG3 ARG 16 11.797 -5.810 -2.319 124 HD2 ARG 16 HD2 ARG 16 10.967 -8.153 -2.179 125 HD3 ARG 16 HD3 ARG 16 10.412 -8.020 -3.844 126 HE ARG 16 HE ARG 16 13.179 -7.421 -3.508 127 HH11 ARG 16 HH11 ARG 16 10.869 -10.076 -3.959 128 HH12 ARG 16 HH12 ARG 16 12.037 -11.172 -4.550 129 HH21 ARG 16 HH21 ARG 16 14.784 -8.967 -4.290 130 HH22 ARG 16 HH22 ARG 16 14.283 -10.513 -4.762 131 H ASP 17 H ASP 17 7.143 -4.037 -3.066 132 HA ASP 17 HA ASP 17 5.517 -4.920 -0.938 133 HB2 ASP 17 HB2 ASP 17 5.162 -2.632 -2.866 134 HB3 ASP 17 HB3 ASP 17 4.274 -2.844 -1.366 135 H ILE 18 H ILE 18 5.040 -4.489 -4.405 136 HA ILE 18 HA ILE 18 2.483 -5.326 -4.776 137 HB ILE 18 HB ILE 18 4.952 -5.702 -6.486 138 HG12 ILE 18 HG12 ILE 18 3.912 -4.124 -7.992 139 HG13 ILE 18 HG13 ILE 18 2.478 -4.047 -6.931 140 HG21 ILE 18 HG21 ILE 18 3.614 -6.445 -8.394 141 HG22 ILE 18 HG22 ILE 18 2.198 -6.544 -7.347 142 HG23 ILE 18 HG23 ILE 18 3.577 -7.601 -7.058 143 HD11 ILE 18 HD11 ILE 18 3.877 -2.132 -6.778 144 HD12 ILE 18 HD12 ILE 18 5.246 -3.150 -6.296 145 HD13 ILE 18 HD13 ILE 18 3.828 -3.021 -5.258 146 H VAL 19 H VAL 19 5.354 -7.273 -4.450 147 HA VAL 19 HA VAL 19 4.292 -9.819 -4.937 148 HB VAL 19 HB VAL 19 6.543 -9.194 -3.020 149 HG11 VAL 19 HG11 VAL 19 5.798 -11.507 -2.910 150 HG12 VAL 19 HG12 VAL 19 7.402 -11.401 -3.627 151 HG13 VAL 19 HG13 VAL 19 5.996 -11.671 -4.656 152 HG21 VAL 19 HG21 VAL 19 6.609 -9.519 -6.002 153 HG22 VAL 19 HG22 VAL 19 8.043 -9.455 -4.942 154 HG23 VAL 19 HG23 VAL 19 6.965 -8.064 -5.059 155 H MET 20 H MET 20 4.945 -8.162 -1.907 156 HA MET 20 HA MET 20 3.991 -10.088 -0.080 157 HB2 MET 20 HB2 MET 20 3.811 -7.108 0.372 158 HB3 MET 20 HB3 MET 20 4.012 -8.409 1.547 159 HG2 MET 20 HG2 MET 20 6.060 -7.750 -0.538 160 HG3 MET 20 HG3 MET 20 6.080 -6.995 1.028 161 HE1 MET 20 HE1 MET 20 7.003 -9.892 3.406 162 HE2 MET 20 HE2 MET 20 5.459 -9.086 3.119 163 HE3 MET 20 HE3 MET 20 6.944 -8.145 3.196 164 H MET 21 H MET 21 2.412 -7.386 -1.632 165 HA MET 21 HA MET 21 -0.139 -7.306 -0.550 166 HB2 MET 21 HB2 MET 21 0.890 -5.754 -2.241 167 HB3 MET 21 HB3 MET 21 0.695 -7.009 -3.428 168 HG2 MET 21 HG2 MET 21 -1.031 -5.630 -3.932 169 HG3 MET 21 HG3 MET 21 -1.871 -6.783 -2.913 170 HE1 MET 21 HE1 MET 21 -2.938 -6.072 -0.541 171 HE2 MET 21 HE2 MET 21 -2.502 -4.547 0.252 172 HE3 MET 21 HE3 MET 21 -1.297 -5.804 0.069 173 H ARG 22 H ARG 22 0.994 -9.001 -3.398 174 HA ARG 22 HA ARG 22 -1.406 -10.357 -3.924 175 HB2 ARG 22 HB2 ARG 22 1.377 -10.559 -4.993 176 HB3 ARG 22 HB3 ARG 22 0.084 -11.615 -5.568 177 HG2 ARG 22 HG2 ARG 22 -1.163 -9.758 -6.383 178 HG3 ARG 22 HG3 ARG 22 -0.099 -8.615 -5.569 179 HD2 ARG 22 HD2 ARG 22 1.663 -9.064 -7.029 180 HD3 ARG 22 HD3 ARG 22 0.900 -10.472 -7.742 181 HE ARG 22 HE ARG 22 -0.757 -8.242 -8.088 182 HH11 ARG 22 HH11 ARG 22 2.398 -9.361 -9.237 183 HH12 ARG 22 HH12 ARG 22 2.276 -8.639 -10.763 184 HH21 ARG 22 HH21 ARG 22 -0.930 -7.188 -10.228 185 HH22 ARG 22 HH22 ARG 22 0.344 -7.378 -11.327 186 H GLN 23 H GLN 23 1.421 -11.225 -2.018 187 HA GLN 23 HA GLN 23 0.978 -13.982 -1.874 188 HB2 GLN 23 HB2 GLN 23 2.015 -12.158 0.241 189 HB3 GLN 23 HB3 GLN 23 2.250 -13.901 0.213 190 HG2 GLN 23 HG2 GLN 23 3.390 -11.886 -1.697 191 HG3 GLN 23 HG3 GLN 23 4.270 -12.737 -0.454 192 HE21 GLN 23 HE21 GLN 23 2.887 -12.925 -3.598 193 HE22 GLN 23 HE22 GLN 23 3.480 -14.481 -4.018 194 H TYR 24 H TYR 24 -0.023 -11.350 0.298 195 HA TYR 24 HA TYR 24 -1.496 -12.981 2.083 196 HB2 TYR 24 HB2 TYR 24 -0.610 -10.729 2.569 197 HB3 TYR 24 HB3 TYR 24 -1.791 -10.022 1.527 198 HD1 TYR 24 HD1 TYR 24 -4.217 -10.097 2.112 199 HD2 TYR 24 HD2 TYR 24 -1.247 -11.432 4.833 200 HE1 TYR 24 HE1 TYR 24 -5.830 -9.950 3.894 201 HE2 TYR 24 HE2 TYR 24 -2.876 -11.290 6.679 202 HH TYR 24 HH TYR 24 -6.230 -10.860 6.107 203 H LEU 25 H LEU 25 -2.338 -11.038 -0.599 204 HA LEU 25 HA LEU 25 -5.157 -11.431 -0.663 205 HB2 LEU 25 HB2 LEU 25 -3.325 -10.965 -3.012 206 HB3 LEU 25 HB3 LEU 25 -5.068 -10.959 -3.117 207 HG LEU 25 HG LEU 25 -3.406 -9.044 -1.511 208 HD11 LEU 25 HD11 LEU 25 -4.084 -7.393 -3.223 209 HD12 LEU 25 HD12 LEU 25 -4.871 -8.681 -4.133 210 HD13 LEU 25 HD13 LEU 25 -3.122 -8.698 -3.910 211 HD21 LEU 25 HD21 LEU 25 -5.505 -7.754 -1.301 212 HD22 LEU 25 HD22 LEU 25 -5.618 -9.329 -0.519 213 HD23 LEU 25 HD23 LEU 25 -6.375 -9.064 -2.089 214 H ALA 26 H ALA 26 -2.630 -13.527 -1.665 215 HA ALA 26 HA ALA 26 -4.417 -15.374 -3.020 216 HB1 ALA 26 HB1 ALA 26 -1.497 -15.624 -2.339 217 HB2 ALA 26 HB2 ALA 26 -2.150 -15.068 -3.879 218 HB3 ALA 26 HB3 ALA 26 -2.399 -16.742 -3.359 219 H GLY 27 H GLY 27 -3.606 -14.743 0.152 220 HA2 GLY 27 HA2 GLY 27 -4.414 -15.826 2.020 221 HA3 GLY 27 HA3 GLY 27 -4.749 -17.226 1.008 222 H LYS 28 H LYS 28 -1.623 -15.763 0.847 223 HA LYS 28 HA LYS 28 -0.439 -18.174 1.993 224 HB2 LYS 28 HB2 LYS 28 0.999 -15.814 0.766 225 HB3 LYS 28 HB3 LYS 28 1.625 -17.413 1.057 226 HG2 LYS 28 HG2 LYS 28 0.209 -18.348 -0.665 227 HG3 LYS 28 HG3 LYS 28 -0.567 -16.774 -0.885 228 HD2 LYS 28 HD2 LYS 28 1.037 -17.021 -2.654 229 HD3 LYS 28 HD3 LYS 28 1.664 -15.848 -1.499 230 HE2 LYS 28 HE2 LYS 28 3.434 -17.326 -2.217 231 HE3 LYS 28 HE3 LYS 28 3.089 -17.580 -0.511 232 HZ1 LYS 28 HZ1 LYS 28 3.390 -19.644 -1.735 233 HZ2 LYS 28 HZ2 LYS 28 2.076 -19.272 -2.723 234 HZ3 LYS 28 HZ3 LYS 28 1.846 -19.547 -1.075 235 H THR 29 H THR 29 1.112 -18.016 3.628 236 HA THR 29 HA THR 29 0.699 -15.871 5.532 237 HB THR 29 HB THR 29 2.641 -18.204 5.674 238 HG1 THR 29 HG1 THR 29 -0.071 -18.176 5.763 239 HG21 THR 29 HG21 THR 29 2.439 -17.870 8.102 240 HG22 THR 29 HG22 THR 29 1.329 -16.525 7.826 241 HG23 THR 29 HG23 THR 29 3.011 -16.401 7.310 242 H VAL 30 H VAL 30 1.930 -14.013 5.274 243 HA VAL 30 HA VAL 30 4.325 -14.313 3.675 244 HB VAL 30 HB VAL 30 3.260 -11.670 4.506 245 HG11 VAL 30 HG11 VAL 30 5.330 -11.778 3.274 246 HG12 VAL 30 HG12 VAL 30 4.085 -11.008 2.281 247 HG13 VAL 30 HG13 VAL 30 4.536 -12.683 1.985 248 HG21 VAL 30 HG21 VAL 30 2.016 -13.308 2.295 249 HG22 VAL 30 HG22 VAL 30 1.763 -11.582 2.536 250 HG23 VAL 30 HG23 VAL 30 1.220 -12.730 3.762 251 H SER 31 H SER 31 6.113 -14.402 4.722 252 HA SER 31 HA SER 31 6.349 -13.822 7.499 253 HB2 SER 31 HB2 SER 31 7.515 -15.709 6.459 254 HB3 SER 31 HB3 SER 31 8.415 -14.605 5.428 255 HG SER 31 HG SER 31 9.721 -14.233 6.987 256 H GLY 32 H GLY 32 6.904 -11.938 8.370 257 HA2 GLY 32 HA2 GLY 32 7.915 -9.916 8.680 258 HA3 GLY 32 HA3 GLY 32 8.882 -10.260 7.254 259 H ILE 33 H ILE 33 5.375 -10.146 7.280 260 HA ILE 33 HA ILE 33 5.581 -7.860 5.494 261 HB ILE 33 HB ILE 33 4.220 -9.948 4.781 262 HG12 ILE 33 HG12 ILE 33 2.676 -7.354 4.980 263 HG13 ILE 33 HG13 ILE 33 3.905 -7.669 3.790 264 HG21 ILE 33 HG21 ILE 33 2.333 -8.997 6.926 265 HG22 ILE 33 HG22 ILE 33 3.190 -10.546 6.873 266 HG23 ILE 33 HG23 ILE 33 1.952 -10.177 5.674 267 HD11 ILE 33 HD11 ILE 33 2.555 -9.583 2.947 268 HD12 ILE 33 HD12 ILE 33 1.741 -8.042 2.771 269 HD13 ILE 33 HD13 ILE 33 1.279 -9.139 4.075 270 H ASP 34 H ASP 34 4.412 -5.954 6.005 271 HA ASP 34 HA ASP 34 3.497 -5.950 8.770 272 HB2 ASP 34 HB2 ASP 34 4.890 -3.933 7.764 273 HB3 ASP 34 HB3 ASP 34 3.378 -3.544 6.979 274 H LYS 35 H LYS 35 1.622 -6.888 8.755 275 HA LYS 35 HA LYS 35 -0.089 -7.219 6.599 276 HB2 LYS 35 HB2 LYS 35 0.067 -8.564 8.726 277 HB3 LYS 35 HB3 LYS 35 -0.918 -7.312 9.476 278 HG2 LYS 35 HG2 LYS 35 -2.611 -7.774 7.625 279 HG3 LYS 35 HG3 LYS 35 -1.652 -9.185 7.256 280 HD2 LYS 35 HD2 LYS 35 -3.435 -9.890 8.702 281 HD3 LYS 35 HD3 LYS 35 -1.922 -9.974 9.599 282 HE2 LYS 35 HE2 LYS 35 -2.432 -7.848 10.700 283 HE3 LYS 35 HE3 LYS 35 -3.912 -7.703 9.760 284 HZ1 LYS 35 HZ1 LYS 35 -3.303 -9.799 11.762 285 HZ2 LYS 35 HZ2 LYS 35 -4.693 -9.744 10.843 286 HZ3 LYS 35 HZ3 LYS 35 -4.369 -8.506 11.961 287 H ASN 36 H ASN 36 0.207 -4.511 8.757 288 HA ASN 36 HA ASN 36 -2.501 -3.595 8.437 289 HB2 ASN 36 HB2 ASN 36 -0.137 -2.207 9.677 290 HB3 ASN 36 HB3 ASN 36 -1.834 -1.802 9.873 291 HD21 ASN 36 HD21 ASN 36 0.746 -3.765 10.815 292 HD22 ASN 36 HD22 ASN 36 -0.033 -4.580 12.130 293 H ALA 37 H ALA 37 0.533 -3.303 6.828 294 HA ALA 37 HA ALA 37 0.095 -0.601 5.884 295 HB1 ALA 37 HB1 ALA 37 2.245 -2.592 5.209 296 HB2 ALA 37 HB2 ALA 37 2.329 -1.362 6.475 297 HB3 ALA 37 HB3 ALA 37 2.238 -0.878 4.787 298 H LEU 38 H LEU 38 -1.057 -3.519 5.080 299 HA LEU 38 HA LEU 38 -0.918 -3.421 2.221 300 HB2 LEU 38 HB2 LEU 38 -2.455 -5.157 4.113 301 HB3 LEU 38 HB3 LEU 38 -2.728 -5.216 2.391 302 HG LEU 38 HG LEU 38 -0.314 -5.829 2.116 303 HD11 LEU 38 HD11 LEU 38 0.797 -6.754 4.031 304 HD12 LEU 38 HD12 LEU 38 -0.478 -6.054 5.051 305 HD13 LEU 38 HD13 LEU 38 0.571 -5.007 4.103 306 HD21 LEU 38 HD21 LEU 38 -0.632 -8.132 2.857 307 HD22 LEU 38 HD22 LEU 38 -2.013 -7.479 1.982 308 HD23 LEU 38 HD23 LEU 38 -2.075 -7.623 3.737 309 H ASP 39 H ASP 39 -3.185 -2.347 4.651 310 HA ASP 39 HA ASP 39 -5.164 -1.934 2.603 311 HB2 ASP 39 HB2 ASP 39 -5.972 -2.720 4.718 312 HB3 ASP 39 HB3 ASP 39 -5.250 -1.355 5.559 313 H ILE 40 H ILE 40 -4.048 -0.691 1.374 314 HA ILE 40 HA ILE 40 -2.861 1.785 2.102 315 HB ILE 40 HB ILE 40 -3.393 0.628 -0.649 316 HG12 ILE 40 HG12 ILE 40 -0.884 0.584 0.947 317 HG13 ILE 40 HG13 ILE 40 -2.036 -0.720 1.091 318 HG21 ILE 40 HG21 ILE 40 -1.547 2.116 -1.342 319 HG22 ILE 40 HG22 ILE 40 -1.422 2.735 0.308 320 HG23 ILE 40 HG23 ILE 40 -2.873 3.053 -0.646 321 HD11 ILE 40 HD11 ILE 40 -0.610 0.115 -1.421 322 HD12 ILE 40 HD12 ILE 40 -1.801 -1.193 -1.277 323 HD13 ILE 40 HD13 ILE 40 -0.271 -1.308 -0.431 324 H ASN 41 H ASN 41 -5.907 0.826 0.614 325 HA ASN 41 HA ASN 41 -6.495 3.585 -0.010 326 HB2 ASN 41 HB2 ASN 41 -8.517 2.874 -1.023 327 HB3 ASN 41 HB3 ASN 41 -7.337 1.638 -1.434 328 HD21 ASN 41 HD21 ASN 41 -10.156 1.502 -1.435 329 HD22 ASN 41 HD22 ASN 41 -10.622 0.242 -0.331 330 H GLY 42 H GLY 42 -6.560 1.766 2.723 331 HA2 GLY 42 HA2 GLY 42 -7.337 2.210 4.829 332 HA3 GLY 42 HA3 GLY 42 -7.797 3.796 4.232 333 H ASP 43 H ASP 43 -8.937 0.451 3.755 334 HA ASP 43 HA ASP 43 -11.593 1.502 4.419 335 HB2 ASP 43 HB2 ASP 43 -12.697 -0.292 3.047 336 HB3 ASP 43 HB3 ASP 43 -11.759 0.838 2.095 337 H GLY 44 H GLY 44 -9.166 -0.526 5.378 338 HA2 GLY 44 HA2 GLY 44 -9.201 -1.425 7.561 339 HA3 GLY 44 HA3 GLY 44 -10.932 -1.676 7.399 340 H ALA 45 H ALA 45 -9.982 -2.706 4.527 341 HA ALA 45 HA ALA 45 -9.397 -5.438 5.457 342 HB1 ALA 45 HB1 ALA 45 -10.878 -6.255 3.688 343 HB2 ALA 45 HB2 ALA 45 -11.273 -4.590 3.256 344 HB3 ALA 45 HB3 ALA 45 -11.744 -5.229 4.831 345 H VAL 46 H VAL 46 -8.252 -6.779 3.843 346 HA VAL 46 HA VAL 46 -6.570 -5.145 2.177 347 HB VAL 46 HB VAL 46 -6.298 -8.016 3.089 348 HG11 VAL 46 HG11 VAL 46 -5.283 -7.590 0.984 349 HG12 VAL 46 HG12 VAL 46 -4.038 -7.803 2.240 350 HG13 VAL 46 HG13 VAL 46 -4.456 -6.174 1.647 351 HG21 VAL 46 HG21 VAL 46 -6.046 -6.450 4.953 352 HG22 VAL 46 HG22 VAL 46 -4.850 -5.542 4.028 353 HG23 VAL 46 HG23 VAL 46 -4.504 -7.199 4.530 354 H ASN 47 H ASN 47 -7.346 -4.952 0.247 355 HA ASN 47 HA ASN 47 -8.473 -7.239 -1.127 356 HB2 ASN 47 HB2 ASN 47 -10.312 -5.628 -1.987 357 HB3 ASN 47 HB3 ASN 47 -10.483 -6.355 -0.401 358 HD21 ASN 47 HD21 ASN 47 -11.687 -4.866 0.529 359 HD22 ASN 47 HD22 ASN 47 -11.270 -3.218 0.823 360 H GLY 48 H GLY 48 -9.096 -6.409 -3.517 361 HA2 GLY 48 HA2 GLY 48 -6.595 -5.865 -4.688 362 HA3 GLY 48 HA3 GLY 48 -8.098 -5.965 -5.575 363 H ARG 49 H ARG 49 -9.057 -3.847 -3.613 364 HA ARG 49 HA ARG 49 -8.720 -1.485 -5.090 365 HB2 ARG 49 HB2 ARG 49 -9.265 -1.860 -2.156 366 HB3 ARG 49 HB3 ARG 49 -9.467 -0.347 -3.012 367 HG2 ARG 49 HG2 ARG 49 -10.953 -2.787 -3.887 368 HG3 ARG 49 HG3 ARG 49 -11.518 -1.833 -2.520 369 HD2 ARG 49 HD2 ARG 49 -12.624 -1.131 -4.595 370 HD3 ARG 49 HD3 ARG 49 -11.608 0.154 -3.943 371 HE ARG 49 HE ARG 49 -10.544 -1.578 -6.030 372 HH11 ARG 49 HH11 ARG 49 -11.794 1.622 -5.123 373 HH12 ARG 49 HH12 ARG 49 -11.155 2.406 -6.497 374 HH21 ARG 49 HH21 ARG 49 -9.669 -0.418 -7.917 375 HH22 ARG 49 HH22 ARG 49 -9.957 1.251 -8.064 376 H ASP 50 H ASP 50 -7.015 -2.839 -2.316 377 HA ASP 50 HA ASP 50 -5.280 -0.640 -1.869 378 HB2 ASP 50 HB2 ASP 50 -4.890 -3.519 -1.064 379 HB3 ASP 50 HB3 ASP 50 -4.091 -2.087 -0.417 380 H LEU 51 H LEU 51 -5.110 -3.675 -3.535 381 HA LEU 51 HA LEU 51 -2.432 -3.615 -4.353 382 HB2 LEU 51 HB2 LEU 51 -3.707 -5.637 -4.625 383 HB3 LEU 51 HB3 LEU 51 -4.858 -4.835 -5.663 384 HG LEU 51 HG LEU 51 -3.214 -4.733 -7.479 385 HD11 LEU 51 HD11 LEU 51 -1.042 -5.741 -7.348 386 HD12 LEU 51 HD12 LEU 51 -1.349 -6.327 -5.736 387 HD13 LEU 51 HD13 LEU 51 -1.151 -4.584 -6.014 388 HD21 LEU 51 HD21 LEU 51 -4.624 -6.684 -7.304 389 HD22 LEU 51 HD22 LEU 51 -3.467 -7.435 -6.207 390 HD23 LEU 51 HD23 LEU 51 -3.022 -7.154 -7.888 391 H MET 52 H MET 52 -5.316 -2.295 -5.866 392 HA MET 52 HA MET 52 -4.018 -1.197 -8.129 393 HB2 MET 52 HB2 MET 52 -6.630 -0.461 -6.817 394 HB3 MET 52 HB3 MET 52 -6.077 0.255 -8.327 395 HG2 MET 52 HG2 MET 52 -6.003 -2.031 -9.304 396 HG3 MET 52 HG3 MET 52 -6.688 -2.640 -7.803 397 HE1 MET 52 HE1 MET 52 -8.651 -3.785 -9.145 398 HE2 MET 52 HE2 MET 52 -7.978 -3.184 -10.659 399 HE3 MET 52 HE3 MET 52 -9.686 -2.935 -10.291 400 H GLU 53 H GLU 53 -4.669 0.084 -4.941 401 HA GLU 53 HA GLU 53 -3.679 2.695 -5.392 402 HB2 GLU 53 HB2 GLU 53 -3.916 1.045 -2.907 403 HB3 GLU 53 HB3 GLU 53 -3.381 2.712 -2.892 404 HG2 GLU 53 HG2 GLU 53 -6.054 1.727 -3.866 405 HG3 GLU 53 HG3 GLU 53 -5.754 2.496 -2.314 406 H LEU 54 H LEU 54 -2.213 -0.306 -4.353 407 HA LEU 54 HA LEU 54 0.317 0.689 -3.759 408 HB2 LEU 54 HB2 LEU 54 -0.589 -1.558 -3.188 409 HB3 LEU 54 HB3 LEU 54 -0.360 -2.016 -4.853 410 HG LEU 54 HG LEU 54 2.027 -1.811 -4.683 411 HD11 LEU 54 HD11 LEU 54 2.168 0.078 -3.161 412 HD12 LEU 54 HD12 LEU 54 3.082 -1.283 -2.500 413 HD13 LEU 54 HD13 LEU 54 1.481 -0.891 -1.867 414 HD21 LEU 54 HD21 LEU 54 0.987 -3.890 -4.005 415 HD22 LEU 54 HD22 LEU 54 0.849 -3.300 -2.351 416 HD23 LEU 54 HD23 LEU 54 2.442 -3.573 -3.063 417 H ILE 55 H ILE 55 -0.983 -0.739 -6.688 418 HA ILE 55 HA ILE 55 1.262 -0.400 -8.384 419 HB ILE 55 HB ILE 55 -1.693 -0.267 -9.145 420 HG12 ILE 55 HG12 ILE 55 0.194 -2.642 -9.235 421 HG13 ILE 55 HG13 ILE 55 -0.978 -2.350 -7.959 422 HG21 ILE 55 HG21 ILE 55 -0.953 -0.899 -11.411 423 HG22 ILE 55 HG22 ILE 55 0.725 -0.840 -10.877 424 HG23 ILE 55 HG23 ILE 55 -0.239 0.635 -10.911 425 HD11 ILE 55 HD11 ILE 55 -1.639 -2.837 -10.865 426 HD12 ILE 55 HD12 ILE 55 -2.802 -2.589 -9.557 427 HD13 ILE 55 HD13 ILE 55 -1.773 -4.011 -9.555 428 H LYS 56 H LYS 56 -1.363 1.788 -7.616 429 HA LYS 56 HA LYS 56 -0.673 4.053 -9.075 430 HB2 LYS 56 HB2 LYS 56 -2.719 4.085 -7.966 431 HB3 LYS 56 HB3 LYS 56 -2.010 3.498 -6.481 432 HG2 LYS 56 HG2 LYS 56 -1.070 5.739 -6.061 433 HG3 LYS 56 HG3 LYS 56 -1.853 6.324 -7.544 434 HD2 LYS 56 HD2 LYS 56 -4.030 5.802 -6.670 435 HD3 LYS 56 HD3 LYS 56 -3.333 4.970 -5.292 436 HE2 LYS 56 HE2 LYS 56 -2.455 7.092 -4.453 437 HE3 LYS 56 HE3 LYS 56 -3.144 7.927 -5.849 438 HZ1 LYS 56 HZ1 LYS 56 -4.789 6.352 -3.929 439 HZ2 LYS 56 HZ2 LYS 56 -5.330 7.396 -5.129 440 HZ3 LYS 56 HZ3 LYS 56 -4.559 8.016 -3.785 441 H LYS 57 H LYS 57 0.377 3.208 -5.771 442 HA LYS 57 HA LYS 57 2.094 5.390 -5.313 443 HB2 LYS 57 HB2 LYS 57 2.329 2.583 -4.219 444 HB3 LYS 57 HB3 LYS 57 3.130 3.991 -3.568 445 HG2 LYS 57 HG2 LYS 57 0.162 3.436 -3.562 446 HG3 LYS 57 HG3 LYS 57 1.280 3.352 -2.200 447 HD2 LYS 57 HD2 LYS 57 0.548 5.842 -3.736 448 HD3 LYS 57 HD3 LYS 57 -0.063 5.398 -2.149 449 HE2 LYS 57 HE2 LYS 57 2.267 5.428 -1.276 450 HE3 LYS 57 HE3 LYS 57 2.808 5.988 -2.853 451 HZ1 LYS 57 HZ1 LYS 57 1.406 7.953 -2.570 452 HZ2 LYS 57 HZ2 LYS 57 2.558 7.819 -1.334 453 HZ3 LYS 57 HZ3 LYS 57 0.961 7.412 -1.035 454 H VAL 58 H VAL 58 2.875 2.089 -6.323 455 HA VAL 58 HA VAL 58 5.639 2.504 -6.536 456 HB VAL 58 HB VAL 58 3.805 0.350 -7.493 457 HG11 VAL 58 HG11 VAL 58 5.825 -1.114 -7.609 458 HG12 VAL 58 HG12 VAL 58 6.835 0.287 -7.237 459 HG13 VAL 58 HG13 VAL 58 5.936 0.232 -8.746 460 HG21 VAL 58 HG21 VAL 58 5.528 0.636 -5.048 461 HG22 VAL 58 HG22 VAL 58 4.633 -0.820 -5.453 462 HG23 VAL 58 HG23 VAL 58 3.771 0.684 -5.119 463 H SER 59 H SER 59 3.049 2.760 -8.880 464 HA SER 59 HA SER 59 4.892 2.855 -11.059 465 HB2 SER 59 HB2 SER 59 1.979 3.659 -11.040 466 HB3 SER 59 HB3 SER 59 2.971 3.469 -12.486 467 HG SER 59 HG SER 59 2.210 1.546 -10.593 468 H ASN 60 H ASN 60 3.402 5.195 -8.925 469 HA ASN 60 HA ASN 60 4.060 7.504 -10.424 470 HB2 ASN 60 HB2 ASN 60 2.315 7.318 -8.596 471 HB3 ASN 60 HB3 ASN 60 3.642 7.265 -7.443 472 HD21 ASN 60 HD21 ASN 60 1.916 9.141 -9.681 473 HD22 ASN 60 HD22 ASN 60 2.533 10.684 -9.223 474 H ASN 61 H ASN 61 5.486 5.803 -7.701 475 HA ASN 61 HA ASN 61 7.809 7.480 -7.564 476 HB2 ASN 61 HB2 ASN 61 6.827 6.290 -5.582 477 HB3 ASN 61 HB3 ASN 61 7.283 4.762 -6.312 478 HD21 ASN 61 HD21 ASN 61 9.404 4.058 -6.123 479 HD22 ASN 61 HD22 ASN 61 10.584 4.922 -5.222 480 H THR 62 H THR 62 10.031 6.609 -7.970 481 HA THR 62 HA THR 62 10.043 5.267 -10.470 482 HB THR 62 HB THR 62 12.455 6.063 -8.805 483 HG1 THR 62 HG1 THR 62 11.161 7.887 -9.211 484 HG21 THR 62 HG21 THR 62 12.106 5.593 -11.779 485 HG22 THR 62 HG22 THR 62 12.928 4.511 -10.659 486 HG23 THR 62 HG23 THR 62 13.596 6.109 -10.989 487 H SER 63 H SER 63 9.560 3.171 -10.341 488 HA SER 63 HA SER 63 11.287 1.474 -8.719 489 HB2 SER 63 HB2 SER 63 8.334 1.019 -9.211 490 HB3 SER 63 HB3 SER 63 9.398 0.074 -8.171 491 HG SER 63 HG SER 63 8.012 2.293 -7.626 Start of MODEL 18 1 H1 GLY -3 H1 GLY -3 -1.801 2.098 24.265 2 H2 GLY -3 H2 GLY -3 -0.400 2.381 23.376 3 H3 GLY -3 H3 GLY -3 -0.681 0.850 24.037 4 HA2 GLY -3 HA3 GLY -3 -2.589 0.557 22.612 5 HA3 GLY -3 HA2 GLY -3 -2.242 2.129 21.891 6 H SER -2 H SER -2 -1.373 1.792 19.920 7 HA SER -2 HA SER -2 0.664 -0.298 19.695 8 HB2 SER -2 HB2 SER -2 -1.288 0.669 17.595 9 HB3 SER -2 HB3 SER -2 -0.019 -0.525 17.329 10 HG SER -2 HG SER -2 -1.395 -1.921 17.980 11 H ALA -1 H ALA -1 2.605 0.514 19.428 12 HA ALA -1 HA ALA -1 3.016 3.189 18.297 13 HB1 ALA -1 HB1 ALA -1 4.896 1.264 19.709 14 HB2 ALA -1 HB2 ALA -1 4.139 2.687 20.424 15 HB3 ALA -1 HB3 ALA -1 5.339 2.873 19.144 16 H SER 0 H SER 0 2.083 1.336 16.585 17 HA SER 0 HA SER 0 3.958 -0.284 15.287 18 HB2 SER 0 HB2 SER 0 1.973 -0.434 13.678 19 HB3 SER 0 HB3 SER 0 1.755 -1.005 15.338 20 HG SER 0 HG SER 0 0.953 1.496 14.261 21 H ASN 1 H ASN 1 5.324 0.249 13.729 22 HA ASN 1 HA ASN 1 5.025 2.806 12.401 23 HB2 ASN 1 HB2 ASN 1 7.291 2.255 13.248 24 HB3 ASN 1 HB3 ASN 1 7.304 0.792 12.280 25 HD21 ASN 1 HD21 ASN 1 7.791 0.953 10.106 26 HD22 ASN 1 HD22 ASN 1 8.339 2.405 9.347 27 H THR 2 H THR 2 3.135 1.998 11.578 28 HA THR 2 HA THR 2 3.345 0.139 9.377 29 HB THR 2 HB THR 2 0.942 1.446 10.676 30 HG1 THR 2 HG1 THR 2 2.072 -1.155 10.730 31 HG21 THR 2 HG21 THR 2 -0.406 -0.077 9.284 32 HG22 THR 2 HG22 THR 2 1.075 -0.666 8.515 33 HG23 THR 2 HG23 THR 2 0.568 1.001 8.277 34 H ILE 3 H ILE 3 3.695 0.849 7.481 35 HA ILE 3 HA ILE 3 2.984 3.581 6.783 36 HB ILE 3 HB ILE 3 5.309 3.552 6.888 37 HG12 ILE 3 HG12 ILE 3 4.689 3.013 3.960 38 HG13 ILE 3 HG13 ILE 3 4.530 4.559 4.775 39 HG21 ILE 3 HG21 ILE 3 6.771 1.812 5.816 40 HG22 ILE 3 HG22 ILE 3 5.297 0.829 5.650 41 HG23 ILE 3 HG23 ILE 3 5.850 1.327 7.234 42 HD11 ILE 3 HD11 ILE 3 6.951 4.626 5.120 43 HD12 ILE 3 HD12 ILE 3 6.554 4.468 3.411 44 HD13 ILE 3 HD13 ILE 3 7.119 3.068 4.318 45 H LEU 4 H LEU 4 1.146 3.407 5.660 46 HA LEU 4 HA LEU 4 0.265 1.184 4.258 47 HB2 LEU 4 HB2 LEU 4 -0.511 4.063 3.821 48 HB3 LEU 4 HB3 LEU 4 -1.414 2.651 3.329 49 HG LEU 4 HG LEU 4 -0.958 3.638 6.138 50 HD11 LEU 4 HD11 LEU 4 -3.464 3.376 4.511 51 HD12 LEU 4 HD12 LEU 4 -2.641 4.875 4.936 52 HD13 LEU 4 HD13 LEU 4 -3.380 3.882 6.197 53 HD21 LEU 4 HD21 LEU 4 -2.349 1.110 5.238 54 HD22 LEU 4 HD22 LEU 4 -2.376 1.767 6.878 55 HD23 LEU 4 HD23 LEU 4 -0.850 1.234 6.166 56 H GLY 5 H GLY 5 1.104 0.338 2.522 57 HA2 GLY 5 HA2 GLY 5 1.418 0.626 0.119 58 HA3 GLY 5 HA3 GLY 5 2.223 2.148 0.496 59 H ASP 6 H ASP 6 3.518 0.713 2.900 60 HA ASP 6 HA ASP 6 5.484 -0.706 1.308 61 HB2 ASP 6 HB2 ASP 6 6.418 1.393 2.051 62 HB3 ASP 6 HB3 ASP 6 5.921 1.074 3.705 63 H LEU 7 H LEU 7 4.780 -2.558 1.537 64 HA LEU 7 HA LEU 7 3.586 -3.644 3.896 65 HB2 LEU 7 HB2 LEU 7 4.142 -4.704 1.156 66 HB3 LEU 7 HB3 LEU 7 3.488 -5.713 2.416 67 HG LEU 7 HG LEU 7 1.453 -4.282 2.483 68 HD11 LEU 7 HD11 LEU 7 1.010 -2.656 0.778 69 HD12 LEU 7 HD12 LEU 7 2.611 -2.895 0.085 70 HD13 LEU 7 HD13 LEU 7 2.448 -2.167 1.684 71 HD21 LEU 7 HD21 LEU 7 0.581 -4.948 0.337 72 HD22 LEU 7 HD22 LEU 7 1.509 -6.241 1.115 73 HD23 LEU 7 HD23 LEU 7 2.213 -5.317 -0.209 74 H ASN 8 H ASN 8 6.599 -3.999 2.147 75 HA ASN 8 HA ASN 8 7.408 -6.185 3.904 76 HB2 ASN 8 HB2 ASN 8 9.366 -6.453 2.495 77 HB3 ASN 8 HB3 ASN 8 7.934 -6.419 1.489 78 HD21 ASN 8 HD21 ASN 8 10.552 -5.974 0.674 79 HD22 ASN 8 HD22 ASN 8 10.705 -4.333 0.141 80 H ASP 9 H ASP 9 7.403 -2.971 4.081 81 HA ASP 9 HA ASP 9 8.333 -1.461 5.370 82 HB2 ASP 9 HB2 ASP 9 7.651 -2.895 7.223 83 HB3 ASP 9 HB3 ASP 9 9.127 -3.836 7.060 84 H ASP 10 H ASP 10 9.628 -1.249 3.473 85 HA ASP 10 HA ASP 10 12.426 -1.389 4.276 86 HB2 ASP 10 HB2 ASP 10 13.185 -1.723 1.935 87 HB3 ASP 10 HB3 ASP 10 12.086 -2.979 2.483 88 H GLY 11 H GLY 11 9.950 0.588 3.860 89 HA2 GLY 11 HA2 GLY 11 10.099 2.848 4.412 90 HA3 GLY 11 HA3 GLY 11 11.770 2.853 3.866 91 H VAL 12 H VAL 12 9.862 1.391 1.563 92 HA VAL 12 HA VAL 12 9.134 3.862 0.264 93 HB VAL 12 HB VAL 12 11.492 3.804 -0.241 94 HG11 VAL 12 HG11 VAL 12 12.583 1.959 -1.432 95 HG12 VAL 12 HG12 VAL 12 11.086 1.021 -1.297 96 HG13 VAL 12 HG13 VAL 12 11.957 1.508 0.159 97 HG21 VAL 12 HG21 VAL 12 9.937 2.926 -2.678 98 HG22 VAL 12 HG22 VAL 12 11.502 3.741 -2.706 99 HG23 VAL 12 HG23 VAL 12 10.083 4.579 -2.077 100 H VAL 13 H VAL 13 7.497 3.611 -1.254 101 HA VAL 13 HA VAL 13 6.369 1.053 -1.593 102 HB VAL 13 HB VAL 13 4.824 2.255 -3.196 103 HG11 VAL 13 HG11 VAL 13 4.266 2.058 -0.834 104 HG12 VAL 13 HG12 VAL 13 3.725 3.618 -1.452 105 HG13 VAL 13 HG13 VAL 13 5.194 3.512 -0.480 106 HG21 VAL 13 HG21 VAL 13 4.894 4.724 -3.299 107 HG22 VAL 13 HG22 VAL 13 6.353 3.997 -3.966 108 HG23 VAL 13 HG23 VAL 13 6.384 4.703 -2.357 109 H ASN 14 H ASN 14 7.463 -0.373 -2.649 110 HA ASN 14 HA ASN 14 8.465 0.270 -5.299 111 HB2 ASN 14 HB2 ASN 14 10.392 -1.324 -4.946 112 HB3 ASN 14 HB3 ASN 14 10.492 0.202 -4.100 113 HD21 ASN 14 HD21 ASN 14 12.087 -0.980 -2.924 114 HD22 ASN 14 HD22 ASN 14 11.602 -1.925 -1.549 115 H GLY 15 H GLY 15 9.241 -1.984 -6.323 116 HA2 GLY 15 HA2 GLY 15 6.821 -3.279 -6.956 117 HA3 GLY 15 HA3 GLY 15 8.383 -3.809 -7.467 118 H ARG 16 H ARG 16 9.203 -3.919 -4.570 119 HA ARG 16 HA ARG 16 8.832 -6.684 -4.090 120 HB2 ARG 16 HB2 ARG 16 9.447 -4.596 -2.026 121 HB3 ARG 16 HB3 ARG 16 9.855 -6.291 -1.926 122 HG2 ARG 16 HG2 ARG 16 11.014 -4.278 -3.816 123 HG3 ARG 16 HG3 ARG 16 11.817 -4.956 -2.404 124 HD2 ARG 16 HD2 ARG 16 11.750 -7.170 -3.429 125 HD3 ARG 16 HD3 ARG 16 10.909 -6.495 -4.829 126 HE ARG 16 HE ARG 16 13.421 -5.274 -4.169 127 HH11 ARG 16 HH11 ARG 16 11.776 -7.716 -6.128 128 HH12 ARG 16 HH12 ARG 16 13.023 -7.885 -7.266 129 HH21 ARG 16 HH21 ARG 16 15.177 -5.497 -5.743 130 HH22 ARG 16 HH22 ARG 16 15.000 -6.552 -7.056 131 H ASP 17 H ASP 17 7.086 -3.827 -3.082 132 HA ASP 17 HA ASP 17 5.545 -4.995 -1.030 133 HB2 ASP 17 HB2 ASP 17 4.976 -2.586 -2.747 134 HB3 ASP 17 HB3 ASP 17 4.088 -3.027 -1.298 135 H ILE 18 H ILE 18 5.005 -4.477 -4.477 136 HA ILE 18 HA ILE 18 2.446 -5.390 -4.835 137 HB ILE 18 HB ILE 18 4.910 -5.642 -6.578 138 HG12 ILE 18 HG12 ILE 18 3.844 -4.023 -8.003 139 HG13 ILE 18 HG13 ILE 18 2.384 -4.064 -6.970 140 HG21 ILE 18 HG21 ILE 18 3.548 -6.363 -8.482 141 HG22 ILE 18 HG22 ILE 18 2.154 -6.530 -7.416 142 HG23 ILE 18 HG23 ILE 18 3.567 -7.561 -7.185 143 HD11 ILE 18 HD11 ILE 18 5.092 -3.058 -6.220 144 HD12 ILE 18 HD12 ILE 18 3.651 -3.056 -5.217 145 HD13 ILE 18 HD13 ILE 18 3.702 -2.082 -6.693 146 H VAL 19 H VAL 19 5.383 -7.207 -4.587 147 HA VAL 19 HA VAL 19 4.435 -9.803 -5.048 148 HB VAL 19 HB VAL 19 6.630 -9.055 -3.117 149 HG11 VAL 19 HG11 VAL 19 7.617 -11.204 -3.761 150 HG12 VAL 19 HG12 VAL 19 6.188 -11.551 -4.738 151 HG13 VAL 19 HG13 VAL 19 6.041 -11.381 -2.990 152 HG21 VAL 19 HG21 VAL 19 7.044 -7.892 -5.143 153 HG22 VAL 19 HG22 VAL 19 6.763 -9.347 -6.104 154 HG23 VAL 19 HG23 VAL 19 8.177 -9.238 -5.026 155 H MET 20 H MET 20 4.962 -8.072 -2.022 156 HA MET 20 HA MET 20 4.093 -10.040 -0.194 157 HB2 MET 20 HB2 MET 20 3.858 -7.058 0.226 158 HB3 MET 20 HB3 MET 20 4.045 -8.343 1.417 159 HG2 MET 20 HG2 MET 20 6.134 -7.718 -0.635 160 HG3 MET 20 HG3 MET 20 6.089 -6.910 0.914 161 HE1 MET 20 HE1 MET 20 6.875 -7.995 3.157 162 HE2 MET 20 HE2 MET 20 6.926 -9.738 3.426 163 HE3 MET 20 HE3 MET 20 5.401 -8.941 3.039 164 H MET 21 H MET 21 2.442 -7.367 -1.732 165 HA MET 21 HA MET 21 -0.094 -7.337 -0.623 166 HB2 MET 21 HB2 MET 21 0.918 -5.781 -2.333 167 HB3 MET 21 HB3 MET 21 0.667 -7.048 -3.511 168 HG2 MET 21 HG2 MET 21 -1.041 -5.586 -3.930 169 HG3 MET 21 HG3 MET 21 -1.868 -6.782 -2.951 170 HE1 MET 21 HE1 MET 21 -2.828 -6.200 -0.502 171 HE2 MET 21 HE2 MET 21 -2.452 -4.680 0.320 172 HE3 MET 21 HE3 MET 21 -1.193 -5.875 0.097 173 H ARG 22 H ARG 22 1.031 -8.999 -3.505 174 HA ARG 22 HA ARG 22 -1.328 -10.391 -4.078 175 HB2 ARG 22 HB2 ARG 22 1.493 -10.578 -4.979 176 HB3 ARG 22 HB3 ARG 22 0.293 -11.752 -5.543 177 HG2 ARG 22 HG2 ARG 22 -0.987 -10.022 -6.549 178 HG3 ARG 22 HG3 ARG 22 0.005 -8.768 -5.802 179 HD2 ARG 22 HD2 ARG 22 1.868 -9.328 -7.127 180 HD3 ARG 22 HD3 ARG 22 1.149 -10.806 -7.725 181 HE ARG 22 HE ARG 22 -0.531 -8.753 -8.472 182 HH11 ARG 22 HH11 ARG 22 2.813 -9.668 -9.080 183 HH12 ARG 22 HH12 ARG 22 2.899 -8.984 -10.639 184 HH21 ARG 22 HH21 ARG 22 -0.443 -7.792 -10.629 185 HH22 ARG 22 HH22 ARG 22 0.981 -7.892 -11.541 186 H GLN 23 H GLN 23 1.392 -11.218 -2.058 187 HA GLN 23 HA GLN 23 0.963 -14.001 -1.830 188 HB2 GLN 23 HB2 GLN 23 1.973 -12.112 0.279 189 HB3 GLN 23 HB3 GLN 23 2.201 -13.859 0.237 190 HG2 GLN 23 HG2 GLN 23 3.319 -11.923 -1.759 191 HG3 GLN 23 HG3 GLN 23 4.198 -12.556 -0.389 192 HE21 GLN 23 HE21 GLN 23 4.571 -12.869 -3.327 193 HE22 GLN 23 HE22 GLN 23 4.671 -14.594 -3.507 194 H TYR 24 H TYR 24 0.034 -11.327 0.338 195 HA TYR 24 HA TYR 24 -1.496 -12.889 2.103 196 HB2 TYR 24 HB2 TYR 24 -0.532 -10.701 2.583 197 HB3 TYR 24 HB3 TYR 24 -1.670 -9.936 1.536 198 HD1 TYR 24 HD1 TYR 24 -1.364 -11.696 4.760 199 HD2 TYR 24 HD2 TYR 24 -3.982 -9.597 2.152 200 HE1 TYR 24 HE1 TYR 24 -3.035 -11.528 6.557 201 HE2 TYR 24 HE2 TYR 24 -5.631 -9.429 3.904 202 HH TYR 24 HH TYR 24 -6.237 -10.559 5.914 203 H LEU 25 H LEU 25 -2.330 -10.947 -0.586 204 HA LEU 25 HA LEU 25 -5.156 -11.222 -0.546 205 HB2 LEU 25 HB2 LEU 25 -3.366 -10.873 -2.945 206 HB3 LEU 25 HB3 LEU 25 -5.115 -10.806 -3.023 207 HG LEU 25 HG LEU 25 -3.350 -8.933 -1.464 208 HD11 LEU 25 HD11 LEU 25 -4.838 -8.535 -4.056 209 HD12 LEU 25 HD12 LEU 25 -3.086 -8.614 -3.860 210 HD13 LEU 25 HD13 LEU 25 -3.996 -7.279 -3.157 211 HD21 LEU 25 HD21 LEU 25 -5.541 -9.131 -0.433 212 HD22 LEU 25 HD22 LEU 25 -6.312 -8.872 -2.001 213 HD23 LEU 25 HD23 LEU 25 -5.395 -7.573 -1.249 214 H ALA 26 H ALA 26 -2.738 -13.424 -1.686 215 HA ALA 26 HA ALA 26 -4.687 -15.272 -2.794 216 HB1 ALA 26 HB1 ALA 26 -1.722 -15.569 -2.397 217 HB2 ALA 26 HB2 ALA 26 -2.504 -15.024 -3.883 218 HB3 ALA 26 HB3 ALA 26 -2.749 -16.678 -3.308 219 H GLY 27 H GLY 27 -3.696 -14.496 0.234 220 HA2 GLY 27 HA2 GLY 27 -4.344 -15.461 2.211 221 HA3 GLY 27 HA3 GLY 27 -4.775 -16.907 1.304 222 H LYS 28 H LYS 28 -1.605 -15.570 0.846 223 HA LYS 28 HA LYS 28 -0.472 -17.948 2.050 224 HB2 LYS 28 HB2 LYS 28 0.979 -15.721 0.546 225 HB3 LYS 28 HB3 LYS 28 1.579 -17.299 0.951 226 HG2 LYS 28 HG2 LYS 28 -0.049 -18.339 -0.539 227 HG3 LYS 28 HG3 LYS 28 -0.717 -16.738 -0.894 228 HD2 LYS 28 HD2 LYS 28 0.738 -17.266 -2.697 229 HD3 LYS 28 HD3 LYS 28 1.562 -16.089 -1.669 230 HE2 LYS 28 HE2 LYS 28 2.782 -17.953 -0.578 231 HE3 LYS 28 HE3 LYS 28 2.031 -19.057 -1.729 232 HZ1 LYS 28 HZ1 LYS 28 4.241 -18.399 -2.400 233 HZ2 LYS 28 HZ2 LYS 28 3.783 -16.781 -2.375 234 HZ3 LYS 28 HZ3 LYS 28 3.106 -17.826 -3.527 235 H THR 29 H THR 29 1.323 -17.759 3.492 236 HA THR 29 HA THR 29 0.940 -15.615 5.426 237 HB THR 29 HB THR 29 2.759 -18.044 5.615 238 HG1 THR 29 HG1 THR 29 0.012 -17.704 6.306 239 HG21 THR 29 HG21 THR 29 3.202 -16.241 7.235 240 HG22 THR 29 HG22 THR 29 2.557 -17.669 8.042 241 HG23 THR 29 HG23 THR 29 1.512 -16.278 7.738 242 H VAL 30 H VAL 30 2.224 -13.844 5.165 243 HA VAL 30 HA VAL 30 4.555 -14.182 3.475 244 HB VAL 30 HB VAL 30 3.587 -11.532 4.309 245 HG11 VAL 30 HG11 VAL 30 5.501 -11.730 2.847 246 HG12 VAL 30 HG12 VAL 30 4.165 -10.971 1.968 247 HG13 VAL 30 HG13 VAL 30 4.540 -12.673 1.708 248 HG21 VAL 30 HG21 VAL 30 1.447 -12.548 3.834 249 HG22 VAL 30 HG22 VAL 30 2.056 -13.194 2.310 250 HG23 VAL 30 HG23 VAL 30 1.870 -11.451 2.513 251 H SER 31 H SER 31 6.394 -14.308 4.547 252 HA SER 31 HA SER 31 6.618 -13.563 7.293 253 HB2 SER 31 HB2 SER 31 7.816 -15.519 6.335 254 HB3 SER 31 HB3 SER 31 8.752 -14.426 5.327 255 HG SER 31 HG SER 31 8.712 -14.183 8.152 256 H GLY 32 H GLY 32 7.231 -11.679 8.085 257 HA2 GLY 32 HA2 GLY 32 8.364 -9.703 8.309 258 HA3 GLY 32 HA3 GLY 32 9.126 -9.992 6.754 259 H ILE 33 H ILE 33 5.641 -9.968 7.264 260 HA ILE 33 HA ILE 33 5.605 -7.615 5.559 261 HB ILE 33 HB ILE 33 4.413 -9.749 4.756 262 HG12 ILE 33 HG12 ILE 33 2.667 -7.317 5.124 263 HG13 ILE 33 HG13 ILE 33 3.914 -7.447 3.916 264 HG21 ILE 33 HG21 ILE 33 3.474 -10.516 6.849 265 HG22 ILE 33 HG22 ILE 33 2.200 -10.240 5.657 266 HG23 ILE 33 HG23 ILE 33 2.468 -9.068 6.947 267 HD11 ILE 33 HD11 ILE 33 2.714 -9.451 2.987 268 HD12 ILE 33 HD12 ILE 33 1.803 -7.960 2.842 269 HD13 ILE 33 HD13 ILE 33 1.400 -9.121 4.111 270 H ASP 34 H ASP 34 4.501 -5.823 6.200 271 HA ASP 34 HA ASP 34 3.480 -5.812 8.961 272 HB2 ASP 34 HB2 ASP 34 4.801 -3.746 7.974 273 HB3 ASP 34 HB3 ASP 34 3.374 -3.507 7.002 274 H LYS 35 H LYS 35 1.632 -6.880 8.899 275 HA LYS 35 HA LYS 35 0.043 -7.274 6.645 276 HB2 LYS 35 HB2 LYS 35 0.258 -8.680 8.722 277 HB3 LYS 35 HB3 LYS 35 -0.851 -7.560 9.493 278 HG2 LYS 35 HG2 LYS 35 -2.500 -8.099 7.661 279 HG3 LYS 35 HG3 LYS 35 -1.393 -9.357 7.157 280 HD2 LYS 35 HD2 LYS 35 -2.613 -9.190 9.916 281 HD3 LYS 35 HD3 LYS 35 -3.160 -10.264 8.632 282 HE2 LYS 35 HE2 LYS 35 -0.994 -11.398 8.645 283 HE3 LYS 35 HE3 LYS 35 -0.401 -10.287 9.872 284 HZ1 LYS 35 HZ1 LYS 35 -2.123 -11.139 11.381 285 HZ2 LYS 35 HZ2 LYS 35 -1.091 -12.363 10.894 286 HZ3 LYS 35 HZ3 LYS 35 -2.621 -12.244 10.224 287 H ASN 36 H ASN 36 0.137 -4.604 8.777 288 HA ASN 36 HA ASN 36 -2.619 -3.804 8.448 289 HB2 ASN 36 HB2 ASN 36 -0.383 -2.186 9.639 290 HB3 ASN 36 HB3 ASN 36 -2.108 -2.082 9.963 291 HD21 ASN 36 HD21 ASN 36 0.825 -3.688 10.588 292 HD22 ASN 36 HD22 ASN 36 0.316 -4.623 11.960 293 H ALA 37 H ALA 37 0.531 -3.313 7.025 294 HA ALA 37 HA ALA 37 0.090 -0.657 5.995 295 HB1 ALA 37 HB1 ALA 37 2.327 -1.452 6.578 296 HB2 ALA 37 HB2 ALA 37 2.232 -0.961 4.884 297 HB3 ALA 37 HB3 ALA 37 2.214 -2.673 5.308 298 H LEU 38 H LEU 38 -1.030 -3.576 5.143 299 HA LEU 38 HA LEU 38 -0.934 -3.411 2.291 300 HB2 LEU 38 HB2 LEU 38 -2.458 -5.157 4.180 301 HB3 LEU 38 HB3 LEU 38 -2.717 -5.207 2.458 302 HG LEU 38 HG LEU 38 -0.323 -5.863 2.189 303 HD11 LEU 38 HD11 LEU 38 0.803 -6.748 4.105 304 HD12 LEU 38 HD12 LEU 38 -0.489 -6.101 5.132 305 HD13 LEU 38 HD13 LEU 38 0.542 -5.005 4.222 306 HD21 LEU 38 HD21 LEU 38 -2.058 -7.478 2.103 307 HD22 LEU 38 HD22 LEU 38 -2.107 -7.551 3.861 308 HD23 LEU 38 HD23 LEU 38 -0.679 -8.127 3.000 309 H ASP 39 H ASP 39 -2.937 -2.084 4.770 310 HA ASP 39 HA ASP 39 -5.083 -1.946 2.859 311 HB2 ASP 39 HB2 ASP 39 -5.356 -2.554 5.335 312 HB3 ASP 39 HB3 ASP 39 -5.331 -0.793 5.606 313 H ILE 40 H ILE 40 -3.991 -0.731 1.545 314 HA ILE 40 HA ILE 40 -2.816 1.781 2.175 315 HB ILE 40 HB ILE 40 -3.390 0.573 -0.553 316 HG12 ILE 40 HG12 ILE 40 -0.916 0.365 1.126 317 HG13 ILE 40 HG13 ILE 40 -2.153 -0.871 1.143 318 HG21 ILE 40 HG21 ILE 40 -1.326 2.580 0.402 319 HG22 ILE 40 HG22 ILE 40 -2.773 2.958 -0.534 320 HG23 ILE 40 HG23 ILE 40 -1.496 1.968 -1.250 321 HD11 ILE 40 HD11 ILE 40 -0.323 -1.490 -0.312 322 HD12 ILE 40 HD12 ILE 40 -0.584 -0.027 -1.276 323 HD13 ILE 40 HD13 ILE 40 -1.823 -1.283 -1.202 324 H ASN 41 H ASN 41 -5.852 0.710 0.792 325 HA ASN 41 HA ASN 41 -6.574 3.433 0.092 326 HB2 ASN 41 HB2 ASN 41 -8.623 2.600 -0.859 327 HB3 ASN 41 HB3 ASN 41 -7.394 1.425 -1.283 328 HD21 ASN 41 HD21 ASN 41 -10.166 0.875 -1.364 329 HD22 ASN 41 HD22 ASN 41 -10.519 -0.236 -0.090 330 H GLY 42 H GLY 42 -6.502 1.695 2.889 331 HA2 GLY 42 HA2 GLY 42 -7.219 2.073 5.018 332 HA3 GLY 42 HA3 GLY 42 -7.574 3.710 4.496 333 H ASP 43 H ASP 43 -8.976 0.499 3.912 334 HA ASP 43 HA ASP 43 -11.609 1.684 4.560 335 HB2 ASP 43 HB2 ASP 43 -12.749 0.107 3.024 336 HB3 ASP 43 HB3 ASP 43 -11.592 1.103 2.165 337 H GLY 44 H GLY 44 -9.402 -0.812 5.281 338 HA2 GLY 44 HA2 GLY 44 -9.549 -1.808 7.452 339 HA3 GLY 44 HA3 GLY 44 -11.296 -1.728 7.313 340 H ALA 45 H ALA 45 -10.147 -2.802 4.382 341 HA ALA 45 HA ALA 45 -9.761 -5.583 5.191 342 HB1 ALA 45 HB1 ALA 45 -12.143 -5.486 4.717 343 HB2 ALA 45 HB2 ALA 45 -11.234 -6.396 3.483 344 HB3 ALA 45 HB3 ALA 45 -11.780 -4.749 3.138 345 H VAL 46 H VAL 46 -8.293 -6.577 3.924 346 HA VAL 46 HA VAL 46 -6.908 -4.927 2.066 347 HB VAL 46 HB VAL 46 -6.433 -7.720 3.043 348 HG11 VAL 46 HG11 VAL 46 -5.328 -7.240 0.951 349 HG12 VAL 46 HG12 VAL 46 -4.130 -7.310 2.278 350 HG13 VAL 46 HG13 VAL 46 -4.673 -5.744 1.645 351 HG21 VAL 46 HG21 VAL 46 -6.338 -6.133 4.884 352 HG22 VAL 46 HG22 VAL 46 -5.182 -5.140 3.992 353 HG23 VAL 46 HG23 VAL 46 -4.733 -6.766 4.516 354 H ASN 47 H ASN 47 -7.603 -4.884 0.103 355 HA ASN 47 HA ASN 47 -8.601 -7.287 -1.180 356 HB2 ASN 47 HB2 ASN 47 -10.418 -5.742 -2.179 357 HB3 ASN 47 HB3 ASN 47 -10.631 -6.338 -0.532 358 HD21 ASN 47 HD21 ASN 47 -11.752 -4.751 0.386 359 HD22 ASN 47 HD22 ASN 47 -11.236 -3.127 0.570 360 H GLY 48 H GLY 48 -9.102 -6.589 -3.601 361 HA2 GLY 48 HA2 GLY 48 -6.621 -5.963 -4.733 362 HA3 GLY 48 HA3 GLY 48 -8.116 -6.090 -5.631 363 H ARG 49 H ARG 49 -9.028 -3.942 -3.563 364 HA ARG 49 HA ARG 49 -8.631 -1.713 -5.278 365 HB2 ARG 49 HB2 ARG 49 -9.618 -1.598 -2.430 366 HB3 ARG 49 HB3 ARG 49 -9.948 -0.468 -3.739 367 HG2 ARG 49 HG2 ARG 49 -11.050 -2.499 -4.906 368 HG3 ARG 49 HG3 ARG 49 -10.935 -3.209 -3.306 369 HD2 ARG 49 HD2 ARG 49 -12.286 -0.605 -3.767 370 HD3 ARG 49 HD3 ARG 49 -13.147 -2.135 -3.855 371 HE ARG 49 HE ARG 49 -11.684 -1.680 -1.400 372 HH11 ARG 49 HH11 ARG 49 -14.827 -1.388 -3.039 373 HH12 ARG 49 HH12 ARG 49 -15.697 -1.179 -1.583 374 HH21 ARG 49 HH21 ARG 49 -12.924 -1.351 0.548 375 HH22 ARG 49 HH22 ARG 49 -14.629 -1.131 0.446 376 H ASP 50 H ASP 50 -7.110 -2.919 -2.312 377 HA ASP 50 HA ASP 50 -5.505 -0.608 -1.810 378 HB2 ASP 50 HB2 ASP 50 -5.100 -3.480 -1.031 379 HB3 ASP 50 HB3 ASP 50 -4.215 -2.104 -0.389 380 H LEU 51 H LEU 51 -5.209 -3.634 -3.435 381 HA LEU 51 HA LEU 51 -2.541 -3.569 -4.244 382 HB2 LEU 51 HB2 LEU 51 -3.782 -5.579 -4.521 383 HB3 LEU 51 HB3 LEU 51 -4.983 -4.777 -5.499 384 HG LEU 51 HG LEU 51 -3.401 -4.628 -7.364 385 HD11 LEU 51 HD11 LEU 51 -1.249 -5.705 -7.332 386 HD12 LEU 51 HD12 LEU 51 -1.508 -6.285 -5.704 387 HD13 LEU 51 HD13 LEU 51 -1.284 -4.550 -5.996 388 HD21 LEU 51 HD21 LEU 51 -4.857 -6.550 -7.150 389 HD22 LEU 51 HD22 LEU 51 -3.626 -7.364 -6.176 390 HD23 LEU 51 HD23 LEU 51 -3.307 -6.995 -7.872 391 H MET 52 H MET 52 -5.426 -2.320 -5.867 392 HA MET 52 HA MET 52 -4.132 -1.182 -8.094 393 HB2 MET 52 HB2 MET 52 -6.688 -0.340 -6.722 394 HB3 MET 52 HB3 MET 52 -6.117 0.378 -8.219 395 HG2 MET 52 HG2 MET 52 -6.244 -1.792 -9.316 396 HG3 MET 52 HG3 MET 52 -6.790 -2.521 -7.811 397 HE1 MET 52 HE1 MET 52 -9.977 -2.553 -10.129 398 HE2 MET 52 HE2 MET 52 -8.885 -3.537 -9.154 399 HE3 MET 52 HE3 MET 52 -8.297 -2.763 -10.627 400 H GLU 53 H GLU 53 -4.733 0.128 -4.890 401 HA GLU 53 HA GLU 53 -3.722 2.728 -5.302 402 HB2 GLU 53 HB2 GLU 53 -3.735 1.022 -2.824 403 HB3 GLU 53 HB3 GLU 53 -3.346 2.734 -2.845 404 HG2 GLU 53 HG2 GLU 53 -5.948 1.491 -3.629 405 HG3 GLU 53 HG3 GLU 53 -5.638 2.260 -2.084 406 H LEU 54 H LEU 54 -2.223 -0.273 -4.202 407 HA LEU 54 HA LEU 54 0.316 0.697 -3.708 408 HB2 LEU 54 HB2 LEU 54 -0.601 -1.539 -3.094 409 HB3 LEU 54 HB3 LEU 54 -0.381 -2.019 -4.750 410 HG LEU 54 HG LEU 54 2.011 -1.821 -4.600 411 HD11 LEU 54 HD11 LEU 54 1.529 -0.909 -1.764 412 HD12 LEU 54 HD12 LEU 54 2.179 0.078 -3.076 413 HD13 LEU 54 HD13 LEU 54 3.102 -1.288 -2.460 414 HD21 LEU 54 HD21 LEU 54 2.438 -3.570 -2.970 415 HD22 LEU 54 HD22 LEU 54 0.975 -3.897 -3.902 416 HD23 LEU 54 HD23 LEU 54 0.851 -3.296 -2.252 417 H ILE 55 H ILE 55 -0.988 -0.784 -6.609 418 HA ILE 55 HA ILE 55 1.258 -0.531 -8.336 419 HB ILE 55 HB ILE 55 -1.684 -0.308 -9.073 420 HG12 ILE 55 HG12 ILE 55 0.114 -2.752 -9.136 421 HG13 ILE 55 HG13 ILE 55 -1.087 -2.418 -7.902 422 HG21 ILE 55 HG21 ILE 55 -0.988 -0.994 -11.348 423 HG22 ILE 55 HG22 ILE 55 0.697 -0.948 -10.834 424 HG23 ILE 55 HG23 ILE 55 -0.252 0.540 -10.874 425 HD11 ILE 55 HD11 ILE 55 -1.659 -2.884 -10.823 426 HD12 ILE 55 HD12 ILE 55 -2.864 -2.574 -9.569 427 HD13 ILE 55 HD13 ILE 55 -1.902 -4.043 -9.516 428 H LYS 56 H LYS 56 -1.286 1.766 -7.590 429 HA LYS 56 HA LYS 56 -0.469 3.888 -9.215 430 HB2 LYS 56 HB2 LYS 56 -2.568 4.046 -8.221 431 HB3 LYS 56 HB3 LYS 56 -1.944 3.669 -6.627 432 HG2 LYS 56 HG2 LYS 56 -0.915 5.847 -6.472 433 HG3 LYS 56 HG3 LYS 56 -1.504 6.285 -8.091 434 HD2 LYS 56 HD2 LYS 56 -3.195 5.579 -5.685 435 HD3 LYS 56 HD3 LYS 56 -2.873 7.213 -6.257 436 HE2 LYS 56 HE2 LYS 56 -4.316 5.059 -7.814 437 HE3 LYS 56 HE3 LYS 56 -5.083 6.398 -6.969 438 HZ1 LYS 56 HZ1 LYS 56 -3.209 6.659 -9.269 439 HZ2 LYS 56 HZ2 LYS 56 -3.912 7.932 -8.435 440 HZ3 LYS 56 HZ3 LYS 56 -4.877 6.887 -9.306 441 H LYS 57 H LYS 57 0.405 3.164 -5.851 442 HA LYS 57 HA LYS 57 2.098 5.369 -5.353 443 HB2 LYS 57 HB2 LYS 57 2.397 2.602 -4.167 444 HB3 LYS 57 HB3 LYS 57 2.963 4.104 -3.476 445 HG2 LYS 57 HG2 LYS 57 0.085 3.248 -3.786 446 HG3 LYS 57 HG3 LYS 57 1.053 3.250 -2.309 447 HD2 LYS 57 HD2 LYS 57 0.387 5.723 -3.906 448 HD3 LYS 57 HD3 LYS 57 -0.555 5.152 -2.541 449 HE2 LYS 57 HE2 LYS 57 1.401 5.304 -1.066 450 HE3 LYS 57 HE3 LYS 57 2.378 5.899 -2.403 451 HZ1 LYS 57 HZ1 LYS 57 1.604 7.679 -0.998 452 HZ2 LYS 57 HZ2 LYS 57 -0.001 7.238 -1.257 453 HZ3 LYS 57 HZ3 LYS 57 0.942 7.819 -2.549 454 H VAL 58 H VAL 58 2.852 2.073 -6.285 455 HA VAL 58 HA VAL 58 5.624 2.414 -6.413 456 HB VAL 58 HB VAL 58 3.725 0.282 -7.312 457 HG11 VAL 58 HG11 VAL 58 6.751 0.135 -7.283 458 HG12 VAL 58 HG12 VAL 58 5.738 0.109 -8.726 459 HG13 VAL 58 HG13 VAL 58 5.657 -1.219 -7.568 460 HG21 VAL 58 HG21 VAL 58 4.627 -0.845 -5.315 461 HG22 VAL 58 HG22 VAL 58 3.875 0.711 -4.953 462 HG23 VAL 58 HG23 VAL 58 5.627 0.571 -5.006 463 H SER 59 H SER 59 3.139 2.527 -8.910 464 HA SER 59 HA SER 59 5.085 2.538 -10.977 465 HB2 SER 59 HB2 SER 59 2.156 3.265 -11.153 466 HB3 SER 59 HB3 SER 59 3.226 3.002 -12.536 467 HG SER 59 HG SER 59 2.163 1.224 -10.705 468 H ASN 60 H ASN 60 3.888 4.903 -8.895 469 HA ASN 60 HA ASN 60 4.580 7.103 -10.648 470 HB2 ASN 60 HB2 ASN 60 2.481 7.229 -9.429 471 HB3 ASN 60 HB3 ASN 60 3.325 6.973 -7.909 472 HD21 ASN 60 HD21 ASN 60 4.374 8.652 -6.974 473 HD22 ASN 60 HD22 ASN 60 4.219 10.278 -7.544 474 H ASN 61 H ASN 61 5.714 5.358 -7.829 475 HA ASN 61 HA ASN 61 7.755 7.408 -7.440 476 HB2 ASN 61 HB2 ASN 61 6.279 7.110 -5.526 477 HB3 ASN 61 HB3 ASN 61 6.703 5.407 -5.455 478 HD21 ASN 61 HD21 ASN 61 8.548 4.811 -4.389 479 HD22 ASN 61 HD22 ASN 61 9.591 5.929 -3.604 480 H THR 62 H THR 62 7.746 3.797 -6.772 481 HA THR 62 HA THR 62 10.247 3.652 -8.217 482 HB THR 62 HB THR 62 10.077 3.005 -5.250 483 HG1 THR 62 HG1 THR 62 10.813 5.172 -6.674 484 HG21 THR 62 HG21 THR 62 12.479 2.452 -5.415 485 HG22 THR 62 HG22 THR 62 12.425 2.728 -7.155 486 HG23 THR 62 HG23 THR 62 11.522 1.391 -6.449 487 H SER 63 H SER 63 10.408 1.717 -9.234 488 HA SER 63 HA SER 63 8.877 -0.534 -8.194 489 HB2 SER 63 HB2 SER 63 7.845 0.386 -10.295 490 HB3 SER 63 HB3 SER 63 9.385 0.163 -11.118 491 HG SER 63 HG SER 63 9.067 -1.912 -11.223 Start of MODEL 19 1 H1 GLY -3 H1 GLY -3 -6.318 3.778 9.955 2 H2 GLY -3 H2 GLY -3 -7.548 3.286 10.993 3 H3 GLY -3 H3 GLY -3 -6.964 2.227 9.806 4 HA2 GLY -3 HA3 GLY -3 -6.091 1.643 11.953 5 HA3 GLY -3 HA2 GLY -3 -4.824 2.182 10.853 6 H SER -2 H SER -2 -5.634 2.345 13.932 7 HA SER -2 HA SER -2 -5.476 5.192 14.256 8 HB2 SER -2 HB2 SER -2 -5.903 4.576 16.655 9 HB3 SER -2 HB3 SER -2 -7.178 4.165 15.509 10 HG SER -2 HG SER -2 -5.699 2.587 17.099 11 H ALA -1 H ALA -1 -3.371 2.498 14.369 12 HA ALA -1 HA ALA -1 -1.505 3.723 16.200 13 HB1 ALA -1 HB1 ALA -1 -1.188 1.278 14.457 14 HB2 ALA -1 HB2 ALA -1 -1.741 1.275 16.131 15 HB3 ALA -1 HB3 ALA -1 -0.094 1.776 15.746 16 H SER 0 H SER 0 -0.482 5.517 15.468 17 HA SER 0 HA SER 0 0.202 5.749 12.686 18 HB2 SER 0 HB2 SER 0 0.747 7.637 14.989 19 HB3 SER 0 HB3 SER 0 0.962 7.999 13.278 20 HG SER 0 HG SER 0 -1.425 7.114 13.410 21 H ASN 1 H ASN 1 1.471 3.796 12.982 22 HA ASN 1 HA ASN 1 4.302 4.455 13.110 23 HB2 ASN 1 HB2 ASN 1 3.596 3.680 15.425 24 HB3 ASN 1 HB3 ASN 1 3.094 2.165 14.701 25 HD21 ASN 1 HD21 ASN 1 6.022 3.956 13.876 26 HD22 ASN 1 HD22 ASN 1 7.119 2.780 14.468 27 H THR 2 H THR 2 2.005 3.650 11.275 28 HA THR 2 HA THR 2 3.138 1.243 10.119 29 HB THR 2 HB THR 2 0.243 2.072 10.366 30 HG1 THR 2 HG1 THR 2 1.772 -0.009 11.572 31 HG21 THR 2 HG21 THR 2 1.429 -0.387 9.089 32 HG22 THR 2 HG22 THR 2 0.786 1.015 8.239 33 HG23 THR 2 HG23 THR 2 -0.298 0.013 9.211 34 H ILE 3 H ILE 3 3.639 1.532 8.022 35 HA ILE 3 HA ILE 3 2.837 4.035 6.775 36 HB ILE 3 HB ILE 3 5.197 3.959 7.065 37 HG12 ILE 3 HG12 ILE 3 4.650 3.254 4.166 38 HG13 ILE 3 HG13 ILE 3 4.503 4.855 4.880 39 HG21 ILE 3 HG21 ILE 3 6.642 2.153 6.140 40 HG22 ILE 3 HG22 ILE 3 5.166 1.193 5.919 41 HG23 ILE 3 HG23 ILE 3 5.647 1.715 7.527 42 HD11 ILE 3 HD11 ILE 3 6.586 4.616 3.611 43 HD12 ILE 3 HD12 ILE 3 7.065 3.274 4.646 44 HD13 ILE 3 HD13 ILE 3 6.898 4.891 5.321 45 H LEU 4 H LEU 4 1.040 3.641 5.643 46 HA LEU 4 HA LEU 4 0.361 1.211 4.437 47 HB2 LEU 4 HB2 LEU 4 -0.664 3.978 3.812 48 HB3 LEU 4 HB3 LEU 4 -1.427 2.470 3.396 49 HG LEU 4 HG LEU 4 -1.094 3.624 6.156 50 HD11 LEU 4 HD11 LEU 4 -2.873 4.648 4.892 51 HD12 LEU 4 HD12 LEU 4 -3.535 3.636 6.175 52 HD13 LEU 4 HD13 LEU 4 -3.543 3.063 4.508 53 HD21 LEU 4 HD21 LEU 4 -2.243 0.958 5.339 54 HD22 LEU 4 HD22 LEU 4 -2.313 1.659 6.964 55 HD23 LEU 4 HD23 LEU 4 -0.750 1.249 6.243 56 H GLY 5 H GLY 5 0.972 0.354 2.601 57 HA2 GLY 5 HA2 GLY 5 1.403 0.530 0.270 58 HA3 GLY 5 HA3 GLY 5 2.116 2.116 0.546 59 H ASP 6 H ASP 6 3.420 0.699 3.075 60 HA ASP 6 HA ASP 6 5.484 -0.627 1.521 61 HB2 ASP 6 HB2 ASP 6 6.321 1.502 2.269 62 HB3 ASP 6 HB3 ASP 6 5.831 1.172 3.920 63 H LEU 7 H LEU 7 4.782 -2.521 1.713 64 HA LEU 7 HA LEU 7 3.667 -3.705 4.060 65 HB2 LEU 7 HB2 LEU 7 4.226 -4.654 1.284 66 HB3 LEU 7 HB3 LEU 7 3.594 -5.712 2.513 67 HG LEU 7 HG LEU 7 1.541 -4.304 2.640 68 HD11 LEU 7 HD11 LEU 7 2.478 -2.156 1.882 69 HD12 LEU 7 HD12 LEU 7 1.050 -2.650 0.978 70 HD13 LEU 7 HD13 LEU 7 2.648 -2.831 0.259 71 HD21 LEU 7 HD21 LEU 7 0.650 -4.950 0.493 72 HD22 LEU 7 HD22 LEU 7 1.616 -6.237 1.236 73 HD23 LEU 7 HD23 LEU 7 2.281 -5.278 -0.082 74 H ASN 8 H ASN 8 6.675 -3.902 2.315 75 HA ASN 8 HA ASN 8 7.630 -6.130 3.999 76 HB2 ASN 8 HB2 ASN 8 9.480 -6.320 2.458 77 HB3 ASN 8 HB3 ASN 8 7.973 -6.299 1.559 78 HD21 ASN 8 HD21 ASN 8 10.551 -5.753 0.704 79 HD22 ASN 8 HD22 ASN 8 10.656 -4.133 0.092 80 H ASP 9 H ASP 9 7.390 -3.136 4.477 81 HA ASP 9 HA ASP 9 8.372 -1.434 5.421 82 HB2 ASP 9 HB2 ASP 9 9.162 -1.712 7.703 83 HB3 ASP 9 HB3 ASP 9 7.872 -2.856 7.413 84 H ASP 10 H ASP 10 9.601 -1.255 3.458 85 HA ASP 10 HA ASP 10 12.395 -1.121 4.225 86 HB2 ASP 10 HB2 ASP 10 13.190 -1.529 1.949 87 HB3 ASP 10 HB3 ASP 10 12.168 -2.834 2.521 88 H GLY 11 H GLY 11 9.868 0.683 3.905 89 HA2 GLY 11 HA2 GLY 11 9.942 2.931 4.398 90 HA3 GLY 11 HA3 GLY 11 11.604 2.992 3.842 91 H VAL 12 H VAL 12 9.649 1.532 1.550 92 HA VAL 12 HA VAL 12 8.850 4.004 0.292 93 HB VAL 12 HB VAL 12 11.252 3.927 -0.140 94 HG11 VAL 12 HG11 VAL 12 11.648 1.617 0.038 95 HG12 VAL 12 HG12 VAL 12 12.302 2.182 -1.505 96 HG13 VAL 12 HG13 VAL 12 10.794 1.257 -1.460 97 HG21 VAL 12 HG21 VAL 12 9.882 4.958 -1.862 98 HG22 VAL 12 HG22 VAL 12 9.634 3.395 -2.633 99 HG23 VAL 12 HG23 VAL 12 11.243 4.120 -2.608 100 H VAL 13 H VAL 13 7.386 3.668 -1.489 101 HA VAL 13 HA VAL 13 6.266 1.085 -1.606 102 HB VAL 13 HB VAL 13 4.722 2.161 -3.322 103 HG11 VAL 13 HG11 VAL 13 3.538 3.548 -1.661 104 HG12 VAL 13 HG12 VAL 13 4.982 3.537 -0.649 105 HG13 VAL 13 HG13 VAL 13 4.113 2.037 -0.962 106 HG21 VAL 13 HG21 VAL 13 6.203 4.682 -2.549 107 HG22 VAL 13 HG22 VAL 13 4.738 4.622 -3.519 108 HG23 VAL 13 HG23 VAL 13 6.230 3.913 -4.130 109 H ASN 14 H ASN 14 7.430 -0.425 -2.641 110 HA ASN 14 HA ASN 14 8.434 0.186 -5.295 111 HB2 ASN 14 HB2 ASN 14 10.434 -1.209 -4.850 112 HB3 ASN 14 HB3 ASN 14 10.413 0.239 -3.895 113 HD21 ASN 14 HD21 ASN 14 11.970 -1.914 -3.382 114 HD22 ASN 14 HD22 ASN 14 11.488 -2.488 -1.819 115 H GLY 15 H GLY 15 9.231 -2.078 -6.278 116 HA2 GLY 15 HA2 GLY 15 6.832 -3.410 -6.897 117 HA3 GLY 15 HA3 GLY 15 8.384 -3.966 -7.384 118 H ARG 16 H ARG 16 9.173 -4.004 -4.513 119 HA ARG 16 HA ARG 16 8.726 -6.708 -3.908 120 HB2 ARG 16 HB2 ARG 16 9.599 -4.415 -2.205 121 HB3 ARG 16 HB3 ARG 16 9.607 -6.082 -1.659 122 HG2 ARG 16 HG2 ARG 16 11.132 -4.996 -3.992 123 HG3 ARG 16 HG3 ARG 16 11.810 -5.289 -2.388 124 HD2 ARG 16 HD2 ARG 16 11.102 -7.690 -2.618 125 HD3 ARG 16 HD3 ARG 16 10.668 -7.352 -4.289 126 HE ARG 16 HE ARG 16 13.192 -6.530 -4.196 127 HH11 ARG 16 HH11 ARG 16 11.659 -9.561 -3.148 128 HH12 ARG 16 HH12 ARG 16 13.072 -10.490 -3.330 129 HH21 ARG 16 HH21 ARG 16 15.106 -7.841 -4.457 130 HH22 ARG 16 HH22 ARG 16 15.053 -9.517 -4.131 131 H ASP 17 H ASP 17 6.979 -3.788 -3.023 132 HA ASP 17 HA ASP 17 5.477 -4.942 -0.922 133 HB2 ASP 17 HB2 ASP 17 4.891 -2.557 -2.668 134 HB3 ASP 17 HB3 ASP 17 3.991 -2.986 -1.228 135 H ILE 18 H ILE 18 5.004 -4.468 -4.365 136 HA ILE 18 HA ILE 18 2.454 -5.405 -4.756 137 HB ILE 18 HB ILE 18 4.943 -5.626 -6.466 138 HG12 ILE 18 HG12 ILE 18 3.852 -4.025 -7.917 139 HG13 ILE 18 HG13 ILE 18 2.417 -4.037 -6.858 140 HG21 ILE 18 HG21 ILE 18 2.198 -6.518 -7.322 141 HG22 ILE 18 HG22 ILE 18 3.606 -7.545 -7.068 142 HG23 ILE 18 HG23 ILE 18 3.604 -6.361 -8.381 143 HD11 ILE 18 HD11 ILE 18 3.696 -2.997 -5.152 144 HD12 ILE 18 HD12 ILE 18 3.814 -2.059 -6.654 145 HD13 ILE 18 HD13 ILE 18 5.151 -3.086 -6.126 146 H VAL 19 H VAL 19 5.418 -7.205 -4.461 147 HA VAL 19 HA VAL 19 4.463 -9.813 -4.922 148 HB VAL 19 HB VAL 19 6.628 -9.134 -2.929 149 HG11 VAL 19 HG11 VAL 19 5.962 -11.465 -2.940 150 HG12 VAL 19 HG12 VAL 19 7.592 -11.290 -3.588 151 HG13 VAL 19 HG13 VAL 19 6.234 -11.558 -4.680 152 HG21 VAL 19 HG21 VAL 19 6.914 -9.378 -5.920 153 HG22 VAL 19 HG22 VAL 19 8.242 -9.200 -4.755 154 HG23 VAL 19 HG23 VAL 19 7.068 -7.905 -4.960 155 H MET 20 H MET 20 5.027 -8.098 -1.892 156 HA MET 20 HA MET 20 4.096 -10.028 -0.057 157 HB2 MET 20 HB2 MET 20 3.838 -7.048 0.341 158 HB3 MET 20 HB3 MET 20 4.035 -8.310 1.553 159 HG2 MET 20 HG2 MET 20 6.125 -7.615 -0.488 160 HG3 MET 20 HG3 MET 20 6.061 -6.880 1.095 161 HE1 MET 20 HE1 MET 20 5.410 -9.124 3.111 162 HE2 MET 20 HE2 MET 20 6.792 -8.050 3.292 163 HE3 MET 20 HE3 MET 20 7.004 -9.792 3.463 164 H MET 21 H MET 21 2.470 -7.360 -1.635 165 HA MET 21 HA MET 21 -0.089 -7.323 -0.564 166 HB2 MET 21 HB2 MET 21 0.938 -5.745 -2.234 167 HB3 MET 21 HB3 MET 21 0.736 -7.013 -3.432 168 HG2 MET 21 HG2 MET 21 -0.986 -5.594 -3.897 169 HG3 MET 21 HG3 MET 21 -1.803 -6.791 -2.914 170 HE1 MET 21 HE1 MET 21 -1.150 -5.830 0.133 171 HE2 MET 21 HE2 MET 21 -2.779 -6.191 -0.449 172 HE3 MET 21 HE3 MET 21 -2.434 -4.655 0.351 173 H ARG 22 H ARG 22 1.065 -8.925 -3.457 174 HA ARG 22 HA ARG 22 -1.234 -10.301 -4.185 175 HB2 ARG 22 HB2 ARG 22 1.646 -10.590 -4.792 176 HB3 ARG 22 HB3 ARG 22 0.481 -11.743 -5.454 177 HG2 ARG 22 HG2 ARG 22 -0.630 -9.918 -6.605 178 HG3 ARG 22 HG3 ARG 22 0.466 -8.756 -5.843 179 HD2 ARG 22 HD2 ARG 22 2.354 -9.702 -6.967 180 HD3 ARG 22 HD3 ARG 22 1.398 -11.041 -7.586 181 HE ARG 22 HE ARG 22 0.224 -8.733 -8.518 182 HH11 ARG 22 HH11 ARG 22 3.383 -10.301 -8.884 183 HH12 ARG 22 HH12 ARG 22 3.669 -9.706 -10.434 184 HH21 ARG 22 HH21 ARG 22 0.595 -7.914 -10.630 185 HH22 ARG 22 HH22 ARG 22 2.011 -8.293 -11.495 186 H GLN 23 H GLN 23 1.437 -11.241 -2.078 187 HA GLN 23 HA GLN 23 0.962 -13.977 -1.936 188 HB2 GLN 23 HB2 GLN 23 1.887 -12.195 0.283 189 HB3 GLN 23 HB3 GLN 23 2.128 -13.926 0.184 190 HG2 GLN 23 HG2 GLN 23 3.359 -11.852 -1.604 191 HG3 GLN 23 HG3 GLN 23 4.148 -12.625 -0.257 192 HE21 GLN 23 HE21 GLN 23 5.734 -13.527 -1.396 193 HE22 GLN 23 HE22 GLN 23 5.517 -14.795 -2.540 194 H TYR 24 H TYR 24 -0.030 -11.408 0.320 195 HA TYR 24 HA TYR 24 -1.558 -13.109 1.961 196 HB2 TYR 24 HB2 TYR 24 -0.574 -10.950 2.589 197 HB3 TYR 24 HB3 TYR 24 -1.763 -10.115 1.653 198 HD1 TYR 24 HD1 TYR 24 -1.296 -12.213 4.645 199 HD2 TYR 24 HD2 TYR 24 -4.009 -9.852 2.396 200 HE1 TYR 24 HE1 TYR 24 -2.873 -12.246 6.521 201 HE2 TYR 24 HE2 TYR 24 -5.582 -9.864 4.216 202 HH TYR 24 HH TYR 24 -6.111 -11.110 6.192 203 H LEU 25 H LEU 25 -2.385 -10.939 -0.555 204 HA LEU 25 HA LEU 25 -5.187 -11.224 -0.682 205 HB2 LEU 25 HB2 LEU 25 -3.285 -10.822 -2.978 206 HB3 LEU 25 HB3 LEU 25 -5.023 -10.757 -3.135 207 HG LEU 25 HG LEU 25 -3.349 -8.901 -1.461 208 HD11 LEU 25 HD11 LEU 25 -2.982 -8.578 -3.845 209 HD12 LEU 25 HD12 LEU 25 -3.925 -7.244 -3.170 210 HD13 LEU 25 HD13 LEU 25 -4.725 -8.495 -4.116 211 HD21 LEU 25 HD21 LEU 25 -5.394 -7.558 -1.321 212 HD22 LEU 25 HD22 LEU 25 -5.606 -9.135 -0.558 213 HD23 LEU 25 HD23 LEU 25 -6.279 -8.821 -2.166 214 H ALA 26 H ALA 26 -2.727 -13.368 -1.932 215 HA ALA 26 HA ALA 26 -4.637 -15.086 -3.265 216 HB1 ALA 26 HB1 ALA 26 -2.361 -14.850 -4.150 217 HB2 ALA 26 HB2 ALA 26 -2.717 -16.530 -3.739 218 HB3 ALA 26 HB3 ALA 26 -1.717 -15.547 -2.667 219 H GLY 27 H GLY 27 -3.544 -14.704 -0.098 220 HA2 GLY 27 HA2 GLY 27 -4.603 -15.820 1.682 221 HA3 GLY 27 HA3 GLY 27 -4.787 -17.211 0.616 222 H LYS 28 H LYS 28 -1.727 -15.739 0.497 223 HA LYS 28 HA LYS 28 -0.563 -18.075 1.752 224 HB2 LYS 28 HB2 LYS 28 0.904 -15.756 0.461 225 HB3 LYS 28 HB3 LYS 28 1.517 -17.320 0.856 226 HG2 LYS 28 HG2 LYS 28 0.129 -18.392 -0.806 227 HG3 LYS 28 HG3 LYS 28 -0.655 -16.842 -1.143 228 HD2 LYS 28 HD2 LYS 28 1.005 -17.300 -2.855 229 HD3 LYS 28 HD3 LYS 28 1.487 -15.928 -1.862 230 HE2 LYS 28 HE2 LYS 28 3.011 -17.331 -0.601 231 HE3 LYS 28 HE3 LYS 28 2.536 -18.735 -1.563 232 HZ1 LYS 28 HZ1 LYS 28 4.615 -17.670 -2.315 233 HZ2 LYS 28 HZ2 LYS 28 3.726 -16.271 -2.669 234 HZ3 LYS 28 HZ3 LYS 28 3.423 -17.678 -3.513 235 H THR 29 H THR 29 0.905 -17.933 3.374 236 HA THR 29 HA THR 29 0.414 -15.785 5.264 237 HB THR 29 HB THR 29 2.113 -18.283 5.632 238 HG1 THR 29 HG1 THR 29 0.258 -19.293 6.323 239 HG21 THR 29 HG21 THR 29 1.614 -17.923 8.014 240 HG22 THR 29 HG22 THR 29 0.649 -16.509 7.602 241 HG23 THR 29 HG23 THR 29 2.390 -16.495 7.323 242 H VAL 30 H VAL 30 1.695 -14.020 4.919 243 HA VAL 30 HA VAL 30 4.214 -14.430 3.583 244 HB VAL 30 HB VAL 30 3.320 -11.770 4.465 245 HG11 VAL 30 HG11 VAL 30 4.200 -11.114 2.245 246 HG12 VAL 30 HG12 VAL 30 4.487 -12.818 1.909 247 HG13 VAL 30 HG13 VAL 30 5.378 -12.019 3.208 248 HG21 VAL 30 HG21 VAL 30 1.927 -13.238 2.235 249 HG22 VAL 30 HG22 VAL 30 1.845 -11.496 2.478 250 HG23 VAL 30 HG23 VAL 30 1.193 -12.590 3.706 251 H SER 31 H SER 31 5.867 -14.871 4.901 252 HA SER 31 HA SER 31 5.835 -14.147 7.611 253 HB2 SER 31 HB2 SER 31 8.217 -15.141 7.378 254 HB3 SER 31 HB3 SER 31 6.820 -16.193 7.126 255 HG SER 31 HG SER 31 7.999 -16.593 5.410 256 H GLY 32 H GLY 32 6.501 -12.241 8.428 257 HA2 GLY 32 HA2 GLY 32 7.892 -10.408 8.718 258 HA3 GLY 32 HA3 GLY 32 8.745 -10.863 7.256 259 H ILE 33 H ILE 33 5.252 -10.380 7.416 260 HA ILE 33 HA ILE 33 5.591 -8.051 5.687 261 HB ILE 33 HB ILE 33 4.217 -10.049 4.826 262 HG12 ILE 33 HG12 ILE 33 2.665 -7.459 5.133 263 HG13 ILE 33 HG13 ILE 33 3.951 -7.697 3.983 264 HG21 ILE 33 HG21 ILE 33 3.151 -10.729 6.887 265 HG22 ILE 33 HG22 ILE 33 1.935 -10.335 5.671 266 HG23 ILE 33 HG23 ILE 33 2.286 -9.196 6.969 267 HD11 ILE 33 HD11 ILE 33 2.668 -9.549 2.948 268 HD12 ILE 33 HD12 ILE 33 1.826 -8.013 2.855 269 HD13 ILE 33 HD13 ILE 33 1.335 -9.215 4.049 270 H ASP 34 H ASP 34 4.545 -6.117 6.273 271 HA ASP 34 HA ASP 34 3.506 -6.065 9.010 272 HB2 ASP 34 HB2 ASP 34 5.009 -4.112 8.031 273 HB3 ASP 34 HB3 ASP 34 3.573 -3.716 7.121 274 H LYS 35 H LYS 35 1.563 -6.991 8.968 275 HA LYS 35 HA LYS 35 0.016 -7.204 6.681 276 HB2 LYS 35 HB2 LYS 35 0.065 -8.732 8.721 277 HB3 LYS 35 HB3 LYS 35 -1.056 -7.599 9.464 278 HG2 LYS 35 HG2 LYS 35 -2.638 -7.979 7.639 279 HG3 LYS 35 HG3 LYS 35 -1.519 -9.101 6.899 280 HD2 LYS 35 HD2 LYS 35 -3.145 -10.417 8.057 281 HD3 LYS 35 HD3 LYS 35 -1.643 -10.522 8.963 282 HE2 LYS 35 HE2 LYS 35 -3.493 -10.282 10.497 283 HE3 LYS 35 HE3 LYS 35 -2.530 -8.810 10.537 284 HZ1 LYS 35 HZ1 LYS 35 -4.941 -8.399 10.485 285 HZ2 LYS 35 HZ2 LYS 35 -5.062 -9.115 8.975 286 HZ3 LYS 35 HZ3 LYS 35 -4.168 -7.702 9.180 287 H ASN 36 H ASN 36 0.155 -4.692 8.983 288 HA ASN 36 HA ASN 36 -2.492 -3.634 8.710 289 HB2 ASN 36 HB2 ASN 36 -0.097 -2.044 9.543 290 HB3 ASN 36 HB3 ASN 36 -1.763 -1.900 10.077 291 HD21 ASN 36 HD21 ASN 36 1.262 -3.345 10.517 292 HD22 ASN 36 HD22 ASN 36 0.925 -4.212 11.968 293 H ALA 37 H ALA 37 0.594 -3.342 7.036 294 HA ALA 37 HA ALA 37 0.113 -0.722 5.988 295 HB1 ALA 37 HB1 ALA 37 2.340 -1.513 6.603 296 HB2 ALA 37 HB2 ALA 37 2.261 -1.015 4.920 297 HB3 ALA 37 HB3 ALA 37 2.256 -2.734 5.343 298 H LEU 38 H LEU 38 -1.078 -3.650 5.203 299 HA LEU 38 HA LEU 38 -0.920 -3.527 2.335 300 HB2 LEU 38 HB2 LEU 38 -2.470 -5.312 4.181 301 HB3 LEU 38 HB3 LEU 38 -2.674 -5.363 2.453 302 HG LEU 38 HG LEU 38 -0.253 -5.961 2.255 303 HD11 LEU 38 HD11 LEU 38 0.789 -6.889 4.212 304 HD12 LEU 38 HD12 LEU 38 -0.518 -6.155 5.178 305 HD13 LEU 38 HD13 LEU 38 0.583 -5.135 4.259 306 HD21 LEU 38 HD21 LEU 38 -2.037 -7.747 3.851 307 HD22 LEU 38 HD22 LEU 38 -0.575 -8.257 3.007 308 HD23 LEU 38 HD23 LEU 38 -1.956 -7.635 2.092 309 H ASP 39 H ASP 39 -3.082 -2.381 4.765 310 HA ASP 39 HA ASP 39 -5.157 -2.007 2.787 311 HB2 ASP 39 HB2 ASP 39 -5.856 -2.763 4.978 312 HB3 ASP 39 HB3 ASP 39 -5.096 -1.365 5.729 313 H ILE 40 H ILE 40 -4.028 -0.791 1.511 314 HA ILE 40 HA ILE 40 -2.704 1.604 2.240 315 HB ILE 40 HB ILE 40 -3.333 0.535 -0.534 316 HG12 ILE 40 HG12 ILE 40 -0.851 0.225 1.124 317 HG13 ILE 40 HG13 ILE 40 -2.123 -0.980 1.117 318 HG21 ILE 40 HG21 ILE 40 -1.225 2.479 0.433 319 HG22 ILE 40 HG22 ILE 40 -2.670 2.907 -0.488 320 HG23 ILE 40 HG23 ILE 40 -1.422 1.896 -1.223 321 HD11 ILE 40 HD11 ILE 40 -1.799 -1.295 -1.269 322 HD12 ILE 40 HD12 ILE 40 -0.338 -1.628 -0.353 323 HD13 ILE 40 HD13 ILE 40 -0.498 -0.103 -1.250 324 H ASN 41 H ASN 41 -5.814 0.848 0.793 325 HA ASN 41 HA ASN 41 -6.287 3.642 0.240 326 HB2 ASN 41 HB2 ASN 41 -8.352 3.022 -0.793 327 HB3 ASN 41 HB3 ASN 41 -7.226 1.742 -1.199 328 HD21 ASN 41 HD21 ASN 41 -10.033 1.645 -1.247 329 HD22 ASN 41 HD22 ASN 41 -10.539 0.429 -0.120 330 H GLY 42 H GLY 42 -6.420 1.731 2.947 331 HA2 GLY 42 HA2 GLY 42 -7.098 2.142 5.073 332 HA3 GLY 42 HA3 GLY 42 -7.505 3.770 4.561 333 H ASP 43 H ASP 43 -8.798 0.473 4.064 334 HA ASP 43 HA ASP 43 -11.408 1.609 4.780 335 HB2 ASP 43 HB2 ASP 43 -12.594 -0.106 3.393 336 HB3 ASP 43 HB3 ASP 43 -11.616 0.982 2.437 337 H GLY 44 H GLY 44 -9.048 -0.550 5.705 338 HA2 GLY 44 HA2 GLY 44 -9.181 -1.486 7.890 339 HA3 GLY 44 HA3 GLY 44 -10.910 -1.665 7.648 340 H ALA 45 H ALA 45 -9.906 -2.680 4.794 341 HA ALA 45 HA ALA 45 -9.299 -5.403 5.702 342 HB1 ALA 45 HB1 ALA 45 -10.871 -6.262 4.037 343 HB2 ALA 45 HB2 ALA 45 -11.308 -4.605 3.611 344 HB3 ALA 45 HB3 ALA 45 -11.682 -5.227 5.218 345 H VAL 46 H VAL 46 -8.146 -6.689 4.130 346 HA VAL 46 HA VAL 46 -6.577 -5.086 2.352 347 HB VAL 46 HB VAL 46 -6.307 -7.969 3.227 348 HG11 VAL 46 HG11 VAL 46 -4.495 -6.129 1.741 349 HG12 VAL 46 HG12 VAL 46 -5.331 -7.563 1.110 350 HG13 VAL 46 HG13 VAL 46 -4.046 -7.739 2.334 351 HG21 VAL 46 HG21 VAL 46 -6.005 -6.443 5.099 352 HG22 VAL 46 HG22 VAL 46 -4.835 -5.509 4.164 353 HG23 VAL 46 HG23 VAL 46 -4.466 -7.170 4.634 354 H ASN 47 H ASN 47 -7.405 -4.884 0.446 355 HA ASN 47 HA ASN 47 -8.576 -7.164 -0.862 356 HB2 ASN 47 HB2 ASN 47 -10.435 -5.541 -1.715 357 HB3 ASN 47 HB3 ASN 47 -10.589 -6.279 -0.134 358 HD21 ASN 47 HD21 ASN 47 -11.749 -4.791 0.918 359 HD22 ASN 47 HD22 ASN 47 -11.289 -3.154 1.178 360 H GLY 48 H GLY 48 -9.169 -6.457 -3.254 361 HA2 GLY 48 HA2 GLY 48 -6.659 -5.933 -4.411 362 HA3 GLY 48 HA3 GLY 48 -8.136 -6.083 -5.327 363 H ARG 49 H ARG 49 -9.085 -3.844 -3.429 364 HA ARG 49 HA ARG 49 -8.666 -1.599 -5.090 365 HB2 ARG 49 HB2 ARG 49 -9.430 -1.790 -2.184 366 HB3 ARG 49 HB3 ARG 49 -9.486 -0.303 -3.108 367 HG2 ARG 49 HG2 ARG 49 -10.992 -2.709 -4.014 368 HG3 ARG 49 HG3 ARG 49 -11.618 -1.672 -2.733 369 HD2 ARG 49 HD2 ARG 49 -12.546 -0.977 -4.882 370 HD3 ARG 49 HD3 ARG 49 -11.456 0.253 -4.268 371 HE ARG 49 HE ARG 49 -10.576 -1.694 -6.280 372 HH11 ARG 49 HH11 ARG 49 -10.990 1.682 -5.244 373 HH12 ARG 49 HH12 ARG 49 -10.324 2.361 -6.652 374 HH21 ARG 49 HH21 ARG 49 -9.601 -0.706 -8.238 375 HH22 ARG 49 HH22 ARG 49 -9.517 0.975 -8.377 376 H ASP 50 H ASP 50 -7.124 -2.766 -2.158 377 HA ASP 50 HA ASP 50 -5.344 -0.604 -1.745 378 HB2 ASP 50 HB2 ASP 50 -5.028 -3.490 -0.945 379 HB3 ASP 50 HB3 ASP 50 -4.150 -2.115 -0.293 380 H LEU 51 H LEU 51 -5.180 -3.646 -3.388 381 HA LEU 51 HA LEU 51 -2.504 -3.612 -4.232 382 HB2 LEU 51 HB2 LEU 51 -3.745 -5.626 -4.450 383 HB3 LEU 51 HB3 LEU 51 -4.984 -4.847 -5.400 384 HG LEU 51 HG LEU 51 -3.459 -4.713 -7.305 385 HD11 LEU 51 HD11 LEU 51 -1.307 -4.612 -6.026 386 HD12 LEU 51 HD12 LEU 51 -1.311 -5.795 -7.326 387 HD13 LEU 51 HD13 LEU 51 -1.506 -6.336 -5.664 388 HD21 LEU 51 HD21 LEU 51 -4.909 -6.638 -7.058 389 HD22 LEU 51 HD22 LEU 51 -3.673 -7.440 -6.085 390 HD23 LEU 51 HD23 LEU 51 -3.370 -7.109 -7.790 391 H MET 52 H MET 52 -5.417 -2.367 -5.766 392 HA MET 52 HA MET 52 -4.066 -1.316 -8.021 393 HB2 MET 52 HB2 MET 52 -6.803 -0.693 -6.907 394 HB3 MET 52 HB3 MET 52 -6.198 -0.029 -8.423 395 HG2 MET 52 HG2 MET 52 -5.887 -2.350 -9.255 396 HG3 MET 52 HG3 MET 52 -6.599 -2.918 -7.743 397 HE1 MET 52 HE1 MET 52 -7.588 -3.645 -10.769 398 HE2 MET 52 HE2 MET 52 -9.328 -3.686 -10.461 399 HE3 MET 52 HE3 MET 52 -8.201 -4.363 -9.283 400 H GLU 53 H GLU 53 -4.696 -0.031 -4.864 401 HA GLU 53 HA GLU 53 -3.858 2.615 -5.405 402 HB2 GLU 53 HB2 GLU 53 -3.861 0.982 -2.867 403 HB3 GLU 53 HB3 GLU 53 -3.298 2.635 -2.918 404 HG2 GLU 53 HG2 GLU 53 -6.056 1.713 -3.659 405 HG3 GLU 53 HG3 GLU 53 -5.590 2.462 -2.130 406 H LEU 54 H LEU 54 -2.213 -0.253 -4.211 407 HA LEU 54 HA LEU 54 0.290 0.782 -3.785 408 HB2 LEU 54 HB2 LEU 54 -0.574 -1.446 -3.121 409 HB3 LEU 54 HB3 LEU 54 -0.356 -1.966 -4.764 410 HG LEU 54 HG LEU 54 2.045 -1.714 -4.619 411 HD11 LEU 54 HD11 LEU 54 1.555 -0.815 -1.776 412 HD12 LEU 54 HD12 LEU 54 2.171 0.195 -3.085 413 HD13 LEU 54 HD13 LEU 54 3.127 -1.156 -2.490 414 HD21 LEU 54 HD21 LEU 54 1.027 -3.803 -3.928 415 HD22 LEU 54 HD22 LEU 54 0.883 -3.200 -2.279 416 HD23 LEU 54 HD23 LEU 54 2.476 -3.463 -2.988 417 H ILE 55 H ILE 55 -0.945 -0.796 -6.663 418 HA ILE 55 HA ILE 55 1.318 -0.588 -8.395 419 HB ILE 55 HB ILE 55 -1.570 -0.242 -9.301 420 HG12 ILE 55 HG12 ILE 55 -0.058 -2.859 -9.034 421 HG13 ILE 55 HG13 ILE 55 -1.242 -2.291 -7.872 422 HG21 ILE 55 HG21 ILE 55 -0.747 -1.220 -11.418 423 HG22 ILE 55 HG22 ILE 55 0.872 -1.332 -10.732 424 HG23 ILE 55 HG23 ILE 55 0.145 0.247 -11.006 425 HD11 ILE 55 HD11 ILE 55 -2.222 -3.936 -9.368 426 HD12 ILE 55 HD12 ILE 55 -1.792 -2.950 -10.766 427 HD13 ILE 55 HD13 ILE 55 -2.981 -2.363 -9.604 428 H LYS 56 H LYS 56 -1.277 1.742 -7.849 429 HA LYS 56 HA LYS 56 -0.339 3.787 -9.503 430 HB2 LYS 56 HB2 LYS 56 -2.504 4.082 -8.647 431 HB3 LYS 56 HB3 LYS 56 -1.983 3.743 -7.001 432 HG2 LYS 56 HG2 LYS 56 -0.928 5.873 -6.816 433 HG3 LYS 56 HG3 LYS 56 -1.245 6.263 -8.520 434 HD2 LYS 56 HD2 LYS 56 -2.818 7.416 -7.073 435 HD3 LYS 56 HD3 LYS 56 -3.677 6.179 -7.990 436 HE2 LYS 56 HE2 LYS 56 -3.645 4.694 -6.080 437 HE3 LYS 56 HE3 LYS 56 -2.676 5.839 -5.160 438 HZ1 LYS 56 HZ1 LYS 56 -4.523 7.378 -5.217 439 HZ2 LYS 56 HZ2 LYS 56 -5.009 5.877 -4.577 440 HZ3 LYS 56 HZ3 LYS 56 -5.431 6.296 -6.150 441 H LYS 57 H LYS 57 0.324 3.196 -6.080 442 HA LYS 57 HA LYS 57 1.928 5.417 -5.512 443 HB2 LYS 57 HB2 LYS 57 2.428 2.685 -4.341 444 HB3 LYS 57 HB3 LYS 57 2.755 4.240 -3.600 445 HG2 LYS 57 HG2 LYS 57 0.073 2.979 -4.081 446 HG3 LYS 57 HG3 LYS 57 0.954 3.110 -2.562 447 HD2 LYS 57 HD2 LYS 57 0.130 5.561 -4.106 448 HD3 LYS 57 HD3 LYS 57 -0.986 4.686 -3.091 449 HE2 LYS 57 HE2 LYS 57 -0.082 6.446 -1.693 450 HE3 LYS 57 HE3 LYS 57 0.544 4.897 -1.149 451 HZ1 LYS 57 HZ1 LYS 57 2.224 6.542 -1.117 452 HZ2 LYS 57 HZ2 LYS 57 2.009 6.960 -2.695 453 HZ3 LYS 57 HZ3 LYS 57 2.664 5.454 -2.306 454 H VAL 58 H VAL 58 2.861 2.134 -6.336 455 HA VAL 58 HA VAL 58 5.610 2.592 -6.356 456 HB VAL 58 HB VAL 58 3.910 0.334 -7.394 457 HG11 VAL 58 HG11 VAL 58 6.103 0.309 -8.495 458 HG12 VAL 58 HG12 VAL 58 5.971 -1.008 -7.322 459 HG13 VAL 58 HG13 VAL 58 6.889 0.444 -6.928 460 HG21 VAL 58 HG21 VAL 58 5.470 0.733 -4.855 461 HG22 VAL 58 HG22 VAL 58 4.611 -0.737 -5.291 462 HG23 VAL 58 HG23 VAL 58 3.718 0.767 -5.029 463 H SER 59 H SER 59 3.227 2.565 -8.958 464 HA SER 59 HA SER 59 5.196 2.528 -10.965 465 HB2 SER 59 HB2 SER 59 2.300 3.352 -11.191 466 HB3 SER 59 HB3 SER 59 3.378 3.070 -12.562 467 HG SER 59 HG SER 59 2.485 1.268 -10.600 468 H ASN 60 H ASN 60 3.543 5.055 -9.178 469 HA ASN 60 HA ASN 60 4.412 7.214 -10.794 470 HB2 ASN 60 HB2 ASN 60 2.336 7.280 -9.536 471 HB3 ASN 60 HB3 ASN 60 3.200 6.990 -8.040 472 HD21 ASN 60 HD21 ASN 60 2.352 8.770 -7.145 473 HD22 ASN 60 HD22 ASN 60 2.875 10.364 -7.548 474 H ASN 61 H ASN 61 5.531 5.494 -7.938 475 HA ASN 61 HA ASN 61 7.490 7.454 -7.267 476 HB2 ASN 61 HB2 ASN 61 6.405 6.000 -5.546 477 HB3 ASN 61 HB3 ASN 61 7.258 4.625 -6.213 478 HD21 ASN 61 HD21 ASN 61 7.531 7.512 -4.345 479 HD22 ASN 61 HD22 ASN 61 9.114 7.223 -3.733 480 H THR 62 H THR 62 8.527 4.071 -7.463 481 HA THR 62 HA THR 62 10.186 4.313 -9.734 482 HB THR 62 HB THR 62 11.491 4.770 -7.011 483 HG1 THR 62 HG1 THR 62 10.774 6.454 -8.764 484 HG21 THR 62 HG21 THR 62 12.806 3.053 -8.185 485 HG22 THR 62 HG22 THR 62 13.693 4.576 -8.107 486 HG23 THR 62 HG23 THR 62 12.893 4.092 -9.605 487 H SER 63 H SER 63 10.869 2.265 -10.312 488 HA SER 63 HA SER 63 11.528 0.314 -8.344 489 HB2 SER 63 HB2 SER 63 9.412 -0.227 -10.452 490 HB3 SER 63 HB3 SER 63 10.222 -1.486 -9.521 491 HG SER 63 HG SER 63 9.135 0.558 -8.044 Start of MODEL 20 1 H1 GLY -3 H1 GLY -3 2.764 0.991 16.001 2 H2 GLY -3 H2 GLY -3 3.670 0.763 17.400 3 H3 GLY -3 H3 GLY -3 4.343 0.392 15.889 4 HA2 GLY -3 HA3 GLY -3 5.204 2.445 16.736 5 HA3 GLY -3 HA2 GLY -3 4.238 2.712 15.283 6 H SER -2 H SER -2 4.660 4.800 16.941 7 HA SER -2 HA SER -2 2.591 5.060 18.884 8 HB2 SER -2 HB2 SER -2 4.796 6.226 19.042 9 HB3 SER -2 HB3 SER -2 4.366 7.174 17.622 10 HG SER -2 HG SER -2 3.965 7.969 19.913 11 H ALA -1 H ALA -1 0.652 5.979 18.633 12 HA ALA -1 HA ALA -1 -1.272 6.671 17.756 13 HB1 ALA -1 HB1 ALA -1 0.344 7.892 15.502 14 HB2 ALA -1 HB2 ALA -1 -0.044 8.697 17.023 15 HB3 ALA -1 HB3 ALA -1 -1.336 8.258 15.902 16 H SER 0 H SER 0 0.630 5.818 14.944 17 HA SER 0 HA SER 0 -0.807 3.377 14.527 18 HB2 SER 0 HB2 SER 0 -0.827 5.452 12.295 19 HB3 SER 0 HB3 SER 0 -1.560 3.856 12.261 20 HG SER 0 HG SER 0 -2.649 4.955 14.298 21 H ASN 1 H ASN 1 1.083 5.733 12.715 22 HA ASN 1 HA ASN 1 2.873 5.603 11.405 23 HB2 ASN 1 HB2 ASN 1 3.900 5.959 13.617 24 HB3 ASN 1 HB3 ASN 1 4.065 4.219 13.811 25 HD21 ASN 1 HD21 ASN 1 4.696 6.028 10.791 26 HD22 ASN 1 HD22 ASN 1 6.374 5.674 10.766 27 H THR 2 H THR 2 1.484 4.089 10.261 28 HA THR 2 HA THR 2 3.040 1.711 9.651 29 HB THR 2 HB THR 2 0.042 2.098 9.462 30 HG1 THR 2 HG1 THR 2 1.457 1.555 11.531 31 HG21 THR 2 HG21 THR 2 1.011 0.668 7.701 32 HG22 THR 2 HG22 THR 2 -0.032 -0.223 8.789 33 HG23 THR 2 HG23 THR 2 1.726 -0.369 8.942 34 H ILE 3 H ILE 3 3.724 1.750 7.573 35 HA ILE 3 HA ILE 3 2.827 4.052 6.090 36 HB ILE 3 HB ILE 3 5.161 4.017 6.310 37 HG12 ILE 3 HG12 ILE 3 4.588 2.991 3.507 38 HG13 ILE 3 HG13 ILE 3 4.393 4.646 4.048 39 HG21 ILE 3 HG21 ILE 3 5.650 1.857 7.027 40 HG22 ILE 3 HG22 ILE 3 6.600 2.082 5.553 41 HG23 ILE 3 HG23 ILE 3 5.104 1.139 5.523 42 HD11 ILE 3 HD11 ILE 3 7.003 3.144 3.902 43 HD12 ILE 3 HD12 ILE 3 6.804 4.811 4.436 44 HD13 ILE 3 HD13 ILE 3 6.441 4.370 2.765 45 H LEU 4 H LEU 4 1.044 3.621 5.156 46 HA LEU 4 HA LEU 4 0.237 1.176 4.081 47 HB2 LEU 4 HB2 LEU 4 -0.733 3.957 3.497 48 HB3 LEU 4 HB3 LEU 4 -1.551 2.476 3.070 49 HG LEU 4 HG LEU 4 -1.098 3.603 5.827 50 HD11 LEU 4 HD11 LEU 4 -2.936 4.621 4.635 51 HD12 LEU 4 HD12 LEU 4 -3.533 3.632 5.965 52 HD13 LEU 4 HD13 LEU 4 -3.627 3.030 4.313 53 HD21 LEU 4 HD21 LEU 4 -2.272 0.909 5.105 54 HD22 LEU 4 HD22 LEU 4 -2.306 1.651 6.704 55 HD23 LEU 4 HD23 LEU 4 -0.752 1.260 5.952 56 H GLY 5 H GLY 5 1.100 0.232 2.438 57 HA2 GLY 5 HA2 GLY 5 1.326 0.316 0.002 58 HA3 GLY 5 HA3 GLY 5 2.058 1.905 0.218 59 H ASP 6 H ASP 6 3.339 0.625 2.753 60 HA ASP 6 HA ASP 6 5.410 -0.790 1.282 61 HB2 ASP 6 HB2 ASP 6 6.305 1.328 1.918 62 HB3 ASP 6 HB3 ASP 6 5.716 1.154 3.557 63 H LEU 7 H LEU 7 4.687 -2.630 1.550 64 HA LEU 7 HA LEU 7 3.552 -3.697 3.948 65 HB2 LEU 7 HB2 LEU 7 4.090 -4.774 1.214 66 HB3 LEU 7 HB3 LEU 7 3.467 -5.778 2.492 67 HG LEU 7 HG LEU 7 1.427 -4.341 2.586 68 HD11 LEU 7 HD11 LEU 7 2.384 -2.247 1.700 69 HD12 LEU 7 HD12 LEU 7 0.926 -2.770 0.863 70 HD13 LEU 7 HD13 LEU 7 2.503 -3.013 0.113 71 HD21 LEU 7 HD21 LEU 7 2.133 -5.458 -0.080 72 HD22 LEU 7 HD22 LEU 7 0.518 -5.055 0.476 73 HD23 LEU 7 HD23 LEU 7 1.439 -6.337 1.283 74 H ASN 8 H ASN 8 6.553 -3.980 2.213 75 HA ASN 8 HA ASN 8 7.480 -6.118 4.012 76 HB2 ASN 8 HB2 ASN 8 9.368 -6.385 2.546 77 HB3 ASN 8 HB3 ASN 8 7.925 -6.332 1.556 78 HD21 ASN 8 HD21 ASN 8 10.520 -5.901 0.783 79 HD22 ASN 8 HD22 ASN 8 10.721 -4.271 0.215 80 H ASP 9 H ASP 9 7.180 -3.094 4.294 81 HA ASP 9 HA ASP 9 8.096 -1.362 5.248 82 HB2 ASP 9 HB2 ASP 9 8.556 -1.529 7.632 83 HB3 ASP 9 HB3 ASP 9 7.226 -2.578 7.211 84 H ASP 10 H ASP 10 9.489 -1.232 3.525 85 HA ASP 10 HA ASP 10 12.252 -1.207 4.478 86 HB2 ASP 10 HB2 ASP 10 13.087 -1.413 2.130 87 HB3 ASP 10 HB3 ASP 10 12.058 -2.751 2.630 88 H GLY 11 H GLY 11 9.708 0.708 3.875 89 HA2 GLY 11 HA2 GLY 11 9.767 2.947 4.502 90 HA3 GLY 11 HA3 GLY 11 11.456 3.039 4.022 91 H VAL 12 H VAL 12 9.699 1.495 1.630 92 HA VAL 12 HA VAL 12 8.900 3.961 0.334 93 HB VAL 12 HB VAL 12 11.284 3.899 -0.121 94 HG11 VAL 12 HG11 VAL 12 11.716 1.603 0.243 95 HG12 VAL 12 HG12 VAL 12 12.383 2.086 -1.325 96 HG13 VAL 12 HG13 VAL 12 10.889 1.140 -1.243 97 HG21 VAL 12 HG21 VAL 12 11.306 3.858 -2.596 98 HG22 VAL 12 HG22 VAL 12 9.936 4.748 -1.945 99 HG23 VAL 12 HG23 VAL 12 9.706 3.117 -2.571 100 H VAL 13 H VAL 13 7.373 3.645 -1.293 101 HA VAL 13 HA VAL 13 6.238 1.067 -1.549 102 HB VAL 13 HB VAL 13 4.754 2.251 -3.264 103 HG11 VAL 13 HG11 VAL 13 3.550 3.572 -1.542 104 HG12 VAL 13 HG12 VAL 13 4.960 3.441 -0.490 105 HG13 VAL 13 HG13 VAL 13 4.061 1.999 -0.942 106 HG21 VAL 13 HG21 VAL 13 6.196 4.728 -2.271 107 HG22 VAL 13 HG22 VAL 13 4.809 4.705 -3.352 108 HG23 VAL 13 HG23 VAL 13 6.351 4.036 -3.882 109 H ASN 14 H ASN 14 7.394 -0.391 -2.564 110 HA ASN 14 HA ASN 14 8.410 0.230 -5.205 111 HB2 ASN 14 HB2 ASN 14 10.437 -1.123 -4.831 112 HB3 ASN 14 HB3 ASN 14 10.415 0.277 -3.800 113 HD21 ASN 14 HD21 ASN 14 12.060 -1.799 -3.415 114 HD22 ASN 14 HD22 ASN 14 11.626 -2.515 -1.894 115 H GLY 15 H GLY 15 9.225 -2.004 -6.206 116 HA2 GLY 15 HA2 GLY 15 6.848 -3.376 -6.865 117 HA3 GLY 15 HA3 GLY 15 8.428 -3.878 -7.332 118 H ARG 16 H ARG 16 9.188 -3.998 -4.439 119 HA ARG 16 HA ARG 16 8.744 -6.761 -3.980 120 HB2 ARG 16 HB2 ARG 16 9.528 -4.645 -2.005 121 HB3 ARG 16 HB3 ARG 16 9.681 -6.370 -1.747 122 HG2 ARG 16 HG2 ARG 16 11.134 -4.755 -3.814 123 HG3 ARG 16 HG3 ARG 16 11.826 -5.322 -2.292 124 HD2 ARG 16 HD2 ARG 16 11.388 -7.655 -3.041 125 HD3 ARG 16 HD3 ARG 16 10.833 -7.007 -4.587 126 HE ARG 16 HE ARG 16 13.531 -6.539 -3.545 127 HH11 ARG 16 HH11 ARG 16 11.447 -7.671 -6.221 128 HH12 ARG 16 HH12 ARG 16 12.705 -7.696 -7.339 129 HH21 ARG 16 HH21 ARG 16 15.254 -6.613 -5.164 130 HH22 ARG 16 HH22 ARG 16 14.875 -7.126 -6.738 131 H ASP 17 H ASP 17 7.036 -3.864 -3.000 132 HA ASP 17 HA ASP 17 5.515 -5.017 -0.920 133 HB2 ASP 17 HB2 ASP 17 4.948 -2.624 -2.650 134 HB3 ASP 17 HB3 ASP 17 4.082 -3.039 -1.183 135 H ILE 18 H ILE 18 5.019 -4.508 -4.356 136 HA ILE 18 HA ILE 18 2.462 -5.384 -4.750 137 HB ILE 18 HB ILE 18 4.952 -5.667 -6.443 138 HG12 ILE 18 HG12 ILE 18 3.900 -4.056 -7.902 139 HG13 ILE 18 HG13 ILE 18 2.441 -4.074 -6.878 140 HG21 ILE 18 HG21 ILE 18 3.609 -6.399 -8.364 141 HG22 ILE 18 HG22 ILE 18 2.210 -6.553 -7.305 142 HG23 ILE 18 HG23 ILE 18 3.610 -7.587 -7.058 143 HD11 ILE 18 HD11 ILE 18 3.758 -2.105 -6.618 144 HD12 ILE 18 HD12 ILE 18 5.147 -3.083 -6.096 145 HD13 ILE 18 HD13 ILE 18 3.678 -3.046 -5.135 146 H VAL 19 H VAL 19 5.380 -7.257 -4.504 147 HA VAL 19 HA VAL 19 4.343 -9.852 -4.947 148 HB VAL 19 HB VAL 19 6.584 -9.234 -3.042 149 HG11 VAL 19 HG11 VAL 19 5.891 -11.555 -3.100 150 HG12 VAL 19 HG12 VAL 19 7.499 -11.376 -3.797 151 HG13 VAL 19 HG13 VAL 19 6.102 -11.597 -4.851 152 HG21 VAL 19 HG21 VAL 19 7.024 -7.941 -4.997 153 HG22 VAL 19 HG22 VAL 19 6.711 -9.327 -6.046 154 HG23 VAL 19 HG23 VAL 19 8.128 -9.316 -4.971 155 H MET 20 H MET 20 4.946 -8.103 -1.958 156 HA MET 20 HA MET 20 4.059 -10.058 -0.116 157 HB2 MET 20 HB2 MET 20 3.867 -7.072 0.278 158 HB3 MET 20 HB3 MET 20 4.026 -8.328 1.503 159 HG2 MET 20 HG2 MET 20 6.135 -7.737 -0.552 160 HG3 MET 20 HG3 MET 20 6.094 -6.972 1.021 161 HE1 MET 20 HE1 MET 20 6.965 -9.808 3.455 162 HE2 MET 20 HE2 MET 20 5.426 -9.014 3.115 163 HE3 MET 20 HE3 MET 20 6.906 -8.068 3.199 164 H MET 21 H MET 21 2.425 -7.379 -1.674 165 HA MET 21 HA MET 21 -0.137 -7.395 -0.586 166 HB2 MET 21 HB2 MET 21 0.860 -5.763 -2.233 167 HB3 MET 21 HB3 MET 21 0.674 -7.007 -3.451 168 HG2 MET 21 HG2 MET 21 -1.042 -5.572 -3.872 169 HG3 MET 21 HG3 MET 21 -1.892 -6.814 -2.983 170 HE1 MET 21 HE1 MET 21 -2.842 -6.309 -0.418 171 HE2 MET 21 HE2 MET 21 -2.502 -4.779 0.404 172 HE3 MET 21 HE3 MET 21 -1.208 -5.923 0.148 173 H ARG 22 H ARG 22 1.079 -8.946 -3.492 174 HA ARG 22 HA ARG 22 -1.213 -10.387 -4.170 175 HB2 ARG 22 HB2 ARG 22 1.665 -10.666 -4.895 176 HB3 ARG 22 HB3 ARG 22 0.418 -11.727 -5.580 177 HG2 ARG 22 HG2 ARG 22 -0.628 -9.754 -6.586 178 HG3 ARG 22 HG3 ARG 22 0.598 -8.723 -5.842 179 HD2 ARG 22 HD2 ARG 22 2.344 -9.856 -7.053 180 HD3 ARG 22 HD3 ARG 22 1.200 -10.973 -7.767 181 HE ARG 22 HE ARG 22 0.610 -8.235 -8.365 182 HH11 ARG 22 HH11 ARG 22 2.597 -10.985 -9.346 183 HH12 ARG 22 HH12 ARG 22 2.931 -10.427 -10.905 184 HH21 ARG 22 HH21 ARG 22 1.048 -7.426 -10.509 185 HH22 ARG 22 HH22 ARG 22 2.010 -8.307 -11.601 186 H GLN 23 H GLN 23 1.527 -11.250 -2.079 187 HA GLN 23 HA GLN 23 1.051 -13.991 -1.878 188 HB2 GLN 23 HB2 GLN 23 1.976 -12.137 0.266 189 HB3 GLN 23 HB3 GLN 23 2.186 -13.878 0.249 190 HG2 GLN 23 HG2 GLN 23 3.477 -11.892 -1.595 191 HG3 GLN 23 HG3 GLN 23 4.238 -12.682 -0.239 192 HE21 GLN 23 HE21 GLN 23 5.794 -13.676 -1.384 193 HE22 GLN 23 HE22 GLN 23 5.488 -14.961 -2.506 194 H TYR 24 H TYR 24 0.014 -11.339 0.270 195 HA TYR 24 HA TYR 24 -1.530 -12.979 1.964 196 HB2 TYR 24 HB2 TYR 24 -0.576 -10.773 2.482 197 HB3 TYR 24 HB3 TYR 24 -1.751 -9.991 1.504 198 HD1 TYR 24 HD1 TYR 24 -1.081 -11.266 4.754 199 HD2 TYR 24 HD2 TYR 24 -4.253 -10.353 2.097 200 HE1 TYR 24 HE1 TYR 24 -2.644 -11.210 6.649 201 HE2 TYR 24 HE2 TYR 24 -5.813 -10.291 3.914 202 HH TYR 24 HH TYR 24 -5.931 -11.335 6.266 203 H LEU 25 H LEU 25 -2.310 -10.952 -0.694 204 HA LEU 25 HA LEU 25 -5.111 -11.348 -0.852 205 HB2 LEU 25 HB2 LEU 25 -3.196 -10.934 -3.150 206 HB3 LEU 25 HB3 LEU 25 -4.936 -10.916 -3.313 207 HG LEU 25 HG LEU 25 -3.316 -8.980 -1.673 208 HD11 LEU 25 HD11 LEU 25 -4.667 -8.671 -4.353 209 HD12 LEU 25 HD12 LEU 25 -2.925 -8.672 -4.053 210 HD13 LEU 25 HD13 LEU 25 -3.933 -7.364 -3.432 211 HD21 LEU 25 HD21 LEU 25 -6.257 -8.956 -2.392 212 HD22 LEU 25 HD22 LEU 25 -5.403 -7.659 -1.583 213 HD23 LEU 25 HD23 LEU 25 -5.586 -9.220 -0.780 214 H ALA 26 H ALA 26 -2.551 -13.458 -1.809 215 HA ALA 26 HA ALA 26 -4.320 -15.357 -3.124 216 HB1 ALA 26 HB1 ALA 26 -2.039 -15.099 -3.972 217 HB2 ALA 26 HB2 ALA 26 -2.282 -16.742 -3.379 218 HB3 ALA 26 HB3 ALA 26 -1.400 -15.566 -2.403 219 H GLY 27 H GLY 27 -3.702 -14.577 0.018 220 HA2 GLY 27 HA2 GLY 27 -4.527 -15.573 1.892 221 HA3 GLY 27 HA3 GLY 27 -4.798 -17.033 0.955 222 H LYS 28 H LYS 28 -1.652 -15.679 0.697 223 HA LYS 28 HA LYS 28 -0.599 -18.004 2.073 224 HB2 LYS 28 HB2 LYS 28 1.090 -15.782 0.848 225 HB3 LYS 28 HB3 LYS 28 1.536 -17.398 1.282 226 HG2 LYS 28 HG2 LYS 28 0.224 -18.328 -0.517 227 HG3 LYS 28 HG3 LYS 28 -0.340 -16.698 -0.934 228 HD2 LYS 28 HD2 LYS 28 1.979 -16.000 -1.323 229 HD3 LYS 28 HD3 LYS 28 2.525 -17.632 -0.961 230 HE2 LYS 28 HE2 LYS 28 0.658 -16.901 -3.216 231 HE3 LYS 28 HE3 LYS 28 2.397 -17.137 -3.388 232 HZ1 LYS 28 HZ1 LYS 28 2.111 -19.413 -2.641 233 HZ2 LYS 28 HZ2 LYS 28 1.196 -19.095 -4.012 234 HZ3 LYS 28 HZ3 LYS 28 0.441 -19.182 -2.505 235 H THR 29 H THR 29 0.791 -17.882 3.769 236 HA THR 29 HA THR 29 0.402 -15.671 5.560 237 HB THR 29 HB THR 29 1.957 -18.259 5.905 238 HG1 THR 29 HG1 THR 29 0.072 -19.148 6.252 239 HG21 THR 29 HG21 THR 29 2.608 -16.494 7.490 240 HG22 THR 29 HG22 THR 29 1.739 -17.790 8.309 241 HG23 THR 29 HG23 THR 29 0.918 -16.273 7.935 242 H VAL 30 H VAL 30 1.749 -13.930 5.198 243 HA VAL 30 HA VAL 30 4.227 -14.439 3.811 244 HB VAL 30 HB VAL 30 3.290 -11.718 4.586 245 HG11 VAL 30 HG11 VAL 30 4.318 -11.070 2.447 246 HG12 VAL 30 HG12 VAL 30 4.738 -12.750 2.160 247 HG13 VAL 30 HG13 VAL 30 5.448 -11.886 3.524 248 HG21 VAL 30 HG21 VAL 30 1.272 -12.672 3.682 249 HG22 VAL 30 HG22 VAL 30 2.155 -13.306 2.300 250 HG23 VAL 30 HG23 VAL 30 1.961 -11.561 2.493 251 H SER 31 H SER 31 5.944 -14.810 5.050 252 HA SER 31 HA SER 31 6.071 -13.923 7.748 253 HB2 SER 31 HB2 SER 31 8.389 -14.979 7.568 254 HB3 SER 31 HB3 SER 31 7.009 -16.044 7.268 255 HG SER 31 HG SER 31 8.175 -14.696 5.117 256 H GLY 32 H GLY 32 6.613 -11.899 8.306 257 HA2 GLY 32 HA2 GLY 32 8.134 -10.147 8.463 258 HA3 GLY 32 HA3 GLY 32 8.836 -10.658 6.934 259 H ILE 33 H ILE 33 5.378 -10.172 7.416 260 HA ILE 33 HA ILE 33 5.597 -7.875 5.634 261 HB ILE 33 HB ILE 33 4.282 -9.926 4.824 262 HG12 ILE 33 HG12 ILE 33 2.666 -7.382 5.127 263 HG13 ILE 33 HG13 ILE 33 3.921 -7.600 3.944 264 HG21 ILE 33 HG21 ILE 33 2.372 -9.109 6.985 265 HG22 ILE 33 HG22 ILE 33 3.280 -10.620 6.891 266 HG23 ILE 33 HG23 ILE 33 2.036 -10.258 5.691 267 HD11 ILE 33 HD11 ILE 33 2.649 -9.533 2.994 268 HD12 ILE 33 HD12 ILE 33 1.779 -8.015 2.860 269 HD13 ILE 33 HD13 ILE 33 1.338 -9.176 4.111 270 H ASP 34 H ASP 34 4.524 -5.994 6.226 271 HA ASP 34 HA ASP 34 3.599 -5.907 9.013 272 HB2 ASP 34 HB2 ASP 34 5.009 -3.943 7.927 273 HB3 ASP 34 HB3 ASP 34 3.530 -3.590 7.064 274 H LYS 35 H LYS 35 1.662 -6.832 9.077 275 HA LYS 35 HA LYS 35 -0.033 -7.251 6.902 276 HB2 LYS 35 HB2 LYS 35 0.073 -8.482 9.142 277 HB3 LYS 35 HB3 LYS 35 -0.984 -7.215 9.750 278 HG2 LYS 35 HG2 LYS 35 -2.500 -7.875 7.715 279 HG3 LYS 35 HG3 LYS 35 -1.541 -9.336 7.726 280 HD2 LYS 35 HD2 LYS 35 -3.111 -8.322 10.108 281 HD3 LYS 35 HD3 LYS 35 -3.598 -9.629 9.045 282 HE2 LYS 35 HE2 LYS 35 -1.082 -9.623 10.714 283 HE3 LYS 35 HE3 LYS 35 -2.596 -10.379 11.201 284 HZ1 LYS 35 HZ1 LYS 35 -2.428 -11.859 9.297 285 HZ2 LYS 35 HZ2 LYS 35 -1.037 -11.950 10.247 286 HZ3 LYS 35 HZ3 LYS 35 -0.997 -11.110 8.808 287 H ASN 36 H ASN 36 0.215 -4.536 9.050 288 HA ASN 36 HA ASN 36 -2.443 -3.560 8.754 289 HB2 ASN 36 HB2 ASN 36 0.013 -2.062 9.632 290 HB3 ASN 36 HB3 ASN 36 -1.667 -1.644 9.953 291 HD21 ASN 36 HD21 ASN 36 1.050 -3.476 10.812 292 HD22 ASN 36 HD22 ASN 36 0.415 -4.133 12.295 293 H ALA 37 H ALA 37 0.613 -3.273 7.022 294 HA ALA 37 HA ALA 37 0.073 -0.698 5.902 295 HB1 ALA 37 HB1 ALA 37 2.332 -1.425 6.451 296 HB2 ALA 37 HB2 ALA 37 2.179 -1.030 4.741 297 HB3 ALA 37 HB3 ALA 37 2.203 -2.716 5.261 298 H LEU 38 H LEU 38 -1.117 -3.646 5.237 299 HA LEU 38 HA LEU 38 -1.042 -3.622 2.367 300 HB2 LEU 38 HB2 LEU 38 -2.511 -5.332 4.330 301 HB3 LEU 38 HB3 LEU 38 -2.789 -5.442 2.614 302 HG LEU 38 HG LEU 38 -0.399 -6.048 2.315 303 HD11 LEU 38 HD11 LEU 38 0.522 -5.105 4.267 304 HD12 LEU 38 HD12 LEU 38 0.787 -6.858 4.208 305 HD13 LEU 38 HD13 LEU 38 -0.456 -6.179 5.269 306 HD21 LEU 38 HD21 LEU 38 -2.090 -7.713 2.341 307 HD22 LEU 38 HD22 LEU 38 -2.077 -7.727 4.103 308 HD23 LEU 38 HD23 LEU 38 -0.665 -8.290 3.211 309 H ASP 39 H ASP 39 -3.178 -2.429 4.797 310 HA ASP 39 HA ASP 39 -5.277 -2.141 2.820 311 HB2 ASP 39 HB2 ASP 39 -5.932 -2.907 5.025 312 HB3 ASP 39 HB3 ASP 39 -5.243 -1.441 5.746 313 H ILE 40 H ILE 40 -4.206 -0.886 1.536 314 HA ILE 40 HA ILE 40 -2.894 1.482 2.322 315 HB ILE 40 HB ILE 40 -3.429 0.513 -0.521 316 HG12 ILE 40 HG12 ILE 40 -1.001 0.120 1.199 317 HG13 ILE 40 HG13 ILE 40 -2.268 -1.077 1.127 318 HG21 ILE 40 HG21 ILE 40 -2.779 2.857 -0.339 319 HG22 ILE 40 HG22 ILE 40 -1.517 1.872 -1.089 320 HG23 ILE 40 HG23 ILE 40 -1.350 2.392 0.593 321 HD11 ILE 40 HD11 ILE 40 -0.565 -0.150 -1.172 322 HD12 ILE 40 HD12 ILE 40 -1.911 -1.291 -1.273 323 HD13 ILE 40 HD13 ILE 40 -0.492 -1.711 -0.337 324 H ASN 41 H ASN 41 -5.977 0.768 0.837 325 HA ASN 41 HA ASN 41 -6.483 3.595 0.427 326 HB2 ASN 41 HB2 ASN 41 -8.550 2.999 -0.617 327 HB3 ASN 41 HB3 ASN 41 -7.374 1.813 -1.156 328 HD21 ASN 41 HD21 ASN 41 -10.191 1.626 -1.171 329 HD22 ASN 41 HD22 ASN 41 -10.632 0.293 -0.149 330 H GLY 42 H GLY 42 -6.599 1.535 2.986 331 HA2 GLY 42 HA2 GLY 42 -7.319 1.771 5.142 332 HA3 GLY 42 HA3 GLY 42 -7.738 3.428 4.738 333 H ASP 43 H ASP 43 -9.008 0.169 3.964 334 HA ASP 43 HA ASP 43 -11.636 1.244 4.713 335 HB2 ASP 43 HB2 ASP 43 -12.794 -0.307 3.137 336 HB3 ASP 43 HB3 ASP 43 -11.793 0.881 2.330 337 H GLY 44 H GLY 44 -9.332 -0.923 5.556 338 HA2 GLY 44 HA2 GLY 44 -9.494 -2.024 7.628 339 HA3 GLY 44 HA3 GLY 44 -11.233 -2.133 7.389 340 H ALA 45 H ALA 45 -10.076 -2.981 4.518 341 HA ALA 45 HA ALA 45 -9.631 -5.775 5.263 342 HB1 ALA 45 HB1 ALA 45 -11.480 -4.789 3.096 343 HB2 ALA 45 HB2 ALA 45 -11.974 -5.524 4.625 344 HB3 ALA 45 HB3 ALA 45 -11.090 -6.477 3.433 345 H VAL 46 H VAL 46 -8.305 -6.934 3.788 346 HA VAL 46 HA VAL 46 -6.653 -5.250 2.165 347 HB VAL 46 HB VAL 46 -6.459 -8.176 2.895 348 HG11 VAL 46 HG11 VAL 46 -4.134 -7.922 2.222 349 HG12 VAL 46 HG12 VAL 46 -4.500 -6.239 1.765 350 HG13 VAL 46 HG13 VAL 46 -5.276 -7.589 0.899 351 HG21 VAL 46 HG21 VAL 46 -5.070 -5.805 4.151 352 HG22 VAL 46 HG22 VAL 46 -4.740 -7.501 4.516 353 HG23 VAL 46 HG23 VAL 46 -6.314 -6.804 4.903 354 H ASN 47 H ASN 47 -7.510 -4.928 0.190 355 HA ASN 47 HA ASN 47 -8.648 -7.184 -1.190 356 HB2 ASN 47 HB2 ASN 47 -10.432 -5.436 -1.992 357 HB3 ASN 47 HB3 ASN 47 -10.676 -6.331 -0.493 358 HD21 ASN 47 HD21 ASN 47 -11.833 -4.955 0.604 359 HD22 ASN 47 HD22 ASN 47 -11.435 -3.321 0.998 360 H GLY 48 H GLY 48 -9.306 -6.346 -3.481 361 HA2 GLY 48 HA2 GLY 48 -6.888 -5.788 -4.790 362 HA3 GLY 48 HA3 GLY 48 -8.456 -5.791 -5.565 363 H ARG 49 H ARG 49 -9.227 -3.688 -3.490 364 HA ARG 49 HA ARG 49 -8.739 -1.401 -5.056 365 HB2 ARG 49 HB2 ARG 49 -9.375 -1.407 -2.105 366 HB3 ARG 49 HB3 ARG 49 -9.614 -0.078 -3.213 367 HG2 ARG 49 HG2 ARG 49 -11.131 -1.908 -4.412 368 HG3 ARG 49 HG3 ARG 49 -11.179 -2.496 -2.761 369 HD2 ARG 49 HD2 ARG 49 -11.896 -0.315 -1.930 370 HD3 ARG 49 HD3 ARG 49 -11.885 0.305 -3.583 371 HE ARG 49 HE ARG 49 -13.551 -1.990 -3.011 372 HH11 ARG 49 HH11 ARG 49 -13.441 1.496 -3.709 373 HH12 ARG 49 HH12 ARG 49 -15.126 1.643 -3.905 374 HH21 ARG 49 HH21 ARG 49 -15.844 -1.754 -3.272 375 HH22 ARG 49 HH22 ARG 49 -16.512 -0.239 -3.673 376 H ASP 50 H ASP 50 -7.085 -2.806 -2.269 377 HA ASP 50 HA ASP 50 -5.321 -0.626 -1.772 378 HB2 ASP 50 HB2 ASP 50 -4.992 -3.538 -1.031 379 HB3 ASP 50 HB3 ASP 50 -4.157 -2.147 -0.347 380 H LEU 51 H LEU 51 -5.299 -3.558 -3.535 381 HA LEU 51 HA LEU 51 -2.619 -3.649 -4.343 382 HB2 LEU 51 HB2 LEU 51 -4.068 -5.557 -4.585 383 HB3 LEU 51 HB3 LEU 51 -5.137 -4.666 -5.637 384 HG LEU 51 HG LEU 51 -3.487 -4.715 -7.428 385 HD11 LEU 51 HD11 LEU 51 -1.785 -6.333 -5.541 386 HD12 LEU 51 HD12 LEU 51 -1.440 -4.667 -6.017 387 HD13 LEU 51 HD13 LEU 51 -1.417 -5.957 -7.219 388 HD21 LEU 51 HD21 LEU 51 -3.503 -7.109 -7.842 389 HD22 LEU 51 HD22 LEU 51 -5.055 -6.574 -7.171 390 HD23 LEU 51 HD23 LEU 51 -3.863 -7.381 -6.140 391 H MET 52 H MET 52 -5.476 -2.256 -5.861 392 HA MET 52 HA MET 52 -4.148 -1.103 -8.077 393 HB2 MET 52 HB2 MET 52 -6.758 -0.377 -6.763 394 HB3 MET 52 HB3 MET 52 -6.192 0.366 -8.252 395 HG2 MET 52 HG2 MET 52 -6.163 -1.841 -9.317 396 HG3 MET 52 HG3 MET 52 -6.750 -2.549 -7.812 397 HE1 MET 52 HE1 MET 52 -9.791 -2.819 -10.270 398 HE2 MET 52 HE2 MET 52 -8.661 -3.706 -9.245 399 HE3 MET 52 HE3 MET 52 -8.090 -2.916 -10.712 400 H GLU 53 H GLU 53 -4.757 0.078 -4.838 401 HA GLU 53 HA GLU 53 -3.798 2.699 -5.208 402 HB2 GLU 53 HB2 GLU 53 -3.653 0.971 -2.740 403 HB3 GLU 53 HB3 GLU 53 -3.310 2.696 -2.774 404 HG2 GLU 53 HG2 GLU 53 -5.936 1.307 -3.205 405 HG3 GLU 53 HG3 GLU 53 -5.478 2.401 -1.898 406 H LEU 54 H LEU 54 -2.229 -0.257 -4.157 407 HA LEU 54 HA LEU 54 0.301 0.695 -3.740 408 HB2 LEU 54 HB2 LEU 54 -0.604 -1.522 -3.110 409 HB3 LEU 54 HB3 LEU 54 -0.460 -2.007 -4.771 410 HG LEU 54 HG LEU 54 1.940 -1.860 -4.708 411 HD11 LEU 54 HD11 LEU 54 1.585 -0.968 -1.847 412 HD12 LEU 54 HD12 LEU 54 2.204 0.022 -3.175 413 HD13 LEU 54 HD13 LEU 54 3.117 -1.373 -2.611 414 HD21 LEU 54 HD21 LEU 54 0.816 -3.320 -2.336 415 HD22 LEU 54 HD22 LEU 54 2.375 -3.628 -3.097 416 HD23 LEU 54 HD23 LEU 54 0.880 -3.915 -3.992 417 H ILE 55 H ILE 55 -1.045 -0.782 -6.634 418 HA ILE 55 HA ILE 55 1.153 -0.580 -8.413 419 HB ILE 55 HB ILE 55 -1.782 -0.186 -9.083 420 HG12 ILE 55 HG12 ILE 55 -0.134 -2.734 -9.196 421 HG13 ILE 55 HG13 ILE 55 -1.280 -2.339 -7.931 422 HG21 ILE 55 HG21 ILE 55 -0.332 0.579 -10.904 423 HG22 ILE 55 HG22 ILE 55 -1.160 -0.907 -11.376 424 HG23 ILE 55 HG23 ILE 55 0.531 -0.962 -10.883 425 HD11 ILE 55 HD11 ILE 55 -1.954 -2.779 -10.835 426 HD12 ILE 55 HD12 ILE 55 -3.108 -2.381 -9.561 427 HD13 ILE 55 HD13 ILE 55 -2.237 -3.909 -9.510 428 H LYS 56 H LYS 56 -1.363 1.774 -7.732 429 HA LYS 56 HA LYS 56 -0.426 3.843 -9.360 430 HB2 LYS 56 HB2 LYS 56 -2.604 4.060 -8.614 431 HB3 LYS 56 HB3 LYS 56 -2.175 3.634 -6.970 432 HG2 LYS 56 HG2 LYS 56 -1.332 5.793 -6.526 433 HG3 LYS 56 HG3 LYS 56 -1.394 6.246 -8.233 434 HD2 LYS 56 HD2 LYS 56 -3.230 7.287 -6.952 435 HD3 LYS 56 HD3 LYS 56 -3.830 6.181 -8.180 436 HE2 LYS 56 HE2 LYS 56 -3.489 5.267 -5.336 437 HE3 LYS 56 HE3 LYS 56 -4.916 6.184 -5.800 438 HZ1 LYS 56 HZ1 LYS 56 -4.102 3.531 -6.957 439 HZ2 LYS 56 HZ2 LYS 56 -5.414 4.434 -7.446 440 HZ3 LYS 56 HZ3 LYS 56 -5.384 3.830 -5.902 441 H LYS 57 H LYS 57 0.419 3.068 -6.018 442 HA LYS 57 HA LYS 57 2.000 5.378 -5.474 443 HB2 LYS 57 HB2 LYS 57 2.436 2.635 -4.285 444 HB3 LYS 57 HB3 LYS 57 2.835 4.182 -3.572 445 HG2 LYS 57 HG2 LYS 57 0.059 3.079 -3.987 446 HG3 LYS 57 HG3 LYS 57 0.974 3.104 -2.482 447 HD2 LYS 57 HD2 LYS 57 0.085 5.554 -4.018 448 HD3 LYS 57 HD3 LYS 57 -0.763 4.860 -2.651 449 HE2 LYS 57 HE2 LYS 57 1.259 5.107 -1.256 450 HE3 LYS 57 HE3 LYS 57 2.039 5.967 -2.584 451 HZ1 LYS 57 HZ1 LYS 57 0.245 7.650 -2.441 452 HZ2 LYS 57 HZ2 LYS 57 1.101 7.518 -0.992 453 HZ3 LYS 57 HZ3 LYS 57 -0.399 6.806 -1.128 454 H VAL 58 H VAL 58 2.828 2.074 -6.364 455 HA VAL 58 HA VAL 58 5.599 2.434 -6.488 456 HB VAL 58 HB VAL 58 3.709 0.281 -7.349 457 HG11 VAL 58 HG11 VAL 58 5.768 0.065 -8.714 458 HG12 VAL 58 HG12 VAL 58 5.648 -1.238 -7.528 459 HG13 VAL 58 HG13 VAL 58 6.733 0.121 -7.241 460 HG21 VAL 58 HG21 VAL 58 4.592 -0.807 -5.310 461 HG22 VAL 58 HG22 VAL 58 3.813 0.746 -5.003 462 HG23 VAL 58 HG23 VAL 58 5.566 0.633 -5.017 463 H SER 59 H SER 59 3.117 2.528 -8.982 464 HA SER 59 HA SER 59 4.954 2.443 -11.123 465 HB2 SER 59 HB2 SER 59 3.061 3.407 -12.525 466 HB3 SER 59 HB3 SER 59 2.662 1.929 -11.652 467 HG SER 59 HG SER 59 1.447 2.999 -10.305 468 H ASN 60 H ASN 60 3.642 5.005 -9.159 469 HA ASN 60 HA ASN 60 4.619 7.172 -10.692 470 HB2 ASN 60 HB2 ASN 60 2.643 7.322 -9.317 471 HB3 ASN 60 HB3 ASN 60 3.575 6.907 -7.887 472 HD21 ASN 60 HD21 ASN 60 3.098 8.698 -6.820 473 HD22 ASN 60 HD22 ASN 60 3.726 10.255 -7.247 474 H ASN 61 H ASN 61 5.618 5.556 -7.643 475 HA ASN 61 HA ASN 61 7.904 7.348 -7.565 476 HB2 ASN 61 HB2 ASN 61 6.577 7.156 -5.503 477 HB3 ASN 61 HB3 ASN 61 6.949 5.444 -5.437 478 HD21 ASN 61 HD21 ASN 61 9.184 8.048 -6.271 479 HD22 ASN 61 HD22 ASN 61 10.247 7.792 -4.935 480 H THR 62 H THR 62 7.959 3.944 -6.339 481 HA THR 62 HA THR 62 10.435 3.633 -7.877 482 HB THR 62 HB THR 62 9.957 2.889 -4.977 483 HG1 THR 62 HG1 THR 62 10.339 4.955 -4.760 484 HG21 THR 62 HG21 THR 62 11.575 1.421 -6.123 485 HG22 THR 62 HG22 THR 62 12.356 2.433 -4.908 486 HG23 THR 62 HG23 THR 62 12.501 2.843 -6.619 487 H SER 63 H SER 63 10.732 1.535 -8.685 488 HA SER 63 HA SER 63 8.782 -0.465 -7.852 489 HB2 SER 63 HB2 SER 63 10.137 -0.159 -10.548 490 HB3 SER 63 HB3 SER 63 9.004 -1.440 -10.108 491 HG SER 63 HG SER 63 8.101 1.070 -9.571
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