NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570831 | 2m97 | 19285 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 -16.564 0.086 4.055 2 H2 SER 1 2H SER 1 -16.482 -0.673 5.346 3 H3 SER 1 3H SER 1 -15.913 0.711 5.254 4 HA SER 1 HA SER 1 -14.433 -1.725 4.686 5 HB2 SER 1 1HB SER 1 -14.702 0.079 2.358 6 HB3 SER 1 2HB SER 1 -13.587 -1.293 2.553 7 HG SER 1 HG SER 1 -15.504 -1.857 1.434 8 H GLU 2 H GLU 2 -14.535 1.836 4.373 9 HA GLU 2 HA GLU 2 -11.681 2.209 4.432 10 HB2 GLU 2 1HB GLU 2 -13.988 4.040 5.095 11 HB3 GLU 2 2HB GLU 2 -12.285 4.555 5.048 12 HG2 GLU 2 1HG GLU 2 -12.201 3.981 2.587 13 HG3 GLU 2 2HG GLU 2 -13.860 3.376 2.798 14 H GLU 3 H GLU 3 -14.107 1.907 6.952 15 HA GLU 3 HA GLU 3 -12.428 2.804 9.123 16 HB2 GLU 3 1HB GLU 3 -14.805 0.946 8.995 17 HB3 GLU 3 2HB GLU 3 -14.007 1.437 10.509 18 HG2 GLU 3 1HG GLU 3 -14.633 3.839 10.039 19 HG3 GLU 3 2HG GLU 3 -15.276 3.241 8.492 20 H GLU 4 H GLU 4 -12.885 -0.323 7.540 21 HA GLU 4 HA GLU 4 -11.086 -1.704 9.393 22 HB2 GLU 4 1HB GLU 4 -12.189 -2.417 6.673 23 HB3 GLU 4 2HB GLU 4 -11.159 -3.486 7.657 24 HG2 GLU 4 1HG GLU 4 -12.962 -3.507 9.447 25 HG3 GLU 4 2HG GLU 4 -13.840 -2.383 8.386 26 H LEU 5 H LEU 5 -10.796 -0.053 6.296 27 HA LEU 5 HA LEU 5 -8.075 -0.919 5.795 28 HB2 LEU 5 1HB LEU 5 -10.008 0.972 4.823 29 HB3 LEU 5 2HB LEU 5 -8.351 1.491 4.435 30 HG LEU 5 HG LEU 5 -7.944 -0.462 3.125 31 HD11 LEU 5 1HD1 LEU 5 -9.640 -2.299 2.916 32 HD12 LEU 5 2HD1 LEU 5 -9.107 -2.101 4.602 33 HD13 LEU 5 3HD1 LEU 5 -10.681 -1.450 4.083 34 HD21 LEU 5 3HD2 LEU 5 -9.195 1.273 1.984 35 HD22 LEU 5 1HD2 LEU 5 -9.697 -0.327 1.388 36 HD23 LEU 5 2HD2 LEU 5 -10.734 0.565 2.529 37 H SER 6 H SER 6 -9.512 1.592 7.743 38 HA SER 6 HA SER 6 -7.182 3.205 8.294 39 HB2 SER 6 1HB SER 6 -9.554 2.584 9.945 40 HB3 SER 6 2HB SER 6 -8.277 3.761 10.329 41 HG SER 6 HG SER 6 -10.066 4.709 9.259 42 H GLU 7 H GLU 7 -8.495 0.231 9.811 43 HA GLU 7 HA GLU 7 -6.366 -0.026 11.753 44 HB2 GLU 7 1HB GLU 7 -8.305 -2.012 10.562 45 HB3 GLU 7 2HB GLU 7 -7.154 -2.395 11.866 46 HG2 GLU 7 1HG GLU 7 -8.310 -0.737 13.365 47 HG3 GLU 7 2HG GLU 7 -9.288 -0.304 11.944 48 H CYS 8 H CYS 8 -6.899 -1.453 8.535 49 HA CYS 8 HA CYS 8 -4.546 -3.104 8.410 50 HB2 CYS 8 1HB CYS 8 -6.264 -1.575 6.411 51 HB3 CYS 8 2HB CYS 8 -5.051 -2.796 5.956 52 HG CYS 8 HG CYS 8 -7.398 -3.717 5.650 53 H PHE 9 H PHE 9 -5.149 0.314 7.520 54 HA PHE 9 HA PHE 9 -2.597 0.897 6.412 55 HB2 PHE 9 1HB PHE 9 -4.500 2.455 6.242 56 HB3 PHE 9 2HB PHE 9 -4.464 2.711 8.001 57 HD1 PHE 9 1HD PHE 9 -2.610 3.243 4.850 58 HD2 PHE 9 2HD PHE 9 -2.996 4.238 8.987 59 HE1 PHE 9 1HE PHE 9 -1.035 5.122 4.544 60 HE2 PHE 9 2HE PHE 9 -1.423 6.120 8.683 61 HZ PHE 9 HZ PHE 9 -0.440 6.561 6.460 62 H ARG 10 H ARG 10 -3.706 1.165 9.793 63 HA ARG 10 HA ARG 10 -1.180 2.102 10.806 64 HB2 ARG 10 1HB ARG 10 -3.467 0.741 12.148 65 HB3 ARG 10 2HB ARG 10 -2.001 1.307 12.983 66 HG2 ARG 10 1HG ARG 10 -2.468 3.601 12.316 67 HG3 ARG 10 2HG ARG 10 -3.887 3.065 11.384 68 HD2 ARG 10 1HD ARG 10 -4.949 2.336 13.434 69 HD3 ARG 10 2HD ARG 10 -3.534 2.891 14.359 70 HE ARG 10 HE ARG 10 -4.595 5.200 13.003 71 HH11 ARG 10 1HH1 ARG 10 -5.681 2.931 15.418 72 HH12 ARG 10 2HH1 ARG 10 -6.680 4.174 16.146 73 HH21 ARG 10 1HH2 ARG 10 -5.739 6.632 13.820 74 HH22 ARG 10 2HH2 ARG 10 -6.714 6.285 15.235 75 H ILE 11 H ILE 11 -2.505 -1.138 10.297 76 HA ILE 11 HA ILE 11 -0.280 -2.542 11.519 77 HB ILE 11 HB ILE 11 -2.301 -3.358 9.385 78 HG12 ILE 11 1HG1 ILE 11 -2.085 -4.228 12.250 79 HG13 ILE 11 2HG1 ILE 11 -3.084 -2.863 11.700 80 HG21 ILE 11 1HG2 ILE 11 -1.516 -5.669 9.777 81 HG22 ILE 11 2HG2 ILE 11 -0.208 -4.649 9.137 82 HG23 ILE 11 3HG2 ILE 11 -0.252 -5.056 10.869 83 HD11 ILE 11 3HD1 ILE 11 -3.373 -5.751 10.804 84 HD12 ILE 11 1HD1 ILE 11 -4.435 -4.908 11.953 85 HD13 ILE 11 2HD1 ILE 11 -4.370 -4.385 10.252 86 H PHE 12 H PHE 12 -0.851 -1.295 8.268 87 HA PHE 12 HA PHE 12 1.464 -2.764 7.210 88 HB2 PHE 12 1HB PHE 12 -0.350 -0.654 5.961 89 HB3 PHE 12 2HB PHE 12 0.905 -1.570 5.097 90 HD1 PHE 12 1HD PHE 12 0.178 -4.135 6.857 91 HD2 PHE 12 2HD PHE 12 -1.977 -1.442 4.337 92 HE1 PHE 12 1HE PHE 12 -1.462 -5.916 6.360 93 HE2 PHE 12 2HE PHE 12 -3.622 -3.220 3.840 94 HZ PHE 12 HZ PHE 12 -3.362 -5.458 4.850 95 H ASP 13 H ASP 13 0.795 0.431 8.455 96 HA ASP 13 HA ASP 13 3.334 1.557 7.526 97 HB2 ASP 13 1HB ASP 13 1.215 2.953 8.132 98 HB3 ASP 13 2HB ASP 13 1.604 2.372 9.770 99 H LYS 14 H LYS 14 4.726 -0.179 8.178 100 HA LYS 14 HA LYS 14 4.986 -0.893 10.977 101 HB2 LYS 14 1HB LYS 14 6.784 -1.266 8.581 102 HB3 LYS 14 2HB LYS 14 7.140 -1.905 10.203 103 HG2 LYS 14 1HG LYS 14 5.105 -3.272 10.127 104 HG3 LYS 14 2HG LYS 14 4.713 -2.613 8.521 105 HD2 LYS 14 1HD LYS 14 6.801 -3.571 7.623 106 HD3 LYS 14 2HD LYS 14 7.179 -4.239 9.227 107 HE2 LYS 14 1HE LYS 14 5.170 -5.619 9.157 108 HE3 LYS 14 2HE LYS 14 4.714 -4.910 7.592 109 HZ1 LYS 14 3HZ LYS 14 7.128 -6.525 8.104 110 HZ2 LYS 14 1HZ LYS 14 5.772 -7.049 7.325 111 HZ3 LYS 14 2HZ LYS 14 6.706 -5.868 6.651 112 H ASP 15 H ASP 15 6.572 1.453 8.873 113 HA ASP 15 HA ASP 15 8.618 2.161 10.815 114 HB2 ASP 15 1HB ASP 15 7.581 3.635 8.320 115 HB3 ASP 15 2HB ASP 15 8.814 4.153 9.496 116 H GLY 16 H GLY 16 5.321 3.178 10.209 117 HA2 GLY 16 1HA GLY 16 3.918 4.396 11.617 118 HA3 GLY 16 2HA GLY 16 5.261 4.568 12.771 119 H ASN 17 H ASN 17 5.135 5.488 9.329 120 HA ASN 17 HA ASN 17 6.136 8.180 10.124 121 HB2 ASN 17 1HB ASN 17 6.193 6.917 7.280 122 HB3 ASN 17 2HB ASN 17 6.535 8.515 7.986 123 HD21 ASN 17 2HD2 ASN 17 8.162 6.319 6.646 124 HD22 ASN 17 1HD2 ASN 17 9.522 6.110 7.699 125 H GLY 18 H GLY 18 3.235 6.686 9.322 126 HA2 GLY 18 1HA GLY 18 1.150 7.816 9.275 127 HA3 GLY 18 2HA GLY 18 1.989 9.333 8.879 128 H PHE 19 H PHE 19 3.076 6.640 7.086 129 HA PHE 19 HA PHE 19 1.035 6.670 5.006 130 HB2 PHE 19 1HB PHE 19 2.473 7.604 3.219 131 HB3 PHE 19 2HB PHE 19 2.156 8.819 4.479 132 HD1 PHE 19 1HD PHE 19 4.668 6.556 3.029 133 HD2 PHE 19 2HD PHE 19 3.895 9.710 5.807 134 HE1 PHE 19 1HE PHE 19 7.099 6.945 3.264 135 HE2 PHE 19 2HE PHE 19 6.326 10.102 6.042 136 HZ PHE 19 HZ PHE 19 7.927 8.718 4.769 137 H ILE 20 H ILE 20 1.728 5.407 3.076 138 HA ILE 20 HA ILE 20 3.250 3.032 4.063 139 HB ILE 20 HB ILE 20 1.484 3.399 1.599 140 HG12 ILE 20 1HG1 ILE 20 0.187 3.553 3.593 141 HG13 ILE 20 2HG1 ILE 20 -0.126 2.020 2.748 142 HG21 ILE 20 1HG2 ILE 20 1.630 0.938 1.430 143 HG22 ILE 20 2HG2 ILE 20 3.240 1.684 1.302 144 HG23 ILE 20 3HG2 ILE 20 2.739 0.907 2.822 145 HD11 ILE 20 3HD1 ILE 20 1.628 2.370 5.204 146 HD12 ILE 20 1HD1 ILE 20 -0.012 1.685 5.186 147 HD13 ILE 20 2HD1 ILE 20 1.316 0.836 4.359 148 H ASP 21 H ASP 21 5.236 2.725 3.627 149 HA ASP 21 HA ASP 21 6.555 4.241 1.479 150 HB2 ASP 21 1HB ASP 21 7.524 3.363 3.890 151 HB3 ASP 21 2HB ASP 21 7.761 1.961 2.816 152 H ARG 22 H ARG 22 8.104 3.065 0.030 153 HA ARG 22 HA ARG 22 6.589 1.345 -1.713 154 HB2 ARG 22 1HB ARG 22 8.329 2.847 -2.470 155 HB3 ARG 22 2HB ARG 22 9.538 1.804 -1.687 156 HG2 ARG 22 1HG ARG 22 8.844 -0.067 -3.143 157 HG3 ARG 22 2HG ARG 22 7.675 1.009 -3.947 158 HD2 ARG 22 1HD ARG 22 9.577 0.786 -5.321 159 HD3 ARG 22 2HD ARG 22 9.557 2.430 -4.642 160 HE ARG 22 HE ARG 22 11.682 1.867 -3.523 161 HH11 ARG 22 1HH1 ARG 22 10.208 -1.040 -4.763 162 HH12 ARG 22 2HH1 ARG 22 11.689 -1.927 -4.461 163 HH21 ARG 22 1HH2 ARG 22 13.382 0.863 -3.164 164 HH22 ARG 22 2HH2 ARG 22 13.500 -0.843 -3.548 165 H GLU 23 H GLU 23 9.192 0.681 0.621 166 HA GLU 23 HA GLU 23 9.235 -2.167 0.089 167 HB2 GLU 23 1HB GLU 23 10.138 -0.497 2.436 168 HB3 GLU 23 2HB GLU 23 10.381 -2.256 2.314 169 HG2 GLU 23 1HG GLU 23 11.822 -1.898 0.272 170 HG3 GLU 23 2HG GLU 23 11.390 -0.179 0.416 171 H GLU 24 H GLU 24 7.492 -0.128 2.403 172 HA GLU 24 HA GLU 24 6.215 -2.315 3.790 173 HB2 GLU 24 1HB GLU 24 5.454 0.576 3.365 174 HB3 GLU 24 2HB GLU 24 4.525 -0.557 4.377 175 HG2 GLU 24 1HG GLU 24 6.479 -0.793 5.926 176 HG3 GLU 24 2HG GLU 24 7.405 0.151 4.737 177 H PHE 25 H PHE 25 5.424 -0.506 0.861 178 HA PHE 25 HA PHE 25 2.820 -1.687 0.471 179 HB2 PHE 25 1HB PHE 25 3.539 0.347 -0.739 180 HB3 PHE 25 2HB PHE 25 4.800 -0.590 -1.573 181 HD1 PHE 25 1HD PHE 25 1.123 -0.339 -1.101 182 HD2 PHE 25 2HD PHE 25 4.355 -1.668 -3.558 183 HE1 PHE 25 1HE PHE 25 -0.476 -0.881 -2.907 184 HE2 PHE 25 2HE PHE 25 2.760 -2.209 -5.368 185 HZ PHE 25 HZ PHE 25 0.343 -1.816 -5.041 186 H GLY 26 H GLY 26 6.080 -2.642 -0.577 187 HA2 GLY 26 1HA GLY 26 5.407 -4.907 -2.100 188 HA3 GLY 26 2HA GLY 26 6.881 -4.742 -1.117 189 H ASP 27 H ASP 27 5.689 -4.537 1.432 190 HA ASP 27 HA ASP 27 5.120 -7.304 2.052 191 HB2 ASP 27 1HB ASP 27 4.822 -4.751 3.746 192 HB3 ASP 27 2HB ASP 27 4.459 -6.440 4.183 193 H ILE 28 H ILE 28 3.082 -4.416 1.703 194 HA ILE 28 HA ILE 28 0.609 -5.602 2.502 195 HB ILE 28 HB ILE 28 1.226 -3.427 0.456 196 HG12 ILE 28 1HG1 ILE 28 0.120 -3.262 3.247 197 HG13 ILE 28 2HG1 ILE 28 1.817 -2.985 2.792 198 HG21 ILE 28 1HG2 ILE 28 -1.178 -2.869 0.576 199 HG22 ILE 28 2HG2 ILE 28 -0.934 -4.509 -0.068 200 HG23 ILE 28 3HG2 ILE 28 -1.455 -4.284 1.619 201 HD11 ILE 28 3HD1 ILE 28 -0.568 -1.368 1.828 202 HD12 ILE 28 1HD1 ILE 28 0.609 -0.855 3.059 203 HD13 ILE 28 2HD1 ILE 28 1.130 -1.092 1.373 204 H ILE 29 H ILE 29 2.163 -5.552 -0.690 205 HA ILE 29 HA ILE 29 0.087 -6.910 -2.100 206 HB ILE 29 HB ILE 29 3.116 -7.006 -2.464 207 HG12 ILE 29 1HG1 ILE 29 2.221 -4.807 -2.701 208 HG13 ILE 29 2HG1 ILE 29 2.743 -5.458 -4.272 209 HG21 ILE 29 1HG2 ILE 29 2.622 -7.863 -4.728 210 HG22 ILE 29 2HG2 ILE 29 2.028 -8.981 -3.478 211 HG23 ILE 29 3HG2 ILE 29 0.888 -7.914 -4.332 212 HD11 ILE 29 3HD1 ILE 29 -0.124 -5.295 -3.279 213 HD12 ILE 29 1HD1 ILE 29 0.623 -4.221 -4.483 214 HD13 ILE 29 2HD1 ILE 29 0.398 -5.947 -4.850 215 H ARG 30 H ARG 30 2.805 -8.261 -0.255 216 HA ARG 30 HA ARG 30 2.016 -11.005 -0.674 217 HB2 ARG 30 1HB ARG 30 4.227 -10.416 -0.001 218 HB3 ARG 30 2HB ARG 30 3.606 -9.801 1.548 219 HG2 ARG 30 1HG ARG 30 2.856 -12.039 2.165 220 HG3 ARG 30 2HG ARG 30 3.397 -12.672 0.591 221 HD2 ARG 30 1HD ARG 30 5.680 -12.166 1.159 222 HD3 ARG 30 2HD ARG 30 5.154 -11.492 2.719 223 HE ARG 30 HE ARG 30 4.378 -14.300 2.593 224 HH11 ARG 30 1HH1 ARG 30 7.240 -12.328 2.891 225 HH12 ARG 30 2HH1 ARG 30 8.029 -13.601 3.800 226 HH21 ARG 30 1HH2 ARG 30 5.273 -15.770 3.626 227 HH22 ARG 30 2HH2 ARG 30 6.909 -15.565 4.220 228 H LEU 31 H LEU 31 1.118 -8.568 1.727 229 HA LEU 31 HA LEU 31 -0.147 -10.519 3.485 230 HB2 LEU 31 1HB LEU 31 -0.189 -7.589 3.220 231 HB3 LEU 31 2HB LEU 31 -1.050 -8.339 4.585 232 HG LEU 31 HG LEU 31 1.943 -8.478 4.046 233 HD11 LEU 31 1HD1 LEU 31 2.123 -7.103 6.136 234 HD12 LEU 31 2HD1 LEU 31 1.191 -6.253 4.883 235 HD13 LEU 31 3HD1 LEU 31 0.347 -7.047 6.234 236 HD21 LEU 31 3HD2 LEU 31 1.122 -10.520 5.062 237 HD22 LEU 31 1HD2 LEU 31 2.078 -9.596 6.245 238 HD23 LEU 31 2HD2 LEU 31 0.299 -9.589 6.338 239 H THR 32 H THR 32 -1.143 -8.695 0.716 240 HA THR 32 HA THR 32 -4.009 -9.256 1.260 241 HB THR 32 HB THR 32 -4.405 -8.059 -0.876 242 HG1 THR 32 1HG THR 32 -2.555 -7.062 -1.874 243 HG21 THR 32 1HG2 THR 32 -3.653 -5.825 -0.139 244 HG22 THR 32 2HG2 THR 32 -4.287 -6.771 1.229 245 HG23 THR 32 3HG2 THR 32 -2.531 -6.584 1.015 246 H GLY 33 H GLY 33 -1.353 -10.794 -0.142 247 HA2 GLY 33 1HA GLY 33 -1.334 -12.978 -0.974 248 HA3 GLY 33 2HA GLY 33 -3.112 -12.967 -1.005 249 H GLU 34 H GLU 34 -1.218 -10.411 -2.479 250 HA GLU 34 HA GLU 34 -2.314 -11.199 -5.135 251 HB2 GLU 34 1HB GLU 34 -2.669 -8.912 -4.307 252 HB3 GLU 34 2HB GLU 34 -0.906 -8.685 -4.220 253 HG2 GLU 34 1HG GLU 34 -1.594 -7.633 -6.324 254 HG3 GLU 34 2HG GLU 34 -0.830 -9.208 -6.633 255 H GLN 35 H GLN 35 -1.177 -11.912 -6.775 256 HA GLN 35 HA GLN 35 1.669 -12.551 -6.216 257 HB2 GLN 35 1HB GLN 35 0.076 -14.299 -6.970 258 HB3 GLN 35 2HB GLN 35 -0.147 -13.392 -8.485 259 HG2 GLN 35 1HG GLN 35 1.664 -15.147 -9.053 260 HG3 GLN 35 2HG GLN 35 2.169 -13.465 -8.768 261 HE21 GLN 35 2HE2 GLN 35 4.305 -14.178 -8.344 262 HE22 GLN 35 1HE2 GLN 35 4.720 -14.929 -6.839 263 H LEU 36 H LEU 36 2.617 -10.536 -6.461 264 HA LEU 36 HA LEU 36 2.915 -9.783 -9.349 265 HB2 LEU 36 1HB LEU 36 3.162 -8.193 -6.880 266 HB3 LEU 36 2HB LEU 36 3.530 -7.467 -8.461 267 HG LEU 36 HG LEU 36 0.820 -8.453 -7.488 268 HD11 LEU 36 1HD1 LEU 36 0.178 -6.035 -7.698 269 HD12 LEU 36 2HD1 LEU 36 1.513 -6.252 -6.542 270 HD13 LEU 36 3HD1 LEU 36 1.845 -5.650 -8.184 271 HD21 LEU 36 3HD2 LEU 36 1.105 -8.924 -9.850 272 HD22 LEU 36 1HD2 LEU 36 -0.058 -7.594 -9.633 273 HD23 LEU 36 2HD2 LEU 36 1.609 -7.245 -10.154 274 H THR 37 H THR 37 4.947 -9.211 -10.102 275 HA THR 37 HA THR 37 7.197 -10.451 -8.652 276 HB THR 37 HB THR 37 8.524 -9.897 -10.604 277 HG1 THR 37 1HG THR 37 7.372 -8.711 -12.350 278 HG21 THR 37 1HG2 THR 37 7.234 -11.021 -12.385 279 HG22 THR 37 2HG2 THR 37 7.018 -11.844 -10.822 280 HG23 THR 37 3HG2 THR 37 5.738 -10.782 -11.452 281 H ASP 38 H ASP 38 9.303 -9.219 -8.621 282 HA ASP 38 HA ASP 38 9.089 -7.042 -6.802 283 HB2 ASP 38 1HB ASP 38 11.439 -7.874 -8.608 284 HB3 ASP 38 2HB ASP 38 11.355 -6.567 -7.401 285 H GLU 39 H GLU 39 9.271 -7.089 -10.322 286 HA GLU 39 HA GLU 39 9.540 -4.170 -10.497 287 HB2 GLU 39 1HB GLU 39 8.925 -6.316 -12.534 288 HB3 GLU 39 2HB GLU 39 9.100 -4.584 -12.912 289 HG2 GLU 39 1HG GLU 39 11.510 -4.690 -12.127 290 HG3 GLU 39 2HG GLU 39 11.163 -6.382 -11.708 291 H ASP 40 H ASP 40 6.935 -6.554 -10.877 292 HA ASP 40 HA ASP 40 4.971 -4.696 -11.835 293 HB2 ASP 40 1HB ASP 40 4.630 -7.368 -10.346 294 HB3 ASP 40 2HB ASP 40 3.383 -6.264 -10.978 295 H VAL 41 H VAL 41 5.931 -5.656 -8.567 296 HA VAL 41 HA VAL 41 3.830 -4.227 -7.179 297 HB VAL 41 HB VAL 41 6.649 -5.015 -6.343 298 HG11 VAL 41 1HG1 VAL 41 5.904 -4.513 -4.041 299 HG12 VAL 41 2HG1 VAL 41 5.869 -3.053 -5.057 300 HG13 VAL 41 3HG1 VAL 41 4.355 -3.907 -4.673 301 HG21 VAL 41 3HG2 VAL 41 5.190 -6.900 -6.777 302 HG22 VAL 41 1HG2 VAL 41 5.511 -6.736 -5.034 303 HG23 VAL 41 2HG2 VAL 41 3.949 -6.210 -5.704 304 H ASP 42 H ASP 42 7.078 -3.243 -8.219 305 HA ASP 42 HA ASP 42 6.876 -0.595 -7.086 306 HB2 ASP 42 1HB ASP 42 8.646 -1.698 -9.348 307 HB3 ASP 42 2HB ASP 42 8.564 -0.042 -8.698 308 H GLU 43 H GLU 43 5.920 -1.989 -10.181 309 HA GLU 43 HA GLU 43 5.297 0.519 -11.465 310 HB2 GLU 43 1HB GLU 43 4.326 -2.310 -11.857 311 HB3 GLU 43 2HB GLU 43 3.789 -0.944 -12.864 312 HG2 GLU 43 1HG GLU 43 6.152 -0.602 -13.656 313 HG3 GLU 43 2HG GLU 43 6.608 -1.854 -12.479 314 H ILE 44 H ILE 44 3.298 -1.789 -9.625 315 HA ILE 44 HA ILE 44 0.883 -0.191 -9.821 316 HB ILE 44 HB ILE 44 1.736 -2.310 -7.797 317 HG12 ILE 44 1HG1 ILE 44 1.624 -3.173 -10.019 318 HG13 ILE 44 2HG1 ILE 44 0.288 -3.794 -9.022 319 HG21 ILE 44 1HG2 ILE 44 -0.665 -2.426 -7.223 320 HG22 ILE 44 2HG2 ILE 44 -0.004 -0.810 -6.886 321 HG23 ILE 44 3HG2 ILE 44 -0.997 -1.079 -8.337 322 HD11 ILE 44 3HD1 ILE 44 0.084 -1.572 -11.086 323 HD12 ILE 44 1HD1 ILE 44 -0.481 -3.245 -11.298 324 HD13 ILE 44 2HD1 ILE 44 -1.252 -2.192 -10.088 325 H PHE 45 H PHE 45 3.513 -0.311 -7.466 326 HA PHE 45 HA PHE 45 2.411 1.536 -5.596 327 HB2 PHE 45 1HB PHE 45 4.488 0.257 -5.165 328 HB3 PHE 45 2HB PHE 45 5.319 1.173 -6.442 329 HD1 PHE 45 1HD PHE 45 3.700 1.450 -3.129 330 HD2 PHE 45 2HD PHE 45 6.259 3.263 -6.030 331 HE1 PHE 45 1HE PHE 45 4.369 3.157 -1.470 332 HE2 PHE 45 2HE PHE 45 6.932 4.970 -4.373 333 HZ PHE 45 HZ PHE 45 5.985 4.917 -2.092 334 H GLY 46 H GLY 46 4.397 2.151 -8.499 335 HA2 GLY 46 1HA GLY 46 4.393 4.998 -8.204 336 HA3 GLY 46 2HA GLY 46 4.722 4.098 -9.703 337 H ASP 47 H ASP 47 2.160 2.716 -9.719 338 HA ASP 47 HA ASP 47 0.547 4.685 -11.086 339 HB2 ASP 47 1HB ASP 47 -0.120 1.837 -10.131 340 HB3 ASP 47 2HB ASP 47 -1.162 3.011 -10.972 341 H SER 48 H SER 48 0.453 3.298 -7.831 342 HA SER 48 HA SER 48 -2.031 4.727 -7.071 343 HB2 SER 48 1HB SER 48 -1.766 3.811 -4.991 344 HB3 SER 48 2HB SER 48 -1.541 2.565 -6.239 345 HG SER 48 HG SER 48 0.718 2.795 -5.913 346 H ASP 49 H ASP 49 1.398 5.355 -7.173 347 HA ASP 49 HA ASP 49 1.347 7.489 -5.164 348 HB2 ASP 49 1HB ASP 49 3.474 6.144 -5.863 349 HB3 ASP 49 2HB ASP 49 3.223 7.025 -7.390 350 H THR 50 H THR 50 -0.571 8.557 -5.978 351 HA THR 50 HA THR 50 -0.617 9.792 -8.579 352 HB THR 50 HB THR 50 -2.082 10.569 -6.021 353 HG1 THR 50 1HG THR 50 -3.378 8.971 -6.525 354 HG21 THR 50 1HG2 THR 50 -3.652 11.711 -7.547 355 HG22 THR 50 2HG2 THR 50 -2.015 12.400 -7.679 356 HG23 THR 50 3HG2 THR 50 -2.617 11.287 -8.931 357 H ASP 51 H ASP 51 0.549 10.880 -5.422 358 HA ASP 51 HA ASP 51 1.008 13.614 -6.385 359 HB2 ASP 51 1HB ASP 51 1.827 12.220 -3.764 360 HB3 ASP 51 2HB ASP 51 2.166 13.876 -4.325 361 H LYS 52 H LYS 52 2.621 10.688 -6.753 362 HA LYS 52 HA LYS 52 4.766 10.152 -7.477 363 HB2 LYS 52 1HB LYS 52 4.692 13.019 -8.431 364 HB3 LYS 52 2HB LYS 52 5.850 11.770 -8.947 365 HG2 LYS 52 1HG LYS 52 4.006 10.463 -9.924 366 HG3 LYS 52 2HG LYS 52 2.849 11.716 -9.413 367 HD2 LYS 52 1HD LYS 52 4.052 13.368 -10.815 368 HD3 LYS 52 2HD LYS 52 5.150 12.078 -11.362 369 HE2 LYS 52 1HE LYS 52 3.281 10.862 -12.346 370 HE3 LYS 52 2HE LYS 52 2.140 12.083 -11.737 371 HZ1 LYS 52 3HZ LYS 52 4.280 12.570 -13.709 372 HZ2 LYS 52 1HZ LYS 52 2.672 12.439 -14.051 373 HZ3 LYS 52 2HZ LYS 52 3.222 13.702 -13.144 374 H ASN 53 H ASN 53 4.653 10.740 -4.813 375 HA ASN 53 HA ASN 53 7.084 12.429 -4.340 376 HB2 ASN 53 1HB ASN 53 4.894 11.736 -2.241 377 HB3 ASN 53 2HB ASN 53 6.533 12.432 -2.207 378 HD21 ASN 53 2HD2 ASN 53 3.682 13.415 -1.677 379 HD22 ASN 53 1HD2 ASN 53 3.610 14.923 -2.526 380 H GLY 54 H GLY 54 6.281 9.297 -4.828 381 HA2 GLY 54 1HA GLY 54 7.595 7.393 -4.488 382 HA3 GLY 54 2HA GLY 54 8.676 8.342 -3.440 383 H ARG 55 H ARG 55 5.243 8.439 -2.885 384 HA ARG 55 HA ARG 55 5.311 6.336 -0.815 385 HB2 ARG 55 1HB ARG 55 4.728 7.687 1.003 386 HB3 ARG 55 2HB ARG 55 6.313 8.162 0.348 387 HG2 ARG 55 1HG ARG 55 5.267 10.097 -0.761 388 HG3 ARG 55 2HG ARG 55 3.690 9.627 -0.080 389 HD2 ARG 55 1HD ARG 55 4.596 9.950 2.161 390 HD3 ARG 55 2HD ARG 55 6.128 10.496 1.439 391 HE ARG 55 HE ARG 55 4.015 12.258 0.511 392 HH11 ARG 55 1HH1 ARG 55 5.676 11.475 3.475 393 HH12 ARG 55 2HH1 ARG 55 5.419 13.108 4.058 394 HH21 ARG 55 1HH2 ARG 55 3.705 14.129 1.169 395 HH22 ARG 55 2HH2 ARG 55 4.294 14.622 2.744 396 H ILE 56 H ILE 56 3.266 5.872 0.111 397 HA ILE 56 HA ILE 56 0.956 6.974 -1.472 398 HB ILE 56 HB ILE 56 1.252 4.297 -0.031 399 HG12 ILE 56 1HG1 ILE 56 0.902 4.861 -2.962 400 HG13 ILE 56 2HG1 ILE 56 2.463 4.538 -2.171 401 HG21 ILE 56 1HG2 ILE 56 -0.992 3.811 -0.945 402 HG22 ILE 56 2HG2 ILE 56 -1.035 5.217 0.144 403 HG23 ILE 56 3HG2 ILE 56 -1.075 5.457 -1.618 404 HD11 ILE 56 3HD1 ILE 56 0.093 2.639 -2.275 405 HD12 ILE 56 1HD1 ILE 56 1.575 2.509 -3.250 406 HD13 ILE 56 2HD1 ILE 56 1.654 2.315 -1.482 407 H ASP 57 H ASP 57 -0.237 8.360 -0.533 408 HA ASP 57 HA ASP 57 -0.128 8.735 2.366 409 HB2 ASP 57 1HB ASP 57 -0.625 10.511 0.329 410 HB3 ASP 57 2HB ASP 57 -2.234 9.844 0.705 411 H PHE 58 H PHE 58 -2.209 9.042 3.588 412 HA PHE 58 HA PHE 58 -3.533 6.510 3.793 413 HB2 PHE 58 1HB PHE 58 -3.356 8.080 5.696 414 HB3 PHE 58 2HB PHE 58 -4.400 9.239 4.842 415 HD1 PHE 58 1HD PHE 58 -4.310 5.840 6.321 416 HD2 PHE 58 2HD PHE 58 -6.706 9.119 4.995 417 HE1 PHE 58 1HE PHE 58 -6.304 4.791 7.337 418 HE2 PHE 58 2HE PHE 58 -8.703 8.075 6.012 419 HZ PHE 58 HZ PHE 58 -8.501 5.908 7.182 420 H ASP 59 H ASP 59 -4.597 9.591 2.355 421 HA ASP 59 HA ASP 59 -7.185 8.639 1.553 422 HB2 ASP 59 1HB ASP 59 -5.448 10.909 0.411 423 HB3 ASP 59 2HB ASP 59 -7.075 10.378 -0.083 424 H GLU 60 H GLU 60 -4.033 8.616 -0.074 425 HA GLU 60 HA GLU 60 -5.117 7.388 -2.497 426 HB2 GLU 60 1HB GLU 60 -2.302 7.657 -1.434 427 HB3 GLU 60 2HB GLU 60 -2.734 7.010 -3.034 428 HG2 GLU 60 1HG GLU 60 -3.119 9.907 -2.077 429 HG3 GLU 60 2HG GLU 60 -2.008 9.213 -3.280 430 H PHE 61 H PHE 61 -3.878 6.251 0.563 431 HA PHE 61 HA PHE 61 -3.466 3.505 -0.191 432 HB2 PHE 61 1HB PHE 61 -2.612 4.326 1.937 433 HB3 PHE 61 2HB PHE 61 -4.249 4.769 2.471 434 HD1 PHE 61 1HD PHE 61 -1.981 1.960 1.726 435 HD2 PHE 61 2HD PHE 61 -5.712 3.187 3.408 436 HE1 PHE 61 1HE PHE 61 -2.244 -0.268 2.765 437 HE2 PHE 61 2HE PHE 61 -5.977 0.960 4.450 438 HZ PHE 61 HZ PHE 61 -4.242 -0.768 4.126 439 H LEU 62 H LEU 62 -6.331 5.219 1.054 440 HA LEU 62 HA LEU 62 -8.059 2.946 1.101 441 HB2 LEU 62 1HB LEU 62 -8.496 5.812 0.581 442 HB3 LEU 62 2HB LEU 62 -9.897 4.754 0.862 443 HG LEU 62 HG LEU 62 -7.674 5.375 2.845 444 HD11 LEU 62 1HD1 LEU 62 -9.501 6.511 4.136 445 HD12 LEU 62 2HD1 LEU 62 -9.286 7.250 2.532 446 HD13 LEU 62 3HD1 LEU 62 -10.642 6.133 2.824 447 HD21 LEU 62 3HD2 LEU 62 -8.464 3.096 3.090 448 HD22 LEU 62 1HD2 LEU 62 -9.026 4.082 4.460 449 HD23 LEU 62 2HD2 LEU 62 -10.152 3.657 3.149 450 H LYS 63 H LYS 63 -7.122 5.113 -1.521 451 HA LYS 63 HA LYS 63 -8.934 3.904 -3.456 452 HB2 LYS 63 1HB LYS 63 -6.389 5.499 -3.791 453 HB3 LYS 63 2HB LYS 63 -7.482 5.022 -5.110 454 HG2 LYS 63 1HG LYS 63 -9.268 6.380 -4.187 455 HG3 LYS 63 2HG LYS 63 -8.279 6.772 -2.761 456 HD2 LYS 63 1HD LYS 63 -6.597 7.808 -4.343 457 HD3 LYS 63 2HD LYS 63 -7.801 7.605 -5.637 458 HE2 LYS 63 1HE LYS 63 -9.364 9.039 -4.504 459 HE3 LYS 63 2HE LYS 63 -8.330 9.105 -3.058 460 HZ1 LYS 63 3HZ LYS 63 -7.642 10.199 -5.710 461 HZ2 LYS 63 1HZ LYS 63 -8.112 11.085 -4.401 462 HZ3 LYS 63 2HZ LYS 63 -6.682 10.262 -4.370 463 H MET 64 H MET 64 -5.576 3.348 -2.478 464 HA MET 64 HA MET 64 -4.951 1.543 -4.636 465 HB2 MET 64 1HB MET 64 -3.252 2.666 -3.326 466 HB3 MET 64 2HB MET 64 -3.804 1.823 -1.858 467 HG2 MET 64 1HG MET 64 -2.883 0.254 -4.252 468 HG3 MET 64 2HG MET 64 -1.687 0.971 -3.146 469 HE1 MET 64 3HE MET 64 -2.777 0.763 -0.305 470 HE2 MET 64 1HE MET 64 -2.273 -0.870 0.196 471 HE3 MET 64 2HE MET 64 -1.174 0.144 -0.771 472 H MET 65 H MET 65 -6.275 1.046 -1.388 473 HA MET 65 HA MET 65 -6.063 -1.837 -1.470 474 HB2 MET 65 1HB MET 65 -7.760 0.066 0.138 475 HB3 MET 65 2HB MET 65 -7.762 -1.699 0.367 476 HG2 MET 65 1HG MET 65 -5.365 0.132 0.692 477 HG3 MET 65 2HG MET 65 -6.338 -0.544 2.020 478 HE1 MET 65 3HE MET 65 -6.935 -3.478 1.237 479 HE2 MET 65 1HE MET 65 -5.523 -4.338 1.897 480 HE3 MET 65 2HE MET 65 -6.267 -3.009 2.820 481 H GLU 66 H GLU 66 -8.349 0.433 -2.770 482 HA GLU 66 HA GLU 66 -10.325 -1.680 -3.367 483 HB2 GLU 66 1HB GLU 66 -10.082 1.215 -4.198 484 HB3 GLU 66 2HB GLU 66 -11.410 0.131 -4.677 485 HG2 GLU 66 1HG GLU 66 -12.051 -0.098 -2.227 486 HG3 GLU 66 2HG GLU 66 -10.646 0.944 -1.903 487 H ASN 67 H ASN 67 -7.646 -0.054 -4.939 488 HA ASN 67 HA ASN 67 -8.338 -1.199 -7.573 489 HB2 ASN 67 1HB ASN 67 -5.813 0.468 -6.841 490 HB3 ASN 67 2HB ASN 67 -6.418 -0.396 -8.275 491 HD21 ASN 67 2HD2 ASN 67 -5.883 2.495 -7.610 492 HD22 ASN 67 1HD2 ASN 67 -7.335 3.318 -8.073 493 H VAL 68 H VAL 68 -6.542 -2.105 -4.784 494 HA VAL 68 HA VAL 68 -5.156 -4.272 -6.362 495 HB VAL 68 HB VAL 68 -4.324 -2.959 -3.740 496 HG11 VAL 68 1HG1 VAL 68 -2.302 -4.362 -3.970 497 HG12 VAL 68 2HG1 VAL 68 -3.766 -5.365 -3.850 498 HG13 VAL 68 3HG1 VAL 68 -2.987 -5.113 -5.430 499 HG21 VAL 68 3HG2 VAL 68 -3.941 -1.489 -5.628 500 HG22 VAL 68 1HG2 VAL 68 -2.403 -2.122 -4.997 501 HG23 VAL 68 2HG2 VAL 68 -3.093 -2.792 -6.495 502 H GLN 69 H GLN 69 -5.972 -6.153 -6.183 503 HA GLN 69 HA GLN 69 -7.906 -6.876 -4.193 504 HB2 GLN 69 1HB GLN 69 -7.644 -7.948 -6.413 505 HB3 GLN 69 2HB GLN 69 -6.110 -8.656 -5.854 506 HG2 GLN 69 1HG GLN 69 -7.567 -10.030 -4.054 507 HG3 GLN 69 2HG GLN 69 -8.785 -8.974 -4.805 508 HE21 GLN 69 2HE2 GLN 69 -9.169 -11.702 -4.671 509 HE22 GLN 69 1HE2 GLN 69 -9.058 -12.386 -6.258 Start of MODEL 2 1 H1 SER 1 1H SER 1 -16.388 0.775 3.106 2 H2 SER 1 2H SER 1 -16.306 -0.168 4.270 3 H3 SER 1 3H SER 1 -15.778 1.230 4.399 4 HA SER 1 HA SER 1 -14.215 -1.052 3.505 5 HB2 SER 1 1HB SER 1 -14.498 1.075 1.468 6 HB3 SER 1 2HB SER 1 -13.345 -0.280 1.479 7 HG SER 1 HG SER 1 -15.224 -0.723 0.247 8 H GLU 2 H GLU 2 -14.416 2.513 3.719 9 HA GLU 2 HA GLU 2 -11.573 2.941 3.931 10 HB2 GLU 2 1HB GLU 2 -13.960 4.600 4.750 11 HB3 GLU 2 2HB GLU 2 -12.273 5.157 4.864 12 HG2 GLU 2 1HG GLU 2 -12.055 4.974 2.360 13 HG3 GLU 2 2HG GLU 2 -13.689 4.275 2.384 14 H GLU 3 H GLU 3 -14.091 2.277 6.299 15 HA GLU 3 HA GLU 3 -12.550 2.918 8.637 16 HB2 GLU 3 1HB GLU 3 -14.982 2.582 8.620 17 HB3 GLU 3 2HB GLU 3 -14.729 0.859 8.251 18 HG2 GLU 3 1HG GLU 3 -13.567 0.594 10.498 19 HG3 GLU 3 2HG GLU 3 -13.842 2.340 10.692 20 H GLU 4 H GLU 4 -12.999 -0.157 6.887 21 HA GLU 4 HA GLU 4 -11.145 -1.601 8.598 22 HB2 GLU 4 1HB GLU 4 -12.249 -2.139 5.839 23 HB3 GLU 4 2HB GLU 4 -11.187 -3.257 6.727 24 HG2 GLU 4 1HG GLU 4 -12.956 -3.471 8.524 25 HG3 GLU 4 2HG GLU 4 -13.865 -2.255 7.598 26 H LEU 5 H LEU 5 -10.844 0.236 5.607 27 HA LEU 5 HA LEU 5 -8.141 -0.567 5.018 28 HB2 LEU 5 1HB LEU 5 -10.064 1.412 4.278 29 HB3 LEU 5 2HB LEU 5 -8.421 2.037 4.011 30 HG LEU 5 HG LEU 5 -7.946 0.463 2.357 31 HD11 LEU 5 1HD1 LEU 5 -9.294 -1.623 2.002 32 HD12 LEU 5 2HD1 LEU 5 -8.654 -1.541 3.661 33 HD13 LEU 5 3HD1 LEU 5 -10.360 -1.143 3.343 34 HD21 LEU 5 3HD2 LEU 5 -9.587 2.058 1.556 35 HD22 LEU 5 1HD2 LEU 5 -9.843 0.480 0.775 36 HD23 LEU 5 2HD2 LEU 5 -10.917 1.004 2.095 37 H SER 6 H SER 6 -9.512 1.942 7.087 38 HA SER 6 HA SER 6 -7.094 3.350 7.779 39 HB2 SER 6 1HB SER 6 -9.229 4.204 8.213 40 HB3 SER 6 2HB SER 6 -9.540 2.898 9.381 41 HG SER 6 HG SER 6 -8.776 4.815 10.373 42 H GLU 7 H GLU 7 -8.716 0.484 9.203 43 HA GLU 7 HA GLU 7 -6.771 0.080 11.295 44 HB2 GLU 7 1HB GLU 7 -8.716 -1.779 9.924 45 HB3 GLU 7 2HB GLU 7 -7.705 -2.240 11.315 46 HG2 GLU 7 1HG GLU 7 -8.879 -0.511 12.725 47 HG3 GLU 7 2HG GLU 7 -9.717 -0.031 11.232 48 H CYS 8 H CYS 8 -7.097 -1.282 8.023 49 HA CYS 8 HA CYS 8 -4.828 -3.067 8.108 50 HB2 CYS 8 1HB CYS 8 -6.364 -1.504 5.995 51 HB3 CYS 8 2HB CYS 8 -5.120 -2.715 5.602 52 HG CYS 8 HG CYS 8 -7.439 -3.634 5.127 53 H PHE 9 H PHE 9 -5.203 0.385 7.253 54 HA PHE 9 HA PHE 9 -2.521 0.815 6.338 55 HB2 PHE 9 1HB PHE 9 -4.371 2.429 5.950 56 HB3 PHE 9 2HB PHE 9 -4.421 2.778 7.693 57 HD1 PHE 9 1HD PHE 9 -2.388 3.066 4.627 58 HD2 PHE 9 2HD PHE 9 -2.909 4.259 8.696 59 HE1 PHE 9 1HE PHE 9 -0.700 4.846 4.319 60 HE2 PHE 9 2HE PHE 9 -1.224 6.042 8.391 61 HZ PHE 9 HZ PHE 9 -0.117 6.333 6.201 62 H ARG 10 H ARG 10 -3.973 1.178 9.572 63 HA ARG 10 HA ARG 10 -1.569 2.065 10.863 64 HB2 ARG 10 1HB ARG 10 -3.995 0.699 11.924 65 HB3 ARG 10 2HB ARG 10 -2.621 1.221 12.927 66 HG2 ARG 10 1HG ARG 10 -2.980 3.540 12.252 67 HG3 ARG 10 2HG ARG 10 -4.315 3.040 11.186 68 HD2 ARG 10 1HD ARG 10 -5.580 2.310 13.106 69 HD3 ARG 10 2HD ARG 10 -4.241 2.787 14.177 70 HE ARG 10 HE ARG 10 -5.108 5.169 12.798 71 HH11 ARG 10 1HH1 ARG 10 -6.443 2.879 15.064 72 HH12 ARG 10 2HH1 ARG 10 -7.455 4.137 15.747 73 HH21 ARG 10 1HH2 ARG 10 -6.266 6.618 13.564 74 HH22 ARG 10 2HH2 ARG 10 -7.356 6.269 14.892 75 H ILE 11 H ILE 11 -2.813 -1.155 10.123 76 HA ILE 11 HA ILE 11 -0.705 -2.554 11.583 77 HB ILE 11 HB ILE 11 -2.591 -3.417 9.345 78 HG12 ILE 11 1HG1 ILE 11 -2.573 -4.190 12.246 79 HG13 ILE 11 2HG1 ILE 11 -3.532 -2.850 11.577 80 HG21 ILE 11 1HG2 ILE 11 -1.854 -5.720 9.857 81 HG22 ILE 11 2HG2 ILE 11 -0.496 -4.728 9.276 82 HG23 ILE 11 3HG2 ILE 11 -0.661 -5.083 11.012 83 HD11 ILE 11 3HD1 ILE 11 -3.756 -5.771 10.773 84 HD12 ILE 11 1HD1 ILE 11 -4.896 -4.888 11.812 85 HD13 ILE 11 2HD1 ILE 11 -4.714 -4.430 10.102 86 H PHE 12 H PHE 12 -1.110 -1.529 8.211 87 HA PHE 12 HA PHE 12 1.218 -3.062 7.354 88 HB2 PHE 12 1HB PHE 12 -0.428 -0.897 5.975 89 HB3 PHE 12 2HB PHE 12 0.866 -1.835 5.195 90 HD1 PHE 12 1HD PHE 12 -0.194 -4.297 7.085 91 HD2 PHE 12 2HD PHE 12 -1.786 -1.746 4.050 92 HE1 PHE 12 1HE PHE 12 -1.828 -6.048 6.472 93 HE2 PHE 12 2HE PHE 12 -3.423 -3.494 3.436 94 HZ PHE 12 HZ PHE 12 -3.442 -5.648 4.647 95 H ASP 13 H ASP 13 0.644 0.236 8.410 96 HA ASP 13 HA ASP 13 3.316 1.161 7.671 97 HB2 ASP 13 1HB ASP 13 1.236 2.695 8.072 98 HB3 ASP 13 2HB ASP 13 1.487 2.166 9.753 99 H LYS 14 H LYS 14 4.799 -0.288 8.452 100 HA LYS 14 HA LYS 14 4.577 -1.381 11.131 101 HB2 LYS 14 1HB LYS 14 6.802 -1.379 9.088 102 HB3 LYS 14 2HB LYS 14 6.875 -2.235 10.647 103 HG2 LYS 14 1HG LYS 14 4.987 -3.637 10.004 104 HG3 LYS 14 2HG LYS 14 4.808 -2.737 8.479 105 HD2 LYS 14 1HD LYS 14 7.039 -3.477 7.767 106 HD3 LYS 14 2HD LYS 14 7.243 -4.356 9.302 107 HE2 LYS 14 1HE LYS 14 5.378 -5.815 8.760 108 HE3 LYS 14 2HE LYS 14 5.054 -4.894 7.274 109 HZ1 LYS 14 3HZ LYS 14 7.504 -6.437 7.833 110 HZ2 LYS 14 1HZ LYS 14 6.287 -6.904 6.823 111 HZ3 LYS 14 2HZ LYS 14 7.205 -5.582 6.455 112 H ASP 15 H ASP 15 6.193 1.390 9.742 113 HA ASP 15 HA ASP 15 7.874 1.710 12.175 114 HB2 ASP 15 1HB ASP 15 7.858 3.334 9.559 115 HB3 ASP 15 2HB ASP 15 8.835 3.510 11.039 116 H GLY 16 H GLY 16 5.005 2.980 10.690 117 HA2 GLY 16 1HA GLY 16 3.424 4.399 11.694 118 HA3 GLY 16 2HA GLY 16 4.567 4.721 13.018 119 H ASN 17 H ASN 17 5.109 5.033 9.512 120 HA ASN 17 HA ASN 17 6.295 7.688 9.973 121 HB2 ASN 17 1HB ASN 17 6.121 6.128 7.286 122 HB3 ASN 17 2HB ASN 17 6.687 7.734 7.805 123 HD21 ASN 17 2HD2 ASN 17 8.036 5.305 6.669 124 HD22 ASN 17 1HD2 ASN 17 9.358 4.998 7.747 125 H GLY 18 H GLY 18 3.237 6.435 9.042 126 HA2 GLY 18 1HA GLY 18 1.290 7.808 8.908 127 HA3 GLY 18 2HA GLY 18 2.316 9.206 8.508 128 H PHE 19 H PHE 19 3.320 6.479 6.809 129 HA PHE 19 HA PHE 19 1.389 6.607 4.613 130 HB2 PHE 19 1HB PHE 19 3.002 7.418 2.920 131 HB3 PHE 19 2HB PHE 19 2.703 8.662 4.155 132 HD1 PHE 19 1HD PHE 19 5.121 6.234 2.836 133 HD2 PHE 19 2HD PHE 19 4.417 9.395 5.623 134 HE1 PHE 19 1HE PHE 19 7.554 6.435 3.220 135 HE2 PHE 19 2HE PHE 19 6.850 9.601 6.008 136 HZ PHE 19 HZ PHE 19 8.419 8.119 4.807 137 H ILE 20 H ILE 20 2.053 5.249 2.766 138 HA ILE 20 HA ILE 20 3.590 2.879 3.772 139 HB ILE 20 HB ILE 20 1.712 3.169 1.381 140 HG12 ILE 20 1HG1 ILE 20 0.497 3.352 3.419 141 HG13 ILE 20 2HG1 ILE 20 0.176 1.788 2.634 142 HG21 ILE 20 1HG2 ILE 20 1.883 0.706 1.260 143 HG22 ILE 20 2HG2 ILE 20 3.475 1.469 1.044 144 HG23 ILE 20 3HG2 ILE 20 3.051 0.721 2.603 145 HD11 ILE 20 3HD1 ILE 20 2.026 2.245 5.001 146 HD12 ILE 20 1HD1 ILE 20 0.400 1.529 5.074 147 HD13 ILE 20 2HD1 ILE 20 1.707 0.681 4.215 148 H ASP 21 H ASP 21 5.564 2.608 3.267 149 HA ASP 21 HA ASP 21 6.760 4.108 1.038 150 HB2 ASP 21 1HB ASP 21 7.838 3.317 3.435 151 HB3 ASP 21 2HB ASP 21 8.085 1.901 2.383 152 H ARG 22 H ARG 22 8.319 2.917 -0.412 153 HA ARG 22 HA ARG 22 6.787 1.191 -2.116 154 HB2 ARG 22 1HB ARG 22 8.566 2.648 -2.883 155 HB3 ARG 22 2HB ARG 22 9.747 1.575 -2.096 156 HG2 ARG 22 1HG ARG 22 8.987 -0.284 -3.541 157 HG3 ARG 22 2HG ARG 22 7.860 0.830 -4.353 158 HD2 ARG 22 1HD ARG 22 9.735 0.560 -5.735 159 HD3 ARG 22 2HD ARG 22 9.821 2.187 -5.020 160 HE ARG 22 HE ARG 22 11.907 1.465 -3.913 161 HH11 ARG 22 1HH1 ARG 22 10.275 -1.301 -5.271 162 HH12 ARG 22 2HH1 ARG 22 11.707 -2.279 -5.014 163 HH21 ARG 22 1HH2 ARG 22 13.551 0.356 -3.605 164 HH22 ARG 22 2HH2 ARG 22 13.575 -1.336 -4.063 165 H GLU 23 H GLU 23 9.435 0.481 0.164 166 HA GLU 23 HA GLU 23 9.367 -2.372 -0.339 167 HB2 GLU 23 1HB GLU 23 10.429 -0.706 1.945 168 HB3 GLU 23 2HB GLU 23 10.611 -2.473 1.833 169 HG2 GLU 23 1HG GLU 23 11.965 -2.179 -0.280 170 HG3 GLU 23 2HG GLU 23 11.597 -0.445 -0.131 171 H GLU 24 H GLU 24 7.743 -0.241 1.964 172 HA GLU 24 HA GLU 24 6.551 -2.358 3.526 173 HB2 GLU 24 1HB GLU 24 5.774 0.512 3.009 174 HB3 GLU 24 2HB GLU 24 4.891 -0.568 4.117 175 HG2 GLU 24 1HG GLU 24 6.947 -0.762 5.556 176 HG3 GLU 24 2HG GLU 24 7.781 0.174 4.295 177 H PHE 25 H PHE 25 5.540 -0.634 0.601 178 HA PHE 25 HA PHE 25 2.954 -1.890 0.398 179 HB2 PHE 25 1HB PHE 25 3.523 0.121 -0.908 180 HB3 PHE 25 2HB PHE 25 4.786 -0.782 -1.774 181 HD1 PHE 25 1HD PHE 25 1.124 -0.867 -1.072 182 HD2 PHE 25 2HD PHE 25 4.305 -1.738 -3.786 183 HE1 PHE 25 1HE PHE 25 -0.526 -1.524 -2.792 184 HE2 PHE 25 2HE PHE 25 2.659 -2.393 -5.510 185 HZ PHE 25 HZ PHE 25 0.242 -2.287 -5.011 186 H GLY 26 H GLY 26 6.161 -2.787 -0.855 187 HA2 GLY 26 1HA GLY 26 5.433 -5.146 -2.215 188 HA3 GLY 26 2HA GLY 26 6.984 -4.881 -1.385 189 H ASP 27 H ASP 27 6.053 -4.594 1.252 190 HA ASP 27 HA ASP 27 5.645 -7.334 2.065 191 HB2 ASP 27 1HB ASP 27 5.377 -4.703 3.642 192 HB3 ASP 27 2HB ASP 27 5.132 -6.378 4.197 193 H ILE 28 H ILE 28 3.456 -4.551 1.763 194 HA ILE 28 HA ILE 28 1.128 -5.765 2.874 195 HB ILE 28 HB ILE 28 1.455 -3.723 0.633 196 HG12 ILE 28 1HG1 ILE 28 0.570 -3.394 3.487 197 HG13 ILE 28 2HG1 ILE 28 2.220 -3.110 2.888 198 HG21 ILE 28 1HG2 ILE 28 -0.954 -3.254 0.929 199 HG22 ILE 28 2HG2 ILE 28 -0.690 -4.924 0.377 200 HG23 ILE 28 3HG2 ILE 28 -1.075 -4.602 2.084 201 HD11 ILE 28 3HD1 ILE 28 -0.275 -1.625 1.994 202 HD12 ILE 28 1HD1 ILE 28 0.974 -0.996 3.093 203 HD13 ILE 28 2HD1 ILE 28 1.376 -1.342 1.395 204 H ILE 29 H ILE 29 2.444 -5.998 -0.402 205 HA ILE 29 HA ILE 29 0.302 -7.549 -1.511 206 HB ILE 29 HB ILE 29 3.296 -7.602 -2.109 207 HG12 ILE 29 1HG1 ILE 29 2.398 -5.447 -2.477 208 HG13 ILE 29 2HG1 ILE 29 2.701 -6.244 -4.038 209 HG21 ILE 29 1HG2 ILE 29 2.638 -8.656 -4.246 210 HG22 ILE 29 2HG2 ILE 29 2.170 -9.670 -2.861 211 HG23 ILE 29 3HG2 ILE 29 0.943 -8.696 -3.705 212 HD11 ILE 29 3HD1 ILE 29 -0.005 -5.949 -2.689 213 HD12 ILE 29 1HD1 ILE 29 0.576 -4.999 -4.075 214 HD13 ILE 29 2HD1 ILE 29 0.298 -6.747 -4.250 215 H ARG 30 H ARG 30 3.098 -8.524 0.413 216 HA ARG 30 HA ARG 30 2.389 -11.362 0.205 217 HB2 ARG 30 1HB ARG 30 4.348 -9.938 1.947 218 HB3 ARG 30 2HB ARG 30 4.076 -11.696 1.917 219 HG2 ARG 30 1HG ARG 30 4.717 -11.723 -0.479 220 HG3 ARG 30 2HG ARG 30 5.066 -9.980 -0.380 221 HD2 ARG 30 1HD ARG 30 6.435 -12.114 1.224 222 HD3 ARG 30 2HD ARG 30 7.051 -11.400 -0.285 223 HE ARG 30 HE ARG 30 6.756 -9.227 1.569 224 HH11 ARG 30 1HH1 ARG 30 8.593 -12.188 1.414 225 HH12 ARG 30 2HH1 ARG 30 9.877 -11.448 2.349 226 HH21 ARG 30 1HH2 ARG 30 8.215 -8.368 2.648 227 HH22 ARG 30 2HH2 ARG 30 9.662 -9.270 3.054 228 H LEU 31 H LEU 31 1.564 -8.691 2.268 229 HA LEU 31 HA LEU 31 0.548 -10.376 4.435 230 HB2 LEU 31 1HB LEU 31 0.232 -7.561 3.634 231 HB3 LEU 31 2HB LEU 31 -0.509 -8.113 5.154 232 HG LEU 31 HG LEU 31 2.465 -8.084 4.504 233 HD11 LEU 31 1HD1 LEU 31 2.576 -6.336 6.300 234 HD12 LEU 31 2HD1 LEU 31 1.526 -5.820 4.959 235 HD13 LEU 31 3HD1 LEU 31 0.807 -6.422 6.472 236 HD21 LEU 31 3HD2 LEU 31 1.879 -9.968 5.913 237 HD22 LEU 31 1HD2 LEU 31 2.778 -8.759 6.860 238 HD23 LEU 31 2HD2 LEU 31 1.011 -8.896 7.038 239 H THR 32 H THR 32 -0.702 -9.046 1.462 240 HA THR 32 HA THR 32 -3.462 -9.882 2.185 241 HB THR 32 HB THR 32 -4.082 -8.959 -0.022 242 HG1 THR 32 1HG THR 32 -2.406 -7.888 -1.230 243 HG21 THR 32 1HG2 THR 32 -3.547 -6.590 0.430 244 HG22 THR 32 2HG2 THR 32 -4.003 -7.440 1.926 245 HG23 THR 32 3HG2 THR 32 -2.292 -7.094 1.586 246 H GLY 33 H GLY 33 -0.668 -11.126 0.654 247 HA2 GLY 33 1HA GLY 33 -0.346 -13.364 0.070 248 HA3 GLY 33 2HA GLY 33 -2.087 -13.656 0.282 249 H GLU 34 H GLU 34 -0.644 -11.137 -1.744 250 HA GLU 34 HA GLU 34 -1.910 -12.420 -4.129 251 HB2 GLU 34 1HB GLU 34 -0.877 -9.621 -3.643 252 HB3 GLU 34 2HB GLU 34 -1.546 -10.216 -5.182 253 HG2 GLU 34 1HG GLU 34 -3.112 -9.925 -2.547 254 HG3 GLU 34 2HG GLU 34 -3.137 -8.914 -4.010 255 H GLN 35 H GLN 35 -0.843 -12.696 -6.057 256 HA GLN 35 HA GLN 35 2.102 -13.046 -5.712 257 HB2 GLN 35 1HB GLN 35 0.172 -14.144 -7.768 258 HB3 GLN 35 2HB GLN 35 1.921 -14.471 -7.709 259 HG2 GLN 35 1HG GLN 35 -0.122 -15.550 -5.575 260 HG3 GLN 35 2HG GLN 35 0.759 -16.198 -6.979 261 HE21 GLN 35 2HE2 GLN 35 0.798 -15.690 -3.638 262 HE22 GLN 35 1HE2 GLN 35 2.473 -16.017 -3.343 263 H LEU 36 H LEU 36 2.950 -11.081 -6.092 264 HA LEU 36 HA LEU 36 2.466 -9.975 -8.838 265 HB2 LEU 36 1HB LEU 36 2.793 -8.866 -6.194 266 HB3 LEU 36 2HB LEU 36 3.580 -7.871 -7.440 267 HG LEU 36 HG LEU 36 1.296 -7.948 -8.652 268 HD11 LEU 36 1HD1 LEU 36 -0.665 -8.206 -7.109 269 HD12 LEU 36 2HD1 LEU 36 0.281 -9.708 -7.209 270 HD13 LEU 36 3HD1 LEU 36 0.449 -8.644 -5.792 271 HD21 LEU 36 3HD2 LEU 36 2.226 -5.933 -7.673 272 HD22 LEU 36 1HD2 LEU 36 0.472 -6.000 -7.375 273 HD23 LEU 36 2HD2 LEU 36 1.614 -6.397 -6.067 274 H THR 37 H THR 37 4.178 -9.240 -10.051 275 HA THR 37 HA THR 37 6.831 -10.329 -9.329 276 HB THR 37 HB THR 37 7.542 -9.579 -11.520 277 HG1 THR 37 1HG THR 37 5.945 -8.413 -12.835 278 HG21 THR 37 1HG2 THR 37 5.925 -10.751 -12.973 279 HG22 THR 37 2HG2 THR 37 6.198 -11.652 -11.462 280 HG23 THR 37 3HG2 THR 37 4.713 -10.695 -11.672 281 H ASP 38 H ASP 38 8.756 -8.906 -9.725 282 HA ASP 38 HA ASP 38 8.767 -6.723 -7.876 283 HB2 ASP 38 1HB ASP 38 10.742 -7.427 -10.130 284 HB3 ASP 38 2HB ASP 38 10.812 -6.097 -8.948 285 H GLU 39 H GLU 39 8.248 -6.837 -11.366 286 HA GLU 39 HA GLU 39 8.220 -3.938 -11.672 287 HB2 GLU 39 1HB GLU 39 7.173 -6.205 -13.370 288 HB3 GLU 39 2HB GLU 39 7.102 -4.489 -13.837 289 HG2 GLU 39 1HG GLU 39 9.630 -4.402 -13.814 290 HG3 GLU 39 2HG GLU 39 9.559 -6.081 -13.233 291 H ASP 40 H ASP 40 5.755 -6.432 -11.146 292 HA ASP 40 HA ASP 40 3.468 -4.750 -11.429 293 HB2 ASP 40 1HB ASP 40 3.863 -7.230 -9.648 294 HB3 ASP 40 2HB ASP 40 2.400 -6.258 -9.940 295 H VAL 41 H VAL 41 5.485 -5.446 -8.579 296 HA VAL 41 HA VAL 41 3.819 -3.950 -6.732 297 HB VAL 41 HB VAL 41 6.752 -4.764 -6.614 298 HG11 VAL 41 1HG1 VAL 41 6.593 -4.236 -4.204 299 HG12 VAL 41 2HG1 VAL 41 6.312 -2.787 -5.197 300 HG13 VAL 41 3HG1 VAL 41 4.937 -3.632 -4.445 301 HG21 VAL 41 3HG2 VAL 41 5.230 -6.649 -6.657 302 HG22 VAL 41 1HG2 VAL 41 5.968 -6.468 -5.048 303 HG23 VAL 41 2HG2 VAL 41 4.289 -5.943 -5.320 304 H ASP 42 H ASP 42 6.785 -3.080 -8.499 305 HA ASP 42 HA ASP 42 6.884 -0.437 -7.303 306 HB2 ASP 42 1HB ASP 42 8.306 -1.590 -9.778 307 HB3 ASP 42 2HB ASP 42 8.403 0.045 -9.077 308 H GLU 43 H GLU 43 5.554 -1.747 -10.307 309 HA GLU 43 HA GLU 43 4.969 0.810 -11.503 310 HB2 GLU 43 1HB GLU 43 5.078 -1.301 -12.747 311 HB3 GLU 43 2HB GLU 43 3.639 -1.878 -11.875 312 HG2 GLU 43 1HG GLU 43 2.287 -0.016 -12.950 313 HG3 GLU 43 2HG GLU 43 3.823 0.486 -13.693 314 H ILE 44 H ILE 44 2.937 -1.455 -9.636 315 HA ILE 44 HA ILE 44 0.616 0.279 -9.652 316 HB ILE 44 HB ILE 44 1.458 -2.010 -7.820 317 HG12 ILE 44 1HG1 ILE 44 -0.694 -1.903 -9.912 318 HG13 ILE 44 2HG1 ILE 44 0.961 -2.483 -10.207 319 HG21 ILE 44 1HG2 ILE 44 -0.868 -1.967 -6.983 320 HG22 ILE 44 2HG2 ILE 44 -0.027 -0.443 -6.615 321 HG23 ILE 44 3HG2 ILE 44 -1.192 -0.515 -7.957 322 HD11 ILE 44 3HD1 ILE 44 -1.010 -3.664 -8.218 323 HD12 ILE 44 1HD1 ILE 44 -0.580 -4.361 -9.797 324 HD13 ILE 44 2HD1 ILE 44 0.646 -4.244 -8.512 325 H PHE 45 H PHE 45 3.298 -0.115 -7.377 326 HA PHE 45 HA PHE 45 2.401 1.702 -5.394 327 HB2 PHE 45 1HB PHE 45 4.413 0.378 -5.039 328 HB3 PHE 45 2HB PHE 45 5.214 1.147 -6.428 329 HD1 PHE 45 1HD PHE 45 3.966 1.684 -2.999 330 HD2 PHE 45 2HD PHE 45 6.301 3.216 -6.232 331 HE1 PHE 45 1HE PHE 45 4.916 3.403 -1.496 332 HE2 PHE 45 2HE PHE 45 7.255 4.934 -4.733 333 HZ PHE 45 HZ PHE 45 6.561 5.028 -2.364 334 H GLY 46 H GLY 46 4.275 2.387 -8.356 335 HA2 GLY 46 1HA GLY 46 4.421 5.207 -7.910 336 HA3 GLY 46 2HA GLY 46 4.635 4.379 -9.470 337 H ASP 47 H ASP 47 2.051 3.136 -9.544 338 HA ASP 47 HA ASP 47 0.479 5.300 -10.653 339 HB2 ASP 47 1HB ASP 47 -0.252 2.374 -10.038 340 HB3 ASP 47 2HB ASP 47 -1.273 3.666 -10.714 341 H SER 48 H SER 48 0.458 3.594 -7.564 342 HA SER 48 HA SER 48 -2.010 4.778 -6.535 343 HB2 SER 48 1HB SER 48 0.273 3.495 -5.162 344 HB3 SER 48 2HB SER 48 -1.254 4.027 -4.424 345 HG SER 48 HG SER 48 -0.980 2.145 -6.529 346 H ASP 49 H ASP 49 1.445 5.644 -6.519 347 HA ASP 49 HA ASP 49 1.071 7.938 -4.742 348 HB2 ASP 49 1HB ASP 49 3.316 6.648 -5.072 349 HB3 ASP 49 2HB ASP 49 3.212 7.380 -6.692 350 H THR 50 H THR 50 -0.715 8.959 -5.753 351 HA THR 50 HA THR 50 -0.426 9.975 -8.485 352 HB THR 50 HB THR 50 -2.568 11.086 -8.085 353 HG1 THR 50 1HG THR 50 -1.885 10.557 -5.414 354 HG21 THR 50 1HG2 THR 50 -3.951 9.119 -7.521 355 HG22 THR 50 2HG2 THR 50 -2.612 8.670 -8.605 356 HG23 THR 50 3HG2 THR 50 -2.515 8.295 -6.869 357 H ASP 51 H ASP 51 0.289 11.124 -5.282 358 HA ASP 51 HA ASP 51 0.621 13.913 -6.169 359 HB2 ASP 51 1HB ASP 51 1.345 12.517 -3.521 360 HB3 ASP 51 2HB ASP 51 1.648 14.194 -4.039 361 H LYS 52 H LYS 52 2.398 11.076 -6.476 362 HA LYS 52 HA LYS 52 4.604 10.660 -7.086 363 HB2 LYS 52 1HB LYS 52 4.427 13.529 -8.018 364 HB3 LYS 52 2HB LYS 52 5.679 12.351 -8.480 365 HG2 LYS 52 1HG LYS 52 3.968 10.959 -9.572 366 HG3 LYS 52 2HG LYS 52 2.715 12.133 -9.107 367 HD2 LYS 52 1HD LYS 52 3.887 13.874 -10.424 368 HD3 LYS 52 2HD LYS 52 5.088 12.661 -10.927 369 HE2 LYS 52 1HE LYS 52 3.356 11.354 -12.027 370 HE3 LYS 52 2HE LYS 52 2.108 12.486 -11.460 371 HZ1 LYS 52 3HZ LYS 52 4.310 13.147 -13.309 372 HZ2 LYS 52 1HZ LYS 52 2.733 12.919 -13.738 373 HZ3 LYS 52 2HZ LYS 52 3.153 14.197 -12.783 374 H ASN 53 H ASN 53 4.331 11.192 -4.431 375 HA ASN 53 HA ASN 53 6.521 13.111 -3.763 376 HB2 ASN 53 1HB ASN 53 4.484 11.828 -1.789 377 HB3 ASN 53 2HB ASN 53 5.981 12.780 -1.649 378 HD21 ASN 53 2HD2 ASN 53 3.024 13.219 -1.044 379 HD22 ASN 53 1HD2 ASN 53 2.691 14.774 -1.731 380 H GLY 54 H GLY 54 6.271 9.960 -4.598 381 HA2 GLY 54 1HA GLY 54 7.911 8.291 -4.432 382 HA3 GLY 54 2HA GLY 54 8.766 9.268 -3.215 383 H ARG 55 H ARG 55 5.335 8.397 -3.100 384 HA ARG 55 HA ARG 55 5.543 6.330 -1.117 385 HB2 ARG 55 1HB ARG 55 5.027 7.453 0.869 386 HB3 ARG 55 2HB ARG 55 6.582 8.015 0.214 387 HG2 ARG 55 1HG ARG 55 5.499 10.062 -0.606 388 HG3 ARG 55 2HG ARG 55 3.940 9.499 0.042 389 HD2 ARG 55 1HD ARG 55 4.745 9.659 2.267 390 HD3 ARG 55 2HD ARG 55 6.387 10.033 1.693 391 HE ARG 55 HE ARG 55 5.619 12.358 1.361 392 HH11 ARG 55 1HH1 ARG 55 2.885 10.284 1.984 393 HH12 ARG 55 2HH1 ARG 55 1.866 11.689 2.224 394 HH21 ARG 55 1HH2 ARG 55 4.462 13.977 1.624 395 HH22 ARG 55 2HH2 ARG 55 2.764 13.797 2.018 396 H ILE 56 H ILE 56 3.558 5.668 -0.263 397 HA ILE 56 HA ILE 56 1.184 6.809 -1.699 398 HB ILE 56 HB ILE 56 1.565 4.175 -0.202 399 HG12 ILE 56 1HG1 ILE 56 1.141 4.682 -3.134 400 HG13 ILE 56 2HG1 ILE 56 2.714 4.364 -2.367 401 HG21 ILE 56 1HG2 ILE 56 -0.695 3.626 -1.040 402 HG22 ILE 56 2HG2 ILE 56 -0.734 5.056 0.018 403 HG23 ILE 56 3HG2 ILE 56 -0.828 5.253 -1.748 404 HD11 ILE 56 3HD1 ILE 56 0.337 2.472 -2.401 405 HD12 ILE 56 1HD1 ILE 56 1.800 2.323 -3.402 406 HD13 ILE 56 2HD1 ILE 56 1.909 2.153 -1.633 407 H ASP 57 H ASP 57 0.048 8.245 -0.764 408 HA ASP 57 HA ASP 57 0.201 8.670 2.124 409 HB2 ASP 57 1HB ASP 57 -0.326 10.405 0.054 410 HB3 ASP 57 2HB ASP 57 -1.930 9.764 0.488 411 H PHE 58 H PHE 58 -1.912 9.073 3.325 412 HA PHE 58 HA PHE 58 -3.211 6.543 3.673 413 HB2 PHE 58 1HB PHE 58 -3.069 8.215 5.484 414 HB3 PHE 58 2HB PHE 58 -4.101 9.325 4.553 415 HD1 PHE 58 1HD PHE 58 -4.039 6.000 6.199 416 HD2 PHE 58 2HD PHE 58 -6.404 9.230 4.706 417 HE1 PHE 58 1HE PHE 58 -6.049 5.012 7.248 418 HE2 PHE 58 2HE PHE 58 -8.414 8.246 5.756 419 HZ PHE 58 HZ PHE 58 -8.236 6.135 7.026 420 H ASP 59 H ASP 59 -4.384 9.552 2.144 421 HA ASP 59 HA ASP 59 -6.899 8.439 1.306 422 HB2 ASP 59 1HB ASP 59 -5.284 10.807 0.182 423 HB3 ASP 59 2HB ASP 59 -6.867 10.176 -0.337 424 H GLU 60 H GLU 60 -3.727 8.623 -0.279 425 HA GLU 60 HA GLU 60 -4.604 7.352 -2.727 426 HB2 GLU 60 1HB GLU 60 -1.912 7.610 -1.387 427 HB3 GLU 60 2HB GLU 60 -2.161 6.842 -2.974 428 HG2 GLU 60 1HG GLU 60 -2.934 9.018 -3.926 429 HG3 GLU 60 2HG GLU 60 -2.917 9.643 -2.261 430 H PHE 61 H PHE 61 -3.520 6.149 0.395 431 HA PHE 61 HA PHE 61 -3.264 3.387 -0.412 432 HB2 PHE 61 1HB PHE 61 -2.275 4.176 1.689 433 HB3 PHE 61 2HB PHE 61 -3.881 4.629 2.303 434 HD1 PHE 61 1HD PHE 61 -1.646 1.835 1.467 435 HD2 PHE 61 2HD PHE 61 -5.374 3.017 3.187 436 HE1 PHE 61 1HE PHE 61 -1.900 -0.415 2.460 437 HE2 PHE 61 2HE PHE 61 -5.630 0.769 4.183 438 HZ PHE 61 HZ PHE 61 -3.892 -0.948 3.818 439 H LEU 62 H LEU 62 -5.963 5.259 0.967 440 HA LEU 62 HA LEU 62 -7.851 3.128 1.048 441 HB2 LEU 62 1HB LEU 62 -7.793 5.996 0.952 442 HB3 LEU 62 2HB LEU 62 -9.378 5.377 0.437 443 HG LEU 62 HG LEU 62 -9.742 4.309 2.553 444 HD11 LEU 62 1HD1 LEU 62 -8.025 4.393 4.381 445 HD12 LEU 62 2HD1 LEU 62 -7.403 3.542 2.948 446 HD13 LEU 62 3HD1 LEU 62 -6.907 5.220 3.273 447 HD21 LEU 62 3HD2 LEU 62 -10.270 6.674 2.486 448 HD22 LEU 62 1HD2 LEU 62 -9.697 6.226 4.110 449 HD23 LEU 62 2HD2 LEU 62 -8.614 7.088 2.990 450 H LYS 63 H LYS 63 -6.990 5.341 -1.597 451 HA LYS 63 HA LYS 63 -8.866 4.172 -3.474 452 HB2 LYS 63 1HB LYS 63 -6.336 5.779 -3.839 453 HB3 LYS 63 2HB LYS 63 -7.409 5.280 -5.168 454 HG2 LYS 63 1HG LYS 63 -9.242 6.583 -4.213 455 HG3 LYS 63 2HG LYS 63 -8.220 7.037 -2.828 456 HD2 LYS 63 1HD LYS 63 -6.639 8.138 -4.414 457 HD3 LYS 63 2HD LYS 63 -7.769 7.771 -5.740 458 HE2 LYS 63 1HE LYS 63 -9.501 9.113 -4.682 459 HE3 LYS 63 2HE LYS 63 -8.445 9.418 -3.284 460 HZ1 LYS 63 3HZ LYS 63 -7.927 10.303 -6.051 461 HZ2 LYS 63 1HZ LYS 63 -8.448 11.266 -4.817 462 HZ3 LYS 63 2HZ LYS 63 -6.947 10.587 -4.754 463 H MET 64 H MET 64 -5.523 3.486 -2.577 464 HA MET 64 HA MET 64 -4.964 1.747 -4.809 465 HB2 MET 64 1HB MET 64 -3.231 2.768 -3.446 466 HB3 MET 64 2HB MET 64 -3.801 1.861 -2.024 467 HG2 MET 64 1HG MET 64 -2.923 0.411 -4.509 468 HG3 MET 64 2HG MET 64 -1.713 1.022 -3.357 469 HE1 MET 64 3HE MET 64 -2.820 0.670 -0.538 470 HE2 MET 64 1HE MET 64 -2.367 -1.004 -0.138 471 HE3 MET 64 2HE MET 64 -1.233 0.034 -1.038 472 H MET 65 H MET 65 -6.153 1.120 -1.514 473 HA MET 65 HA MET 65 -6.085 -1.751 -1.777 474 HB2 MET 65 1HB MET 65 -7.653 0.110 0.006 475 HB3 MET 65 2HB MET 65 -7.685 -1.665 0.143 476 HG2 MET 65 1HG MET 65 -5.225 0.085 0.440 477 HG3 MET 65 2HG MET 65 -6.162 -0.609 1.784 478 HE1 MET 65 3HE MET 65 -6.871 -3.486 1.066 479 HE2 MET 65 1HE MET 65 -5.430 -4.392 1.588 480 HE3 MET 65 2HE MET 65 -6.041 -3.045 2.580 481 H GLU 66 H GLU 66 -8.461 0.684 -2.642 482 HA GLU 66 HA GLU 66 -10.538 -1.295 -3.248 483 HB2 GLU 66 1HB GLU 66 -10.198 1.633 -3.905 484 HB3 GLU 66 2HB GLU 66 -11.606 0.658 -4.393 485 HG2 GLU 66 1HG GLU 66 -12.134 0.264 -1.939 486 HG3 GLU 66 2HG GLU 66 -10.658 1.199 -1.610 487 H ASN 67 H ASN 67 -7.971 0.351 -5.005 488 HA ASN 67 HA ASN 67 -9.016 -0.600 -7.604 489 HB2 ASN 67 1HB ASN 67 -6.433 1.061 -7.093 490 HB3 ASN 67 2HB ASN 67 -7.205 0.280 -8.495 491 HD21 ASN 67 2HD2 ASN 67 -6.624 3.132 -7.700 492 HD22 ASN 67 1HD2 ASN 67 -8.133 3.953 -7.922 493 H VAL 68 H VAL 68 -6.875 -1.688 -5.152 494 HA VAL 68 HA VAL 68 -5.681 -3.698 -7.059 495 HB VAL 68 HB VAL 68 -4.554 -2.621 -4.441 496 HG11 VAL 68 1HG1 VAL 68 -2.561 -3.951 -5.048 497 HG12 VAL 68 2HG1 VAL 68 -3.992 -4.991 -4.858 498 HG13 VAL 68 3HG1 VAL 68 -3.410 -4.567 -6.486 499 HG21 VAL 68 3HG2 VAL 68 -4.413 -0.963 -6.202 500 HG22 VAL 68 1HG2 VAL 68 -2.805 -1.623 -5.824 501 HG23 VAL 68 2HG2 VAL 68 -3.663 -2.155 -7.290 502 H GLN 69 H GLN 69 -6.763 -5.474 -6.994 503 HA GLN 69 HA GLN 69 -8.175 -6.378 -4.624 504 HB2 GLN 69 1HB GLN 69 -8.841 -6.940 -6.932 505 HB3 GLN 69 2HB GLN 69 -7.339 -7.875 -7.118 506 HG2 GLN 69 1HG GLN 69 -8.290 -9.536 -5.240 507 HG3 GLN 69 2HG GLN 69 -9.494 -8.225 -5.222 508 HE21 GLN 69 2HE2 GLN 69 -10.153 -10.942 -5.540 509 HE22 GLN 69 1HE2 GLN 69 -10.788 -11.172 -7.135 Start of MODEL 3 1 H1 SER 1 1H SER 1 -16.520 0.853 3.219 2 H2 SER 1 2H SER 1 -16.563 0.056 4.489 3 H3 SER 1 3H SER 1 -15.901 1.402 4.470 4 HA SER 1 HA SER 1 -14.552 -1.111 3.914 5 HB2 SER 1 1HB SER 1 -14.569 0.768 1.630 6 HB3 SER 1 2HB SER 1 -13.556 -0.679 1.845 7 HG SER 1 HG SER 1 -15.438 -1.088 0.605 8 H GLU 2 H GLU 2 -14.402 2.456 3.697 9 HA GLU 2 HA GLU 2 -11.543 2.649 3.932 10 HB2 GLU 2 1HB GLU 2 -13.780 4.584 4.537 11 HB3 GLU 2 2HB GLU 2 -12.052 5.001 4.638 12 HG2 GLU 2 1HG GLU 2 -11.805 4.580 2.174 13 HG3 GLU 2 2HG GLU 2 -13.482 3.987 2.217 14 H GLU 3 H GLU 3 -14.107 2.353 6.303 15 HA GLU 3 HA GLU 3 -12.533 3.116 8.597 16 HB2 GLU 3 1HB GLU 3 -14.949 1.337 8.266 17 HB3 GLU 3 2HB GLU 3 -14.228 1.752 9.841 18 HG2 GLU 3 1HG GLU 3 -14.760 4.185 9.422 19 HG3 GLU 3 2HG GLU 3 -15.325 3.661 7.819 20 H GLU 4 H GLU 4 -12.975 0.067 6.872 21 HA GLU 4 HA GLU 4 -11.330 -1.428 8.788 22 HB2 GLU 4 1HB GLU 4 -12.313 -2.039 5.997 23 HB3 GLU 4 2HB GLU 4 -11.378 -3.166 7.010 24 HG2 GLU 4 1HG GLU 4 -13.276 -3.158 8.701 25 HG3 GLU 4 2HG GLU 4 -14.054 -1.979 7.620 26 H LEU 5 H LEU 5 -10.829 0.289 5.754 27 HA LEU 5 HA LEU 5 -8.122 -0.702 5.374 28 HB2 LEU 5 1HB LEU 5 -9.642 1.629 4.414 29 HB3 LEU 5 2HB LEU 5 -8.026 1.310 3.742 30 HG LEU 5 HG LEU 5 -10.495 -0.451 3.492 31 HD11 LEU 5 1HD1 LEU 5 -10.252 0.042 1.043 32 HD12 LEU 5 2HD1 LEU 5 -10.483 1.535 1.982 33 HD13 LEU 5 3HD1 LEU 5 -8.860 1.087 1.408 34 HD21 LEU 5 3HD2 LEU 5 -8.506 -1.812 3.754 35 HD22 LEU 5 1HD2 LEU 5 -9.092 -1.912 2.077 36 HD23 LEU 5 2HD2 LEU 5 -7.678 -0.902 2.468 37 H SER 6 H SER 6 -9.563 1.913 7.187 38 HA SER 6 HA SER 6 -7.228 3.449 7.858 39 HB2 SER 6 1HB SER 6 -9.670 2.855 9.415 40 HB3 SER 6 2HB SER 6 -8.385 4.000 9.863 41 HG SER 6 HG SER 6 -10.114 4.998 8.740 42 H GLU 7 H GLU 7 -8.599 0.433 9.216 43 HA GLU 7 HA GLU 7 -6.553 0.186 11.277 44 HB2 GLU 7 1HB GLU 7 -8.522 -1.771 10.085 45 HB3 GLU 7 2HB GLU 7 -7.428 -2.143 11.439 46 HG2 GLU 7 1HG GLU 7 -8.581 -0.368 12.826 47 HG3 GLU 7 2HG GLU 7 -9.526 -0.015 11.361 48 H CYS 8 H CYS 8 -7.020 -1.183 8.034 49 HA CYS 8 HA CYS 8 -4.754 -2.945 7.947 50 HB2 CYS 8 1HB CYS 8 -6.260 -1.215 5.941 51 HB3 CYS 8 2HB CYS 8 -5.095 -2.484 5.490 52 HG CYS 8 HG CYS 8 -6.359 -4.407 6.628 53 H PHE 9 H PHE 9 -5.110 0.542 7.205 54 HA PHE 9 HA PHE 9 -2.427 0.992 6.324 55 HB2 PHE 9 1HB PHE 9 -4.269 2.629 5.996 56 HB3 PHE 9 2HB PHE 9 -4.315 2.916 7.750 57 HD1 PHE 9 1HD PHE 9 -2.293 3.308 4.690 58 HD2 PHE 9 2HD PHE 9 -2.785 4.346 8.805 59 HE1 PHE 9 1HE PHE 9 -0.596 5.089 4.443 60 HE2 PHE 9 2HE PHE 9 -1.089 6.128 8.561 61 HZ PHE 9 HZ PHE 9 0.006 6.498 6.378 62 H ARG 10 H ARG 10 -3.874 1.250 9.572 63 HA ARG 10 HA ARG 10 -1.457 2.094 10.875 64 HB2 ARG 10 1HB ARG 10 -3.894 0.733 11.919 65 HB3 ARG 10 2HB ARG 10 -2.515 1.235 12.925 66 HG2 ARG 10 1HG ARG 10 -2.866 3.561 12.309 67 HG3 ARG 10 2HG ARG 10 -4.180 3.095 11.203 68 HD2 ARG 10 1HD ARG 10 -5.487 2.320 13.081 69 HD3 ARG 10 2HD ARG 10 -4.173 2.784 14.188 70 HE ARG 10 HE ARG 10 -5.021 5.182 12.823 71 HH11 ARG 10 1HH1 ARG 10 -6.382 2.861 15.041 72 HH12 ARG 10 2HH1 ARG 10 -7.408 4.107 15.724 73 HH21 ARG 10 1HH2 ARG 10 -6.196 6.618 13.589 74 HH22 ARG 10 2HH2 ARG 10 -7.304 6.249 14.897 75 H ILE 11 H ILE 11 -2.740 -1.093 10.067 76 HA ILE 11 HA ILE 11 -0.674 -2.553 11.525 77 HB ILE 11 HB ILE 11 -2.544 -3.338 9.247 78 HG12 ILE 11 1HG1 ILE 11 -2.568 -4.191 12.125 79 HG13 ILE 11 2HG1 ILE 11 -3.491 -2.808 11.491 80 HG21 ILE 11 1HG2 ILE 11 -1.847 -5.663 9.710 81 HG22 ILE 11 2HG2 ILE 11 -0.469 -4.678 9.166 82 HG23 ILE 11 3HG2 ILE 11 -0.655 -5.071 10.892 83 HD11 ILE 11 3HD1 ILE 11 -3.774 -5.697 10.593 84 HD12 ILE 11 1HD1 ILE 11 -4.902 -4.821 11.651 85 HD13 ILE 11 2HD1 ILE 11 -4.696 -4.315 9.958 86 H PHE 12 H PHE 12 -1.006 -1.443 8.173 87 HA PHE 12 HA PHE 12 1.328 -2.992 7.337 88 HB2 PHE 12 1HB PHE 12 -0.281 -0.822 5.921 89 HB3 PHE 12 2HB PHE 12 0.989 -1.813 5.168 90 HD1 PHE 12 1HD PHE 12 -0.051 -4.269 6.985 91 HD2 PHE 12 2HD PHE 12 -1.757 -1.601 4.117 92 HE1 PHE 12 1HE PHE 12 -1.735 -5.981 6.396 93 HE2 PHE 12 2HE PHE 12 -3.445 -3.309 3.529 94 HZ PHE 12 HZ PHE 12 -3.431 -5.501 4.668 95 H ASP 13 H ASP 13 0.725 0.301 8.389 96 HA ASP 13 HA ASP 13 3.446 1.191 7.762 97 HB2 ASP 13 1HB ASP 13 1.374 2.764 8.033 98 HB3 ASP 13 2HB ASP 13 1.522 2.245 9.730 99 H LYS 14 H LYS 14 4.840 -0.303 8.638 100 HA LYS 14 HA LYS 14 4.428 -1.315 11.337 101 HB2 LYS 14 1HB LYS 14 6.728 -1.534 9.393 102 HB3 LYS 14 2HB LYS 14 6.658 -2.359 10.968 103 HG2 LYS 14 1HG LYS 14 4.722 -3.643 10.262 104 HG3 LYS 14 2HG LYS 14 4.645 -2.744 8.728 105 HD2 LYS 14 1HD LYS 14 6.834 -3.637 8.077 106 HD3 LYS 14 2HD LYS 14 6.951 -4.506 9.625 107 HE2 LYS 14 1HE LYS 14 5.041 -5.876 9.064 108 HE3 LYS 14 2HE LYS 14 4.750 -4.932 7.584 109 HZ1 LYS 14 3HZ LYS 14 7.129 -6.594 8.119 110 HZ2 LYS 14 1HZ LYS 14 5.884 -6.997 7.115 111 HZ3 LYS 14 2HZ LYS 14 6.860 -5.719 6.746 112 H ASP 15 H ASP 15 6.167 1.350 9.950 113 HA ASP 15 HA ASP 15 7.828 1.659 12.399 114 HB2 ASP 15 1HB ASP 15 7.843 3.287 9.785 115 HB3 ASP 15 2HB ASP 15 8.808 3.454 11.271 116 H GLY 16 H GLY 16 4.995 2.978 10.867 117 HA2 GLY 16 1HA GLY 16 3.413 4.403 11.862 118 HA3 GLY 16 2HA GLY 16 4.541 4.707 13.203 119 H ASN 17 H ASN 17 5.217 5.013 9.729 120 HA ASN 17 HA ASN 17 6.442 7.626 10.208 121 HB2 ASN 17 1HB ASN 17 6.155 6.127 7.494 122 HB3 ASN 17 2HB ASN 17 6.771 7.713 8.020 123 HD21 ASN 17 2HD2 ASN 17 8.050 5.298 6.805 124 HD22 ASN 17 1HD2 ASN 17 9.386 4.935 7.846 125 H GLY 18 H GLY 18 3.339 6.491 9.187 126 HA2 GLY 18 1HA GLY 18 1.438 7.957 9.086 127 HA3 GLY 18 2HA GLY 18 2.524 9.312 8.695 128 H PHE 19 H PHE 19 3.339 6.462 7.037 129 HA PHE 19 HA PHE 19 1.492 6.697 4.802 130 HB2 PHE 19 1HB PHE 19 3.162 7.473 3.137 131 HB3 PHE 19 2HB PHE 19 2.843 8.722 4.362 132 HD1 PHE 19 1HD PHE 19 5.267 6.231 3.154 133 HD2 PHE 19 2HD PHE 19 4.529 9.478 5.831 134 HE1 PHE 19 1HE PHE 19 7.691 6.408 3.604 135 HE2 PHE 19 2HE PHE 19 6.953 9.661 6.282 136 HZ PHE 19 HZ PHE 19 8.534 8.123 5.168 137 H ILE 20 H ILE 20 2.176 5.352 2.940 138 HA ILE 20 HA ILE 20 3.617 2.928 3.960 139 HB ILE 20 HB ILE 20 1.789 3.294 1.540 140 HG12 ILE 20 1HG1 ILE 20 0.553 3.479 3.571 141 HG13 ILE 20 2HG1 ILE 20 0.197 1.943 2.748 142 HG21 ILE 20 1HG2 ILE 20 1.900 0.831 1.387 143 HG22 ILE 20 2HG2 ILE 20 3.514 1.555 1.205 144 HG23 ILE 20 3HG2 ILE 20 3.048 0.797 2.746 145 HD11 ILE 20 3HD1 ILE 20 2.027 2.293 5.148 146 HD12 ILE 20 1HD1 ILE 20 0.379 1.626 5.184 147 HD13 ILE 20 2HD1 ILE 20 1.672 0.756 4.325 148 H ASP 21 H ASP 21 5.577 2.558 3.465 149 HA ASP 21 HA ASP 21 6.868 4.036 1.271 150 HB2 ASP 21 1HB ASP 21 7.888 3.188 3.667 151 HB3 ASP 21 2HB ASP 21 8.066 1.758 2.622 152 H ARG 22 H ARG 22 8.364 2.818 -0.199 153 HA ARG 22 HA ARG 22 6.782 1.101 -1.881 154 HB2 ARG 22 1HB ARG 22 8.545 2.575 -2.676 155 HB3 ARG 22 2HB ARG 22 9.741 1.480 -1.942 156 HG2 ARG 22 1HG ARG 22 8.917 -0.352 -3.388 157 HG3 ARG 22 2HG ARG 22 7.780 0.786 -4.151 158 HD2 ARG 22 1HD ARG 22 9.610 0.514 -5.590 159 HD3 ARG 22 2HD ARG 22 9.733 2.131 -4.858 160 HE ARG 22 HE ARG 22 11.852 1.382 -3.845 161 HH11 ARG 22 1HH1 ARG 22 10.119 -1.376 -5.092 162 HH12 ARG 22 2HH1 ARG 22 11.541 -2.377 -4.867 163 HH21 ARG 22 1HH2 ARG 22 13.484 0.247 -3.574 164 HH22 ARG 22 2HH2 ARG 22 13.459 -1.454 -4.001 165 H GLU 23 H GLU 23 9.452 0.418 0.373 166 HA GLU 23 HA GLU 23 9.401 -2.440 -0.102 167 HB2 GLU 23 1HB GLU 23 10.438 -0.747 2.174 168 HB3 GLU 23 2HB GLU 23 10.631 -2.515 2.079 169 HG2 GLU 23 1HG GLU 23 11.998 -2.232 -0.027 170 HG3 GLU 23 2HG GLU 23 11.620 -0.500 0.105 171 H GLU 24 H GLU 24 7.779 -0.303 2.205 172 HA GLU 24 HA GLU 24 6.525 -2.418 3.717 173 HB2 GLU 24 1HB GLU 24 5.791 0.466 3.211 174 HB3 GLU 24 2HB GLU 24 4.876 -0.613 4.291 175 HG2 GLU 24 1HG GLU 24 6.898 -0.840 5.771 176 HG3 GLU 24 2HG GLU 24 7.770 0.091 4.533 177 H PHE 25 H PHE 25 5.640 -0.700 0.758 178 HA PHE 25 HA PHE 25 3.020 -1.893 0.510 179 HB2 PHE 25 1HB PHE 25 3.681 0.125 -0.766 180 HB3 PHE 25 2HB PHE 25 4.900 -0.828 -1.643 181 HD1 PHE 25 1HD PHE 25 1.244 -0.665 -0.957 182 HD2 PHE 25 2HD PHE 25 4.366 -1.845 -3.623 183 HE1 PHE 25 1HE PHE 25 -0.442 -1.240 -2.672 184 HE2 PHE 25 2HE PHE 25 2.683 -2.419 -5.342 185 HZ PHE 25 HZ PHE 25 0.279 -2.117 -4.864 186 H GLY 26 H GLY 26 6.242 -2.853 -0.643 187 HA2 GLY 26 1HA GLY 26 5.536 -5.173 -2.064 188 HA3 GLY 26 2HA GLY 26 7.036 -4.970 -1.129 189 H ASP 27 H ASP 27 5.986 -4.713 1.448 190 HA ASP 27 HA ASP 27 5.376 -7.422 2.200 191 HB2 ASP 27 1HB ASP 27 5.122 -4.780 3.755 192 HB3 ASP 27 2HB ASP 27 4.693 -6.426 4.285 193 H ILE 28 H ILE 28 3.333 -4.554 1.734 194 HA ILE 28 HA ILE 28 0.885 -5.697 2.665 195 HB ILE 28 HB ILE 28 1.442 -3.603 0.518 196 HG12 ILE 28 1HG1 ILE 28 0.419 -3.326 3.332 197 HG13 ILE 28 2HG1 ILE 28 2.104 -3.078 2.820 198 HG21 ILE 28 1HG2 ILE 28 -0.957 -3.034 0.690 199 HG22 ILE 28 2HG2 ILE 28 -0.735 -4.698 0.102 200 HG23 ILE 28 3HG2 ILE 28 -1.205 -4.407 1.793 201 HD11 ILE 28 3HD1 ILE 28 -0.299 -1.485 1.861 202 HD12 ILE 28 1HD1 ILE 28 0.916 -0.931 3.037 203 HD13 ILE 28 2HD1 ILE 28 1.387 -1.237 1.348 204 H ILE 29 H ILE 29 2.319 -5.764 -0.584 205 HA ILE 29 HA ILE 29 0.203 -7.269 -1.809 206 HB ILE 29 HB ILE 29 3.198 -7.221 -2.397 207 HG12 ILE 29 1HG1 ILE 29 2.235 -5.063 -2.615 208 HG13 ILE 29 2HG1 ILE 29 2.597 -5.740 -4.220 209 HG21 ILE 29 1HG2 ILE 29 2.568 -8.142 -4.603 210 HG22 ILE 29 2HG2 ILE 29 2.118 -9.256 -3.291 211 HG23 ILE 29 3HG2 ILE 29 0.874 -8.254 -4.072 212 HD11 ILE 29 3HD1 ILE 29 -0.146 -5.622 -2.918 213 HD12 ILE 29 1HD1 ILE 29 0.435 -4.559 -4.221 214 HD13 ILE 29 2HD1 ILE 29 0.217 -6.299 -4.523 215 H ARG 30 H ARG 30 3.074 -8.343 -0.031 216 HA ARG 30 HA ARG 30 2.474 -11.158 -0.350 217 HB2 ARG 30 1HB ARG 30 4.180 -9.670 1.585 218 HB3 ARG 30 2HB ARG 30 3.939 -11.432 1.628 219 HG2 ARG 30 1HG ARG 30 4.805 -11.561 -0.704 220 HG3 ARG 30 2HG ARG 30 5.146 -9.815 -0.637 221 HD2 ARG 30 1HD ARG 30 6.305 -11.742 1.330 222 HD3 ARG 30 2HD ARG 30 7.053 -11.425 -0.253 223 HE ARG 30 HE ARG 30 7.079 -9.488 2.023 224 HH11 ARG 30 1HH1 ARG 30 7.732 -10.048 -1.357 225 HH12 ARG 30 2HH1 ARG 30 8.739 -8.614 -1.405 226 HH21 ARG 30 1HH2 ARG 30 8.235 -7.849 1.985 227 HH22 ARG 30 2HH2 ARG 30 9.028 -7.360 0.500 228 H LEU 31 H LEU 31 1.482 -8.689 1.957 229 HA LEU 31 HA LEU 31 0.378 -10.588 3.860 230 HB2 LEU 31 1HB LEU 31 0.064 -7.714 3.323 231 HB3 LEU 31 2HB LEU 31 -0.780 -8.409 4.727 232 HG LEU 31 HG LEU 31 2.233 -8.363 4.300 233 HD11 LEU 31 1HD1 LEU 31 2.234 -6.735 6.209 234 HD12 LEU 31 2HD1 LEU 31 1.299 -6.112 4.829 235 HD13 LEU 31 3HD1 LEU 31 0.456 -6.795 6.241 236 HD21 LEU 31 3HD2 LEU 31 1.511 -10.320 5.534 237 HD22 LEU 31 1HD2 LEU 31 2.353 -9.193 6.623 238 HD23 LEU 31 2HD2 LEU 31 0.576 -9.303 6.657 239 H THR 32 H THR 32 -0.828 -8.942 1.018 240 HA THR 32 HA THR 32 -3.604 -9.809 1.566 241 HB THR 32 HB THR 32 -4.098 -8.797 -0.645 242 HG1 THR 32 1HG THR 32 -2.345 -7.689 -1.702 243 HG21 THR 32 1HG2 THR 32 -3.573 -6.458 -0.052 244 HG22 THR 32 2HG2 THR 32 -4.123 -7.372 1.373 245 HG23 THR 32 3HG2 THR 32 -2.392 -7.027 1.151 246 H GLY 33 H GLY 33 -0.820 -11.227 0.359 247 HA2 GLY 33 1HA GLY 33 -0.574 -13.417 -0.382 248 HA3 GLY 33 2HA GLY 33 -2.344 -13.597 -0.357 249 H GLU 34 H GLU 34 -0.783 -10.969 -2.070 250 HA GLU 34 HA GLU 34 -1.873 -12.042 -4.622 251 HB2 GLU 34 1HB GLU 34 -0.785 -9.364 -3.764 252 HB3 GLU 34 2HB GLU 34 -1.165 -9.766 -5.456 253 HG2 GLU 34 1HG GLU 34 -3.198 -9.674 -3.144 254 HG3 GLU 34 2HG GLU 34 -2.911 -8.512 -4.460 255 H GLN 35 H GLN 35 -0.742 -12.710 -6.294 256 HA GLN 35 HA GLN 35 2.182 -13.033 -5.860 257 HB2 GLN 35 1HB GLN 35 0.313 -14.187 -7.942 258 HB3 GLN 35 2HB GLN 35 2.042 -14.571 -7.768 259 HG2 GLN 35 1HG GLN 35 -0.155 -15.452 -5.696 260 HG3 GLN 35 2HG GLN 35 0.782 -16.210 -7.005 261 HE21 GLN 35 2HE2 GLN 35 0.659 -15.456 -3.701 262 HE22 GLN 35 1HE2 GLN 35 2.297 -15.837 -3.290 263 H LEU 36 H LEU 36 3.038 -11.061 -6.287 264 HA LEU 36 HA LEU 36 2.859 -10.233 -9.163 265 HB2 LEU 36 1HB LEU 36 3.186 -8.644 -6.703 266 HB3 LEU 36 2HB LEU 36 3.286 -7.862 -8.298 267 HG LEU 36 HG LEU 36 0.840 -9.195 -7.072 268 HD11 LEU 36 1HD1 LEU 36 -0.115 -6.876 -7.133 269 HD12 LEU 36 2HD1 LEU 36 1.354 -6.944 -6.130 270 HD13 LEU 36 3HD1 LEU 36 1.430 -6.273 -7.777 271 HD21 LEU 36 3HD2 LEU 36 0.925 -9.580 -9.464 272 HD22 LEU 36 1HD2 LEU 36 -0.363 -8.413 -9.083 273 HD23 LEU 36 2HD2 LEU 36 1.182 -7.845 -9.764 274 H THR 37 H THR 37 4.700 -9.378 -10.128 275 HA THR 37 HA THR 37 7.243 -10.333 -8.968 276 HB THR 37 HB THR 37 8.253 -9.634 -11.058 277 HG1 THR 37 1HG THR 37 6.736 -8.633 -12.651 278 HG21 THR 37 1HG2 THR 37 6.916 -10.930 -12.681 279 HG22 THR 37 2HG2 THR 37 6.992 -11.758 -11.108 280 HG23 THR 37 3HG2 THR 37 5.521 -10.874 -11.578 281 H ASP 38 H ASP 38 9.167 -8.849 -9.165 282 HA ASP 38 HA ASP 38 8.886 -6.637 -7.393 283 HB2 ASP 38 1HB ASP 38 11.108 -7.262 -9.430 284 HB3 ASP 38 2HB ASP 38 10.995 -5.922 -8.261 285 H GLU 39 H GLU 39 8.732 -6.811 -10.916 286 HA GLU 39 HA GLU 39 8.651 -3.907 -11.240 287 HB2 GLU 39 1HB GLU 39 7.972 -6.211 -13.071 288 HB3 GLU 39 2HB GLU 39 7.910 -4.497 -13.549 289 HG2 GLU 39 1HG GLU 39 10.400 -4.318 -13.130 290 HG3 GLU 39 2HG GLU 39 10.300 -6.003 -12.571 291 H ASP 40 H ASP 40 6.255 -6.512 -11.076 292 HA ASP 40 HA ASP 40 3.996 -4.856 -11.760 293 HB2 ASP 40 1HB ASP 40 4.146 -7.504 -10.196 294 HB3 ASP 40 2HB ASP 40 2.719 -6.528 -10.624 295 H VAL 41 H VAL 41 5.528 -5.687 -8.671 296 HA VAL 41 HA VAL 41 3.552 -4.313 -7.029 297 HB VAL 41 HB VAL 41 6.450 -5.091 -6.506 298 HG11 VAL 41 1HG1 VAL 41 5.925 -4.659 -4.130 299 HG12 VAL 41 2HG1 VAL 41 5.765 -3.176 -5.100 300 HG13 VAL 41 3HG1 VAL 41 4.312 -4.070 -4.592 301 HG21 VAL 41 3HG2 VAL 41 4.990 -6.994 -6.844 302 HG22 VAL 41 1HG2 VAL 41 5.477 -6.866 -5.137 303 HG23 VAL 41 2HG2 VAL 41 3.847 -6.355 -5.637 304 H ASP 42 H ASP 42 6.731 -3.340 -8.300 305 HA ASP 42 HA ASP 42 6.598 -0.685 -7.180 306 HB2 ASP 42 1HB ASP 42 8.220 -1.798 -9.547 307 HB3 ASP 42 2HB ASP 42 8.184 -0.140 -8.892 308 H GLU 43 H GLU 43 5.388 -2.109 -10.159 309 HA GLU 43 HA GLU 43 4.768 0.356 -11.500 310 HB2 GLU 43 1HB GLU 43 4.831 -1.832 -12.599 311 HB3 GLU 43 2HB GLU 43 3.415 -2.344 -11.648 312 HG2 GLU 43 1HG GLU 43 2.043 -0.540 -12.810 313 HG3 GLU 43 2HG GLU 43 3.558 -0.121 -13.642 314 H ILE 44 H ILE 44 2.750 -1.758 -9.445 315 HA ILE 44 HA ILE 44 0.461 0.019 -9.492 316 HB ILE 44 HB ILE 44 1.321 -2.140 -7.513 317 HG12 ILE 44 1HG1 ILE 44 -0.838 -2.199 -9.599 318 HG13 ILE 44 2HG1 ILE 44 0.815 -2.806 -9.851 319 HG21 ILE 44 1HG2 ILE 44 -1.001 -2.027 -6.673 320 HG22 ILE 44 2HG2 ILE 44 -0.156 -0.480 -6.432 321 HG23 ILE 44 3HG2 ILE 44 -1.328 -0.656 -7.760 322 HD11 ILE 44 3HD1 ILE 44 -1.151 -3.816 -7.767 323 HD12 ILE 44 1HD1 ILE 44 -0.728 -4.640 -9.285 324 HD13 ILE 44 2HD1 ILE 44 0.503 -4.423 -8.018 325 H PHE 45 H PHE 45 3.225 -0.273 -7.303 326 HA PHE 45 HA PHE 45 2.394 1.630 -5.370 327 HB2 PHE 45 1HB PHE 45 4.423 0.244 -5.103 328 HB3 PHE 45 2HB PHE 45 5.199 1.110 -6.446 329 HD1 PHE 45 1HD PHE 45 3.936 1.424 -2.994 330 HD2 PHE 45 2HD PHE 45 6.226 3.195 -6.137 331 HE1 PHE 45 1HE PHE 45 4.836 3.086 -1.400 332 HE2 PHE 45 2HE PHE 45 7.130 4.857 -4.545 333 HZ PHE 45 HZ PHE 45 6.432 4.803 -2.176 334 H GLY 46 H GLY 46 4.171 2.167 -8.418 335 HA2 GLY 46 1HA GLY 46 4.328 5.016 -8.077 336 HA3 GLY 46 2HA GLY 46 4.563 4.122 -9.596 337 H ASP 47 H ASP 47 1.942 2.844 -9.511 338 HA ASP 47 HA ASP 47 0.412 4.921 -10.841 339 HB2 ASP 47 1HB ASP 47 -0.331 2.050 -10.024 340 HB3 ASP 47 2HB ASP 47 -1.347 3.289 -10.799 341 H SER 48 H SER 48 0.359 3.487 -7.623 342 HA SER 48 HA SER 48 -2.158 4.799 -6.798 343 HB2 SER 48 1HB SER 48 -1.778 3.931 -4.719 344 HB3 SER 48 2HB SER 48 -1.494 2.683 -5.954 345 HG SER 48 HG SER 48 0.746 3.065 -5.686 346 H ASP 49 H ASP 49 1.225 5.632 -7.008 347 HA ASP 49 HA ASP 49 1.120 7.770 -5.013 348 HB2 ASP 49 1HB ASP 49 3.294 6.553 -5.808 349 HB3 ASP 49 2HB ASP 49 2.927 7.426 -7.315 350 H THR 50 H THR 50 -0.874 8.745 -5.720 351 HA THR 50 HA THR 50 -1.115 9.936 -8.338 352 HB THR 50 HB THR 50 -2.532 10.622 -5.729 353 HG1 THR 50 1HG THR 50 -4.191 9.310 -6.697 354 HG21 THR 50 1HG2 THR 50 -4.233 11.655 -7.193 355 HG22 THR 50 2HG2 THR 50 -2.652 12.452 -7.385 356 HG23 THR 50 3HG2 THR 50 -3.224 11.300 -8.615 357 H ASP 51 H ASP 51 0.023 11.166 -5.218 358 HA ASP 51 HA ASP 51 0.322 13.893 -6.238 359 HB2 ASP 51 1HB ASP 51 1.295 12.571 -3.633 360 HB3 ASP 51 2HB ASP 51 1.570 14.227 -4.227 361 H LYS 52 H LYS 52 2.068 11.060 -6.662 362 HA LYS 52 HA LYS 52 4.219 10.620 -7.429 363 HB2 LYS 52 1HB LYS 52 4.000 13.484 -8.373 364 HB3 LYS 52 2HB LYS 52 5.209 12.292 -8.910 365 HG2 LYS 52 1HG LYS 52 3.415 10.901 -9.865 366 HG3 LYS 52 2HG LYS 52 2.207 12.094 -9.330 367 HD2 LYS 52 1HD LYS 52 3.302 13.809 -10.744 368 HD3 LYS 52 2HD LYS 52 4.457 12.579 -11.312 369 HE2 LYS 52 1HE LYS 52 2.642 11.273 -12.277 370 HE3 LYS 52 2HE LYS 52 1.446 12.426 -11.643 371 HZ1 LYS 52 3HZ LYS 52 3.525 13.041 -13.643 372 HZ2 LYS 52 1HZ LYS 52 1.922 12.825 -13.963 373 HZ3 LYS 52 2HZ LYS 52 2.415 14.111 -13.055 374 H ASN 53 H ASN 53 4.159 11.148 -4.772 375 HA ASN 53 HA ASN 53 6.408 13.071 -4.299 376 HB2 ASN 53 1HB ASN 53 5.480 13.372 -1.988 377 HB3 ASN 53 2HB ASN 53 4.338 13.338 -3.353 378 HD21 ASN 53 2HD2 ASN 53 3.531 13.016 -0.738 379 HD22 ASN 53 1HD2 ASN 53 2.956 11.397 -0.513 380 H GLY 54 H GLY 54 5.935 9.866 -4.834 381 HA2 GLY 54 1HA GLY 54 7.783 8.365 -4.850 382 HA3 GLY 54 2HA GLY 54 8.548 9.306 -3.547 383 H ARG 55 H ARG 55 5.405 9.070 -2.660 384 HA ARG 55 HA ARG 55 5.712 6.418 -1.320 385 HB2 ARG 55 1HB ARG 55 5.065 8.948 0.127 386 HB3 ARG 55 2HB ARG 55 5.007 7.295 0.782 387 HG2 ARG 55 1HG ARG 55 7.515 8.603 -0.308 388 HG3 ARG 55 2HG ARG 55 7.054 8.615 1.412 389 HD2 ARG 55 1HD ARG 55 7.087 6.157 1.374 390 HD3 ARG 55 2HD ARG 55 7.705 6.235 -0.293 391 HE ARG 55 HE ARG 55 9.354 6.826 2.127 392 HH11 ARG 55 1HH1 ARG 55 9.122 6.915 -1.351 393 HH12 ARG 55 2HH1 ARG 55 10.860 7.102 -1.468 394 HH21 ARG 55 1HH2 ARG 55 11.347 7.031 2.009 395 HH22 ARG 55 2HH2 ARG 55 12.131 7.167 0.446 396 H ILE 56 H ILE 56 3.672 5.836 -0.105 397 HA ILE 56 HA ILE 56 1.261 6.829 -1.604 398 HB ILE 56 HB ILE 56 1.712 4.245 -0.041 399 HG12 ILE 56 1HG1 ILE 56 1.185 4.671 -2.970 400 HG13 ILE 56 2HG1 ILE 56 2.784 4.378 -2.246 401 HG21 ILE 56 1HG2 ILE 56 -0.570 3.652 -0.782 402 HG22 ILE 56 2HG2 ILE 56 -0.587 5.110 0.236 403 HG23 ILE 56 3HG2 ILE 56 -0.746 5.256 -1.530 404 HD11 ILE 56 3HD1 ILE 56 0.414 2.477 -2.154 405 HD12 ILE 56 1HD1 ILE 56 1.844 2.308 -3.197 406 HD13 ILE 56 2HD1 ILE 56 2.013 2.184 -1.429 407 H ASP 57 H ASP 57 0.096 8.256 -0.692 408 HA ASP 57 HA ASP 57 0.315 8.770 2.185 409 HB2 ASP 57 1HB ASP 57 -0.244 10.453 0.084 410 HB3 ASP 57 2HB ASP 57 -1.841 9.819 0.553 411 H PHE 58 H PHE 58 -1.768 9.185 3.418 412 HA PHE 58 HA PHE 58 -3.104 6.664 3.779 413 HB2 PHE 58 1HB PHE 58 -2.876 8.262 5.629 414 HB3 PHE 58 2HB PHE 58 -3.849 9.459 4.746 415 HD1 PHE 58 1HD PHE 58 -3.998 6.033 6.190 416 HD2 PHE 58 2HD PHE 58 -6.123 9.553 5.035 417 HE1 PHE 58 1HE PHE 58 -6.049 5.136 7.239 418 HE2 PHE 58 2HE PHE 58 -8.176 8.661 6.084 419 HZ PHE 58 HZ PHE 58 -8.138 6.451 7.186 420 H ASP 59 H ASP 59 -4.234 9.732 2.340 421 HA ASP 59 HA ASP 59 -6.803 8.717 1.554 422 HB2 ASP 59 1HB ASP 59 -5.135 11.036 0.410 423 HB3 ASP 59 2HB ASP 59 -6.751 10.466 -0.074 424 H GLU 60 H GLU 60 -3.660 8.765 -0.089 425 HA GLU 60 HA GLU 60 -4.641 7.552 -2.529 426 HB2 GLU 60 1HB GLU 60 -1.913 7.651 -1.237 427 HB3 GLU 60 2HB GLU 60 -2.237 6.936 -2.835 428 HG2 GLU 60 1HG GLU 60 -2.903 9.172 -3.724 429 HG3 GLU 60 2HG GLU 60 -2.831 9.755 -2.045 430 H PHE 61 H PHE 61 -3.506 6.280 0.556 431 HA PHE 61 HA PHE 61 -3.273 3.538 -0.260 432 HB2 PHE 61 1HB PHE 61 -2.324 4.313 1.863 433 HB3 PHE 61 2HB PHE 61 -3.942 4.748 2.458 434 HD1 PHE 61 1HD PHE 61 -1.653 1.992 1.662 435 HD2 PHE 61 2HD PHE 61 -5.454 3.103 3.268 436 HE1 PHE 61 1HE PHE 61 -1.904 -0.269 2.629 437 HE2 PHE 61 2HE PHE 61 -5.706 0.844 4.240 438 HZ PHE 61 HZ PHE 61 -3.931 -0.844 3.917 439 H LEU 62 H LEU 62 -6.016 5.400 1.022 440 HA LEU 62 HA LEU 62 -7.811 3.184 1.244 441 HB2 LEU 62 1HB LEU 62 -8.173 6.054 0.694 442 HB3 LEU 62 2HB LEU 62 -9.598 5.055 1.063 443 HG LEU 62 HG LEU 62 -7.250 5.605 2.920 444 HD11 LEU 62 1HD1 LEU 62 -8.951 6.850 4.279 445 HD12 LEU 62 2HD1 LEU 62 -8.782 7.554 2.654 446 HD13 LEU 62 3HD1 LEU 62 -10.174 6.510 3.033 447 HD21 LEU 62 3HD2 LEU 62 -8.138 3.372 3.244 448 HD22 LEU 62 1HD2 LEU 62 -8.579 4.407 4.622 449 HD23 LEU 62 2HD2 LEU 62 -9.791 4.018 3.377 450 H LYS 63 H LYS 63 -7.000 5.289 -1.476 451 HA LYS 63 HA LYS 63 -9.001 3.990 -3.207 452 HB2 LYS 63 1HB LYS 63 -6.769 5.949 -3.765 453 HB3 LYS 63 2HB LYS 63 -7.933 5.355 -4.973 454 HG2 LYS 63 1HG LYS 63 -9.779 6.365 -3.695 455 HG3 LYS 63 2HG LYS 63 -8.617 6.955 -2.483 456 HD2 LYS 63 1HD LYS 63 -7.498 8.305 -4.218 457 HD3 LYS 63 2HD LYS 63 -8.671 7.721 -5.422 458 HE2 LYS 63 1HE LYS 63 -10.503 8.730 -4.125 459 HE3 LYS 63 2HE LYS 63 -9.328 9.318 -2.927 460 HZ1 LYS 63 3HZ LYS 63 -9.417 10.103 -5.769 461 HZ2 LYS 63 1HZ LYS 63 -9.924 11.029 -4.503 462 HZ3 LYS 63 2HZ LYS 63 -8.326 10.649 -4.659 463 H MET 64 H MET 64 -5.653 3.583 -2.367 464 HA MET 64 HA MET 64 -4.913 2.049 -4.719 465 HB2 MET 64 1HB MET 64 -3.271 3.155 -3.323 466 HB3 MET 64 2HB MET 64 -3.764 2.166 -1.928 467 HG2 MET 64 1HG MET 64 -2.781 0.844 -4.442 468 HG3 MET 64 2HG MET 64 -1.612 1.548 -3.300 469 HE1 MET 64 3HE MET 64 -2.633 1.067 -0.470 470 HE2 MET 64 1HE MET 64 -2.027 -0.565 -0.099 471 HE3 MET 64 2HE MET 64 -1.006 0.580 -1.005 472 H MET 65 H MET 65 -6.040 1.170 -1.459 473 HA MET 65 HA MET 65 -5.684 -1.671 -1.874 474 HB2 MET 65 1HB MET 65 -7.329 -0.055 0.067 475 HB3 MET 65 2HB MET 65 -7.219 -1.832 0.101 476 HG2 MET 65 1HG MET 65 -4.910 0.107 0.438 477 HG3 MET 65 2HG MET 65 -5.716 -0.789 1.748 478 HE1 MET 65 3HE MET 65 -6.210 -3.641 0.609 479 HE2 MET 65 1HE MET 65 -4.705 -4.480 1.054 480 HE3 MET 65 2HE MET 65 -5.457 -3.338 2.195 481 H GLU 66 H GLU 66 -8.182 0.578 -2.743 482 HA GLU 66 HA GLU 66 -10.285 -1.327 -3.221 483 HB2 GLU 66 1HB GLU 66 -9.590 1.329 -4.472 484 HB3 GLU 66 2HB GLU 66 -11.038 0.388 -4.903 485 HG2 GLU 66 1HG GLU 66 -11.884 0.619 -2.544 486 HG3 GLU 66 2HG GLU 66 -10.324 1.389 -2.179 487 H ASN 67 H ASN 67 -7.335 -0.619 -4.903 488 HA ASN 67 HA ASN 67 -8.261 -2.217 -7.254 489 HB2 ASN 67 1HB ASN 67 -5.652 -0.529 -7.101 490 HB3 ASN 67 2HB ASN 67 -6.409 -1.663 -8.246 491 HD21 ASN 67 2HD2 ASN 67 -6.266 1.533 -7.075 492 HD22 ASN 67 1HD2 ASN 67 -7.513 2.210 -8.067 493 H VAL 68 H VAL 68 -7.133 -2.912 -4.336 494 HA VAL 68 HA VAL 68 -5.285 -5.080 -5.325 495 HB VAL 68 HB VAL 68 -5.679 -3.952 -2.521 496 HG11 VAL 68 1HG1 VAL 68 -3.764 -5.401 -1.937 497 HG12 VAL 68 2HG1 VAL 68 -5.137 -6.363 -2.533 498 HG13 VAL 68 3HG1 VAL 68 -3.745 -6.045 -3.595 499 HG21 VAL 68 3HG2 VAL 68 -4.507 -2.388 -3.953 500 HG22 VAL 68 1HG2 VAL 68 -3.400 -3.103 -2.757 501 HG23 VAL 68 2HG2 VAL 68 -3.368 -3.665 -4.447 502 H GLN 69 H GLN 69 -6.044 -6.973 -5.595 503 HA GLN 69 HA GLN 69 -8.699 -7.705 -4.715 504 HB2 GLN 69 1HB GLN 69 -7.612 -8.602 -6.733 505 HB3 GLN 69 2HB GLN 69 -6.409 -9.416 -5.706 506 HG2 GLN 69 1HG GLN 69 -8.425 -10.914 -4.758 507 HG3 GLN 69 2HG GLN 69 -9.283 -9.729 -5.772 508 HE21 GLN 69 2HE2 GLN 69 -9.617 -12.493 -6.053 509 HE22 GLN 69 1HE2 GLN 69 -8.962 -12.986 -7.579 Start of MODEL 4 1 H1 SER 1 1H SER 1 -14.371 -1.800 1.778 2 H2 SER 1 2H SER 1 -14.975 -0.607 1.098 3 H3 SER 1 3H SER 1 -13.496 -0.661 1.345 4 HA SER 1 HA SER 1 -15.443 0.449 3.197 5 HB2 SER 1 1HB SER 1 -15.798 -1.653 4.006 6 HB3 SER 1 2HB SER 1 -14.055 -1.975 4.157 7 HG SER 1 HG SER 1 -15.282 -1.258 6.097 8 H GLU 2 H GLU 2 -14.438 2.362 3.434 9 HA GLU 2 HA GLU 2 -11.558 2.684 3.564 10 HB2 GLU 2 1HB GLU 2 -13.863 4.469 4.350 11 HB3 GLU 2 2HB GLU 2 -12.152 4.956 4.414 12 HG2 GLU 2 1HG GLU 2 -11.998 4.641 1.905 13 HG3 GLU 2 2HG GLU 2 -13.681 4.074 2.002 14 H GLU 3 H GLU 3 -14.035 1.971 5.907 15 HA GLU 3 HA GLU 3 -12.462 2.680 8.243 16 HB2 GLU 3 1HB GLU 3 -14.810 0.831 7.820 17 HB3 GLU 3 2HB GLU 3 -14.078 1.165 9.408 18 HG2 GLU 3 1HG GLU 3 -14.720 3.598 9.171 19 HG3 GLU 3 2HG GLU 3 -15.293 3.162 7.544 20 H GLU 4 H GLU 4 -12.918 -0.306 6.381 21 HA GLU 4 HA GLU 4 -11.086 -1.837 8.060 22 HB2 GLU 4 1HB GLU 4 -12.174 -2.240 5.272 23 HB3 GLU 4 2HB GLU 4 -11.088 -3.388 6.094 24 HG2 GLU 4 1HG GLU 4 -12.859 -3.709 7.891 25 HG3 GLU 4 2HG GLU 4 -13.799 -2.497 6.990 26 H LEU 5 H LEU 5 -10.790 0.162 5.174 27 HA LEU 5 HA LEU 5 -8.011 -0.536 4.689 28 HB2 LEU 5 1HB LEU 5 -10.017 1.307 3.804 29 HB3 LEU 5 2HB LEU 5 -8.395 2.002 3.577 30 HG LEU 5 HG LEU 5 -7.772 0.372 2.016 31 HD11 LEU 5 1HD1 LEU 5 -9.058 -1.752 1.654 32 HD12 LEU 5 2HD1 LEU 5 -8.514 -1.606 3.342 33 HD13 LEU 5 3HD1 LEU 5 -10.207 -1.254 2.918 34 HD21 LEU 5 3HD2 LEU 5 -9.396 1.907 1.076 35 HD22 LEU 5 1HD2 LEU 5 -9.577 0.300 0.332 36 HD23 LEU 5 2HD2 LEU 5 -10.733 0.843 1.573 37 H SER 6 H SER 6 -9.651 1.724 6.789 38 HA SER 6 HA SER 6 -7.381 3.326 7.612 39 HB2 SER 6 1HB SER 6 -9.593 3.959 8.040 40 HB3 SER 6 2HB SER 6 -9.812 2.558 9.113 41 HG SER 6 HG SER 6 -9.243 4.464 10.247 42 H GLU 7 H GLU 7 -8.781 0.246 8.809 43 HA GLU 7 HA GLU 7 -6.823 -0.170 10.882 44 HB2 GLU 7 1HB GLU 7 -8.586 -2.063 9.327 45 HB3 GLU 7 2HB GLU 7 -7.547 -2.557 10.685 46 HG2 GLU 7 1HG GLU 7 -8.878 -1.086 12.232 47 HG3 GLU 7 2HG GLU 7 -9.733 -0.521 10.779 48 H CYS 8 H CYS 8 -7.017 -1.324 7.516 49 HA CYS 8 HA CYS 8 -4.597 -2.876 7.462 50 HB2 CYS 8 1HB CYS 8 -6.217 -1.235 5.472 51 HB3 CYS 8 2HB CYS 8 -4.891 -2.327 5.002 52 HG CYS 8 HG CYS 8 -5.937 -4.447 6.004 53 H PHE 9 H PHE 9 -5.254 0.596 6.898 54 HA PHE 9 HA PHE 9 -2.654 1.293 5.936 55 HB2 PHE 9 1HB PHE 9 -4.609 2.787 5.697 56 HB3 PHE 9 2HB PHE 9 -4.670 2.998 7.461 57 HD1 PHE 9 1HD PHE 9 -2.370 3.437 4.560 58 HD2 PHE 9 2HD PHE 9 -3.609 4.771 8.424 59 HE1 PHE 9 1HE PHE 9 -0.840 5.371 4.380 60 HE2 PHE 9 2HE PHE 9 -2.081 6.708 8.248 61 HZ PHE 9 HZ PHE 9 -0.696 7.007 6.225 62 H ARG 10 H ARG 10 -4.001 1.467 9.240 63 HA ARG 10 HA ARG 10 -1.532 2.505 10.355 64 HB2 ARG 10 1HB ARG 10 -3.978 1.356 11.607 65 HB3 ARG 10 2HB ARG 10 -2.552 1.898 12.523 66 HG2 ARG 10 1HG ARG 10 -2.820 4.160 11.619 67 HG3 ARG 10 2HG ARG 10 -4.230 3.623 10.676 68 HD2 ARG 10 1HD ARG 10 -5.435 3.167 12.706 69 HD3 ARG 10 2HD ARG 10 -4.019 3.649 13.670 70 HE ARG 10 HE ARG 10 -4.812 5.949 12.116 71 HH11 ARG 10 1HH1 ARG 10 -6.153 3.965 14.650 72 HH12 ARG 10 2HH1 ARG 10 -7.048 5.341 15.262 73 HH21 ARG 10 1HH2 ARG 10 -5.837 7.533 12.800 74 HH22 ARG 10 2HH2 ARG 10 -6.871 7.377 14.208 75 H ILE 11 H ILE 11 -2.910 -0.726 9.987 76 HA ILE 11 HA ILE 11 -0.865 -2.037 11.603 77 HB ILE 11 HB ILE 11 -2.809 -3.060 9.487 78 HG12 ILE 11 1HG1 ILE 11 -2.776 -3.509 12.457 79 HG13 ILE 11 2HG1 ILE 11 -3.692 -2.214 11.651 80 HG21 ILE 11 1HG2 ILE 11 -2.169 -5.326 10.236 81 HG22 ILE 11 2HG2 ILE 11 -0.778 -4.467 9.536 82 HG23 ILE 11 3HG2 ILE 11 -0.928 -4.625 11.302 83 HD11 ILE 11 3HD1 ILE 11 -4.044 -5.196 11.185 84 HD12 ILE 11 1HD1 ILE 11 -5.132 -4.155 12.132 85 HD13 ILE 11 2HD1 ILE 11 -4.960 -3.901 10.378 86 H PHE 12 H PHE 12 -1.222 -1.389 8.140 87 HA PHE 12 HA PHE 12 1.147 -2.966 7.480 88 HB2 PHE 12 1HB PHE 12 -0.533 -0.990 5.880 89 HB3 PHE 12 2HB PHE 12 0.831 -1.913 5.211 90 HD1 PHE 12 1HD PHE 12 -0.344 -4.169 7.402 91 HD2 PHE 12 2HD PHE 12 -1.601 -2.162 3.845 92 HE1 PHE 12 1HE PHE 12 -1.867 -6.046 6.884 93 HE2 PHE 12 2HE PHE 12 -3.127 -4.037 3.325 94 HZ PHE 12 HZ PHE 12 -3.258 -5.980 4.844 95 H ASP 13 H ASP 13 0.547 0.300 8.471 96 HA ASP 13 HA ASP 13 3.117 1.351 7.598 97 HB2 ASP 13 1HB ASP 13 1.044 2.787 8.262 98 HB3 ASP 13 2HB ASP 13 1.429 2.150 9.881 99 H LYS 14 H LYS 14 4.485 -0.416 8.185 100 HA LYS 14 HA LYS 14 4.807 -1.262 10.917 101 HB2 LYS 14 1HB LYS 14 5.553 -2.562 8.980 102 HB3 LYS 14 2HB LYS 14 6.758 -1.307 8.609 103 HG2 LYS 14 1HG LYS 14 7.909 -1.760 10.722 104 HG3 LYS 14 2HG LYS 14 6.686 -2.983 11.140 105 HD2 LYS 14 1HD LYS 14 7.333 -4.320 9.188 106 HD3 LYS 14 2HD LYS 14 8.533 -3.087 8.731 107 HE2 LYS 14 1HE LYS 14 9.713 -3.460 10.865 108 HE3 LYS 14 2HE LYS 14 8.528 -4.715 11.291 109 HZ1 LYS 14 3HZ LYS 14 10.353 -4.798 8.975 110 HZ2 LYS 14 1HZ LYS 14 10.532 -5.662 10.369 111 HZ3 LYS 14 2HZ LYS 14 9.254 -5.963 9.370 112 H ASP 15 H ASP 15 6.404 1.245 8.980 113 HA ASP 15 HA ASP 15 8.396 1.863 10.985 114 HB2 ASP 15 1HB ASP 15 7.351 3.489 8.591 115 HB3 ASP 15 2HB ASP 15 8.568 3.948 9.808 116 H GLY 16 H GLY 16 5.105 2.945 10.406 117 HA2 GLY 16 1HA GLY 16 3.675 3.997 11.920 118 HA3 GLY 16 2HA GLY 16 5.005 4.060 13.100 119 H ASN 17 H ASN 17 5.059 5.301 9.775 120 HA ASN 17 HA ASN 17 5.880 7.943 10.886 121 HB2 ASN 17 1HB ASN 17 6.244 6.947 7.960 122 HB3 ASN 17 2HB ASN 17 6.463 8.480 8.839 123 HD21 ASN 17 2HD2 ASN 17 8.283 6.462 7.464 124 HD22 ASN 17 1HD2 ASN 17 9.547 6.193 8.618 125 H GLY 18 H GLY 18 3.124 6.429 9.714 126 HA2 GLY 18 1HA GLY 18 1.008 7.499 9.581 127 HA3 GLY 18 2HA GLY 18 1.822 9.065 9.356 128 H PHE 19 H PHE 19 3.004 6.396 7.512 129 HA PHE 19 HA PHE 19 1.221 6.581 5.251 130 HB2 PHE 19 1HB PHE 19 2.804 7.710 3.683 131 HB3 PHE 19 2HB PHE 19 2.223 8.806 4.957 132 HD1 PHE 19 1HD PHE 19 5.090 6.797 3.793 133 HD2 PHE 19 2HD PHE 19 3.694 9.805 6.486 134 HE1 PHE 19 1HE PHE 19 7.426 7.364 4.368 135 HE2 PHE 19 2HE PHE 19 6.029 10.376 7.063 136 HZ PHE 19 HZ PHE 19 7.896 9.153 6.004 137 H ILE 20 H ILE 20 2.081 5.478 3.324 138 HA ILE 20 HA ILE 20 3.888 3.245 4.207 139 HB ILE 20 HB ILE 20 1.812 3.330 1.969 140 HG12 ILE 20 1HG1 ILE 20 0.772 3.366 4.131 141 HG13 ILE 20 2HG1 ILE 20 0.516 1.815 3.299 142 HG21 ILE 20 1HG2 ILE 20 2.255 0.904 1.802 143 HG22 ILE 20 2HG2 ILE 20 3.728 1.847 1.480 144 HG23 ILE 20 3HG2 ILE 20 3.511 1.046 3.054 145 HD11 ILE 20 3HD1 ILE 20 2.519 2.329 5.525 146 HD12 ILE 20 1HD1 ILE 20 0.969 1.474 5.697 147 HD13 ILE 20 2HD1 ILE 20 2.263 0.777 4.693 148 H ASP 21 H ASP 21 5.826 3.147 3.505 149 HA ASP 21 HA ASP 21 6.479 4.437 0.893 150 HB2 ASP 21 1HB ASP 21 8.820 4.304 1.596 151 HB3 ASP 21 2HB ASP 21 7.737 4.876 2.889 152 H ARG 22 H ARG 22 8.421 3.099 -0.168 153 HA ARG 22 HA ARG 22 6.969 0.962 -1.451 154 HB2 ARG 22 1HB ARG 22 8.517 2.370 -2.626 155 HB3 ARG 22 2HB ARG 22 9.859 1.677 -1.685 156 HG2 ARG 22 1HG ARG 22 9.451 -0.517 -2.649 157 HG3 ARG 22 2HG ARG 22 8.028 0.102 -3.521 158 HD2 ARG 22 1HD ARG 22 9.469 1.560 -4.816 159 HD3 ARG 22 2HD ARG 22 10.885 0.912 -3.956 160 HE ARG 22 HE ARG 22 9.485 -0.507 -6.163 161 HH11 ARG 22 1HH1 ARG 22 11.702 -0.806 -3.487 162 HH12 ARG 22 2HH1 ARG 22 12.325 -2.298 -4.163 163 HH21 ARG 22 1HH2 ARG 22 10.194 -2.211 -6.953 164 HH22 ARG 22 2HH2 ARG 22 11.467 -3.100 -6.139 165 H GLU 23 H GLU 23 9.553 1.023 0.966 166 HA GLU 23 HA GLU 23 10.128 -1.796 0.850 167 HB2 GLU 23 1HB GLU 23 10.480 0.276 3.019 168 HB3 GLU 23 2HB GLU 23 11.059 -1.403 3.143 169 HG2 GLU 23 1HG GLU 23 12.592 -1.004 1.177 170 HG3 GLU 23 2HG GLU 23 11.833 0.602 1.066 171 H GLU 24 H GLU 24 7.767 0.099 2.662 172 HA GLU 24 HA GLU 24 6.855 -2.182 4.242 173 HB2 GLU 24 1HB GLU 24 5.669 0.524 3.618 174 HB3 GLU 24 2HB GLU 24 4.890 -0.684 4.668 175 HG2 GLU 24 1HG GLU 24 6.750 -0.502 6.310 176 HG3 GLU 24 2HG GLU 24 7.624 0.443 5.083 177 H PHE 25 H PHE 25 5.878 -0.653 1.204 178 HA PHE 25 HA PHE 25 3.481 -2.211 0.846 179 HB2 PHE 25 1HB PHE 25 3.938 -0.133 -0.434 180 HB3 PHE 25 2HB PHE 25 5.299 -0.940 -1.246 181 HD1 PHE 25 1HD PHE 25 1.739 -1.833 -0.517 182 HD2 PHE 25 2HD PHE 25 4.861 -1.433 -3.405 183 HE1 PHE 25 1HE PHE 25 0.206 -2.640 -2.282 184 HE2 PHE 25 2HE PHE 25 3.331 -2.236 -5.174 185 HZ PHE 25 HZ PHE 25 1.003 -2.841 -4.611 186 H GLY 26 H GLY 26 6.873 -2.825 0.145 187 HA2 GLY 26 1HA GLY 26 6.540 -5.149 -1.459 188 HA3 GLY 26 2HA GLY 26 7.942 -4.794 -0.423 189 H ASP 27 H ASP 27 6.014 -4.587 1.929 190 HA ASP 27 HA ASP 27 5.794 -7.507 2.474 191 HB2 ASP 27 1HB ASP 27 5.410 -5.127 4.389 192 HB3 ASP 27 2HB ASP 27 5.306 -6.883 4.657 193 H ILE 28 H ILE 28 3.818 -4.626 2.047 194 HA ILE 28 HA ILE 28 1.336 -5.695 2.997 195 HB ILE 28 HB ILE 28 1.962 -3.636 0.837 196 HG12 ILE 28 1HG1 ILE 28 0.902 -3.312 3.632 197 HG13 ILE 28 2HG1 ILE 28 2.601 -3.107 3.145 198 HG21 ILE 28 1HG2 ILE 28 -0.427 -3.014 0.969 199 HG22 ILE 28 2HG2 ILE 28 -0.233 -4.688 0.398 200 HG23 ILE 28 3HG2 ILE 28 -0.720 -4.373 2.080 201 HD11 ILE 28 3HD1 ILE 28 0.252 -1.467 2.134 202 HD12 ILE 28 1HD1 ILE 28 1.460 -0.931 3.324 203 HD13 ILE 28 2HD1 ILE 28 1.951 -1.263 1.646 204 H ILE 29 H ILE 29 2.916 -5.992 -0.146 205 HA ILE 29 HA ILE 29 0.674 -7.296 -1.436 206 HB ILE 29 HB ILE 29 2.334 -8.026 -3.108 207 HG12 ILE 29 1HG1 ILE 29 4.387 -6.964 -1.184 208 HG13 ILE 29 2HG1 ILE 29 4.063 -8.676 -1.546 209 HG21 ILE 29 1HG2 ILE 29 3.227 -5.815 -3.760 210 HG22 ILE 29 2HG2 ILE 29 1.540 -5.687 -3.211 211 HG23 ILE 29 3HG2 ILE 29 2.866 -5.190 -2.135 212 HD11 ILE 29 3HD1 ILE 29 5.064 -6.598 -3.524 213 HD12 ILE 29 1HD1 ILE 29 6.048 -7.868 -2.762 214 HD13 ILE 29 2HD1 ILE 29 4.740 -8.309 -3.886 215 H ARG 30 H ARG 30 2.962 -8.386 0.881 216 HA ARG 30 HA ARG 30 2.229 -11.223 0.316 217 HB2 ARG 30 1HB ARG 30 4.231 -10.109 2.229 218 HB3 ARG 30 2HB ARG 30 3.867 -11.826 1.945 219 HG2 ARG 30 1HG ARG 30 4.615 -11.587 -0.393 220 HG3 ARG 30 2HG ARG 30 5.004 -9.878 -0.084 221 HD2 ARG 30 1HD ARG 30 6.253 -12.167 1.393 222 HD3 ARG 30 2HD ARG 30 6.921 -11.457 -0.095 223 HE ARG 30 HE ARG 30 6.692 -9.346 1.884 224 HH11 ARG 30 1HH1 ARG 30 8.529 -12.264 1.355 225 HH12 ARG 30 2HH1 ARG 30 9.877 -11.582 2.243 226 HH21 ARG 30 1HH2 ARG 30 8.225 -8.555 2.909 227 HH22 ARG 30 2HH2 ARG 30 9.705 -9.467 3.130 228 H LEU 31 H LEU 31 1.691 -8.622 2.591 229 HA LEU 31 HA LEU 31 0.389 -10.279 4.590 230 HB2 LEU 31 1HB LEU 31 0.311 -7.430 3.858 231 HB3 LEU 31 2HB LEU 31 -0.561 -7.966 5.312 232 HG LEU 31 HG LEU 31 2.441 -8.165 4.855 233 HD11 LEU 31 1HD1 LEU 31 2.583 -6.428 6.660 234 HD12 LEU 31 2HD1 LEU 31 1.674 -5.827 5.253 235 HD13 LEU 31 3HD1 LEU 31 0.806 -6.359 6.713 236 HD21 LEU 31 3HD2 LEU 31 1.599 -9.987 6.217 237 HD22 LEU 31 1HD2 LEU 31 2.535 -8.858 7.226 238 HD23 LEU 31 2HD2 LEU 31 0.755 -8.840 7.283 239 H THR 32 H THR 32 -0.618 -8.762 1.608 240 HA THR 32 HA THR 32 -3.452 -9.482 2.145 241 HB THR 32 HB THR 32 -3.910 -8.433 -0.037 242 HG1 THR 32 1HG THR 32 -1.081 -8.006 -0.115 243 HG21 THR 32 1HG2 THR 32 -3.247 -6.121 0.522 244 HG22 THR 32 2HG2 THR 32 -3.818 -6.991 1.967 245 HG23 THR 32 3HG2 THR 32 -2.075 -6.743 1.707 246 H GLY 33 H GLY 33 -0.639 -10.714 0.564 247 HA2 GLY 33 1HA GLY 33 -0.316 -12.869 -0.247 248 HA3 GLY 33 2HA GLY 33 -2.012 -13.237 0.140 249 H GLU 34 H GLU 34 -0.595 -10.734 -1.980 250 HA GLU 34 HA GLU 34 -2.369 -11.730 -4.173 251 HB2 GLU 34 1HB GLU 34 -1.036 -9.079 -3.630 252 HB3 GLU 34 2HB GLU 34 -1.803 -9.490 -5.184 253 HG2 GLU 34 1HG GLU 34 -3.252 -9.294 -2.473 254 HG3 GLU 34 2HG GLU 34 -3.240 -8.165 -3.847 255 H GLN 35 H GLN 35 -1.657 -12.401 -6.070 256 HA GLN 35 HA GLN 35 1.199 -13.059 -6.257 257 HB2 GLN 35 1HB GLN 35 -1.057 -13.449 -8.234 258 HB3 GLN 35 2HB GLN 35 0.569 -14.165 -8.331 259 HG2 GLN 35 1HG GLN 35 -1.598 -15.023 -6.221 260 HG3 GLN 35 2HG GLN 35 -0.895 -15.677 -7.720 261 HE21 GLN 35 2HE2 GLN 35 -0.644 -15.445 -4.326 262 HE22 GLN 35 1HE2 GLN 35 0.909 -16.190 -4.141 263 H LEU 36 H LEU 36 2.046 -10.920 -6.261 264 HA LEU 36 HA LEU 36 1.691 -9.531 -8.894 265 HB2 LEU 36 1HB LEU 36 2.638 -8.600 -6.262 266 HB3 LEU 36 2HB LEU 36 2.544 -7.484 -7.644 267 HG LEU 36 HG LEU 36 0.209 -8.852 -6.251 268 HD11 LEU 36 1HD1 LEU 36 -0.425 -6.512 -5.604 269 HD12 LEU 36 2HD1 LEU 36 1.178 -6.947 -4.966 270 HD13 LEU 36 3HD1 LEU 36 1.044 -5.910 -6.405 271 HD21 LEU 36 3HD2 LEU 36 -0.192 -8.656 -8.635 272 HD22 LEU 36 1HD2 LEU 36 -1.222 -7.507 -7.749 273 HD23 LEU 36 2HD2 LEU 36 0.235 -6.928 -8.594 274 H THR 37 H THR 37 3.356 -9.101 -10.177 275 HA THR 37 HA THR 37 5.978 -10.279 -9.490 276 HB THR 37 HB THR 37 6.629 -9.710 -11.752 277 HG1 THR 37 1HG THR 37 5.067 -8.536 -13.079 278 HG21 THR 37 1HG2 THR 37 4.893 -10.885 -13.058 279 HG22 THR 37 2HG2 THR 37 5.186 -11.700 -11.503 280 HG23 THR 37 3HG2 THR 37 3.744 -10.680 -11.716 281 H ASP 38 H ASP 38 7.951 -8.979 -10.096 282 HA ASP 38 HA ASP 38 8.197 -6.736 -8.351 283 HB2 ASP 38 1HB ASP 38 9.959 -7.599 -10.722 284 HB3 ASP 38 2HB ASP 38 10.178 -6.239 -9.593 285 H GLU 39 H GLU 39 7.438 -6.927 -11.797 286 HA GLU 39 HA GLU 39 7.470 -4.043 -12.189 287 HB2 GLU 39 1HB GLU 39 6.212 -6.322 -13.720 288 HB3 GLU 39 2HB GLU 39 6.154 -4.619 -14.236 289 HG2 GLU 39 1HG GLU 39 8.675 -4.613 -14.429 290 HG3 GLU 39 2HG GLU 39 8.605 -6.269 -13.784 291 H ASP 40 H ASP 40 4.980 -6.425 -11.366 292 HA ASP 40 HA ASP 40 2.751 -4.625 -11.458 293 HB2 ASP 40 1HB ASP 40 3.175 -7.135 -9.725 294 HB3 ASP 40 2HB ASP 40 1.741 -6.091 -9.897 295 H VAL 41 H VAL 41 5.108 -5.337 -8.912 296 HA VAL 41 HA VAL 41 3.772 -3.825 -6.831 297 HB VAL 41 HB VAL 41 6.697 -4.571 -7.234 298 HG11 VAL 41 1HG1 VAL 41 6.970 -3.977 -4.849 299 HG12 VAL 41 2HG1 VAL 41 6.475 -2.563 -5.809 300 HG13 VAL 41 3HG1 VAL 41 5.283 -3.414 -4.797 301 HG21 VAL 41 3HG2 VAL 41 5.241 -6.486 -6.949 302 HG22 VAL 41 1HG2 VAL 41 6.257 -6.245 -5.510 303 HG23 VAL 41 2HG2 VAL 41 4.544 -5.762 -5.480 304 H ASP 42 H ASP 42 6.385 -2.930 -9.082 305 HA ASP 42 HA ASP 42 6.539 -0.222 -8.062 306 HB2 ASP 42 1HB ASP 42 7.556 -1.452 -10.694 307 HB3 ASP 42 2HB ASP 42 7.680 0.227 -10.113 308 H GLU 43 H GLU 43 4.713 -1.776 -10.648 309 HA GLU 43 HA GLU 43 3.751 0.669 -11.845 310 HB2 GLU 43 1HB GLU 43 3.709 -1.515 -12.958 311 HB3 GLU 43 2HB GLU 43 2.523 -2.091 -11.761 312 HG2 GLU 43 1HG GLU 43 0.876 -0.356 -12.623 313 HG3 GLU 43 2HG GLU 43 2.185 0.142 -13.718 314 H ILE 44 H ILE 44 2.283 -1.550 -9.462 315 HA ILE 44 HA ILE 44 -0.081 0.082 -9.087 316 HB ILE 44 HB ILE 44 1.243 -2.053 -7.358 317 HG12 ILE 44 1HG1 ILE 44 -1.302 -2.146 -8.951 318 HG13 ILE 44 2HG1 ILE 44 0.280 -2.700 -9.547 319 HG21 ILE 44 1HG2 ILE 44 -0.849 -2.047 -6.042 320 HG22 ILE 44 2HG2 ILE 44 -0.026 -0.474 -5.942 321 HG23 ILE 44 3HG2 ILE 44 -1.446 -0.669 -6.995 322 HD11 ILE 44 3HD1 ILE 44 -1.195 -3.802 -7.129 323 HD12 ILE 44 1HD1 ILE 44 -1.069 -4.587 -8.719 324 HD13 ILE 44 2HD1 ILE 44 0.389 -4.354 -7.724 325 H PHE 45 H PHE 45 2.996 -0.105 -7.334 326 HA PHE 45 HA PHE 45 2.313 1.769 -5.293 327 HB2 PHE 45 1HB PHE 45 4.360 0.320 -5.274 328 HB3 PHE 45 2HB PHE 45 5.044 1.322 -6.574 329 HD1 PHE 45 1HD PHE 45 3.966 1.299 -3.045 330 HD2 PHE 45 2HD PHE 45 6.047 3.393 -6.133 331 HE1 PHE 45 1HE PHE 45 4.920 2.836 -1.358 332 HE2 PHE 45 2HE PHE 45 7.005 4.930 -4.449 333 HZ PHE 45 HZ PHE 45 6.439 4.650 -2.061 334 H GLY 46 H GLY 46 3.777 2.290 -8.501 335 HA2 GLY 46 1HA GLY 46 4.083 5.123 -8.163 336 HA3 GLY 46 2HA GLY 46 4.089 4.240 -9.707 337 H ASP 47 H ASP 47 1.475 3.075 -9.411 338 HA ASP 47 HA ASP 47 -0.128 5.263 -10.442 339 HB2 ASP 47 1HB ASP 47 -0.861 2.367 -9.710 340 HB3 ASP 47 2HB ASP 47 -1.924 3.673 -10.288 341 H SER 48 H SER 48 -0.008 3.530 -7.352 342 HA SER 48 HA SER 48 -2.253 4.905 -6.097 343 HB2 SER 48 1HB SER 48 0.063 3.467 -4.953 344 HB3 SER 48 2HB SER 48 -1.325 4.128 -4.058 345 HG SER 48 HG SER 48 -1.441 2.211 -6.147 346 H ASP 49 H ASP 49 1.234 5.538 -6.444 347 HA ASP 49 HA ASP 49 1.221 7.841 -4.649 348 HB2 ASP 49 1HB ASP 49 3.322 6.419 -5.274 349 HB3 ASP 49 2HB ASP 49 3.059 7.186 -6.859 350 H THR 50 H THR 50 -0.672 8.904 -5.486 351 HA THR 50 HA THR 50 -0.681 9.873 -8.235 352 HB THR 50 HB THR 50 -2.682 11.130 -7.568 353 HG1 THR 50 1HG THR 50 -1.646 10.622 -5.023 354 HG21 THR 50 1HG2 THR 50 -4.085 9.246 -6.805 355 HG22 THR 50 2HG2 THR 50 -2.932 8.721 -8.054 356 HG23 THR 50 3HG2 THR 50 -2.623 8.344 -6.344 357 H ASP 51 H ASP 51 0.473 11.094 -5.178 358 HA ASP 51 HA ASP 51 0.884 13.811 -6.244 359 HB2 ASP 51 1HB ASP 51 1.780 12.498 -3.609 360 HB3 ASP 51 2HB ASP 51 2.147 14.119 -4.246 361 H LYS 52 H LYS 52 2.462 10.830 -6.489 362 HA LYS 52 HA LYS 52 4.583 10.225 -7.230 363 HB2 LYS 52 1HB LYS 52 4.532 13.004 -8.418 364 HB3 LYS 52 2HB LYS 52 5.599 11.661 -8.894 365 HG2 LYS 52 1HG LYS 52 2.572 11.636 -9.144 366 HG3 LYS 52 2HG LYS 52 3.690 12.044 -10.468 367 HD2 LYS 52 1HD LYS 52 4.725 9.819 -10.284 368 HD3 LYS 52 2HD LYS 52 3.618 9.411 -8.953 369 HE2 LYS 52 1HE LYS 52 1.700 9.781 -10.504 370 HE3 LYS 52 2HE LYS 52 2.864 10.033 -11.824 371 HZ1 LYS 52 3HZ LYS 52 2.582 7.563 -10.237 372 HZ2 LYS 52 1HZ LYS 52 2.044 7.777 -11.781 373 HZ3 LYS 52 2HZ LYS 52 3.663 7.797 -11.461 374 H ASN 53 H ASN 53 4.564 11.035 -4.627 375 HA ASN 53 HA ASN 53 6.966 12.803 -4.364 376 HB2 ASN 53 1HB ASN 53 4.932 12.085 -2.120 377 HB3 ASN 53 2HB ASN 53 6.537 12.852 -2.201 378 HD21 ASN 53 2HD2 ASN 53 3.700 13.743 -1.522 379 HD22 ASN 53 1HD2 ASN 53 3.505 15.212 -2.420 380 H GLY 54 H GLY 54 6.226 9.599 -4.616 381 HA2 GLY 54 1HA GLY 54 7.757 7.820 -4.363 382 HA3 GLY 54 2HA GLY 54 8.764 8.844 -3.313 383 H ARG 55 H ARG 55 5.606 9.200 -2.340 384 HA ARG 55 HA ARG 55 5.701 6.895 -0.444 385 HB2 ARG 55 1HB ARG 55 5.388 9.743 0.395 386 HB3 ARG 55 2HB ARG 55 5.125 8.305 1.410 387 HG2 ARG 55 1HG ARG 55 7.761 8.994 0.081 388 HG3 ARG 55 2HG ARG 55 7.339 9.439 1.752 389 HD2 ARG 55 1HD ARG 55 7.052 7.049 2.250 390 HD3 ARG 55 2HD ARG 55 7.640 6.682 0.612 391 HE ARG 55 HE ARG 55 9.401 7.554 2.860 392 HH11 ARG 55 1HH1 ARG 55 9.112 6.941 -0.561 393 HH12 ARG 55 2HH1 ARG 55 10.858 6.874 -0.702 394 HH21 ARG 55 1HH2 ARG 55 11.401 7.471 2.716 395 HH22 ARG 55 2HH2 ARG 55 12.164 7.174 1.166 396 H ILE 56 H ILE 56 3.739 6.347 0.535 397 HA ILE 56 HA ILE 56 1.384 7.218 -1.122 398 HB ILE 56 HB ILE 56 1.795 4.633 0.450 399 HG12 ILE 56 1HG1 ILE 56 3.309 4.712 -1.397 400 HG13 ILE 56 2HG1 ILE 56 2.014 3.525 -1.674 401 HG21 ILE 56 1HG2 ILE 56 -0.233 3.895 -0.753 402 HG22 ILE 56 2HG2 ILE 56 -0.565 5.336 0.234 403 HG23 ILE 56 3HG2 ILE 56 -0.358 5.493 -1.526 404 HD11 ILE 56 3HD1 ILE 56 2.169 6.303 -2.893 405 HD12 ILE 56 1HD1 ILE 56 2.527 4.777 -3.733 406 HD13 ILE 56 2HD1 ILE 56 0.873 5.116 -3.169 407 H ASP 57 H ASP 57 0.092 8.564 -0.247 408 HA ASP 57 HA ASP 57 -0.163 8.812 2.658 409 HB2 ASP 57 1HB ASP 57 -0.599 10.626 0.633 410 HB3 ASP 57 2HB ASP 57 -2.170 9.807 0.819 411 H PHE 58 H PHE 58 -2.468 8.940 3.556 412 HA PHE 58 HA PHE 58 -3.559 6.277 3.525 413 HB2 PHE 58 1HB PHE 58 -3.755 7.842 5.466 414 HB3 PHE 58 2HB PHE 58 -4.856 8.855 4.507 415 HD1 PHE 58 1HD PHE 58 -5.028 5.245 4.122 416 HD2 PHE 58 2HD PHE 58 -6.529 8.631 6.251 417 HE1 PHE 58 1HE PHE 58 -6.949 3.899 4.905 418 HE2 PHE 58 2HE PHE 58 -8.449 7.288 7.038 419 HZ PHE 58 HZ PHE 58 -8.660 4.922 6.363 420 H ASP 59 H ASP 59 -4.728 9.329 2.091 421 HA ASP 59 HA ASP 59 -7.030 8.203 0.820 422 HB2 ASP 59 1HB ASP 59 -5.313 10.633 0.031 423 HB3 ASP 59 2HB ASP 59 -6.786 9.996 -0.743 424 H GLU 60 H GLU 60 -3.647 8.399 -0.200 425 HA GLU 60 HA GLU 60 -4.174 7.145 -2.787 426 HB2 GLU 60 1HB GLU 60 -1.672 7.598 -1.160 427 HB3 GLU 60 2HB GLU 60 -1.687 6.799 -2.751 428 HG2 GLU 60 1HG GLU 60 -2.495 8.907 -3.821 429 HG3 GLU 60 2HG GLU 60 -2.710 9.547 -2.176 430 H PHE 61 H PHE 61 -3.446 6.035 0.458 431 HA PHE 61 HA PHE 61 -2.771 3.327 -0.200 432 HB2 PHE 61 1HB PHE 61 -2.414 4.292 2.055 433 HB3 PHE 61 2HB PHE 61 -4.174 4.423 2.277 434 HD1 PHE 61 1HD PHE 61 -1.386 2.031 1.816 435 HD2 PHE 61 2HD PHE 61 -5.440 2.623 3.027 436 HE1 PHE 61 1HE PHE 61 -1.436 -0.253 2.761 437 HE2 PHE 61 2HE PHE 61 -5.493 0.340 3.974 438 HZ PHE 61 HZ PHE 61 -3.489 -1.099 3.839 439 H LEU 62 H LEU 62 -5.874 4.970 0.166 440 HA LEU 62 HA LEU 62 -7.567 2.692 0.105 441 HB2 LEU 62 1HB LEU 62 -7.648 5.487 -0.570 442 HB3 LEU 62 2HB LEU 62 -8.979 4.595 -1.343 443 HG LEU 62 HG LEU 62 -9.934 3.992 0.732 444 HD11 LEU 62 1HD1 LEU 62 -8.782 4.396 2.925 445 HD12 LEU 62 2HD1 LEU 62 -7.818 3.333 1.874 446 HD13 LEU 62 3HD1 LEU 62 -7.378 5.049 2.049 447 HD21 LEU 62 3HD2 LEU 62 -10.350 6.307 0.145 448 HD22 LEU 62 1HD2 LEU 62 -10.258 6.137 1.914 449 HD23 LEU 62 2HD2 LEU 62 -8.883 6.821 1.013 450 H LYS 63 H LYS 63 -5.839 4.329 -2.491 451 HA LYS 63 HA LYS 63 -7.093 2.682 -4.572 452 HB2 LYS 63 1HB LYS 63 -6.249 4.969 -4.975 453 HB3 LYS 63 2HB LYS 63 -4.600 4.390 -4.640 454 HG2 LYS 63 1HG LYS 63 -4.660 2.936 -6.576 455 HG3 LYS 63 2HG LYS 63 -6.369 3.336 -6.870 456 HD2 LYS 63 1HD LYS 63 -5.749 5.685 -7.276 457 HD3 LYS 63 2HD LYS 63 -4.040 5.283 -6.985 458 HE2 LYS 63 1HE LYS 63 -4.158 3.659 -8.875 459 HE3 LYS 63 2HE LYS 63 -5.811 4.224 -9.206 460 HZ1 LYS 63 3HZ LYS 63 -3.379 5.892 -9.291 461 HZ2 LYS 63 1HZ LYS 63 -4.198 5.324 -10.605 462 HZ3 LYS 63 2HZ LYS 63 -4.912 6.417 -9.598 463 H MET 64 H MET 64 -4.055 2.664 -2.745 464 HA MET 64 HA MET 64 -2.769 0.499 -4.030 465 HB2 MET 64 1HB MET 64 -1.731 1.813 -2.293 466 HB3 MET 64 2HB MET 64 -2.919 1.226 -1.104 467 HG2 MET 64 1HG MET 64 -2.045 -1.070 -1.404 468 HG3 MET 64 2HG MET 64 -0.823 -0.439 -2.533 469 HE1 MET 64 3HE MET 64 0.343 2.118 -1.417 470 HE2 MET 64 1HE MET 64 1.610 1.541 -0.307 471 HE3 MET 64 2HE MET 64 1.351 0.721 -1.866 472 H MET 65 H MET 65 -5.283 0.429 -1.512 473 HA MET 65 HA MET 65 -5.246 -2.501 -1.407 474 HB2 MET 65 1HB MET 65 -7.129 -0.428 -0.282 475 HB3 MET 65 2HB MET 65 -7.240 -2.178 0.024 476 HG2 MET 65 1HG MET 65 -4.974 -0.327 0.826 477 HG3 MET 65 2HG MET 65 -6.180 -1.061 1.909 478 HE1 MET 65 3HE MET 65 -6.486 -3.998 0.968 479 HE2 MET 65 1HE MET 65 -5.219 -4.826 1.906 480 HE3 MET 65 2HE MET 65 -6.196 -3.544 2.665 481 H GLU 66 H GLU 66 -6.941 -0.059 -3.217 482 HA GLU 66 HA GLU 66 -9.059 -1.742 -4.213 483 HB2 GLU 66 1HB GLU 66 -8.988 0.713 -4.426 484 HB3 GLU 66 2HB GLU 66 -7.617 0.553 -5.551 485 HG2 GLU 66 1HG GLU 66 -9.136 -0.687 -7.165 486 HG3 GLU 66 2HG GLU 66 -10.385 -0.517 -5.910 487 H ASN 67 H ASN 67 -5.722 -1.184 -5.280 488 HA ASN 67 HA ASN 67 -6.066 -3.170 -7.457 489 HB2 ASN 67 1HB ASN 67 -3.489 -1.560 -6.785 490 HB3 ASN 67 2HB ASN 67 -3.959 -2.841 -7.929 491 HD21 ASN 67 2HD2 ASN 67 -3.099 0.062 -8.153 492 HD22 ASN 67 1HD2 ASN 67 -4.274 0.765 -9.215 493 H VAL 68 H VAL 68 -4.942 -3.001 -4.192 494 HA VAL 68 HA VAL 68 -3.982 -5.849 -4.424 495 HB VAL 68 HB VAL 68 -2.878 -3.740 -2.528 496 HG11 VAL 68 1HG1 VAL 68 -1.131 -5.446 -2.138 497 HG12 VAL 68 2HG1 VAL 68 -2.746 -6.081 -1.744 498 HG13 VAL 68 3HG1 VAL 68 -1.954 -6.547 -3.268 499 HG21 VAL 68 3HG2 VAL 68 -2.269 -3.134 -4.794 500 HG22 VAL 68 1HG2 VAL 68 -0.857 -3.742 -3.901 501 HG23 VAL 68 2HG2 VAL 68 -1.669 -4.782 -5.094 502 H GLN 69 H GLN 69 -6.149 -6.437 -3.982 503 HA GLN 69 HA GLN 69 -7.396 -5.637 -1.487 504 HB2 GLN 69 1HB GLN 69 -8.638 -6.416 -3.473 505 HB3 GLN 69 2HB GLN 69 -7.908 -8.026 -3.272 506 HG2 GLN 69 1HG GLN 69 -9.255 -8.209 -0.960 507 HG3 GLN 69 2HG GLN 69 -9.566 -6.524 -1.440 508 HE21 GLN 69 2HE2 GLN 69 -11.594 -8.370 -0.803 509 HE22 GLN 69 1HE2 GLN 69 -12.518 -8.687 -2.234 Start of MODEL 5 1 H1 SER 1 1H SER 1 -16.656 0.845 4.968 2 H2 SER 1 2H SER 1 -16.577 0.378 6.392 3 H3 SER 1 3H SER 1 -15.916 1.662 5.986 4 HA SER 1 HA SER 1 -14.636 -0.948 5.930 5 HB2 SER 1 1HB SER 1 -14.866 0.327 3.271 6 HB3 SER 1 2HB SER 1 -13.846 -1.054 3.735 7 HG SER 1 HG SER 1 -15.842 -1.695 2.812 8 H GLU 2 H GLU 2 -14.502 2.464 4.868 9 HA GLU 2 HA GLU 2 -11.650 2.627 4.664 10 HB2 GLU 2 1HB GLU 2 -13.766 4.718 5.183 11 HB3 GLU 2 2HB GLU 2 -12.045 5.086 4.910 12 HG2 GLU 2 1HG GLU 2 -12.223 4.100 2.590 13 HG3 GLU 2 2HG GLU 2 -13.889 3.665 3.034 14 H GLU 3 H GLU 3 -13.830 2.954 7.397 15 HA GLU 3 HA GLU 3 -11.903 4.067 9.229 16 HB2 GLU 3 1HB GLU 3 -14.366 2.368 9.627 17 HB3 GLU 3 2HB GLU 3 -13.402 3.047 10.960 18 HG2 GLU 3 1HG GLU 3 -13.958 5.376 10.151 19 HG3 GLU 3 2HG GLU 3 -14.775 4.575 8.790 20 H GLU 4 H GLU 4 -12.643 0.767 8.220 21 HA GLU 4 HA GLU 4 -10.748 -0.398 10.135 22 HB2 GLU 4 1HB GLU 4 -12.158 -1.507 7.704 23 HB3 GLU 4 2HB GLU 4 -11.107 -2.451 8.786 24 HG2 GLU 4 1HG GLU 4 -12.732 -2.000 10.688 25 HG3 GLU 4 2HG GLU 4 -13.637 -1.031 9.505 26 H LEU 5 H LEU 5 -10.664 0.799 6.849 27 HA LEU 5 HA LEU 5 -8.080 -0.403 6.229 28 HB2 LEU 5 1HB LEU 5 -9.629 1.852 5.135 29 HB3 LEU 5 2HB LEU 5 -8.173 1.285 4.285 30 HG LEU 5 HG LEU 5 -10.767 -0.245 4.718 31 HD11 LEU 5 1HD1 LEU 5 -10.870 -0.205 2.211 32 HD12 LEU 5 2HD1 LEU 5 -10.837 1.442 2.883 33 HD13 LEU 5 3HD1 LEU 5 -9.362 0.738 2.180 34 HD21 LEU 5 3HD2 LEU 5 -8.872 -1.740 4.948 35 HD22 LEU 5 1HD2 LEU 5 -9.718 -2.062 3.416 36 HD23 LEU 5 2HD2 LEU 5 -8.186 -1.154 3.413 37 H SER 6 H SER 6 -9.160 2.521 7.802 38 HA SER 6 HA SER 6 -6.668 3.981 7.890 39 HB2 SER 6 1HB SER 6 -8.929 3.862 9.792 40 HB3 SER 6 2HB SER 6 -7.531 4.959 9.879 41 HG SER 6 HG SER 6 -9.323 5.888 8.797 42 H GLU 7 H GLU 7 -8.030 1.330 9.869 43 HA GLU 7 HA GLU 7 -5.798 1.239 11.724 44 HB2 GLU 7 1HB GLU 7 -7.929 -0.763 10.972 45 HB3 GLU 7 2HB GLU 7 -6.717 -1.023 12.249 46 HG2 GLU 7 1HG GLU 7 -7.668 0.924 13.535 47 HG3 GLU 7 2HG GLU 7 -8.720 1.192 12.126 48 H CYS 8 H CYS 8 -6.629 -0.567 8.775 49 HA CYS 8 HA CYS 8 -4.390 -2.360 8.689 50 HB2 CYS 8 1HB CYS 8 -6.093 -0.897 6.627 51 HB3 CYS 8 2HB CYS 8 -4.999 -2.249 6.246 52 HG CYS 8 HG CYS 8 -6.154 -3.953 7.782 53 H PHE 9 H PHE 9 -4.821 0.976 7.442 54 HA PHE 9 HA PHE 9 -2.283 1.325 6.244 55 HB2 PHE 9 1HB PHE 9 -4.152 2.973 6.096 56 HB3 PHE 9 2HB PHE 9 -3.887 3.399 7.802 57 HD1 PHE 9 2HD PHE 9 -1.834 4.543 8.487 58 HD2 PHE 9 1HD PHE 9 -2.763 3.802 4.383 59 HE1 PHE 9 2HE PHE 9 -0.178 6.249 7.806 60 HE2 PHE 9 1HE PHE 9 -1.105 5.504 3.698 61 HZ PHE 9 HZ PHE 9 0.187 6.728 5.411 62 H ARG 10 H ARG 10 -3.228 1.844 9.643 63 HA ARG 10 HA ARG 10 -0.611 2.732 10.472 64 HB2 ARG 10 1HB ARG 10 -2.905 1.625 12.020 65 HB3 ARG 10 2HB ARG 10 -1.379 2.190 12.737 66 HG2 ARG 10 1HG ARG 10 -1.767 4.434 11.902 67 HG3 ARG 10 2HG ARG 10 -3.231 3.894 11.045 68 HD2 ARG 10 1HD ARG 10 -4.277 3.392 13.173 69 HD3 ARG 10 2HD ARG 10 -2.816 3.957 14.018 70 HE ARG 10 HE ARG 10 -3.785 6.195 12.500 71 HH11 ARG 10 1HH1 ARG 10 -4.991 4.167 15.069 72 HH12 ARG 10 2HH1 ARG 10 -5.932 5.507 15.693 73 HH21 ARG 10 1HH2 ARG 10 -4.864 7.737 13.199 74 HH22 ARG 10 2HH2 ARG 10 -5.862 7.543 14.628 75 H ILE 11 H ILE 11 -2.105 -0.442 10.178 76 HA ILE 11 HA ILE 11 -0.008 -1.904 11.540 77 HB ILE 11 HB ILE 11 -2.012 -2.705 9.386 78 HG12 ILE 11 1HG1 ILE 11 -1.895 -3.436 12.297 79 HG13 ILE 11 2HG1 ILE 11 -2.839 -2.080 11.638 80 HG21 ILE 11 1HG2 ILE 11 -1.366 -5.038 9.885 81 HG22 ILE 11 2HG2 ILE 11 0.011 -4.118 9.235 82 HG23 ILE 11 3HG2 ILE 11 -0.091 -4.452 10.979 83 HD11 ILE 11 3HD1 ILE 11 -3.190 -5.010 10.914 84 HD12 ILE 11 1HD1 ILE 11 -4.256 -4.067 11.980 85 HD13 ILE 11 2HD1 ILE 11 -4.133 -3.655 10.253 86 H PHE 12 H PHE 12 -0.422 -0.879 8.183 87 HA PHE 12 HA PHE 12 2.018 -2.287 7.354 88 HB2 PHE 12 1HB PHE 12 0.173 -0.306 5.956 89 HB3 PHE 12 2HB PHE 12 1.612 -1.022 5.196 90 HD1 PHE 12 2HD PHE 12 1.707 -3.669 5.393 91 HD2 PHE 12 1HD PHE 12 -1.832 -1.282 5.553 92 HE1 PHE 12 2HE PHE 12 0.364 -5.617 4.677 93 HE2 PHE 12 1HE PHE 12 -3.179 -3.228 4.838 94 HZ PHE 12 HZ PHE 12 -2.081 -5.396 4.401 95 H ASP 13 H ASP 13 1.160 0.908 8.482 96 HA ASP 13 HA ASP 13 3.718 2.103 7.705 97 HB2 ASP 13 1HB ASP 13 1.515 3.437 8.102 98 HB3 ASP 13 2HB ASP 13 1.787 2.914 9.782 99 H LYS 14 H LYS 14 5.152 0.493 8.505 100 HA LYS 14 HA LYS 14 5.317 -0.177 11.297 101 HB2 LYS 14 1HB LYS 14 6.339 -1.488 9.490 102 HB3 LYS 14 2HB LYS 14 7.466 -0.148 9.171 103 HG2 LYS 14 1HG LYS 14 8.460 -0.418 11.384 104 HG3 LYS 14 2HG LYS 14 7.291 -1.700 11.775 105 HD2 LYS 14 1HD LYS 14 8.190 -3.095 9.970 106 HD3 LYS 14 2HD LYS 14 9.339 -1.808 9.536 107 HE2 LYS 14 1HE LYS 14 10.355 -1.975 11.779 108 HE3 LYS 14 2HE LYS 14 9.223 -3.284 12.184 109 HZ1 LYS 14 3HZ LYS 14 11.243 -3.368 10.035 110 HZ2 LYS 14 1HZ LYS 14 11.358 -4.137 11.489 111 HZ3 LYS 14 2HZ LYS 14 10.193 -4.584 10.411 112 H ASP 15 H ASP 15 6.811 2.385 9.358 113 HA ASP 15 HA ASP 15 8.614 3.287 11.413 114 HB2 ASP 15 1HB ASP 15 7.442 4.769 8.983 115 HB3 ASP 15 2HB ASP 15 8.590 5.353 10.213 116 H GLY 16 H GLY 16 5.284 4.179 10.584 117 HA2 GLY 16 1HA GLY 16 3.674 5.004 12.080 118 HA3 GLY 16 2HA GLY 16 4.938 5.208 13.315 119 H ASN 17 H ASN 17 5.254 6.431 10.033 120 HA ASN 17 HA ASN 17 5.478 9.181 11.157 121 HB2 ASN 17 1HB ASN 17 6.395 8.226 8.340 122 HB3 ASN 17 2HB ASN 17 6.253 9.782 9.193 123 HD21 ASN 17 2HD2 ASN 17 8.525 8.028 8.146 124 HD22 ASN 17 1HD2 ASN 17 9.646 7.982 9.466 125 H GLY 18 H GLY 18 3.158 7.251 9.722 126 HA2 GLY 18 1HA GLY 18 0.944 8.018 9.280 127 HA3 GLY 18 2HA GLY 18 1.576 9.657 9.005 128 H PHE 19 H PHE 19 3.591 7.462 7.498 129 HA PHE 19 HA PHE 19 1.999 7.405 4.968 130 HB2 PHE 19 1HB PHE 19 4.863 8.406 5.272 131 HB3 PHE 19 2HB PHE 19 4.086 8.028 3.718 132 HD1 PHE 19 2HD PHE 19 2.243 9.394 2.886 133 HD2 PHE 19 1HD PHE 19 4.388 10.404 6.441 134 HE1 PHE 19 2HE PHE 19 1.357 11.699 2.763 135 HE2 PHE 19 1HE PHE 19 3.502 12.710 6.322 136 HZ PHE 19 HZ PHE 19 1.986 13.357 4.483 137 H ILE 20 H ILE 20 2.360 5.723 3.609 138 HA ILE 20 HA ILE 20 4.200 3.578 4.638 139 HB ILE 20 HB ILE 20 1.800 3.393 2.758 140 HG12 ILE 20 1HG1 ILE 20 2.130 2.288 5.532 141 HG13 ILE 20 2HG1 ILE 20 1.295 3.809 5.142 142 HG21 ILE 20 1HG2 ILE 20 2.174 0.954 2.895 143 HG22 ILE 20 2HG2 ILE 20 3.585 1.779 2.195 144 HG23 ILE 20 3HG2 ILE 20 3.625 1.231 3.888 145 HD11 ILE 20 3HD1 ILE 20 0.513 1.046 4.150 146 HD12 ILE 20 1HD1 ILE 20 -0.310 1.963 5.432 147 HD13 ILE 20 2HD1 ILE 20 -0.321 2.567 3.758 148 H ASP 21 H ASP 21 6.018 3.296 3.721 149 HA ASP 21 HA ASP 21 6.496 4.519 1.063 150 HB2 ASP 21 1HB ASP 21 8.873 4.208 1.567 151 HB3 ASP 21 2HB ASP 21 7.935 4.796 2.962 152 H ARG 22 H ARG 22 8.374 3.028 -0.077 153 HA ARG 22 HA ARG 22 6.685 1.156 -1.471 154 HB2 ARG 22 1HB ARG 22 8.453 2.437 -2.523 155 HB3 ARG 22 2HB ARG 22 9.650 1.445 -1.657 156 HG2 ARG 22 1HG ARG 22 8.776 -0.568 -2.790 157 HG3 ARG 22 2HG ARG 22 7.621 0.451 -3.682 158 HD2 ARG 22 1HD ARG 22 9.420 -0.072 -5.106 159 HD3 ARG 22 2HD ARG 22 9.539 1.647 -4.662 160 HE ARG 22 HE ARG 22 11.686 1.099 -3.576 161 HH11 ARG 22 1HH1 ARG 22 9.985 -1.841 -4.368 162 HH12 ARG 22 2HH1 ARG 22 11.430 -2.775 -4.032 163 HH21 ARG 22 1HH2 ARG 22 13.346 0.043 -3.179 164 HH22 ARG 22 2HH2 ARG 22 13.348 -1.702 -3.354 165 H GLU 23 H GLU 23 9.272 0.744 0.919 166 HA GLU 23 HA GLU 23 9.456 -2.117 0.617 167 HB2 GLU 23 1HB GLU 23 10.174 -0.241 2.871 168 HB3 GLU 23 2HB GLU 23 10.509 -1.989 2.890 169 HG2 GLU 23 1HG GLU 23 12.012 -1.703 0.879 170 HG3 GLU 23 2HG GLU 23 11.492 -0.003 0.885 171 H GLU 24 H GLU 24 7.575 -0.046 2.804 172 HA GLU 24 HA GLU 24 6.335 -2.344 4.131 173 HB2 GLU 24 1HB GLU 24 5.684 0.606 4.076 174 HB3 GLU 24 2HB GLU 24 4.810 -0.603 5.047 175 HG2 GLU 24 1HG GLU 24 7.747 0.240 5.406 176 HG3 GLU 24 2HG GLU 24 6.316 0.542 6.419 177 H PHE 25 H PHE 25 5.618 -0.303 1.374 178 HA PHE 25 HA PHE 25 2.872 -1.050 1.037 179 HB2 PHE 25 1HB PHE 25 4.001 0.818 -0.199 180 HB3 PHE 25 2HB PHE 25 4.915 -0.392 -1.128 181 HD1 PHE 25 1HD PHE 25 1.568 1.000 -0.467 182 HD2 PHE 25 2HD PHE 25 3.947 -1.559 -2.924 183 HE1 PHE 25 1HE PHE 25 -0.267 0.884 -2.120 184 HE2 PHE 25 2HE PHE 25 2.115 -1.676 -4.580 185 HZ PHE 25 HZ PHE 25 0.007 -0.455 -4.177 186 H GLY 26 H GLY 26 5.878 -2.674 0.197 187 HA2 GLY 26 1HA GLY 26 4.964 -4.554 -1.658 188 HA3 GLY 26 2HA GLY 26 6.247 -4.861 -0.465 189 H ASP 27 H ASP 27 4.603 -4.530 1.869 190 HA ASP 27 HA ASP 27 3.554 -7.212 2.093 191 HB2 ASP 27 1HB ASP 27 3.287 -4.780 3.961 192 HB3 ASP 27 2HB ASP 27 2.628 -6.424 4.153 193 H ILE 28 H ILE 28 2.107 -4.095 1.365 194 HA ILE 28 HA ILE 28 -0.633 -4.852 1.857 195 HB ILE 28 HB ILE 28 0.589 -2.781 -0.023 196 HG12 ILE 28 1HG1 ILE 28 -0.816 -2.397 2.604 197 HG13 ILE 28 2HG1 ILE 28 0.949 -2.536 2.424 198 HG21 ILE 28 1HG2 ILE 28 -1.685 -1.819 -0.138 199 HG22 ILE 28 2HG2 ILE 28 -1.655 -3.469 -0.801 200 HG23 ILE 28 3HG2 ILE 28 -2.309 -3.177 0.827 201 HD11 ILE 28 3HD1 ILE 28 -0.807 -0.406 1.153 202 HD12 ILE 28 1HD1 ILE 28 0.251 -0.177 2.564 203 HD13 ILE 28 2HD1 ILE 28 0.958 -0.545 0.972 204 H ILE 29 H ILE 29 1.371 -5.047 -1.063 205 HA ILE 29 HA ILE 29 -0.908 -6.266 -2.533 206 HB ILE 29 HB ILE 29 1.956 -5.681 -3.413 207 HG12 ILE 29 1HG1 ILE 29 0.877 -3.644 -2.891 208 HG13 ILE 29 2HG1 ILE 29 0.997 -3.823 -4.656 209 HG21 ILE 29 1HG2 ILE 29 1.055 -6.013 -5.691 210 HG22 ILE 29 2HG2 ILE 29 0.863 -7.482 -4.707 211 HG23 ILE 29 3HG2 ILE 29 -0.535 -6.422 -5.003 212 HD11 ILE 29 3HD1 ILE 29 -1.493 -4.308 -2.984 213 HD12 ILE 29 1HD1 ILE 29 -1.185 -2.884 -4.004 214 HD13 ILE 29 2HD1 ILE 29 -1.373 -4.489 -4.751 215 H ARG 30 H ARG 30 2.050 -7.221 -0.955 216 HA ARG 30 HA ARG 30 2.454 -9.751 -2.136 217 HB2 ARG 30 1HB ARG 30 4.001 -8.779 -0.612 218 HB3 ARG 30 2HB ARG 30 2.840 -8.976 0.721 219 HG2 ARG 30 1HG ARG 30 2.965 -11.391 0.530 220 HG3 ARG 30 2HG ARG 30 4.021 -11.254 -0.896 221 HD2 ARG 30 1HD ARG 30 5.774 -10.345 0.428 222 HD3 ARG 30 2HD ARG 30 4.718 -10.293 1.859 223 HE ARG 30 HE ARG 30 5.014 -13.066 1.032 224 HH11 ARG 30 1HH1 ARG 30 6.918 -10.499 2.425 225 HH12 ARG 30 2HH1 ARG 30 7.902 -11.678 3.269 226 HH21 ARG 30 1HH2 ARG 30 6.137 -14.430 1.984 227 HH22 ARG 30 2HH2 ARG 30 7.459 -13.921 3.017 228 H LEU 31 H LEU 31 0.032 -8.742 0.208 229 HA LEU 31 HA LEU 31 -0.800 -11.349 1.032 230 HB2 LEU 31 1HB LEU 31 -2.149 -8.754 0.725 231 HB3 LEU 31 2HB LEU 31 -3.032 -10.080 1.516 232 HG LEU 31 HG LEU 31 -0.440 -8.822 2.495 233 HD11 LEU 31 1HD1 LEU 31 -1.859 -7.952 4.372 234 HD12 LEU 31 2HD1 LEU 31 -2.417 -7.335 2.800 235 HD13 LEU 31 3HD1 LEU 31 -3.294 -8.664 3.597 236 HD21 LEU 31 3HD2 LEU 31 -0.572 -11.179 3.045 237 HD22 LEU 31 1HD2 LEU 31 -0.786 -10.200 4.516 238 HD23 LEU 31 2HD2 LEU 31 -2.197 -10.957 3.736 239 H THR 32 H THR 32 -1.579 -9.434 -1.811 240 HA THR 32 HA THR 32 -3.231 -11.740 -2.790 241 HB THR 32 HB THR 32 -4.622 -10.108 -4.030 242 HG1 THR 32 1HG THR 32 -3.058 -8.402 -4.091 243 HG21 THR 32 1HG2 THR 32 -5.860 -9.191 -2.099 244 HG22 THR 32 2HG2 THR 32 -5.365 -10.875 -1.801 245 HG23 THR 32 3HG2 THR 32 -4.470 -9.537 -1.043 246 H GLY 33 H GLY 33 -0.337 -10.629 -3.104 247 HA2 GLY 33 1HA GLY 33 -0.370 -10.367 -6.078 248 HA3 GLY 33 2HA GLY 33 0.942 -9.833 -5.002 249 H GLU 34 H GLU 34 -0.811 -12.927 -4.939 250 HA GLU 34 HA GLU 34 1.594 -14.468 -4.648 251 HB2 GLU 34 1HB GLU 34 -1.214 -15.212 -5.473 252 HB3 GLU 34 2HB GLU 34 0.092 -16.393 -5.207 253 HG2 GLU 34 1HG GLU 34 0.222 -15.681 -2.789 254 HG3 GLU 34 2HG GLU 34 -0.980 -14.440 -3.213 255 H GLN 35 H GLN 35 -0.229 -13.433 -7.462 256 HA GLN 35 HA GLN 35 1.537 -15.100 -9.199 257 HB2 GLN 35 1HB GLN 35 -0.925 -13.476 -9.872 258 HB3 GLN 35 2HB GLN 35 -0.023 -14.537 -10.978 259 HG2 GLN 35 1HG GLN 35 -1.796 -15.588 -8.605 260 HG3 GLN 35 2HG GLN 35 -1.907 -15.483 -10.379 261 HE21 GLN 35 2HE2 GLN 35 -1.124 -17.449 -7.804 262 HE22 GLN 35 1HE2 GLN 35 -0.136 -18.612 -8.625 263 H LEU 36 H LEU 36 1.879 -12.301 -7.747 264 HA LEU 36 HA LEU 36 2.781 -10.818 -10.188 265 HB2 LEU 36 1HB LEU 36 2.205 -9.978 -7.421 266 HB3 LEU 36 2HB LEU 36 2.704 -8.790 -8.646 267 HG LEU 36 HG LEU 36 0.122 -10.398 -8.592 268 HD11 LEU 36 1HD1 LEU 36 -0.947 -8.137 -8.396 269 HD12 LEU 36 2HD1 LEU 36 0.165 -8.446 -7.041 270 HD13 LEU 36 3HD1 LEU 36 0.668 -7.391 -8.384 271 HD21 LEU 36 3HD2 LEU 36 0.932 -10.184 -10.867 272 HD22 LEU 36 1HD2 LEU 36 -0.495 -9.147 -10.632 273 HD23 LEU 36 2HD2 LEU 36 1.133 -8.427 -10.662 274 H THR 37 H THR 37 4.779 -9.896 -10.322 275 HA THR 37 HA THR 37 6.842 -11.121 -8.575 276 HB THR 37 HB THR 37 8.458 -10.224 -10.143 277 HG1 THR 37 1HG THR 37 7.553 -8.979 -11.986 278 HG21 THR 37 1HG2 THR 37 7.709 -11.274 -12.249 279 HG22 THR 37 2HG2 THR 37 7.283 -12.282 -10.844 280 HG23 THR 37 3HG2 THR 37 6.036 -11.297 -11.643 281 H ASP 38 H ASP 38 8.714 -9.689 -7.966 282 HA ASP 38 HA ASP 38 7.841 -7.593 -6.214 283 HB2 ASP 38 1HB ASP 38 10.642 -8.233 -7.318 284 HB3 ASP 38 2HB ASP 38 10.145 -6.953 -6.183 285 H GLU 39 H GLU 39 9.008 -7.562 -9.546 286 HA GLU 39 HA GLU 39 9.131 -4.671 -9.745 287 HB2 GLU 39 1HB GLU 39 8.854 -6.869 -11.796 288 HB3 GLU 39 2HB GLU 39 9.010 -5.142 -12.200 289 HG2 GLU 39 1HG GLU 39 11.296 -5.116 -11.126 290 HG3 GLU 39 2HG GLU 39 10.964 -6.800 -10.661 291 H ASP 40 H ASP 40 6.616 -7.084 -10.401 292 HA ASP 40 HA ASP 40 4.661 -5.295 -11.461 293 HB2 ASP 40 1HB ASP 40 4.280 -7.861 -9.802 294 HB3 ASP 40 2HB ASP 40 3.062 -6.812 -10.567 295 H VAL 41 H VAL 41 5.424 -6.163 -8.098 296 HA VAL 41 HA VAL 41 3.334 -4.525 -6.922 297 HB VAL 41 HB VAL 41 5.991 -5.514 -5.808 298 HG11 VAL 41 1HG1 VAL 41 5.033 -4.955 -3.599 299 HG12 VAL 41 2HG1 VAL 41 5.195 -3.502 -4.613 300 HG13 VAL 41 3HG1 VAL 41 3.600 -4.264 -4.396 301 HG21 VAL 41 3HG2 VAL 41 4.479 -7.313 -6.396 302 HG22 VAL 41 1HG2 VAL 41 4.620 -7.158 -4.630 303 HG23 VAL 41 2HG2 VAL 41 3.172 -6.545 -5.463 304 H ASP 42 H ASP 42 6.703 -3.872 -7.793 305 HA ASP 42 HA ASP 42 6.756 -1.223 -6.670 306 HB2 ASP 42 1HB ASP 42 8.407 -2.479 -8.942 307 HB3 ASP 42 2HB ASP 42 8.492 -0.830 -8.277 308 H GLU 43 H GLU 43 5.744 -2.472 -9.822 309 HA GLU 43 HA GLU 43 5.225 0.125 -10.986 310 HB2 GLU 43 1HB GLU 43 4.177 -2.648 -11.541 311 HB3 GLU 43 2HB GLU 43 3.693 -1.214 -12.477 312 HG2 GLU 43 1HG GLU 43 6.087 -0.900 -13.208 313 HG3 GLU 43 2HG GLU 43 6.473 -2.251 -12.118 314 H ILE 44 H ILE 44 3.238 -2.156 -9.126 315 HA ILE 44 HA ILE 44 0.818 -0.573 -9.237 316 HB ILE 44 HB ILE 44 1.842 -2.608 -7.208 317 HG12 ILE 44 1HG1 ILE 44 -0.348 -2.862 -9.245 318 HG13 ILE 44 2HG1 ILE 44 1.339 -3.344 -9.531 319 HG21 ILE 44 1HG2 ILE 44 -0.469 -2.635 -6.331 320 HG22 ILE 44 2HG2 ILE 44 0.271 -1.028 -6.135 321 HG23 ILE 44 3HG2 ILE 44 -0.904 -1.312 -7.440 322 HD11 ILE 44 3HD1 ILE 44 -0.489 -4.469 -7.381 323 HD12 ILE 44 1HD1 ILE 44 -0.042 -5.283 -8.898 324 HD13 ILE 44 2HD1 ILE 44 1.200 -4.949 -7.667 325 H PHE 45 H PHE 45 3.560 -0.581 -6.996 326 HA PHE 45 HA PHE 45 2.555 1.394 -5.205 327 HB2 PHE 45 1HB PHE 45 4.596 0.166 -4.684 328 HB3 PHE 45 2HB PHE 45 5.404 0.823 -6.126 329 HD1 PHE 45 1HD PHE 45 3.918 1.765 -2.859 330 HD2 PHE 45 2HD PHE 45 6.567 2.820 -6.042 331 HE1 PHE 45 1HE PHE 45 4.779 3.652 -1.515 332 HE2 PHE 45 2HE PHE 45 7.432 4.706 -4.698 333 HZ PHE 45 HZ PHE 45 6.537 5.123 -2.435 334 H GLY 46 H GLY 46 4.455 1.801 -8.201 335 HA2 GLY 46 1HA GLY 46 4.560 4.643 -8.099 336 HA3 GLY 46 2HA GLY 46 4.715 3.649 -9.565 337 H ASP 47 H ASP 47 2.143 2.399 -9.409 338 HA ASP 47 HA ASP 47 0.531 4.444 -10.686 339 HB2 ASP 47 1HB ASP 47 -0.151 1.573 -9.814 340 HB3 ASP 47 2HB ASP 47 -1.200 2.793 -10.578 341 H SER 48 H SER 48 0.531 2.948 -7.480 342 HA SER 48 HA SER 48 -1.950 4.242 -6.573 343 HB2 SER 48 1HB SER 48 -1.501 3.381 -4.511 344 HB3 SER 48 2HB SER 48 -1.198 2.140 -5.749 345 HG SER 48 HG SER 48 0.428 2.209 -4.135 346 H ASP 49 H ASP 49 1.463 5.071 -6.749 347 HA ASP 49 HA ASP 49 1.251 7.296 -4.844 348 HB2 ASP 49 1HB ASP 49 3.454 5.994 -5.377 349 HB3 ASP 49 2HB ASP 49 3.244 6.791 -6.956 350 H THR 50 H THR 50 -0.663 8.247 -5.800 351 HA THR 50 HA THR 50 -0.473 9.373 -8.493 352 HB THR 50 HB THR 50 -2.646 10.386 -8.005 353 HG1 THR 50 1HG THR 50 -1.871 9.813 -5.374 354 HG21 THR 50 1HG2 THR 50 -3.940 8.348 -7.480 355 HG22 THR 50 2HG2 THR 50 -2.611 7.990 -8.609 356 HG23 THR 50 3HG2 THR 50 -2.458 7.560 -6.889 357 H ASP 51 H ASP 51 0.246 10.454 -5.261 358 HA ASP 51 HA ASP 51 0.519 13.268 -6.069 359 HB2 ASP 51 1HB ASP 51 1.355 11.785 -3.504 360 HB3 ASP 51 2HB ASP 51 1.648 13.479 -3.972 361 H LYS 52 H LYS 52 2.358 10.452 -6.454 362 HA LYS 52 HA LYS 52 4.540 10.103 -7.181 363 HB2 LYS 52 1HB LYS 52 4.197 12.946 -8.146 364 HB3 LYS 52 2HB LYS 52 5.474 11.817 -8.655 365 HG2 LYS 52 1HG LYS 52 3.778 10.331 -9.637 366 HG3 LYS 52 2HG LYS 52 2.495 11.449 -9.118 367 HD2 LYS 52 1HD LYS 52 3.500 13.227 -10.520 368 HD3 LYS 52 2HD LYS 52 4.738 12.072 -11.069 369 HE2 LYS 52 1HE LYS 52 3.027 10.656 -12.063 370 HE3 LYS 52 2HE LYS 52 1.748 11.725 -11.444 371 HZ1 LYS 52 3HZ LYS 52 3.809 12.481 -13.414 372 HZ2 LYS 52 1HZ LYS 52 2.227 12.160 -13.755 373 HZ3 LYS 52 2HZ LYS 52 2.623 13.474 -12.839 374 H ASN 53 H ASN 53 4.468 10.586 -4.543 375 HA ASN 53 HA ASN 53 6.760 12.475 -4.092 376 HB2 ASN 53 1HB ASN 53 5.673 13.239 -1.954 377 HB3 ASN 53 2HB ASN 53 4.695 13.171 -3.439 378 HD21 ASN 53 2HD2 ASN 53 3.472 13.390 -1.040 379 HD22 ASN 53 1HD2 ASN 53 2.655 11.915 -0.644 380 H GLY 54 H GLY 54 5.948 9.316 -4.234 381 HA2 GLY 54 1HA GLY 54 7.336 7.514 -3.704 382 HA3 GLY 54 2HA GLY 54 8.369 8.608 -2.755 383 H ARG 55 H ARG 55 5.094 8.964 -1.974 384 HA ARG 55 HA ARG 55 5.233 6.947 0.226 385 HB2 ARG 55 1HB ARG 55 4.672 9.852 0.609 386 HB3 ARG 55 2HB ARG 55 4.349 8.569 1.798 387 HG2 ARG 55 1HG ARG 55 7.090 9.187 0.659 388 HG3 ARG 55 2HG ARG 55 6.472 9.854 2.190 389 HD2 ARG 55 1HD ARG 55 6.226 7.567 3.031 390 HD3 ARG 55 2HD ARG 55 6.969 6.970 1.529 391 HE ARG 55 HE ARG 55 8.496 8.232 3.757 392 HH11 ARG 55 1HH1 ARG 55 8.536 7.177 0.433 393 HH12 ARG 55 2HH1 ARG 55 10.290 7.182 0.447 394 HH21 ARG 55 1HH2 ARG 55 10.503 8.235 3.790 395 HH22 ARG 55 2HH2 ARG 55 11.411 7.783 2.361 396 H ILE 56 H ILE 56 3.389 5.986 0.757 397 HA ILE 56 HA ILE 56 0.910 6.871 -0.679 398 HB ILE 56 HB ILE 56 1.466 4.287 0.848 399 HG12 ILE 56 1HG1 ILE 56 2.896 4.395 -1.052 400 HG13 ILE 56 2HG1 ILE 56 1.600 3.205 -1.308 401 HG21 ILE 56 1HG2 ILE 56 -0.593 3.502 -0.272 402 HG22 ILE 56 2HG2 ILE 56 -0.919 4.927 0.741 403 HG23 ILE 56 3HG2 ILE 56 -0.793 5.101 -1.026 404 HD11 ILE 56 3HD1 ILE 56 1.696 6.008 -2.476 405 HD12 ILE 56 1HD1 ILE 56 2.033 4.501 -3.357 406 HD13 ILE 56 2HD1 ILE 56 0.398 4.817 -2.731 407 H ASP 57 H ASP 57 -0.408 8.137 0.265 408 HA ASP 57 HA ASP 57 -0.515 8.175 3.239 409 HB2 ASP 57 1HB ASP 57 -1.699 10.310 2.984 410 HB3 ASP 57 2HB ASP 57 -0.274 10.156 1.925 411 H PHE 58 H PHE 58 -3.008 8.945 3.794 412 HA PHE 58 HA PHE 58 -4.265 6.369 3.969 413 HB2 PHE 58 1HB PHE 58 -5.068 9.192 4.696 414 HB3 PHE 58 2HB PHE 58 -6.261 7.875 4.772 415 HD1 PHE 58 2HD PHE 58 -5.987 6.039 6.342 416 HD2 PHE 58 1HD PHE 58 -3.307 9.365 6.272 417 HE1 PHE 58 2HE PHE 58 -5.171 5.425 8.594 418 HE2 PHE 58 1HE PHE 58 -2.486 8.753 8.522 419 HZ PHE 58 HZ PHE 58 -3.417 6.783 9.683 420 H ASP 59 H ASP 59 -4.856 9.162 1.873 421 HA ASP 59 HA ASP 59 -7.323 8.141 0.772 422 HB2 ASP 59 1HB ASP 59 -5.345 10.234 -0.318 423 HB3 ASP 59 2HB ASP 59 -6.871 9.650 -1.026 424 H GLU 60 H GLU 60 -3.959 8.073 -0.413 425 HA GLU 60 HA GLU 60 -4.617 6.607 -2.816 426 HB2 GLU 60 1HB GLU 60 -2.052 6.996 -1.274 427 HB3 GLU 60 2HB GLU 60 -2.158 6.100 -2.809 428 HG2 GLU 60 1HG GLU 60 -2.887 8.195 -3.985 429 HG3 GLU 60 2HG GLU 60 -2.951 8.948 -2.375 430 H PHE 61 H PHE 61 -3.672 5.638 0.448 431 HA PHE 61 HA PHE 61 -3.409 2.830 -0.099 432 HB2 PHE 61 1HB PHE 61 -2.619 3.831 2.013 433 HB3 PHE 61 2HB PHE 61 -4.290 4.255 2.449 434 HD1 PHE 61 1HD PHE 61 -1.959 1.447 1.871 435 HD2 PHE 61 2HD PHE 61 -5.723 2.707 3.449 436 HE1 PHE 61 1HE PHE 61 -2.219 -0.741 2.992 437 HE2 PHE 61 2HE PHE 61 -5.985 0.522 4.576 438 HZ PHE 61 HZ PHE 61 -4.233 -1.203 4.345 439 H LEU 62 H LEU 62 -6.212 4.750 0.996 440 HA LEU 62 HA LEU 62 -8.045 2.570 1.110 441 HB2 LEU 62 1HB LEU 62 -8.048 5.429 0.959 442 HB3 LEU 62 2HB LEU 62 -9.602 4.777 0.388 443 HG LEU 62 HG LEU 62 -10.076 3.781 2.493 444 HD11 LEU 62 1HD1 LEU 62 -8.422 3.782 4.380 445 HD12 LEU 62 2HD1 LEU 62 -7.788 2.910 2.965 446 HD13 LEU 62 3HD1 LEU 62 -7.231 4.564 3.315 447 HD21 LEU 62 3HD2 LEU 62 -10.497 6.168 2.421 448 HD22 LEU 62 1HD2 LEU 62 -10.002 5.689 4.062 449 HD23 LEU 62 2HD2 LEU 62 -8.843 6.507 2.985 450 H LYS 63 H LYS 63 -7.056 4.633 -1.589 451 HA LYS 63 HA LYS 63 -8.987 3.520 -3.449 452 HB2 LYS 63 1HB LYS 63 -6.384 5.005 -3.814 453 HB3 LYS 63 2HB LYS 63 -7.436 4.499 -5.158 454 HG2 LYS 63 1HG LYS 63 -9.247 5.899 -4.301 455 HG3 LYS 63 2HG LYS 63 -8.250 6.364 -2.902 456 HD2 LYS 63 1HD LYS 63 -6.594 7.374 -4.453 457 HD3 LYS 63 2HD LYS 63 -7.659 6.967 -5.819 458 HE2 LYS 63 1HE LYS 63 -9.426 8.376 -4.885 459 HE3 LYS 63 2HE LYS 63 -8.400 8.755 -3.484 460 HZ1 LYS 63 3HZ LYS 63 -7.802 9.458 -6.285 461 HZ2 LYS 63 1HZ LYS 63 -8.339 10.503 -5.128 462 HZ3 LYS 63 2HZ LYS 63 -6.850 9.810 -4.985 463 H MET 64 H MET 64 -5.651 2.729 -2.574 464 HA MET 64 HA MET 64 -5.279 0.722 -4.613 465 HB2 MET 64 1HB MET 64 -3.483 1.790 -3.293 466 HB3 MET 64 2HB MET 64 -4.065 0.916 -1.855 467 HG2 MET 64 1HG MET 64 -2.201 -0.309 -2.671 468 HG3 MET 64 2HG MET 64 -3.654 -1.228 -3.127 469 HE1 MET 64 3HE MET 64 -4.684 -1.225 -5.594 470 HE2 MET 64 1HE MET 64 -3.444 -1.622 -6.808 471 HE3 MET 64 2HE MET 64 -3.472 -2.484 -5.250 472 H MET 65 H MET 65 -6.590 0.602 -1.319 473 HA MET 65 HA MET 65 -6.583 -2.280 -1.160 474 HB2 MET 65 1HB MET 65 -8.113 -0.139 0.310 475 HB3 MET 65 2HB MET 65 -8.220 -1.873 0.695 476 HG2 MET 65 1HG MET 65 -5.714 -0.165 0.816 477 HG3 MET 65 2HG MET 65 -6.683 -0.691 2.212 478 HE1 MET 65 3HE MET 65 -7.456 -3.645 1.600 479 HE2 MET 65 1HE MET 65 -6.087 -4.537 2.306 480 HE3 MET 65 2HE MET 65 -6.757 -3.120 3.151 481 H GLU 66 H GLU 66 -8.714 -0.003 -2.662 482 HA GLU 66 HA GLU 66 -11.055 -1.663 -2.827 483 HB2 GLU 66 1HB GLU 66 -9.948 0.515 -4.598 484 HB3 GLU 66 2HB GLU 66 -11.505 -0.295 -4.894 485 HG2 GLU 66 1HG GLU 66 -12.345 0.568 -2.665 486 HG3 GLU 66 2HG GLU 66 -10.711 1.236 -2.451 487 H ASN 67 H ASN 67 -8.013 -1.693 -4.535 488 HA ASN 67 HA ASN 67 -9.095 -3.709 -6.457 489 HB2 ASN 67 1HB ASN 67 -6.327 -2.294 -6.610 490 HB3 ASN 67 2HB ASN 67 -7.148 -3.627 -7.459 491 HD21 ASN 67 2HD2 ASN 67 -6.202 -0.797 -8.141 492 HD22 ASN 67 1HD2 ASN 67 -7.553 -0.109 -8.980 493 H VAL 68 H VAL 68 -8.028 -3.775 -3.418 494 HA VAL 68 HA VAL 68 -6.372 -6.258 -3.777 495 HB VAL 68 HB VAL 68 -6.885 -4.527 -1.322 496 HG11 VAL 68 1HG1 VAL 68 -5.171 -5.954 -0.253 497 HG12 VAL 68 2HG1 VAL 68 -6.579 -6.916 -0.763 498 HG13 VAL 68 3HG1 VAL 68 -5.082 -6.949 -1.725 499 HG21 VAL 68 3HG2 VAL 68 -5.455 -3.416 -2.931 500 HG22 VAL 68 1HG2 VAL 68 -4.522 -3.931 -1.506 501 HG23 VAL 68 2HG2 VAL 68 -4.409 -4.853 -3.024 502 H GLN 69 H GLN 69 -7.180 -8.145 -3.608 503 HA GLN 69 HA GLN 69 -9.948 -8.595 -3.040 504 HB2 GLN 69 1HB GLN 69 -8.481 -10.082 -4.375 505 HB3 GLN 69 2HB GLN 69 -7.627 -10.530 -2.878 506 HG2 GLN 69 1HG GLN 69 -9.952 -11.610 -2.051 507 HG3 GLN 69 2HG GLN 69 -10.412 -10.842 -3.588 508 HE21 GLN 69 2HE2 GLN 69 -10.958 -13.508 -3.106 509 HE22 GLN 69 1HE2 GLN 69 -9.963 -14.497 -4.122 Start of MODEL 6 1 H1 SER 1 1H SER 1 -16.423 0.291 4.484 2 H2 SER 1 2H SER 1 -16.599 -0.207 5.888 3 H3 SER 1 3H SER 1 -15.986 1.140 5.640 4 HA SER 1 HA SER 1 -14.493 -1.348 5.828 5 HB2 SER 1 1HB SER 1 -14.287 -0.026 3.191 6 HB3 SER 1 2HB SER 1 -13.260 -1.323 3.844 7 HG SER 1 HG SER 1 -14.950 -2.119 2.525 8 H GLU 2 H GLU 2 -14.440 2.086 4.830 9 HA GLU 2 HA GLU 2 -11.683 2.594 5.157 10 HB2 GLU 2 1HB GLU 2 -13.271 4.153 4.149 11 HB3 GLU 2 2HB GLU 2 -14.028 4.411 5.740 12 HG2 GLU 2 1HG GLU 2 -11.841 5.424 6.563 13 HG3 GLU 2 2HG GLU 2 -11.222 5.055 4.937 14 H GLU 3 H GLU 3 -14.250 2.547 7.596 15 HA GLU 3 HA GLU 3 -12.677 3.667 9.722 16 HB2 GLU 3 1HB GLU 3 -15.055 1.806 9.706 17 HB3 GLU 3 2HB GLU 3 -14.338 2.490 11.185 18 HG2 GLU 3 1HG GLU 3 -14.925 4.809 10.379 19 HG3 GLU 3 2HG GLU 3 -15.478 4.019 8.884 20 H GLU 4 H GLU 4 -13.048 0.367 8.522 21 HA GLU 4 HA GLU 4 -11.366 -0.745 10.660 22 HB2 GLU 4 1HB GLU 4 -12.376 -1.861 8.040 23 HB3 GLU 4 2HB GLU 4 -11.415 -2.774 9.228 24 HG2 GLU 4 1HG GLU 4 -13.292 -2.486 10.914 25 HG3 GLU 4 2HG GLU 4 -14.098 -1.526 9.652 26 H LEU 5 H LEU 5 -10.934 0.432 7.373 27 HA LEU 5 HA LEU 5 -8.243 -0.676 7.125 28 HB2 LEU 5 1HB LEU 5 -9.791 1.379 5.694 29 HB3 LEU 5 2HB LEU 5 -8.207 0.879 5.059 30 HG LEU 5 HG LEU 5 -10.718 -0.820 5.304 31 HD11 LEU 5 1HD1 LEU 5 -10.504 -0.970 2.808 32 HD12 LEU 5 2HD1 LEU 5 -10.669 0.719 3.343 33 HD13 LEU 5 3HD1 LEU 5 -9.072 0.083 2.884 34 HD21 LEU 5 3HD2 LEU 5 -8.769 -2.143 5.882 35 HD22 LEU 5 1HD2 LEU 5 -9.390 -2.640 4.290 36 HD23 LEU 5 2HD2 LEU 5 -7.936 -1.617 4.400 37 H SER 6 H SER 6 -9.613 2.173 8.517 38 HA SER 6 HA SER 6 -7.323 3.891 8.709 39 HB2 SER 6 1HB SER 6 -9.537 3.404 10.609 40 HB3 SER 6 2HB SER 6 -8.289 4.665 10.740 41 HG SER 6 HG SER 6 -10.193 5.403 9.702 42 H GLU 7 H GLU 7 -8.319 1.005 10.573 43 HA GLU 7 HA GLU 7 -6.052 1.191 12.413 44 HB2 GLU 7 1HB GLU 7 -8.036 -1.003 11.801 45 HB3 GLU 7 2HB GLU 7 -6.779 -1.101 13.059 46 HG2 GLU 7 1HG GLU 7 -7.868 0.848 14.257 47 HG3 GLU 7 2HG GLU 7 -8.995 0.899 12.882 48 H CYS 8 H CYS 8 -6.818 -0.682 9.500 49 HA CYS 8 HA CYS 8 -4.509 -2.383 9.405 50 HB2 CYS 8 1HB CYS 8 -6.253 -0.983 7.332 51 HB3 CYS 8 2HB CYS 8 -5.133 -2.321 6.975 52 HG CYS 8 HG CYS 8 -6.263 -4.022 8.534 53 H PHE 9 H PHE 9 -5.074 0.938 8.168 54 HA PHE 9 HA PHE 9 -2.525 1.375 6.998 55 HB2 PHE 9 1HB PHE 9 -4.431 2.937 6.731 56 HB3 PHE 9 2HB PHE 9 -4.310 3.376 8.450 57 HD1 PHE 9 1HD PHE 9 -2.638 3.562 5.170 58 HD2 PHE 9 2HD PHE 9 -2.716 4.920 9.220 59 HE1 PHE 9 1HE PHE 9 -1.037 5.357 4.597 60 HE2 PHE 9 2HE PHE 9 -1.118 6.717 8.650 61 HZ PHE 9 HZ PHE 9 -0.277 6.935 6.338 62 H ARG 10 H ARG 10 -3.588 1.877 10.360 63 HA ARG 10 HA ARG 10 -1.047 2.882 11.276 64 HB2 ARG 10 1HB ARG 10 -3.312 1.619 12.745 65 HB3 ARG 10 2HB ARG 10 -1.841 2.262 13.510 66 HG2 ARG 10 1HG ARG 10 -2.340 4.492 12.706 67 HG3 ARG 10 2HG ARG 10 -3.741 3.884 11.791 68 HD2 ARG 10 1HD ARG 10 -4.820 3.273 13.877 69 HD3 ARG 10 2HD ARG 10 -3.428 3.922 14.776 70 HE ARG 10 HE ARG 10 -4.501 6.110 13.251 71 HH11 ARG 10 1HH1 ARG 10 -5.629 3.978 15.770 72 HH12 ARG 10 2HH1 ARG 10 -6.672 5.246 16.384 73 HH21 ARG 10 1HH2 ARG 10 -5.697 7.568 13.937 74 HH22 ARG 10 2HH2 ARG 10 -6.713 7.294 15.338 75 H ILE 11 H ILE 11 -2.363 -0.367 10.912 76 HA ILE 11 HA ILE 11 -0.185 -1.712 12.286 77 HB ILE 11 HB ILE 11 -2.165 -2.636 10.157 78 HG12 ILE 11 1HG1 ILE 11 -2.000 -3.341 13.071 79 HG13 ILE 11 2HG1 ILE 11 -2.995 -2.018 12.419 80 HG21 ILE 11 1HG2 ILE 11 -1.400 -4.926 10.683 81 HG22 ILE 11 2HG2 ILE 11 -0.075 -3.947 10.013 82 HG23 ILE 11 3HG2 ILE 11 -0.151 -4.263 11.762 83 HD11 ILE 11 3HD1 ILE 11 -3.251 -4.959 11.697 84 HD12 ILE 11 1HD1 ILE 11 -4.340 -4.053 12.771 85 HD13 ILE 11 2HD1 ILE 11 -4.245 -3.636 11.043 86 H PHE 12 H PHE 12 -0.727 -0.846 8.890 87 HA PHE 12 HA PHE 12 1.756 -2.139 8.051 88 HB2 PHE 12 1HB PHE 12 -0.275 -0.334 6.697 89 HB3 PHE 12 2HB PHE 12 1.248 -0.791 5.902 90 HD1 PHE 12 2HD PHE 12 1.753 -3.370 5.907 91 HD2 PHE 12 1HD PHE 12 -2.117 -1.614 6.344 92 HE1 PHE 12 2HE PHE 12 0.714 -5.470 5.116 93 HE2 PHE 12 1HE PHE 12 -3.161 -3.712 5.556 94 HZ PHE 12 HZ PHE 12 -1.745 -5.640 4.942 95 H ASP 13 H ASP 13 0.831 1.039 9.163 96 HA ASP 13 HA ASP 13 3.429 2.218 8.426 97 HB2 ASP 13 1HB ASP 13 1.181 3.558 8.656 98 HB3 ASP 13 2HB ASP 13 1.425 3.152 10.372 99 H LYS 14 H LYS 14 4.724 0.535 9.404 100 HA LYS 14 HA LYS 14 4.563 -0.117 12.184 101 HB2 LYS 14 1HB LYS 14 5.718 -1.478 10.510 102 HB3 LYS 14 2HB LYS 14 6.932 -0.193 10.307 103 HG2 LYS 14 1HG LYS 14 7.660 -0.489 12.628 104 HG3 LYS 14 2HG LYS 14 6.419 -1.742 12.869 105 HD2 LYS 14 1HD LYS 14 7.481 -3.150 11.170 106 HD3 LYS 14 2HD LYS 14 8.698 -1.888 10.867 107 HE2 LYS 14 1HE LYS 14 9.465 -2.083 13.204 108 HE3 LYS 14 2HE LYS 14 8.270 -3.372 13.478 109 HZ1 LYS 14 3HZ LYS 14 10.504 -3.486 11.555 110 HZ2 LYS 14 1HZ LYS 14 10.449 -4.264 13.009 111 HZ3 LYS 14 2HZ LYS 14 9.396 -4.682 11.808 112 H ASP 15 H ASP 15 6.499 2.324 10.468 113 HA ASP 15 HA ASP 15 7.944 3.019 12.930 114 HB2 ASP 15 1HB ASP 15 7.991 4.276 10.120 115 HB3 ASP 15 2HB ASP 15 8.840 4.779 11.602 116 H GLY 16 H GLY 16 4.970 3.875 11.532 117 HA2 GLY 16 1HA GLY 16 3.370 5.388 12.263 118 HA3 GLY 16 2HA GLY 16 4.439 5.802 13.623 119 H ASN 17 H ASN 17 4.962 6.029 10.093 120 HA ASN 17 HA ASN 17 6.118 8.719 10.501 121 HB2 ASN 17 1HB ASN 17 6.071 7.053 7.872 122 HB3 ASN 17 2HB ASN 17 6.576 8.693 8.345 123 HD21 ASN 17 2HD2 ASN 17 8.017 6.244 7.353 124 HD22 ASN 17 1HD2 ASN 17 9.315 6.021 8.479 125 H GLY 18 H GLY 18 3.108 7.373 9.622 126 HA2 GLY 18 1HA GLY 18 1.141 8.696 9.388 127 HA3 GLY 18 2HA GLY 18 2.144 10.087 8.912 128 H PHE 19 H PHE 19 3.275 7.365 7.345 129 HA PHE 19 HA PHE 19 1.331 7.321 5.139 130 HB2 PHE 19 1HB PHE 19 2.887 8.094 3.422 131 HB3 PHE 19 2HB PHE 19 2.710 9.368 4.649 132 HD1 PHE 19 1HD PHE 19 4.945 6.871 3.184 133 HD2 PHE 19 2HD PHE 19 4.519 9.968 6.097 134 HE1 PHE 19 1HE PHE 19 7.401 6.954 3.452 135 HE2 PHE 19 2HE PHE 19 6.975 10.057 6.364 136 HZ PHE 19 HZ PHE 19 8.416 8.547 5.041 137 H ILE 20 H ILE 20 1.930 5.818 3.434 138 HA ILE 20 HA ILE 20 3.649 3.601 4.505 139 HB ILE 20 HB ILE 20 1.575 3.585 2.263 140 HG12 ILE 20 1HG1 ILE 20 0.516 3.915 4.376 141 HG13 ILE 20 2HG1 ILE 20 0.199 2.281 3.749 142 HG21 ILE 20 1HG2 ILE 20 1.861 1.132 2.361 143 HG22 ILE 20 2HG2 ILE 20 3.393 1.938 1.951 144 HG23 ILE 20 3HG2 ILE 20 3.122 1.327 3.600 145 HD11 ILE 20 3HD1 ILE 20 2.204 2.995 5.917 146 HD12 ILE 20 1HD1 ILE 20 0.617 2.236 6.176 147 HD13 ILE 20 2HD1 ILE 20 1.888 1.360 5.289 148 H ASP 21 H ASP 21 5.559 3.290 3.802 149 HA ASP 21 HA ASP 21 6.349 4.466 1.182 150 HB2 ASP 21 1HB ASP 21 8.666 4.101 1.929 151 HB3 ASP 21 2HB ASP 21 7.613 4.834 3.164 152 H ARG 22 H ARG 22 8.253 2.931 0.239 153 HA ARG 22 HA ARG 22 6.735 0.887 -1.105 154 HB2 ARG 22 1HB ARG 22 8.487 2.058 -2.201 155 HB3 ARG 22 2HB ARG 22 9.681 1.374 -1.073 156 HG2 ARG 22 1HG ARG 22 9.248 -0.865 -1.917 157 HG3 ARG 22 2HG ARG 22 7.964 -0.244 -2.981 158 HD2 ARG 22 1HD ARG 22 9.575 0.981 -4.258 159 HD3 ARG 22 2HD ARG 22 10.876 0.464 -3.159 160 HE ARG 22 HE ARG 22 9.740 -1.245 -5.317 161 HH11 ARG 22 1HH1 ARG 22 11.662 -1.147 -2.409 162 HH12 ARG 22 2HH1 ARG 22 12.371 -2.695 -2.820 163 HH21 ARG 22 1HH2 ARG 22 10.551 -3.014 -5.805 164 HH22 ARG 22 2HH2 ARG 22 11.740 -3.761 -4.757 165 H GLU 23 H GLU 23 9.104 0.783 1.527 166 HA GLU 23 HA GLU 23 9.418 -2.052 1.620 167 HB2 GLU 23 1HB GLU 23 10.841 -0.446 2.807 168 HB3 GLU 23 2HB GLU 23 9.474 -0.037 3.874 169 HG2 GLU 23 1HG GLU 23 9.500 -2.422 4.752 170 HG3 GLU 23 2HG GLU 23 10.813 -2.695 3.584 171 H GLU 24 H GLU 24 7.077 0.062 3.276 172 HA GLU 24 HA GLU 24 5.779 -2.243 4.556 173 HB2 GLU 24 1HB GLU 24 4.963 0.658 4.331 174 HB3 GLU 24 2HB GLU 24 4.161 -0.576 5.333 175 HG2 GLU 24 1HG GLU 24 7.051 0.406 5.747 176 HG3 GLU 24 2HG GLU 24 5.569 0.888 6.606 177 H PHE 25 H PHE 25 5.336 -0.320 1.664 178 HA PHE 25 HA PHE 25 2.719 -1.240 0.960 179 HB2 PHE 25 1HB PHE 25 3.703 0.558 -0.314 180 HB3 PHE 25 2HB PHE 25 5.117 -0.434 -0.735 181 HD1 PHE 25 1HD PHE 25 1.401 -0.410 -1.096 182 HD2 PHE 25 2HD PHE 25 5.193 -1.443 -2.773 183 HE1 PHE 25 1HE PHE 25 0.283 -1.114 -3.186 184 HE2 PHE 25 2HE PHE 25 4.078 -2.145 -4.865 185 HZ PHE 25 HZ PHE 25 1.622 -1.982 -5.070 186 H GLY 26 H GLY 26 5.917 -2.706 0.539 187 HA2 GLY 26 1HA GLY 26 5.253 -4.856 -1.122 188 HA3 GLY 26 2HA GLY 26 6.483 -4.918 0.161 189 H ASP 27 H ASP 27 4.714 -4.460 2.363 190 HA ASP 27 HA ASP 27 3.704 -7.151 2.782 191 HB2 ASP 27 1HB ASP 27 3.386 -4.586 4.453 192 HB3 ASP 27 2HB ASP 27 2.733 -6.216 4.753 193 H ILE 28 H ILE 28 2.252 -4.072 1.868 194 HA ILE 28 HA ILE 28 -0.497 -5.017 2.121 195 HB ILE 28 HB ILE 28 0.741 -2.701 0.566 196 HG12 ILE 28 1HG1 ILE 28 -0.911 -2.662 3.075 197 HG13 ILE 28 2HG1 ILE 28 0.869 -2.668 3.046 198 HG21 ILE 28 1HG2 ILE 28 -1.576 -1.875 0.326 199 HG22 ILE 28 2HG2 ILE 28 -1.371 -3.448 -0.478 200 HG23 ILE 28 3HG2 ILE 28 -2.185 -3.356 1.101 201 HD11 ILE 28 3HD1 ILE 28 -0.923 -0.543 1.817 202 HD12 ILE 28 1HD1 ILE 28 -0.010 -0.383 3.333 203 HD13 ILE 28 2HD1 ILE 28 0.855 -0.549 1.787 204 H ILE 29 H ILE 29 1.684 -4.624 -0.665 205 HA ILE 29 HA ILE 29 -0.263 -5.731 -2.526 206 HB ILE 29 HB ILE 29 1.791 -4.227 -3.077 207 HG12 ILE 29 1HG1 ILE 29 2.128 -5.335 -5.247 208 HG13 ILE 29 2HG1 ILE 29 1.202 -6.726 -4.640 209 HG21 ILE 29 1HG2 ILE 29 3.857 -5.478 -3.602 210 HG22 ILE 29 2HG2 ILE 29 3.463 -5.591 -1.870 211 HG23 ILE 29 3HG2 ILE 29 3.123 -6.963 -2.951 212 HD11 ILE 29 3HD1 ILE 29 0.156 -3.890 -4.939 213 HD12 ILE 29 1HD1 ILE 29 -0.211 -5.254 -6.019 214 HD13 ILE 29 2HD1 ILE 29 -0.769 -5.281 -4.329 215 H ARG 30 H ARG 30 2.005 -7.130 -0.330 216 HA ARG 30 HA ARG 30 2.321 -9.697 -1.489 217 HB2 ARG 30 1HB ARG 30 3.526 -8.971 0.445 218 HB3 ARG 30 2HB ARG 30 2.027 -9.016 1.403 219 HG2 ARG 30 1HG ARG 30 1.861 -11.414 1.124 220 HG3 ARG 30 2HG ARG 30 3.260 -11.419 0.024 221 HD2 ARG 30 1HD ARG 30 4.721 -10.817 1.797 222 HD3 ARG 30 2HD ARG 30 3.350 -10.615 2.912 223 HE ARG 30 HE ARG 30 3.465 -13.395 2.023 224 HH11 ARG 30 1HH1 ARG 30 5.177 -11.159 4.081 225 HH12 ARG 30 2HH1 ARG 30 5.692 -12.485 5.104 226 HH21 ARG 30 1HH2 ARG 30 4.055 -14.925 3.181 227 HH22 ARG 30 2HH2 ARG 30 5.054 -14.633 4.592 228 H LEU 31 H LEU 31 -0.471 -8.230 0.019 229 HA LEU 31 HA LEU 31 -1.917 -10.689 0.484 230 HB2 LEU 31 1HB LEU 31 -2.707 -7.891 0.018 231 HB3 LEU 31 2HB LEU 31 -3.933 -9.068 0.542 232 HG LEU 31 HG LEU 31 -1.468 -8.231 2.120 233 HD11 LEU 31 1HD1 LEU 31 -3.127 -7.159 3.667 234 HD12 LEU 31 2HD1 LEU 31 -3.218 -6.456 2.036 235 HD13 LEU 31 3HD1 LEU 31 -4.440 -7.637 2.566 236 HD21 LEU 31 3HD2 LEU 31 -2.074 -10.542 2.534 237 HD22 LEU 31 1HD2 LEU 31 -2.464 -9.547 3.958 238 HD23 LEU 31 2HD2 LEU 31 -3.761 -10.072 2.856 239 H THR 32 H THR 32 -1.430 -8.671 -2.323 240 HA THR 32 HA THR 32 -3.134 -10.596 -3.869 241 HB THR 32 HB THR 32 -3.643 -8.738 -5.440 242 HG1 THR 32 1HG THR 32 -3.164 -6.586 -4.693 243 HG21 THR 32 1HG2 THR 32 -5.250 -7.541 -3.996 244 HG22 THR 32 2HG2 THR 32 -5.244 -9.284 -3.640 245 HG23 THR 32 3HG2 THR 32 -4.408 -8.150 -2.552 246 H GLY 33 H GLY 33 -0.157 -10.281 -3.189 247 HA2 GLY 33 1HA GLY 33 0.934 -9.795 -5.907 248 HA3 GLY 33 2HA GLY 33 1.866 -9.909 -4.397 249 H GLU 34 H GLU 34 -0.597 -12.273 -4.873 250 HA GLU 34 HA GLU 34 1.318 -14.453 -4.931 251 HB2 GLU 34 1HB GLU 34 -1.663 -14.317 -5.386 252 HB3 GLU 34 2HB GLU 34 -0.723 -15.829 -5.377 253 HG2 GLU 34 1HG GLU 34 -0.103 -15.402 -2.963 254 HG3 GLU 34 2HG GLU 34 -0.964 -13.857 -3.143 255 H GLN 35 H GLN 35 -0.507 -12.707 -7.377 256 HA GLN 35 HA GLN 35 0.656 -14.536 -9.448 257 HB2 GLN 35 1HB GLN 35 -1.717 -12.662 -9.557 258 HB3 GLN 35 2HB GLN 35 -1.090 -13.610 -10.927 259 HG2 GLN 35 1HG GLN 35 -1.769 -15.803 -9.468 260 HG3 GLN 35 2HG GLN 35 -2.208 -14.450 -8.400 261 HE21 GLN 35 2HE2 GLN 35 -4.118 -16.272 -8.945 262 HE22 GLN 35 1HE2 GLN 35 -5.296 -15.628 -10.041 263 H LEU 36 H LEU 36 1.288 -11.693 -7.971 264 HA LEU 36 HA LEU 36 1.998 -10.226 -10.463 265 HB2 LEU 36 1HB LEU 36 2.088 -9.546 -7.596 266 HB3 LEU 36 2HB LEU 36 2.473 -8.325 -8.832 267 HG LEU 36 HG LEU 36 -0.222 -9.656 -8.354 268 HD11 LEU 36 1HD1 LEU 36 -0.957 -7.328 -7.779 269 HD12 LEU 36 2HD1 LEU 36 0.352 -7.876 -6.706 270 HD13 LEU 36 3HD1 LEU 36 0.707 -6.755 -8.041 271 HD21 LEU 36 3HD2 LEU 36 0.153 -9.310 -10.724 272 HD22 LEU 36 1HD2 LEU 36 -1.069 -8.161 -10.129 273 HD23 LEU 36 2HD2 LEU 36 0.596 -7.611 -10.436 274 H THR 37 H THR 37 4.019 -9.553 -10.989 275 HA THR 37 HA THR 37 6.242 -11.048 -9.712 276 HB THR 37 HB THR 37 7.607 -10.259 -11.551 277 HG1 THR 37 1HG THR 37 6.579 -8.833 -13.134 278 HG21 THR 37 1HG2 THR 37 6.355 -11.145 -13.487 279 HG22 THR 37 2HG2 THR 37 6.107 -12.159 -12.045 280 HG23 THR 37 3HG2 THR 37 4.840 -11.023 -12.563 281 H ASP 38 H ASP 38 8.335 -9.838 -9.453 282 HA ASP 38 HA ASP 38 8.049 -7.743 -7.519 283 HB2 ASP 38 1HB ASP 38 10.493 -8.600 -9.181 284 HB3 ASP 38 2HB ASP 38 10.366 -7.328 -7.941 285 H GLU 39 H GLU 39 8.530 -7.678 -11.017 286 HA GLU 39 HA GLU 39 8.891 -4.806 -11.176 287 HB2 GLU 39 1HB GLU 39 7.971 -6.879 -13.168 288 HB3 GLU 39 2HB GLU 39 8.214 -5.159 -13.558 289 HG2 GLU 39 1HG GLU 39 10.663 -5.392 -13.007 290 HG3 GLU 39 2HG GLU 39 10.270 -7.048 -12.492 291 H ASP 40 H ASP 40 6.062 -6.942 -11.385 292 HA ASP 40 HA ASP 40 4.130 -4.930 -11.974 293 HB2 ASP 40 1HB ASP 40 3.817 -7.529 -10.354 294 HB3 ASP 40 2HB ASP 40 2.586 -6.337 -10.840 295 H VAL 41 H VAL 41 5.478 -6.004 -8.870 296 HA VAL 41 HA VAL 41 3.803 -4.380 -7.184 297 HB VAL 41 HB VAL 41 6.658 -5.375 -6.824 298 HG11 VAL 41 1HG1 VAL 41 6.343 -4.824 -4.434 299 HG12 VAL 41 2HG1 VAL 41 6.242 -3.364 -5.447 300 HG13 VAL 41 3HG1 VAL 41 4.757 -4.108 -4.808 301 HG21 VAL 41 3HG2 VAL 41 5.018 -7.151 -6.989 302 HG22 VAL 41 1HG2 VAL 41 5.636 -7.012 -5.326 303 HG23 VAL 41 2HG2 VAL 41 4.024 -6.375 -5.732 304 H ASP 42 H ASP 42 6.962 -3.669 -8.663 305 HA ASP 42 HA ASP 42 7.135 -1.031 -7.517 306 HB2 ASP 42 1HB ASP 42 8.513 -2.250 -9.983 307 HB3 ASP 42 2HB ASP 42 8.666 -0.609 -9.312 308 H GLU 43 H GLU 43 5.751 -2.264 -10.527 309 HA GLU 43 HA GLU 43 5.238 0.319 -11.699 310 HB2 GLU 43 1HB GLU 43 3.998 -2.406 -12.056 311 HB3 GLU 43 2HB GLU 43 3.483 -0.974 -12.980 312 HG2 GLU 43 1HG GLU 43 5.769 -0.802 -13.998 313 HG3 GLU 43 2HG GLU 43 6.251 -2.096 -12.878 314 H ILE 44 H ILE 44 3.285 -1.812 -9.629 315 HA ILE 44 HA ILE 44 0.938 -0.111 -9.662 316 HB ILE 44 HB ILE 44 1.922 -2.210 -7.679 317 HG12 ILE 44 1HG1 ILE 44 -0.345 -2.337 -9.642 318 HG13 ILE 44 2HG1 ILE 44 1.305 -2.902 -9.989 319 HG21 ILE 44 1HG2 ILE 44 -0.356 -2.123 -6.725 320 HG22 ILE 44 2HG2 ILE 44 0.472 -0.560 -6.545 321 HG23 ILE 44 3HG2 ILE 44 -0.760 -0.773 -7.811 322 HD11 ILE 44 3HD1 ILE 44 -0.505 -3.948 -7.784 323 HD12 ILE 44 1HD1 ILE 44 -0.152 -4.772 -9.320 324 HD13 ILE 44 2HD1 ILE 44 1.147 -4.512 -8.131 325 H PHE 45 H PHE 45 3.722 -0.301 -7.476 326 HA PHE 45 HA PHE 45 2.844 1.677 -5.626 327 HB2 PHE 45 1HB PHE 45 4.852 0.233 -5.287 328 HB3 PHE 45 2HB PHE 45 5.690 1.129 -6.575 329 HD1 PHE 45 1HD PHE 45 4.201 1.416 -3.203 330 HD2 PHE 45 2HD PHE 45 6.734 3.173 -6.161 331 HE1 PHE 45 1HE PHE 45 5.007 3.055 -1.537 332 HE2 PHE 45 2HE PHE 45 7.544 4.813 -4.497 333 HZ PHE 45 HZ PHE 45 6.678 4.754 -2.184 334 H GLY 46 H GLY 46 4.713 2.055 -8.643 335 HA2 GLY 46 1HA GLY 46 4.960 4.905 -8.395 336 HA3 GLY 46 2HA GLY 46 5.189 3.952 -9.879 337 H ASP 47 H ASP 47 2.582 2.775 -9.946 338 HA ASP 47 HA ASP 47 1.148 4.849 -11.341 339 HB2 ASP 47 1HB ASP 47 0.270 2.048 -10.417 340 HB3 ASP 47 2HB ASP 47 -0.684 3.292 -11.263 341 H SER 48 H SER 48 0.785 3.430 -8.109 342 HA SER 48 HA SER 48 -1.594 4.923 -7.338 343 HB2 SER 48 1HB SER 48 -1.036 2.944 -6.271 344 HB3 SER 48 2HB SER 48 0.508 3.627 -5.711 345 HG SER 48 HG SER 48 -2.032 4.729 -5.107 346 H ASP 49 H ASP 49 1.930 5.465 -7.045 347 HA ASP 49 HA ASP 49 1.629 7.928 -5.513 348 HB2 ASP 49 1HB ASP 49 3.741 6.394 -5.515 349 HB3 ASP 49 2HB ASP 49 3.880 7.010 -7.180 350 H THR 50 H THR 50 0.001 8.907 -6.892 351 HA THR 50 HA THR 50 0.625 9.729 -9.585 352 HB THR 50 HB THR 50 -1.326 10.927 -7.572 353 HG1 THR 50 1HG THR 50 -2.831 9.650 -8.805 354 HG21 THR 50 1HG2 THR 50 -2.427 11.888 -9.564 355 HG22 THR 50 2HG2 THR 50 -0.760 12.492 -9.399 356 HG23 THR 50 3HG2 THR 50 -1.135 11.230 -10.596 357 H ASP 51 H ASP 51 1.132 11.231 -6.428 358 HA ASP 51 HA ASP 51 1.963 13.781 -7.609 359 HB2 ASP 51 1HB ASP 51 2.135 12.732 -4.719 360 HB3 ASP 51 2HB ASP 51 2.689 14.282 -5.401 361 H LYS 52 H LYS 52 3.431 10.777 -7.247 362 HA LYS 52 HA LYS 52 5.639 10.074 -7.451 363 HB2 LYS 52 1HB LYS 52 5.926 12.787 -8.751 364 HB3 LYS 52 2HB LYS 52 7.090 11.446 -8.857 365 HG2 LYS 52 1HG LYS 52 5.407 10.075 -10.020 366 HG3 LYS 52 2HG LYS 52 4.245 11.418 -9.918 367 HD2 LYS 52 1HD LYS 52 5.793 12.832 -11.240 368 HD3 LYS 52 2HD LYS 52 6.905 11.449 -11.383 369 HE2 LYS 52 1HE LYS 52 5.209 10.167 -12.570 370 HE3 LYS 52 2HE LYS 52 4.035 11.487 -12.366 371 HZ1 LYS 52 3HZ LYS 52 6.548 11.651 -13.901 372 HZ2 LYS 52 1HZ LYS 52 5.036 11.518 -14.548 373 HZ3 LYS 52 2HZ LYS 52 5.460 12.876 -13.711 374 H ASN 53 H ASN 53 5.041 11.011 -4.961 375 HA ASN 53 HA ASN 53 7.367 12.728 -4.199 376 HB2 ASN 53 1HB ASN 53 4.896 12.045 -2.433 377 HB3 ASN 53 2HB ASN 53 6.482 12.814 -2.185 378 HD21 ASN 53 2HD2 ASN 53 3.541 13.685 -2.174 379 HD22 ASN 53 1HD2 ASN 53 3.552 15.148 -3.102 380 H GLY 54 H GLY 54 6.517 9.496 -4.445 381 HA2 GLY 54 1HA GLY 54 7.823 7.648 -3.820 382 HA3 GLY 54 2HA GLY 54 8.811 8.707 -2.786 383 H ARG 55 H ARG 55 5.429 9.086 -2.406 384 HA ARG 55 HA ARG 55 5.432 7.330 0.016 385 HB2 ARG 55 1HB ARG 55 4.614 10.201 -0.006 386 HB3 ARG 55 2HB ARG 55 4.378 9.038 1.319 387 HG2 ARG 55 1HG ARG 55 6.819 8.788 1.525 388 HG3 ARG 55 2HG ARG 55 7.046 9.966 0.211 389 HD2 ARG 55 1HD ARG 55 5.991 11.673 1.571 390 HD3 ARG 55 2HD ARG 55 5.795 10.492 2.888 391 HE ARG 55 HE ARG 55 8.625 10.710 2.344 392 HH11 ARG 55 1HH1 ARG 55 6.053 12.747 3.526 393 HH12 ARG 55 2HH1 ARG 55 7.201 13.643 4.501 394 HH21 ARG 55 1HH2 ARG 55 9.954 11.731 3.449 395 HH22 ARG 55 2HH2 ARG 55 9.427 13.064 4.457 396 H ILE 56 H ILE 56 3.577 6.363 0.532 397 HA ILE 56 HA ILE 56 1.210 6.943 -1.227 398 HB ILE 56 HB ILE 56 1.832 4.475 0.460 399 HG12 ILE 56 1HG1 ILE 56 3.352 4.630 -1.375 400 HG13 ILE 56 2HG1 ILE 56 2.181 3.313 -1.617 401 HG21 ILE 56 1HG2 ILE 56 -0.100 3.493 -0.727 402 HG22 ILE 56 2HG2 ILE 56 -0.583 4.932 0.201 403 HG23 ILE 56 3HG2 ILE 56 -0.373 5.040 -1.563 404 HD11 ILE 56 3HD1 ILE 56 2.081 6.047 -2.941 405 HD12 ILE 56 1HD1 ILE 56 2.595 4.532 -3.718 406 HD13 ILE 56 2HD1 ILE 56 0.910 4.730 -3.182 407 H ASP 57 H ASP 57 -0.426 7.956 -0.498 408 HA ASP 57 HA ASP 57 -0.598 8.464 2.420 409 HB2 ASP 57 1HB ASP 57 -2.165 10.257 1.812 410 HB3 ASP 57 2HB ASP 57 -0.724 10.183 0.768 411 H PHE 58 H PHE 58 -3.106 8.779 3.034 412 HA PHE 58 HA PHE 58 -3.907 6.012 3.416 413 HB2 PHE 58 1HB PHE 58 -4.210 7.758 5.170 414 HB3 PHE 58 2HB PHE 58 -5.386 8.582 4.123 415 HD1 PHE 58 1HD PHE 58 -4.748 5.198 5.573 416 HD2 PHE 58 2HD PHE 58 -7.591 8.192 4.478 417 HE1 PHE 58 1HE PHE 58 -6.563 3.821 6.532 418 HE2 PHE 58 2HE PHE 58 -9.410 6.820 5.439 419 HZ PHE 58 HZ PHE 58 -8.895 4.632 6.464 420 H ASP 59 H ASP 59 -5.092 8.691 1.434 421 HA ASP 59 HA ASP 59 -7.518 7.487 0.556 422 HB2 ASP 59 1HB ASP 59 -5.651 9.452 -0.900 423 HB3 ASP 59 2HB ASP 59 -7.209 8.777 -1.437 424 H GLU 60 H GLU 60 -4.218 7.212 -0.746 425 HA GLU 60 HA GLU 60 -5.048 5.379 -2.864 426 HB2 GLU 60 1HB GLU 60 -2.369 6.120 -1.686 427 HB3 GLU 60 2HB GLU 60 -2.581 4.975 -3.033 428 HG2 GLU 60 1HG GLU 60 -3.285 7.970 -3.096 429 HG3 GLU 60 2HG GLU 60 -1.933 7.091 -3.845 430 H PHE 61 H PHE 61 -3.744 5.050 0.405 431 HA PHE 61 HA PHE 61 -3.307 2.247 0.421 432 HB2 PHE 61 1HB PHE 61 -2.658 3.638 2.323 433 HB3 PHE 61 2HB PHE 61 -4.354 4.076 2.625 434 HD1 PHE 61 1HD PHE 61 -1.857 1.382 2.797 435 HD2 PHE 61 2HD PHE 61 -5.824 2.629 3.779 436 HE1 PHE 61 1HE PHE 61 -2.079 -0.539 4.337 437 HE2 PHE 61 2HE PHE 61 -6.048 0.711 5.321 438 HZ PHE 61 HZ PHE 61 -4.174 -0.875 5.598 439 H LEU 62 H LEU 62 -6.319 4.068 0.963 440 HA LEU 62 HA LEU 62 -7.971 1.818 1.530 441 HB2 LEU 62 1HB LEU 62 -8.415 4.408 0.209 442 HB3 LEU 62 2HB LEU 62 -9.827 3.393 0.583 443 HG LEU 62 HG LEU 62 -7.874 4.569 2.600 444 HD11 LEU 62 1HD1 LEU 62 -9.841 5.955 3.314 445 HD12 LEU 62 2HD1 LEU 62 -9.414 6.267 1.616 446 HD13 LEU 62 3HD1 LEU 62 -10.807 5.230 2.007 447 HD21 LEU 62 3HD2 LEU 62 -8.714 2.411 3.314 448 HD22 LEU 62 1HD2 LEU 62 -9.437 3.700 4.305 449 HD23 LEU 62 2HD2 LEU 62 -10.390 2.929 3.013 450 H LYS 63 H LYS 63 -7.044 3.283 -1.566 451 HA LYS 63 HA LYS 63 -8.718 1.583 -3.184 452 HB2 LYS 63 1HB LYS 63 -6.141 3.040 -3.787 453 HB3 LYS 63 2HB LYS 63 -7.147 2.214 -5.000 454 HG2 LYS 63 1HG LYS 63 -8.999 3.739 -4.549 455 HG3 LYS 63 2HG LYS 63 -8.059 4.531 -3.261 456 HD2 LYS 63 1HD LYS 63 -6.332 5.116 -5.002 457 HD3 LYS 63 2HD LYS 63 -7.460 4.506 -6.236 458 HE2 LYS 63 1HE LYS 63 -9.110 6.158 -5.631 459 HE3 LYS 63 2HE LYS 63 -8.132 6.690 -4.245 460 HZ1 LYS 63 3HZ LYS 63 -7.368 6.951 -7.082 461 HZ2 LYS 63 1HZ LYS 63 -7.904 8.177 -6.118 462 HZ3 LYS 63 2HZ LYS 63 -6.460 7.445 -5.797 463 H MET 64 H MET 64 -5.421 1.246 -1.941 464 HA MET 64 HA MET 64 -4.798 -1.160 -3.400 465 HB2 MET 64 1HB MET 64 -3.805 -0.045 -0.780 466 HB3 MET 64 2HB MET 64 -3.135 -1.492 -1.570 467 HG2 MET 64 1HG MET 64 -2.444 -0.172 -3.487 468 HG3 MET 64 2HG MET 64 -3.209 1.279 -2.799 469 HE1 MET 64 3HE MET 64 -0.962 2.668 -3.114 470 HE2 MET 64 1HE MET 64 0.626 2.125 -2.522 471 HE3 MET 64 2HE MET 64 -0.187 1.236 -3.833 472 H MET 65 H MET 65 -6.201 -0.609 -0.176 473 HA MET 65 HA MET 65 -6.412 -3.477 0.363 474 HB2 MET 65 1HB MET 65 -7.636 -1.060 1.694 475 HB3 MET 65 2HB MET 65 -7.741 -2.732 2.298 476 HG2 MET 65 1HG MET 65 -5.221 -1.074 1.982 477 HG3 MET 65 2HG MET 65 -6.030 -1.484 3.513 478 HE1 MET 65 3HE MET 65 -6.852 -4.466 3.252 479 HE2 MET 65 1HE MET 65 -5.405 -5.304 3.863 480 HE3 MET 65 2HE MET 65 -5.972 -3.815 4.658 481 H GLU 66 H GLU 66 -8.403 -1.062 -1.163 482 HA GLU 66 HA GLU 66 -10.841 -2.599 -1.223 483 HB2 GLU 66 1HB GLU 66 -10.698 -0.223 -1.809 484 HB3 GLU 66 2HB GLU 66 -9.709 -0.643 -3.229 485 HG2 GLU 66 1HG GLU 66 -11.696 -1.923 -4.174 486 HG3 GLU 66 2HG GLU 66 -12.531 -1.457 -2.675 487 H ASN 67 H ASN 67 -7.999 -2.515 -3.359 488 HA ASN 67 HA ASN 67 -8.981 -4.549 -5.162 489 HB2 ASN 67 1HB ASN 67 -6.018 -3.732 -4.668 490 HB3 ASN 67 2HB ASN 67 -6.853 -4.944 -5.670 491 HD21 ASN 67 2HD2 ASN 67 -5.217 -2.542 -6.321 492 HD22 ASN 67 1HD2 ASN 67 -6.200 -1.611 -7.402 493 H VAL 68 H VAL 68 -7.223 -4.661 -2.100 494 HA VAL 68 HA VAL 68 -6.777 -7.526 -2.089 495 HB VAL 68 HB VAL 68 -7.117 -5.514 0.172 496 HG11 VAL 68 1HG1 VAL 68 -6.171 -7.279 1.621 497 HG12 VAL 68 2HG1 VAL 68 -7.720 -7.795 0.913 498 HG13 VAL 68 3HG1 VAL 68 -6.187 -8.414 0.251 499 HG21 VAL 68 3HG2 VAL 68 -5.164 -5.109 -1.201 500 HG22 VAL 68 1HG2 VAL 68 -4.694 -5.727 0.399 501 HG23 VAL 68 2HG2 VAL 68 -4.657 -6.806 -1.016 502 H GLN 69 H GLN 69 -9.463 -5.531 -0.889 503 HA GLN 69 HA GLN 69 -10.929 -7.803 0.137 504 HB2 GLN 69 1HB GLN 69 -11.280 -5.475 0.869 505 HB3 GLN 69 2HB GLN 69 -11.893 -5.075 -0.753 506 HG2 GLN 69 1HG GLN 69 -13.940 -6.736 -0.245 507 HG3 GLN 69 2HG GLN 69 -12.887 -6.997 1.165 508 HE21 GLN 69 2HE2 GLN 69 -15.606 -6.316 1.366 509 HE22 GLN 69 1HE2 GLN 69 -15.731 -4.732 2.055 Start of MODEL 7 1 H1 SER 1 1H SER 1 -16.828 0.724 4.698 2 H2 SER 1 2H SER 1 -16.565 -0.202 5.847 3 H3 SER 1 3H SER 1 -15.988 1.182 5.852 4 HA SER 1 HA SER 1 -14.665 -1.156 4.742 5 HB2 SER 1 1HB SER 1 -15.250 0.946 2.745 6 HB3 SER 1 2HB SER 1 -14.149 -0.441 2.579 7 HG SER 1 HG SER 1 -16.228 -0.849 1.708 8 H GLU 2 H GLU 2 -14.735 2.417 4.910 9 HA GLU 2 HA GLU 2 -11.886 2.763 4.635 10 HB2 GLU 2 1HB GLU 2 -14.066 4.502 5.791 11 HB3 GLU 2 2HB GLU 2 -12.367 5.014 5.635 12 HG2 GLU 2 1HG GLU 2 -12.550 4.763 3.123 13 HG3 GLU 2 2HG GLU 2 -14.194 4.159 3.429 14 H GLU 3 H GLU 3 -13.973 2.122 7.377 15 HA GLU 3 HA GLU 3 -12.040 2.736 9.427 16 HB2 GLU 3 1HB GLU 3 -14.400 0.855 9.330 17 HB3 GLU 3 2HB GLU 3 -13.423 1.148 10.788 18 HG2 GLU 3 1HG GLU 3 -14.124 3.573 10.753 19 HG3 GLU 3 2HG GLU 3 -14.942 3.190 9.221 20 H GLU 4 H GLU 4 -12.786 -0.245 7.639 21 HA GLU 4 HA GLU 4 -10.753 -1.811 9.002 22 HB2 GLU 4 1HB GLU 4 -12.188 -2.142 6.366 23 HB3 GLU 4 2HB GLU 4 -11.035 -3.324 7.032 24 HG2 GLU 4 1HG GLU 4 -12.575 -3.666 9.014 25 HG3 GLU 4 2HG GLU 4 -13.582 -2.392 8.288 26 H LEU 5 H LEU 5 -10.796 0.249 6.145 27 HA LEU 5 HA LEU 5 -8.132 -0.508 5.264 28 HB2 LEU 5 1HB LEU 5 -9.892 1.816 4.862 29 HB3 LEU 5 2HB LEU 5 -8.363 1.733 3.957 30 HG LEU 5 HG LEU 5 -10.676 -0.236 3.762 31 HD11 LEU 5 1HD1 LEU 5 -10.929 0.682 1.440 32 HD12 LEU 5 2HD1 LEU 5 -11.152 1.952 2.666 33 HD13 LEU 5 3HD1 LEU 5 -9.618 1.838 1.771 34 HD21 LEU 5 3HD2 LEU 5 -8.535 -1.330 3.453 35 HD22 LEU 5 1HD2 LEU 5 -9.395 -1.232 1.899 36 HD23 LEU 5 2HD2 LEU 5 -8.054 -0.113 2.246 37 H SER 6 H SER 6 -9.417 1.860 7.520 38 HA SER 6 HA SER 6 -6.977 3.351 8.015 39 HB2 SER 6 1HB SER 6 -9.348 2.847 9.707 40 HB3 SER 6 2HB SER 6 -7.989 3.929 10.088 41 HG SER 6 HG SER 6 -9.734 5.017 9.080 42 H GLU 7 H GLU 7 -8.421 0.400 9.446 43 HA GLU 7 HA GLU 7 -6.363 -0.018 11.417 44 HB2 GLU 7 1HB GLU 7 -8.285 -1.891 10.034 45 HB3 GLU 7 2HB GLU 7 -7.180 -2.388 11.337 46 HG2 GLU 7 1HG GLU 7 -8.351 -0.825 12.922 47 HG3 GLU 7 2HG GLU 7 -9.273 -0.263 11.510 48 H CYS 8 H CYS 8 -6.807 -1.368 8.142 49 HA CYS 8 HA CYS 8 -4.385 -2.941 8.063 50 HB2 CYS 8 1HB CYS 8 -6.223 -1.563 6.067 51 HB3 CYS 8 2HB CYS 8 -4.906 -2.660 5.586 52 HG CYS 8 HG CYS 8 -5.773 -4.690 6.898 53 H PHE 9 H PHE 9 -5.150 0.441 7.183 54 HA PHE 9 HA PHE 9 -2.657 1.102 5.972 55 HB2 PHE 9 1HB PHE 9 -4.608 2.582 5.801 56 HB3 PHE 9 2HB PHE 9 -4.583 2.857 7.557 57 HD1 PHE 9 1HD PHE 9 -2.643 3.361 4.436 58 HD2 PHE 9 2HD PHE 9 -3.302 4.543 8.488 59 HE1 PHE 9 1HE PHE 9 -1.157 5.310 4.108 60 HE2 PHE 9 2HE PHE 9 -1.819 6.494 8.163 61 HZ PHE 9 HZ PHE 9 -0.745 6.876 5.972 62 H ARG 10 H ARG 10 -3.692 1.454 9.372 63 HA ARG 10 HA ARG 10 -1.154 2.561 10.214 64 HB2 ARG 10 1HB ARG 10 -3.427 1.385 11.740 65 HB3 ARG 10 2HB ARG 10 -1.940 2.017 12.486 66 HG2 ARG 10 1HG ARG 10 -2.385 4.229 11.551 67 HG3 ARG 10 2HG ARG 10 -3.844 3.609 10.742 68 HD2 ARG 10 1HD ARG 10 -4.861 3.174 12.878 69 HD3 ARG 10 2HD ARG 10 -3.394 3.745 13.706 70 HE ARG 10 HE ARG 10 -4.405 5.957 12.151 71 HH11 ARG 10 1HH1 ARG 10 -5.454 4.010 14.847 72 HH12 ARG 10 2HH1 ARG 10 -6.355 5.371 15.486 73 HH21 ARG 10 1HH2 ARG 10 -5.438 7.522 12.866 74 HH22 ARG 10 2HH2 ARG 10 -6.348 7.374 14.356 75 H ILE 11 H ILE 11 -2.479 -0.711 10.087 76 HA ILE 11 HA ILE 11 -0.245 -1.949 11.479 77 HB ILE 11 HB ILE 11 -2.330 -3.031 9.533 78 HG12 ILE 11 1HG1 ILE 11 -2.006 -3.512 12.480 79 HG13 ILE 11 2HG1 ILE 11 -3.037 -2.240 11.783 80 HG21 ILE 11 1HG2 ILE 11 -1.537 -5.277 10.191 81 HG22 ILE 11 2HG2 ILE 11 -0.251 -4.357 9.377 82 HG23 ILE 11 3HG2 ILE 11 -0.231 -4.538 11.147 83 HD11 ILE 11 3HD1 ILE 11 -3.328 -5.227 11.304 84 HD12 ILE 11 1HD1 ILE 11 -4.358 -4.237 12.363 85 HD13 ILE 11 2HD1 ILE 11 -4.359 -3.955 10.606 86 H PHE 12 H PHE 12 -0.925 -1.305 8.064 87 HA PHE 12 HA PHE 12 1.411 -2.787 7.162 88 HB2 PHE 12 1HB PHE 12 -0.404 -0.761 5.788 89 HB3 PHE 12 2HB PHE 12 0.913 -1.634 4.973 90 HD1 PHE 12 1HD PHE 12 0.178 -4.140 6.899 91 HD2 PHE 12 2HD PHE 12 -1.857 -1.717 4.030 92 HE1 PHE 12 1HE PHE 12 -1.360 -6.013 6.412 93 HE2 PHE 12 2HE PHE 12 -3.400 -3.586 3.542 94 HZ PHE 12 HZ PHE 12 -3.150 -5.736 4.732 95 H ASP 13 H ASP 13 0.773 0.563 8.036 96 HA ASP 13 HA ASP 13 3.449 1.460 7.260 97 HB2 ASP 13 1HB ASP 13 1.374 3.017 7.525 98 HB3 ASP 13 2HB ASP 13 1.569 2.576 9.240 99 H LYS 14 H LYS 14 4.665 -0.277 8.204 100 HA LYS 14 HA LYS 14 4.575 -0.734 11.073 101 HB2 LYS 14 1HB LYS 14 6.525 -1.515 8.906 102 HB3 LYS 14 2HB LYS 14 6.703 -1.990 10.612 103 HG2 LYS 14 1HG LYS 14 4.481 -3.120 10.479 104 HG3 LYS 14 2HG LYS 14 4.429 -2.735 8.742 105 HD2 LYS 14 1HD LYS 14 6.717 -4.268 9.999 106 HD3 LYS 14 2HD LYS 14 5.249 -5.077 9.401 107 HE2 LYS 14 1HE LYS 14 5.632 -3.983 7.182 108 HE3 LYS 14 2HE LYS 14 7.180 -3.369 7.805 109 HZ1 LYS 14 3HZ LYS 14 6.437 -6.214 7.563 110 HZ2 LYS 14 1HZ LYS 14 7.467 -5.404 6.561 111 HZ3 LYS 14 2HZ LYS 14 7.873 -5.645 8.141 112 H ASP 15 H ASP 15 6.462 1.332 8.954 113 HA ASP 15 HA ASP 15 8.412 2.097 10.955 114 HB2 ASP 15 1HB ASP 15 7.487 3.505 8.379 115 HB3 ASP 15 2HB ASP 15 8.681 4.046 9.586 116 H GLY 16 H GLY 16 5.197 3.254 10.087 117 HA2 GLY 16 1HA GLY 16 3.727 4.427 11.482 118 HA3 GLY 16 2HA GLY 16 5.026 4.601 12.684 119 H ASN 17 H ASN 17 5.157 5.494 9.248 120 HA ASN 17 HA ASN 17 6.094 8.186 10.083 121 HB2 ASN 17 1HB ASN 17 6.239 6.936 7.236 122 HB3 ASN 17 2HB ASN 17 6.575 8.526 7.964 123 HD21 ASN 17 2HD2 ASN 17 8.232 6.340 6.664 124 HD22 ASN 17 1HD2 ASN 17 9.547 6.100 7.766 125 H GLY 18 H GLY 18 3.218 6.709 9.123 126 HA2 GLY 18 1HA GLY 18 1.153 7.920 9.108 127 HA3 GLY 18 2HA GLY 18 2.034 9.392 8.636 128 H PHE 19 H PHE 19 2.782 6.378 7.066 129 HA PHE 19 HA PHE 19 0.952 6.517 4.865 130 HB2 PHE 19 1HB PHE 19 2.486 7.436 3.134 131 HB3 PHE 19 2HB PHE 19 2.069 8.659 4.356 132 HD1 PHE 19 1HD PHE 19 4.709 6.348 3.200 133 HD2 PHE 19 2HD PHE 19 3.707 9.685 5.670 134 HE1 PHE 19 1HE PHE 19 7.112 6.788 3.576 135 HE2 PHE 19 2HE PHE 19 6.108 10.131 6.047 136 HZ PHE 19 HZ PHE 19 7.812 8.681 5.001 137 H ILE 20 H ILE 20 1.635 5.201 3.013 138 HA ILE 20 HA ILE 20 3.242 2.886 4.001 139 HB ILE 20 HB ILE 20 1.519 3.185 1.498 140 HG12 ILE 20 1HG1 ILE 20 0.154 3.363 3.440 141 HG13 ILE 20 2HG1 ILE 20 -0.100 1.797 2.634 142 HG21 ILE 20 1HG2 ILE 20 1.707 0.723 1.390 143 HG22 ILE 20 2HG2 ILE 20 3.308 1.492 1.293 144 HG23 ILE 20 3HG2 ILE 20 2.773 0.741 2.815 145 HD11 ILE 20 3HD1 ILE 20 1.568 2.261 5.131 146 HD12 ILE 20 1HD1 ILE 20 -0.056 1.540 5.084 147 HD13 ILE 20 2HD1 ILE 20 1.314 0.696 4.325 148 H ASP 21 H ASP 21 5.254 2.704 3.618 149 HA ASP 21 HA ASP 21 6.530 4.272 1.484 150 HB2 ASP 21 1HB ASP 21 7.493 3.465 3.923 151 HB3 ASP 21 2HB ASP 21 7.837 2.076 2.864 152 H ARG 22 H ARG 22 8.196 3.158 0.099 153 HA ARG 22 HA ARG 22 6.816 1.390 -1.699 154 HB2 ARG 22 1HB ARG 22 8.545 2.942 -2.378 155 HB3 ARG 22 2HB ARG 22 9.748 1.927 -1.547 156 HG2 ARG 22 1HG ARG 22 9.189 0.051 -3.038 157 HG3 ARG 22 2HG ARG 22 7.993 1.073 -3.872 158 HD2 ARG 22 1HD ARG 22 9.941 0.941 -5.193 159 HD3 ARG 22 2HD ARG 22 9.826 2.582 -4.515 160 HE ARG 22 HE ARG 22 11.937 2.114 -3.325 161 HH11 ARG 22 1HH1 ARG 22 10.658 -0.843 -4.660 162 HH12 ARG 22 2HH1 ARG 22 12.175 -1.656 -4.329 163 HH21 ARG 22 1HH2 ARG 22 13.678 1.194 -2.933 164 HH22 ARG 22 2HH2 ARG 22 13.898 -0.496 -3.345 165 H GLU 23 H GLU 23 9.350 0.792 0.731 166 HA GLU 23 HA GLU 23 9.489 -2.051 0.196 167 HB2 GLU 23 1HB GLU 23 10.263 -0.362 2.576 168 HB3 GLU 23 2HB GLU 23 10.558 -2.114 2.460 169 HG2 GLU 23 1HG GLU 23 12.060 -1.713 0.472 170 HG3 GLU 23 2HG GLU 23 11.574 -0.007 0.600 171 H GLU 24 H GLU 24 7.640 -0.075 2.491 172 HA GLU 24 HA GLU 24 6.378 -2.299 3.824 173 HB2 GLU 24 1HB GLU 24 5.568 0.577 3.396 174 HB3 GLU 24 2HB GLU 24 4.622 -0.581 4.362 175 HG2 GLU 24 1HG GLU 24 6.516 -0.794 5.983 176 HG3 GLU 24 2HG GLU 24 7.476 0.167 4.835 177 H PHE 25 H PHE 25 5.587 -0.473 0.900 178 HA PHE 25 HA PHE 25 3.013 -1.710 0.480 179 HB2 PHE 25 1HB PHE 25 3.680 0.385 -0.663 180 HB3 PHE 25 2HB PHE 25 4.952 -0.497 -1.537 181 HD1 PHE 25 1HD PHE 25 1.267 -0.594 -0.945 182 HD2 PHE 25 2HD PHE 25 4.519 -1.265 -3.633 183 HE1 PHE 25 1HE PHE 25 -0.337 -1.112 -2.753 184 HE2 PHE 25 2HE PHE 25 2.918 -1.781 -5.444 185 HZ PHE 25 HZ PHE 25 0.489 -1.706 -5.004 186 H GLY 26 H GLY 26 6.298 -2.542 -0.589 187 HA2 GLY 26 1HA GLY 26 5.681 -4.816 -2.135 188 HA3 GLY 26 2HA GLY 26 7.159 -4.609 -1.168 189 H ASP 27 H ASP 27 6.002 -4.457 1.395 190 HA ASP 27 HA ASP 27 5.649 -7.273 1.976 191 HB2 ASP 27 1HB ASP 27 5.360 -4.763 3.731 192 HB3 ASP 27 2HB ASP 27 5.028 -6.458 4.166 193 H ILE 28 H ILE 28 3.441 -4.552 1.582 194 HA ILE 28 HA ILE 28 1.053 -5.904 2.461 195 HB ILE 28 HB ILE 28 1.499 -3.698 0.401 196 HG12 ILE 28 1HG1 ILE 28 0.392 -3.578 3.193 197 HG13 ILE 28 2HG1 ILE 28 2.075 -3.217 2.743 198 HG21 ILE 28 1HG2 ILE 28 -0.938 -3.316 0.542 199 HG22 ILE 28 2HG2 ILE 28 -0.581 -4.939 -0.092 200 HG23 ILE 28 3HG2 ILE 28 -1.101 -4.739 1.597 201 HD11 ILE 28 3HD1 ILE 28 -0.388 -1.738 1.753 202 HD12 ILE 28 1HD1 ILE 28 0.754 -1.152 2.984 203 HD13 ILE 28 2HD1 ILE 28 1.295 -1.376 1.303 204 H ILE 29 H ILE 29 2.520 -5.668 -0.773 205 HA ILE 29 HA ILE 29 0.568 -7.494 -1.948 206 HB ILE 29 HB ILE 29 3.306 -6.493 -2.837 207 HG12 ILE 29 1HG1 ILE 29 0.564 -6.001 -3.964 208 HG13 ILE 29 2HG1 ILE 29 1.399 -4.931 -2.814 209 HG21 ILE 29 1HG2 ILE 29 2.844 -7.590 -5.003 210 HG22 ILE 29 2HG2 ILE 29 2.955 -8.786 -3.691 211 HG23 ILE 29 3HG2 ILE 29 1.364 -8.307 -4.325 212 HD11 ILE 29 3HD1 ILE 29 2.378 -5.659 -5.596 213 HD12 ILE 29 1HD1 ILE 29 1.640 -4.112 -5.124 214 HD13 ILE 29 2HD1 ILE 29 3.213 -4.589 -4.445 215 H ARG 30 H ARG 30 3.739 -7.893 -0.462 216 HA ARG 30 HA ARG 30 4.008 -10.689 -1.069 217 HB2 ARG 30 1HB ARG 30 5.150 -8.938 1.037 218 HB3 ARG 30 2HB ARG 30 5.390 -10.700 1.042 219 HG2 ARG 30 1HG ARG 30 6.326 -10.507 -1.276 220 HG3 ARG 30 2HG ARG 30 6.231 -8.737 -1.110 221 HD2 ARG 30 1HD ARG 30 7.736 -10.417 0.844 222 HD3 ARG 30 2HD ARG 30 8.452 -9.900 -0.700 223 HE ARG 30 HE ARG 30 7.931 -8.055 1.599 224 HH11 ARG 30 1HH1 ARG 30 8.902 -8.404 -1.732 225 HH12 ARG 30 2HH1 ARG 30 9.577 -6.786 -1.710 226 HH21 ARG 30 1HH2 ARG 30 8.707 -6.205 1.641 227 HH22 ARG 30 2HH2 ARG 30 9.468 -5.532 0.213 228 H LEU 31 H LEU 31 2.103 -8.957 1.293 229 HA LEU 31 HA LEU 31 1.642 -11.349 2.935 230 HB2 LEU 31 1HB LEU 31 1.805 -9.188 3.818 231 HB3 LEU 31 2HB LEU 31 0.348 -8.567 3.010 232 HG LEU 31 HG LEU 31 -0.960 -10.365 4.223 233 HD11 LEU 31 1HD1 LEU 31 0.109 -11.317 6.284 234 HD12 LEU 31 2HD1 LEU 31 0.978 -11.817 4.815 235 HD13 LEU 31 3HD1 LEU 31 1.636 -10.520 5.841 236 HD21 LEU 31 3HD2 LEU 31 -1.024 -8.045 4.926 237 HD22 LEU 31 1HD2 LEU 31 -1.056 -9.111 6.350 238 HD23 LEU 31 2HD2 LEU 31 0.447 -8.270 5.902 239 H THR 32 H THR 32 -0.397 -9.297 0.825 240 HA THR 32 HA THR 32 -2.379 -11.552 0.808 241 HB THR 32 HB THR 32 -4.167 -9.841 0.713 242 HG1 THR 32 1HG THR 32 -3.007 -8.088 -0.123 243 HG21 THR 32 1HG2 THR 32 -4.020 -9.077 3.057 244 HG22 THR 32 2HG2 THR 32 -3.510 -10.776 2.903 245 HG23 THR 32 3HG2 THR 32 -2.290 -9.493 3.085 246 H GLY 33 H GLY 33 -0.309 -9.687 -1.018 247 HA2 GLY 33 1HA GLY 33 -2.099 -9.581 -3.382 248 HA3 GLY 33 2HA GLY 33 -0.507 -8.802 -3.221 249 H GLU 34 H GLU 34 -1.800 -12.143 -2.943 250 HA GLU 34 HA GLU 34 0.684 -13.349 -3.753 251 HB2 GLU 34 1HB GLU 34 -2.153 -14.377 -3.660 252 HB3 GLU 34 2HB GLU 34 -0.744 -15.383 -4.072 253 HG2 GLU 34 1HG GLU 34 0.206 -14.949 -1.766 254 HG3 GLU 34 2HG GLU 34 -1.195 -13.882 -1.527 255 H GLN 35 H GLN 35 -2.065 -12.150 -5.542 256 HA GLN 35 HA GLN 35 -1.418 -13.589 -7.993 257 HB2 GLN 35 1HB GLN 35 -3.117 -11.152 -7.424 258 HB3 GLN 35 2HB GLN 35 -2.978 -11.932 -9.018 259 HG2 GLN 35 1HG GLN 35 -4.035 -14.133 -7.773 260 HG3 GLN 35 2HG GLN 35 -3.988 -12.898 -6.493 261 HE21 GLN 35 2HE2 GLN 35 -5.861 -11.920 -6.134 262 HE22 GLN 35 1HE2 GLN 35 -7.113 -11.657 -7.301 263 H LEU 36 H LEU 36 -0.277 -10.702 -6.476 264 HA LEU 36 HA LEU 36 0.774 -9.625 -9.035 265 HB2 LEU 36 1HB LEU 36 0.884 -8.736 -6.227 266 HB3 LEU 36 2HB LEU 36 1.528 -7.705 -7.524 267 HG LEU 36 HG LEU 36 -1.376 -8.519 -7.121 268 HD11 LEU 36 1HD1 LEU 36 -1.726 -6.068 -6.719 269 HD12 LEU 36 2HD1 LEU 36 -0.588 -6.761 -5.540 270 HD13 LEU 36 3HD1 LEU 36 0.024 -5.803 -6.910 271 HD21 LEU 36 3HD2 LEU 36 -0.828 -8.393 -9.479 272 HD22 LEU 36 1HD2 LEU 36 -1.862 -7.018 -9.023 273 HD23 LEU 36 2HD2 LEU 36 -0.114 -6.778 -9.257 274 H THR 37 H THR 37 2.959 -9.043 -9.328 275 HA THR 37 HA THR 37 4.774 -11.074 -8.109 276 HB THR 37 HB THR 37 6.260 -10.656 -9.961 277 HG1 THR 37 1HG THR 37 5.364 -9.012 -11.578 278 HG21 THR 37 1HG2 THR 37 4.820 -11.190 -11.896 279 HG22 THR 37 2HG2 THR 37 4.327 -12.114 -10.455 280 HG23 THR 37 3HG2 THR 37 3.387 -10.693 -10.967 281 H ASP 38 H ASP 38 7.115 -10.318 -7.952 282 HA ASP 38 HA ASP 38 7.259 -8.119 -6.062 283 HB2 ASP 38 1HB ASP 38 9.472 -9.715 -7.487 284 HB3 ASP 38 2HB ASP 38 9.622 -8.360 -6.342 285 H GLU 39 H GLU 39 7.681 -8.411 -9.521 286 HA GLU 39 HA GLU 39 8.893 -5.770 -9.828 287 HB2 GLU 39 1HB GLU 39 7.506 -7.639 -11.753 288 HB3 GLU 39 2HB GLU 39 8.255 -6.092 -12.216 289 HG2 GLU 39 1HG GLU 39 10.504 -6.991 -11.480 290 HG3 GLU 39 2HG GLU 39 9.613 -8.439 -10.956 291 H ASP 40 H ASP 40 5.626 -7.062 -9.749 292 HA ASP 40 HA ASP 40 4.292 -4.705 -10.716 293 HB2 ASP 40 1HB ASP 40 3.306 -6.918 -8.817 294 HB3 ASP 40 2HB ASP 40 2.434 -5.499 -9.449 295 H VAL 41 H VAL 41 5.798 -5.471 -7.680 296 HA VAL 41 HA VAL 41 4.387 -3.689 -5.942 297 HB VAL 41 HB VAL 41 7.321 -4.513 -5.962 298 HG11 VAL 41 1HG1 VAL 41 7.334 -3.755 -3.609 299 HG12 VAL 41 2HG1 VAL 41 6.978 -2.406 -4.714 300 HG13 VAL 41 3HG1 VAL 41 5.663 -3.169 -3.787 301 HG21 VAL 41 3HG2 VAL 41 5.804 -6.386 -5.714 302 HG22 VAL 41 1HG2 VAL 41 6.655 -6.054 -4.187 303 HG23 VAL 41 2HG2 VAL 41 4.960 -5.552 -4.388 304 H ASP 42 H ASP 42 7.331 -3.034 -7.853 305 HA ASP 42 HA ASP 42 7.409 -0.275 -6.950 306 HB2 ASP 42 1HB ASP 42 8.904 -1.707 -9.228 307 HB3 ASP 42 2HB ASP 42 8.979 0.003 -8.733 308 H GLU 43 H GLU 43 6.150 -1.911 -9.819 309 HA GLU 43 HA GLU 43 5.704 0.522 -11.322 310 HB2 GLU 43 1HB GLU 43 4.549 -2.260 -11.511 311 HB3 GLU 43 2HB GLU 43 4.164 -0.947 -12.649 312 HG2 GLU 43 1HG GLU 43 6.611 -0.854 -13.316 313 HG3 GLU 43 2HG GLU 43 6.860 -2.107 -12.079 314 H ILE 44 H ILE 44 3.587 -1.510 -9.303 315 HA ILE 44 HA ILE 44 1.265 0.215 -9.697 316 HB ILE 44 HB ILE 44 1.913 -1.920 -7.617 317 HG12 ILE 44 1HG1 ILE 44 0.002 -1.994 -9.934 318 HG13 ILE 44 2HG1 ILE 44 1.668 -2.619 -9.979 319 HG21 ILE 44 1HG2 ILE 44 -0.485 -1.811 -7.030 320 HG22 ILE 44 2HG2 ILE 44 0.322 -0.259 -6.712 321 HG23 ILE 44 3HG2 ILE 44 -0.699 -0.450 -8.155 322 HD11 ILE 44 3HD1 ILE 44 -0.544 -3.584 -8.132 323 HD12 ILE 44 1HD1 ILE 44 0.048 -4.432 -9.578 324 HD13 ILE 44 2HD1 ILE 44 1.121 -4.208 -8.176 325 H PHE 45 H PHE 45 3.810 0.014 -7.264 326 HA PHE 45 HA PHE 45 2.736 1.840 -5.385 327 HB2 PHE 45 1HB PHE 45 4.801 0.570 -4.956 328 HB3 PHE 45 2HB PHE 45 5.638 1.464 -6.245 329 HD1 PHE 45 1HD PHE 45 4.033 1.801 -2.928 330 HD2 PHE 45 2HD PHE 45 6.628 3.530 -5.847 331 HE1 PHE 45 1HE PHE 45 4.740 3.508 -1.286 332 HE2 PHE 45 2HE PHE 45 7.340 5.238 -4.207 333 HZ PHE 45 HZ PHE 45 6.394 5.226 -1.925 334 H GLY 46 H GLY 46 4.733 2.536 -8.262 335 HA2 GLY 46 1HA GLY 46 4.700 5.376 -7.910 336 HA3 GLY 46 2HA GLY 46 5.039 4.511 -9.427 337 H ASP 47 H ASP 47 2.518 3.111 -9.540 338 HA ASP 47 HA ASP 47 0.885 5.143 -10.809 339 HB2 ASP 47 1HB ASP 47 0.293 2.201 -10.125 340 HB3 ASP 47 2HB ASP 47 -0.764 3.411 -10.895 341 H SER 48 H SER 48 0.879 3.605 -7.646 342 HA SER 48 HA SER 48 -1.771 4.618 -6.841 343 HB2 SER 48 1HB SER 48 0.425 3.388 -5.290 344 HB3 SER 48 2HB SER 48 -1.186 3.843 -4.690 345 HG SER 48 HG SER 48 -2.058 2.420 -6.266 346 H ASP 49 H ASP 49 1.623 5.633 -6.584 347 HA ASP 49 HA ASP 49 1.047 7.830 -4.737 348 HB2 ASP 49 1HB ASP 49 3.363 6.652 -4.989 349 HB3 ASP 49 2HB ASP 49 3.317 7.449 -6.580 350 H THR 50 H THR 50 -0.696 8.868 -5.761 351 HA THR 50 HA THR 50 -0.354 9.955 -8.459 352 HB THR 50 HB THR 50 -2.530 11.023 -8.077 353 HG1 THR 50 1HG THR 50 -1.891 10.437 -5.419 354 HG21 THR 50 1HG2 THR 50 -3.886 9.004 -7.640 355 HG22 THR 50 2HG2 THR 50 -2.507 8.632 -8.704 356 HG23 THR 50 3HG2 THR 50 -2.450 8.184 -6.983 357 H ASP 51 H ASP 51 0.239 11.046 -5.210 358 HA ASP 51 HA ASP 51 0.547 13.859 -6.034 359 HB2 ASP 51 1HB ASP 51 1.183 12.430 -3.383 360 HB3 ASP 51 2HB ASP 51 1.485 14.119 -3.860 361 H LYS 52 H LYS 52 2.387 11.057 -6.308 362 HA LYS 52 HA LYS 52 4.624 10.691 -6.835 363 HB2 LYS 52 1HB LYS 52 4.435 13.568 -7.740 364 HB3 LYS 52 2HB LYS 52 5.714 12.410 -8.176 365 HG2 LYS 52 1HG LYS 52 4.052 11.010 -9.336 366 HG3 LYS 52 2HG LYS 52 2.775 12.172 -8.905 367 HD2 LYS 52 1HD LYS 52 3.986 13.934 -10.163 368 HD3 LYS 52 2HD LYS 52 5.204 12.727 -10.640 369 HE2 LYS 52 1HE LYS 52 3.506 11.427 -11.805 370 HE3 LYS 52 2HE LYS 52 2.242 12.557 -11.270 371 HZ1 LYS 52 3HZ LYS 52 4.504 13.228 -13.042 372 HZ2 LYS 52 1HZ LYS 52 2.941 13.007 -13.523 373 HZ3 LYS 52 2HZ LYS 52 3.331 14.278 -12.545 374 H ASN 53 H ASN 53 4.197 11.248 -4.177 375 HA ASN 53 HA ASN 53 6.362 13.163 -3.425 376 HB2 ASN 53 1HB ASN 53 4.230 11.910 -1.535 377 HB3 ASN 53 2HB ASN 53 5.719 12.866 -1.339 378 HD21 ASN 53 2HD2 ASN 53 2.730 13.306 -0.890 379 HD22 ASN 53 1HD2 ASN 53 2.432 14.854 -1.610 380 H GLY 54 H GLY 54 6.159 10.017 -4.256 381 HA2 GLY 54 1HA GLY 54 7.762 8.333 -3.986 382 HA3 GLY 54 2HA GLY 54 8.580 9.325 -2.757 383 H ARG 55 H ARG 55 5.145 8.431 -2.783 384 HA ARG 55 HA ARG 55 5.288 6.420 -0.733 385 HB2 ARG 55 1HB ARG 55 4.628 7.587 1.184 386 HB3 ARG 55 2HB ARG 55 6.206 8.169 0.604 387 HG2 ARG 55 1HG ARG 55 5.119 10.160 -0.349 388 HG3 ARG 55 2HG ARG 55 3.543 9.580 0.242 389 HD2 ARG 55 1HD ARG 55 4.223 9.841 2.494 390 HD3 ARG 55 2HD ARG 55 5.889 10.219 1.997 391 HE ARG 55 HE ARG 55 5.106 12.518 1.531 392 HH11 ARG 55 1HH1 ARG 55 2.379 10.428 2.120 393 HH12 ARG 55 2HH1 ARG 55 1.330 11.825 2.263 394 HH21 ARG 55 1HH2 ARG 55 3.918 14.128 1.682 395 HH22 ARG 55 2HH2 ARG 55 2.207 13.936 2.012 396 H ILE 56 H ILE 56 3.268 5.749 0.044 397 HA ILE 56 HA ILE 56 0.948 6.836 -1.527 398 HB ILE 56 HB ILE 56 1.322 4.163 -0.097 399 HG12 ILE 56 1HG1 ILE 56 1.032 4.757 -3.030 400 HG13 ILE 56 2HG1 ILE 56 2.574 4.455 -2.195 401 HG21 ILE 56 1HG2 ILE 56 -0.878 3.589 -1.067 402 HG22 ILE 56 2HG2 ILE 56 -1.008 4.980 0.033 403 HG23 ILE 56 3HG2 ILE 56 -1.018 5.234 -1.729 404 HD11 ILE 56 3HD1 ILE 56 0.255 2.504 -2.409 405 HD12 ILE 56 1HD1 ILE 56 1.768 2.427 -3.338 406 HD13 ILE 56 2HD1 ILE 56 1.796 2.202 -1.573 407 H ASP 57 H ASP 57 -0.246 8.233 -0.599 408 HA ASP 57 HA ASP 57 -0.275 8.507 2.318 409 HB2 ASP 57 1HB ASP 57 -0.630 10.362 0.310 410 HB3 ASP 57 2HB ASP 57 -2.269 9.736 0.614 411 H PHE 58 H PHE 58 -2.503 8.921 3.343 412 HA PHE 58 HA PHE 58 -3.842 6.390 3.485 413 HB2 PHE 58 1HB PHE 58 -3.867 7.951 5.376 414 HB3 PHE 58 2HB PHE 58 -4.739 9.156 4.404 415 HD1 PHE 58 1HD PHE 58 -5.008 5.755 5.863 416 HD2 PHE 58 2HD PHE 58 -7.048 9.171 4.307 417 HE1 PHE 58 1HE PHE 58 -7.161 4.820 6.637 418 HE2 PHE 58 2HE PHE 58 -9.203 8.239 5.082 419 HZ PHE 58 HZ PHE 58 -9.259 6.062 6.247 420 H ASP 59 H ASP 59 -4.853 9.464 1.972 421 HA ASP 59 HA ASP 59 -7.308 8.462 0.900 422 HB2 ASP 59 1HB ASP 59 -5.494 10.745 -0.088 423 HB3 ASP 59 2HB ASP 59 -7.058 10.188 -0.735 424 H GLU 60 H GLU 60 -4.015 8.501 -0.434 425 HA GLU 60 HA GLU 60 -4.779 7.200 -2.916 426 HB2 GLU 60 1HB GLU 60 -2.156 7.462 -1.444 427 HB3 GLU 60 2HB GLU 60 -2.335 6.674 -3.030 428 HG2 GLU 60 1HG GLU 60 -2.988 8.828 -4.071 429 HG3 GLU 60 2HG GLU 60 -3.142 9.482 -2.425 430 H PHE 61 H PHE 61 -3.918 6.079 0.297 431 HA PHE 61 HA PHE 61 -3.510 3.315 -0.403 432 HB2 PHE 61 1HB PHE 61 -2.787 4.240 1.771 433 HB3 PHE 61 2HB PHE 61 -4.482 4.554 2.209 434 HD1 PHE 61 1HD PHE 61 -1.953 1.947 1.614 435 HD2 PHE 61 2HD PHE 61 -5.899 2.836 2.991 436 HE1 PHE 61 1HE PHE 61 -2.114 -0.311 2.605 437 HE2 PHE 61 2HE PHE 61 -6.062 0.580 3.986 438 HZ PHE 61 HZ PHE 61 -4.169 -0.996 3.792 439 H LEU 62 H LEU 62 -6.402 5.159 0.510 440 HA LEU 62 HA LEU 62 -8.167 2.917 0.694 441 HB2 LEU 62 1HB LEU 62 -8.258 5.766 0.402 442 HB3 LEU 62 2HB LEU 62 -9.771 5.032 -0.181 443 HG LEU 62 HG LEU 62 -10.281 4.131 1.957 444 HD11 LEU 62 1HD1 LEU 62 -8.686 4.267 3.888 445 HD12 LEU 62 2HD1 LEU 62 -7.986 3.348 2.535 446 HD13 LEU 62 3HD1 LEU 62 -7.483 5.031 2.822 447 HD21 LEU 62 3HD2 LEU 62 -10.763 6.500 1.758 448 HD22 LEU 62 1HD2 LEU 62 -10.303 6.112 3.434 449 HD23 LEU 62 2HD2 LEU 62 -9.135 6.910 2.352 450 H LYS 63 H LYS 63 -7.187 4.907 -2.068 451 HA LYS 63 HA LYS 63 -8.987 3.443 -3.882 452 HB2 LYS 63 1HB LYS 63 -6.806 5.484 -4.337 453 HB3 LYS 63 2HB LYS 63 -7.802 4.765 -5.625 454 HG2 LYS 63 1HG LYS 63 -9.827 5.716 -4.582 455 HG3 LYS 63 2HG LYS 63 -8.820 6.451 -3.311 456 HD2 LYS 63 1HD LYS 63 -7.628 7.771 -5.014 457 HD3 LYS 63 2HD LYS 63 -8.631 7.033 -6.287 458 HE2 LYS 63 1HE LYS 63 -10.648 7.983 -5.244 459 HE3 LYS 63 2HE LYS 63 -9.641 8.732 -3.984 460 HZ1 LYS 63 3HZ LYS 63 -9.495 9.323 -6.871 461 HZ2 LYS 63 1HZ LYS 63 -10.187 10.290 -5.728 462 HZ3 LYS 63 2HZ LYS 63 -8.560 10.017 -5.703 463 H MET 64 H MET 64 -5.658 3.276 -2.836 464 HA MET 64 HA MET 64 -4.704 1.577 -4.967 465 HB2 MET 64 1HB MET 64 -3.220 2.787 -3.480 466 HB3 MET 64 2HB MET 64 -3.839 1.867 -2.088 467 HG2 MET 64 1HG MET 64 -2.601 0.425 -4.415 468 HG3 MET 64 2HG MET 64 -1.557 1.209 -3.205 469 HE1 MET 64 3HE MET 64 -2.782 0.863 -0.460 470 HE2 MET 64 1HE MET 64 -2.216 -0.749 0.041 471 HE3 MET 64 2HE MET 64 -1.122 0.344 -0.842 472 H MET 65 H MET 65 -6.258 0.908 -1.849 473 HA MET 65 HA MET 65 -5.812 -1.959 -2.021 474 HB2 MET 65 1HB MET 65 -7.654 -0.239 -0.366 475 HB3 MET 65 2HB MET 65 -7.540 -2.009 -0.207 476 HG2 MET 65 1HG MET 65 -5.279 -0.032 0.232 477 HG3 MET 65 2HG MET 65 -6.221 -0.830 1.514 478 HE1 MET 65 3HE MET 65 -6.601 -3.762 0.609 479 HE2 MET 65 1HE MET 65 -5.141 -4.549 1.255 480 HE3 MET 65 2HE MET 65 -5.986 -3.312 2.218 481 H GLU 66 H GLU 66 -8.045 0.173 -3.496 482 HA GLU 66 HA GLU 66 -10.073 -1.845 -4.068 483 HB2 GLU 66 1HB GLU 66 -9.352 0.786 -5.362 484 HB3 GLU 66 2HB GLU 66 -10.716 -0.239 -5.869 485 HG2 GLU 66 1HG GLU 66 -11.767 0.075 -3.588 486 HG3 GLU 66 2HG GLU 66 -10.294 0.981 -3.173 487 H ASN 67 H ASN 67 -7.028 -0.869 -5.503 488 HA ASN 67 HA ASN 67 -7.563 -2.629 -7.857 489 HB2 ASN 67 1HB ASN 67 -5.189 -0.640 -7.553 490 HB3 ASN 67 2HB ASN 67 -5.720 -1.875 -8.722 491 HD21 ASN 67 2HD2 ASN 67 -5.399 1.170 -8.687 492 HD22 ASN 67 1HD2 ASN 67 -6.876 1.741 -9.391 493 H VAL 68 H VAL 68 -5.855 -2.535 -4.867 494 HA VAL 68 HA VAL 68 -4.185 -4.897 -5.726 495 HB VAL 68 HB VAL 68 -3.608 -2.796 -3.594 496 HG11 VAL 68 1HG1 VAL 68 -1.448 -3.977 -3.367 497 HG12 VAL 68 2HG1 VAL 68 -2.810 -5.053 -2.978 498 HG13 VAL 68 3HG1 VAL 68 -1.988 -5.191 -4.551 499 HG21 VAL 68 3HG2 VAL 68 -3.286 -1.910 -5.826 500 HG22 VAL 68 1HG2 VAL 68 -1.723 -2.161 -5.013 501 HG23 VAL 68 2HG2 VAL 68 -2.273 -3.310 -6.256 502 H GLN 69 H GLN 69 -4.678 -6.738 -4.950 503 HA GLN 69 HA GLN 69 -6.672 -7.161 -2.960 504 HB2 GLN 69 1HB GLN 69 -5.879 -8.826 -4.624 505 HB3 GLN 69 2HB GLN 69 -4.356 -8.955 -3.714 506 HG2 GLN 69 1HG GLN 69 -5.843 -9.913 -1.673 507 HG3 GLN 69 2HG GLN 69 -7.072 -9.496 -2.889 508 HE21 GLN 69 2HE2 GLN 69 -7.007 -12.017 -1.802 509 HE22 GLN 69 1HE2 GLN 69 -6.471 -13.159 -2.989 Start of MODEL 8 1 H1 SER 1 1H SER 1 -16.285 1.053 2.909 2 H2 SER 1 2H SER 1 -16.470 0.121 4.070 3 H3 SER 1 3H SER 1 -15.844 1.467 4.282 4 HA SER 1 HA SER 1 -14.375 -0.957 3.637 5 HB2 SER 1 1HB SER 1 -13.183 -0.388 1.763 6 HB3 SER 1 2HB SER 1 -14.926 -0.394 1.406 7 HG SER 1 HG SER 1 -13.799 1.401 0.499 8 H GLU 2 H GLU 2 -14.274 2.616 3.817 9 HA GLU 2 HA GLU 2 -11.461 2.813 4.329 10 HB2 GLU 2 1HB GLU 2 -13.772 4.646 4.974 11 HB3 GLU 2 2HB GLU 2 -12.061 5.067 5.232 12 HG2 GLU 2 1HG GLU 2 -11.657 4.884 2.748 13 HG3 GLU 2 2HG GLU 2 -13.342 4.329 2.634 14 H GLU 3 H GLU 3 -14.203 2.246 6.441 15 HA GLU 3 HA GLU 3 -12.979 2.813 8.942 16 HB2 GLU 3 1HB GLU 3 -15.357 2.305 8.627 17 HB3 GLU 3 2HB GLU 3 -14.935 0.621 8.228 18 HG2 GLU 3 1HG GLU 3 -14.030 0.334 10.587 19 HG3 GLU 3 2HG GLU 3 -14.448 2.049 10.810 20 H GLU 4 H GLU 4 -12.958 -0.206 7.046 21 HA GLU 4 HA GLU 4 -11.169 -1.475 9.021 22 HB2 GLU 4 1HB GLU 4 -12.248 -2.381 6.348 23 HB3 GLU 4 2HB GLU 4 -11.222 -3.363 7.422 24 HG2 GLU 4 1HG GLU 4 -13.056 -3.280 9.181 25 HG3 GLU 4 2HG GLU 4 -13.931 -2.249 8.024 26 H LEU 5 H LEU 5 -10.920 0.219 5.989 27 HA LEU 5 HA LEU 5 -8.279 -0.817 5.321 28 HB2 LEU 5 1HB LEU 5 -10.186 1.135 4.416 29 HB3 LEU 5 2HB LEU 5 -8.533 1.569 3.918 30 HG LEU 5 HG LEU 5 -8.296 -0.400 2.611 31 HD11 LEU 5 1HD1 LEU 5 -10.028 -2.215 2.588 32 HD12 LEU 5 2HD1 LEU 5 -9.353 -1.986 4.218 33 HD13 LEU 5 3HD1 LEU 5 -10.955 -1.324 3.818 34 HD21 LEU 5 3HD2 LEU 5 -9.614 1.329 1.537 35 HD22 LEU 5 1HD2 LEU 5 -10.185 -0.277 1.024 36 HD23 LEU 5 2HD2 LEU 5 -11.112 0.656 2.226 37 H SER 6 H SER 6 -9.507 1.863 7.214 38 HA SER 6 HA SER 6 -6.975 3.269 7.584 39 HB2 SER 6 1HB SER 6 -7.987 4.402 9.284 40 HB3 SER 6 2HB SER 6 -9.111 4.266 7.912 41 HG SER 6 HG SER 6 -10.118 3.867 9.929 42 H GLU 7 H GLU 7 -8.566 0.470 9.072 43 HA GLU 7 HA GLU 7 -6.657 0.273 11.280 44 HB2 GLU 7 1HB GLU 7 -8.651 -1.659 10.091 45 HB3 GLU 7 2HB GLU 7 -7.636 -2.009 11.512 46 HG2 GLU 7 1HG GLU 7 -8.769 -0.103 12.746 47 HG3 GLU 7 2HG GLU 7 -9.649 0.183 11.227 48 H CYS 8 H CYS 8 -7.027 -1.248 8.092 49 HA CYS 8 HA CYS 8 -4.837 -3.091 8.171 50 HB2 CYS 8 1HB CYS 8 -6.159 -1.341 6.057 51 HB3 CYS 8 2HB CYS 8 -4.995 -2.635 5.681 52 HG CYS 8 HG CYS 8 -6.360 -4.526 6.754 53 H PHE 9 H PHE 9 -4.967 0.367 7.209 54 HA PHE 9 HA PHE 9 -2.218 0.712 6.591 55 HB2 PHE 9 1HB PHE 9 -3.958 2.424 6.127 56 HB3 PHE 9 2HB PHE 9 -4.126 2.716 7.873 57 HD1 PHE 9 1HD PHE 9 -1.858 3.016 4.979 58 HD2 PHE 9 2HD PHE 9 -2.627 4.087 9.042 59 HE1 PHE 9 1HE PHE 9 -0.075 4.725 4.864 60 HE2 PHE 9 2HE PHE 9 -0.847 5.799 8.930 61 HZ PHE 9 HZ PHE 9 0.431 6.116 6.841 62 H ARG 10 H ARG 10 -3.886 0.976 9.726 63 HA ARG 10 HA ARG 10 -1.527 1.735 11.199 64 HB2 ARG 10 1HB ARG 10 -4.099 0.505 12.066 65 HB3 ARG 10 2HB ARG 10 -2.772 0.941 13.167 66 HG2 ARG 10 1HG ARG 10 -2.960 3.279 12.524 67 HG3 ARG 10 2HG ARG 10 -4.215 2.874 11.328 68 HD2 ARG 10 1HD ARG 10 -5.690 2.180 13.110 69 HD3 ARG 10 2HD ARG 10 -4.434 2.575 14.307 70 HE ARG 10 HE ARG 10 -5.049 5.014 12.894 71 HH11 ARG 10 1HH1 ARG 10 -6.703 2.769 14.987 72 HH12 ARG 10 2HH1 ARG 10 -7.711 4.069 15.594 73 HH21 ARG 10 1HH2 ARG 10 -6.200 6.510 13.573 74 HH22 ARG 10 2HH2 ARG 10 -7.425 6.202 14.788 75 H ILE 11 H ILE 11 -2.882 -1.375 10.253 76 HA ILE 11 HA ILE 11 -1.162 -2.976 11.956 77 HB ILE 11 HB ILE 11 -2.657 -3.587 9.370 78 HG12 ILE 11 1HG1 ILE 11 -3.187 -4.527 12.172 79 HG13 ILE 11 2HG1 ILE 11 -3.932 -3.085 11.447 80 HG21 ILE 11 1HG2 ILE 11 -2.161 -5.964 9.837 81 HG22 ILE 11 2HG2 ILE 11 -0.665 -5.039 9.563 82 HG23 ILE 11 3HG2 ILE 11 -1.147 -5.481 11.218 83 HD11 ILE 11 3HD1 ILE 11 -4.192 -5.931 10.413 84 HD12 ILE 11 1HD1 ILE 11 -5.438 -5.029 11.307 85 HD13 ILE 11 2HD1 ILE 11 -4.937 -4.487 9.687 86 H PHE 12 H PHE 12 -0.827 -1.776 8.642 87 HA PHE 12 HA PHE 12 1.677 -3.290 8.300 88 HB2 PHE 12 1HB PHE 12 0.237 -1.274 6.522 89 HB3 PHE 12 2HB PHE 12 1.710 -2.160 6.067 90 HD1 PHE 12 2HD PHE 12 1.440 -4.818 6.569 91 HD2 PHE 12 1HD PHE 12 -1.684 -2.059 5.631 92 HE1 PHE 12 2HE PHE 12 0.059 -6.679 5.707 93 HE2 PHE 12 1HE PHE 12 -3.069 -3.917 4.771 94 HZ PHE 12 HZ PHE 12 -2.198 -6.227 4.810 95 H ASP 13 H ASP 13 0.718 0.119 8.652 96 HA ASP 13 HA ASP 13 3.552 0.944 8.794 97 HB2 ASP 13 1HB ASP 13 1.638 2.405 7.748 98 HB3 ASP 13 2HB ASP 13 1.109 2.456 9.448 99 H LYS 14 H LYS 14 4.002 -0.542 10.578 100 HA LYS 14 HA LYS 14 2.849 0.095 13.197 101 HB2 LYS 14 1HB LYS 14 5.183 -1.620 12.339 102 HB3 LYS 14 2HB LYS 14 4.605 -1.460 14.015 103 HG2 LYS 14 1HG LYS 14 2.422 -2.392 13.346 104 HG3 LYS 14 2HG LYS 14 3.010 -2.564 11.676 105 HD2 LYS 14 1HD LYS 14 4.763 -4.106 12.445 106 HD3 LYS 14 2HD LYS 14 4.191 -3.926 14.121 107 HE2 LYS 14 1HE LYS 14 2.005 -4.851 13.469 108 HE3 LYS 14 2HE LYS 14 2.588 -5.044 11.800 109 HZ1 LYS 14 3HZ LYS 14 3.705 -6.395 14.173 110 HZ2 LYS 14 1HZ LYS 14 2.737 -7.096 13.037 111 HZ3 LYS 14 2HZ LYS 14 4.246 -6.574 12.625 112 H ASP 15 H ASP 15 5.583 1.132 11.316 113 HA ASP 15 HA ASP 15 7.090 2.246 13.534 114 HB2 ASP 15 1HB ASP 15 7.182 2.846 10.517 115 HB3 ASP 15 2HB ASP 15 8.125 3.577 11.838 116 H GLY 16 H GLY 16 4.371 3.326 11.643 117 HA2 GLY 16 1HA GLY 16 2.977 5.153 12.075 118 HA3 GLY 16 2HA GLY 16 4.083 5.675 13.367 119 H ASN 17 H ASN 17 4.891 4.979 9.978 120 HA ASN 17 HA ASN 17 6.428 7.435 9.763 121 HB2 ASN 17 1HB ASN 17 5.735 5.415 7.497 122 HB3 ASN 17 2HB ASN 17 6.574 6.984 7.587 123 HD21 ASN 17 2HD2 ASN 17 7.456 4.201 6.932 124 HD22 ASN 17 1HD2 ASN 17 8.823 3.919 7.959 125 H GLY 18 H GLY 18 3.183 6.461 8.819 126 HA2 GLY 18 1HA GLY 18 1.417 8.012 8.432 127 HA3 GLY 18 2HA GLY 18 2.617 9.287 8.119 128 H PHE 19 H PHE 19 3.514 6.430 6.586 129 HA PHE 19 HA PHE 19 1.882 6.659 4.182 130 HB2 PHE 19 1HB PHE 19 3.701 7.396 2.677 131 HB3 PHE 19 2HB PHE 19 3.333 8.654 3.878 132 HD1 PHE 19 1HD PHE 19 5.753 6.095 2.831 133 HD2 PHE 19 2HD PHE 19 4.920 9.323 5.501 134 HE1 PHE 19 1HE PHE 19 8.140 6.180 3.470 135 HE2 PHE 19 2HE PHE 19 7.306 9.414 6.141 136 HZ PHE 19 HZ PHE 19 8.917 7.839 5.125 137 H ILE 20 H ILE 20 2.610 5.228 2.455 138 HA ILE 20 HA ILE 20 4.093 2.872 3.587 139 HB ILE 20 HB ILE 20 2.204 3.045 1.193 140 HG12 ILE 20 1HG1 ILE 20 0.974 3.356 3.196 141 HG13 ILE 20 2HG1 ILE 20 0.667 1.733 2.536 142 HG21 ILE 20 1HG2 ILE 20 2.353 0.577 1.220 143 HG22 ILE 20 2HG2 ILE 20 3.951 1.312 0.960 144 HG23 ILE 20 3HG2 ILE 20 3.521 0.662 2.558 145 HD11 ILE 20 3HD1 ILE 20 2.506 2.388 4.865 146 HD12 ILE 20 1HD1 ILE 20 0.884 1.668 4.989 147 HD13 ILE 20 2HD1 ILE 20 2.200 0.764 4.205 148 H ASP 21 H ASP 21 5.992 2.367 2.964 149 HA ASP 21 HA ASP 21 7.253 3.964 0.831 150 HB2 ASP 21 1HB ASP 21 8.302 3.053 3.188 151 HB3 ASP 21 2HB ASP 21 8.490 1.656 2.099 152 H ARG 22 H ARG 22 8.759 2.833 -0.693 153 HA ARG 22 HA ARG 22 7.196 1.102 -2.398 154 HB2 ARG 22 1HB ARG 22 8.827 2.687 -3.224 155 HB3 ARG 22 2HB ARG 22 10.121 1.682 -2.531 156 HG2 ARG 22 1HG ARG 22 9.448 -0.185 -3.982 157 HG3 ARG 22 2HG ARG 22 8.159 0.826 -4.681 158 HD2 ARG 22 1HD ARG 22 9.962 0.748 -6.192 159 HD3 ARG 22 2HD ARG 22 9.899 2.375 -5.477 160 HE ARG 22 HE ARG 22 12.125 1.913 -4.516 161 HH11 ARG 22 1HH1 ARG 22 10.747 -1.036 -5.767 162 HH12 ARG 22 2HH1 ARG 22 12.298 -1.836 -5.607 163 HH21 ARG 22 1HH2 ARG 22 13.907 1.008 -4.320 164 HH22 ARG 22 2HH2 ARG 22 14.101 -0.671 -4.781 165 H GLU 23 H GLU 23 10.006 0.504 -0.288 166 HA GLU 23 HA GLU 23 10.119 -2.325 -0.876 167 HB2 GLU 23 1HB GLU 23 11.126 -0.663 1.435 168 HB3 GLU 23 2HB GLU 23 11.434 -2.407 1.255 169 HG2 GLU 23 1HG GLU 23 12.693 -1.942 -0.888 170 HG3 GLU 23 2HG GLU 23 12.208 -0.246 -0.660 171 H GLU 24 H GLU 24 8.375 -0.400 1.508 172 HA GLU 24 HA GLU 24 7.374 -2.659 3.015 173 HB2 GLU 24 1HB GLU 24 6.365 0.159 2.618 174 HB3 GLU 24 2HB GLU 24 5.608 -1.026 3.709 175 HG2 GLU 24 1HG GLU 24 7.692 -1.082 5.103 176 HG3 GLU 24 2HG GLU 24 8.437 -0.075 3.841 177 H PHE 25 H PHE 25 6.095 -0.811 0.258 178 HA PHE 25 HA PHE 25 3.537 -2.076 0.182 179 HB2 PHE 25 1HB PHE 25 4.028 -0.019 -1.086 180 HB3 PHE 25 2HB PHE 25 5.189 -0.906 -2.098 181 HD1 PHE 25 1HD PHE 25 1.603 -0.928 -1.080 182 HD2 PHE 25 2HD PHE 25 4.512 -1.802 -4.084 183 HE1 PHE 25 1HE PHE 25 -0.207 -1.485 -2.669 184 HE2 PHE 25 2HE PHE 25 2.704 -2.358 -5.676 185 HZ PHE 25 HZ PHE 25 0.343 -2.201 -4.966 186 H GLY 26 H GLY 26 6.651 -3.034 -1.187 187 HA2 GLY 26 1HA GLY 26 5.745 -5.088 -2.901 188 HA3 GLY 26 2HA GLY 26 7.332 -5.045 -2.099 189 H ASP 27 H ASP 27 6.154 -5.009 0.596 190 HA ASP 27 HA ASP 27 5.616 -7.925 0.806 191 HB2 ASP 27 1HB ASP 27 6.186 -5.877 3.033 192 HB3 ASP 27 2HB ASP 27 5.900 -7.635 3.090 193 H ILE 28 H ILE 28 4.082 -4.813 1.394 194 HA ILE 28 HA ILE 28 1.874 -5.856 2.957 195 HB ILE 28 HB ILE 28 2.206 -3.319 1.298 196 HG12 ILE 28 1HG1 ILE 28 2.080 -3.667 4.278 197 HG13 ILE 28 2HG1 ILE 28 3.592 -3.652 3.341 198 HG21 ILE 28 1HG2 ILE 28 0.146 -2.523 2.407 199 HG22 ILE 28 2HG2 ILE 28 -0.178 -3.959 1.409 200 HG23 ILE 28 3HG2 ILE 28 -0.055 -4.115 3.177 201 HD11 ILE 28 3HD1 ILE 28 1.568 -1.390 3.487 202 HD12 ILE 28 1HD1 ILE 28 3.135 -1.442 4.326 203 HD13 ILE 28 2HD1 ILE 28 3.080 -1.375 2.548 204 H ILE 29 H ILE 29 2.237 -5.181 -0.510 205 HA ILE 29 HA ILE 29 -0.516 -5.745 -1.151 206 HB ILE 29 HB ILE 29 1.274 -4.576 -2.633 207 HG12 ILE 29 1HG1 ILE 29 0.252 -5.439 -4.704 208 HG13 ILE 29 2HG1 ILE 29 -0.547 -6.699 -3.734 209 HG21 ILE 29 1HG2 ILE 29 2.482 -6.092 -4.165 210 HG22 ILE 29 2HG2 ILE 29 2.974 -6.363 -2.477 211 HG23 ILE 29 3HG2 ILE 29 1.857 -7.497 -3.269 212 HD11 ILE 29 3HD1 ILE 29 -0.929 -3.702 -3.417 213 HD12 ILE 29 1HD1 ILE 29 -2.076 -4.821 -4.185 214 HD13 ILE 29 2HD1 ILE 29 -1.726 -4.962 -2.446 215 H ARG 30 H ARG 30 2.240 -7.827 -0.654 216 HA ARG 30 HA ARG 30 0.848 -10.196 -1.674 217 HB2 ARG 30 1HB ARG 30 3.343 -9.864 -0.076 218 HB3 ARG 30 2HB ARG 30 2.646 -11.432 -0.544 219 HG2 ARG 30 1HG ARG 30 2.900 -10.874 -2.902 220 HG3 ARG 30 2HG ARG 30 3.516 -9.259 -2.475 221 HD2 ARG 30 1HD ARG 30 4.856 -11.816 -1.674 222 HD3 ARG 30 2HD ARG 30 5.207 -10.939 -3.182 223 HE ARG 30 HE ARG 30 5.712 -9.066 -1.088 224 HH11 ARG 30 1HH1 ARG 30 6.908 -12.237 -1.910 225 HH12 ARG 30 2HH1 ARG 30 8.461 -11.842 -1.201 226 HH21 ARG 30 1HH2 ARG 30 7.483 -8.602 -0.264 227 HH22 ARG 30 2HH2 ARG 30 8.790 -9.770 -0.261 228 H LEU 31 H LEU 31 0.918 -8.420 1.293 229 HA LEU 31 HA LEU 31 -0.292 -10.660 2.807 230 HB2 LEU 31 1HB LEU 31 0.326 -7.838 3.384 231 HB3 LEU 31 2HB LEU 31 -0.360 -8.866 4.662 232 HG LEU 31 HG LEU 31 2.332 -9.241 3.293 233 HD11 LEU 31 1HD1 LEU 31 3.265 -8.701 5.558 234 HD12 LEU 31 2HD1 LEU 31 2.296 -7.353 4.920 235 HD13 LEU 31 3HD1 LEU 31 1.613 -8.433 6.158 236 HD21 LEU 31 3HD2 LEU 31 1.317 -11.371 3.852 237 HD22 LEU 31 1HD2 LEU 31 2.689 -11.049 4.938 238 HD23 LEU 31 2HD2 LEU 31 1.022 -10.826 5.521 239 H THR 32 H THR 32 -1.285 -8.035 0.844 240 HA THR 32 HA THR 32 -4.032 -8.036 1.949 241 HB THR 32 HB THR 32 -4.526 -6.440 0.140 242 HG1 THR 32 1HG THR 32 -3.070 -7.337 -1.424 243 HG21 THR 32 1HG2 THR 32 -3.003 -4.621 0.827 244 HG22 THR 32 2HG2 THR 32 -3.533 -5.576 2.232 245 HG23 THR 32 3HG2 THR 32 -1.905 -5.814 1.557 246 H GLY 33 H GLY 33 -2.199 -9.633 -0.530 247 HA2 GLY 33 1HA GLY 33 -3.041 -11.886 -1.010 248 HA3 GLY 33 2HA GLY 33 -4.683 -11.207 -1.074 249 H GLU 34 H GLU 34 -1.958 -9.508 -2.473 250 HA GLU 34 HA GLU 34 -2.573 -10.633 -5.175 251 HB2 GLU 34 1HB GLU 34 -3.740 -8.484 -4.928 252 HB3 GLU 34 2HB GLU 34 -2.192 -7.709 -4.513 253 HG2 GLU 34 1HG GLU 34 -1.334 -8.258 -6.837 254 HG3 GLU 34 2HG GLU 34 -2.896 -9.072 -7.078 255 H GLN 35 H GLN 35 -0.790 -11.869 -5.278 256 HA GLN 35 HA GLN 35 1.834 -10.899 -4.506 257 HB2 GLN 35 1HB GLN 35 1.169 -13.283 -4.545 258 HB3 GLN 35 2HB GLN 35 1.048 -13.189 -6.318 259 HG2 GLN 35 1HG GLN 35 3.704 -12.698 -6.315 260 HG3 GLN 35 2HG GLN 35 3.315 -12.755 -4.579 261 HE21 GLN 35 2HE2 GLN 35 5.310 -14.337 -5.738 262 HE22 GLN 35 1HE2 GLN 35 4.820 -15.998 -5.669 263 H LEU 36 H LEU 36 2.975 -9.434 -5.469 264 HA LEU 36 HA LEU 36 2.782 -9.229 -8.455 265 HB2 LEU 36 1HB LEU 36 3.600 -7.320 -6.363 266 HB3 LEU 36 2HB LEU 36 3.660 -6.857 -8.081 267 HG LEU 36 HG LEU 36 1.186 -7.472 -6.419 268 HD11 LEU 36 1HD1 LEU 36 0.597 -5.091 -6.949 269 HD12 LEU 36 2HD1 LEU 36 2.145 -5.195 -6.078 270 HD13 LEU 36 3HD1 LEU 36 2.130 -4.926 -7.837 271 HD21 LEU 36 3HD2 LEU 36 0.929 -8.381 -8.653 272 HD22 LEU 36 1HD2 LEU 36 -0.111 -6.949 -8.456 273 HD23 LEU 36 2HD2 LEU 36 1.412 -6.826 -9.371 274 H THR 37 H THR 37 4.620 -8.953 -9.687 275 HA THR 37 HA THR 37 7.041 -10.205 -8.605 276 HB THR 37 HB THR 37 7.963 -9.925 -10.832 277 HG1 THR 37 1HG THR 37 6.499 -8.795 -12.402 278 HG21 THR 37 1HG2 THR 37 6.247 -11.069 -12.193 279 HG22 THR 37 2HG2 THR 37 6.315 -11.743 -10.547 280 HG23 THR 37 3HG2 THR 37 5.004 -10.627 -10.998 281 H ASP 38 H ASP 38 9.191 -9.159 -9.168 282 HA ASP 38 HA ASP 38 9.572 -6.880 -7.528 283 HB2 ASP 38 1HB ASP 38 11.329 -7.955 -9.815 284 HB3 ASP 38 2HB ASP 38 11.630 -6.592 -8.709 285 H GLU 39 H GLU 39 8.839 -7.104 -10.967 286 HA GLU 39 HA GLU 39 9.208 -4.205 -11.353 287 HB2 GLU 39 1HB GLU 39 8.111 -6.397 -13.118 288 HB3 GLU 39 2HB GLU 39 8.281 -4.693 -13.604 289 HG2 GLU 39 1HG GLU 39 10.793 -4.896 -13.313 290 HG3 GLU 39 2HG GLU 39 10.463 -6.552 -12.755 291 H ASP 40 H ASP 40 6.515 -6.492 -11.037 292 HA ASP 40 HA ASP 40 4.463 -4.572 -11.679 293 HB2 ASP 40 1HB ASP 40 4.320 -7.215 -10.107 294 HB3 ASP 40 2HB ASP 40 3.015 -6.071 -10.507 295 H VAL 41 H VAL 41 6.024 -5.511 -8.649 296 HA VAL 41 HA VAL 41 4.356 -3.997 -6.863 297 HB VAL 41 HB VAL 41 7.308 -4.729 -6.763 298 HG11 VAL 41 1HG1 VAL 41 7.230 -4.033 -4.391 299 HG12 VAL 41 2HG1 VAL 41 6.911 -2.657 -5.473 300 HG13 VAL 41 3HG1 VAL 41 5.565 -3.448 -4.618 301 HG21 VAL 41 3HG2 VAL 41 5.790 -6.612 -6.621 302 HG22 VAL 41 1HG2 VAL 41 6.582 -6.319 -5.056 303 HG23 VAL 41 2HG2 VAL 41 4.893 -5.816 -5.306 304 H ASP 42 H ASP 42 7.226 -3.018 -8.719 305 HA ASP 42 HA ASP 42 7.231 -0.338 -7.614 306 HB2 ASP 42 1HB ASP 42 8.564 -1.463 -10.151 307 HB3 ASP 42 2HB ASP 42 8.624 0.180 -9.469 308 H GLU 43 H GLU 43 5.816 -1.807 -10.505 309 HA GLU 43 HA GLU 43 5.003 0.712 -11.685 310 HB2 GLU 43 1HB GLU 43 4.095 -2.142 -12.060 311 HB3 GLU 43 2HB GLU 43 3.448 -0.769 -12.990 312 HG2 GLU 43 1HG GLU 43 5.740 -0.349 -13.949 313 HG3 GLU 43 2HG GLU 43 6.307 -1.629 -12.851 314 H ILE 44 H ILE 44 3.289 -1.726 -9.728 315 HA ILE 44 HA ILE 44 0.806 -0.199 -9.678 316 HB ILE 44 HB ILE 44 1.845 -2.432 -7.872 317 HG12 ILE 44 1HG1 ILE 44 1.606 -3.132 -10.147 318 HG13 ILE 44 2HG1 ILE 44 0.368 -3.872 -9.105 319 HG21 ILE 44 1HG2 ILE 44 -0.510 -2.658 -7.157 320 HG22 ILE 44 2HG2 ILE 44 0.132 -1.050 -6.747 321 HG23 ILE 44 3HG2 ILE 44 -0.947 -1.247 -8.147 322 HD11 ILE 44 3HD1 ILE 44 -0.060 -1.518 -10.979 323 HD12 ILE 44 1HD1 ILE 44 -0.585 -3.191 -11.274 324 HD13 ILE 44 2HD1 ILE 44 -1.298 -2.257 -9.937 325 H PHE 45 H PHE 45 3.612 -0.396 -7.542 326 HA PHE 45 HA PHE 45 2.670 1.319 -5.485 327 HB2 PHE 45 1HB PHE 45 4.830 0.174 -5.312 328 HB3 PHE 45 2HB PHE 45 5.456 1.089 -6.702 329 HD1 PHE 45 1HD PHE 45 4.328 1.355 -3.195 330 HD2 PHE 45 2HD PHE 45 6.346 3.237 -6.456 331 HE1 PHE 45 1HE PHE 45 5.164 3.105 -1.664 332 HE2 PHE 45 2HE PHE 45 7.186 4.988 -4.928 333 HZ PHE 45 HZ PHE 45 6.594 4.923 -2.531 334 H GLY 46 H GLY 46 4.253 2.177 -8.568 335 HA2 GLY 46 1HA GLY 46 4.099 5.005 -8.150 336 HA3 GLY 46 2HA GLY 46 4.299 4.184 -9.716 337 H ASP 47 H ASP 47 1.860 2.630 -9.514 338 HA ASP 47 HA ASP 47 -0.048 4.514 -10.570 339 HB2 ASP 47 1HB ASP 47 -0.405 1.607 -9.625 340 HB3 ASP 47 2HB ASP 47 -1.616 2.728 -10.295 341 H SER 48 H SER 48 0.325 2.998 -7.385 342 HA SER 48 HA SER 48 -2.073 4.130 -6.178 343 HB2 SER 48 1HB SER 48 0.420 3.080 -4.985 344 HB3 SER 48 2HB SER 48 -1.040 3.595 -4.111 345 HG SER 48 HG SER 48 -0.904 1.571 -6.095 346 H ASP 49 H ASP 49 1.323 5.174 -6.520 347 HA ASP 49 HA ASP 49 0.970 7.550 -4.856 348 HB2 ASP 49 1HB ASP 49 3.244 6.352 -5.288 349 HB3 ASP 49 2HB ASP 49 2.978 6.972 -6.936 350 H THR 50 H THR 50 -0.991 8.328 -5.849 351 HA THR 50 HA THR 50 -0.887 9.286 -8.611 352 HB THR 50 HB THR 50 -3.087 10.266 -8.132 353 HG1 THR 50 1HG THR 50 -2.226 9.888 -5.506 354 HG21 THR 50 1HG2 THR 50 -4.299 8.210 -7.499 355 HG22 THR 50 2HG2 THR 50 -2.978 7.850 -8.636 356 HG23 THR 50 3HG2 THR 50 -2.782 7.499 -6.903 357 H ASP 51 H ASP 51 -0.155 10.598 -5.468 358 HA ASP 51 HA ASP 51 -0.023 13.366 -6.426 359 HB2 ASP 51 1HB ASP 51 1.017 12.048 -3.847 360 HB3 ASP 51 2HB ASP 51 1.197 13.730 -4.406 361 H LYS 52 H LYS 52 1.934 10.613 -6.749 362 HA LYS 52 HA LYS 52 4.105 10.322 -7.534 363 HB2 LYS 52 1HB LYS 52 3.615 13.085 -8.655 364 HB3 LYS 52 2HB LYS 52 4.899 11.958 -9.155 365 HG2 LYS 52 1HG LYS 52 3.193 10.371 -9.955 366 HG3 LYS 52 2HG LYS 52 1.911 11.501 -9.458 367 HD2 LYS 52 1HD LYS 52 2.834 13.195 -11.017 368 HD3 LYS 52 2HD LYS 52 4.057 12.015 -11.546 369 HE2 LYS 52 1HE LYS 52 2.311 10.522 -12.355 370 HE3 LYS 52 2HE LYS 52 1.055 11.630 -11.756 371 HZ1 LYS 52 3HZ LYS 52 3.022 12.248 -13.866 372 HZ2 LYS 52 1HZ LYS 52 1.428 11.900 -14.113 373 HZ3 LYS 52 2HZ LYS 52 1.858 13.276 -13.310 374 H ASN 53 H ASN 53 3.992 11.095 -4.903 375 HA ASN 53 HA ASN 53 6.146 13.159 -4.638 376 HB2 ASN 53 1HB ASN 53 5.273 13.553 -2.318 377 HB3 ASN 53 2HB ASN 53 4.097 13.370 -3.643 378 HD21 ASN 53 2HD2 ASN 53 3.294 13.182 -1.055 379 HD22 ASN 53 1HD2 ASN 53 2.850 11.548 -0.689 380 H GLY 54 H GLY 54 5.877 9.909 -4.964 381 HA2 GLY 54 1HA GLY 54 7.895 8.599 -4.951 382 HA3 GLY 54 2HA GLY 54 8.505 9.584 -3.600 383 H ARG 55 H ARG 55 5.446 9.201 -2.718 384 HA ARG 55 HA ARG 55 5.796 6.498 -1.500 385 HB2 ARG 55 1HB ARG 55 5.234 8.966 0.084 386 HB3 ARG 55 2HB ARG 55 5.185 7.286 0.667 387 HG2 ARG 55 1HG ARG 55 7.660 8.623 -0.464 388 HG3 ARG 55 2HG ARG 55 7.270 8.554 1.272 389 HD2 ARG 55 1HD ARG 55 7.272 6.098 1.106 390 HD3 ARG 55 2HD ARG 55 7.835 6.260 -0.574 391 HE ARG 55 HE ARG 55 9.571 6.679 1.814 392 HH11 ARG 55 1HH1 ARG 55 9.215 7.077 -1.632 393 HH12 ARG 55 2HH1 ARG 55 10.947 7.285 -1.793 394 HH21 ARG 55 1HH2 ARG 55 11.557 6.907 1.646 395 HH22 ARG 55 2HH2 ARG 55 12.285 7.188 0.075 396 H ILE 56 H ILE 56 3.890 5.594 -0.591 397 HA ILE 56 HA ILE 56 1.389 6.612 -1.862 398 HB ILE 56 HB ILE 56 2.017 4.057 -0.312 399 HG12 ILE 56 1HG1 ILE 56 1.334 4.454 -3.213 400 HG13 ILE 56 2HG1 ILE 56 2.979 4.252 -2.567 401 HG21 ILE 56 1HG2 ILE 56 -0.263 3.349 -0.953 402 HG22 ILE 56 2HG2 ILE 56 -0.308 4.804 0.070 403 HG23 ILE 56 3HG2 ILE 56 -0.553 4.944 -1.686 404 HD11 ILE 56 3HD1 ILE 56 0.727 2.221 -2.365 405 HD12 ILE 56 1HD1 ILE 56 2.114 2.132 -3.475 406 HD13 ILE 56 2HD1 ILE 56 2.373 2.020 -1.718 407 H ASP 57 H ASP 57 0.071 7.892 -0.938 408 HA ASP 57 HA ASP 57 0.436 8.571 1.890 409 HB2 ASP 57 1HB ASP 57 -0.378 10.104 -0.239 410 HB3 ASP 57 2HB ASP 57 -1.891 9.371 0.351 411 H PHE 58 H PHE 58 -1.573 8.877 3.254 412 HA PHE 58 HA PHE 58 -2.660 6.311 3.874 413 HB2 PHE 58 1HB PHE 58 -2.563 8.072 5.564 414 HB3 PHE 58 2HB PHE 58 -3.643 9.105 4.601 415 HD1 PHE 58 1HD PHE 58 -3.470 5.886 6.439 416 HD2 PHE 58 2HD PHE 58 -5.936 8.987 4.842 417 HE1 PHE 58 1HE PHE 58 -5.426 4.932 7.613 418 HE2 PHE 58 2HE PHE 58 -7.894 8.039 6.017 419 HZ PHE 58 HZ PHE 58 -7.638 6.009 7.402 420 H ASP 59 H ASP 59 -4.208 9.095 2.249 421 HA ASP 59 HA ASP 59 -6.666 7.719 1.697 422 HB2 ASP 59 1HB ASP 59 -5.366 10.133 0.300 423 HB3 ASP 59 2HB ASP 59 -6.918 9.334 -0.052 424 H GLU 60 H GLU 60 -3.646 8.016 -0.132 425 HA GLU 60 HA GLU 60 -4.628 6.625 -2.471 426 HB2 GLU 60 1HB GLU 60 -1.859 7.076 -1.354 427 HB3 GLU 60 2HB GLU 60 -2.187 6.261 -2.903 428 HG2 GLU 60 1HG GLU 60 -3.178 8.370 -3.818 429 HG3 GLU 60 2HG GLU 60 -3.032 9.031 -2.173 430 H PHE 61 H PHE 61 -3.124 5.570 0.547 431 HA PHE 61 HA PHE 61 -2.868 2.797 -0.154 432 HB2 PHE 61 1HB PHE 61 -1.793 3.715 1.855 433 HB3 PHE 61 2HB PHE 61 -3.381 4.113 2.550 434 HD1 PHE 61 1HD PHE 61 -1.122 1.361 1.586 435 HD2 PHE 61 2HD PHE 61 -4.680 2.503 3.656 436 HE1 PHE 61 1HE PHE 61 -1.207 -0.862 2.664 437 HE2 PHE 61 2HE PHE 61 -4.767 0.282 4.738 438 HZ PHE 61 HZ PHE 61 -3.030 -1.402 4.239 439 H LEU 62 H LEU 62 -5.543 4.607 1.359 440 HA LEU 62 HA LEU 62 -7.326 2.406 1.635 441 HB2 LEU 62 1HB LEU 62 -7.406 5.272 1.448 442 HB3 LEU 62 2HB LEU 62 -8.998 4.562 1.097 443 HG LEU 62 HG LEU 62 -9.139 3.577 3.269 444 HD11 LEU 62 1HD1 LEU 62 -7.267 3.754 4.930 445 HD12 LEU 62 2HD1 LEU 62 -6.755 2.875 3.472 446 HD13 LEU 62 3HD1 LEU 62 -6.275 4.573 3.702 447 HD21 LEU 62 3HD2 LEU 62 -9.731 5.926 3.184 448 HD22 LEU 62 1HD2 LEU 62 -9.002 5.541 4.761 449 HD23 LEU 62 2HD2 LEU 62 -8.047 6.392 3.523 450 H LYS 63 H LYS 63 -6.778 4.583 -1.122 451 HA LYS 63 HA LYS 63 -8.794 3.352 -2.792 452 HB2 LYS 63 1HB LYS 63 -6.328 4.980 -3.415 453 HB3 LYS 63 2HB LYS 63 -7.501 4.435 -4.638 454 HG2 LYS 63 1HG LYS 63 -9.272 5.725 -3.537 455 HG3 LYS 63 2HG LYS 63 -8.125 6.244 -2.279 456 HD2 LYS 63 1HD LYS 63 -6.737 7.319 -4.052 457 HD3 LYS 63 2HD LYS 63 -7.986 6.886 -5.244 458 HE2 LYS 63 1HE LYS 63 -9.633 8.230 -4.058 459 HE3 LYS 63 2HE LYS 63 -8.447 8.604 -2.787 460 HZ1 LYS 63 3HZ LYS 63 -8.232 9.400 -5.620 461 HZ2 LYS 63 1HZ LYS 63 -8.647 10.397 -4.372 462 HZ3 LYS 63 2HZ LYS 63 -7.131 9.748 -4.441 463 H MET 64 H MET 64 -5.345 2.750 -2.275 464 HA MET 64 HA MET 64 -5.058 0.806 -4.381 465 HB2 MET 64 1HB MET 64 -3.175 1.897 -3.303 466 HB3 MET 64 2HB MET 64 -3.604 1.130 -1.754 467 HG2 MET 64 1HG MET 64 -3.009 -0.541 -4.187 468 HG3 MET 64 2HG MET 64 -1.683 0.123 -3.204 469 HE1 MET 64 3HE MET 64 -2.610 0.035 -0.272 470 HE2 MET 64 1HE MET 64 -2.130 -1.603 0.233 471 HE3 MET 64 2HE MET 64 -1.060 -0.648 -0.820 472 H MET 65 H MET 65 -5.972 0.522 -0.961 473 HA MET 65 HA MET 65 -5.918 -2.340 -0.863 474 HB2 MET 65 1HB MET 65 -7.453 -0.258 0.681 475 HB3 MET 65 2HB MET 65 -7.540 -2.001 1.035 476 HG2 MET 65 1HG MET 65 -5.011 -0.326 1.091 477 HG3 MET 65 2HG MET 65 -5.971 -0.770 2.522 478 HE1 MET 65 3HE MET 65 -6.842 -3.706 2.105 479 HE2 MET 65 1HE MET 65 -5.471 -4.608 2.797 480 HE3 MET 65 2HE MET 65 -6.054 -3.125 3.594 481 H GLU 66 H GLU 66 -8.420 -0.064 -1.878 482 HA GLU 66 HA GLU 66 -10.466 -2.097 -2.222 483 HB2 GLU 66 1HB GLU 66 -10.090 0.677 -3.352 484 HB3 GLU 66 2HB GLU 66 -11.508 -0.347 -3.687 485 HG2 GLU 66 1HG GLU 66 -12.044 -0.337 -1.199 486 HG3 GLU 66 2HG GLU 66 -10.565 0.635 -1.025 487 H ASN 67 H ASN 67 -7.703 -1.133 -4.051 488 HA ASN 67 HA ASN 67 -8.815 -2.361 -6.534 489 HB2 ASN 67 1HB ASN 67 -6.215 -0.670 -6.287 490 HB3 ASN 67 2HB ASN 67 -6.988 -1.667 -7.543 491 HD21 ASN 67 2HD2 ASN 67 -6.386 1.300 -7.128 492 HD22 ASN 67 1HD2 ASN 67 -7.876 2.080 -7.541 493 H VAL 68 H VAL 68 -7.460 -3.519 -3.869 494 HA VAL 68 HA VAL 68 -5.356 -5.231 -4.975 495 HB VAL 68 HB VAL 68 -7.028 -5.446 -2.437 496 HG11 VAL 68 1HG1 VAL 68 -5.325 -7.086 -1.716 497 HG12 VAL 68 2HG1 VAL 68 -6.178 -7.648 -3.173 498 HG13 VAL 68 3HG1 VAL 68 -4.537 -6.969 -3.307 499 HG21 VAL 68 3HG2 VAL 68 -5.621 -3.476 -2.469 500 HG22 VAL 68 1HG2 VAL 68 -5.003 -4.675 -1.309 501 HG23 VAL 68 2HG2 VAL 68 -4.204 -4.471 -2.885 502 H GLN 69 H GLN 69 -5.465 -6.912 -6.163 503 HA GLN 69 HA GLN 69 -7.984 -7.967 -7.074 504 HB2 GLN 69 1HB GLN 69 -5.859 -8.027 -8.346 505 HB3 GLN 69 2HB GLN 69 -5.223 -9.200 -7.169 506 HG2 GLN 69 1HG GLN 69 -7.127 -10.889 -8.027 507 HG3 GLN 69 2HG GLN 69 -7.542 -9.387 -8.886 508 HE21 GLN 69 2HE2 GLN 69 -7.196 -11.795 -10.227 509 HE22 GLN 69 1HE2 GLN 69 -5.763 -11.708 -11.198 Start of MODEL 9 1 H1 SER 1 1H SER 1 -16.520 1.117 3.614 2 H2 SER 1 2H SER 1 -16.571 0.182 4.786 3 H3 SER 1 3H SER 1 -15.948 1.538 4.935 4 HA SER 1 HA SER 1 -14.513 -0.861 4.141 5 HB2 SER 1 1HB SER 1 -14.525 1.261 2.080 6 HB3 SER 1 2HB SER 1 -13.480 -0.176 2.162 7 HG SER 1 HG SER 1 -15.318 -0.488 0.832 8 H GLU 2 H GLU 2 -14.472 2.708 4.350 9 HA GLU 2 HA GLU 2 -11.634 2.994 4.567 10 HB2 GLU 2 1HB GLU 2 -13.919 4.712 5.541 11 HB3 GLU 2 2HB GLU 2 -12.206 5.190 5.622 12 HG2 GLU 2 1HG GLU 2 -12.080 5.107 3.101 13 HG3 GLU 2 2HG GLU 2 -13.751 4.498 3.158 14 H GLU 3 H GLU 3 -14.116 2.349 6.981 15 HA GLU 3 HA GLU 3 -12.449 2.824 9.285 16 HB2 GLU 3 1HB GLU 3 -14.884 1.095 8.838 17 HB3 GLU 3 2HB GLU 3 -14.101 1.320 10.421 18 HG2 GLU 3 1HG GLU 3 -14.641 3.784 10.320 19 HG3 GLU 3 2HG GLU 3 -15.262 3.459 8.686 20 H GLU 4 H GLU 4 -13.023 -0.030 7.270 21 HA GLU 4 HA GLU 4 -11.333 -1.743 8.937 22 HB2 GLU 4 1HB GLU 4 -12.425 -2.023 6.134 23 HB3 GLU 4 2HB GLU 4 -11.474 -3.271 6.976 24 HG2 GLU 4 1HG GLU 4 -13.304 -3.432 8.728 25 HG3 GLU 4 2HG GLU 4 -14.100 -2.121 7.827 26 H LEU 5 H LEU 5 -10.887 0.295 6.104 27 HA LEU 5 HA LEU 5 -8.217 -0.743 5.535 28 HB2 LEU 5 1HB LEU 5 -9.738 1.659 4.769 29 HB3 LEU 5 2HB LEU 5 -8.149 1.365 4.024 30 HG LEU 5 HG LEU 5 -10.664 -0.323 3.741 31 HD11 LEU 5 1HD1 LEU 5 -10.435 0.271 1.315 32 HD12 LEU 5 2HD1 LEU 5 -10.601 1.727 2.323 33 HD13 LEU 5 3HD1 LEU 5 -9.001 1.250 1.705 34 HD21 LEU 5 3HD2 LEU 5 -8.722 -1.764 3.914 35 HD22 LEU 5 1HD2 LEU 5 -9.333 -1.766 2.242 36 HD23 LEU 5 2HD2 LEU 5 -7.878 -0.827 2.658 37 H SER 6 H SER 6 -9.551 1.729 7.594 38 HA SER 6 HA SER 6 -7.132 3.175 8.253 39 HB2 SER 6 1HB SER 6 -9.576 2.623 9.822 40 HB3 SER 6 2HB SER 6 -8.230 3.680 10.305 41 HG SER 6 HG SER 6 -9.921 4.817 9.260 42 H GLU 7 H GLU 7 -8.640 0.192 9.548 43 HA GLU 7 HA GLU 7 -6.606 -0.269 11.555 44 HB2 GLU 7 1HB GLU 7 -8.600 -2.087 10.200 45 HB3 GLU 7 2HB GLU 7 -7.523 -2.592 11.525 46 HG2 GLU 7 1HG GLU 7 -8.648 -0.942 13.058 47 HG3 GLU 7 2HG GLU 7 -9.546 -0.395 11.625 48 H CYS 8 H CYS 8 -7.093 -1.517 8.255 49 HA CYS 8 HA CYS 8 -4.778 -3.229 8.117 50 HB2 CYS 8 1HB CYS 8 -6.437 -1.578 6.169 51 HB3 CYS 8 2HB CYS 8 -5.206 -2.758 5.660 52 HG CYS 8 HG CYS 8 -7.538 -3.670 5.246 53 H PHE 9 H PHE 9 -5.279 0.247 7.420 54 HA PHE 9 HA PHE 9 -2.675 0.753 6.340 55 HB2 PHE 9 1HB PHE 9 -4.565 2.331 6.078 56 HB3 PHE 9 2HB PHE 9 -4.550 2.643 7.827 57 HD1 PHE 9 1HD PHE 9 -2.532 2.946 4.731 58 HD2 PHE 9 2HD PHE 9 -3.168 4.254 8.748 59 HE1 PHE 9 1HE PHE 9 -0.911 4.781 4.388 60 HE2 PHE 9 2HE PHE 9 -1.549 6.092 8.409 61 HZ PHE 9 HZ PHE 9 -0.419 6.354 6.228 62 H ARG 10 H ARG 10 -3.920 1.072 9.667 63 HA ARG 10 HA ARG 10 -1.467 2.035 10.794 64 HB2 ARG 10 1HB ARG 10 -3.782 0.607 12.006 65 HB3 ARG 10 2HB ARG 10 -2.357 1.147 12.924 66 HG2 ARG 10 1HG ARG 10 -2.801 3.464 12.291 67 HG3 ARG 10 2HG ARG 10 -4.193 2.945 11.310 68 HD2 ARG 10 1HD ARG 10 -5.322 2.186 13.297 69 HD3 ARG 10 2HD ARG 10 -3.923 2.665 14.287 70 HE ARG 10 HE ARG 10 -4.916 5.049 12.987 71 HH11 ARG 10 1HH1 ARG 10 -6.027 2.733 15.346 72 HH12 ARG 10 2HH1 ARG 10 -6.994 3.974 16.117 73 HH21 ARG 10 1HH2 ARG 10 -6.025 6.478 13.854 74 HH22 ARG 10 2HH2 ARG 10 -6.995 6.111 15.267 75 H ILE 11 H ILE 11 -2.658 -1.233 10.169 76 HA ILE 11 HA ILE 11 -0.389 -2.545 11.460 77 HB ILE 11 HB ILE 11 -2.422 -3.490 9.391 78 HG12 ILE 11 1HG1 ILE 11 -2.131 -4.243 12.283 79 HG13 ILE 11 2HG1 ILE 11 -3.193 -2.944 11.691 80 HG21 ILE 11 1HG2 ILE 11 -1.563 -5.762 9.845 81 HG22 ILE 11 2HG2 ILE 11 -0.296 -4.727 9.149 82 HG23 ILE 11 3HG2 ILE 11 -0.300 -5.076 10.892 83 HD11 ILE 11 3HD1 ILE 11 -3.373 -5.878 10.922 84 HD12 ILE 11 1HD1 ILE 11 -4.454 -5.030 12.050 85 HD13 ILE 11 2HD1 ILE 11 -4.435 -4.580 10.329 86 H PHE 12 H PHE 12 -1.091 -1.515 8.145 87 HA PHE 12 HA PHE 12 1.188 -2.990 7.079 88 HB2 PHE 12 1HB PHE 12 -0.613 -0.849 5.865 89 HB3 PHE 12 2HB PHE 12 0.632 -1.750 4.971 90 HD1 PHE 12 1HD PHE 12 -0.269 -4.220 6.976 91 HD2 PHE 12 2HD PHE 12 -2.051 -1.743 3.986 92 HE1 PHE 12 1HE PHE 12 -1.910 -6.001 6.480 93 HE2 PHE 12 2HE PHE 12 -3.694 -3.521 3.490 94 HZ PHE 12 HZ PHE 12 -3.624 -5.651 4.737 95 H ASP 13 H ASP 13 0.634 0.279 8.224 96 HA ASP 13 HA ASP 13 3.159 1.300 7.154 97 HB2 ASP 13 1HB ASP 13 1.064 2.757 7.719 98 HB3 ASP 13 2HB ASP 13 1.510 2.302 9.382 99 H LYS 14 H LYS 14 4.621 -0.300 7.863 100 HA LYS 14 HA LYS 14 4.994 -0.886 10.670 101 HB2 LYS 14 1HB LYS 14 6.773 -1.195 8.251 102 HB3 LYS 14 2HB LYS 14 7.212 -1.748 9.885 103 HG2 LYS 14 1HG LYS 14 5.276 -3.264 9.897 104 HG3 LYS 14 2HG LYS 14 4.824 -2.706 8.270 105 HD2 LYS 14 1HD LYS 14 6.967 -3.541 7.388 106 HD3 LYS 14 2HD LYS 14 7.416 -4.103 9.016 107 HE2 LYS 14 1HE LYS 14 5.515 -5.635 9.037 108 HE3 LYS 14 2HE LYS 14 4.997 -5.042 7.442 109 HZ1 LYS 14 3HZ LYS 14 7.533 -6.439 8.011 110 HZ2 LYS 14 1HZ LYS 14 6.217 -7.104 7.271 111 HZ3 LYS 14 2HZ LYS 14 7.053 -5.888 6.532 112 H ASP 15 H ASP 15 6.424 1.473 8.456 113 HA ASP 15 HA ASP 15 8.449 2.414 10.269 114 HB2 ASP 15 1HB ASP 15 7.052 3.814 7.911 115 HB3 ASP 15 2HB ASP 15 8.318 4.441 8.994 116 H GLY 16 H GLY 16 5.068 3.351 9.763 117 HA2 GLY 16 1HA GLY 16 3.631 4.282 11.358 118 HA3 GLY 16 2HA GLY 16 4.999 4.427 12.487 119 H ASN 17 H ASN 17 5.261 5.635 9.222 120 HA ASN 17 HA ASN 17 5.537 8.388 10.338 121 HB2 ASN 17 1HB ASN 17 6.969 8.857 8.320 122 HB3 ASN 17 2HB ASN 17 7.182 7.317 9.188 123 HD21 ASN 17 2HD2 ASN 17 8.176 7.736 6.653 124 HD22 ASN 17 1HD2 ASN 17 7.325 6.725 5.533 125 H GLY 18 H GLY 18 3.145 6.547 9.044 126 HA2 GLY 18 1HA GLY 18 0.973 7.323 8.574 127 HA3 GLY 18 2HA GLY 18 1.609 8.974 8.395 128 H PHE 19 H PHE 19 3.490 6.713 6.719 129 HA PHE 19 HA PHE 19 1.856 6.939 4.224 130 HB2 PHE 19 1HB PHE 19 4.828 7.579 4.483 131 HB3 PHE 19 2HB PHE 19 3.940 7.430 2.949 132 HD1 PHE 19 2HD PHE 19 2.283 9.091 2.308 133 HD2 PHE 19 1HD PHE 19 4.644 9.509 5.842 134 HE1 PHE 19 2HE PHE 19 1.702 11.492 2.408 135 HE2 PHE 19 1HE PHE 19 4.064 11.910 5.949 136 HZ PHE 19 HZ PHE 19 2.592 12.901 4.232 137 H ILE 20 H ILE 20 2.139 5.333 2.700 138 HA ILE 20 HA ILE 20 3.602 2.901 3.652 139 HB ILE 20 HB ILE 20 1.708 3.300 1.290 140 HG12 ILE 20 1HG1 ILE 20 0.551 3.527 3.370 141 HG13 ILE 20 2HG1 ILE 20 0.113 2.012 2.546 142 HG21 ILE 20 1HG2 ILE 20 1.757 0.833 1.150 143 HG22 ILE 20 2HG2 ILE 20 3.381 1.519 0.917 144 HG23 ILE 20 3HG2 ILE 20 2.943 0.780 2.475 145 HD11 ILE 20 3HD1 ILE 20 2.030 2.272 4.890 146 HD12 ILE 20 1HD1 ILE 20 0.360 1.665 4.973 147 HD13 ILE 20 2HD1 ILE 20 1.594 0.757 4.065 148 H ASP 21 H ASP 21 5.527 2.462 3.075 149 HA ASP 21 HA ASP 21 6.742 3.873 0.781 150 HB2 ASP 21 1HB ASP 21 7.866 3.136 3.166 151 HB3 ASP 21 2HB ASP 21 7.993 1.656 2.183 152 H ARG 22 H ARG 22 8.163 2.582 -0.698 153 HA ARG 22 HA ARG 22 6.508 0.795 -2.226 154 HB2 ARG 22 1HB ARG 22 8.226 2.193 -3.189 155 HB3 ARG 22 2HB ARG 22 9.463 1.182 -2.406 156 HG2 ARG 22 1HG ARG 22 8.646 -0.772 -3.683 157 HG3 ARG 22 2HG ARG 22 7.459 0.276 -4.496 158 HD2 ARG 22 1HD ARG 22 9.321 -0.137 -5.923 159 HD3 ARG 22 2HD ARG 22 9.287 1.575 -5.439 160 HE ARG 22 HE ARG 22 11.214 0.073 -3.801 161 HH11 ARG 22 1HH1 ARG 22 10.808 1.510 -6.952 162 HH12 ARG 22 2HH1 ARG 22 12.540 1.750 -7.072 163 HH21 ARG 22 1HH2 ARG 22 13.200 0.333 -3.927 164 HH22 ARG 22 2HH2 ARG 22 13.906 1.078 -5.348 165 H GLU 23 H GLU 23 9.206 0.209 0.015 166 HA GLU 23 HA GLU 23 9.165 -2.667 -0.341 167 HB2 GLU 23 1HB GLU 23 10.211 -0.876 1.853 168 HB3 GLU 23 2HB GLU 23 10.408 -2.645 1.833 169 HG2 GLU 23 1HG GLU 23 11.763 -2.452 -0.289 170 HG3 GLU 23 2HG GLU 23 11.376 -0.717 -0.236 171 H GLU 24 H GLU 24 7.569 -0.443 1.906 172 HA GLU 24 HA GLU 24 6.311 -2.496 3.495 173 HB2 GLU 24 1HB GLU 24 5.549 0.360 2.877 174 HB3 GLU 24 2HB GLU 24 4.681 -0.681 4.032 175 HG2 GLU 24 1HG GLU 24 6.901 -0.873 5.348 176 HG3 GLU 24 2HG GLU 24 7.505 0.282 4.138 177 H PHE 25 H PHE 25 5.380 -0.847 0.501 178 HA PHE 25 HA PHE 25 2.794 -2.095 0.265 179 HB2 PHE 25 1HB PHE 25 3.359 -0.154 -1.106 180 HB3 PHE 25 2HB PHE 25 4.712 -1.033 -1.854 181 HD1 PHE 25 1HD PHE 25 1.024 -1.355 -1.353 182 HD2 PHE 25 2HD PHE 25 4.399 -1.960 -3.901 183 HE1 PHE 25 1HE PHE 25 -0.478 -2.133 -3.155 184 HE2 PHE 25 2HE PHE 25 2.901 -2.736 -5.707 185 HZ PHE 25 HZ PHE 25 0.460 -2.824 -5.333 186 H GLY 26 H GLY 26 6.033 -3.065 -0.839 187 HA2 GLY 26 1HA GLY 26 5.344 -5.464 -2.142 188 HA3 GLY 26 2HA GLY 26 6.854 -5.189 -1.241 189 H ASP 27 H ASP 27 5.791 -4.796 1.331 190 HA ASP 27 HA ASP 27 5.291 -7.517 2.191 191 HB2 ASP 27 1HB ASP 27 5.093 -4.845 3.707 192 HB3 ASP 27 2HB ASP 27 4.762 -6.495 4.291 193 H ILE 28 H ILE 28 3.219 -4.663 1.760 194 HA ILE 28 HA ILE 28 0.802 -5.790 2.781 195 HB ILE 28 HB ILE 28 1.298 -3.780 0.542 196 HG12 ILE 28 1HG1 ILE 28 0.300 -3.387 3.350 197 HG13 ILE 28 2HG1 ILE 28 1.987 -3.177 2.827 198 HG21 ILE 28 1HG2 ILE 28 -1.103 -3.226 0.731 199 HG22 ILE 28 2HG2 ILE 28 -0.874 -4.910 0.206 200 HG23 ILE 28 3HG2 ILE 28 -1.318 -4.557 1.892 201 HD11 ILE 28 3HD1 ILE 28 -0.401 -1.603 1.801 202 HD12 ILE 28 1HD1 ILE 28 0.819 -1.011 2.952 203 HD13 ILE 28 2HD1 ILE 28 1.286 -1.393 1.278 204 H ILE 29 H ILE 29 2.276 -6.100 -0.419 205 HA ILE 29 HA ILE 29 0.129 -7.561 -1.633 206 HB ILE 29 HB ILE 29 3.144 -7.674 -2.081 207 HG12 ILE 29 1HG1 ILE 29 1.009 -6.408 -3.769 208 HG13 ILE 29 2HG1 ILE 29 1.919 -5.543 -2.508 209 HG21 ILE 29 1HG2 ILE 29 2.603 -8.811 -4.208 210 HG22 ILE 29 2HG2 ILE 29 2.070 -9.777 -2.812 211 HG23 ILE 29 3HG2 ILE 29 0.883 -8.844 -3.754 212 HD11 ILE 29 3HD1 ILE 29 3.113 -6.892 -4.956 213 HD12 ILE 29 1HD1 ILE 29 2.886 -5.142 -4.739 214 HD13 ILE 29 2HD1 ILE 29 4.024 -6.029 -3.696 215 H ARG 30 H ARG 30 2.869 -8.696 0.309 216 HA ARG 30 HA ARG 30 2.050 -11.480 0.141 217 HB2 ARG 30 1HB ARG 30 3.914 -10.038 1.963 218 HB3 ARG 30 2HB ARG 30 3.541 -11.774 2.086 219 HG2 ARG 30 1HG ARG 30 4.385 -12.120 -0.194 220 HG3 ARG 30 2HG ARG 30 4.755 -10.383 -0.322 221 HD2 ARG 30 1HD ARG 30 6.387 -10.578 1.422 222 HD3 ARG 30 2HD ARG 30 5.985 -12.297 1.635 223 HE ARG 30 HE ARG 30 6.951 -11.956 -1.071 224 HH11 ARG 30 1HH1 ARG 30 8.182 -11.696 2.181 225 HH12 ARG 30 2HH1 ARG 30 9.779 -12.150 1.619 226 HH21 ARG 30 1HH2 ARG 30 8.775 -12.470 -1.731 227 HH22 ARG 30 2HH2 ARG 30 10.119 -12.591 -0.612 228 H LEU 31 H LEU 31 1.231 -8.780 2.218 229 HA LEU 31 HA LEU 31 -0.021 -10.446 4.261 230 HB2 LEU 31 1HB LEU 31 -0.120 -7.599 3.522 231 HB3 LEU 31 2HB LEU 31 -0.979 -8.139 4.982 232 HG LEU 31 HG LEU 31 2.023 -8.297 4.502 233 HD11 LEU 31 1HD1 LEU 31 2.150 -6.582 6.329 234 HD12 LEU 31 2HD1 LEU 31 1.219 -5.978 4.939 235 HD13 LEU 31 3HD1 LEU 31 0.373 -6.546 6.398 236 HD21 LEU 31 3HD2 LEU 31 1.226 -10.152 5.846 237 HD22 LEU 31 1HD2 LEU 31 2.149 -9.021 6.862 238 HD23 LEU 31 2HD2 LEU 31 0.370 -9.034 6.934 239 H THR 32 H THR 32 -1.009 -9.032 1.241 240 HA THR 32 HA THR 32 -3.854 -9.709 1.798 241 HB THR 32 HB THR 32 -4.286 -8.731 -0.437 242 HG1 THR 32 1HG THR 32 -2.487 -7.712 -1.504 243 HG21 THR 32 1HG2 THR 32 -3.686 -6.396 0.100 244 HG22 THR 32 2HG2 THR 32 -4.280 -7.252 1.543 245 HG23 THR 32 3HG2 THR 32 -2.536 -6.975 1.329 246 H GLY 33 H GLY 33 -1.044 -11.055 0.360 247 HA2 GLY 33 1HA GLY 33 -0.809 -13.327 -0.154 248 HA3 GLY 33 2HA GLY 33 -2.575 -13.521 -0.044 249 H GLU 34 H GLU 34 -0.893 -11.105 -2.006 250 HA GLU 34 HA GLU 34 -2.049 -12.387 -4.451 251 HB2 GLU 34 1HB GLU 34 -1.003 -9.593 -3.965 252 HB3 GLU 34 2HB GLU 34 -1.650 -10.208 -5.505 253 HG2 GLU 34 1HG GLU 34 -3.254 -9.794 -2.912 254 HG3 GLU 34 2HG GLU 34 -3.260 -8.875 -4.434 255 H GLN 35 H GLN 35 -0.868 -12.692 -6.305 256 HA GLN 35 HA GLN 35 2.064 -12.980 -5.812 257 HB2 GLN 35 1HB GLN 35 0.264 -14.112 -7.965 258 HB3 GLN 35 2HB GLN 35 2.014 -14.402 -7.819 259 HG2 GLN 35 1HG GLN 35 -0.109 -15.530 -5.793 260 HG3 GLN 35 2HG GLN 35 0.853 -16.156 -7.153 261 HE21 GLN 35 2HE2 GLN 35 0.712 -15.687 -3.816 262 HE22 GLN 35 1HE2 GLN 35 2.379 -15.971 -3.438 263 H LEU 36 H LEU 36 3.015 -11.101 -6.207 264 HA LEU 36 HA LEU 36 2.686 -10.009 -8.974 265 HB2 LEU 36 1HB LEU 36 2.855 -8.628 -6.380 266 HB3 LEU 36 2HB LEU 36 3.024 -7.688 -7.880 267 HG LEU 36 HG LEU 36 0.561 -9.249 -7.009 268 HD11 LEU 36 1HD1 LEU 36 -0.489 -6.982 -6.786 269 HD12 LEU 36 2HD1 LEU 36 0.908 -7.157 -5.699 270 HD13 LEU 36 3HD1 LEU 36 1.068 -6.236 -7.213 271 HD21 LEU 36 3HD2 LEU 36 0.829 -9.255 -9.419 272 HD22 LEU 36 1HD2 LEU 36 -0.532 -8.204 -8.962 273 HD23 LEU 36 2HD2 LEU 36 1.029 -7.487 -9.430 274 H THR 37 H THR 37 4.459 -8.992 -9.884 275 HA THR 37 HA THR 37 6.992 -10.186 -8.941 276 HB THR 37 HB THR 37 7.919 -9.464 -11.058 277 HG1 THR 37 1HG THR 37 6.415 -8.258 -12.500 278 HG21 THR 37 1HG2 THR 37 6.384 -10.565 -12.651 279 HG22 THR 37 2HG2 THR 37 6.488 -11.478 -11.126 280 HG23 THR 37 3HG2 THR 37 5.069 -10.457 -11.457 281 H ASP 38 H ASP 38 9.003 -8.854 -9.144 282 HA ASP 38 HA ASP 38 8.928 -6.640 -7.326 283 HB2 ASP 38 1HB ASP 38 11.097 -7.496 -9.335 284 HB3 ASP 38 2HB ASP 38 11.108 -6.146 -8.173 285 H GLU 39 H GLU 39 8.798 -6.809 -10.852 286 HA GLU 39 HA GLU 39 8.916 -3.936 -11.243 287 HB2 GLU 39 1HB GLU 39 7.837 -6.203 -12.920 288 HB3 GLU 39 2HB GLU 39 7.876 -4.504 -13.449 289 HG2 GLU 39 1HG GLU 39 10.399 -4.537 -13.298 290 HG3 GLU 39 2HG GLU 39 10.217 -6.185 -12.655 291 H ASP 40 H ASP 40 6.292 -6.251 -10.713 292 HA ASP 40 HA ASP 40 4.134 -4.394 -11.077 293 HB2 ASP 40 1HB ASP 40 4.303 -6.911 -9.311 294 HB3 ASP 40 2HB ASP 40 2.926 -5.821 -9.609 295 H VAL 41 H VAL 41 6.145 -5.174 -8.263 296 HA VAL 41 HA VAL 41 4.719 -3.640 -6.311 297 HB VAL 41 HB VAL 41 7.699 -4.206 -6.599 298 HG11 VAL 41 1HG1 VAL 41 7.844 -3.569 -4.213 299 HG12 VAL 41 2HG1 VAL 41 7.296 -2.200 -5.210 300 HG13 VAL 41 3HG1 VAL 41 6.124 -3.114 -4.230 301 HG21 VAL 41 3HG2 VAL 41 6.357 -6.207 -6.342 302 HG22 VAL 41 1HG2 VAL 41 7.302 -5.885 -4.869 303 HG23 VAL 41 2HG2 VAL 41 5.561 -5.513 -4.909 304 H ASP 42 H ASP 42 7.440 -2.609 -8.381 305 HA ASP 42 HA ASP 42 7.340 0.096 -7.335 306 HB2 ASP 42 1HB ASP 42 9.426 -1.030 -8.407 307 HB3 ASP 42 2HB ASP 42 8.438 -0.904 -9.883 308 H GLU 43 H GLU 43 6.095 -1.464 -10.272 309 HA GLU 43 HA GLU 43 5.270 0.988 -11.540 310 HB2 GLU 43 1HB GLU 43 5.608 -1.145 -12.714 311 HB3 GLU 43 2HB GLU 43 4.204 -1.824 -11.856 312 HG2 GLU 43 1HG GLU 43 2.718 -0.125 -13.018 313 HG3 GLU 43 2HG GLU 43 4.219 0.499 -13.737 314 H ILE 44 H ILE 44 3.444 -1.419 -9.635 315 HA ILE 44 HA ILE 44 0.968 0.101 -9.742 316 HB ILE 44 HB ILE 44 1.938 -2.101 -7.866 317 HG12 ILE 44 1HG1 ILE 44 -0.088 -2.217 -10.081 318 HG13 ILE 44 2HG1 ILE 44 1.631 -2.637 -10.270 319 HG21 ILE 44 1HG2 ILE 44 -0.426 -2.283 -7.164 320 HG22 ILE 44 2HG2 ILE 44 0.239 -0.683 -6.764 321 HG23 ILE 44 3HG2 ILE 44 -0.834 -0.876 -8.171 322 HD11 ILE 44 3HD1 ILE 44 -0.335 -3.989 -8.388 323 HD12 ILE 44 1HD1 ILE 44 0.254 -4.652 -9.929 324 HD13 ILE 44 2HD1 ILE 44 1.384 -4.410 -8.575 325 H PHE 45 H PHE 45 3.593 -0.093 -7.374 326 HA PHE 45 HA PHE 45 2.477 1.634 -5.420 327 HB2 PHE 45 1HB PHE 45 4.581 0.426 -5.036 328 HB3 PHE 45 2HB PHE 45 5.376 1.358 -6.324 329 HD1 PHE 45 1HD PHE 45 3.906 1.540 -2.948 330 HD2 PHE 45 2HD PHE 45 6.228 3.512 -5.943 331 HE1 PHE 45 1HE PHE 45 4.596 3.240 -1.291 332 HE2 PHE 45 2HE PHE 45 6.923 5.212 -4.288 333 HZ PHE 45 HZ PHE 45 6.104 5.077 -1.962 334 H GLY 46 H GLY 46 4.378 2.463 -8.323 335 HA2 GLY 46 1HA GLY 46 4.315 5.289 -7.866 336 HA3 GLY 46 2HA GLY 46 4.630 4.483 -9.420 337 H ASP 47 H ASP 47 2.121 3.048 -9.509 338 HA ASP 47 HA ASP 47 0.410 5.082 -10.656 339 HB2 ASP 47 1HB ASP 47 -0.120 2.123 -9.996 340 HB3 ASP 47 2HB ASP 47 -1.227 3.332 -10.691 341 H SER 48 H SER 48 0.520 3.449 -7.533 342 HA SER 48 HA SER 48 -2.016 4.593 -6.545 343 HB2 SER 48 1HB SER 48 0.199 3.219 -5.150 344 HB3 SER 48 2HB SER 48 -1.348 3.747 -4.451 345 HG SER 48 HG SER 48 -1.019 1.933 -6.608 346 H ASP 49 H ASP 49 1.414 5.459 -6.600 347 HA ASP 49 HA ASP 49 1.137 7.613 -4.636 348 HB2 ASP 49 1HB ASP 49 3.362 6.369 -5.161 349 HB3 ASP 49 2HB ASP 49 3.170 7.190 -6.729 350 H THR 50 H THR 50 -0.749 8.624 -5.548 351 HA THR 50 HA THR 50 -0.770 9.750 -8.184 352 HB THR 50 HB THR 50 -2.262 10.638 -5.677 353 HG1 THR 50 1HG THR 50 -3.950 9.380 -6.667 354 HG21 THR 50 1HG2 THR 50 -3.828 11.698 -7.267 355 HG22 THR 50 2HG2 THR 50 -2.195 12.393 -7.417 356 HG23 THR 50 3HG2 THR 50 -2.778 11.220 -8.621 357 H ASP 51 H ASP 51 0.312 11.043 -5.070 358 HA ASP 51 HA ASP 51 0.806 13.711 -6.125 359 HB2 ASP 51 1HB ASP 51 1.749 12.336 -3.538 360 HB3 ASP 51 2HB ASP 51 2.135 13.965 -4.148 361 H LYS 52 H LYS 52 2.432 10.740 -6.410 362 HA LYS 52 HA LYS 52 4.557 10.173 -7.167 363 HB2 LYS 52 1HB LYS 52 4.444 12.936 -8.382 364 HB3 LYS 52 2HB LYS 52 5.524 11.605 -8.858 365 HG2 LYS 52 1HG LYS 52 2.498 11.481 -9.047 366 HG3 LYS 52 2HG LYS 52 3.552 11.983 -10.390 367 HD2 LYS 52 1HD LYS 52 4.720 9.805 -10.267 368 HD3 LYS 52 2HD LYS 52 3.623 9.305 -8.957 369 HE2 LYS 52 1HE LYS 52 1.701 9.594 -10.486 370 HE3 LYS 52 2HE LYS 52 2.825 10.027 -11.794 371 HZ1 LYS 52 3HZ LYS 52 2.755 7.439 -10.379 372 HZ2 LYS 52 1HZ LYS 52 2.183 7.715 -11.901 373 HZ3 LYS 52 2HZ LYS 52 3.799 7.840 -11.592 374 H ASN 53 H ASN 53 4.520 11.057 -4.566 375 HA ASN 53 HA ASN 53 6.897 12.872 -4.372 376 HB2 ASN 53 1HB ASN 53 6.009 13.584 -2.136 377 HB3 ASN 53 2HB ASN 53 4.857 13.428 -3.486 378 HD21 ASN 53 2HD2 ASN 53 4.051 13.560 -0.852 379 HD22 ASN 53 1HD2 ASN 53 3.362 12.038 -0.391 380 H GLY 54 H GLY 54 6.261 9.686 -4.508 381 HA2 GLY 54 1HA GLY 54 7.999 8.079 -4.232 382 HA3 GLY 54 2HA GLY 54 8.752 9.118 -3.000 383 H ARG 55 H ARG 55 5.570 9.216 -2.280 384 HA ARG 55 HA ARG 55 5.549 6.680 -0.704 385 HB2 ARG 55 1HB ARG 55 5.138 9.390 0.479 386 HB3 ARG 55 2HB ARG 55 4.786 7.833 1.266 387 HG2 ARG 55 1HG ARG 55 7.532 8.648 0.278 388 HG3 ARG 55 2HG ARG 55 6.962 8.907 1.945 389 HD2 ARG 55 1HD ARG 55 6.613 6.476 2.128 390 HD3 ARG 55 2HD ARG 55 7.367 6.295 0.527 391 HE ARG 55 HE ARG 55 8.883 6.833 3.032 392 HH11 ARG 55 1HH1 ARG 55 8.961 6.814 -0.453 393 HH12 ARG 55 2HH1 ARG 55 10.713 6.785 -0.420 394 HH21 ARG 55 1HH2 ARG 55 10.890 6.792 3.087 395 HH22 ARG 55 2HH2 ARG 55 11.814 6.771 1.598 396 H ILE 56 H ILE 56 3.533 5.948 -0.048 397 HA ILE 56 HA ILE 56 1.222 7.207 -1.487 398 HB ILE 56 HB ILE 56 1.556 4.466 -0.185 399 HG12 ILE 56 1HG1 ILE 56 1.178 5.214 -3.073 400 HG13 ILE 56 2HG1 ILE 56 2.735 4.816 -2.310 401 HG21 ILE 56 1HG2 ILE 56 -0.694 3.992 -1.092 402 HG22 ILE 56 2HG2 ILE 56 -0.745 5.331 0.076 403 HG23 ILE 56 3HG2 ILE 56 -0.816 5.670 -1.670 404 HD11 ILE 56 3HD1 ILE 56 0.341 2.959 -2.539 405 HD12 ILE 56 1HD1 ILE 56 1.818 2.878 -3.524 406 HD13 ILE 56 2HD1 ILE 56 1.897 2.560 -1.775 407 H ASP 57 H ASP 57 -0.088 8.468 -0.527 408 HA ASP 57 HA ASP 57 -0.009 8.749 2.391 409 HB2 ASP 57 1HB ASP 57 -0.528 10.587 0.409 410 HB3 ASP 57 2HB ASP 57 -2.123 9.873 0.756 411 H PHE 58 H PHE 58 -2.182 9.016 3.532 412 HA PHE 58 HA PHE 58 -3.459 6.436 3.608 413 HB2 PHE 58 1HB PHE 58 -3.366 7.873 5.599 414 HB3 PHE 58 2HB PHE 58 -4.332 9.117 4.773 415 HD1 PHE 58 1HD PHE 58 -4.454 5.561 5.871 416 HD2 PHE 58 2HD PHE 58 -6.610 9.141 4.984 417 HE1 PHE 58 1HE PHE 58 -6.528 4.523 6.731 418 HE2 PHE 58 2HE PHE 58 -8.685 8.107 5.846 419 HZ PHE 58 HZ PHE 58 -8.643 5.797 6.718 420 H ASP 59 H ASP 59 -4.525 9.580 2.305 421 HA ASP 59 HA ASP 59 -7.042 8.651 1.304 422 HB2 ASP 59 1HB ASP 59 -5.238 10.947 0.333 423 HB3 ASP 59 2HB ASP 59 -6.831 10.433 -0.277 424 H GLU 60 H GLU 60 -3.808 8.711 -0.167 425 HA GLU 60 HA GLU 60 -4.686 7.485 -2.650 426 HB2 GLU 60 1HB GLU 60 -1.998 7.675 -1.289 427 HB3 GLU 60 2HB GLU 60 -2.259 6.957 -2.897 428 HG2 GLU 60 1HG GLU 60 -2.934 9.159 -3.815 429 HG3 GLU 60 2HG GLU 60 -3.007 9.744 -2.137 430 H PHE 61 H PHE 61 -3.687 6.270 0.489 431 HA PHE 61 HA PHE 61 -3.333 3.524 -0.294 432 HB2 PHE 61 1HB PHE 61 -2.511 4.317 1.868 433 HB3 PHE 61 2HB PHE 61 -4.160 4.753 2.371 434 HD1 PHE 61 1HD PHE 61 -1.861 1.969 1.663 435 HD2 PHE 61 2HD PHE 61 -5.672 3.142 3.195 436 HE1 PHE 61 1HE PHE 61 -2.156 -0.280 2.646 437 HE2 PHE 61 2HE PHE 61 -5.970 0.896 4.183 438 HZ PHE 61 HZ PHE 61 -4.211 -0.817 3.906 439 H LEU 62 H LEU 62 -6.179 5.343 0.815 440 HA LEU 62 HA LEU 62 -7.971 3.119 0.896 441 HB2 LEU 62 1HB LEU 62 -8.304 5.979 0.280 442 HB3 LEU 62 2HB LEU 62 -9.748 4.973 0.536 443 HG LEU 62 HG LEU 62 -7.575 5.552 2.586 444 HD11 LEU 62 1HD1 LEU 62 -9.384 6.822 3.771 445 HD12 LEU 62 2HD1 LEU 62 -9.067 7.503 2.158 446 HD13 LEU 62 3HD1 LEU 62 -10.492 6.470 2.425 447 HD21 LEU 62 3HD2 LEU 62 -8.498 3.328 2.859 448 HD22 LEU 62 1HD2 LEU 62 -9.057 4.383 4.179 449 HD23 LEU 62 2HD2 LEU 62 -10.154 3.980 2.836 450 H LYS 63 H LYS 63 -7.006 5.248 -1.765 451 HA LYS 63 HA LYS 63 -8.850 4.029 -3.663 452 HB2 LYS 63 1HB LYS 63 -6.372 5.722 -4.001 453 HB3 LYS 63 2HB LYS 63 -7.410 5.179 -5.341 454 HG2 LYS 63 1HG LYS 63 -9.306 6.415 -4.387 455 HG3 LYS 63 2HG LYS 63 -8.288 6.940 -3.026 456 HD2 LYS 63 1HD LYS 63 -6.784 8.094 -4.619 457 HD3 LYS 63 2HD LYS 63 -7.850 7.604 -5.957 458 HE2 LYS 63 1HE LYS 63 -9.701 8.858 -4.962 459 HE3 LYS 63 2HE LYS 63 -8.666 9.321 -3.592 460 HZ1 LYS 63 3HZ LYS 63 -8.219 10.072 -6.409 461 HZ2 LYS 63 1HZ LYS 63 -8.804 11.068 -5.233 462 HZ3 LYS 63 2HZ LYS 63 -7.258 10.502 -5.139 463 H MET 64 H MET 64 -5.481 3.498 -2.738 464 HA MET 64 HA MET 64 -4.866 1.590 -4.796 465 HB2 MET 64 1HB MET 64 -3.188 2.667 -3.399 466 HB3 MET 64 2HB MET 64 -3.844 1.843 -1.965 467 HG2 MET 64 1HG MET 64 -3.239 -0.333 -2.956 468 HG3 MET 64 2HG MET 64 -2.553 0.509 -4.365 469 HE1 MET 64 3HE MET 64 -2.078 -0.634 -0.701 470 HE2 MET 64 1HE MET 64 -0.780 0.422 -0.095 471 HE3 MET 64 2HE MET 64 -2.395 1.097 -0.428 472 H MET 65 H MET 65 -6.247 1.202 -1.542 473 HA MET 65 HA MET 65 -6.433 -1.706 -1.827 474 HB2 MET 65 1HB MET 65 -7.631 0.254 0.129 475 HB3 MET 65 2HB MET 65 -7.805 -1.516 0.232 476 HG2 MET 65 1HG MET 65 -5.217 0.061 0.403 477 HG3 MET 65 2HG MET 65 -6.066 -0.720 1.758 478 HE1 MET 65 3HE MET 65 -7.000 -3.478 0.701 479 HE2 MET 65 1HE MET 65 -5.593 -4.511 1.054 480 HE3 MET 65 2HE MET 65 -6.104 -3.271 2.226 481 H GLU 66 H GLU 66 -8.515 1.044 -2.465 482 HA GLU 66 HA GLU 66 -10.935 -0.409 -2.959 483 HB2 GLU 66 1HB GLU 66 -10.786 2.033 -2.823 484 HB3 GLU 66 2HB GLU 66 -9.833 2.052 -4.327 485 HG2 GLU 66 1HG GLU 66 -11.852 1.110 -5.561 486 HG3 GLU 66 2HG GLU 66 -12.649 1.112 -3.970 487 H ASN 67 H ASN 67 -8.126 0.259 -5.027 488 HA ASN 67 HA ASN 67 -9.253 -1.705 -6.994 489 HB2 ASN 67 1HB ASN 67 -7.028 0.371 -7.630 490 HB3 ASN 67 2HB ASN 67 -7.818 -1.000 -8.445 491 HD21 ASN 67 2HD2 ASN 67 -7.975 2.307 -7.630 492 HD22 ASN 67 1HD2 ASN 67 -9.509 2.659 -8.353 493 H VAL 68 H VAL 68 -8.095 -2.524 -4.509 494 HA VAL 68 HA VAL 68 -5.357 -3.364 -4.797 495 HB VAL 68 HB VAL 68 -6.706 -3.434 -2.651 496 HG11 VAL 68 1HG1 VAL 68 -8.099 -5.441 -2.268 497 HG12 VAL 68 2HG1 VAL 68 -8.759 -4.444 -3.586 498 HG13 VAL 68 3HG1 VAL 68 -7.856 -5.933 -3.961 499 HG21 VAL 68 3HG2 VAL 68 -4.557 -4.538 -2.844 500 HG22 VAL 68 1HG2 VAL 68 -5.671 -5.494 -1.838 501 HG23 VAL 68 2HG2 VAL 68 -5.341 -5.987 -3.517 502 H GLN 69 H GLN 69 -4.341 -5.017 -5.635 503 HA GLN 69 HA GLN 69 -5.340 -6.288 -7.938 504 HB2 GLN 69 1HB GLN 69 -2.972 -6.182 -7.308 505 HB3 GLN 69 2HB GLN 69 -3.286 -7.305 -5.963 506 HG2 GLN 69 1HG GLN 69 -2.424 -8.841 -7.840 507 HG3 GLN 69 2HG GLN 69 -4.180 -8.785 -7.559 508 HE21 GLN 69 2HE2 GLN 69 -4.229 -9.723 -9.753 509 HE22 GLN 69 1HE2 GLN 69 -4.184 -8.651 -11.113 Start of MODEL 10 1 H1 SER 1 1H SER 1 -16.300 1.084 3.942 2 H2 SER 1 2H SER 1 -16.114 0.121 5.076 3 H3 SER 1 3H SER 1 -15.577 1.518 5.182 4 HA SER 1 HA SER 1 -14.098 -0.744 4.112 5 HB2 SER 1 1HB SER 1 -14.561 1.419 2.147 6 HB3 SER 1 2HB SER 1 -13.414 0.063 2.031 7 HG SER 1 HG SER 1 -15.396 -0.357 0.964 8 H GLU 2 H GLU 2 -14.282 2.816 4.405 9 HA GLU 2 HA GLU 2 -11.431 3.245 4.382 10 HB2 GLU 2 1HB GLU 2 -13.739 4.886 5.431 11 HB3 GLU 2 2HB GLU 2 -12.048 5.444 5.407 12 HG2 GLU 2 1HG GLU 2 -12.053 5.287 2.884 13 HG3 GLU 2 2HG GLU 2 -13.690 4.612 3.051 14 H GLU 3 H GLU 3 -13.755 2.613 6.961 15 HA GLU 3 HA GLU 3 -11.891 3.165 9.115 16 HB2 GLU 3 1HB GLU 3 -14.445 1.565 8.957 17 HB3 GLU 3 2HB GLU 3 -13.526 1.825 10.458 18 HG2 GLU 3 1HG GLU 3 -13.936 4.310 10.255 19 HG3 GLU 3 2HG GLU 3 -14.713 3.931 8.701 20 H GLU 4 H GLU 4 -12.769 0.269 7.287 21 HA GLU 4 HA GLU 4 -11.149 -1.521 8.906 22 HB2 GLU 4 1HB GLU 4 -12.253 -1.704 6.101 23 HB3 GLU 4 2HB GLU 4 -11.349 -3.010 6.905 24 HG2 GLU 4 1HG GLU 4 -13.163 -3.144 8.668 25 HG3 GLU 4 2HG GLU 4 -13.906 -1.764 7.825 26 H LEU 5 H LEU 5 -10.585 0.346 5.945 27 HA LEU 5 HA LEU 5 -7.894 -0.731 5.592 28 HB2 LEU 5 1HB LEU 5 -9.396 1.576 4.553 29 HB3 LEU 5 2HB LEU 5 -7.758 1.270 3.929 30 HG LEU 5 HG LEU 5 -10.190 -0.537 3.649 31 HD11 LEU 5 1HD1 LEU 5 -9.896 -0.082 1.199 32 HD12 LEU 5 2HD1 LEU 5 -10.177 1.422 2.107 33 HD13 LEU 5 3HD1 LEU 5 -8.532 0.995 1.579 34 HD21 LEU 5 3HD2 LEU 5 -8.184 -1.856 3.984 35 HD22 LEU 5 1HD2 LEU 5 -8.727 -1.996 2.295 36 HD23 LEU 5 2HD2 LEU 5 -7.341 -0.954 2.703 37 H SER 6 H SER 6 -9.320 1.891 7.383 38 HA SER 6 HA SER 6 -6.945 3.412 8.018 39 HB2 SER 6 1HB SER 6 -9.094 4.228 8.419 40 HB3 SER 6 2HB SER 6 -9.392 2.944 9.613 41 HG SER 6 HG SER 6 -8.684 4.900 10.569 42 H GLU 7 H GLU 7 -8.502 0.568 9.560 43 HA GLU 7 HA GLU 7 -6.485 0.246 11.604 44 HB2 GLU 7 1HB GLU 7 -8.475 -1.660 10.369 45 HB3 GLU 7 2HB GLU 7 -7.411 -2.074 11.734 46 HG2 GLU 7 1HG GLU 7 -8.538 -0.322 13.142 47 HG3 GLU 7 2HG GLU 7 -9.415 0.141 11.666 48 H CYS 8 H CYS 8 -6.912 -1.174 8.374 49 HA CYS 8 HA CYS 8 -4.644 -2.964 8.421 50 HB2 CYS 8 1HB CYS 8 -6.230 -1.430 6.321 51 HB3 CYS 8 2HB CYS 8 -5.015 -2.670 5.925 52 HG CYS 8 HG CYS 8 -7.359 -3.564 5.535 53 H PHE 9 H PHE 9 -5.048 0.468 7.498 54 HA PHE 9 HA PHE 9 -2.418 0.890 6.466 55 HB2 PHE 9 1HB PHE 9 -4.293 2.503 6.176 56 HB3 PHE 9 2HB PHE 9 -4.227 2.871 7.915 57 HD1 PHE 9 1HD PHE 9 -2.352 3.075 4.734 58 HD2 PHE 9 2HD PHE 9 -2.690 4.396 8.783 59 HE1 PHE 9 1HE PHE 9 -0.680 4.842 4.296 60 HE2 PHE 9 2HE PHE 9 -1.021 6.166 8.348 61 HZ PHE 9 HZ PHE 9 -0.014 6.387 6.103 62 H ARG 10 H ARG 10 -3.688 1.378 9.768 63 HA ARG 10 HA ARG 10 -1.241 2.105 11.003 64 HB2 ARG 10 1HB ARG 10 -3.327 2.289 12.120 65 HB3 ARG 10 2HB ARG 10 -3.503 0.519 12.135 66 HG2 ARG 10 1HG ARG 10 -1.531 0.320 13.572 67 HG3 ARG 10 2HG ARG 10 -1.316 2.087 13.536 68 HD2 ARG 10 1HD ARG 10 -3.374 2.396 14.708 69 HD3 ARG 10 2HD ARG 10 -3.694 0.646 14.664 70 HE ARG 10 HE ARG 10 -1.236 1.121 16.159 71 HH11 ARG 10 1HH1 ARG 10 -4.679 1.576 16.465 72 HH12 ARG 10 2HH1 ARG 10 -4.550 1.425 18.206 73 HH21 ARG 10 1HH2 ARG 10 -1.071 0.955 18.152 74 HH22 ARG 10 2HH2 ARG 10 -2.494 1.073 19.170 75 H ILE 11 H ILE 11 -2.558 -1.130 10.323 76 HA ILE 11 HA ILE 11 -0.363 -2.534 11.605 77 HB ILE 11 HB ILE 11 -2.397 -3.396 9.499 78 HG12 ILE 11 1HG1 ILE 11 -2.223 -4.135 12.405 79 HG13 ILE 11 2HG1 ILE 11 -3.188 -2.775 11.780 80 HG21 ILE 11 1HG2 ILE 11 -1.670 -5.703 10.004 81 HG22 ILE 11 2HG2 ILE 11 -0.332 -4.745 9.330 82 HG23 ILE 11 3HG2 ILE 11 -0.400 -5.070 11.078 83 HD11 ILE 11 3HD1 ILE 11 -3.532 -5.697 11.019 84 HD12 ILE 11 1HD1 ILE 11 -4.584 -4.776 12.117 85 HD13 ILE 11 2HD1 ILE 11 -4.495 -4.338 10.394 86 H PHE 12 H PHE 12 -0.958 -1.513 8.266 87 HA PHE 12 HA PHE 12 1.296 -3.071 7.265 88 HB2 PHE 12 1HB PHE 12 -0.364 -0.859 5.976 89 HB3 PHE 12 2HB PHE 12 0.825 -1.876 5.132 90 HD1 PHE 12 1HD PHE 12 -0.309 -4.196 7.213 91 HD2 PHE 12 2HD PHE 12 -1.814 -1.717 4.077 92 HE1 PHE 12 1HE PHE 12 -2.068 -5.866 6.742 93 HE2 PHE 12 2HE PHE 12 -3.578 -3.385 3.603 94 HZ PHE 12 HZ PHE 12 -3.703 -5.461 4.935 95 H ASP 13 H ASP 13 0.785 0.291 8.221 96 HA ASP 13 HA ASP 13 3.495 1.090 7.442 97 HB2 ASP 13 1HB ASP 13 1.460 2.713 7.664 98 HB3 ASP 13 2HB ASP 13 1.646 2.309 9.388 99 H LYS 14 H LYS 14 4.703 -0.608 8.418 100 HA LYS 14 HA LYS 14 4.464 -1.134 11.266 101 HB2 LYS 14 1HB LYS 14 6.542 -1.888 9.208 102 HB3 LYS 14 2HB LYS 14 6.549 -2.449 10.898 103 HG2 LYS 14 1HG LYS 14 4.439 -3.609 10.568 104 HG3 LYS 14 2HG LYS 14 4.308 -2.963 8.914 105 HD2 LYS 14 1HD LYS 14 6.373 -4.166 8.290 106 HD3 LYS 14 2HD LYS 14 6.476 -4.828 9.939 107 HE2 LYS 14 1HE LYS 14 4.385 -6.011 9.651 108 HE3 LYS 14 2HE LYS 14 4.132 -5.253 8.062 109 HZ1 LYS 14 3HZ LYS 14 6.322 -7.107 8.747 110 HZ2 LYS 14 1HZ LYS 14 4.988 -7.487 7.854 111 HZ3 LYS 14 2HZ LYS 14 6.088 -6.404 7.273 112 H ASP 15 H ASP 15 6.458 0.973 9.304 113 HA ASP 15 HA ASP 15 8.331 1.507 11.515 114 HB2 ASP 15 1HB ASP 15 8.059 2.778 8.724 115 HB3 ASP 15 2HB ASP 15 9.156 3.204 10.062 116 H GLY 16 H GLY 16 5.302 2.707 10.430 117 HA2 GLY 16 1HA GLY 16 3.954 4.355 11.360 118 HA3 GLY 16 2HA GLY 16 5.202 4.633 12.597 119 H ASN 17 H ASN 17 5.433 4.825 9.041 120 HA ASN 17 HA ASN 17 6.891 7.371 9.312 121 HB2 ASN 17 1HB ASN 17 6.316 5.786 6.696 122 HB3 ASN 17 2HB ASN 17 7.069 7.343 7.117 123 HD21 ASN 17 2HD2 ASN 17 8.074 4.773 5.923 124 HD22 ASN 17 1HD2 ASN 17 9.466 4.369 6.873 125 H GLY 18 H GLY 18 3.658 6.386 8.761 126 HA2 GLY 18 1HA GLY 18 1.830 7.915 8.731 127 HA3 GLY 18 2HA GLY 18 2.927 9.202 8.180 128 H PHE 19 H PHE 19 3.463 6.278 6.550 129 HA PHE 19 HA PHE 19 1.426 6.511 4.492 130 HB2 PHE 19 1HB PHE 19 2.918 7.242 2.661 131 HB3 PHE 19 2HB PHE 19 2.783 8.508 3.902 132 HD1 PHE 19 1HD PHE 19 4.966 5.934 2.442 133 HD2 PHE 19 2HD PHE 19 4.650 9.206 5.170 134 HE1 PHE 19 1HE PHE 19 7.431 6.029 2.610 135 HE2 PHE 19 2HE PHE 19 7.115 9.307 5.340 136 HZ PHE 19 HZ PHE 19 8.505 7.715 4.059 137 H ILE 20 H ILE 20 1.902 5.114 2.605 138 HA ILE 20 HA ILE 20 3.508 2.734 3.479 139 HB ILE 20 HB ILE 20 1.378 3.000 1.308 140 HG12 ILE 20 1HG1 ILE 20 0.396 3.216 3.466 141 HG13 ILE 20 2HG1 ILE 20 -0.016 1.646 2.740 142 HG21 ILE 20 1HG2 ILE 20 1.528 0.535 1.205 143 HG22 ILE 20 2HG2 ILE 20 3.089 1.288 0.806 144 HG23 ILE 20 3HG2 ILE 20 2.837 0.563 2.410 145 HD11 ILE 20 3HD1 ILE 20 2.085 2.118 4.883 146 HD12 ILE 20 1HD1 ILE 20 0.473 1.413 5.144 147 HD13 ILE 20 2HD1 ILE 20 1.674 0.547 4.157 148 H ASP 21 H ASP 21 5.409 2.437 2.749 149 HA ASP 21 HA ASP 21 6.163 3.652 0.131 150 HB2 ASP 21 1HB ASP 21 7.616 3.596 2.486 151 HB3 ASP 21 2HB ASP 21 7.978 2.039 1.702 152 H ARG 22 H ARG 22 7.906 2.192 -1.014 153 HA ARG 22 HA ARG 22 6.533 -0.103 -2.064 154 HB2 ARG 22 1HB ARG 22 9.382 0.754 -2.265 155 HB3 ARG 22 2HB ARG 22 8.703 -0.682 -3.065 156 HG2 ARG 22 1HG ARG 22 7.124 0.744 -4.293 157 HG3 ARG 22 2HG ARG 22 7.794 2.183 -3.486 158 HD2 ARG 22 1HD ARG 22 9.380 0.339 -5.239 159 HD3 ARG 22 2HD ARG 22 8.551 1.806 -5.811 160 HE ARG 22 HE ARG 22 10.368 2.674 -3.770 161 HH11 ARG 22 1HH1 ARG 22 10.634 1.037 -6.837 162 HH12 ARG 22 2HH1 ARG 22 12.214 1.751 -7.089 163 HH21 ARG 22 1HH2 ARG 22 12.180 3.493 -4.039 164 HH22 ARG 22 2HH2 ARG 22 13.097 3.151 -5.493 165 H GLU 23 H GLU 23 8.619 0.327 0.683 166 HA GLU 23 HA GLU 23 9.352 -2.478 0.943 167 HB2 GLU 23 1HB GLU 23 9.352 -0.154 2.872 168 HB3 GLU 23 2HB GLU 23 9.948 -1.785 3.270 169 HG2 GLU 23 1HG GLU 23 11.722 -1.546 1.479 170 HG3 GLU 23 2HG GLU 23 10.957 0.016 1.109 171 H GLU 24 H GLU 24 6.882 -0.408 2.461 172 HA GLU 24 HA GLU 24 5.744 -2.577 4.021 173 HB2 GLU 24 1HB GLU 24 4.705 0.115 3.139 174 HB3 GLU 24 2HB GLU 24 3.781 -1.013 4.159 175 HG2 GLU 24 1HG GLU 24 4.777 0.351 5.841 176 HG3 GLU 24 2HG GLU 24 5.922 -0.987 5.590 177 H PHE 25 H PHE 25 5.118 -1.244 0.810 178 HA PHE 25 HA PHE 25 2.660 -2.685 0.365 179 HB2 PHE 25 1HB PHE 25 3.423 -0.704 -0.986 180 HB3 PHE 25 2HB PHE 25 4.683 -1.730 -1.705 181 HD1 PHE 25 1HD PHE 25 0.993 -1.527 -1.229 182 HD2 PHE 25 2HD PHE 25 4.254 -2.897 -3.625 183 HE1 PHE 25 1HE PHE 25 -0.598 -2.252 -2.977 184 HE2 PHE 25 2HE PHE 25 2.667 -3.621 -5.377 185 HZ PHE 25 HZ PHE 25 0.239 -3.299 -5.051 186 H GLY 26 H GLY 26 6.064 -3.482 -0.226 187 HA2 GLY 26 1HA GLY 26 5.755 -5.919 -1.580 188 HA3 GLY 26 2HA GLY 26 7.051 -5.565 -0.414 189 H ASP 27 H ASP 27 5.574 -5.252 1.924 190 HA ASP 27 HA ASP 27 4.956 -7.995 2.652 191 HB2 ASP 27 1HB ASP 27 4.543 -5.350 4.170 192 HB3 ASP 27 2HB ASP 27 4.120 -7.008 4.664 193 H ILE 28 H ILE 28 2.996 -5.117 1.954 194 HA ILE 28 HA ILE 28 0.460 -6.199 2.685 195 HB ILE 28 HB ILE 28 1.242 -4.193 0.525 196 HG12 ILE 28 1HG1 ILE 28 -0.057 -3.784 3.204 197 HG13 ILE 28 2HG1 ILE 28 1.683 -3.612 2.878 198 HG21 ILE 28 1HG2 ILE 28 -1.154 -3.591 0.450 199 HG22 ILE 28 2HG2 ILE 28 -0.903 -5.278 -0.054 200 HG23 ILE 28 3HG2 ILE 28 -1.524 -4.922 1.573 201 HD11 ILE 28 3HD1 ILE 28 -0.537 -1.982 1.594 202 HD12 ILE 28 1HD1 ILE 28 0.558 -1.421 2.879 203 HD13 ILE 28 2HD1 ILE 28 1.204 -1.811 1.267 204 H ILE 29 H ILE 29 2.281 -6.538 -0.325 205 HA ILE 29 HA ILE 29 0.274 -7.906 -1.823 206 HB ILE 29 HB ILE 29 3.310 -8.199 -1.812 207 HG12 ILE 29 1HG1 ILE 29 1.536 -6.859 -3.828 208 HG13 ILE 29 2HG1 ILE 29 2.262 -6.015 -2.441 209 HG21 ILE 29 1HG2 ILE 29 3.032 -9.342 -3.986 210 HG22 ILE 29 2HG2 ILE 29 2.244 -10.254 -2.678 211 HG23 ILE 29 3HG2 ILE 29 1.264 -9.275 -3.795 212 HD11 ILE 29 3HD1 ILE 29 3.785 -7.452 -4.643 213 HD12 ILE 29 1HD1 ILE 29 3.604 -5.691 -4.481 214 HD13 ILE 29 2HD1 ILE 29 4.511 -6.609 -3.255 215 H ARG 30 H ARG 30 2.660 -9.217 0.458 216 HA ARG 30 HA ARG 30 1.691 -11.943 0.100 217 HB2 ARG 30 1HB ARG 30 3.487 -10.701 2.129 218 HB3 ARG 30 2HB ARG 30 3.005 -12.414 2.126 219 HG2 ARG 30 1HG ARG 30 4.027 -12.714 -0.078 220 HG3 ARG 30 2HG ARG 30 4.478 -10.992 -0.114 221 HD2 ARG 30 1HD ARG 30 5.945 -11.326 1.766 222 HD3 ARG 30 2HD ARG 30 5.476 -13.040 1.841 223 HE ARG 30 HE ARG 30 6.664 -12.619 -0.750 224 HH11 ARG 30 1HH1 ARG 30 7.664 -12.423 2.586 225 HH12 ARG 30 2HH1 ARG 30 9.298 -12.865 2.128 226 HH21 ARG 30 1HH2 ARG 30 8.531 -13.117 -1.291 227 HH22 ARG 30 2HH2 ARG 30 9.794 -13.259 -0.083 228 H LEU 31 H LEU 31 0.872 -9.256 2.185 229 HA LEU 31 HA LEU 31 -0.648 -10.877 4.075 230 HB2 LEU 31 1HB LEU 31 -0.564 -8.022 3.364 231 HB3 LEU 31 2HB LEU 31 -1.555 -8.542 4.746 232 HG LEU 31 HG LEU 31 1.466 -8.816 4.501 233 HD11 LEU 31 1HD1 LEU 31 1.517 -7.119 6.349 234 HD12 LEU 31 2HD1 LEU 31 0.724 -6.468 4.896 235 HD13 LEU 31 3HD1 LEU 31 -0.258 -7.012 6.278 236 HD21 LEU 31 3HD2 LEU 31 0.492 -10.646 5.758 237 HD22 LEU 31 1HD2 LEU 31 1.377 -9.559 6.855 238 HD23 LEU 31 2HD2 LEU 31 -0.401 -9.502 6.788 239 H THR 32 H THR 32 -1.325 -9.272 1.040 240 HA THR 32 HA THR 32 -4.225 -9.817 1.306 241 HB THR 32 HB THR 32 -4.370 -8.852 -0.976 242 HG1 THR 32 1HG THR 32 -2.409 -7.963 -1.859 243 HG21 THR 32 1HG2 THR 32 -3.680 -6.552 -0.396 244 HG22 THR 32 2HG2 THR 32 -4.473 -7.351 0.984 245 HG23 THR 32 3HG2 THR 32 -2.702 -7.185 0.949 246 H GLY 33 H GLY 33 -1.399 -11.391 0.178 247 HA2 GLY 33 1HA GLY 33 -1.310 -13.691 -0.287 248 HA3 GLY 33 2HA GLY 33 -3.081 -13.719 -0.447 249 H GLU 34 H GLU 34 -1.035 -11.392 -2.112 250 HA GLU 34 HA GLU 34 -1.890 -12.599 -4.710 251 HB2 GLU 34 1HB GLU 34 -0.787 -9.864 -4.047 252 HB3 GLU 34 2HB GLU 34 -1.274 -10.430 -5.662 253 HG2 GLU 34 1HG GLU 34 -3.146 -9.940 -3.271 254 HG3 GLU 34 2HG GLU 34 -2.942 -9.040 -4.790 255 H GLN 35 H GLN 35 -0.431 -12.634 -6.490 256 HA GLN 35 HA GLN 35 2.382 -13.144 -5.587 257 HB2 GLN 35 1HB GLN 35 0.788 -14.243 -7.910 258 HB3 GLN 35 2HB GLN 35 2.530 -14.512 -7.662 259 HG2 GLN 35 1HG GLN 35 0.312 -15.684 -5.764 260 HG3 GLN 35 2HG GLN 35 1.324 -16.287 -7.097 261 HE21 GLN 35 2HE2 GLN 35 1.031 -16.107 -3.801 262 HE22 GLN 35 1HE2 GLN 35 2.690 -16.318 -3.348 263 H LEU 36 H LEU 36 2.846 -10.893 -5.722 264 HA LEU 36 HA LEU 36 3.121 -9.947 -8.556 265 HB2 LEU 36 1HB LEU 36 2.844 -8.514 -5.995 266 HB3 LEU 36 2HB LEU 36 3.097 -7.610 -7.506 267 HG LEU 36 HG LEU 36 0.679 -9.312 -6.785 268 HD11 LEU 36 1HD1 LEU 36 -0.545 -7.124 -6.881 269 HD12 LEU 36 2HD1 LEU 36 0.739 -7.092 -5.651 270 HD13 LEU 36 3HD1 LEU 36 0.992 -6.296 -7.222 271 HD21 LEU 36 3HD2 LEU 36 1.197 -9.506 -9.145 272 HD22 LEU 36 1HD2 LEU 36 -0.275 -8.530 -8.925 273 HD23 LEU 36 2HD2 LEU 36 1.272 -7.734 -9.304 274 H THR 37 H THR 37 4.955 -8.797 -9.156 275 HA THR 37 HA THR 37 7.350 -9.619 -7.558 276 HB THR 37 HB THR 37 8.626 -9.406 -9.614 277 HG1 THR 37 1HG THR 37 6.171 -8.457 -10.731 278 HG21 THR 37 1HG2 THR 37 7.532 -11.123 -11.012 279 HG22 THR 37 2HG2 THR 37 7.409 -11.532 -9.284 280 HG23 THR 37 3HG2 THR 37 6.003 -10.859 -10.141 281 H ASP 38 H ASP 38 9.295 -8.127 -8.058 282 HA ASP 38 HA ASP 38 8.765 -5.631 -6.754 283 HB2 ASP 38 1HB ASP 38 11.228 -6.564 -8.348 284 HB3 ASP 38 2HB ASP 38 10.954 -5.022 -7.500 285 H GLU 39 H GLU 39 8.940 -6.528 -10.150 286 HA GLU 39 HA GLU 39 8.865 -3.825 -11.178 287 HB2 GLU 39 1HB GLU 39 7.995 -6.484 -12.316 288 HB3 GLU 39 2HB GLU 39 7.943 -4.949 -13.218 289 HG2 GLU 39 1HG GLU 39 10.461 -4.766 -12.991 290 HG3 GLU 39 2HG GLU 39 10.353 -6.253 -12.021 291 H ASP 40 H ASP 40 6.423 -6.031 -9.971 292 HA ASP 40 HA ASP 40 4.203 -4.343 -10.897 293 HB2 ASP 40 1HB ASP 40 4.181 -6.668 -8.879 294 HB3 ASP 40 2HB ASP 40 2.858 -5.709 -9.587 295 H VAL 41 H VAL 41 6.088 -4.761 -7.944 296 HA VAL 41 HA VAL 41 4.584 -2.955 -6.274 297 HB VAL 41 HB VAL 41 7.561 -3.585 -6.389 298 HG11 VAL 41 1HG1 VAL 41 7.668 -2.544 -4.149 299 HG12 VAL 41 2HG1 VAL 41 7.163 -1.363 -5.381 300 HG13 VAL 41 3HG1 VAL 41 5.956 -2.078 -4.284 301 HG21 VAL 41 3HG2 VAL 41 6.183 -5.494 -5.817 302 HG22 VAL 41 1HG2 VAL 41 7.102 -4.931 -4.401 303 HG23 VAL 41 2HG2 VAL 41 5.369 -4.550 -4.545 304 H ASP 42 H ASP 42 7.246 -2.324 -8.552 305 HA ASP 42 HA ASP 42 7.284 0.513 -8.032 306 HB2 ASP 42 1HB ASP 42 8.294 -1.100 -10.452 307 HB3 ASP 42 2HB ASP 42 8.366 0.654 -10.159 308 H GLU 43 H GLU 43 5.582 -1.480 -10.423 309 HA GLU 43 HA GLU 43 4.554 0.737 -11.949 310 HB2 GLU 43 1HB GLU 43 4.668 -1.580 -12.761 311 HB3 GLU 43 2HB GLU 43 3.438 -2.045 -11.561 312 HG2 GLU 43 1HG GLU 43 1.776 -0.520 -12.732 313 HG3 GLU 43 2HG GLU 43 3.128 -0.098 -13.808 314 H ILE 44 H ILE 44 3.047 -1.251 -9.389 315 HA ILE 44 HA ILE 44 0.614 0.342 -9.348 316 HB ILE 44 HB ILE 44 1.833 -1.597 -7.332 317 HG12 ILE 44 1HG1 ILE 44 -0.543 -1.938 -9.137 318 HG13 ILE 44 2HG1 ILE 44 1.106 -2.465 -9.542 319 HG21 ILE 44 1HG2 ILE 44 -0.379 -1.556 -6.230 320 HG22 ILE 44 2HG2 ILE 44 0.382 0.051 -6.197 321 HG23 ILE 44 3HG2 ILE 44 -0.919 -0.293 -7.360 322 HD11 ILE 44 3HD1 ILE 44 -0.536 -3.428 -7.174 323 HD12 ILE 44 1HD1 ILE 44 -0.236 -4.338 -8.673 324 HD13 ILE 44 2HD1 ILE 44 1.115 -3.954 -7.579 325 H PHE 45 H PHE 45 3.559 0.366 -7.374 326 HA PHE 45 HA PHE 45 2.726 2.350 -5.518 327 HB2 PHE 45 1HB PHE 45 4.822 1.047 -5.271 328 HB3 PHE 45 2HB PHE 45 5.509 1.889 -6.678 329 HD1 PHE 45 1HD PHE 45 4.357 2.295 -3.197 330 HD2 PHE 45 2HD PHE 45 6.447 4.029 -6.495 331 HE1 PHE 45 1HE PHE 45 5.233 4.064 -1.708 332 HE2 PHE 45 2HE PHE 45 7.328 5.799 -5.010 333 HZ PHE 45 HZ PHE 45 6.719 5.816 -2.616 334 H GLY 46 H GLY 46 4.356 2.758 -8.668 335 HA2 GLY 46 1HA GLY 46 4.494 5.612 -8.496 336 HA3 GLY 46 2HA GLY 46 4.623 4.642 -9.982 337 H ASP 47 H ASP 47 2.096 3.380 -9.889 338 HA ASP 47 HA ASP 47 0.479 5.469 -11.088 339 HB2 ASP 47 1HB ASP 47 -0.161 2.537 -10.412 340 HB3 ASP 47 2HB ASP 47 -1.222 3.780 -11.117 341 H SER 48 H SER 48 0.542 3.899 -7.941 342 HA SER 48 HA SER 48 -2.073 4.937 -7.056 343 HB2 SER 48 1HB SER 48 0.139 3.606 -5.616 344 HB3 SER 48 2HB SER 48 -1.412 4.126 -4.917 345 HG SER 48 HG SER 48 -2.440 2.780 -6.465 346 H ASP 49 H ASP 49 1.341 5.898 -6.863 347 HA ASP 49 HA ASP 49 0.852 8.090 -4.992 348 HB2 ASP 49 1HB ASP 49 3.153 6.909 -5.374 349 HB3 ASP 49 2HB ASP 49 3.029 7.735 -6.947 350 H THR 50 H THR 50 -0.944 9.126 -5.926 351 HA THR 50 HA THR 50 -0.738 10.222 -8.634 352 HB THR 50 HB THR 50 -2.893 11.292 -8.135 353 HG1 THR 50 1HG THR 50 -2.134 10.647 -5.516 354 HG21 THR 50 1HG2 THR 50 -4.222 9.265 -7.662 355 HG22 THR 50 2HG2 THR 50 -2.897 8.911 -8.796 356 HG23 THR 50 3HG2 THR 50 -2.756 8.437 -7.086 357 H ASP 51 H ASP 51 -0.025 11.323 -5.406 358 HA ASP 51 HA ASP 51 0.233 14.135 -6.230 359 HB2 ASP 51 1HB ASP 51 1.037 12.691 -3.632 360 HB3 ASP 51 2HB ASP 51 1.293 14.387 -4.111 361 H LYS 52 H LYS 52 2.085 11.352 -6.621 362 HA LYS 52 HA LYS 52 4.295 11.009 -7.263 363 HB2 LYS 52 1HB LYS 52 4.041 13.889 -8.147 364 HB3 LYS 52 2HB LYS 52 5.299 12.738 -8.655 365 HG2 LYS 52 1HG LYS 52 3.581 11.336 -9.729 366 HG3 LYS 52 2HG LYS 52 2.326 12.493 -9.226 367 HD2 LYS 52 1HD LYS 52 3.464 14.261 -10.541 368 HD3 LYS 52 2HD LYS 52 4.657 13.059 -11.087 369 HE2 LYS 52 1HE LYS 52 2.900 11.758 -12.163 370 HE3 LYS 52 2HE LYS 52 1.665 12.888 -11.559 371 HZ1 LYS 52 3HZ LYS 52 3.830 13.563 -13.446 372 HZ2 LYS 52 1HZ LYS 52 2.244 13.343 -13.845 373 HZ3 LYS 52 2HZ LYS 52 2.685 14.611 -12.887 374 H ASN 53 H ASN 53 3.991 11.566 -4.584 375 HA ASN 53 HA ASN 53 6.140 13.529 -3.928 376 HB2 ASN 53 1HB ASN 53 4.141 12.189 -1.953 377 HB3 ASN 53 2HB ASN 53 5.619 13.172 -1.809 378 HD21 ASN 53 2HD2 ASN 53 2.669 13.559 -1.177 379 HD22 ASN 53 1HD2 ASN 53 2.297 15.105 -1.863 380 H GLY 54 H GLY 54 5.924 10.333 -4.698 381 HA2 GLY 54 1HA GLY 54 7.616 8.714 -4.552 382 HA3 GLY 54 2HA GLY 54 8.485 9.742 -3.389 383 H ARG 55 H ARG 55 5.091 8.721 -3.189 384 HA ARG 55 HA ARG 55 5.446 6.686 -1.192 385 HB2 ARG 55 1HB ARG 55 4.851 7.785 0.785 386 HB3 ARG 55 2HB ARG 55 6.362 8.452 0.125 387 HG2 ARG 55 1HG ARG 55 5.136 10.411 -0.709 388 HG3 ARG 55 2HG ARG 55 3.620 9.741 -0.058 389 HD2 ARG 55 1HD ARG 55 4.397 9.981 2.164 390 HD3 ARG 55 2HD ARG 55 6.017 10.450 1.598 391 HE ARG 55 HE ARG 55 5.108 12.720 1.235 392 HH11 ARG 55 1HH1 ARG 55 2.507 10.488 1.876 393 HH12 ARG 55 2HH1 ARG 55 1.402 11.830 2.100 394 HH21 ARG 55 1HH2 ARG 55 3.853 14.267 1.480 395 HH22 ARG 55 2HH2 ARG 55 2.168 13.985 1.874 396 H ILE 56 H ILE 56 3.518 5.872 -0.357 397 HA ILE 56 HA ILE 56 1.067 6.814 -1.795 398 HB ILE 56 HB ILE 56 1.482 4.324 -0.081 399 HG12 ILE 56 1HG1 ILE 56 2.943 4.180 -1.939 400 HG13 ILE 56 2HG1 ILE 56 1.562 3.080 -2.165 401 HG21 ILE 56 1HG2 ILE 56 -0.601 3.566 -1.176 402 HG22 ILE 56 2HG2 ILE 56 -0.863 5.081 -0.281 403 HG23 ILE 56 3HG2 ILE 56 -0.702 5.112 -2.053 404 HD11 ILE 56 3HD1 ILE 56 1.914 5.790 -3.495 405 HD12 ILE 56 1HD1 ILE 56 2.155 4.209 -4.273 406 HD13 ILE 56 2HD1 ILE 56 0.533 4.692 -3.720 407 H ASP 57 H ASP 57 -0.062 8.303 -0.918 408 HA ASP 57 HA ASP 57 -0.028 8.801 1.955 409 HB2 ASP 57 1HB ASP 57 -0.598 10.440 -0.182 410 HB3 ASP 57 2HB ASP 57 -2.175 9.727 0.240 411 H PHE 58 H PHE 58 -2.213 9.140 3.068 412 HA PHE 58 HA PHE 58 -3.373 6.533 3.445 413 HB2 PHE 58 1HB PHE 58 -3.302 8.263 5.232 414 HB3 PHE 58 2HB PHE 58 -4.441 9.259 4.298 415 HD1 PHE 58 1HD PHE 58 -4.077 5.932 5.922 416 HD2 PHE 58 2HD PHE 58 -6.708 9.016 4.574 417 HE1 PHE 58 1HE PHE 58 -5.974 4.792 7.022 418 HE2 PHE 58 2HE PHE 58 -8.608 7.881 5.675 419 HZ PHE 58 HZ PHE 58 -8.240 5.766 6.898 420 H ASP 59 H ASP 59 -4.631 9.469 1.853 421 HA ASP 59 HA ASP 59 -7.083 8.248 0.970 422 HB2 ASP 59 1HB ASP 59 -5.522 10.653 -0.152 423 HB3 ASP 59 2HB ASP 59 -7.061 9.951 -0.709 424 H GLU 60 H GLU 60 -3.868 8.507 -0.514 425 HA GLU 60 HA GLU 60 -4.634 7.122 -2.946 426 HB2 GLU 60 1HB GLU 60 -1.981 7.562 -1.574 427 HB3 GLU 60 2HB GLU 60 -2.169 6.751 -3.148 428 HG2 GLU 60 1HG GLU 60 -3.020 8.858 -4.165 429 HG3 GLU 60 2HG GLU 60 -3.098 9.516 -2.515 430 H PHE 61 H PHE 61 -3.578 6.096 0.242 431 HA PHE 61 HA PHE 61 -3.157 3.322 -0.441 432 HB2 PHE 61 1HB PHE 61 -2.289 4.201 1.662 433 HB3 PHE 61 2HB PHE 61 -3.923 4.663 2.187 434 HD1 PHE 61 1HD PHE 61 -1.699 1.806 1.461 435 HD2 PHE 61 2HD PHE 61 -5.357 3.134 3.221 436 HE1 PHE 61 1HE PHE 61 -1.966 -0.393 2.558 437 HE2 PHE 61 2HE PHE 61 -5.628 0.937 4.322 438 HZ PHE 61 HZ PHE 61 -3.932 -0.827 3.988 439 H LEU 62 H LEU 62 -6.005 5.133 0.683 440 HA LEU 62 HA LEU 62 -7.778 2.902 0.840 441 HB2 LEU 62 1HB LEU 62 -8.131 5.736 0.126 442 HB3 LEU 62 2HB LEU 62 -9.571 4.730 0.412 443 HG LEU 62 HG LEU 62 -7.403 5.361 2.452 444 HD11 LEU 62 1HD1 LEU 62 -9.194 6.709 3.579 445 HD12 LEU 62 2HD1 LEU 62 -8.850 7.327 1.946 446 HD13 LEU 62 3HD1 LEU 62 -10.299 6.334 2.236 447 HD21 LEU 62 3HD2 LEU 62 -8.377 3.167 2.793 448 HD22 LEU 62 1HD2 LEU 62 -8.922 4.279 4.072 449 HD23 LEU 62 2HD2 LEU 62 -10.018 3.854 2.734 450 H LYS 63 H LYS 63 -6.938 5.007 -1.896 451 HA LYS 63 HA LYS 63 -8.726 3.634 -3.736 452 HB2 LYS 63 1HB LYS 63 -6.340 5.437 -4.160 453 HB3 LYS 63 2HB LYS 63 -7.377 4.812 -5.464 454 HG2 LYS 63 1HG LYS 63 -9.304 5.992 -4.530 455 HG3 LYS 63 2HG LYS 63 -8.311 6.572 -3.171 456 HD2 LYS 63 1HD LYS 63 -6.847 7.760 -4.789 457 HD3 LYS 63 2HD LYS 63 -7.920 7.237 -6.109 458 HE2 LYS 63 1HE LYS 63 -9.788 8.442 -5.102 459 HE3 LYS 63 2HE LYS 63 -8.762 8.921 -3.730 460 HZ1 LYS 63 3HZ LYS 63 -8.342 9.708 -6.542 461 HZ2 LYS 63 1HZ LYS 63 -8.951 10.678 -5.354 462 HZ3 LYS 63 2HZ LYS 63 -7.389 10.152 -5.269 463 H MET 64 H MET 64 -5.338 3.285 -2.812 464 HA MET 64 HA MET 64 -4.632 1.448 -4.919 465 HB2 MET 64 1HB MET 64 -3.012 2.688 -3.570 466 HB3 MET 64 2HB MET 64 -3.516 1.771 -2.130 467 HG2 MET 64 1HG MET 64 -2.724 -0.304 -3.163 468 HG3 MET 64 2HG MET 64 -2.243 0.596 -4.621 469 HE1 MET 64 3HE MET 64 -1.396 -0.401 -0.970 470 HE2 MET 64 1HE MET 64 -0.165 0.791 -0.491 471 HE3 MET 64 2HE MET 64 -1.855 1.300 -0.722 472 H MET 65 H MET 65 -5.839 0.956 -1.609 473 HA MET 65 HA MET 65 -5.795 -1.955 -1.872 474 HB2 MET 65 1HB MET 65 -7.108 -0.080 0.093 475 HB3 MET 65 2HB MET 65 -7.145 -1.855 0.212 476 HG2 MET 65 1HG MET 65 -4.691 -0.075 0.335 477 HG3 MET 65 2HG MET 65 -5.443 -0.938 1.697 478 HE1 MET 65 3HE MET 65 -6.165 -3.754 0.598 479 HE2 MET 65 1HE MET 65 -4.673 -4.672 0.923 480 HE3 MET 65 2HE MET 65 -5.276 -3.499 2.120 481 H GLU 66 H GLU 66 -8.147 0.602 -2.417 482 HA GLU 66 HA GLU 66 -10.443 -1.077 -2.786 483 HB2 GLU 66 1HB GLU 66 -10.521 1.368 -2.583 484 HB3 GLU 66 2HB GLU 66 -9.696 1.512 -4.155 485 HG2 GLU 66 1HG GLU 66 -11.697 0.431 -5.271 486 HG3 GLU 66 2HG GLU 66 -12.358 0.257 -3.629 487 H ASN 67 H ASN 67 -7.845 -0.105 -4.996 488 HA ASN 67 HA ASN 67 -8.952 -2.067 -6.980 489 HB2 ASN 67 1HB ASN 67 -7.025 0.265 -7.694 490 HB3 ASN 67 2HB ASN 67 -7.753 -1.140 -8.511 491 HD21 ASN 67 2HD2 ASN 67 -8.167 2.084 -7.454 492 HD22 ASN 67 1HD2 ASN 67 -9.788 2.313 -8.019 493 H VAL 68 H VAL 68 -7.437 -2.797 -4.624 494 HA VAL 68 HA VAL 68 -4.718 -3.476 -5.385 495 HB VAL 68 HB VAL 68 -5.666 -3.504 -3.014 496 HG11 VAL 68 1HG1 VAL 68 -6.787 -5.593 -2.311 497 HG12 VAL 68 2HG1 VAL 68 -7.756 -4.723 -3.523 498 HG13 VAL 68 3HG1 VAL 68 -6.807 -6.150 -4.001 499 HG21 VAL 68 3HG2 VAL 68 -3.497 -4.438 -3.555 500 HG22 VAL 68 1HG2 VAL 68 -4.325 -5.428 -2.330 501 HG23 VAL 68 2HG2 VAL 68 -4.257 -5.980 -4.021 502 H GLN 69 H GLN 69 -3.803 -5.156 -6.303 503 HA GLN 69 HA GLN 69 -4.968 -6.499 -8.406 504 HB2 GLN 69 1HB GLN 69 -2.582 -6.583 -7.816 505 HB3 GLN 69 2HB GLN 69 -2.970 -7.656 -6.450 506 HG2 GLN 69 1HG GLN 69 -2.285 -9.287 -8.321 507 HG3 GLN 69 2HG GLN 69 -4.023 -9.067 -8.011 508 HE21 GLN 69 2HE2 GLN 69 -4.266 -9.991 -10.174 509 HE22 GLN 69 1HE2 GLN 69 -4.121 -8.955 -11.555 Start of MODEL 11 1 H1 SER 1 1H SER 1 -16.625 1.969 3.459 2 H2 SER 1 2H SER 1 -16.913 1.381 4.808 3 H3 SER 1 3H SER 1 -16.041 2.595 4.689 4 HA SER 1 HA SER 1 -15.076 -0.146 4.619 5 HB2 SER 1 1HB SER 1 -13.909 -0.263 2.651 6 HB3 SER 1 2HB SER 1 -15.640 -0.014 2.324 7 HG SER 1 HG SER 1 -14.290 1.279 0.999 8 H GLU 2 H GLU 2 -14.507 3.331 4.311 9 HA GLU 2 HA GLU 2 -11.645 3.274 4.533 10 HB2 GLU 2 1HB GLU 2 -13.706 5.377 5.197 11 HB3 GLU 2 2HB GLU 2 -11.948 5.645 5.300 12 HG2 GLU 2 1HG GLU 2 -11.763 5.213 2.813 13 HG3 GLU 2 2HG GLU 2 -13.503 4.856 2.872 14 H GLU 3 H GLU 3 -14.204 3.123 6.919 15 HA GLU 3 HA GLU 3 -12.685 3.677 9.258 16 HB2 GLU 3 1HB GLU 3 -15.119 3.387 9.204 17 HB3 GLU 3 2HB GLU 3 -14.895 1.656 8.849 18 HG2 GLU 3 1HG GLU 3 -13.776 1.383 11.119 19 HG3 GLU 3 2HG GLU 3 -14.026 3.135 11.298 20 H GLU 4 H GLU 4 -13.092 0.622 7.476 21 HA GLU 4 HA GLU 4 -11.291 -0.799 9.306 22 HB2 GLU 4 1HB GLU 4 -12.499 -1.517 6.631 23 HB3 GLU 4 2HB GLU 4 -11.481 -2.604 7.608 24 HG2 GLU 4 1HG GLU 4 -13.233 -2.536 9.443 25 HG3 GLU 4 2HG GLU 4 -14.098 -1.392 8.393 26 H LEU 5 H LEU 5 -11.043 0.857 6.218 27 HA LEU 5 HA LEU 5 -8.449 -0.213 5.519 28 HB2 LEU 5 1HB LEU 5 -9.948 2.228 4.849 29 HB3 LEU 5 2HB LEU 5 -8.421 1.902 3.998 30 HG LEU 5 HG LEU 5 -10.929 0.179 3.924 31 HD11 LEU 5 1HD1 LEU 5 -11.024 0.875 1.515 32 HD12 LEU 5 2HD1 LEU 5 -11.131 2.282 2.599 33 HD13 LEU 5 3HD1 LEU 5 -9.599 1.909 1.775 34 HD21 LEU 5 3HD2 LEU 5 -8.917 -1.168 3.800 35 HD22 LEU 5 1HD2 LEU 5 -9.726 -1.139 2.215 36 HD23 LEU 5 2HD2 LEU 5 -8.276 -0.144 2.495 37 H SER 6 H SER 6 -9.518 2.480 7.504 38 HA SER 6 HA SER 6 -6.951 3.800 7.841 39 HB2 SER 6 1HB SER 6 -7.872 4.904 9.605 40 HB3 SER 6 2HB SER 6 -9.062 4.813 8.286 41 HG SER 6 HG SER 6 -9.978 4.377 10.339 42 H GLU 7 H GLU 7 -8.493 0.952 9.270 43 HA GLU 7 HA GLU 7 -6.489 0.673 11.395 44 HB2 GLU 7 1HB GLU 7 -8.557 -1.210 10.254 45 HB3 GLU 7 2HB GLU 7 -7.495 -1.586 11.633 46 HG2 GLU 7 1HG GLU 7 -8.569 0.299 12.938 47 HG3 GLU 7 2HG GLU 7 -9.489 0.634 11.452 48 H CYS 8 H CYS 8 -7.059 -0.770 8.198 49 HA CYS 8 HA CYS 8 -4.860 -2.608 8.109 50 HB2 CYS 8 1HB CYS 8 -6.310 -0.836 6.097 51 HB3 CYS 8 2HB CYS 8 -5.196 -2.151 5.648 52 HG CYS 8 HG CYS 8 -7.599 -2.823 5.180 53 H PHE 9 H PHE 9 -5.085 0.877 7.290 54 HA PHE 9 HA PHE 9 -2.449 1.221 6.297 55 HB2 PHE 9 1HB PHE 9 -4.210 2.953 6.101 56 HB3 PHE 9 2HB PHE 9 -4.160 3.204 7.860 57 HD1 PHE 9 1HD PHE 9 -2.247 3.549 4.720 58 HD2 PHE 9 2HD PHE 9 -2.543 4.567 8.858 59 HE1 PHE 9 1HE PHE 9 -0.485 5.258 4.424 60 HE2 PHE 9 2HE PHE 9 -0.783 6.279 8.566 61 HZ PHE 9 HZ PHE 9 0.247 6.623 6.348 62 H ARG 10 H ARG 10 -3.653 1.492 9.640 63 HA ARG 10 HA ARG 10 -1.109 2.239 10.761 64 HB2 ARG 10 1HB ARG 10 -3.530 1.012 11.993 65 HB3 ARG 10 2HB ARG 10 -2.061 1.460 12.890 66 HG2 ARG 10 1HG ARG 10 -2.348 3.793 12.255 67 HG3 ARG 10 2HG ARG 10 -3.766 3.372 11.264 68 HD2 ARG 10 1HD ARG 10 -4.954 2.690 13.253 69 HD3 ARG 10 2HD ARG 10 -3.536 3.107 14.245 70 HE ARG 10 HE ARG 10 -4.372 5.524 12.911 71 HH11 ARG 10 1HH1 ARG 10 -5.681 3.297 15.254 72 HH12 ARG 10 2HH1 ARG 10 -6.596 4.598 15.989 73 HH21 ARG 10 1HH2 ARG 10 -5.420 7.023 13.737 74 HH22 ARG 10 2HH2 ARG 10 -6.449 6.724 15.123 75 H ILE 11 H ILE 11 -2.577 -0.870 10.011 76 HA ILE 11 HA ILE 11 -0.606 -2.483 11.399 77 HB ILE 11 HB ILE 11 -2.429 -3.058 9.020 78 HG12 ILE 11 1HG1 ILE 11 -2.581 -4.045 11.854 79 HG13 ILE 11 2HG1 ILE 11 -3.439 -2.611 11.246 80 HG21 ILE 11 1HG2 ILE 11 -1.851 -5.435 9.374 81 HG22 ILE 11 2HG2 ILE 11 -0.414 -4.487 8.928 82 HG23 ILE 11 3HG2 ILE 11 -0.674 -4.964 10.621 83 HD11 ILE 11 3HD1 ILE 11 -3.778 -5.451 10.220 84 HD12 ILE 11 1HD1 ILE 11 -4.916 -4.582 11.276 85 HD13 ILE 11 2HD1 ILE 11 -4.634 -4.015 9.612 86 H PHE 12 H PHE 12 -0.763 -1.188 8.105 87 HA PHE 12 HA PHE 12 1.701 -2.643 7.385 88 HB2 PHE 12 1HB PHE 12 -0.076 -0.690 5.864 89 HB3 PHE 12 2HB PHE 12 1.377 -1.457 5.184 90 HD1 PHE 12 2HD PHE 12 1.424 -4.077 5.386 91 HD2 PHE 12 1HD PHE 12 -2.096 -1.659 5.494 92 HE1 PHE 12 2HE PHE 12 0.072 -6.020 4.678 93 HE2 PHE 12 1HE PHE 12 -3.453 -3.601 4.788 94 HZ PHE 12 HZ PHE 12 -2.369 -5.782 4.381 95 H ASP 13 H ASP 13 0.754 0.593 8.356 96 HA ASP 13 HA ASP 13 3.452 1.673 7.902 97 HB2 ASP 13 1HB ASP 13 1.225 3.079 7.941 98 HB3 ASP 13 2HB ASP 13 1.323 2.672 9.672 99 H LYS 14 H LYS 14 4.493 -0.169 9.005 100 HA LYS 14 HA LYS 14 4.008 -0.554 11.849 101 HB2 LYS 14 1HB LYS 14 6.199 -1.500 9.997 102 HB3 LYS 14 2HB LYS 14 6.039 -1.984 11.703 103 HG2 LYS 14 1HG LYS 14 3.953 -3.101 11.264 104 HG3 LYS 14 2HG LYS 14 3.900 -2.458 9.605 105 HD2 LYS 14 1HD LYS 14 5.946 -3.729 9.057 106 HD3 LYS 14 2HD LYS 14 5.966 -4.391 10.709 107 HE2 LYS 14 1HE LYS 14 3.951 -5.596 10.360 108 HE3 LYS 14 2HE LYS 14 3.600 -4.715 8.857 109 HZ1 LYS 14 3HZ LYS 14 5.828 -6.606 9.254 110 HZ2 LYS 14 1HZ LYS 14 4.441 -6.920 8.419 111 HZ3 LYS 14 2HZ LYS 14 5.503 -5.788 7.858 112 H ASP 15 H ASP 15 6.153 1.436 9.956 113 HA ASP 15 HA ASP 15 7.910 2.033 12.241 114 HB2 ASP 15 1HB ASP 15 7.732 3.269 9.428 115 HB3 ASP 15 2HB ASP 15 8.757 3.738 10.806 116 H GLY 16 H GLY 16 4.909 3.168 11.015 117 HA2 GLY 16 1HA GLY 16 3.496 4.809 11.849 118 HA3 GLY 16 2HA GLY 16 4.658 5.091 13.167 119 H ASN 17 H ASN 17 5.103 5.315 9.630 120 HA ASN 17 HA ASN 17 6.475 7.907 10.047 121 HB2 ASN 17 1HB ASN 17 6.338 6.244 7.420 122 HB3 ASN 17 2HB ASN 17 6.967 7.837 7.906 123 HD21 ASN 17 2HD2 ASN 17 8.215 5.274 6.933 124 HD22 ASN 17 1HD2 ASN 17 9.474 4.946 8.077 125 H GLY 18 H GLY 18 3.397 6.755 9.077 126 HA2 GLY 18 1HA GLY 18 1.521 8.176 8.744 127 HA3 GLY 18 2HA GLY 18 2.617 9.523 8.362 128 H PHE 19 H PHE 19 3.465 6.575 6.863 129 HA PHE 19 HA PHE 19 1.678 6.733 4.570 130 HB2 PHE 19 1HB PHE 19 3.401 7.337 2.900 131 HB3 PHE 19 2HB PHE 19 3.145 8.668 4.051 132 HD1 PHE 19 1HD PHE 19 5.426 5.973 3.012 133 HD2 PHE 19 2HD PHE 19 4.863 9.406 5.492 134 HE1 PHE 19 1HE PHE 19 7.853 6.034 3.478 135 HE2 PHE 19 2HE PHE 19 7.289 9.472 5.957 136 HZ PHE 19 HZ PHE 19 8.785 7.783 4.951 137 H ILE 20 H ILE 20 2.288 5.214 2.848 138 HA ILE 20 HA ILE 20 3.654 2.826 4.045 139 HB ILE 20 HB ILE 20 1.829 3.053 1.606 140 HG12 ILE 20 1HG1 ILE 20 0.603 3.490 3.604 141 HG13 ILE 20 2HG1 ILE 20 0.176 1.901 2.929 142 HG21 ILE 20 1HG2 ILE 20 1.827 0.583 1.692 143 HG22 ILE 20 2HG2 ILE 20 3.473 1.214 1.450 144 HG23 ILE 20 3HG2 ILE 20 2.972 0.629 3.054 145 HD11 ILE 20 3HD1 ILE 20 2.019 2.392 5.294 146 HD12 ILE 20 1HD1 ILE 20 0.341 1.809 5.385 147 HD13 ILE 20 2HD1 ILE 20 1.592 0.802 4.620 148 H ASP 21 H ASP 21 5.602 2.371 3.573 149 HA ASP 21 HA ASP 21 6.884 3.604 1.216 150 HB2 ASP 21 1HB ASP 21 7.919 3.050 3.698 151 HB3 ASP 21 2HB ASP 21 8.113 1.516 2.815 152 H ARG 22 H ARG 22 8.443 2.147 -0.023 153 HA ARG 22 HA ARG 22 6.886 0.269 -1.536 154 HB2 ARG 22 1HB ARG 22 9.815 0.801 -1.434 155 HB3 ARG 22 2HB ARG 22 9.064 -0.422 -2.486 156 HG2 ARG 22 1HG ARG 22 7.622 1.450 -3.416 157 HG3 ARG 22 2HG ARG 22 8.685 2.581 -2.544 158 HD2 ARG 22 1HD ARG 22 9.574 0.616 -4.630 159 HD3 ARG 22 2HD ARG 22 9.231 2.339 -4.908 160 HE ARG 22 HE ARG 22 11.713 1.322 -3.599 161 HH11 ARG 22 1HH1 ARG 22 9.722 4.092 -4.326 162 HH12 ARG 22 2HH1 ARG 22 11.073 5.157 -3.993 163 HH21 ARG 22 1HH2 ARG 22 13.271 2.529 -3.222 164 HH22 ARG 22 2HH2 ARG 22 13.097 4.267 -3.363 165 H GLU 23 H GLU 23 9.246 -0.165 1.077 166 HA GLU 23 HA GLU 23 9.202 -3.057 0.966 167 HB2 GLU 23 1HB GLU 23 9.926 -1.090 3.139 168 HB3 GLU 23 2HB GLU 23 10.094 -2.855 3.298 169 HG2 GLU 23 1HG GLU 23 11.761 -2.849 1.399 170 HG3 GLU 23 2HG GLU 23 11.406 -1.112 1.256 171 H GLU 24 H GLU 24 7.260 -0.642 2.651 172 HA GLU 24 HA GLU 24 5.779 -2.656 4.179 173 HB2 GLU 24 1HB GLU 24 5.161 0.239 3.570 174 HB3 GLU 24 2HB GLU 24 4.306 -0.792 4.742 175 HG2 GLU 24 1HG GLU 24 6.462 -0.958 6.091 176 HG3 GLU 24 2HG GLU 24 7.173 0.051 4.811 177 H PHE 25 H PHE 25 5.481 -1.116 1.049 178 HA PHE 25 HA PHE 25 2.829 -2.135 0.475 179 HB2 PHE 25 1HB PHE 25 3.848 -0.344 -0.885 180 HB3 PHE 25 2HB PHE 25 5.139 -1.454 -1.396 181 HD1 PHE 25 1HD PHE 25 1.423 -1.125 -1.407 182 HD2 PHE 25 2HD PHE 25 4.929 -2.597 -3.357 183 HE1 PHE 25 1HE PHE 25 0.051 -1.832 -3.338 184 HE2 PHE 25 2HE PHE 25 3.560 -3.303 -5.291 185 HZ PHE 25 HZ PHE 25 1.119 -2.921 -5.280 186 H GLY 26 H GLY 26 6.094 -3.470 0.172 187 HA2 GLY 26 1HA GLY 26 5.481 -5.897 -1.112 188 HA3 GLY 26 2HA GLY 26 6.744 -5.688 0.123 189 H ASP 27 H ASP 27 5.092 -4.954 2.298 190 HA ASP 27 HA ASP 27 4.157 -7.542 3.197 191 HB2 ASP 27 1HB ASP 27 3.816 -4.730 4.403 192 HB3 ASP 27 2HB ASP 27 3.194 -6.289 5.000 193 H ILE 28 H ILE 28 2.561 -4.688 1.860 194 HA ILE 28 HA ILE 28 -0.145 -5.561 2.332 195 HB ILE 28 HB ILE 28 1.072 -3.786 0.170 196 HG12 ILE 28 1HG1 ILE 28 -0.571 -3.073 2.583 197 HG13 ILE 28 2HG1 ILE 28 1.207 -3.028 2.514 198 HG21 ILE 28 1HG2 ILE 28 -1.247 -3.074 -0.303 199 HG22 ILE 28 2HG2 ILE 28 -1.031 -4.809 -0.630 200 HG23 ILE 28 3HG2 ILE 28 -1.854 -4.278 0.856 201 HD11 ILE 28 3HD1 ILE 28 -0.683 -1.397 0.781 202 HD12 ILE 28 1HD1 ILE 28 0.246 -0.786 2.170 203 HD13 ILE 28 2HD1 ILE 28 1.095 -1.353 0.711 204 H ILE 29 H ILE 29 1.977 -6.022 -0.488 205 HA ILE 29 HA ILE 29 -0.058 -7.638 -1.854 206 HB ILE 29 HB ILE 29 1.717 -8.057 -3.510 207 HG12 ILE 29 1HG1 ILE 29 3.551 -6.580 -1.639 208 HG13 ILE 29 2HG1 ILE 29 3.507 -8.345 -1.859 209 HG21 ILE 29 1HG2 ILE 29 2.203 -5.726 -4.170 210 HG22 ILE 29 2HG2 ILE 29 0.517 -5.899 -3.632 211 HG23 ILE 29 3HG2 ILE 29 1.724 -5.166 -2.551 212 HD11 ILE 29 3HD1 ILE 29 4.166 -6.302 -4.009 213 HD12 ILE 29 1HD1 ILE 29 5.338 -7.333 -3.159 214 HD13 ILE 29 2HD1 ILE 29 4.120 -8.067 -4.229 215 H ARG 30 H ARG 30 2.290 -8.253 0.546 216 HA ARG 30 HA ARG 30 2.553 -11.105 -0.035 217 HB2 ARG 30 1HB ARG 30 4.266 -9.909 1.139 218 HB3 ARG 30 2HB ARG 30 3.136 -9.598 2.477 219 HG2 ARG 30 1HG ARG 30 2.980 -11.978 2.947 220 HG3 ARG 30 2HG ARG 30 4.010 -12.350 1.544 221 HD2 ARG 30 1HD ARG 30 5.860 -11.212 2.605 222 HD3 ARG 30 2HD ARG 30 4.831 -10.846 4.008 223 HE ARG 30 HE ARG 30 4.986 -13.735 3.705 224 HH11 ARG 30 1HH1 ARG 30 7.025 -11.051 4.591 225 HH12 ARG 30 2HH1 ARG 30 7.966 -12.102 5.632 226 HH21 ARG 30 1HH2 ARG 30 6.058 -14.953 4.885 227 HH22 ARG 30 2HH2 ARG 30 7.416 -14.327 5.800 228 H LEU 31 H LEU 31 0.441 -9.110 1.982 229 HA LEU 31 HA LEU 31 -0.699 -11.552 3.225 230 HB2 LEU 31 1HB LEU 31 -1.113 -8.654 3.566 231 HB3 LEU 31 2HB LEU 31 -1.986 -9.800 4.609 232 HG LEU 31 HG LEU 31 1.013 -9.302 4.509 233 HD11 LEU 31 1HD1 LEU 31 0.681 -8.642 6.906 234 HD12 LEU 31 2HD1 LEU 31 -0.301 -7.636 5.817 235 HD13 LEU 31 3HD1 LEU 31 -1.061 -8.956 6.736 236 HD21 LEU 31 3HD2 LEU 31 0.590 -11.677 4.757 237 HD22 LEU 31 1HD2 LEU 31 1.197 -11.004 6.290 238 HD23 LEU 31 2HD2 LEU 31 -0.536 -11.366 6.100 239 H THR 32 H THR 32 -1.365 -9.342 0.683 240 HA THR 32 HA THR 32 -4.242 -10.101 0.624 241 HB THR 32 HB THR 32 -4.375 -8.532 -1.294 242 HG1 THR 32 1HG THR 32 -2.468 -7.281 -1.754 243 HG21 THR 32 1HG2 THR 32 -3.924 -6.453 -0.041 244 HG22 THR 32 2HG2 THR 32 -4.699 -7.673 0.999 245 HG23 THR 32 3HG2 THR 32 -2.950 -7.370 1.133 246 H GLY 33 H GLY 33 -1.353 -11.372 -0.419 247 HA2 GLY 33 1HA GLY 33 -1.066 -13.352 -1.605 248 HA3 GLY 33 2HA GLY 33 -2.816 -13.383 -1.922 249 H GLU 34 H GLU 34 -0.345 -10.924 -2.709 250 HA GLU 34 HA GLU 34 -1.125 -11.219 -5.594 251 HB2 GLU 34 1HB GLU 34 -0.193 -8.830 -3.999 252 HB3 GLU 34 2HB GLU 34 -0.283 -8.865 -5.777 253 HG2 GLU 34 1HG GLU 34 -2.684 -9.147 -3.868 254 HG3 GLU 34 2HG GLU 34 -2.156 -7.751 -4.835 255 H GLN 35 H GLN 35 0.294 -12.373 -6.635 256 HA GLN 35 HA GLN 35 3.148 -12.272 -5.842 257 HB2 GLN 35 1HB GLN 35 1.662 -13.886 -7.927 258 HB3 GLN 35 2HB GLN 35 3.397 -14.032 -7.556 259 HG2 GLN 35 1HG GLN 35 1.130 -14.875 -5.544 260 HG3 GLN 35 2HG GLN 35 2.199 -15.702 -6.701 261 HE21 GLN 35 2HE2 GLN 35 1.795 -14.777 -3.515 262 HE22 GLN 35 1HE2 GLN 35 3.439 -14.893 -2.980 263 H LEU 36 H LEU 36 4.136 -10.490 -6.480 264 HA LEU 36 HA LEU 36 3.724 -9.635 -9.326 265 HB2 LEU 36 1HB LEU 36 4.549 -8.129 -6.929 266 HB3 LEU 36 2HB LEU 36 4.328 -7.323 -8.500 267 HG LEU 36 HG LEU 36 2.166 -8.604 -6.783 268 HD11 LEU 36 1HD1 LEU 36 1.284 -6.259 -6.636 269 HD12 LEU 36 2HD1 LEU 36 2.933 -6.372 -5.976 270 HD13 LEU 36 3HD1 LEU 36 2.670 -5.695 -7.601 271 HD21 LEU 36 3HD2 LEU 36 1.722 -8.978 -9.137 272 HD22 LEU 36 1HD2 LEU 36 0.579 -7.778 -8.487 273 HD23 LEU 36 2HD2 LEU 36 1.955 -7.248 -9.486 274 H THR 37 H THR 37 5.449 -8.954 -10.550 275 HA THR 37 HA THR 37 8.104 -9.929 -9.706 276 HB THR 37 HB THR 37 8.853 -9.255 -11.913 277 HG1 THR 37 1HG THR 37 7.284 -8.193 -13.320 278 HG21 THR 37 1HG2 THR 37 7.310 -10.550 -13.343 279 HG22 THR 37 2HG2 THR 37 7.575 -11.367 -11.784 280 HG23 THR 37 3HG2 THR 37 6.066 -10.469 -12.073 281 H ASP 38 H ASP 38 10.003 -8.456 -10.201 282 HA ASP 38 HA ASP 38 10.028 -6.291 -8.366 283 HB2 ASP 38 1HB ASP 38 11.869 -6.842 -10.770 284 HB3 ASP 38 2HB ASP 38 11.960 -5.541 -9.557 285 H GLU 39 H GLU 39 9.305 -6.345 -11.825 286 HA GLU 39 HA GLU 39 9.146 -3.426 -12.000 287 HB2 GLU 39 1HB GLU 39 8.265 -5.658 -13.835 288 HB3 GLU 39 2HB GLU 39 8.116 -3.925 -14.214 289 HG2 GLU 39 1HG GLU 39 10.632 -3.710 -14.136 290 HG3 GLU 39 2HG GLU 39 10.640 -5.414 -13.629 291 H ASP 40 H ASP 40 6.834 -6.100 -11.685 292 HA ASP 40 HA ASP 40 4.482 -4.497 -12.064 293 HB2 ASP 40 1HB ASP 40 4.859 -7.169 -10.583 294 HB3 ASP 40 2HB ASP 40 3.370 -6.229 -10.852 295 H VAL 41 H VAL 41 6.386 -5.289 -9.189 296 HA VAL 41 HA VAL 41 4.587 -4.057 -7.276 297 HB VAL 41 HB VAL 41 7.589 -4.565 -7.225 298 HG11 VAL 41 1HG1 VAL 41 7.442 -4.085 -4.805 299 HG12 VAL 41 2HG1 VAL 41 7.003 -2.655 -5.769 300 HG13 VAL 41 3HG1 VAL 41 5.732 -3.633 -4.997 301 HG21 VAL 41 3HG2 VAL 41 6.247 -6.581 -7.261 302 HG22 VAL 41 1HG2 VAL 41 7.005 -6.353 -5.667 303 HG23 VAL 41 2HG2 VAL 41 5.279 -5.983 -5.892 304 H ASP 42 H ASP 42 7.368 -2.786 -9.088 305 HA ASP 42 HA ASP 42 7.243 -0.179 -7.859 306 HB2 ASP 42 1HB ASP 42 8.485 -1.091 -10.525 307 HB3 ASP 42 2HB ASP 42 8.451 0.534 -9.797 308 H GLU 43 H GLU 43 5.734 -1.572 -10.740 309 HA GLU 43 HA GLU 43 4.754 0.952 -11.759 310 HB2 GLU 43 1HB GLU 43 3.953 -1.921 -12.207 311 HB3 GLU 43 2HB GLU 43 3.176 -0.548 -13.031 312 HG2 GLU 43 1HG GLU 43 5.369 0.035 -14.119 313 HG3 GLU 43 2HG GLU 43 6.082 -1.244 -13.108 314 H ILE 44 H ILE 44 3.196 -1.649 -9.875 315 HA ILE 44 HA ILE 44 0.655 -0.255 -9.685 316 HB ILE 44 HB ILE 44 1.896 -2.511 -8.047 317 HG12 ILE 44 1HG1 ILE 44 -0.361 -2.572 -10.029 318 HG13 ILE 44 2HG1 ILE 44 1.338 -2.912 -10.431 319 HG21 ILE 44 1HG2 ILE 44 -0.363 -2.835 -7.100 320 HG22 ILE 44 2HG2 ILE 44 0.285 -1.235 -6.673 321 HG23 ILE 44 3HG2 ILE 44 -0.934 -1.386 -7.961 322 HD11 ILE 44 3HD1 ILE 44 -0.359 -4.453 -8.436 323 HD12 ILE 44 1HD1 ILE 44 0.074 -4.997 -10.074 324 HD13 ILE 44 2HD1 ILE 44 1.340 -4.793 -8.839 325 H PHE 45 H PHE 45 3.474 -0.434 -7.543 326 HA PHE 45 HA PHE 45 2.451 1.214 -5.462 327 HB2 PHE 45 1HB PHE 45 4.646 -0.009 -5.392 328 HB3 PHE 45 2HB PHE 45 5.301 1.176 -6.544 329 HD1 PHE 45 1HD PHE 45 4.140 0.619 -3.112 330 HD2 PHE 45 2HD PHE 45 5.854 3.394 -5.873 331 HE1 PHE 45 1HE PHE 45 4.779 2.092 -1.232 332 HE2 PHE 45 2HE PHE 45 6.496 4.868 -3.995 333 HZ PHE 45 HZ PHE 45 5.957 4.216 -1.674 334 H GLY 46 H GLY 46 4.095 2.138 -8.489 335 HA2 GLY 46 1HA GLY 46 3.970 4.961 -7.948 336 HA3 GLY 46 2HA GLY 46 4.268 4.200 -9.528 337 H ASP 47 H ASP 47 1.763 2.637 -9.392 338 HA ASP 47 HA ASP 47 -0.020 4.586 -10.592 339 HB2 ASP 47 1HB ASP 47 -0.458 1.649 -9.785 340 HB3 ASP 47 2HB ASP 47 -1.624 2.803 -10.478 341 H SER 48 H SER 48 0.124 2.992 -7.430 342 HA SER 48 HA SER 48 -2.348 4.217 -6.403 343 HB2 SER 48 1HB SER 48 -1.780 3.344 -4.366 344 HB3 SER 48 2HB SER 48 -1.539 2.123 -5.637 345 HG SER 48 HG SER 48 0.701 2.606 -5.531 346 H ASP 49 H ASP 49 1.034 5.127 -6.718 347 HA ASP 49 HA ASP 49 0.853 7.344 -4.803 348 HB2 ASP 49 1HB ASP 49 3.068 6.131 -5.464 349 HB3 ASP 49 2HB ASP 49 2.730 6.902 -7.033 350 H THR 50 H THR 50 -1.149 8.228 -5.634 351 HA THR 50 HA THR 50 -1.388 9.222 -8.311 352 HB THR 50 HB THR 50 -2.764 10.161 -5.759 353 HG1 THR 50 1HG THR 50 -4.447 8.779 -6.580 354 HG21 THR 50 1HG2 THR 50 -4.476 11.069 -7.292 355 HG22 THR 50 2HG2 THR 50 -2.892 11.830 -7.577 356 HG23 THR 50 3HG2 THR 50 -3.489 10.574 -8.687 357 H ASP 51 H ASP 51 -0.197 10.727 -5.333 358 HA ASP 51 HA ASP 51 0.108 13.345 -6.602 359 HB2 ASP 51 1HB ASP 51 1.123 12.257 -3.907 360 HB3 ASP 51 2HB ASP 51 1.392 13.851 -4.654 361 H LYS 52 H LYS 52 1.846 10.462 -6.743 362 HA LYS 52 HA LYS 52 3.994 9.937 -7.466 363 HB2 LYS 52 1HB LYS 52 3.797 12.661 -8.760 364 HB3 LYS 52 2HB LYS 52 4.939 11.362 -9.183 365 HG2 LYS 52 1HG LYS 52 1.921 11.140 -9.424 366 HG3 LYS 52 2HG LYS 52 3.001 11.592 -10.764 367 HD2 LYS 52 1HD LYS 52 4.196 9.450 -10.523 368 HD3 LYS 52 2HD LYS 52 3.110 8.997 -9.188 369 HE2 LYS 52 1HE LYS 52 1.182 9.173 -10.742 370 HE3 LYS 52 2HE LYS 52 2.313 9.524 -12.067 371 HZ1 LYS 52 3HZ LYS 52 2.256 7.042 -10.474 372 HZ2 LYS 52 1HZ LYS 52 1.694 7.204 -12.017 373 HZ3 LYS 52 2HZ LYS 52 3.306 7.367 -11.705 374 H ASN 53 H ASN 53 3.959 10.803 -4.900 375 HA ASN 53 HA ASN 53 6.197 12.779 -4.691 376 HB2 ASN 53 1HB ASN 53 5.346 13.271 -2.390 377 HB3 ASN 53 2HB ASN 53 4.144 13.053 -3.686 378 HD21 ASN 53 2HD2 ASN 53 3.454 12.958 -1.030 379 HD22 ASN 53 1HD2 ASN 53 2.977 11.344 -0.615 380 H GLY 54 H GLY 54 5.848 9.549 -4.988 381 HA2 GLY 54 1HA GLY 54 7.805 8.167 -4.956 382 HA3 GLY 54 2HA GLY 54 8.476 9.169 -3.649 383 H ARG 55 H ARG 55 5.394 8.872 -2.737 384 HA ARG 55 HA ARG 55 5.703 6.209 -1.430 385 HB2 ARG 55 1HB ARG 55 5.246 8.740 0.086 386 HB3 ARG 55 2HB ARG 55 5.137 7.083 0.723 387 HG2 ARG 55 1HG ARG 55 7.650 8.277 -0.482 388 HG3 ARG 55 2HG ARG 55 7.279 8.290 1.260 389 HD2 ARG 55 1HD ARG 55 7.169 5.826 1.178 390 HD3 ARG 55 2HD ARG 55 7.738 5.911 -0.505 391 HE ARG 55 HE ARG 55 9.488 6.343 1.871 392 HH11 ARG 55 1HH1 ARG 55 9.152 6.618 -1.589 393 HH12 ARG 55 2HH1 ARG 55 10.893 6.745 -1.754 394 HH21 ARG 55 1HH2 ARG 55 11.483 6.479 1.699 395 HH22 ARG 55 2HH2 ARG 55 12.223 6.665 0.120 396 H ILE 56 H ILE 56 3.743 5.572 -0.218 397 HA ILE 56 HA ILE 56 1.285 6.539 -1.636 398 HB ILE 56 HB ILE 56 1.796 4.066 0.080 399 HG12 ILE 56 1HG1 ILE 56 1.198 4.286 -2.858 400 HG13 ILE 56 2HG1 ILE 56 2.821 4.081 -2.159 401 HG21 ILE 56 1HG2 ILE 56 -0.492 3.400 -0.577 402 HG22 ILE 56 2HG2 ILE 56 -0.508 4.921 0.346 403 HG23 ILE 56 3HG2 ILE 56 -0.700 4.953 -1.422 404 HD11 ILE 56 3HD1 ILE 56 0.504 2.136 -1.875 405 HD12 ILE 56 1HD1 ILE 56 1.911 1.929 -2.941 406 HD13 ILE 56 2HD1 ILE 56 2.127 1.932 -1.175 407 H ASP 57 H ASP 57 0.100 7.993 -0.792 408 HA ASP 57 HA ASP 57 0.410 8.733 2.024 409 HB2 ASP 57 1HB ASP 57 -0.267 10.231 -0.182 410 HB3 ASP 57 2HB ASP 57 -1.831 9.608 0.401 411 H PHE 58 H PHE 58 -1.628 9.200 3.307 412 HA PHE 58 HA PHE 58 -2.843 6.710 3.996 413 HB2 PHE 58 1HB PHE 58 -2.696 8.566 5.599 414 HB3 PHE 58 2HB PHE 58 -3.761 9.560 4.580 415 HD1 PHE 58 1HD PHE 58 -3.636 6.417 6.556 416 HD2 PHE 58 2HD PHE 58 -6.050 9.494 4.836 417 HE1 PHE 58 1HE PHE 58 -5.608 5.543 7.765 418 HE2 PHE 58 2HE PHE 58 -8.023 8.625 6.046 419 HZ PHE 58 HZ PHE 58 -7.801 6.647 7.509 420 H ASP 59 H ASP 59 -4.265 9.504 2.273 421 HA ASP 59 HA ASP 59 -6.752 8.172 1.717 422 HB2 ASP 59 1HB ASP 59 -5.402 10.567 0.334 423 HB3 ASP 59 2HB ASP 59 -6.961 9.792 -0.037 424 H GLU 60 H GLU 60 -3.685 8.341 -0.029 425 HA GLU 60 HA GLU 60 -4.655 7.023 -2.415 426 HB2 GLU 60 1HB GLU 60 -1.908 7.289 -1.189 427 HB3 GLU 60 2HB GLU 60 -2.230 6.521 -2.763 428 HG2 GLU 60 1HG GLU 60 -3.058 8.707 -3.669 429 HG3 GLU 60 2HG GLU 60 -2.915 9.330 -2.010 430 H PHE 61 H PHE 61 -3.283 5.858 0.632 431 HA PHE 61 HA PHE 61 -3.196 3.078 -0.102 432 HB2 PHE 61 1HB PHE 61 -2.049 3.879 1.906 433 HB3 PHE 61 2HB PHE 61 -3.592 4.415 2.610 434 HD1 PHE 61 1HD PHE 61 -1.572 1.484 1.657 435 HD2 PHE 61 2HD PHE 61 -5.038 2.916 3.704 436 HE1 PHE 61 1HE PHE 61 -1.845 -0.723 2.736 437 HE2 PHE 61 2HE PHE 61 -5.312 0.712 4.787 438 HZ PHE 61 HZ PHE 61 -3.715 -1.110 4.301 439 H LEU 62 H LEU 62 -5.755 5.074 1.360 440 HA LEU 62 HA LEU 62 -7.634 2.959 1.739 441 HB2 LEU 62 1HB LEU 62 -7.568 5.821 1.531 442 HB3 LEU 62 2HB LEU 62 -9.203 5.200 1.211 443 HG LEU 62 HG LEU 62 -9.354 4.223 3.392 444 HD11 LEU 62 1HD1 LEU 62 -7.449 4.330 5.021 445 HD12 LEU 62 2HD1 LEU 62 -7.000 3.419 3.561 446 HD13 LEU 62 3HD1 LEU 62 -6.442 5.096 3.771 447 HD21 LEU 62 3HD2 LEU 62 -9.842 6.596 3.298 448 HD22 LEU 62 1HD2 LEU 62 -9.105 6.190 4.866 449 HD23 LEU 62 2HD2 LEU 62 -8.134 6.990 3.607 450 H LYS 63 H LYS 63 -7.072 5.086 -1.055 451 HA LYS 63 HA LYS 63 -9.207 3.928 -2.636 452 HB2 LYS 63 1HB LYS 63 -6.727 5.489 -3.363 453 HB3 LYS 63 2HB LYS 63 -7.969 4.983 -4.533 454 HG2 LYS 63 1HG LYS 63 -9.651 6.314 -3.339 455 HG3 LYS 63 2HG LYS 63 -8.425 6.804 -2.145 456 HD2 LYS 63 1HD LYS 63 -7.114 7.868 -3.959 457 HD3 LYS 63 2HD LYS 63 -8.387 7.422 -5.119 458 HE2 LYS 63 1HE LYS 63 -10.011 8.772 -3.875 459 HE3 LYS 63 2HE LYS 63 -8.759 9.198 -2.687 460 HZ1 LYS 63 3HZ LYS 63 -8.711 9.896 -5.553 461 HZ2 LYS 63 1HZ LYS 63 -9.064 10.933 -4.320 462 HZ3 LYS 63 2HZ LYS 63 -7.549 10.292 -4.451 463 H MET 64 H MET 64 -5.734 3.273 -2.342 464 HA MET 64 HA MET 64 -5.585 1.411 -4.522 465 HB2 MET 64 1HB MET 64 -3.629 2.427 -3.536 466 HB3 MET 64 2HB MET 64 -3.982 1.649 -1.974 467 HG2 MET 64 1HG MET 64 -3.657 -0.565 -3.037 468 HG3 MET 64 2HG MET 64 -3.226 0.253 -4.559 469 HE1 MET 64 3HE MET 64 -2.151 -0.683 -0.925 470 HE2 MET 64 1HE MET 64 -0.705 0.325 -0.672 471 HE3 MET 64 2HE MET 64 -2.313 1.085 -0.783 472 H MET 65 H MET 65 -6.179 0.922 -1.043 473 HA MET 65 HA MET 65 -6.323 -1.981 -1.353 474 HB2 MET 65 1HB MET 65 -7.057 -0.093 0.882 475 HB3 MET 65 2HB MET 65 -7.185 -1.866 0.987 476 HG2 MET 65 1HG MET 65 -4.646 -0.262 0.551 477 HG3 MET 65 2HG MET 65 -5.135 -1.065 2.062 478 HE1 MET 65 3HE MET 65 -6.270 -3.822 1.246 479 HE2 MET 65 1HE MET 65 -4.810 -4.841 1.228 480 HE3 MET 65 2HE MET 65 -5.025 -3.615 2.502 481 H GLU 66 H GLU 66 -8.650 0.671 -1.190 482 HA GLU 66 HA GLU 66 -11.024 -0.918 -1.093 483 HB2 GLU 66 1HB GLU 66 -10.946 1.517 -0.777 484 HB3 GLU 66 2HB GLU 66 -10.528 1.713 -2.497 485 HG2 GLU 66 1HG GLU 66 -12.786 0.732 -3.119 486 HG3 GLU 66 2HG GLU 66 -13.029 0.526 -1.369 487 H ASN 67 H ASN 67 -8.986 0.079 -3.818 488 HA ASN 67 HA ASN 67 -10.632 -1.708 -5.576 489 HB2 ASN 67 1HB ASN 67 -8.677 0.485 -6.593 490 HB3 ASN 67 2HB ASN 67 -9.682 -0.809 -7.291 491 HD21 ASN 67 2HD2 ASN 67 -9.572 2.379 -6.067 492 HD22 ASN 67 1HD2 ASN 67 -11.247 2.772 -6.277 493 H VAL 68 H VAL 68 -8.751 -2.702 -3.618 494 HA VAL 68 HA VAL 68 -6.231 -3.401 -4.853 495 HB VAL 68 HB VAL 68 -6.796 -3.592 -2.373 496 HG11 VAL 68 1HG1 VAL 68 -7.868 -5.700 -1.652 497 HG12 VAL 68 2HG1 VAL 68 -8.983 -4.715 -2.629 498 HG13 VAL 68 3HG1 VAL 68 -8.174 -6.126 -3.353 499 HG21 VAL 68 3HG2 VAL 68 -4.775 -4.538 -3.317 500 HG22 VAL 68 1HG2 VAL 68 -5.436 -5.597 -2.050 501 HG23 VAL 68 2HG2 VAL 68 -5.655 -6.019 -3.765 502 H GLN 69 H GLN 69 -5.520 -5.016 -6.029 503 HA GLN 69 HA GLN 69 -7.335 -6.250 -7.858 504 HB2 GLN 69 1HB GLN 69 -4.524 -7.031 -7.052 505 HB3 GLN 69 2HB GLN 69 -5.408 -7.675 -8.456 506 HG2 GLN 69 1HG GLN 69 -4.401 -4.704 -8.250 507 HG3 GLN 69 2HG GLN 69 -3.898 -6.196 -9.078 508 HE21 GLN 69 2HE2 GLN 69 -5.572 -3.338 -9.401 509 HE22 GLN 69 1HE2 GLN 69 -6.585 -3.751 -10.744 Start of MODEL 12 1 H1 SER 1 1H SER 1 -16.300 -0.753 3.527 2 H2 SER 1 2H SER 1 -16.249 -1.491 4.832 3 H3 SER 1 3H SER 1 -15.766 -0.073 4.753 4 HA SER 1 HA SER 1 -14.099 -2.413 4.313 5 HB2 SER 1 1HB SER 1 -14.341 -0.656 1.946 6 HB3 SER 1 2HB SER 1 -13.153 -1.950 2.229 7 HG SER 1 HG SER 1 -14.957 -2.652 1.005 8 H GLU 2 H GLU 2 -14.410 1.129 3.934 9 HA GLU 2 HA GLU 2 -11.600 1.698 4.178 10 HB2 GLU 2 1HB GLU 2 -14.067 3.366 4.678 11 HB3 GLU 2 2HB GLU 2 -12.404 3.999 4.742 12 HG2 GLU 2 1HG GLU 2 -12.112 3.462 2.301 13 HG3 GLU 2 2HG GLU 2 -13.710 2.689 2.393 14 H GLU 3 H GLU 3 -14.155 1.240 6.541 15 HA GLU 3 HA GLU 3 -12.710 2.295 8.802 16 HB2 GLU 3 1HB GLU 3 -14.903 0.236 8.550 17 HB3 GLU 3 2HB GLU 3 -14.257 0.814 10.105 18 HG2 GLU 3 1HG GLU 3 -15.054 3.147 9.545 19 HG3 GLU 3 2HG GLU 3 -15.537 2.472 7.972 20 H GLU 4 H GLU 4 -12.741 -0.853 7.215 21 HA GLU 4 HA GLU 4 -10.988 -2.058 9.238 22 HB2 GLU 4 1HB GLU 4 -11.821 -2.911 6.463 23 HB3 GLU 4 2HB GLU 4 -10.789 -3.871 7.550 24 HG2 GLU 4 1HG GLU 4 -12.720 -4.002 9.198 25 HG3 GLU 4 2HG GLU 4 -13.600 -2.978 8.042 26 H LEU 5 H LEU 5 -10.617 -0.461 6.118 27 HA LEU 5 HA LEU 5 -7.814 -1.135 5.818 28 HB2 LEU 5 1HB LEU 5 -9.576 0.986 4.788 29 HB3 LEU 5 2HB LEU 5 -7.916 0.869 4.159 30 HG LEU 5 HG LEU 5 -10.125 -1.207 3.883 31 HD11 LEU 5 1HD1 LEU 5 -9.907 -0.707 1.434 32 HD12 LEU 5 2HD1 LEU 5 -10.357 0.748 2.353 33 HD13 LEU 5 3HD1 LEU 5 -8.677 0.523 1.809 34 HD21 LEU 5 3HD2 LEU 5 -7.972 -2.280 4.194 35 HD22 LEU 5 1HD2 LEU 5 -8.509 -2.474 2.508 36 HD23 LEU 5 2HD2 LEU 5 -7.254 -1.278 2.911 37 H SER 6 H SER 6 -9.548 1.324 7.584 38 HA SER 6 HA SER 6 -7.459 3.156 8.249 39 HB2 SER 6 1HB SER 6 -9.722 2.164 9.870 40 HB3 SER 6 2HB SER 6 -8.622 3.495 10.293 41 HG SER 6 HG SER 6 -10.525 4.216 9.242 42 H GLU 7 H GLU 7 -8.284 -0.067 9.567 43 HA GLU 7 HA GLU 7 -6.142 0.016 11.562 44 HB2 GLU 7 1HB GLU 7 -7.900 -2.206 10.516 45 HB3 GLU 7 2HB GLU 7 -6.707 -2.393 11.825 46 HG2 GLU 7 1HG GLU 7 -8.020 -0.730 13.217 47 HG3 GLU 7 2HG GLU 7 -9.073 -0.564 11.793 48 H CYS 8 H CYS 8 -6.607 -1.472 8.374 49 HA CYS 8 HA CYS 8 -4.215 -3.039 8.219 50 HB2 CYS 8 1HB CYS 8 -5.899 -1.452 6.234 51 HB3 CYS 8 2HB CYS 8 -4.680 -2.666 5.774 52 HG CYS 8 HG CYS 8 -5.795 -4.625 7.004 53 H PHE 9 H PHE 9 -4.854 0.401 7.441 54 HA PHE 9 HA PHE 9 -2.309 1.058 6.373 55 HB2 PHE 9 1HB PHE 9 -4.250 2.590 6.276 56 HB3 PHE 9 2HB PHE 9 -4.177 2.799 8.040 57 HD1 PHE 9 1HD PHE 9 -2.329 3.381 4.883 58 HD2 PHE 9 2HD PHE 9 -2.768 4.365 9.018 59 HE1 PHE 9 1HE PHE 9 -0.778 5.283 4.594 60 HE2 PHE 9 2HE PHE 9 -1.220 6.270 8.731 61 HZ PHE 9 HZ PHE 9 -0.223 6.728 6.517 62 H ARG 10 H ARG 10 -3.418 1.155 9.761 63 HA ARG 10 HA ARG 10 -0.884 2.054 10.807 64 HB2 ARG 10 1HB ARG 10 -3.187 0.670 12.098 65 HB3 ARG 10 2HB ARG 10 -1.714 1.183 12.953 66 HG2 ARG 10 1HG ARG 10 -2.149 3.509 12.366 67 HG3 ARG 10 2HG ARG 10 -3.582 3.024 11.428 68 HD2 ARG 10 1HD ARG 10 -4.645 2.248 13.454 69 HD3 ARG 10 2HD ARG 10 -3.212 2.726 14.392 70 HE ARG 10 HE ARG 10 -4.224 5.117 13.146 71 HH11 ARG 10 1HH1 ARG 10 -5.346 2.774 15.471 72 HH12 ARG 10 2HH1 ARG 10 -6.306 4.009 16.261 73 HH21 ARG 10 1HH2 ARG 10 -5.325 6.542 14.034 74 HH22 ARG 10 2HH2 ARG 10 -6.296 6.157 15.442 75 H ILE 11 H ILE 11 -2.216 -1.133 10.099 76 HA ILE 11 HA ILE 11 -0.100 -2.636 11.391 77 HB ILE 11 HB ILE 11 -2.010 -3.312 9.112 78 HG12 ILE 11 1HG1 ILE 11 -1.955 -4.312 11.944 79 HG13 ILE 11 2HG1 ILE 11 -2.914 -2.918 11.395 80 HG21 ILE 11 1HG2 ILE 11 -1.287 -5.655 9.425 81 HG22 ILE 11 2HG2 ILE 11 0.071 -4.631 8.905 82 HG23 ILE 11 3HG2 ILE 11 -0.070 -5.122 10.609 83 HD11 ILE 11 3HD1 ILE 11 -3.170 -5.767 10.369 84 HD12 ILE 11 1HD1 ILE 11 -4.289 -4.960 11.493 85 HD13 ILE 11 2HD1 ILE 11 -4.130 -4.372 9.820 86 H PHE 12 H PHE 12 -0.479 -1.362 8.110 87 HA PHE 12 HA PHE 12 2.008 -2.672 7.246 88 HB2 PHE 12 1HB PHE 12 0.102 -0.720 5.892 89 HB3 PHE 12 2HB PHE 12 1.564 -1.375 5.121 90 HD1 PHE 12 2HD PHE 12 1.704 -4.071 5.433 91 HD2 PHE 12 1HD PHE 12 -1.842 -1.694 5.281 92 HE1 PHE 12 2HE PHE 12 0.420 -6.040 4.666 93 HE2 PHE 12 1HE PHE 12 -3.129 -3.661 4.517 94 HZ PHE 12 HZ PHE 12 -1.999 -5.834 4.209 95 H ASP 13 H ASP 13 1.022 0.467 8.441 96 HA ASP 13 HA ASP 13 3.634 1.687 7.883 97 HB2 ASP 13 1HB ASP 13 1.367 2.988 8.189 98 HB3 ASP 13 2HB ASP 13 1.607 2.460 9.874 99 H LYS 14 H LYS 14 4.942 -0.044 8.747 100 HA LYS 14 HA LYS 14 4.641 -0.778 11.557 101 HB2 LYS 14 1HB LYS 14 6.781 -1.360 9.505 102 HB3 LYS 14 2HB LYS 14 6.742 -2.037 11.150 103 HG2 LYS 14 1HG LYS 14 4.697 -3.231 10.677 104 HG3 LYS 14 2HG LYS 14 4.549 -2.437 9.091 105 HD2 LYS 14 1HD LYS 14 6.634 -3.522 8.354 106 HD3 LYS 14 2HD LYS 14 6.780 -4.317 9.939 107 HE2 LYS 14 1HE LYS 14 4.803 -5.603 9.574 108 HE3 LYS 14 2HE LYS 14 4.374 -4.654 8.133 109 HZ1 LYS 14 3HZ LYS 14 6.715 -6.433 8.379 110 HZ2 LYS 14 1HZ LYS 14 5.333 -6.776 7.547 111 HZ3 LYS 14 2HZ LYS 14 6.318 -5.552 7.042 112 H ASP 15 H ASP 15 6.377 1.651 9.823 113 HA ASP 15 HA ASP 15 8.248 2.109 12.082 114 HB2 ASP 15 1HB ASP 15 7.966 3.614 9.409 115 HB3 ASP 15 2HB ASP 15 9.079 3.860 10.778 116 H GLY 16 H GLY 16 5.174 3.165 10.979 117 HA2 GLY 16 1HA GLY 16 3.690 4.645 11.986 118 HA3 GLY 16 2HA GLY 16 4.896 4.942 13.260 119 H ASN 17 H ASN 17 5.185 5.358 9.729 120 HA ASN 17 HA ASN 17 6.373 8.022 10.194 121 HB2 ASN 17 1HB ASN 17 6.127 6.504 7.487 122 HB3 ASN 17 2HB ASN 17 6.684 8.110 8.017 123 HD21 ASN 17 2HD2 ASN 17 8.030 5.723 6.784 124 HD22 ASN 17 1HD2 ASN 17 9.396 5.420 7.805 125 H GLY 18 H GLY 18 3.304 6.721 9.415 126 HA2 GLY 18 1HA GLY 18 1.318 8.021 9.323 127 HA3 GLY 18 2HA GLY 18 2.288 9.465 8.950 128 H PHE 19 H PHE 19 3.210 6.699 7.180 129 HA PHE 19 HA PHE 19 1.266 6.863 5.031 130 HB2 PHE 19 1HB PHE 19 2.758 7.814 3.312 131 HB3 PHE 19 2HB PHE 19 2.477 8.998 4.609 132 HD1 PHE 19 1HD PHE 19 4.912 6.704 3.090 133 HD2 PHE 19 2HD PHE 19 4.234 9.750 6.007 134 HE1 PHE 19 1HE PHE 19 7.353 6.983 3.363 135 HE2 PHE 19 2HE PHE 19 6.675 10.034 6.282 136 HZ PHE 19 HZ PHE 19 8.234 8.648 4.959 137 H ILE 20 H ILE 20 1.869 5.556 3.160 138 HA ILE 20 HA ILE 20 3.671 3.304 3.994 139 HB ILE 20 HB ILE 20 1.530 3.393 1.820 140 HG12 ILE 20 1HG1 ILE 20 0.506 3.593 3.961 141 HG13 ILE 20 2HG1 ILE 20 0.206 1.984 3.265 142 HG21 ILE 20 1HG2 ILE 20 1.846 0.942 1.778 143 HG22 ILE 20 2HG2 ILE 20 3.359 1.790 1.381 144 HG23 ILE 20 3HG2 ILE 20 3.132 1.087 2.999 145 HD11 ILE 20 3HD1 ILE 20 2.243 2.636 5.424 146 HD12 ILE 20 1HD1 ILE 20 0.676 1.834 5.678 147 HD13 ILE 20 2HD1 ILE 20 1.944 1.028 4.726 148 H ASP 21 H ASP 21 5.606 3.293 3.294 149 HA ASP 21 HA ASP 21 6.245 4.662 0.734 150 HB2 ASP 21 1HB ASP 21 8.560 4.573 1.460 151 HB3 ASP 21 2HB ASP 21 7.464 4.940 2.816 152 H ARG 22 H ARG 22 8.347 3.310 -0.224 153 HA ARG 22 HA ARG 22 6.893 1.518 -1.923 154 HB2 ARG 22 1HB ARG 22 8.789 2.837 -2.641 155 HB3 ARG 22 2HB ARG 22 9.854 1.795 -1.668 156 HG2 ARG 22 1HG ARG 22 9.223 -0.142 -3.024 157 HG3 ARG 22 2HG ARG 22 8.115 0.874 -3.979 158 HD2 ARG 22 1HD ARG 22 10.092 0.489 -5.218 159 HD3 ARG 22 2HD ARG 22 10.043 2.196 -4.716 160 HE ARG 22 HE ARG 22 12.090 1.750 -3.408 161 HH11 ARG 22 1HH1 ARG 22 10.709 -1.259 -4.502 162 HH12 ARG 22 2HH1 ARG 22 12.175 -2.104 -4.046 163 HH21 ARG 22 1HH2 ARG 22 13.772 0.795 -2.873 164 HH22 ARG 22 2HH2 ARG 22 13.922 -0.935 -3.117 165 H GLU 23 H GLU 23 9.206 0.904 0.709 166 HA GLU 23 HA GLU 23 9.241 -1.964 0.264 167 HB2 GLU 23 1HB GLU 23 10.032 -0.230 2.606 168 HB3 GLU 23 2HB GLU 23 10.251 -1.996 2.554 169 HG2 GLU 23 1HG GLU 23 11.819 -1.728 0.593 170 HG3 GLU 23 2HG GLU 23 11.407 0.001 0.653 171 H GLU 24 H GLU 24 7.428 0.179 2.431 172 HA GLU 24 HA GLU 24 6.087 -1.960 3.840 173 HB2 GLU 24 1HB GLU 24 5.325 0.924 3.356 174 HB3 GLU 24 2HB GLU 24 4.471 -0.187 4.455 175 HG2 GLU 24 1HG GLU 24 6.492 -0.323 5.919 176 HG3 GLU 24 2HG GLU 24 7.355 0.570 4.645 177 H PHE 25 H PHE 25 5.470 -0.280 0.818 178 HA PHE 25 HA PHE 25 2.835 -1.419 0.402 179 HB2 PHE 25 1HB PHE 25 3.584 0.569 -0.851 180 HB3 PHE 25 2HB PHE 25 4.889 -0.380 -1.598 181 HD1 PHE 25 1HD PHE 25 1.180 -0.559 -1.154 182 HD2 PHE 25 2HD PHE 25 4.557 -1.118 -3.711 183 HE1 PHE 25 1HE PHE 25 -0.331 -1.174 -3.012 184 HE2 PHE 25 2HE PHE 25 3.048 -1.731 -5.571 185 HZ PHE 25 HZ PHE 25 0.604 -1.760 -5.220 186 H GLY 26 H GLY 26 6.127 -2.461 -0.384 187 HA2 GLY 26 1HA GLY 26 5.534 -4.758 -1.895 188 HA3 GLY 26 2HA GLY 26 6.916 -4.597 -0.787 189 H ASP 27 H ASP 27 5.425 -4.241 1.619 190 HA ASP 27 HA ASP 27 4.818 -6.996 2.284 191 HB2 ASP 27 1HB ASP 27 4.386 -4.384 3.853 192 HB3 ASP 27 2HB ASP 27 3.959 -6.051 4.314 193 H ILE 28 H ILE 28 2.870 -4.184 1.428 194 HA ILE 28 HA ILE 28 0.309 -5.321 2.108 195 HB ILE 28 HB ILE 28 1.143 -3.236 0.045 196 HG12 ILE 28 1HG1 ILE 28 -0.311 -2.934 2.657 197 HG13 ILE 28 2HG1 ILE 28 1.441 -2.720 2.440 198 HG21 ILE 28 1HG2 ILE 28 -1.261 -2.696 -0.140 199 HG22 ILE 28 2HG2 ILE 28 -0.937 -4.359 -0.678 200 HG23 ILE 28 3HG2 ILE 28 -1.652 -4.066 0.925 201 HD11 ILE 28 3HD1 ILE 28 -0.732 -1.096 1.071 202 HD12 ILE 28 1HD1 ILE 28 0.273 -0.551 2.434 203 HD13 ILE 28 2HD1 ILE 28 1.020 -0.882 0.853 204 H ILE 29 H ILE 29 2.109 -5.327 -0.963 205 HA ILE 29 HA ILE 29 0.156 -7.082 -2.250 206 HB ILE 29 HB ILE 29 3.001 -6.237 -2.929 207 HG12 ILE 29 1HG1 ILE 29 0.375 -5.696 -4.289 208 HG13 ILE 29 2HG1 ILE 29 1.198 -4.596 -3.159 209 HG21 ILE 29 1HG2 ILE 29 2.697 -7.418 -5.079 210 HG22 ILE 29 2HG2 ILE 29 2.645 -8.554 -3.711 211 HG23 ILE 29 3HG2 ILE 29 1.136 -8.053 -4.510 212 HD11 ILE 29 3HD1 ILE 29 2.298 -5.554 -5.825 213 HD12 ILE 29 1HD1 ILE 29 1.618 -3.944 -5.498 214 HD13 ILE 29 2HD1 ILE 29 3.121 -4.455 -4.694 215 H ARG 30 H ARG 30 3.145 -7.584 -0.457 216 HA ARG 30 HA ARG 30 3.462 -10.360 -0.929 217 HB2 ARG 30 1HB ARG 30 5.086 -9.053 0.225 218 HB3 ARG 30 2HB ARG 30 3.969 -8.844 1.593 219 HG2 ARG 30 1HG ARG 30 4.027 -11.234 2.047 220 HG3 ARG 30 2HG ARG 30 5.061 -11.503 0.623 221 HD2 ARG 30 1HD ARG 30 6.835 -10.258 1.650 222 HD3 ARG 30 2HD ARG 30 5.802 -9.906 3.055 223 HE ARG 30 HE ARG 30 6.110 -12.783 2.873 224 HH11 ARG 30 1HH1 ARG 30 8.069 -9.976 3.534 225 HH12 ARG 30 2HH1 ARG 30 9.103 -10.935 4.575 226 HH21 ARG 30 1HH2 ARG 30 7.291 -13.898 4.055 227 HH22 ARG 30 2HH2 ARG 30 8.661 -13.172 4.871 228 H LEU 31 H LEU 31 1.296 -8.679 1.324 229 HA LEU 31 HA LEU 31 0.348 -11.223 2.449 230 HB2 LEU 31 1HB LEU 31 0.592 -9.333 3.755 231 HB3 LEU 31 2HB LEU 31 -0.566 -8.323 2.859 232 HG LEU 31 HG LEU 31 -2.356 -9.993 3.461 233 HD11 LEU 31 1HD1 LEU 31 -1.879 -11.514 5.398 234 HD12 LEU 31 2HD1 LEU 31 -0.845 -11.900 4.003 235 HD13 LEU 31 3HD1 LEU 31 -0.181 -10.984 5.376 236 HD21 LEU 31 3HD2 LEU 31 -2.151 -7.883 4.638 237 HD22 LEU 31 1HD2 LEU 31 -2.637 -9.166 5.772 238 HD23 LEU 31 2HD2 LEU 31 -0.954 -8.587 5.752 239 H THR 32 H THR 32 -1.113 -8.624 0.459 240 HA THR 32 HA THR 32 -3.499 -10.416 0.174 241 HB THR 32 HB THR 32 -4.791 -8.372 -0.243 242 HG1 THR 32 1HG THR 32 -3.702 -6.331 0.009 243 HG21 THR 32 1HG2 THR 32 -4.608 -7.332 1.990 244 HG22 THR 32 2HG2 THR 32 -4.508 -9.106 2.100 245 HG23 THR 32 3HG2 THR 32 -3.031 -8.121 2.229 246 H GLY 33 H GLY 33 -0.904 -9.005 -1.525 247 HA2 GLY 33 1HA GLY 33 -2.354 -9.087 -4.112 248 HA3 GLY 33 2HA GLY 33 -0.727 -8.426 -3.829 249 H GLU 34 H GLU 34 -2.377 -11.577 -3.318 250 HA GLU 34 HA GLU 34 0.063 -13.080 -3.586 251 HB2 GLU 34 1HB GLU 34 -2.848 -13.859 -3.772 252 HB3 GLU 34 2HB GLU 34 -1.501 -15.021 -3.833 253 HG2 GLU 34 1HG GLU 34 -0.832 -14.327 -1.491 254 HG3 GLU 34 2HG GLU 34 -2.143 -13.131 -1.607 255 H GLN 35 H GLN 35 -2.225 -11.869 -5.905 256 HA GLN 35 HA GLN 35 -1.216 -13.691 -8.014 257 HB2 GLN 35 1HB GLN 35 -3.226 -11.430 -8.105 258 HB3 GLN 35 2HB GLN 35 -2.850 -12.552 -9.435 259 HG2 GLN 35 1HG GLN 35 -4.395 -13.377 -6.827 260 HG3 GLN 35 2HG GLN 35 -4.770 -13.080 -8.540 261 HE21 GLN 35 2HE2 GLN 35 -4.125 -15.419 -6.266 262 HE22 GLN 35 1HE2 GLN 35 -3.608 -16.700 -7.310 263 H LEU 36 H LEU 36 -0.177 -10.888 -6.607 264 HA LEU 36 HA LEU 36 0.866 -9.751 -9.161 265 HB2 LEU 36 1HB LEU 36 0.893 -8.827 -6.363 266 HB3 LEU 36 2HB LEU 36 1.528 -7.798 -7.666 267 HG LEU 36 HG LEU 36 -1.362 -8.682 -7.304 268 HD11 LEU 36 1HD1 LEU 36 -1.783 -6.242 -6.902 269 HD12 LEU 36 2HD1 LEU 36 -0.650 -6.909 -5.703 270 HD13 LEU 36 3HD1 LEU 36 -0.037 -5.931 -7.058 271 HD21 LEU 36 3HD2 LEU 36 -0.772 -8.535 -9.651 272 HD22 LEU 36 1HD2 LEU 36 -1.849 -7.189 -9.210 273 HD23 LEU 36 2HD2 LEU 36 -0.104 -6.903 -9.410 274 H THR 37 H THR 37 3.041 -9.210 -9.432 275 HA THR 37 HA THR 37 4.828 -11.209 -8.139 276 HB THR 37 HB THR 37 6.387 -10.745 -9.923 277 HG1 THR 37 1HG THR 37 5.609 -9.087 -11.541 278 HG21 THR 37 1HG2 THR 37 5.030 -11.264 -11.920 279 HG22 THR 37 2HG2 THR 37 4.491 -12.215 -10.515 280 HG23 THR 37 3HG2 THR 37 3.555 -10.796 -11.041 281 H ASP 38 H ASP 38 7.152 -10.451 -7.861 282 HA ASP 38 HA ASP 38 7.211 -8.265 -5.952 283 HB2 ASP 38 1HB ASP 38 9.484 -9.859 -7.282 284 HB3 ASP 38 2HB ASP 38 9.585 -8.507 -6.128 285 H GLU 39 H GLU 39 7.829 -8.550 -9.388 286 HA GLU 39 HA GLU 39 9.057 -5.915 -9.629 287 HB2 GLU 39 1HB GLU 39 7.749 -7.771 -11.620 288 HB3 GLU 39 2HB GLU 39 8.522 -6.225 -12.046 289 HG2 GLU 39 1HG GLU 39 10.734 -7.131 -11.216 290 HG3 GLU 39 2HG GLU 39 9.818 -8.575 -10.729 291 H ASP 40 H ASP 40 5.779 -7.177 -9.701 292 HA ASP 40 HA ASP 40 4.505 -4.821 -10.739 293 HB2 ASP 40 1HB ASP 40 3.433 -7.011 -8.859 294 HB3 ASP 40 2HB ASP 40 2.594 -5.586 -9.522 295 H VAL 41 H VAL 41 5.832 -5.588 -7.609 296 HA VAL 41 HA VAL 41 4.400 -3.704 -5.995 297 HB VAL 41 HB VAL 41 7.286 -4.664 -5.814 298 HG11 VAL 41 1HG1 VAL 41 7.183 -3.862 -3.477 299 HG12 VAL 41 2HG1 VAL 41 6.960 -2.521 -4.625 300 HG13 VAL 41 3HG1 VAL 41 5.555 -3.207 -3.773 301 HG21 VAL 41 3HG2 VAL 41 5.673 -6.463 -5.634 302 HG22 VAL 41 1HG2 VAL 41 6.440 -6.141 -4.060 303 HG23 VAL 41 2HG2 VAL 41 4.786 -5.567 -4.378 304 H ASP 42 H ASP 42 7.451 -3.243 -7.785 305 HA ASP 42 HA ASP 42 7.662 -0.481 -6.915 306 HB2 ASP 42 1HB ASP 42 9.128 -2.003 -9.154 307 HB3 ASP 42 2HB ASP 42 9.302 -0.310 -8.630 308 H GLU 43 H GLU 43 6.351 -2.081 -9.773 309 HA GLU 43 HA GLU 43 6.061 0.380 -11.296 310 HB2 GLU 43 1HB GLU 43 4.834 -2.366 -11.551 311 HB3 GLU 43 2HB GLU 43 4.538 -1.032 -12.693 312 HG2 GLU 43 1HG GLU 43 7.010 -1.017 -13.262 313 HG3 GLU 43 2HG GLU 43 7.169 -2.285 -12.025 314 H ILE 44 H ILE 44 3.812 -1.627 -9.395 315 HA ILE 44 HA ILE 44 1.525 0.092 -9.907 316 HB ILE 44 HB ILE 44 2.095 -1.969 -7.730 317 HG12 ILE 44 1HG1 ILE 44 0.270 -2.123 -10.112 318 HG13 ILE 44 2HG1 ILE 44 1.937 -2.743 -10.076 319 HG21 ILE 44 1HG2 ILE 44 -0.323 -1.846 -7.235 320 HG22 ILE 44 2HG2 ILE 44 0.470 -0.283 -6.938 321 HG23 ILE 44 3HG2 ILE 44 -0.498 -0.522 -8.412 322 HD11 ILE 44 3HD1 ILE 44 -0.340 -3.655 -8.281 323 HD12 ILE 44 1HD1 ILE 44 0.307 -4.548 -9.676 324 HD13 ILE 44 2HD1 ILE 44 1.328 -4.275 -8.244 325 H PHE 45 H PHE 45 3.960 -0.009 -7.355 326 HA PHE 45 HA PHE 45 2.816 1.927 -5.626 327 HB2 PHE 45 1HB PHE 45 4.852 0.635 -5.060 328 HB3 PHE 45 2HB PHE 45 5.757 1.509 -6.316 329 HD1 PHE 45 1HD PHE 45 3.974 1.889 -3.096 330 HD2 PHE 45 2HD PHE 45 6.699 3.599 -5.907 331 HE1 PHE 45 1HE PHE 45 4.577 3.631 -1.449 332 HE2 PHE 45 2HE PHE 45 7.306 5.341 -4.262 333 HZ PHE 45 HZ PHE 45 6.244 5.357 -2.032 334 H GLY 46 H GLY 46 5.001 2.447 -8.405 335 HA2 GLY 46 1HA GLY 46 4.945 5.304 -8.225 336 HA3 GLY 46 2HA GLY 46 5.395 4.350 -9.658 337 H ASP 47 H ASP 47 2.898 2.937 -9.890 338 HA ASP 47 HA ASP 47 1.402 4.879 -11.434 339 HB2 ASP 47 1HB ASP 47 0.736 1.986 -10.620 340 HB3 ASP 47 2HB ASP 47 -0.242 3.141 -11.560 341 H SER 48 H SER 48 1.040 3.502 -8.208 342 HA SER 48 HA SER 48 -1.639 4.674 -7.748 343 HB2 SER 48 1HB SER 48 -1.505 3.822 -5.630 344 HB3 SER 48 2HB SER 48 -1.000 2.591 -6.810 345 HG SER 48 HG SER 48 0.359 2.666 -4.969 346 H ASP 49 H ASP 49 1.720 5.624 -7.411 347 HA ASP 49 HA ASP 49 1.157 7.819 -5.543 348 HB2 ASP 49 1HB ASP 49 3.467 6.612 -5.787 349 HB3 ASP 49 2HB ASP 49 3.438 7.430 -7.368 350 H THR 50 H THR 50 -0.661 8.669 -6.771 351 HA THR 50 HA THR 50 -0.283 9.822 -9.385 352 HB THR 50 HB THR 50 -2.300 10.516 -7.209 353 HG1 THR 50 1HG THR 50 -2.513 8.376 -7.926 354 HG21 THR 50 1HG2 THR 50 -3.617 11.483 -9.061 355 HG22 THR 50 2HG2 THR 50 -2.053 12.315 -8.885 356 HG23 THR 50 3HG2 THR 50 -2.288 11.128 -10.191 357 H ASP 51 H ASP 51 0.134 11.084 -6.112 358 HA ASP 51 HA ASP 51 0.539 13.827 -7.056 359 HB2 ASP 51 1HB ASP 51 1.001 12.543 -4.296 360 HB3 ASP 51 2HB ASP 51 1.295 14.216 -4.835 361 H LYS 52 H LYS 52 2.433 11.052 -7.067 362 HA LYS 52 HA LYS 52 4.708 10.697 -7.396 363 HB2 LYS 52 1HB LYS 52 4.560 13.541 -8.410 364 HB3 LYS 52 2HB LYS 52 5.897 12.399 -8.684 365 HG2 LYS 52 1HG LYS 52 4.380 10.924 -9.945 366 HG3 LYS 52 2HG LYS 52 3.043 12.066 -9.672 367 HD2 LYS 52 1HD LYS 52 4.319 13.817 -10.875 368 HD3 LYS 52 2HD LYS 52 5.612 12.635 -11.190 369 HE2 LYS 52 1HE LYS 52 4.074 11.243 -12.467 370 HE3 LYS 52 2HE LYS 52 2.730 12.348 -12.094 371 HZ1 LYS 52 3HZ LYS 52 5.130 13.037 -13.665 372 HZ2 LYS 52 1HZ LYS 52 3.629 12.749 -14.284 373 HZ3 LYS 52 2HZ LYS 52 3.885 14.063 -13.319 374 H ASN 53 H ASN 53 4.090 11.274 -4.807 375 HA ASN 53 HA ASN 53 6.089 13.292 -3.905 376 HB2 ASN 53 1HB ASN 53 3.950 11.848 -2.164 377 HB3 ASN 53 2HB ASN 53 5.357 12.897 -1.861 378 HD21 ASN 53 2HD2 ASN 53 2.324 13.123 -1.576 379 HD22 ASN 53 1HD2 ASN 53 1.961 14.663 -2.281 380 H GLY 54 H GLY 54 5.961 10.027 -4.609 381 HA2 GLY 54 1HA GLY 54 7.661 8.439 -4.288 382 HA3 GLY 54 2HA GLY 54 8.447 9.530 -3.123 383 H ARG 55 H ARG 55 5.083 9.104 -2.642 384 HA ARG 55 HA ARG 55 5.335 6.843 -0.779 385 HB2 ARG 55 1HB ARG 55 4.752 7.979 1.190 386 HB3 ARG 55 2HB ARG 55 6.304 8.562 0.546 387 HG2 ARG 55 1HG ARG 55 5.153 10.561 -0.353 388 HG3 ARG 55 2HG ARG 55 3.632 9.986 0.372 389 HD2 ARG 55 1HD ARG 55 4.643 10.143 2.576 390 HD3 ARG 55 2HD ARG 55 6.134 10.765 1.832 391 HE ARG 55 HE ARG 55 3.970 12.580 1.162 392 HH11 ARG 55 1HH1 ARG 55 5.765 11.554 3.971 393 HH12 ARG 55 2HH1 ARG 55 5.521 13.125 4.708 394 HH21 ARG 55 1HH2 ARG 55 3.675 14.381 1.996 395 HH22 ARG 55 2HH2 ARG 55 4.328 14.738 3.583 396 H ILE 56 H ILE 56 3.350 6.200 0.174 397 HA ILE 56 HA ILE 56 0.949 7.257 -1.298 398 HB ILE 56 HB ILE 56 1.335 4.570 0.098 399 HG12 ILE 56 1HG1 ILE 56 2.721 4.694 -1.845 400 HG13 ILE 56 2HG1 ILE 56 1.356 3.581 -2.093 401 HG21 ILE 56 1HG2 ILE 56 -0.804 3.994 -0.998 402 HG22 ILE 56 2HG2 ILE 56 -0.999 5.387 0.090 403 HG23 ILE 56 3HG2 ILE 56 -0.905 5.638 -1.669 404 HD11 ILE 56 3HD1 ILE 56 1.556 6.417 -3.165 405 HD12 ILE 56 1HD1 ILE 56 1.783 4.928 -4.111 406 HD13 ILE 56 2HD1 ILE 56 0.190 5.303 -3.413 407 H ASP 57 H ASP 57 -0.222 8.609 -0.276 408 HA ASP 57 HA ASP 57 -0.255 8.717 2.652 409 HB2 ASP 57 1HB ASP 57 -0.685 10.673 0.774 410 HB3 ASP 57 2HB ASP 57 -2.296 9.946 0.993 411 H PHE 58 H PHE 58 -2.402 8.864 3.784 412 HA PHE 58 HA PHE 58 -3.630 6.272 3.678 413 HB2 PHE 58 1HB PHE 58 -3.573 7.589 5.755 414 HB3 PHE 58 2HB PHE 58 -4.581 8.847 5.006 415 HD1 PHE 58 1HD PHE 58 -4.587 5.220 5.857 416 HD2 PHE 58 2HD PHE 58 -6.853 8.791 5.250 417 HE1 PHE 58 1HE PHE 58 -6.622 4.063 6.653 418 HE2 PHE 58 2HE PHE 58 -8.889 7.637 6.047 419 HZ PHE 58 HZ PHE 58 -8.774 5.272 6.747 420 H ASP 59 H ASP 59 -4.652 9.435 2.428 421 HA ASP 59 HA ASP 59 -7.223 8.647 1.484 422 HB2 ASP 59 1HB ASP 59 -5.272 10.751 0.370 423 HB3 ASP 59 2HB ASP 59 -6.915 10.337 -0.178 424 H GLU 60 H GLU 60 -4.017 8.332 0.001 425 HA GLU 60 HA GLU 60 -5.140 7.080 -2.413 426 HB2 GLU 60 1HB GLU 60 -2.323 7.375 -1.362 427 HB3 GLU 60 2HB GLU 60 -2.751 6.620 -2.916 428 HG2 GLU 60 1HG GLU 60 -3.188 9.576 -2.177 429 HG3 GLU 60 2HG GLU 60 -1.986 8.826 -3.250 430 H PHE 61 H PHE 61 -3.951 6.057 0.698 431 HA PHE 61 HA PHE 61 -3.353 3.332 0.058 432 HB2 PHE 61 1HB PHE 61 -2.696 4.332 2.206 433 HB3 PHE 61 2HB PHE 61 -4.405 4.550 2.648 434 HD1 PHE 61 1HD PHE 61 -1.712 2.103 2.121 435 HD2 PHE 61 2HD PHE 61 -5.713 2.760 3.467 436 HE1 PHE 61 1HE PHE 61 -1.724 -0.134 3.175 437 HE2 PHE 61 2HE PHE 61 -5.728 0.526 4.524 438 HZ PHE 61 HZ PHE 61 -3.732 -0.923 4.375 439 H LEU 62 H LEU 62 -6.400 4.894 1.019 440 HA LEU 62 HA LEU 62 -7.897 2.472 1.291 441 HB2 LEU 62 1HB LEU 62 -8.610 5.227 0.534 442 HB3 LEU 62 2HB LEU 62 -9.902 4.065 0.915 443 HG LEU 62 HG LEU 62 -7.748 5.066 2.819 444 HD11 LEU 62 1HD1 LEU 62 -9.678 6.125 4.024 445 HD12 LEU 62 2HD1 LEU 62 -9.537 6.742 2.361 446 HD13 LEU 62 3HD1 LEU 62 -10.776 5.528 2.759 447 HD21 LEU 62 3HD2 LEU 62 -8.313 2.750 3.263 448 HD22 LEU 62 1HD2 LEU 62 -8.968 3.791 4.549 449 HD23 LEU 62 2HD2 LEU 62 -10.048 3.147 3.289 450 H LYS 63 H LYS 63 -7.235 4.525 -1.511 451 HA LYS 63 HA LYS 63 -8.911 2.862 -3.267 452 HB2 LYS 63 1HB LYS 63 -6.888 5.032 -3.844 453 HB3 LYS 63 2HB LYS 63 -7.920 4.235 -5.056 454 HG2 LYS 63 1HG LYS 63 -9.923 5.126 -3.969 455 HG3 LYS 63 2HG LYS 63 -8.920 5.878 -2.706 456 HD2 LYS 63 1HD LYS 63 -8.711 6.510 -5.667 457 HD3 LYS 63 2HD LYS 63 -9.668 7.461 -4.505 458 HE2 LYS 63 1HE LYS 63 -7.586 7.815 -3.170 459 HE3 LYS 63 2HE LYS 63 -6.672 6.992 -4.454 460 HZ1 LYS 63 3HZ LYS 63 -8.245 9.467 -4.785 461 HZ2 LYS 63 1HZ LYS 63 -6.601 9.381 -4.700 462 HZ3 LYS 63 2HZ LYS 63 -7.397 8.705 -5.977 463 H MET 64 H MET 64 -5.518 3.111 -2.374 464 HA MET 64 HA MET 64 -4.485 1.560 -4.569 465 HB2 MET 64 1HB MET 64 -3.106 3.005 -3.186 466 HB3 MET 64 2HB MET 64 -3.444 1.985 -1.767 467 HG2 MET 64 1HG MET 64 -2.310 0.094 -2.882 468 HG3 MET 64 2HG MET 64 -1.934 1.152 -4.263 469 HE1 MET 64 3HE MET 64 -1.141 0.186 -0.569 470 HE2 MET 64 1HE MET 64 -0.121 1.537 -0.018 471 HE3 MET 64 2HE MET 64 -1.851 1.804 -0.344 472 H MET 65 H MET 65 -5.596 0.663 -1.318 473 HA MET 65 HA MET 65 -4.767 -2.081 -1.469 474 HB2 MET 65 1HB MET 65 -6.969 -0.713 0.073 475 HB3 MET 65 2HB MET 65 -6.497 -2.416 0.292 476 HG2 MET 65 1HG MET 65 -4.704 -0.009 0.736 477 HG3 MET 65 2HG MET 65 -5.522 -0.938 2.015 478 HE1 MET 65 3HE MET 65 -5.269 -3.908 1.279 479 HE2 MET 65 1HE MET 65 -3.697 -4.351 1.987 480 HE3 MET 65 2HE MET 65 -4.794 -3.260 2.868 481 H GLU 66 H GLU 66 -7.610 -0.402 -2.663 482 HA GLU 66 HA GLU 66 -9.070 -2.810 -3.370 483 HB2 GLU 66 1HB GLU 66 -9.179 0.038 -4.369 484 HB3 GLU 66 2HB GLU 66 -10.277 -1.254 -4.914 485 HG2 GLU 66 1HG GLU 66 -11.135 -1.481 -2.537 486 HG3 GLU 66 2HG GLU 66 -9.926 -0.245 -2.121 487 H ASN 67 H ASN 67 -6.580 -0.884 -4.933 488 HA ASN 67 HA ASN 67 -6.825 -2.276 -7.494 489 HB2 ASN 67 1HB ASN 67 -4.483 -0.463 -6.532 490 HB3 ASN 67 2HB ASN 67 -4.829 -1.452 -7.972 491 HD21 ASN 67 2HD2 ASN 67 -4.484 1.481 -7.528 492 HD22 ASN 67 1HD2 ASN 67 -5.891 2.205 -8.234 493 H VAL 68 H VAL 68 -5.001 -2.728 -4.525 494 HA VAL 68 HA VAL 68 -3.249 -4.803 -5.654 495 HB VAL 68 HB VAL 68 -3.921 -4.030 -2.784 496 HG11 VAL 68 1HG1 VAL 68 -1.968 -5.422 -2.178 497 HG12 VAL 68 2HG1 VAL 68 -3.235 -6.399 -2.959 498 HG13 VAL 68 3HG1 VAL 68 -1.791 -5.914 -3.879 499 HG21 VAL 68 3HG2 VAL 68 -2.742 -2.286 -3.983 500 HG22 VAL 68 1HG2 VAL 68 -1.684 -3.044 -2.770 501 HG23 VAL 68 2HG2 VAL 68 -1.497 -3.450 -4.493 502 H GLN 69 H GLN 69 -6.128 -4.841 -3.557 503 HA GLN 69 HA GLN 69 -6.216 -7.741 -3.504 504 HB2 GLN 69 1HB GLN 69 -7.207 -6.301 -1.767 505 HB3 GLN 69 2HB GLN 69 -8.370 -5.685 -2.965 506 HG2 GLN 69 1HG GLN 69 -9.381 -8.167 -3.071 507 HG3 GLN 69 2HG GLN 69 -7.944 -8.393 -2.047 508 HE21 GLN 69 2HE2 GLN 69 -10.540 -9.194 -1.304 509 HE22 GLN 69 1HE2 GLN 69 -11.046 -8.235 0.046 Start of MODEL 13 1 H1 SER 1 1H SER 1 -17.683 1.913 7.739 2 H2 SER 1 2H SER 1 -17.222 1.038 8.866 3 H3 SER 1 3H SER 1 -16.623 2.401 8.682 4 HA SER 1 HA SER 1 -15.596 -0.034 7.470 5 HB2 SER 1 1HB SER 1 -16.510 1.982 5.508 6 HB3 SER 1 2HB SER 1 -15.495 0.552 5.212 7 HG SER 1 HG SER 1 -17.713 0.174 4.784 8 H GLU 2 H GLU 2 -15.550 3.541 7.471 9 HA GLU 2 HA GLU 2 -12.835 3.793 6.548 10 HB2 GLU 2 1HB GLU 2 -14.651 5.639 8.099 11 HB3 GLU 2 2HB GLU 2 -13.026 6.093 7.530 12 HG2 GLU 2 1HG GLU 2 -13.791 5.758 5.143 13 HG3 GLU 2 2HG GLU 2 -15.328 5.203 5.844 14 H GLU 3 H GLU 3 -14.250 3.395 9.743 15 HA GLU 3 HA GLU 3 -11.829 3.980 11.215 16 HB2 GLU 3 1HB GLU 3 -14.280 2.336 11.853 17 HB3 GLU 3 2HB GLU 3 -12.953 2.632 13.003 18 HG2 GLU 3 1HG GLU 3 -13.452 5.104 12.919 19 HG3 GLU 3 2HG GLU 3 -14.650 4.700 11.668 20 H GLU 4 H GLU 4 -13.221 0.985 9.905 21 HA GLU 4 HA GLU 4 -11.071 -0.695 10.901 22 HB2 GLU 4 1HB GLU 4 -13.103 -1.038 8.694 23 HB3 GLU 4 2HB GLU 4 -11.932 -2.289 9.177 24 HG2 GLU 4 1HG GLU 4 -12.989 -2.343 11.482 25 HG3 GLU 4 2HG GLU 4 -14.032 -1.029 10.891 26 H LEU 5 H LEU 5 -11.582 1.197 7.979 27 HA LEU 5 HA LEU 5 -9.274 0.135 6.579 28 HB2 LEU 5 1HB LEU 5 -10.869 2.600 6.460 29 HB3 LEU 5 2HB LEU 5 -9.565 2.389 5.269 30 HG LEU 5 HG LEU 5 -11.973 0.558 5.604 31 HD11 LEU 5 1HD1 LEU 5 -12.703 1.503 3.397 32 HD12 LEU 5 2HD1 LEU 5 -12.591 2.772 4.638 33 HD13 LEU 5 3HD1 LEU 5 -11.304 2.600 3.421 34 HD21 LEU 5 3HD2 LEU 5 -10.004 -0.623 4.823 35 HD22 LEU 5 1HD2 LEU 5 -11.188 -0.478 3.502 36 HD23 LEU 5 2HD2 LEU 5 -9.757 0.582 3.535 37 H SER 6 H SER 6 -9.781 2.792 8.847 38 HA SER 6 HA SER 6 -7.131 3.964 8.705 39 HB2 SER 6 1HB SER 6 -9.156 3.935 10.857 40 HB3 SER 6 2HB SER 6 -7.625 4.839 10.864 41 HG SER 6 HG SER 6 -9.386 6.082 10.090 42 H GLU 7 H GLU 7 -8.598 1.387 10.721 43 HA GLU 7 HA GLU 7 -6.221 0.835 12.256 44 HB2 GLU 7 1HB GLU 7 -8.649 -0.815 11.556 45 HB3 GLU 7 2HB GLU 7 -7.347 -1.381 12.629 46 HG2 GLU 7 1HG GLU 7 -7.877 0.478 14.243 47 HG3 GLU 7 2HG GLU 7 -9.028 1.059 13.018 48 H CYS 8 H CYS 8 -7.542 -0.621 9.285 49 HA CYS 8 HA CYS 8 -5.526 -2.587 8.782 50 HB2 CYS 8 1HB CYS 8 -7.721 -2.244 7.657 51 HB3 CYS 8 2HB CYS 8 -7.101 -0.738 6.937 52 HG CYS 8 HG CYS 8 -7.329 -2.544 5.166 53 H PHE 9 H PHE 9 -5.723 0.861 7.789 54 HA PHE 9 HA PHE 9 -3.236 1.022 6.435 55 HB2 PHE 9 1HB PHE 9 -4.972 2.821 6.428 56 HB3 PHE 9 2HB PHE 9 -4.569 3.185 8.121 57 HD1 PHE 9 1HD PHE 9 -3.319 3.232 4.652 58 HD2 PHE 9 2HD PHE 9 -2.694 4.476 8.691 59 HE1 PHE 9 1HE PHE 9 -1.568 4.805 3.895 60 HE2 PHE 9 2HE PHE 9 -0.945 6.052 7.938 61 HZ PHE 9 HZ PHE 9 -0.381 6.216 5.539 62 H ARG 10 H ARG 10 -3.956 1.481 9.892 63 HA ARG 10 HA ARG 10 -1.257 2.195 10.607 64 HB2 ARG 10 1HB ARG 10 -3.535 1.157 12.221 65 HB3 ARG 10 2HB ARG 10 -1.937 1.559 12.891 66 HG2 ARG 10 1HG ARG 10 -2.183 3.873 12.194 67 HG3 ARG 10 2HG ARG 10 -3.731 3.496 11.396 68 HD2 ARG 10 1HD ARG 10 -4.699 2.956 13.549 69 HD3 ARG 10 2HD ARG 10 -3.156 3.354 14.339 70 HE ARG 10 HE ARG 10 -4.033 5.743 12.992 71 HH11 ARG 10 1HH1 ARG 10 -5.196 3.685 15.556 72 HH12 ARG 10 2HH1 ARG 10 -5.975 5.060 16.315 73 HH21 ARG 10 1HH2 ARG 10 -4.926 7.325 13.844 74 HH22 ARG 10 2HH2 ARG 10 -5.822 7.136 15.339 75 H ILE 11 H ILE 11 -2.927 -0.889 10.282 76 HA ILE 11 HA ILE 11 -0.884 -2.507 11.531 77 HB ILE 11 HB ILE 11 -2.986 -3.116 9.408 78 HG12 ILE 11 1HG1 ILE 11 -2.823 -4.006 12.270 79 HG13 ILE 11 2HG1 ILE 11 -3.678 -2.542 11.732 80 HG21 ILE 11 1HG2 ILE 11 -2.454 -5.500 9.787 81 HG22 ILE 11 2HG2 ILE 11 -1.050 -4.628 9.128 82 HG23 ILE 11 3HG2 ILE 11 -1.113 -5.030 10.860 83 HD11 ILE 11 3HD1 ILE 11 -4.286 -5.384 10.845 84 HD12 ILE 11 1HD1 ILE 11 -5.236 -4.431 12.006 85 HD13 ILE 11 2HD1 ILE 11 -5.141 -3.920 10.305 86 H PHE 12 H PHE 12 -1.347 -1.457 8.176 87 HA PHE 12 HA PHE 12 1.055 -2.928 7.325 88 HB2 PHE 12 1HB PHE 12 -0.861 -1.025 5.924 89 HB3 PHE 12 2HB PHE 12 0.592 -1.688 5.140 90 HD1 PHE 12 2HD PHE 12 0.819 -4.261 5.149 91 HD2 PHE 12 1HD PHE 12 -2.842 -2.156 5.800 92 HE1 PHE 12 2HE PHE 12 -0.453 -6.274 4.488 93 HE2 PHE 12 1HE PHE 12 -4.118 -4.169 5.142 94 HZ PHE 12 HZ PHE 12 -2.923 -6.229 4.486 95 H ASP 13 H ASP 13 0.268 0.272 8.443 96 HA ASP 13 HA ASP 13 2.787 1.464 7.558 97 HB2 ASP 13 1HB ASP 13 0.612 2.790 8.141 98 HB3 ASP 13 2HB ASP 13 1.014 2.234 9.784 99 H LYS 14 H LYS 14 4.214 -0.238 8.233 100 HA LYS 14 HA LYS 14 4.540 -0.891 11.030 101 HB2 LYS 14 1HB LYS 14 6.360 -1.147 8.636 102 HB3 LYS 14 2HB LYS 14 6.764 -1.745 10.262 103 HG2 LYS 14 1HG LYS 14 4.844 -3.264 10.203 104 HG3 LYS 14 2HG LYS 14 4.387 -2.643 8.598 105 HD2 LYS 14 1HD LYS 14 6.532 -3.442 7.681 106 HD3 LYS 14 2HD LYS 14 6.977 -4.074 9.283 107 HE2 LYS 14 1HE LYS 14 5.114 -5.624 9.241 108 HE3 LYS 14 2HE LYS 14 4.530 -4.932 7.710 109 HZ1 LYS 14 3HZ LYS 14 7.093 -6.346 8.086 110 HZ2 LYS 14 1HZ LYS 14 5.751 -6.970 7.357 111 HZ3 LYS 14 2HZ LYS 14 6.552 -5.703 6.666 112 H ASP 15 H ASP 15 5.982 1.534 8.905 113 HA ASP 15 HA ASP 15 8.000 2.406 10.770 114 HB2 ASP 15 1HB ASP 15 6.661 3.869 8.417 115 HB3 ASP 15 2HB ASP 15 7.913 4.460 9.538 116 H GLY 16 H GLY 16 4.637 3.384 10.224 117 HA2 GLY 16 1HA GLY 16 3.186 4.274 11.837 118 HA3 GLY 16 2HA GLY 16 4.554 4.437 12.964 119 H ASN 17 H ASN 17 4.827 5.644 9.704 120 HA ASN 17 HA ASN 17 5.066 8.399 10.823 121 HB2 ASN 17 1HB ASN 17 6.530 8.878 8.834 122 HB3 ASN 17 2HB ASN 17 6.734 7.334 9.697 123 HD21 ASN 17 2HD2 ASN 17 7.765 7.768 7.180 124 HD22 ASN 17 1HD2 ASN 17 6.935 6.760 6.041 125 H GLY 18 H GLY 18 2.707 6.541 9.490 126 HA2 GLY 18 1HA GLY 18 0.537 7.297 8.995 127 HA3 GLY 18 2HA GLY 18 1.157 8.958 8.849 128 H PHE 19 H PHE 19 3.110 6.789 7.159 129 HA PHE 19 HA PHE 19 1.496 6.991 4.650 130 HB2 PHE 19 1HB PHE 19 4.436 7.753 4.940 131 HB3 PHE 19 2HB PHE 19 3.555 7.613 3.402 132 HD1 PHE 19 2HD PHE 19 1.792 9.211 2.836 133 HD2 PHE 19 1HD PHE 19 4.217 9.649 6.326 134 HE1 PHE 19 2HE PHE 19 1.115 11.582 3.005 135 HE2 PHE 19 1HE PHE 19 3.540 12.020 6.500 136 HZ PHE 19 HZ PHE 19 1.989 12.986 4.839 137 H ILE 20 H ILE 20 1.926 5.457 3.070 138 HA ILE 20 HA ILE 20 3.370 3.028 4.064 139 HB ILE 20 HB ILE 20 1.513 3.408 1.670 140 HG12 ILE 20 1HG1 ILE 20 0.318 3.625 3.727 141 HG13 ILE 20 2HG1 ILE 20 -0.089 2.101 2.903 142 HG21 ILE 20 1HG2 ILE 20 1.585 0.941 1.532 143 HG22 ILE 20 2HG2 ILE 20 3.208 1.640 1.324 144 HG23 ILE 20 3HG2 ILE 20 2.752 0.899 2.876 145 HD11 ILE 20 3HD1 ILE 20 1.786 2.395 5.277 146 HD12 ILE 20 1HD1 ILE 20 0.124 1.768 5.334 147 HD13 ILE 20 2HD1 ILE 20 1.381 0.871 4.451 148 H ASP 21 H ASP 21 5.343 2.706 3.582 149 HA ASP 21 HA ASP 21 6.598 4.177 1.365 150 HB2 ASP 21 1HB ASP 21 7.630 3.385 3.778 151 HB3 ASP 21 2HB ASP 21 7.859 1.953 2.744 152 H ARG 22 H ARG 22 8.141 2.964 -0.073 153 HA ARG 22 HA ARG 22 6.706 1.192 -1.779 154 HB2 ARG 22 1HB ARG 22 8.505 2.463 -2.602 155 HB3 ARG 22 2HB ARG 22 9.645 1.637 -1.514 156 HG2 ARG 22 1HG ARG 22 9.261 -0.475 -2.689 157 HG3 ARG 22 2HG ARG 22 8.082 0.322 -3.758 158 HD2 ARG 22 1HD ARG 22 9.770 1.634 -4.756 159 HD3 ARG 22 2HD ARG 22 10.976 1.082 -3.571 160 HE ARG 22 HE ARG 22 10.159 -0.484 -5.969 161 HH11 ARG 22 1HH1 ARG 22 11.781 -0.541 -2.883 162 HH12 ARG 22 2HH1 ARG 22 12.616 -2.012 -3.342 163 HH21 ARG 22 1HH2 ARG 22 11.114 -2.163 -6.514 164 HH22 ARG 22 2HH2 ARG 22 12.238 -2.938 -5.413 165 H GLU 23 H GLU 23 9.081 0.492 0.779 166 HA GLU 23 HA GLU 23 9.036 -2.366 0.366 167 HB2 GLU 23 1HB GLU 23 9.763 -0.647 2.738 168 HB3 GLU 23 2HB GLU 23 9.945 -2.417 2.700 169 HG2 GLU 23 1HG GLU 23 11.602 -2.189 0.809 170 HG3 GLU 23 2HG GLU 23 11.224 -0.451 0.845 171 H GLU 24 H GLU 24 7.185 -0.193 2.472 172 HA GLU 24 HA GLU 24 5.725 -2.334 3.776 173 HB2 GLU 24 1HB GLU 24 5.079 0.593 3.387 174 HB3 GLU 24 2HB GLU 24 4.182 -0.531 4.438 175 HG2 GLU 24 1HG GLU 24 6.288 -0.823 5.841 176 HG3 GLU 24 2HG GLU 24 7.048 0.282 4.673 177 H PHE 25 H PHE 25 5.274 -0.494 0.815 178 HA PHE 25 HA PHE 25 2.611 -1.480 0.256 179 HB2 PHE 25 1HB PHE 25 3.429 0.465 -0.947 180 HB3 PHE 25 2HB PHE 25 4.828 -0.444 -1.561 181 HD1 PHE 25 1HD PHE 25 1.098 -0.503 -1.591 182 HD2 PHE 25 2HD PHE 25 4.745 -1.349 -3.649 183 HE1 PHE 25 1HE PHE 25 -0.188 -1.111 -3.613 184 HE2 PHE 25 2HE PHE 25 3.463 -1.956 -5.674 185 HZ PHE 25 HZ PHE 25 0.996 -1.839 -5.655 186 H GLY 26 H GLY 26 5.867 -2.647 -0.587 187 HA2 GLY 26 1HA GLY 26 5.062 -4.950 -2.036 188 HA3 GLY 26 2HA GLY 26 6.569 -4.786 -1.107 189 H ASP 27 H ASP 27 5.381 -4.353 1.451 190 HA ASP 27 HA ASP 27 4.883 -7.070 2.284 191 HB2 ASP 27 1HB ASP 27 4.546 -4.388 3.751 192 HB3 ASP 27 2HB ASP 27 4.140 -6.022 4.333 193 H ILE 28 H ILE 28 2.751 -4.308 1.643 194 HA ILE 28 HA ILE 28 0.284 -5.531 2.405 195 HB ILE 28 HB ILE 28 0.950 -3.549 0.183 196 HG12 ILE 28 1HG1 ILE 28 -0.426 -3.117 2.818 197 HG13 ILE 28 2HG1 ILE 28 1.317 -2.891 2.546 198 HG21 ILE 28 1HG2 ILE 28 -1.481 -3.113 0.072 199 HG22 ILE 28 2HG2 ILE 28 -1.112 -4.794 -0.374 200 HG23 ILE 28 3HG2 ILE 28 -1.771 -4.426 1.237 201 HD11 ILE 28 3HD1 ILE 28 -0.913 -1.391 1.129 202 HD12 ILE 28 1HD1 ILE 28 0.113 -0.745 2.429 203 HD13 ILE 28 2HD1 ILE 28 0.830 -1.166 0.856 204 H ILE 29 H ILE 29 1.949 -5.638 -0.741 205 HA ILE 29 HA ILE 29 -0.013 -7.389 -1.947 206 HB ILE 29 HB ILE 29 2.921 -6.852 -2.588 207 HG12 ILE 29 1HG1 ILE 29 0.459 -6.002 -4.078 208 HG13 ILE 29 2HG1 ILE 29 1.237 -5.020 -2.816 209 HG21 ILE 29 1HG2 ILE 29 2.477 -7.987 -4.739 210 HG22 ILE 29 2HG2 ILE 29 2.260 -9.103 -3.371 211 HG23 ILE 29 3HG2 ILE 29 0.839 -8.404 -4.181 212 HD11 ILE 29 3HD1 ILE 29 2.541 -5.958 -5.395 213 HD12 ILE 29 1HD1 ILE 29 1.957 -4.311 -5.062 214 HD13 ILE 29 2HD1 ILE 29 3.320 -4.976 -4.132 215 H ARG 30 H ARG 30 2.964 -8.022 -0.152 216 HA ARG 30 HA ARG 30 2.930 -10.868 -0.704 217 HB2 ARG 30 1HB ARG 30 4.371 -9.206 1.298 218 HB3 ARG 30 2HB ARG 30 4.463 -10.982 1.257 219 HG2 ARG 30 1HG ARG 30 5.258 -10.819 -1.111 220 HG3 ARG 30 2HG ARG 30 5.311 -9.050 -0.922 221 HD2 ARG 30 1HD ARG 30 6.836 -10.939 0.830 222 HD3 ARG 30 2HD ARG 30 7.472 -10.278 -0.694 223 HE ARG 30 HE ARG 30 7.172 -8.685 1.820 224 HH11 ARG 30 1HH1 ARG 30 7.905 -8.687 -1.589 225 HH12 ARG 30 2HH1 ARG 30 8.639 -7.103 -1.439 226 HH21 ARG 30 1HH2 ARG 30 8.017 -6.874 2.010 227 HH22 ARG 30 2HH2 ARG 30 8.704 -6.068 0.614 228 H LEU 31 H LEU 31 1.617 -8.846 1.882 229 HA LEU 31 HA LEU 31 0.933 -11.149 3.547 230 HB2 LEU 31 1HB LEU 31 0.290 -8.283 3.507 231 HB3 LEU 31 2HB LEU 31 -0.401 -9.276 4.811 232 HG LEU 31 HG LEU 31 2.559 -8.820 4.275 233 HD11 LEU 31 1HD1 LEU 31 2.503 -7.581 6.456 234 HD12 LEU 31 2HD1 LEU 31 1.419 -6.834 5.260 235 HD13 LEU 31 3HD1 LEU 31 0.748 -7.860 6.551 236 HD21 LEU 31 3HD2 LEU 31 2.137 -11.043 5.146 237 HD22 LEU 31 1HD2 LEU 31 2.918 -10.041 6.393 238 HD23 LEU 31 2HD2 LEU 31 1.170 -10.368 6.479 239 H THR 32 H THR 32 -0.700 -9.189 1.134 240 HA THR 32 HA THR 32 -3.284 -10.517 1.599 241 HB THR 32 HB THR 32 -3.951 -9.382 -0.520 242 HG1 THR 32 1HG THR 32 -1.856 -9.397 -1.508 243 HG21 THR 32 1HG2 THR 32 -3.772 -7.067 0.322 244 HG22 THR 32 2HG2 THR 32 -4.172 -8.198 1.638 245 HG23 THR 32 3HG2 THR 32 -2.511 -7.581 1.467 246 H GLY 33 H GLY 33 -0.402 -11.132 -0.222 247 HA2 GLY 33 1HA GLY 33 0.195 -13.254 -1.017 248 HA3 GLY 33 2HA GLY 33 -1.483 -13.800 -0.787 249 H GLU 34 H GLU 34 -0.716 -10.850 -2.520 250 HA GLU 34 HA GLU 34 -2.083 -11.940 -4.904 251 HB2 GLU 34 1HB GLU 34 -2.634 -9.715 -4.049 252 HB3 GLU 34 2HB GLU 34 -0.947 -9.204 -4.300 253 HG2 GLU 34 1HG GLU 34 -2.049 -8.342 -6.265 254 HG3 GLU 34 2HG GLU 34 -1.321 -9.906 -6.702 255 H GLN 35 H GLN 35 -1.222 -12.549 -6.742 256 HA GLN 35 HA GLN 35 1.683 -12.988 -6.700 257 HB2 GLN 35 1HB GLN 35 -0.357 -13.668 -8.826 258 HB3 GLN 35 2HB GLN 35 1.299 -14.305 -8.685 259 HG2 GLN 35 1HG GLN 35 -1.064 -15.113 -6.780 260 HG3 GLN 35 2HG GLN 35 -0.124 -15.846 -8.102 261 HE21 GLN 35 2HE2 GLN 35 -0.256 -15.055 -4.731 262 HE22 GLN 35 1HE2 GLN 35 1.259 -15.761 -4.277 263 H LEU 36 H LEU 36 2.325 -10.767 -6.785 264 HA LEU 36 HA LEU 36 2.254 -9.723 -9.596 265 HB2 LEU 36 1HB LEU 36 2.567 -8.390 -6.987 266 HB3 LEU 36 2HB LEU 36 2.708 -7.453 -8.494 267 HG LEU 36 HG LEU 36 0.220 -8.876 -7.468 268 HD11 LEU 36 1HD1 LEU 36 -0.702 -6.551 -7.268 269 HD12 LEU 36 2HD1 LEU 36 0.743 -6.762 -6.252 270 HD13 LEU 36 3HD1 LEU 36 0.864 -5.900 -7.804 271 HD21 LEU 36 3HD2 LEU 36 0.353 -8.972 -9.888 272 HD22 LEU 36 1HD2 LEU 36 -0.928 -7.838 -9.394 273 HD23 LEU 36 2HD2 LEU 36 0.639 -7.218 -9.971 274 H THR 37 H THR 37 4.096 -8.878 -10.503 275 HA THR 37 HA THR 37 6.574 -10.126 -9.481 276 HB THR 37 HB THR 37 7.571 -9.456 -11.585 277 HG1 THR 37 1HG THR 37 6.175 -8.225 -13.081 278 HG21 THR 37 1HG2 THR 37 6.053 -10.547 -13.199 279 HG22 THR 37 2HG2 THR 37 6.098 -11.439 -11.659 280 HG23 THR 37 3HG2 THR 37 4.710 -10.392 -12.040 281 H ASP 38 H ASP 38 8.620 -8.870 -9.608 282 HA ASP 38 HA ASP 38 8.558 -6.596 -7.870 283 HB2 ASP 38 1HB ASP 38 10.756 -7.573 -9.792 284 HB3 ASP 38 2HB ASP 38 10.774 -6.187 -8.673 285 H GLU 39 H GLU 39 8.525 -6.866 -11.393 286 HA GLU 39 HA GLU 39 8.728 -4.011 -11.865 287 HB2 GLU 39 1HB GLU 39 7.636 -6.299 -13.502 288 HB3 GLU 39 2HB GLU 39 7.732 -4.618 -14.080 289 HG2 GLU 39 1HG GLU 39 10.248 -4.709 -13.862 290 HG3 GLU 39 2HG GLU 39 10.008 -6.331 -13.173 291 H ASP 40 H ASP 40 6.022 -6.244 -11.373 292 HA ASP 40 HA ASP 40 3.932 -4.323 -11.801 293 HB2 ASP 40 1HB ASP 40 3.980 -6.823 -10.002 294 HB3 ASP 40 2HB ASP 40 2.646 -5.694 -10.352 295 H VAL 41 H VAL 41 5.830 -5.162 -8.921 296 HA VAL 41 HA VAL 41 4.369 -3.464 -7.087 297 HB VAL 41 HB VAL 41 7.250 -4.453 -7.064 298 HG11 VAL 41 1HG1 VAL 41 7.241 -3.804 -4.678 299 HG12 VAL 41 2HG1 VAL 41 6.999 -2.388 -5.728 300 HG13 VAL 41 3HG1 VAL 41 5.615 -3.109 -4.874 301 HG21 VAL 41 3HG2 VAL 41 5.617 -6.238 -6.944 302 HG22 VAL 41 1HG2 VAL 41 6.442 -6.029 -5.381 303 HG23 VAL 41 2HG2 VAL 41 4.788 -5.414 -5.602 304 H ASP 42 H ASP 42 7.293 -2.861 -9.025 305 HA ASP 42 HA ASP 42 7.608 -0.164 -8.031 306 HB2 ASP 42 1HB ASP 42 8.723 -1.514 -10.563 307 HB3 ASP 42 2HB ASP 42 8.968 0.145 -9.963 308 H GLU 43 H GLU 43 6.051 -1.528 -10.918 309 HA GLU 43 HA GLU 43 5.470 1.040 -12.109 310 HB2 GLU 43 1HB GLU 43 5.544 -1.079 -13.352 311 HB3 GLU 43 2HB GLU 43 4.105 -1.635 -12.461 312 HG2 GLU 43 1HG GLU 43 2.770 0.246 -13.522 313 HG3 GLU 43 2HG GLU 43 4.302 0.728 -14.282 314 H ILE 44 H ILE 44 3.475 -1.214 -10.188 315 HA ILE 44 HA ILE 44 1.129 0.487 -10.242 316 HB ILE 44 HB ILE 44 1.989 -1.750 -8.354 317 HG12 ILE 44 1HG1 ILE 44 -0.118 -1.747 -10.494 318 HG13 ILE 44 2HG1 ILE 44 1.559 -2.285 -10.744 319 HG21 ILE 44 1HG2 ILE 44 -0.357 -1.745 -7.574 320 HG22 ILE 44 2HG2 ILE 44 0.439 -0.193 -7.221 321 HG23 ILE 44 3HG2 ILE 44 -0.691 -0.323 -8.589 322 HD11 ILE 44 3HD1 ILE 44 -0.417 -3.482 -8.769 323 HD12 ILE 44 1HD1 ILE 44 0.064 -4.198 -10.324 324 HD13 ILE 44 2HD1 ILE 44 1.261 -4.019 -9.019 325 H PHE 45 H PHE 45 3.763 0.122 -7.894 326 HA PHE 45 HA PHE 45 2.795 1.993 -5.983 327 HB2 PHE 45 1HB PHE 45 4.766 0.557 -5.576 328 HB3 PHE 45 2HB PHE 45 5.673 1.435 -6.828 329 HD1 PHE 45 1HD PHE 45 4.148 1.682 -3.482 330 HD2 PHE 45 2HD PHE 45 6.683 3.512 -6.393 331 HE1 PHE 45 1HE PHE 45 4.938 3.291 -1.779 332 HE2 PHE 45 2HE PHE 45 7.478 5.121 -4.693 333 HZ PHE 45 HZ PHE 45 6.603 5.011 -2.385 334 H GLY 46 H GLY 46 4.847 2.553 -8.851 335 HA2 GLY 46 1HA GLY 46 5.078 5.375 -8.439 336 HA3 GLY 46 2HA GLY 46 5.353 4.512 -9.970 337 H ASP 47 H ASP 47 2.686 3.356 -10.077 338 HA ASP 47 HA ASP 47 1.298 5.547 -11.381 339 HB2 ASP 47 1HB ASP 47 0.410 2.676 -10.721 340 HB3 ASP 47 2HB ASP 47 -0.524 3.987 -11.483 341 H SER 48 H SER 48 0.941 3.891 -8.272 342 HA SER 48 HA SER 48 -1.497 5.338 -7.477 343 HB2 SER 48 1HB SER 48 -1.282 4.339 -5.443 344 HB3 SER 48 2HB SER 48 -0.971 3.140 -6.720 345 HG SER 48 HG SER 48 0.991 4.482 -5.172 346 H ASP 49 H ASP 49 1.975 5.887 -7.365 347 HA ASP 49 HA ASP 49 1.729 8.086 -5.405 348 HB2 ASP 49 1HB ASP 49 3.835 6.530 -5.644 349 HB3 ASP 49 2HB ASP 49 3.968 7.401 -7.192 350 H THR 50 H THR 50 0.123 9.280 -6.595 351 HA THR 50 HA THR 50 0.506 10.107 -9.304 352 HB THR 50 HB THR 50 -1.103 11.440 -7.084 353 HG1 THR 50 1HG THR 50 -2.828 10.270 -8.118 354 HG21 THR 50 1HG2 THR 50 -2.365 12.475 -8.938 355 HG22 THR 50 2HG2 THR 50 -0.654 12.963 -8.978 356 HG23 THR 50 3HG2 THR 50 -1.255 11.729 -10.111 357 H ASP 51 H ASP 51 1.356 11.691 -6.240 358 HA ASP 51 HA ASP 51 2.415 14.019 -7.756 359 HB2 ASP 51 1HB ASP 51 2.535 15.133 -5.548 360 HB3 ASP 51 2HB ASP 51 0.997 14.302 -5.891 361 H LYS 52 H LYS 52 3.559 11.066 -7.034 362 HA LYS 52 HA LYS 52 5.721 10.206 -6.991 363 HB2 LYS 52 1HB LYS 52 6.424 12.908 -8.143 364 HB3 LYS 52 2HB LYS 52 7.390 11.418 -8.237 365 HG2 LYS 52 1HG LYS 52 4.650 11.801 -9.491 366 HG3 LYS 52 2HG LYS 52 6.196 11.951 -10.359 367 HD2 LYS 52 1HD LYS 52 6.738 9.613 -9.790 368 HD3 LYS 52 2HD LYS 52 5.181 9.465 -8.940 369 HE2 LYS 52 1HE LYS 52 4.013 9.999 -11.069 370 HE3 LYS 52 2HE LYS 52 5.589 10.018 -11.894 371 HZ1 LYS 52 3HZ LYS 52 4.407 7.698 -10.508 372 HZ2 LYS 52 1HZ LYS 52 4.480 7.904 -12.143 373 HZ3 LYS 52 2HZ LYS 52 5.869 7.714 -11.273 374 H ASN 53 H ASN 53 4.934 11.094 -4.559 375 HA ASN 53 HA ASN 53 7.200 12.727 -3.501 376 HB2 ASN 53 1HB ASN 53 5.709 13.213 -1.547 377 HB3 ASN 53 2HB ASN 53 4.980 13.211 -3.171 378 HD21 ASN 53 2HD2 ASN 53 3.504 13.062 -0.822 379 HD22 ASN 53 1HD2 ASN 53 2.731 11.513 -0.747 380 H GLY 54 H GLY 54 6.501 9.541 -4.057 381 HA2 GLY 54 1HA GLY 54 7.952 7.770 -3.541 382 HA3 GLY 54 2HA GLY 54 8.731 8.780 -2.300 383 H ARG 55 H ARG 55 5.360 8.901 -2.066 384 HA ARG 55 HA ARG 55 5.254 6.670 -0.087 385 HB2 ARG 55 1HB ARG 55 4.562 9.505 0.541 386 HB3 ARG 55 2HB ARG 55 4.146 8.085 1.529 387 HG2 ARG 55 1HG ARG 55 6.981 8.888 0.816 388 HG3 ARG 55 2HG ARG 55 6.158 9.372 2.319 389 HD2 ARG 55 1HD ARG 55 5.882 6.996 2.868 390 HD3 ARG 55 2HD ARG 55 6.842 6.591 1.427 391 HE ARG 55 HE ARG 55 8.006 7.621 3.969 392 HH11 ARG 55 1HH1 ARG 55 8.534 7.001 0.578 393 HH12 ARG 55 2HH1 ARG 55 10.267 7.062 0.831 394 HH21 ARG 55 1HH2 ARG 55 9.987 7.684 4.276 395 HH22 ARG 55 2HH2 ARG 55 11.097 7.451 2.939 396 H ILE 56 H ILE 56 3.310 5.723 0.201 397 HA ILE 56 HA ILE 56 1.027 6.805 -1.422 398 HB ILE 56 HB ILE 56 1.493 4.058 -0.174 399 HG12 ILE 56 1HG1 ILE 56 1.305 4.880 -3.060 400 HG13 ILE 56 2HG1 ILE 56 2.814 4.567 -2.173 401 HG21 ILE 56 1HG2 ILE 56 -0.623 3.427 -1.285 402 HG22 ILE 56 2HG2 ILE 56 -0.888 4.717 -0.090 403 HG23 ILE 56 3HG2 ILE 56 -0.842 5.108 -1.825 404 HD11 ILE 56 3HD1 ILE 56 0.599 2.550 -2.678 405 HD12 ILE 56 1HD1 ILE 56 2.159 2.617 -3.529 406 HD13 ILE 56 2HD1 ILE 56 2.109 2.238 -1.790 407 H ASP 57 H ASP 57 -0.483 7.888 -0.541 408 HA ASP 57 HA ASP 57 -0.629 7.999 2.414 409 HB2 ASP 57 1HB ASP 57 -2.025 9.986 2.066 410 HB3 ASP 57 2HB ASP 57 -0.610 9.918 0.986 411 H PHE 58 H PHE 58 -3.191 8.546 2.954 412 HA PHE 58 HA PHE 58 -4.143 5.834 3.260 413 HB2 PHE 58 1HB PHE 58 -4.516 7.586 4.980 414 HB3 PHE 58 2HB PHE 58 -5.556 8.473 3.843 415 HD1 PHE 58 1HD PHE 58 -5.216 5.262 5.674 416 HD2 PHE 58 2HD PHE 58 -7.810 8.002 3.671 417 HE1 PHE 58 1HE PHE 58 -7.176 3.989 6.477 418 HE2 PHE 58 2HE PHE 58 -9.774 6.733 4.474 419 HZ PHE 58 HZ PHE 58 -9.456 4.724 5.877 420 H ASP 59 H ASP 59 -5.199 8.567 1.252 421 HA ASP 59 HA ASP 59 -7.579 7.307 0.262 422 HB2 ASP 59 1HB ASP 59 -5.827 9.516 -0.973 423 HB3 ASP 59 2HB ASP 59 -7.331 8.792 -1.596 424 H GLU 60 H GLU 60 -4.256 7.390 -1.009 425 HA GLU 60 HA GLU 60 -4.956 5.728 -3.312 426 HB2 GLU 60 1HB GLU 60 -2.309 6.511 -2.082 427 HB3 GLU 60 2HB GLU 60 -2.497 5.588 -3.592 428 HG2 GLU 60 1HG GLU 60 -3.385 8.502 -3.145 429 HG3 GLU 60 2HG GLU 60 -2.011 7.845 -4.063 430 H PHE 61 H PHE 61 -3.678 5.176 -0.075 431 HA PHE 61 HA PHE 61 -3.001 2.429 -0.324 432 HB2 PHE 61 1HB PHE 61 -2.511 3.585 1.740 433 HB3 PHE 61 2HB PHE 61 -4.223 3.992 1.988 434 HD1 PHE 61 1HD PHE 61 -1.825 1.167 1.837 435 HD2 PHE 61 2HD PHE 61 -5.635 2.579 3.155 436 HE1 PHE 61 1HE PHE 61 -2.114 -0.881 3.191 437 HE2 PHE 61 2HE PHE 61 -5.927 0.534 4.512 438 HZ PHE 61 HZ PHE 61 -4.166 -1.198 4.528 439 H LEU 62 H LEU 62 -6.172 3.921 0.334 440 HA LEU 62 HA LEU 62 -7.641 1.491 0.544 441 HB2 LEU 62 1HB LEU 62 -8.074 4.272 0.022 442 HB3 LEU 62 2HB LEU 62 -9.425 3.308 -0.618 443 HG LEU 62 HG LEU 62 -10.007 2.499 1.534 444 HD11 LEU 62 1HD1 LEU 62 -8.609 2.948 3.567 445 HD12 LEU 62 2HD1 LEU 62 -7.694 2.038 2.343 446 HD13 LEU 62 3HD1 LEU 62 -7.418 3.784 2.545 447 HD21 LEU 62 3HD2 LEU 62 -10.744 4.773 1.128 448 HD22 LEU 62 1HD2 LEU 62 -10.387 4.549 2.858 449 HD23 LEU 62 2HD2 LEU 62 -9.232 5.415 1.815 450 H LYS 63 H LYS 63 -6.647 3.353 -2.291 451 HA LYS 63 HA LYS 63 -8.155 1.751 -4.178 452 HB2 LYS 63 1HB LYS 63 -5.720 3.512 -4.479 453 HB3 LYS 63 2HB LYS 63 -6.574 2.735 -5.833 454 HG2 LYS 63 1HG LYS 63 -8.598 3.997 -5.326 455 HG3 LYS 63 2HG LYS 63 -7.816 4.722 -3.900 456 HD2 LYS 63 1HD LYS 63 -6.099 5.722 -5.423 457 HD3 LYS 63 2HD LYS 63 -7.029 5.101 -6.808 458 HE2 LYS 63 1HE LYS 63 -8.944 6.443 -6.191 459 HE3 LYS 63 2HE LYS 63 -8.141 6.969 -4.695 460 HZ1 LYS 63 3HZ LYS 63 -7.241 7.593 -7.435 461 HZ2 LYS 63 1HZ LYS 63 -8.003 8.640 -6.414 462 HZ3 LYS 63 2HZ LYS 63 -6.494 8.081 -6.047 463 H MET 64 H MET 64 -4.922 1.524 -2.784 464 HA MET 64 HA MET 64 -4.055 -0.587 -4.598 465 HB2 MET 64 1HB MET 64 -3.041 0.414 -1.941 466 HB3 MET 64 2HB MET 64 -2.257 -0.876 -2.886 467 HG2 MET 64 1HG MET 64 -2.690 1.986 -3.798 468 HG3 MET 64 2HG MET 64 -1.157 1.311 -3.200 469 HE1 MET 64 3HE MET 64 -2.974 2.360 -6.223 470 HE2 MET 64 1HE MET 64 -2.891 1.026 -7.398 471 HE3 MET 64 2HE MET 64 -3.959 0.897 -5.978 472 H MET 65 H MET 65 -5.676 -0.469 -1.484 473 HA MET 65 HA MET 65 -5.401 -3.315 -0.944 474 HB2 MET 65 1HB MET 65 -7.295 -1.190 0.053 475 HB3 MET 65 2HB MET 65 -7.295 -2.874 0.629 476 HG2 MET 65 1HG MET 65 -5.048 -0.852 0.890 477 HG3 MET 65 2HG MET 65 -6.094 -1.456 2.197 478 HE1 MET 65 3HE MET 65 -6.346 -4.519 1.686 479 HE2 MET 65 1HE MET 65 -4.960 -5.158 2.602 480 HE3 MET 65 2HE MET 65 -5.930 -3.824 3.272 481 H GLU 66 H GLU 66 -7.633 -1.350 -2.794 482 HA GLU 66 HA GLU 66 -9.518 -3.567 -3.199 483 HB2 GLU 66 1HB GLU 66 -9.162 -0.868 -4.506 484 HB3 GLU 66 2HB GLU 66 -10.424 -2.038 -4.963 485 HG2 GLU 66 1HG GLU 66 -11.390 -1.863 -2.626 486 HG3 GLU 66 2HG GLU 66 -10.018 -0.788 -2.278 487 H ASN 67 H ASN 67 -6.874 -2.052 -5.016 488 HA ASN 67 HA ASN 67 -7.310 -3.708 -7.375 489 HB2 ASN 67 1HB ASN 67 -4.831 -1.948 -6.709 490 HB3 ASN 67 2HB ASN 67 -5.271 -3.084 -8.007 491 HD21 ASN 67 2HD2 ASN 67 -4.743 -0.163 -7.983 492 HD22 ASN 67 1HD2 ASN 67 -6.134 0.555 -8.725 493 H VAL 68 H VAL 68 -5.149 -3.855 -4.568 494 HA VAL 68 HA VAL 68 -3.992 -6.424 -5.561 495 HB VAL 68 HB VAL 68 -3.433 -4.806 -3.039 496 HG11 VAL 68 1HG1 VAL 68 -1.467 -6.290 -2.826 497 HG12 VAL 68 2HG1 VAL 68 -2.982 -7.222 -2.773 498 HG13 VAL 68 3HG1 VAL 68 -2.000 -7.203 -4.257 499 HG21 VAL 68 3HG2 VAL 68 -2.747 -3.608 -5.031 500 HG22 VAL 68 1HG2 VAL 68 -1.332 -4.201 -4.130 501 HG23 VAL 68 2HG2 VAL 68 -1.860 -5.040 -5.609 502 H GLN 69 H GLN 69 -5.136 -8.148 -5.367 503 HA GLN 69 HA GLN 69 -7.207 -8.321 -3.290 504 HB2 GLN 69 1HB GLN 69 -7.564 -9.137 -5.587 505 HB3 GLN 69 2HB GLN 69 -6.260 -10.324 -5.350 506 HG2 GLN 69 1HG GLN 69 -7.828 -11.456 -3.476 507 HG3 GLN 69 2HG GLN 69 -8.753 -10.003 -3.923 508 HE21 GLN 69 2HE2 GLN 69 -9.796 -12.627 -3.974 509 HE22 GLN 69 1HE2 GLN 69 -10.145 -13.043 -5.620 Start of MODEL 14 1 H1 SER 1 1H SER 1 -15.259 -0.798 7.286 2 H2 SER 1 2H SER 1 -15.325 -0.711 5.790 3 H3 SER 1 3H SER 1 -13.996 -0.697 6.484 4 HA SER 1 HA SER 1 -15.561 1.672 5.861 5 HB2 SER 1 1HB SER 1 -15.881 2.705 7.839 6 HB3 SER 1 2HB SER 1 -16.621 1.090 7.944 7 HG SER 1 HG SER 1 -15.484 1.525 9.824 8 H GLU 2 H GLU 2 -14.344 3.668 6.328 9 HA GLU 2 HA GLU 2 -11.503 3.409 5.856 10 HB2 GLU 2 1HB GLU 2 -13.232 5.729 6.721 11 HB3 GLU 2 2HB GLU 2 -11.495 5.858 6.356 12 HG2 GLU 2 1HG GLU 2 -11.965 5.152 3.973 13 HG3 GLU 2 2HG GLU 2 -13.651 4.943 4.499 14 H GLU 3 H GLU 3 -13.461 3.754 8.748 15 HA GLU 3 HA GLU 3 -11.225 4.279 10.527 16 HB2 GLU 3 1HB GLU 3 -13.995 3.162 10.969 17 HB3 GLU 3 2HB GLU 3 -12.828 3.481 12.275 18 HG2 GLU 3 1HG GLU 3 -12.870 5.938 11.684 19 HG3 GLU 3 2HG GLU 3 -13.927 5.470 10.332 20 H GLU 4 H GLU 4 -12.826 1.347 9.354 21 HA GLU 4 HA GLU 4 -11.187 -0.456 10.935 22 HB2 GLU 4 1HB GLU 4 -12.786 -0.779 8.397 23 HB3 GLU 4 2HB GLU 4 -11.887 -2.108 9.167 24 HG2 GLU 4 1HG GLU 4 -13.349 -1.964 11.181 25 HG3 GLU 4 2HG GLU 4 -14.004 -0.466 10.485 26 H LEU 5 H LEU 5 -10.807 1.157 7.837 27 HA LEU 5 HA LEU 5 -8.383 -0.400 7.202 28 HB2 LEU 5 1HB LEU 5 -9.742 1.940 6.039 29 HB3 LEU 5 2HB LEU 5 -8.301 1.280 5.232 30 HG LEU 5 HG LEU 5 -10.984 -0.099 5.622 31 HD11 LEU 5 1HD1 LEU 5 -11.033 -0.080 3.113 32 HD12 LEU 5 2HD1 LEU 5 -10.926 1.570 3.771 33 HD13 LEU 5 3HD1 LEU 5 -9.475 0.780 3.105 34 HD21 LEU 5 3HD2 LEU 5 -9.178 -1.691 5.906 35 HD22 LEU 5 1HD2 LEU 5 -10.008 -1.984 4.358 36 HD23 LEU 5 2HD2 LEU 5 -8.430 -1.159 4.381 37 H SER 6 H SER 6 -9.182 2.442 8.957 38 HA SER 6 HA SER 6 -6.608 3.766 9.012 39 HB2 SER 6 1HB SER 6 -8.756 3.574 11.034 40 HB3 SER 6 2HB SER 6 -7.292 4.578 11.143 41 HG SER 6 HG SER 6 -9.083 5.711 10.275 42 H GLU 7 H GLU 7 -8.022 1.057 10.887 43 HA GLU 7 HA GLU 7 -5.696 0.590 12.526 44 HB2 GLU 7 1HB GLU 7 -7.954 -1.201 11.626 45 HB3 GLU 7 2HB GLU 7 -6.690 -1.691 12.780 46 HG2 GLU 7 1HG GLU 7 -7.475 0.099 14.377 47 HG3 GLU 7 2HG GLU 7 -8.594 0.594 13.086 48 H CYS 8 H CYS 8 -6.752 -0.769 9.411 49 HA CYS 8 HA CYS 8 -4.575 -2.610 8.994 50 HB2 CYS 8 1HB CYS 8 -6.378 -0.914 7.214 51 HB3 CYS 8 2HB CYS 8 -5.356 -2.250 6.630 52 HG CYS 8 HG CYS 8 -6.456 -4.064 8.076 53 H PHE 9 H PHE 9 -5.010 0.850 8.162 54 HA PHE 9 HA PHE 9 -2.570 1.227 6.756 55 HB2 PHE 9 1HB PHE 9 -4.396 2.913 6.825 56 HB3 PHE 9 2HB PHE 9 -4.043 3.213 8.542 57 HD1 PHE 9 1HD PHE 9 -2.580 3.383 5.134 58 HD2 PHE 9 2HD PHE 9 -2.442 4.750 9.179 59 HE1 PHE 9 1HE PHE 9 -0.935 5.113 4.492 60 HE2 PHE 9 2HE PHE 9 -0.799 6.482 8.541 61 HZ PHE 9 HZ PHE 9 -0.043 6.662 6.196 62 H ARG 10 H ARG 10 -3.251 1.462 10.241 63 HA ARG 10 HA ARG 10 -0.565 2.194 10.985 64 HB2 ARG 10 1HB ARG 10 -2.791 0.938 12.515 65 HB3 ARG 10 2HB ARG 10 -1.191 1.300 13.205 66 HG2 ARG 10 1HG ARG 10 -1.499 3.679 12.693 67 HG3 ARG 10 2HG ARG 10 -3.090 3.325 11.976 68 HD2 ARG 10 1HD ARG 10 -3.918 2.619 14.114 69 HD3 ARG 10 2HD ARG 10 -2.319 2.891 14.845 70 HE ARG 10 HE ARG 10 -3.258 5.429 13.810 71 HH11 ARG 10 1HH1 ARG 10 -4.124 3.145 16.300 72 HH12 ARG 10 2HH1 ARG 10 -4.770 4.447 17.278 73 HH21 ARG 10 1HH2 ARG 10 -4.002 6.930 14.916 74 HH22 ARG 10 2HH2 ARG 10 -4.701 6.607 16.490 75 H ILE 11 H ILE 11 -2.151 -0.909 10.431 76 HA ILE 11 HA ILE 11 0.060 -2.528 11.395 77 HB ILE 11 HB ILE 11 -2.211 -3.088 9.438 78 HG12 ILE 11 1HG1 ILE 11 -1.763 -4.116 12.224 79 HG13 ILE 11 2HG1 ILE 11 -2.735 -2.678 11.831 80 HG21 ILE 11 1HG2 ILE 11 -1.563 -5.466 9.626 81 HG22 ILE 11 2HG2 ILE 11 -0.254 -4.502 8.903 82 HG23 ILE 11 3HG2 ILE 11 -0.152 -5.005 10.606 83 HD11 ILE 11 3HD1 ILE 11 -3.268 -5.508 10.858 84 HD12 ILE 11 1HD1 ILE 11 -4.163 -4.662 12.140 85 HD13 ILE 11 2HD1 ILE 11 -4.240 -4.070 10.463 86 H PHE 12 H PHE 12 -0.777 -1.243 8.200 87 HA PHE 12 HA PHE 12 1.476 -2.644 6.952 88 HB2 PHE 12 1HB PHE 12 -0.508 -0.556 5.969 89 HB3 PHE 12 2HB PHE 12 0.811 -1.194 4.962 90 HD1 PHE 12 2HD PHE 12 0.929 -3.822 4.862 91 HD2 PHE 12 1HD PHE 12 -2.550 -1.541 5.836 92 HE1 PHE 12 2HE PHE 12 -0.503 -5.720 4.183 93 HE2 PHE 12 1HE PHE 12 -3.984 -3.437 5.160 94 HZ PHE 12 HZ PHE 12 -2.961 -5.527 4.333 95 H ASP 13 H ASP 13 0.857 0.575 8.239 96 HA ASP 13 HA ASP 13 3.474 1.593 7.397 97 HB2 ASP 13 1HB ASP 13 1.390 3.076 7.935 98 HB3 ASP 13 2HB ASP 13 1.712 2.486 9.584 99 H LYS 14 H LYS 14 4.616 -0.367 8.140 100 HA LYS 14 HA LYS 14 4.782 -0.864 11.011 101 HB2 LYS 14 1HB LYS 14 6.403 -1.818 8.648 102 HB3 LYS 14 2HB LYS 14 6.680 -2.341 10.326 103 HG2 LYS 14 1HG LYS 14 4.487 -3.363 10.428 104 HG3 LYS 14 2HG LYS 14 4.069 -2.714 8.823 105 HD2 LYS 14 1HD LYS 14 5.769 -4.088 7.771 106 HD3 LYS 14 2HD LYS 14 6.341 -4.655 9.357 107 HE2 LYS 14 1HE LYS 14 4.305 -5.839 9.764 108 HE3 LYS 14 2HE LYS 14 3.518 -5.091 8.356 109 HZ1 LYS 14 3HZ LYS 14 5.791 -6.969 8.253 110 HZ2 LYS 14 1HZ LYS 14 4.225 -7.339 7.890 111 HZ3 LYS 14 2HZ LYS 14 5.062 -6.275 6.946 112 H ASP 15 H ASP 15 6.516 1.113 8.716 113 HA ASP 15 HA ASP 15 8.749 1.688 10.495 114 HB2 ASP 15 1HB ASP 15 7.660 3.184 8.035 115 HB3 ASP 15 2HB ASP 15 9.006 3.631 9.114 116 H GLY 16 H GLY 16 5.544 3.061 9.974 117 HA2 GLY 16 1HA GLY 16 4.321 4.356 11.495 118 HA3 GLY 16 2HA GLY 16 5.755 4.458 12.544 119 H ASN 17 H ASN 17 5.482 5.292 9.091 120 HA ASN 17 HA ASN 17 6.722 7.922 9.766 121 HB2 ASN 17 1HB ASN 17 6.658 6.550 6.973 122 HB3 ASN 17 2HB ASN 17 7.139 8.137 7.622 123 HD21 ASN 17 2HD2 ASN 17 8.563 5.760 6.357 124 HD22 ASN 17 1HD2 ASN 17 9.908 5.475 7.411 125 H GLY 18 H GLY 18 3.715 6.603 9.011 126 HA2 GLY 18 1HA GLY 18 1.714 7.870 8.967 127 HA3 GLY 18 2HA GLY 18 2.652 9.327 8.564 128 H PHE 19 H PHE 19 3.480 6.517 6.780 129 HA PHE 19 HA PHE 19 1.458 6.767 4.694 130 HB2 PHE 19 1HB PHE 19 3.005 7.518 2.909 131 HB3 PHE 19 2HB PHE 19 2.817 8.769 4.157 132 HD1 PHE 19 1HD PHE 19 5.069 6.176 2.812 133 HD2 PHE 19 2HD PHE 19 4.638 9.525 5.429 134 HE1 PHE 19 1HE PHE 19 7.525 6.294 3.065 135 HE2 PHE 19 2HE PHE 19 7.094 9.647 5.682 136 HZ PHE 19 HZ PHE 19 8.538 8.028 4.499 137 H ILE 20 H ILE 20 2.144 5.485 2.705 138 HA ILE 20 HA ILE 20 3.239 2.905 3.753 139 HB ILE 20 HB ILE 20 1.696 3.509 1.189 140 HG12 ILE 20 1HG1 ILE 20 0.320 3.916 3.098 141 HG13 ILE 20 2HG1 ILE 20 -0.191 2.445 2.238 142 HG21 ILE 20 1HG2 ILE 20 1.453 1.053 1.064 143 HG22 ILE 20 2HG2 ILE 20 3.166 1.529 1.035 144 HG23 ILE 20 3HG2 ILE 20 2.448 0.879 2.528 145 HD11 ILE 20 3HD1 ILE 20 1.434 2.532 4.805 146 HD12 ILE 20 1HD1 ILE 20 -0.293 2.130 4.680 147 HD13 ILE 20 2HD1 ILE 20 0.924 1.060 3.944 148 H ASP 21 H ASP 21 5.223 2.428 3.476 149 HA ASP 21 HA ASP 21 6.795 3.627 1.300 150 HB2 ASP 21 1HB ASP 21 7.560 2.775 3.796 151 HB3 ASP 21 2HB ASP 21 7.659 1.299 2.804 152 H ARG 22 H ARG 22 8.234 2.168 -0.006 153 HA ARG 22 HA ARG 22 6.571 0.638 -1.769 154 HB2 ARG 22 1HB ARG 22 8.577 1.765 -2.474 155 HB3 ARG 22 2HB ARG 22 9.547 0.601 -1.541 156 HG2 ARG 22 1HG ARG 22 8.699 -1.231 -2.942 157 HG3 ARG 22 2HG ARG 22 7.726 -0.069 -3.875 158 HD2 ARG 22 1HD ARG 22 9.690 -0.684 -5.081 159 HD3 ARG 22 2HD ARG 22 9.768 1.027 -4.602 160 HE ARG 22 HE ARG 22 11.345 -0.711 -2.795 161 HH11 ARG 22 1HH1 ARG 22 11.427 1.027 -5.816 162 HH12 ARG 22 2HH1 ARG 22 13.171 1.164 -5.698 163 HH21 ARG 22 1HH2 ARG 22 13.341 -0.570 -2.649 164 HH22 ARG 22 2HH2 ARG 22 14.264 0.252 -3.892 165 H GLU 23 H GLU 23 8.875 -0.377 0.749 166 HA GLU 23 HA GLU 23 8.436 -3.206 0.307 167 HB2 GLU 23 1HB GLU 23 9.488 -1.634 2.661 168 HB3 GLU 23 2HB GLU 23 9.434 -3.413 2.589 169 HG2 GLU 23 1HG GLU 23 11.032 -3.375 0.643 170 HG3 GLU 23 2HG GLU 23 10.876 -1.604 0.696 171 H GLU 24 H GLU 24 6.907 -0.777 2.362 172 HA GLU 24 HA GLU 24 5.247 -2.683 3.794 173 HB2 GLU 24 1HB GLU 24 5.002 0.284 3.285 174 HB3 GLU 24 2HB GLU 24 3.891 -0.652 4.314 175 HG2 GLU 24 1HG GLU 24 5.750 -1.147 5.906 176 HG3 GLU 24 2HG GLU 24 6.844 -0.436 4.698 177 H PHE 25 H PHE 25 4.966 -0.960 0.746 178 HA PHE 25 HA PHE 25 2.187 -1.582 0.276 179 HB2 PHE 25 1HB PHE 25 3.423 0.138 -1.026 180 HB3 PHE 25 2HB PHE 25 4.443 -1.138 -1.727 181 HD1 PHE 25 1HD PHE 25 0.850 -0.198 -1.352 182 HD2 PHE 25 2HD PHE 25 3.882 -2.021 -3.747 183 HE1 PHE 25 1HE PHE 25 -0.779 -0.491 -3.188 184 HE2 PHE 25 2HE PHE 25 2.257 -2.314 -5.586 185 HZ PHE 25 HZ PHE 25 -0.076 -1.549 -5.305 186 H GLY 26 H GLY 26 5.189 -3.357 -0.270 187 HA2 GLY 26 1HA GLY 26 4.202 -5.466 -1.851 188 HA3 GLY 26 2HA GLY 26 5.518 -5.611 -0.662 189 H ASP 27 H ASP 27 3.887 -4.861 1.619 190 HA ASP 27 HA ASP 27 2.730 -7.457 2.241 191 HB2 ASP 27 1HB ASP 27 2.687 -4.797 3.791 192 HB3 ASP 27 2HB ASP 27 1.952 -6.364 4.213 193 H ILE 28 H ILE 28 1.459 -4.349 1.195 194 HA ILE 28 HA ILE 28 -1.329 -4.979 1.704 195 HB ILE 28 HB ILE 28 0.015 -3.034 -0.224 196 HG12 ILE 28 1HG1 ILE 28 -1.477 -2.514 2.333 197 HG13 ILE 28 2HG1 ILE 28 0.292 -2.663 2.205 198 HG21 ILE 28 1HG2 ILE 28 -2.225 -2.023 -0.483 199 HG22 ILE 28 2HG2 ILE 28 -2.209 -3.703 -1.068 200 HG23 ILE 28 3HG2 ILE 28 -2.926 -3.319 0.515 201 HD11 ILE 28 3HD1 ILE 28 -1.424 -0.587 0.798 202 HD12 ILE 28 1HD1 ILE 28 -0.403 -0.299 2.226 203 HD13 ILE 28 2HD1 ILE 28 0.344 -0.736 0.671 204 H ILE 29 H ILE 29 0.724 -5.323 -1.172 205 HA ILE 29 HA ILE 29 -1.475 -6.505 -2.720 206 HB ILE 29 HB ILE 29 0.265 -6.960 -4.406 207 HG12 ILE 29 1HG1 ILE 29 2.230 -5.925 -2.379 208 HG13 ILE 29 2HG1 ILE 29 1.978 -7.638 -2.788 209 HG21 ILE 29 1HG2 ILE 29 1.038 -4.646 -4.808 210 HG22 ILE 29 2HG2 ILE 29 -0.666 -4.672 -4.299 211 HG23 ILE 29 3HG2 ILE 29 0.602 -4.210 -3.139 212 HD11 ILE 29 3HD1 ILE 29 2.915 -5.470 -4.702 213 HD12 ILE 29 1HD1 ILE 29 3.941 -6.721 -3.963 214 HD13 ILE 29 2HD1 ILE 29 2.662 -7.183 -5.112 215 H ARG 30 H ARG 30 0.851 -7.678 -0.470 216 HA ARG 30 HA ARG 30 0.741 -10.455 -1.229 217 HB2 ARG 30 1HB ARG 30 2.416 -9.601 0.246 218 HB3 ARG 30 2HB ARG 30 1.171 -9.244 1.466 219 HG2 ARG 30 1HG ARG 30 0.667 -11.609 1.700 220 HG3 ARG 30 2HG ARG 30 1.812 -12.010 0.397 221 HD2 ARG 30 1HD ARG 30 3.644 -11.230 1.756 222 HD3 ARG 30 2HD ARG 30 2.506 -10.798 3.054 223 HE ARG 30 HE ARG 30 2.305 -13.659 2.554 224 HH11 ARG 30 1HH1 ARG 30 4.547 -11.346 3.888 225 HH12 ARG 30 2HH1 ARG 30 5.192 -12.578 4.954 226 HH21 ARG 30 1HH2 ARG 30 3.039 -15.083 3.763 227 HH22 ARG 30 2HH2 ARG 30 4.334 -14.709 4.883 228 H LEU 31 H LEU 31 -1.334 -8.434 0.814 229 HA LEU 31 HA LEU 31 -3.131 -10.755 1.275 230 HB2 LEU 31 1HB LEU 31 -3.137 -7.931 2.117 231 HB3 LEU 31 2HB LEU 31 -4.393 -9.042 2.712 232 HG LEU 31 HG LEU 31 -1.408 -9.150 3.296 233 HD11 LEU 31 1HD1 LEU 31 -2.155 -8.801 5.666 234 HD12 LEU 31 2HD1 LEU 31 -2.677 -7.460 4.620 235 HD13 LEU 31 3HD1 LEU 31 -3.841 -8.715 5.106 236 HD21 LEU 31 3HD2 LEU 31 -2.279 -11.393 3.003 237 HD22 LEU 31 1HD2 LEU 31 -1.929 -11.099 4.722 238 HD23 LEU 31 2HD2 LEU 31 -3.610 -11.057 4.137 239 H THR 32 H THR 32 -2.707 -8.313 -1.018 240 HA THR 32 HA THR 32 -5.487 -8.336 -1.945 241 HB THR 32 HB THR 32 -2.901 -7.660 -3.410 242 HG1 THR 32 1HG THR 32 -3.656 -5.495 -3.020 243 HG21 THR 32 1HG2 THR 32 -4.391 -6.555 -5.039 244 HG22 THR 32 2HG2 THR 32 -4.732 -8.300 -4.941 245 HG23 THR 32 3HG2 THR 32 -5.809 -7.135 -4.136 246 H GLY 33 H GLY 33 -2.543 -10.187 -2.624 247 HA2 GLY 33 1HA GLY 33 -2.742 -12.521 -3.298 248 HA3 GLY 33 2HA GLY 33 -4.249 -12.110 -4.148 249 H GLU 34 H GLU 34 -1.551 -9.925 -4.334 250 HA GLU 34 HA GLU 34 -1.121 -10.765 -7.182 251 HB2 GLU 34 1HB GLU 34 -0.789 -8.086 -5.825 252 HB3 GLU 34 2HB GLU 34 -0.313 -8.448 -7.503 253 HG2 GLU 34 1HG GLU 34 -3.212 -8.656 -6.493 254 HG3 GLU 34 2HG GLU 34 -2.427 -7.247 -7.241 255 H GLN 35 H GLN 35 0.500 -12.178 -7.087 256 HA GLN 35 HA GLN 35 2.895 -11.625 -5.477 257 HB2 GLN 35 1HB GLN 35 2.063 -13.910 -5.869 258 HB3 GLN 35 2HB GLN 35 2.344 -13.696 -7.613 259 HG2 GLN 35 1HG GLN 35 4.470 -14.903 -6.790 260 HG3 GLN 35 2HG GLN 35 4.563 -13.150 -7.080 261 HE21 GLN 35 2HE2 GLN 35 6.355 -12.897 -5.728 262 HE22 GLN 35 1HE2 GLN 35 6.234 -13.009 -4.003 263 H LEU 36 H LEU 36 3.996 -9.890 -6.066 264 HA LEU 36 HA LEU 36 4.718 -9.643 -8.966 265 HB2 LEU 36 1HB LEU 36 4.616 -7.690 -6.759 266 HB3 LEU 36 2HB LEU 36 5.101 -7.189 -8.396 267 HG LEU 36 HG LEU 36 2.362 -8.166 -7.503 268 HD11 LEU 36 1HD1 LEU 36 1.634 -5.874 -8.221 269 HD12 LEU 36 2HD1 LEU 36 2.867 -5.789 -6.941 270 HD13 LEU 36 3HD1 LEU 36 3.320 -5.486 -8.636 271 HD21 LEU 36 3HD2 LEU 36 2.882 -9.052 -9.698 272 HD22 LEU 36 1HD2 LEU 36 1.646 -7.778 -9.835 273 HD23 LEU 36 2HD2 LEU 36 3.336 -7.431 -10.278 274 H THR 37 H THR 37 6.793 -9.052 -9.566 275 HA THR 37 HA THR 37 8.900 -10.050 -7.778 276 HB THR 37 HB THR 37 10.419 -9.600 -9.616 277 HG1 THR 37 1HG THR 37 9.460 -8.594 -11.560 278 HG21 THR 37 1HG2 THR 37 9.364 -10.916 -11.420 279 HG22 THR 37 2HG2 THR 37 9.009 -11.617 -9.823 280 HG23 THR 37 3HG2 THR 37 7.770 -10.663 -10.672 281 H ASP 38 H ASP 38 10.974 -8.740 -7.664 282 HA ASP 38 HA ASP 38 10.533 -6.496 -5.989 283 HB2 ASP 38 1HB ASP 38 13.043 -7.277 -7.591 284 HB3 ASP 38 2HB ASP 38 12.809 -5.930 -6.449 285 H GLU 39 H GLU 39 10.971 -6.677 -9.481 286 HA GLU 39 HA GLU 39 11.116 -3.747 -9.741 287 HB2 GLU 39 1HB GLU 39 10.863 -5.988 -11.751 288 HB3 GLU 39 2HB GLU 39 10.986 -4.263 -12.169 289 HG2 GLU 39 1HG GLU 39 13.290 -4.206 -11.103 290 HG3 GLU 39 2HG GLU 39 12.990 -5.909 -10.683 291 H ASP 40 H ASP 40 8.710 -6.301 -10.219 292 HA ASP 40 HA ASP 40 6.756 -4.604 -11.492 293 HB2 ASP 40 1HB ASP 40 6.433 -7.261 -9.974 294 HB3 ASP 40 2HB ASP 40 5.187 -6.256 -10.756 295 H VAL 41 H VAL 41 7.457 -5.366 -8.116 296 HA VAL 41 HA VAL 41 5.142 -4.032 -6.992 297 HB VAL 41 HB VAL 41 7.922 -4.571 -5.870 298 HG11 VAL 41 1HG1 VAL 41 6.925 -4.036 -3.672 299 HG12 VAL 41 2HG1 VAL 41 6.877 -2.626 -4.757 300 HG13 VAL 41 3HG1 VAL 41 5.402 -3.581 -4.472 301 HG21 VAL 41 3HG2 VAL 41 6.656 -6.581 -6.343 302 HG22 VAL 41 1HG2 VAL 41 6.797 -6.322 -4.589 303 HG23 VAL 41 2HG2 VAL 41 5.269 -5.949 -5.423 304 H ASP 42 H ASP 42 8.399 -2.875 -7.801 305 HA ASP 42 HA ASP 42 7.980 -0.205 -6.832 306 HB2 ASP 42 1HB ASP 42 10.262 -1.272 -7.525 307 HB3 ASP 42 2HB ASP 42 9.572 -1.078 -9.156 308 H GLU 43 H GLU 43 7.341 -1.722 -9.974 309 HA GLU 43 HA GLU 43 6.589 0.720 -11.310 310 HB2 GLU 43 1HB GLU 43 5.917 -2.183 -11.786 311 HB3 GLU 43 2HB GLU 43 5.376 -0.859 -12.848 312 HG2 GLU 43 1HG GLU 43 7.783 -0.317 -13.373 313 HG3 GLU 43 2HG GLU 43 8.203 -1.562 -12.174 314 H ILE 44 H ILE 44 4.654 -1.798 -9.683 315 HA ILE 44 HA ILE 44 2.136 -0.399 -10.156 316 HB ILE 44 HB ILE 44 2.900 -2.604 -8.187 317 HG12 ILE 44 1HG1 ILE 44 3.141 -3.316 -10.439 318 HG13 ILE 44 2HG1 ILE 44 1.709 -4.073 -9.701 319 HG21 ILE 44 1HG2 ILE 44 0.465 -2.942 -7.941 320 HG22 ILE 44 2HG2 ILE 44 0.942 -1.315 -7.405 321 HG23 ILE 44 3HG2 ILE 44 0.163 -1.537 -8.988 322 HD11 ILE 44 3HD1 ILE 44 1.687 -1.713 -11.615 323 HD12 ILE 44 1HD1 ILE 44 1.256 -3.389 -12.025 324 HD13 ILE 44 2HD1 ILE 44 0.255 -2.469 -10.877 325 H PHE 45 H PHE 45 4.525 -0.359 -7.587 326 HA PHE 45 HA PHE 45 2.991 1.158 -5.701 327 HB2 PHE 45 1HB PHE 45 5.174 0.076 -5.165 328 HB3 PHE 45 2HB PHE 45 5.995 1.248 -6.220 329 HD1 PHE 45 1HD PHE 45 3.912 0.946 -3.165 330 HD2 PHE 45 2HD PHE 45 6.652 3.317 -5.427 331 HE1 PHE 45 1HE PHE 45 4.134 2.505 -1.258 332 HE2 PHE 45 2HE PHE 45 6.880 4.877 -3.523 333 HZ PHE 45 HZ PHE 45 5.619 4.470 -1.437 334 H GLY 46 H GLY 46 5.173 2.227 -8.316 335 HA2 GLY 46 1HA GLY 46 4.722 5.025 -7.888 336 HA3 GLY 46 2HA GLY 46 5.334 4.275 -9.380 337 H ASP 47 H ASP 47 3.049 2.553 -9.793 338 HA ASP 47 HA ASP 47 1.259 4.377 -11.155 339 HB2 ASP 47 1HB ASP 47 1.009 1.370 -10.550 340 HB3 ASP 47 2HB ASP 47 -0.134 2.445 -11.391 341 H SER 48 H SER 48 1.182 2.744 -8.032 342 HA SER 48 HA SER 48 -1.597 3.461 -7.388 343 HB2 SER 48 1HB SER 48 0.637 2.483 -5.717 344 HB3 SER 48 2HB SER 48 -1.035 2.776 -5.188 345 HG SER 48 HG SER 48 -0.216 1.009 -7.253 346 H ASP 49 H ASP 49 1.611 4.922 -7.034 347 HA ASP 49 HA ASP 49 0.735 7.054 -5.250 348 HB2 ASP 49 1HB ASP 49 3.203 6.296 -5.578 349 HB3 ASP 49 2HB ASP 49 2.950 6.996 -7.196 350 H THR 50 H THR 50 -1.255 7.600 -6.327 351 HA THR 50 HA THR 50 -1.293 8.633 -9.013 352 HB THR 50 HB THR 50 -3.193 9.172 -6.691 353 HG1 THR 50 1HG THR 50 -4.009 7.279 -7.180 354 HG21 THR 50 1HG2 THR 50 -4.803 9.784 -8.461 355 HG22 THR 50 2HG2 THR 50 -3.379 10.851 -8.495 356 HG23 THR 50 3HG2 THR 50 -3.541 9.545 -9.692 357 H ASP 51 H ASP 51 -0.755 10.146 -5.870 358 HA ASP 51 HA ASP 51 -0.913 12.856 -6.979 359 HB2 ASP 51 1HB ASP 51 -0.007 11.835 -4.221 360 HB3 ASP 51 2HB ASP 51 -0.023 13.496 -4.863 361 H LYS 52 H LYS 52 1.406 10.431 -7.061 362 HA LYS 52 HA LYS 52 3.669 10.428 -7.598 363 HB2 LYS 52 1HB LYS 52 2.973 13.159 -8.690 364 HB3 LYS 52 2HB LYS 52 4.444 12.226 -9.054 365 HG2 LYS 52 1HG LYS 52 3.081 10.478 -10.118 366 HG3 LYS 52 2HG LYS 52 1.604 11.397 -9.743 367 HD2 LYS 52 1HD LYS 52 2.450 13.277 -11.120 368 HD3 LYS 52 2HD LYS 52 3.886 12.308 -11.529 369 HE2 LYS 52 1HE LYS 52 2.486 10.628 -12.602 370 HE3 LYS 52 2HE LYS 52 1.019 11.516 -12.127 371 HZ1 LYS 52 3HZ LYS 52 3.111 12.514 -13.953 372 HZ2 LYS 52 1HZ LYS 52 1.626 11.958 -14.408 373 HZ3 LYS 52 2HZ LYS 52 1.751 13.338 -13.512 374 H ASN 53 H ASN 53 3.194 11.029 -4.984 375 HA ASN 53 HA ASN 53 4.862 13.403 -4.331 376 HB2 ASN 53 1HB ASN 53 3.261 11.611 -2.352 377 HB3 ASN 53 2HB ASN 53 4.453 12.925 -2.214 378 HD21 ASN 53 2HD2 ASN 53 1.505 12.579 -1.560 379 HD22 ASN 53 1HD2 ASN 53 0.760 13.988 -2.239 380 H GLY 54 H GLY 54 5.333 10.167 -5.005 381 HA2 GLY 54 1HA GLY 54 7.586 9.258 -4.938 382 HA3 GLY 54 2HA GLY 54 7.878 10.174 -3.441 383 H ARG 55 H ARG 55 5.172 9.460 -2.406 384 HA ARG 55 HA ARG 55 5.405 6.511 -2.043 385 HB2 ARG 55 1HB ARG 55 5.312 8.447 0.228 386 HB3 ARG 55 2HB ARG 55 5.083 6.685 0.333 387 HG2 ARG 55 1HG ARG 55 7.599 8.014 -0.712 388 HG3 ARG 55 2HG ARG 55 7.375 7.496 0.977 389 HD2 ARG 55 1HD ARG 55 6.975 5.201 0.111 390 HD3 ARG 55 2HD ARG 55 7.480 5.796 -1.488 391 HE ARG 55 HE ARG 55 9.359 5.213 0.739 392 HH11 ARG 55 1HH1 ARG 55 8.923 6.873 -2.297 393 HH12 ARG 55 2HH1 ARG 55 10.661 6.955 -2.508 394 HH21 ARG 55 1HH2 ARG 55 11.350 5.291 0.506 395 HH22 ARG 55 2HH2 ARG 55 12.047 6.052 -0.911 396 H ILE 56 H ILE 56 3.520 5.711 -0.663 397 HA ILE 56 HA ILE 56 1.059 6.919 -1.874 398 HB ILE 56 HB ILE 56 1.569 4.177 -0.628 399 HG12 ILE 56 1HG1 ILE 56 1.029 4.934 -3.487 400 HG13 ILE 56 2HG1 ILE 56 2.631 4.575 -2.804 401 HG21 ILE 56 1HG2 ILE 56 -0.707 3.636 -1.428 402 HG22 ILE 56 2HG2 ILE 56 -0.743 4.967 -0.249 403 HG23 ILE 56 3HG2 ILE 56 -0.911 5.313 -1.986 404 HD11 ILE 56 3HD1 ILE 56 0.282 2.652 -2.935 405 HD12 ILE 56 1HD1 ILE 56 1.713 2.622 -3.991 406 HD13 ILE 56 2HD1 ILE 56 1.885 2.293 -2.250 407 H ASP 57 H ASP 57 -0.238 8.097 -0.798 408 HA ASP 57 HA ASP 57 0.065 8.269 2.137 409 HB2 ASP 57 1HB ASP 57 -1.298 10.293 1.956 410 HB3 ASP 57 2HB ASP 57 -0.093 10.148 0.652 411 H PHE 58 H PHE 58 -2.319 8.869 3.106 412 HA PHE 58 HA PHE 58 -3.402 6.201 3.471 413 HB2 PHE 58 1HB PHE 58 -3.280 8.015 5.254 414 HB3 PHE 58 2HB PHE 58 -4.616 8.829 4.410 415 HD1 PHE 58 1HD PHE 58 -4.539 5.195 4.447 416 HD2 PHE 58 2HD PHE 58 -5.931 8.705 6.447 417 HE1 PHE 58 1HE PHE 58 -6.169 3.829 5.706 418 HE2 PHE 58 2HE PHE 58 -7.562 7.341 7.709 419 HZ PHE 58 HZ PHE 58 -7.681 4.902 7.336 420 H ASP 59 H ASP 59 -4.429 9.060 1.674 421 HA ASP 59 HA ASP 59 -7.123 8.214 1.191 422 HB2 ASP 59 1HB ASP 59 -5.298 10.085 -0.435 423 HB3 ASP 59 2HB ASP 59 -6.991 9.624 -0.740 424 H GLU 60 H GLU 60 -4.144 7.731 -0.698 425 HA GLU 60 HA GLU 60 -5.566 6.149 -2.720 426 HB2 GLU 60 1HB GLU 60 -2.634 6.616 -2.161 427 HB3 GLU 60 2HB GLU 60 -3.268 5.672 -3.531 428 HG2 GLU 60 1HG GLU 60 -3.683 8.690 -3.081 429 HG3 GLU 60 2HG GLU 60 -2.638 7.832 -4.236 430 H PHE 61 H PHE 61 -3.677 5.515 0.183 431 HA PHE 61 HA PHE 61 -3.428 2.700 -0.031 432 HB2 PHE 61 1HB PHE 61 -2.385 3.799 1.832 433 HB3 PHE 61 2HB PHE 61 -3.926 4.508 2.365 434 HD1 PHE 61 1HD PHE 61 -1.923 1.433 2.176 435 HD2 PHE 61 2HD PHE 61 -5.474 3.280 3.670 436 HE1 PHE 61 1HE PHE 61 -2.274 -0.480 3.702 437 HE2 PHE 61 2HE PHE 61 -5.826 1.371 5.200 438 HZ PHE 61 HZ PHE 61 -4.226 -0.510 5.214 439 H LEU 62 H LEU 62 -6.194 4.631 1.119 440 HA LEU 62 HA LEU 62 -7.856 2.430 1.828 441 HB2 LEU 62 1HB LEU 62 -8.369 5.127 0.772 442 HB3 LEU 62 2HB LEU 62 -9.750 4.158 1.338 443 HG LEU 62 HG LEU 62 -7.391 5.025 3.053 444 HD11 LEU 62 1HD1 LEU 62 -9.041 6.569 4.144 445 HD12 LEU 62 2HD1 LEU 62 -8.842 6.951 2.418 446 HD13 LEU 62 3HD1 LEU 62 -10.276 6.054 2.972 447 HD21 LEU 62 3HD2 LEU 62 -8.370 2.930 3.777 448 HD22 LEU 62 1HD2 LEU 62 -8.770 4.219 4.937 449 HD23 LEU 62 2HD2 LEU 62 -9.996 3.655 3.775 450 H LYS 63 H LYS 63 -7.202 3.922 -1.294 451 HA LYS 63 HA LYS 63 -9.268 2.412 -2.691 452 HB2 LYS 63 1HB LYS 63 -6.798 3.869 -3.639 453 HB3 LYS 63 2HB LYS 63 -8.002 3.116 -4.712 454 HG2 LYS 63 1HG LYS 63 -9.729 4.630 -3.884 455 HG3 LYS 63 2HG LYS 63 -8.574 5.350 -2.736 456 HD2 LYS 63 1HD LYS 63 -7.159 6.037 -4.684 457 HD3 LYS 63 2HD LYS 63 -8.442 5.446 -5.767 458 HE2 LYS 63 1HE LYS 63 -10.002 7.057 -4.932 459 HE3 LYS 63 2HE LYS 63 -8.900 7.529 -3.618 460 HZ1 LYS 63 3HZ LYS 63 -8.417 7.960 -6.496 461 HZ2 LYS 63 1HZ LYS 63 -8.872 9.121 -5.415 462 HZ3 LYS 63 2HZ LYS 63 -7.395 8.397 -5.277 463 H MET 64 H MET 64 -5.866 1.911 -1.928 464 HA MET 64 HA MET 64 -5.561 -0.430 -3.617 465 HB2 MET 64 1HB MET 64 -4.078 0.545 -1.177 466 HB3 MET 64 2HB MET 64 -3.600 -0.866 -2.152 467 HG2 MET 64 1HG MET 64 -3.766 2.008 -3.111 468 HG3 MET 64 2HG MET 64 -2.274 1.115 -2.733 469 HE1 MET 64 3HE MET 64 -4.270 2.443 -5.489 470 HE2 MET 64 1HE MET 64 -4.610 1.115 -6.624 471 HE3 MET 64 2HE MET 64 -5.472 1.198 -5.068 472 H MET 65 H MET 65 -6.866 0.132 -0.431 473 HA MET 65 HA MET 65 -6.662 -2.662 0.409 474 HB2 MET 65 1HB MET 65 -8.160 -0.262 1.447 475 HB3 MET 65 2HB MET 65 -8.250 -1.876 2.194 476 HG2 MET 65 1HG MET 65 -5.753 -0.181 1.873 477 HG3 MET 65 2HG MET 65 -6.665 -0.425 3.382 478 HE1 MET 65 3HE MET 65 -7.425 -3.439 3.411 479 HE2 MET 65 1HE MET 65 -6.016 -4.167 4.221 480 HE3 MET 65 2HE MET 65 -6.666 -2.610 4.792 481 H GLU 66 H GLU 66 -8.637 -1.048 -1.773 482 HA GLU 66 HA GLU 66 -11.178 -2.273 -1.261 483 HB2 GLU 66 1HB GLU 66 -9.875 -1.274 -3.793 484 HB3 GLU 66 2HB GLU 66 -11.554 -1.861 -3.705 485 HG2 GLU 66 1HG GLU 66 -12.101 0.011 -2.096 486 HG3 GLU 66 2HG GLU 66 -10.371 0.415 -2.168 487 H ASN 67 H ASN 67 -8.255 -3.480 -2.730 488 HA ASN 67 HA ASN 67 -9.734 -5.935 -3.609 489 HB2 ASN 67 1HB ASN 67 -6.931 -5.052 -4.632 490 HB3 ASN 67 2HB ASN 67 -7.987 -6.478 -4.783 491 HD21 ASN 67 2HD2 ASN 67 -7.237 -3.368 -5.926 492 HD22 ASN 67 1HD2 ASN 67 -8.524 -3.211 -7.074 493 H VAL 68 H VAL 68 -8.345 -4.915 -0.927 494 HA VAL 68 HA VAL 68 -6.628 -7.324 -0.450 495 HB VAL 68 HB VAL 68 -7.167 -4.843 1.236 496 HG11 VAL 68 1HG1 VAL 68 -5.367 -5.717 2.688 497 HG12 VAL 68 2HG1 VAL 68 -6.741 -6.845 2.621 498 HG13 VAL 68 3HG1 VAL 68 -5.266 -7.181 1.682 499 HG21 VAL 68 3HG2 VAL 68 -5.826 -4.356 -0.723 500 HG22 VAL 68 1HG2 VAL 68 -4.839 -4.277 0.755 501 HG23 VAL 68 2HG2 VAL 68 -4.719 -5.691 -0.320 502 H GLN 69 H GLN 69 -7.132 -8.991 0.692 503 HA GLN 69 HA GLN 69 -9.859 -9.507 1.386 504 HB2 GLN 69 1HB GLN 69 -8.140 -11.224 0.904 505 HB3 GLN 69 2HB GLN 69 -7.339 -10.810 2.437 506 HG2 GLN 69 1HG GLN 69 -9.559 -11.699 3.672 507 HG3 GLN 69 2HG GLN 69 -10.017 -11.788 1.954 508 HE21 GLN 69 2HE2 GLN 69 -10.241 -13.978 3.653 509 HE22 GLN 69 1HE2 GLN 69 -9.085 -15.181 3.189 Start of MODEL 15 1 H1 SER 1 1H SER 1 -16.411 0.272 3.705 2 H2 SER 1 2H SER 1 -16.401 -0.555 4.957 3 H3 SER 1 3H SER 1 -15.893 0.856 4.986 4 HA SER 1 HA SER 1 -14.256 -1.478 4.420 5 HB2 SER 1 1HB SER 1 -14.412 0.443 2.176 6 HB3 SER 1 2HB SER 1 -13.259 -0.894 2.393 7 HG SER 1 HG SER 1 -15.050 -1.468 1.085 8 H GLU 2 H GLU 2 -14.500 2.087 4.281 9 HA GLU 2 HA GLU 2 -11.757 2.722 4.478 10 HB2 GLU 2 1HB GLU 2 -13.535 4.340 4.024 11 HB3 GLU 2 2HB GLU 2 -14.121 4.160 5.696 12 HG2 GLU 2 1HG GLU 2 -11.915 5.126 6.522 13 HG3 GLU 2 2HG GLU 2 -11.459 5.190 4.805 14 H GLU 3 H GLU 3 -14.054 1.916 7.053 15 HA GLU 3 HA GLU 3 -12.287 2.608 9.222 16 HB2 GLU 3 1HB GLU 3 -14.641 0.729 9.019 17 HB3 GLU 3 2HB GLU 3 -13.784 1.087 10.536 18 HG2 GLU 3 1HG GLU 3 -14.470 3.507 10.336 19 HG3 GLU 3 2HG GLU 3 -15.158 3.059 8.758 20 H GLU 4 H GLU 4 -12.817 -0.385 7.406 21 HA GLU 4 HA GLU 4 -10.990 -1.936 9.072 22 HB2 GLU 4 1HB GLU 4 -12.146 -2.371 6.317 23 HB3 GLU 4 2HB GLU 4 -11.101 -3.538 7.163 24 HG2 GLU 4 1HG GLU 4 -12.858 -3.740 8.983 25 HG3 GLU 4 2HG GLU 4 -13.753 -2.500 8.073 26 H LEU 5 H LEU 5 -10.704 0.011 6.156 27 HA LEU 5 HA LEU 5 -7.992 -0.915 5.577 28 HB2 LEU 5 1HB LEU 5 -9.637 1.379 4.738 29 HB3 LEU 5 2HB LEU 5 -8.059 1.107 3.965 30 HG LEU 5 HG LEU 5 -10.517 -0.679 3.830 31 HD11 LEU 5 1HD1 LEU 5 -10.365 -0.200 1.372 32 HD12 LEU 5 2HD1 LEU 5 -10.558 1.298 2.311 33 HD13 LEU 5 3HD1 LEU 5 -8.957 0.844 1.678 34 HD21 LEU 5 3HD2 LEU 5 -8.523 -2.044 4.026 35 HD22 LEU 5 1HD2 LEU 5 -9.172 -2.151 2.372 36 HD23 LEU 5 2HD2 LEU 5 -7.741 -1.143 2.705 37 H SER 6 H SER 6 -9.428 1.596 7.529 38 HA SER 6 HA SER 6 -7.080 3.185 8.092 39 HB2 SER 6 1HB SER 6 -9.470 2.581 9.724 40 HB3 SER 6 2HB SER 6 -8.178 3.733 10.132 41 HG SER 6 HG SER 6 -9.944 4.722 9.061 42 H GLU 7 H GLU 7 -8.413 0.186 9.535 43 HA GLU 7 HA GLU 7 -6.332 -0.092 11.525 44 HB2 GLU 7 1HB GLU 7 -8.230 -2.066 10.252 45 HB3 GLU 7 2HB GLU 7 -7.110 -2.467 11.577 46 HG2 GLU 7 1HG GLU 7 -8.310 -0.844 13.079 47 HG3 GLU 7 2HG GLU 7 -9.253 -0.386 11.642 48 H CYS 8 H CYS 8 -6.784 -1.489 8.279 49 HA CYS 8 HA CYS 8 -4.390 -3.099 8.206 50 HB2 CYS 8 1HB CYS 8 -6.158 -1.657 6.188 51 HB3 CYS 8 2HB CYS 8 -4.884 -2.815 5.735 52 HG CYS 8 HG CYS 8 -7.179 -3.853 5.427 53 H PHE 9 H PHE 9 -5.075 0.305 7.341 54 HA PHE 9 HA PHE 9 -2.510 0.944 6.261 55 HB2 PHE 9 1HB PHE 9 -4.470 2.437 6.029 56 HB3 PHE 9 2HB PHE 9 -4.460 2.728 7.782 57 HD1 PHE 9 1HD PHE 9 -2.469 3.159 4.683 58 HD2 PHE 9 2HD PHE 9 -3.159 4.399 8.712 59 HE1 PHE 9 1HE PHE 9 -0.939 5.073 4.355 60 HE2 PHE 9 2HE PHE 9 -1.632 6.316 8.387 61 HZ PHE 9 HZ PHE 9 -0.520 6.651 6.207 62 H ARG 10 H ARG 10 -3.725 1.162 9.604 63 HA ARG 10 HA ARG 10 -1.253 2.164 10.697 64 HB2 ARG 10 1HB ARG 10 -3.559 0.756 11.954 65 HB3 ARG 10 2HB ARG 10 -2.125 1.320 12.843 66 HG2 ARG 10 1HG ARG 10 -2.588 3.623 12.183 67 HG3 ARG 10 2HG ARG 10 -3.984 3.083 11.219 68 HD2 ARG 10 1HD ARG 10 -5.093 2.345 13.227 69 HD3 ARG 10 2HD ARG 10 -3.693 2.855 14.198 70 HE ARG 10 HE ARG 10 -4.713 5.206 12.864 71 HH11 ARG 10 1HH1 ARG 10 -5.801 2.919 15.261 72 HH12 ARG 10 2HH1 ARG 10 -6.779 4.164 16.012 73 HH21 ARG 10 1HH2 ARG 10 -5.834 6.640 13.708 74 HH22 ARG 10 2HH2 ARG 10 -6.800 6.286 15.128 75 H ILE 11 H ILE 11 -2.466 -1.086 10.062 76 HA ILE 11 HA ILE 11 -0.282 -2.445 11.431 77 HB ILE 11 HB ILE 11 -2.224 -3.327 9.250 78 HG12 ILE 11 1HG1 ILE 11 -2.075 -4.152 12.133 79 HG13 ILE 11 2HG1 ILE 11 -3.077 -2.809 11.535 80 HG21 ILE 11 1HG2 ILE 11 -1.418 -5.620 9.698 81 HG22 ILE 11 2HG2 ILE 11 -0.105 -4.590 9.079 82 HG23 ILE 11 3HG2 ILE 11 -0.192 -4.972 10.814 83 HD11 ILE 11 3HD1 ILE 11 -3.298 -5.716 10.674 84 HD12 ILE 11 1HD1 ILE 11 -4.404 -4.870 11.781 85 HD13 ILE 11 2HD1 ILE 11 -4.300 -4.373 10.075 86 H PHE 12 H PHE 12 -0.796 -1.404 8.083 87 HA PHE 12 HA PHE 12 1.574 -2.802 7.137 88 HB2 PHE 12 1HB PHE 12 -0.130 -0.611 5.876 89 HB3 PHE 12 2HB PHE 12 1.165 -1.499 5.043 90 HD1 PHE 12 1HD PHE 12 0.334 -4.137 6.631 91 HD2 PHE 12 2HD PHE 12 -1.679 -1.308 4.141 92 HE1 PHE 12 1HE PHE 12 -1.286 -5.880 5.964 93 HE2 PHE 12 2HE PHE 12 -3.303 -3.048 3.474 94 HZ PHE 12 HZ PHE 12 -3.106 -5.336 4.384 95 H ASP 13 H ASP 13 0.874 0.507 8.170 96 HA ASP 13 HA ASP 13 3.661 1.336 7.641 97 HB2 ASP 13 1HB ASP 13 1.597 2.934 7.436 98 HB3 ASP 13 2HB ASP 13 1.542 2.669 9.197 99 H LYS 14 H LYS 14 4.605 -0.375 8.932 100 HA LYS 14 HA LYS 14 4.096 -0.487 11.788 101 HB2 LYS 14 1HB LYS 14 6.317 -1.557 10.045 102 HB3 LYS 14 2HB LYS 14 6.191 -1.856 11.796 103 HG2 LYS 14 1HG LYS 14 4.026 -2.977 11.449 104 HG3 LYS 14 2HG LYS 14 4.154 -2.682 9.699 105 HD2 LYS 14 1HD LYS 14 6.213 -4.032 9.621 106 HD3 LYS 14 2HD LYS 14 6.082 -4.329 11.371 107 HE2 LYS 14 1HE LYS 14 3.933 -5.458 11.029 108 HE3 LYS 14 2HE LYS 14 4.037 -5.142 9.282 109 HZ1 LYS 14 3HZ LYS 14 5.917 -6.798 10.839 110 HZ2 LYS 14 1HZ LYS 14 4.748 -7.370 9.826 111 HZ3 LYS 14 2HZ LYS 14 6.014 -6.505 9.219 112 H ASP 15 H ASP 15 6.310 1.303 9.753 113 HA ASP 15 HA ASP 15 8.068 2.127 11.918 114 HB2 ASP 15 1HB ASP 15 7.622 3.300 9.106 115 HB3 ASP 15 2HB ASP 15 8.701 3.866 10.405 116 H GLY 16 H GLY 16 4.961 3.153 10.792 117 HA2 GLY 16 1HA GLY 16 3.509 4.709 11.728 118 HA3 GLY 16 2HA GLY 16 4.720 5.035 12.991 119 H ASN 17 H ASN 17 5.185 5.257 9.477 120 HA ASN 17 HA ASN 17 6.382 7.911 9.804 121 HB2 ASN 17 1HB ASN 17 5.990 6.314 7.161 122 HB3 ASN 17 2HB ASN 17 6.595 7.929 7.603 123 HD21 ASN 17 2HD2 ASN 17 7.869 5.510 6.397 124 HD22 ASN 17 1HD2 ASN 17 9.264 5.208 7.379 125 H GLY 18 H GLY 18 3.252 6.681 9.067 126 HA2 GLY 18 1HA GLY 18 1.319 8.099 9.059 127 HA3 GLY 18 2HA GLY 18 2.336 9.460 8.534 128 H PHE 19 H PHE 19 2.844 6.401 7.001 129 HA PHE 19 HA PHE 19 1.017 6.599 4.813 130 HB2 PHE 19 1HB PHE 19 2.547 7.502 3.072 131 HB3 PHE 19 2HB PHE 19 2.170 8.723 4.308 132 HD1 PHE 19 1HD PHE 19 4.746 6.333 3.149 133 HD2 PHE 19 2HD PHE 19 3.845 9.743 5.561 134 HE1 PHE 19 1HE PHE 19 7.163 6.723 3.499 135 HE2 PHE 19 2HE PHE 19 6.261 10.137 5.911 136 HZ PHE 19 HZ PHE 19 7.920 8.625 4.880 137 H ILE 20 H ILE 20 1.657 5.281 2.947 138 HA ILE 20 HA ILE 20 3.233 2.932 3.890 139 HB ILE 20 HB ILE 20 1.545 3.332 1.377 140 HG12 ILE 20 1HG1 ILE 20 0.158 3.433 3.300 141 HG13 ILE 20 2HG1 ILE 20 -0.080 1.889 2.448 142 HG21 ILE 20 1HG2 ILE 20 1.725 0.876 1.167 143 HG22 ILE 20 2HG2 ILE 20 3.329 1.643 1.114 144 HG23 ILE 20 3HG2 ILE 20 2.780 0.831 2.598 145 HD11 ILE 20 3HD1 ILE 20 1.560 2.292 4.974 146 HD12 ILE 20 1HD1 ILE 20 -0.059 1.563 4.890 147 HD13 ILE 20 2HD1 ILE 20 1.324 0.749 4.122 148 H ASP 21 H ASP 21 5.256 2.765 3.562 149 HA ASP 21 HA ASP 21 6.582 4.305 1.438 150 HB2 ASP 21 1HB ASP 21 7.502 3.498 3.894 151 HB3 ASP 21 2HB ASP 21 7.840 2.099 2.845 152 H ARG 22 H ARG 22 8.237 3.173 0.068 153 HA ARG 22 HA ARG 22 6.834 1.400 -1.717 154 HB2 ARG 22 1HB ARG 22 8.545 2.977 -2.413 155 HB3 ARG 22 2HB ARG 22 9.765 1.953 -1.622 156 HG2 ARG 22 1HG ARG 22 9.168 0.092 -3.118 157 HG3 ARG 22 2HG ARG 22 7.960 1.127 -3.917 158 HD2 ARG 22 1HD ARG 22 9.871 1.014 -5.284 159 HD3 ARG 22 2HD ARG 22 9.793 2.641 -4.568 160 HE ARG 22 HE ARG 22 11.930 2.120 -3.447 161 HH11 ARG 22 1HH1 ARG 22 10.569 -0.796 -4.789 162 HH12 ARG 22 2HH1 ARG 22 12.080 -1.637 -4.509 163 HH21 ARG 22 1HH2 ARG 22 13.665 1.169 -3.113 164 HH22 ARG 22 2HH2 ARG 22 13.847 -0.519 -3.552 165 H GLU 23 H GLU 23 9.411 0.837 0.674 166 HA GLU 23 HA GLU 23 9.547 -2.014 0.167 167 HB2 GLU 23 1HB GLU 23 10.363 -0.297 2.512 168 HB3 GLU 23 2HB GLU 23 10.658 -2.049 2.410 169 HG2 GLU 23 1HG GLU 23 12.120 -1.667 0.386 170 HG3 GLU 23 2HG GLU 23 11.639 0.040 0.511 171 H GLU 24 H GLU 24 7.721 -0.005 2.447 172 HA GLU 24 HA GLU 24 6.455 -2.211 3.810 173 HB2 GLU 24 1HB GLU 24 5.624 0.654 3.343 174 HB3 GLU 24 2HB GLU 24 4.718 -0.496 4.356 175 HG2 GLU 24 1HG GLU 24 6.650 -0.647 5.938 176 HG3 GLU 24 2HG GLU 24 7.571 0.298 4.746 177 H PHE 25 H PHE 25 5.758 -0.500 0.813 178 HA PHE 25 HA PHE 25 3.165 -1.720 0.390 179 HB2 PHE 25 1HB PHE 25 4.010 0.356 -0.789 180 HB3 PHE 25 2HB PHE 25 5.109 -0.691 -1.716 181 HD1 PHE 25 1HD PHE 25 1.499 -0.268 -0.887 182 HD2 PHE 25 2HD PHE 25 4.429 -1.566 -3.711 183 HE1 PHE 25 1HE PHE 25 -0.284 -0.664 -2.552 184 HE2 PHE 25 2HE PHE 25 2.650 -1.961 -5.381 185 HZ PHE 25 HZ PHE 25 0.291 -1.511 -4.799 186 H GLY 26 H GLY 26 6.477 -2.629 -0.492 187 HA2 GLY 26 1HA GLY 26 5.877 -4.954 -1.989 188 HA3 GLY 26 2HA GLY 26 7.331 -4.717 -0.992 189 H ASP 27 H ASP 27 6.103 -4.445 1.530 190 HA ASP 27 HA ASP 27 5.611 -7.190 2.266 191 HB2 ASP 27 1HB ASP 27 5.144 -4.576 3.823 192 HB3 ASP 27 2HB ASP 27 4.846 -6.256 4.331 193 H ILE 28 H ILE 28 3.470 -4.439 1.629 194 HA ILE 28 HA ILE 28 1.009 -5.767 2.312 195 HB ILE 28 HB ILE 28 1.639 -3.565 0.298 196 HG12 ILE 28 1HG1 ILE 28 0.295 -3.430 2.984 197 HG13 ILE 28 2HG1 ILE 28 2.021 -3.105 2.692 198 HG21 ILE 28 1HG2 ILE 28 -0.798 -3.161 0.240 199 HG22 ILE 28 2HG2 ILE 28 -0.405 -4.785 -0.367 200 HG23 ILE 28 3HG2 ILE 28 -1.060 -4.584 1.275 201 HD11 ILE 28 3HD1 ILE 28 -0.308 -1.572 1.481 202 HD12 ILE 28 1HD1 ILE 28 0.728 -1.011 2.813 203 HD13 ILE 28 2HD1 ILE 28 1.416 -1.247 1.189 204 H ILE 29 H ILE 29 2.870 -5.701 -0.698 205 HA ILE 29 HA ILE 29 0.945 -7.371 -2.125 206 HB ILE 29 HB ILE 29 3.710 -6.314 -2.622 207 HG12 ILE 29 1HG1 ILE 29 2.773 -5.725 -4.758 208 HG13 ILE 29 2HG1 ILE 29 1.274 -6.599 -4.363 209 HG21 ILE 29 1HG2 ILE 29 4.017 -7.832 -4.548 210 HG22 ILE 29 2HG2 ILE 29 3.980 -8.739 -3.019 211 HG23 ILE 29 3HG2 ILE 29 2.552 -8.725 -4.077 212 HD11 ILE 29 3HD1 ILE 29 2.348 -4.160 -2.903 213 HD12 ILE 29 1HD1 ILE 29 0.994 -4.171 -4.056 214 HD13 ILE 29 2HD1 ILE 29 0.850 -5.035 -2.508 215 H ARG 30 H ARG 30 3.699 -8.004 -0.058 216 HA ARG 30 HA ARG 30 3.841 -10.832 -0.608 217 HB2 ARG 30 1HB ARG 30 5.619 -9.624 0.462 218 HB3 ARG 30 2HB ARG 30 4.581 -9.361 1.883 219 HG2 ARG 30 1HG ARG 30 4.509 -11.736 2.335 220 HG3 ARG 30 2HG ARG 30 5.400 -12.086 0.833 221 HD2 ARG 30 1HD ARG 30 7.347 -10.986 1.717 222 HD3 ARG 30 2HD ARG 30 6.460 -10.583 3.206 223 HE ARG 30 HE ARG 30 6.558 -13.483 2.919 224 HH11 ARG 30 1HH1 ARG 30 8.662 -10.796 3.639 225 HH12 ARG 30 2HH1 ARG 30 9.670 -11.842 4.620 226 HH21 ARG 30 1HH2 ARG 30 7.707 -14.694 4.032 227 HH22 ARG 30 2HH2 ARG 30 9.128 -14.065 4.844 228 H LEU 31 H LEU 31 1.771 -8.874 1.449 229 HA LEU 31 HA LEU 31 0.738 -11.258 2.851 230 HB2 LEU 31 1HB LEU 31 0.089 -8.386 2.841 231 HB3 LEU 31 2HB LEU 31 -0.772 -9.473 3.956 232 HG LEU 31 HG LEU 31 2.218 -8.907 3.960 233 HD11 LEU 31 1HD1 LEU 31 1.747 -7.764 6.143 234 HD12 LEU 31 2HD1 LEU 31 0.863 -6.993 4.805 235 HD13 LEU 31 3HD1 LEU 31 0.012 -8.088 5.920 236 HD21 LEU 31 3HD2 LEU 31 1.722 -11.175 4.660 237 HD22 LEU 31 1HD2 LEU 31 2.243 -10.209 6.060 238 HD23 LEU 31 2HD2 LEU 31 0.518 -10.581 5.829 239 H THR 32 H THR 32 -0.390 -8.912 0.432 240 HA THR 32 HA THR 32 -2.936 -10.493 0.253 241 HB THR 32 HB THR 32 -4.117 -8.416 -0.243 242 HG1 THR 32 1HG THR 32 -2.814 -6.962 -1.117 243 HG21 THR 32 1HG2 THR 32 -3.910 -7.276 1.938 244 HG22 THR 32 2HG2 THR 32 -3.888 -9.045 2.135 245 HG23 THR 32 3HG2 THR 32 -2.372 -8.119 2.234 246 H GLY 33 H GLY 33 -0.190 -9.328 -1.369 247 HA2 GLY 33 1HA GLY 33 -1.553 -9.288 -4.004 248 HA3 GLY 33 2HA GLY 33 0.111 -8.759 -3.662 249 H GLU 34 H GLU 34 -1.777 -11.775 -3.179 250 HA GLU 34 HA GLU 34 0.521 -13.475 -3.540 251 HB2 GLU 34 1HB GLU 34 -2.450 -13.994 -3.669 252 HB3 GLU 34 2HB GLU 34 -1.212 -15.267 -3.796 253 HG2 GLU 34 1HG GLU 34 -0.428 -14.698 -1.455 254 HG3 GLU 34 2HG GLU 34 -1.634 -13.392 -1.505 255 H GLN 35 H GLN 35 -1.802 -12.095 -5.758 256 HA GLN 35 HA GLN 35 -0.805 -13.827 -7.959 257 HB2 GLN 35 1HB GLN 35 -2.915 -11.658 -7.922 258 HB3 GLN 35 2HB GLN 35 -2.528 -12.727 -9.292 259 HG2 GLN 35 1HG GLN 35 -3.965 -13.687 -6.668 260 HG3 GLN 35 2HG GLN 35 -4.399 -13.362 -8.362 261 HE21 GLN 35 2HE2 GLN 35 -3.565 -15.723 -6.162 262 HE22 GLN 35 1HE2 GLN 35 -3.035 -16.956 -7.258 263 H LEU 36 H LEU 36 0.229 -11.107 -6.458 264 HA LEU 36 HA LEU 36 0.991 -9.704 -8.980 265 HB2 LEU 36 1HB LEU 36 1.161 -9.003 -6.121 266 HB3 LEU 36 2HB LEU 36 1.652 -7.836 -7.369 267 HG LEU 36 HG LEU 36 -1.153 -8.917 -6.892 268 HD11 LEU 36 1HD1 LEU 36 -1.676 -6.535 -6.301 269 HD12 LEU 36 2HD1 LEU 36 -0.427 -7.208 -5.228 270 HD13 LEU 36 3HD1 LEU 36 0.034 -6.112 -6.553 271 HD21 LEU 36 3HD2 LEU 36 -0.739 -8.587 -9.258 272 HD22 LEU 36 1HD2 LEU 36 -1.855 -7.338 -8.657 273 HD23 LEU 36 2HD2 LEU 36 -0.145 -6.937 -8.955 274 H THR 37 H THR 37 3.074 -9.117 -9.464 275 HA THR 37 HA THR 37 5.091 -11.016 -8.386 276 HB THR 37 HB THR 37 6.457 -10.391 -10.280 277 HG1 THR 37 1HG THR 37 5.364 -8.762 -11.775 278 HG21 THR 37 1HG2 THR 37 4.967 -10.965 -12.165 279 HG22 THR 37 2HG2 THR 37 4.628 -11.985 -10.746 280 HG23 THR 37 3HG2 THR 37 3.548 -10.629 -11.146 281 H ASP 38 H ASP 38 7.381 -10.120 -8.290 282 HA ASP 38 HA ASP 38 7.496 -8.029 -6.292 283 HB2 ASP 38 1HB ASP 38 9.717 -9.352 -7.962 284 HB3 ASP 38 2HB ASP 38 9.845 -8.063 -6.739 285 H GLU 39 H GLU 39 7.708 -8.068 -9.784 286 HA GLU 39 HA GLU 39 8.679 -5.318 -9.983 287 HB2 GLU 39 1HB GLU 39 7.326 -7.175 -11.944 288 HB3 GLU 39 2HB GLU 39 7.916 -5.542 -12.343 289 HG2 GLU 39 1HG GLU 39 10.273 -6.290 -11.811 290 HG3 GLU 39 2HG GLU 39 9.542 -7.837 -11.327 291 H ASP 40 H ASP 40 5.528 -6.896 -9.885 292 HA ASP 40 HA ASP 40 3.954 -4.611 -10.596 293 HB2 ASP 40 1HB ASP 40 3.269 -7.021 -8.809 294 HB3 ASP 40 2HB ASP 40 2.244 -5.644 -9.284 295 H VAL 41 H VAL 41 5.611 -5.479 -7.649 296 HA VAL 41 HA VAL 41 4.263 -3.751 -5.806 297 HB VAL 41 HB VAL 41 7.200 -4.541 -5.987 298 HG11 VAL 41 1HG1 VAL 41 7.323 -3.825 -3.624 299 HG12 VAL 41 2HG1 VAL 41 6.898 -2.461 -4.686 300 HG13 VAL 41 3HG1 VAL 41 5.639 -3.255 -3.708 301 HG21 VAL 41 3HG2 VAL 41 5.717 -6.435 -5.698 302 HG22 VAL 41 1HG2 VAL 41 6.640 -6.121 -4.210 303 HG23 VAL 41 2HG2 VAL 41 4.931 -5.634 -4.316 304 H ASP 42 H ASP 42 7.122 -3.027 -7.818 305 HA ASP 42 HA ASP 42 7.108 -0.243 -6.955 306 HB2 ASP 42 1HB ASP 42 8.654 -1.661 -9.209 307 HB3 ASP 42 2HB ASP 42 8.668 0.056 -8.735 308 H GLU 43 H GLU 43 5.859 -2.017 -9.734 309 HA GLU 43 HA GLU 43 5.297 0.309 -11.346 310 HB2 GLU 43 1HB GLU 43 4.160 -2.485 -11.288 311 HB3 GLU 43 2HB GLU 43 3.677 -1.250 -12.474 312 HG2 GLU 43 1HG GLU 43 6.031 -1.183 -13.360 313 HG3 GLU 43 2HG GLU 43 6.446 -2.278 -12.020 314 H ILE 44 H ILE 44 3.207 -1.660 -9.220 315 HA ILE 44 HA ILE 44 0.912 0.096 -9.555 316 HB ILE 44 HB ILE 44 1.606 -1.983 -7.432 317 HG12 ILE 44 1HG1 ILE 44 -0.381 -2.117 -9.682 318 HG13 ILE 44 2HG1 ILE 44 1.281 -2.744 -9.770 319 HG21 ILE 44 1HG2 ILE 44 -0.773 -1.834 -6.780 320 HG22 ILE 44 2HG2 ILE 44 0.056 -0.279 -6.534 321 HG23 ILE 44 3HG2 ILE 44 -1.009 -0.506 -7.941 322 HD11 ILE 44 3HD1 ILE 44 -0.861 -3.653 -7.816 323 HD12 ILE 44 1HD1 ILE 44 -0.322 -4.543 -9.259 324 HD13 ILE 44 2HD1 ILE 44 0.802 -4.280 -7.904 325 H PHE 45 H PHE 45 3.515 -0.086 -7.174 326 HA PHE 45 HA PHE 45 2.532 1.860 -5.361 327 HB2 PHE 45 1HB PHE 45 4.554 0.518 -4.910 328 HB3 PHE 45 2HB PHE 45 5.409 1.345 -6.232 329 HD1 PHE 45 1HD PHE 45 3.919 1.771 -2.884 330 HD2 PHE 45 2HD PHE 45 6.393 3.451 -5.935 331 HE1 PHE 45 1HE PHE 45 4.694 3.501 -1.299 332 HE2 PHE 45 2HE PHE 45 7.174 5.182 -4.351 333 HZ PHE 45 HZ PHE 45 6.322 5.208 -2.033 334 H GLY 46 H GLY 46 4.526 2.342 -8.283 335 HA2 GLY 46 1HA GLY 46 4.612 5.194 -8.054 336 HA3 GLY 46 2HA GLY 46 4.912 4.251 -9.531 337 H ASP 47 H ASP 47 2.361 2.954 -9.638 338 HA ASP 47 HA ASP 47 0.817 4.993 -10.991 339 HB2 ASP 47 1HB ASP 47 0.106 2.106 -10.195 340 HB3 ASP 47 2HB ASP 47 -0.902 3.322 -11.017 341 H SER 48 H SER 48 0.696 3.571 -7.771 342 HA SER 48 HA SER 48 -1.894 4.764 -7.029 343 HB2 SER 48 1HB SER 48 0.231 3.483 -5.423 344 HB3 SER 48 2HB SER 48 -1.340 4.070 -4.833 345 HG SER 48 HG SER 48 -2.320 2.636 -6.333 346 H ASP 49 H ASP 49 1.550 5.609 -6.792 347 HA ASP 49 HA ASP 49 1.021 7.961 -5.103 348 HB2 ASP 49 1HB ASP 49 3.247 6.591 -5.075 349 HB3 ASP 49 2HB ASP 49 3.391 7.270 -6.716 350 H THR 50 H THR 50 -0.632 8.850 -6.514 351 HA THR 50 HA THR 50 0.168 9.849 -9.144 352 HB THR 50 HB THR 50 -2.027 10.957 -9.154 353 HG1 THR 50 1HG THR 50 -2.240 9.996 -6.467 354 HG21 THR 50 1HG2 THR 50 -3.457 8.957 -8.913 355 HG22 THR 50 2HG2 THR 50 -1.925 8.554 -9.724 356 HG23 THR 50 3HG2 THR 50 -2.161 8.139 -8.010 357 H ASP 51 H ASP 51 0.493 10.957 -5.918 358 HA ASP 51 HA ASP 51 0.831 13.781 -6.719 359 HB2 ASP 51 1HB ASP 51 1.274 12.367 -4.020 360 HB3 ASP 51 2HB ASP 51 1.591 14.058 -4.483 361 H LYS 52 H LYS 52 2.682 10.980 -6.853 362 HA LYS 52 HA LYS 52 4.953 10.605 -7.190 363 HB2 LYS 52 1HB LYS 52 4.851 13.485 -8.103 364 HB3 LYS 52 2HB LYS 52 6.160 12.325 -8.430 365 HG2 LYS 52 1HG LYS 52 4.601 10.931 -9.731 366 HG3 LYS 52 2HG LYS 52 3.293 12.092 -9.406 367 HD2 LYS 52 1HD LYS 52 4.605 13.857 -10.554 368 HD3 LYS 52 2HD LYS 52 5.861 12.653 -10.927 369 HE2 LYS 52 1HE LYS 52 4.276 11.353 -12.238 370 HE3 LYS 52 2HE LYS 52 2.965 12.475 -11.809 371 HZ1 LYS 52 3HZ LYS 52 5.367 13.163 -13.379 372 HZ2 LYS 52 1HZ LYS 52 3.852 12.937 -13.993 373 HZ3 LYS 52 2HZ LYS 52 4.151 14.205 -12.981 374 H ASN 53 H ASN 53 4.315 11.147 -4.579 375 HA ASN 53 HA ASN 53 6.361 13.095 -3.626 376 HB2 ASN 53 1HB ASN 53 4.159 11.686 -1.935 377 HB3 ASN 53 2HB ASN 53 5.597 12.677 -1.592 378 HD21 ASN 53 2HD2 ASN 53 2.583 13.016 -1.317 379 HD22 ASN 53 1HD2 ASN 53 2.279 14.580 -1.998 380 H GLY 54 H GLY 54 6.200 9.871 -4.427 381 HA2 GLY 54 1HA GLY 54 7.827 8.218 -4.084 382 HA3 GLY 54 2HA GLY 54 8.615 9.259 -2.875 383 H ARG 55 H ARG 55 5.182 8.389 -2.901 384 HA ARG 55 HA ARG 55 5.285 6.419 -0.813 385 HB2 ARG 55 1HB ARG 55 4.656 7.633 1.085 386 HB3 ARG 55 2HB ARG 55 6.243 8.173 0.490 387 HG2 ARG 55 1HG ARG 55 5.198 10.170 -0.488 388 HG3 ARG 55 2HG ARG 55 3.609 9.630 0.105 389 HD2 ARG 55 1HD ARG 55 4.289 9.909 2.356 390 HD3 ARG 55 2HD ARG 55 5.961 10.251 1.858 391 HE ARG 55 HE ARG 55 5.221 12.557 1.361 392 HH11 ARG 55 1HH1 ARG 55 2.452 10.522 1.953 393 HH12 ARG 55 2HH1 ARG 55 1.427 11.938 2.068 394 HH21 ARG 55 1HH2 ARG 55 4.058 14.189 1.482 395 HH22 ARG 55 2HH2 ARG 55 2.342 14.030 1.799 396 H ILE 56 H ILE 56 3.254 5.789 -0.039 397 HA ILE 56 HA ILE 56 0.939 6.999 -1.531 398 HB ILE 56 HB ILE 56 1.260 4.221 -0.306 399 HG12 ILE 56 1HG1 ILE 56 0.985 5.018 -3.191 400 HG13 ILE 56 2HG1 ILE 56 2.524 4.641 -2.381 401 HG21 ILE 56 1HG2 ILE 56 -0.950 3.771 -1.317 402 HG22 ILE 56 2HG2 ILE 56 -1.048 5.084 -0.122 403 HG23 ILE 56 3HG2 ILE 56 -1.046 5.462 -1.860 404 HD11 ILE 56 3HD1 ILE 56 0.178 2.739 -2.717 405 HD12 ILE 56 1HD1 ILE 56 1.689 2.702 -3.653 406 HD13 ILE 56 2HD1 ILE 56 1.715 2.362 -1.906 407 H ASP 57 H ASP 57 -0.069 8.434 -0.435 408 HA ASP 57 HA ASP 57 -0.141 8.392 2.486 409 HB2 ASP 57 1HB ASP 57 -0.366 10.465 0.702 410 HB3 ASP 57 2HB ASP 57 -2.041 9.886 0.877 411 H PHE 58 H PHE 58 -2.267 8.693 3.622 412 HA PHE 58 HA PHE 58 -3.747 6.248 3.406 413 HB2 PHE 58 1HB PHE 58 -3.596 7.494 5.524 414 HB3 PHE 58 2HB PHE 58 -4.473 8.862 4.802 415 HD1 PHE 58 1HD PHE 58 -4.829 5.222 5.521 416 HD2 PHE 58 2HD PHE 58 -6.740 9.011 5.035 417 HE1 PHE 58 1HE PHE 58 -6.973 4.233 6.256 418 HE2 PHE 58 2HE PHE 58 -8.885 8.028 5.772 419 HZ PHE 58 HZ PHE 58 -9.001 5.636 6.381 420 H ASP 59 H ASP 59 -4.422 9.525 2.226 421 HA ASP 59 HA ASP 59 -7.062 9.008 1.259 422 HB2 ASP 59 1HB ASP 59 -4.935 10.995 0.255 423 HB3 ASP 59 2HB ASP 59 -6.604 10.746 -0.318 424 H GLU 60 H GLU 60 -3.884 8.467 -0.208 425 HA GLU 60 HA GLU 60 -5.144 7.382 -2.658 426 HB2 GLU 60 1HB GLU 60 -2.263 7.537 -1.757 427 HB3 GLU 60 2HB GLU 60 -2.825 6.953 -3.342 428 HG2 GLU 60 1HG GLU 60 -3.078 9.838 -2.298 429 HG3 GLU 60 2HG GLU 60 -1.987 9.149 -3.522 430 H PHE 61 H PHE 61 -4.068 6.259 0.409 431 HA PHE 61 HA PHE 61 -3.552 3.512 -0.320 432 HB2 PHE 61 1HB PHE 61 -2.810 4.437 1.842 433 HB3 PHE 61 2HB PHE 61 -4.501 4.712 2.317 434 HD1 PHE 61 1HD PHE 61 -1.986 2.117 1.544 435 HD2 PHE 61 2HD PHE 61 -5.805 3.008 3.238 436 HE1 PHE 61 1HE PHE 61 -2.074 -0.148 2.533 437 HE2 PHE 61 2HE PHE 61 -5.896 0.746 4.230 438 HZ PHE 61 HZ PHE 61 -4.030 -0.833 3.875 439 H LEU 62 H LEU 62 -6.485 5.232 0.718 440 HA LEU 62 HA LEU 62 -8.189 2.924 0.732 441 HB2 LEU 62 1HB LEU 62 -8.636 5.784 0.185 442 HB3 LEU 62 2HB LEU 62 -10.034 4.709 0.415 443 HG LEU 62 HG LEU 62 -7.899 5.361 2.484 444 HD11 LEU 62 1HD1 LEU 62 -9.784 6.491 3.692 445 HD12 LEU 62 2HD1 LEU 62 -9.509 7.223 2.094 446 HD13 LEU 62 3HD1 LEU 62 -10.867 6.098 2.336 447 HD21 LEU 62 3HD2 LEU 62 -8.683 3.078 2.708 448 HD22 LEU 62 1HD2 LEU 62 -9.307 4.067 4.049 449 HD23 LEU 62 2HD2 LEU 62 -10.376 3.627 2.695 450 H LYS 63 H LYS 63 -7.030 4.991 -1.851 451 HA LYS 63 HA LYS 63 -8.845 3.813 -3.838 452 HB2 LYS 63 1HB LYS 63 -6.332 5.463 -4.152 453 HB3 LYS 63 2HB LYS 63 -7.467 5.024 -5.451 454 HG2 LYS 63 1HG LYS 63 -9.229 6.341 -4.408 455 HG3 LYS 63 2HG LYS 63 -8.175 6.705 -3.023 456 HD2 LYS 63 1HD LYS 63 -6.574 7.785 -4.663 457 HD3 LYS 63 2HD LYS 63 -7.844 7.610 -5.897 458 HE2 LYS 63 1HE LYS 63 -9.347 9.012 -4.654 459 HE3 LYS 63 2HE LYS 63 -8.247 9.040 -3.258 460 HZ1 LYS 63 3HZ LYS 63 -7.683 10.210 -5.907 461 HZ2 LYS 63 1HZ LYS 63 -8.093 11.057 -4.552 462 HZ3 LYS 63 2HZ LYS 63 -6.662 10.236 -4.612 463 H MET 64 H MET 64 -5.506 3.337 -2.774 464 HA MET 64 HA MET 64 -4.782 1.504 -4.878 465 HB2 MET 64 1HB MET 64 -3.155 2.655 -3.488 466 HB3 MET 64 2HB MET 64 -3.763 1.799 -2.051 467 HG2 MET 64 1HG MET 64 -2.718 0.259 -4.415 468 HG3 MET 64 2HG MET 64 -1.585 0.972 -3.242 469 HE1 MET 64 3HE MET 64 -2.897 0.731 -0.470 470 HE2 MET 64 1HE MET 64 -2.385 -0.889 0.058 471 HE3 MET 64 2HE MET 64 -1.244 0.164 -0.815 472 H MET 65 H MET 65 -6.117 1.009 -1.618 473 HA MET 65 HA MET 65 -6.058 -1.890 -1.829 474 HB2 MET 65 1HB MET 65 -7.565 0.014 -0.038 475 HB3 MET 65 2HB MET 65 -7.602 -1.759 0.122 476 HG2 MET 65 1HG MET 65 -5.135 -0.006 0.359 477 HG3 MET 65 2HG MET 65 -6.044 -0.701 1.723 478 HE1 MET 65 3HE MET 65 -6.768 -3.584 0.966 479 HE2 MET 65 1HE MET 65 -5.327 -4.494 1.480 480 HE3 MET 65 2HE MET 65 -5.942 -3.160 2.485 481 H GLU 66 H GLU 66 -8.335 0.600 -2.753 482 HA GLU 66 HA GLU 66 -10.581 -1.172 -3.192 483 HB2 GLU 66 1HB GLU 66 -10.777 1.265 -2.982 484 HB3 GLU 66 2HB GLU 66 -9.863 1.458 -4.499 485 HG2 GLU 66 1HG GLU 66 -11.747 0.281 -5.735 486 HG3 GLU 66 2HG GLU 66 -12.505 0.106 -4.136 487 H ASN 67 H ASN 67 -7.993 0.042 -5.318 488 HA ASN 67 HA ASN 67 -9.090 -1.471 -7.598 489 HB2 ASN 67 1HB ASN 67 -6.481 0.225 -7.535 490 HB3 ASN 67 2HB ASN 67 -7.311 -0.822 -8.712 491 HD21 ASN 67 2HD2 ASN 67 -6.676 2.102 -8.624 492 HD22 ASN 67 1HD2 ASN 67 -8.188 2.890 -8.940 493 H VAL 68 H VAL 68 -6.580 -1.845 -5.184 494 HA VAL 68 HA VAL 68 -5.743 -4.418 -6.517 495 HB VAL 68 HB VAL 68 -3.960 -2.405 -5.083 496 HG11 VAL 68 1HG1 VAL 68 -2.135 -3.936 -5.743 497 HG12 VAL 68 2HG1 VAL 68 -3.311 -4.757 -4.688 498 HG13 VAL 68 3HG1 VAL 68 -3.328 -5.055 -6.443 499 HG21 VAL 68 3HG2 VAL 68 -4.568 -1.618 -7.292 500 HG22 VAL 68 1HG2 VAL 68 -2.862 -2.122 -7.247 501 HG23 VAL 68 2HG2 VAL 68 -4.082 -3.176 -8.002 502 H GLN 69 H GLN 69 -5.995 -6.134 -5.404 503 HA GLN 69 HA GLN 69 -7.110 -6.195 -2.814 504 HB2 GLN 69 1HB GLN 69 -7.037 -8.075 -4.432 505 HB3 GLN 69 2HB GLN 69 -5.299 -8.253 -4.094 506 HG2 GLN 69 1HG GLN 69 -6.039 -8.855 -1.554 507 HG3 GLN 69 2HG GLN 69 -7.590 -8.496 -2.349 508 HE21 GLN 69 2HE2 GLN 69 -7.267 -10.874 -1.040 509 HE22 GLN 69 1HE2 GLN 69 -7.170 -12.175 -2.179 Start of MODEL 16 1 H1 SER 1 1H SER 1 -16.714 0.462 4.918 2 H2 SER 1 2H SER 1 -16.421 -0.289 6.183 3 H3 SER 1 3H SER 1 -15.866 1.091 5.984 4 HA SER 1 HA SER 1 -14.520 -1.362 5.197 5 HB2 SER 1 1HB SER 1 -15.162 0.427 2.931 6 HB3 SER 1 2HB SER 1 -14.042 -0.955 2.948 7 HG SER 1 HG SER 1 -16.125 -1.508 2.173 8 H GLU 2 H GLU 2 -14.645 2.196 4.857 9 HA GLU 2 HA GLU 2 -11.806 2.543 4.499 10 HB2 GLU 2 1HB GLU 2 -13.986 4.404 5.448 11 HB3 GLU 2 2HB GLU 2 -12.302 4.903 5.158 12 HG2 GLU 2 1HG GLU 2 -12.567 4.276 2.718 13 HG3 GLU 2 2HG GLU 2 -14.194 3.719 3.170 14 H GLU 3 H GLU 3 -13.855 2.285 7.335 15 HA GLU 3 HA GLU 3 -11.848 3.163 9.230 16 HB2 GLU 3 1HB GLU 3 -14.292 1.409 9.482 17 HB3 GLU 3 2HB GLU 3 -13.263 1.884 10.855 18 HG2 GLU 3 1HG GLU 3 -13.855 4.305 10.435 19 HG3 GLU 3 2HG GLU 3 -14.739 3.715 9.009 20 H GLU 4 H GLU 4 -12.709 0.017 7.848 21 HA GLU 4 HA GLU 4 -10.732 -1.444 9.403 22 HB2 GLU 4 1HB GLU 4 -12.173 -2.038 6.817 23 HB3 GLU 4 2HB GLU 4 -11.056 -3.168 7.621 24 HG2 GLU 4 1HG GLU 4 -12.611 -3.223 9.626 25 HG3 GLU 4 2HG GLU 4 -13.582 -2.024 8.741 26 H LEU 5 H LEU 5 -10.721 0.228 6.296 27 HA LEU 5 HA LEU 5 -8.044 -0.658 5.580 28 HB2 LEU 5 1HB LEU 5 -9.806 1.568 4.811 29 HB3 LEU 5 2HB LEU 5 -8.249 1.389 3.970 30 HG LEU 5 HG LEU 5 -10.533 -0.621 3.978 31 HD11 LEU 5 1HD1 LEU 5 -10.704 -0.047 1.541 32 HD12 LEU 5 2HD1 LEU 5 -10.981 1.383 2.564 33 HD13 LEU 5 3HD1 LEU 5 -9.413 1.159 1.751 34 HD21 LEU 5 3HD2 LEU 5 -8.375 -1.725 3.907 35 HD22 LEU 5 1HD2 LEU 5 -9.178 -1.860 2.324 36 HD23 LEU 5 2HD2 LEU 5 -7.857 -0.688 2.556 37 H SER 6 H SER 6 -9.357 1.934 7.528 38 HA SER 6 HA SER 6 -6.939 3.510 7.855 39 HB2 SER 6 1HB SER 6 -9.053 4.353 8.380 40 HB3 SER 6 2HB SER 6 -9.246 3.142 9.668 41 HG SER 6 HG SER 6 -8.466 5.150 10.446 42 H GLU 7 H GLU 7 -8.365 0.754 9.660 43 HA GLU 7 HA GLU 7 -6.235 0.527 11.582 44 HB2 GLU 7 1HB GLU 7 -8.222 -1.467 10.492 45 HB3 GLU 7 2HB GLU 7 -7.080 -1.818 11.811 46 HG2 GLU 7 1HG GLU 7 -8.189 -0.075 13.239 47 HG3 GLU 7 2HG GLU 7 -9.141 0.346 11.797 48 H CYS 8 H CYS 8 -6.801 -1.105 8.463 49 HA CYS 8 HA CYS 8 -4.421 -2.743 8.453 50 HB2 CYS 8 1HB CYS 8 -6.266 -1.469 6.394 51 HB3 CYS 8 2HB CYS 8 -4.993 -2.643 5.976 52 HG CYS 8 HG CYS 8 -7.284 -3.726 5.833 53 H PHE 9 H PHE 9 -5.119 0.587 7.350 54 HA PHE 9 HA PHE 9 -2.619 1.103 6.076 55 HB2 PHE 9 1HB PHE 9 -4.568 2.600 5.835 56 HB3 PHE 9 2HB PHE 9 -4.464 3.027 7.558 57 HD1 PHE 9 1HD PHE 9 -2.663 3.214 4.325 58 HD2 PHE 9 2HD PHE 9 -3.076 4.730 8.298 59 HE1 PHE 9 1HE PHE 9 -1.139 5.079 3.770 60 HE2 PHE 9 2HE PHE 9 -1.554 6.598 7.746 61 HZ PHE 9 HZ PHE 9 -0.585 6.772 5.480 62 H ARG 10 H ARG 10 -3.628 1.661 9.453 63 HA ARG 10 HA ARG 10 -1.091 2.682 10.326 64 HB2 ARG 10 1HB ARG 10 -3.338 1.394 11.791 65 HB3 ARG 10 2HB ARG 10 -1.839 1.943 12.575 66 HG2 ARG 10 1HG ARG 10 -2.266 4.232 11.786 67 HG3 ARG 10 2HG ARG 10 -3.767 3.681 11.004 68 HD2 ARG 10 1HD ARG 10 -4.720 3.149 13.127 69 HD3 ARG 10 2HD ARG 10 -3.198 3.569 13.949 70 HE ARG 10 HE ARG 10 -4.202 5.945 12.606 71 HH11 ARG 10 1HH1 ARG 10 -5.028 3.876 15.288 72 HH12 ARG 10 2HH1 ARG 10 -5.781 5.231 16.108 73 HH21 ARG 10 1HH2 ARG 10 -5.067 7.504 13.528 74 HH22 ARG 10 2HH2 ARG 10 -5.804 7.299 15.104 75 H ILE 11 H ILE 11 -2.375 -0.609 10.091 76 HA ILE 11 HA ILE 11 -0.107 -1.847 11.430 77 HB ILE 11 HB ILE 11 -2.231 -2.933 9.530 78 HG12 ILE 11 1HG1 ILE 11 -1.858 -3.409 12.471 79 HG13 ILE 11 2HG1 ILE 11 -2.894 -2.132 11.793 80 HG21 ILE 11 1HG2 ILE 11 -1.424 -5.176 10.182 81 HG22 ILE 11 2HG2 ILE 11 -0.153 -4.258 9.343 82 HG23 ILE 11 3HG2 ILE 11 -0.103 -4.431 11.112 83 HD11 ILE 11 3HD1 ILE 11 -3.208 -5.117 11.317 84 HD12 ILE 11 1HD1 ILE 11 -4.214 -4.123 12.395 85 HD13 ILE 11 2HD1 ILE 11 -4.244 -3.840 10.638 86 H PHE 12 H PHE 12 -0.857 -1.161 8.037 87 HA PHE 12 HA PHE 12 1.335 -2.834 7.092 88 HB2 PHE 12 1HB PHE 12 -0.412 -0.764 5.692 89 HB3 PHE 12 2HB PHE 12 0.775 -1.804 4.873 90 HD1 PHE 12 1HD PHE 12 -0.132 -4.036 7.112 91 HD2 PHE 12 2HD PHE 12 -1.964 -1.767 3.990 92 HE1 PHE 12 1HE PHE 12 -1.851 -5.793 6.846 93 HE2 PHE 12 2HE PHE 12 -3.686 -3.521 3.723 94 HZ PHE 12 HZ PHE 12 -3.628 -5.535 5.151 95 H ASP 13 H ASP 13 0.929 0.584 7.824 96 HA ASP 13 HA ASP 13 3.570 1.318 6.810 97 HB2 ASP 13 1HB ASP 13 1.594 2.979 7.174 98 HB3 ASP 13 2HB ASP 13 1.910 2.597 8.885 99 H LYS 14 H LYS 14 4.886 -0.323 7.685 100 HA LYS 14 HA LYS 14 4.991 -0.792 10.548 101 HB2 LYS 14 1HB LYS 14 6.851 -1.495 8.275 102 HB3 LYS 14 2HB LYS 14 7.100 -2.002 9.963 103 HG2 LYS 14 1HG LYS 14 4.989 -3.245 9.919 104 HG3 LYS 14 2HG LYS 14 4.697 -2.712 8.247 105 HD2 LYS 14 1HD LYS 14 6.746 -3.873 7.521 106 HD3 LYS 14 2HD LYS 14 7.032 -4.410 9.194 107 HE2 LYS 14 1HE LYS 14 4.939 -5.666 9.175 108 HE3 LYS 14 2HE LYS 14 4.588 -5.089 7.530 109 HZ1 LYS 14 3HZ LYS 14 6.875 -6.786 8.298 110 HZ2 LYS 14 1HZ LYS 14 5.517 -7.302 7.516 111 HZ3 LYS 14 2HZ LYS 14 6.549 -6.251 6.773 112 H ASP 15 H ASP 15 6.774 1.266 8.310 113 HA ASP 15 HA ASP 15 8.833 2.010 10.208 114 HB2 ASP 15 1HB ASP 15 7.845 3.392 7.642 115 HB3 ASP 15 2HB ASP 15 9.111 3.914 8.782 116 H GLY 16 H GLY 16 5.613 3.231 9.479 117 HA2 GLY 16 1HA GLY 16 4.272 4.538 10.891 118 HA3 GLY 16 2HA GLY 16 5.660 4.769 11.979 119 H ASN 17 H ASN 17 5.654 5.364 8.488 120 HA ASN 17 HA ASN 17 6.730 8.065 9.022 121 HB2 ASN 17 1HB ASN 17 6.499 6.627 6.271 122 HB3 ASN 17 2HB ASN 17 6.983 8.242 6.842 123 HD21 ASN 17 2HD2 ASN 17 8.423 5.972 5.501 124 HD22 ASN 17 1HD2 ASN 17 9.828 5.710 6.480 125 H GLY 18 H GLY 18 3.701 6.670 8.398 126 HA2 GLY 18 1HA GLY 18 1.698 7.991 8.502 127 HA3 GLY 18 2HA GLY 18 2.598 9.380 7.849 128 H PHE 19 H PHE 19 3.129 6.272 6.412 129 HA PHE 19 HA PHE 19 1.087 6.325 4.393 130 HB2 PHE 19 1HB PHE 19 2.443 7.086 2.471 131 HB3 PHE 19 2HB PHE 19 2.257 8.392 3.663 132 HD1 PHE 19 1HD PHE 19 4.582 5.893 2.269 133 HD2 PHE 19 2HD PHE 19 4.109 9.325 4.770 134 HE1 PHE 19 1HE PHE 19 7.035 6.187 2.328 135 HE2 PHE 19 2HE PHE 19 6.562 9.624 4.828 136 HZ PHE 19 HZ PHE 19 8.026 8.052 3.609 137 H ILE 20 H ILE 20 1.532 4.854 2.594 138 HA ILE 20 HA ILE 20 3.059 2.515 3.619 139 HB ILE 20 HB ILE 20 1.280 2.805 1.154 140 HG12 ILE 20 1HG1 ILE 20 -0.018 3.180 3.103 141 HG13 ILE 20 2HG1 ILE 20 -0.388 1.581 2.417 142 HG21 ILE 20 1HG2 ILE 20 1.292 0.334 1.177 143 HG22 ILE 20 2HG2 ILE 20 2.939 0.979 0.993 144 HG23 ILE 20 3HG2 ILE 20 2.401 0.350 2.568 145 HD11 ILE 20 3HD1 ILE 20 1.377 2.116 4.832 146 HD12 ILE 20 1HD1 ILE 20 -0.288 1.492 4.877 147 HD13 ILE 20 2HD1 ILE 20 1.009 0.517 4.146 148 H ASP 21 H ASP 21 5.026 2.130 3.166 149 HA ASP 21 HA ASP 21 6.351 3.578 0.974 150 HB2 ASP 21 1HB ASP 21 7.314 2.792 3.418 151 HB3 ASP 21 2HB ASP 21 7.558 1.352 2.399 152 H ARG 22 H ARG 22 7.918 2.348 -0.418 153 HA ARG 22 HA ARG 22 6.395 0.620 -2.138 154 HB2 ARG 22 1HB ARG 22 8.134 2.044 -2.954 155 HB3 ARG 22 2HB ARG 22 9.343 1.084 -2.070 156 HG2 ARG 22 1HG ARG 22 8.759 -0.889 -3.421 157 HG3 ARG 22 2HG ARG 22 7.562 0.081 -4.313 158 HD2 ARG 22 1HD ARG 22 9.547 -0.199 -5.604 159 HD3 ARG 22 2HD ARG 22 9.354 1.506 -5.130 160 HE ARG 22 HE ARG 22 11.273 0.103 -3.376 161 HH11 ARG 22 1HH1 ARG 22 10.956 1.679 -6.471 162 HH12 ARG 22 2HH1 ARG 22 12.662 2.079 -6.448 163 HH21 ARG 22 1HH2 ARG 22 13.230 0.547 -3.339 164 HH22 ARG 22 2HH2 ARG 22 13.960 1.434 -4.663 165 H GLU 23 H GLU 23 9.068 -0.079 0.122 166 HA GLU 23 HA GLU 23 8.985 -2.933 -0.369 167 HB2 GLU 23 1HB GLU 23 10.101 -1.263 1.884 168 HB3 GLU 23 2HB GLU 23 10.282 -3.031 1.771 169 HG2 GLU 23 1HG GLU 23 11.581 -2.738 -0.379 170 HG3 GLU 23 2HG GLU 23 11.221 -1.003 -0.215 171 H GLU 24 H GLU 24 7.315 -0.784 1.851 172 HA GLU 24 HA GLU 24 6.231 -2.880 3.528 173 HB2 GLU 24 1HB GLU 24 5.376 -0.049 2.928 174 HB3 GLU 24 2HB GLU 24 4.522 -1.112 4.073 175 HG2 GLU 24 1HG GLU 24 6.594 -1.222 5.502 176 HG3 GLU 24 2HG GLU 24 7.394 -0.296 4.212 177 H PHE 25 H PHE 25 5.152 -1.327 0.537 178 HA PHE 25 HA PHE 25 2.623 -2.701 0.381 179 HB2 PHE 25 1HB PHE 25 3.157 -0.743 -1.037 180 HB3 PHE 25 2HB PHE 25 4.432 -1.677 -1.850 181 HD1 PHE 25 1HD PHE 25 0.774 -1.742 -1.139 182 HD2 PHE 25 2HD PHE 25 3.962 -2.812 -3.775 183 HE1 PHE 25 1HE PHE 25 -0.872 -2.537 -2.804 184 HE2 PHE 25 2HE PHE 25 2.319 -3.606 -5.444 185 HZ PHE 25 HZ PHE 25 -0.099 -3.469 -4.956 186 H GLY 26 H GLY 26 5.897 -3.558 -0.696 187 HA2 GLY 26 1HA GLY 26 5.357 -5.998 -1.963 188 HA3 GLY 26 2HA GLY 26 6.809 -5.664 -0.989 189 H ASP 27 H ASP 27 5.580 -5.269 1.517 190 HA ASP 27 HA ASP 27 5.094 -8.000 2.375 191 HB2 ASP 27 1HB ASP 27 4.792 -5.324 3.864 192 HB3 ASP 27 2HB ASP 27 4.463 -6.975 4.441 193 H ILE 28 H ILE 28 3.015 -5.172 1.830 194 HA ILE 28 HA ILE 28 0.569 -6.305 2.762 195 HB ILE 28 HB ILE 28 1.133 -4.328 0.511 196 HG12 ILE 28 1HG1 ILE 28 0.052 -3.900 3.283 197 HG13 ILE 28 2HG1 ILE 28 1.748 -3.671 2.796 198 HG21 ILE 28 1HG2 ILE 28 -1.276 -3.786 0.613 199 HG22 ILE 28 2HG2 ILE 28 -1.021 -5.476 0.124 200 HG23 ILE 28 3HG2 ILE 28 -1.522 -5.098 1.789 201 HD11 ILE 28 3HD1 ILE 28 -0.640 -2.152 1.691 202 HD12 ILE 28 1HD1 ILE 28 0.543 -1.523 2.861 203 HD13 ILE 28 2HD1 ILE 28 1.055 -1.923 1.204 204 H ILE 29 H ILE 29 2.177 -6.654 -0.367 205 HA ILE 29 HA ILE 29 0.086 -8.117 -1.666 206 HB ILE 29 HB ILE 29 3.120 -8.261 -1.957 207 HG12 ILE 29 1HG1 ILE 29 1.080 -7.003 -3.767 208 HG13 ILE 29 2HG1 ILE 29 1.939 -6.128 -2.478 209 HG21 ILE 29 1HG2 ILE 29 2.679 -9.425 -4.093 210 HG22 ILE 29 2HG2 ILE 29 2.070 -10.367 -2.713 211 HG23 ILE 29 3HG2 ILE 29 0.938 -9.439 -3.726 212 HD11 ILE 29 3HD1 ILE 29 3.233 -7.523 -4.847 213 HD12 ILE 29 1HD1 ILE 29 3.014 -5.768 -4.665 214 HD13 ILE 29 2HD1 ILE 29 4.092 -6.650 -3.557 215 H ARG 30 H ARG 30 2.700 -9.247 0.445 216 HA ARG 30 HA ARG 30 1.888 -12.031 0.243 217 HB2 ARG 30 1HB ARG 30 3.637 -10.584 2.173 218 HB3 ARG 30 2HB ARG 30 3.260 -12.321 2.270 219 HG2 ARG 30 1HG ARG 30 4.251 -12.668 0.054 220 HG3 ARG 30 2HG ARG 30 4.609 -10.929 -0.065 221 HD2 ARG 30 1HD ARG 30 6.132 -11.096 1.785 222 HD3 ARG 30 2HD ARG 30 5.744 -12.823 1.968 223 HE ARG 30 HE ARG 30 6.868 -12.454 -0.673 224 HH11 ARG 30 1HH1 ARG 30 7.892 -12.200 2.649 225 HH12 ARG 30 2HH1 ARG 30 9.527 -12.631 2.186 226 HH21 ARG 30 1HH2 ARG 30 8.737 -12.941 -1.222 227 HH22 ARG 30 2HH2 ARG 30 10.010 -13.053 -0.022 228 H LEU 31 H LEU 31 0.946 -9.318 2.248 229 HA LEU 31 HA LEU 31 -0.457 -10.972 4.204 230 HB2 LEU 31 1HB LEU 31 -0.515 -8.127 3.449 231 HB3 LEU 31 2HB LEU 31 -1.443 -8.671 4.867 232 HG LEU 31 HG LEU 31 1.581 -8.782 4.534 233 HD11 LEU 31 1HD1 LEU 31 1.584 -7.095 6.392 234 HD12 LEU 31 2HD1 LEU 31 0.707 -6.487 4.967 235 HD13 LEU 31 3HD1 LEU 31 -0.195 -7.096 6.376 236 HD21 LEU 31 3HD2 LEU 31 0.760 -10.675 5.808 237 HD22 LEU 31 1HD2 LEU 31 1.610 -9.541 6.885 238 HD23 LEU 31 2HD2 LEU 31 -0.170 -9.593 6.872 239 H THR 32 H THR 32 -1.215 -9.572 1.114 240 HA THR 32 HA THR 32 -4.100 -10.223 1.476 241 HB THR 32 HB THR 32 -4.379 -9.212 -0.767 242 HG1 THR 32 1HG THR 32 -2.508 -8.200 -1.706 243 HG21 THR 32 1HG2 THR 32 -3.794 -6.889 -0.165 244 HG22 THR 32 2HG2 THR 32 -4.486 -7.757 1.227 245 HG23 THR 32 3HG2 THR 32 -2.729 -7.492 1.127 246 H GLY 33 H GLY 33 -1.202 -11.545 0.173 247 HA2 GLY 33 1HA GLY 33 -0.925 -13.802 -0.376 248 HA3 GLY 33 2HA GLY 33 -2.692 -14.014 -0.344 249 H GLU 34 H GLU 34 -0.976 -11.533 -2.188 250 HA GLU 34 HA GLU 34 -2.071 -12.741 -4.694 251 HB2 GLU 34 1HB GLU 34 -0.998 -9.984 -4.081 252 HB3 GLU 34 2HB GLU 34 -1.572 -10.534 -5.674 253 HG2 GLU 34 1HG GLU 34 -3.299 -10.179 -3.152 254 HG3 GLU 34 2HG GLU 34 -3.222 -9.222 -4.649 255 H GLN 35 H GLN 35 -0.852 -12.972 -6.549 256 HA GLN 35 HA GLN 35 2.047 -13.411 -5.979 257 HB2 GLN 35 1HB GLN 35 0.268 -14.373 -8.231 258 HB3 GLN 35 2HB GLN 35 2.000 -14.742 -8.050 259 HG2 GLN 35 1HG GLN 35 -0.221 -15.860 -6.125 260 HG3 GLN 35 2HG GLN 35 0.734 -16.469 -7.496 261 HE21 GLN 35 2HE2 GLN 35 0.514 -16.437 -4.208 262 HE22 GLN 35 1HE2 GLN 35 2.172 -16.710 -3.792 263 H LEU 36 H LEU 36 2.225 -11.011 -6.056 264 HA LEU 36 HA LEU 36 2.368 -10.031 -8.879 265 HB2 LEU 36 1HB LEU 36 2.439 -8.675 -6.262 266 HB3 LEU 36 2HB LEU 36 2.494 -7.738 -7.774 267 HG LEU 36 HG LEU 36 0.175 -9.410 -6.732 268 HD11 LEU 36 1HD1 LEU 36 -1.018 -7.204 -6.680 269 HD12 LEU 36 2HD1 LEU 36 0.426 -7.181 -5.642 270 HD13 LEU 36 3HD1 LEU 36 0.469 -6.404 -7.243 271 HD21 LEU 36 3HD2 LEU 36 0.355 -9.634 -9.139 272 HD22 LEU 36 1HD2 LEU 36 -1.057 -8.632 -8.727 273 HD23 LEU 36 2HD2 LEU 36 0.434 -7.865 -9.327 274 H THR 37 H THR 37 4.155 -8.766 -9.554 275 HA THR 37 HA THR 37 6.647 -10.072 -8.616 276 HB THR 37 HB THR 37 7.656 -9.218 -10.646 277 HG1 THR 37 1HG THR 37 6.125 -7.953 -12.069 278 HG21 THR 37 1HG2 THR 37 6.189 -10.218 -12.363 279 HG22 THR 37 2HG2 THR 37 6.235 -11.225 -10.895 280 HG23 THR 37 3HG2 THR 37 4.828 -10.186 -11.218 281 H ASP 38 H ASP 38 8.663 -8.746 -8.636 282 HA ASP 38 HA ASP 38 8.469 -6.557 -6.768 283 HB2 ASP 38 1HB ASP 38 10.796 -7.466 -8.568 284 HB3 ASP 38 2HB ASP 38 10.731 -6.116 -7.406 285 H GLU 39 H GLU 39 8.548 -6.727 -10.281 286 HA GLU 39 HA GLU 39 8.800 -3.868 -10.691 287 HB2 GLU 39 1HB GLU 39 7.660 -6.100 -12.374 288 HB3 GLU 39 2HB GLU 39 7.785 -4.408 -12.916 289 HG2 GLU 39 1HG GLU 39 10.303 -4.551 -12.701 290 HG3 GLU 39 2HG GLU 39 10.030 -6.187 -12.058 291 H ASP 40 H ASP 40 6.060 -6.052 -10.198 292 HA ASP 40 HA ASP 40 4.005 -4.079 -10.584 293 HB2 ASP 40 1HB ASP 40 4.015 -6.612 -8.834 294 HB3 ASP 40 2HB ASP 40 2.703 -5.449 -9.145 295 H VAL 41 H VAL 41 5.973 -4.960 -7.776 296 HA VAL 41 HA VAL 41 4.617 -3.348 -5.825 297 HB VAL 41 HB VAL 41 7.553 -4.112 -6.095 298 HG11 VAL 41 1HG1 VAL 41 7.739 -3.459 -3.718 299 HG12 VAL 41 2HG1 VAL 41 7.289 -2.068 -4.731 300 HG13 VAL 41 3HG1 VAL 41 6.055 -2.885 -3.743 301 HG21 VAL 41 3HG2 VAL 41 6.075 -6.011 -5.817 302 HG22 VAL 41 1HG2 VAL 41 7.036 -5.739 -4.346 303 HG23 VAL 41 2HG2 VAL 41 5.327 -5.246 -4.394 304 H ASP 42 H ASP 42 7.404 -2.497 -7.886 305 HA ASP 42 HA ASP 42 7.452 0.225 -6.879 306 HB2 ASP 42 1HB ASP 42 9.472 -1.028 -7.936 307 HB3 ASP 42 2HB ASP 42 8.492 -0.866 -9.414 308 H GLU 43 H GLU 43 6.074 -1.325 -9.752 309 HA GLU 43 HA GLU 43 5.340 1.115 -11.084 310 HB2 GLU 43 1HB GLU 43 5.472 -1.083 -12.172 311 HB3 GLU 43 2HB GLU 43 4.075 -1.627 -11.212 312 HG2 GLU 43 1HG GLU 43 2.647 0.125 -12.377 313 HG3 GLU 43 2HG GLU 43 4.147 0.599 -13.208 314 H ILE 44 H ILE 44 3.446 -1.073 -8.992 315 HA ILE 44 HA ILE 44 1.083 0.603 -9.014 316 HB ILE 44 HB ILE 44 2.061 -1.527 -7.061 317 HG12 ILE 44 1HG1 ILE 44 -0.157 -1.644 -9.082 318 HG13 ILE 44 2HG1 ILE 44 1.509 -2.189 -9.392 319 HG21 ILE 44 1HG2 ILE 44 -0.238 -1.495 -6.154 320 HG22 ILE 44 2HG2 ILE 44 0.562 0.078 -5.925 321 HG23 ILE 44 3HG2 ILE 44 -0.640 -0.129 -7.221 322 HD11 ILE 44 3HD1 ILE 44 -0.355 -3.287 -7.256 323 HD12 ILE 44 1HD1 ILE 44 0.049 -4.082 -8.794 324 HD13 ILE 44 2HD1 ILE 44 1.312 -3.831 -7.565 325 H PHE 45 H PHE 45 3.870 0.419 -6.840 326 HA PHE 45 HA PHE 45 2.987 2.308 -4.917 327 HB2 PHE 45 1HB PHE 45 5.051 1.022 -4.606 328 HB3 PHE 45 2HB PHE 45 5.792 1.820 -6.010 329 HD1 PHE 45 1HD PHE 45 4.508 2.376 -2.584 330 HD2 PHE 45 2HD PHE 45 6.871 3.871 -5.813 331 HE1 PHE 45 1HE PHE 45 5.411 4.138 -1.105 332 HE2 PHE 45 2HE PHE 45 7.778 5.634 -4.336 333 HZ PHE 45 HZ PHE 45 7.046 5.768 -1.981 334 H GLY 46 H GLY 46 4.790 2.899 -7.946 335 HA2 GLY 46 1HA GLY 46 4.859 5.744 -7.612 336 HA3 GLY 46 2HA GLY 46 5.114 4.857 -9.133 337 H ASP 47 H ASP 47 2.574 3.533 -9.187 338 HA ASP 47 HA ASP 47 1.005 5.625 -10.448 339 HB2 ASP 47 1HB ASP 47 0.353 2.681 -9.835 340 HB3 ASP 47 2HB ASP 47 -0.682 3.925 -10.578 341 H SER 48 H SER 48 0.905 4.001 -7.325 342 HA SER 48 HA SER 48 -1.719 4.868 -6.463 343 HB2 SER 48 1HB SER 48 0.689 4.091 -4.936 344 HB3 SER 48 2HB SER 48 -0.918 4.442 -4.261 345 HG SER 48 HG SER 48 -1.731 2.771 -5.608 346 H ASP 49 H ASP 49 1.562 6.273 -6.172 347 HA ASP 49 HA ASP 49 0.661 8.549 -4.592 348 HB2 ASP 49 1HB ASP 49 3.088 7.601 -4.614 349 HB3 ASP 49 2HB ASP 49 3.064 8.245 -6.274 350 H THR 50 H THR 50 -0.536 10.124 -5.273 351 HA THR 50 HA THR 50 -0.557 10.773 -8.181 352 HB THR 50 HB THR 50 -2.578 12.069 -7.681 353 HG1 THR 50 1HG THR 50 -2.067 11.290 -4.976 354 HG21 THR 50 1HG2 THR 50 -4.051 10.231 -6.933 355 HG22 THR 50 2HG2 THR 50 -2.832 9.645 -8.090 356 HG23 THR 50 3HG2 THR 50 -2.631 9.330 -6.351 357 H ASP 51 H ASP 51 0.940 11.807 -5.358 358 HA ASP 51 HA ASP 51 1.140 14.626 -6.331 359 HB2 ASP 51 1HB ASP 51 2.041 13.435 -3.638 360 HB3 ASP 51 2HB ASP 51 2.151 15.087 -4.292 361 H LYS 52 H LYS 52 2.797 11.674 -6.418 362 HA LYS 52 HA LYS 52 4.933 11.112 -7.137 363 HB2 LYS 52 1HB LYS 52 4.893 13.949 -8.176 364 HB3 LYS 52 2HB LYS 52 6.073 12.692 -8.616 365 HG2 LYS 52 1HG LYS 52 4.262 11.345 -9.609 366 HG3 LYS 52 2HG LYS 52 3.089 12.612 -9.180 367 HD2 LYS 52 1HD LYS 52 4.328 14.218 -10.598 368 HD3 LYS 52 2HD LYS 52 5.459 12.922 -11.055 369 HE2 LYS 52 1HE LYS 52 3.645 11.654 -12.070 370 HE3 LYS 52 2HE LYS 52 2.466 12.878 -11.546 371 HZ1 LYS 52 3HZ LYS 52 4.674 13.328 -13.449 372 HZ2 LYS 52 1HZ LYS 52 3.083 13.164 -13.850 373 HZ3 LYS 52 2HZ LYS 52 3.582 14.465 -12.965 374 H ASN 53 H ASN 53 4.783 11.730 -4.504 375 HA ASN 53 HA ASN 53 7.299 13.299 -4.032 376 HB2 ASN 53 1HB ASN 53 5.059 12.847 -1.921 377 HB3 ASN 53 2HB ASN 53 6.721 13.484 -1.942 378 HD21 ASN 53 2HD2 ASN 53 3.858 14.565 -1.521 379 HD22 ASN 53 1HD2 ASN 53 3.853 16.029 -2.447 380 H GLY 54 H GLY 54 6.076 10.199 -4.234 381 HA2 GLY 54 1HA GLY 54 7.296 8.218 -3.852 382 HA3 GLY 54 2HA GLY 54 8.439 9.126 -2.835 383 H ARG 55 H ARG 55 4.882 8.962 -2.646 384 HA ARG 55 HA ARG 55 5.022 7.380 -0.148 385 HB2 ARG 55 1HB ARG 55 3.913 8.901 1.220 386 HB3 ARG 55 2HB ARG 55 5.428 9.615 0.621 387 HG2 ARG 55 1HG ARG 55 4.141 10.936 -1.018 388 HG3 ARG 55 2HG ARG 55 2.631 10.240 -0.380 389 HD2 ARG 55 1HD ARG 55 3.048 11.274 1.756 390 HD3 ARG 55 2HD ARG 55 4.572 11.954 1.138 391 HE ARG 55 HE ARG 55 3.193 13.625 -0.101 392 HH11 ARG 55 1HH1 ARG 55 1.186 11.291 1.536 393 HH12 ARG 55 2HH1 ARG 55 -0.205 12.339 1.337 394 HH21 ARG 55 1HH2 ARG 55 1.609 14.833 -0.343 395 HH22 ARG 55 2HH2 ARG 55 0.035 14.359 0.266 396 H ILE 56 H ILE 56 3.027 6.575 0.571 397 HA ILE 56 HA ILE 56 0.733 6.989 -1.330 398 HB ILE 56 HB ILE 56 1.492 4.468 0.218 399 HG12 ILE 56 1HG1 ILE 56 1.360 4.967 -2.744 400 HG13 ILE 56 2HG1 ILE 56 2.845 4.897 -1.768 401 HG21 ILE 56 1HG2 ILE 56 -0.479 3.468 -0.888 402 HG22 ILE 56 2HG2 ILE 56 -0.951 4.836 0.145 403 HG23 ILE 56 3HG2 ILE 56 -0.868 5.041 -1.620 404 HD11 ILE 56 3HD1 ILE 56 0.866 2.625 -2.160 405 HD12 ILE 56 1HD1 ILE 56 2.455 2.768 -2.946 406 HD13 ILE 56 2HD1 ILE 56 2.351 2.555 -1.182 407 H ASP 57 H ASP 57 -0.639 8.287 -0.479 408 HA ASP 57 HA ASP 57 -0.821 8.593 2.426 409 HB2 ASP 57 1HB ASP 57 -1.306 10.344 0.315 410 HB3 ASP 57 2HB ASP 57 -2.886 9.615 0.696 411 H PHE 58 H PHE 58 -3.187 8.876 3.277 412 HA PHE 58 HA PHE 58 -4.290 6.224 3.446 413 HB2 PHE 58 1HB PHE 58 -4.581 7.795 5.289 414 HB3 PHE 58 2HB PHE 58 -5.444 8.934 4.231 415 HD1 PHE 58 1HD PHE 58 -5.633 5.497 5.640 416 HD2 PHE 58 2HD PHE 58 -7.732 8.861 4.047 417 HE1 PHE 58 1HE PHE 58 -7.783 4.450 6.267 418 HE2 PHE 58 2HE PHE 58 -9.884 7.818 4.675 419 HZ PHE 58 HZ PHE 58 -9.909 5.611 5.784 420 H ASP 59 H ASP 59 -5.511 9.161 1.814 421 HA ASP 59 HA ASP 59 -7.783 7.893 0.624 422 HB2 ASP 59 1HB ASP 59 -6.171 10.349 -0.296 423 HB3 ASP 59 2HB ASP 59 -7.628 9.623 -1.018 424 H GLU 60 H GLU 60 -4.439 8.251 -0.511 425 HA GLU 60 HA GLU 60 -4.927 6.911 -3.041 426 HB2 GLU 60 1HB GLU 60 -2.419 7.370 -1.422 427 HB3 GLU 60 2HB GLU 60 -2.454 6.645 -3.047 428 HG2 GLU 60 1HG GLU 60 -3.230 8.775 -4.034 429 HG3 GLU 60 2HG GLU 60 -3.557 9.333 -2.378 430 H PHE 61 H PHE 61 -4.032 5.840 0.197 431 HA PHE 61 HA PHE 61 -3.465 3.107 -0.494 432 HB2 PHE 61 1HB PHE 61 -2.840 3.983 1.697 433 HB3 PHE 61 2HB PHE 61 -4.538 4.344 2.078 434 HD1 PHE 61 1HD PHE 61 -2.156 1.587 1.395 435 HD2 PHE 61 2HD PHE 61 -5.919 2.756 3.047 436 HE1 PHE 61 1HE PHE 61 -2.402 -0.651 2.415 437 HE2 PHE 61 2HE PHE 61 -6.167 0.519 4.071 438 HZ PHE 61 HZ PHE 61 -4.407 -1.185 3.754 439 H LEU 62 H LEU 62 -6.488 4.753 0.409 440 HA LEU 62 HA LEU 62 -8.161 2.448 0.367 441 HB2 LEU 62 1HB LEU 62 -8.362 5.303 0.120 442 HB3 LEU 62 2HB LEU 62 -9.803 4.502 -0.551 443 HG LEU 62 HG LEU 62 -10.372 3.542 1.549 444 HD11 LEU 62 1HD1 LEU 62 -8.894 3.754 3.566 445 HD12 LEU 62 2HD1 LEU 62 -8.069 2.892 2.247 446 HD13 LEU 62 3HD1 LEU 62 -7.684 4.599 2.570 447 HD21 LEU 62 3HD2 LEU 62 -10.983 5.879 1.339 448 HD22 LEU 62 1HD2 LEU 62 -10.593 5.504 3.034 449 HD23 LEU 62 2HD2 LEU 62 -9.419 6.381 2.023 450 H LYS 63 H LYS 63 -7.221 4.655 -2.261 451 HA LYS 63 HA LYS 63 -8.779 3.252 -4.266 452 HB2 LYS 63 1HB LYS 63 -6.419 5.128 -4.449 453 HB3 LYS 63 2HB LYS 63 -7.309 4.492 -5.853 454 HG2 LYS 63 1HG LYS 63 -9.353 5.595 -5.087 455 HG3 LYS 63 2HG LYS 63 -8.510 6.186 -3.636 456 HD2 LYS 63 1HD LYS 63 -6.944 7.447 -5.094 457 HD3 LYS 63 2HD LYS 63 -7.865 6.904 -6.517 458 HE2 LYS 63 1HE LYS 63 -9.865 8.030 -5.682 459 HE3 LYS 63 2HE LYS 63 -8.992 8.527 -4.214 460 HZ1 LYS 63 3HZ LYS 63 -8.335 9.365 -6.965 461 HZ2 LYS 63 1HZ LYS 63 -9.089 10.298 -5.833 462 HZ3 LYS 63 2HZ LYS 63 -7.525 9.826 -5.604 463 H MET 64 H MET 64 -5.488 2.947 -3.043 464 HA MET 64 HA MET 64 -4.538 1.194 -5.125 465 HB2 MET 64 1HB MET 64 -3.077 2.418 -3.601 466 HB3 MET 64 2HB MET 64 -3.706 1.467 -2.234 467 HG2 MET 64 1HG MET 64 -2.797 -0.584 -3.260 468 HG3 MET 64 2HG MET 64 -2.142 0.388 -4.600 469 HE1 MET 64 3HE MET 64 -1.758 -0.788 -0.925 470 HE2 MET 64 1HE MET 64 -0.613 0.387 -0.233 471 HE3 MET 64 2HE MET 64 -2.267 0.897 -0.652 472 H MET 65 H MET 65 -5.996 0.556 -1.938 473 HA MET 65 HA MET 65 -5.687 -2.310 -2.128 474 HB2 MET 65 1HB MET 65 -7.522 -0.553 -0.503 475 HB3 MET 65 2HB MET 65 -7.407 -2.320 -0.323 476 HG2 MET 65 1HG MET 65 -5.189 -0.305 0.151 477 HG3 MET 65 2HG MET 65 -6.100 -1.185 1.402 478 HE1 MET 65 3HE MET 65 -6.365 -4.094 0.367 479 HE2 MET 65 1HE MET 65 -4.880 -4.850 0.993 480 HE3 MET 65 2HE MET 65 -5.780 -3.690 2.000 481 H GLU 66 H GLU 66 -8.170 -0.068 -3.202 482 HA GLU 66 HA GLU 66 -10.123 -2.065 -3.918 483 HB2 GLU 66 1HB GLU 66 -9.526 0.715 -4.921 484 HB3 GLU 66 2HB GLU 66 -10.855 -0.284 -5.560 485 HG2 GLU 66 1HG GLU 66 -11.904 -0.320 -3.258 486 HG3 GLU 66 2HG GLU 66 -10.461 0.568 -2.721 487 H ASN 67 H ASN 67 -7.117 -1.083 -5.335 488 HA ASN 67 HA ASN 67 -7.764 -2.438 -7.900 489 HB2 ASN 67 1HB ASN 67 -5.125 -0.964 -7.156 490 HB3 ASN 67 2HB ASN 67 -5.706 -1.961 -8.513 491 HD21 ASN 67 2HD2 ASN 67 -4.925 0.964 -8.079 492 HD22 ASN 67 1HD2 ASN 67 -6.210 1.844 -8.837 493 H VAL 68 H VAL 68 -6.847 -3.395 -4.878 494 HA VAL 68 HA VAL 68 -5.076 -5.607 -5.817 495 HB VAL 68 HB VAL 68 -6.163 -4.921 -3.053 496 HG11 VAL 68 1HG1 VAL 68 -4.519 -6.587 -2.259 497 HG12 VAL 68 2HG1 VAL 68 -5.716 -7.335 -3.343 498 HG13 VAL 68 3HG1 VAL 68 -4.083 -6.960 -3.943 499 HG21 VAL 68 3HG2 VAL 68 -4.602 -3.246 -3.846 500 HG22 VAL 68 1HG2 VAL 68 -3.876 -4.225 -2.551 501 HG23 VAL 68 2HG2 VAL 68 -3.417 -4.512 -4.246 502 H GLN 69 H GLN 69 -5.713 -7.455 -6.471 503 HA GLN 69 HA GLN 69 -8.485 -8.124 -6.692 504 HB2 GLN 69 1HB GLN 69 -6.662 -9.005 -8.121 505 HB3 GLN 69 2HB GLN 69 -6.073 -9.950 -6.732 506 HG2 GLN 69 1HG GLN 69 -8.405 -11.293 -6.847 507 HG3 GLN 69 2HG GLN 69 -8.632 -10.029 -8.076 508 HE21 GLN 69 2HE2 GLN 69 -9.018 -12.691 -8.694 509 HE22 GLN 69 1HE2 GLN 69 -7.761 -13.231 -9.756 Start of MODEL 17 1 H1 SER 1 1H SER 1 -17.049 1.983 5.235 2 H2 SER 1 2H SER 1 -16.995 1.135 6.471 3 H3 SER 1 3H SER 1 -16.244 2.432 6.419 4 HA SER 1 HA SER 1 -15.160 -0.140 5.607 5 HB2 SER 1 1HB SER 1 -15.307 1.837 3.413 6 HB3 SER 1 2HB SER 1 -14.399 0.309 3.449 7 HG SER 1 HG SER 1 -16.443 0.103 2.437 8 H GLU 2 H GLU 2 -14.779 3.414 5.510 9 HA GLU 2 HA GLU 2 -11.908 3.404 5.370 10 HB2 GLU 2 1HB GLU 2 -13.892 5.456 6.355 11 HB3 GLU 2 2HB GLU 2 -12.141 5.749 6.216 12 HG2 GLU 2 1HG GLU 2 -12.304 5.372 3.717 13 HG3 GLU 2 2HG GLU 2 -14.015 4.991 4.013 14 H GLU 3 H GLU 3 -14.149 3.128 8.043 15 HA GLU 3 HA GLU 3 -12.266 3.660 10.154 16 HB2 GLU 3 1HB GLU 3 -14.762 1.969 10.017 17 HB3 GLU 3 2HB GLU 3 -13.831 2.245 11.508 18 HG2 GLU 3 1HG GLU 3 -14.330 4.715 11.342 19 HG3 GLU 3 2HG GLU 3 -15.109 4.330 9.790 20 H GLU 4 H GLU 4 -13.088 0.718 8.359 21 HA GLU 4 HA GLU 4 -11.220 -0.922 9.913 22 HB2 GLU 4 1HB GLU 4 -12.663 -1.356 7.295 23 HB3 GLU 4 2HB GLU 4 -11.619 -2.562 8.084 24 HG2 GLU 4 1HG GLU 4 -13.211 -2.601 10.058 25 HG3 GLU 4 2HG GLU 4 -14.104 -1.327 9.196 26 H LEU 5 H LEU 5 -11.118 0.975 6.958 27 HA LEU 5 HA LEU 5 -8.575 -0.127 6.065 28 HB2 LEU 5 1HB LEU 5 -10.120 2.312 5.499 29 HB3 LEU 5 2HB LEU 5 -8.643 1.996 4.562 30 HG LEU 5 HG LEU 5 -11.165 0.295 4.606 31 HD11 LEU 5 1HD1 LEU 5 -11.340 0.974 2.197 32 HD12 LEU 5 2HD1 LEU 5 -11.380 2.391 3.273 33 HD13 LEU 5 3HD1 LEU 5 -9.888 1.983 2.392 34 HD21 LEU 5 3HD2 LEU 5 -9.184 -1.091 4.415 35 HD22 LEU 5 1HD2 LEU 5 -10.053 -1.058 2.863 36 HD23 LEU 5 2HD2 LEU 5 -8.576 -0.088 3.078 37 H SER 6 H SER 6 -9.546 2.419 8.243 38 HA SER 6 HA SER 6 -6.935 3.719 8.498 39 HB2 SER 6 1HB SER 6 -7.769 4.774 10.332 40 HB3 SER 6 2HB SER 6 -9.006 4.763 9.055 41 HG SER 6 HG SER 6 -9.860 4.268 11.121 42 H GLU 7 H GLU 7 -8.563 0.918 9.970 43 HA GLU 7 HA GLU 7 -6.458 0.415 11.924 44 HB2 GLU 7 1HB GLU 7 -8.636 -1.306 10.735 45 HB3 GLU 7 2HB GLU 7 -7.503 -1.858 11.992 46 HG2 GLU 7 1HG GLU 7 -8.423 -0.129 13.573 47 HG3 GLU 7 2HG GLU 7 -9.381 0.458 12.195 48 H CYS 8 H CYS 8 -7.170 -0.750 8.645 49 HA CYS 8 HA CYS 8 -4.994 -2.630 8.387 50 HB2 CYS 8 1HB CYS 8 -6.597 -0.820 6.532 51 HB3 CYS 8 2HB CYS 8 -5.483 -2.087 5.960 52 HG CYS 8 HG CYS 8 -7.896 -2.803 5.624 53 H PHE 9 H PHE 9 -5.285 0.867 7.640 54 HA PHE 9 HA PHE 9 -2.708 1.241 6.515 55 HB2 PHE 9 1HB PHE 9 -4.520 2.954 6.459 56 HB3 PHE 9 2HB PHE 9 -4.310 3.210 8.206 57 HD1 PHE 9 1HD PHE 9 -2.587 3.453 4.932 58 HD2 PHE 9 2HD PHE 9 -2.716 4.675 9.023 59 HE1 PHE 9 1HE PHE 9 -0.864 5.165 4.472 60 HE2 PHE 9 2HE PHE 9 -0.994 6.390 8.567 61 HZ PHE 9 HZ PHE 9 -0.067 6.633 6.291 62 H ARG 10 H ARG 10 -3.736 1.415 9.919 63 HA ARG 10 HA ARG 10 -1.150 2.134 10.949 64 HB2 ARG 10 1HB ARG 10 -3.495 0.808 12.220 65 HB3 ARG 10 2HB ARG 10 -1.983 1.198 13.074 66 HG2 ARG 10 1HG ARG 10 -2.299 3.571 12.595 67 HG3 ARG 10 2HG ARG 10 -3.778 3.205 11.675 68 HD2 ARG 10 1HD ARG 10 -4.841 2.407 13.686 69 HD3 ARG 10 2HD ARG 10 -3.358 2.741 14.610 70 HE ARG 10 HE ARG 10 -4.254 5.252 13.503 71 HH11 ARG 10 1HH1 ARG 10 -5.414 2.879 15.780 72 HH12 ARG 10 2HH1 ARG 10 -6.258 4.133 16.666 73 HH21 ARG 10 1HH2 ARG 10 -5.224 6.698 14.502 74 HH22 ARG 10 2HH2 ARG 10 -6.151 6.312 15.937 75 H ILE 11 H ILE 11 -2.566 -0.931 10.010 76 HA ILE 11 HA ILE 11 -0.491 -2.549 11.300 77 HB ILE 11 HB ILE 11 -2.568 -3.161 9.153 78 HG12 ILE 11 1HG1 ILE 11 -2.405 -4.126 11.991 79 HG13 ILE 11 2HG1 ILE 11 -3.305 -2.677 11.486 80 HG21 ILE 11 1HG2 ILE 11 -1.950 -5.531 9.475 81 HG22 ILE 11 2HG2 ILE 11 -0.574 -4.590 8.856 82 HG23 ILE 11 3HG2 ILE 11 -0.641 -5.041 10.575 83 HD11 ILE 11 3HD1 ILE 11 -3.803 -5.511 10.508 84 HD12 ILE 11 1HD1 ILE 11 -4.798 -4.626 11.687 85 HD13 ILE 11 2HD1 ILE 11 -4.703 -4.062 10.002 86 H PHE 12 H PHE 12 -1.011 -1.284 8.032 87 HA PHE 12 HA PHE 12 1.222 -2.883 6.995 88 HB2 PHE 12 1HB PHE 12 -0.597 -0.772 5.771 89 HB3 PHE 12 2HB PHE 12 0.731 -1.550 4.881 90 HD1 PHE 12 2HD PHE 12 0.697 -4.209 5.064 91 HD2 PHE 12 1HD PHE 12 -2.677 -1.625 5.502 92 HE1 PHE 12 2HE PHE 12 -0.805 -6.070 4.441 93 HE2 PHE 12 1HE PHE 12 -4.183 -3.484 4.881 94 HZ PHE 12 HZ PHE 12 -3.247 -5.707 4.352 95 H ASP 13 H ASP 13 0.729 0.380 8.163 96 HA ASP 13 HA ASP 13 3.384 1.283 7.302 97 HB2 ASP 13 1HB ASP 13 1.364 2.862 7.778 98 HB3 ASP 13 2HB ASP 13 1.629 2.294 9.445 99 H LYS 14 H LYS 14 4.445 -0.700 8.107 100 HA LYS 14 HA LYS 14 4.583 -1.169 10.969 101 HB2 LYS 14 1HB LYS 14 6.173 -2.819 10.466 102 HB3 LYS 14 2HB LYS 14 4.959 -2.865 9.165 103 HG2 LYS 14 1HG LYS 14 6.523 -1.508 7.750 104 HG3 LYS 14 2HG LYS 14 7.747 -1.670 9.032 105 HD2 LYS 14 1HD LYS 14 7.621 -4.134 8.816 106 HD3 LYS 14 2HD LYS 14 6.441 -3.943 7.497 107 HE2 LYS 14 1HE LYS 14 8.138 -2.634 6.230 108 HE3 LYS 14 2HE LYS 14 9.314 -2.969 7.522 109 HZ1 LYS 14 3HZ LYS 14 7.974 -5.000 5.854 110 HZ2 LYS 14 1HZ LYS 14 9.540 -4.508 5.692 111 HZ3 LYS 14 2HZ LYS 14 9.063 -5.312 7.052 112 H ASP 15 H ASP 15 6.276 0.910 8.765 113 HA ASP 15 HA ASP 15 8.528 1.395 10.573 114 HB2 ASP 15 1HB ASP 15 7.555 2.890 8.066 115 HB3 ASP 15 2HB ASP 15 8.883 3.310 9.175 116 H GLY 16 H GLY 16 5.314 2.668 10.139 117 HA2 GLY 16 1HA GLY 16 4.128 4.134 11.499 118 HA3 GLY 16 2HA GLY 16 5.532 4.212 12.589 119 H ASN 17 H ASN 17 5.509 4.928 9.113 120 HA ASN 17 HA ASN 17 6.820 7.514 9.716 121 HB2 ASN 17 1HB ASN 17 6.466 6.166 6.934 122 HB3 ASN 17 2HB ASN 17 7.061 7.734 7.533 123 HD21 ASN 17 2HD2 ASN 17 8.346 5.424 6.123 124 HD22 ASN 17 1HD2 ASN 17 9.736 5.041 7.085 125 H GLY 18 H GLY 18 3.686 6.383 9.106 126 HA2 GLY 18 1HA GLY 18 1.751 7.759 9.082 127 HA3 GLY 18 2HA GLY 18 2.757 9.154 8.626 128 H PHE 19 H PHE 19 3.497 6.331 6.873 129 HA PHE 19 HA PHE 19 1.451 6.492 4.827 130 HB2 PHE 19 1HB PHE 19 2.866 7.392 3.013 131 HB3 PHE 19 2HB PHE 19 2.652 8.603 4.296 132 HD1 PHE 19 1HD PHE 19 5.004 6.232 2.748 133 HD2 PHE 19 2HD PHE 19 4.475 9.408 5.557 134 HE1 PHE 19 1HE PHE 19 7.456 6.503 2.900 135 HE2 PHE 19 2HE PHE 19 6.928 9.684 5.709 136 HZ PHE 19 HZ PHE 19 8.418 8.229 4.381 137 H ILE 20 H ILE 20 2.055 5.220 2.871 138 HA ILE 20 HA ILE 20 3.683 2.856 3.739 139 HB ILE 20 HB ILE 20 1.685 3.130 1.447 140 HG12 ILE 20 1HG1 ILE 20 0.552 3.364 3.530 141 HG13 ILE 20 2HG1 ILE 20 0.185 1.792 2.782 142 HG21 ILE 20 1HG2 ILE 20 1.835 0.665 1.372 143 HG22 ILE 20 2HG2 ILE 20 3.423 1.412 1.081 144 HG23 ILE 20 3HG2 ILE 20 3.053 0.699 2.669 145 HD11 ILE 20 3HD1 ILE 20 2.129 2.262 5.070 146 HD12 ILE 20 1HD1 ILE 20 0.499 1.567 5.215 147 HD13 ILE 20 2HD1 ILE 20 1.764 0.691 4.321 148 H ASP 21 H ASP 21 5.655 2.736 3.154 149 HA ASP 21 HA ASP 21 6.507 3.990 0.594 150 HB2 ASP 21 1HB ASP 21 8.777 3.725 1.415 151 HB3 ASP 21 2HB ASP 21 7.665 4.224 2.714 152 H ARG 22 H ARG 22 8.537 2.429 -0.225 153 HA ARG 22 HA ARG 22 6.990 0.730 -1.949 154 HB2 ARG 22 1HB ARG 22 9.928 1.068 -1.594 155 HB3 ARG 22 2HB ARG 22 9.194 -0.063 -2.755 156 HG2 ARG 22 1HG ARG 22 8.071 1.794 -3.882 157 HG3 ARG 22 2HG ARG 22 8.746 2.938 -2.697 158 HD2 ARG 22 1HD ARG 22 10.980 2.408 -3.473 159 HD3 ARG 22 2HD ARG 22 10.290 1.289 -4.672 160 HE ARG 22 HE ARG 22 9.213 3.905 -5.240 161 HH11 ARG 22 1HH1 ARG 22 12.337 2.357 -5.225 162 HH12 ARG 22 2HH1 ARG 22 12.877 3.419 -6.510 163 HH21 ARG 22 1HH2 ARG 22 9.818 5.134 -6.706 164 HH22 ARG 22 2HH2 ARG 22 11.442 5.005 -7.355 165 H GLU 23 H GLU 23 9.230 -0.020 0.718 166 HA GLU 23 HA GLU 23 9.021 -2.878 0.420 167 HB2 GLU 23 1HB GLU 23 10.841 -1.808 1.620 168 HB3 GLU 23 2HB GLU 23 9.691 -1.165 2.818 169 HG2 GLU 23 1HG GLU 23 9.158 -3.593 3.479 170 HG3 GLU 23 2HG GLU 23 10.390 -4.018 2.270 171 H GLU 24 H GLU 24 7.301 -0.569 2.518 172 HA GLU 24 HA GLU 24 5.714 -2.568 3.846 173 HB2 GLU 24 1HB GLU 24 5.167 0.357 3.317 174 HB3 GLU 24 2HB GLU 24 4.250 -0.683 4.433 175 HG2 GLU 24 1HG GLU 24 6.243 -0.899 5.912 176 HG3 GLU 24 2HG GLU 24 7.176 -0.115 4.616 177 H PHE 25 H PHE 25 5.320 -0.831 0.811 178 HA PHE 25 HA PHE 25 2.624 -1.791 0.313 179 HB2 PHE 25 1HB PHE 25 3.687 0.184 -0.853 180 HB3 PHE 25 2HB PHE 25 4.736 -0.960 -1.720 181 HD1 PHE 25 1HD PHE 25 1.150 -0.186 -1.077 182 HD2 PHE 25 2HD PHE 25 4.066 -1.847 -3.719 183 HE1 PHE 25 1HE PHE 25 -0.583 -0.453 -2.820 184 HE2 PHE 25 2HE PHE 25 2.337 -2.114 -5.465 185 HZ PHE 25 HZ PHE 25 0.010 -1.418 -5.014 186 H GLY 26 H GLY 26 5.869 -2.992 -0.494 187 HA2 GLY 26 1HA GLY 26 5.128 -5.267 -1.983 188 HA3 GLY 26 2HA GLY 26 6.548 -5.161 -0.916 189 H ASP 27 H ASP 27 5.229 -4.764 1.543 190 HA ASP 27 HA ASP 27 4.448 -7.453 2.247 191 HB2 ASP 27 1HB ASP 27 4.195 -4.804 3.793 192 HB3 ASP 27 2HB ASP 27 3.688 -6.438 4.282 193 H ILE 28 H ILE 28 2.617 -4.501 1.537 194 HA ILE 28 HA ILE 28 0.004 -5.576 2.062 195 HB ILE 28 HB ILE 28 0.982 -3.480 0.075 196 HG12 ILE 28 1HG1 ILE 28 -0.568 -3.166 2.629 197 HG13 ILE 28 2HG1 ILE 28 1.202 -3.038 2.502 198 HG21 ILE 28 1HG2 ILE 28 -1.395 -2.854 -0.184 199 HG22 ILE 28 2HG2 ILE 28 -1.107 -4.517 -0.744 200 HG23 ILE 28 3HG2 ILE 28 -1.869 -4.232 0.838 201 HD11 ILE 28 3HD1 ILE 28 -0.816 -1.278 1.064 202 HD12 ILE 28 1HD1 ILE 28 0.145 -0.812 2.485 203 HD13 ILE 28 2HD1 ILE 28 0.953 -1.151 0.937 204 H ILE 29 H ILE 29 2.068 -5.779 -0.804 205 HA ILE 29 HA ILE 29 0.063 -7.054 -2.460 206 HB ILE 29 HB ILE 29 3.113 -7.121 -2.579 207 HG12 ILE 29 1HG1 ILE 29 2.275 -4.916 -2.833 208 HG13 ILE 29 2HG1 ILE 29 2.860 -5.536 -4.394 209 HG21 ILE 29 1HG2 ILE 29 2.800 -7.915 -4.898 210 HG22 ILE 29 2HG2 ILE 29 2.110 -9.065 -3.729 211 HG23 ILE 29 3HG2 ILE 29 1.040 -7.974 -4.641 212 HD11 ILE 29 3HD1 ILE 29 -0.048 -5.353 -3.530 213 HD12 ILE 29 1HD1 ILE 29 0.771 -4.260 -4.670 214 HD13 ILE 29 2HD1 ILE 29 0.539 -5.974 -5.091 215 H ARG 30 H ARG 30 2.569 -8.354 -0.320 216 HA ARG 30 HA ARG 30 2.030 -11.113 -0.912 217 HB2 ARG 30 1HB ARG 30 4.040 -10.420 0.160 218 HB3 ARG 30 2HB ARG 30 3.117 -9.885 1.584 219 HG2 ARG 30 1HG ARG 30 2.410 -12.181 2.017 220 HG3 ARG 30 2HG ARG 30 3.265 -12.736 0.557 221 HD2 ARG 30 1HD ARG 30 5.372 -12.113 1.537 222 HD3 ARG 30 2HD ARG 30 4.534 -11.509 2.985 223 HE ARG 30 HE ARG 30 3.970 -14.354 2.684 224 HH11 ARG 30 1HH1 ARG 30 6.603 -12.227 3.518 225 HH12 ARG 30 2HH1 ARG 30 7.295 -13.473 4.537 226 HH21 ARG 30 1HH2 ARG 30 4.754 -15.794 3.841 227 HH22 ARG 30 2HH2 ARG 30 6.242 -15.508 4.722 228 H LEU 31 H LEU 31 0.619 -8.862 1.437 229 HA LEU 31 HA LEU 31 -1.057 -10.990 2.589 230 HB2 LEU 31 1HB LEU 31 -0.470 -8.185 2.982 231 HB3 LEU 31 2HB LEU 31 -2.055 -8.654 3.642 232 HG LEU 31 HG LEU 31 -1.056 -10.207 5.166 233 HD11 LEU 31 1HD1 LEU 31 1.422 -10.603 5.215 234 HD12 LEU 31 2HD1 LEU 31 0.723 -11.072 3.648 235 HD13 LEU 31 3HD1 LEU 31 1.604 -9.534 3.805 236 HD21 LEU 31 3HD2 LEU 31 -1.036 -7.896 5.899 237 HD22 LEU 31 1HD2 LEU 31 0.396 -8.744 6.527 238 HD23 LEU 31 2HD2 LEU 31 0.553 -7.638 5.140 239 H THR 32 H THR 32 -1.295 -8.636 0.062 240 HA THR 32 HA THR 32 -4.181 -8.743 -0.210 241 HB THR 32 HB THR 32 -1.993 -8.164 -2.250 242 HG1 THR 32 1HG THR 32 -2.717 -5.989 -1.855 243 HG21 THR 32 1HG2 THR 32 -3.812 -7.197 -3.612 244 HG22 THR 32 2HG2 THR 32 -4.075 -8.934 -3.334 245 HG23 THR 32 3HG2 THR 32 -5.002 -7.734 -2.405 246 H GLY 33 H GLY 33 -1.508 -10.669 -1.522 247 HA2 GLY 33 1HA GLY 33 -1.899 -13.074 -1.771 248 HA3 GLY 33 2HA GLY 33 -3.559 -12.705 -2.294 249 H GLU 34 H GLU 34 -0.855 -10.766 -3.372 250 HA GLU 34 HA GLU 34 -1.168 -11.946 -6.114 251 HB2 GLU 34 1HB GLU 34 -0.398 -9.168 -5.211 252 HB3 GLU 34 2HB GLU 34 -0.297 -9.750 -6.891 253 HG2 GLU 34 1HG GLU 34 -2.841 -10.139 -6.809 254 HG3 GLU 34 2HG GLU 34 -2.723 -9.454 -5.173 255 H GLN 35 H GLN 35 0.536 -12.560 -7.280 256 HA GLN 35 HA GLN 35 3.121 -12.707 -5.793 257 HB2 GLN 35 1HB GLN 35 2.113 -14.186 -8.234 258 HB3 GLN 35 2HB GLN 35 3.705 -14.411 -7.472 259 HG2 GLN 35 1HG GLN 35 0.998 -15.267 -6.118 260 HG3 GLN 35 2HG GLN 35 2.327 -16.071 -6.987 261 HE21 GLN 35 2HE2 GLN 35 1.108 -15.417 -3.994 262 HE22 GLN 35 1HE2 GLN 35 2.559 -15.506 -3.053 263 H LEU 36 H LEU 36 3.317 -10.358 -6.294 264 HA LEU 36 HA LEU 36 4.115 -9.806 -9.099 265 HB2 LEU 36 1HB LEU 36 3.987 -8.174 -6.647 266 HB3 LEU 36 2HB LEU 36 4.341 -7.424 -8.221 267 HG LEU 36 HG LEU 36 1.737 -8.693 -7.300 268 HD11 LEU 36 1HD1 LEU 36 0.814 -6.415 -7.797 269 HD12 LEU 36 2HD1 LEU 36 2.116 -6.335 -6.587 270 HD13 LEU 36 3HD1 LEU 36 2.441 -5.876 -8.276 271 HD21 LEU 36 3HD2 LEU 36 2.177 -9.378 -9.583 272 HD22 LEU 36 1HD2 LEU 36 0.853 -8.190 -9.551 273 HD23 LEU 36 2HD2 LEU 36 2.484 -7.691 -10.061 274 H THR 37 H THR 37 6.104 -9.078 -9.747 275 HA THR 37 HA THR 37 8.383 -9.959 -8.105 276 HB THR 37 HB THR 37 9.762 -9.304 -9.991 277 HG1 THR 37 1HG THR 37 8.555 -8.354 -11.860 278 HG21 THR 37 1HG2 THR 37 8.745 -10.647 -11.797 279 HG22 THR 37 2HG2 THR 37 8.532 -11.436 -10.215 280 HG23 THR 37 3HG2 THR 37 7.172 -10.571 -10.968 281 H ASP 38 H ASP 38 10.332 -8.441 -8.068 282 HA ASP 38 HA ASP 38 9.770 -6.239 -6.357 283 HB2 ASP 38 1HB ASP 38 12.259 -6.810 -8.077 284 HB3 ASP 38 2HB ASP 38 11.961 -5.476 -6.935 285 H GLU 39 H GLU 39 10.037 -6.417 -9.866 286 HA GLU 39 HA GLU 39 9.933 -3.498 -10.172 287 HB2 GLU 39 1HB GLU 39 9.664 -5.790 -12.121 288 HB3 GLU 39 2HB GLU 39 9.628 -4.067 -12.574 289 HG2 GLU 39 1HG GLU 39 12.005 -3.828 -11.719 290 HG3 GLU 39 2HG GLU 39 11.865 -5.534 -11.239 291 H ASP 40 H ASP 40 7.669 -6.210 -10.408 292 HA ASP 40 HA ASP 40 5.494 -4.636 -11.478 293 HB2 ASP 40 1HB ASP 40 5.488 -7.329 -9.985 294 HB3 ASP 40 2HB ASP 40 4.118 -6.403 -10.647 295 H VAL 41 H VAL 41 6.522 -5.458 -8.191 296 HA VAL 41 HA VAL 41 4.263 -4.219 -6.852 297 HB VAL 41 HB VAL 41 7.126 -4.747 -5.958 298 HG11 VAL 41 1HG1 VAL 41 6.292 -4.295 -3.675 299 HG12 VAL 41 2HG1 VAL 41 6.145 -2.853 -4.706 300 HG13 VAL 41 3HG1 VAL 41 4.707 -3.838 -4.343 301 HG21 VAL 41 3HG2 VAL 41 5.853 -6.760 -6.400 302 HG22 VAL 41 1HG2 VAL 41 6.123 -6.553 -4.654 303 HG23 VAL 41 2HG2 VAL 41 4.533 -6.177 -5.358 304 H ASP 42 H ASP 42 7.444 -2.975 -7.833 305 HA ASP 42 HA ASP 42 6.949 -0.314 -6.817 306 HB2 ASP 42 1HB ASP 42 8.898 -1.327 -8.974 307 HB3 ASP 42 2HB ASP 42 8.634 0.335 -8.393 308 H GLU 43 H GLU 43 6.169 -1.950 -9.829 309 HA GLU 43 HA GLU 43 5.428 0.395 -11.319 310 HB2 GLU 43 1HB GLU 43 5.816 -1.814 -12.312 311 HB3 GLU 43 2HB GLU 43 4.369 -2.431 -11.479 312 HG2 GLU 43 1HG GLU 43 2.951 -0.815 -12.841 313 HG3 GLU 43 2HG GLU 43 4.492 -0.267 -13.537 314 H ILE 44 H ILE 44 3.484 -1.836 -9.324 315 HA ILE 44 HA ILE 44 1.062 -0.218 -9.666 316 HB ILE 44 HB ILE 44 1.720 -2.423 -7.657 317 HG12 ILE 44 1HG1 ILE 44 1.902 -3.265 -9.866 318 HG13 ILE 44 2HG1 ILE 44 0.419 -3.875 -9.097 319 HG21 ILE 44 1HG2 ILE 44 -0.733 -2.575 -7.395 320 HG22 ILE 44 2HG2 ILE 44 -0.140 -0.961 -6.941 321 HG23 ILE 44 3HG2 ILE 44 -0.938 -1.206 -8.512 322 HD11 ILE 44 3HD1 ILE 44 0.571 -1.620 -11.128 323 HD12 ILE 44 1HD1 ILE 44 0.018 -3.279 -11.453 324 HD13 ILE 44 2HD1 ILE 44 -0.913 -2.229 -10.358 325 H PHE 45 H PHE 45 3.637 -0.415 -7.282 326 HA PHE 45 HA PHE 45 2.539 1.322 -5.325 327 HB2 PHE 45 1HB PHE 45 4.688 0.197 -4.981 328 HB3 PHE 45 2HB PHE 45 5.408 1.096 -6.334 329 HD1 PHE 45 1HD PHE 45 4.075 1.370 -2.908 330 HD2 PHE 45 2HD PHE 45 6.216 3.285 -6.071 331 HE1 PHE 45 1HE PHE 45 4.788 3.148 -1.345 332 HE2 PHE 45 2HE PHE 45 6.934 5.064 -4.511 333 HZ PHE 45 HZ PHE 45 6.218 4.996 -2.147 334 H GLY 46 H GLY 46 4.378 2.166 -8.270 335 HA2 GLY 46 1HA GLY 46 4.139 4.997 -7.888 336 HA3 GLY 46 2HA GLY 46 4.524 4.170 -9.415 337 H ASP 47 H ASP 47 2.097 2.569 -9.445 338 HA ASP 47 HA ASP 47 0.312 4.409 -10.766 339 HB2 ASP 47 1HB ASP 47 -0.116 1.511 -9.825 340 HB3 ASP 47 2HB ASP 47 -1.256 2.602 -10.650 341 H SER 48 H SER 48 0.381 3.027 -7.512 342 HA SER 48 HA SER 48 -2.215 4.110 -6.672 343 HB2 SER 48 1HB SER 48 0.072 3.034 -5.137 344 HB3 SER 48 2HB SER 48 -1.500 3.548 -4.483 345 HG SER 48 HG SER 48 -2.466 1.995 -5.869 346 H ASP 49 H ASP 49 1.180 5.175 -6.620 347 HA ASP 49 HA ASP 49 0.612 7.540 -4.985 348 HB2 ASP 49 1HB ASP 49 2.928 6.349 -5.120 349 HB3 ASP 49 2HB ASP 49 2.875 6.972 -6.787 350 H THR 50 H THR 50 -1.170 8.397 -6.156 351 HA THR 50 HA THR 50 -1.007 9.127 -8.925 352 HB THR 50 HB THR 50 -2.701 10.333 -6.697 353 HG1 THR 50 1HG THR 50 -3.594 8.411 -6.869 354 HG21 THR 50 1HG2 THR 50 -4.158 11.096 -8.539 355 HG22 THR 50 2HG2 THR 50 -2.532 11.805 -8.674 356 HG23 THR 50 3HG2 THR 50 -3.001 10.448 -9.724 357 H ASP 51 H ASP 51 -0.123 10.846 -5.966 358 HA ASP 51 HA ASP 51 0.302 13.366 -7.417 359 HB2 ASP 51 1HB ASP 51 0.891 12.575 -4.500 360 HB3 ASP 51 2HB ASP 51 1.226 14.103 -5.352 361 H LYS 52 H LYS 52 2.038 10.537 -7.143 362 HA LYS 52 HA LYS 52 4.269 9.991 -7.514 363 HB2 LYS 52 1HB LYS 52 4.251 12.689 -8.876 364 HB3 LYS 52 2HB LYS 52 5.496 11.430 -9.057 365 HG2 LYS 52 1HG LYS 52 3.829 9.923 -10.059 366 HG3 LYS 52 2HG LYS 52 2.581 11.178 -9.875 367 HD2 LYS 52 1HD LYS 52 3.902 12.676 -11.342 368 HD3 LYS 52 2HD LYS 52 5.100 11.379 -11.560 369 HE2 LYS 52 1HE LYS 52 3.417 9.951 -12.587 370 HE3 LYS 52 2HE LYS 52 2.164 11.180 -12.296 371 HZ1 LYS 52 3HZ LYS 52 4.517 11.511 -14.044 372 HZ2 LYS 52 1HZ LYS 52 2.972 11.251 -14.557 373 HZ3 LYS 52 2HZ LYS 52 3.357 12.652 -13.774 374 H ASN 53 H ASN 53 3.806 10.934 -4.999 375 HA ASN 53 HA ASN 53 5.886 12.962 -4.409 376 HB2 ASN 53 1HB ASN 53 3.937 11.592 -2.405 377 HB3 ASN 53 2HB ASN 53 5.347 12.672 -2.281 378 HD21 ASN 53 2HD2 ASN 53 2.394 12.929 -1.686 379 HD22 ASN 53 1HD2 ASN 53 1.931 14.406 -2.466 380 H GLY 54 H GLY 54 5.824 9.679 -4.938 381 HA2 GLY 54 1HA GLY 54 7.602 8.164 -4.651 382 HA3 GLY 54 2HA GLY 54 8.394 9.314 -3.550 383 H ARG 55 H ARG 55 5.019 8.398 -3.208 384 HA ARG 55 HA ARG 55 5.339 6.401 -1.170 385 HB2 ARG 55 1HB ARG 55 4.924 7.593 0.803 386 HB3 ARG 55 2HB ARG 55 6.447 8.121 0.050 387 HG2 ARG 55 1HG ARG 55 5.315 10.141 -0.798 388 HG3 ARG 55 2HG ARG 55 3.806 9.615 -0.012 389 HD2 ARG 55 1HD ARG 55 4.765 9.869 2.136 390 HD3 ARG 55 2HD ARG 55 6.367 10.192 1.436 391 HE ARG 55 HE ARG 55 5.604 12.511 1.045 392 HH11 ARG 55 1HH1 ARG 55 2.906 10.511 1.983 393 HH12 ARG 55 2HH1 ARG 55 1.926 11.942 2.237 394 HH21 ARG 55 1HH2 ARG 55 4.491 14.159 1.323 395 HH22 ARG 55 2HH2 ARG 55 2.829 14.023 1.860 396 H ILE 56 H ILE 56 3.411 5.749 -0.210 397 HA ILE 56 HA ILE 56 0.957 6.910 -1.507 398 HB ILE 56 HB ILE 56 1.431 4.145 -0.298 399 HG12 ILE 56 1HG1 ILE 56 0.945 4.899 -3.166 400 HG13 ILE 56 2HG1 ILE 56 2.550 4.603 -2.458 401 HG21 ILE 56 1HG2 ILE 56 -0.824 3.635 -1.171 402 HG22 ILE 56 2HG2 ILE 56 -0.882 4.955 0.021 403 HG23 ILE 56 3HG2 ILE 56 -0.994 5.322 -1.715 404 HD11 ILE 56 3HD1 ILE 56 0.275 2.594 -2.608 405 HD12 ILE 56 1HD1 ILE 56 1.721 2.610 -3.644 406 HD13 ILE 56 2HD1 ILE 56 1.881 2.299 -1.899 407 H ASP 57 H ASP 57 -0.071 8.277 -0.354 408 HA ASP 57 HA ASP 57 0.150 8.185 2.592 409 HB2 ASP 57 1HB ASP 57 -0.871 10.408 2.535 410 HB3 ASP 57 2HB ASP 57 0.337 10.168 1.249 411 H PHE 58 H PHE 58 -2.154 9.093 3.537 412 HA PHE 58 HA PHE 58 -3.574 6.612 3.822 413 HB2 PHE 58 1HB PHE 58 -3.460 8.332 5.615 414 HB3 PHE 58 2HB PHE 58 -4.442 9.427 4.614 415 HD1 PHE 58 1HD PHE 58 -4.471 6.136 6.329 416 HD2 PHE 58 2HD PHE 58 -6.750 9.342 4.663 417 HE1 PHE 58 1HE PHE 58 -6.530 5.176 7.304 418 HE2 PHE 58 2HE PHE 58 -8.812 8.388 5.639 419 HZ PHE 58 HZ PHE 58 -8.701 6.302 6.958 420 H ASP 59 H ASP 59 -4.370 9.605 2.067 421 HA ASP 59 HA ASP 59 -7.029 8.808 1.355 422 HB2 ASP 59 1HB ASP 59 -5.116 10.806 0.005 423 HB3 ASP 59 2HB ASP 59 -6.786 10.375 -0.437 424 H GLU 60 H GLU 60 -3.934 8.465 -0.368 425 HA GLU 60 HA GLU 60 -5.191 7.120 -2.639 426 HB2 GLU 60 1HB GLU 60 -2.313 7.345 -1.744 427 HB3 GLU 60 2HB GLU 60 -2.857 6.613 -3.274 428 HG2 GLU 60 1HG GLU 60 -3.085 9.580 -2.493 429 HG3 GLU 60 2HG GLU 60 -2.061 8.767 -3.698 430 H PHE 61 H PHE 61 -3.707 6.127 0.385 431 HA PHE 61 HA PHE 61 -3.487 3.331 -0.167 432 HB2 PHE 61 1HB PHE 61 -2.512 4.317 1.857 433 HB3 PHE 61 2HB PHE 61 -4.128 4.777 2.441 434 HD1 PHE 61 1HD PHE 61 -1.939 1.899 1.651 435 HD2 PHE 61 2HD PHE 61 -5.458 3.288 3.635 436 HE1 PHE 61 1HE PHE 61 -2.130 -0.268 2.826 437 HE2 PHE 61 2HE PHE 61 -5.650 1.124 4.814 438 HZ PHE 61 HZ PHE 61 -3.986 -0.655 4.407 439 H LEU 62 H LEU 62 -6.230 5.250 1.044 440 HA LEU 62 HA LEU 62 -8.019 3.035 1.357 441 HB2 LEU 62 1HB LEU 62 -8.073 5.893 1.163 442 HB3 LEU 62 2HB LEU 62 -9.653 5.209 0.718 443 HG LEU 62 HG LEU 62 -9.908 4.189 2.876 444 HD11 LEU 62 1HD1 LEU 62 -8.142 4.398 4.645 445 HD12 LEU 62 2HD1 LEU 62 -7.530 3.527 3.220 446 HD13 LEU 62 3HD1 LEU 62 -7.092 5.232 3.475 447 HD21 LEU 62 3HD2 LEU 62 -10.532 6.528 2.752 448 HD22 LEU 62 1HD2 LEU 62 -9.892 6.156 4.371 449 HD23 LEU 62 2HD2 LEU 62 -8.879 7.023 3.190 450 H LYS 63 H LYS 63 -7.177 5.015 -1.438 451 HA LYS 63 HA LYS 63 -9.246 3.912 -3.150 452 HB2 LYS 63 1HB LYS 63 -6.624 5.289 -3.744 453 HB3 LYS 63 2HB LYS 63 -7.827 4.832 -4.974 454 HG2 LYS 63 1HG LYS 63 -9.469 6.332 -3.971 455 HG3 LYS 63 2HG LYS 63 -8.330 6.740 -2.665 456 HD2 LYS 63 1HD LYS 63 -6.747 7.591 -4.437 457 HD3 LYS 63 2HD LYS 63 -8.058 7.369 -5.620 458 HE2 LYS 63 1HE LYS 63 -9.460 8.946 -4.457 459 HE3 LYS 63 2HE LYS 63 -8.293 9.066 -3.120 460 HZ1 LYS 63 3HZ LYS 63 -7.813 9.933 -5.898 461 HZ2 LYS 63 1HZ LYS 63 -8.121 10.931 -4.623 462 HZ3 LYS 63 2HZ LYS 63 -6.730 10.044 -4.660 463 H MET 64 H MET 64 -5.869 3.074 -2.486 464 HA MET 64 HA MET 64 -5.718 1.032 -4.539 465 HB2 MET 64 1HB MET 64 -3.748 2.091 -3.611 466 HB3 MET 64 2HB MET 64 -4.151 1.465 -1.994 467 HG2 MET 64 1HG MET 64 -3.751 -0.432 -4.291 468 HG3 MET 64 2HG MET 64 -2.338 0.266 -3.463 469 HE1 MET 64 3HE MET 64 -3.246 0.525 -0.474 470 HE2 MET 64 1HE MET 64 -2.740 -1.047 0.191 471 HE3 MET 64 2HE MET 64 -1.693 -0.192 -0.968 472 H MET 65 H MET 65 -6.547 0.993 -1.089 473 HA MET 65 HA MET 65 -6.568 -1.882 -0.863 474 HB2 MET 65 1HB MET 65 -7.830 0.343 0.725 475 HB3 MET 65 2HB MET 65 -8.006 -1.375 1.153 476 HG2 MET 65 1HG MET 65 -5.394 0.157 0.965 477 HG3 MET 65 2HG MET 65 -6.239 -0.273 2.470 478 HE1 MET 65 3HE MET 65 -7.262 -3.166 2.091 479 HE2 MET 65 1HE MET 65 -5.874 -4.132 2.647 480 HE3 MET 65 2HE MET 65 -6.326 -2.643 3.512 481 H GLU 66 H GLU 66 -8.855 0.406 -2.118 482 HA GLU 66 HA GLU 66 -11.248 -1.087 -2.037 483 HB2 GLU 66 1HB GLU 66 -10.989 1.196 -2.943 484 HB3 GLU 66 2HB GLU 66 -10.145 0.511 -4.354 485 HG2 GLU 66 1HG GLU 66 -12.271 -0.733 -4.974 486 HG3 GLU 66 2HG GLU 66 -12.954 -0.036 -3.487 487 H ASN 67 H ASN 67 -8.455 -1.462 -4.188 488 HA ASN 67 HA ASN 67 -9.786 -3.626 -5.682 489 HB2 ASN 67 1HB ASN 67 -6.848 -2.646 -5.987 490 HB3 ASN 67 2HB ASN 67 -7.851 -3.944 -6.678 491 HD21 ASN 67 2HD2 ASN 67 -6.530 -1.502 -7.812 492 HD22 ASN 67 1HD2 ASN 67 -7.789 -0.689 -8.682 493 H VAL 68 H VAL 68 -7.715 -3.304 -2.916 494 HA VAL 68 HA VAL 68 -6.736 -6.060 -2.915 495 HB VAL 68 HB VAL 68 -6.986 -3.976 -0.708 496 HG11 VAL 68 1HG1 VAL 68 -5.497 -5.466 0.587 497 HG12 VAL 68 2HG1 VAL 68 -7.038 -6.270 0.210 498 HG13 VAL 68 3HG1 VAL 68 -5.572 -6.674 -0.716 499 HG21 VAL 68 3HG2 VAL 68 -5.421 -3.349 -2.448 500 HG22 VAL 68 1HG2 VAL 68 -4.563 -3.777 -0.950 501 HG23 VAL 68 2HG2 VAL 68 -4.605 -4.925 -2.309 502 H GLN 69 H GLN 69 -9.437 -4.411 -1.294 503 HA GLN 69 HA GLN 69 -10.305 -6.831 0.049 504 HB2 GLN 69 1HB GLN 69 -10.832 -4.561 0.839 505 HB3 GLN 69 2HB GLN 69 -11.802 -4.290 -0.627 506 HG2 GLN 69 1HG GLN 69 -13.459 -6.201 0.275 507 HG3 GLN 69 2HG GLN 69 -12.123 -6.278 1.447 508 HE21 GLN 69 2HE2 GLN 69 -14.826 -5.964 2.172 509 HE22 GLN 69 1HE2 GLN 69 -15.028 -4.395 2.879 Start of MODEL 18 1 H1 SER 1 1H SER 1 -16.319 0.542 1.674 2 H2 SER 1 2H SER 1 -16.542 -0.113 3.005 3 H3 SER 1 3H SER 1 -15.847 1.214 2.929 4 HA SER 1 HA SER 1 -14.506 -1.363 2.816 5 HB2 SER 1 1HB SER 1 -14.186 0.260 0.364 6 HB3 SER 1 2HB SER 1 -13.249 -1.169 0.857 7 HG SER 1 HG SER 1 -14.970 -1.683 -0.563 8 H GLU 2 H GLU 2 -14.237 2.158 2.249 9 HA GLU 2 HA GLU 2 -11.427 2.351 2.796 10 HB2 GLU 2 1HB GLU 2 -13.682 4.349 2.982 11 HB3 GLU 2 2HB GLU 2 -11.969 4.761 3.235 12 HG2 GLU 2 1HG GLU 2 -11.469 4.097 0.855 13 HG3 GLU 2 2HG GLU 2 -13.164 3.567 0.770 14 H GLU 3 H GLU 3 -14.241 2.316 4.893 15 HA GLU 3 HA GLU 3 -12.951 3.180 7.299 16 HB2 GLU 3 1HB GLU 3 -15.377 2.923 7.027 17 HB3 GLU 3 2HB GLU 3 -15.165 1.159 6.914 18 HG2 GLU 3 1HG GLU 3 -14.289 1.155 9.302 19 HG3 GLU 3 2HG GLU 3 -14.501 2.920 9.237 20 H GLU 4 H GLU 4 -13.210 -0.032 5.799 21 HA GLU 4 HA GLU 4 -11.703 -1.321 7.945 22 HB2 GLU 4 1HB GLU 4 -12.437 -2.175 5.141 23 HB3 GLU 4 2HB GLU 4 -11.582 -3.203 6.319 24 HG2 GLU 4 1HG GLU 4 -13.612 -3.096 7.836 25 HG3 GLU 4 2HG GLU 4 -14.303 -2.000 6.618 26 H LEU 5 H LEU 5 -10.932 0.215 4.886 27 HA LEU 5 HA LEU 5 -8.190 -0.788 4.831 28 HB2 LEU 5 1HB LEU 5 -9.607 1.445 3.534 29 HB3 LEU 5 2HB LEU 5 -7.950 1.043 3.030 30 HG LEU 5 HG LEU 5 -10.453 -0.654 2.706 31 HD11 LEU 5 1HD1 LEU 5 -9.900 -0.463 0.266 32 HD12 LEU 5 2HD1 LEU 5 -10.143 1.139 1.000 33 HD13 LEU 5 3HD1 LEU 5 -8.495 0.548 0.679 34 HD21 LEU 5 3HD2 LEU 5 -8.596 -2.072 3.355 35 HD22 LEU 5 1HD2 LEU 5 -8.991 -2.338 1.640 36 HD23 LEU 5 2HD2 LEU 5 -7.571 -1.360 2.087 37 H SER 6 H SER 6 -9.834 1.922 6.289 38 HA SER 6 HA SER 6 -7.546 3.503 7.083 39 HB2 SER 6 1HB SER 6 -9.734 4.317 7.197 40 HB3 SER 6 2HB SER 6 -10.148 3.108 8.433 41 HG SER 6 HG SER 6 -9.554 5.129 9.331 42 H GLU 7 H GLU 7 -9.215 0.691 8.554 43 HA GLU 7 HA GLU 7 -7.475 0.521 10.855 44 HB2 GLU 7 1HB GLU 7 -9.225 -1.503 9.456 45 HB3 GLU 7 2HB GLU 7 -8.338 -1.822 10.966 46 HG2 GLU 7 1HG GLU 7 -9.693 -0.039 12.125 47 HG3 GLU 7 2HG GLU 7 -10.398 0.299 10.527 48 H CYS 8 H CYS 8 -7.423 -1.010 7.651 49 HA CYS 8 HA CYS 8 -5.183 -2.766 8.013 50 HB2 CYS 8 1HB CYS 8 -6.413 -1.167 5.735 51 HB3 CYS 8 2HB CYS 8 -5.113 -2.360 5.492 52 HG CYS 8 HG CYS 8 -6.400 -4.347 6.484 53 H PHE 9 H PHE 9 -5.386 0.675 7.033 54 HA PHE 9 HA PHE 9 -2.644 1.148 6.523 55 HB2 PHE 9 1HB PHE 9 -4.404 2.818 6.054 56 HB3 PHE 9 2HB PHE 9 -4.685 3.022 7.797 57 HD1 PHE 9 1HD PHE 9 -2.186 3.467 5.101 58 HD2 PHE 9 2HD PHE 9 -3.407 4.487 9.066 59 HE1 PHE 9 1HE PHE 9 -0.480 5.255 5.165 60 HE2 PHE 9 2HE PHE 9 -1.704 6.277 9.133 61 HZ PHE 9 HZ PHE 9 -0.238 6.660 7.182 62 H ARG 10 H ARG 10 -4.396 1.340 9.623 63 HA ARG 10 HA ARG 10 -2.065 2.066 11.161 64 HB2 ARG 10 1HB ARG 10 -4.670 0.855 11.951 65 HB3 ARG 10 2HB ARG 10 -3.364 1.258 13.090 66 HG2 ARG 10 1HG ARG 10 -3.502 3.611 12.451 67 HG3 ARG 10 2HG ARG 10 -4.761 3.226 11.251 68 HD2 ARG 10 1HD ARG 10 -6.248 2.544 13.024 69 HD3 ARG 10 2HD ARG 10 -4.989 2.909 14.227 70 HE ARG 10 HE ARG 10 -5.557 5.371 12.843 71 HH11 ARG 10 1HH1 ARG 10 -7.278 3.125 14.880 72 HH12 ARG 10 2HH1 ARG 10 -8.274 4.431 15.490 73 HH21 ARG 10 1HH2 ARG 10 -6.695 6.877 13.525 74 HH22 ARG 10 2HH2 ARG 10 -7.943 6.572 14.717 75 H ILE 11 H ILE 11 -3.418 -1.017 10.136 76 HA ILE 11 HA ILE 11 -1.735 -2.635 11.880 77 HB ILE 11 HB ILE 11 -3.255 -3.260 9.311 78 HG12 ILE 11 1HG1 ILE 11 -3.812 -4.119 12.134 79 HG13 ILE 11 2HG1 ILE 11 -4.521 -2.677 11.371 80 HG21 ILE 11 1HG2 ILE 11 -2.819 -5.636 9.836 81 HG22 ILE 11 2HG2 ILE 11 -1.301 -4.757 9.543 82 HG23 ILE 11 3HG2 ILE 11 -1.796 -5.146 11.206 83 HD11 ILE 11 3HD1 ILE 11 -4.848 -5.541 10.410 84 HD12 ILE 11 1HD1 ILE 11 -6.073 -4.587 11.277 85 HD13 ILE 11 2HD1 ILE 11 -5.557 -4.099 9.645 86 H PHE 12 H PHE 12 -1.426 -1.544 8.516 87 HA PHE 12 HA PHE 12 0.977 -3.195 8.158 88 HB2 PHE 12 1HB PHE 12 -0.466 -1.179 6.392 89 HB3 PHE 12 2HB PHE 12 1.026 -2.015 5.906 90 HD1 PHE 12 2HD PHE 12 0.898 -4.661 6.287 91 HD2 PHE 12 1HD PHE 12 -2.420 -2.045 5.652 92 HE1 PHE 12 2HE PHE 12 -0.438 -6.563 5.444 93 HE2 PHE 12 1HE PHE 12 -3.759 -3.946 4.811 94 HZ PHE 12 HZ PHE 12 -2.768 -6.205 4.707 95 H ASP 13 H ASP 13 0.234 0.171 8.847 96 HA ASP 13 HA ASP 13 3.064 0.966 8.609 97 HB2 ASP 13 1HB ASP 13 1.045 2.562 8.143 98 HB3 ASP 13 2HB ASP 13 0.801 2.349 9.894 99 H LYS 14 H LYS 14 3.849 -0.716 10.042 100 HA LYS 14 HA LYS 14 3.160 -0.691 12.853 101 HB2 LYS 14 1HB LYS 14 5.554 -1.738 11.338 102 HB3 LYS 14 2HB LYS 14 5.297 -1.968 13.084 103 HG2 LYS 14 1HG LYS 14 3.224 -3.205 12.624 104 HG3 LYS 14 2HG LYS 14 3.462 -2.964 10.877 105 HD2 LYS 14 1HD LYS 14 5.603 -4.204 11.019 106 HD3 LYS 14 2HD LYS 14 5.307 -4.485 12.751 107 HE2 LYS 14 1HE LYS 14 3.260 -5.716 12.219 108 HE3 LYS 14 2HE LYS 14 3.510 -5.406 10.486 109 HZ1 LYS 14 3HZ LYS 14 5.310 -6.967 12.227 110 HZ2 LYS 14 1HZ LYS 14 4.266 -7.597 11.116 111 HZ3 LYS 14 2HZ LYS 14 5.544 -6.679 10.619 112 H ASP 15 H ASP 15 5.628 0.944 10.923 113 HA ASP 15 HA ASP 15 7.105 1.968 13.188 114 HB2 ASP 15 1HB ASP 15 6.969 2.921 10.264 115 HB3 ASP 15 2HB ASP 15 7.903 3.595 11.624 116 H GLY 16 H GLY 16 4.316 3.122 11.372 117 HA2 GLY 16 1HA GLY 16 2.739 4.702 12.110 118 HA3 GLY 16 2HA GLY 16 3.803 5.113 13.475 119 H ASN 17 H ASN 17 4.829 4.989 10.098 120 HA ASN 17 HA ASN 17 5.975 7.671 10.357 121 HB2 ASN 17 1HB ASN 17 6.048 5.802 7.869 122 HB3 ASN 17 2HB ASN 17 6.580 7.460 8.238 123 HD21 ASN 17 2HD2 ASN 17 8.030 4.945 7.541 124 HD22 ASN 17 1HD2 ASN 17 9.221 4.759 8.786 125 H GLY 18 H GLY 18 3.101 6.273 8.952 126 HA2 GLY 18 1HA GLY 18 1.177 7.552 8.384 127 HA3 GLY 18 2HA GLY 18 2.194 9.006 8.246 128 H PHE 19 H PHE 19 3.974 6.764 6.732 129 HA PHE 19 HA PHE 19 2.574 7.023 4.101 130 HB2 PHE 19 1HB PHE 19 5.475 7.762 4.682 131 HB3 PHE 19 2HB PHE 19 4.766 7.615 3.058 132 HD1 PHE 19 2HD PHE 19 3.089 9.213 2.287 133 HD2 PHE 19 1HD PHE 19 5.090 9.658 6.035 134 HE1 PHE 19 2HE PHE 19 2.398 11.586 2.373 135 HE2 PHE 19 1HE PHE 19 4.398 12.030 6.126 136 HZ PHE 19 HZ PHE 19 3.052 12.993 4.294 137 H ILE 20 H ILE 20 2.737 5.354 2.749 138 HA ILE 20 HA ILE 20 4.538 3.091 3.554 139 HB ILE 20 HB ILE 20 2.238 3.169 1.547 140 HG12 ILE 20 1HG1 ILE 20 1.406 3.419 3.765 141 HG13 ILE 20 2HG1 ILE 20 1.023 1.804 3.123 142 HG21 ILE 20 1HG2 ILE 20 2.513 0.713 1.518 143 HG22 ILE 20 2HG2 ILE 20 3.997 1.528 0.978 144 HG23 ILE 20 3HG2 ILE 20 3.901 0.855 2.622 145 HD11 ILE 20 3HD1 ILE 20 3.248 2.456 5.088 146 HD12 ILE 20 1HD1 ILE 20 1.697 1.684 5.490 147 HD13 ILE 20 2HD1 ILE 20 2.866 0.841 4.445 148 H ASP 21 H ASP 21 6.444 3.089 2.758 149 HA ASP 21 HA ASP 21 6.863 4.093 -0.016 150 HB2 ASP 21 1HB ASP 21 9.263 4.031 0.525 151 HB3 ASP 21 2HB ASP 21 8.255 4.764 1.797 152 H ARG 22 H ARG 22 8.909 2.631 -0.916 153 HA ARG 22 HA ARG 22 7.487 0.387 -2.029 154 HB2 ARG 22 1HB ARG 22 10.336 1.235 -2.201 155 HB3 ARG 22 2HB ARG 22 9.688 -0.224 -2.986 156 HG2 ARG 22 1HG ARG 22 8.126 1.142 -4.277 157 HG3 ARG 22 2HG ARG 22 8.716 2.611 -3.463 158 HD2 ARG 22 1HD ARG 22 9.644 2.483 -5.638 159 HD3 ARG 22 2HD ARG 22 10.926 2.207 -4.436 160 HE ARG 22 HE ARG 22 11.160 -0.071 -5.377 161 HH11 ARG 22 1HH1 ARG 22 8.317 1.475 -6.676 162 HH12 ARG 22 2HH1 ARG 22 8.191 0.227 -7.901 163 HH21 ARG 22 1HH2 ARG 22 11.025 -1.511 -6.768 164 HH22 ARG 22 2HH2 ARG 22 9.735 -1.476 -7.954 165 H GLU 23 H GLU 23 9.796 0.702 0.608 166 HA GLU 23 HA GLU 23 10.371 -2.125 0.826 167 HB2 GLU 23 1HB GLU 23 10.579 0.170 2.776 168 HB3 GLU 23 2HB GLU 23 11.122 -1.489 3.126 169 HG2 GLU 23 1HG GLU 23 12.824 -1.315 1.281 170 HG3 GLU 23 2HG GLU 23 12.084 0.255 0.898 171 H GLU 24 H GLU 24 8.080 0.020 2.512 172 HA GLU 24 HA GLU 24 6.922 -2.170 4.050 173 HB2 GLU 24 1HB GLU 24 5.938 0.612 3.401 174 HB3 GLU 24 2HB GLU 24 5.129 -0.521 4.510 175 HG2 GLU 24 1HG GLU 24 7.903 0.745 4.935 176 HG3 GLU 24 2HG GLU 24 6.348 1.076 5.733 177 H PHE 25 H PHE 25 6.225 -0.620 0.964 178 HA PHE 25 HA PHE 25 3.630 -1.769 0.561 179 HB2 PHE 25 1HB PHE 25 4.419 0.071 -0.843 180 HB3 PHE 25 2HB PHE 25 5.763 -0.924 -1.448 181 HD1 PHE 25 1HD PHE 25 2.035 -0.932 -1.237 182 HD2 PHE 25 2HD PHE 25 5.537 -1.992 -3.443 183 HE1 PHE 25 1HE PHE 25 0.619 -1.704 -3.110 184 HE2 PHE 25 2HE PHE 25 4.123 -2.763 -5.320 185 HZ PHE 25 HZ PHE 25 1.663 -2.619 -5.152 186 H GLY 26 H GLY 26 6.877 -2.947 -0.296 187 HA2 GLY 26 1HA GLY 26 6.045 -5.320 -1.618 188 HA3 GLY 26 2HA GLY 26 7.603 -5.084 -0.793 189 H ASP 27 H ASP 27 6.652 -4.623 1.822 190 HA ASP 27 HA ASP 27 6.238 -7.327 2.747 191 HB2 ASP 27 1HB ASP 27 6.021 -4.634 4.221 192 HB3 ASP 27 2HB ASP 27 5.760 -6.282 4.847 193 H ILE 28 H ILE 28 4.067 -4.560 2.293 194 HA ILE 28 HA ILE 28 1.724 -5.768 3.432 195 HB ILE 28 HB ILE 28 2.065 -3.719 1.198 196 HG12 ILE 28 1HG1 ILE 28 1.133 -3.340 4.027 197 HG13 ILE 28 2HG1 ILE 28 2.824 -3.164 3.504 198 HG21 ILE 28 1HG2 ILE 28 -0.340 -3.240 1.503 199 HG22 ILE 28 2HG2 ILE 28 -0.086 -4.912 0.952 200 HG23 ILE 28 3HG2 ILE 28 -0.462 -4.587 2.660 201 HD11 ILE 28 3HD1 ILE 28 0.467 -1.545 2.477 202 HD12 ILE 28 1HD1 ILE 28 1.698 -0.975 3.627 203 HD13 ILE 28 2HD1 ILE 28 2.158 -1.369 1.953 204 H ILE 29 H ILE 29 3.095 -5.987 0.180 205 HA ILE 29 HA ILE 29 0.946 -7.486 -0.985 206 HB ILE 29 HB ILE 29 3.947 -7.517 -1.541 207 HG12 ILE 29 1HG1 ILE 29 1.739 -6.264 -3.141 208 HG13 ILE 29 2HG1 ILE 29 2.641 -5.405 -1.870 209 HG21 ILE 29 1HG2 ILE 29 3.351 -8.613 -3.675 210 HG22 ILE 29 2HG2 ILE 29 2.889 -9.623 -2.286 211 HG23 ILE 29 3HG2 ILE 29 1.650 -8.693 -3.160 212 HD11 ILE 29 3HD1 ILE 29 3.838 -6.648 -4.372 213 HD12 ILE 29 1HD1 ILE 29 3.559 -4.912 -4.102 214 HD13 ILE 29 2HD1 ILE 29 4.741 -5.790 -3.102 215 H ARG 30 H ARG 30 3.780 -8.575 0.845 216 HA ARG 30 HA ARG 30 3.113 -11.387 0.468 217 HB2 ARG 30 1HB ARG 30 5.024 -10.007 2.292 218 HB3 ARG 30 2HB ARG 30 4.765 -11.766 2.249 219 HG2 ARG 30 1HG ARG 30 5.476 -11.832 -0.090 220 HG3 ARG 30 2HG ARG 30 5.691 -10.065 -0.087 221 HD2 ARG 30 1HD ARG 30 7.455 -10.274 1.541 222 HD3 ARG 30 2HD ARG 30 7.229 -12.039 1.571 223 HE ARG 30 HE ARG 30 7.948 -11.361 -1.128 224 HH11 ARG 30 1HH1 ARG 30 9.409 -11.091 2.027 225 HH12 ARG 30 2HH1 ARG 30 11.000 -11.261 1.311 226 HH21 ARG 30 1HH2 ARG 30 9.762 -11.548 -1.963 227 HH22 ARG 30 2HH2 ARG 30 11.203 -11.519 -0.964 228 H LEU 31 H LEU 31 2.322 -8.930 2.839 229 HA LEU 31 HA LEU 31 1.241 -10.822 4.776 230 HB2 LEU 31 1HB LEU 31 0.979 -7.936 4.272 231 HB3 LEU 31 2HB LEU 31 0.171 -8.627 5.698 232 HG LEU 31 HG LEU 31 3.168 -8.631 5.166 233 HD11 LEU 31 1HD1 LEU 31 3.265 -7.032 7.096 234 HD12 LEU 31 2HD1 LEU 31 2.292 -6.373 5.760 235 HD13 LEU 31 3HD1 LEU 31 1.488 -7.062 7.191 236 HD21 LEU 31 3HD2 LEU 31 2.455 -10.594 6.398 237 HD22 LEU 31 1HD2 LEU 31 3.355 -9.497 7.472 238 HD23 LEU 31 2HD2 LEU 31 1.579 -9.578 7.568 239 H THR 32 H THR 32 -0.023 -9.038 2.025 240 HA THR 32 HA THR 32 -2.773 -9.979 2.574 241 HB THR 32 HB THR 32 -3.323 -8.872 0.425 242 HG1 THR 32 1HG THR 32 -1.608 -7.695 -0.617 243 HG21 THR 32 1HG2 THR 32 -2.816 -6.554 1.111 244 HG22 THR 32 2HG2 THR 32 -3.323 -7.538 2.505 245 HG23 THR 32 3HG2 THR 32 -1.601 -7.161 2.262 246 H GLY 33 H GLY 33 0.041 -11.069 0.925 247 HA2 GLY 33 1HA GLY 33 0.404 -13.213 0.098 248 HA3 GLY 33 2HA GLY 33 -1.296 -13.606 0.445 249 H GLU 34 H GLU 34 -0.171 -10.887 -1.522 250 HA GLU 34 HA GLU 34 -1.743 -11.965 -3.807 251 HB2 GLU 34 1HB GLU 34 -0.487 -9.281 -3.229 252 HB3 GLU 34 2HB GLU 34 -1.273 -9.702 -4.771 253 HG2 GLU 34 1HG GLU 34 -2.656 -9.510 -2.028 254 HG3 GLU 34 2HG GLU 34 -2.744 -8.442 -3.446 255 H GLN 35 H GLN 35 -0.975 -12.338 -5.816 256 HA GLN 35 HA GLN 35 1.978 -12.758 -5.942 257 HB2 GLN 35 1HB GLN 35 -0.277 -13.806 -7.667 258 HB3 GLN 35 2HB GLN 35 1.451 -14.179 -7.877 259 HG2 GLN 35 1HG GLN 35 -0.265 -15.204 -5.450 260 HG3 GLN 35 2HG GLN 35 0.372 -15.875 -6.970 261 HE21 GLN 35 2HE2 GLN 35 0.930 -15.404 -3.679 262 HE22 GLN 35 1HE2 GLN 35 2.625 -15.761 -3.644 263 H LEU 36 H LEU 36 2.926 -10.944 -6.562 264 HA LEU 36 HA LEU 36 1.914 -9.687 -9.090 265 HB2 LEU 36 1HB LEU 36 3.217 -8.498 -6.728 266 HB3 LEU 36 2HB LEU 36 2.799 -7.498 -8.139 267 HG LEU 36 HG LEU 36 0.830 -8.938 -6.318 268 HD11 LEU 36 1HD1 LEU 36 0.174 -6.622 -5.610 269 HD12 LEU 36 2HD1 LEU 36 1.881 -6.952 -5.238 270 HD13 LEU 36 3HD1 LEU 36 1.454 -5.957 -6.650 271 HD21 LEU 36 3HD2 LEU 36 0.036 -8.821 -8.606 272 HD22 LEU 36 1HD2 LEU 36 -0.903 -7.709 -7.581 273 HD23 LEU 36 2HD2 LEU 36 0.361 -7.071 -8.661 274 H THR 37 H THR 37 3.333 -9.083 -10.622 275 HA THR 37 HA THR 37 6.067 -10.182 -10.399 276 HB THR 37 HB THR 37 6.309 -9.588 -12.733 277 HG1 THR 37 1HG THR 37 4.378 -8.508 -13.722 278 HG21 THR 37 1HG2 THR 37 4.409 -10.806 -13.737 279 HG22 THR 37 2HG2 THR 37 4.983 -11.618 -12.260 280 HG23 THR 37 3HG2 THR 37 3.498 -10.638 -12.217 281 H ASP 38 H ASP 38 7.847 -8.790 -11.384 282 HA ASP 38 HA ASP 38 8.329 -6.585 -9.620 283 HB2 ASP 38 1HB ASP 38 9.709 -7.365 -12.259 284 HB3 ASP 38 2HB ASP 38 10.074 -6.016 -11.154 285 H GLU 39 H GLU 39 6.831 -6.774 -12.780 286 HA GLU 39 HA GLU 39 6.805 -3.849 -13.112 287 HB2 GLU 39 1HB GLU 39 5.425 -6.102 -14.577 288 HB3 GLU 39 2HB GLU 39 5.298 -4.381 -15.013 289 HG2 GLU 39 1HG GLU 39 7.791 -4.350 -15.480 290 HG3 GLU 39 2HG GLU 39 7.784 -6.040 -14.927 291 H ASP 40 H ASP 40 4.566 -6.382 -12.068 292 HA ASP 40 HA ASP 40 2.206 -4.783 -11.990 293 HB2 ASP 40 1HB ASP 40 2.989 -7.195 -10.244 294 HB3 ASP 40 2HB ASP 40 1.464 -6.280 -10.302 295 H VAL 41 H VAL 41 4.746 -5.278 -9.553 296 HA VAL 41 HA VAL 41 3.311 -3.780 -7.486 297 HB VAL 41 HB VAL 41 5.386 -3.939 -6.219 298 HG11 VAL 41 1HG1 VAL 41 5.700 -6.391 -6.212 299 HG12 VAL 41 2HG1 VAL 41 3.976 -5.967 -6.329 300 HG13 VAL 41 3HG1 VAL 41 4.861 -6.504 -7.777 301 HG21 VAL 41 3HG2 VAL 41 6.952 -3.395 -7.986 302 HG22 VAL 41 1HG2 VAL 41 7.420 -4.906 -7.169 303 HG23 VAL 41 2HG2 VAL 41 6.643 -4.965 -8.769 304 H ASP 42 H ASP 42 5.480 -2.933 -10.072 305 HA ASP 42 HA ASP 42 6.002 -0.253 -9.002 306 HB2 ASP 42 1HB ASP 42 6.501 -1.484 -11.778 307 HB3 ASP 42 2HB ASP 42 6.752 0.193 -11.234 308 H GLU 43 H GLU 43 3.707 -1.732 -11.237 309 HA GLU 43 HA GLU 43 2.555 0.775 -12.126 310 HB2 GLU 43 1HB GLU 43 1.561 -2.071 -12.067 311 HB3 GLU 43 2HB GLU 43 0.605 -0.716 -12.713 312 HG2 GLU 43 1HG GLU 43 2.385 -0.319 -14.463 313 HG3 GLU 43 2HG GLU 43 3.303 -1.604 -13.644 314 H ILE 44 H ILE 44 1.723 -1.526 -9.546 315 HA ILE 44 HA ILE 44 -0.642 -0.062 -8.701 316 HB ILE 44 HB ILE 44 1.128 -2.096 -7.274 317 HG12 ILE 44 1HG1 ILE 44 -1.639 -2.416 -8.394 318 HG13 ILE 44 2HG1 ILE 44 -0.150 -2.809 -9.285 319 HG21 ILE 44 1HG2 ILE 44 -0.705 -2.258 -5.624 320 HG22 ILE 44 2HG2 ILE 44 -0.008 -0.621 -5.647 321 HG23 ILE 44 3HG2 ILE 44 -1.565 -0.937 -6.448 322 HD11 ILE 44 3HD1 ILE 44 -1.039 -4.064 -6.663 323 HD12 ILE 44 1HD1 ILE 44 -1.137 -4.825 -8.268 324 HD13 ILE 44 2HD1 ILE 44 0.451 -4.457 -7.553 325 H PHE 45 H PHE 45 2.677 -0.177 -7.417 326 HA PHE 45 HA PHE 45 2.228 1.788 -5.380 327 HB2 PHE 45 1HB PHE 45 4.230 0.285 -5.482 328 HB3 PHE 45 2HB PHE 45 4.811 1.201 -6.891 329 HD1 PHE 45 1HD PHE 45 4.167 1.315 -3.273 330 HD2 PHE 45 2HD PHE 45 5.819 3.328 -6.660 331 HE1 PHE 45 1HE PHE 45 5.318 2.902 -1.766 332 HE2 PHE 45 2HE PHE 45 6.974 4.914 -5.157 333 HZ PHE 45 HZ PHE 45 6.721 4.701 -2.708 334 H GLY 46 H GLY 46 3.280 2.107 -8.761 335 HA2 GLY 46 1HA GLY 46 3.850 4.907 -8.607 336 HA3 GLY 46 2HA GLY 46 3.526 3.983 -10.092 337 H ASP 47 H ASP 47 0.941 3.091 -9.598 338 HA ASP 47 HA ASP 47 -0.606 5.413 -10.326 339 HB2 ASP 47 1HB ASP 47 -1.472 2.570 -9.526 340 HB3 ASP 47 2HB ASP 47 -2.491 3.969 -9.947 341 H SER 48 H SER 48 -0.185 3.649 -7.287 342 HA SER 48 HA SER 48 -2.186 5.040 -5.721 343 HB2 SER 48 1HB SER 48 0.316 3.686 -4.912 344 HB3 SER 48 2HB SER 48 -0.954 4.313 -3.838 345 HG SER 48 HG SER 48 -1.292 2.361 -5.869 346 H ASP 49 H ASP 49 1.271 5.653 -6.421 347 HA ASP 49 HA ASP 49 1.405 8.004 -4.700 348 HB2 ASP 49 1HB ASP 49 3.441 6.534 -5.401 349 HB3 ASP 49 2HB ASP 49 3.090 7.242 -6.997 350 H THR 50 H THR 50 -0.477 9.128 -5.409 351 HA THR 50 HA THR 50 -0.483 10.224 -8.141 352 HB THR 50 HB THR 50 -2.515 11.401 -7.442 353 HG1 THR 50 1HG THR 50 -1.542 10.731 -4.908 354 HG21 THR 50 1HG2 THR 50 -3.916 9.458 -6.838 355 HG22 THR 50 2HG2 THR 50 -2.727 9.025 -8.089 356 HG23 THR 50 3HG2 THR 50 -2.457 8.542 -6.398 357 H ASP 51 H ASP 51 0.586 11.202 -4.969 358 HA ASP 51 HA ASP 51 1.018 13.994 -5.753 359 HB2 ASP 51 1HB ASP 51 2.013 12.363 -3.339 360 HB3 ASP 51 2HB ASP 51 2.409 14.038 -3.801 361 H LYS 52 H LYS 52 2.616 11.031 -6.315 362 HA LYS 52 HA LYS 52 4.628 10.555 -7.379 363 HB2 LYS 52 1HB LYS 52 4.375 13.443 -8.233 364 HB3 LYS 52 2HB LYS 52 5.488 12.242 -8.929 365 HG2 LYS 52 1HG LYS 52 3.571 10.907 -9.702 366 HG3 LYS 52 2HG LYS 52 2.455 12.102 -9.001 367 HD2 LYS 52 1HD LYS 52 3.400 13.836 -10.495 368 HD3 LYS 52 2HD LYS 52 4.470 12.609 -11.218 369 HE2 LYS 52 1HE LYS 52 2.544 11.344 -12.003 370 HE3 LYS 52 2HE LYS 52 1.439 12.489 -11.209 371 HZ1 LYS 52 3HZ LYS 52 3.286 13.139 -13.416 372 HZ2 LYS 52 1HZ LYS 52 1.654 12.943 -13.558 373 HZ3 LYS 52 2HZ LYS 52 2.260 14.202 -12.681 374 H ASN 53 H ASN 53 4.953 10.947 -4.751 375 HA ASN 53 HA ASN 53 7.456 12.599 -4.589 376 HB2 ASN 53 1HB ASN 53 6.761 13.396 -2.304 377 HB3 ASN 53 2HB ASN 53 5.587 13.479 -3.640 378 HD21 ASN 53 2HD2 ASN 53 4.733 13.741 -1.090 379 HD22 ASN 53 1HD2 ASN 53 3.826 12.344 -0.613 380 H GLY 54 H GLY 54 6.358 9.549 -4.724 381 HA2 GLY 54 1HA GLY 54 7.692 7.635 -4.449 382 HA3 GLY 54 2HA GLY 54 8.832 8.580 -3.464 383 H ARG 55 H ARG 55 5.689 9.165 -2.443 384 HA ARG 55 HA ARG 55 5.758 6.961 -0.422 385 HB2 ARG 55 1HB ARG 55 5.491 9.866 0.210 386 HB3 ARG 55 2HB ARG 55 5.147 8.521 1.323 387 HG2 ARG 55 1HG ARG 55 7.840 9.025 0.023 388 HG3 ARG 55 2HG ARG 55 7.392 9.587 1.651 389 HD2 ARG 55 1HD ARG 55 7.038 7.267 2.319 390 HD3 ARG 55 2HD ARG 55 7.579 6.745 0.705 391 HE ARG 55 HE ARG 55 9.418 7.684 2.860 392 HH11 ARG 55 1HH1 ARG 55 9.048 6.882 -0.514 393 HH12 ARG 55 2HH1 ARG 55 10.786 6.729 -0.674 394 HH21 ARG 55 1HH2 ARG 55 11.410 7.503 2.695 395 HH22 ARG 55 2HH2 ARG 55 12.135 7.081 1.155 396 H ILE 56 H ILE 56 3.928 5.953 -0.204 397 HA ILE 56 HA ILE 56 1.425 7.180 -1.244 398 HB ILE 56 HB ILE 56 2.002 4.445 -0.014 399 HG12 ILE 56 1HG1 ILE 56 1.410 5.197 -2.863 400 HG13 ILE 56 2HG1 ILE 56 3.030 4.875 -2.201 401 HG21 ILE 56 1HG2 ILE 56 -0.271 3.861 -0.789 402 HG22 ILE 56 2HG2 ILE 56 -0.320 5.187 0.396 403 HG23 ILE 56 3HG2 ILE 56 -0.515 5.536 -1.337 404 HD11 ILE 56 3HD1 ILE 56 0.725 2.897 -2.306 405 HD12 ILE 56 1HD1 ILE 56 2.142 2.902 -3.381 406 HD13 ILE 56 2HD1 ILE 56 2.344 2.575 -1.643 407 H ASP 57 H ASP 57 0.391 8.558 -0.107 408 HA ASP 57 HA ASP 57 0.495 8.438 2.846 409 HB2 ASP 57 1HB ASP 57 -0.569 10.628 2.777 410 HB3 ASP 57 2HB ASP 57 0.655 10.438 1.499 411 H PHE 58 H PHE 58 -1.951 9.334 3.599 412 HA PHE 58 HA PHE 58 -3.142 6.764 4.027 413 HB2 PHE 58 1HB PHE 58 -3.314 8.608 5.670 414 HB3 PHE 58 2HB PHE 58 -4.300 9.542 4.524 415 HD1 PHE 58 1HD PHE 58 -4.206 6.399 6.493 416 HD2 PHE 58 2HD PHE 58 -6.594 9.278 4.429 417 HE1 PHE 58 1HE PHE 58 -6.253 5.355 7.408 418 HE2 PHE 58 2HE PHE 58 -8.642 8.238 5.343 419 HZ PHE 58 HZ PHE 58 -8.471 6.274 6.832 420 H ASP 59 H ASP 59 -4.350 9.563 2.156 421 HA ASP 59 HA ASP 59 -6.693 8.195 1.205 422 HB2 ASP 59 1HB ASP 59 -5.203 10.642 0.080 423 HB3 ASP 59 2HB ASP 59 -6.675 9.846 -0.529 424 H GLU 60 H GLU 60 -3.420 8.522 -0.109 425 HA GLU 60 HA GLU 60 -4.021 7.106 -2.572 426 HB2 GLU 60 1HB GLU 60 -1.453 7.633 -1.074 427 HB3 GLU 60 2HB GLU 60 -1.541 6.816 -2.653 428 HG2 GLU 60 1HG GLU 60 -2.332 8.880 -3.742 429 HG3 GLU 60 2HG GLU 60 -2.651 9.529 -2.118 430 H PHE 61 H PHE 61 -3.095 6.131 0.671 431 HA PHE 61 HA PHE 61 -2.465 3.396 0.076 432 HB2 PHE 61 1HB PHE 61 -1.945 4.413 2.261 433 HB3 PHE 61 2HB PHE 61 -3.679 4.620 2.591 434 HD1 PHE 61 1HD PHE 61 -0.905 2.247 2.364 435 HD2 PHE 61 2HD PHE 61 -5.065 2.762 3.195 436 HE1 PHE 61 1HE PHE 61 -0.972 0.009 3.411 437 HE2 PHE 61 2HE PHE 61 -5.134 0.526 4.245 438 HZ PHE 61 HZ PHE 61 -3.087 -0.853 4.352 439 H LEU 62 H LEU 62 -5.545 5.021 0.763 440 HA LEU 62 HA LEU 62 -7.176 2.684 0.812 441 HB2 LEU 62 1HB LEU 62 -7.670 5.412 -0.188 442 HB3 LEU 62 2HB LEU 62 -9.030 4.313 0.136 443 HG LEU 62 HG LEU 62 -7.071 5.405 2.194 444 HD11 LEU 62 1HD1 LEU 62 -9.073 6.640 3.069 445 HD12 LEU 62 2HD1 LEU 62 -8.708 7.106 1.391 446 HD13 LEU 62 3HD1 LEU 62 -10.044 5.981 1.731 447 HD21 LEU 62 3HD2 LEU 62 -7.799 3.159 2.749 448 HD22 LEU 62 1HD2 LEU 62 -8.546 4.332 3.860 449 HD23 LEU 62 2HD2 LEU 62 -9.502 3.627 2.534 450 H LYS 63 H LYS 63 -6.003 4.637 -1.900 451 HA LYS 63 HA LYS 63 -7.396 3.073 -3.915 452 HB2 LYS 63 1HB LYS 63 -6.580 5.352 -4.299 453 HB3 LYS 63 2HB LYS 63 -4.907 4.779 -4.098 454 HG2 LYS 63 1HG LYS 63 -5.183 3.321 -6.075 455 HG3 LYS 63 2HG LYS 63 -6.840 3.935 -6.284 456 HD2 LYS 63 1HD LYS 63 -5.949 6.219 -6.575 457 HD3 LYS 63 2HD LYS 63 -4.294 5.589 -6.393 458 HE2 LYS 63 1HE LYS 63 -4.704 4.110 -8.364 459 HE3 LYS 63 2HE LYS 63 -6.280 4.905 -8.582 460 HZ1 LYS 63 3HZ LYS 63 -3.655 6.246 -8.690 461 HZ2 LYS 63 1HZ LYS 63 -4.595 5.873 -9.992 462 HZ3 LYS 63 2HZ LYS 63 -5.116 6.984 -8.891 463 H MET 64 H MET 64 -4.202 2.889 -2.396 464 HA MET 64 HA MET 64 -3.071 0.991 -4.212 465 HB2 MET 64 1HB MET 64 -1.803 2.319 -2.585 466 HB3 MET 64 2HB MET 64 -2.551 1.390 -1.264 467 HG2 MET 64 1HG MET 64 -0.990 0.009 -3.439 468 HG3 MET 64 2HG MET 64 -0.152 0.768 -2.064 469 HE1 MET 64 3HE MET 64 -1.791 0.311 0.451 470 HE2 MET 64 1HE MET 64 -1.265 -1.303 0.988 471 HE3 MET 64 2HE MET 64 -0.077 -0.156 0.320 472 H MET 65 H MET 65 -4.664 0.455 -1.057 473 HA MET 65 HA MET 65 -4.480 -2.409 -1.186 474 HB2 MET 65 1HB MET 65 -6.323 -0.528 0.279 475 HB3 MET 65 2HB MET 65 -6.367 -2.298 0.472 476 HG2 MET 65 1HG MET 65 -3.997 -0.500 1.071 477 HG3 MET 65 2HG MET 65 -5.102 -1.195 2.280 478 HE1 MET 65 3HE MET 65 -5.641 -4.105 1.321 479 HE2 MET 65 1HE MET 65 -4.323 -5.003 2.113 480 HE3 MET 65 2HE MET 65 -5.163 -3.699 2.988 481 H GLU 66 H GLU 66 -6.799 -0.121 -2.495 482 HA GLU 66 HA GLU 66 -8.800 -2.068 -3.227 483 HB2 GLU 66 1HB GLU 66 -9.162 0.373 -3.133 484 HB3 GLU 66 2HB GLU 66 -8.085 0.560 -4.539 485 HG2 GLU 66 1HG GLU 66 -9.722 -0.765 -5.941 486 HG3 GLU 66 2HG GLU 66 -10.645 -0.981 -4.435 487 H ASN 67 H ASN 67 -5.840 -0.937 -4.781 488 HA ASN 67 HA ASN 67 -6.443 -2.762 -7.085 489 HB2 ASN 67 1HB ASN 67 -4.556 -0.292 -7.210 490 HB3 ASN 67 2HB ASN 67 -4.971 -1.672 -8.256 491 HD21 ASN 67 2HD2 ASN 67 -5.848 1.434 -7.147 492 HD22 ASN 67 1HD2 ASN 67 -7.319 1.604 -8.047 493 H VAL 68 H VAL 68 -5.064 -3.115 -4.310 494 HA VAL 68 HA VAL 68 -2.307 -3.831 -4.947 495 HB VAL 68 HB VAL 68 -3.375 -3.343 -2.606 496 HG11 VAL 68 1HG1 VAL 68 -4.107 -5.388 -1.425 497 HG12 VAL 68 2HG1 VAL 68 -5.186 -5.015 -2.791 498 HG13 VAL 68 3HG1 VAL 68 -3.973 -6.311 -2.939 499 HG21 VAL 68 3HG2 VAL 68 -1.056 -3.953 -2.950 500 HG22 VAL 68 1HG2 VAL 68 -1.720 -4.773 -1.516 501 HG23 VAL 68 2HG2 VAL 68 -1.500 -5.675 -3.035 502 H GLN 69 H GLN 69 -5.352 -5.413 -5.366 503 HA GLN 69 HA GLN 69 -4.272 -8.101 -5.534 504 HB2 GLN 69 1HB GLN 69 -6.645 -7.603 -5.111 505 HB3 GLN 69 2HB GLN 69 -6.769 -6.885 -6.735 506 HG2 GLN 69 1HG GLN 69 -6.300 -9.342 -7.712 507 HG3 GLN 69 2HG GLN 69 -6.059 -9.580 -5.965 508 HE21 GLN 69 2HE2 GLN 69 -7.806 -11.138 -7.531 509 HE22 GLN 69 1HE2 GLN 69 -9.431 -10.829 -7.015 Start of MODEL 19 1 H1 SER 1 1H SER 1 -16.526 -0.122 5.306 2 H2 SER 1 2H SER 1 -16.439 -0.684 6.694 3 H3 SER 1 3H SER 1 -15.887 0.679 6.401 4 HA SER 1 HA SER 1 -14.375 -1.795 6.197 5 HB2 SER 1 1HB SER 1 -14.650 -0.350 3.630 6 HB3 SER 1 2HB SER 1 -13.530 -1.675 4.026 7 HG SER 1 HG SER 1 -15.440 -2.405 2.995 8 H GLU 2 H GLU 2 -14.528 1.686 5.390 9 HA GLU 2 HA GLU 2 -11.690 2.103 5.294 10 HB2 GLU 2 1HB GLU 2 -13.999 3.970 5.842 11 HB3 GLU 2 2HB GLU 2 -12.309 4.499 5.656 12 HG2 GLU 2 1HG GLU 2 -12.323 3.629 3.280 13 HG3 GLU 2 2HG GLU 2 -13.963 3.042 3.637 14 H GLU 3 H GLU 3 -13.986 2.079 7.949 15 HA GLU 3 HA GLU 3 -12.284 3.274 9.927 16 HB2 GLU 3 1HB GLU 3 -14.693 2.900 10.205 17 HB3 GLU 3 2HB GLU 3 -14.408 1.143 10.226 18 HG2 GLU 3 1HG GLU 3 -13.050 1.437 12.360 19 HG3 GLU 3 2HG GLU 3 -13.387 3.173 12.168 20 H GLU 4 H GLU 4 -12.708 -0.119 8.926 21 HA GLU 4 HA GLU 4 -10.663 -1.080 10.770 22 HB2 GLU 4 1HB GLU 4 -11.975 -2.287 8.332 23 HB3 GLU 4 2HB GLU 4 -10.798 -3.136 9.364 24 HG2 GLU 4 1HG GLU 4 -12.406 -2.938 11.312 25 HG3 GLU 4 2HG GLU 4 -13.439 -2.013 10.199 26 H LEU 5 H LEU 5 -10.711 0.069 7.450 27 HA LEU 5 HA LEU 5 -8.004 -0.862 6.872 28 HB2 LEU 5 1HB LEU 5 -9.864 1.079 5.675 29 HB3 LEU 5 2HB LEU 5 -8.316 0.760 4.859 30 HG LEU 5 HG LEU 5 -10.571 -1.227 5.340 31 HD11 LEU 5 1HD1 LEU 5 -10.709 -1.252 2.835 32 HD12 LEU 5 2HD1 LEU 5 -10.999 0.380 3.481 33 HD13 LEU 5 3HD1 LEU 5 -9.422 -0.028 2.766 34 HD21 LEU 5 3HD2 LEU 5 -8.413 -2.308 5.563 35 HD22 LEU 5 1HD2 LEU 5 -9.195 -2.821 4.049 36 HD23 LEU 5 2HD2 LEU 5 -7.876 -1.624 4.009 37 H SER 6 H SER 6 -9.400 1.942 8.378 38 HA SER 6 HA SER 6 -7.115 3.714 8.349 39 HB2 SER 6 1HB SER 6 -9.256 4.427 8.962 40 HB3 SER 6 2HB SER 6 -9.226 3.370 10.392 41 HG SER 6 HG SER 6 -8.582 5.517 10.861 42 H GLU 7 H GLU 7 -8.121 1.050 10.531 43 HA GLU 7 HA GLU 7 -5.813 1.239 12.259 44 HB2 GLU 7 1HB GLU 7 -7.732 -1.010 11.644 45 HB3 GLU 7 2HB GLU 7 -6.449 -1.098 12.876 46 HG2 GLU 7 1HG GLU 7 -7.563 0.763 14.156 47 HG3 GLU 7 2HG GLU 7 -8.687 0.882 12.784 48 H CYS 8 H CYS 8 -6.544 -0.747 9.400 49 HA CYS 8 HA CYS 8 -4.139 -2.315 9.323 50 HB2 CYS 8 1HB CYS 8 -6.068 -1.159 7.267 51 HB3 CYS 8 2HB CYS 8 -4.844 -2.398 6.899 52 HG CYS 8 HG CYS 8 -5.733 -4.139 8.565 53 H PHE 9 H PHE 9 -4.949 0.902 7.966 54 HA PHE 9 HA PHE 9 -2.550 1.417 6.567 55 HB2 PHE 9 1HB PHE 9 -4.530 2.903 6.468 56 HB3 PHE 9 2HB PHE 9 -4.254 3.385 8.158 57 HD1 PHE 9 1HD PHE 9 -2.831 3.492 4.744 58 HD2 PHE 9 2HD PHE 9 -2.749 5.071 8.713 59 HE1 PHE 9 1HE PHE 9 -1.368 5.333 3.980 60 HE2 PHE 9 2HE PHE 9 -1.287 6.914 7.951 61 HZ PHE 9 HZ PHE 9 -0.596 7.043 5.583 62 H ARG 10 H ARG 10 -3.277 2.001 10.009 63 HA ARG 10 HA ARG 10 -0.650 3.041 10.616 64 HB2 ARG 10 1HB ARG 10 -2.798 1.904 12.337 65 HB3 ARG 10 2HB ARG 10 -1.234 2.489 12.950 66 HG2 ARG 10 1HG ARG 10 -1.705 4.722 12.059 67 HG3 ARG 10 2HG ARG 10 -3.259 4.143 11.411 68 HD2 ARG 10 1HD ARG 10 -4.053 3.732 13.642 69 HD3 ARG 10 2HD ARG 10 -2.489 4.252 14.310 70 HE ARG 10 HE ARG 10 -3.591 6.503 12.878 71 HH11 ARG 10 1HH1 ARG 10 -4.407 4.573 15.665 72 HH12 ARG 10 2HH1 ARG 10 -5.192 5.956 16.401 73 HH21 ARG 10 1HH2 ARG 10 -4.494 8.095 13.703 74 HH22 ARG 10 2HH2 ARG 10 -5.243 7.965 15.283 75 H ILE 11 H ILE 11 -2.033 -0.203 10.570 76 HA ILE 11 HA ILE 11 0.215 -1.506 11.855 77 HB ILE 11 HB ILE 11 -1.929 -2.514 9.936 78 HG12 ILE 11 1HG1 ILE 11 -1.553 -3.037 12.869 79 HG13 ILE 11 2HG1 ILE 11 -2.586 -1.751 12.204 80 HG21 ILE 11 1HG2 ILE 11 -1.166 -4.787 10.540 81 HG22 ILE 11 2HG2 ILE 11 0.121 -3.878 9.714 82 HG23 ILE 11 3HG2 ILE 11 0.172 -4.087 11.481 83 HD11 ILE 11 3HD1 ILE 11 -2.912 -4.730 11.704 84 HD12 ILE 11 1HD1 ILE 11 -3.913 -3.741 12.792 85 HD13 ILE 11 2HD1 ILE 11 -3.944 -3.443 11.038 86 H PHE 12 H PHE 12 -0.512 -0.767 8.473 87 HA PHE 12 HA PHE 12 1.864 -2.198 7.535 88 HB2 PHE 12 1HB PHE 12 -0.135 -0.335 6.195 89 HB3 PHE 12 2HB PHE 12 1.265 -1.030 5.347 90 HD1 PHE 12 2HD PHE 12 1.486 -3.659 5.649 91 HD2 PHE 12 1HD PHE 12 -2.124 -1.402 6.003 92 HE1 PHE 12 2HE PHE 12 0.169 -5.687 5.130 93 HE2 PHE 12 1HE PHE 12 -3.444 -3.427 5.489 94 HZ PHE 12 HZ PHE 12 -2.296 -5.570 5.052 95 H ASP 13 H ASP 13 1.098 1.082 8.503 96 HA ASP 13 HA ASP 13 3.681 2.159 7.678 97 HB2 ASP 13 1HB ASP 13 1.581 3.592 8.215 98 HB3 ASP 13 2HB ASP 13 1.878 2.984 9.863 99 H LYS 14 H LYS 14 4.943 0.293 8.397 100 HA LYS 14 HA LYS 14 5.138 -0.230 11.267 101 HB2 LYS 14 1HB LYS 14 6.767 -1.103 8.879 102 HB3 LYS 14 2HB LYS 14 7.099 -1.615 10.550 103 HG2 LYS 14 1HG LYS 14 4.950 -2.727 10.692 104 HG3 LYS 14 2HG LYS 14 4.486 -2.110 9.088 105 HD2 LYS 14 1HD LYS 14 6.239 -3.414 8.027 106 HD3 LYS 14 2HD LYS 14 6.846 -3.946 9.613 107 HE2 LYS 14 1HE LYS 14 4.871 -5.218 10.039 108 HE3 LYS 14 2HE LYS 14 4.036 -4.507 8.639 109 HZ1 LYS 14 3HZ LYS 14 6.387 -6.285 8.512 110 HZ2 LYS 14 1HZ LYS 14 4.834 -6.723 8.168 111 HZ3 LYS 14 2HZ LYS 14 5.613 -5.626 7.213 112 H ASP 15 H ASP 15 6.810 1.793 8.953 113 HA ASP 15 HA ASP 15 9.031 2.440 10.718 114 HB2 ASP 15 1HB ASP 15 7.890 3.893 8.256 115 HB3 ASP 15 2HB ASP 15 9.227 4.384 9.326 116 H GLY 16 H GLY 16 5.801 3.762 10.185 117 HA2 GLY 16 1HA GLY 16 4.555 5.002 11.746 118 HA3 GLY 16 2HA GLY 16 6.010 5.177 12.755 119 H ASN 17 H ASN 17 5.597 5.944 9.302 120 HA ASN 17 HA ASN 17 6.656 8.671 9.884 121 HB2 ASN 17 1HB ASN 17 6.533 7.268 7.110 122 HB3 ASN 17 2HB ASN 17 6.925 8.895 7.719 123 HD21 ASN 17 2HD2 ASN 17 8.442 6.591 6.398 124 HD22 ASN 17 1HD2 ASN 17 9.870 6.437 7.366 125 H GLY 18 H GLY 18 3.717 7.138 9.388 126 HA2 GLY 18 1HA GLY 18 1.632 8.290 9.391 127 HA3 GLY 18 2HA GLY 18 2.440 9.741 8.753 128 H PHE 19 H PHE 19 3.746 7.363 6.979 129 HA PHE 19 HA PHE 19 1.511 7.184 5.005 130 HB2 PHE 19 1HB PHE 19 4.342 8.119 4.355 131 HB3 PHE 19 2HB PHE 19 3.044 7.813 3.178 132 HD1 PHE 19 2HD PHE 19 1.125 9.300 3.029 133 HD2 PHE 19 1HD PHE 19 4.406 10.106 5.644 134 HE1 PHE 19 2HE PHE 19 0.385 11.651 3.231 135 HE2 PHE 19 1HE PHE 19 3.668 12.456 5.850 136 HZ PHE 19 HZ PHE 19 1.657 13.228 4.643 137 H ILE 20 H ILE 20 1.878 5.620 3.308 138 HA ILE 20 HA ILE 20 3.364 3.248 4.324 139 HB ILE 20 HB ILE 20 1.586 3.601 1.867 140 HG12 ILE 20 1HG1 ILE 20 0.320 3.909 3.863 141 HG13 ILE 20 2HG1 ILE 20 -0.081 2.359 3.089 142 HG21 ILE 20 1HG2 ILE 20 1.604 1.129 1.806 143 HG22 ILE 20 2HG2 ILE 20 3.248 1.786 1.631 144 HG23 ILE 20 3HG2 ILE 20 2.724 1.104 3.188 145 HD11 ILE 20 3HD1 ILE 20 1.716 2.723 5.512 146 HD12 ILE 20 1HD1 ILE 20 0.042 2.123 5.538 147 HD13 ILE 20 2HD1 ILE 20 1.315 1.172 4.736 148 H ASP 21 H ASP 21 5.304 2.770 3.842 149 HA ASP 21 HA ASP 21 6.687 4.212 1.680 150 HB2 ASP 21 1HB ASP 21 7.626 3.310 4.093 151 HB3 ASP 21 2HB ASP 21 7.787 1.890 3.033 152 H ARG 22 H ARG 22 8.175 2.944 0.240 153 HA ARG 22 HA ARG 22 6.567 1.332 -1.510 154 HB2 ARG 22 1HB ARG 22 8.388 2.679 -2.290 155 HB3 ARG 22 2HB ARG 22 9.537 1.624 -1.435 156 HG2 ARG 22 1HG ARG 22 8.823 -0.274 -2.837 157 HG3 ARG 22 2HG ARG 22 7.700 0.801 -3.706 158 HD2 ARG 22 1HD ARG 22 9.670 0.417 -4.995 159 HD3 ARG 22 2HD ARG 22 9.590 2.118 -4.478 160 HE ARG 22 HE ARG 22 11.687 1.717 -3.249 161 HH11 ARG 22 1HH1 ARG 22 10.290 -1.340 -4.180 162 HH12 ARG 22 2HH1 ARG 22 11.768 -2.161 -3.719 163 HH21 ARG 22 1HH2 ARG 22 13.383 0.790 -2.710 164 HH22 ARG 22 2HH2 ARG 22 13.532 -0.949 -2.880 165 H GLU 23 H GLU 23 9.126 0.460 0.812 166 HA GLU 23 HA GLU 23 8.912 -2.383 0.291 167 HB2 GLU 23 1HB GLU 23 9.997 -0.790 2.614 168 HB3 GLU 23 2HB GLU 23 10.083 -2.564 2.497 169 HG2 GLU 23 1HG GLU 23 11.512 -2.336 0.424 170 HG3 GLU 23 2HG GLU 23 11.241 -0.584 0.579 171 H GLU 24 H GLU 24 7.289 -0.162 2.489 172 HA GLU 24 HA GLU 24 5.940 -2.254 3.994 173 HB2 GLU 24 1HB GLU 24 5.370 0.683 3.587 174 HB3 GLU 24 2HB GLU 24 4.435 -0.380 4.666 175 HG2 GLU 24 1HG GLU 24 6.455 -0.725 6.100 176 HG3 GLU 24 2HG GLU 24 7.372 0.135 4.842 177 H PHE 25 H PHE 25 5.326 -0.584 0.985 178 HA PHE 25 HA PHE 25 2.512 -1.186 0.814 179 HB2 PHE 25 1HB PHE 25 3.505 0.545 -0.603 180 HB3 PHE 25 2HB PHE 25 4.580 -0.651 -1.361 181 HD1 PHE 25 1HD PHE 25 0.927 -0.160 -0.732 182 HD2 PHE 25 2HD PHE 25 4.008 -1.396 -3.419 183 HE1 PHE 25 1HE PHE 25 -0.769 -0.574 -2.483 184 HE2 PHE 25 2HE PHE 25 2.316 -1.808 -5.174 185 HZ PHE 25 HZ PHE 25 -0.074 -1.398 -4.704 186 H GLY 26 H GLY 26 5.419 -2.978 -0.068 187 HA2 GLY 26 1HA GLY 26 4.327 -4.983 -1.680 188 HA3 GLY 26 2HA GLY 26 5.673 -5.230 -0.543 189 H ASP 27 H ASP 27 4.350 -4.751 1.879 190 HA ASP 27 HA ASP 27 3.121 -7.279 2.412 191 HB2 ASP 27 1HB ASP 27 3.040 -4.663 4.031 192 HB3 ASP 27 2HB ASP 27 2.352 -6.258 4.422 193 H ILE 28 H ILE 28 1.781 -4.184 1.433 194 HA ILE 28 HA ILE 28 -0.991 -4.982 1.988 195 HB ILE 28 HB ILE 28 0.184 -2.700 0.334 196 HG12 ILE 28 1HG1 ILE 28 -1.134 -2.588 3.030 197 HG13 ILE 28 2HG1 ILE 28 0.623 -2.737 2.793 198 HG21 ILE 28 1HG2 ILE 28 -2.097 -1.752 0.412 199 HG22 ILE 28 2HG2 ILE 28 -2.085 -3.321 -0.425 200 HG23 ILE 28 3HG2 ILE 28 -2.676 -3.212 1.249 201 HD11 ILE 28 3HD1 ILE 28 -1.118 -0.458 1.791 202 HD12 ILE 28 1HD1 ILE 28 -0.024 -0.393 3.191 203 HD13 ILE 28 2HD1 ILE 28 0.638 -0.608 1.554 204 H ILE 29 H ILE 29 0.946 -4.629 -0.986 205 HA ILE 29 HA ILE 29 -1.366 -5.361 -2.628 206 HB ILE 29 HB ILE 29 0.604 -3.830 -3.329 207 HG12 ILE 29 1HG1 ILE 29 0.576 -4.678 -5.647 208 HG13 ILE 29 2HG1 ILE 29 -0.294 -6.115 -5.062 209 HG21 ILE 29 1HG2 ILE 29 2.533 -5.010 -4.326 210 HG22 ILE 29 2HG2 ILE 29 2.416 -5.335 -2.581 211 HG23 ILE 29 3HG2 ILE 29 1.880 -6.563 -3.752 212 HD11 ILE 29 3HD1 ILE 29 -1.268 -3.243 -4.867 213 HD12 ILE 29 1HD1 ILE 29 -1.848 -4.462 -6.023 214 HD13 ILE 29 2HD1 ILE 29 -2.139 -4.680 -4.282 215 H ARG 30 H ARG 30 1.058 -7.120 -0.970 216 HA ARG 30 HA ARG 30 0.962 -9.462 -2.712 217 HB2 ARG 30 1HB ARG 30 2.075 -8.966 -0.001 218 HB3 ARG 30 2HB ARG 30 1.989 -10.588 -0.725 219 HG2 ARG 30 1HG ARG 30 3.391 -9.885 -2.575 220 HG3 ARG 30 2HG ARG 30 3.394 -8.208 -1.974 221 HD2 ARG 30 1HD ARG 30 4.590 -8.929 0.005 222 HD3 ARG 30 2HD ARG 30 4.600 -10.597 -0.614 223 HE ARG 30 HE ARG 30 5.999 -9.101 -2.582 224 HH11 ARG 30 1HH1 ARG 30 6.369 -9.525 0.860 225 HH12 ARG 30 2HH1 ARG 30 8.102 -9.311 0.707 226 HH21 ARG 30 1HH2 ARG 30 7.982 -8.845 -2.773 227 HH22 ARG 30 2HH2 ARG 30 9.022 -8.921 -1.364 228 H LEU 31 H LEU 31 -1.161 -8.132 -0.425 229 HA LEU 31 HA LEU 31 -2.250 -10.502 0.747 230 HB2 LEU 31 1HB LEU 31 -3.359 -7.877 0.015 231 HB3 LEU 31 2HB LEU 31 -4.353 -8.984 0.990 232 HG LEU 31 HG LEU 31 -1.672 -7.795 1.803 233 HD11 LEU 31 1HD1 LEU 31 -3.027 -6.541 3.502 234 HD12 LEU 31 2HD1 LEU 31 -3.531 -6.135 1.844 235 HD13 LEU 31 3HD1 LEU 31 -4.509 -7.255 2.825 236 HD21 LEU 31 3HD2 LEU 31 -1.986 -10.023 2.707 237 HD22 LEU 31 1HD2 LEU 31 -2.129 -8.814 4.006 238 HD23 LEU 31 2HD2 LEU 31 -3.591 -9.575 3.332 239 H THR 32 H THR 32 -2.926 -8.880 -2.322 240 HA THR 32 HA THR 32 -4.445 -11.343 -3.112 241 HB THR 32 HB THR 32 -5.800 -9.949 -4.623 242 HG1 THR 32 1HG THR 32 -5.630 -7.640 -4.390 243 HG21 THR 32 1HG2 THR 32 -7.153 -8.771 -2.924 244 HG22 THR 32 2HG2 THR 32 -6.647 -10.375 -2.341 245 HG23 THR 32 3HG2 THR 32 -5.815 -8.913 -1.760 246 H GLY 33 H GLY 33 -1.789 -9.321 -3.642 247 HA2 GLY 33 1HA GLY 33 -1.503 -10.327 -6.443 248 HA3 GLY 33 2HA GLY 33 -0.711 -8.875 -5.790 249 H GLU 34 H GLU 34 -1.017 -12.085 -4.283 250 HA GLU 34 HA GLU 34 1.814 -12.186 -3.648 251 HB2 GLU 34 1HB GLU 34 1.361 -14.333 -2.745 252 HB3 GLU 34 2HB GLU 34 0.030 -13.237 -2.296 253 HG2 GLU 34 1HG GLU 34 -0.279 -15.085 -4.712 254 HG3 GLU 34 2HG GLU 34 -0.443 -15.632 -3.028 255 H GLN 35 H GLN 35 0.062 -12.861 -6.471 256 HA GLN 35 HA GLN 35 2.153 -14.729 -7.475 257 HB2 GLN 35 1HB GLN 35 -0.381 -13.678 -8.753 258 HB3 GLN 35 2HB GLN 35 0.723 -14.881 -9.458 259 HG2 GLN 35 1HG GLN 35 -1.120 -15.445 -6.976 260 HG3 GLN 35 2HG GLN 35 -1.093 -15.854 -8.707 261 HE21 GLN 35 2HE2 GLN 35 -0.341 -16.924 -5.650 262 HE22 GLN 35 1HE2 GLN 35 0.841 -18.126 -6.049 263 H LEU 36 H LEU 36 1.958 -11.529 -7.063 264 HA LEU 36 HA LEU 36 3.045 -10.796 -9.731 265 HB2 LEU 36 1HB LEU 36 2.525 -9.276 -7.259 266 HB3 LEU 36 2HB LEU 36 2.994 -8.448 -8.761 267 HG LEU 36 HG LEU 36 0.412 -9.971 -8.237 268 HD11 LEU 36 1HD1 LEU 36 -0.651 -7.725 -8.587 269 HD12 LEU 36 2HD1 LEU 36 0.494 -7.692 -7.227 270 HD13 LEU 36 3HD1 LEU 36 0.964 -7.011 -8.802 271 HD21 LEU 36 3HD2 LEU 36 1.164 -10.339 -10.512 272 HD22 LEU 36 1HD2 LEU 36 -0.257 -9.268 -10.508 273 HD23 LEU 36 2HD2 LEU 36 1.371 -8.589 -10.758 274 H THR 37 H THR 37 5.023 -9.735 -10.013 275 HA THR 37 HA THR 37 7.136 -10.791 -8.236 276 HB THR 37 HB THR 37 8.697 -9.953 -9.890 277 HG1 THR 37 1HG THR 37 7.719 -8.820 -11.773 278 HG21 THR 37 1HG2 THR 37 7.906 -11.122 -11.917 279 HG22 THR 37 2HG2 THR 37 7.535 -12.060 -10.451 280 HG23 THR 37 3HG2 THR 37 6.252 -11.135 -11.264 281 H ASP 38 H ASP 38 8.948 -9.397 -7.601 282 HA ASP 38 HA ASP 38 8.026 -7.191 -5.997 283 HB2 ASP 38 1HB ASP 38 10.873 -8.038 -6.802 284 HB3 ASP 38 2HB ASP 38 10.354 -6.673 -5.783 285 H GLU 39 H GLU 39 9.381 -7.395 -9.238 286 HA GLU 39 HA GLU 39 9.636 -4.537 -9.621 287 HB2 GLU 39 1HB GLU 39 9.217 -6.841 -11.528 288 HB3 GLU 39 2HB GLU 39 9.459 -5.153 -12.042 289 HG2 GLU 39 1HG GLU 39 11.757 -5.180 -10.998 290 HG3 GLU 39 2HG GLU 39 11.342 -6.808 -10.414 291 H ASP 40 H ASP 40 7.001 -6.853 -10.210 292 HA ASP 40 HA ASP 40 5.114 -4.982 -11.250 293 HB2 ASP 40 1HB ASP 40 4.627 -7.508 -9.558 294 HB3 ASP 40 2HB ASP 40 3.459 -6.416 -10.342 295 H VAL 41 H VAL 41 5.970 -5.805 -7.908 296 HA VAL 41 HA VAL 41 3.935 -4.185 -6.646 297 HB VAL 41 HB VAL 41 6.706 -5.021 -5.692 298 HG11 VAL 41 1HG1 VAL 41 5.872 -4.435 -3.440 299 HG12 VAL 41 2HG1 VAL 41 5.896 -3.009 -4.504 300 HG13 VAL 41 3HG1 VAL 41 4.357 -3.836 -4.155 301 HG21 VAL 41 3HG2 VAL 41 5.245 -6.905 -6.123 302 HG22 VAL 41 1HG2 VAL 41 5.496 -6.686 -4.376 303 HG23 VAL 41 2HG2 VAL 41 3.968 -6.167 -5.126 304 H ASP 42 H ASP 42 7.263 -3.431 -7.640 305 HA ASP 42 HA ASP 42 7.194 -0.739 -6.607 306 HB2 ASP 42 1HB ASP 42 8.946 -1.989 -8.808 307 HB3 ASP 42 2HB ASP 42 8.967 -0.338 -8.143 308 H GLU 43 H GLU 43 6.317 -2.151 -9.730 309 HA GLU 43 HA GLU 43 5.875 0.362 -11.072 310 HB2 GLU 43 1HB GLU 43 4.814 -2.429 -11.490 311 HB3 GLU 43 2HB GLU 43 4.382 -1.056 -12.538 312 HG2 GLU 43 1HG GLU 43 6.791 -0.812 -13.211 313 HG3 GLU 43 2HG GLU 43 7.144 -2.057 -11.991 314 H ILE 44 H ILE 44 3.702 -1.806 -9.269 315 HA ILE 44 HA ILE 44 1.346 -0.163 -9.658 316 HB ILE 44 HB ILE 44 2.078 -2.211 -7.517 317 HG12 ILE 44 1HG1 ILE 44 0.161 -2.437 -9.818 318 HG13 ILE 44 2HG1 ILE 44 1.859 -2.964 -9.877 319 HG21 ILE 44 1HG2 ILE 44 -0.325 -2.189 -6.937 320 HG22 ILE 44 2HG2 ILE 44 0.416 -0.596 -6.659 321 HG23 ILE 44 3HG2 ILE 44 -0.594 -0.868 -8.098 322 HD11 ILE 44 3HD1 ILE 44 -0.267 -4.019 -7.978 323 HD12 ILE 44 1HD1 ILE 44 0.354 -4.860 -9.416 324 HD13 ILE 44 2HD1 ILE 44 1.432 -4.544 -8.035 325 H PHE 45 H PHE 45 3.823 -0.242 -7.129 326 HA PHE 45 HA PHE 45 2.676 1.716 -5.421 327 HB2 PHE 45 1HB PHE 45 4.695 0.405 -4.827 328 HB3 PHE 45 2HB PHE 45 5.620 1.265 -6.079 329 HD1 PHE 45 1HD PHE 45 3.924 1.587 -2.827 330 HD2 PHE 45 2HD PHE 45 6.460 3.439 -5.725 331 HE1 PHE 45 1HE PHE 45 4.526 3.333 -1.183 332 HE2 PHE 45 2HE PHE 45 7.066 5.185 -4.083 333 HZ PHE 45 HZ PHE 45 6.097 5.132 -1.811 334 H GLY 46 H GLY 46 4.860 2.175 -8.210 335 HA2 GLY 46 1HA GLY 46 4.911 5.029 -8.007 336 HA3 GLY 46 2HA GLY 46 5.327 4.072 -9.447 337 H ASP 47 H ASP 47 2.761 2.753 -9.657 338 HA ASP 47 HA ASP 47 1.320 4.748 -11.185 339 HB2 ASP 47 1HB ASP 47 0.545 1.895 -10.330 340 HB3 ASP 47 2HB ASP 47 -0.405 3.083 -11.255 341 H SER 48 H SER 48 0.921 3.370 -7.955 342 HA SER 48 HA SER 48 -1.666 4.690 -7.432 343 HB2 SER 48 1HB SER 48 -1.510 3.872 -5.306 344 HB3 SER 48 2HB SER 48 -1.077 2.600 -6.471 345 HG SER 48 HG SER 48 0.738 4.153 -4.940 346 H ASP 49 H ASP 49 1.742 5.494 -7.195 347 HA ASP 49 HA ASP 49 1.276 7.773 -5.383 348 HB2 ASP 49 1HB ASP 49 3.505 6.395 -5.498 349 HB3 ASP 49 2HB ASP 49 3.592 7.171 -7.099 350 H THR 50 H THR 50 -0.428 8.700 -6.711 351 HA THR 50 HA THR 50 0.122 9.699 -9.358 352 HB THR 50 HB THR 50 -1.922 10.629 -7.296 353 HG1 THR 50 1HG THR 50 -2.186 8.446 -7.969 354 HG21 THR 50 1HG2 THR 50 -3.100 11.593 -9.241 355 HG22 THR 50 2HG2 THR 50 -1.491 12.326 -9.039 356 HG23 THR 50 3HG2 THR 50 -1.758 11.098 -10.300 357 H ASP 51 H ASP 51 0.494 11.089 -6.129 358 HA ASP 51 HA ASP 51 1.121 13.748 -7.219 359 HB2 ASP 51 1HB ASP 51 1.249 12.647 -4.346 360 HB3 ASP 51 2HB ASP 51 1.700 14.254 -4.968 361 H LYS 52 H LYS 52 2.815 10.886 -6.951 362 HA LYS 52 HA LYS 52 5.080 10.373 -7.082 363 HB2 LYS 52 1HB LYS 52 5.217 13.202 -8.140 364 HB3 LYS 52 2HB LYS 52 6.494 11.969 -8.278 365 HG2 LYS 52 1HG LYS 52 5.001 10.575 -9.653 366 HG3 LYS 52 2HG LYS 52 3.724 11.806 -9.515 367 HD2 LYS 52 1HD LYS 52 5.213 13.448 -10.620 368 HD3 LYS 52 2HD LYS 52 6.449 12.182 -10.803 369 HE2 LYS 52 1HE LYS 52 4.946 10.868 -12.196 370 HE3 LYS 52 2HE LYS 52 3.647 12.059 -11.958 371 HZ1 LYS 52 3HZ LYS 52 6.216 12.573 -13.315 372 HZ2 LYS 52 1HZ LYS 52 4.760 12.367 -14.063 373 HZ3 LYS 52 2HZ LYS 52 5.011 13.678 -13.094 374 H ASN 53 H ASN 53 4.305 10.997 -4.567 375 HA ASN 53 HA ASN 53 6.274 12.966 -3.510 376 HB2 ASN 53 1HB ASN 53 3.969 11.575 -1.947 377 HB3 ASN 53 2HB ASN 53 5.368 12.598 -1.532 378 HD21 ASN 53 2HD2 ASN 53 2.337 12.899 -1.480 379 HD22 ASN 53 1HD2 ASN 53 2.062 14.438 -2.227 380 H GLY 54 H GLY 54 6.070 9.667 -4.148 381 HA2 GLY 54 1HA GLY 54 7.756 8.077 -3.718 382 HA3 GLY 54 2HA GLY 54 8.458 9.161 -2.495 383 H ARG 55 H ARG 55 5.164 9.055 -2.016 384 HA ARG 55 HA ARG 55 5.248 6.657 -0.249 385 HB2 ARG 55 1HB ARG 55 4.586 9.402 0.717 386 HB3 ARG 55 2HB ARG 55 4.269 7.883 1.586 387 HG2 ARG 55 1HG ARG 55 7.028 8.794 0.724 388 HG3 ARG 55 2HG ARG 55 6.329 9.133 2.326 389 HD2 ARG 55 1HD ARG 55 6.094 6.695 2.651 390 HD3 ARG 55 2HD ARG 55 6.992 6.464 1.132 391 HE ARG 55 HE ARG 55 8.255 7.258 3.709 392 HH11 ARG 55 1HH1 ARG 55 8.630 7.019 0.251 393 HH12 ARG 55 2HH1 ARG 55 10.371 7.107 0.427 394 HH21 ARG 55 1HH2 ARG 55 10.248 7.350 3.928 395 HH22 ARG 55 2HH2 ARG 55 11.296 7.294 2.524 396 H ILE 56 H ILE 56 3.237 5.853 0.391 397 HA ILE 56 HA ILE 56 0.918 6.914 -1.202 398 HB ILE 56 HB ILE 56 1.435 4.161 0.011 399 HG12 ILE 56 1HG1 ILE 56 1.050 5.009 -2.849 400 HG13 ILE 56 2HG1 ILE 56 2.614 4.675 -2.071 401 HG21 ILE 56 1HG2 ILE 56 -0.755 3.540 -0.952 402 HG22 ILE 56 2HG2 ILE 56 -0.933 4.823 0.267 403 HG23 ILE 56 3HG2 ILE 56 -1.009 5.225 -1.465 404 HD11 ILE 56 3HD1 ILE 56 0.350 2.681 -2.442 405 HD12 ILE 56 1HD1 ILE 56 1.849 2.744 -3.396 406 HD13 ILE 56 2HD1 ILE 56 1.915 2.347 -1.662 407 H ASP 57 H ASP 57 -0.558 8.004 -0.272 408 HA ASP 57 HA ASP 57 -0.640 8.081 2.688 409 HB2 ASP 57 1HB ASP 57 -2.033 10.078 2.395 410 HB3 ASP 57 2HB ASP 57 -0.642 10.020 1.284 411 H PHE 58 H PHE 58 -3.157 8.597 3.332 412 HA PHE 58 HA PHE 58 -4.172 5.890 3.502 413 HB2 PHE 58 1HB PHE 58 -4.395 7.664 5.304 414 HB3 PHE 58 2HB PHE 58 -5.608 8.460 4.276 415 HD1 PHE 58 1HD PHE 58 -5.342 4.811 4.413 416 HD2 PHE 58 2HD PHE 58 -7.309 8.281 5.943 417 HE1 PHE 58 1HE PHE 58 -7.107 3.379 5.386 418 HE2 PHE 58 2HE PHE 58 -9.074 6.853 6.921 419 HZ PHE 58 HZ PHE 58 -8.973 4.401 6.639 420 H ASP 59 H ASP 59 -5.129 8.755 1.657 421 HA ASP 59 HA ASP 59 -7.619 7.735 0.693 422 HB2 ASP 59 1HB ASP 59 -5.685 9.771 -0.565 423 HB3 ASP 59 2HB ASP 59 -7.265 9.204 -1.163 424 H GLU 60 H GLU 60 -4.339 7.519 -0.676 425 HA GLU 60 HA GLU 60 -5.252 5.869 -2.915 426 HB2 GLU 60 1HB GLU 60 -2.508 6.463 -1.798 427 HB3 GLU 60 2HB GLU 60 -2.827 5.527 -3.278 428 HG2 GLU 60 1HG GLU 60 -3.443 8.514 -2.866 429 HG3 GLU 60 2HG GLU 60 -2.181 7.718 -3.834 430 H PHE 61 H PHE 61 -3.909 5.303 0.292 431 HA PHE 61 HA PHE 61 -3.418 2.517 0.097 432 HB2 PHE 61 1HB PHE 61 -2.804 3.732 2.110 433 HB3 PHE 61 2HB PHE 61 -4.499 4.176 2.413 434 HD1 PHE 61 1HD PHE 61 -2.039 1.444 2.453 435 HD2 PHE 61 2HD PHE 61 -6.016 2.668 3.425 436 HE1 PHE 61 1HE PHE 61 -2.317 -0.575 3.851 437 HE2 PHE 61 2HE PHE 61 -6.297 0.650 4.827 438 HZ PHE 61 HZ PHE 61 -4.446 -0.973 5.037 439 H LEU 62 H LEU 62 -6.470 4.225 0.774 440 HA LEU 62 HA LEU 62 -8.032 1.836 1.109 441 HB2 LEU 62 1HB LEU 62 -8.621 4.587 0.246 442 HB3 LEU 62 2HB LEU 62 -9.976 3.473 0.542 443 HG LEU 62 HG LEU 62 -7.927 4.374 2.605 444 HD11 LEU 62 1HD1 LEU 62 -9.857 5.610 3.625 445 HD12 LEU 62 2HD1 LEU 62 -9.522 6.185 1.976 446 HD13 LEU 62 3HD1 LEU 62 -10.888 5.084 2.275 447 HD21 LEU 62 3HD2 LEU 62 -8.720 2.121 3.019 448 HD22 LEU 62 1HD2 LEU 62 -9.393 3.234 4.233 449 HD23 LEU 62 2HD2 LEU 62 -10.411 2.661 2.889 450 H LYS 63 H LYS 63 -7.116 3.710 -1.732 451 HA LYS 63 HA LYS 63 -8.836 2.270 -3.567 452 HB2 LYS 63 1HB LYS 63 -6.286 3.839 -3.962 453 HB3 LYS 63 2HB LYS 63 -7.264 3.158 -5.283 454 HG2 LYS 63 1HG LYS 63 -9.159 4.561 -4.633 455 HG3 LYS 63 2HG LYS 63 -8.228 5.212 -3.263 456 HD2 LYS 63 1HD LYS 63 -6.538 6.071 -4.904 457 HD3 LYS 63 2HD LYS 63 -7.622 5.553 -6.218 458 HE2 LYS 63 1HE LYS 63 -9.360 7.048 -5.439 459 HE3 LYS 63 2HE LYS 63 -8.393 7.487 -4.013 460 HZ1 LYS 63 3HZ LYS 63 -7.669 8.057 -6.816 461 HZ2 LYS 63 1HZ LYS 63 -8.249 9.157 -5.733 462 HZ3 LYS 63 2HZ LYS 63 -6.772 8.464 -5.493 463 H MET 64 H MET 64 -5.609 1.719 -2.277 464 HA MET 64 HA MET 64 -5.076 -0.540 -4.062 465 HB2 MET 64 1HB MET 64 -3.821 0.393 -1.482 466 HB3 MET 64 2HB MET 64 -3.239 -0.984 -2.451 467 HG2 MET 64 1HG MET 64 -3.402 1.896 -3.395 468 HG3 MET 64 2HG MET 64 -1.924 1.080 -2.831 469 HE1 MET 64 3HE MET 64 -3.669 2.282 -5.819 470 HE2 MET 64 1HE MET 64 -3.788 0.930 -6.972 471 HE3 MET 64 2HE MET 64 -4.827 0.961 -5.527 472 H MET 65 H MET 65 -6.520 -0.082 -0.893 473 HA MET 65 HA MET 65 -6.736 -3.009 -0.483 474 HB2 MET 65 1HB MET 65 -7.685 -0.614 1.085 475 HB3 MET 65 2HB MET 65 -7.992 -2.305 1.549 476 HG2 MET 65 1HG MET 65 -5.264 -1.005 1.259 477 HG3 MET 65 2HG MET 65 -6.103 -1.321 2.797 478 HE1 MET 65 3HE MET 65 -7.382 -4.121 2.529 479 HE2 MET 65 1HE MET 65 -6.068 -5.190 3.074 480 HE3 MET 65 2HE MET 65 -6.362 -3.645 3.909 481 H GLU 66 H GLU 66 -8.390 -0.660 -2.204 482 HA GLU 66 HA GLU 66 -11.113 -1.358 -1.843 483 HB2 GLU 66 1HB GLU 66 -10.284 0.506 -3.221 484 HB3 GLU 66 2HB GLU 66 -9.674 -0.670 -4.411 485 HG2 GLU 66 1HG GLU 66 -12.063 -1.420 -4.836 486 HG3 GLU 66 2HG GLU 66 -12.512 -0.255 -3.570 487 H ASN 67 H ASN 67 -8.588 -2.973 -3.727 488 HA ASN 67 HA ASN 67 -10.580 -4.995 -4.635 489 HB2 ASN 67 1HB ASN 67 -7.639 -4.692 -5.607 490 HB3 ASN 67 2HB ASN 67 -8.954 -5.873 -5.825 491 HD21 ASN 67 2HD2 ASN 67 -7.462 -3.848 -7.571 492 HD22 ASN 67 1HD2 ASN 67 -8.732 -3.041 -8.430 493 H VAL 68 H VAL 68 -8.970 -4.543 -1.901 494 HA VAL 68 HA VAL 68 -8.186 -7.438 -1.599 495 HB VAL 68 HB VAL 68 -7.376 -5.010 0.056 496 HG11 VAL 68 1HG1 VAL 68 -5.836 -6.597 1.160 497 HG12 VAL 68 2HG1 VAL 68 -7.531 -7.098 1.370 498 HG13 VAL 68 3HG1 VAL 68 -6.500 -7.925 0.177 499 HG21 VAL 68 3HG2 VAL 68 -6.325 -4.968 -2.126 500 HG22 VAL 68 1HG2 VAL 68 -5.139 -5.366 -0.860 501 HG23 VAL 68 2HG2 VAL 68 -5.778 -6.649 -1.916 502 H GLN 69 H GLN 69 -9.552 -4.788 0.370 503 HA GLN 69 HA GLN 69 -10.783 -6.713 2.182 504 HB2 GLN 69 1HB GLN 69 -10.030 -4.500 2.916 505 HB3 GLN 69 2HB GLN 69 -11.201 -3.739 1.814 506 HG2 GLN 69 1HG GLN 69 -12.451 -3.748 4.055 507 HG3 GLN 69 2HG GLN 69 -12.854 -5.043 2.903 508 HE21 GLN 69 2HE2 GLN 69 -13.685 -6.310 4.622 509 HE22 GLN 69 1HE2 GLN 69 -12.630 -7.137 5.720 Start of MODEL 20 1 H1 SER 1 1H SER 1 -17.178 0.972 4.957 2 H2 SER 1 2H SER 1 -17.017 0.323 6.300 3 H3 SER 1 3H SER 1 -16.423 1.676 6.045 4 HA SER 1 HA SER 1 -15.051 -0.845 5.585 5 HB2 SER 1 1HB SER 1 -15.453 0.761 3.134 6 HB3 SER 1 2HB SER 1 -14.359 -0.621 3.364 7 HG SER 1 HG SER 1 -16.368 -1.222 2.445 8 H GLU 2 H GLU 2 -15.087 2.677 4.966 9 HA GLU 2 HA GLU 2 -12.231 2.971 4.785 10 HB2 GLU 2 1HB GLU 2 -14.451 4.905 5.452 11 HB3 GLU 2 2HB GLU 2 -12.744 5.378 5.276 12 HG2 GLU 2 1HG GLU 2 -12.801 4.634 2.864 13 HG3 GLU 2 2HG GLU 2 -14.453 4.067 3.204 14 H GLU 3 H GLU 3 -14.451 2.900 7.496 15 HA GLU 3 HA GLU 3 -12.629 3.963 9.461 16 HB2 GLU 3 1HB GLU 3 -14.976 2.075 9.653 17 HB3 GLU 3 2HB GLU 3 -14.078 2.692 11.061 18 HG2 GLU 3 1HG GLU 3 -14.783 5.040 10.461 19 HG3 GLU 3 2HG GLU 3 -15.516 4.322 9.009 20 H GLU 4 H GLU 4 -13.172 0.709 8.186 21 HA GLU 4 HA GLU 4 -11.172 -0.454 10.007 22 HB2 GLU 4 1HB GLU 4 -12.612 -1.540 7.583 23 HB3 GLU 4 2HB GLU 4 -11.496 -2.470 8.610 24 HG2 GLU 4 1HG GLU 4 -13.085 -2.160 10.563 25 HG3 GLU 4 2HG GLU 4 -14.057 -1.174 9.445 26 H LEU 5 H LEU 5 -11.270 0.905 6.792 27 HA LEU 5 HA LEU 5 -8.716 -0.149 5.928 28 HB2 LEU 5 1HB LEU 5 -10.657 1.831 5.180 29 HB3 LEU 5 2HB LEU 5 -9.052 2.234 4.528 30 HG LEU 5 HG LEU 5 -9.033 0.441 3.076 31 HD11 LEU 5 1HD1 LEU 5 -10.393 -1.642 3.405 32 HD12 LEU 5 2HD1 LEU 5 -9.386 -1.294 4.831 33 HD13 LEU 5 3HD1 LEU 5 -11.126 -0.915 4.855 34 HD21 LEU 5 3HD2 LEU 5 -10.841 1.916 2.417 35 HD22 LEU 5 1HD2 LEU 5 -11.246 0.234 1.999 36 HD23 LEU 5 2HD2 LEU 5 -11.991 1.003 3.422 37 H SER 6 H SER 6 -9.698 2.665 7.800 38 HA SER 6 HA SER 6 -7.127 4.021 7.878 39 HB2 SER 6 1HB SER 6 -7.946 5.288 9.535 40 HB3 SER 6 2HB SER 6 -9.285 4.988 8.405 41 HG SER 6 HG SER 6 -9.996 3.356 9.877 42 H GLU 7 H GLU 7 -8.602 1.342 9.691 43 HA GLU 7 HA GLU 7 -6.471 1.189 11.675 44 HB2 GLU 7 1HB GLU 7 -8.581 -0.768 10.759 45 HB3 GLU 7 2HB GLU 7 -7.433 -1.076 12.085 46 HG2 GLU 7 1HG GLU 7 -8.432 0.836 13.384 47 HG3 GLU 7 2HG GLU 7 -9.412 1.158 11.936 48 H CYS 8 H CYS 8 -7.199 -0.537 8.648 49 HA CYS 8 HA CYS 8 -4.939 -2.319 8.616 50 HB2 CYS 8 1HB CYS 8 -6.625 -0.880 6.523 51 HB3 CYS 8 2HB CYS 8 -5.503 -2.215 6.161 52 HG CYS 8 HG CYS 8 -6.659 -3.938 7.673 53 H PHE 9 H PHE 9 -5.374 1.070 7.563 54 HA PHE 9 HA PHE 9 -2.788 1.387 6.354 55 HB2 PHE 9 1HB PHE 9 -4.673 2.987 6.027 56 HB3 PHE 9 2HB PHE 9 -4.524 3.484 7.727 57 HD1 PHE 9 1HD PHE 9 -2.595 3.269 4.550 58 HD2 PHE 9 2HD PHE 9 -3.145 5.218 8.313 59 HE1 PHE 9 1HE PHE 9 -0.936 4.983 3.903 60 HE2 PHE 9 2HE PHE 9 -1.488 6.936 7.668 61 HZ PHE 9 HZ PHE 9 -0.382 6.817 5.462 62 H ARG 10 H ARG 10 -3.929 2.063 9.666 63 HA ARG 10 HA ARG 10 -1.372 3.004 10.604 64 HB2 ARG 10 1HB ARG 10 -3.763 1.959 12.039 65 HB3 ARG 10 2HB ARG 10 -2.273 2.499 12.849 66 HG2 ARG 10 1HG ARG 10 -2.546 4.736 11.907 67 HG3 ARG 10 2HG ARG 10 -4.001 4.205 11.029 68 HD2 ARG 10 1HD ARG 10 -5.139 3.828 13.116 69 HD3 ARG 10 2HD ARG 10 -3.678 4.311 14.012 70 HE ARG 10 HE ARG 10 -4.506 6.573 12.407 71 HH11 ARG 10 1HH1 ARG 10 -5.713 4.715 15.100 72 HH12 ARG 10 2HH1 ARG 10 -6.543 6.131 15.712 73 HH21 ARG 10 1HH2 ARG 10 -5.457 8.202 13.092 74 HH22 ARG 10 2HH2 ARG 10 -6.399 8.121 14.569 75 H ILE 11 H ILE 11 -2.828 -0.198 10.385 76 HA ILE 11 HA ILE 11 -0.748 -1.519 11.949 77 HB ILE 11 HB ILE 11 -2.799 -2.544 9.938 78 HG12 ILE 11 1HG1 ILE 11 -2.653 -2.949 12.909 79 HG13 ILE 11 2HG1 ILE 11 -3.559 -1.632 12.129 80 HG21 ILE 11 1HG2 ILE 11 -2.172 -4.807 10.707 81 HG22 ILE 11 2HG2 ILE 11 -0.796 -3.992 9.931 82 HG23 ILE 11 3HG2 ILE 11 -0.874 -4.110 11.703 83 HD11 ILE 11 3HD1 ILE 11 -4.028 -4.605 11.710 84 HD12 ILE 11 1HD1 ILE 11 -5.039 -3.519 12.690 85 HD13 ILE 11 2HD1 ILE 11 -4.934 -3.287 10.929 86 H PHE 12 H PHE 12 -1.276 -1.076 8.462 87 HA PHE 12 HA PHE 12 1.006 -2.742 7.783 88 HB2 PHE 12 1HB PHE 12 -0.678 -0.784 6.167 89 HB3 PHE 12 2HB PHE 12 0.628 -1.775 5.477 90 HD1 PHE 12 1HD PHE 12 -0.266 -4.057 7.613 91 HD2 PHE 12 2HD PHE 12 -2.105 -1.856 4.446 92 HE1 PHE 12 1HE PHE 12 -1.859 -5.912 7.249 93 HE2 PHE 12 2HE PHE 12 -3.701 -3.707 4.081 94 HZ PHE 12 HZ PHE 12 -3.577 -5.737 5.484 95 H ASP 13 H ASP 13 0.504 0.724 8.231 96 HA ASP 13 HA ASP 13 3.330 1.290 7.579 97 HB2 ASP 13 1HB ASP 13 1.358 2.970 7.173 98 HB3 ASP 13 2HB ASP 13 1.333 2.964 8.954 99 H LYS 14 H LYS 14 4.173 -0.290 9.096 100 HA LYS 14 HA LYS 14 3.635 -0.016 11.933 101 HB2 LYS 14 1HB LYS 14 5.806 -1.427 10.380 102 HB3 LYS 14 2HB LYS 14 5.628 -1.508 12.148 103 HG2 LYS 14 1HG LYS 14 3.408 -2.528 11.887 104 HG3 LYS 14 2HG LYS 14 3.570 -2.434 10.116 105 HD2 LYS 14 1HD LYS 14 5.548 -3.907 10.227 106 HD3 LYS 14 2HD LYS 14 5.359 -4.016 11.993 107 HE2 LYS 14 1HE LYS 14 3.160 -5.045 11.714 108 HE3 LYS 14 2HE LYS 14 3.299 -4.897 9.948 109 HZ1 LYS 14 3HZ LYS 14 5.057 -6.517 11.675 110 HZ2 LYS 14 1HZ LYS 14 3.863 -7.105 10.702 111 HZ3 LYS 14 2HZ LYS 14 5.188 -6.379 10.037 112 H ASP 15 H ASP 15 5.988 1.369 9.739 113 HA ASP 15 HA ASP 15 7.772 2.334 11.819 114 HB2 ASP 15 1HB ASP 15 7.425 3.192 8.884 115 HB3 ASP 15 2HB ASP 15 8.528 3.840 10.123 116 H GLY 16 H GLY 16 4.753 3.423 10.516 117 HA2 GLY 16 1HA GLY 16 3.413 5.195 11.207 118 HA3 GLY 16 2HA GLY 16 4.641 5.617 12.424 119 H ASN 17 H ASN 17 5.120 5.277 8.921 120 HA ASN 17 HA ASN 17 6.515 7.848 8.844 121 HB2 ASN 17 1HB ASN 17 5.929 5.931 6.463 122 HB3 ASN 17 2HB ASN 17 6.670 7.538 6.660 123 HD21 ASN 17 2HD2 ASN 17 7.718 4.876 5.794 124 HD22 ASN 17 1HD2 ASN 17 9.111 4.604 6.788 125 H GLY 18 H GLY 18 3.281 6.767 8.280 126 HA2 GLY 18 1HA GLY 18 1.450 8.291 8.066 127 HA3 GLY 18 2HA GLY 18 2.563 9.520 7.423 128 H PHE 19 H PHE 19 2.897 6.296 6.223 129 HA PHE 19 HA PHE 19 1.072 6.367 4.022 130 HB2 PHE 19 1HB PHE 19 2.612 6.978 2.192 131 HB3 PHE 19 2HB PHE 19 2.414 8.342 3.316 132 HD1 PHE 19 1HD PHE 19 4.684 5.651 2.216 133 HD2 PHE 19 2HD PHE 19 4.230 9.224 4.515 134 HE1 PHE 19 1HE PHE 19 7.140 5.808 2.455 135 HE2 PHE 19 2HE PHE 19 6.685 9.385 4.754 136 HZ PHE 19 HZ PHE 19 8.140 7.674 3.724 137 H ILE 20 H ILE 20 1.619 4.802 2.316 138 HA ILE 20 HA ILE 20 3.264 2.564 3.458 139 HB ILE 20 HB ILE 20 1.169 2.528 1.236 140 HG12 ILE 20 1HG1 ILE 20 0.135 3.018 3.330 141 HG13 ILE 20 2HG1 ILE 20 -0.257 1.367 2.793 142 HG21 ILE 20 1HG2 ILE 20 1.346 0.073 1.466 143 HG22 ILE 20 2HG2 ILE 20 2.911 0.787 1.010 144 HG23 ILE 20 3HG2 ILE 20 2.621 0.278 2.690 145 HD11 ILE 20 3HD1 ILE 20 1.788 2.109 4.915 146 HD12 ILE 20 1HD1 ILE 20 0.170 1.437 5.218 147 HD13 ILE 20 2HD1 ILE 20 1.398 0.458 4.377 148 H ASP 21 H ASP 21 5.193 2.290 2.797 149 HA ASP 21 HA ASP 21 5.944 3.225 0.069 150 HB2 ASP 21 1HB ASP 21 8.261 3.025 0.827 151 HB3 ASP 21 2HB ASP 21 7.199 3.786 2.036 152 H ARG 22 H ARG 22 7.911 1.612 -0.682 153 HA ARG 22 HA ARG 22 6.269 -0.518 -1.822 154 HB2 ARG 22 1HB ARG 22 9.129 0.221 -2.248 155 HB3 ARG 22 2HB ARG 22 8.269 -1.094 -3.083 156 HG2 ARG 22 1HG ARG 22 6.713 0.506 -4.063 157 HG3 ARG 22 2HG ARG 22 7.495 1.838 -3.176 158 HD2 ARG 22 1HD ARG 22 8.840 0.124 -5.238 159 HD3 ARG 22 2HD ARG 22 8.089 1.705 -5.552 160 HE ARG 22 HE ARG 22 10.148 2.091 -3.553 161 HH11 ARG 22 1HH1 ARG 22 9.912 1.188 -6.913 162 HH12 ARG 22 2HH1 ARG 22 11.486 1.896 -7.220 163 HH21 ARG 22 1HH2 ARG 22 11.954 2.899 -3.887 164 HH22 ARG 22 2HH2 ARG 22 12.653 2.870 -5.495 165 H GLU 23 H GLU 23 8.506 -0.263 0.796 166 HA GLU 23 HA GLU 23 9.184 -3.109 0.858 167 HB2 GLU 23 1HB GLU 23 9.462 -0.871 2.866 168 HB3 GLU 23 2HB GLU 23 10.026 -2.537 3.137 169 HG2 GLU 23 1HG GLU 23 11.621 -2.275 1.178 170 HG3 GLU 23 2HG GLU 23 10.903 -0.660 0.982 171 H GLU 24 H GLU 24 6.863 -1.004 2.521 172 HA GLU 24 HA GLU 24 5.824 -3.183 4.169 173 HB2 GLU 24 1HB GLU 24 4.757 -0.442 3.477 174 HB3 GLU 24 2HB GLU 24 3.988 -1.571 4.620 175 HG2 GLU 24 1HG GLU 24 6.722 -0.204 4.977 176 HG3 GLU 24 2HG GLU 24 5.175 0.048 5.818 177 H PHE 25 H PHE 25 4.969 -1.707 1.077 178 HA PHE 25 HA PHE 25 2.465 -3.039 0.708 179 HB2 PHE 25 1HB PHE 25 3.245 -1.179 -0.741 180 HB3 PHE 25 2HB PHE 25 4.529 -2.226 -1.386 181 HD1 PHE 25 1HD PHE 25 0.861 -1.779 -1.164 182 HD2 PHE 25 2HD PHE 25 4.126 -3.706 -3.133 183 HE1 PHE 25 1HE PHE 25 -0.675 -2.574 -2.931 184 HE2 PHE 25 2HE PHE 25 2.594 -4.500 -4.903 185 HZ PHE 25 HZ PHE 25 0.191 -3.935 -4.800 186 H GLY 26 H GLY 26 5.784 -4.052 -0.083 187 HA2 GLY 26 1HA GLY 26 5.199 -6.532 -1.277 188 HA3 GLY 26 2HA GLY 26 6.649 -6.185 -0.307 189 H ASP 27 H ASP 27 5.406 -5.647 2.166 190 HA ASP 27 HA ASP 27 4.938 -8.340 3.143 191 HB2 ASP 27 1HB ASP 27 4.642 -5.604 4.522 192 HB3 ASP 27 2HB ASP 27 4.326 -7.232 5.172 193 H ILE 28 H ILE 28 2.858 -5.607 2.325 194 HA ILE 28 HA ILE 28 0.427 -6.686 3.432 195 HB ILE 28 HB ILE 28 0.935 -4.782 1.104 196 HG12 ILE 28 1HG1 ILE 28 -0.111 -4.240 3.869 197 HG13 ILE 28 2HG1 ILE 28 1.592 -4.076 3.382 198 HG21 ILE 28 1HG2 ILE 28 -1.472 -4.239 1.247 199 HG22 ILE 28 2HG2 ILE 28 -1.226 -5.946 0.810 200 HG23 ILE 28 3HG2 ILE 28 -1.687 -5.512 2.472 201 HD11 ILE 28 3HD1 ILE 28 -0.749 -2.536 2.208 202 HD12 ILE 28 1HD1 ILE 28 0.447 -1.895 3.357 203 HD13 ILE 28 2HD1 ILE 28 0.954 -2.373 1.720 204 H ILE 29 H ILE 29 1.857 -7.011 0.198 205 HA ILE 29 HA ILE 29 -0.307 -8.840 -0.631 206 HB ILE 29 HB ILE 29 0.984 -9.061 -2.710 207 HG12 ILE 29 1HG1 ILE 29 3.085 -7.383 -1.363 208 HG13 ILE 29 2HG1 ILE 29 3.175 -9.141 -1.627 209 HG21 ILE 29 1HG2 ILE 29 1.016 -6.697 -3.430 210 HG22 ILE 29 2HG2 ILE 29 -0.432 -7.050 -2.459 211 HG23 ILE 29 3HG2 ILE 29 0.937 -6.177 -1.731 212 HD11 ILE 29 3HD1 ILE 29 2.997 -7.024 -3.800 213 HD12 ILE 29 1HD1 ILE 29 4.463 -7.919 -3.335 214 HD13 ILE 29 2HD1 ILE 29 3.086 -8.783 -4.062 215 H ARG 30 H ARG 30 2.772 -9.108 0.908 216 HA ARG 30 HA ARG 30 3.151 -11.930 0.458 217 HB2 ARG 30 1HB ARG 30 4.891 -10.515 1.297 218 HB3 ARG 30 2HB ARG 30 3.969 -10.267 2.799 219 HG2 ARG 30 1HG ARG 30 4.159 -12.624 3.352 220 HG3 ARG 30 2HG ARG 30 4.971 -12.951 1.802 221 HD2 ARG 30 1HD ARG 30 6.855 -11.631 2.485 222 HD3 ARG 30 2HD ARG 30 6.038 -11.221 4.011 223 HE ARG 30 HE ARG 30 6.410 -14.115 3.868 224 HH11 ARG 30 1HH1 ARG 30 8.248 -11.188 4.332 225 HH12 ARG 30 2HH1 ARG 30 9.412 -12.066 5.304 226 HH21 ARG 30 1HH2 ARG 30 7.739 -15.136 4.972 227 HH22 ARG 30 2HH2 ARG 30 9.123 -14.318 5.669 228 H LEU 31 H LEU 31 1.135 -10.095 2.687 229 HA LEU 31 HA LEU 31 0.423 -12.441 4.274 230 HB2 LEU 31 1HB LEU 31 -0.693 -9.740 3.920 231 HB3 LEU 31 2HB LEU 31 -1.382 -10.809 5.164 232 HG LEU 31 HG LEU 31 1.472 -9.756 5.077 233 HD11 LEU 31 1HD1 LEU 31 0.791 -8.476 7.126 234 HD12 LEU 31 2HD1 LEU 31 -0.199 -8.021 5.720 235 HD13 LEU 31 3HD1 LEU 31 -0.860 -9.116 6.957 236 HD21 LEU 31 3HD2 LEU 31 1.366 -11.984 6.029 237 HD22 LEU 31 1HD2 LEU 31 1.700 -10.793 7.308 238 HD23 LEU 31 2HD2 LEU 31 0.067 -11.480 7.138 239 H THR 32 H THR 32 -0.679 -11.029 1.317 240 HA THR 32 HA THR 32 -3.296 -12.435 1.504 241 HB THR 32 HB THR 32 -3.858 -11.234 -0.569 242 HG1 THR 32 1HG THR 32 -2.362 -9.947 -1.582 243 HG21 THR 32 1HG2 THR 32 -3.795 -8.925 0.307 244 HG22 THR 32 2HG2 THR 32 -4.226 -10.085 1.587 245 HG23 THR 32 3HG2 THR 32 -2.580 -9.415 1.511 246 H GLY 33 H GLY 33 -0.162 -12.870 0.214 247 HA2 GLY 33 1HA GLY 33 0.640 -14.822 -0.812 248 HA3 GLY 33 2HA GLY 33 -1.034 -15.382 -1.033 249 H GLU 34 H GLU 34 0.091 -12.187 -1.995 250 HA GLU 34 HA GLU 34 -0.447 -12.946 -4.844 251 HB2 GLU 34 1HB GLU 34 -0.540 -10.299 -3.395 252 HB3 GLU 34 2HB GLU 34 -0.686 -10.484 -5.160 253 HG2 GLU 34 1HG GLU 34 -2.799 -11.849 -4.803 254 HG3 GLU 34 2HG GLU 34 -2.479 -11.640 -3.066 255 H GLN 35 H GLN 35 1.210 -13.273 -6.077 256 HA GLN 35 HA GLN 35 3.845 -12.166 -5.269 257 HB2 GLN 35 1HB GLN 35 3.035 -14.138 -7.416 258 HB3 GLN 35 2HB GLN 35 4.704 -13.643 -7.049 259 HG2 GLN 35 1HG GLN 35 2.941 -15.356 -5.088 260 HG3 GLN 35 2HG GLN 35 4.242 -15.664 -6.260 261 HE21 GLN 35 2HE2 GLN 35 3.508 -15.045 -3.047 262 HE22 GLN 35 1HE2 GLN 35 5.078 -14.561 -2.496 263 H LEU 36 H LEU 36 3.971 -10.089 -5.812 264 HA LEU 36 HA LEU 36 3.511 -9.426 -8.697 265 HB2 LEU 36 1HB LEU 36 3.759 -7.758 -6.279 266 HB3 LEU 36 2HB LEU 36 3.438 -7.025 -7.866 267 HG LEU 36 HG LEU 36 1.592 -8.845 -6.273 268 HD11 LEU 36 1HD1 LEU 36 0.094 -6.833 -6.256 269 HD12 LEU 36 2HD1 LEU 36 1.659 -6.480 -5.488 270 HD13 LEU 36 3HD1 LEU 36 1.335 -5.921 -7.146 271 HD21 LEU 36 3HD2 LEU 36 1.434 -9.356 -8.639 272 HD22 LEU 36 1HD2 LEU 36 -0.036 -8.510 -8.101 273 HD23 LEU 36 2HD2 LEU 36 1.208 -7.633 -9.025 274 H THR 37 H THR 37 5.007 -8.276 -9.866 275 HA THR 37 HA THR 37 7.796 -8.744 -9.010 276 HB THR 37 HB THR 37 8.412 -8.052 -11.251 277 HG1 THR 37 1HG THR 37 6.598 -7.401 -12.683 278 HG21 THR 37 1HG2 THR 37 7.116 -9.658 -12.609 279 HG22 THR 37 2HG2 THR 37 7.522 -10.345 -11.018 280 HG23 THR 37 3HG2 THR 37 5.879 -9.739 -11.334 281 H ASP 38 H ASP 38 9.423 -7.023 -9.464 282 HA ASP 38 HA ASP 38 8.927 -4.694 -7.881 283 HB2 ASP 38 1HB ASP 38 11.109 -5.237 -9.983 284 HB3 ASP 38 2HB ASP 38 10.866 -3.802 -8.958 285 H GLU 39 H GLU 39 8.656 -5.266 -11.360 286 HA GLU 39 HA GLU 39 8.099 -2.499 -12.024 287 HB2 GLU 39 1HB GLU 39 7.500 -5.112 -13.412 288 HB3 GLU 39 2HB GLU 39 7.135 -3.510 -14.099 289 HG2 GLU 39 1HG GLU 39 9.598 -2.969 -14.112 290 HG3 GLU 39 2HG GLU 39 9.824 -4.527 -13.285 291 H ASP 40 H ASP 40 6.059 -5.302 -11.250 292 HA ASP 40 HA ASP 40 3.532 -4.065 -11.659 293 HB2 ASP 40 1HB ASP 40 4.346 -6.200 -9.594 294 HB3 ASP 40 2HB ASP 40 2.738 -5.523 -9.955 295 H VAL 41 H VAL 41 5.612 -4.080 -8.766 296 HA VAL 41 HA VAL 41 3.796 -2.485 -7.153 297 HB VAL 41 HB VAL 41 6.808 -2.910 -6.967 298 HG11 VAL 41 1HG1 VAL 41 6.566 -2.055 -4.660 299 HG12 VAL 41 2HG1 VAL 41 6.099 -0.820 -5.853 300 HG13 VAL 41 3HG1 VAL 41 4.845 -1.719 -4.964 301 HG21 VAL 41 3HG2 VAL 41 5.551 -4.966 -6.707 302 HG22 VAL 41 1HG2 VAL 41 6.249 -4.450 -5.153 303 HG23 VAL 41 2HG2 VAL 41 4.517 -4.200 -5.477 304 H ASP 42 H ASP 42 6.517 -1.644 -9.264 305 HA ASP 42 HA ASP 42 6.526 1.144 -8.532 306 HB2 ASP 42 1HB ASP 42 7.581 -0.284 -11.046 307 HB3 ASP 42 2HB ASP 42 7.624 1.450 -10.641 308 H GLU 43 H GLU 43 4.732 -0.710 -10.932 309 HA GLU 43 HA GLU 43 3.597 1.615 -12.252 310 HB2 GLU 43 1HB GLU 43 2.797 -1.289 -12.080 311 HB3 GLU 43 2HB GLU 43 1.879 -0.075 -13.005 312 HG2 GLU 43 1HG GLU 43 3.866 0.299 -14.493 313 HG3 GLU 43 2HG GLU 43 4.761 -0.768 -13.387 314 H ILE 44 H ILE 44 2.477 -0.530 -9.643 315 HA ILE 44 HA ILE 44 -0.061 0.789 -9.260 316 HB ILE 44 HB ILE 44 1.716 -0.813 -7.369 317 HG12 ILE 44 1HG1 ILE 44 -0.882 -1.556 -8.679 318 HG13 ILE 44 2HG1 ILE 44 0.724 -1.940 -9.344 319 HG21 ILE 44 1HG2 ILE 44 -0.252 -0.918 -5.879 320 HG22 ILE 44 2HG2 ILE 44 0.302 0.759 -6.090 321 HG23 ILE 44 3HG2 ILE 44 -1.134 0.180 -6.966 322 HD11 ILE 44 3HD1 ILE 44 -0.357 -2.864 -6.658 323 HD12 ILE 44 1HD1 ILE 44 -0.216 -3.862 -8.122 324 HD13 ILE 44 2HD1 ILE 44 1.249 -3.247 -7.322 325 H PHE 45 H PHE 45 3.117 1.337 -7.777 326 HA PHE 45 HA PHE 45 2.131 3.493 -6.092 327 HB2 PHE 45 1HB PHE 45 4.840 2.399 -6.846 328 HB3 PHE 45 2HB PHE 45 4.724 3.995 -6.071 329 HD1 PHE 45 1HD PHE 45 3.406 0.524 -5.639 330 HD2 PHE 45 2HD PHE 45 4.878 4.094 -3.813 331 HE1 PHE 45 1HE PHE 45 3.284 -0.563 -3.421 332 HE2 PHE 45 2HE PHE 45 4.761 3.010 -1.594 333 HZ PHE 45 HZ PHE 45 3.962 0.681 -1.399 334 H GLY 46 H GLY 46 3.678 3.326 -9.275 335 HA2 GLY 46 1HA GLY 46 4.207 6.073 -9.631 336 HA3 GLY 46 2HA GLY 46 3.848 4.923 -10.939 337 H ASP 47 H ASP 47 1.227 4.212 -10.222 338 HA ASP 47 HA ASP 47 -0.223 6.443 -11.380 339 HB2 ASP 47 1HB ASP 47 -1.210 3.778 -10.195 340 HB3 ASP 47 2HB ASP 47 -2.155 5.123 -10.880 341 H SER 48 H SER 48 0.250 5.242 -8.111 342 HA SER 48 HA SER 48 -1.826 7.169 -7.053 343 HB2 SER 48 1HB SER 48 -0.687 4.672 -5.973 344 HB3 SER 48 2HB SER 48 -1.595 5.865 -5.016 345 HG SER 48 HG SER 48 -3.347 5.561 -6.369 346 H ASP 49 H ASP 49 1.204 7.540 -7.902 347 HA ASP 49 HA ASP 49 2.412 8.369 -5.348 348 HB2 ASP 49 1HB ASP 49 3.765 7.494 -7.405 349 HB3 ASP 49 2HB ASP 49 3.181 9.018 -8.119 350 H THR 50 H THR 50 1.586 10.020 -4.317 351 HA THR 50 HA THR 50 0.126 12.115 -5.737 352 HB THR 50 HB THR 50 0.953 11.893 -2.812 353 HG1 THR 50 1HG THR 50 -1.242 11.232 -2.575 354 HG21 THR 50 1HG2 THR 50 -0.782 13.610 -2.435 355 HG22 THR 50 2HG2 THR 50 0.503 14.223 -3.503 356 HG23 THR 50 3HG2 THR 50 -1.058 13.717 -4.189 357 H ASP 51 H ASP 51 3.231 11.945 -3.995 358 HA ASP 51 HA ASP 51 3.706 14.791 -4.822 359 HB2 ASP 51 1HB ASP 51 5.047 15.035 -2.744 360 HB3 ASP 51 2HB ASP 51 3.386 14.432 -2.522 361 H LYS 52 H LYS 52 4.318 12.172 -6.215 362 HA LYS 52 HA LYS 52 6.058 11.364 -7.528 363 HB2 LYS 52 1HB LYS 52 7.143 14.150 -7.090 364 HB3 LYS 52 2HB LYS 52 7.656 13.001 -8.349 365 HG2 LYS 52 1HG LYS 52 5.419 13.099 -9.360 366 HG3 LYS 52 2HG LYS 52 4.891 14.233 -8.094 367 HD2 LYS 52 1HD LYS 52 6.633 15.835 -8.840 368 HD3 LYS 52 2HD LYS 52 7.081 14.710 -10.144 369 HE2 LYS 52 1HE LYS 52 4.845 14.885 -11.101 370 HE3 LYS 52 2HE LYS 52 4.336 15.946 -9.767 371 HZ1 LYS 52 3HZ LYS 52 6.425 16.572 -11.754 372 HZ2 LYS 52 1HZ LYS 52 4.901 17.201 -11.736 373 HZ3 LYS 52 2HZ LYS 52 5.954 17.556 -10.517 374 H ASN 53 H ASN 53 6.225 10.631 -4.881 375 HA ASN 53 HA ASN 53 9.188 10.721 -4.402 376 HB2 ASN 53 1HB ASN 53 7.504 12.013 -2.570 377 HB3 ASN 53 2HB ASN 53 7.304 10.256 -2.369 378 HD21 ASN 53 2HD2 ASN 53 8.060 10.679 -0.207 379 HD22 ASN 53 1HD2 ASN 53 9.765 10.751 0.097 380 H GLY 54 H GLY 54 6.953 8.805 -5.567 381 HA2 GLY 54 1HA GLY 54 6.900 6.510 -5.847 382 HA3 GLY 54 2HA GLY 54 8.471 6.437 -5.015 383 H ARG 55 H ARG 55 5.251 7.544 -3.917 384 HA ARG 55 HA ARG 55 5.128 5.305 -1.969 385 HB2 ARG 55 1HB ARG 55 4.846 6.627 -0.079 386 HB3 ARG 55 2HB ARG 55 6.410 6.994 -0.840 387 HG2 ARG 55 1HG ARG 55 5.442 9.054 -1.799 388 HG3 ARG 55 2HG ARG 55 3.898 8.690 -0.990 389 HD2 ARG 55 1HD ARG 55 5.057 8.825 1.167 390 HD3 ARG 55 2HD ARG 55 6.531 9.324 0.302 391 HE ARG 55 HE ARG 55 5.459 11.546 -0.012 392 HH11 ARG 55 1HH1 ARG 55 3.221 9.285 1.415 393 HH12 ARG 55 2HH1 ARG 55 2.159 10.607 1.859 394 HH21 ARG 55 1HH2 ARG 55 4.250 13.070 0.482 395 HH22 ARG 55 2HH2 ARG 55 2.745 12.767 1.327 396 H ILE 56 H ILE 56 3.096 5.115 -0.883 397 HA ILE 56 HA ILE 56 0.853 6.469 -2.365 398 HB ILE 56 HB ILE 56 0.996 3.636 -1.237 399 HG12 ILE 56 1HG1 ILE 56 0.594 4.603 -4.056 400 HG13 ILE 56 2HG1 ILE 56 2.118 3.984 -3.380 401 HG21 ILE 56 1HG2 ILE 56 -1.321 3.410 -2.067 402 HG22 ILE 56 2HG2 ILE 56 -1.207 4.677 -0.824 403 HG23 ILE 56 3HG2 ILE 56 -1.318 5.125 -2.542 404 HD11 ILE 56 3HD1 ILE 56 -0.475 2.423 -3.639 405 HD12 ILE 56 1HD1 ILE 56 0.953 2.248 -4.683 406 HD13 ILE 56 2HD1 ILE 56 1.049 1.804 -2.963 407 H ASP 57 H ASP 57 -0.253 7.810 -1.270 408 HA ASP 57 HA ASP 57 -0.097 7.785 1.678 409 HB2 ASP 57 1HB ASP 57 -1.188 9.978 1.544 410 HB3 ASP 57 2HB ASP 57 0.073 9.739 0.309 411 H PHE 58 H PHE 58 -2.382 8.589 2.640 412 HA PHE 58 HA PHE 58 -3.790 6.079 2.826 413 HB2 PHE 58 1HB PHE 58 -3.659 7.596 4.749 414 HB3 PHE 58 2HB PHE 58 -4.524 8.858 3.844 415 HD1 PHE 58 1HD PHE 58 -4.924 5.330 4.991 416 HD2 PHE 58 2HD PHE 58 -6.775 9.079 4.109 417 HE1 PHE 58 1HE PHE 58 -7.076 4.467 5.847 418 HE2 PHE 58 2HE PHE 58 -8.929 8.220 4.968 419 HZ PHE 58 HZ PHE 58 -9.078 5.912 5.836 420 H ASP 59 H ASP 59 -4.503 9.130 1.171 421 HA ASP 59 HA ASP 59 -7.207 8.559 0.485 422 HB2 ASP 59 1HB ASP 59 -5.114 10.263 -0.997 423 HB3 ASP 59 2HB ASP 59 -6.829 9.990 -1.394 424 H GLU 60 H GLU 60 -4.179 7.635 -1.100 425 HA GLU 60 HA GLU 60 -5.695 6.196 -3.209 426 HB2 GLU 60 1HB GLU 60 -2.736 6.499 -2.671 427 HB3 GLU 60 2HB GLU 60 -3.449 5.622 -4.046 428 HG2 GLU 60 1HG GLU 60 -3.714 8.650 -3.553 429 HG3 GLU 60 2HG GLU 60 -2.654 7.774 -4.681 430 H PHE 61 H PHE 61 -4.109 5.585 -0.181 431 HA PHE 61 HA PHE 61 -3.786 2.756 -0.385 432 HB2 PHE 61 1HB PHE 61 -2.923 4.080 1.524 433 HB3 PHE 61 2HB PHE 61 -4.590 4.424 2.039 434 HD1 PHE 61 1HD PHE 61 -2.120 1.709 1.536 435 HD2 PHE 61 2HD PHE 61 -5.772 2.943 3.378 436 HE1 PHE 61 1HE PHE 61 -2.117 -0.344 2.912 437 HE2 PHE 61 2HE PHE 61 -5.771 0.892 4.759 438 HZ PHE 61 HZ PHE 61 -3.943 -0.753 4.523 439 H LEU 62 H LEU 62 -6.647 4.734 0.212 440 HA LEU 62 HA LEU 62 -8.443 2.649 0.929 441 HB2 LEU 62 1HB LEU 62 -8.742 5.113 -0.654 442 HB3 LEU 62 2HB LEU 62 -10.198 4.237 -0.129 443 HG LEU 62 HG LEU 62 -8.122 5.524 1.687 444 HD11 LEU 62 1HD1 LEU 62 -9.986 7.099 2.276 445 HD12 LEU 62 2HD1 LEU 62 -9.592 7.181 0.542 446 HD13 LEU 62 3HD1 LEU 62 -11.029 6.283 1.088 447 HD21 LEU 62 3HD2 LEU 62 -9.060 3.519 2.675 448 HD22 LEU 62 1HD2 LEU 62 -9.679 4.958 3.520 449 HD23 LEU 62 2HD2 LEU 62 -10.712 4.096 2.352 450 H LYS 63 H LYS 63 -7.050 3.499 -2.158 451 HA LYS 63 HA LYS 63 -8.815 1.644 -3.623 452 HB2 LYS 63 1HB LYS 63 -6.255 3.024 -4.447 453 HB3 LYS 63 2HB LYS 63 -7.363 2.127 -5.512 454 HG2 LYS 63 1HG LYS 63 -9.135 3.778 -5.059 455 HG3 LYS 63 2HG LYS 63 -8.023 4.677 -3.999 456 HD2 LYS 63 1HD LYS 63 -6.469 4.848 -6.017 457 HD3 LYS 63 2HD LYS 63 -7.837 4.263 -6.994 458 HE2 LYS 63 1HE LYS 63 -9.178 6.154 -6.389 459 HE3 LYS 63 2HE LYS 63 -7.992 6.677 -5.171 460 HZ1 LYS 63 3HZ LYS 63 -7.545 6.621 -8.087 461 HZ2 LYS 63 1HZ LYS 63 -7.830 7.973 -7.186 462 HZ3 LYS 63 2HZ LYS 63 -6.445 7.106 -6.958 463 H MET 64 H MET 64 -5.539 1.662 -2.285 464 HA MET 64 HA MET 64 -4.598 -0.780 -3.358 465 HB2 MET 64 1HB MET 64 -3.290 0.817 -2.014 466 HB3 MET 64 2HB MET 64 -4.201 0.312 -0.570 467 HG2 MET 64 1HG MET 64 -3.342 -2.010 -0.922 468 HG3 MET 64 2HG MET 64 -2.325 -1.386 -2.243 469 HE1 MET 64 3HE MET 64 -1.440 1.453 -1.127 470 HE2 MET 64 1HE MET 64 0.101 1.041 -0.335 471 HE3 MET 64 2HE MET 64 -0.320 0.306 -1.902 472 H MET 65 H MET 65 -6.689 -0.228 -0.534 473 HA MET 65 HA MET 65 -6.529 -2.976 0.367 474 HB2 MET 65 1HB MET 65 -8.442 -0.717 0.940 475 HB3 MET 65 2HB MET 65 -8.529 -2.314 1.724 476 HG2 MET 65 1HG MET 65 -6.269 -0.299 1.904 477 HG3 MET 65 2HG MET 65 -7.405 -0.753 3.196 478 HE1 MET 65 3HE MET 65 -7.634 -3.886 2.884 479 HE2 MET 65 1HE MET 65 -6.351 -4.440 3.987 480 HE3 MET 65 2HE MET 65 -7.391 -3.069 4.447 481 H GLU 66 H GLU 66 -8.407 -1.371 -2.051 482 HA GLU 66 HA GLU 66 -10.492 -3.371 -2.263 483 HB2 GLU 66 1HB GLU 66 -9.299 -1.439 -4.256 484 HB3 GLU 66 2HB GLU 66 -10.701 -2.486 -4.585 485 HG2 GLU 66 1HG GLU 66 -11.987 -1.291 -2.759 486 HG3 GLU 66 2HG GLU 66 -10.481 -0.392 -2.463 487 H ASN 67 H ASN 67 -7.191 -3.148 -3.436 488 HA ASN 67 HA ASN 67 -7.501 -5.634 -5.017 489 HB2 ASN 67 1HB ASN 67 -4.879 -4.020 -4.572 490 HB3 ASN 67 2HB ASN 67 -5.357 -5.527 -5.390 491 HD21 ASN 67 2HD2 ASN 67 -4.271 -2.869 -6.306 492 HD22 ASN 67 1HD2 ASN 67 -5.335 -2.388 -7.585 493 H VAL 68 H VAL 68 -6.345 -4.595 -1.879 494 HA VAL 68 HA VAL 68 -4.918 -7.033 -1.205 495 HB VAL 68 HB VAL 68 -6.296 -4.963 0.557 496 HG11 VAL 68 1HG1 VAL 68 -4.919 -5.920 2.375 497 HG12 VAL 68 2HG1 VAL 68 -6.033 -7.137 1.706 498 HG13 VAL 68 3HG1 VAL 68 -4.310 -7.165 1.257 499 HG21 VAL 68 3HG2 VAL 68 -4.506 -4.014 -0.770 500 HG22 VAL 68 1HG2 VAL 68 -4.037 -4.116 0.943 501 HG23 VAL 68 2HG2 VAL 68 -3.396 -5.296 -0.226 502 H GLN 69 H GLN 69 -5.548 -8.961 -0.845 503 HA GLN 69 HA GLN 69 -8.362 -9.653 -0.853 504 HB2 GLN 69 1HB GLN 69 -6.558 -11.109 -1.709 505 HB3 GLN 69 2HB GLN 69 -5.940 -11.280 -0.050 506 HG2 GLN 69 1HG GLN 69 -8.225 -12.550 0.540 507 HG3 GLN 69 2HG GLN 69 -8.539 -11.969 -1.112 508 HE21 GLN 69 2HE2 GLN 69 -8.818 -14.658 -0.289 509 HE22 GLN 69 1HE2 GLN 69 -7.635 -15.608 -1.125
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