NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12073 | 1siy | 6089 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 13.342 0.964 4.797 2 2H MET 1 2HT MET 1 13.104 0.166 3.319 3 3H MET 1 3HT MET 1 13.721 -0.685 4.649 4 HA MET 1 HA MET 1 11.015 0.513 4.459 5 1HB MET 1 2HB MET 1 11.189 -1.407 2.998 6 2HB MET 1 1HB MET 1 11.956 -2.354 4.268 7 1HG MET 1 2HG MET 1 9.213 -1.237 4.671 8 2HG MET 1 1HG MET 1 9.448 -2.709 3.726 9 1HE MET 1 1HE MET 1 8.064 -3.813 7.314 10 2HE MET 1 2HE MET 1 7.682 -3.711 5.595 11 3HE MET 1 3HE MET 1 7.753 -2.244 6.572 12 H THR 2 H THR 2 10.144 0.960 6.274 13 HA THR 2 HA THR 2 10.506 -0.928 8.488 14 HB THR 2 HB THR 2 10.005 0.901 10.078 15 HG1 THR 2 1HG THR 2 10.482 2.790 8.026 16 1HG2 THR 2 1HG2 THR 2 12.145 2.103 9.944 17 2HG2 THR 2 2HG2 THR 2 12.375 1.506 8.299 18 3HG2 THR 2 3HG2 THR 2 12.354 0.375 9.653 19 H CYS 3 H CYS 3 8.453 -0.793 9.956 20 HA CYS 3 HA CYS 3 6.172 -0.976 8.201 21 1HB CYS 3 2HB CYS 3 6.741 -2.343 10.409 22 2HB CYS 3 1HB CYS 3 5.853 -1.023 11.168 23 H GLY 4 H GLY 4 7.749 1.568 9.036 24 1HA GLY 4 2HA GLY 4 5.373 3.234 9.605 25 2HA GLY 4 1HA GLY 4 7.042 3.725 9.897 26 H GLN 5 H GLN 5 7.887 2.446 7.397 27 HA GLN 5 HA GLN 5 7.612 4.534 5.537 28 1HB GLN 5 2HB GLN 5 9.417 2.755 5.618 29 2HB GLN 5 1HB GLN 5 8.248 1.635 4.937 30 1HG GLN 5 2HG GLN 5 8.075 3.001 2.938 31 2HG GLN 5 1HG GLN 5 9.195 4.173 3.630 32 1HE2 GLN 5 1HE2 GLN 5 8.864 1.019 2.193 33 2HE2 GLN 5 2HE2 GLN 5 10.562 0.746 1.933 34 H VAL 6 H VAL 6 6.059 1.368 5.847 35 HA VAL 6 HA VAL 6 4.246 1.642 3.684 36 HB VAL 6 HB VAL 6 4.028 0.004 6.230 37 1HG1 VAL 6 1HG1 VAL 6 2.305 -1.301 5.109 38 2HG1 VAL 6 2HG1 VAL 6 2.365 -0.211 3.721 39 3HG1 VAL 6 3HG1 VAL 6 1.798 0.382 5.283 40 1HG2 VAL 6 1HG2 VAL 6 4.618 -1.856 4.734 41 2HG2 VAL 6 2HG2 VAL 6 5.887 -0.635 4.854 42 3HG2 VAL 6 3HG2 VAL 6 4.850 -0.694 3.427 43 H GLN 7 H GLN 7 4.160 2.766 7.014 44 HA GLN 7 HA GLN 7 1.436 3.442 7.110 45 1HB GLN 7 2HB GLN 7 3.843 4.535 8.545 46 2HB GLN 7 1HB GLN 7 2.229 5.191 8.812 47 1HG GLN 7 2HG GLN 7 3.041 2.325 9.231 48 2HG GLN 7 1HG GLN 7 2.850 3.538 10.497 49 1HE2 GLN 7 1HE2 GLN 7 0.818 4.165 11.120 50 2HE2 GLN 7 2HE2 GLN 7 -0.617 3.329 10.638 51 H GLY 8 H GLY 8 4.270 5.282 5.984 52 1HA GLY 8 2HA GLY 8 2.798 7.620 5.361 53 2HA GLY 8 1HA GLY 8 4.352 7.186 4.676 54 H ASN 9 H ASN 9 2.810 4.577 3.912 55 HA ASN 9 HA ASN 9 1.748 5.467 1.362 56 1HB ASN 9 2HB ASN 9 3.072 3.397 1.457 57 2HB ASN 9 1HB ASN 9 1.977 2.728 2.654 58 1HD2 ASN 9 1HD2 ASN 9 2.790 1.724 0.042 59 2HD2 ASN 9 2HD2 ASN 9 1.324 1.484 -0.849 60 H LEU 10 H LEU 10 0.497 3.405 3.996 61 HA LEU 10 HA LEU 10 -2.155 3.678 2.944 62 1HB LEU 10 2HB LEU 10 -1.048 2.184 5.302 63 2HB LEU 10 1HB LEU 10 -2.753 2.178 4.881 64 HG LEU 10 HG LEU 10 -0.453 1.051 3.292 65 1HD1 LEU 10 1HD1 LEU 10 -2.987 -0.187 4.350 66 2HD1 LEU 10 2HD1 LEU 10 -1.390 -0.341 5.078 67 3HD1 LEU 10 3HD1 LEU 10 -1.698 -1.017 3.479 68 1HD2 LEU 10 1HD2 LEU 10 -1.925 2.245 1.757 69 2HD2 LEU 10 2HD2 LEU 10 -3.319 1.389 2.417 70 3HD2 LEU 10 3HD2 LEU 10 -2.069 0.500 1.547 71 H ALA 11 H ALA 11 -0.415 5.147 5.617 72 HA ALA 11 HA ALA 11 -2.714 5.895 7.123 73 1HB ALA 11 1HB ALA 11 -0.489 5.861 8.131 74 2HB ALA 11 2HB ALA 11 -1.226 7.458 8.284 75 3HB ALA 11 3HB ALA 11 0.024 7.174 7.066 76 H GLN 12 H GLN 12 -1.027 7.276 4.414 77 HA GLN 12 HA GLN 12 -2.352 9.810 4.494 78 1HB GLN 12 2HB GLN 12 -0.943 8.436 2.204 79 2HB GLN 12 1HB GLN 12 -1.399 10.135 2.261 80 1HG GLN 12 2HG GLN 12 0.513 8.783 4.130 81 2HG GLN 12 1HG GLN 12 0.976 9.770 2.747 82 1HE2 GLN 12 1HE2 GLN 12 1.504 10.113 5.630 83 2HE2 GLN 12 2HE2 GLN 12 0.887 11.679 6.032 84 H CYS 13 H CYS 13 -2.801 6.764 2.816 85 HA CYS 13 HA CYS 13 -4.937 7.736 1.180 86 1HB CYS 13 2HB CYS 13 -4.014 4.912 1.723 87 2HB CYS 13 1HB CYS 13 -5.129 5.399 0.452 88 H ILE 14 H ILE 14 -4.713 6.303 4.325 89 HA ILE 14 HA ILE 14 -7.170 5.126 4.699 90 HB ILE 14 HB ILE 14 -5.294 6.577 6.481 91 1HG1 ILE 14 2HG1 ILE 14 -6.646 3.865 6.620 92 2HG1 ILE 14 1HG1 ILE 14 -5.042 4.189 5.960 93 1HG2 ILE 14 1HG2 ILE 14 -7.451 7.488 7.189 94 2HG2 ILE 14 2HG2 ILE 14 -6.743 6.432 8.420 95 3HG2 ILE 14 3HG2 ILE 14 -8.067 5.846 7.410 96 1HD1 ILE 14 1HD1 ILE 14 -4.908 3.255 8.194 97 2HD1 ILE 14 2HD1 ILE 14 -5.879 4.585 8.824 98 3HD1 ILE 14 3HD1 ILE 14 -4.276 4.900 8.161 99 H GLY 15 H GLY 15 -6.442 8.582 4.533 100 1HA GLY 15 2HA GLY 15 -9.033 9.393 5.439 101 2HA GLY 15 1HA GLY 15 -7.817 10.435 4.745 102 H PHE 16 H PHE 16 -8.585 7.693 2.991 103 HA PHE 16 HA PHE 16 -10.921 8.764 1.625 104 1HB PHE 16 2HB PHE 16 -9.384 9.516 0.054 105 2HB PHE 16 1HB PHE 16 -8.231 8.242 0.448 106 HD1 PHE 16 1HD PHE 16 -11.228 9.113 -1.486 107 HD2 PHE 16 2HD PHE 16 -8.346 6.085 -0.659 108 HE1 PHE 16 1HE PHE 16 -11.981 7.852 -3.461 109 HE2 PHE 16 2HE PHE 16 -9.093 4.827 -2.632 110 HZ PHE 16 HZ PHE 16 -10.915 5.706 -4.034 111 H LEU 17 H LEU 17 -8.532 6.259 1.950 112 HA LEU 17 HA LEU 17 -9.774 3.976 1.134 113 1HB LEU 17 2HB LEU 17 -7.426 4.366 1.956 114 2HB LEU 17 1HB LEU 17 -8.064 4.338 3.586 115 HG LEU 17 HG LEU 17 -8.740 2.017 3.280 116 1HD1 LEU 17 1HD1 LEU 17 -7.354 2.322 0.616 117 2HD1 LEU 17 2HD1 LEU 17 -9.071 1.991 0.876 118 3HD1 LEU 17 3HD1 LEU 17 -7.864 0.784 1.320 119 1HD2 LEU 17 1HD2 LEU 17 -6.587 2.536 4.280 120 2HD2 LEU 17 2HD2 LEU 17 -5.842 2.576 2.682 121 3HD2 LEU 17 3HD2 LEU 17 -6.487 1.062 3.317 122 H GLN 18 H GLN 18 -9.994 5.513 4.337 123 HA GLN 18 HA GLN 18 -11.994 3.613 5.225 124 1HB GLN 18 2HB GLN 18 -10.227 4.261 6.768 125 2HB GLN 18 1HB GLN 18 -10.616 5.960 6.546 126 1HG GLN 18 2HG GLN 18 -12.908 5.360 7.424 127 2HG GLN 18 1HG GLN 18 -12.171 3.855 7.975 128 1HE2 GLN 18 1HE2 GLN 18 -12.381 4.282 10.138 129 2HE2 GLN 18 2HE2 GLN 18 -11.512 5.543 10.950 130 H LYS 19 H LYS 19 -11.618 7.125 4.926 131 HA LYS 19 HA LYS 19 -14.495 7.347 4.410 132 1HB LYS 19 2HB LYS 19 -14.200 9.717 5.326 133 2HB LYS 19 1HB LYS 19 -14.234 8.387 6.470 134 1HG LYS 19 2HG LYS 19 -11.775 8.435 6.569 135 2HG LYS 19 1HG LYS 19 -11.791 9.828 5.479 136 1HD LYS 19 2HD LYS 19 -13.090 11.095 7.087 137 2HD LYS 19 1HD LYS 19 -13.143 9.702 8.164 138 1HE LYS 19 2HE LYS 19 -10.602 11.071 7.282 139 2HE LYS 19 1HE LYS 19 -11.444 11.434 8.787 140 1HZ LYS 19 1HZ LYS 19 -9.622 9.878 9.120 141 2HZ LYS 19 2HZ LYS 19 -10.328 8.783 8.043 142 3HZ LYS 19 3HZ LYS 19 -11.107 9.155 9.498 143 H GLY 20 H GLY 20 -14.595 7.490 2.259 144 1HA GLY 20 2HA GLY 20 -12.453 8.420 0.657 145 2HA GLY 20 1HA GLY 20 -14.058 7.984 0.090 146 H GLY 21 H GLY 21 -12.222 10.602 1.619 147 1HA GLY 21 2HA GLY 21 -14.126 12.591 0.724 148 2HA GLY 21 1HA GLY 21 -12.588 12.897 1.531 149 H VAL 22 H VAL 22 -10.697 11.935 0.028 150 HA VAL 22 HA VAL 22 -10.949 12.219 -2.770 151 HB VAL 22 HB VAL 22 -11.271 14.609 -2.152 152 1HG1 VAL 22 1HG1 VAL 22 -9.948 14.697 -0.127 153 2HG1 VAL 22 2HG1 VAL 22 -9.374 15.901 -1.281 154 3HG1 VAL 22 3HG1 VAL 22 -8.473 14.401 -1.049 155 1HG2 VAL 22 1HG2 VAL 22 -10.319 14.056 -4.312 156 2HG2 VAL 22 2HG2 VAL 22 -8.700 14.020 -3.612 157 3HG2 VAL 22 3HG2 VAL 22 -9.597 15.538 -3.686 158 H VAL 23 H VAL 23 -8.930 11.784 -3.831 159 HA VAL 23 HA VAL 23 -6.909 10.655 -2.059 160 HB VAL 23 HB VAL 23 -7.132 10.541 -5.070 161 1HG1 VAL 23 1HG1 VAL 23 -5.194 9.149 -3.221 162 2HG1 VAL 23 2HG1 VAL 23 -4.798 10.439 -4.355 163 3HG1 VAL 23 3HG1 VAL 23 -5.337 8.872 -4.956 164 1HG2 VAL 23 1HG2 VAL 23 -7.618 8.450 -2.960 165 2HG2 VAL 23 2HG2 VAL 23 -7.700 8.192 -4.705 166 3HG2 VAL 23 3HG2 VAL 23 -8.856 9.267 -3.914 167 HA PRO 24 HA PRO 24 -4.581 14.469 -2.672 168 1HB PRO 24 2HB PRO 24 -2.931 14.076 -0.587 169 2HB PRO 24 1HB PRO 24 -4.605 14.599 -0.355 170 1HG PRO 24 2HG PRO 24 -3.435 11.843 -0.128 171 2HG PRO 24 1HG PRO 24 -4.558 12.675 0.972 172 1HD PRO 24 2HD PRO 24 -5.369 10.863 -0.890 173 2HD PRO 24 1HD PRO 24 -6.380 12.224 -0.358 174 HA PRO 25 HA PRO 25 -0.964 12.845 -4.772 175 1HB PRO 25 2HB PRO 25 0.763 14.924 -4.450 176 2HB PRO 25 1HB PRO 25 -0.583 14.959 -5.601 177 1HG PRO 25 2HG PRO 25 -0.401 16.148 -2.860 178 2HG PRO 25 1HG PRO 25 -1.084 16.845 -4.339 179 1HD PRO 25 2HD PRO 25 -2.628 15.754 -2.404 180 2HD PRO 25 1HD PRO 25 -3.067 15.686 -4.122 181 H SER 26 H SER 26 -1.309 13.089 -1.583 182 HA SER 26 HA SER 26 1.438 12.647 -0.733 183 1HB SER 26 2HB SER 26 -1.016 12.438 1.003 184 2HB SER 26 1HB SER 26 0.614 12.964 1.455 185 HG SER 26 HG SER 26 0.228 14.930 0.660 186 H CYS 27 H CYS 27 -1.721 11.134 -0.334 187 HA CYS 27 HA CYS 27 -1.047 8.567 0.355 188 1HB CYS 27 2HB CYS 27 -3.318 9.042 0.391 189 2HB CYS 27 1HB CYS 27 -3.293 9.801 -1.198 190 H CYS 28 H CYS 28 -1.524 9.827 -2.962 191 HA CYS 28 HA CYS 28 -0.787 7.578 -4.359 192 1HB CYS 28 2HB CYS 28 -1.667 9.303 -5.655 193 2HB CYS 28 1HB CYS 28 -0.573 10.500 -4.972 194 H THR 29 H THR 29 1.327 10.236 -3.333 195 HA THR 29 HA THR 29 3.672 9.236 -4.404 196 HB THR 29 HB THR 29 3.169 11.060 -2.062 197 HG1 THR 29 1HG THR 29 2.882 12.325 -3.727 198 1HG2 THR 29 1HG2 THR 29 5.553 11.651 -2.109 199 2HG2 THR 29 2HG2 THR 29 5.845 10.353 -3.267 200 3HG2 THR 29 3HG2 THR 29 5.296 9.971 -1.634 201 H GLY 30 H GLY 30 2.318 8.732 -1.139 202 1HA GLY 30 2HA GLY 30 4.501 7.209 -0.167 203 2HA GLY 30 1HA GLY 30 2.872 7.205 0.493 204 H VAL 31 H VAL 31 1.465 6.258 -1.731 205 HA VAL 31 HA VAL 31 1.824 3.482 -1.567 206 HB VAL 31 HB VAL 31 0.454 5.020 -3.780 207 1HG1 VAL 31 1HG1 VAL 31 0.928 2.745 -4.437 208 2HG1 VAL 31 2HG1 VAL 31 -0.800 2.932 -4.127 209 3HG1 VAL 31 3HG1 VAL 31 0.232 2.140 -2.935 210 1HG2 VAL 31 1HG2 VAL 31 -1.611 4.530 -2.533 211 2HG2 VAL 31 2HG2 VAL 31 -0.510 5.580 -1.642 212 3HG2 VAL 31 3HG2 VAL 31 -0.637 3.872 -1.219 213 H LYS 32 H LYS 32 2.593 5.722 -4.217 214 HA LYS 32 HA LYS 32 3.809 3.793 -5.862 215 1HB LYS 32 2HB LYS 32 3.052 5.935 -6.745 216 2HB LYS 32 1HB LYS 32 4.232 6.788 -5.761 217 1HG LYS 32 2HG LYS 32 6.046 5.899 -7.029 218 2HG LYS 32 1HG LYS 32 4.972 4.796 -7.889 219 1HD LYS 32 2HD LYS 32 4.737 7.798 -8.033 220 2HD LYS 32 1HD LYS 32 5.672 6.836 -9.181 221 1HE LYS 32 2HE LYS 32 3.629 5.569 -9.737 222 2HE LYS 32 1HE LYS 32 2.711 6.603 -8.644 223 1HZ LYS 32 1HZ LYS 32 4.230 7.587 -10.998 224 2HZ LYS 32 2HZ LYS 32 3.189 8.491 -10.006 225 3HZ LYS 32 3HZ LYS 32 2.565 7.269 -10.999 226 H ASN 33 H ASN 33 4.953 5.637 -3.150 227 HA ASN 33 HA ASN 33 7.732 5.284 -3.553 228 1HB ASN 33 2HB ASN 33 6.718 6.928 -1.943 229 2HB ASN 33 1HB ASN 33 6.281 5.571 -0.906 230 1HD2 ASN 33 1HD2 ASN 33 7.870 4.514 0.252 231 2HD2 ASN 33 2HD2 ASN 33 9.476 5.127 0.417 232 H ILE 34 H ILE 34 5.460 3.538 -1.406 233 HA ILE 34 HA ILE 34 7.276 1.545 -0.641 234 HB ILE 34 HB ILE 34 4.373 1.995 -0.459 235 1HG1 ILE 34 2HG1 ILE 34 4.757 1.638 1.854 236 2HG1 ILE 34 1HG1 ILE 34 6.261 0.773 1.543 237 1HG2 ILE 34 1HG2 ILE 34 3.858 -0.259 0.351 238 2HG2 ILE 34 2HG2 ILE 34 5.449 -0.803 -0.182 239 3HG2 ILE 34 3HG2 ILE 34 4.268 -0.243 -1.365 240 1HD1 ILE 34 1HD1 ILE 34 5.801 3.700 1.027 241 2HD1 ILE 34 2HD1 ILE 34 7.317 2.814 0.797 242 3HD1 ILE 34 3HD1 ILE 34 6.644 3.019 2.420 243 H LEU 35 H LEU 35 5.508 1.941 -3.568 244 HA LEU 35 HA LEU 35 5.774 -0.870 -4.253 245 1HB LEU 35 2HB LEU 35 4.441 1.420 -5.680 246 2HB LEU 35 1HB LEU 35 4.451 -0.230 -6.268 247 HG LEU 35 HG LEU 35 3.171 0.773 -3.728 248 1HD1 LEU 35 1HD1 LEU 35 1.975 -0.392 -6.232 249 2HD1 LEU 35 2HD1 LEU 35 1.946 1.308 -5.763 250 3HD1 LEU 35 3HD1 LEU 35 1.092 0.109 -4.791 251 1HD2 LEU 35 1HD2 LEU 35 4.125 -1.433 -3.364 252 2HD2 LEU 35 2HD2 LEU 35 3.317 -2.036 -4.812 253 3HD2 LEU 35 3HD2 LEU 35 2.366 -1.513 -3.421 254 H ASN 36 H ASN 36 6.829 2.260 -5.560 255 HA ASN 36 HA ASN 36 8.596 0.804 -7.396 256 1HB ASN 36 2HB ASN 36 7.437 3.567 -7.427 257 2HB ASN 36 1HB ASN 36 8.882 3.200 -8.366 258 1HD2 ASN 36 1HD2 ASN 36 5.477 2.641 -8.023 259 2HD2 ASN 36 2HD2 ASN 36 5.239 1.876 -9.562 260 H SER 37 H SER 37 8.631 3.433 -5.024 261 HA SER 37 HA SER 37 11.474 3.780 -5.306 262 1HB SER 37 2HB SER 37 9.528 5.009 -3.344 263 2HB SER 37 1HB SER 37 11.206 5.515 -3.581 264 HG SER 37 HG SER 37 10.580 5.867 -5.839 265 H SER 38 H SER 38 9.759 1.427 -3.830 266 HA SER 38 HA SER 38 11.044 1.061 -1.362 267 1HB SER 38 2HB SER 38 10.583 -1.420 -1.913 268 2HB SER 38 1HB SER 38 9.196 -0.333 -1.830 269 HG SER 38 HG SER 38 8.866 -1.313 -3.710 270 H ARG 39 H ARG 39 11.774 -0.347 -4.523 271 HA ARG 39 HA ARG 39 13.702 -0.487 -5.710 272 1HB ARG 39 2HB ARG 39 14.488 1.572 -4.601 273 2HB ARG 39 1HB ARG 39 15.122 0.603 -3.277 274 1HG ARG 39 2HG ARG 39 16.614 -0.540 -4.872 275 2HG ARG 39 1HG ARG 39 16.025 0.527 -6.148 276 1HD ARG 39 2HD ARG 39 16.820 2.468 -4.836 277 2HD ARG 39 1HD ARG 39 17.486 1.355 -3.641 278 HE ARG 39 HE ARG 39 18.401 0.875 -6.335 279 1HH1 ARG 39 1HH1 ARG 39 18.992 2.665 -3.375 280 2HH1 ARG 39 2HH1 ARG 39 20.666 2.945 -3.735 281 1HH2 ARG 39 1HH2 ARG 39 20.593 1.235 -6.794 282 2HH2 ARG 39 2HH2 ARG 39 21.585 2.110 -5.670 283 H THR 40 H THR 40 14.292 -1.446 -2.305 284 HA THR 40 HA THR 40 16.096 -3.486 -3.304 285 HB THR 40 HB THR 40 16.933 -3.749 -1.129 286 HG1 THR 40 1HG THR 40 15.179 -2.185 0.294 287 1HG2 THR 40 1HG2 THR 40 17.335 -1.448 -0.321 288 2HG2 THR 40 2HG2 THR 40 16.089 -0.867 -1.427 289 3HG2 THR 40 3HG2 THR 40 17.559 -1.604 -2.063 290 H THR 41 H THR 41 16.044 -5.669 -2.361 291 HA THR 41 HA THR 41 13.585 -6.967 -2.793 292 HB THR 41 HB THR 41 15.988 -7.964 -1.268 293 HG1 THR 41 1HG THR 41 15.367 -7.984 -4.056 294 1HG2 THR 41 1HG2 THR 41 15.244 -10.188 -1.979 295 2HG2 THR 41 2HG2 THR 41 13.842 -9.471 -2.770 296 3HG2 THR 41 3HG2 THR 41 14.003 -9.386 -1.018 297 H ALA 42 H ALA 42 15.315 -6.061 0.160 298 HA ALA 42 HA ALA 42 13.447 -7.154 1.986 299 1HB ALA 42 1HB ALA 42 15.730 -6.589 2.648 300 2HB ALA 42 2HB ALA 42 14.556 -5.744 3.654 301 3HB ALA 42 3HB ALA 42 15.396 -4.880 2.369 302 H ASP 43 H ASP 43 13.625 -4.210 0.160 303 HA ASP 43 HA ASP 43 11.530 -2.907 1.673 304 1HB ASP 43 2HB ASP 43 13.256 -2.175 -0.636 305 2HB ASP 43 1HB ASP 43 11.721 -1.344 -0.479 306 H ARG 44 H ARG 44 11.488 -5.386 -0.427 307 HA ARG 44 HA ARG 44 8.870 -4.619 -1.526 308 1HB ARG 44 2HB ARG 44 10.913 -6.619 -2.481 309 2HB ARG 44 1HB ARG 44 9.251 -6.622 -3.062 310 1HG ARG 44 2HG ARG 44 9.542 -4.363 -3.929 311 2HG ARG 44 1HG ARG 44 11.200 -4.342 -3.326 312 1HD ARG 44 2HD ARG 44 11.778 -6.202 -4.775 313 2HD ARG 44 1HD ARG 44 10.110 -6.309 -5.335 314 HE ARG 44 HE ARG 44 10.534 -3.936 -6.177 315 1HH1 ARG 44 1HH1 ARG 44 12.987 -6.416 -5.967 316 2HH1 ARG 44 2HH1 ARG 44 13.930 -5.787 -7.287 317 1HH2 ARG 44 1HH2 ARG 44 11.771 -3.085 -7.916 318 2HH2 ARG 44 2HH2 ARG 44 13.249 -3.882 -8.372 319 H ARG 45 H ARG 45 10.609 -7.454 -0.270 320 HA ARG 45 HA ARG 45 8.179 -8.923 0.071 321 1HB ARG 45 2HB ARG 45 10.948 -9.515 1.133 322 2HB ARG 45 1HB ARG 45 9.601 -10.646 1.092 323 1HG ARG 45 2HG ARG 45 9.569 -10.564 -1.335 324 2HG ARG 45 1HG ARG 45 10.880 -9.383 -1.327 325 1HD ARG 45 2HD ARG 45 12.251 -11.130 -0.104 326 2HD ARG 45 1HD ARG 45 10.967 -12.274 -0.500 327 HE ARG 45 HE ARG 45 11.971 -10.811 -2.773 328 1HH1 ARG 45 1HH1 ARG 45 12.303 -13.710 -0.813 329 2HH1 ARG 45 2HH1 ARG 45 13.264 -14.543 -2.005 330 1HH2 ARG 45 1HH2 ARG 45 13.212 -11.918 -4.317 331 2HH2 ARG 45 2HH2 ARG 45 13.762 -13.533 -4.001 332 H ALA 46 H ALA 46 10.366 -7.221 2.274 333 HA ALA 46 HA ALA 46 8.873 -7.938 4.603 334 1HB ALA 46 1HB ALA 46 10.299 -6.375 5.787 335 2HB ALA 46 2HB ALA 46 10.889 -5.723 4.257 336 3HB ALA 46 3HB ALA 46 11.264 -7.387 4.712 337 H VAL 47 H VAL 47 8.800 -5.282 2.313 338 HA VAL 47 HA VAL 47 7.309 -3.495 3.911 339 HB VAL 47 HB VAL 47 8.555 -2.950 1.729 340 1HG1 VAL 47 1HG1 VAL 47 5.919 -3.791 0.541 341 2HG1 VAL 47 2HG1 VAL 47 7.476 -4.574 0.281 342 3HG1 VAL 47 3HG1 VAL 47 7.209 -2.931 -0.301 343 1HG2 VAL 47 1HG2 VAL 47 7.304 -1.298 2.957 344 2HG2 VAL 47 2HG2 VAL 47 5.800 -1.848 2.215 345 3HG2 VAL 47 3HG2 VAL 47 7.045 -1.083 1.226 346 H CYS 48 H CYS 48 6.395 -6.089 1.724 347 HA CYS 48 HA CYS 48 3.608 -5.586 1.836 348 1HB CYS 48 2HB CYS 48 4.527 -6.922 0.024 349 2HB CYS 48 1HB CYS 48 5.169 -8.097 1.170 350 H SER 49 H SER 49 5.864 -7.503 3.732 351 HA SER 49 HA SER 49 3.951 -8.787 5.366 352 1HB SER 49 2HB SER 49 6.830 -8.119 6.003 353 2HB SER 49 1HB SER 49 5.829 -9.313 6.830 354 HG SER 49 HG SER 49 5.667 -10.431 4.811 355 H CYS 50 H CYS 50 4.787 -5.517 5.240 356 HA CYS 50 HA CYS 50 3.771 -5.075 7.965 357 1HB CYS 50 2HB CYS 50 5.747 -3.779 7.506 358 2HB CYS 50 1HB CYS 50 5.077 -3.200 5.983 359 H LEU 51 H LEU 51 3.111 -4.564 4.583 360 HA LEU 51 HA LEU 51 0.928 -2.858 4.667 361 1HB LEU 51 2HB LEU 51 2.165 -3.708 2.645 362 2HB LEU 51 1HB LEU 51 1.282 -5.212 2.811 363 HG LEU 51 HG LEU 51 -0.842 -3.862 2.558 364 1HD1 LEU 51 1HD1 LEU 51 1.118 -1.750 1.681 365 2HD1 LEU 51 2HD1 LEU 51 0.062 -1.675 3.093 366 3HD1 LEU 51 3HD1 LEU 51 -0.632 -1.679 1.472 367 1HD2 LEU 51 1HD2 LEU 51 1.097 -3.872 0.248 368 2HD2 LEU 51 2HD2 LEU 51 -0.658 -3.753 0.133 369 3HD2 LEU 51 3HD2 LEU 51 0.084 -5.224 0.753 370 H LYS 52 H LYS 52 1.189 -6.249 5.377 371 HA LYS 52 HA LYS 52 -1.456 -7.062 5.266 372 1HB LYS 52 2HB LYS 52 0.753 -7.974 7.110 373 2HB LYS 52 1HB LYS 52 -0.757 -8.838 6.849 374 1HG LYS 52 2HG LYS 52 -0.207 -9.255 4.563 375 2HG LYS 52 1HG LYS 52 1.203 -8.199 4.655 376 1HD LYS 52 2HD LYS 52 1.803 -10.585 4.761 377 2HD LYS 52 1HD LYS 52 2.269 -9.710 6.221 378 1HE LYS 52 2HE LYS 52 1.313 -11.806 6.870 379 2HE LYS 52 1HE LYS 52 0.185 -10.519 7.297 380 1HZ LYS 52 1HZ LYS 52 -1.009 -12.330 6.316 381 2HZ LYS 52 2HZ LYS 52 0.002 -12.337 4.956 382 3HZ LYS 52 3HZ LYS 52 -1.040 -11.027 5.229 383 H ALA 53 H ALA 53 0.314 -5.725 8.094 384 HA ALA 53 HA ALA 53 -2.144 -5.770 9.640 385 1HB ALA 53 1HB ALA 53 -0.036 -6.330 10.749 386 2HB ALA 53 2HB ALA 53 -0.837 -4.942 11.494 387 3HB ALA 53 3HB ALA 53 0.555 -4.696 10.433 388 H ALA 54 H ALA 54 -0.307 -3.489 7.792 389 HA ALA 54 HA ALA 54 -1.514 -1.160 8.891 390 1HB ALA 54 1HB ALA 54 -0.664 -0.015 6.904 391 2HB ALA 54 2HB ALA 54 -0.285 -1.574 6.164 392 3HB ALA 54 3HB ALA 54 0.568 -1.055 7.618 393 H ALA 55 H ALA 55 -2.257 -3.228 6.108 394 HA ALA 55 HA ALA 55 -4.803 -1.907 5.680 395 1HB ALA 55 1HB ALA 55 -5.155 -3.627 3.964 396 2HB ALA 55 2HB ALA 55 -3.674 -4.435 4.474 397 3HB ALA 55 3HB ALA 55 -3.600 -2.821 3.765 398 H GLY 56 H GLY 56 -3.636 -3.898 7.965 399 1HA GLY 56 2HA GLY 56 -6.159 -5.339 8.373 400 2HA GLY 56 1HA GLY 56 -4.644 -5.646 9.225 401 H ALA 57 H ALA 57 -4.615 -2.496 9.218 402 HA ALA 57 HA ALA 57 -5.721 -2.237 11.873 403 1HB ALA 57 1HB ALA 57 -4.788 0.037 11.785 404 2HB ALA 57 2HB ALA 57 -4.354 -0.215 10.094 405 3HB ALA 57 3HB ALA 57 -3.590 -1.182 11.355 406 H VAL 58 H VAL 58 -6.972 -2.228 8.917 407 HA VAL 58 HA VAL 58 -8.507 0.058 8.555 408 HB VAL 58 HB VAL 58 -9.982 -1.429 7.174 409 1HG1 VAL 58 1HG1 VAL 58 -8.012 -0.244 6.312 410 2HG1 VAL 58 2HG1 VAL 58 -8.269 -1.786 5.492 411 3HG1 VAL 58 3HG1 VAL 58 -7.007 -1.639 6.716 412 1HG2 VAL 58 1HG2 VAL 58 -9.209 -3.725 6.764 413 2HG2 VAL 58 2HG2 VAL 58 -9.720 -3.504 8.438 414 3HG2 VAL 58 3HG2 VAL 58 -8.004 -3.542 8.040 415 H ARG 59 H ARG 59 -9.574 0.836 10.292 416 HA ARG 59 HA ARG 59 -11.696 -0.841 11.454 417 1HB ARG 59 2HB ARG 59 -10.399 1.683 12.512 418 2HB ARG 59 1HB ARG 59 -11.728 0.836 13.295 419 1HG ARG 59 2HG ARG 59 -10.388 -1.022 13.807 420 2HG ARG 59 1HG ARG 59 -9.120 -0.518 12.687 421 1HD ARG 59 2HD ARG 59 -9.907 0.907 15.228 422 2HD ARG 59 1HD ARG 59 -8.478 -0.105 15.011 423 HE ARG 59 HE ARG 59 -8.948 2.486 13.671 424 1HH1 ARG 59 1HH1 ARG 59 -6.782 -0.006 14.857 425 2HH1 ARG 59 2HH1 ARG 59 -5.343 0.887 14.466 426 1HH2 ARG 59 1HH2 ARG 59 -7.058 3.655 13.160 427 2HH2 ARG 59 2HH2 ARG 59 -5.496 2.956 13.476 428 H GLY 60 H GLY 60 -13.464 -0.563 10.203 429 1HA GLY 60 2HA GLY 60 -15.313 0.558 9.357 430 2HA GLY 60 1HA GLY 60 -14.642 2.068 9.977 431 H ILE 61 H ILE 61 -12.946 -0.181 7.909 432 HA ILE 61 HA ILE 61 -12.249 1.972 6.123 433 HB ILE 61 HB ILE 61 -10.783 -0.014 6.980 434 1HG1 ILE 61 2HG1 ILE 61 -9.499 0.045 4.753 435 2HG1 ILE 61 1HG1 ILE 61 -10.774 1.123 4.192 436 1HG2 ILE 61 1HG2 ILE 61 -12.104 -1.262 4.577 437 2HG2 ILE 61 2HG2 ILE 61 -12.189 -1.827 6.246 438 3HG2 ILE 61 3HG2 ILE 61 -10.657 -1.881 5.372 439 1HD1 ILE 61 1HD1 ILE 61 -8.809 2.334 5.003 440 2HD1 ILE 61 2HD1 ILE 61 -9.030 1.607 6.593 441 3HD1 ILE 61 3HD1 ILE 61 -10.253 2.699 5.945 442 H ASN 62 H ASN 62 -12.150 1.321 3.709 443 HA ASN 62 HA ASN 62 -14.563 -0.161 2.901 444 1HB ASN 62 2HB ASN 62 -13.647 2.536 2.022 445 2HB ASN 62 1HB ASN 62 -14.364 1.478 0.805 446 1HD2 ASN 62 1HD2 ASN 62 -16.165 2.697 0.514 447 2HD2 ASN 62 2HD2 ASN 62 -17.410 2.871 1.710 448 HA PRO 63 HA PRO 63 -11.317 -2.580 1.049 449 1HB PRO 63 2HB PRO 63 -13.493 -4.112 -0.171 450 2HB PRO 63 1HB PRO 63 -12.279 -4.629 1.003 451 1HG PRO 63 2HG PRO 63 -14.900 -4.295 1.617 452 2HG PRO 63 1HG PRO 63 -13.595 -4.080 2.793 453 1HD PRO 63 2HD PRO 63 -15.214 -2.043 1.351 454 2HD PRO 63 1HD PRO 63 -14.538 -1.997 2.992 455 H ASN 64 H ASN 64 -14.097 -1.343 -0.690 456 HA ASN 64 HA ASN 64 -13.196 -1.814 -3.308 457 1HB ASN 64 2HB ASN 64 -14.841 -0.189 -4.015 458 2HB ASN 64 1HB ASN 64 -15.517 -1.150 -2.705 459 1HD2 ASN 64 1HD2 ASN 64 -14.538 1.970 -3.748 460 2HD2 ASN 64 2HD2 ASN 64 -15.051 2.845 -2.342 461 H ASN 65 H ASN 65 -12.321 0.622 -0.987 462 HA ASN 65 HA ASN 65 -11.028 2.328 -2.923 463 1HB ASN 65 2HB ASN 65 -11.035 2.355 0.099 464 2HB ASN 65 1HB ASN 65 -10.204 3.535 -0.897 465 1HD2 ASN 65 1HD2 ASN 65 -12.378 3.875 1.016 466 2HD2 ASN 65 2HD2 ASN 65 -13.652 4.644 0.135 467 H ALA 66 H ALA 66 -10.224 -0.476 -1.162 468 HA ALA 66 HA ALA 66 -7.443 -0.024 -0.800 469 1HB ALA 66 1HB ALA 66 -8.698 -1.707 0.476 470 2HB ALA 66 2HB ALA 66 -7.297 -2.404 -0.340 471 3HB ALA 66 3HB ALA 66 -8.914 -2.650 -0.999 472 H GLU 67 H GLU 67 -9.358 -1.429 -3.394 473 HA GLU 67 HA GLU 67 -6.999 -2.104 -4.937 474 1HB GLU 67 2HB GLU 67 -9.031 -3.514 -5.046 475 2HB GLU 67 1HB GLU 67 -9.934 -2.158 -5.701 476 1HG GLU 67 2HG GLU 67 -9.338 -3.692 -7.460 477 2HG GLU 67 1HG GLU 67 -8.488 -2.160 -7.678 478 H ALA 68 H ALA 68 -9.197 0.523 -4.566 479 HA ALA 68 HA ALA 68 -8.593 1.839 -7.040 480 1HB ALA 68 1HB ALA 68 -9.751 2.936 -4.478 481 2HB ALA 68 2HB ALA 68 -10.669 2.309 -5.846 482 3HB ALA 68 3HB ALA 68 -9.707 3.777 -6.027 483 H LEU 69 H LEU 69 -7.235 1.652 -3.892 484 HA LEU 69 HA LEU 69 -5.803 3.947 -3.572 485 1HB LEU 69 2HB LEU 69 -6.056 2.209 -1.897 486 2HB LEU 69 1HB LEU 69 -5.039 1.130 -2.825 487 HG LEU 69 HG LEU 69 -3.771 3.678 -2.044 488 1HD1 LEU 69 1HD1 LEU 69 -3.396 2.934 0.250 489 2HD1 LEU 69 2HD1 LEU 69 -4.456 1.551 -0.016 490 3HD1 LEU 69 3HD1 LEU 69 -5.113 3.186 -0.054 491 1HD2 LEU 69 1HD2 LEU 69 -1.915 2.152 -1.560 492 2HD2 LEU 69 2HD2 LEU 69 -2.557 1.889 -3.182 493 3HD2 LEU 69 3HD2 LEU 69 -2.967 0.772 -1.881 494 HA PRO 70 HA PRO 70 -1.972 2.286 -5.971 495 1HB PRO 70 2HB PRO 70 -2.288 0.111 -7.578 496 2HB PRO 70 1HB PRO 70 -1.767 -0.003 -5.890 497 1HG PRO 70 2HG PRO 70 -4.485 -0.421 -7.067 498 2HG PRO 70 1HG PRO 70 -3.647 -1.373 -5.827 499 1HD PRO 70 2HD PRO 70 -5.552 0.441 -5.221 500 2HD PRO 70 1HD PRO 70 -4.175 0.119 -4.151 501 H GLY 71 H GLY 71 -5.132 1.861 -7.444 502 1HA GLY 71 2HA GLY 71 -4.365 2.408 -10.114 503 2HA GLY 71 1HA GLY 71 -5.999 2.478 -9.476 504 H LYS 72 H LYS 72 -5.465 4.504 -7.486 505 HA LYS 72 HA LYS 72 -5.926 6.739 -9.183 506 1HB LYS 72 2HB LYS 72 -5.448 6.790 -6.201 507 2HB LYS 72 1HB LYS 72 -6.210 8.043 -7.172 508 1HG LYS 72 2HG LYS 72 -7.294 5.321 -6.509 509 2HG LYS 72 1HG LYS 72 -7.938 6.896 -6.039 510 1HD LYS 72 2HD LYS 72 -7.779 5.825 -8.858 511 2HD LYS 72 1HD LYS 72 -9.236 5.875 -7.855 512 1HE LYS 72 2HE LYS 72 -7.633 8.306 -8.616 513 2HE LYS 72 1HE LYS 72 -9.022 7.727 -9.534 514 1HZ LYS 72 1HZ LYS 72 -10.344 7.959 -7.456 515 2HZ LYS 72 2HZ LYS 72 -9.761 9.427 -8.072 516 3HZ LYS 72 3HZ LYS 72 -9.007 8.714 -6.738 517 H CYS 73 H CYS 73 -3.062 5.536 -7.563 518 HA CYS 73 HA CYS 73 -1.661 8.039 -8.034 519 1HB CYS 73 2HB CYS 73 -1.104 6.615 -6.020 520 2HB CYS 73 1HB CYS 73 -0.434 5.423 -7.131 521 H GLY 74 H GLY 74 -2.092 4.962 -9.588 522 1HA GLY 74 2HA GLY 74 -1.680 4.673 -11.908 523 2HA GLY 74 1HA GLY 74 -0.448 5.932 -11.818 524 H VAL 75 H VAL 75 -0.932 3.078 -9.793 525 HA VAL 75 HA VAL 75 1.617 2.025 -10.786 526 HB VAL 75 HB VAL 75 1.974 1.201 -8.352 527 1HG1 VAL 75 1HG1 VAL 75 3.186 3.262 -7.797 528 2HG1 VAL 75 2HG1 VAL 75 2.335 4.100 -9.094 529 3HG1 VAL 75 3HG1 VAL 75 3.438 2.778 -9.474 530 1HG2 VAL 75 1HG2 VAL 75 -0.212 1.902 -7.489 531 2HG2 VAL 75 2HG2 VAL 75 0.185 3.583 -7.850 532 3HG2 VAL 75 3HG2 VAL 75 1.104 2.701 -6.630 533 H ASN 76 H ASN 76 0.379 0.614 -12.064 534 HA ASN 76 HA ASN 76 -1.350 -1.327 -10.821 535 1HB ASN 76 2HB ASN 76 -1.659 -0.554 -13.185 536 2HB ASN 76 1HB ASN 76 -0.164 -1.390 -13.607 537 1HD2 ASN 76 1HD2 ASN 76 -3.500 -1.726 -12.770 538 2HD2 ASN 76 2HD2 ASN 76 -3.633 -3.424 -13.096 539 H ILE 77 H ILE 77 -0.072 -2.282 -9.282 540 HA ILE 77 HA ILE 77 2.433 -3.540 -9.988 541 HB ILE 77 HB ILE 77 2.351 -4.321 -7.572 542 1HG1 ILE 77 2HG1 ILE 77 -0.027 -2.445 -7.525 543 2HG1 ILE 77 1HG1 ILE 77 -0.078 -4.181 -7.267 544 1HG2 ILE 77 1HG2 ILE 77 2.917 -2.082 -6.712 545 2HG2 ILE 77 2HG2 ILE 77 2.239 -1.369 -8.176 546 3HG2 ILE 77 3HG2 ILE 77 3.658 -2.409 -8.279 547 1HD1 ILE 77 1HD1 ILE 77 1.274 -2.169 -5.497 548 2HD1 ILE 77 2HD1 ILE 77 1.233 -3.912 -5.233 549 3HD1 ILE 77 3HD1 ILE 77 -0.261 -2.976 -5.184 550 HA PRO 78 HA PRO 78 0.961 -7.639 -10.853 551 1HB PRO 78 2HB PRO 78 3.224 -8.659 -9.247 552 2HB PRO 78 1HB PRO 78 2.854 -8.918 -10.957 553 1HG PRO 78 2HG PRO 78 4.876 -7.339 -10.209 554 2HG PRO 78 1HG PRO 78 3.863 -6.938 -11.613 555 1HD PRO 78 2HD PRO 78 3.792 -5.810 -8.836 556 2HD PRO 78 1HD PRO 78 3.637 -4.973 -10.399 557 H TYR 79 H TYR 79 2.442 -7.631 -7.607 558 HA TYR 79 HA TYR 79 0.423 -9.244 -6.408 559 1HB TYR 79 2HB TYR 79 1.457 -8.268 -4.249 560 2HB TYR 79 1HB TYR 79 2.486 -9.262 -5.273 561 HD1 TYR 79 1HD TYR 79 1.538 -5.664 -4.887 562 HD2 TYR 79 2HD TYR 79 4.615 -8.488 -5.688 563 HE1 TYR 79 1HE TYR 79 3.172 -3.836 -5.005 564 HE2 TYR 79 2HE TYR 79 6.263 -6.670 -5.800 565 HH TYR 79 HH TYR 79 5.631 -3.531 -4.727 566 H LYS 80 H LYS 80 -0.922 -8.322 -4.497 567 HA LYS 80 HA LYS 80 -2.010 -5.744 -5.411 568 1HB LYS 80 2HB LYS 80 -3.446 -8.256 -4.637 569 2HB LYS 80 1HB LYS 80 -4.239 -6.693 -4.512 570 1HG LYS 80 2HG LYS 80 -3.119 -7.962 -6.997 571 2HG LYS 80 1HG LYS 80 -4.819 -7.678 -6.610 572 1HD LYS 80 2HD LYS 80 -4.284 -5.228 -6.516 573 2HD LYS 80 1HD LYS 80 -2.684 -5.618 -7.150 574 1HE LYS 80 2HE LYS 80 -4.140 -4.914 -8.955 575 2HE LYS 80 1HE LYS 80 -3.746 -6.623 -9.135 576 1HZ LYS 80 1HZ LYS 80 -5.874 -7.245 -8.357 577 2HZ LYS 80 2HZ LYS 80 -6.141 -6.017 -9.494 578 3HZ LYS 80 3HZ LYS 80 -6.239 -5.670 -7.837 579 H ILE 81 H ILE 81 -3.756 -5.055 -3.665 580 HA ILE 81 HA ILE 81 -2.210 -4.416 -1.304 581 HB ILE 81 HB ILE 81 -5.029 -3.568 -2.017 582 1HG1 ILE 81 2HG1 ILE 81 -3.516 -2.999 -3.851 583 2HG1 ILE 81 1HG1 ILE 81 -4.032 -1.549 -3.000 584 1HG2 ILE 81 1HG2 ILE 81 -4.575 -1.626 -0.613 585 2HG2 ILE 81 2HG2 ILE 81 -2.975 -2.265 -0.236 586 3HG2 ILE 81 3HG2 ILE 81 -4.417 -3.125 0.303 587 1HD1 ILE 81 1HD1 ILE 81 -1.377 -2.936 -2.694 588 2HD1 ILE 81 2HD1 ILE 81 -1.891 -1.495 -1.818 589 3HD1 ILE 81 3HD1 ILE 81 -1.681 -1.434 -3.568 590 H SER 82 H SER 82 -3.627 -7.081 -2.048 591 HA SER 82 HA SER 82 -5.559 -7.589 -0.049 592 1HB SER 82 2HB SER 82 -5.385 -8.976 -2.064 593 2HB SER 82 1HB SER 82 -3.774 -9.507 -1.572 594 HG SER 82 HG SER 82 -6.257 -10.319 -0.685 595 H THR 83 H THR 83 -5.368 -8.425 1.967 596 HA THR 83 HA THR 83 -2.992 -7.920 3.404 597 HB THR 83 HB THR 83 -4.279 -9.251 5.230 598 HG1 THR 83 1HG THR 83 -6.569 -9.329 4.712 599 1HG2 THR 83 1HG2 THR 83 -5.451 -6.745 4.009 600 2HG2 THR 83 2HG2 THR 83 -4.122 -6.810 5.167 601 3HG2 THR 83 3HG2 THR 83 -5.740 -7.321 5.651 602 H SER 84 H SER 84 -3.985 -10.609 1.575 603 HA SER 84 HA SER 84 -1.742 -12.165 2.650 604 1HB SER 84 2HB SER 84 -4.475 -13.281 1.959 605 2HB SER 84 1HB SER 84 -3.075 -14.230 2.471 606 HG SER 84 HG SER 84 -4.384 -13.858 4.253 607 H THR 85 H THR 85 -1.418 -10.594 0.473 608 HA THR 85 HA THR 85 -2.001 -12.057 -1.946 609 HB THR 85 HB THR 85 -1.976 -9.561 -1.888 610 HG1 THR 85 1HG THR 85 -0.261 -10.964 -3.667 611 1HG2 THR 85 1HG2 THR 85 1.011 -9.920 -1.630 612 2HG2 THR 85 2HG2 THR 85 -0.060 -9.210 -0.420 613 3HG2 THR 85 3HG2 THR 85 0.187 -8.397 -1.969 614 H ASN 86 H ASN 86 0.058 -12.728 0.399 615 HA ASN 86 HA ASN 86 1.935 -13.965 0.645 616 1HB ASN 86 2HB ASN 86 0.973 -15.458 -1.022 617 2HB ASN 86 1HB ASN 86 1.626 -14.462 -2.323 618 1HD2 ASN 86 1HD2 ASN 86 2.366 -16.729 0.209 619 2HD2 ASN 86 2HD2 ASN 86 3.976 -17.107 -0.334 620 H CYS 87 H CYS 87 3.718 -12.927 1.179 621 HA CYS 87 HA CYS 87 4.551 -10.723 -0.554 622 1HB CYS 87 2HB CYS 87 5.181 -11.192 2.360 623 2HB CYS 87 1HB CYS 87 5.450 -9.710 1.441 624 H ASN 88 H ASN 88 5.613 -13.828 0.068 625 HA ASN 88 HA ASN 88 8.433 -13.028 0.020 626 1HB ASN 88 2HB ASN 88 8.988 -15.326 0.620 627 2HB ASN 88 1HB ASN 88 7.822 -14.656 1.751 628 1HD2 ASN 88 1HD2 ASN 88 8.515 -17.436 0.931 629 2HD2 ASN 88 2HD2 ASN 88 6.996 -18.156 0.497 630 H SER 89 H SER 89 6.020 -14.628 -1.944 631 HA SER 89 HA SER 89 8.048 -15.538 -3.824 632 1HB SER 89 2HB SER 89 6.131 -17.001 -3.233 633 2HB SER 89 1HB SER 89 5.034 -15.822 -3.942 634 HG SER 89 HG SER 89 6.502 -16.164 -5.888 635 H ILE 90 H ILE 90 6.985 -12.636 -3.268 636 HA ILE 90 HA ILE 90 6.178 -11.779 -5.902 637 HB ILE 90 HB ILE 90 6.380 -9.501 -5.024 638 1HG1 ILE 90 2HG1 ILE 90 7.267 -10.756 -2.421 639 2HG1 ILE 90 1HG1 ILE 90 8.392 -10.036 -3.581 640 1HG2 ILE 90 1HG2 ILE 90 4.701 -9.670 -3.213 641 2HG2 ILE 90 2HG2 ILE 90 4.961 -11.416 -3.178 642 3HG2 ILE 90 3HG2 ILE 90 4.306 -10.650 -4.624 643 1HD1 ILE 90 1HD1 ILE 90 7.863 -8.487 -1.790 644 2HD1 ILE 90 2HD1 ILE 90 6.142 -8.623 -2.152 645 3HD1 ILE 90 3HD1 ILE 90 7.235 -7.889 -3.327 646 H ASN 91 H ASN 91 9.070 -12.268 -4.154 647 HA ASN 91 HA ASN 91 11.251 -12.090 -4.595 648 1HB ASN 91 2HB ASN 91 10.263 -11.590 -7.394 649 2HB ASN 91 1HB ASN 91 11.980 -11.572 -6.988 650 1HD2 ASN 91 1HD2 ASN 91 12.516 -13.313 -8.185 651 2HD2 ASN 91 2HD2 ASN 91 12.013 -14.925 -7.816 Start of MODEL 2 1 1H MET 1 1HT MET 1 12.841 -1.656 4.238 2 2H MET 1 2HT MET 1 13.189 -2.469 5.688 3 3H MET 1 3HT MET 1 13.364 -0.783 5.600 4 HA MET 1 HA MET 1 10.981 -0.526 5.273 5 1HB MET 1 2HB MET 1 10.632 -2.724 4.183 6 2HB MET 1 1HB MET 1 10.918 -3.515 5.733 7 1HG MET 1 2HG MET 1 8.988 -1.741 6.405 8 2HG MET 1 1HG MET 1 8.548 -2.111 4.736 9 1HE MET 1 1HE MET 1 10.324 -4.492 7.330 10 2HE MET 1 2HE MET 1 8.941 -5.326 8.037 11 3HE MET 1 3HE MET 1 9.179 -3.607 8.340 12 H THR 2 H THR 2 10.147 0.323 7.059 13 HA THR 2 HA THR 2 10.811 -0.921 9.619 14 HB THR 2 HB THR 2 9.926 1.272 10.547 15 HG1 THR 2 1HG THR 2 9.797 2.984 9.064 16 1HG2 THR 2 1HG2 THR 2 12.024 2.490 10.050 17 2HG2 THR 2 2HG2 THR 2 12.389 1.300 8.801 18 3HG2 THR 2 3HG2 THR 2 12.311 0.807 10.493 19 H CYS 3 H CYS 3 8.479 -1.003 7.440 20 HA CYS 3 HA CYS 3 6.276 -1.468 7.333 21 1HB CYS 3 2HB CYS 3 6.810 -2.896 9.439 22 2HB CYS 3 1HB CYS 3 6.029 -1.585 10.326 23 H GLY 4 H GLY 4 7.498 0.953 9.482 24 1HA GLY 4 2HA GLY 4 5.155 2.636 9.278 25 2HA GLY 4 1HA GLY 4 6.739 3.110 9.894 26 H GLN 5 H GLN 5 8.274 2.244 7.712 27 HA GLN 5 HA GLN 5 8.150 4.143 5.715 28 1HB GLN 5 2HB GLN 5 10.004 2.491 6.041 29 2HB GLN 5 1HB GLN 5 8.963 1.240 5.378 30 1HG GLN 5 2HG GLN 5 8.824 2.599 3.281 31 2HG GLN 5 1HG GLN 5 10.065 3.647 3.961 32 1HE2 GLN 5 1HE2 GLN 5 9.365 0.561 2.565 33 2HE2 GLN 5 2HE2 GLN 5 11.011 0.046 2.353 34 H VAL 6 H VAL 6 6.640 0.953 5.912 35 HA VAL 6 HA VAL 6 5.209 1.103 3.436 36 HB VAL 6 HB VAL 6 4.210 -0.381 5.873 37 1HG1 VAL 6 1HG1 VAL 6 3.438 -2.007 4.200 38 2HG1 VAL 6 2HG1 VAL 6 4.058 -0.959 2.923 39 3HG1 VAL 6 3HG1 VAL 6 2.741 -0.403 3.960 40 1HG2 VAL 6 1HG2 VAL 6 5.612 -2.263 5.312 41 2HG2 VAL 6 2HG2 VAL 6 6.607 -0.845 5.656 42 3HG2 VAL 6 3HG2 VAL 6 6.344 -1.354 3.990 43 H GLN 7 H GLN 7 4.456 2.079 6.745 44 HA GLN 7 HA GLN 7 1.733 2.584 6.465 45 1HB GLN 7 2HB GLN 7 2.916 2.493 8.627 46 2HB GLN 7 1HB GLN 7 3.709 4.019 8.249 47 1HG GLN 7 2HG GLN 7 1.539 5.134 8.215 48 2HG GLN 7 1HG GLN 7 0.746 3.603 8.586 49 1HE2 GLN 7 1HE2 GLN 7 0.987 2.702 10.626 50 2HE2 GLN 7 2HE2 GLN 7 1.502 3.645 11.987 51 H GLY 8 H GLY 8 4.505 4.483 5.489 52 1HA GLY 8 2HA GLY 8 3.314 6.995 5.176 53 2HA GLY 8 1HA GLY 8 4.671 6.402 4.231 54 H ASN 9 H ASN 9 2.916 4.108 3.350 55 HA ASN 9 HA ASN 9 1.867 5.281 0.974 56 1HB ASN 9 2HB ASN 9 2.741 2.995 0.983 57 2HB ASN 9 1HB ASN 9 1.525 2.513 2.159 58 1HD2 ASN 9 1HD2 ASN 9 -0.617 2.242 1.482 59 2HD2 ASN 9 2HD2 ASN 9 -1.030 2.087 -0.193 60 H LEU 10 H LEU 10 0.370 3.746 3.812 61 HA LEU 10 HA LEU 10 -2.266 4.376 2.787 62 1HB LEU 10 2HB LEU 10 -1.418 2.957 5.304 63 2HB LEU 10 1HB LEU 10 -3.084 3.212 4.827 64 HG LEU 10 HG LEU 10 -2.367 1.957 2.652 65 1HD1 LEU 10 1HD1 LEU 10 0.003 1.874 3.117 66 2HD1 LEU 10 2HD1 LEU 10 -0.667 0.241 3.082 67 3HD1 LEU 10 3HD1 LEU 10 -0.298 1.012 4.626 68 1HD2 LEU 10 1HD2 LEU 10 -3.034 -0.142 3.686 69 2HD2 LEU 10 2HD2 LEU 10 -4.028 1.198 4.265 70 3HD2 LEU 10 3HD2 LEU 10 -2.744 0.543 5.284 71 H ALA 11 H ALA 11 -0.120 5.522 5.309 72 HA ALA 11 HA ALA 11 -1.895 6.671 7.075 73 1HB ALA 11 1HB ALA 11 0.787 7.797 6.290 74 2HB ALA 11 2HB ALA 11 0.517 6.508 7.465 75 3HB ALA 11 3HB ALA 11 -0.095 8.132 7.780 76 H GLN 12 H GLN 12 -0.914 7.863 3.954 77 HA GLN 12 HA GLN 12 -1.995 10.505 4.399 78 1HB GLN 12 2HB GLN 12 -1.090 9.257 1.802 79 2HB GLN 12 1HB GLN 12 -1.261 10.972 2.149 80 1HG GLN 12 2HG GLN 12 0.565 10.773 3.803 81 2HG GLN 12 1HG GLN 12 0.769 9.085 3.327 82 1HE2 GLN 12 1HE2 GLN 12 1.756 8.598 1.411 83 2HE2 GLN 12 2HE2 GLN 12 2.560 9.784 0.441 84 H CYS 13 H CYS 13 -3.064 7.484 3.102 85 HA CYS 13 HA CYS 13 -5.403 8.834 1.957 86 1HB CYS 13 2HB CYS 13 -3.827 6.480 1.124 87 2HB CYS 13 1HB CYS 13 -5.571 6.421 0.839 88 H ILE 14 H ILE 14 -4.535 7.271 4.659 89 HA ILE 14 HA ILE 14 -6.704 5.595 5.227 90 HB ILE 14 HB ILE 14 -5.114 7.442 7.033 91 1HG1 ILE 14 2HG1 ILE 14 -5.167 4.430 6.745 92 2HG1 ILE 14 1HG1 ILE 14 -3.935 5.498 6.073 93 1HG2 ILE 14 1HG2 ILE 14 -7.302 7.202 8.043 94 2HG2 ILE 14 2HG2 ILE 14 -6.114 6.264 8.949 95 3HG2 ILE 14 3HG2 ILE 14 -7.225 5.451 7.850 96 1HD1 ILE 14 1HD1 ILE 14 -3.156 4.417 8.098 97 2HD1 ILE 14 2HD1 ILE 14 -4.518 5.086 8.999 98 3HD1 ILE 14 3HD1 ILE 14 -3.287 6.161 8.332 99 H GLY 15 H GLY 15 -6.451 9.103 5.043 100 1HA GLY 15 2HA GLY 15 -8.910 9.840 6.183 101 2HA GLY 15 1HA GLY 15 -8.112 10.685 4.876 102 H PHE 16 H PHE 16 -8.258 9.438 2.738 103 HA PHE 16 HA PHE 16 -10.900 9.357 1.846 104 1HB PHE 16 2HB PHE 16 -9.273 9.720 0.220 105 2HB PHE 16 1HB PHE 16 -8.265 8.405 0.816 106 HD1 PHE 16 1HD PHE 16 -11.300 9.217 -1.123 107 HD2 PHE 16 2HD PHE 16 -8.485 6.205 -0.059 108 HE1 PHE 16 1HE PHE 16 -12.197 7.756 -2.887 109 HE2 PHE 16 2HE PHE 16 -9.379 4.742 -1.818 110 HZ PHE 16 HZ PHE 16 -11.234 5.514 -3.235 111 H LEU 17 H LEU 17 -8.674 6.759 2.651 112 HA LEU 17 HA LEU 17 -10.091 4.440 2.401 113 1HB LEU 17 2HB LEU 17 -8.000 5.554 4.113 114 2HB LEU 17 1HB LEU 17 -8.897 4.260 4.907 115 HG LEU 17 HG LEU 17 -8.208 2.684 3.300 116 1HD1 LEU 17 1HD1 LEU 17 -8.546 4.013 1.279 117 2HD1 LEU 17 2HD1 LEU 17 -6.964 3.234 1.274 118 3HD1 LEU 17 3HD1 LEU 17 -7.101 4.950 1.658 119 1HD2 LEU 17 1HD2 LEU 17 -6.500 3.248 4.923 120 2HD2 LEU 17 2HD2 LEU 17 -5.879 4.495 3.843 121 3HD2 LEU 17 3HD2 LEU 17 -5.778 2.797 3.376 122 H GLN 18 H GLN 18 -10.170 6.590 5.270 123 HA GLN 18 HA GLN 18 -12.406 5.269 6.460 124 1HB GLN 18 2HB GLN 18 -11.264 8.035 6.885 125 2HB GLN 18 1HB GLN 18 -12.535 7.329 7.873 126 1HG GLN 18 2HG GLN 18 -10.996 5.503 8.407 127 2HG GLN 18 1HG GLN 18 -9.712 6.373 7.574 128 1HE2 GLN 18 1HE2 GLN 18 -10.803 8.969 8.473 129 2HE2 GLN 18 2HE2 GLN 18 -10.345 9.111 10.137 130 H LYS 19 H LYS 19 -12.227 8.600 5.477 131 HA LYS 19 HA LYS 19 -14.683 8.421 3.954 132 1HB LYS 19 2HB LYS 19 -14.944 8.846 6.603 133 2HB LYS 19 1HB LYS 19 -14.759 10.503 6.042 134 1HG LYS 19 2HG LYS 19 -16.631 10.337 4.635 135 2HG LYS 19 1HG LYS 19 -16.712 8.586 4.842 136 1HD LYS 19 2HD LYS 19 -17.174 10.641 7.002 137 2HD LYS 19 1HD LYS 19 -18.433 9.732 6.163 138 1HE LYS 19 2HE LYS 19 -16.222 8.490 7.794 139 2HE LYS 19 1HE LYS 19 -17.846 8.809 8.398 140 1HZ LYS 19 1HZ LYS 19 -17.464 6.495 7.625 141 2HZ LYS 19 2HZ LYS 19 -17.280 7.082 6.043 142 3HZ LYS 19 3HZ LYS 19 -18.759 7.271 6.855 143 H GLY 20 H GLY 20 -13.249 9.065 2.290 144 1HA GLY 20 2HA GLY 20 -12.756 11.969 2.308 145 2HA GLY 20 1HA GLY 20 -11.516 10.854 1.734 146 H GLY 21 H GLY 21 -11.860 12.346 -0.210 147 1HA GLY 21 2HA GLY 21 -13.969 11.146 -1.901 148 2HA GLY 21 1HA GLY 21 -13.712 12.888 -1.862 149 H VAL 22 H VAL 22 -11.009 13.082 -1.904 150 HA VAL 22 HA VAL 22 -10.413 12.010 -4.580 151 HB VAL 22 HB VAL 22 -10.868 14.332 -4.827 152 1HG1 VAL 22 1HG1 VAL 22 -9.765 16.077 -3.522 153 2HG1 VAL 22 2HG1 VAL 22 -8.944 14.843 -2.566 154 3HG1 VAL 22 3HG1 VAL 22 -10.703 14.989 -2.493 155 1HG2 VAL 22 1HG2 VAL 22 -8.726 15.235 -5.605 156 2HG2 VAL 22 2HG2 VAL 22 -8.933 13.551 -6.086 157 3HG2 VAL 22 3HG2 VAL 22 -7.875 13.960 -4.737 158 H VAL 23 H VAL 23 -8.540 10.997 -4.871 159 HA VAL 23 HA VAL 23 -6.734 10.662 -2.631 160 HB VAL 23 HB VAL 23 -6.644 9.498 -5.423 161 1HG1 VAL 23 1HG1 VAL 23 -4.404 9.618 -4.536 162 2HG1 VAL 23 2HG1 VAL 23 -4.963 7.945 -4.486 163 3HG1 VAL 23 3HG1 VAL 23 -4.935 8.909 -3.009 164 1HG2 VAL 23 1HG2 VAL 23 -7.359 7.434 -4.370 165 2HG2 VAL 23 2HG2 VAL 23 -8.524 8.718 -4.042 166 3HG2 VAL 23 3HG2 VAL 23 -7.379 8.221 -2.794 167 HA PRO 24 HA PRO 24 -4.281 14.062 -4.144 168 1HB PRO 24 2HB PRO 24 -2.582 14.173 -2.058 169 2HB PRO 24 1HB PRO 24 -4.251 14.744 -1.937 170 1HG PRO 24 2HG PRO 24 -3.061 12.147 -1.028 171 2HG PRO 24 1HG PRO 24 -4.229 13.200 -0.198 172 1HD PRO 24 2HD PRO 24 -4.913 10.940 -1.578 173 2HD PRO 24 1HD PRO 24 -5.999 12.323 -1.352 174 HA PRO 25 HA PRO 25 -0.856 11.974 -6.147 175 1HB PRO 25 2HB PRO 25 0.356 14.684 -6.124 176 2HB PRO 25 1HB PRO 25 0.054 13.597 -7.488 177 1HG PRO 25 2HG PRO 25 -1.452 15.764 -7.106 178 2HG PRO 25 1HG PRO 25 -2.159 14.245 -7.688 179 1HD PRO 25 2HD PRO 25 -2.247 15.452 -4.952 180 2HD PRO 25 1HD PRO 25 -3.515 14.587 -5.844 181 H SER 26 H SER 26 -0.749 13.785 -3.279 182 HA SER 26 HA SER 26 1.977 13.473 -2.527 183 1HB SER 26 2HB SER 26 -0.446 13.767 -0.740 184 2HB SER 26 1HB SER 26 1.225 14.204 -0.349 185 HG SER 26 HG SER 26 0.956 16.045 -1.325 186 H CYS 27 H CYS 27 -1.001 11.969 -1.380 187 HA CYS 27 HA CYS 27 0.018 9.734 -0.095 188 1HB CYS 27 2HB CYS 27 -2.289 10.214 0.124 189 2HB CYS 27 1HB CYS 27 -2.529 10.242 -1.623 190 H CYS 28 H CYS 28 -0.819 10.230 -3.508 191 HA CYS 28 HA CYS 28 -0.229 7.676 -4.408 192 1HB CYS 28 2HB CYS 28 -0.416 10.321 -5.731 193 2HB CYS 28 1HB CYS 28 0.281 8.981 -6.636 194 H THR 29 H THR 29 1.907 10.390 -3.840 195 HA THR 29 HA THR 29 4.194 9.350 -5.098 196 HB THR 29 HB THR 29 4.010 11.152 -2.663 197 HG1 THR 29 1HG THR 29 3.098 11.840 -4.804 198 1HG2 THR 29 1HG2 THR 29 6.351 10.666 -4.514 199 2HG2 THR 29 2HG2 THR 29 6.225 10.096 -2.849 200 3HG2 THR 29 3HG2 THR 29 6.299 11.825 -3.185 201 H GLY 30 H GLY 30 2.820 8.877 -1.886 202 1HA GLY 30 2HA GLY 30 4.983 7.373 -0.819 203 2HA GLY 30 1HA GLY 30 3.346 7.413 -0.193 204 H VAL 31 H VAL 31 2.017 6.486 -2.509 205 HA VAL 31 HA VAL 31 2.269 3.691 -2.293 206 HB VAL 31 HB VAL 31 1.173 5.172 -4.694 207 1HG1 VAL 31 1HG1 VAL 31 -0.322 3.209 -4.859 208 2HG1 VAL 31 2HG1 VAL 31 0.559 2.461 -3.528 209 3HG1 VAL 31 3HG1 VAL 31 1.383 2.796 -5.050 210 1HG2 VAL 31 1HG2 VAL 31 -0.218 4.516 -2.105 211 2HG2 VAL 31 2HG2 VAL 31 -1.004 5.135 -3.556 212 3HG2 VAL 31 3HG2 VAL 31 0.183 6.124 -2.704 213 H LYS 32 H LYS 32 3.370 5.960 -4.773 214 HA LYS 32 HA LYS 32 4.774 4.089 -6.320 215 1HB LYS 32 2HB LYS 32 5.289 7.051 -6.001 216 2HB LYS 32 1HB LYS 32 5.948 6.034 -7.277 217 1HG LYS 32 2HG LYS 32 3.640 5.545 -8.021 218 2HG LYS 32 1HG LYS 32 3.048 6.680 -6.807 219 1HD LYS 32 2HD LYS 32 4.381 8.461 -7.875 220 2HD LYS 32 1HD LYS 32 4.869 7.313 -9.124 221 1HE LYS 32 2HE LYS 32 2.474 6.997 -9.697 222 2HE LYS 32 1HE LYS 32 2.064 8.245 -8.520 223 1HZ LYS 32 1HZ LYS 32 3.572 9.746 -9.823 224 2HZ LYS 32 2HZ LYS 32 2.136 9.295 -10.604 225 3HZ LYS 32 3HZ LYS 32 3.605 8.556 -11.032 226 H ASN 33 H ASN 33 5.505 5.527 -3.252 227 HA ASN 33 HA ASN 33 8.328 5.016 -3.418 228 1HB ASN 33 2HB ASN 33 6.511 5.641 -1.090 229 2HB ASN 33 1HB ASN 33 8.224 5.283 -0.877 230 1HD2 ASN 33 1HD2 ASN 33 8.923 6.611 -3.424 231 2HD2 ASN 33 2HD2 ASN 33 8.824 8.313 -3.101 232 H ILE 34 H ILE 34 5.672 3.427 -1.616 233 HA ILE 34 HA ILE 34 7.139 1.225 -0.794 234 HB ILE 34 HB ILE 34 4.197 1.470 -1.397 235 1HG1 ILE 34 2HG1 ILE 34 4.739 2.986 0.307 236 2HG1 ILE 34 1HG1 ILE 34 4.163 1.563 1.171 237 1HG2 ILE 34 1HG2 ILE 34 3.857 -0.484 0.021 238 2HG2 ILE 34 2HG2 ILE 34 5.604 -0.691 0.162 239 3HG2 ILE 34 3HG2 ILE 34 4.815 -0.884 -1.405 240 1HD1 ILE 34 1HD1 ILE 34 6.636 2.909 1.430 241 2HD1 ILE 34 2HD1 ILE 34 6.967 1.289 0.819 242 3HD1 ILE 34 3HD1 ILE 34 6.051 1.503 2.316 243 H LEU 35 H LEU 35 5.497 1.765 -3.862 244 HA LEU 35 HA LEU 35 6.082 -0.913 -4.755 245 1HB LEU 35 2HB LEU 35 4.774 1.469 -5.961 246 2HB LEU 35 1HB LEU 35 5.435 0.259 -7.047 247 HG LEU 35 HG LEU 35 4.104 -1.422 -5.684 248 1HD1 LEU 35 1HD1 LEU 35 2.079 -0.560 -4.619 249 2HD1 LEU 35 2HD1 LEU 35 2.680 1.083 -4.847 250 3HD1 LEU 35 3HD1 LEU 35 3.548 -0.035 -3.794 251 1HD2 LEU 35 1HD2 LEU 35 2.105 -1.061 -7.019 252 2HD2 LEU 35 2HD2 LEU 35 3.571 -0.813 -7.968 253 3HD2 LEU 35 3HD2 LEU 35 2.650 0.575 -7.387 254 H ASN 36 H ASN 36 7.029 2.229 -6.104 255 HA ASN 36 HA ASN 36 9.108 0.980 -7.638 256 1HB ASN 36 2HB ASN 36 8.411 3.894 -7.250 257 2HB ASN 36 1HB ASN 36 9.644 3.314 -8.361 258 1HD2 ASN 36 1HD2 ASN 36 8.611 4.160 -10.135 259 2HD2 ASN 36 2HD2 ASN 36 7.135 3.500 -10.771 260 H SER 37 H SER 37 9.056 3.225 -4.884 261 HA SER 37 HA SER 37 11.940 3.413 -4.906 262 1HB SER 37 2HB SER 37 9.958 4.624 -2.975 263 2HB SER 37 1HB SER 37 11.655 5.078 -3.170 264 HG SER 37 HG SER 37 10.775 5.312 -5.544 265 H SER 38 H SER 38 10.026 1.025 -3.732 266 HA SER 38 HA SER 38 11.114 0.402 -1.228 267 1HB SER 38 2HB SER 38 9.316 -0.895 -2.396 268 2HB SER 38 1HB SER 38 10.551 -1.556 -3.469 269 HG SER 38 HG SER 38 10.746 -1.756 -0.643 270 H ARG 39 H ARG 39 13.144 0.059 -0.625 271 HA ARG 39 HA ARG 39 15.247 0.879 -2.200 272 1HB ARG 39 2HB ARG 39 15.332 -0.888 0.244 273 2HB ARG 39 1HB ARG 39 16.719 -0.036 -0.431 274 1HG ARG 39 2HG ARG 39 14.221 1.234 0.672 275 2HG ARG 39 1HG ARG 39 15.796 1.159 1.470 276 1HD ARG 39 2HD ARG 39 16.776 2.455 -0.354 277 2HD ARG 39 1HD ARG 39 15.204 2.532 -1.148 278 HE ARG 39 HE ARG 39 14.753 3.581 1.326 279 1HH1 ARG 39 1HH1 ARG 39 16.974 4.291 -1.281 280 2HH1 ARG 39 2HH1 ARG 39 17.114 5.974 -0.873 281 1HH2 ARG 39 1HH2 ARG 39 14.904 5.799 1.856 282 2HH2 ARG 39 2HH2 ARG 39 15.935 6.835 0.906 283 H THR 40 H THR 40 14.115 -2.376 -1.658 284 HA THR 40 HA THR 40 15.509 -3.399 -3.930 285 HB THR 40 HB THR 40 17.436 -3.578 -2.612 286 HG1 THR 40 1HG THR 40 17.400 -5.599 -3.285 287 1HG2 THR 40 1HG2 THR 40 17.480 -4.323 -0.278 288 2HG2 THR 40 2HG2 THR 40 15.722 -4.474 -0.301 289 3HG2 THR 40 3HG2 THR 40 16.473 -2.887 -0.486 290 H THR 41 H THR 41 15.053 -5.878 -4.027 291 HA THR 41 HA THR 41 12.310 -6.305 -3.375 292 HB THR 41 HB THR 41 14.420 -8.287 -4.215 293 HG1 THR 41 1HG THR 41 12.403 -7.543 -5.980 294 1HG2 THR 41 1HG2 THR 41 12.531 -9.419 -3.142 295 2HG2 THR 41 2HG2 THR 41 12.555 -9.746 -4.876 296 3HG2 THR 41 3HG2 THR 41 11.414 -8.574 -4.215 297 H ALA 42 H ALA 42 15.321 -6.855 -1.778 298 HA ALA 42 HA ALA 42 14.395 -8.529 0.300 299 1HB ALA 42 1HB ALA 42 16.782 -8.069 -0.104 300 2HB ALA 42 2HB ALA 42 16.317 -7.741 1.563 301 3HB ALA 42 3HB ALA 42 16.539 -6.407 0.433 302 H ASP 43 H ASP 43 13.705 -5.316 -0.569 303 HA ASP 43 HA ASP 43 12.606 -4.687 2.088 304 1HB ASP 43 2HB ASP 43 14.047 -3.004 0.865 305 2HB ASP 43 1HB ASP 43 12.796 -2.913 -0.360 306 H ARG 44 H ARG 44 11.852 -5.139 -1.295 307 HA ARG 44 HA ARG 44 9.159 -4.448 -1.317 308 1HB ARG 44 2HB ARG 44 10.675 -6.426 -3.024 309 2HB ARG 44 1HB ARG 44 9.030 -5.891 -3.363 310 1HG ARG 44 2HG ARG 44 9.756 -3.641 -3.693 311 2HG ARG 44 1HG ARG 44 11.380 -4.028 -3.129 312 1HD ARG 44 2HD ARG 44 11.327 -3.848 -5.553 313 2HD ARG 44 1HD ARG 44 11.699 -5.498 -5.054 314 HE ARG 44 HE ARG 44 9.742 -6.216 -6.006 315 1HH1 ARG 44 1HH1 ARG 44 9.749 -2.711 -5.843 316 2HH1 ARG 44 2HH1 ARG 44 8.302 -2.544 -6.787 317 1HH2 ARG 44 1HH2 ARG 44 7.874 -5.997 -7.277 318 2HH2 ARG 44 2HH2 ARG 44 7.237 -4.407 -7.626 319 H ARG 45 H ARG 45 10.684 -7.560 -0.590 320 HA ARG 45 HA ARG 45 8.241 -8.986 -0.390 321 1HB ARG 45 2HB ARG 45 10.918 -9.577 0.888 322 2HB ARG 45 1HB ARG 45 9.556 -10.688 0.844 323 1HG ARG 45 2HG ARG 45 9.673 -10.405 -1.706 324 2HG ARG 45 1HG ARG 45 11.278 -9.739 -1.410 325 1HD ARG 45 2HD ARG 45 10.318 -12.452 -0.517 326 2HD ARG 45 1HD ARG 45 11.327 -12.144 -1.927 327 HE ARG 45 HE ARG 45 12.743 -11.053 0.119 328 1HH1 ARG 45 1HH1 ARG 45 11.246 -14.177 -0.363 329 2HH1 ARG 45 2HH1 ARG 45 12.482 -15.053 0.489 330 1HH2 ARG 45 1HH2 ARG 45 14.384 -12.197 1.267 331 2HH2 ARG 45 2HH2 ARG 45 14.245 -13.926 1.448 332 H ALA 46 H ALA 46 10.273 -7.357 2.002 333 HA ALA 46 HA ALA 46 8.675 -8.065 4.238 334 1HB ALA 46 1HB ALA 46 9.991 -6.415 5.454 335 2HB ALA 46 2HB ALA 46 10.629 -5.788 3.935 336 3HB ALA 46 3HB ALA 46 11.029 -7.427 4.449 337 H VAL 47 H VAL 47 8.893 -5.152 2.231 338 HA VAL 47 HA VAL 47 7.103 -3.562 3.696 339 HB VAL 47 HB VAL 47 8.729 -2.796 1.891 340 1HG1 VAL 47 1HG1 VAL 47 6.467 -3.538 0.048 341 2HG1 VAL 47 2HG1 VAL 47 8.032 -4.343 0.127 342 3HG1 VAL 47 3HG1 VAL 47 7.931 -2.661 -0.393 343 1HG2 VAL 47 1HG2 VAL 47 7.343 -0.903 1.209 344 2HG2 VAL 47 2HG2 VAL 47 7.153 -1.275 2.924 345 3HG2 VAL 47 3HG2 VAL 47 5.906 -1.759 1.772 346 H CYS 48 H CYS 48 6.586 -5.950 1.183 347 HA CYS 48 HA CYS 48 3.818 -5.289 0.825 348 1HB CYS 48 2HB CYS 48 5.156 -6.229 -1.002 349 2HB CYS 48 1HB CYS 48 5.400 -7.708 -0.077 350 H SER 49 H SER 49 5.618 -7.851 2.522 351 HA SER 49 HA SER 49 3.292 -9.204 3.408 352 1HB SER 49 2HB SER 49 6.144 -9.255 4.402 353 2HB SER 49 1HB SER 49 4.877 -10.302 5.037 354 HG SER 49 HG SER 49 6.366 -10.881 3.054 355 H CYS 50 H CYS 50 4.973 -6.395 4.648 356 HA CYS 50 HA CYS 50 3.417 -6.500 7.107 357 1HB CYS 50 2HB CYS 50 5.848 -5.390 6.582 358 2HB CYS 50 1HB CYS 50 4.800 -3.977 6.429 359 H LEU 51 H LEU 51 3.237 -5.255 3.933 360 HA LEU 51 HA LEU 51 1.456 -3.113 4.257 361 1HB LEU 51 2HB LEU 51 2.658 -3.521 2.181 362 2HB LEU 51 1HB LEU 51 1.824 -5.045 1.962 363 HG LEU 51 HG LEU 51 -0.314 -3.770 1.730 364 1HD1 LEU 51 1HD1 LEU 51 -0.182 -1.383 1.252 365 2HD1 LEU 51 2HD1 LEU 51 1.538 -1.396 1.640 366 3HD1 LEU 51 3HD1 LEU 51 0.348 -1.737 2.895 367 1HD2 LEU 51 1HD2 LEU 51 0.919 -4.577 -0.207 368 2HD2 LEU 51 2HD2 LEU 51 1.886 -3.101 -0.220 369 3HD2 LEU 51 3HD2 LEU 51 0.154 -3.025 -0.548 370 H LYS 52 H LYS 52 0.944 -6.592 3.906 371 HA LYS 52 HA LYS 52 -1.894 -6.401 3.765 372 1HB LYS 52 2HB LYS 52 -1.880 -8.852 4.094 373 2HB LYS 52 1HB LYS 52 -0.822 -8.319 2.800 374 1HG LYS 52 2HG LYS 52 1.111 -8.571 4.295 375 2HG LYS 52 1HG LYS 52 0.028 -9.168 5.560 376 1HD LYS 52 2HD LYS 52 -0.516 -11.101 4.323 377 2HD LYS 52 1HD LYS 52 0.152 -10.431 2.834 378 1HE LYS 52 2HE LYS 52 1.709 -12.037 3.576 379 2HE LYS 52 1HE LYS 52 2.402 -10.469 3.975 380 1HZ LYS 52 1HZ LYS 52 2.690 -11.982 5.796 381 2HZ LYS 52 2HZ LYS 52 1.029 -12.319 5.851 382 3HZ LYS 52 3HZ LYS 52 1.595 -10.771 6.263 383 H ALA 53 H ALA 53 0.181 -5.909 6.326 384 HA ALA 53 HA ALA 53 -1.943 -6.518 8.258 385 1HB ALA 53 1HB ALA 53 0.315 -7.237 8.902 386 2HB ALA 53 2HB ALA 53 -0.345 -6.028 10.007 387 3HB ALA 53 3HB ALA 53 0.865 -5.563 8.807 388 H ALA 54 H ALA 54 -0.021 -3.882 6.910 389 HA ALA 54 HA ALA 54 -1.118 -1.779 8.409 390 1HB ALA 54 1HB ALA 54 0.861 -1.490 7.017 391 2HB ALA 54 2HB ALA 54 -0.387 -0.327 6.561 392 3HB ALA 54 3HB ALA 54 -0.104 -1.755 5.565 393 H ALA 55 H ALA 55 -2.159 -3.298 5.390 394 HA ALA 55 HA ALA 55 -4.617 -1.710 5.397 395 1HB ALA 55 1HB ALA 55 -3.577 -3.689 3.371 396 2HB ALA 55 2HB ALA 55 -3.429 -1.934 3.281 397 3HB ALA 55 3HB ALA 55 -5.020 -2.690 3.192 398 H GLY 56 H GLY 56 -3.743 -4.150 7.141 399 1HA GLY 56 2HA GLY 56 -6.279 -5.634 6.801 400 2HA GLY 56 1HA GLY 56 -4.792 -6.374 7.393 401 H ALA 57 H ALA 57 -4.241 -3.840 8.927 402 HA ALA 57 HA ALA 57 -5.575 -4.600 11.356 403 1HB ALA 57 1HB ALA 57 -3.693 -2.307 10.810 404 2HB ALA 57 2HB ALA 57 -3.224 -3.916 11.362 405 3HB ALA 57 3HB ALA 57 -4.203 -2.877 12.401 406 H VAL 58 H VAL 58 -6.532 -2.853 8.795 407 HA VAL 58 HA VAL 58 -7.571 -0.493 10.049 408 HB VAL 58 HB VAL 58 -8.580 -0.048 7.832 409 1HG1 VAL 58 1HG1 VAL 58 -6.439 0.250 6.651 410 2HG1 VAL 58 2HG1 VAL 58 -5.656 -0.786 7.846 411 3HG1 VAL 58 3HG1 VAL 58 -6.355 0.757 8.336 412 1HG2 VAL 58 1HG2 VAL 58 -7.256 -2.649 7.058 413 2HG2 VAL 58 2HG2 VAL 58 -8.000 -1.502 5.943 414 3HG2 VAL 58 3HG2 VAL 58 -8.993 -2.347 7.131 415 H ARG 59 H ARG 59 -9.579 -0.039 10.693 416 HA ARG 59 HA ARG 59 -11.758 -1.854 9.932 417 1HB ARG 59 2HB ARG 59 -11.490 -0.544 12.650 418 2HB ARG 59 1HB ARG 59 -12.835 -1.533 12.113 419 1HG ARG 59 2HG ARG 59 -11.685 -3.034 13.387 420 2HG ARG 59 1HG ARG 59 -10.963 -3.352 11.809 421 1HD ARG 59 2HD ARG 59 -9.306 -3.157 13.648 422 2HD ARG 59 1HD ARG 59 -9.060 -1.994 12.344 423 HE ARG 59 HE ARG 59 -10.607 -1.110 14.661 424 1HH1 ARG 59 1HH1 ARG 59 -7.535 -1.142 12.970 425 2HH1 ARG 59 2HH1 ARG 59 -6.950 0.305 13.748 426 1HH2 ARG 59 1HH2 ARG 59 -9.841 0.798 15.668 427 2HH2 ARG 59 2HH2 ARG 59 -8.251 1.383 15.286 428 H GLY 60 H GLY 60 -13.185 -0.744 8.763 429 1HA GLY 60 2HA GLY 60 -14.676 1.042 8.341 430 2HA GLY 60 1HA GLY 60 -13.752 2.045 9.461 431 H ILE 61 H ILE 61 -11.589 0.472 7.556 432 HA ILE 61 HA ILE 61 -11.136 2.816 5.919 433 HB ILE 61 HB ILE 61 -9.518 0.544 6.845 434 1HG1 ILE 61 2HG1 ILE 61 -7.755 2.301 6.916 435 2HG1 ILE 61 1HG1 ILE 61 -8.900 3.433 6.209 436 1HG2 ILE 61 1HG2 ILE 61 -8.962 1.758 4.142 437 2HG2 ILE 61 2HG2 ILE 61 -9.357 0.072 4.486 438 3HG2 ILE 61 3HG2 ILE 61 -7.833 0.756 5.054 439 1HD1 ILE 61 1HD1 ILE 61 -10.341 3.199 8.160 440 2HD1 ILE 61 2HD1 ILE 61 -8.724 3.739 8.609 441 3HD1 ILE 61 3HD1 ILE 61 -9.198 2.060 8.871 442 H ASN 62 H ASN 62 -11.825 -0.491 5.665 443 HA ASN 62 HA ASN 62 -12.659 -1.854 4.068 444 1HB ASN 62 2HB ASN 62 -13.458 0.770 2.800 445 2HB ASN 62 1HB ASN 62 -13.898 -0.807 2.147 446 1HD2 ASN 62 1HD2 ASN 62 -16.083 -0.451 2.417 447 2HD2 ASN 62 2HD2 ASN 62 -16.833 -0.458 3.984 448 HA PRO 63 HA PRO 63 -8.891 -2.073 1.843 449 1HB PRO 63 2HB PRO 63 -9.628 -4.609 0.760 450 2HB PRO 63 1HB PRO 63 -8.525 -4.255 2.093 451 1HG PRO 63 2HG PRO 63 -11.064 -5.451 2.265 452 2HG PRO 63 1HG PRO 63 -10.041 -4.914 3.602 453 1HD PRO 63 2HD PRO 63 -12.463 -3.713 2.510 454 2HD PRO 63 1HD PRO 63 -11.645 -3.401 4.052 455 H ASN 64 H ASN 64 -12.030 -2.297 0.467 456 HA ASN 64 HA ASN 64 -11.454 -2.278 -2.265 457 1HB ASN 64 2HB ASN 64 -13.622 -0.825 -0.735 458 2HB ASN 64 1HB ASN 64 -13.559 -0.909 -2.489 459 1HD2 ASN 64 1HD2 ASN 64 -15.464 -1.983 -2.704 460 2HD2 ASN 64 2HD2 ASN 64 -15.691 -3.633 -2.198 461 H ASN 65 H ASN 65 -11.398 0.321 0.129 462 HA ASN 65 HA ASN 65 -10.758 2.385 -1.753 463 1HB ASN 65 2HB ASN 65 -10.506 2.311 1.252 464 2HB ASN 65 1HB ASN 65 -10.249 3.735 0.258 465 1HD2 ASN 65 1HD2 ASN 65 -11.874 4.851 1.318 466 2HD2 ASN 65 2HD2 ASN 65 -13.548 4.509 1.055 467 H ALA 66 H ALA 66 -9.023 0.132 0.225 468 HA ALA 66 HA ALA 66 -6.489 1.409 0.072 469 1HB ALA 66 1HB ALA 66 -7.134 -1.467 0.695 470 2HB ALA 66 2HB ALA 66 -7.063 -0.148 1.865 471 3HB ALA 66 3HB ALA 66 -5.605 -0.648 1.010 472 H GLU 67 H GLU 67 -8.096 -1.067 -1.898 473 HA GLU 67 HA GLU 67 -5.724 -1.304 -3.566 474 1HB GLU 67 2HB GLU 67 -6.943 -2.954 -4.844 475 2HB GLU 67 1HB GLU 67 -7.095 -3.308 -3.130 476 1HG GLU 67 2HG GLU 67 -9.335 -2.530 -3.083 477 2HG GLU 67 1HG GLU 67 -9.196 -1.843 -4.706 478 H ALA 68 H ALA 68 -8.483 0.635 -3.368 479 HA ALA 68 HA ALA 68 -8.710 1.388 -6.102 480 1HB ALA 68 1HB ALA 68 -9.909 3.365 -5.206 481 2HB ALA 68 2HB ALA 68 -9.460 2.866 -3.571 482 3HB ALA 68 3HB ALA 68 -10.514 1.845 -4.549 483 H LEU 69 H LEU 69 -6.709 2.297 -3.430 484 HA LEU 69 HA LEU 69 -5.754 4.761 -4.250 485 1HB LEU 69 2HB LEU 69 -5.419 3.955 -2.022 486 2HB LEU 69 1HB LEU 69 -4.462 2.606 -2.592 487 HG LEU 69 HG LEU 69 -2.657 4.072 -3.224 488 1HD1 LEU 69 1HD1 LEU 69 -2.753 6.468 -2.861 489 2HD1 LEU 69 2HD1 LEU 69 -4.419 6.336 -2.297 490 3HD1 LEU 69 3HD1 LEU 69 -4.026 5.966 -3.977 491 1HD2 LEU 69 1HD2 LEU 69 -2.061 4.957 -1.013 492 2HD2 LEU 69 2HD2 LEU 69 -2.721 3.326 -0.911 493 3HD2 LEU 69 3HD2 LEU 69 -3.721 4.711 -0.474 494 HA PRO 70 HA PRO 70 -1.919 2.658 -6.385 495 1HB PRO 70 2HB PRO 70 -2.324 0.047 -7.179 496 2HB PRO 70 1HB PRO 70 -1.433 0.529 -5.730 497 1HG PRO 70 2HG PRO 70 -4.267 -0.386 -6.003 498 2HG PRO 70 1HG PRO 70 -3.073 -0.787 -4.753 499 1HD PRO 70 2HD PRO 70 -5.020 1.003 -4.316 500 2HD PRO 70 1HD PRO 70 -3.396 1.217 -3.631 501 H GLY 71 H GLY 71 -5.239 1.974 -7.121 502 1HA GLY 71 2HA GLY 71 -4.919 1.739 -9.954 503 2HA GLY 71 1HA GLY 71 -6.429 2.004 -9.095 504 H LYS 72 H LYS 72 -5.704 4.388 -7.734 505 HA LYS 72 HA LYS 72 -6.214 6.299 -9.783 506 1HB LYS 72 2HB LYS 72 -5.251 6.911 -6.986 507 2HB LYS 72 1HB LYS 72 -6.165 7.961 -8.057 508 1HG LYS 72 2HG LYS 72 -7.157 5.464 -6.708 509 2HG LYS 72 1HG LYS 72 -7.600 7.129 -6.329 510 1HD LYS 72 2HD LYS 72 -8.199 5.623 -8.871 511 2HD LYS 72 1HD LYS 72 -9.356 6.104 -7.625 512 1HE LYS 72 2HE LYS 72 -7.761 7.942 -9.413 513 2HE LYS 72 1HE LYS 72 -9.489 7.606 -9.525 514 1HZ LYS 72 1HZ LYS 72 -9.316 9.637 -8.418 515 2HZ LYS 72 2HZ LYS 72 -8.045 9.117 -7.434 516 3HZ LYS 72 3HZ LYS 72 -9.614 8.519 -7.177 517 H CYS 73 H CYS 73 -3.387 5.446 -7.868 518 HA CYS 73 HA CYS 73 -1.760 7.553 -8.902 519 1HB CYS 73 2HB CYS 73 -0.842 5.058 -7.468 520 2HB CYS 73 1HB CYS 73 -0.017 6.620 -7.542 521 H GLY 74 H GLY 74 -2.649 4.473 -10.051 522 1HA GLY 74 2HA GLY 74 -2.101 3.333 -11.964 523 2HA GLY 74 1HA GLY 74 -1.454 4.864 -12.547 524 H VAL 75 H VAL 75 -0.514 2.490 -10.052 525 HA VAL 75 HA VAL 75 2.256 2.798 -10.955 526 HB VAL 75 HB VAL 75 2.427 1.163 -8.772 527 1HG1 VAL 75 1HG1 VAL 75 2.388 4.175 -8.696 528 2HG1 VAL 75 2HG1 VAL 75 3.738 3.194 -9.269 529 3HG1 VAL 75 3HG1 VAL 75 3.229 3.094 -7.583 530 1HG2 VAL 75 1HG2 VAL 75 0.077 1.306 -8.246 531 2HG2 VAL 75 2HG2 VAL 75 0.142 3.068 -8.289 532 3HG2 VAL 75 3HG2 VAL 75 1.006 2.186 -7.030 533 H ASN 76 H ASN 76 -0.199 0.893 -11.789 534 HA ASN 76 HA ASN 76 -0.522 -1.250 -12.502 535 1HB ASN 76 2HB ASN 76 1.099 -0.316 -14.186 536 2HB ASN 76 1HB ASN 76 2.401 -1.075 -13.270 537 1HD2 ASN 76 1HD2 ASN 76 2.984 -2.358 -15.021 538 2HD2 ASN 76 2HD2 ASN 76 2.023 -3.711 -15.531 539 H ILE 77 H ILE 77 -0.757 -1.922 -10.250 540 HA ILE 77 HA ILE 77 1.599 -2.911 -8.899 541 HB ILE 77 HB ILE 77 0.037 -1.565 -7.639 542 1HG1 ILE 77 2HG1 ILE 77 -0.013 -4.429 -6.672 543 2HG1 ILE 77 1HG1 ILE 77 1.332 -3.312 -6.465 544 1HG2 ILE 77 1HG2 ILE 77 -2.022 -2.095 -8.788 545 2HG2 ILE 77 2HG2 ILE 77 -2.204 -2.388 -7.059 546 3HG2 ILE 77 3HG2 ILE 77 -1.975 -3.743 -8.165 547 1HD1 ILE 77 1HD1 ILE 77 0.005 -3.501 -4.434 548 2HD1 ILE 77 2HD1 ILE 77 -1.429 -2.972 -5.314 549 3HD1 ILE 77 3HD1 ILE 77 -0.072 -1.867 -5.095 550 HA PRO 78 HA PRO 78 0.820 -7.044 -10.350 551 1HB PRO 78 2HB PRO 78 3.121 -7.897 -8.825 552 2HB PRO 78 1HB PRO 78 2.969 -7.689 -10.573 553 1HG PRO 78 2HG PRO 78 4.531 -6.102 -8.983 554 2HG PRO 78 1HG PRO 78 3.823 -5.572 -10.522 555 1HD PRO 78 2HD PRO 78 2.890 -5.048 -7.722 556 2HD PRO 78 1HD PRO 78 2.942 -3.951 -9.123 557 H TYR 79 H TYR 79 0.677 -6.011 -7.128 558 HA TYR 79 HA TYR 79 -0.526 -8.566 -6.348 559 1HB TYR 79 2HB TYR 79 0.486 -8.298 -4.062 560 2HB TYR 79 1HB TYR 79 1.643 -8.670 -5.333 561 HD1 TYR 79 1HD TYR 79 0.302 -5.901 -3.247 562 HD2 TYR 79 2HD TYR 79 3.462 -7.253 -5.760 563 HE1 TYR 79 1HE TYR 79 1.655 -3.951 -2.596 564 HE2 TYR 79 2HE TYR 79 4.817 -5.308 -5.117 565 HH TYR 79 HH TYR 79 4.038 -3.303 -2.510 566 H LYS 80 H LYS 80 -1.308 -7.933 -3.796 567 HA LYS 80 HA LYS 80 -2.773 -5.422 -3.999 568 1HB LYS 80 2HB LYS 80 -4.029 -8.143 -3.839 569 2HB LYS 80 1HB LYS 80 -4.848 -6.737 -3.169 570 1HG LYS 80 2HG LYS 80 -3.957 -7.055 -6.028 571 2HG LYS 80 1HG LYS 80 -5.612 -7.214 -5.429 572 1HD LYS 80 2HD LYS 80 -5.613 -4.901 -4.721 573 2HD LYS 80 1HD LYS 80 -3.919 -4.729 -5.191 574 1HE LYS 80 2HE LYS 80 -5.473 -3.769 -6.848 575 2HE LYS 80 1HE LYS 80 -4.483 -5.068 -7.509 576 1HZ LYS 80 1HZ LYS 80 -6.853 -5.153 -8.163 577 2HZ LYS 80 2HZ LYS 80 -7.263 -5.449 -6.547 578 3HZ LYS 80 3HZ LYS 80 -6.310 -6.561 -7.395 579 H ILE 81 H ILE 81 -4.198 -5.226 -1.931 580 HA ILE 81 HA ILE 81 -2.323 -5.514 0.286 581 HB ILE 81 HB ILE 81 -3.938 -3.897 1.434 582 1HG1 ILE 81 2HG1 ILE 81 -5.191 -2.441 -0.249 583 2HG1 ILE 81 1HG1 ILE 81 -4.996 -3.758 -1.395 584 1HG2 ILE 81 1HG2 ILE 81 -2.454 -3.013 -1.031 585 2HG2 ILE 81 2HG2 ILE 81 -1.774 -3.228 0.581 586 3HG2 ILE 81 3HG2 ILE 81 -2.966 -1.961 0.290 587 1HD1 ILE 81 1HD1 ILE 81 -7.185 -3.807 -0.373 588 2HD1 ILE 81 2HD1 ILE 81 -6.457 -3.894 1.231 589 3HD1 ILE 81 3HD1 ILE 81 -6.255 -5.230 0.096 590 H SER 82 H SER 82 -4.259 -7.582 -0.826 591 HA SER 82 HA SER 82 -6.258 -8.014 1.132 592 1HB SER 82 2HB SER 82 -5.938 -10.449 -0.023 593 2HB SER 82 1HB SER 82 -6.871 -9.130 -0.741 594 HG SER 82 HG SER 82 -4.224 -9.968 -1.326 595 H THR 83 H THR 83 -6.333 -9.393 2.840 596 HA THR 83 HA THR 83 -4.062 -9.618 4.424 597 HB THR 83 HB THR 83 -6.468 -11.397 4.743 598 HG1 THR 83 1HG THR 83 -7.005 -9.228 6.046 599 1HG2 THR 83 1HG2 THR 83 -6.074 -10.947 7.135 600 2HG2 THR 83 2HG2 THR 83 -4.676 -9.959 6.706 601 3HG2 THR 83 3HG2 THR 83 -4.675 -11.689 6.362 602 H SER 84 H SER 84 -5.629 -12.032 2.350 603 HA SER 84 HA SER 84 -3.520 -13.945 2.997 604 1HB SER 84 2HB SER 84 -5.853 -14.760 3.020 605 2HB SER 84 1HB SER 84 -6.011 -14.325 1.316 606 HG SER 84 HG SER 84 -4.896 -16.038 0.761 607 H THR 85 H THR 85 -2.063 -12.404 1.926 608 HA THR 85 HA THR 85 -1.573 -13.406 -0.768 609 HB THR 85 HB THR 85 -1.546 -10.452 -0.084 610 HG1 THR 85 1HG THR 85 -3.468 -12.082 -1.035 611 1HG2 THR 85 1HG2 THR 85 -0.940 -10.094 -2.425 612 2HG2 THR 85 2HG2 THR 85 -0.901 -11.837 -2.693 613 3HG2 THR 85 3HG2 THR 85 0.277 -11.085 -1.618 614 H ASN 86 H ASN 86 0.334 -14.385 -0.507 615 HA ASN 86 HA ASN 86 2.167 -13.458 1.531 616 1HB ASN 86 2HB ASN 86 3.302 -15.463 1.308 617 2HB ASN 86 1HB ASN 86 1.671 -15.937 0.842 618 1HD2 ASN 86 1HD2 ASN 86 1.241 -16.419 -1.312 619 2HD2 ASN 86 2HD2 ASN 86 2.519 -16.747 -2.444 620 H CYS 87 H CYS 87 3.883 -12.236 1.244 621 HA CYS 87 HA CYS 87 4.640 -11.545 -1.508 622 1HB CYS 87 2HB CYS 87 5.088 -9.928 1.007 623 2HB CYS 87 1HB CYS 87 5.349 -9.400 -0.660 624 H ASN 88 H ASN 88 5.480 -13.777 0.266 625 HA ASN 88 HA ASN 88 8.160 -13.275 1.122 626 1HB ASN 88 2HB ASN 88 6.817 -14.949 2.251 627 2HB ASN 88 1HB ASN 88 6.586 -15.836 0.750 628 1HD2 ASN 88 1HD2 ASN 88 8.146 -17.221 0.046 629 2HD2 ASN 88 2HD2 ASN 88 9.578 -17.600 0.955 630 H SER 89 H SER 89 6.734 -13.923 -1.878 631 HA SER 89 HA SER 89 9.333 -14.743 -2.981 632 1HB SER 89 2HB SER 89 6.581 -15.399 -4.066 633 2HB SER 89 1HB SER 89 8.120 -15.909 -4.763 634 HG SER 89 HG SER 89 8.526 -16.979 -2.718 635 H ILE 90 H ILE 90 6.356 -13.630 -4.500 636 HA ILE 90 HA ILE 90 6.039 -12.150 -6.207 637 HB ILE 90 HB ILE 90 6.211 -9.798 -5.456 638 1HG1 ILE 90 2HG1 ILE 90 7.400 -10.946 -2.916 639 2HG1 ILE 90 1HG1 ILE 90 8.319 -10.051 -4.128 640 1HG2 ILE 90 1HG2 ILE 90 4.648 -10.020 -3.586 641 2HG2 ILE 90 2HG2 ILE 90 5.080 -11.723 -3.440 642 3HG2 ILE 90 3HG2 ILE 90 4.276 -11.140 -4.897 643 1HD1 ILE 90 1HD1 ILE 90 6.005 -8.972 -2.532 644 2HD1 ILE 90 2HD1 ILE 90 6.961 -8.079 -3.716 645 3HD1 ILE 90 3HD1 ILE 90 7.712 -8.652 -2.227 646 H ASN 91 H ASN 91 7.823 -9.575 -6.026 647 HA ASN 91 HA ASN 91 10.397 -10.244 -6.921 648 1HB ASN 91 2HB ASN 91 9.230 -11.088 -8.927 649 2HB ASN 91 1HB ASN 91 8.439 -9.524 -9.123 650 1HD2 ASN 91 1HD2 ASN 91 9.311 -9.105 -11.120 651 2HD2 ASN 91 2HD2 ASN 91 10.994 -8.762 -11.366 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.427 -0.867 3.590 2 2H MET 1 2HT MET 1 13.175 -1.498 4.976 3 3H MET 1 3HT MET 1 12.732 0.136 4.921 4 HA MET 1 HA MET 1 10.416 -0.417 4.887 5 1HB MET 1 2HB MET 1 10.998 -2.635 3.647 6 2HB MET 1 1HB MET 1 11.164 -3.302 5.267 7 1HG MET 1 2HG MET 1 8.690 -1.896 4.307 8 2HG MET 1 1HG MET 1 8.945 -3.630 4.154 9 1HE MET 1 1HE MET 1 10.459 -4.334 6.875 10 2HE MET 1 2HE MET 1 9.126 -5.298 6.235 11 3HE MET 1 3HE MET 1 9.094 -4.752 7.913 12 H THR 2 H THR 2 9.683 0.130 6.778 13 HA THR 2 HA THR 2 10.992 -0.980 9.158 14 HB THR 2 HB THR 2 10.352 1.213 10.257 15 HG1 THR 2 1HG THR 2 10.450 2.827 8.228 16 1HG2 THR 2 1HG2 THR 2 12.417 1.270 8.049 17 2HG2 THR 2 2HG2 THR 2 12.675 0.699 9.697 18 3HG2 THR 2 3HG2 THR 2 12.334 2.402 9.399 19 H CYS 3 H CYS 3 8.324 -1.097 7.465 20 HA CYS 3 HA CYS 3 6.161 -1.639 7.764 21 1HB CYS 3 2HB CYS 3 7.225 -3.015 9.715 22 2HB CYS 3 1HB CYS 3 6.472 -1.794 10.743 23 H GLY 4 H GLY 4 7.610 0.840 9.665 24 1HA GLY 4 2HA GLY 4 5.134 2.349 9.896 25 2HA GLY 4 1HA GLY 4 6.744 2.895 10.369 26 H GLN 5 H GLN 5 8.044 2.177 7.969 27 HA GLN 5 HA GLN 5 7.627 4.183 6.115 28 1HB GLN 5 2HB GLN 5 9.617 2.905 5.965 29 2HB GLN 5 1HB GLN 5 8.735 1.391 5.900 30 1HG GLN 5 2HG GLN 5 7.918 2.007 3.653 31 2HG GLN 5 1HG GLN 5 8.912 3.465 3.725 32 1HE2 GLN 5 1HE2 GLN 5 8.989 1.032 1.953 33 2HE2 GLN 5 2HE2 GLN 5 10.630 0.464 2.075 34 H VAL 6 H VAL 6 6.432 0.839 6.095 35 HA VAL 6 HA VAL 6 4.857 1.056 3.761 36 HB VAL 6 HB VAL 6 4.277 -0.740 6.127 37 1HG1 VAL 6 1HG1 VAL 6 3.621 -1.002 3.198 38 2HG1 VAL 6 2HG1 VAL 6 2.481 -0.670 4.504 39 3HG1 VAL 6 3HG1 VAL 6 3.311 -2.224 4.430 40 1HG2 VAL 6 1HG2 VAL 6 6.518 -1.178 5.615 41 2HG2 VAL 6 2HG2 VAL 6 6.236 -1.028 3.882 42 3HG2 VAL 6 3HG2 VAL 6 5.596 -2.415 4.757 43 H GLN 7 H GLN 7 4.016 1.477 7.185 44 HA GLN 7 HA GLN 7 1.265 1.913 6.766 45 1HB GLN 7 2HB GLN 7 2.348 1.278 8.938 46 2HB GLN 7 1HB GLN 7 2.956 2.926 9.061 47 1HG GLN 7 2HG GLN 7 0.744 3.802 9.231 48 2HG GLN 7 1HG GLN 7 0.037 2.229 8.862 49 1HE2 GLN 7 1HE2 GLN 7 -1.131 2.182 10.765 50 2HE2 GLN 7 2HE2 GLN 7 -0.390 1.910 12.300 51 H GLY 8 H GLY 8 4.049 3.964 6.457 52 1HA GLY 8 2HA GLY 8 2.831 6.489 6.607 53 2HA GLY 8 1HA GLY 8 4.278 6.112 5.683 54 H ASN 9 H ASN 9 3.034 4.155 3.990 55 HA ASN 9 HA ASN 9 2.004 5.643 1.867 56 1HB ASN 9 2HB ASN 9 2.850 3.433 1.481 57 2HB ASN 9 1HB ASN 9 1.683 2.722 2.589 58 1HD2 ASN 9 1HD2 ASN 9 0.975 1.323 0.953 59 2HD2 ASN 9 2HD2 ASN 9 -0.041 1.879 -0.334 60 H LEU 10 H LEU 10 0.214 3.577 4.158 61 HA LEU 10 HA LEU 10 -2.313 4.408 3.147 62 1HB LEU 10 2HB LEU 10 -1.526 2.843 5.595 63 2HB LEU 10 1HB LEU 10 -3.195 3.210 5.204 64 HG LEU 10 HG LEU 10 -2.758 2.032 2.969 65 1HD1 LEU 10 1HD1 LEU 10 -0.382 1.016 4.522 66 2HD1 LEU 10 2HD1 LEU 10 -0.339 1.975 3.044 67 3HD1 LEU 10 3HD1 LEU 10 -0.982 0.334 3.011 68 1HD2 LEU 10 1HD2 LEU 10 -3.168 -0.172 3.956 69 2HD2 LEU 10 2HD2 LEU 10 -4.138 1.084 4.724 70 3HD2 LEU 10 3HD2 LEU 10 -2.705 0.456 5.538 71 H ALA 11 H ALA 11 -0.189 5.635 5.577 72 HA ALA 11 HA ALA 11 -1.998 6.946 7.259 73 1HB ALA 11 1HB ALA 11 0.792 7.813 6.524 74 2HB ALA 11 2HB ALA 11 0.374 6.660 7.788 75 3HB ALA 11 3HB ALA 11 -0.125 8.344 7.932 76 H GLN 12 H GLN 12 -0.703 7.872 4.128 77 HA GLN 12 HA GLN 12 -1.899 10.513 4.263 78 1HB GLN 12 2HB GLN 12 -0.729 9.129 1.851 79 2HB GLN 12 1HB GLN 12 -1.021 10.848 2.047 80 1HG GLN 12 2HG GLN 12 0.907 9.287 3.710 81 2HG GLN 12 1HG GLN 12 1.362 10.127 2.237 82 1HE2 GLN 12 1HE2 GLN 12 2.756 11.526 3.215 83 2HE2 GLN 12 2HE2 GLN 12 2.247 12.785 4.294 84 H CYS 13 H CYS 13 -2.506 7.389 2.863 85 HA CYS 13 HA CYS 13 -4.535 8.326 1.075 86 1HB CYS 13 2HB CYS 13 -3.696 5.531 1.845 87 2HB CYS 13 1HB CYS 13 -4.768 5.942 0.507 88 H ILE 14 H ILE 14 -4.465 7.201 4.315 89 HA ILE 14 HA ILE 14 -6.857 5.937 4.715 90 HB ILE 14 HB ILE 14 -5.109 7.600 6.403 91 1HG1 ILE 14 2HG1 ILE 14 -6.469 4.904 6.771 92 2HG1 ILE 14 1HG1 ILE 14 -4.824 5.178 6.190 93 1HG2 ILE 14 1HG2 ILE 14 -7.908 6.968 7.331 94 2HG2 ILE 14 2HG2 ILE 14 -7.312 8.576 6.904 95 3HG2 ILE 14 3HG2 ILE 14 -6.621 7.711 8.284 96 1HD1 ILE 14 1HD1 ILE 14 -4.184 6.084 8.337 97 2HD1 ILE 14 2HD1 ILE 14 -4.883 4.476 8.527 98 3HD1 ILE 14 3HD1 ILE 14 -5.835 5.907 8.928 99 H GLY 15 H GLY 15 -6.367 9.418 4.284 100 1HA GLY 15 2HA GLY 15 -8.897 10.253 5.185 101 2HA GLY 15 1HA GLY 15 -7.874 11.142 4.085 102 H PHE 16 H PHE 16 -8.000 8.713 2.266 103 HA PHE 16 HA PHE 16 -10.707 9.125 1.171 104 1HB PHE 16 2HB PHE 16 -9.263 9.757 -0.536 105 2HB PHE 16 1HB PHE 16 -8.027 8.604 -0.040 106 HD1 PHE 16 1HD PHE 16 -11.306 8.924 -1.727 107 HD2 PHE 16 2HD PHE 16 -7.893 6.475 -1.048 108 HE1 PHE 16 1HE PHE 16 -12.056 7.392 -3.500 109 HE2 PHE 16 2HE PHE 16 -8.638 4.940 -2.819 110 HZ PHE 16 HZ PHE 16 -10.731 5.359 -4.011 111 H LEU 17 H LEU 17 -8.254 6.878 2.074 112 HA LEU 17 HA LEU 17 -9.302 4.437 1.243 113 1HB LEU 17 2HB LEU 17 -7.001 5.043 2.085 114 2HB LEU 17 1HB LEU 17 -7.671 5.033 3.699 115 HG LEU 17 HG LEU 17 -8.143 2.675 3.524 116 1HD1 LEU 17 1HD1 LEU 17 -8.569 2.513 1.150 117 2HD1 LEU 17 2HD1 LEU 17 -7.275 1.401 1.602 118 3HD1 LEU 17 3HD1 LEU 17 -6.889 2.924 0.797 119 1HD2 LEU 17 1HD2 LEU 17 -5.312 3.399 2.786 120 2HD2 LEU 17 2HD2 LEU 17 -5.826 1.871 3.503 121 3HD2 LEU 17 3HD2 LEU 17 -5.997 3.372 4.412 122 H GLN 18 H GLN 18 -9.983 6.374 4.110 123 HA GLN 18 HA GLN 18 -11.644 4.275 5.244 124 1HB GLN 18 2HB GLN 18 -10.054 5.380 6.723 125 2HB GLN 18 1HB GLN 18 -10.713 6.955 6.295 126 1HG GLN 18 2HG GLN 18 -12.872 6.220 7.247 127 2HG GLN 18 1HG GLN 18 -12.066 4.765 7.825 128 1HE2 GLN 18 1HE2 GLN 18 -9.581 6.248 8.362 129 2HE2 GLN 18 2HE2 GLN 18 -9.863 7.134 9.823 130 H LYS 19 H LYS 19 -11.802 7.700 4.375 131 HA LYS 19 HA LYS 19 -14.602 7.924 4.870 132 1HB LYS 19 2HB LYS 19 -12.640 9.767 3.518 133 2HB LYS 19 1HB LYS 19 -14.309 10.190 3.882 134 1HG LYS 19 2HG LYS 19 -13.936 10.144 6.193 135 2HG LYS 19 1HG LYS 19 -12.407 9.278 6.012 136 1HD LYS 19 2HD LYS 19 -12.030 11.625 6.541 137 2HD LYS 19 1HD LYS 19 -11.424 11.222 4.938 138 1HE LYS 19 2HE LYS 19 -13.550 12.124 3.994 139 2HE LYS 19 1HE LYS 19 -13.974 12.674 5.613 140 1HZ LYS 19 1HZ LYS 19 -11.865 13.967 5.592 141 2HZ LYS 19 2HZ LYS 19 -13.006 14.488 4.452 142 3HZ LYS 19 3HZ LYS 19 -11.676 13.564 3.956 143 H GLY 20 H GLY 20 -12.671 8.172 1.887 144 1HA GLY 20 2HA GLY 20 -13.370 7.164 -0.183 145 2HA GLY 20 1HA GLY 20 -15.039 7.314 0.364 146 H GLY 21 H GLY 21 -13.544 8.325 -2.075 147 1HA GLY 21 2HA GLY 21 -14.851 10.421 -2.925 148 2HA GLY 21 1HA GLY 21 -13.849 11.224 -1.720 149 H VAL 22 H VAL 22 -11.963 11.975 -2.335 150 HA VAL 22 HA VAL 22 -10.980 11.157 -4.980 151 HB VAL 22 HB VAL 22 -9.943 13.350 -5.155 152 1HG1 VAL 22 1HG1 VAL 22 -12.202 13.106 -5.994 153 2HG1 VAL 22 2HG1 VAL 22 -11.968 14.722 -5.328 154 3HG1 VAL 22 3HG1 VAL 22 -12.855 13.508 -4.404 155 1HG2 VAL 22 1HG2 VAL 22 -11.189 13.924 -2.472 156 2HG2 VAL 22 2HG2 VAL 22 -10.375 15.105 -3.500 157 3HG2 VAL 22 3HG2 VAL 22 -9.464 13.761 -2.807 158 H VAL 23 H VAL 23 -8.724 10.971 -5.320 159 HA VAL 23 HA VAL 23 -7.256 10.217 -2.897 160 HB VAL 23 HB VAL 23 -6.633 9.636 -5.801 161 1HG1 VAL 23 1HG1 VAL 23 -5.251 8.704 -3.281 162 2HG1 VAL 23 2HG1 VAL 23 -4.584 9.773 -4.517 163 3HG1 VAL 23 3HG1 VAL 23 -4.934 8.089 -4.904 164 1HG2 VAL 23 1HG2 VAL 23 -8.575 8.414 -5.025 165 2HG2 VAL 23 2HG2 VAL 23 -7.687 7.865 -3.602 166 3HG2 VAL 23 3HG2 VAL 23 -7.203 7.319 -5.209 167 HA PRO 24 HA PRO 24 -4.970 14.013 -3.421 168 1HB PRO 24 2HB PRO 24 -3.501 13.811 -1.180 169 2HB PRO 24 1HB PRO 24 -5.223 14.208 -1.133 170 1HG PRO 24 2HG PRO 24 -3.865 11.586 -0.630 171 2HG PRO 24 1HG PRO 24 -5.206 12.343 0.256 172 1HD PRO 24 2HD PRO 24 -5.516 10.376 -1.629 173 2HD PRO 24 1HD PRO 24 -6.762 11.572 -1.229 174 HA PRO 25 HA PRO 25 -1.201 12.612 -5.403 175 1HB PRO 25 2HB PRO 25 -0.199 15.314 -4.700 176 2HB PRO 25 1HB PRO 25 -0.316 14.530 -6.282 177 1HG PRO 25 2HG PRO 25 -1.993 16.491 -5.593 178 2HG PRO 25 1HG PRO 25 -2.543 15.103 -6.549 179 1HD PRO 25 2HD PRO 25 -2.929 15.675 -3.636 180 2HD PRO 25 1HD PRO 25 -4.065 14.977 -4.808 181 H SER 26 H SER 26 -1.505 13.723 -2.221 182 HA SER 26 HA SER 26 1.186 13.394 -1.310 183 1HB SER 26 2HB SER 26 -1.326 13.223 0.365 184 2HB SER 26 1HB SER 26 0.280 13.777 0.863 185 HG SER 26 HG SER 26 -0.939 15.599 0.526 186 H CYS 27 H CYS 27 -1.829 11.617 -0.919 187 HA CYS 27 HA CYS 27 -0.939 9.186 0.035 188 1HB CYS 27 2HB CYS 27 -3.298 9.604 -0.174 189 2HB CYS 27 1HB CYS 27 -3.143 9.962 -1.886 190 H CYS 28 H CYS 28 -1.225 10.350 -3.292 191 HA CYS 28 HA CYS 28 -0.369 8.026 -4.539 192 1HB CYS 28 2HB CYS 28 -0.473 10.881 -5.431 193 2HB CYS 28 1HB CYS 28 0.116 9.597 -6.496 194 H THR 29 H THR 29 1.445 10.603 -3.120 195 HA THR 29 HA THR 29 3.941 9.780 -4.255 196 HB THR 29 HB THR 29 3.291 11.600 -1.922 197 HG1 THR 29 1HG THR 29 2.691 12.570 -3.823 198 1HG2 THR 29 1HG2 THR 29 5.622 12.370 -2.084 199 2HG2 THR 29 2HG2 THR 29 5.948 11.105 -3.270 200 3HG2 THR 29 3HG2 THR 29 5.516 10.673 -1.614 201 H GLY 30 H GLY 30 2.130 9.171 -1.301 202 1HA GLY 30 2HA GLY 30 4.207 7.820 0.097 203 2HA GLY 30 1HA GLY 30 2.487 7.740 0.464 204 H VAL 31 H VAL 31 1.567 6.685 -2.006 205 HA VAL 31 HA VAL 31 2.135 3.924 -1.658 206 HB VAL 31 HB VAL 31 1.035 5.004 -4.242 207 1HG1 VAL 31 1HG1 VAL 31 -0.301 2.948 -4.142 208 2HG1 VAL 31 2HG1 VAL 31 0.463 2.547 -2.598 209 3HG1 VAL 31 3HG1 VAL 31 1.431 2.618 -4.072 210 1HG2 VAL 31 1HG2 VAL 31 -1.219 5.006 -3.256 211 2HG2 VAL 31 2HG2 VAL 31 -0.177 6.229 -2.534 212 3HG2 VAL 31 3HG2 VAL 31 -0.512 4.731 -1.667 213 H LYS 32 H LYS 32 3.056 6.275 -4.131 214 HA LYS 32 HA LYS 32 4.683 4.666 -5.705 215 1HB LYS 32 2HB LYS 32 3.908 7.019 -6.171 216 2HB LYS 32 1HB LYS 32 5.157 7.581 -5.072 217 1HG LYS 32 2HG LYS 32 6.878 6.668 -6.511 218 2HG LYS 32 1HG LYS 32 5.649 6.010 -7.595 219 1HD LYS 32 2HD LYS 32 6.082 8.935 -6.977 220 2HD LYS 32 1HD LYS 32 6.567 8.107 -8.460 221 1HE LYS 32 2HE LYS 32 4.272 7.654 -9.017 222 2HE LYS 32 1HE LYS 32 3.726 8.293 -7.469 223 1HZ LYS 32 1HZ LYS 32 3.425 9.866 -9.303 224 2HZ LYS 32 2HZ LYS 32 5.101 9.885 -9.569 225 3HZ LYS 32 3HZ LYS 32 4.466 10.474 -8.109 226 H ASN 33 H ASN 33 5.233 6.132 -2.605 227 HA ASN 33 HA ASN 33 8.048 5.838 -2.466 228 1HB ASN 33 2HB ASN 33 6.768 7.320 -0.962 229 2HB ASN 33 1HB ASN 33 5.998 5.910 -0.233 230 1HD2 ASN 33 1HD2 ASN 33 8.896 7.796 -0.466 231 2HD2 ASN 33 2HD2 ASN 33 9.720 7.062 0.862 232 H ILE 34 H ILE 34 5.444 3.871 -0.983 233 HA ILE 34 HA ILE 34 7.094 1.779 -0.144 234 HB ILE 34 HB ILE 34 4.235 2.296 -0.352 235 1HG1 ILE 34 2HG1 ILE 34 4.238 1.576 1.866 236 2HG1 ILE 34 1HG1 ILE 34 5.593 0.481 1.608 237 1HG2 ILE 34 1HG2 ILE 34 5.102 -0.589 -0.478 238 2HG2 ILE 34 2HG2 ILE 34 4.221 0.285 -1.733 239 3HG2 ILE 34 3HG2 ILE 34 3.467 -0.006 -0.163 240 1HD1 ILE 34 1HD1 ILE 34 5.778 3.485 1.611 241 2HD1 ILE 34 2HD1 ILE 34 7.124 2.345 1.459 242 3HD1 ILE 34 3HD1 ILE 34 6.197 2.431 2.963 243 H LEU 35 H LEU 35 5.935 2.541 -3.272 244 HA LEU 35 HA LEU 35 6.515 -0.037 -4.401 245 1HB LEU 35 2HB LEU 35 5.548 2.571 -5.353 246 2HB LEU 35 1HB LEU 35 6.488 1.662 -6.518 247 HG LEU 35 HG LEU 35 4.931 -0.202 -6.326 248 1HD1 LEU 35 1HD1 LEU 35 2.822 0.053 -5.111 249 2HD1 LEU 35 2HD1 LEU 35 3.392 1.588 -4.456 250 3HD1 LEU 35 3HD1 LEU 35 4.209 0.086 -4.022 251 1HD2 LEU 35 1HD2 LEU 35 4.572 1.494 -8.011 252 2HD2 LEU 35 2HD2 LEU 35 3.615 2.440 -6.874 253 3HD2 LEU 35 3HD2 LEU 35 3.034 0.867 -7.418 254 H ASN 36 H ASN 36 7.903 3.131 -5.180 255 HA ASN 36 HA ASN 36 10.222 1.823 -6.303 256 1HB ASN 36 2HB ASN 36 9.239 4.655 -6.261 257 2HB ASN 36 1HB ASN 36 10.887 4.291 -6.762 258 1HD2 ASN 36 1HD2 ASN 36 7.525 4.042 -7.571 259 2HD2 ASN 36 2HD2 ASN 36 7.746 3.489 -9.197 260 H SER 37 H SER 37 9.526 3.773 -3.459 261 HA SER 37 HA SER 37 12.324 4.261 -2.947 262 1HB SER 37 2HB SER 37 9.941 4.841 -1.178 263 2HB SER 37 1HB SER 37 11.573 5.496 -0.994 264 HG SER 37 HG SER 37 10.744 5.965 -3.484 265 H SER 38 H SER 38 10.166 1.715 -2.275 266 HA SER 38 HA SER 38 11.270 0.650 0.074 267 1HB SER 38 2HB SER 38 9.340 -0.167 -1.622 268 2HB SER 38 1HB SER 38 10.647 -1.228 -2.153 269 HG SER 38 HG SER 38 10.705 -1.312 0.456 270 H ARG 39 H ARG 39 12.212 0.279 -3.312 271 HA ARG 39 HA ARG 39 14.270 0.800 -4.201 272 1HB ARG 39 2HB ARG 39 14.849 1.713 -1.862 273 2HB ARG 39 1HB ARG 39 15.603 0.148 -1.588 274 1HG ARG 39 2HG ARG 39 17.046 0.536 -3.548 275 2HG ARG 39 1HG ARG 39 16.336 2.144 -3.718 276 1HD ARG 39 2HD ARG 39 17.041 2.527 -1.300 277 2HD ARG 39 1HD ARG 39 18.020 1.071 -1.475 278 HE ARG 39 HE ARG 39 18.391 3.194 -3.444 279 1HH1 ARG 39 1HH1 ARG 39 19.596 1.465 -0.639 280 2HH1 ARG 39 2HH1 ARG 39 21.181 2.168 -0.721 281 1HH2 ARG 39 1HH2 ARG 39 20.446 4.151 -3.529 282 2HH2 ARG 39 2HH2 ARG 39 21.677 3.686 -2.384 283 H THR 40 H THR 40 14.658 -1.726 -1.745 284 HA THR 40 HA THR 40 15.968 -3.347 -3.811 285 HB THR 40 HB THR 40 17.465 -3.085 -2.036 286 HG1 THR 40 1HG THR 40 17.864 -5.142 -1.900 287 1HG2 THR 40 1HG2 THR 40 16.905 -3.422 0.330 288 2HG2 THR 40 2HG2 THR 40 15.225 -3.732 -0.119 289 3HG2 THR 40 3HG2 THR 40 15.933 -2.136 -0.395 290 H THR 41 H THR 41 15.595 -5.657 -3.770 291 HA THR 41 HA THR 41 12.848 -6.349 -3.776 292 HB THR 41 HB THR 41 15.215 -8.201 -3.624 293 HG1 THR 41 1HG THR 41 14.422 -6.469 -5.579 294 1HG2 THR 41 1HG2 THR 41 13.770 -9.780 -4.833 295 2HG2 THR 41 2HG2 THR 41 12.453 -8.608 -4.787 296 3HG2 THR 41 3HG2 THR 41 13.058 -9.312 -3.289 297 H ALA 42 H ALA 42 15.428 -6.596 -1.442 298 HA ALA 42 HA ALA 42 14.154 -8.280 0.429 299 1HB ALA 42 1HB ALA 42 15.782 -7.408 2.029 300 2HB ALA 42 2HB ALA 42 16.211 -6.122 0.901 301 3HB ALA 42 3HB ALA 42 16.554 -7.805 0.494 302 H ASP 43 H ASP 43 13.673 -5.013 -0.483 303 HA ASP 43 HA ASP 43 12.091 -4.431 1.915 304 1HB ASP 43 2HB ASP 43 13.528 -2.803 0.049 305 2HB ASP 43 1HB ASP 43 11.822 -2.414 -0.083 306 H ARG 44 H ARG 44 11.851 -4.887 -1.528 307 HA ARG 44 HA ARG 44 9.197 -4.153 -1.935 308 1HB ARG 44 2HB ARG 44 10.917 -4.454 -3.688 309 2HB ARG 44 1HB ARG 44 10.844 -6.193 -3.437 310 1HG ARG 44 2HG ARG 44 8.698 -6.347 -4.355 311 2HG ARG 44 1HG ARG 44 8.436 -4.602 -4.248 312 1HD ARG 44 2HD ARG 44 9.982 -4.169 -5.989 313 2HD ARG 44 1HD ARG 44 10.610 -5.817 -5.937 314 HE ARG 44 HE ARG 44 8.337 -6.500 -6.755 315 1HH1 ARG 44 1HH1 ARG 44 9.638 -3.316 -7.445 316 2HH1 ARG 44 2HH1 ARG 44 8.755 -3.141 -8.932 317 1HH2 ARG 44 1HH2 ARG 44 7.182 -6.275 -8.670 318 2HH2 ARG 44 2HH2 ARG 44 7.333 -4.829 -9.629 319 H ARG 45 H ARG 45 10.555 -7.166 -0.762 320 HA ARG 45 HA ARG 45 7.943 -8.452 -0.801 321 1HB ARG 45 2HB ARG 45 10.623 -9.380 0.232 322 2HB ARG 45 1HB ARG 45 9.151 -10.336 0.326 323 1HG ARG 45 2HG ARG 45 8.982 -10.214 -2.145 324 2HG ARG 45 1HG ARG 45 10.552 -9.408 -2.163 325 1HD ARG 45 2HD ARG 45 11.570 -11.336 -1.093 326 2HD ARG 45 1HD ARG 45 10.001 -12.138 -1.014 327 HE ARG 45 HE ARG 45 10.089 -11.930 -3.562 328 1HH1 ARG 45 1HH1 ARG 45 12.871 -12.384 -1.490 329 2HH1 ARG 45 2HH1 ARG 45 13.806 -13.204 -2.707 330 1HH2 ARG 45 1HH2 ARG 45 11.320 -13.011 -5.174 331 2HH2 ARG 45 2HH2 ARG 45 12.933 -13.547 -4.804 332 H ALA 46 H ALA 46 10.244 -7.178 1.547 333 HA ALA 46 HA ALA 46 8.864 -7.943 3.875 334 1HB ALA 46 1HB ALA 46 10.735 -5.611 3.478 335 2HB ALA 46 2HB ALA 46 11.204 -7.258 3.898 336 3HB ALA 46 3HB ALA 46 10.252 -6.296 5.028 337 H VAL 47 H VAL 47 8.578 -5.107 1.807 338 HA VAL 47 HA VAL 47 6.882 -3.611 3.503 339 HB VAL 47 HB VAL 47 8.069 -2.619 1.573 340 1HG1 VAL 47 1HG1 VAL 47 6.051 -4.079 -0.116 341 2HG1 VAL 47 2HG1 VAL 47 7.791 -4.368 -0.074 342 3HG1 VAL 47 3HG1 VAL 47 7.166 -2.836 -0.687 343 1HG2 VAL 47 1HG2 VAL 47 6.203 -1.426 2.533 344 2HG2 VAL 47 2HG2 VAL 47 5.081 -2.298 1.489 345 3HG2 VAL 47 3HG2 VAL 47 6.251 -1.180 0.788 346 H CYS 48 H CYS 48 6.302 -6.217 1.249 347 HA CYS 48 HA CYS 48 3.461 -5.978 1.237 348 1HB CYS 48 2HB CYS 48 4.679 -7.204 -0.520 349 2HB CYS 48 1HB CYS 48 5.214 -8.385 0.673 350 H SER 49 H SER 49 5.801 -7.841 3.135 351 HA SER 49 HA SER 49 3.964 -9.337 4.634 352 1HB SER 49 2HB SER 49 6.710 -8.368 5.471 353 2HB SER 49 1HB SER 49 5.817 -9.705 6.195 354 HG SER 49 HG SER 49 6.938 -10.793 4.760 355 H CYS 50 H CYS 50 5.048 -6.034 4.962 356 HA CYS 50 HA CYS 50 3.619 -5.746 7.485 357 1HB CYS 50 2HB CYS 50 5.726 -4.536 7.278 358 2HB CYS 50 1HB CYS 50 5.137 -3.724 5.831 359 H LEU 51 H LEU 51 3.340 -4.870 4.084 360 HA LEU 51 HA LEU 51 1.210 -3.170 4.069 361 1HB LEU 51 2HB LEU 51 2.305 -3.756 2.033 362 2HB LEU 51 1HB LEU 51 1.888 -5.447 2.215 363 HG LEU 51 HG LEU 51 -0.514 -4.829 1.886 364 1HD1 LEU 51 1HD1 LEU 51 0.641 -2.151 1.141 365 2HD1 LEU 51 2HD1 LEU 51 -0.378 -2.489 2.541 366 3HD1 LEU 51 3HD1 LEU 51 -1.032 -2.661 0.913 367 1HD2 LEU 51 1HD2 LEU 51 0.804 -5.725 0.063 368 2HD2 LEU 51 2HD2 LEU 51 1.401 -4.113 -0.328 369 3HD2 LEU 51 3HD2 LEU 51 -0.309 -4.493 -0.535 370 H LYS 52 H LYS 52 1.135 -6.701 4.375 371 HA LYS 52 HA LYS 52 -1.666 -6.964 4.222 372 1HB LYS 52 2HB LYS 52 -1.333 -9.233 5.035 373 2HB LYS 52 1HB LYS 52 -0.155 -8.831 3.801 374 1HG LYS 52 2HG LYS 52 1.506 -8.412 5.603 375 2HG LYS 52 1HG LYS 52 0.312 -9.008 6.764 376 1HD LYS 52 2HD LYS 52 0.238 -11.152 5.641 377 2HD LYS 52 1HD LYS 52 1.336 -10.567 4.391 378 1HE LYS 52 2HE LYS 52 2.592 -11.910 5.913 379 2HE LYS 52 1HE LYS 52 3.055 -10.227 6.160 380 1HZ LYS 52 1HZ LYS 52 1.088 -11.688 7.841 381 2HZ LYS 52 2HZ LYS 52 1.715 -10.134 8.124 382 3HZ LYS 52 3HZ LYS 52 2.727 -11.492 8.236 383 H ALA 53 H ALA 53 0.412 -6.056 6.845 384 HA ALA 53 HA ALA 53 -1.724 -6.397 8.801 385 1HB ALA 53 1HB ALA 53 0.546 -6.867 9.553 386 2HB ALA 53 2HB ALA 53 -0.153 -5.508 10.441 387 3HB ALA 53 3HB ALA 53 1.027 -5.214 9.160 388 H ALA 54 H ALA 54 -0.112 -3.892 6.963 389 HA ALA 54 HA ALA 54 -1.280 -1.661 8.234 390 1HB ALA 54 1HB ALA 54 -0.390 -1.943 5.363 391 2HB ALA 54 2HB ALA 54 0.637 -1.479 6.719 392 3HB ALA 54 3HB ALA 54 -0.685 -0.425 6.213 393 H ALA 55 H ALA 55 -2.261 -3.547 5.388 394 HA ALA 55 HA ALA 55 -4.718 -2.124 5.023 395 1HB ALA 55 1HB ALA 55 -5.244 -3.854 3.387 396 2HB ALA 55 2HB ALA 55 -3.890 -4.826 3.963 397 3HB ALA 55 3HB ALA 55 -3.592 -3.277 3.172 398 H GLY 56 H GLY 56 -3.683 -4.489 7.200 399 1HA GLY 56 2HA GLY 56 -6.423 -5.407 7.725 400 2HA GLY 56 1HA GLY 56 -4.955 -6.135 8.369 401 H ALA 57 H ALA 57 -4.340 -3.004 8.699 402 HA ALA 57 HA ALA 57 -5.055 -3.013 11.504 403 1HB ALA 57 1HB ALA 57 -2.820 -2.293 10.821 404 2HB ALA 57 2HB ALA 57 -3.682 -1.000 11.655 405 3HB ALA 57 3HB ALA 57 -3.524 -0.966 9.899 406 H VAL 58 H VAL 58 -6.520 -2.131 8.705 407 HA VAL 58 HA VAL 58 -7.532 0.441 9.094 408 HB VAL 58 HB VAL 58 -9.256 -0.190 7.448 409 1HG1 VAL 58 1HG1 VAL 58 -7.656 -0.719 5.633 410 2HG1 VAL 58 2HG1 VAL 58 -6.434 -1.086 6.849 411 3HG1 VAL 58 3HG1 VAL 58 -7.073 0.557 6.707 412 1HG2 VAL 58 1HG2 VAL 58 -9.654 -2.503 8.159 413 2HG2 VAL 58 2HG2 VAL 58 -8.027 -2.943 7.637 414 3HG2 VAL 58 3HG2 VAL 58 -9.224 -2.422 6.451 415 H ARG 59 H ARG 59 -8.642 1.120 10.790 416 HA ARG 59 HA ARG 59 -10.877 -0.511 11.797 417 1HB ARG 59 2HB ARG 59 -9.030 0.111 13.411 418 2HB ARG 59 1HB ARG 59 -9.499 1.790 13.191 419 1HG ARG 59 2HG ARG 59 -10.504 1.057 15.196 420 2HG ARG 59 1HG ARG 59 -11.792 1.148 13.993 421 1HD ARG 59 2HD ARG 59 -10.333 -1.416 14.471 422 2HD ARG 59 1HD ARG 59 -11.638 -0.922 15.549 423 HE ARG 59 HE ARG 59 -12.805 -0.723 13.136 424 1HH1 ARG 59 1HH1 ARG 59 -10.932 -3.266 14.650 425 2HH1 ARG 59 2HH1 ARG 59 -11.727 -4.547 13.786 426 1HH2 ARG 59 1HH2 ARG 59 -13.871 -2.407 12.001 427 2HH2 ARG 59 2HH2 ARG 59 -13.402 -4.063 12.276 428 H GLY 60 H GLY 60 -12.465 0.149 10.393 429 1HA GLY 60 2HA GLY 60 -14.241 1.665 9.926 430 2HA GLY 60 1HA GLY 60 -13.217 2.999 10.468 431 H ILE 61 H ILE 61 -11.085 1.408 8.866 432 HA ILE 61 HA ILE 61 -11.409 2.979 6.457 433 HB ILE 61 HB ILE 61 -9.103 1.284 7.446 434 1HG1 ILE 61 2HG1 ILE 61 -7.931 3.541 7.434 435 2HG1 ILE 61 1HG1 ILE 61 -9.521 4.263 7.222 436 1HG2 ILE 61 1HG2 ILE 61 -9.154 1.174 5.034 437 2HG2 ILE 61 2HG2 ILE 61 -7.808 2.181 5.572 438 3HG2 ILE 61 3HG2 ILE 61 -9.270 2.931 4.933 439 1HD1 ILE 61 1HD1 ILE 61 -8.618 2.592 9.547 440 2HD1 ILE 61 2HD1 ILE 61 -10.240 3.249 9.322 441 3HD1 ILE 61 3HD1 ILE 61 -8.869 4.338 9.528 442 H ASN 62 H ASN 62 -11.257 2.079 4.392 443 HA ASN 62 HA ASN 62 -12.211 -0.704 4.241 444 1HB ASN 62 2HB ASN 62 -13.005 1.693 2.584 445 2HB ASN 62 1HB ASN 62 -13.339 0.034 2.084 446 1HD2 ASN 62 1HD2 ASN 62 -14.108 2.566 4.324 447 2HD2 ASN 62 2HD2 ASN 62 -15.536 1.834 4.983 448 HA PRO 63 HA PRO 63 -8.421 -1.093 1.986 449 1HB PRO 63 2HB PRO 63 -8.826 -3.847 1.569 450 2HB PRO 63 1HB PRO 63 -7.880 -3.087 2.856 451 1HG PRO 63 2HG PRO 63 -10.360 -4.484 3.070 452 2HG PRO 63 1HG PRO 63 -9.418 -3.725 4.358 453 1HD PRO 63 2HD PRO 63 -11.853 -2.809 3.070 454 2HD PRO 63 1HD PRO 63 -11.068 -2.197 4.536 455 H ASN 64 H ASN 64 -11.598 -1.787 0.937 456 HA ASN 64 HA ASN 64 -11.191 -2.473 -1.738 457 1HB ASN 64 2HB ASN 64 -13.411 -2.527 -0.846 458 2HB ASN 64 1HB ASN 64 -13.343 -0.827 -0.397 459 1HD2 ASN 64 1HD2 ASN 64 -13.583 -3.079 -3.062 460 2HD2 ASN 64 2HD2 ASN 64 -14.250 -1.945 -4.200 461 H ASN 65 H ASN 65 -11.038 0.628 -0.091 462 HA ASN 65 HA ASN 65 -10.757 2.184 -2.474 463 1HB ASN 65 2HB ASN 65 -10.187 2.822 0.416 464 2HB ASN 65 1HB ASN 65 -10.082 3.991 -0.892 465 1HD2 ASN 65 1HD2 ASN 65 -11.953 4.743 -1.853 466 2HD2 ASN 65 2HD2 ASN 65 -13.516 4.494 -1.164 467 H ALA 66 H ALA 66 -8.645 0.275 -0.560 468 HA ALA 66 HA ALA 66 -6.212 1.592 -1.275 469 1HB ALA 66 1HB ALA 66 -5.090 -0.369 -0.402 470 2HB ALA 66 2HB ALA 66 -6.613 -1.256 -0.367 471 3HB ALA 66 3HB ALA 66 -6.377 0.131 0.696 472 H GLU 67 H GLU 67 -8.303 -0.677 -2.797 473 HA GLU 67 HA GLU 67 -6.481 -1.535 -4.827 474 1HB GLU 67 2HB GLU 67 -8.488 -2.825 -4.224 475 2HB GLU 67 1HB GLU 67 -9.510 -1.497 -4.752 476 1HG GLU 67 2HG GLU 67 -9.528 -3.145 -6.454 477 2HG GLU 67 1HG GLU 67 -8.574 -1.784 -7.043 478 H ALA 68 H ALA 68 -8.397 1.240 -4.233 479 HA ALA 68 HA ALA 68 -8.500 2.135 -6.976 480 1HB ALA 68 1HB ALA 68 -9.565 4.145 -6.009 481 2HB ALA 68 2HB ALA 68 -9.283 3.489 -4.393 482 3HB ALA 68 3HB ALA 68 -10.353 2.647 -5.515 483 H LEU 69 H LEU 69 -6.376 2.406 -4.297 484 HA LEU 69 HA LEU 69 -5.247 4.925 -4.740 485 1HB LEU 69 2HB LEU 69 -3.898 2.490 -3.581 486 2HB LEU 69 1HB LEU 69 -3.352 4.146 -3.409 487 HG LEU 69 HG LEU 69 -5.897 2.986 -2.276 488 1HD1 LEU 69 1HD1 LEU 69 -3.347 3.906 -0.957 489 2HD1 LEU 69 2HD1 LEU 69 -3.912 2.241 -1.101 490 3HD1 LEU 69 3HD1 LEU 69 -4.811 3.393 -0.118 491 1HD2 LEU 69 1HD2 LEU 69 -6.173 5.151 -1.181 492 2HD2 LEU 69 2HD2 LEU 69 -6.202 5.313 -2.936 493 3HD2 LEU 69 3HD2 LEU 69 -4.758 5.770 -2.034 494 HA PRO 70 HA PRO 70 -1.682 2.744 -7.240 495 1HB PRO 70 2HB PRO 70 -2.415 0.413 -8.507 496 2HB PRO 70 1HB PRO 70 -1.531 0.487 -6.978 497 1HG PRO 70 2HG PRO 70 -4.461 0.089 -7.453 498 2HG PRO 70 1HG PRO 70 -3.389 -0.739 -6.306 499 1HD PRO 70 2HD PRO 70 -5.030 1.203 -5.501 500 2HD PRO 70 1HD PRO 70 -3.397 1.043 -4.820 501 H GLY 71 H GLY 71 -5.046 2.633 -8.149 502 1HA GLY 71 2HA GLY 71 -4.606 2.854 -10.972 503 2HA GLY 71 1HA GLY 71 -6.132 3.091 -10.133 504 H LYS 72 H LYS 72 -5.787 5.172 -8.529 505 HA LYS 72 HA LYS 72 -5.752 7.339 -10.385 506 1HB LYS 72 2HB LYS 72 -6.364 7.012 -7.502 507 2HB LYS 72 1HB LYS 72 -5.921 8.625 -8.041 508 1HG LYS 72 2HG LYS 72 -8.298 8.433 -8.087 509 2HG LYS 72 1HG LYS 72 -7.719 8.485 -9.753 510 1HD LYS 72 2HD LYS 72 -9.251 6.761 -9.850 511 2HD LYS 72 1HD LYS 72 -7.750 5.880 -9.541 512 1HE LYS 72 2HE LYS 72 -9.294 4.949 -8.046 513 2HE LYS 72 1HE LYS 72 -8.350 6.077 -7.069 514 1HZ LYS 72 1HZ LYS 72 -10.112 7.652 -7.123 515 2HZ LYS 72 2HZ LYS 72 -10.809 6.161 -6.711 516 3HZ LYS 72 3HZ LYS 72 -10.971 6.762 -8.286 517 H CYS 73 H CYS 73 -3.369 5.936 -8.345 518 HA CYS 73 HA CYS 73 -1.694 8.320 -8.474 519 1HB CYS 73 2HB CYS 73 -1.252 5.675 -7.075 520 2HB CYS 73 1HB CYS 73 -0.188 7.084 -6.940 521 H GLY 74 H GLY 74 -2.418 6.023 -10.569 522 1HA GLY 74 2HA GLY 74 -1.494 5.482 -12.590 523 2HA GLY 74 1HA GLY 74 -0.378 6.807 -12.309 524 H VAL 75 H VAL 75 -0.609 3.876 -10.331 525 HA VAL 75 HA VAL 75 2.066 3.208 -11.346 526 HB VAL 75 HB VAL 75 2.431 2.035 -9.119 527 1HG1 VAL 75 1HG1 VAL 75 3.528 4.120 -9.779 528 2HG1 VAL 75 2HG1 VAL 75 3.184 4.082 -8.049 529 3HG1 VAL 75 3HG1 VAL 75 2.168 5.038 -9.131 530 1HG2 VAL 75 1HG2 VAL 75 0.120 2.042 -8.323 531 2HG2 VAL 75 2HG2 VAL 75 0.129 3.808 -8.298 532 3HG2 VAL 75 3HG2 VAL 75 1.181 2.904 -7.206 533 H ASN 76 H ASN 76 -0.912 1.784 -10.073 534 HA ASN 76 HA ASN 76 -1.879 -0.266 -10.303 535 1HB ASN 76 2HB ASN 76 -2.093 0.653 -12.611 536 2HB ASN 76 1HB ASN 76 -0.610 -0.193 -13.049 537 1HD2 ASN 76 1HD2 ASN 76 -3.979 -0.474 -12.357 538 2HD2 ASN 76 2HD2 ASN 76 -4.148 -2.137 -12.809 539 H ILE 77 H ILE 77 -0.901 -1.638 -8.875 540 HA ILE 77 HA ILE 77 1.596 -2.914 -9.740 541 HB ILE 77 HB ILE 77 1.994 -3.483 -7.414 542 1HG1 ILE 77 2HG1 ILE 77 -0.723 -2.240 -6.970 543 2HG1 ILE 77 1HG1 ILE 77 -0.154 -3.837 -6.475 544 1HG2 ILE 77 1HG2 ILE 77 2.819 -1.368 -8.231 545 2HG2 ILE 77 2HG2 ILE 77 2.331 -1.210 -6.545 546 3HG2 ILE 77 3HG2 ILE 77 1.293 -0.583 -7.826 547 1HD1 ILE 77 1HD1 ILE 77 1.301 -2.828 -4.822 548 2HD1 ILE 77 2HD1 ILE 77 -0.368 -2.309 -4.586 549 3HD1 ILE 77 3HD1 ILE 77 0.799 -1.216 -5.335 550 HA PRO 78 HA PRO 78 -0.389 -6.927 -9.877 551 1HB PRO 78 2HB PRO 78 2.116 -8.132 -8.977 552 2HB PRO 78 1HB PRO 78 1.328 -8.249 -10.554 553 1HG PRO 78 2HG PRO 78 3.641 -6.895 -10.179 554 2HG PRO 78 1HG PRO 78 2.439 -6.424 -11.396 555 1HD PRO 78 2HD PRO 78 2.940 -5.263 -8.676 556 2HD PRO 78 1HD PRO 78 2.595 -4.434 -10.213 557 H TYR 79 H TYR 79 0.333 -9.096 -8.306 558 HA TYR 79 HA TYR 79 -0.335 -10.106 -6.413 559 1HB TYR 79 2HB TYR 79 0.819 -9.415 -4.334 560 2HB TYR 79 1HB TYR 79 1.889 -9.600 -5.708 561 HD1 TYR 79 1HD TYR 79 -0.078 -6.811 -4.093 562 HD2 TYR 79 2HD TYR 79 3.588 -8.087 -5.852 563 HE1 TYR 79 1HE TYR 79 0.923 -4.625 -3.592 564 HE2 TYR 79 2HE TYR 79 4.582 -5.893 -5.377 565 HH TYR 79 HH TYR 79 3.910 -3.623 -4.925 566 H LYS 80 H LYS 80 -0.830 -9.177 -3.793 567 HA LYS 80 HA LYS 80 -3.198 -7.490 -4.154 568 1HB LYS 80 2HB LYS 80 -3.138 -10.153 -2.716 569 2HB LYS 80 1HB LYS 80 -4.491 -9.030 -2.695 570 1HG LYS 80 2HG LYS 80 -3.386 -10.390 -5.145 571 2HG LYS 80 1HG LYS 80 -4.841 -10.867 -4.269 572 1HD LYS 80 2HD LYS 80 -5.876 -8.730 -4.776 573 2HD LYS 80 1HD LYS 80 -4.401 -8.187 -5.582 574 1HE LYS 80 2HE LYS 80 -6.187 -8.961 -7.141 575 2HE LYS 80 1HE LYS 80 -4.662 -9.833 -7.304 576 1HZ LYS 80 1HZ LYS 80 -6.765 -11.210 -7.293 577 2HZ LYS 80 2HZ LYS 80 -6.886 -10.856 -5.634 578 3HZ LYS 80 3HZ LYS 80 -5.540 -11.699 -6.229 579 H ILE 81 H ILE 81 -4.069 -6.725 -2.066 580 HA ILE 81 HA ILE 81 -1.905 -6.077 -0.215 581 HB ILE 81 HB ILE 81 -3.510 -4.461 0.745 582 1HG1 ILE 81 2HG1 ILE 81 -5.348 -5.372 -1.484 583 2HG1 ILE 81 1HG1 ILE 81 -5.558 -5.780 0.216 584 1HG2 ILE 81 1HG2 ILE 81 -3.583 -2.936 -1.176 585 2HG2 ILE 81 2HG2 ILE 81 -3.207 -4.283 -2.251 586 3HG2 ILE 81 3HG2 ILE 81 -2.026 -3.757 -1.049 587 1HD1 ILE 81 1HD1 ILE 81 -5.854 -3.420 0.744 588 2HD1 ILE 81 2HD1 ILE 81 -7.028 -3.973 -0.453 589 3HD1 ILE 81 3HD1 ILE 81 -5.635 -3.013 -0.959 590 H SER 82 H SER 82 -4.163 -8.412 -0.552 591 HA SER 82 HA SER 82 -5.374 -8.585 1.985 592 1HB SER 82 2HB SER 82 -4.854 -10.850 0.049 593 2HB SER 82 1HB SER 82 -6.146 -10.732 1.247 594 HG SER 82 HG SER 82 -7.273 -9.583 -0.099 595 H THR 83 H THR 83 -5.043 -10.342 3.553 596 HA THR 83 HA THR 83 -2.297 -10.491 4.355 597 HB THR 83 HB THR 83 -3.205 -11.972 6.192 598 HG1 THR 83 1HG THR 83 -5.784 -11.193 5.336 599 1HG2 THR 83 1HG2 THR 83 -2.965 -9.552 6.484 600 2HG2 THR 83 2HG2 THR 83 -4.387 -10.160 7.332 601 3HG2 THR 83 3HG2 THR 83 -4.574 -9.310 5.797 602 H SER 84 H SER 84 -4.240 -12.358 2.314 603 HA SER 84 HA SER 84 -2.798 -14.843 2.753 604 1HB SER 84 2HB SER 84 -4.889 -14.222 0.660 605 2HB SER 84 1HB SER 84 -4.377 -15.815 1.228 606 HG SER 84 HG SER 84 -5.098 -14.678 3.396 607 H THR 85 H THR 85 -1.631 -12.280 1.570 608 HA THR 85 HA THR 85 -0.892 -13.097 -1.115 609 HB THR 85 HB THR 85 0.051 -10.710 0.493 610 HG1 THR 85 1HG THR 85 -1.880 -9.951 0.133 611 1HG2 THR 85 1HG2 THR 85 0.574 -9.734 -1.697 612 2HG2 THR 85 2HG2 THR 85 0.084 -11.238 -2.479 613 3HG2 THR 85 3HG2 THR 85 1.489 -11.216 -1.415 614 H ASN 86 H ASN 86 0.914 -14.129 -1.636 615 HA ASN 86 HA ASN 86 2.639 -15.053 0.464 616 1HB ASN 86 2HB ASN 86 3.773 -16.331 -1.363 617 2HB ASN 86 1HB ASN 86 2.043 -16.637 -1.226 618 1HD2 ASN 86 1HD2 ASN 86 0.685 -16.049 -2.863 619 2HD2 ASN 86 2HD2 ASN 86 1.261 -15.519 -4.418 620 H CYS 87 H CYS 87 3.295 -12.868 1.025 621 HA CYS 87 HA CYS 87 4.818 -11.223 -0.681 622 1HB CYS 87 2HB CYS 87 4.893 -11.316 2.341 623 2HB CYS 87 1HB CYS 87 5.356 -9.958 1.312 624 H ASN 88 H ASN 88 5.633 -14.079 1.012 625 HA ASN 88 HA ASN 88 8.406 -13.691 1.352 626 1HB ASN 88 2HB ASN 88 7.216 -15.529 2.440 627 2HB ASN 88 1HB ASN 88 6.852 -16.248 0.877 628 1HD2 ASN 88 1HD2 ASN 88 9.320 -15.640 3.256 629 2HD2 ASN 88 2HD2 ASN 88 10.483 -16.759 2.616 630 H SER 89 H SER 89 6.481 -14.367 -1.458 631 HA SER 89 HA SER 89 8.953 -14.772 -3.008 632 1HB SER 89 2HB SER 89 6.190 -15.824 -3.648 633 2HB SER 89 1HB SER 89 7.640 -16.077 -4.614 634 HG SER 89 HG SER 89 8.473 -16.966 -2.463 635 H ILE 90 H ILE 90 5.591 -13.952 -3.798 636 HA ILE 90 HA ILE 90 4.813 -12.675 -5.533 637 HB ILE 90 HB ILE 90 5.098 -10.215 -5.067 638 1HG1 ILE 90 2HG1 ILE 90 6.563 -11.195 -2.602 639 2HG1 ILE 90 1HG1 ILE 90 7.335 -10.382 -3.967 640 1HG2 ILE 90 1HG2 ILE 90 3.739 -10.297 -3.031 641 2HG2 ILE 90 2HG2 ILE 90 4.173 -11.994 -2.824 642 3HG2 ILE 90 3HG2 ILE 90 3.228 -11.488 -4.223 643 1HD1 ILE 90 1HD1 ILE 90 5.203 -9.198 -2.196 644 2HD1 ILE 90 2HD1 ILE 90 6.030 -8.384 -3.524 645 3HD1 ILE 90 3HD1 ILE 90 6.933 -8.873 -2.088 646 H ASN 91 H ASN 91 6.786 -10.038 -5.628 647 HA ASN 91 HA ASN 91 8.989 -10.865 -7.124 648 1HB ASN 91 2HB ASN 91 7.295 -11.400 -8.859 649 2HB ASN 91 1HB ASN 91 6.737 -9.727 -8.804 650 1HD2 ASN 91 1HD2 ASN 91 10.098 -10.659 -8.537 651 2HD2 ASN 91 2HD2 ASN 91 10.599 -9.997 -10.050 Start of MODEL 4 1 1H MET 1 1HT MET 1 13.706 -0.710 4.044 2 2H MET 1 2HT MET 1 13.784 -1.736 5.389 3 3H MET 1 3HT MET 1 13.769 -0.057 5.608 4 HA MET 1 HA MET 1 11.535 0.101 4.793 5 1HB MET 1 2HB MET 1 11.674 -1.722 3.150 6 2HB MET 1 1HB MET 1 11.769 -2.902 4.454 7 1HG MET 1 2HG MET 1 9.414 -1.061 4.184 8 2HG MET 1 1HG MET 1 9.524 -2.559 3.260 9 1HE MET 1 1HE MET 1 7.075 -3.086 4.519 10 2HE MET 1 2HE MET 1 7.265 -1.604 5.454 11 3HE MET 1 3HE MET 1 6.928 -3.126 6.278 12 H THR 2 H THR 2 10.213 0.445 6.305 13 HA THR 2 HA THR 2 9.952 -1.513 8.454 14 HB THR 2 HB THR 2 11.239 0.273 9.457 15 HG1 THR 2 1HG THR 2 9.953 0.125 11.125 16 1HG2 THR 2 1HG2 THR 2 10.489 2.604 9.448 17 2HG2 THR 2 2HG2 THR 2 9.130 2.170 8.414 18 3HG2 THR 2 3HG2 THR 2 10.778 2.026 7.806 19 H CYS 3 H CYS 3 7.796 -1.319 9.521 20 HA CYS 3 HA CYS 3 5.757 -1.028 7.554 21 1HB CYS 3 2HB CYS 3 5.843 -2.503 9.736 22 2HB CYS 3 1HB CYS 3 5.142 -1.073 10.486 23 H GLY 4 H GLY 4 7.578 1.206 8.945 24 1HA GLY 4 2HA GLY 4 5.469 3.223 9.316 25 2HA GLY 4 1HA GLY 4 7.175 3.421 9.711 26 H GLN 5 H GLN 5 7.804 2.046 7.112 27 HA GLN 5 HA GLN 5 7.969 4.313 5.402 28 1HB GLN 5 2HB GLN 5 9.588 2.417 5.356 29 2HB GLN 5 1HB GLN 5 8.317 1.384 4.717 30 1HG GLN 5 2HG GLN 5 8.142 3.027 2.802 31 2HG GLN 5 1HG GLN 5 9.646 3.725 3.400 32 1HE2 GLN 5 1HE2 GLN 5 9.067 2.374 0.872 33 2HE2 GLN 5 2HE2 GLN 5 10.176 1.045 0.787 34 H VAL 6 H VAL 6 6.062 1.326 5.427 35 HA VAL 6 HA VAL 6 4.366 2.048 3.246 36 HB VAL 6 HB VAL 6 3.881 0.125 5.541 37 1HG1 VAL 6 1HG1 VAL 6 1.765 0.831 4.517 38 2HG1 VAL 6 2HG1 VAL 6 2.133 -0.857 4.167 39 3HG1 VAL 6 3HG1 VAL 6 2.389 0.375 2.930 40 1HG2 VAL 6 1HG2 VAL 6 4.440 -1.575 3.865 41 2HG2 VAL 6 2HG2 VAL 6 5.780 -0.474 4.193 42 3HG2 VAL 6 3HG2 VAL 6 4.823 -0.285 2.721 43 H GLN 7 H GLN 7 4.346 2.729 6.679 44 HA GLN 7 HA GLN 7 1.704 3.779 6.725 45 1HB GLN 7 2HB GLN 7 3.201 3.046 8.718 46 2HB GLN 7 1HB GLN 7 3.856 4.680 8.611 47 1HG GLN 7 2HG GLN 7 1.680 5.631 8.992 48 2HG GLN 7 1HG GLN 7 0.937 4.033 8.951 49 1HE2 GLN 7 1HE2 GLN 7 1.193 2.653 10.693 50 2HE2 GLN 7 2HE2 GLN 7 1.749 3.207 12.233 51 H GLY 8 H GLY 8 4.630 4.878 5.399 52 1HA GLY 8 2HA GLY 8 3.974 7.671 5.329 53 2HA GLY 8 1HA GLY 8 5.132 6.846 4.290 54 H ASN 9 H ASN 9 3.492 4.907 3.200 55 HA ASN 9 HA ASN 9 1.919 6.117 1.206 56 1HB ASN 9 2HB ASN 9 2.775 3.833 0.956 57 2HB ASN 9 1HB ASN 9 1.902 3.317 2.388 58 1HD2 ASN 9 1HD2 ASN 9 1.852 2.224 -0.272 59 2HD2 ASN 9 2HD2 ASN 9 0.206 2.301 -0.810 60 H LEU 10 H LEU 10 0.973 4.326 4.100 61 HA LEU 10 HA LEU 10 -1.776 4.638 3.839 62 1HB LEU 10 2HB LEU 10 0.108 3.723 5.895 63 2HB LEU 10 1HB LEU 10 -1.437 4.280 6.518 64 HG LEU 10 HG LEU 10 -2.595 2.665 5.060 65 1HD1 LEU 10 1HD1 LEU 10 -1.342 0.960 3.869 66 2HD1 LEU 10 2HD1 LEU 10 0.177 1.718 4.344 67 3HD1 LEU 10 3HD1 LEU 10 -0.930 2.565 3.262 68 1HD2 LEU 10 1HD2 LEU 10 -2.029 2.034 7.336 69 2HD2 LEU 10 2HD2 LEU 10 -0.442 1.475 6.804 70 3HD2 LEU 10 3HD2 LEU 10 -1.899 0.644 6.258 71 H ALA 11 H ALA 11 0.502 6.621 5.750 72 HA ALA 11 HA ALA 11 -1.438 8.018 7.211 73 1HB ALA 11 1HB ALA 11 0.968 7.982 7.762 74 2HB ALA 11 2HB ALA 11 0.282 9.608 7.748 75 3HB ALA 11 3HB ALA 11 1.268 9.055 6.394 76 H GLN 12 H GLN 12 -0.303 8.489 3.958 77 HA GLN 12 HA GLN 12 -1.413 11.150 3.744 78 1HB GLN 12 2HB GLN 12 -0.336 9.281 1.629 79 2HB GLN 12 1HB GLN 12 -0.762 10.967 1.374 80 1HG GLN 12 2HG GLN 12 1.368 9.992 3.251 81 2HG GLN 12 1HG GLN 12 1.656 10.603 1.625 82 1HE2 GLN 12 1HE2 GLN 12 0.773 11.412 4.879 83 2HE2 GLN 12 2HE2 GLN 12 0.954 13.124 4.724 84 H CYS 13 H CYS 13 -2.250 7.882 2.842 85 HA CYS 13 HA CYS 13 -4.523 8.691 1.247 86 1HB CYS 13 2HB CYS 13 -3.561 5.948 2.071 87 2HB CYS 13 1HB CYS 13 -4.779 6.288 0.849 88 H ILE 14 H ILE 14 -3.926 7.750 4.497 89 HA ILE 14 HA ILE 14 -6.261 6.680 5.406 90 HB ILE 14 HB ILE 14 -4.244 8.505 6.580 91 1HG1 ILE 14 2HG1 ILE 14 -5.513 5.923 7.549 92 2HG1 ILE 14 1HG1 ILE 14 -4.029 6.044 6.598 93 1HG2 ILE 14 1HG2 ILE 14 -5.437 8.815 8.671 94 2HG2 ILE 14 2HG2 ILE 14 -6.863 8.031 7.992 95 3HG2 ILE 14 3HG2 ILE 14 -6.310 9.576 7.335 96 1HD1 ILE 14 1HD1 ILE 14 -4.441 7.140 9.372 97 2HD1 ILE 14 2HD1 ILE 14 -2.959 7.260 8.423 98 3HD1 ILE 14 3HD1 ILE 14 -3.547 5.682 8.948 99 H GLY 15 H GLY 15 -5.740 10.023 4.393 100 1HA GLY 15 2HA GLY 15 -8.258 10.937 5.411 101 2HA GLY 15 1HA GLY 15 -7.154 11.862 4.435 102 H PHE 16 H PHE 16 -8.127 8.789 3.410 103 HA PHE 16 HA PHE 16 -10.662 9.576 2.258 104 1HB PHE 16 2HB PHE 16 -9.507 10.189 0.366 105 2HB PHE 16 1HB PHE 16 -8.153 9.130 0.753 106 HD1 PHE 16 1HD PHE 16 -11.494 9.341 -0.771 107 HD2 PHE 16 2HD PHE 16 -8.113 6.845 -0.079 108 HE1 PHE 16 1HE PHE 16 -12.344 7.736 -2.425 109 HE2 PHE 16 2HE PHE 16 -8.959 5.238 -1.739 110 HZ PHE 16 HZ PHE 16 -11.078 5.682 -2.915 111 H LEU 17 H LEU 17 -8.066 7.286 2.457 112 HA LEU 17 HA LEU 17 -9.112 4.803 2.250 113 1HB LEU 17 2HB LEU 17 -6.780 5.603 2.795 114 2HB LEU 17 1HB LEU 17 -7.312 5.805 4.450 115 HG LEU 17 HG LEU 17 -7.759 3.367 4.533 116 1HD1 LEU 17 1HD1 LEU 17 -7.971 2.984 2.111 117 2HD1 LEU 17 2HD1 LEU 17 -6.720 1.960 2.817 118 3HD1 LEU 17 3HD1 LEU 17 -6.268 3.403 1.904 119 1HD2 LEU 17 1HD2 LEU 17 -4.952 4.249 3.896 120 2HD2 LEU 17 2HD2 LEU 17 -5.395 2.778 4.763 121 3HD2 LEU 17 3HD2 LEU 17 -5.746 4.356 5.466 122 H GLN 18 H GLN 18 -9.074 6.737 5.270 123 HA GLN 18 HA GLN 18 -10.618 4.716 6.615 124 1HB GLN 18 2HB GLN 18 -8.772 5.714 7.804 125 2HB GLN 18 1HB GLN 18 -9.415 7.330 7.531 126 1HG GLN 18 2HG GLN 18 -11.368 6.751 8.857 127 2HG GLN 18 1HG GLN 18 -10.666 5.169 9.192 128 1HE2 GLN 18 1HE2 GLN 18 -8.905 8.209 9.033 129 2HE2 GLN 18 2HE2 GLN 18 -8.464 8.245 10.704 130 H LYS 19 H LYS 19 -10.975 8.126 5.742 131 HA LYS 19 HA LYS 19 -13.652 8.229 6.822 132 1HB LYS 19 2HB LYS 19 -11.953 10.104 6.929 133 2HB LYS 19 1HB LYS 19 -12.261 10.356 5.218 134 1HG LYS 19 2HG LYS 19 -14.628 10.752 5.716 135 2HG LYS 19 1HG LYS 19 -14.283 10.547 7.435 136 1HD LYS 19 2HD LYS 19 -13.135 12.654 5.617 137 2HD LYS 19 1HD LYS 19 -14.361 12.900 6.859 138 1HE LYS 19 2HE LYS 19 -12.773 12.255 8.581 139 2HE LYS 19 1HE LYS 19 -11.549 11.936 7.355 140 1HZ LYS 19 1HZ LYS 19 -11.087 14.050 8.231 141 2HZ LYS 19 2HZ LYS 19 -12.702 14.552 8.132 142 3HZ LYS 19 3HZ LYS 19 -11.791 14.341 6.718 143 H GLY 20 H GLY 20 -12.583 9.503 3.683 144 1HA GLY 20 2HA GLY 20 -13.467 8.039 1.738 145 2HA GLY 20 1HA GLY 20 -15.023 8.357 2.503 146 H GLY 21 H GLY 21 -13.582 9.169 -0.123 147 1HA GLY 21 2HA GLY 21 -14.944 11.427 -0.746 148 2HA GLY 21 1HA GLY 21 -13.509 12.048 0.062 149 H VAL 22 H VAL 22 -11.710 12.297 -1.053 150 HA VAL 22 HA VAL 22 -11.598 11.120 -3.751 151 HB VAL 22 HB VAL 22 -10.602 13.189 -4.590 152 1HG1 VAL 22 1HG1 VAL 22 -13.253 13.610 -3.225 153 2HG1 VAL 22 2HG1 VAL 22 -12.997 12.890 -4.814 154 3HG1 VAL 22 3HG1 VAL 22 -12.616 14.592 -4.544 155 1HG2 VAL 22 1HG2 VAL 22 -9.589 14.019 -2.539 156 2HG2 VAL 22 2HG2 VAL 22 -11.187 14.308 -1.851 157 3HG2 VAL 22 3HG2 VAL 22 -10.644 15.242 -3.246 158 H VAL 23 H VAL 23 -9.425 10.945 -4.644 159 HA VAL 23 HA VAL 23 -7.529 10.282 -2.512 160 HB VAL 23 HB VAL 23 -7.405 9.543 -5.437 161 1HG1 VAL 23 1HG1 VAL 23 -5.698 7.926 -4.703 162 2HG1 VAL 23 2HG1 VAL 23 -5.794 8.578 -3.065 163 3HG1 VAL 23 3HG1 VAL 23 -5.204 9.589 -4.385 164 1HG2 VAL 23 1HG2 VAL 23 -8.297 7.973 -3.030 165 2HG2 VAL 23 2HG2 VAL 23 -8.057 7.299 -4.646 166 3HG2 VAL 23 3HG2 VAL 23 -9.308 8.513 -4.370 167 HA PRO 24 HA PRO 24 -5.248 13.905 -3.759 168 1HB PRO 24 2HB PRO 24 -3.504 13.457 -1.525 169 2HB PRO 24 1HB PRO 24 -4.808 14.637 -1.668 170 1HG PRO 24 2HG PRO 24 -4.845 12.489 0.059 171 2HG PRO 24 1HG PRO 24 -6.299 13.306 -0.558 172 1HD PRO 24 2HD PRO 24 -5.016 10.772 -1.496 173 2HD PRO 24 1HD PRO 24 -6.738 11.160 -1.275 174 HA PRO 25 HA PRO 25 -1.861 12.057 -6.036 175 1HB PRO 25 2HB PRO 25 -0.812 14.839 -5.915 176 2HB PRO 25 1HB PRO 25 -1.079 13.794 -7.320 177 1HG PRO 25 2HG PRO 25 -2.722 15.821 -6.810 178 2HG PRO 25 1HG PRO 25 -3.352 14.271 -7.402 179 1HD PRO 25 2HD PRO 25 -3.379 15.399 -4.630 180 2HD PRO 25 1HD PRO 25 -4.636 14.480 -5.486 181 H SER 26 H SER 26 -1.668 13.652 -3.049 182 HA SER 26 HA SER 26 1.150 13.413 -2.573 183 1HB SER 26 2HB SER 26 -1.010 13.612 -0.469 184 2HB SER 26 1HB SER 26 0.651 14.209 -0.386 185 HG SER 26 HG SER 26 -0.791 15.919 -0.755 186 H CYS 27 H CYS 27 -1.735 11.874 -1.258 187 HA CYS 27 HA CYS 27 -0.736 9.562 -0.166 188 1HB CYS 27 2HB CYS 27 -3.007 9.830 0.142 189 2HB CYS 27 1HB CYS 27 -3.270 10.379 -1.509 190 H CYS 28 H CYS 28 -1.735 10.111 -3.552 191 HA CYS 28 HA CYS 28 -1.111 7.606 -4.516 192 1HB CYS 28 2HB CYS 28 -1.287 10.278 -5.834 193 2HB CYS 28 1HB CYS 28 -0.751 8.874 -6.757 194 H THR 29 H THR 29 0.983 10.407 -4.166 195 HA THR 29 HA THR 29 3.240 9.324 -5.430 196 HB THR 29 HB THR 29 3.036 11.382 -3.223 197 HG1 THR 29 1HG THR 29 2.133 12.103 -5.144 198 1HG2 THR 29 1HG2 THR 29 5.264 10.412 -3.176 199 2HG2 THR 29 2HG2 THR 29 5.331 12.036 -3.862 200 3HG2 THR 29 3HG2 THR 29 5.420 10.627 -4.918 201 H GLY 30 H GLY 30 2.154 9.209 -2.050 202 1HA GLY 30 2HA GLY 30 4.451 7.895 -1.040 203 2HA GLY 30 1HA GLY 30 2.879 7.957 -0.267 204 H VAL 31 H VAL 31 1.331 6.643 -2.193 205 HA VAL 31 HA VAL 31 1.841 3.922 -1.690 206 HB VAL 31 HB VAL 31 0.329 4.970 -4.099 207 1HG1 VAL 31 1HG1 VAL 31 0.037 2.438 -2.487 208 2HG1 VAL 31 2HG1 VAL 31 0.690 2.572 -4.119 209 3HG1 VAL 31 3HG1 VAL 31 -1.014 2.922 -3.819 210 1HG2 VAL 31 1HG2 VAL 31 -1.688 4.942 -2.679 211 2HG2 VAL 31 2HG2 VAL 31 -0.510 6.155 -2.182 212 3HG2 VAL 31 3HG2 VAL 31 -0.665 4.651 -1.276 213 H LYS 32 H LYS 32 2.563 5.987 -4.456 214 HA LYS 32 HA LYS 32 3.812 3.992 -6.001 215 1HB LYS 32 2HB LYS 32 3.055 6.034 -7.035 216 2HB LYS 32 1HB LYS 32 4.123 6.996 -6.021 217 1HG LYS 32 2HG LYS 32 6.000 6.415 -7.208 218 2HG LYS 32 1HG LYS 32 5.292 4.908 -7.791 219 1HD LYS 32 2HD LYS 32 4.351 7.637 -8.651 220 2HD LYS 32 1HD LYS 32 5.561 6.697 -9.527 221 1HE LYS 32 2HE LYS 32 3.874 4.835 -9.652 222 2HE LYS 32 1HE LYS 32 2.684 5.966 -9.008 223 1HZ LYS 32 1HZ LYS 32 3.017 7.388 -10.916 224 2HZ LYS 32 2HZ LYS 32 2.622 5.825 -11.442 225 3HZ LYS 32 3HZ LYS 32 4.228 6.362 -11.515 226 H ASN 33 H ASN 33 4.977 6.077 -3.388 227 HA ASN 33 HA ASN 33 7.733 5.514 -3.749 228 1HB ASN 33 2HB ASN 33 6.118 6.379 -1.366 229 2HB ASN 33 1HB ASN 33 7.808 5.923 -1.173 230 1HD2 ASN 33 1HD2 ASN 33 9.385 7.098 -2.455 231 2HD2 ASN 33 2HD2 ASN 33 9.086 8.759 -2.840 232 H ILE 34 H ILE 34 5.177 3.863 -1.948 233 HA ILE 34 HA ILE 34 6.868 1.858 -0.911 234 HB ILE 34 HB ILE 34 4.215 2.646 -0.590 235 1HG1 ILE 34 2HG1 ILE 34 4.300 1.325 1.365 236 2HG1 ILE 34 1HG1 ILE 34 5.442 0.196 0.642 237 1HG2 ILE 34 1HG2 ILE 34 3.493 1.067 -2.311 238 2HG2 ILE 34 2HG2 ILE 34 2.908 0.596 -0.716 239 3HG2 ILE 34 3HG2 ILE 34 4.280 -0.247 -1.436 240 1HD1 ILE 34 1HD1 ILE 34 6.047 3.066 1.298 241 2HD1 ILE 34 2HD1 ILE 34 7.184 1.850 0.699 242 3HD1 ILE 34 3HD1 ILE 34 6.470 1.681 2.305 243 H LEU 35 H LEU 35 5.930 2.412 -4.036 244 HA LEU 35 HA LEU 35 6.161 -0.431 -4.779 245 1HB LEU 35 2HB LEU 35 4.697 1.806 -6.178 246 2HB LEU 35 1HB LEU 35 4.784 0.142 -6.734 247 HG LEU 35 HG LEU 35 3.605 0.934 -4.080 248 1HD1 LEU 35 1HD1 LEU 35 2.341 1.942 -5.912 249 2HD1 LEU 35 2HD1 LEU 35 1.430 0.679 -5.085 250 3HD1 LEU 35 3HD1 LEU 35 2.166 0.353 -6.657 251 1HD2 LEU 35 1HD2 LEU 35 4.418 -1.348 -4.260 252 2HD2 LEU 35 2HD2 LEU 35 3.438 -1.588 -5.708 253 3HD2 LEU 35 3HD2 LEU 35 2.658 -1.300 -4.152 254 H ASN 36 H ASN 36 7.885 2.260 -4.675 255 HA ASN 36 HA ASN 36 9.509 1.498 -7.000 256 1HB ASN 36 2HB ASN 36 8.036 3.461 -7.592 257 2HB ASN 36 1HB ASN 36 8.860 4.384 -6.342 258 1HD2 ASN 36 1HD2 ASN 36 8.683 4.772 -9.262 259 2HD2 ASN 36 2HD2 ASN 36 10.321 4.831 -9.819 260 H SER 37 H SER 37 9.318 3.498 -4.074 261 HA SER 37 HA SER 37 12.170 3.718 -3.851 262 1HB SER 37 2HB SER 37 10.072 4.409 -1.787 263 2HB SER 37 1HB SER 37 11.731 5.011 -1.864 264 HG SER 37 HG SER 37 11.203 6.332 -3.477 265 H SER 38 H SER 38 10.057 1.227 -3.188 266 HA SER 38 HA SER 38 11.189 0.060 -0.882 267 1HB SER 38 2HB SER 38 10.541 -1.947 -2.817 268 2HB SER 38 1HB SER 38 9.630 -1.461 -1.382 269 HG SER 38 HG SER 38 8.209 -0.759 -2.778 270 H ARG 39 H ARG 39 13.322 0.088 -0.724 271 HA ARG 39 HA ARG 39 15.112 0.397 -2.795 272 1HB ARG 39 2HB ARG 39 15.599 1.115 -0.570 273 2HB ARG 39 1HB ARG 39 15.503 -0.531 0.042 274 1HG ARG 39 2HG ARG 39 17.505 -1.079 -1.340 275 2HG ARG 39 1HG ARG 39 17.633 0.641 -1.729 276 1HD ARG 39 2HD ARG 39 19.046 -0.164 0.209 277 2HD ARG 39 1HD ARG 39 18.004 1.223 0.536 278 HE ARG 39 HE ARG 39 16.707 -1.239 1.170 279 1HH1 ARG 39 1HH1 ARG 39 19.113 1.011 2.388 280 2HH1 ARG 39 2HH1 ARG 39 18.762 0.661 4.053 281 1HH2 ARG 39 1HH2 ARG 39 16.249 -1.686 3.331 282 2HH2 ARG 39 2HH2 ARG 39 17.155 -0.905 4.594 283 H THR 40 H THR 40 15.084 -2.540 -0.723 284 HA THR 40 HA THR 40 16.270 -3.913 -3.035 285 HB THR 40 HB THR 40 17.521 -5.337 -1.477 286 HG1 THR 40 1HG THR 40 16.410 -3.626 0.536 287 1HG2 THR 40 1HG2 THR 40 18.601 -3.313 -2.309 288 2HG2 THR 40 2HG2 THR 40 19.106 -3.646 -0.650 289 3HG2 THR 40 3HG2 THR 40 17.916 -2.383 -0.973 290 H THR 41 H THR 41 16.295 -6.433 -2.453 291 HA THR 41 HA THR 41 13.691 -7.439 -2.693 292 HB THR 41 HB THR 41 16.069 -8.928 -1.583 293 HG1 THR 41 1HG THR 41 16.848 -8.052 -3.442 294 1HG2 THR 41 1HG2 THR 41 13.985 -10.183 -1.523 295 2HG2 THR 41 2HG2 THR 41 15.058 -10.852 -2.753 296 3HG2 THR 41 3HG2 THR 41 13.699 -9.831 -3.228 297 H ALA 42 H ALA 42 15.820 -7.043 0.093 298 HA ALA 42 HA ALA 42 14.121 -8.323 1.979 299 1HB ALA 42 1HB ALA 42 16.330 -6.313 2.423 300 2HB ALA 42 2HB ALA 42 16.516 -8.067 2.365 301 3HB ALA 42 3HB ALA 42 15.587 -7.323 3.666 302 H ASP 43 H ASP 43 14.139 -5.254 0.469 303 HA ASP 43 HA ASP 43 12.441 -4.010 2.468 304 1HB ASP 43 2HB ASP 43 13.492 -3.112 -0.218 305 2HB ASP 43 1HB ASP 43 12.382 -2.142 0.727 306 H ARG 44 H ARG 44 12.271 -5.442 -0.721 307 HA ARG 44 HA ARG 44 9.576 -4.852 -1.296 308 1HB ARG 44 2HB ARG 44 11.471 -6.964 -2.295 309 2HB ARG 44 1HB ARG 44 9.802 -6.872 -2.854 310 1HG ARG 44 2HG ARG 44 10.205 -4.602 -3.665 311 2HG ARG 44 1HG ARG 44 11.878 -4.708 -3.114 312 1HD ARG 44 2HD ARG 44 12.383 -6.410 -4.674 313 2HD ARG 44 1HD ARG 44 10.680 -6.674 -5.044 314 HE ARG 44 HE ARG 44 11.632 -4.019 -5.660 315 1HH1 ARG 44 1HH1 ARG 44 11.300 -7.305 -6.825 316 2HH1 ARG 44 2HH1 ARG 44 11.225 -6.841 -8.501 317 1HH2 ARG 44 1HH2 ARG 44 11.527 -3.404 -7.856 318 2HH2 ARG 44 2HH2 ARG 44 11.351 -4.611 -9.087 319 H ARG 45 H ARG 45 11.056 -7.853 -0.093 320 HA ARG 45 HA ARG 45 8.467 -9.053 0.366 321 1HB ARG 45 2HB ARG 45 11.272 -9.995 0.978 322 2HB ARG 45 1HB ARG 45 9.820 -10.961 1.241 323 1HG ARG 45 2HG ARG 45 9.337 -11.076 -1.028 324 2HG ARG 45 1HG ARG 45 10.416 -9.735 -1.408 325 1HD ARG 45 2HD ARG 45 11.424 -11.768 -2.150 326 2HD ARG 45 1HD ARG 45 12.335 -11.167 -0.771 327 HE ARG 45 HE ARG 45 10.311 -13.180 -0.229 328 1HH1 ARG 45 1HH1 ARG 45 13.695 -12.414 -0.657 329 2HH1 ARG 45 2HH1 ARG 45 14.253 -13.968 -0.119 330 1HH2 ARG 45 1HH2 ARG 45 11.034 -15.241 0.468 331 2HH2 ARG 45 2HH2 ARG 45 12.742 -15.577 0.510 332 H ALA 46 H ALA 46 9.087 -6.672 1.709 333 HA ALA 46 HA ALA 46 8.401 -7.524 4.427 334 1HB ALA 46 1HB ALA 46 10.300 -5.263 3.797 335 2HB ALA 46 2HB ALA 46 10.760 -6.828 4.467 336 3HB ALA 46 3HB ALA 46 9.737 -5.733 5.400 337 H VAL 47 H VAL 47 8.529 -4.902 2.046 338 HA VAL 47 HA VAL 47 6.625 -3.226 3.245 339 HB VAL 47 HB VAL 47 8.045 -2.345 1.502 340 1HG1 VAL 47 1HG1 VAL 47 8.274 -4.369 0.137 341 2HG1 VAL 47 2HG1 VAL 47 7.844 -2.959 -0.832 342 3HG1 VAL 47 3HG1 VAL 47 6.616 -4.162 -0.430 343 1HG2 VAL 47 1HG2 VAL 47 5.194 -2.377 0.542 344 2HG2 VAL 47 2HG2 VAL 47 6.424 -1.180 0.135 345 3HG2 VAL 47 3HG2 VAL 47 5.842 -1.319 1.793 346 H CYS 48 H CYS 48 6.269 -5.901 0.978 347 HA CYS 48 HA CYS 48 3.546 -5.559 0.411 348 1HB CYS 48 2HB CYS 48 3.690 -8.113 -0.032 349 2HB CYS 48 1HB CYS 48 4.662 -7.020 -1.014 350 H SER 49 H SER 49 5.156 -7.434 2.962 351 HA SER 49 HA SER 49 2.886 -8.552 4.132 352 1HB SER 49 2HB SER 49 5.399 -7.649 5.561 353 2HB SER 49 1HB SER 49 4.248 -8.858 6.126 354 HG SER 49 HG SER 49 5.045 -10.285 4.769 355 H CYS 50 H CYS 50 4.534 -5.498 4.969 356 HA CYS 50 HA CYS 50 2.775 -4.777 7.049 357 1HB CYS 50 2HB CYS 50 4.938 -3.721 6.867 358 2HB CYS 50 1HB CYS 50 4.542 -3.082 5.275 359 H LEU 51 H LEU 51 2.792 -3.990 3.596 360 HA LEU 51 HA LEU 51 0.615 -2.226 3.606 361 1HB LEU 51 2HB LEU 51 2.218 -2.446 1.758 362 2HB LEU 51 1HB LEU 51 1.597 -4.045 1.400 363 HG LEU 51 HG LEU 51 -0.355 -1.806 1.343 364 1HD1 LEU 51 1HD1 LEU 51 0.311 -1.180 -0.922 365 2HD1 LEU 51 2HD1 LEU 51 1.713 -2.245 -0.811 366 3HD1 LEU 51 3HD1 LEU 51 1.592 -0.831 0.238 367 1HD2 LEU 51 1HD2 LEU 51 -1.250 -3.082 -0.515 368 2HD2 LEU 51 2HD2 LEU 51 -0.995 -4.140 0.869 369 3HD2 LEU 51 3HD2 LEU 51 0.144 -4.161 -0.478 370 H LYS 52 H LYS 52 0.717 -5.749 3.029 371 HA LYS 52 HA LYS 52 -2.094 -5.875 2.539 372 1HB LYS 52 2HB LYS 52 -1.814 -8.216 2.279 373 2HB LYS 52 1HB LYS 52 -0.382 -7.463 1.596 374 1HG LYS 52 2HG LYS 52 0.804 -7.963 3.736 375 2HG LYS 52 1HG LYS 52 -0.617 -8.889 4.230 376 1HD LYS 52 2HD LYS 52 -0.361 -10.245 2.151 377 2HD LYS 52 1HD LYS 52 1.158 -9.397 1.847 378 1HE LYS 52 2HE LYS 52 1.679 -11.471 2.904 379 2HE LYS 52 1HE LYS 52 1.950 -10.182 4.077 380 1HZ LYS 52 1HZ LYS 52 -0.470 -11.902 3.946 381 2HZ LYS 52 2HZ LYS 52 -0.178 -10.687 5.092 382 3HZ LYS 52 3HZ LYS 52 0.797 -12.073 5.058 383 H ALA 53 H ALA 53 -0.084 -6.162 5.392 384 HA ALA 53 HA ALA 53 -2.021 -7.425 7.043 385 1HB ALA 53 1HB ALA 53 0.299 -7.360 7.740 386 2HB ALA 53 2HB ALA 53 -0.721 -6.560 8.943 387 3HB ALA 53 3HB ALA 53 0.251 -5.598 7.823 388 H ALA 54 H ALA 54 -1.375 -4.093 6.164 389 HA ALA 54 HA ALA 54 -2.938 -2.784 8.057 390 1HB ALA 54 1HB ALA 54 -2.417 -2.010 5.191 391 2HB ALA 54 2HB ALA 54 -1.414 -1.604 6.584 392 3HB ALA 54 3HB ALA 54 -3.040 -0.937 6.444 393 H ALA 55 H ALA 55 -3.857 -4.471 5.129 394 HA ALA 55 HA ALA 55 -6.491 -3.495 4.903 395 1HB ALA 55 1HB ALA 55 -5.306 -4.697 3.105 396 2HB ALA 55 2HB ALA 55 -6.896 -5.376 3.446 397 3HB ALA 55 3HB ALA 55 -5.446 -6.186 4.039 398 H GLY 56 H GLY 56 -5.064 -5.965 6.911 399 1HA GLY 56 2HA GLY 56 -7.745 -6.791 7.815 400 2HA GLY 56 1HA GLY 56 -6.262 -7.713 8.055 401 H ALA 57 H ALA 57 -4.917 -5.089 8.792 402 HA ALA 57 HA ALA 57 -5.418 -5.295 11.616 403 1HB ALA 57 1HB ALA 57 -3.140 -5.067 10.749 404 2HB ALA 57 2HB ALA 57 -3.550 -3.759 11.859 405 3HB ALA 57 3HB ALA 57 -3.544 -3.471 10.119 406 H VAL 58 H VAL 58 -5.908 -2.924 9.060 407 HA VAL 58 HA VAL 58 -7.241 -1.104 10.948 408 HB VAL 58 HB VAL 58 -6.368 -0.426 8.143 409 1HG1 VAL 58 1HG1 VAL 58 -8.011 1.070 9.173 410 2HG1 VAL 58 2HG1 VAL 58 -6.459 1.882 8.941 411 3HG1 VAL 58 3HG1 VAL 58 -6.931 1.314 10.546 412 1HG2 VAL 58 1HG2 VAL 58 -4.788 -0.061 10.689 413 2HG2 VAL 58 2HG2 VAL 58 -4.353 0.593 9.110 414 3HG2 VAL 58 3HG2 VAL 58 -4.391 -1.153 9.360 415 H ARG 59 H ARG 59 -9.369 -1.367 11.018 416 HA ARG 59 HA ARG 59 -10.827 -2.356 8.749 417 1HB ARG 59 2HB ARG 59 -12.847 -1.921 10.130 418 2HB ARG 59 1HB ARG 59 -11.658 -2.926 10.944 419 1HG ARG 59 2HG ARG 59 -10.863 -0.918 12.162 420 2HG ARG 59 1HG ARG 59 -12.170 0.003 11.414 421 1HD ARG 59 2HD ARG 59 -12.714 -0.792 13.696 422 2HD ARG 59 1HD ARG 59 -13.824 -1.391 12.464 423 HE ARG 59 HE ARG 59 -12.179 -3.430 12.560 424 1HH1 ARG 59 1HH1 ARG 59 -13.407 -1.544 15.248 425 2HH1 ARG 59 2HH1 ARG 59 -13.323 -2.873 16.372 426 1HH2 ARG 59 1HH2 ARG 59 -12.085 -5.151 13.999 427 2HH2 ARG 59 2HH2 ARG 59 -12.573 -4.935 15.653 428 H GLY 60 H GLY 60 -9.661 0.512 9.822 429 1HA GLY 60 2HA GLY 60 -11.426 2.203 8.254 430 2HA GLY 60 1HA GLY 60 -10.014 2.730 9.173 431 H ILE 61 H ILE 61 -9.191 0.020 7.433 432 HA ILE 61 HA ILE 61 -7.730 1.468 5.458 433 HB ILE 61 HB ILE 61 -7.223 -0.916 6.479 434 1HG1 ILE 61 2HG1 ILE 61 -5.930 -1.493 4.425 435 2HG1 ILE 61 1HG1 ILE 61 -6.783 -0.208 3.575 436 1HG2 ILE 61 1HG2 ILE 61 -9.309 -1.961 5.739 437 2HG2 ILE 61 2HG2 ILE 61 -7.907 -2.758 5.026 438 3HG2 ILE 61 3HG2 ILE 61 -8.875 -1.647 4.057 439 1HD1 ILE 61 1HD1 ILE 61 -4.642 0.600 4.262 440 2HD1 ILE 61 2HD1 ILE 61 -4.938 0.094 5.926 441 3HD1 ILE 61 3HD1 ILE 61 -5.888 1.402 5.222 442 H ASN 62 H ASN 62 -10.725 0.180 5.869 443 HA ASN 62 HA ASN 62 -12.560 -0.316 4.555 444 1HB ASN 62 2HB ASN 62 -11.652 2.415 3.721 445 2HB ASN 62 1HB ASN 62 -13.087 1.688 2.997 446 1HD2 ASN 62 1HD2 ASN 62 -12.705 4.014 4.799 447 2HD2 ASN 62 2HD2 ASN 62 -13.781 3.722 6.130 448 HA PRO 63 HA PRO 63 -10.522 -2.656 1.274 449 1HB PRO 63 2HB PRO 63 -13.304 -3.477 0.771 450 2HB PRO 63 1HB PRO 63 -11.870 -4.458 1.093 451 1HG PRO 63 2HG PRO 63 -13.907 -3.895 2.902 452 2HG PRO 63 1HG PRO 63 -12.314 -4.549 3.297 453 1HD PRO 63 2HD PRO 63 -13.395 -1.966 3.919 454 2HD PRO 63 1HD PRO 63 -11.821 -2.638 4.374 455 H ASN 64 H ASN 64 -13.584 -0.896 0.854 456 HA ASN 64 HA ASN 64 -13.636 -0.705 -1.921 457 1HB ASN 64 2HB ASN 64 -14.552 1.365 0.095 458 2HB ASN 64 1HB ASN 64 -15.047 1.293 -1.593 459 1HD2 ASN 64 1HD2 ASN 64 -16.575 -0.182 -2.228 460 2HD2 ASN 64 2HD2 ASN 64 -17.466 -1.157 -1.098 461 H ASN 65 H ASN 65 -11.957 1.293 0.451 462 HA ASN 65 HA ASN 65 -11.029 3.128 -1.599 463 1HB ASN 65 2HB ASN 65 -10.493 3.109 1.369 464 2HB ASN 65 1HB ASN 65 -10.100 4.401 0.248 465 1HD2 ASN 65 1HD2 ASN 65 -11.824 4.383 2.627 466 2HD2 ASN 65 2HD2 ASN 65 -13.366 4.945 2.076 467 H ALA 66 H ALA 66 -9.844 0.550 0.447 468 HA ALA 66 HA ALA 66 -7.085 0.894 -0.037 469 1HB ALA 66 1HB ALA 66 -6.848 -1.410 0.736 470 2HB ALA 66 2HB ALA 66 -8.592 -1.644 0.593 471 3HB ALA 66 3HB ALA 66 -7.948 -0.502 1.775 472 H GLU 67 H GLU 67 -9.617 -0.811 -1.792 473 HA GLU 67 HA GLU 67 -7.798 -1.917 -3.742 474 1HB GLU 67 2HB GLU 67 -9.948 -3.011 -3.096 475 2HB GLU 67 1HB GLU 67 -10.820 -1.668 -3.819 476 1HG GLU 67 2HG GLU 67 -9.832 -2.235 -5.999 477 2HG GLU 67 1HG GLU 67 -9.035 -3.621 -5.250 478 H ALA 68 H ALA 68 -9.789 0.906 -3.364 479 HA ALA 68 HA ALA 68 -9.731 1.793 -6.069 480 1HB ALA 68 1HB ALA 68 -10.248 3.318 -3.518 481 2HB ALA 68 2HB ALA 68 -11.459 2.535 -4.535 482 3HB ALA 68 3HB ALA 68 -10.553 3.919 -5.150 483 H LEU 69 H LEU 69 -7.551 1.977 -3.429 484 HA LEU 69 HA LEU 69 -6.228 4.365 -3.943 485 1HB LEU 69 2HB LEU 69 -6.046 3.065 -1.866 486 2HB LEU 69 1HB LEU 69 -5.119 1.845 -2.718 487 HG LEU 69 HG LEU 69 -3.319 3.433 -3.094 488 1HD1 LEU 69 1HD1 LEU 69 -5.093 5.363 -1.614 489 2HD1 LEU 69 2HD1 LEU 69 -4.649 5.444 -3.318 490 3HD1 LEU 69 3HD1 LEU 69 -3.417 5.661 -2.074 491 1HD2 LEU 69 1HD2 LEU 69 -3.330 2.125 -1.020 492 2HD2 LEU 69 2HD2 LEU 69 -4.236 3.409 -0.217 493 3HD2 LEU 69 3HD2 LEU 69 -2.592 3.709 -0.782 494 HA PRO 70 HA PRO 70 -2.896 2.068 -6.556 495 1HB PRO 70 2HB PRO 70 -3.525 -0.467 -7.426 496 2HB PRO 70 1HB PRO 70 -2.500 -0.106 -6.033 497 1HG PRO 70 2HG PRO 70 -5.358 -0.915 -6.121 498 2HG PRO 70 1HG PRO 70 -4.107 -1.333 -4.943 499 1HD PRO 70 2HD PRO 70 -6.039 0.518 -4.475 500 2HD PRO 70 1HD PRO 70 -4.425 0.591 -3.745 501 H GLY 71 H GLY 71 -6.261 1.978 -7.019 502 1HA GLY 71 2HA GLY 71 -6.256 1.678 -9.874 503 2HA GLY 71 1HA GLY 71 -7.604 2.217 -8.880 504 H LYS 72 H LYS 72 -7.134 4.463 -7.833 505 HA LYS 72 HA LYS 72 -7.060 6.331 -9.920 506 1HB LYS 72 2HB LYS 72 -7.288 6.416 -6.990 507 2HB LYS 72 1HB LYS 72 -6.617 7.872 -7.718 508 1HG LYS 72 2HG LYS 72 -9.018 8.058 -7.471 509 2HG LYS 72 1HG LYS 72 -8.566 8.050 -9.173 510 1HD LYS 72 2HD LYS 72 -10.381 6.615 -9.130 511 2HD LYS 72 1HD LYS 72 -9.011 5.504 -9.029 512 1HE LYS 72 2HE LYS 72 -9.299 5.296 -6.649 513 2HE LYS 72 1HE LYS 72 -10.571 6.523 -6.657 514 1HZ LYS 72 1HZ LYS 72 -10.669 3.804 -7.846 515 2HZ LYS 72 2HZ LYS 72 -11.823 5.006 -8.182 516 3HZ LYS 72 3HZ LYS 72 -11.638 4.435 -6.596 517 H CYS 73 H CYS 73 -4.512 5.185 -7.800 518 HA CYS 73 HA CYS 73 -2.745 7.340 -8.585 519 1HB CYS 73 2HB CYS 73 -2.176 4.896 -6.899 520 2HB CYS 73 1HB CYS 73 -1.139 6.317 -7.053 521 H GLY 74 H GLY 74 -3.702 4.538 -10.047 522 1HA GLY 74 2HA GLY 74 -3.006 3.568 -12.000 523 2HA GLY 74 1HA GLY 74 -1.874 4.908 -12.163 524 H VAL 75 H VAL 75 -1.923 2.669 -9.469 525 HA VAL 75 HA VAL 75 0.735 1.766 -10.332 526 HB VAL 75 HB VAL 75 1.097 1.299 -7.838 527 1HG1 VAL 75 1HG1 VAL 75 0.842 4.129 -8.853 528 2HG1 VAL 75 2HG1 VAL 75 2.250 3.075 -9.005 529 3HG1 VAL 75 3HG1 VAL 75 1.742 3.648 -7.415 530 1HG2 VAL 75 1HG2 VAL 75 -1.235 3.205 -7.642 531 2HG2 VAL 75 2HG2 VAL 75 -0.190 2.722 -6.307 532 3HG2 VAL 75 3HG2 VAL 75 -1.214 1.526 -7.103 533 H ASN 76 H ASN 76 -0.566 0.186 -11.559 534 HA ASN 76 HA ASN 76 -1.661 -1.991 -9.981 535 1HB ASN 76 2HB ASN 76 -2.801 -1.319 -12.071 536 2HB ASN 76 1HB ASN 76 -1.360 -1.760 -12.986 537 1HD2 ASN 76 1HD2 ASN 76 -2.439 -3.323 -14.178 538 2HD2 ASN 76 2HD2 ASN 76 -2.948 -4.825 -13.479 539 H ILE 77 H ILE 77 0.055 -2.862 -8.941 540 HA ILE 77 HA ILE 77 2.211 -4.009 -10.563 541 HB ILE 77 HB ILE 77 3.513 -4.259 -8.571 542 1HG1 ILE 77 2HG1 ILE 77 1.603 -4.855 -7.043 543 2HG1 ILE 77 1HG1 ILE 77 2.797 -3.772 -6.347 544 1HG2 ILE 77 1HG2 ILE 77 2.210 -1.550 -8.634 545 2HG2 ILE 77 2HG2 ILE 77 3.591 -2.081 -9.590 546 3HG2 ILE 77 3HG2 ILE 77 3.736 -1.926 -7.839 547 1HD1 ILE 77 1HD1 ILE 77 1.197 -1.887 -6.966 548 2HD1 ILE 77 2HD1 ILE 77 0.741 -2.948 -5.637 549 3HD1 ILE 77 3HD1 ILE 77 -0.003 -3.155 -7.220 550 HA PRO 78 HA PRO 78 1.005 -8.215 -10.317 551 1HB PRO 78 2HB PRO 78 3.356 -8.824 -8.587 552 2HB PRO 78 1HB PRO 78 2.833 -9.591 -10.095 553 1HG PRO 78 2HG PRO 78 4.892 -7.904 -10.070 554 2HG PRO 78 1HG PRO 78 3.732 -7.910 -11.414 555 1HD PRO 78 2HD PRO 78 4.024 -5.970 -9.166 556 2HD PRO 78 1HD PRO 78 3.544 -5.688 -10.853 557 H TYR 79 H TYR 79 2.528 -7.593 -7.138 558 HA TYR 79 HA TYR 79 0.589 -9.191 -5.770 559 1HB TYR 79 2HB TYR 79 1.695 -8.308 -3.697 560 2HB TYR 79 1HB TYR 79 2.790 -9.097 -4.822 561 HD1 TYR 79 1HD TYR 79 1.726 -5.839 -3.447 562 HD2 TYR 79 2HD TYR 79 4.564 -7.890 -5.866 563 HE1 TYR 79 1HE TYR 79 3.187 -3.858 -3.411 564 HE2 TYR 79 2HE TYR 79 6.025 -5.917 -5.842 565 HH TYR 79 HH TYR 79 5.493 -3.261 -3.740 566 H LYS 80 H LYS 80 -0.823 -8.353 -4.036 567 HA LYS 80 HA LYS 80 -1.753 -5.635 -4.633 568 1HB LYS 80 2HB LYS 80 -3.363 -8.165 -4.745 569 2HB LYS 80 1HB LYS 80 -4.136 -6.625 -4.397 570 1HG LYS 80 2HG LYS 80 -2.645 -7.409 -6.887 571 2HG LYS 80 1HG LYS 80 -4.360 -7.015 -6.721 572 1HD LYS 80 2HD LYS 80 -3.652 -4.724 -5.969 573 2HD LYS 80 1HD LYS 80 -2.008 -5.158 -6.438 574 1HE LYS 80 2HE LYS 80 -4.427 -5.018 -8.233 575 2HE LYS 80 1HE LYS 80 -3.055 -3.912 -8.220 576 1HZ LYS 80 1HZ LYS 80 -1.652 -5.889 -8.815 577 2HZ LYS 80 2HZ LYS 80 -2.736 -5.382 -10.014 578 3HZ LYS 80 3HZ LYS 80 -3.092 -6.750 -9.080 579 H ILE 81 H ILE 81 -3.886 -5.413 -3.102 580 HA ILE 81 HA ILE 81 -2.831 -5.102 -0.486 581 HB ILE 81 HB ILE 81 -4.476 -3.554 -1.497 582 1HG1 ILE 81 2HG1 ILE 81 -5.931 -3.280 0.478 583 2HG1 ILE 81 1HG1 ILE 81 -5.455 -4.879 1.042 584 1HG2 ILE 81 1HG2 ILE 81 -5.853 -5.166 -2.679 585 2HG2 ILE 81 2HG2 ILE 81 -6.844 -4.168 -1.614 586 3HG2 ILE 81 3HG2 ILE 81 -6.434 -5.820 -1.147 587 1HD1 ILE 81 1HD1 ILE 81 -3.652 -2.499 0.698 588 2HD1 ILE 81 2HD1 ILE 81 -3.138 -4.107 1.209 589 3HD1 ILE 81 3HD1 ILE 81 -4.236 -3.166 2.224 590 H SER 82 H SER 82 -4.324 -7.643 -2.102 591 HA SER 82 HA SER 82 -5.815 -8.942 -0.141 592 1HB SER 82 2HB SER 82 -4.157 -10.295 -2.282 593 2HB SER 82 1HB SER 82 -5.654 -10.880 -1.544 594 HG SER 82 HG SER 82 -6.816 -9.489 -2.715 595 H THR 83 H THR 83 -5.298 -10.165 1.588 596 HA THR 83 HA THR 83 -2.691 -9.878 2.669 597 HB THR 83 HB THR 83 -3.567 -11.356 4.513 598 HG1 THR 83 1HG THR 83 -5.780 -11.882 4.439 599 1HG2 THR 83 1HG2 THR 83 -3.759 -8.923 4.619 600 2HG2 THR 83 2HG2 THR 83 -5.174 -9.697 5.336 601 3HG2 THR 83 3HG2 THR 83 -5.276 -8.995 3.722 602 H SER 84 H SER 84 -4.138 -12.332 0.740 603 HA SER 84 HA SER 84 -2.139 -14.327 1.470 604 1HB SER 84 2HB SER 84 -4.408 -14.524 -0.529 605 2HB SER 84 1HB SER 84 -3.428 -15.859 0.087 606 HG SER 84 HG SER 84 -5.650 -15.160 1.071 607 H THR 85 H THR 85 -1.809 -11.718 -0.217 608 HA THR 85 HA THR 85 -1.137 -12.509 -2.842 609 HB THR 85 HB THR 85 -1.549 -10.130 -1.984 610 HG1 THR 85 1HG THR 85 -0.739 -10.672 -4.108 611 1HG2 THR 85 1HG2 THR 85 0.452 -8.868 -1.311 612 2HG2 THR 85 2HG2 THR 85 1.376 -10.370 -1.265 613 3HG2 THR 85 3HG2 THR 85 0.044 -10.120 -0.139 614 H ASN 86 H ASN 86 0.998 -12.627 -3.790 615 HA ASN 86 HA ASN 86 2.636 -14.436 -2.282 616 1HB ASN 86 2HB ASN 86 3.977 -14.550 -4.409 617 2HB ASN 86 1HB ASN 86 2.273 -14.967 -4.576 618 1HD2 ASN 86 1HD2 ASN 86 2.302 -14.550 -6.774 619 2HD2 ASN 86 2HD2 ASN 86 2.379 -12.932 -7.406 620 H CYS 87 H CYS 87 2.838 -12.300 -0.841 621 HA CYS 87 HA CYS 87 4.582 -10.242 -1.423 622 1HB CYS 87 2HB CYS 87 3.270 -10.054 0.514 623 2HB CYS 87 1HB CYS 87 3.821 -11.603 1.148 624 H ASN 88 H ASN 88 5.396 -13.485 -0.243 625 HA ASN 88 HA ASN 88 8.207 -12.686 0.050 626 1HB ASN 88 2HB ASN 88 6.933 -14.108 1.761 627 2HB ASN 88 1HB ASN 88 7.003 -15.411 0.581 628 1HD2 ASN 88 1HD2 ASN 88 8.784 -13.466 2.811 629 2HD2 ASN 88 2HD2 ASN 88 10.244 -14.410 2.796 630 H SER 89 H SER 89 6.272 -13.637 -2.396 631 HA SER 89 HA SER 89 8.355 -15.281 -3.668 632 1HB SER 89 2HB SER 89 5.425 -15.137 -4.403 633 2HB SER 89 1HB SER 89 6.617 -16.301 -4.989 634 HG SER 89 HG SER 89 5.694 -17.408 -3.389 635 H ILE 90 H ILE 90 7.279 -12.193 -3.594 636 HA ILE 90 HA ILE 90 7.148 -11.592 -6.390 637 HB ILE 90 HB ILE 90 7.323 -9.219 -5.700 638 1HG1 ILE 90 2HG1 ILE 90 7.477 -10.357 -2.897 639 2HG1 ILE 90 1HG1 ILE 90 8.796 -9.540 -3.743 640 1HG2 ILE 90 1HG2 ILE 90 5.187 -9.134 -4.496 641 2HG2 ILE 90 2HG2 ILE 90 5.314 -10.863 -4.173 642 3HG2 ILE 90 3HG2 ILE 90 5.157 -10.285 -5.831 643 1HD1 ILE 90 1HD1 ILE 90 7.752 -8.043 -2.167 644 2HD1 ILE 90 2HD1 ILE 90 6.171 -8.326 -2.891 645 3HD1 ILE 90 3HD1 ILE 90 7.424 -7.492 -3.810 646 H ASN 91 H ASN 91 9.635 -11.614 -3.957 647 HA ASN 91 HA ASN 91 11.873 -11.369 -3.988 648 1HB ASN 91 2HB ASN 91 11.447 -11.746 -6.947 649 2HB ASN 91 1HB ASN 91 13.047 -11.445 -6.272 650 1HD2 ASN 91 1HD2 ASN 91 12.625 -12.908 -3.856 651 2HD2 ASN 91 2HD2 ASN 91 12.620 -14.587 -4.270 Start of MODEL 5 1 1H MET 1 1HT MET 1 14.156 -1.081 4.855 2 2H MET 1 2HT MET 1 13.903 0.592 4.884 3 3H MET 1 3HT MET 1 13.751 -0.257 3.421 4 HA MET 1 HA MET 1 11.599 0.314 4.319 5 1HB MET 1 2HB MET 1 11.764 -1.713 2.991 6 2HB MET 1 1HB MET 1 12.290 -2.633 4.398 7 1HG MET 1 2HG MET 1 9.639 -1.248 4.404 8 2HG MET 1 1HG MET 1 9.835 -2.799 3.590 9 1HE MET 1 1HE MET 1 7.970 -3.551 7.041 10 2HE MET 1 2HE MET 1 7.800 -3.557 5.286 11 3HE MET 1 3HE MET 1 7.864 -2.027 6.161 12 H THR 2 H THR 2 10.629 0.966 5.976 13 HA THR 2 HA THR 2 10.741 -0.649 8.427 14 HB THR 2 HB THR 2 10.114 1.419 9.662 15 HG1 THR 2 1HG THR 2 10.360 3.433 8.508 16 1HG2 THR 2 1HG2 THR 2 12.660 1.707 8.061 17 2HG2 THR 2 2HG2 THR 2 12.478 0.770 9.543 18 3HG2 THR 2 3HG2 THR 2 12.296 2.524 9.580 19 H CYS 3 H CYS 3 8.581 -0.521 9.611 20 HA CYS 3 HA CYS 3 6.438 -0.675 7.678 21 1HB CYS 3 2HB CYS 3 6.710 -2.094 9.819 22 2HB CYS 3 1HB CYS 3 6.033 -0.697 10.660 23 H GLY 4 H GLY 4 8.065 1.798 8.651 24 1HA GLY 4 2HA GLY 4 5.769 3.611 9.049 25 2HA GLY 4 1HA GLY 4 7.461 4.024 9.328 26 H GLN 5 H GLN 5 8.339 2.672 6.941 27 HA GLN 5 HA GLN 5 8.048 4.616 4.940 28 1HB GLN 5 2HB GLN 5 9.941 3.074 5.013 29 2HB GLN 5 1HB GLN 5 8.863 1.714 4.739 30 1HG GLN 5 2HG GLN 5 8.318 2.593 2.523 31 2HG GLN 5 1HG GLN 5 9.410 3.952 2.802 32 1HE2 GLN 5 1HE2 GLN 5 9.454 1.804 0.781 33 2HE2 GLN 5 2HE2 GLN 5 11.012 1.050 0.936 34 H VAL 6 H VAL 6 6.540 1.454 5.438 35 HA VAL 6 HA VAL 6 4.783 1.706 3.185 36 HB VAL 6 HB VAL 6 5.540 -0.490 4.062 37 1HG1 VAL 6 1HG1 VAL 6 3.600 -0.084 6.310 38 2HG1 VAL 6 2HG1 VAL 6 5.338 0.161 6.463 39 3HG1 VAL 6 3HG1 VAL 6 4.710 -1.433 6.047 40 1HG2 VAL 6 1HG2 VAL 6 3.388 -1.639 3.852 41 2HG2 VAL 6 2HG2 VAL 6 3.566 -0.368 2.643 42 3HG2 VAL 6 3HG2 VAL 6 2.548 -0.101 4.059 43 H GLN 7 H GLN 7 4.680 2.692 6.505 44 HA GLN 7 HA GLN 7 1.941 2.999 6.914 45 1HB GLN 7 2HB GLN 7 4.384 4.118 8.058 46 2HB GLN 7 1HB GLN 7 3.057 5.274 8.052 47 1HG GLN 7 2HG GLN 7 2.900 2.507 9.220 48 2HG GLN 7 1HG GLN 7 3.251 3.967 10.141 49 1HE2 GLN 7 1HE2 GLN 7 1.058 2.113 10.442 50 2HE2 GLN 7 2HE2 GLN 7 -0.396 3.034 10.234 51 H GLY 8 H GLY 8 4.278 5.254 5.472 52 1HA GLY 8 2HA GLY 8 2.456 7.317 4.909 53 2HA GLY 8 1HA GLY 8 3.998 7.075 4.107 54 H ASN 9 H ASN 9 2.839 4.276 3.403 55 HA ASN 9 HA ASN 9 1.970 5.017 0.793 56 1HB ASN 9 2HB ASN 9 3.265 2.976 1.140 57 2HB ASN 9 1HB ASN 9 2.016 2.317 2.181 58 1HD2 ASN 9 1HD2 ASN 9 3.049 2.872 -1.039 59 2HD2 ASN 9 2HD2 ASN 9 1.783 1.987 -1.827 60 H LEU 10 H LEU 10 0.347 3.837 3.707 61 HA LEU 10 HA LEU 10 -2.217 4.117 2.292 62 1HB LEU 10 2HB LEU 10 -1.490 2.498 4.718 63 2HB LEU 10 1HB LEU 10 -3.148 2.775 4.214 64 HG LEU 10 HG LEU 10 -2.221 1.812 1.918 65 1HD1 LEU 10 1HD1 LEU 10 -0.452 0.533 3.990 66 2HD1 LEU 10 2HD1 LEU 10 0.066 1.584 2.670 67 3HD1 LEU 10 3HD1 LEU 10 -0.632 0.001 2.317 68 1HD2 LEU 10 1HD2 LEU 10 -3.045 -0.389 2.625 69 2HD2 LEU 10 2HD2 LEU 10 -4.099 0.924 3.154 70 3HD2 LEU 10 3HD2 LEU 10 -3.010 0.151 4.306 71 H ALA 11 H ALA 11 -0.406 5.238 5.056 72 HA ALA 11 HA ALA 11 -2.524 6.189 6.626 73 1HB ALA 11 1HB ALA 11 -0.868 7.555 7.765 74 2HB ALA 11 2HB ALA 11 0.279 7.274 6.456 75 3HB ALA 11 3HB ALA 11 -0.249 5.931 7.469 76 H GLN 12 H GLN 12 -1.187 7.464 3.719 77 HA GLN 12 HA GLN 12 -2.227 10.125 4.265 78 1HB GLN 12 2HB GLN 12 -0.967 9.151 1.704 79 2HB GLN 12 1HB GLN 12 -1.147 10.813 2.246 80 1HG GLN 12 2HG GLN 12 0.367 10.182 4.178 81 2HG GLN 12 1HG GLN 12 0.715 8.704 3.279 82 1HE2 GLN 12 1HE2 GLN 12 1.046 12.169 3.362 83 2HE2 GLN 12 2HE2 GLN 12 2.305 12.270 2.169 84 H CYS 13 H CYS 13 -3.150 7.242 2.572 85 HA CYS 13 HA CYS 13 -5.355 8.729 1.343 86 1HB CYS 13 2HB CYS 13 -4.078 6.116 0.792 87 2HB CYS 13 1HB CYS 13 -5.815 6.211 0.528 88 H ILE 14 H ILE 14 -4.633 7.077 4.140 89 HA ILE 14 HA ILE 14 -6.708 5.361 4.620 90 HB ILE 14 HB ILE 14 -4.641 5.839 6.055 91 1HG1 ILE 14 2HG1 ILE 14 -7.306 5.450 7.420 92 2HG1 ILE 14 1HG1 ILE 14 -6.409 4.204 6.552 93 1HG2 ILE 14 1HG2 ILE 14 -5.038 8.222 6.450 94 2HG2 ILE 14 2HG2 ILE 14 -4.960 7.324 7.968 95 3HG2 ILE 14 3HG2 ILE 14 -6.521 7.832 7.323 96 1HD1 ILE 14 1HD1 ILE 14 -5.487 5.643 9.027 97 2HD1 ILE 14 2HD1 ILE 14 -4.588 4.398 8.163 98 3HD1 ILE 14 3HD1 ILE 14 -6.113 3.996 8.953 99 H GLY 15 H GLY 15 -6.764 8.875 4.749 100 1HA GLY 15 2HA GLY 15 -9.225 9.233 6.073 101 2HA GLY 15 1HA GLY 15 -8.582 10.285 4.832 102 H PHE 16 H PHE 16 -8.712 9.279 2.578 103 HA PHE 16 HA PHE 16 -11.397 8.877 1.844 104 1HB PHE 16 2HB PHE 16 -10.023 9.777 0.196 105 2HB PHE 16 1HB PHE 16 -8.723 8.636 0.519 106 HD1 PHE 16 1HD PHE 16 -11.868 9.207 -1.255 107 HD2 PHE 16 2HD PHE 16 -8.721 6.435 -0.514 108 HE1 PHE 16 1HE PHE 16 -12.585 7.874 -3.191 109 HE2 PHE 16 2HE PHE 16 -9.435 5.100 -2.450 110 HZ PHE 16 HZ PHE 16 -11.368 5.820 -3.791 111 H LEU 17 H LEU 17 -8.744 6.752 2.480 112 HA LEU 17 HA LEU 17 -9.647 4.305 1.533 113 1HB LEU 17 2HB LEU 17 -7.400 5.128 2.606 114 2HB LEU 17 1HB LEU 17 -8.146 4.607 4.105 115 HG LEU 17 HG LEU 17 -8.347 2.337 3.175 116 1HD1 LEU 17 1HD1 LEU 17 -6.696 3.475 0.920 117 2HD1 LEU 17 2HD1 LEU 17 -8.367 2.909 0.799 118 3HD1 LEU 17 3HD1 LEU 17 -7.074 1.765 1.160 119 1HD2 LEU 17 1HD2 LEU 17 -5.971 1.787 3.364 120 2HD2 LEU 17 2HD2 LEU 17 -6.480 2.932 4.605 121 3HD2 LEU 17 3HD2 LEU 17 -5.572 3.496 3.202 122 H GLN 18 H GLN 18 -10.064 5.816 4.745 123 HA GLN 18 HA GLN 18 -11.696 3.552 5.612 124 1HB GLN 18 2HB GLN 18 -9.961 4.183 7.125 125 2HB GLN 18 1HB GLN 18 -10.403 5.882 7.031 126 1HG GLN 18 2HG GLN 18 -12.587 5.265 8.048 127 2HG GLN 18 1HG GLN 18 -11.917 3.660 8.342 128 1HE2 GLN 18 1HE2 GLN 18 -9.234 4.811 8.822 129 2HE2 GLN 18 2HE2 GLN 18 -9.301 5.498 10.406 130 H LYS 19 H LYS 19 -11.833 7.115 5.437 131 HA LYS 19 HA LYS 19 -14.652 7.070 6.212 132 1HB LYS 19 2HB LYS 19 -12.928 9.470 5.577 133 2HB LYS 19 1HB LYS 19 -14.466 9.458 6.429 134 1HG LYS 19 2HG LYS 19 -11.935 8.196 7.451 135 2HG LYS 19 1HG LYS 19 -12.523 9.797 7.902 136 1HD LYS 19 2HD LYS 19 -14.657 8.653 8.639 137 2HD LYS 19 1HD LYS 19 -13.793 7.126 8.452 138 1HE LYS 19 2HE LYS 19 -12.133 7.843 10.071 139 2HE LYS 19 1HE LYS 19 -12.931 9.411 10.220 140 1HZ LYS 19 1HZ LYS 19 -13.628 8.073 12.032 141 2HZ LYS 19 2HZ LYS 19 -14.002 6.766 11.020 142 3HZ LYS 19 3HZ LYS 19 -14.940 8.177 10.962 143 H GLY 20 H GLY 20 -12.631 8.378 3.613 144 1HA GLY 20 2HA GLY 20 -13.546 7.885 1.300 145 2HA GLY 20 1HA GLY 20 -15.043 8.581 1.920 146 H GLY 21 H GLY 21 -13.991 9.723 -0.305 147 1HA GLY 21 2HA GLY 21 -14.068 12.312 -0.139 148 2HA GLY 21 1HA GLY 21 -12.521 12.086 0.666 149 H VAL 22 H VAL 22 -10.716 11.845 -0.535 150 HA VAL 22 HA VAL 22 -10.848 11.269 -3.369 151 HB VAL 22 HB VAL 22 -11.384 13.671 -3.298 152 1HG1 VAL 22 1HG1 VAL 22 -10.313 14.282 -1.219 153 2HG1 VAL 22 2HG1 VAL 22 -9.707 15.297 -2.528 154 3HG1 VAL 22 3HG1 VAL 22 -8.723 13.970 -1.915 155 1HG2 VAL 22 1HG2 VAL 22 -9.633 14.475 -4.818 156 2HG2 VAL 22 2HG2 VAL 22 -10.152 12.836 -5.211 157 3HG2 VAL 22 3HG2 VAL 22 -8.624 13.100 -4.370 158 H VAL 23 H VAL 23 -8.770 10.796 -4.257 159 HA VAL 23 HA VAL 23 -6.737 10.197 -2.257 160 HB VAL 23 HB VAL 23 -6.866 9.520 -5.198 161 1HG1 VAL 23 1HG1 VAL 23 -4.827 8.716 -3.125 162 2HG1 VAL 23 2HG1 VAL 23 -4.545 9.765 -4.516 163 3HG1 VAL 23 3HG1 VAL 23 -4.932 8.061 -4.759 164 1HG2 VAL 23 1HG2 VAL 23 -7.198 7.229 -4.395 165 2HG2 VAL 23 2HG2 VAL 23 -8.479 8.307 -3.836 166 3HG2 VAL 23 3HG2 VAL 23 -7.190 7.819 -2.733 167 HA PRO 24 HA PRO 24 -4.764 14.055 -3.431 168 1HB PRO 24 2HB PRO 24 -3.126 14.166 -1.302 169 2HB PRO 24 1HB PRO 24 -4.854 14.516 -1.161 170 1HG PRO 24 2HG PRO 24 -3.375 11.993 -0.507 171 2HG PRO 24 1HG PRO 24 -4.636 12.826 0.432 172 1HD PRO 24 2HD PRO 24 -5.118 10.664 -1.167 173 2HD PRO 24 1HD PRO 24 -6.328 11.921 -0.829 174 HA PRO 25 HA PRO 25 -1.024 12.557 -5.418 175 1HB PRO 25 2HB PRO 25 0.340 14.968 -5.402 176 2HB PRO 25 1HB PRO 25 -0.828 14.472 -6.635 177 1HG PRO 25 2HG PRO 25 -1.194 16.270 -4.284 178 2HG PRO 25 1HG PRO 25 -1.881 16.394 -5.914 179 1HD PRO 25 2HD PRO 25 -3.321 15.522 -3.807 180 2HD PRO 25 1HD PRO 25 -3.572 14.892 -5.448 181 H SER 26 H SER 26 -1.263 13.890 -2.327 182 HA SER 26 HA SER 26 1.447 13.708 -1.461 183 1HB SER 26 2HB SER 26 -1.076 13.506 0.203 184 2HB SER 26 1HB SER 26 0.531 13.978 0.765 185 HG SER 26 HG SER 26 -0.071 15.615 -1.216 186 H CYS 27 H CYS 27 -1.449 11.798 -0.819 187 HA CYS 27 HA CYS 27 -0.323 9.504 0.222 188 1HB CYS 27 2HB CYS 27 -2.643 9.603 0.328 189 2HB CYS 27 1HB CYS 27 -2.799 10.081 -1.366 190 H CYS 28 H CYS 28 -0.903 10.414 -3.159 191 HA CYS 28 HA CYS 28 -0.107 8.140 -4.446 192 1HB CYS 28 2HB CYS 28 -0.916 9.789 -5.867 193 2HB CYS 28 1HB CYS 28 0.105 11.037 -5.159 194 H THR 29 H THR 29 1.904 10.709 -3.144 195 HA THR 29 HA THR 29 4.319 9.814 -4.223 196 HB THR 29 HB THR 29 3.856 11.426 -1.700 197 HG1 THR 29 1HG THR 29 2.960 12.382 -3.611 198 1HG2 THR 29 1HG2 THR 29 6.121 12.281 -2.068 199 2HG2 THR 29 2HG2 THR 29 6.310 11.190 -3.439 200 3HG2 THR 29 3HG2 THR 29 6.126 10.537 -1.812 201 H GLY 30 H GLY 30 2.710 9.102 -1.137 202 1HA GLY 30 2HA GLY 30 4.832 7.444 -0.151 203 2HA GLY 30 1HA GLY 30 3.197 7.538 0.496 204 H VAL 31 H VAL 31 1.897 6.886 -1.996 205 HA VAL 31 HA VAL 31 1.951 4.063 -1.848 206 HB VAL 31 HB VAL 31 0.764 5.843 -3.990 207 1HG1 VAL 31 1HG1 VAL 31 -0.605 3.916 -4.605 208 2HG1 VAL 31 2HG1 VAL 31 0.256 2.924 -3.428 209 3HG1 VAL 31 3HG1 VAL 31 1.112 3.576 -4.827 210 1HG2 VAL 31 1HG2 VAL 31 -1.356 5.425 -2.833 211 2HG2 VAL 31 2HG2 VAL 31 -0.189 6.250 -1.799 212 3HG2 VAL 31 3HG2 VAL 31 -0.489 4.525 -1.590 213 H LYS 32 H LYS 32 3.144 6.326 -4.325 214 HA LYS 32 HA LYS 32 4.259 4.289 -5.936 215 1HB LYS 32 2HB LYS 32 3.734 6.541 -6.786 216 2HB LYS 32 1HB LYS 32 5.031 7.206 -5.802 217 1HG LYS 32 2HG LYS 32 6.692 6.218 -7.109 218 2HG LYS 32 1HG LYS 32 5.567 5.066 -7.830 219 1HD LYS 32 2HD LYS 32 5.501 8.046 -8.283 220 2HD LYS 32 1HD LYS 32 6.246 6.878 -9.375 221 1HE LYS 32 2HE LYS 32 4.120 5.790 -9.734 222 2HE LYS 32 1HE LYS 32 3.346 6.842 -8.549 223 1HZ LYS 32 1HZ LYS 32 2.854 7.682 -10.700 224 2HZ LYS 32 2HZ LYS 32 4.480 7.633 -11.178 225 3HZ LYS 32 3HZ LYS 32 3.974 8.743 -10.001 226 H ASN 33 H ASN 33 5.256 5.755 -3.021 227 HA ASN 33 HA ASN 33 8.041 5.348 -3.178 228 1HB ASN 33 2HB ASN 33 6.894 6.723 -1.437 229 2HB ASN 33 1HB ASN 33 6.285 5.236 -0.710 230 1HD2 ASN 33 1HD2 ASN 33 9.025 7.275 -1.208 231 2HD2 ASN 33 2HD2 ASN 33 10.074 6.488 -0.076 232 H ILE 34 H ILE 34 5.389 3.279 -2.068 233 HA ILE 34 HA ILE 34 7.157 1.062 -1.508 234 HB ILE 34 HB ILE 34 4.249 1.622 -1.204 235 1HG1 ILE 34 2HG1 ILE 34 4.612 1.142 1.021 236 2HG1 ILE 34 1HG1 ILE 34 5.876 -0.034 0.673 237 1HG2 ILE 34 1HG2 ILE 34 4.094 -0.455 -2.416 238 2HG2 ILE 34 2HG2 ILE 34 3.706 -0.727 -0.715 239 3HG2 ILE 34 3HG2 ILE 34 5.282 -1.204 -1.349 240 1HD1 ILE 34 1HD1 ILE 34 6.110 2.960 0.579 241 2HD1 ILE 34 2HD1 ILE 34 7.367 1.835 0.052 242 3HD1 ILE 34 3HD1 ILE 34 6.852 1.859 1.745 243 H LEU 35 H LEU 35 5.752 2.351 -4.258 244 HA LEU 35 HA LEU 35 5.829 -0.241 -5.639 245 1HB LEU 35 2HB LEU 35 3.963 2.094 -5.957 246 2HB LEU 35 1HB LEU 35 4.084 0.810 -7.153 247 HG LEU 35 HG LEU 35 3.630 0.101 -4.307 248 1HD1 LEU 35 1HD1 LEU 35 1.991 1.836 -4.745 249 2HD1 LEU 35 2HD1 LEU 35 1.219 0.254 -4.646 250 3HD1 LEU 35 3HD1 LEU 35 1.488 1.006 -6.218 251 1HD2 LEU 35 1HD2 LEU 35 2.507 -1.784 -5.352 252 2HD2 LEU 35 2HD2 LEU 35 4.148 -1.582 -5.977 253 3HD2 LEU 35 3HD2 LEU 35 2.765 -1.056 -6.940 254 H ASN 36 H ASN 36 7.780 1.901 -5.266 255 HA ASN 36 HA ASN 36 8.983 1.665 -7.838 256 1HB ASN 36 2HB ASN 36 7.654 3.492 -8.552 257 2HB ASN 36 1HB ASN 36 7.892 4.362 -7.043 258 1HD2 ASN 36 1HD2 ASN 36 9.274 3.519 -10.118 259 2HD2 ASN 36 2HD2 ASN 36 10.595 4.636 -10.054 260 H SER 37 H SER 37 9.019 3.744 -4.948 261 HA SER 37 HA SER 37 11.881 3.908 -5.003 262 1HB SER 37 2HB SER 37 9.915 4.801 -2.882 263 2HB SER 37 1HB SER 37 11.628 5.234 -2.947 264 HG SER 37 HG SER 37 10.394 5.743 -5.307 265 H SER 38 H SER 38 9.792 1.516 -3.997 266 HA SER 38 HA SER 38 11.325 0.533 -1.781 267 1HB SER 38 2HB SER 38 9.915 -1.496 -2.086 268 2HB SER 38 1HB SER 38 8.964 -0.026 -2.018 269 HG SER 38 HG SER 38 8.145 -0.980 -3.753 270 H ARG 39 H ARG 39 13.368 -0.092 -2.072 271 HA ARG 39 HA ARG 39 14.327 -0.316 -4.773 272 1HB ARG 39 2HB ARG 39 15.921 -0.548 -2.217 273 2HB ARG 39 1HB ARG 39 16.562 -0.276 -3.833 274 1HG ARG 39 2HG ARG 39 16.590 1.864 -3.168 275 2HG ARG 39 1HG ARG 39 14.884 1.821 -3.624 276 1HD ARG 39 2HD ARG 39 15.000 2.787 -1.457 277 2HD ARG 39 1HD ARG 39 14.374 1.151 -1.266 278 HE ARG 39 HE ARG 39 17.112 0.969 -0.937 279 1HH1 ARG 39 1HH1 ARG 39 14.412 2.544 0.675 280 2HH1 ARG 39 2HH1 ARG 39 15.210 2.573 2.222 281 1HH2 ARG 39 1HH2 ARG 39 18.133 1.011 1.095 282 2HH2 ARG 39 2HH2 ARG 39 17.311 1.705 2.464 283 H THR 40 H THR 40 15.362 -2.310 -2.036 284 HA THR 40 HA THR 40 15.859 -4.466 -3.936 285 HB THR 40 HB THR 40 17.212 -5.458 -2.148 286 HG1 THR 40 1HG THR 40 17.401 -3.632 -0.323 287 1HG2 THR 40 1HG2 THR 40 18.928 -3.719 -1.985 288 2HG2 THR 40 2HG2 THR 40 17.753 -2.504 -2.496 289 3HG2 THR 40 3HG2 THR 40 18.246 -3.780 -3.612 290 H THR 41 H THR 41 15.606 -6.739 -2.781 291 HA THR 41 HA THR 41 12.858 -7.195 -2.364 292 HB THR 41 HB THR 41 15.136 -8.956 -1.485 293 HG1 THR 41 1HG THR 41 15.499 -8.595 -3.636 294 1HG2 THR 41 1HG2 THR 41 13.544 -10.784 -1.899 295 2HG2 THR 41 2HG2 THR 41 12.303 -9.602 -2.312 296 3HG2 THR 41 3HG2 THR 41 12.943 -9.669 -0.671 297 H ALA 42 H ALA 42 15.532 -6.560 -0.185 298 HA ALA 42 HA ALA 42 14.164 -7.197 2.230 299 1HB ALA 42 1HB ALA 42 15.977 -6.021 3.346 300 2HB ALA 42 2HB ALA 42 16.504 -5.335 1.807 301 3HB ALA 42 3HB ALA 42 16.616 -7.074 2.084 302 H ASP 43 H ASP 43 13.859 -4.705 -0.005 303 HA ASP 43 HA ASP 43 12.526 -2.944 1.960 304 1HB ASP 43 2HB ASP 43 14.590 -2.112 0.623 305 2HB ASP 43 1HB ASP 43 13.509 -2.082 -0.763 306 H ARG 44 H ARG 44 11.770 -5.322 0.065 307 HA ARG 44 HA ARG 44 9.422 -4.052 -1.170 308 1HB ARG 44 2HB ARG 44 11.243 -4.401 -2.816 309 2HB ARG 44 1HB ARG 44 11.214 -6.120 -2.450 310 1HG ARG 44 2HG ARG 44 9.091 -6.389 -3.458 311 2HG ARG 44 1HG ARG 44 8.840 -4.642 -3.554 312 1HD ARG 44 2HD ARG 44 10.659 -4.432 -5.136 313 2HD ARG 44 1HD ARG 44 11.031 -6.145 -4.983 314 HE ARG 44 HE ARG 44 9.120 -6.661 -6.251 315 1HH1 ARG 44 1HH1 ARG 44 9.539 -3.203 -5.838 316 2HH1 ARG 44 2HH1 ARG 44 8.556 -2.793 -7.211 317 1HH2 ARG 44 1HH2 ARG 44 7.851 -6.138 -8.039 318 2HH2 ARG 44 2HH2 ARG 44 7.595 -4.472 -8.469 319 H ARG 45 H ARG 45 10.915 -7.149 -0.263 320 HA ARG 45 HA ARG 45 8.327 -8.438 -0.116 321 1HB ARG 45 2HB ARG 45 10.216 -9.697 -0.984 322 2HB ARG 45 1HB ARG 45 11.113 -9.435 0.503 323 1HG ARG 45 2HG ARG 45 9.555 -10.799 1.734 324 2HG ARG 45 1HG ARG 45 8.545 -10.985 0.297 325 1HD ARG 45 2HD ARG 45 11.415 -11.859 0.451 326 2HD ARG 45 1HD ARG 45 10.052 -12.922 0.807 327 HE ARG 45 HE ARG 45 9.368 -12.145 -1.607 328 1HH1 ARG 45 1HH1 ARG 45 12.532 -13.023 -0.411 329 2HH1 ARG 45 2HH1 ARG 45 13.097 -13.602 -1.953 330 1HH2 ARG 45 1HH2 ARG 45 10.095 -12.917 -3.645 331 2HH2 ARG 45 2HH2 ARG 45 11.727 -13.503 -3.794 332 H ALA 46 H ALA 46 10.348 -6.659 1.948 333 HA ALA 46 HA ALA 46 9.259 -7.811 4.375 334 1HB ALA 46 1HB ALA 46 10.591 -6.133 5.539 335 2HB ALA 46 2HB ALA 46 10.991 -5.370 3.999 336 3HB ALA 46 3HB ALA 46 11.569 -6.999 4.353 337 H VAL 47 H VAL 47 8.632 -5.207 2.183 338 HA VAL 47 HA VAL 47 7.054 -3.669 4.055 339 HB VAL 47 HB VAL 47 8.439 -2.655 2.212 340 1HG1 VAL 47 1HG1 VAL 47 6.189 -3.601 0.451 341 2HG1 VAL 47 2HG1 VAL 47 7.868 -4.139 0.387 342 3HG1 VAL 47 3HG1 VAL 47 7.460 -2.471 -0.017 343 1HG2 VAL 47 1HG2 VAL 47 6.781 -1.376 3.418 344 2HG2 VAL 47 2HG2 VAL 47 5.527 -1.917 2.301 345 3HG2 VAL 47 3HG2 VAL 47 6.836 -0.883 1.726 346 H CYS 48 H CYS 48 6.440 -5.978 1.447 347 HA CYS 48 HA CYS 48 3.648 -5.551 1.311 348 1HB CYS 48 2HB CYS 48 3.648 -7.922 0.339 349 2HB CYS 48 1HB CYS 48 4.589 -6.704 -0.510 350 H SER 49 H SER 49 5.683 -7.537 3.330 351 HA SER 49 HA SER 49 3.764 -9.038 4.672 352 1HB SER 49 2HB SER 49 6.287 -7.847 5.853 353 2HB SER 49 1HB SER 49 5.401 -9.238 6.471 354 HG SER 49 HG SER 49 6.028 -9.580 3.858 355 H CYS 50 H CYS 50 4.864 -5.717 5.257 356 HA CYS 50 HA CYS 50 3.095 -5.452 7.530 357 1HB CYS 50 2HB CYS 50 5.389 -4.054 6.572 358 2HB CYS 50 1HB CYS 50 4.059 -2.908 6.712 359 H LEU 51 H LEU 51 3.118 -4.563 4.123 360 HA LEU 51 HA LEU 51 0.837 -2.950 4.067 361 1HB LEU 51 2HB LEU 51 2.398 -3.471 2.156 362 2HB LEU 51 1HB LEU 51 1.619 -5.033 2.016 363 HG LEU 51 HG LEU 51 -0.006 -2.518 1.786 364 1HD1 LEU 51 1HD1 LEU 51 0.379 -2.538 -0.627 365 2HD1 LEU 51 2HD1 LEU 51 1.555 -3.839 -0.434 366 3HD1 LEU 51 3HD1 LEU 51 1.879 -2.248 0.253 367 1HD2 LEU 51 1HD2 LEU 51 -0.258 -5.283 0.598 368 2HD2 LEU 51 2HD2 LEU 51 -1.375 -3.946 0.328 369 3HD2 LEU 51 3HD2 LEU 51 -1.201 -4.636 1.941 370 H LYS 52 H LYS 52 1.222 -6.436 4.181 371 HA LYS 52 HA LYS 52 -1.391 -7.313 3.999 372 1HB LYS 52 2HB LYS 52 0.365 -8.904 4.053 373 2HB LYS 52 1HB LYS 52 0.969 -8.303 5.587 374 1HG LYS 52 2HG LYS 52 -0.994 -9.198 6.720 375 2HG LYS 52 1HG LYS 52 -1.621 -9.782 5.176 376 1HD LYS 52 2HD LYS 52 -0.492 -11.553 6.485 377 2HD LYS 52 1HD LYS 52 0.270 -11.267 4.921 378 1HE LYS 52 2HE LYS 52 2.004 -11.501 6.545 379 2HE LYS 52 1HE LYS 52 1.927 -9.802 6.082 380 1HZ LYS 52 1HZ LYS 52 2.091 -9.724 8.372 381 2HZ LYS 52 2HZ LYS 52 1.099 -11.073 8.607 382 3HZ LYS 52 3HZ LYS 52 0.413 -9.595 8.141 383 H ALA 53 H ALA 53 0.305 -5.987 6.825 384 HA ALA 53 HA ALA 53 -1.941 -6.313 8.575 385 1HB ALA 53 1HB ALA 53 0.262 -6.151 9.556 386 2HB ALA 53 2HB ALA 53 -0.729 -4.785 10.092 387 3HB ALA 53 3HB ALA 53 0.496 -4.553 8.839 388 H ALA 54 H ALA 54 -0.576 -3.666 6.686 389 HA ALA 54 HA ALA 54 -2.221 -1.606 7.605 390 1HB ALA 54 1HB ALA 54 -0.983 -1.888 4.873 391 2HB ALA 54 2HB ALA 54 -0.166 -1.269 6.310 392 3HB ALA 54 3HB ALA 54 -1.536 -0.392 5.626 393 H ALA 55 H ALA 55 -2.713 -3.945 5.011 394 HA ALA 55 HA ALA 55 -5.053 -2.898 3.895 395 1HB ALA 55 1HB ALA 55 -5.470 -5.157 3.074 396 2HB ALA 55 2HB ALA 55 -4.269 -5.795 4.197 397 3HB ALA 55 3HB ALA 55 -3.770 -4.723 2.888 398 H GLY 56 H GLY 56 -4.510 -4.686 6.829 399 1HA GLY 56 2HA GLY 56 -7.416 -4.666 7.353 400 2HA GLY 56 1HA GLY 56 -6.277 -5.794 8.091 401 H ALA 57 H ALA 57 -5.229 -2.556 7.736 402 HA ALA 57 HA ALA 57 -5.663 -2.083 10.615 403 1HB ALA 57 1HB ALA 57 -3.388 -1.114 8.890 404 2HB ALA 57 2HB ALA 57 -3.307 -2.429 10.061 405 3HB ALA 57 3HB ALA 57 -3.603 -0.779 10.607 406 H VAL 58 H VAL 58 -7.288 -1.376 8.177 407 HA VAL 58 HA VAL 58 -6.857 1.369 7.588 408 HB VAL 58 HB VAL 58 -9.287 -0.290 6.944 409 1HG1 VAL 58 1HG1 VAL 58 -8.214 2.205 5.631 410 2HG1 VAL 58 2HG1 VAL 58 -9.634 2.118 6.674 411 3HG1 VAL 58 3HG1 VAL 58 -9.630 1.289 5.118 412 1HG2 VAL 58 1HG2 VAL 58 -7.276 -1.369 6.112 413 2HG2 VAL 58 2HG2 VAL 58 -6.773 0.133 5.335 414 3HG2 VAL 58 3HG2 VAL 58 -8.220 -0.708 4.779 415 H ARG 59 H ARG 59 -8.528 -0.249 9.993 416 HA ARG 59 HA ARG 59 -9.870 0.381 11.735 417 1HB ARG 59 2HB ARG 59 -8.871 3.134 10.968 418 2HB ARG 59 1HB ARG 59 -9.746 2.760 12.447 419 1HG ARG 59 2HG ARG 59 -7.213 1.324 11.772 420 2HG ARG 59 1HG ARG 59 -7.180 2.922 12.521 421 1HD ARG 59 2HD ARG 59 -8.711 0.585 13.649 422 2HD ARG 59 1HD ARG 59 -7.056 0.983 14.115 423 HE ARG 59 HE ARG 59 -9.008 3.120 14.369 424 1HH1 ARG 59 1HH1 ARG 59 -7.320 0.495 15.966 425 2HH1 ARG 59 2HH1 ARG 59 -7.451 1.216 17.548 426 1HH2 ARG 59 1HH2 ARG 59 -9.203 4.045 16.435 427 2HH2 ARG 59 2HH2 ARG 59 -8.542 3.218 17.815 428 H GLY 60 H GLY 60 -10.937 0.086 9.143 429 1HA GLY 60 2HA GLY 60 -13.526 0.735 9.096 430 2HA GLY 60 1HA GLY 60 -12.778 2.259 8.591 431 H ILE 61 H ILE 61 -12.840 -1.199 7.899 432 HA ILE 61 HA ILE 61 -11.032 -1.015 5.743 433 HB ILE 61 HB ILE 61 -12.978 -3.272 6.228 434 1HG1 ILE 61 2HG1 ILE 61 -11.770 -2.728 8.313 435 2HG1 ILE 61 1HG1 ILE 61 -11.277 -4.287 7.662 436 1HG2 ILE 61 1HG2 ILE 61 -10.244 -3.212 4.958 437 2HG2 ILE 61 2HG2 ILE 61 -11.780 -3.350 4.101 438 3HG2 ILE 61 3HG2 ILE 61 -11.251 -4.643 5.179 439 1HD1 ILE 61 1HD1 ILE 61 -9.255 -3.277 6.761 440 2HD1 ILE 61 2HD1 ILE 61 -9.379 -3.028 8.502 441 3HD1 ILE 61 3HD1 ILE 61 -9.753 -1.707 7.394 442 H ASN 62 H ASN 62 -11.381 -0.157 3.854 443 HA ASN 62 HA ASN 62 -13.893 -0.804 2.462 444 1HB ASN 62 2HB ASN 62 -12.346 1.765 2.538 445 2HB ASN 62 1HB ASN 62 -13.298 1.352 1.111 446 1HD2 ASN 62 1HD2 ASN 62 -13.532 3.433 3.274 447 2HD2 ASN 62 2HD2 ASN 62 -15.179 3.299 3.810 448 HA PRO 63 HA PRO 63 -10.681 -3.021 0.177 449 1HB PRO 63 2HB PRO 63 -13.006 -4.095 -1.270 450 2HB PRO 63 1HB PRO 63 -11.751 -4.951 -0.363 451 1HG PRO 63 2HG PRO 63 -14.284 -4.705 0.531 452 2HG PRO 63 1HG PRO 63 -12.890 -4.784 1.620 453 1HD PRO 63 2HD PRO 63 -14.530 -2.440 0.798 454 2HD PRO 63 1HD PRO 63 -13.757 -2.789 2.356 455 H ASN 64 H ASN 64 -13.512 -1.445 -1.244 456 HA ASN 64 HA ASN 64 -12.569 -1.308 -3.889 457 1HB ASN 64 2HB ASN 64 -14.927 -0.834 -3.086 458 2HB ASN 64 1HB ASN 64 -14.350 0.748 -2.572 459 1HD2 ASN 64 1HD2 ASN 64 -15.074 -1.310 -5.264 460 2HD2 ASN 64 2HD2 ASN 64 -15.026 -0.077 -6.487 461 H ASN 65 H ASN 65 -12.096 0.824 -1.118 462 HA ASN 65 HA ASN 65 -10.720 2.821 -2.647 463 1HB ASN 65 2HB ASN 65 -10.881 2.448 0.348 464 2HB ASN 65 1HB ASN 65 -10.229 3.856 -0.478 465 1HD2 ASN 65 1HD2 ASN 65 -12.397 3.786 1.389 466 2HD2 ASN 65 2HD2 ASN 65 -13.795 4.368 0.555 467 H ALA 66 H ALA 66 -9.873 -0.045 -0.903 468 HA ALA 66 HA ALA 66 -7.101 0.452 -0.610 469 1HB ALA 66 1HB ALA 66 -8.551 -2.184 -0.833 470 2HB ALA 66 2HB ALA 66 -8.249 -1.291 0.656 471 3HB ALA 66 3HB ALA 66 -6.899 -1.959 -0.259 472 H GLU 67 H GLU 67 -9.071 -0.659 -3.254 473 HA GLU 67 HA GLU 67 -6.781 -1.412 -4.871 474 1HB GLU 67 2HB GLU 67 -8.935 -2.631 -5.037 475 2HB GLU 67 1HB GLU 67 -9.700 -1.164 -5.624 476 1HG GLU 67 2HG GLU 67 -8.285 -1.187 -7.595 477 2HG GLU 67 1HG GLU 67 -7.460 -2.628 -6.999 478 H ALA 68 H ALA 68 -8.789 1.328 -4.290 479 HA ALA 68 HA ALA 68 -8.066 2.800 -6.636 480 1HB ALA 68 1HB ALA 68 -9.081 4.711 -5.467 481 2HB ALA 68 2HB ALA 68 -9.216 3.734 -4.006 482 3HB ALA 68 3HB ALA 68 -10.132 3.296 -5.448 483 H LEU 69 H LEU 69 -6.637 2.151 -3.603 484 HA LEU 69 HA LEU 69 -5.019 4.343 -3.136 485 1HB LEU 69 2HB LEU 69 -5.321 2.527 -1.546 486 2HB LEU 69 1HB LEU 69 -4.469 1.423 -2.607 487 HG LEU 69 HG LEU 69 -2.431 2.902 -2.311 488 1HD1 LEU 69 1HD1 LEU 69 -4.120 4.019 -0.078 489 2HD1 LEU 69 2HD1 LEU 69 -3.577 4.894 -1.509 490 3HD1 LEU 69 3HD1 LEU 69 -2.402 4.325 -0.324 491 1HD2 LEU 69 1HD2 LEU 69 -1.884 1.923 -0.135 492 2HD2 LEU 69 2HD2 LEU 69 -2.676 0.754 -1.192 493 3HD2 LEU 69 3HD2 LEU 69 -3.584 1.523 0.111 494 HA PRO 70 HA PRO 70 -1.513 2.612 -5.859 495 1HB PRO 70 2HB PRO 70 -1.799 0.306 -7.231 496 2HB PRO 70 1HB PRO 70 -1.266 0.346 -5.546 497 1HG PRO 70 2HG PRO 70 -3.944 -0.318 -6.676 498 2HG PRO 70 1HG PRO 70 -3.095 -1.033 -5.296 499 1HD PRO 70 2HD PRO 70 -5.110 0.843 -5.108 500 2HD PRO 70 1HD PRO 70 -3.901 0.528 -3.851 501 H GLY 71 H GLY 71 -4.612 3.129 -6.725 502 1HA GLY 71 2HA GLY 71 -4.260 2.933 -9.602 503 2HA GLY 71 1HA GLY 71 -5.733 3.388 -8.762 504 H LYS 72 H LYS 72 -5.044 5.536 -7.281 505 HA LYS 72 HA LYS 72 -4.944 7.440 -9.442 506 1HB LYS 72 2HB LYS 72 -5.829 7.511 -6.617 507 2HB LYS 72 1HB LYS 72 -5.322 9.037 -7.338 508 1HG LYS 72 2HG LYS 72 -7.631 8.928 -7.696 509 2HG LYS 72 1HG LYS 72 -6.915 8.472 -9.244 510 1HD LYS 72 2HD LYS 72 -8.368 6.753 -9.108 511 2HD LYS 72 1HD LYS 72 -7.121 6.049 -8.064 512 1HE LYS 72 2HE LYS 72 -9.088 5.818 -6.831 513 2HE LYS 72 1HE LYS 72 -8.321 7.252 -6.148 514 1HZ LYS 72 1HZ LYS 72 -9.764 8.616 -7.579 515 2HZ LYS 72 2HZ LYS 72 -10.654 7.671 -6.488 516 3HZ LYS 72 3HZ LYS 72 -10.550 7.213 -8.118 517 H CYS 73 H CYS 73 -2.430 6.079 -8.030 518 HA CYS 73 HA CYS 73 -0.912 8.595 -8.266 519 1HB CYS 73 2HB CYS 73 -0.487 7.304 -6.140 520 2HB CYS 73 1HB CYS 73 0.129 5.982 -7.134 521 H GLY 74 H GLY 74 -1.983 6.116 -10.054 522 1HA GLY 74 2HA GLY 74 -1.418 5.273 -12.104 523 2HA GLY 74 1HA GLY 74 -0.228 6.569 -12.214 524 H VAL 75 H VAL 75 -0.597 3.659 -10.174 525 HA VAL 75 HA VAL 75 2.117 2.903 -11.012 526 HB VAL 75 HB VAL 75 1.980 1.668 -8.615 527 1HG1 VAL 75 1HG1 VAL 75 3.827 3.023 -9.464 528 2HG1 VAL 75 2HG1 VAL 75 3.459 3.414 -7.785 529 3HG1 VAL 75 3HG1 VAL 75 2.932 4.490 -9.078 530 1HG2 VAL 75 1HG2 VAL 75 0.544 4.297 -8.240 531 2HG2 VAL 75 2HG2 VAL 75 1.154 3.265 -6.947 532 3HG2 VAL 75 3HG2 VAL 75 -0.144 2.691 -7.995 533 H ASN 76 H ASN 76 -0.827 1.571 -9.527 534 HA ASN 76 HA ASN 76 -1.840 -0.445 -9.658 535 1HB ASN 76 2HB ASN 76 -0.424 -0.457 -12.314 536 2HB ASN 76 1HB ASN 76 -1.376 -1.841 -11.777 537 1HD2 ASN 76 1HD2 ASN 76 -2.829 -1.578 -13.470 538 2HD2 ASN 76 2HD2 ASN 76 -3.997 -0.306 -13.487 539 H ILE 77 H ILE 77 -1.323 -1.919 -8.241 540 HA ILE 77 HA ILE 77 1.459 -2.504 -7.766 541 HB ILE 77 HB ILE 77 0.011 -1.981 -5.895 542 1HG1 ILE 77 2HG1 ILE 77 0.703 -4.897 -5.619 543 2HG1 ILE 77 1HG1 ILE 77 1.941 -3.644 -5.681 544 1HG2 ILE 77 1HG2 ILE 77 -1.745 -3.539 -5.154 545 2HG2 ILE 77 2HG2 ILE 77 -1.514 -4.474 -6.632 546 3HG2 ILE 77 3HG2 ILE 77 -2.100 -2.810 -6.720 547 1HD1 ILE 77 1HD1 ILE 77 0.969 -2.585 -3.716 548 2HD1 ILE 77 2HD1 ILE 77 1.413 -4.262 -3.393 549 3HD1 ILE 77 3HD1 ILE 77 -0.278 -3.832 -3.655 550 HA PRO 78 HA PRO 78 1.587 -6.240 -10.122 551 1HB PRO 78 2HB PRO 78 3.890 -6.965 -8.426 552 2HB PRO 78 1HB PRO 78 3.818 -6.691 -10.171 553 1HG PRO 78 2HG PRO 78 5.007 -4.937 -8.528 554 2HG PRO 78 1HG PRO 78 4.099 -4.406 -9.960 555 1HD PRO 78 2HD PRO 78 3.256 -4.434 -7.081 556 2HD PRO 78 1HD PRO 78 3.009 -3.176 -8.316 557 H TYR 79 H TYR 79 1.862 -6.353 -6.609 558 HA TYR 79 HA TYR 79 0.692 -9.041 -6.666 559 1HB TYR 79 2HB TYR 79 1.432 -9.147 -4.246 560 2HB TYR 79 1HB TYR 79 2.716 -9.144 -5.445 561 HD1 TYR 79 1HD TYR 79 1.286 -7.460 -2.585 562 HD2 TYR 79 2HD TYR 79 4.043 -7.043 -5.796 563 HE1 TYR 79 1HE TYR 79 2.323 -5.552 -1.435 564 HE2 TYR 79 2HE TYR 79 5.093 -5.137 -4.654 565 HH TYR 79 HH TYR 79 4.503 -4.382 -1.408 566 H LYS 80 H LYS 80 -0.483 -9.197 -4.211 567 HA LYS 80 HA LYS 80 -2.834 -7.617 -4.764 568 1HB LYS 80 2HB LYS 80 -2.384 -9.655 -2.581 569 2HB LYS 80 1HB LYS 80 -3.925 -8.932 -3.014 570 1HG LYS 80 2HG LYS 80 -4.137 -10.862 -4.154 571 2HG LYS 80 1HG LYS 80 -3.268 -9.946 -5.388 572 1HD LYS 80 2HD LYS 80 -1.177 -10.927 -4.708 573 2HD LYS 80 1HD LYS 80 -1.959 -11.739 -3.350 574 1HE LYS 80 2HE LYS 80 -2.423 -12.246 -6.285 575 2HE LYS 80 1HE LYS 80 -1.626 -13.321 -5.137 576 1HZ LYS 80 1HZ LYS 80 -4.495 -12.576 -5.235 577 2HZ LYS 80 2HZ LYS 80 -3.798 -13.330 -3.890 578 3HZ LYS 80 3HZ LYS 80 -3.811 -14.121 -5.389 579 H ILE 81 H ILE 81 -3.999 -6.485 -3.120 580 HA ILE 81 HA ILE 81 -2.272 -5.232 -1.108 581 HB ILE 81 HB ILE 81 -4.308 -3.583 -1.001 582 1HG1 ILE 81 2HG1 ILE 81 -5.264 -3.271 -3.345 583 2HG1 ILE 81 1HG1 ILE 81 -4.667 -4.885 -3.708 584 1HG2 ILE 81 1HG2 ILE 81 -2.372 -3.580 -3.310 585 2HG2 ILE 81 2HG2 ILE 81 -2.054 -2.980 -1.682 586 3HG2 ILE 81 3HG2 ILE 81 -3.254 -2.181 -2.699 587 1HD1 ILE 81 1HD1 ILE 81 -6.096 -5.804 -1.953 588 2HD1 ILE 81 2HD1 ILE 81 -7.029 -4.916 -3.159 589 3HD1 ILE 81 3HD1 ILE 81 -6.687 -4.182 -1.591 590 H SER 82 H SER 82 -3.456 -7.846 -0.838 591 HA SER 82 HA SER 82 -5.522 -7.382 1.204 592 1HB SER 82 2HB SER 82 -6.281 -8.704 -0.746 593 2HB SER 82 1HB SER 82 -4.996 -9.876 -0.443 594 HG SER 82 HG SER 82 -7.425 -9.841 0.584 595 H THR 83 H THR 83 -5.541 -9.541 2.662 596 HA THR 83 HA THR 83 -3.043 -9.468 4.108 597 HB THR 83 HB THR 83 -4.293 -11.012 5.680 598 HG1 THR 83 1HG THR 83 -6.334 -11.562 5.224 599 1HG2 THR 83 1HG2 THR 83 -4.210 -8.601 6.062 600 2HG2 THR 83 2HG2 THR 83 -5.791 -9.244 6.509 601 3HG2 THR 83 3HG2 THR 83 -5.590 -8.373 4.988 602 H SER 84 H SER 84 -4.677 -11.566 1.897 603 HA SER 84 HA SER 84 -2.991 -13.852 2.551 604 1HB SER 84 2HB SER 84 -5.190 -13.575 0.490 605 2HB SER 84 1HB SER 84 -4.427 -15.082 1.006 606 HG SER 84 HG SER 84 -5.264 -13.850 3.192 607 H THR 85 H THR 85 -1.987 -11.336 1.270 608 HA THR 85 HA THR 85 -1.465 -11.784 -1.468 609 HB THR 85 HB THR 85 0.030 -10.051 0.512 610 HG1 THR 85 1HG THR 85 -1.747 -8.914 0.410 611 1HG2 THR 85 1HG2 THR 85 -0.066 -9.895 -2.506 612 2HG2 THR 85 2HG2 THR 85 1.313 -10.447 -1.556 613 3HG2 THR 85 3HG2 THR 85 0.770 -8.774 -1.429 614 H ASN 86 H ASN 86 0.342 -12.526 -2.523 615 HA ASN 86 HA ASN 86 1.853 -14.601 -1.234 616 1HB ASN 86 2HB ASN 86 2.840 -14.923 -3.484 617 2HB ASN 86 1HB ASN 86 1.079 -14.876 -3.538 618 1HD2 ASN 86 1HD2 ASN 86 3.134 -14.314 -5.614 619 2HD2 ASN 86 2HD2 ASN 86 2.769 -12.711 -6.192 620 H CYS 87 H CYS 87 2.470 -12.273 0.058 621 HA CYS 87 HA CYS 87 4.446 -10.626 -0.983 622 1HB CYS 87 2HB CYS 87 3.308 -9.889 0.945 623 2HB CYS 87 1HB CYS 87 3.707 -11.355 1.841 624 H ASN 88 H ASN 88 4.803 -13.724 0.691 625 HA ASN 88 HA ASN 88 7.615 -13.427 1.107 626 1HB ASN 88 2HB ASN 88 6.200 -14.884 2.519 627 2HB ASN 88 1HB ASN 88 5.933 -15.945 1.140 628 1HD2 ASN 88 1HD2 ASN 88 8.279 -14.784 3.460 629 2HD2 ASN 88 2HD2 ASN 88 9.414 -16.078 3.245 630 H SER 89 H SER 89 5.918 -13.825 -1.686 631 HA SER 89 HA SER 89 8.226 -15.115 -2.971 632 1HB SER 89 2HB SER 89 6.146 -16.529 -3.035 633 2HB SER 89 1HB SER 89 5.368 -15.248 -3.964 634 HG SER 89 HG SER 89 6.199 -16.257 -5.617 635 H ILE 90 H ILE 90 5.370 -13.386 -4.133 636 HA ILE 90 HA ILE 90 5.184 -11.904 -5.865 637 HB ILE 90 HB ILE 90 5.939 -9.634 -5.221 638 1HG1 ILE 90 2HG1 ILE 90 7.143 -11.018 -2.805 639 2HG1 ILE 90 1HG1 ILE 90 8.065 -10.256 -4.103 640 1HG2 ILE 90 1HG2 ILE 90 4.622 -11.252 -3.056 641 2HG2 ILE 90 2HG2 ILE 90 3.829 -10.503 -4.442 642 3HG2 ILE 90 3HG2 ILE 90 4.568 -9.495 -3.197 643 1HD1 ILE 90 1HD1 ILE 90 7.945 -8.814 -2.160 644 2HD1 ILE 90 2HD1 ILE 90 6.181 -8.863 -2.210 645 3HD1 ILE 90 3HD1 ILE 90 7.080 -8.096 -3.519 646 H ASN 91 H ASN 91 7.506 -9.768 -5.914 647 HA ASN 91 HA ASN 91 9.734 -10.936 -7.121 648 1HB ASN 91 2HB ASN 91 8.205 -11.581 -8.929 649 2HB ASN 91 1HB ASN 91 7.650 -9.911 -9.074 650 1HD2 ASN 91 1HD2 ASN 91 10.324 -12.094 -9.579 651 2HD2 ASN 91 2HD2 ASN 91 11.183 -11.095 -10.699 Start of MODEL 6 1 1H MET 1 1HT MET 1 13.782 -1.569 5.407 2 2H MET 1 2HT MET 1 13.449 0.093 5.473 3 3H MET 1 3HT MET 1 13.343 -0.736 3.995 4 HA MET 1 HA MET 1 11.156 -0.284 4.919 5 1HB MET 1 2HB MET 1 11.203 -2.172 3.519 6 2HB MET 1 1HB MET 1 12.116 -3.127 4.686 7 1HG MET 1 2HG MET 1 9.850 -3.917 4.603 8 2HG MET 1 1HG MET 1 10.154 -3.156 6.166 9 1HE MET 1 1HE MET 1 7.687 -2.896 6.825 10 2HE MET 1 2HE MET 1 7.263 -3.800 5.368 11 3HE MET 1 3HE MET 1 6.433 -2.290 5.741 12 H THR 2 H THR 2 10.058 0.142 6.554 13 HA THR 2 HA THR 2 9.959 -1.783 8.733 14 HB THR 2 HB THR 2 11.274 0.044 9.691 15 HG1 THR 2 1HG THR 2 9.779 -0.830 11.112 16 1HG2 THR 2 1HG2 THR 2 9.016 1.837 8.795 17 2HG2 THR 2 2HG2 THR 2 10.672 1.851 8.189 18 3HG2 THR 2 3HG2 THR 2 10.338 2.326 9.855 19 H CYS 3 H CYS 3 7.756 -1.667 9.776 20 HA CYS 3 HA CYS 3 5.779 -1.308 7.750 21 1HB CYS 3 2HB CYS 3 5.727 -2.923 9.763 22 2HB CYS 3 1HB CYS 3 5.136 -1.540 10.685 23 H GLY 4 H GLY 4 7.466 0.948 9.202 24 1HA GLY 4 2HA GLY 4 5.276 2.891 9.495 25 2HA GLY 4 1HA GLY 4 6.968 3.161 9.916 26 H GLN 5 H GLN 5 7.721 1.768 7.374 27 HA GLN 5 HA GLN 5 7.818 4.050 5.658 28 1HB GLN 5 2HB GLN 5 9.666 2.496 5.675 29 2HB GLN 5 1HB GLN 5 8.601 1.161 5.257 30 1HG GLN 5 2HG GLN 5 8.192 2.163 3.073 31 2HG GLN 5 1HG GLN 5 9.242 3.517 3.492 32 1HE2 GLN 5 1HE2 GLN 5 9.427 1.491 1.353 33 2HE2 GLN 5 2HE2 GLN 5 10.985 0.742 1.546 34 H VAL 6 H VAL 6 6.208 0.893 5.588 35 HA VAL 6 HA VAL 6 4.667 1.492 3.256 36 HB VAL 6 HB VAL 6 5.188 -0.849 4.113 37 1HG1 VAL 6 1HG1 VAL 6 2.963 -0.189 6.029 38 2HG1 VAL 6 2HG1 VAL 6 4.617 -0.659 6.429 39 3HG1 VAL 6 3HG1 VAL 6 3.524 -1.822 5.674 40 1HG2 VAL 6 1HG2 VAL 6 3.612 -0.473 2.320 41 2HG2 VAL 6 2HG2 VAL 6 2.323 -0.174 3.486 42 3HG2 VAL 6 3HG2 VAL 6 3.051 -1.778 3.368 43 H GLN 7 H GLN 7 4.362 2.167 6.625 44 HA GLN 7 HA GLN 7 1.583 2.573 6.781 45 1HB GLN 7 2HB GLN 7 3.028 2.411 8.765 46 2HB GLN 7 1HB GLN 7 3.789 3.939 8.332 47 1HG GLN 7 2HG GLN 7 1.777 5.144 8.736 48 2HG GLN 7 1HG GLN 7 0.853 3.652 8.916 49 1HE2 GLN 7 1HE2 GLN 7 1.008 2.474 10.798 50 2HE2 GLN 7 2HE2 GLN 7 1.715 3.121 12.245 51 H GLY 8 H GLY 8 4.231 4.588 5.670 52 1HA GLY 8 2HA GLY 8 2.861 7.031 5.443 53 2HA GLY 8 1HA GLY 8 4.242 6.546 4.469 54 H ASN 9 H ASN 9 2.845 4.185 3.427 55 HA ASN 9 HA ASN 9 1.665 5.271 1.111 56 1HB ASN 9 2HB ASN 9 2.662 3.077 1.047 57 2HB ASN 9 1HB ASN 9 1.593 2.489 2.310 58 1HD2 ASN 9 1HD2 ASN 9 1.973 3.130 -1.035 59 2HD2 ASN 9 2HD2 ASN 9 0.460 2.466 -1.555 60 H LEU 10 H LEU 10 0.248 3.717 3.969 61 HA LEU 10 HA LEU 10 -2.439 4.175 3.058 62 1HB LEU 10 2HB LEU 10 -1.331 3.148 5.669 63 2HB LEU 10 1HB LEU 10 -3.046 3.347 5.372 64 HG LEU 10 HG LEU 10 -2.587 1.057 5.049 65 1HD1 LEU 10 1HD1 LEU 10 -4.060 1.943 3.364 66 2HD1 LEU 10 2HD1 LEU 10 -3.040 0.686 2.661 67 3HD1 LEU 10 3HD1 LEU 10 -2.687 2.387 2.351 68 1HD2 LEU 10 1HD2 LEU 10 -0.283 1.869 3.286 69 2HD2 LEU 10 2HD2 LEU 10 -0.841 0.215 3.540 70 3HD2 LEU 10 3HD2 LEU 10 -0.176 1.139 4.888 71 H ALA 11 H ALA 11 -0.210 5.718 5.286 72 HA ALA 11 HA ALA 11 -1.973 7.088 6.918 73 1HB ALA 11 1HB ALA 11 -0.135 8.581 7.451 74 2HB ALA 11 2HB ALA 11 0.749 8.020 6.032 75 3HB ALA 11 3HB ALA 11 0.419 6.907 7.359 76 H GLN 12 H GLN 12 -0.705 8.110 3.763 77 HA GLN 12 HA GLN 12 -1.995 10.707 4.066 78 1HB GLN 12 2HB GLN 12 -0.724 9.852 1.509 79 2HB GLN 12 1HB GLN 12 -0.701 11.425 2.292 80 1HG GLN 12 2HG GLN 12 0.803 10.410 4.022 81 2HG GLN 12 1HG GLN 12 0.912 8.992 2.999 82 1HE2 GLN 12 1HE2 GLN 12 0.791 12.320 1.890 83 2HE2 GLN 12 2HE2 GLN 12 2.397 12.351 1.239 84 H CYS 13 H CYS 13 -2.941 7.723 3.122 85 HA CYS 13 HA CYS 13 -5.049 8.850 1.419 86 1HB CYS 13 2HB CYS 13 -3.617 6.264 1.392 87 2HB CYS 13 1HB CYS 13 -5.335 6.233 0.997 88 H ILE 14 H ILE 14 -4.470 8.136 4.476 89 HA ILE 14 HA ILE 14 -6.475 6.414 5.341 90 HB ILE 14 HB ILE 14 -5.144 8.772 6.663 91 1HG1 ILE 14 2HG1 ILE 14 -5.180 5.804 7.273 92 2HG1 ILE 14 1HG1 ILE 14 -3.907 6.652 6.386 93 1HG2 ILE 14 1HG2 ILE 14 -6.259 8.205 8.775 94 2HG2 ILE 14 2HG2 ILE 14 -7.296 7.069 7.912 95 3HG2 ILE 14 3HG2 ILE 14 -7.397 8.794 7.562 96 1HD1 ILE 14 1HD1 ILE 14 -4.670 7.099 9.264 97 2HD1 ILE 14 2HD1 ILE 14 -3.413 7.970 8.387 98 3HD1 ILE 14 3HD1 ILE 14 -3.248 6.239 8.677 99 H GLY 15 H GLY 15 -6.664 9.810 4.397 100 1HA GLY 15 2HA GLY 15 -9.306 10.384 5.142 101 2HA GLY 15 1HA GLY 15 -8.512 11.008 3.714 102 H PHE 16 H PHE 16 -8.333 9.386 1.898 103 HA PHE 16 HA PHE 16 -10.878 8.674 0.971 104 1HB PHE 16 2HB PHE 16 -9.211 9.080 -0.633 105 2HB PHE 16 1HB PHE 16 -8.068 7.999 0.164 106 HD1 PHE 16 1HD PHE 16 -11.084 8.162 -1.950 107 HD2 PHE 16 2HD PHE 16 -8.015 5.680 -0.362 108 HE1 PHE 16 1HE PHE 16 -11.746 6.369 -3.490 109 HE2 PHE 16 2HE PHE 16 -8.671 3.880 -1.907 110 HZ PHE 16 HZ PHE 16 -10.521 4.222 -3.472 111 H LEU 17 H LEU 17 -8.392 6.874 2.602 112 HA LEU 17 HA LEU 17 -9.297 4.260 2.442 113 1HB LEU 17 2HB LEU 17 -7.496 5.879 4.006 114 2HB LEU 17 1HB LEU 17 -8.316 4.735 5.063 115 HG LEU 17 HG LEU 17 -7.183 2.961 4.229 116 1HD1 LEU 17 1HD1 LEU 17 -8.066 3.066 1.952 117 2HD1 LEU 17 2HD1 LEU 17 -6.326 2.785 1.910 118 3HD1 LEU 17 3HD1 LEU 17 -6.963 4.393 1.570 119 1HD2 LEU 17 1HD2 LEU 17 -4.882 3.575 3.629 120 2HD2 LEU 17 2HD2 LEU 17 -5.494 4.483 5.013 121 3HD2 LEU 17 3HD2 LEU 17 -5.403 5.248 3.427 122 H GLN 18 H GLN 18 -10.173 6.824 4.763 123 HA GLN 18 HA GLN 18 -12.120 5.094 6.062 124 1HB GLN 18 2HB GLN 18 -11.368 7.987 6.507 125 2HB GLN 18 1HB GLN 18 -12.580 7.132 7.450 126 1HG GLN 18 2HG GLN 18 -10.834 5.506 8.083 127 2HG GLN 18 1HG GLN 18 -9.653 6.527 7.270 128 1HE2 GLN 18 1HE2 GLN 18 -12.346 7.917 8.968 129 2HE2 GLN 18 2HE2 GLN 18 -11.441 8.541 10.303 130 H LYS 19 H LYS 19 -12.178 8.281 4.566 131 HA LYS 19 HA LYS 19 -15.014 8.497 4.550 132 1HB LYS 19 2HB LYS 19 -13.444 10.412 4.557 133 2HB LYS 19 1HB LYS 19 -13.027 10.033 2.890 134 1HG LYS 19 2HG LYS 19 -15.390 10.372 2.260 135 2HG LYS 19 1HG LYS 19 -15.728 10.859 3.923 136 1HD LYS 19 2HD LYS 19 -13.784 12.192 2.059 137 2HD LYS 19 1HD LYS 19 -15.395 12.785 2.456 138 1HE LYS 19 2HE LYS 19 -13.135 12.384 4.409 139 2HE LYS 19 1HE LYS 19 -13.644 13.932 3.738 140 1HZ LYS 19 1HZ LYS 19 -15.343 12.150 5.410 141 2HZ LYS 19 2HZ LYS 19 -15.780 13.676 4.805 142 3HZ LYS 19 3HZ LYS 19 -14.544 13.544 5.957 143 H GLY 20 H GLY 20 -12.716 7.340 2.159 144 1HA GLY 20 2HA GLY 20 -13.118 6.223 0.166 145 2HA GLY 20 1HA GLY 20 -14.849 6.375 0.471 146 H GLY 21 H GLY 21 -12.507 9.009 0.411 147 1HA GLY 21 2HA GLY 21 -13.584 9.956 -2.133 148 2HA GLY 21 1HA GLY 21 -13.845 10.965 -0.717 149 H VAL 22 H VAL 22 -12.028 10.531 -3.309 150 HA VAL 22 HA VAL 22 -10.285 11.584 -4.194 151 HB VAL 22 HB VAL 22 -9.607 13.696 -3.490 152 1HG1 VAL 22 1HG1 VAL 22 -12.458 13.304 -2.649 153 2HG1 VAL 22 2HG1 VAL 22 -11.862 13.654 -4.274 154 3HG1 VAL 22 3HG1 VAL 22 -11.708 14.861 -2.997 155 1HG2 VAL 22 1HG2 VAL 22 -8.959 13.292 -1.197 156 2HG2 VAL 22 2HG2 VAL 22 -10.648 13.108 -0.726 157 3HG2 VAL 22 3HG2 VAL 22 -10.053 14.673 -1.280 158 H VAL 23 H VAL 23 -8.340 10.927 -4.525 159 HA VAL 23 HA VAL 23 -6.662 10.204 -2.226 160 HB VAL 23 HB VAL 23 -6.379 9.300 -5.098 161 1HG1 VAL 23 1HG1 VAL 23 -4.838 8.552 -2.611 162 2HG1 VAL 23 2HG1 VAL 23 -4.222 9.417 -4.019 163 3HG1 VAL 23 3HG1 VAL 23 -4.707 7.727 -4.167 164 1HG2 VAL 23 1HG2 VAL 23 -8.324 8.319 -3.998 165 2HG2 VAL 23 2HG2 VAL 23 -7.305 7.796 -2.657 166 3HG2 VAL 23 3HG2 VAL 23 -7.069 7.111 -4.266 167 HA PRO 24 HA PRO 24 -4.470 13.876 -3.443 168 1HB PRO 24 2HB PRO 24 -2.686 13.376 -1.210 169 2HB PRO 24 1HB PRO 24 -3.936 14.611 -1.367 170 1HG PRO 24 2HG PRO 24 -4.117 12.528 0.384 171 2HG PRO 24 1HG PRO 24 -5.538 13.303 -0.359 172 1HD PRO 24 2HD PRO 24 -4.145 10.766 -1.144 173 2HD PRO 24 1HD PRO 24 -5.885 11.103 -0.990 174 HA PRO 25 HA PRO 25 -0.935 12.359 -5.733 175 1HB PRO 25 2HB PRO 25 0.110 15.107 -5.363 176 2HB PRO 25 1HB PRO 25 -0.193 14.210 -6.856 177 1HG PRO 25 2HG PRO 25 -1.784 16.214 -6.106 178 2HG PRO 25 1HG PRO 25 -2.435 14.765 -6.894 179 1HD PRO 25 2HD PRO 25 -2.484 15.537 -4.006 180 2HD PRO 25 1HD PRO 25 -3.741 14.750 -4.983 181 H SER 26 H SER 26 -0.889 13.742 -2.646 182 HA SER 26 HA SER 26 1.897 13.550 -2.057 183 1HB SER 26 2HB SER 26 -0.366 13.487 -0.055 184 2HB SER 26 1HB SER 26 1.266 14.122 0.168 185 HG SER 26 HG SER 26 0.609 15.660 -1.594 186 H CYS 27 H CYS 27 -0.987 11.746 -1.092 187 HA CYS 27 HA CYS 27 0.184 9.470 -0.020 188 1HB CYS 27 2HB CYS 27 -2.246 9.875 0.039 189 2HB CYS 27 1HB CYS 27 -2.324 9.673 -1.707 190 H CYS 28 H CYS 28 -0.775 10.211 -3.364 191 HA CYS 28 HA CYS 28 -0.160 7.792 -4.497 192 1HB CYS 28 2HB CYS 28 -0.303 10.548 -5.627 193 2HB CYS 28 1HB CYS 28 0.199 9.193 -6.646 194 H THR 29 H THR 29 1.983 10.530 -3.955 195 HA THR 29 HA THR 29 4.238 9.451 -5.230 196 HB THR 29 HB THR 29 4.055 11.346 -2.881 197 HG1 THR 29 1HG THR 29 3.227 12.394 -4.608 198 1HG2 THR 29 1HG2 THR 29 6.357 11.979 -3.417 199 2HG2 THR 29 2HG2 THR 29 6.418 10.726 -4.656 200 3HG2 THR 29 3HG2 THR 29 6.257 10.279 -2.958 201 H GLY 30 H GLY 30 3.109 9.206 -1.859 202 1HA GLY 30 2HA GLY 30 5.260 7.582 -0.963 203 2HA GLY 30 1HA GLY 30 3.704 7.768 -0.167 204 H VAL 31 H VAL 31 2.101 6.824 -2.348 205 HA VAL 31 HA VAL 31 2.188 4.041 -2.049 206 HB VAL 31 HB VAL 31 1.025 5.636 -4.348 207 1HG1 VAL 31 1HG1 VAL 31 -0.372 3.668 -4.764 208 2HG1 VAL 31 2HG1 VAL 31 0.503 2.788 -3.510 209 3HG1 VAL 31 3HG1 VAL 31 1.342 3.307 -4.971 210 1HG2 VAL 31 1HG2 VAL 31 -1.106 5.371 -3.174 211 2HG2 VAL 31 2HG2 VAL 31 0.066 6.265 -2.205 212 3HG2 VAL 31 3HG2 VAL 31 -0.270 4.571 -1.844 213 H LYS 32 H LYS 32 3.430 6.153 -4.600 214 HA LYS 32 HA LYS 32 4.623 4.068 -6.095 215 1HB LYS 32 2HB LYS 32 5.197 7.032 -6.059 216 2HB LYS 32 1HB LYS 32 5.875 5.903 -7.225 217 1HG LYS 32 2HG LYS 32 3.575 5.325 -7.940 218 2HG LYS 32 1HG LYS 32 2.962 6.561 -6.839 219 1HD LYS 32 2HD LYS 32 3.073 7.472 -9.068 220 2HD LYS 32 1HD LYS 32 4.298 8.251 -8.065 221 1HE LYS 32 2HE LYS 32 6.003 6.777 -8.999 222 2HE LYS 32 1HE LYS 32 4.779 5.972 -9.979 223 1HZ LYS 32 1HZ LYS 32 6.054 7.645 -11.214 224 2HZ LYS 32 2HZ LYS 32 5.480 8.853 -10.177 225 3HZ LYS 32 3HZ LYS 32 4.401 8.005 -11.177 226 H ASN 33 H ASN 33 5.595 5.780 -3.231 227 HA ASN 33 HA ASN 33 8.361 5.166 -3.351 228 1HB ASN 33 2HB ASN 33 6.485 5.858 -1.114 229 2HB ASN 33 1HB ASN 33 8.073 5.207 -0.724 230 1HD2 ASN 33 1HD2 ASN 33 9.914 6.409 -1.236 231 2HD2 ASN 33 2HD2 ASN 33 9.831 8.107 -1.563 232 H ILE 34 H ILE 34 5.633 3.467 -1.832 233 HA ILE 34 HA ILE 34 7.192 1.312 -0.890 234 HB ILE 34 HB ILE 34 4.318 1.961 -1.091 235 1HG1 ILE 34 2HG1 ILE 34 4.383 1.781 1.209 236 2HG1 ILE 34 1HG1 ILE 34 5.633 0.543 1.184 237 1HG2 ILE 34 1HG2 ILE 34 4.264 -0.276 -2.038 238 2HG2 ILE 34 2HG2 ILE 34 3.587 -0.271 -0.409 239 3HG2 ILE 34 3HG2 ILE 34 5.217 -0.886 -0.683 240 1HD1 ILE 34 1HD1 ILE 34 6.044 3.476 0.633 241 2HD1 ILE 34 2HD1 ILE 34 7.306 2.234 0.606 242 3HD1 ILE 34 3HD1 ILE 34 6.467 2.623 2.119 243 H LEU 35 H LEU 35 5.864 1.981 -4.001 244 HA LEU 35 HA LEU 35 6.260 -0.771 -4.866 245 1HB LEU 35 2HB LEU 35 4.960 1.630 -6.050 246 2HB LEU 35 1HB LEU 35 5.571 0.405 -7.141 247 HG LEU 35 HG LEU 35 4.213 -1.232 -5.783 248 1HD1 LEU 35 1HD1 LEU 35 3.772 0.148 -3.839 249 2HD1 LEU 35 2HD1 LEU 35 2.264 -0.334 -4.613 250 3HD1 LEU 35 3HD1 LEU 35 2.890 1.299 -4.845 251 1HD2 LEU 35 1HD2 LEU 35 2.183 -0.729 -7.037 252 2HD2 LEU 35 2HD2 LEU 35 3.634 -0.562 -8.024 253 3HD2 LEU 35 3HD2 LEU 35 2.822 0.872 -7.400 254 H ASN 36 H ASN 36 7.264 2.406 -6.041 255 HA ASN 36 HA ASN 36 9.399 1.204 -7.593 256 1HB ASN 36 2HB ASN 36 8.107 2.954 -8.638 257 2HB ASN 36 1HB ASN 36 8.472 4.067 -7.323 258 1HD2 ASN 36 1HD2 ASN 36 10.414 5.125 -7.295 259 2HD2 ASN 36 2HD2 ASN 36 11.552 5.068 -8.596 260 H SER 37 H SER 37 9.144 3.308 -4.756 261 HA SER 37 HA SER 37 11.993 3.826 -4.771 262 1HB SER 37 2HB SER 37 10.436 5.619 -4.162 263 2HB SER 37 1HB SER 37 9.864 4.667 -2.792 264 HG SER 37 HG SER 37 12.596 4.995 -2.841 265 H SER 38 H SER 38 10.029 1.370 -3.549 266 HA SER 38 HA SER 38 11.386 0.605 -1.218 267 1HB SER 38 2HB SER 38 9.311 -0.465 -2.268 268 2HB SER 38 1HB SER 38 10.427 -1.342 -3.315 269 HG SER 38 HG SER 38 10.881 -1.340 -0.545 270 H ARG 39 H ARG 39 13.535 0.282 -1.015 271 HA ARG 39 HA ARG 39 15.149 0.665 -3.304 272 1HB ARG 39 2HB ARG 39 15.502 1.247 -0.746 273 2HB ARG 39 1HB ARG 39 16.360 -0.292 -0.763 274 1HG ARG 39 2HG ARG 39 17.854 0.501 -2.467 275 2HG ARG 39 1HG ARG 39 16.934 1.999 -2.626 276 1HD ARG 39 2HD ARG 39 18.531 1.075 -0.247 277 2HD ARG 39 1HD ARG 39 18.873 2.448 -1.299 278 HE ARG 39 HE ARG 39 16.356 2.906 -0.244 279 1HH1 ARG 39 1HH1 ARG 39 19.629 2.541 0.945 280 2HH1 ARG 39 2HH1 ARG 39 19.344 3.466 2.392 281 1HH2 ARG 39 1HH2 ARG 39 15.987 4.163 1.625 282 2HH2 ARG 39 2HH2 ARG 39 17.274 4.412 2.770 283 H THR 40 H THR 40 14.495 -2.178 -1.320 284 HA THR 40 HA THR 40 15.972 -3.777 -3.296 285 HB THR 40 HB THR 40 16.759 -5.250 -1.463 286 HG1 THR 40 1HG THR 40 16.137 -3.206 0.393 287 1HG2 THR 40 1HG2 THR 40 17.604 -2.364 -1.155 288 2HG2 THR 40 2HG2 THR 40 18.236 -3.503 -2.346 289 3HG2 THR 40 3HG2 THR 40 18.524 -3.776 -0.627 290 H THR 41 H THR 41 15.415 -6.214 -2.944 291 HA THR 41 HA THR 41 12.602 -6.551 -3.050 292 HB THR 41 HB THR 41 14.691 -8.665 -2.547 293 HG1 THR 41 1HG THR 41 13.734 -7.433 -4.922 294 1HG2 THR 41 1HG2 THR 41 13.035 -10.216 -3.477 295 2HG2 THR 41 2HG2 THR 41 11.894 -8.886 -3.675 296 3HG2 THR 41 3HG2 THR 41 12.387 -9.391 -2.057 297 H ALA 42 H ALA 42 15.046 -7.084 -0.553 298 HA ALA 42 HA ALA 42 13.344 -8.208 1.386 299 1HB ALA 42 1HB ALA 42 15.754 -8.318 1.605 300 2HB ALA 42 2HB ALA 42 15.056 -7.517 3.013 301 3HB ALA 42 3HB ALA 42 15.843 -6.562 1.758 302 H ASP 43 H ASP 43 13.640 -5.039 0.158 303 HA ASP 43 HA ASP 43 12.448 -3.718 2.435 304 1HB ASP 43 2HB ASP 43 14.112 -2.741 0.693 305 2HB ASP 43 1HB ASP 43 12.708 -2.600 -0.353 306 H ARG 44 H ARG 44 11.543 -4.715 -0.838 307 HA ARG 44 HA ARG 44 8.863 -3.725 -0.604 308 1HB ARG 44 2HB ARG 44 10.250 -3.937 -2.741 309 2HB ARG 44 1HB ARG 44 9.855 -5.654 -2.692 310 1HG ARG 44 2HG ARG 44 7.508 -5.170 -2.871 311 2HG ARG 44 1HG ARG 44 7.817 -3.437 -2.741 312 1HD ARG 44 2HD ARG 44 9.213 -3.646 -4.822 313 2HD ARG 44 1HD ARG 44 8.590 -5.288 -4.984 314 HE ARG 44 HE ARG 44 6.362 -3.729 -4.730 315 1HH1 ARG 44 1HH1 ARG 44 9.091 -3.811 -6.904 316 2HH1 ARG 44 2HH1 ARG 44 8.228 -3.086 -8.222 317 1HH2 ARG 44 1HH2 ARG 44 5.203 -2.787 -6.456 318 2HH2 ARG 44 2HH2 ARG 44 6.014 -2.498 -7.976 319 H ARG 45 H ARG 45 10.481 -6.729 -0.122 320 HA ARG 45 HA ARG 45 8.373 -8.552 -0.179 321 1HB ARG 45 2HB ARG 45 10.887 -8.958 0.020 322 2HB ARG 45 1HB ARG 45 10.711 -8.617 1.731 323 1HG ARG 45 2HG ARG 45 9.143 -10.508 1.909 324 2HG ARG 45 1HG ARG 45 9.431 -10.859 0.200 325 1HD ARG 45 2HD ARG 45 11.779 -11.226 0.631 326 2HD ARG 45 1HD ARG 45 11.570 -10.775 2.322 327 HE ARG 45 HE ARG 45 10.047 -12.780 2.442 328 1HH1 ARG 45 1HH1 ARG 45 12.737 -12.576 0.193 329 2HH1 ARG 45 2HH1 ARG 45 12.919 -14.298 0.058 330 1HH2 ARG 45 1HH2 ARG 45 10.299 -15.045 2.289 331 2HH2 ARG 45 2HH2 ARG 45 11.535 -15.706 1.262 332 H ALA 46 H ALA 46 9.812 -6.913 2.615 333 HA ALA 46 HA ALA 46 7.786 -7.744 4.422 334 1HB ALA 46 1HB ALA 46 10.043 -7.225 5.171 335 2HB ALA 46 2HB ALA 46 8.862 -6.203 5.991 336 3HB ALA 46 3HB ALA 46 9.832 -5.546 4.672 337 H VAL 47 H VAL 47 8.291 -4.884 2.425 338 HA VAL 47 HA VAL 47 6.466 -3.218 3.766 339 HB VAL 47 HB VAL 47 8.235 -2.572 1.977 340 1HG1 VAL 47 1HG1 VAL 47 7.238 -3.943 0.167 341 2HG1 VAL 47 2HG1 VAL 47 7.432 -2.240 -0.253 342 3HG1 VAL 47 3HG1 VAL 47 5.841 -2.866 0.178 343 1HG2 VAL 47 1HG2 VAL 47 7.051 -0.505 1.524 344 2HG2 VAL 47 2HG2 VAL 47 6.813 -1.012 3.197 345 3HG2 VAL 47 3HG2 VAL 47 5.531 -1.259 2.008 346 H CYS 48 H CYS 48 6.055 -5.518 1.133 347 HA CYS 48 HA CYS 48 3.337 -4.755 0.663 348 1HB CYS 48 2HB CYS 48 4.654 -5.648 -1.150 349 2HB CYS 48 1HB CYS 48 4.981 -7.119 -0.246 350 H SER 49 H SER 49 5.001 -7.241 2.514 351 HA SER 49 HA SER 49 2.749 -8.763 3.227 352 1HB SER 49 2HB SER 49 5.097 -9.512 3.546 353 2HB SER 49 1HB SER 49 5.285 -8.322 4.833 354 HG SER 49 HG SER 49 3.802 -9.424 6.071 355 H CYS 50 H CYS 50 4.281 -5.965 4.870 356 HA CYS 50 HA CYS 50 2.277 -5.956 6.934 357 1HB CYS 50 2HB CYS 50 4.768 -4.803 6.702 358 2HB CYS 50 1HB CYS 50 3.691 -3.420 6.501 359 H LEU 51 H LEU 51 2.649 -4.578 3.797 360 HA LEU 51 HA LEU 51 0.729 -2.559 3.799 361 1HB LEU 51 2HB LEU 51 2.223 -2.886 1.943 362 2HB LEU 51 1HB LEU 51 1.600 -4.496 1.656 363 HG LEU 51 HG LEU 51 -0.640 -3.292 1.199 364 1HD1 LEU 51 1HD1 LEU 51 1.299 -1.032 0.765 365 2HD1 LEU 51 2HD1 LEU 51 0.030 -1.093 1.990 366 3HD1 LEU 51 3HD1 LEU 51 -0.396 -1.051 0.277 367 1HD2 LEU 51 1HD2 LEU 51 0.660 -4.508 -0.463 368 2HD2 LEU 51 2HD2 LEU 51 1.691 -3.096 -0.704 369 3HD2 LEU 51 3HD2 LEU 51 -0.014 -3.030 -1.153 370 H LYS 52 H LYS 52 0.363 -5.987 2.894 371 HA LYS 52 HA LYS 52 -2.442 -5.843 2.575 372 1HB LYS 52 2HB LYS 52 -2.398 -8.235 2.381 373 2HB LYS 52 1HB LYS 52 -0.974 -7.599 1.571 374 1HG LYS 52 2HG LYS 52 0.439 -8.265 3.367 375 2HG LYS 52 1HG LYS 52 -0.950 -8.687 4.371 376 1HD LYS 52 2HD LYS 52 -1.560 -10.424 2.723 377 2HD LYS 52 1HD LYS 52 -0.090 -10.042 1.822 378 1HE LYS 52 2HE LYS 52 1.290 -10.740 3.633 379 2HE LYS 52 1HE LYS 52 -0.097 -10.876 4.712 380 1HZ LYS 52 1HZ LYS 52 0.417 -12.553 2.320 381 2HZ LYS 52 2HZ LYS 52 -0.940 -12.667 3.321 382 3HZ LYS 52 3HZ LYS 52 0.592 -13.040 3.935 383 H ALA 53 H ALA 53 -0.367 -6.465 5.324 384 HA ALA 53 HA ALA 53 -2.353 -7.486 7.057 385 1HB ALA 53 1HB ALA 53 -0.838 -6.891 8.886 386 2HB ALA 53 2HB ALA 53 0.178 -6.001 7.750 387 3HB ALA 53 3HB ALA 53 0.000 -7.748 7.590 388 H ALA 54 H ALA 54 -1.231 -4.220 6.330 389 HA ALA 54 HA ALA 54 -2.569 -2.849 8.359 390 1HB ALA 54 1HB ALA 54 -1.964 -1.874 5.571 391 2HB ALA 54 2HB ALA 54 -0.855 -1.830 6.940 392 3HB ALA 54 3HB ALA 54 -2.330 -0.865 6.971 393 H ALA 55 H ALA 55 -3.698 -3.975 5.222 394 HA ALA 55 HA ALA 55 -6.167 -2.605 5.205 395 1HB ALA 55 1HB ALA 55 -5.460 -5.215 3.873 396 2HB ALA 55 2HB ALA 55 -5.168 -3.610 3.207 397 3HB ALA 55 3HB ALA 55 -6.820 -4.170 3.465 398 H GLY 56 H GLY 56 -5.128 -5.625 6.644 399 1HA GLY 56 2HA GLY 56 -7.865 -6.190 7.536 400 2HA GLY 56 1HA GLY 56 -6.491 -7.285 7.654 401 H ALA 57 H ALA 57 -5.180 -4.542 8.606 402 HA ALA 57 HA ALA 57 -5.487 -5.183 11.416 403 1HB ALA 57 1HB ALA 57 -3.700 -3.169 10.063 404 2HB ALA 57 2HB ALA 57 -3.248 -4.816 10.504 405 3HB ALA 57 3HB ALA 57 -3.634 -3.641 11.762 406 H VAL 58 H VAL 58 -5.688 -2.304 9.350 407 HA VAL 58 HA VAL 58 -6.936 -0.746 11.449 408 HB VAL 58 HB VAL 58 -6.317 -0.004 8.588 409 1HG1 VAL 58 1HG1 VAL 58 -6.578 2.290 9.260 410 2HG1 VAL 58 2HG1 VAL 58 -6.891 1.803 10.932 411 3HG1 VAL 58 3HG1 VAL 58 -8.049 1.400 9.662 412 1HG2 VAL 58 1HG2 VAL 58 -4.287 -0.583 9.758 413 2HG2 VAL 58 2HG2 VAL 58 -4.734 0.454 11.111 414 3HG2 VAL 58 3HG2 VAL 58 -4.363 1.166 9.542 415 H ARG 59 H ARG 59 -9.029 -0.942 11.823 416 HA ARG 59 HA ARG 59 -10.797 -2.102 9.896 417 1HB ARG 59 2HB ARG 59 -12.556 -1.699 11.636 418 2HB ARG 59 1HB ARG 59 -11.191 -2.653 12.192 419 1HG ARG 59 2HG ARG 59 -10.253 -0.708 13.305 420 2HG ARG 59 1HG ARG 59 -11.577 0.290 12.701 421 1HD ARG 59 2HD ARG 59 -11.889 -0.422 15.048 422 2HD ARG 59 1HD ARG 59 -13.179 -0.967 13.981 423 HE ARG 59 HE ARG 59 -11.876 -3.152 13.954 424 1HH1 ARG 59 1HH1 ARG 59 -11.776 -0.952 16.684 425 2HH1 ARG 59 2HH1 ARG 59 -11.588 -2.229 17.854 426 1HH2 ARG 59 1HH2 ARG 59 -11.621 -4.812 15.493 427 2HH2 ARG 59 2HH2 ARG 59 -11.501 -4.407 17.183 428 H GLY 60 H GLY 60 -9.646 0.907 10.354 429 1HA GLY 60 2HA GLY 60 -11.973 2.186 9.069 430 2HA GLY 60 1HA GLY 60 -10.737 3.049 9.981 431 H ILE 61 H ILE 61 -9.296 0.657 8.168 432 HA ILE 61 HA ILE 61 -8.285 2.634 6.319 433 HB ILE 61 HB ILE 61 -7.084 0.506 7.581 434 1HG1 ILE 61 2HG1 ILE 61 -5.134 0.998 6.126 435 2HG1 ILE 61 1HG1 ILE 61 -6.191 1.944 5.082 436 1HG2 ILE 61 1HG2 ILE 61 -8.098 -1.139 6.113 437 2HG2 ILE 61 2HG2 ILE 61 -6.360 -1.059 5.831 438 3HG2 ILE 61 3HG2 ILE 61 -7.472 -0.293 4.697 439 1HD1 ILE 61 1HD1 ILE 61 -5.555 2.511 7.965 440 2HD1 ILE 61 2HD1 ILE 61 -6.679 3.434 6.968 441 3HD1 ILE 61 3HD1 ILE 61 -4.963 3.396 6.558 442 H ASN 62 H ASN 62 -10.378 0.038 6.456 443 HA ASN 62 HA ASN 62 -11.731 -1.070 4.997 444 1HB ASN 62 2HB ASN 62 -11.487 1.614 3.644 445 2HB ASN 62 1HB ASN 62 -12.506 0.327 3.002 446 1HD2 ASN 62 1HD2 ASN 62 -12.982 3.044 4.276 447 2HD2 ASN 62 2HD2 ASN 62 -14.206 2.727 5.464 448 HA PRO 63 HA PRO 63 -8.245 -3.028 2.845 449 1HB PRO 63 2HB PRO 63 -10.460 -4.819 2.060 450 2HB PRO 63 1HB PRO 63 -8.904 -5.201 2.802 451 1HG PRO 63 2HG PRO 63 -11.331 -5.123 4.121 452 2HG PRO 63 1HG PRO 63 -9.743 -5.034 4.892 453 1HD PRO 63 2HD PRO 63 -11.762 -2.990 4.663 454 2HD PRO 63 1HD PRO 63 -10.227 -2.935 5.544 455 H ASN 64 H ASN 64 -11.479 -2.646 1.402 456 HA ASN 64 HA ASN 64 -10.674 -3.001 -1.274 457 1HB ASN 64 2HB ASN 64 -13.054 -1.573 -0.084 458 2HB ASN 64 1HB ASN 64 -12.815 -1.724 -1.819 459 1HD2 ASN 64 1HD2 ASN 64 -14.693 -2.927 -2.053 460 2HD2 ASN 64 2HD2 ASN 64 -14.784 -4.592 -1.556 461 H ASN 65 H ASN 65 -10.693 -0.156 0.781 462 HA ASN 65 HA ASN 65 -10.122 1.651 -1.383 463 1HB ASN 65 2HB ASN 65 -10.002 2.058 1.604 464 2HB ASN 65 1HB ASN 65 -9.781 3.319 0.397 465 1HD2 ASN 65 1HD2 ASN 65 -11.752 3.239 2.455 466 2HD2 ASN 65 2HD2 ASN 65 -13.301 3.221 1.680 467 H ALA 66 H ALA 66 -8.368 -0.125 1.057 468 HA ALA 66 HA ALA 66 -5.864 1.115 0.780 469 1HB ALA 66 1HB ALA 66 -6.416 -0.380 2.637 470 2HB ALA 66 2HB ALA 66 -4.945 -0.892 1.811 471 3HB ALA 66 3HB ALA 66 -6.460 -1.748 1.524 472 H GLU 67 H GLU 67 -7.318 -1.629 -0.965 473 HA GLU 67 HA GLU 67 -4.959 -1.762 -2.664 474 1HB GLU 67 2HB GLU 67 -6.132 -3.695 -3.740 475 2HB GLU 67 1HB GLU 67 -5.772 -3.901 -2.036 476 1HG GLU 67 2HG GLU 67 -8.086 -3.392 -1.477 477 2HG GLU 67 1HG GLU 67 -8.451 -3.172 -3.193 478 H ALA 68 H ALA 68 -7.374 0.268 -2.553 479 HA ALA 68 HA ALA 68 -7.879 0.374 -5.435 480 1HB ALA 68 1HB ALA 68 -9.007 2.033 -3.178 481 2HB ALA 68 2HB ALA 68 -9.810 0.690 -3.992 482 3HB ALA 68 3HB ALA 68 -9.462 2.175 -4.878 483 H LEU 69 H LEU 69 -5.786 1.598 -3.087 484 HA LEU 69 HA LEU 69 -5.296 4.202 -3.982 485 1HB LEU 69 2HB LEU 69 -3.278 2.326 -2.756 486 2HB LEU 69 1HB LEU 69 -3.199 4.077 -2.786 487 HG LEU 69 HG LEU 69 -5.154 2.379 -1.243 488 1HD1 LEU 69 1HD1 LEU 69 -3.001 4.292 -0.350 489 2HD1 LEU 69 2HD1 LEU 69 -2.920 2.531 -0.274 490 3HD1 LEU 69 3HD1 LEU 69 -4.103 3.402 0.701 491 1HD2 LEU 69 1HD2 LEU 69 -5.011 5.384 -1.460 492 2HD2 LEU 69 2HD2 LEU 69 -6.077 4.467 -0.394 493 3HD2 LEU 69 3HD2 LEU 69 -6.272 4.358 -2.143 494 HA PRO 70 HA PRO 70 -1.674 2.223 -6.710 495 1HB PRO 70 2HB PRO 70 -2.532 -0.246 -7.700 496 2HB PRO 70 1HB PRO 70 -1.285 0.002 -6.473 497 1HG PRO 70 2HG PRO 70 -4.168 -0.684 -6.137 498 2HG PRO 70 1HG PRO 70 -2.762 -1.252 -5.217 499 1HD PRO 70 2HD PRO 70 -4.402 0.592 -4.209 500 2HD PRO 70 1HD PRO 70 -2.648 0.698 -3.952 501 H GLY 71 H GLY 71 -5.115 1.609 -7.132 502 1HA GLY 71 2HA GLY 71 -5.070 1.793 -9.991 503 2HA GLY 71 1HA GLY 71 -6.500 1.801 -8.968 504 H LYS 72 H LYS 72 -5.298 4.107 -7.413 505 HA LYS 72 HA LYS 72 -6.183 6.177 -9.285 506 1HB LYS 72 2HB LYS 72 -6.216 5.900 -6.325 507 2HB LYS 72 1HB LYS 72 -6.064 7.522 -6.981 508 1HG LYS 72 2HG LYS 72 -8.361 7.094 -6.570 509 2HG LYS 72 1HG LYS 72 -8.113 7.106 -8.317 510 1HD LYS 72 2HD LYS 72 -9.125 5.130 -8.380 511 2HD LYS 72 1HD LYS 72 -7.718 4.459 -7.542 512 1HE LYS 72 2HE LYS 72 -8.735 4.672 -5.440 513 2HE LYS 72 1HE LYS 72 -9.982 5.758 -6.061 514 1HZ LYS 72 1HZ LYS 72 -10.869 3.548 -5.684 515 2HZ LYS 72 2HZ LYS 72 -9.705 2.872 -6.714 516 3HZ LYS 72 3HZ LYS 72 -10.887 3.909 -7.341 517 H CYS 73 H CYS 73 -3.296 4.925 -8.234 518 HA CYS 73 HA CYS 73 -1.993 7.555 -8.441 519 1HB CYS 73 2HB CYS 73 -1.187 5.203 -6.731 520 2HB CYS 73 1HB CYS 73 -0.220 6.668 -6.932 521 H GLY 74 H GLY 74 -2.499 5.071 -10.329 522 1HA GLY 74 2HA GLY 74 -1.550 4.696 -12.388 523 2HA GLY 74 1HA GLY 74 -0.282 5.836 -11.961 524 H VAL 75 H VAL 75 -0.947 3.052 -9.953 525 HA VAL 75 HA VAL 75 1.424 1.739 -11.077 526 HB VAL 75 HB VAL 75 1.955 1.039 -8.648 527 1HG1 VAL 75 1HG1 VAL 75 3.370 2.480 -10.040 528 2HG1 VAL 75 2HG1 VAL 75 3.394 2.965 -8.345 529 3HG1 VAL 75 3HG1 VAL 75 2.445 3.889 -9.513 530 1HG2 VAL 75 1HG2 VAL 75 1.368 2.678 -6.942 531 2HG2 VAL 75 2HG2 VAL 75 -0.076 1.922 -7.616 532 3HG2 VAL 75 3HG2 VAL 75 0.377 3.556 -8.109 533 H ASN 76 H ASN 76 -0.103 0.388 -12.146 534 HA ASN 76 HA ASN 76 -1.707 -1.414 -10.548 535 1HB ASN 76 2HB ASN 76 -1.220 -1.147 -13.510 536 2HB ASN 76 1HB ASN 76 -2.075 -2.536 -12.838 537 1HD2 ASN 76 1HD2 ASN 76 -3.966 -2.083 -13.834 538 2HD2 ASN 76 2HD2 ASN 76 -4.973 -0.743 -13.413 539 H ILE 77 H ILE 77 -0.181 -2.543 -9.310 540 HA ILE 77 HA ILE 77 1.536 -4.363 -10.822 541 HB ILE 77 HB ILE 77 1.953 -5.129 -8.241 542 1HG1 ILE 77 2HG1 ILE 77 2.407 -3.086 -6.947 543 2HG1 ILE 77 1HG1 ILE 77 1.635 -2.119 -8.199 544 1HG2 ILE 77 1HG2 ILE 77 3.653 -4.777 -9.906 545 2HG2 ILE 77 2HG2 ILE 77 4.074 -3.894 -8.439 546 3HG2 ILE 77 3HG2 ILE 77 3.416 -3.032 -9.829 547 1HD1 ILE 77 1HD1 ILE 77 0.318 -4.147 -6.408 548 2HD1 ILE 77 2HD1 ILE 77 -0.492 -3.256 -7.697 549 3HD1 ILE 77 3HD1 ILE 77 0.181 -2.390 -6.314 550 HA PRO 78 HA PRO 78 -1.165 -7.793 -10.547 551 1HB PRO 78 2HB PRO 78 1.134 -9.565 -10.069 552 2HB PRO 78 1HB PRO 78 0.043 -9.486 -11.459 553 1HG PRO 78 2HG PRO 78 2.596 -8.656 -11.615 554 2HG PRO 78 1HG PRO 78 1.288 -7.859 -12.516 555 1HD PRO 78 2HD PRO 78 2.621 -7.013 -9.963 556 2HD PRO 78 1HD PRO 78 2.155 -6.030 -11.373 557 H TYR 79 H TYR 79 1.021 -7.127 -7.929 558 HA TYR 79 HA TYR 79 -0.249 -9.113 -6.243 559 1HB TYR 79 2HB TYR 79 1.226 -8.407 -4.463 560 2HB TYR 79 1HB TYR 79 2.151 -8.698 -5.921 561 HD1 TYR 79 1HD TYR 79 0.663 -5.912 -3.892 562 HD2 TYR 79 2HD TYR 79 3.656 -7.103 -6.680 563 HE1 TYR 79 1HE TYR 79 1.820 -3.768 -3.573 564 HE2 TYR 79 2HE TYR 79 4.801 -4.962 -6.378 565 HH TYR 79 HH TYR 79 3.950 -2.761 -3.868 566 H LYS 80 H LYS 80 -1.669 -8.727 -4.625 567 HA LYS 80 HA LYS 80 -2.887 -6.061 -4.719 568 1HB LYS 80 2HB LYS 80 -4.172 -8.724 -4.089 569 2HB LYS 80 1HB LYS 80 -4.994 -7.168 -4.038 570 1HG LYS 80 2HG LYS 80 -3.817 -8.517 -6.457 571 2HG LYS 80 1HG LYS 80 -5.527 -8.252 -6.103 572 1HD LYS 80 2HD LYS 80 -3.591 -5.970 -6.301 573 2HD LYS 80 1HD LYS 80 -4.364 -6.643 -7.741 574 1HE LYS 80 2HE LYS 80 -5.917 -5.702 -5.344 575 2HE LYS 80 1HE LYS 80 -5.497 -4.634 -6.683 576 1HZ LYS 80 1HZ LYS 80 -7.734 -5.608 -6.877 577 2HZ LYS 80 2HZ LYS 80 -7.046 -7.158 -6.969 578 3HZ LYS 80 3HZ LYS 80 -6.730 -6.016 -8.181 579 H ILE 81 H ILE 81 -3.845 -5.254 -2.818 580 HA ILE 81 HA ILE 81 -2.176 -5.626 -0.520 581 HB ILE 81 HB ILE 81 -4.600 -3.845 -0.956 582 1HG1 ILE 81 2HG1 ILE 81 -2.874 -2.017 -0.979 583 2HG1 ILE 81 1HG1 ILE 81 -1.629 -3.254 -0.999 584 1HG2 ILE 81 1HG2 ILE 81 -2.605 -3.809 1.301 585 2HG2 ILE 81 2HG2 ILE 81 -4.290 -4.317 1.419 586 3HG2 ILE 81 3HG2 ILE 81 -3.899 -2.639 1.044 587 1HD1 ILE 81 1HD1 ILE 81 -2.082 -2.251 -3.205 588 2HD1 ILE 81 2HD1 ILE 81 -3.716 -2.908 -3.136 589 3HD1 ILE 81 3HD1 ILE 81 -2.332 -3.996 -3.168 590 H SER 82 H SER 82 -4.647 -7.330 -1.756 591 HA SER 82 HA SER 82 -6.272 -8.009 0.432 592 1HB SER 82 2HB SER 82 -5.381 -9.891 -1.763 593 2HB SER 82 1HB SER 82 -6.892 -9.935 -0.849 594 HG SER 82 HG SER 82 -6.956 -7.588 -1.881 595 H THR 83 H THR 83 -6.111 -9.646 1.988 596 HA THR 83 HA THR 83 -3.504 -10.057 3.026 597 HB THR 83 HB THR 83 -4.694 -11.560 4.675 598 HG1 THR 83 1HG THR 83 -7.075 -10.591 3.454 599 1HG2 THR 83 1HG2 THR 83 -4.352 -9.166 5.098 600 2HG2 THR 83 2HG2 THR 83 -5.888 -9.722 5.761 601 3HG2 THR 83 3HG2 THR 83 -5.858 -8.804 4.256 602 H SER 84 H SER 84 -5.178 -11.739 0.637 603 HA SER 84 HA SER 84 -4.163 -14.367 1.239 604 1HB SER 84 2HB SER 84 -5.152 -14.771 -1.142 605 2HB SER 84 1HB SER 84 -6.252 -14.426 0.200 606 HG SER 84 HG SER 84 -5.387 -12.707 -1.885 607 H THR 85 H THR 85 -2.898 -11.609 -0.203 608 HA THR 85 HA THR 85 -1.349 -12.827 -2.277 609 HB THR 85 HB THR 85 -0.846 -10.170 -0.928 610 HG1 THR 85 1HG THR 85 -2.390 -9.310 -2.181 611 1HG2 THR 85 1HG2 THR 85 0.086 -9.543 -3.110 612 2HG2 THR 85 2HG2 THR 85 -0.233 -11.169 -3.712 613 3HG2 THR 85 3HG2 THR 85 0.940 -10.923 -2.419 614 H ASN 86 H ASN 86 0.715 -13.593 -2.214 615 HA ASN 86 HA ASN 86 2.051 -13.484 0.393 616 1HB ASN 86 2HB ASN 86 3.362 -15.412 -0.278 617 2HB ASN 86 1HB ASN 86 1.652 -15.755 -0.496 618 1HD2 ASN 86 1HD2 ASN 86 0.832 -15.973 -2.585 619 2HD2 ASN 86 2HD2 ASN 86 1.874 -16.255 -3.947 620 H CYS 87 H CYS 87 3.340 -11.829 0.559 621 HA CYS 87 HA CYS 87 4.568 -10.686 -1.838 622 1HB CYS 87 2HB CYS 87 4.521 -9.619 0.986 623 2HB CYS 87 1HB CYS 87 4.991 -8.752 -0.473 624 H ASN 88 H ASN 88 5.375 -13.045 0.161 625 HA ASN 88 HA ASN 88 8.104 -12.241 0.721 626 1HB ASN 88 2HB ASN 88 8.325 -14.486 1.733 627 2HB ASN 88 1HB ASN 88 6.985 -13.570 2.408 628 1HD2 ASN 88 1HD2 ASN 88 7.486 -16.425 2.387 629 2HD2 ASN 88 2HD2 ASN 88 6.086 -17.150 1.633 630 H SER 89 H SER 89 6.858 -12.693 -2.022 631 HA SER 89 HA SER 89 9.184 -14.121 -3.058 632 1HB SER 89 2HB SER 89 7.720 -15.062 -4.877 633 2HB SER 89 1HB SER 89 7.374 -15.717 -3.278 634 HG SER 89 HG SER 89 5.433 -14.905 -3.386 635 H ILE 90 H ILE 90 6.514 -12.923 -4.916 636 HA ILE 90 HA ILE 90 6.362 -11.336 -6.546 637 HB ILE 90 HB ILE 90 6.337 -9.065 -5.684 638 1HG1 ILE 90 2HG1 ILE 90 7.642 -10.184 -3.189 639 2HG1 ILE 90 1HG1 ILE 90 8.440 -9.145 -4.370 640 1HG2 ILE 90 1HG2 ILE 90 4.485 -10.527 -5.149 641 2HG2 ILE 90 2HG2 ILE 90 4.786 -9.396 -3.828 642 3HG2 ILE 90 3HG2 ILE 90 5.314 -11.073 -3.691 643 1HD1 ILE 90 1HD1 ILE 90 6.907 -7.340 -3.835 644 2HD1 ILE 90 2HD1 ILE 90 7.730 -7.913 -2.384 645 3HD1 ILE 90 3HD1 ILE 90 6.058 -8.382 -2.695 646 H ASN 91 H ASN 91 7.635 -8.862 -6.784 647 HA ASN 91 HA ASN 91 10.271 -8.465 -6.764 648 1HB ASN 91 2HB ASN 91 10.444 -10.715 -8.023 649 2HB ASN 91 1HB ASN 91 9.815 -9.835 -9.419 650 1HD2 ASN 91 1HD2 ASN 91 11.077 -8.200 -10.349 651 2HD2 ASN 91 2HD2 ASN 91 12.782 -8.088 -10.058 Start of MODEL 7 1 1H MET 1 1HT MET 1 13.583 0.552 4.262 2 2H MET 1 2HT MET 1 13.421 -0.508 2.947 3 3H MET 1 3HT MET 1 14.216 -1.022 4.356 4 HA MET 1 HA MET 1 11.344 -0.329 4.106 5 1HB MET 1 2HB MET 1 11.646 -2.437 3.093 6 2HB MET 1 1HB MET 1 12.821 -2.944 4.303 7 1HG MET 1 2HG MET 1 10.797 -4.097 4.750 8 2HG MET 1 1HG MET 1 10.996 -2.857 5.999 9 1HE MET 1 1HE MET 1 8.293 -4.248 5.746 10 2HE MET 1 2HE MET 1 7.177 -2.883 5.758 11 3HE MET 1 3HE MET 1 8.586 -2.878 6.817 12 H THR 2 H THR 2 10.419 0.287 5.799 13 HA THR 2 HA THR 2 10.767 -1.288 8.220 14 HB THR 2 HB THR 2 10.273 0.754 9.609 15 HG1 THR 2 1HG THR 2 11.287 2.508 7.737 16 1HG2 THR 2 1HG2 THR 2 12.878 0.864 8.085 17 2HG2 THR 2 2HG2 THR 2 12.559 -0.099 9.525 18 3HG2 THR 2 3HG2 THR 2 12.555 1.662 9.626 19 H CYS 3 H CYS 3 8.632 -1.231 9.432 20 HA CYS 3 HA CYS 3 6.387 -1.113 7.685 21 1HB CYS 3 2HB CYS 3 6.791 -2.456 9.932 22 2HB CYS 3 1HB CYS 3 6.093 -1.016 10.665 23 H GLY 4 H GLY 4 8.265 1.235 8.715 24 1HA GLY 4 2HA GLY 4 6.138 3.220 9.180 25 2HA GLY 4 1HA GLY 4 7.850 3.449 9.540 26 H GLN 5 H GLN 5 8.749 2.242 7.056 27 HA GLN 5 HA GLN 5 8.598 4.395 5.228 28 1HB GLN 5 2HB GLN 5 10.401 2.686 5.212 29 2HB GLN 5 1HB GLN 5 9.235 1.477 4.698 30 1HG GLN 5 2HG GLN 5 8.858 2.765 2.631 31 2HG GLN 5 1HG GLN 5 10.102 3.904 3.144 32 1HE2 GLN 5 1HE2 GLN 5 9.450 0.703 1.977 33 2HE2 GLN 5 2HE2 GLN 5 11.086 0.281 1.581 34 H VAL 6 H VAL 6 6.959 1.321 5.537 35 HA VAL 6 HA VAL 6 5.164 1.511 3.383 36 HB VAL 6 HB VAL 6 4.741 0.162 6.063 37 1HG1 VAL 6 1HG1 VAL 6 2.701 0.297 4.771 38 2HG1 VAL 6 2HG1 VAL 6 3.295 -1.365 4.838 39 3HG1 VAL 6 3HG1 VAL 6 3.521 -0.406 3.377 40 1HG2 VAL 6 1HG2 VAL 6 5.542 -1.874 4.877 41 2HG2 VAL 6 2HG2 VAL 6 6.784 -0.656 5.192 42 3HG2 VAL 6 3HG2 VAL 6 6.096 -0.823 3.574 43 H GLN 7 H GLN 7 5.016 2.648 6.725 44 HA GLN 7 HA GLN 7 2.328 3.378 6.822 45 1HB GLN 7 2HB GLN 7 3.775 3.241 8.809 46 2HB GLN 7 1HB GLN 7 4.650 4.672 8.265 47 1HG GLN 7 2HG GLN 7 2.626 6.004 8.479 48 2HG GLN 7 1HG GLN 7 1.728 4.577 8.987 49 1HE2 GLN 7 1HE2 GLN 7 5.012 5.219 9.985 50 2HE2 GLN 7 2HE2 GLN 7 4.652 5.536 11.649 51 H GLY 8 H GLY 8 5.050 4.982 5.337 52 1HA GLY 8 2HA GLY 8 3.987 7.571 5.085 53 2HA GLY 8 1HA GLY 8 5.145 6.844 3.984 54 H ASN 9 H ASN 9 3.324 4.631 3.330 55 HA ASN 9 HA ASN 9 1.741 5.871 1.274 56 1HB ASN 9 2HB ASN 9 2.787 3.664 0.936 57 2HB ASN 9 1HB ASN 9 1.832 2.998 2.251 58 1HD2 ASN 9 1HD2 ASN 9 2.005 2.212 -0.539 59 2HD2 ASN 9 2HD2 ASN 9 0.391 2.288 -1.163 60 H LEU 10 H LEU 10 0.934 3.797 4.044 61 HA LEU 10 HA LEU 10 -1.827 4.041 3.812 62 1HB LEU 10 2HB LEU 10 -0.072 3.293 6.126 63 2HB LEU 10 1HB LEU 10 -1.816 3.320 6.267 64 HG LEU 10 HG LEU 10 -1.133 1.064 5.884 65 1HD1 LEU 10 1HD1 LEU 10 -2.332 0.515 3.837 66 2HD1 LEU 10 2HD1 LEU 10 -2.264 2.205 3.337 67 3HD1 LEU 10 3HD1 LEU 10 -3.182 1.744 4.770 68 1HD2 LEU 10 1HD2 LEU 10 0.302 2.047 3.423 69 2HD2 LEU 10 2HD2 LEU 10 0.115 0.360 3.906 70 3HD2 LEU 10 3HD2 LEU 10 1.058 1.466 4.907 71 H ALA 11 H ALA 11 0.418 5.926 5.832 72 HA ALA 11 HA ALA 11 -1.440 7.111 7.518 73 1HB ALA 11 1HB ALA 11 1.140 8.298 6.501 74 2HB ALA 11 2HB ALA 11 0.965 7.221 7.888 75 3HB ALA 11 3HB ALA 11 0.249 8.833 7.927 76 H GLN 12 H GLN 12 -0.533 8.026 4.260 77 HA GLN 12 HA GLN 12 -2.003 10.537 4.454 78 1HB GLN 12 2HB GLN 12 -0.572 9.365 2.073 79 2HB GLN 12 1HB GLN 12 -1.066 11.038 2.299 80 1HG GLN 12 2HG GLN 12 0.517 11.207 4.177 81 2HG GLN 12 1HG GLN 12 1.054 9.565 3.840 82 1HE2 GLN 12 1HE2 GLN 12 2.315 9.167 2.055 83 2HE2 GLN 12 2HE2 GLN 12 3.058 10.432 1.137 84 H CYS 13 H CYS 13 -2.303 7.362 3.148 85 HA CYS 13 HA CYS 13 -4.438 8.154 1.338 86 1HB CYS 13 2HB CYS 13 -3.018 5.528 1.748 87 2HB CYS 13 1HB CYS 13 -4.219 5.843 0.501 88 H ILE 14 H ILE 14 -4.059 6.854 4.449 89 HA ILE 14 HA ILE 14 -6.252 5.156 4.717 90 HB ILE 14 HB ILE 14 -4.710 6.866 6.616 91 1HG1 ILE 14 2HG1 ILE 14 -5.446 3.928 6.625 92 2HG1 ILE 14 1HG1 ILE 14 -3.972 4.603 5.924 93 1HG2 ILE 14 1HG2 ILE 14 -6.092 6.149 8.527 94 2HG2 ILE 14 2HG2 ILE 14 -7.295 5.529 7.396 95 3HG2 ILE 14 3HG2 ILE 14 -6.940 7.255 7.445 96 1HD1 ILE 14 1HD1 ILE 14 -3.292 5.391 8.137 97 2HD1 ILE 14 2HD1 ILE 14 -3.536 3.644 8.105 98 3HD1 ILE 14 3HD1 ILE 14 -4.755 4.692 8.831 99 H GLY 15 H GLY 15 -6.202 8.654 4.436 100 1HA GLY 15 2HA GLY 15 -8.743 9.309 5.392 101 2HA GLY 15 1HA GLY 15 -7.938 10.116 4.062 102 H PHE 16 H PHE 16 -8.000 8.916 1.957 103 HA PHE 16 HA PHE 16 -10.657 8.454 1.123 104 1HB PHE 16 2HB PHE 16 -9.156 9.186 -0.522 105 2HB PHE 16 1HB PHE 16 -7.929 8.010 -0.056 106 HD1 PHE 16 1HD PHE 16 -11.158 8.452 -1.796 107 HD2 PHE 16 2HD PHE 16 -7.851 5.870 -1.079 108 HE1 PHE 16 1HE PHE 16 -11.920 6.980 -3.610 109 HE2 PHE 16 2HE PHE 16 -8.610 4.395 -2.898 110 HZ PHE 16 HZ PHE 16 -10.637 4.926 -4.149 111 H LEU 17 H LEU 17 -8.059 6.306 2.065 112 HA LEU 17 HA LEU 17 -9.083 3.787 1.597 113 1HB LEU 17 2HB LEU 17 -7.200 5.074 3.357 114 2HB LEU 17 1HB LEU 17 -8.015 3.756 4.196 115 HG LEU 17 HG LEU 17 -7.243 2.191 2.546 116 1HD1 LEU 17 1HD1 LEU 17 -5.757 2.858 0.717 117 2HD1 LEU 17 2HD1 LEU 17 -5.995 4.550 1.157 118 3HD1 LEU 17 3HD1 LEU 17 -7.352 3.594 0.561 119 1HD2 LEU 17 1HD2 LEU 17 -5.035 3.996 3.483 120 2HD2 LEU 17 2HD2 LEU 17 -4.828 2.341 2.911 121 3HD2 LEU 17 3HD2 LEU 17 -5.747 2.655 4.381 122 H GLN 18 H GLN 18 -9.871 6.000 4.273 123 HA GLN 18 HA GLN 18 -11.735 4.093 5.370 124 1HB GLN 18 2HB GLN 18 -10.133 5.504 6.730 125 2HB GLN 18 1HB GLN 18 -11.121 6.895 6.295 126 1HG GLN 18 2HG GLN 18 -13.046 5.769 7.275 127 2HG GLN 18 1HG GLN 18 -11.987 4.471 7.814 128 1HE2 GLN 18 1HE2 GLN 18 -9.806 6.346 8.383 129 2HE2 GLN 18 2HE2 GLN 18 -10.234 7.136 9.860 130 H LYS 19 H LYS 19 -11.789 7.492 4.328 131 HA LYS 19 HA LYS 19 -14.597 7.093 3.498 132 1HB LYS 19 2HB LYS 19 -13.215 9.546 4.577 133 2HB LYS 19 1HB LYS 19 -14.678 9.678 3.613 134 1HG LYS 19 2HG LYS 19 -15.330 9.751 5.887 135 2HG LYS 19 1HG LYS 19 -15.799 8.168 5.270 136 1HD LYS 19 2HD LYS 19 -13.724 7.230 6.254 137 2HD LYS 19 1HD LYS 19 -13.388 8.810 6.961 138 1HE LYS 19 2HE LYS 19 -15.845 7.146 7.497 139 2HE LYS 19 1HE LYS 19 -14.439 7.252 8.553 140 1HZ LYS 19 1HZ LYS 19 -16.354 9.410 7.867 141 2HZ LYS 19 2HZ LYS 19 -14.881 9.699 8.657 142 3HZ LYS 19 3HZ LYS 19 -16.062 8.725 9.392 143 H GLY 20 H GLY 20 -14.208 6.415 1.451 144 1HA GLY 20 2HA GLY 20 -12.333 7.494 -0.334 145 2HA GLY 20 1HA GLY 20 -13.739 6.533 -0.782 146 H GLY 21 H GLY 21 -12.291 9.549 -0.928 147 1HA GLY 21 2HA GLY 21 -14.607 10.627 -2.330 148 2HA GLY 21 1HA GLY 21 -14.053 11.535 -0.924 149 H VAL 22 H VAL 22 -11.501 11.735 -0.972 150 HA VAL 22 HA VAL 22 -10.696 12.489 -3.694 151 HB VAL 22 HB VAL 22 -11.455 14.538 -2.659 152 1HG1 VAL 22 1HG1 VAL 22 -9.533 13.930 -0.419 153 2HG1 VAL 22 2HG1 VAL 22 -11.294 13.882 -0.323 154 3HG1 VAL 22 3HG1 VAL 22 -10.466 15.417 -0.603 155 1HG2 VAL 22 1HG2 VAL 22 -8.443 14.401 -2.723 156 2HG2 VAL 22 2HG2 VAL 22 -9.398 15.883 -2.762 157 3HG2 VAL 22 3HG2 VAL 22 -9.509 14.726 -4.089 158 H VAL 23 H VAL 23 -8.648 11.968 -4.219 159 HA VAL 23 HA VAL 23 -6.950 10.837 -2.096 160 HB VAL 23 HB VAL 23 -6.701 10.460 -5.088 161 1HG1 VAL 23 1HG1 VAL 23 -4.557 10.300 -3.961 162 2HG1 VAL 23 2HG1 VAL 23 -5.086 8.700 -4.479 163 3HG1 VAL 23 3HG1 VAL 23 -5.233 9.172 -2.786 164 1HG2 VAL 23 1HG2 VAL 23 -8.698 9.370 -4.158 165 2HG2 VAL 23 2HG2 VAL 23 -7.676 8.535 -2.986 166 3HG2 VAL 23 3HG2 VAL 23 -7.498 8.199 -4.710 167 HA PRO 24 HA PRO 24 -4.484 14.533 -2.722 168 1HB PRO 24 2HB PRO 24 -2.806 14.076 -0.648 169 2HB PRO 24 1HB PRO 24 -4.443 14.710 -0.424 170 1HG PRO 24 2HG PRO 24 -3.434 11.908 -0.097 171 2HG PRO 24 1HG PRO 24 -4.560 12.824 0.929 172 1HD PRO 24 2HD PRO 24 -5.343 10.967 -0.903 173 2HD PRO 24 1HD PRO 24 -6.344 12.355 -0.427 174 HA PRO 25 HA PRO 25 -1.229 12.731 -5.233 175 1HB PRO 25 2HB PRO 25 0.012 15.398 -4.794 176 2HB PRO 25 1HB PRO 25 -0.328 14.548 -6.309 177 1HG PRO 25 2HG PRO 25 -1.821 16.615 -5.550 178 2HG PRO 25 1HG PRO 25 -2.557 15.197 -6.321 179 1HD PRO 25 2HD PRO 25 -2.518 15.980 -3.435 180 2HD PRO 25 1HD PRO 25 -3.832 15.263 -4.388 181 H SER 26 H SER 26 -0.915 14.021 -2.101 182 HA SER 26 HA SER 26 1.879 13.507 -1.690 183 1HB SER 26 2HB SER 26 -0.368 13.897 0.308 184 2HB SER 26 1HB SER 26 1.361 13.971 0.671 185 HG SER 26 HG SER 26 -0.280 15.814 -0.653 186 H CYS 27 H CYS 27 -1.140 12.080 -0.561 187 HA CYS 27 HA CYS 27 -0.315 9.650 0.427 188 1HB CYS 27 2HB CYS 27 -2.593 9.964 0.651 189 2HB CYS 27 1HB CYS 27 -2.736 10.732 -0.924 190 H CYS 28 H CYS 28 -1.078 10.533 -2.938 191 HA CYS 28 HA CYS 28 -0.499 8.074 -4.066 192 1HB CYS 28 2HB CYS 28 -0.664 10.837 -5.157 193 2HB CYS 28 1HB CYS 28 -0.038 9.542 -6.185 194 H THR 29 H THR 29 1.629 10.726 -3.270 195 HA THR 29 HA THR 29 3.919 9.783 -4.603 196 HB THR 29 HB THR 29 3.707 11.440 -2.078 197 HG1 THR 29 1HG THR 29 2.799 12.239 -4.175 198 1HG2 THR 29 1HG2 THR 29 6.059 11.026 -3.922 199 2HG2 THR 29 2HG2 THR 29 5.921 10.454 -2.259 200 3HG2 THR 29 3HG2 THR 29 5.992 12.185 -2.597 201 H GLY 30 H GLY 30 2.539 9.098 -1.425 202 1HA GLY 30 2HA GLY 30 4.748 7.558 -0.477 203 2HA GLY 30 1HA GLY 30 3.132 7.583 0.202 204 H VAL 31 H VAL 31 1.736 6.756 -2.133 205 HA VAL 31 HA VAL 31 2.011 3.954 -2.034 206 HB VAL 31 HB VAL 31 0.849 5.431 -4.393 207 1HG1 VAL 31 1HG1 VAL 31 -0.678 3.512 -4.467 208 2HG1 VAL 31 2HG1 VAL 31 0.156 2.810 -3.079 209 3HG1 VAL 31 3HG1 VAL 31 1.010 3.017 -4.609 210 1HG2 VAL 31 1HG2 VAL 31 -1.281 5.540 -3.215 211 2HG2 VAL 31 2HG2 VAL 31 -0.041 6.471 -2.373 212 3HG2 VAL 31 3HG2 VAL 31 -0.519 4.886 -1.766 213 H LYS 32 H LYS 32 3.036 6.351 -4.428 214 HA LYS 32 HA LYS 32 4.422 4.628 -6.131 215 1HB LYS 32 2HB LYS 32 4.690 7.557 -5.527 216 2HB LYS 32 1HB LYS 32 5.770 6.759 -6.665 217 1HG LYS 32 2HG LYS 32 3.910 6.128 -8.059 218 2HG LYS 32 1HG LYS 32 2.768 6.777 -6.883 219 1HD LYS 32 2HD LYS 32 3.472 9.001 -7.295 220 2HD LYS 32 1HD LYS 32 4.876 8.459 -8.215 221 1HE LYS 32 2HE LYS 32 2.045 7.884 -9.060 222 2HE LYS 32 1HE LYS 32 2.914 9.335 -9.559 223 1HZ LYS 32 1HZ LYS 32 3.034 7.528 -11.202 224 2HZ LYS 32 2HZ LYS 32 3.841 6.555 -10.070 225 3HZ LYS 32 3HZ LYS 32 4.565 7.980 -10.630 226 H ASN 33 H ASN 33 5.303 5.981 -3.022 227 HA ASN 33 HA ASN 33 8.075 5.336 -3.185 228 1HB ASN 33 2HB ASN 33 6.183 5.985 -0.959 229 2HB ASN 33 1HB ASN 33 7.752 5.289 -0.565 230 1HD2 ASN 33 1HD2 ASN 33 8.255 7.221 0.522 231 2HD2 ASN 33 2HD2 ASN 33 8.750 8.634 -0.356 232 H ILE 34 H ILE 34 5.309 3.666 -1.716 233 HA ILE 34 HA ILE 34 6.766 1.397 -0.917 234 HB ILE 34 HB ILE 34 3.980 2.271 -0.968 235 1HG1 ILE 34 2HG1 ILE 34 4.071 1.768 1.277 236 2HG1 ILE 34 1HG1 ILE 34 5.146 0.396 1.037 237 1HG2 ILE 34 1HG2 ILE 34 2.967 0.101 -0.623 238 2HG2 ILE 34 2HG2 ILE 34 4.505 -0.691 -0.968 239 3HG2 ILE 34 3HG2 ILE 34 3.676 0.210 -2.236 240 1HD1 ILE 34 1HD1 ILE 34 5.949 3.289 0.816 241 2HD1 ILE 34 2HD1 ILE 34 7.021 1.886 0.675 242 3HD1 ILE 34 3HD1 ILE 34 6.227 2.248 2.215 243 H LEU 35 H LEU 35 5.536 2.309 -3.988 244 HA LEU 35 HA LEU 35 5.901 -0.386 -5.026 245 1HB LEU 35 2HB LEU 35 4.777 2.140 -6.104 246 2HB LEU 35 1HB LEU 35 5.487 1.018 -7.252 247 HG LEU 35 HG LEU 35 3.993 -0.749 -6.274 248 1HD1 LEU 35 1HD1 LEU 35 2.604 1.620 -5.050 249 2HD1 LEU 35 2HD1 LEU 35 3.448 0.346 -4.171 250 3HD1 LEU 35 3HD1 LEU 35 1.992 -0.034 -5.091 251 1HD2 LEU 35 1HD2 LEU 35 2.684 1.598 -7.610 252 2HD2 LEU 35 2HD2 LEU 35 2.057 -0.051 -7.561 253 3HD2 LEU 35 3HD2 LEU 35 3.560 0.296 -8.415 254 H ASN 36 H ASN 36 7.058 2.779 -6.131 255 HA ASN 36 HA ASN 36 9.251 1.548 -7.513 256 1HB ASN 36 2HB ASN 36 8.440 4.427 -7.149 257 2HB ASN 36 1HB ASN 36 9.869 3.948 -8.054 258 1HD2 ASN 36 1HD2 ASN 36 9.135 4.760 -9.962 259 2HD2 ASN 36 2HD2 ASN 36 7.828 4.053 -10.856 260 H SER 37 H SER 37 8.967 3.625 -4.647 261 HA SER 37 HA SER 37 11.807 3.914 -4.410 262 1HB SER 37 2HB SER 37 9.583 4.657 -2.509 263 2HB SER 37 1HB SER 37 11.282 5.089 -2.289 264 HG SER 37 HG SER 37 9.577 6.513 -3.544 265 H SER 38 H SER 38 9.800 1.368 -3.640 266 HA SER 38 HA SER 38 10.882 0.283 -1.320 267 1HB SER 38 2HB SER 38 9.009 -0.712 -2.595 268 2HB SER 38 1HB SER 38 10.140 -1.191 -3.866 269 HG SER 38 HG SER 38 10.314 -2.008 -1.145 270 H ARG 39 H ARG 39 12.877 -0.246 -0.783 271 HA ARG 39 HA ARG 39 14.996 0.627 -2.393 272 1HB ARG 39 2HB ARG 39 14.905 0.595 0.115 273 2HB ARG 39 1HB ARG 39 15.208 -1.138 0.045 274 1HG ARG 39 2HG ARG 39 17.260 0.032 0.500 275 2HG ARG 39 1HG ARG 39 17.337 -0.695 -1.107 276 1HD ARG 39 2HD ARG 39 18.240 1.583 -1.100 277 2HD ARG 39 1HD ARG 39 16.809 1.452 -2.122 278 HE ARG 39 HE ARG 39 16.167 2.286 0.542 279 1HH1 ARG 39 1HH1 ARG 39 17.358 3.417 -2.556 280 2HH1 ARG 39 2HH1 ARG 39 16.806 5.044 -2.321 281 1HH2 ARG 39 1HH2 ARG 39 15.454 4.434 0.866 282 2HH2 ARG 39 2HH2 ARG 39 15.740 5.630 -0.366 283 H THR 40 H THR 40 13.616 -2.544 -2.040 284 HA THR 40 HA THR 40 15.145 -3.703 -4.098 285 HB THR 40 HB THR 40 17.007 -3.576 -2.535 286 HG1 THR 40 1HG THR 40 17.564 -5.772 -2.484 287 1HG2 THR 40 1HG2 THR 40 16.974 -4.724 -0.372 288 2HG2 THR 40 2HG2 THR 40 15.279 -5.147 -0.625 289 3HG2 THR 40 3HG2 THR 40 15.750 -3.455 -0.447 290 H THR 41 H THR 41 15.028 -6.342 -3.599 291 HA THR 41 HA THR 41 12.218 -6.859 -3.439 292 HB THR 41 HB THR 41 14.452 -8.876 -3.342 293 HG1 THR 41 1HG THR 41 14.589 -8.730 -5.503 294 1HG2 THR 41 1HG2 THR 41 12.245 -9.755 -2.746 295 2HG2 THR 41 2HG2 THR 41 12.776 -10.392 -4.305 296 3HG2 THR 41 3HG2 THR 41 11.576 -9.103 -4.244 297 H ALA 42 H ALA 42 14.976 -7.240 -1.283 298 HA ALA 42 HA ALA 42 13.651 -8.515 0.840 299 1HB ALA 42 1HB ALA 42 15.417 -7.594 2.267 300 2HB ALA 42 2HB ALA 42 15.899 -6.502 0.967 301 3HB ALA 42 3HB ALA 42 16.083 -8.244 0.769 302 H ASP 43 H ASP 43 13.440 -5.345 -0.439 303 HA ASP 43 HA ASP 43 12.106 -4.226 1.885 304 1HB ASP 43 2HB ASP 43 13.624 -2.940 0.269 305 2HB ASP 43 1HB ASP 43 12.319 -3.067 -0.899 306 H ARG 44 H ARG 44 11.437 -5.264 -1.407 307 HA ARG 44 HA ARG 44 8.735 -4.733 -1.634 308 1HB ARG 44 2HB ARG 44 10.155 -5.464 -3.493 309 2HB ARG 44 1HB ARG 44 10.290 -7.063 -2.772 310 1HG ARG 44 2HG ARG 44 8.705 -7.245 -4.504 311 2HG ARG 44 1HG ARG 44 7.783 -7.239 -2.999 312 1HD ARG 44 2HD ARG 44 6.703 -5.818 -4.636 313 2HD ARG 44 1HD ARG 44 7.333 -4.840 -3.310 314 HE ARG 44 HE ARG 44 8.999 -5.138 -5.691 315 1HH1 ARG 44 1HH1 ARG 44 6.786 -3.153 -3.841 316 2HH1 ARG 44 2HH1 ARG 44 7.318 -1.668 -4.553 317 1HH2 ARG 44 1HH2 ARG 44 9.713 -3.180 -6.631 318 2HH2 ARG 44 2HH2 ARG 44 8.969 -1.678 -6.148 319 H ARG 45 H ARG 45 10.274 -7.696 -0.424 320 HA ARG 45 HA ARG 45 7.896 -9.130 0.034 321 1HB ARG 45 2HB ARG 45 10.519 -9.331 1.520 322 2HB ARG 45 1HB ARG 45 9.230 -10.521 1.570 323 1HG ARG 45 2HG ARG 45 9.552 -10.887 -0.863 324 2HG ARG 45 1HG ARG 45 10.939 -9.793 -0.796 325 1HD ARG 45 2HD ARG 45 11.839 -11.288 1.048 326 2HD ARG 45 1HD ARG 45 10.585 -12.437 0.593 327 HE ARG 45 HE ARG 45 12.446 -11.515 -1.465 328 1HH1 ARG 45 1HH1 ARG 45 11.270 -14.080 0.608 329 2HH1 ARG 45 2HH1 ARG 45 12.203 -15.319 -0.180 330 1HH2 ARG 45 1HH2 ARG 45 13.666 -13.127 -2.497 331 2HH2 ARG 45 2HH2 ARG 45 13.559 -14.777 -1.953 332 H ALA 46 H ALA 46 9.872 -7.151 2.200 333 HA ALA 46 HA ALA 46 8.266 -7.634 4.485 334 1HB ALA 46 1HB ALA 46 10.315 -5.483 3.993 335 2HB ALA 46 2HB ALA 46 10.626 -7.081 4.669 336 3HB ALA 46 3HB ALA 46 9.637 -5.924 5.559 337 H VAL 47 H VAL 47 8.461 -4.921 2.178 338 HA VAL 47 HA VAL 47 6.690 -3.198 3.512 339 HB VAL 47 HB VAL 47 8.088 -2.495 1.576 340 1HG1 VAL 47 1HG1 VAL 47 6.023 -3.890 -0.113 341 2HG1 VAL 47 2HG1 VAL 47 7.700 -4.397 0.094 342 3HG1 VAL 47 3HG1 VAL 47 7.333 -2.862 -0.697 343 1HG2 VAL 47 1HG2 VAL 47 6.428 -1.002 0.571 344 2HG2 VAL 47 2HG2 VAL 47 6.274 -1.089 2.324 345 3HG2 VAL 47 3HG2 VAL 47 5.142 -1.965 1.294 346 H CYS 48 H CYS 48 6.097 -5.868 1.291 347 HA CYS 48 HA CYS 48 3.292 -5.487 1.113 348 1HB CYS 48 2HB CYS 48 4.594 -6.837 -0.501 349 2HB CYS 48 1HB CYS 48 4.909 -8.020 0.764 350 H SER 49 H SER 49 5.357 -7.512 3.184 351 HA SER 49 HA SER 49 3.307 -8.765 4.618 352 1HB SER 49 2HB SER 49 6.122 -8.081 5.494 353 2HB SER 49 1HB SER 49 5.051 -9.212 6.320 354 HG SER 49 HG SER 49 6.697 -9.811 4.426 355 H CYS 50 H CYS 50 4.922 -5.661 5.119 356 HA CYS 50 HA CYS 50 3.537 -5.122 7.568 357 1HB CYS 50 2HB CYS 50 5.606 -3.998 7.304 358 2HB CYS 50 1HB CYS 50 5.169 -3.410 5.705 359 H LEU 51 H LEU 51 3.086 -4.122 4.159 360 HA LEU 51 HA LEU 51 1.006 -2.337 4.777 361 1HB LEU 51 2HB LEU 51 0.503 -2.209 2.435 362 2HB LEU 51 1HB LEU 51 2.231 -2.160 2.685 363 HG LEU 51 HG LEU 51 2.130 -4.700 2.082 364 1HD1 LEU 51 1HD1 LEU 51 -0.419 -3.690 0.819 365 2HD1 LEU 51 2HD1 LEU 51 -0.297 -4.926 2.072 366 3HD1 LEU 51 3HD1 LEU 51 0.363 -5.230 0.465 367 1HD2 LEU 51 1HD2 LEU 51 3.265 -3.007 0.776 368 2HD2 LEU 51 2HD2 LEU 51 1.735 -2.503 0.061 369 3HD2 LEU 51 3HD2 LEU 51 2.385 -4.105 -0.288 370 H LYS 52 H LYS 52 1.026 -5.799 4.188 371 HA LYS 52 HA LYS 52 -1.804 -5.984 3.819 372 1HB LYS 52 2HB LYS 52 -1.545 -8.347 3.837 373 2HB LYS 52 1HB LYS 52 -0.163 -7.686 2.984 374 1HG LYS 52 2HG LYS 52 1.208 -7.989 5.001 375 2HG LYS 52 1HG LYS 52 -0.188 -8.701 5.818 376 1HD LYS 52 2HD LYS 52 -0.280 -10.448 4.074 377 2HD LYS 52 1HD LYS 52 1.163 -9.754 3.332 378 1HE LYS 52 2HE LYS 52 1.850 -11.616 4.650 379 2HE LYS 52 1HE LYS 52 2.363 -10.150 5.484 380 1HZ LYS 52 1HZ LYS 52 1.269 -11.993 6.847 381 2HZ LYS 52 2HZ LYS 52 -0.192 -11.475 6.162 382 3HZ LYS 52 3HZ LYS 52 0.734 -10.404 7.100 383 H ALA 53 H ALA 53 0.297 -5.879 6.588 384 HA ALA 53 HA ALA 53 -1.747 -6.735 8.430 385 1HB ALA 53 1HB ALA 53 0.554 -6.997 9.120 386 2HB ALA 53 2HB ALA 53 -0.281 -5.865 10.194 387 3HB ALA 53 3HB ALA 53 0.831 -5.261 8.956 388 H ALA 54 H ALA 54 -0.579 -3.733 7.074 389 HA ALA 54 HA ALA 54 -2.115 -2.006 8.714 390 1HB ALA 54 1HB ALA 54 -1.686 -0.311 7.019 391 2HB ALA 54 2HB ALA 54 -1.132 -1.552 5.894 392 3HB ALA 54 3HB ALA 54 -0.215 -1.220 7.365 393 H ALA 55 H ALA 55 -2.677 -3.517 5.563 394 HA ALA 55 HA ALA 55 -5.335 -2.510 5.272 395 1HB ALA 55 1HB ALA 55 -5.497 -4.053 3.393 396 2HB ALA 55 2HB ALA 55 -4.010 -4.850 3.903 397 3HB ALA 55 3HB ALA 55 -3.967 -3.176 3.346 398 H GLY 56 H GLY 56 -3.989 -4.916 7.204 399 1HA GLY 56 2HA GLY 56 -6.569 -6.309 7.481 400 2HA GLY 56 1HA GLY 56 -5.013 -6.919 8.043 401 H ALA 57 H ALA 57 -4.677 -3.911 8.901 402 HA ALA 57 HA ALA 57 -5.678 -4.354 11.591 403 1HB ALA 57 1HB ALA 57 -3.905 -2.151 10.556 404 2HB ALA 57 2HB ALA 57 -3.346 -3.650 11.298 405 3HB ALA 57 3HB ALA 57 -4.276 -2.488 12.247 406 H VAL 58 H VAL 58 -6.862 -3.133 8.848 407 HA VAL 58 HA VAL 58 -7.624 -0.499 9.390 408 HB VAL 58 HB VAL 58 -9.294 -0.820 7.549 409 1HG1 VAL 58 1HG1 VAL 58 -6.441 -1.665 7.069 410 2HG1 VAL 58 2HG1 VAL 58 -7.087 -0.021 7.041 411 3HG1 VAL 58 3HG1 VAL 58 -7.569 -1.183 5.803 412 1HG2 VAL 58 1HG2 VAL 58 -8.144 -3.610 7.488 413 2HG2 VAL 58 2HG2 VAL 58 -9.203 -2.909 6.266 414 3HG2 VAL 58 3HG2 VAL 58 -9.801 -3.176 7.902 415 H ARG 59 H ARG 59 -9.230 0.410 10.428 416 HA ARG 59 HA ARG 59 -11.516 -1.222 11.288 417 1HB ARG 59 2HB ARG 59 -10.149 -0.806 13.213 418 2HB ARG 59 1HB ARG 59 -9.972 0.889 12.796 419 1HG ARG 59 2HG ARG 59 -12.401 1.183 13.194 420 2HG ARG 59 1HG ARG 59 -12.463 -0.492 13.752 421 1HD ARG 59 2HD ARG 59 -10.582 1.543 14.905 422 2HD ARG 59 1HD ARG 59 -12.207 1.284 15.544 423 HE ARG 59 HE ARG 59 -11.364 -1.154 15.744 424 1HH1 ARG 59 1HH1 ARG 59 -9.389 1.706 16.199 425 2HH1 ARG 59 2HH1 ARG 59 -8.382 0.975 17.418 426 1HH2 ARG 59 1HH2 ARG 59 -10.014 -2.138 17.297 427 2HH2 ARG 59 2HH2 ARG 59 -8.723 -1.222 18.015 428 H GLY 60 H GLY 60 -13.003 -0.565 9.801 429 1HA GLY 60 2HA GLY 60 -14.710 0.866 9.092 430 2HA GLY 60 1HA GLY 60 -13.929 2.187 9.961 431 H ILE 61 H ILE 61 -11.932 0.311 7.937 432 HA ILE 61 HA ILE 61 -11.471 2.631 6.271 433 HB ILE 61 HB ILE 61 -9.973 0.040 6.529 434 1HG1 ILE 61 2HG1 ILE 61 -9.822 1.548 8.484 435 2HG1 ILE 61 1HG1 ILE 61 -8.274 1.349 7.671 436 1HG2 ILE 61 1HG2 ILE 61 -9.674 0.855 4.280 437 2HG2 ILE 61 2HG2 ILE 61 -8.190 1.102 5.200 438 3HG2 ILE 61 3HG2 ILE 61 -9.267 2.464 4.879 439 1HD1 ILE 61 1HD1 ILE 61 -8.602 3.518 6.574 440 2HD1 ILE 61 2HD1 ILE 61 -8.584 3.641 8.332 441 3HD1 ILE 61 3HD1 ILE 61 -10.113 3.716 7.457 442 H ASN 62 H ASN 62 -11.186 -0.639 5.409 443 HA ASN 62 HA ASN 62 -12.301 -1.999 3.916 444 1HB ASN 62 2HB ASN 62 -13.512 0.578 2.999 445 2HB ASN 62 1HB ASN 62 -13.452 -0.801 1.906 446 1HD2 ASN 62 1HD2 ASN 62 -15.753 0.524 3.110 447 2HD2 ASN 62 2HD2 ASN 62 -16.604 -0.717 3.976 448 HA PRO 63 HA PRO 63 -8.458 -1.474 1.813 449 1HB PRO 63 2HB PRO 63 -8.470 -4.212 1.096 450 2HB PRO 63 1HB PRO 63 -7.586 -3.442 2.418 451 1HG PRO 63 2HG PRO 63 -9.785 -5.215 2.604 452 2HG PRO 63 1HG PRO 63 -8.979 -4.356 3.920 453 1HD PRO 63 2HD PRO 63 -11.554 -3.839 2.661 454 2HD PRO 63 1HD PRO 63 -10.900 -3.209 4.184 455 H ASN 64 H ASN 64 -11.465 -2.511 0.593 456 HA ASN 64 HA ASN 64 -11.030 -2.757 -2.125 457 1HB ASN 64 2HB ASN 64 -13.260 -2.902 -1.078 458 2HB ASN 64 1HB ASN 64 -13.219 -1.176 -0.746 459 1HD2 ASN 64 1HD2 ASN 64 -12.069 -2.678 -3.716 460 2HD2 ASN 64 2HD2 ASN 64 -13.302 -1.997 -4.734 461 H ASN 65 H ASN 65 -11.028 0.134 -0.107 462 HA ASN 65 HA ASN 65 -10.665 1.950 -2.302 463 1HB ASN 65 2HB ASN 65 -10.276 2.360 0.659 464 2HB ASN 65 1HB ASN 65 -10.327 3.631 -0.550 465 1HD2 ASN 65 1HD2 ASN 65 -12.021 3.119 1.802 466 2HD2 ASN 65 2HD2 ASN 65 -13.642 3.065 1.194 467 H ALA 66 H ALA 66 -8.653 0.172 -0.102 468 HA ALA 66 HA ALA 66 -6.243 1.617 -0.634 469 1HB ALA 66 1HB ALA 66 -6.512 0.403 1.451 470 2HB ALA 66 2HB ALA 66 -5.131 -0.227 0.552 471 3HB ALA 66 3HB ALA 66 -6.653 -1.120 0.572 472 H GLU 67 H GLU 67 -7.899 -1.096 -2.055 473 HA GLU 67 HA GLU 67 -5.670 -1.747 -3.797 474 1HB GLU 67 2HB GLU 67 -7.232 -3.481 -2.880 475 2HB GLU 67 1HB GLU 67 -8.514 -2.780 -3.854 476 1HG GLU 67 2HG GLU 67 -7.366 -3.363 -5.882 477 2HG GLU 67 1HG GLU 67 -5.970 -3.937 -4.967 478 H ALA 68 H ALA 68 -8.506 0.212 -3.789 479 HA ALA 68 HA ALA 68 -8.543 0.763 -6.607 480 1HB ALA 68 1HB ALA 68 -10.039 2.629 -5.944 481 2HB ALA 68 2HB ALA 68 -9.728 2.240 -4.248 482 3HB ALA 68 3HB ALA 68 -10.552 1.075 -5.287 483 H LEU 69 H LEU 69 -6.823 1.834 -3.857 484 HA LEU 69 HA LEU 69 -6.020 4.392 -4.500 485 1HB LEU 69 2HB LEU 69 -5.685 3.291 -2.341 486 2HB LEU 69 1HB LEU 69 -4.478 2.243 -3.057 487 HG LEU 69 HG LEU 69 -3.059 4.221 -3.493 488 1HD1 LEU 69 1HD1 LEU 69 -5.190 5.683 -1.939 489 2HD1 LEU 69 2HD1 LEU 69 -4.801 5.914 -3.644 490 3HD1 LEU 69 3HD1 LEU 69 -3.622 6.342 -2.403 491 1HD2 LEU 69 1HD2 LEU 69 -3.945 3.864 -0.634 492 2HD2 LEU 69 2HD2 LEU 69 -2.417 4.570 -1.162 493 3HD2 LEU 69 3HD2 LEU 69 -2.764 2.870 -1.484 494 HA PRO 70 HA PRO 70 -2.057 2.436 -6.745 495 1HB PRO 70 2HB PRO 70 -3.405 -0.024 -7.746 496 2HB PRO 70 1HB PRO 70 -1.725 0.216 -7.240 497 1HG PRO 70 2HG PRO 70 -3.452 -1.076 -5.677 498 2HG PRO 70 1HG PRO 70 -2.242 0.021 -4.988 499 1HD PRO 70 2HD PRO 70 -5.163 0.439 -5.406 500 2HD PRO 70 1HD PRO 70 -4.121 0.996 -4.082 501 H GLY 71 H GLY 71 -5.400 2.020 -7.735 502 1HA GLY 71 2HA GLY 71 -4.908 2.433 -10.529 503 2HA GLY 71 1HA GLY 71 -6.474 2.458 -9.725 504 H LYS 72 H LYS 72 -5.969 4.471 -7.843 505 HA LYS 72 HA LYS 72 -6.542 6.750 -9.412 506 1HB LYS 72 2HB LYS 72 -5.774 6.677 -6.487 507 2HB LYS 72 1HB LYS 72 -6.632 7.969 -7.318 508 1HG LYS 72 2HG LYS 72 -7.640 5.196 -6.735 509 2HG LYS 72 1HG LYS 72 -8.211 6.718 -6.048 510 1HD LYS 72 2HD LYS 72 -8.386 5.932 -8.954 511 2HD LYS 72 1HD LYS 72 -9.719 5.870 -7.794 512 1HE LYS 72 2HE LYS 72 -8.200 8.384 -8.451 513 2HE LYS 72 1HE LYS 72 -9.661 7.886 -9.306 514 1HZ LYS 72 1HZ LYS 72 -9.406 8.580 -6.435 515 2HZ LYS 72 2HZ LYS 72 -10.782 7.852 -7.093 516 3HZ LYS 72 3HZ LYS 72 -10.304 9.390 -7.618 517 H CYS 73 H CYS 73 -3.648 5.687 -7.696 518 HA CYS 73 HA CYS 73 -2.241 8.129 -8.374 519 1HB CYS 73 2HB CYS 73 -1.243 5.643 -6.968 520 2HB CYS 73 1HB CYS 73 -0.411 7.203 -7.037 521 H GLY 74 H GLY 74 -3.067 5.570 -10.131 522 1HA GLY 74 2HA GLY 74 -2.442 4.892 -12.219 523 2HA GLY 74 1HA GLY 74 -1.393 6.303 -12.261 524 H VAL 75 H VAL 75 -1.352 3.353 -10.259 525 HA VAL 75 HA VAL 75 1.279 2.781 -11.437 526 HB VAL 75 HB VAL 75 1.668 1.618 -9.079 527 1HG1 VAL 75 1HG1 VAL 75 2.945 3.559 -8.415 528 2HG1 VAL 75 2HG1 VAL 75 2.015 4.583 -9.508 529 3HG1 VAL 75 3HG1 VAL 75 3.076 3.332 -10.159 530 1HG2 VAL 75 1HG2 VAL 75 -0.560 2.341 -8.198 531 2HG2 VAL 75 2HG2 VAL 75 -0.004 4.010 -8.312 532 3HG2 VAL 75 3HG2 VAL 75 0.813 2.880 -7.232 533 H ASN 76 H ASN 76 -0.389 0.841 -9.045 534 HA ASN 76 HA ASN 76 -1.313 -1.212 -9.036 535 1HB ASN 76 2HB ASN 76 -2.631 -0.178 -11.015 536 2HB ASN 76 1HB ASN 76 -1.588 -1.174 -12.031 537 1HD2 ASN 76 1HD2 ASN 76 -4.475 -1.305 -11.625 538 2HD2 ASN 76 2HD2 ASN 76 -4.806 -2.907 -11.053 539 H ILE 77 H ILE 77 -0.507 -3.209 -8.945 540 HA ILE 77 HA ILE 77 1.801 -3.908 -10.616 541 HB ILE 77 HB ILE 77 2.928 -4.887 -8.604 542 1HG1 ILE 77 2HG1 ILE 77 0.813 -4.847 -7.176 543 2HG1 ILE 77 1HG1 ILE 77 2.308 -4.360 -6.392 544 1HG2 ILE 77 1HG2 ILE 77 3.882 -2.790 -7.817 545 2HG2 ILE 77 2HG2 ILE 77 2.550 -1.906 -8.561 546 3HG2 ILE 77 3HG2 ILE 77 3.684 -2.803 -9.568 547 1HD1 ILE 77 1HD1 ILE 77 1.655 -2.004 -6.667 548 2HD1 ILE 77 2HD1 ILE 77 0.492 -2.927 -5.713 549 3HD1 ILE 77 3HD1 ILE 77 0.137 -2.530 -7.396 550 HA PRO 78 HA PRO 78 0.300 -8.082 -10.960 551 1HB PRO 78 2HB PRO 78 2.593 -9.007 -9.283 552 2HB PRO 78 1HB PRO 78 2.014 -9.623 -10.840 553 1HG PRO 78 2HG PRO 78 4.175 -8.094 -10.739 554 2HG PRO 78 1HG PRO 78 2.981 -7.879 -12.035 555 1HD PRO 78 2HD PRO 78 3.468 -6.211 -9.609 556 2HD PRO 78 1HD PRO 78 2.990 -5.711 -11.244 557 H TYR 79 H TYR 79 1.764 -7.844 -7.684 558 HA TYR 79 HA TYR 79 -0.394 -9.351 -6.539 559 1HB TYR 79 2HB TYR 79 0.659 -8.912 -4.381 560 2HB TYR 79 1HB TYR 79 1.850 -9.462 -5.548 561 HD1 TYR 79 1HD TYR 79 0.525 -6.408 -3.877 562 HD2 TYR 79 2HD TYR 79 3.777 -8.192 -5.967 563 HE1 TYR 79 1HE TYR 79 1.947 -4.481 -3.305 564 HE2 TYR 79 2HE TYR 79 5.198 -6.263 -5.412 565 HH TYR 79 HH TYR 79 4.268 -3.902 -3.105 566 H LYS 80 H LYS 80 -1.656 -8.398 -4.649 567 HA LYS 80 HA LYS 80 -2.436 -5.645 -5.312 568 1HB LYS 80 2HB LYS 80 -4.275 -7.981 -4.780 569 2HB LYS 80 1HB LYS 80 -4.801 -6.306 -4.876 570 1HG LYS 80 2HG LYS 80 -3.546 -7.915 -7.085 571 2HG LYS 80 1HG LYS 80 -5.238 -7.428 -6.959 572 1HD LYS 80 2HD LYS 80 -4.586 -5.088 -7.093 573 2HD LYS 80 1HD LYS 80 -2.884 -5.558 -7.176 574 1HE LYS 80 2HE LYS 80 -5.019 -6.274 -9.192 575 2HE LYS 80 1HE LYS 80 -3.788 -5.026 -9.397 576 1HZ LYS 80 1HZ LYS 80 -3.260 -7.933 -9.052 577 2HZ LYS 80 2HZ LYS 80 -2.083 -6.732 -9.262 578 3HZ LYS 80 3HZ LYS 80 -3.166 -7.084 -10.514 579 H ILE 81 H ILE 81 -4.179 -4.982 -3.526 580 HA ILE 81 HA ILE 81 -2.689 -5.004 -1.052 581 HB ILE 81 HB ILE 81 -5.335 -3.662 -1.652 582 1HG1 ILE 81 2HG1 ILE 81 -3.640 -2.900 -3.234 583 2HG1 ILE 81 1HG1 ILE 81 -4.000 -1.627 -2.073 584 1HG2 ILE 81 1HG2 ILE 81 -4.870 -3.854 0.726 585 2HG2 ILE 81 2HG2 ILE 81 -4.731 -2.177 0.205 586 3HG2 ILE 81 3HG2 ILE 81 -3.279 -3.134 0.493 587 1HD1 ILE 81 1HD1 ILE 81 -1.605 -3.447 -2.014 588 2HD1 ILE 81 2HD1 ILE 81 -1.962 -2.174 -0.847 589 3HD1 ILE 81 3HD1 ILE 81 -1.622 -1.760 -2.528 590 H SER 82 H SER 82 -5.294 -6.686 -2.466 591 HA SER 82 HA SER 82 -6.736 -7.523 -0.213 592 1HB SER 82 2HB SER 82 -7.375 -7.951 -2.608 593 2HB SER 82 1HB SER 82 -6.115 -9.187 -2.671 594 HG SER 82 HG SER 82 -8.353 -9.877 -2.176 595 H THR 83 H THR 83 -6.340 -8.972 1.358 596 HA THR 83 HA THR 83 -3.591 -9.616 1.822 597 HB THR 83 HB THR 83 -4.777 -10.724 3.929 598 HG1 THR 83 1HG THR 83 -6.666 -8.737 3.669 599 1HG2 THR 83 1HG2 THR 83 -4.726 -8.494 5.004 600 2HG2 THR 83 2HG2 THR 83 -4.556 -7.756 3.410 601 3HG2 THR 83 3HG2 THR 83 -3.289 -8.813 4.033 602 H SER 84 H SER 84 -4.722 -11.069 -0.391 603 HA SER 84 HA SER 84 -4.745 -13.820 0.628 604 1HB SER 84 2HB SER 84 -5.640 -14.362 -1.672 605 2HB SER 84 1HB SER 84 -6.692 -13.344 -0.683 606 HG SER 84 HG SER 84 -5.064 -12.620 -2.885 607 H THR 85 H THR 85 -2.747 -11.560 -0.889 608 HA THR 85 HA THR 85 -1.285 -13.470 -2.494 609 HB THR 85 HB THR 85 -1.538 -11.162 -3.298 610 HG1 THR 85 1HG THR 85 0.637 -12.558 -3.378 611 1HG2 THR 85 1HG2 THR 85 -0.319 -9.317 -2.257 612 2HG2 THR 85 2HG2 THR 85 0.188 -10.385 -0.948 613 3HG2 THR 85 3HG2 THR 85 -1.518 -9.991 -1.150 614 H ASN 86 H ASN 86 0.830 -14.172 -2.117 615 HA ASN 86 HA ASN 86 1.574 -14.177 0.717 616 1HB ASN 86 2HB ASN 86 1.365 -16.377 -0.299 617 2HB ASN 86 1HB ASN 86 2.490 -15.923 -1.581 618 1HD2 ASN 86 1HD2 ASN 86 3.815 -17.670 -1.043 619 2HD2 ASN 86 2HD2 ASN 86 4.845 -17.629 0.357 620 H CYS 87 H CYS 87 2.708 -12.414 1.133 621 HA CYS 87 HA CYS 87 4.321 -11.026 -0.718 622 1HB CYS 87 2HB CYS 87 4.359 -10.842 2.301 623 2HB CYS 87 1HB CYS 87 4.917 -9.618 1.165 624 H ASN 88 H ASN 88 5.019 -13.726 1.292 625 HA ASN 88 HA ASN 88 7.846 -13.152 1.496 626 1HB ASN 88 2HB ASN 88 6.333 -15.672 2.212 627 2HB ASN 88 1HB ASN 88 7.992 -15.293 2.666 628 1HD2 ASN 88 1HD2 ASN 88 8.378 -13.661 4.191 629 2HD2 ASN 88 2HD2 ASN 88 7.132 -13.144 5.287 630 H SER 89 H SER 89 6.135 -13.870 -1.065 631 HA SER 89 HA SER 89 8.309 -15.304 -2.335 632 1HB SER 89 2HB SER 89 5.459 -16.337 -2.395 633 2HB SER 89 1HB SER 89 6.793 -16.967 -3.361 634 HG SER 89 HG SER 89 7.552 -16.901 -0.805 635 H ILE 90 H ILE 90 6.763 -12.655 -2.297 636 HA ILE 90 HA ILE 90 5.761 -12.528 -5.006 637 HB ILE 90 HB ILE 90 5.449 -10.126 -4.621 638 1HG1 ILE 90 2HG1 ILE 90 6.532 -10.661 -1.849 639 2HG1 ILE 90 1HG1 ILE 90 7.399 -9.805 -3.126 640 1HG2 ILE 90 1HG2 ILE 90 4.353 -11.870 -2.425 641 2HG2 ILE 90 2HG2 ILE 90 3.644 -11.605 -4.020 642 3HG2 ILE 90 3HG2 ILE 90 3.736 -10.275 -2.861 643 1HD1 ILE 90 1HD1 ILE 90 4.832 -8.939 -1.815 644 2HD1 ILE 90 2HD1 ILE 90 5.644 -8.091 -3.132 645 3HD1 ILE 90 3HD1 ILE 90 6.434 -8.244 -1.561 646 H ASN 91 H ASN 91 6.564 -10.727 -6.362 647 HA ASN 91 HA ASN 91 9.089 -9.576 -6.186 648 1HB ASN 91 2HB ASN 91 9.876 -11.958 -6.400 649 2HB ASN 91 1HB ASN 91 9.109 -12.017 -7.987 650 1HD2 ASN 91 1HD2 ASN 91 11.720 -10.733 -6.112 651 2HD2 ASN 91 2HD2 ASN 91 12.657 -10.139 -7.436 Start of MODEL 8 1 1H MET 1 1HT MET 1 14.222 -0.284 4.406 2 2H MET 1 2HT MET 1 13.476 1.236 4.341 3 3H MET 1 3HT MET 1 13.492 0.239 2.967 4 HA MET 1 HA MET 1 11.328 0.256 4.076 5 1HB MET 1 2HB MET 1 11.846 -1.699 2.785 6 2HB MET 1 1HB MET 1 12.883 -2.337 4.057 7 1HG MET 1 2HG MET 1 10.791 -3.535 3.999 8 2HG MET 1 1HG MET 1 10.932 -2.624 5.505 9 1HE MET 1 1HE MET 1 8.257 -3.748 4.992 10 2HE MET 1 2HE MET 1 7.124 -2.401 5.045 11 3HE MET 1 3HE MET 1 8.426 -2.500 6.231 12 H THR 2 H THR 2 10.191 0.265 5.733 13 HA THR 2 HA THR 2 10.754 -1.292 8.050 14 HB THR 2 HB THR 2 11.934 0.687 8.790 15 HG1 THR 2 1HG THR 2 10.889 0.841 10.650 16 1HG2 THR 2 1HG2 THR 2 11.064 2.294 7.177 17 2HG2 THR 2 2HG2 THR 2 10.885 2.913 8.819 18 3HG2 THR 2 3HG2 THR 2 9.488 2.256 7.967 19 H CYS 3 H CYS 3 8.722 -1.302 9.419 20 HA CYS 3 HA CYS 3 6.475 -1.363 7.649 21 1HB CYS 3 2HB CYS 3 6.947 -2.830 9.743 22 2HB CYS 3 1HB CYS 3 6.225 -1.496 10.636 23 H GLY 4 H GLY 4 8.036 1.161 8.721 24 1HA GLY 4 2HA GLY 4 5.642 2.842 9.120 25 2HA GLY 4 1HA GLY 4 7.297 3.321 9.491 26 H GLN 5 H GLN 5 8.041 1.890 6.897 27 HA GLN 5 HA GLN 5 7.928 4.135 5.141 28 1HB GLN 5 2HB GLN 5 9.779 2.500 5.077 29 2HB GLN 5 1HB GLN 5 8.651 1.244 4.595 30 1HG GLN 5 2HG GLN 5 8.209 2.444 2.512 31 2HG GLN 5 1HG GLN 5 9.348 3.698 2.998 32 1HE2 GLN 5 1HE2 GLN 5 8.988 0.412 1.873 33 2HE2 GLN 5 2HE2 GLN 5 10.658 0.172 1.462 34 H VAL 6 H VAL 6 6.356 0.966 5.278 35 HA VAL 6 HA VAL 6 4.584 1.389 3.103 36 HB VAL 6 HB VAL 6 4.376 -0.422 5.521 37 1HG1 VAL 6 1HG1 VAL 6 2.591 -1.600 4.345 38 2HG1 VAL 6 2HG1 VAL 6 2.620 -0.387 3.065 39 3HG1 VAL 6 3HG1 VAL 6 2.123 0.063 4.696 40 1HG2 VAL 6 1HG2 VAL 6 4.914 -2.166 3.892 41 2HG2 VAL 6 2HG2 VAL 6 6.179 -0.941 3.988 42 3HG2 VAL 6 3HG2 VAL 6 5.046 -0.936 2.635 43 H GLN 7 H GLN 7 4.446 2.226 6.523 44 HA GLN 7 HA GLN 7 1.792 3.108 6.622 45 1HB GLN 7 2HB GLN 7 4.267 3.834 8.136 46 2HB GLN 7 1HB GLN 7 2.819 4.819 8.335 47 1HG GLN 7 2HG GLN 7 1.569 2.846 9.028 48 2HG GLN 7 1HG GLN 7 3.012 1.854 8.813 49 1HE2 GLN 7 1HE2 GLN 7 1.493 4.328 10.741 50 2HE2 GLN 7 2HE2 GLN 7 2.560 4.196 12.099 51 H GLY 8 H GLY 8 4.749 4.756 5.552 52 1HA GLY 8 2HA GLY 8 3.515 7.245 5.062 53 2HA GLY 8 1HA GLY 8 4.993 6.681 4.316 54 H ASN 9 H ASN 9 3.164 4.288 3.458 55 HA ASN 9 HA ASN 9 2.136 5.460 1.004 56 1HB ASN 9 2HB ASN 9 3.297 3.287 0.909 57 2HB ASN 9 1HB ASN 9 2.123 2.602 2.016 58 1HD2 ASN 9 1HD2 ASN 9 2.870 1.820 -0.693 59 2HD2 ASN 9 2HD2 ASN 9 1.403 1.830 -1.611 60 H LEU 10 H LEU 10 0.843 3.364 3.571 61 HA LEU 10 HA LEU 10 -1.831 3.841 2.567 62 1HB LEU 10 2HB LEU 10 -0.740 1.950 4.642 63 2HB LEU 10 1HB LEU 10 -2.432 2.017 4.170 64 HG LEU 10 HG LEU 10 -0.117 1.332 2.357 65 1HD1 LEU 10 1HD1 LEU 10 -0.603 -0.429 3.950 66 2HD1 LEU 10 2HD1 LEU 10 -1.091 -0.900 2.322 67 3HD1 LEU 10 3HD1 LEU 10 -2.306 -0.392 3.498 68 1HD2 LEU 10 1HD2 LEU 10 -1.858 0.773 0.724 69 2HD2 LEU 10 2HD2 LEU 10 -1.862 2.488 1.146 70 3HD2 LEU 10 3HD2 LEU 10 -3.080 1.406 1.828 71 H ALA 11 H ALA 11 0.072 5.121 5.106 72 HA ALA 11 HA ALA 11 -2.117 5.531 6.940 73 1HB ALA 11 1HB ALA 11 0.670 6.691 6.911 74 2HB ALA 11 2HB ALA 11 0.096 5.314 7.859 75 3HB ALA 11 3HB ALA 11 -0.511 6.935 8.204 76 H GLN 12 H GLN 12 -0.955 7.140 4.160 77 HA GLN 12 HA GLN 12 -2.092 9.704 4.907 78 1HB GLN 12 2HB GLN 12 -1.145 8.862 2.160 79 2HB GLN 12 1HB GLN 12 -1.360 10.500 2.756 80 1HG GLN 12 2HG GLN 12 0.474 10.097 4.360 81 2HG GLN 12 1HG GLN 12 0.738 8.526 3.615 82 1HE2 GLN 12 1HE2 GLN 12 1.085 11.951 3.308 83 2HE2 GLN 12 2HE2 GLN 12 2.088 11.932 1.895 84 H CYS 13 H CYS 13 -2.834 7.013 2.782 85 HA CYS 13 HA CYS 13 -5.322 8.268 1.994 86 1HB CYS 13 2HB CYS 13 -3.722 5.969 1.047 87 2HB CYS 13 1HB CYS 13 -5.464 5.898 0.781 88 H ILE 14 H ILE 14 -4.344 6.454 4.581 89 HA ILE 14 HA ILE 14 -6.331 4.588 4.970 90 HB ILE 14 HB ILE 14 -4.273 5.075 6.416 91 1HG1 ILE 14 2HG1 ILE 14 -6.910 4.562 7.798 92 2HG1 ILE 14 1HG1 ILE 14 -5.991 3.379 6.874 93 1HG2 ILE 14 1HG2 ILE 14 -4.699 7.416 6.904 94 2HG2 ILE 14 2HG2 ILE 14 -4.654 6.479 8.398 95 3HG2 ILE 14 3HG2 ILE 14 -6.202 6.992 7.725 96 1HD1 ILE 14 1HD1 ILE 14 -5.674 3.110 9.282 97 2HD1 ILE 14 2HD1 ILE 14 -5.043 4.754 9.377 98 3HD1 ILE 14 3HD1 ILE 14 -4.165 3.523 8.467 99 H GLY 15 H GLY 15 -6.508 8.083 5.154 100 1HA GLY 15 2HA GLY 15 -8.965 8.352 6.525 101 2HA GLY 15 1HA GLY 15 -8.338 9.471 5.327 102 H PHE 16 H PHE 16 -8.506 8.654 3.032 103 HA PHE 16 HA PHE 16 -11.119 8.216 2.209 104 1HB PHE 16 2HB PHE 16 -9.635 9.041 0.603 105 2HB PHE 16 1HB PHE 16 -8.418 7.818 0.970 106 HD1 PHE 16 1HD PHE 16 -11.579 8.495 -0.794 107 HD2 PHE 16 2HD PHE 16 -8.444 5.689 -0.140 108 HE1 PHE 16 1HE PHE 16 -12.349 7.183 -2.728 109 HE2 PHE 16 2HE PHE 16 -9.207 4.379 -2.074 110 HZ PHE 16 HZ PHE 16 -11.161 5.126 -3.371 111 H LEU 17 H LEU 17 -8.539 5.974 2.861 112 HA LEU 17 HA LEU 17 -9.613 3.544 2.094 113 1HB LEU 17 2HB LEU 17 -7.529 4.604 3.807 114 2HB LEU 17 1HB LEU 17 -8.174 3.094 4.445 115 HG LEU 17 HG LEU 17 -7.467 1.896 2.551 116 1HD1 LEU 17 1HD1 LEU 17 -6.838 4.513 1.200 117 2HD1 LEU 17 2HD1 LEU 17 -8.205 3.466 0.820 118 3HD1 LEU 17 3HD1 LEU 17 -6.560 2.907 0.528 119 1HD2 LEU 17 1HD2 LEU 17 -5.075 2.363 2.417 120 2HD2 LEU 17 2HD2 LEU 17 -5.673 2.434 4.074 121 3HD2 LEU 17 3HD2 LEU 17 -5.348 3.924 3.189 122 H GLN 18 H GLN 18 -10.041 5.341 5.116 123 HA GLN 18 HA GLN 18 -11.720 3.269 6.242 124 1HB GLN 18 2HB GLN 18 -10.321 4.192 7.847 125 2HB GLN 18 1HB GLN 18 -10.504 5.823 7.216 126 1HG GLN 18 2HG GLN 18 -12.845 5.806 8.031 127 2HG GLN 18 1HG GLN 18 -12.512 4.250 8.795 128 1HE2 GLN 18 1HE2 GLN 18 -11.193 4.167 10.574 129 2HE2 GLN 18 2HE2 GLN 18 -10.730 5.574 11.476 130 H LYS 19 H LYS 19 -12.081 6.786 5.595 131 HA LYS 19 HA LYS 19 -14.923 6.500 6.183 132 1HB LYS 19 2HB LYS 19 -13.334 8.234 7.211 133 2HB LYS 19 1HB LYS 19 -13.441 9.061 5.663 134 1HG LYS 19 2HG LYS 19 -14.979 10.031 7.226 135 2HG LYS 19 1HG LYS 19 -15.869 9.218 5.939 136 1HD LYS 19 2HD LYS 19 -16.846 8.785 8.160 137 2HD LYS 19 1HD LYS 19 -16.273 7.307 7.384 138 1HE LYS 19 2HE LYS 19 -15.654 7.307 9.724 139 2HE LYS 19 1HE LYS 19 -14.212 7.425 8.720 140 1HZ LYS 19 1HZ LYS 19 -15.545 9.672 10.137 141 2HZ LYS 19 2HZ LYS 19 -14.177 9.821 9.141 142 3HZ LYS 19 3HZ LYS 19 -14.084 8.935 10.584 143 H GLY 20 H GLY 20 -12.835 6.924 3.492 144 1HA GLY 20 2HA GLY 20 -13.390 6.896 1.238 145 2HA GLY 20 1HA GLY 20 -15.089 6.981 1.688 146 H GLY 21 H GLY 21 -12.231 8.792 0.911 147 1HA GLY 21 2HA GLY 21 -13.931 11.159 0.505 148 2HA GLY 21 1HA GLY 21 -12.393 11.328 1.344 149 H VAL 22 H VAL 22 -10.691 11.823 0.185 150 HA VAL 22 HA VAL 22 -10.732 11.212 -2.689 151 HB VAL 22 HB VAL 22 -9.739 13.380 -3.180 152 1HG1 VAL 22 1HG1 VAL 22 -11.709 14.813 -2.666 153 2HG1 VAL 22 2HG1 VAL 22 -12.318 13.511 -1.640 154 3HG1 VAL 22 3HG1 VAL 22 -12.116 13.251 -3.374 155 1HG2 VAL 22 1HG2 VAL 22 -10.139 13.996 -0.261 156 2HG2 VAL 22 2HG2 VAL 22 -9.628 15.151 -1.492 157 3HG2 VAL 22 3HG2 VAL 22 -8.589 13.787 -1.075 158 H VAL 23 H VAL 23 -8.609 11.153 -3.683 159 HA VAL 23 HA VAL 23 -6.559 10.308 -1.753 160 HB VAL 23 HB VAL 23 -6.900 9.529 -4.647 161 1HG1 VAL 23 1HG1 VAL 23 -4.538 9.632 -4.073 162 2HG1 VAL 23 2HG1 VAL 23 -5.058 7.955 -4.241 163 3HG1 VAL 23 3HG1 VAL 23 -4.828 8.650 -2.637 164 1HG2 VAL 23 1HG2 VAL 23 -8.531 8.487 -3.201 165 2HG2 VAL 23 2HG2 VAL 23 -7.260 7.991 -2.086 166 3HG2 VAL 23 3HG2 VAL 23 -7.333 7.293 -3.703 167 HA PRO 24 HA PRO 24 -4.498 13.976 -3.270 168 1HB PRO 24 2HB PRO 24 -2.685 13.739 -1.065 169 2HB PRO 24 1HB PRO 24 -4.047 14.847 -1.229 170 1HG PRO 24 2HG PRO 24 -3.920 12.792 0.605 171 2HG PRO 24 1HG PRO 24 -5.430 13.518 0.014 172 1HD PRO 24 2HD PRO 24 -4.079 10.987 -0.844 173 2HD PRO 24 1HD PRO 24 -5.809 11.319 -0.594 174 HA PRO 25 HA PRO 25 -0.931 12.331 -5.380 175 1HB PRO 25 2HB PRO 25 0.590 14.626 -5.479 176 2HB PRO 25 1HB PRO 25 -0.716 14.238 -6.607 177 1HG PRO 25 2HG PRO 25 -0.741 16.020 -4.211 178 2HG PRO 25 1HG PRO 25 -1.528 16.242 -5.785 179 1HD PRO 25 2HD PRO 25 -2.891 15.443 -3.604 180 2HD PRO 25 1HD PRO 25 -3.303 14.869 -5.233 181 H SER 26 H SER 26 -0.872 13.704 -2.289 182 HA SER 26 HA SER 26 1.882 13.393 -1.630 183 1HB SER 26 2HB SER 26 -0.465 13.328 0.277 184 2HB SER 26 1HB SER 26 1.186 13.868 0.609 185 HG SER 26 HG SER 26 0.760 15.759 -0.249 186 H CYS 27 H CYS 27 -1.030 11.661 -0.637 187 HA CYS 27 HA CYS 27 0.073 9.303 0.294 188 1HB CYS 27 2HB CYS 27 -2.216 9.535 0.649 189 2HB CYS 27 1HB CYS 27 -2.528 10.021 -1.017 190 H CYS 28 H CYS 28 -0.855 10.241 -3.008 191 HA CYS 28 HA CYS 28 -0.259 7.816 -4.228 192 1HB CYS 28 2HB CYS 28 -0.483 10.605 -5.259 193 2HB CYS 28 1HB CYS 28 0.059 9.306 -6.325 194 H THR 29 H THR 29 1.839 10.370 -3.207 195 HA THR 29 HA THR 29 4.090 9.380 -4.684 196 HB THR 29 HB THR 29 3.976 11.302 -2.340 197 HG1 THR 29 1HG THR 29 2.955 12.101 -4.223 198 1HG2 THR 29 1HG2 THR 29 6.246 10.726 -4.251 199 2HG2 THR 29 2HG2 THR 29 6.183 10.241 -2.557 200 3HG2 THR 29 3HG2 THR 29 6.242 11.951 -2.982 201 H GLY 30 H GLY 30 2.720 8.985 -1.464 202 1HA GLY 30 2HA GLY 30 4.824 7.435 -0.356 203 2HA GLY 30 1HA GLY 30 3.151 7.451 0.194 204 H VAL 31 H VAL 31 1.886 6.568 -2.143 205 HA VAL 31 HA VAL 31 2.274 3.774 -2.086 206 HB VAL 31 HB VAL 31 1.030 5.328 -4.368 207 1HG1 VAL 31 1HG1 VAL 31 0.565 2.515 -3.386 208 2HG1 VAL 31 2HG1 VAL 31 1.455 2.972 -4.839 209 3HG1 VAL 31 3HG1 VAL 31 -0.275 3.294 -4.728 210 1HG2 VAL 31 1HG2 VAL 31 0.023 6.032 -2.257 211 2HG2 VAL 31 2HG2 VAL 31 -0.303 4.348 -1.847 212 3HG2 VAL 31 3HG2 VAL 31 -1.111 5.091 -3.227 213 H LYS 32 H LYS 32 3.223 6.233 -4.476 214 HA LYS 32 HA LYS 32 4.629 4.535 -6.189 215 1HB LYS 32 2HB LYS 32 4.036 6.824 -6.807 216 2HB LYS 32 1HB LYS 32 5.136 7.454 -5.591 217 1HG LYS 32 2HG LYS 32 6.091 7.600 -7.828 218 2HG LYS 32 1HG LYS 32 7.036 6.529 -6.792 219 1HD LYS 32 2HD LYS 32 6.834 5.497 -8.942 220 2HD LYS 32 1HD LYS 32 5.830 4.595 -7.807 221 1HE LYS 32 2HE LYS 32 4.581 4.850 -9.818 222 2HE LYS 32 1HE LYS 32 3.872 5.927 -8.617 223 1HZ LYS 32 1HZ LYS 32 5.719 6.707 -10.810 224 2HZ LYS 32 2HZ LYS 32 5.124 7.763 -9.620 225 3HZ LYS 32 3HZ LYS 32 4.058 7.042 -10.721 226 H ASN 33 H ASN 33 5.556 6.100 -3.190 227 HA ASN 33 HA ASN 33 8.303 5.594 -3.150 228 1HB ASN 33 2HB ASN 33 6.937 6.912 -1.447 229 2HB ASN 33 1HB ASN 33 6.467 5.351 -0.758 230 1HD2 ASN 33 1HD2 ASN 33 9.038 7.633 -1.207 231 2HD2 ASN 33 2HD2 ASN 33 10.132 6.929 -0.066 232 H ILE 34 H ILE 34 5.639 3.636 -1.867 233 HA ILE 34 HA ILE 34 7.211 1.428 -1.189 234 HB ILE 34 HB ILE 34 4.286 1.874 -1.610 235 1HG1 ILE 34 2HG1 ILE 34 5.024 2.849 0.369 236 2HG1 ILE 34 1HG1 ILE 34 4.374 1.298 0.893 237 1HG2 ILE 34 1HG2 ILE 34 4.648 -0.438 -2.247 238 2HG2 ILE 34 2HG2 ILE 34 3.761 -0.303 -0.724 239 3HG2 ILE 34 3HG2 ILE 34 5.473 -0.734 -0.713 240 1HD1 ILE 34 1HD1 ILE 34 6.994 2.368 1.229 241 2HD1 ILE 34 2HD1 ILE 34 7.093 0.865 0.321 242 3HD1 ILE 34 3HD1 ILE 34 6.299 0.894 1.899 243 H LEU 35 H LEU 35 6.187 2.474 -4.243 244 HA LEU 35 HA LEU 35 6.688 -0.096 -5.503 245 1HB LEU 35 2HB LEU 35 5.844 2.597 -6.430 246 2HB LEU 35 1HB LEU 35 6.720 1.604 -7.579 247 HG LEU 35 HG LEU 35 4.996 -0.197 -7.054 248 1HD1 LEU 35 1HD1 LEU 35 3.516 2.194 -5.996 249 2HD1 LEU 35 2HD1 LEU 35 4.021 0.778 -5.073 250 3HD1 LEU 35 3HD1 LEU 35 2.803 0.617 -6.340 251 1HD2 LEU 35 1HD2 LEU 35 3.443 0.722 -8.703 252 2HD2 LEU 35 2HD2 LEU 35 5.127 0.970 -9.168 253 3HD2 LEU 35 3HD2 LEU 35 4.189 2.308 -8.505 254 H ASN 36 H ASN 36 8.099 3.123 -5.816 255 HA ASN 36 HA ASN 36 10.421 2.143 -7.182 256 1HB ASN 36 2HB ASN 36 9.438 4.309 -7.737 257 2HB ASN 36 1HB ASN 36 9.770 4.894 -6.110 258 1HD2 ASN 36 1HD2 ASN 36 11.060 4.219 -9.224 259 2HD2 ASN 36 2HD2 ASN 36 12.631 4.891 -8.957 260 H SER 37 H SER 37 9.865 3.546 -3.967 261 HA SER 37 HA SER 37 12.688 3.612 -3.410 262 1HB SER 37 2HB SER 37 11.171 5.405 -2.623 263 2HB SER 37 1HB SER 37 10.363 4.233 -1.576 264 HG SER 37 HG SER 37 12.604 3.881 -0.719 265 H SER 38 H SER 38 10.176 1.304 -2.987 266 HA SER 38 HA SER 38 11.488 -0.130 -0.886 267 1HB SER 38 2HB SER 38 10.079 -2.051 -1.643 268 2HB SER 38 1HB SER 38 9.149 -0.596 -1.301 269 HG SER 38 HG SER 38 8.397 -0.831 -3.236 270 H ARG 39 H ARG 39 13.642 -0.455 -1.340 271 HA ARG 39 HA ARG 39 14.341 -0.709 -4.147 272 1HB ARG 39 2HB ARG 39 15.292 1.011 -2.452 273 2HB ARG 39 1HB ARG 39 16.331 -0.320 -1.946 274 1HG ARG 39 2HG ARG 39 17.453 1.081 -3.571 275 2HG ARG 39 1HG ARG 39 17.164 -0.530 -4.239 276 1HD ARG 39 2HD ARG 39 15.140 0.341 -5.353 277 2HD ARG 39 1HD ARG 39 15.530 1.950 -4.751 278 HE ARG 39 HE ARG 39 17.770 1.136 -6.105 279 1HH1 ARG 39 1HH1 ARG 39 14.374 1.572 -6.870 280 2HH1 ARG 39 2HH1 ARG 39 14.659 1.924 -8.543 281 1HH2 ARG 39 1HH2 ARG 39 18.148 1.607 -8.305 282 2HH2 ARG 39 2HH2 ARG 39 16.814 1.960 -9.362 283 H THR 40 H THR 40 15.646 -2.153 -1.155 284 HA THR 40 HA THR 40 17.086 -4.040 -2.810 285 HB THR 40 HB THR 40 18.223 -4.677 -0.731 286 HG1 THR 40 1HG THR 40 17.403 -2.834 0.960 287 1HG2 THR 40 1HG2 THR 40 19.293 -2.517 -0.272 288 2HG2 THR 40 2HG2 THR 40 17.973 -1.690 -1.101 289 3HG2 THR 40 3HG2 THR 40 19.050 -2.755 -2.004 290 H THR 41 H THR 41 17.323 -6.305 -1.518 291 HA THR 41 HA THR 41 14.851 -7.636 -1.872 292 HB THR 41 HB THR 41 17.242 -8.632 -0.328 293 HG1 THR 41 1HG THR 41 17.738 -7.888 -2.515 294 1HG2 THR 41 1HG2 THR 41 15.087 -10.118 -1.843 295 2HG2 THR 41 2HG2 THR 41 15.197 -9.988 -0.087 296 3HG2 THR 41 3HG2 THR 41 16.447 -10.848 -0.988 297 H ALA 42 H ALA 42 16.658 -6.566 0.987 298 HA ALA 42 HA ALA 42 14.832 -7.584 2.896 299 1HB ALA 42 1HB ALA 42 17.138 -6.911 3.444 300 2HB ALA 42 2HB ALA 42 15.947 -6.135 4.491 301 3HB ALA 42 3HB ALA 42 16.692 -5.226 3.176 302 H ASP 43 H ASP 43 14.734 -4.908 0.792 303 HA ASP 43 HA ASP 43 12.622 -3.537 2.259 304 1HB ASP 43 2HB ASP 43 14.194 -2.993 -0.217 305 2HB ASP 43 1HB ASP 43 12.596 -2.275 -0.100 306 H ARG 44 H ARG 44 13.011 -5.426 -0.687 307 HA ARG 44 HA ARG 44 10.138 -5.275 -1.190 308 1HB ARG 44 2HB ARG 44 12.240 -6.657 -2.865 309 2HB ARG 44 1HB ARG 44 10.603 -6.226 -3.352 310 1HG ARG 44 2HG ARG 44 11.267 -3.820 -3.008 311 2HG ARG 44 1HG ARG 44 12.927 -4.396 -2.840 312 1HD ARG 44 2HD ARG 44 12.768 -3.820 -5.091 313 2HD ARG 44 1HD ARG 44 12.535 -5.569 -5.087 314 HE ARG 44 HE ARG 44 10.185 -3.816 -5.060 315 1HH1 ARG 44 1HH1 ARG 44 12.160 -6.200 -6.718 316 2HH1 ARG 44 2HH1 ARG 44 11.006 -6.431 -7.996 317 1HH2 ARG 44 1HH2 ARG 44 8.687 -4.120 -6.719 318 2HH2 ARG 44 2HH2 ARG 44 9.028 -5.248 -8.008 319 H ARG 45 H ARG 45 11.620 -6.887 0.939 320 HA ARG 45 HA ARG 45 9.772 -9.132 0.745 321 1HB ARG 45 2HB ARG 45 12.214 -9.780 0.005 322 2HB ARG 45 1HB ARG 45 12.610 -9.602 1.707 323 1HG ARG 45 2HG ARG 45 12.155 -11.816 1.679 324 2HG ARG 45 1HG ARG 45 10.519 -11.203 1.958 325 1HD ARG 45 2HD ARG 45 10.355 -12.820 0.231 326 2HD ARG 45 1HD ARG 45 10.198 -11.226 -0.514 327 HE ARG 45 HE ARG 45 12.592 -12.941 -0.650 328 1HH1 ARG 45 1HH1 ARG 45 10.659 -10.270 -1.839 329 2HH1 ARG 45 2HH1 ARG 45 11.592 -10.072 -3.289 330 1HH2 ARG 45 1HH2 ARG 45 13.843 -12.671 -2.550 331 2HH2 ARG 45 2HH2 ARG 45 13.407 -11.440 -3.694 332 H ALA 46 H ALA 46 9.431 -6.925 1.965 333 HA ALA 46 HA ALA 46 8.954 -7.725 4.653 334 1HB ALA 46 1HB ALA 46 10.050 -5.829 5.754 335 2HB ALA 46 2HB ALA 46 10.736 -5.324 4.210 336 3HB ALA 46 3HB ALA 46 11.231 -6.855 4.936 337 H VAL 47 H VAL 47 8.922 -5.321 2.122 338 HA VAL 47 HA VAL 47 7.011 -3.589 3.187 339 HB VAL 47 HB VAL 47 8.449 -2.966 1.318 340 1HG1 VAL 47 1HG1 VAL 47 8.044 -3.725 -0.942 341 2HG1 VAL 47 2HG1 VAL 47 6.787 -4.821 -0.368 342 3HG1 VAL 47 3HG1 VAL 47 8.468 -5.082 0.101 343 1HG2 VAL 47 1HG2 VAL 47 6.405 -1.711 1.656 344 2HG2 VAL 47 2HG2 VAL 47 5.521 -2.843 0.630 345 3HG2 VAL 47 3HG2 VAL 47 6.780 -1.822 -0.065 346 H CYS 48 H CYS 48 6.597 -6.555 1.236 347 HA CYS 48 HA CYS 48 3.770 -6.121 0.916 348 1HB CYS 48 2HB CYS 48 5.247 -7.601 -0.542 349 2HB CYS 48 1HB CYS 48 5.184 -8.789 0.756 350 H SER 49 H SER 49 5.835 -7.925 3.153 351 HA SER 49 HA SER 49 3.888 -9.114 4.745 352 1HB SER 49 2HB SER 49 6.454 -7.799 5.681 353 2HB SER 49 1HB SER 49 5.529 -9.008 6.570 354 HG SER 49 HG SER 49 6.863 -9.352 4.071 355 H CYS 50 H CYS 50 5.246 -5.831 5.094 356 HA CYS 50 HA CYS 50 3.501 -5.158 7.254 357 1HB CYS 50 2HB CYS 50 5.716 -4.111 7.002 358 2HB CYS 50 1HB CYS 50 5.200 -3.376 5.490 359 H LEU 51 H LEU 51 3.400 -4.756 3.783 360 HA LEU 51 HA LEU 51 1.500 -2.775 3.476 361 1HB LEU 51 2HB LEU 51 2.801 -3.951 1.677 362 2HB LEU 51 1HB LEU 51 1.681 -5.290 1.819 363 HG LEU 51 HG LEU 51 -0.166 -3.752 1.168 364 1HD1 LEU 51 1HD1 LEU 51 2.076 -1.831 0.561 365 2HD1 LEU 51 2HD1 LEU 51 0.920 -1.657 1.881 366 3HD1 LEU 51 3HD1 LEU 51 0.364 -1.594 0.209 367 1HD2 LEU 51 1HD2 LEU 51 0.480 -3.631 -1.204 368 2HD2 LEU 51 2HD2 LEU 51 0.868 -5.193 -0.480 369 3HD2 LEU 51 3HD2 LEU 51 2.142 -4.003 -0.750 370 H LYS 52 H LYS 52 1.002 -6.236 3.999 371 HA LYS 52 HA LYS 52 -1.815 -6.168 3.808 372 1HB LYS 52 2HB LYS 52 -0.101 -8.144 5.317 373 2HB LYS 52 1HB LYS 52 -1.765 -8.390 4.799 374 1HG LYS 52 2HG LYS 52 -0.935 -8.079 2.435 375 2HG LYS 52 1HG LYS 52 0.698 -8.171 3.100 376 1HD LYS 52 2HD LYS 52 -1.443 -10.298 3.256 377 2HD LYS 52 1HD LYS 52 0.029 -10.351 2.288 378 1HE LYS 52 2HE LYS 52 -0.184 -10.376 5.293 379 2HE LYS 52 1HE LYS 52 0.349 -11.693 4.249 380 1HZ LYS 52 1HZ LYS 52 2.219 -10.237 3.564 381 2HZ LYS 52 2HZ LYS 52 2.260 -10.678 5.199 382 3HZ LYS 52 3HZ LYS 52 1.747 -9.128 4.752 383 H ALA 53 H ALA 53 0.395 -5.856 6.561 384 HA ALA 53 HA ALA 53 -1.686 -5.927 8.507 385 1HB ALA 53 1HB ALA 53 -0.002 -5.157 10.089 386 2HB ALA 53 2HB ALA 53 1.117 -4.852 8.758 387 3HB ALA 53 3HB ALA 53 0.598 -6.498 9.115 388 H ALA 54 H ALA 54 -0.016 -3.368 6.762 389 HA ALA 54 HA ALA 54 -1.087 -1.227 8.283 390 1HB ALA 54 1HB ALA 54 -0.330 0.197 6.430 391 2HB ALA 54 2HB ALA 54 0.006 -1.248 5.476 392 3HB ALA 54 3HB ALA 54 0.914 -0.937 6.953 393 H ALA 55 H ALA 55 -2.069 -2.721 5.204 394 HA ALA 55 HA ALA 55 -4.325 -1.011 4.841 395 1HB ALA 55 1HB ALA 55 -3.255 -2.153 2.964 396 2HB ALA 55 2HB ALA 55 -4.968 -2.566 3.073 397 3HB ALA 55 3HB ALA 55 -3.749 -3.713 3.628 398 H GLY 56 H GLY 56 -3.743 -3.923 6.622 399 1HA GLY 56 2HA GLY 56 -6.607 -4.354 7.055 400 2HA GLY 56 1HA GLY 56 -5.305 -5.427 7.563 401 H ALA 57 H ALA 57 -4.360 -2.374 8.324 402 HA ALA 57 HA ALA 57 -4.934 -2.763 11.136 403 1HB ALA 57 1HB ALA 57 -2.722 -1.992 10.461 404 2HB ALA 57 2HB ALA 57 -3.517 -0.791 11.480 405 3HB ALA 57 3HB ALA 57 -3.431 -0.550 9.737 406 H VAL 58 H VAL 58 -6.585 -1.522 8.620 407 HA VAL 58 HA VAL 58 -7.459 0.999 9.556 408 HB VAL 58 HB VAL 58 -9.199 0.827 7.810 409 1HG1 VAL 58 1HG1 VAL 58 -6.427 0.051 6.911 410 2HG1 VAL 58 2HG1 VAL 58 -6.972 1.684 7.287 411 3HG1 VAL 58 3HG1 VAL 58 -7.661 0.819 5.915 412 1HG2 VAL 58 1HG2 VAL 58 -9.631 -1.568 7.939 413 2HG2 VAL 58 2HG2 VAL 58 -8.012 -1.906 7.331 414 3HG2 VAL 58 3HG2 VAL 58 -9.191 -1.099 6.299 415 H ARG 59 H ARG 59 -9.870 1.414 9.678 416 HA ARG 59 HA ARG 59 -11.403 -0.600 11.087 417 1HB ARG 59 2HB ARG 59 -11.975 0.984 12.922 418 2HB ARG 59 1HB ARG 59 -10.286 0.500 12.939 419 1HG ARG 59 2HG ARG 59 -9.686 2.624 11.857 420 2HG ARG 59 1HG ARG 59 -11.382 3.107 11.913 421 1HD ARG 59 2HD ARG 59 -9.627 2.485 14.284 422 2HD ARG 59 1HD ARG 59 -10.127 4.091 13.756 423 HE ARG 59 HE ARG 59 -12.405 2.475 14.211 424 1HH1 ARG 59 1HH1 ARG 59 -9.891 4.223 15.917 425 2HH1 ARG 59 2HH1 ARG 59 -10.827 4.399 17.373 426 1HH2 ARG 59 1HH2 ARG 59 -13.634 2.710 16.116 427 2HH2 ARG 59 2HH2 ARG 59 -12.951 3.525 17.487 428 H GLY 60 H GLY 60 -13.635 -0.259 10.791 429 1HA GLY 60 2HA GLY 60 -15.437 0.589 9.537 430 2HA GLY 60 1HA GLY 60 -14.389 1.888 8.950 431 H ILE 61 H ILE 61 -12.244 0.425 8.130 432 HA ILE 61 HA ILE 61 -11.315 -1.207 6.881 433 HB ILE 61 HB ILE 61 -14.058 -2.374 6.409 434 1HG1 ILE 61 2HG1 ILE 61 -13.649 -2.279 8.813 435 2HG1 ILE 61 1HG1 ILE 61 -13.485 -3.940 8.250 436 1HG2 ILE 61 1HG2 ILE 61 -12.783 -4.428 5.967 437 2HG2 ILE 61 2HG2 ILE 61 -11.282 -3.526 6.193 438 3HG2 ILE 61 3HG2 ILE 61 -12.357 -3.128 4.851 439 1HD1 ILE 61 1HD1 ILE 61 -11.764 -3.321 9.878 440 2HD1 ILE 61 2HD1 ILE 61 -11.199 -2.059 8.783 441 3HD1 ILE 61 3HD1 ILE 61 -11.076 -3.753 8.313 442 H ASN 62 H ASN 62 -10.634 -1.265 4.869 443 HA ASN 62 HA ASN 62 -12.183 0.189 2.846 444 1HB ASN 62 2HB ASN 62 -9.864 0.101 1.637 445 2HB ASN 62 1HB ASN 62 -10.146 1.268 2.923 446 1HD2 ASN 62 1HD2 ASN 62 -9.437 -2.213 3.202 447 2HD2 ASN 62 2HD2 ASN 62 -7.947 -1.999 4.075 448 HA PRO 63 HA PRO 63 -12.395 -3.987 1.016 449 1HB PRO 63 2HB PRO 63 -15.052 -3.274 0.131 450 2HB PRO 63 1HB PRO 63 -14.579 -4.543 1.269 451 1HG PRO 63 2HG PRO 63 -15.972 -2.291 1.984 452 2HG PRO 63 1HG PRO 63 -14.943 -3.213 3.093 453 1HD PRO 63 2HD PRO 63 -14.351 -0.672 1.625 454 2HD PRO 63 1HD PRO 63 -13.925 -1.141 3.286 455 H ASN 64 H ASN 64 -14.169 -1.236 -0.396 456 HA ASN 64 HA ASN 64 -13.159 -1.853 -3.018 457 1HB ASN 64 2HB ASN 64 -15.427 -0.928 -2.682 458 2HB ASN 64 1HB ASN 64 -14.721 0.558 -2.059 459 1HD2 ASN 64 1HD2 ASN 64 -15.261 -1.407 -4.864 460 2HD2 ASN 64 2HD2 ASN 64 -14.875 -0.186 -6.039 461 H ASN 65 H ASN 65 -12.344 0.312 -0.412 462 HA ASN 65 HA ASN 65 -11.013 2.249 -2.013 463 1HB ASN 65 2HB ASN 65 -10.670 1.803 0.952 464 2HB ASN 65 1HB ASN 65 -10.394 3.287 0.051 465 1HD2 ASN 65 1HD2 ASN 65 -12.149 2.708 2.341 466 2HD2 ASN 65 2HD2 ASN 65 -13.734 3.187 1.838 467 H ALA 66 H ALA 66 -10.003 -0.654 -0.343 468 HA ALA 66 HA ALA 66 -7.219 -0.159 -0.376 469 1HB ALA 66 1HB ALA 66 -8.222 -1.869 1.062 470 2HB ALA 66 2HB ALA 66 -6.963 -2.551 0.032 471 3HB ALA 66 3HB ALA 66 -8.661 -2.811 -0.363 472 H GLU 67 H GLU 67 -9.367 -1.926 -2.579 473 HA GLU 67 HA GLU 67 -7.245 -2.470 -4.447 474 1HB GLU 67 2HB GLU 67 -9.261 -3.932 -4.086 475 2HB GLU 67 1HB GLU 67 -10.228 -2.700 -4.883 476 1HG GLU 67 2HG GLU 67 -9.682 -4.512 -6.401 477 2HG GLU 67 1HG GLU 67 -8.948 -2.998 -6.930 478 H ALA 68 H ALA 68 -9.065 0.238 -3.743 479 HA ALA 68 HA ALA 68 -9.268 1.258 -6.444 480 1HB ALA 68 1HB ALA 68 -9.826 2.617 -3.809 481 2HB ALA 68 2HB ALA 68 -11.009 1.770 -4.805 482 3HB ALA 68 3HB ALA 68 -10.242 3.238 -5.409 483 H LEU 69 H LEU 69 -7.246 1.723 -3.615 484 HA LEU 69 HA LEU 69 -6.072 4.143 -4.170 485 1HB LEU 69 2HB LEU 69 -5.767 2.997 -2.069 486 2HB LEU 69 1HB LEU 69 -4.833 1.737 -2.852 487 HG LEU 69 HG LEU 69 -3.049 3.316 -3.348 488 1HD1 LEU 69 1HD1 LEU 69 -4.795 5.342 -1.957 489 2HD1 LEU 69 2HD1 LEU 69 -4.377 5.322 -3.671 490 3HD1 LEU 69 3HD1 LEU 69 -3.125 5.602 -2.462 491 1HD2 LEU 69 1HD2 LEU 69 -2.322 3.785 -1.052 492 2HD2 LEU 69 2HD2 LEU 69 -2.969 2.153 -1.221 493 3HD2 LEU 69 3HD2 LEU 69 -3.946 3.416 -0.473 494 HA PRO 70 HA PRO 70 -2.434 1.995 -6.609 495 1HB PRO 70 2HB PRO 70 -3.148 -0.345 -7.873 496 2HB PRO 70 1HB PRO 70 -2.256 -0.267 -6.350 497 1HG PRO 70 2HG PRO 70 -5.179 -0.710 -6.815 498 2HG PRO 70 1HG PRO 70 -4.095 -1.510 -5.661 499 1HD PRO 70 2HD PRO 70 -5.783 0.421 -4.886 500 2HD PRO 70 1HD PRO 70 -4.162 0.273 -4.176 501 H GLY 71 H GLY 71 -5.802 1.746 -7.502 502 1HA GLY 71 2HA GLY 71 -5.401 2.222 -10.297 503 2HA GLY 71 1HA GLY 71 -6.924 2.349 -9.427 504 H LYS 72 H LYS 72 -6.247 4.242 -7.519 505 HA LYS 72 HA LYS 72 -6.749 6.640 -8.855 506 1HB LYS 72 2HB LYS 72 -5.489 6.435 -6.121 507 2HB LYS 72 1HB LYS 72 -6.541 7.700 -6.730 508 1HG LYS 72 2HG LYS 72 -7.394 4.857 -6.228 509 2HG LYS 72 1HG LYS 72 -7.641 6.201 -5.117 510 1HD LYS 72 2HD LYS 72 -8.738 6.030 -7.923 511 2HD LYS 72 1HD LYS 72 -9.650 5.702 -6.441 512 1HE LYS 72 2HE LYS 72 -9.177 8.016 -5.695 513 2HE LYS 72 1HE LYS 72 -8.382 8.312 -7.246 514 1HZ LYS 72 1HZ LYS 72 -10.681 9.105 -7.221 515 2HZ LYS 72 2HZ LYS 72 -11.233 7.532 -6.903 516 3HZ LYS 72 3HZ LYS 72 -10.461 7.880 -8.371 517 H CYS 73 H CYS 73 -3.717 5.380 -7.486 518 HA CYS 73 HA CYS 73 -2.304 7.785 -8.302 519 1HB CYS 73 2HB CYS 73 -1.283 5.342 -6.839 520 2HB CYS 73 1HB CYS 73 -0.406 6.866 -7.032 521 H GLY 74 H GLY 74 -3.239 5.204 -9.977 522 1HA GLY 74 2HA GLY 74 -2.693 4.563 -12.105 523 2HA GLY 74 1HA GLY 74 -1.501 5.856 -12.113 524 H VAL 75 H VAL 75 -1.551 3.184 -9.819 525 HA VAL 75 HA VAL 75 0.847 2.142 -11.150 526 HB VAL 75 HB VAL 75 1.761 1.542 -8.901 527 1HG1 VAL 75 1HG1 VAL 75 1.315 4.475 -9.441 528 2HG1 VAL 75 2HG1 VAL 75 2.588 3.466 -10.130 529 3HG1 VAL 75 3HG1 VAL 75 2.569 3.802 -8.398 530 1HG2 VAL 75 1HG2 VAL 75 -0.306 1.661 -7.598 531 2HG2 VAL 75 2HG2 VAL 75 -0.395 3.399 -7.886 532 3HG2 VAL 75 3HG2 VAL 75 0.931 2.727 -6.935 533 H ASN 76 H ASN 76 -0.671 0.734 -12.179 534 HA ASN 76 HA ASN 76 -1.972 -1.299 -10.626 535 1HB ASN 76 2HB ASN 76 -3.006 -0.714 -12.715 536 2HB ASN 76 1HB ASN 76 -1.512 -1.026 -13.601 537 1HD2 ASN 76 1HD2 ASN 76 -3.997 -2.571 -11.630 538 2HD2 ASN 76 2HD2 ASN 76 -3.869 -4.134 -12.372 539 H ILE 77 H ILE 77 -0.535 -2.318 -9.441 540 HA ILE 77 HA ILE 77 1.800 -3.559 -10.685 541 HB ILE 77 HB ILE 77 2.420 -4.082 -8.278 542 1HG1 ILE 77 2HG1 ILE 77 0.028 -2.295 -7.814 543 2HG1 ILE 77 1HG1 ILE 77 0.309 -3.906 -7.170 544 1HG2 ILE 77 1HG2 ILE 77 3.193 -1.787 -7.842 545 2HG2 ILE 77 2HG2 ILE 77 2.120 -1.199 -9.112 546 3HG2 ILE 77 3HG2 ILE 77 3.457 -2.275 -9.514 547 1HD1 ILE 77 1HD1 ILE 77 1.854 -1.430 -6.449 548 2HD1 ILE 77 2HD1 ILE 77 2.103 -3.045 -5.782 549 3HD1 ILE 77 3HD1 ILE 77 0.589 -2.188 -5.479 550 HA PRO 78 HA PRO 78 0.233 -7.631 -10.895 551 1HB PRO 78 2HB PRO 78 2.624 -8.580 -9.407 552 2HB PRO 78 1HB PRO 78 2.018 -9.062 -10.998 553 1HG PRO 78 2HG PRO 78 4.156 -7.498 -10.789 554 2HG PRO 78 1HG PRO 78 2.944 -7.210 -12.055 555 1HD PRO 78 2HD PRO 78 3.366 -5.762 -9.466 556 2HD PRO 78 1HD PRO 78 2.963 -5.111 -11.070 557 H TYR 79 H TYR 79 1.871 -7.296 -7.722 558 HA TYR 79 HA TYR 79 0.038 -9.121 -6.490 559 1HB TYR 79 2HB TYR 79 1.206 -8.445 -4.364 560 2HB TYR 79 1HB TYR 79 2.246 -9.123 -5.608 561 HD1 TYR 79 1HD TYR 79 1.039 -5.803 -4.381 562 HD2 TYR 79 2HD TYR 79 4.224 -8.048 -6.091 563 HE1 TYR 79 1HE TYR 79 2.521 -3.843 -4.193 564 HE2 TYR 79 2HE TYR 79 5.709 -6.098 -5.915 565 HH TYR 79 HH TYR 79 4.911 -3.330 -4.085 566 H LYS 80 H LYS 80 -0.961 -8.356 -4.276 567 HA LYS 80 HA LYS 80 -2.496 -5.950 -4.975 568 1HB LYS 80 2HB LYS 80 -3.453 -8.562 -3.844 569 2HB LYS 80 1HB LYS 80 -4.412 -7.092 -3.747 570 1HG LYS 80 2HG LYS 80 -3.493 -8.510 -6.232 571 2HG LYS 80 1HG LYS 80 -5.149 -8.319 -5.645 572 1HD LYS 80 2HD LYS 80 -4.930 -5.876 -5.921 573 2HD LYS 80 1HD LYS 80 -3.308 -6.117 -6.582 574 1HE LYS 80 2HE LYS 80 -4.222 -7.364 -8.443 575 2HE LYS 80 1HE LYS 80 -5.843 -7.264 -7.754 576 1HZ LYS 80 1HZ LYS 80 -4.202 -4.966 -8.675 577 2HZ LYS 80 2HZ LYS 80 -5.750 -4.856 -7.987 578 3HZ LYS 80 3HZ LYS 80 -5.540 -5.624 -9.491 579 H ILE 81 H ILE 81 -2.563 -4.387 -3.623 580 HA ILE 81 HA ILE 81 -1.455 -4.496 -0.996 581 HB ILE 81 HB ILE 81 -1.266 -2.464 -2.272 582 1HG1 ILE 81 2HG1 ILE 81 -1.889 -2.414 0.316 583 2HG1 ILE 81 1HG1 ILE 81 -1.653 -0.939 -0.610 584 1HG2 ILE 81 1HG2 ILE 81 -3.159 -2.680 -3.722 585 2HG2 ILE 81 2HG2 ILE 81 -3.231 -1.115 -2.911 586 3HG2 ILE 81 3HG2 ILE 81 -4.274 -2.433 -2.376 587 1HD1 ILE 81 1HD1 ILE 81 -4.301 -2.203 0.066 588 2HD1 ILE 81 2HD1 ILE 81 -4.077 -0.731 -0.875 589 3HD1 ILE 81 3HD1 ILE 81 -3.597 -0.773 0.822 590 H SER 82 H SER 82 -4.446 -5.258 -2.347 591 HA SER 82 HA SER 82 -6.205 -4.515 -0.248 592 1HB SER 82 2HB SER 82 -6.694 -6.636 -2.336 593 2HB SER 82 1HB SER 82 -7.875 -5.574 -1.554 594 HG SER 82 HG SER 82 -7.010 -5.069 -3.818 595 H THR 83 H THR 83 -3.936 -6.152 0.628 596 HA THR 83 HA THR 83 -3.426 -7.745 2.127 597 HB THR 83 HB THR 83 -5.132 -8.340 3.821 598 HG1 THR 83 1HG THR 83 -6.841 -7.471 1.889 599 1HG2 THR 83 1HG2 THR 83 -4.958 -5.418 3.103 600 2HG2 THR 83 2HG2 THR 83 -3.798 -6.330 4.069 601 3HG2 THR 83 3HG2 THR 83 -5.432 -6.057 4.676 602 H SER 84 H SER 84 -4.605 -8.610 -0.553 603 HA SER 84 HA SER 84 -4.765 -11.431 0.213 604 1HB SER 84 2HB SER 84 -7.061 -10.540 -0.341 605 2HB SER 84 1HB SER 84 -6.475 -10.219 -1.975 606 HG SER 84 HG SER 84 -6.179 -12.785 -0.854 607 H THR 85 H THR 85 -2.539 -11.429 -0.306 608 HA THR 85 HA THR 85 -2.069 -12.167 -3.036 609 HB THR 85 HB THR 85 -1.838 -9.618 -2.977 610 HG1 THR 85 1HG THR 85 -0.927 -10.910 -4.642 611 1HG2 THR 85 1HG2 THR 85 0.290 -8.736 -2.167 612 2HG2 THR 85 2HG2 THR 85 0.719 -10.324 -1.533 613 3HG2 THR 85 3HG2 THR 85 -0.643 -9.439 -0.847 614 H ASN 86 H ASN 86 0.112 -13.030 -3.337 615 HA ASN 86 HA ASN 86 0.961 -14.477 -0.990 616 1HB ASN 86 2HB ASN 86 0.818 -15.656 -3.106 617 2HB ASN 86 1HB ASN 86 1.947 -14.523 -3.848 618 1HD2 ASN 86 1HD2 ASN 86 3.483 -16.010 -4.384 619 2HD2 ASN 86 2HD2 ASN 86 4.434 -16.873 -3.207 620 H CYS 87 H CYS 87 1.921 -12.954 0.366 621 HA CYS 87 HA CYS 87 4.220 -11.485 -0.623 622 1HB CYS 87 2HB CYS 87 3.141 -11.688 2.198 623 2HB CYS 87 1HB CYS 87 4.420 -10.603 1.660 624 H ASN 88 H ASN 88 4.956 -13.868 -1.170 625 HA ASN 88 HA ASN 88 6.966 -14.417 0.911 626 1HB ASN 88 2HB ASN 88 5.327 -16.459 -0.597 627 2HB ASN 88 1HB ASN 88 6.843 -16.869 0.198 628 1HD2 ASN 88 1HD2 ASN 88 6.960 -16.828 2.451 629 2HD2 ASN 88 2HD2 ASN 88 5.525 -16.839 3.441 630 H SER 89 H SER 89 6.171 -14.101 -2.428 631 HA SER 89 HA SER 89 8.955 -14.651 -3.145 632 1HB SER 89 2HB SER 89 8.042 -14.304 -5.517 633 2HB SER 89 1HB SER 89 7.438 -15.723 -4.658 634 HG SER 89 HG SER 89 5.789 -14.439 -5.715 635 H ILE 90 H ILE 90 6.427 -12.201 -3.365 636 HA ILE 90 HA ILE 90 8.389 -10.107 -3.537 637 HB ILE 90 HB ILE 90 6.459 -9.358 -4.518 638 1HG1 ILE 90 2HG1 ILE 90 5.253 -7.815 -2.924 639 2HG1 ILE 90 1HG1 ILE 90 6.252 -8.512 -1.645 640 1HG2 ILE 90 1HG2 ILE 90 5.023 -11.210 -4.071 641 2HG2 ILE 90 2HG2 ILE 90 4.168 -9.720 -3.672 642 3HG2 ILE 90 3HG2 ILE 90 4.834 -10.723 -2.388 643 1HD1 ILE 90 1HD1 ILE 90 7.251 -7.034 -4.075 644 2HD1 ILE 90 2HD1 ILE 90 8.260 -7.739 -2.814 645 3HD1 ILE 90 3HD1 ILE 90 7.173 -6.404 -2.430 646 H ASN 91 H ASN 91 5.845 -10.445 -1.039 647 HA ASN 91 HA ASN 91 5.915 -10.613 1.209 648 1HB ASN 91 2HB ASN 91 7.486 -12.453 0.913 649 2HB ASN 91 1HB ASN 91 8.829 -11.314 0.813 650 1HD2 ASN 91 1HD2 ASN 91 6.447 -12.767 2.911 651 2HD2 ASN 91 2HD2 ASN 91 7.227 -12.358 4.401 Start of MODEL 9 1 1H MET 1 1HT MET 1 13.000 -0.773 3.449 2 2H MET 1 2HT MET 1 13.687 -1.400 4.866 3 3H MET 1 3HT MET 1 13.153 0.210 4.823 4 HA MET 1 HA MET 1 10.895 -0.439 4.674 5 1HB MET 1 2HB MET 1 11.245 -2.416 3.242 6 2HB MET 1 1HB MET 1 11.973 -3.271 4.595 7 1HG MET 1 2HG MET 1 9.155 -2.241 4.677 8 2HG MET 1 1HG MET 1 9.569 -3.826 4.026 9 1HE MET 1 1HE MET 1 7.985 -5.085 5.724 10 2HE MET 1 2HE MET 1 7.465 -3.521 6.351 11 3HE MET 1 3HE MET 1 7.984 -4.790 7.462 12 H THR 2 H THR 2 10.021 -0.103 6.565 13 HA THR 2 HA THR 2 11.143 -1.474 8.887 14 HB THR 2 HB THR 2 10.554 0.677 10.148 15 HG1 THR 2 1HG THR 2 11.124 2.423 8.337 16 1HG2 THR 2 1HG2 THR 2 12.853 -0.119 9.849 17 2HG2 THR 2 2HG2 THR 2 12.768 1.639 9.711 18 3HG2 THR 2 3HG2 THR 2 12.912 0.646 8.259 19 H CYS 3 H CYS 3 8.583 -1.399 7.117 20 HA CYS 3 HA CYS 3 6.340 -1.684 7.334 21 1HB CYS 3 2HB CYS 3 7.131 -3.113 9.358 22 2HB CYS 3 1HB CYS 3 6.596 -1.748 10.336 23 H GLY 4 H GLY 4 7.961 0.598 9.420 24 1HA GLY 4 2HA GLY 4 5.786 2.481 9.497 25 2HA GLY 4 1HA GLY 4 7.466 2.795 9.931 26 H GLN 5 H GLN 5 8.598 1.837 7.500 27 HA GLN 5 HA GLN 5 8.401 3.899 5.658 28 1HB GLN 5 2HB GLN 5 10.154 2.144 5.591 29 2HB GLN 5 1HB GLN 5 8.946 0.971 5.086 30 1HG GLN 5 2HG GLN 5 8.561 2.281 3.039 31 2HG GLN 5 1HG GLN 5 9.828 3.397 3.537 32 1HE2 GLN 5 1HE2 GLN 5 9.105 0.249 2.284 33 2HE2 GLN 5 2HE2 GLN 5 10.733 -0.189 1.845 34 H VAL 6 H VAL 6 6.613 0.854 5.891 35 HA VAL 6 HA VAL 6 4.937 1.239 3.622 36 HB VAL 6 HB VAL 6 4.393 -0.281 6.194 37 1HG1 VAL 6 1HG1 VAL 6 2.892 -0.384 3.581 38 2HG1 VAL 6 2HG1 VAL 6 2.285 0.274 5.100 39 3HG1 VAL 6 3HG1 VAL 6 2.635 -1.451 4.964 40 1HG2 VAL 6 1HG2 VAL 6 4.876 -2.244 4.824 41 2HG2 VAL 6 2HG2 VAL 6 6.260 -1.154 4.939 42 3HG2 VAL 6 3HG2 VAL 6 5.276 -1.185 3.473 43 H GLN 7 H GLN 7 4.717 2.394 6.937 44 HA GLN 7 HA GLN 7 2.036 3.116 7.006 45 1HB GLN 7 2HB GLN 7 3.641 3.109 8.944 46 2HB GLN 7 1HB GLN 7 4.276 4.638 8.340 47 1HG GLN 7 2HG GLN 7 2.070 5.654 8.604 48 2HG GLN 7 1HG GLN 7 1.442 4.124 9.214 49 1HE2 GLN 7 1HE2 GLN 7 0.876 4.979 11.195 50 2HE2 GLN 7 2HE2 GLN 7 2.050 5.419 12.385 51 H GLY 8 H GLY 8 4.811 4.816 5.629 52 1HA GLY 8 2HA GLY 8 3.520 7.285 5.156 53 2HA GLY 8 1HA GLY 8 4.913 6.684 4.280 54 H ASN 9 H ASN 9 3.083 4.246 3.679 55 HA ASN 9 HA ASN 9 1.837 5.345 1.294 56 1HB ASN 9 2HB ASN 9 3.012 3.331 0.887 57 2HB ASN 9 1HB ASN 9 2.311 2.532 2.283 58 1HD2 ASN 9 1HD2 ASN 9 0.379 4.437 0.072 59 2HD2 ASN 9 2HD2 ASN 9 -0.456 3.096 -0.641 60 H LEU 10 H LEU 10 0.839 3.281 4.029 61 HA LEU 10 HA LEU 10 -1.916 3.457 3.349 62 1HB LEU 10 2HB LEU 10 -0.327 2.224 5.522 63 2HB LEU 10 1HB LEU 10 -2.026 2.515 5.852 64 HG LEU 10 HG LEU 10 -1.732 0.254 5.069 65 1HD1 LEU 10 1HD1 LEU 10 -3.254 0.245 3.159 66 2HD1 LEU 10 2HD1 LEU 10 -2.978 1.970 2.925 67 3HD1 LEU 10 3HD1 LEU 10 -3.773 1.395 4.390 68 1HD2 LEU 10 1HD2 LEU 10 0.352 0.519 3.853 69 2HD2 LEU 10 2HD2 LEU 10 -0.468 1.468 2.614 70 3HD2 LEU 10 3HD2 LEU 10 -0.867 -0.237 2.831 71 H ALA 11 H ALA 11 0.087 5.248 5.640 72 HA ALA 11 HA ALA 11 -1.986 6.192 7.301 73 1HB ALA 11 1HB ALA 11 -0.380 7.868 8.073 74 2HB ALA 11 2HB ALA 11 0.688 7.466 6.725 75 3HB ALA 11 3HB ALA 11 0.352 6.267 7.975 76 H GLN 12 H GLN 12 -0.765 7.348 4.250 77 HA GLN 12 HA GLN 12 -1.966 9.948 4.448 78 1HB GLN 12 2HB GLN 12 -0.838 8.447 2.086 79 2HB GLN 12 1HB GLN 12 -1.319 10.137 2.067 80 1HG GLN 12 2HG GLN 12 0.737 9.141 3.997 81 2HG GLN 12 1HG GLN 12 1.166 9.561 2.339 82 1HE2 GLN 12 1HE2 GLN 12 2.453 11.253 2.935 83 2HE2 GLN 12 2HE2 GLN 12 1.819 12.747 3.554 84 H CYS 13 H CYS 13 -3.085 6.846 3.579 85 HA CYS 13 HA CYS 13 -5.328 7.996 2.098 86 1HB CYS 13 2HB CYS 13 -3.990 5.374 2.086 87 2HB CYS 13 1HB CYS 13 -5.739 5.347 1.874 88 H ILE 14 H ILE 14 -4.575 7.213 5.205 89 HA ILE 14 HA ILE 14 -6.796 5.823 6.141 90 HB ILE 14 HB ILE 14 -5.234 8.026 7.493 91 1HG1 ILE 14 2HG1 ILE 14 -5.176 5.007 7.765 92 2HG1 ILE 14 1HG1 ILE 14 -3.962 5.994 6.945 93 1HG2 ILE 14 1HG2 ILE 14 -7.278 6.158 8.687 94 2HG2 ILE 14 2HG2 ILE 14 -7.425 7.908 8.527 95 3HG2 ILE 14 3HG2 ILE 14 -6.210 7.218 9.605 96 1HD1 ILE 14 1HD1 ILE 14 -3.387 7.054 9.062 97 2HD1 ILE 14 2HD1 ILE 14 -3.218 5.301 9.156 98 3HD1 ILE 14 3HD1 ILE 14 -4.617 6.093 9.882 99 H GLY 15 H GLY 15 -6.492 9.173 5.166 100 1HA GLY 15 2HA GLY 15 -9.030 10.067 6.073 101 2HA GLY 15 1HA GLY 15 -8.091 10.778 4.778 102 H PHE 16 H PHE 16 -8.077 9.518 2.712 103 HA PHE 16 HA PHE 16 -10.638 9.439 1.635 104 1HB PHE 16 2HB PHE 16 -8.956 9.724 0.070 105 2HB PHE 16 1HB PHE 16 -7.966 8.442 0.766 106 HD1 PHE 16 1HD PHE 16 -11.109 9.028 -1.138 107 HD2 PHE 16 2HD PHE 16 -7.966 6.315 -0.206 108 HE1 PHE 16 1HE PHE 16 -11.922 7.492 -2.883 109 HE2 PHE 16 2HE PHE 16 -8.780 4.774 -1.943 110 HZ PHE 16 HZ PHE 16 -10.813 5.299 -3.200 111 H LEU 17 H LEU 17 -8.611 6.790 2.784 112 HA LEU 17 HA LEU 17 -10.185 4.619 2.023 113 1HB LEU 17 2HB LEU 17 -8.309 5.098 4.331 114 2HB LEU 17 1HB LEU 17 -9.150 3.558 4.160 115 HG LEU 17 HG LEU 17 -6.763 4.579 2.855 116 1HD1 LEU 17 1HD1 LEU 17 -6.356 2.185 2.522 117 2HD1 LEU 17 2HD1 LEU 17 -7.971 1.847 3.149 118 3HD1 LEU 17 3HD1 LEU 17 -6.759 2.595 4.189 119 1HD2 LEU 17 1HD2 LEU 17 -7.115 3.581 0.680 120 2HD2 LEU 17 2HD2 LEU 17 -8.259 4.895 0.958 121 3HD2 LEU 17 3HD2 LEU 17 -8.789 3.218 1.100 122 H GLN 18 H GLN 18 -10.502 6.863 4.728 123 HA GLN 18 HA GLN 18 -12.882 5.502 5.715 124 1HB GLN 18 2HB GLN 18 -11.460 8.046 6.472 125 2HB GLN 18 1HB GLN 18 -13.081 7.705 7.060 126 1HG GLN 18 2HG GLN 18 -12.195 5.574 7.950 127 2HG GLN 18 1HG GLN 18 -10.573 6.147 7.564 128 1HE2 GLN 18 1HE2 GLN 18 -13.355 6.522 9.601 129 2HE2 GLN 18 2HE2 GLN 18 -12.610 7.555 10.779 130 H LYS 19 H LYS 19 -12.330 8.839 4.985 131 HA LYS 19 HA LYS 19 -14.688 8.927 3.214 132 1HB LYS 19 2HB LYS 19 -14.103 10.910 5.426 133 2HB LYS 19 1HB LYS 19 -15.428 11.015 4.279 134 1HG LYS 19 2HG LYS 19 -15.194 8.607 6.018 135 2HG LYS 19 1HG LYS 19 -15.809 10.110 6.701 136 1HD LYS 19 2HD LYS 19 -17.658 8.753 5.965 137 2HD LYS 19 1HD LYS 19 -17.530 10.169 4.925 138 1HE LYS 19 2HE LYS 19 -16.538 8.873 3.175 139 2HE LYS 19 1HE LYS 19 -16.396 7.465 4.229 140 1HZ LYS 19 1HZ LYS 19 -18.956 8.696 3.362 141 2HZ LYS 19 2HZ LYS 19 -18.786 7.306 4.317 142 3HZ LYS 19 3HZ LYS 19 -18.275 7.292 2.704 143 H GLY 20 H GLY 20 -13.770 9.438 1.316 144 1HA GLY 20 2HA GLY 20 -12.175 11.886 1.191 145 2HA GLY 20 1HA GLY 20 -11.400 10.405 0.640 146 H GLY 21 H GLY 21 -13.456 9.154 -0.711 147 1HA GLY 21 2HA GLY 21 -14.676 9.283 -2.707 148 2HA GLY 21 1HA GLY 21 -14.424 11.030 -2.708 149 H VAL 22 H VAL 22 -11.961 11.544 -2.810 150 HA VAL 22 HA VAL 22 -10.870 10.039 -5.092 151 HB VAL 22 HB VAL 22 -9.770 12.152 -5.766 152 1HG1 VAL 22 1HG1 VAL 22 -12.765 12.311 -5.545 153 2HG1 VAL 22 2HG1 VAL 22 -11.858 11.479 -6.807 154 3HG1 VAL 22 3HG1 VAL 22 -11.767 13.234 -6.667 155 1HG2 VAL 22 1HG2 VAL 22 -11.470 13.386 -3.605 156 2HG2 VAL 22 2HG2 VAL 22 -10.538 14.278 -4.808 157 3HG2 VAL 22 3HG2 VAL 22 -9.707 13.280 -3.613 158 H VAL 23 H VAL 23 -8.529 9.954 -5.228 159 HA VAL 23 HA VAL 23 -7.369 9.665 -2.575 160 HB VAL 23 HB VAL 23 -6.301 8.813 -5.269 161 1HG1 VAL 23 1HG1 VAL 23 -4.645 7.534 -3.999 162 2HG1 VAL 23 2HG1 VAL 23 -5.264 8.222 -2.496 163 3HG1 VAL 23 3HG1 VAL 23 -4.490 9.265 -3.692 164 1HG2 VAL 23 1HG2 VAL 23 -7.556 7.247 -3.021 165 2HG2 VAL 23 2HG2 VAL 23 -6.841 6.549 -4.478 166 3HG2 VAL 23 3HG2 VAL 23 -8.274 7.571 -4.599 167 HA PRO 24 HA PRO 24 -5.169 13.502 -3.057 168 1HB PRO 24 2HB PRO 24 -3.700 12.721 -0.655 169 2HB PRO 24 1HB PRO 24 -4.866 14.029 -0.868 170 1HG PRO 24 2HG PRO 24 -5.412 11.836 0.621 171 2HG PRO 24 1HG PRO 24 -6.663 12.702 -0.296 172 1HD PRO 24 2HD PRO 24 -5.201 10.185 -1.008 173 2HD PRO 24 1HD PRO 24 -6.934 10.570 -1.152 174 HA PRO 25 HA PRO 25 -1.420 12.275 -5.059 175 1HB PRO 25 2HB PRO 25 -0.313 14.912 -4.333 176 2HB PRO 25 1HB PRO 25 -0.633 14.225 -5.934 177 1HG PRO 25 2HG PRO 25 -2.143 16.198 -4.922 178 2HG PRO 25 1HG PRO 25 -2.835 14.919 -5.935 179 1HD PRO 25 2HD PRO 25 -2.918 15.232 -2.957 180 2HD PRO 25 1HD PRO 25 -4.197 14.707 -4.072 181 H SER 26 H SER 26 -1.661 12.954 -1.822 182 HA SER 26 HA SER 26 1.141 12.847 -1.135 183 1HB SER 26 2HB SER 26 -1.230 12.622 0.733 184 2HB SER 26 1HB SER 26 0.411 13.144 1.125 185 HG SER 26 HG SER 26 -0.593 15.025 0.897 186 H CYS 27 H CYS 27 -1.768 10.878 -0.806 187 HA CYS 27 HA CYS 27 -0.462 8.606 0.263 188 1HB CYS 27 2HB CYS 27 -2.918 8.970 0.426 189 2HB CYS 27 1HB CYS 27 -3.040 8.706 -1.316 190 H CYS 28 H CYS 28 -1.405 9.606 -3.005 191 HA CYS 28 HA CYS 28 -0.628 7.286 -4.296 192 1HB CYS 28 2HB CYS 28 -1.012 10.088 -5.205 193 2HB CYS 28 1HB CYS 28 -0.246 8.938 -6.302 194 H THR 29 H THR 29 1.262 10.125 -3.453 195 HA THR 29 HA THR 29 3.635 9.234 -4.727 196 HB THR 29 HB THR 29 3.234 11.203 -2.462 197 HG1 THR 29 1HG THR 29 2.404 12.189 -4.185 198 1HG2 THR 29 1HG2 THR 29 5.481 12.031 -2.995 199 2HG2 THR 29 2HG2 THR 29 5.688 10.717 -4.155 200 3HG2 THR 29 3HG2 THR 29 5.523 10.358 -2.433 201 H GLY 30 H GLY 30 2.220 8.752 -1.541 202 1HA GLY 30 2HA GLY 30 4.502 7.523 -0.359 203 2HA GLY 30 1HA GLY 30 2.850 7.409 0.214 204 H VAL 31 H VAL 31 1.660 6.244 -2.072 205 HA VAL 31 HA VAL 31 2.344 3.515 -1.890 206 HB VAL 31 HB VAL 31 1.212 4.697 -4.423 207 1HG1 VAL 31 1HG1 VAL 31 0.737 2.096 -2.975 208 2HG1 VAL 31 2HG1 VAL 31 1.695 2.328 -4.440 209 3HG1 VAL 31 3HG1 VAL 31 -0.050 2.586 -4.476 210 1HG2 VAL 31 1HG2 VAL 31 -0.028 5.747 -2.604 211 2HG2 VAL 31 2HG2 VAL 31 -0.370 4.160 -1.914 212 3HG2 VAL 31 3HG2 VAL 31 -1.031 4.601 -3.488 213 H LYS 32 H LYS 32 3.051 5.962 -4.341 214 HA LYS 32 HA LYS 32 4.733 4.535 -5.985 215 1HB LYS 32 2HB LYS 32 3.891 6.839 -6.406 216 2HB LYS 32 1HB LYS 32 5.028 7.450 -5.213 217 1HG LYS 32 2HG LYS 32 5.876 7.801 -7.447 218 2HG LYS 32 1HG LYS 32 6.889 6.643 -6.584 219 1HD LYS 32 2HD LYS 32 6.504 5.917 -8.881 220 2HD LYS 32 1HD LYS 32 5.760 4.800 -7.736 221 1HE LYS 32 2HE LYS 32 4.281 5.230 -9.619 222 2HE LYS 32 1HE LYS 32 3.589 5.840 -8.120 223 1HZ LYS 32 1HZ LYS 32 4.190 8.061 -8.724 224 2HZ LYS 32 2HZ LYS 32 3.356 7.369 -10.030 225 3HZ LYS 32 3HZ LYS 32 5.045 7.522 -10.089 226 H ASN 33 H ASN 33 5.429 6.098 -2.870 227 HA ASN 33 HA ASN 33 8.232 5.732 -2.864 228 1HB ASN 33 2HB ASN 33 6.146 6.131 -0.773 229 2HB ASN 33 1HB ASN 33 7.715 5.517 -0.251 230 1HD2 ASN 33 1HD2 ASN 33 6.363 8.086 0.248 231 2HD2 ASN 33 2HD2 ASN 33 7.472 9.304 -0.276 232 H ILE 34 H ILE 34 5.725 3.754 -1.293 233 HA ILE 34 HA ILE 34 7.348 1.630 -0.600 234 HB ILE 34 HB ILE 34 4.416 1.874 -1.156 235 1HG1 ILE 34 2HG1 ILE 34 4.980 2.994 0.804 236 2HG1 ILE 34 1HG1 ILE 34 4.435 1.423 1.382 237 1HG2 ILE 34 1HG2 ILE 34 4.948 -0.428 -1.665 238 2HG2 ILE 34 2HG2 ILE 34 4.045 -0.312 -0.153 239 3HG2 ILE 34 3HG2 ILE 34 5.787 -0.592 -0.122 240 1HD1 ILE 34 1HD1 ILE 34 6.970 2.720 1.722 241 2HD1 ILE 34 2HD1 ILE 34 7.181 1.145 0.961 242 3HD1 ILE 34 3HD1 ILE 34 6.333 1.273 2.505 243 H LEU 35 H LEU 35 5.894 2.355 -3.678 244 HA LEU 35 HA LEU 35 6.350 -0.302 -4.709 245 1HB LEU 35 2HB LEU 35 5.548 2.202 -6.184 246 2HB LEU 35 1HB LEU 35 5.423 0.563 -6.783 247 HG LEU 35 HG LEU 35 3.796 1.889 -4.638 248 1HD1 LEU 35 1HD1 LEU 35 3.071 0.484 -7.196 249 2HD1 LEU 35 2HD1 LEU 35 3.060 2.224 -6.911 250 3HD1 LEU 35 3HD1 LEU 35 1.933 1.181 -6.044 251 1HD2 LEU 35 1HD2 LEU 35 2.703 -0.273 -4.240 252 2HD2 LEU 35 2HD2 LEU 35 4.399 -0.284 -3.758 253 3HD2 LEU 35 3HD2 LEU 35 3.904 -1.061 -5.265 254 H ASN 36 H ASN 36 7.662 2.938 -5.460 255 HA ASN 36 HA ASN 36 9.698 1.710 -7.152 256 1HB ASN 36 2HB ASN 36 8.448 3.747 -7.889 257 2HB ASN 36 1HB ASN 36 9.200 4.641 -6.575 258 1HD2 ASN 36 1HD2 ASN 36 9.323 5.093 -9.443 259 2HD2 ASN 36 2HD2 ASN 36 10.997 5.039 -9.871 260 H SER 37 H SER 37 9.501 3.724 -4.241 261 HA SER 37 HA SER 37 12.359 3.895 -4.005 262 1HB SER 37 2HB SER 37 10.240 4.756 -2.025 263 2HB SER 37 1HB SER 37 11.926 5.286 -2.071 264 HG SER 37 HG SER 37 11.521 6.331 -4.006 265 H SER 38 H SER 38 10.325 1.391 -3.335 266 HA SER 38 HA SER 38 11.361 0.296 -0.960 267 1HB SER 38 2HB SER 38 9.517 -0.666 -2.437 268 2HB SER 38 1HB SER 38 10.799 -1.274 -3.488 269 HG SER 38 HG SER 38 10.837 -1.820 -0.722 270 H ARG 39 H ARG 39 13.421 -0.093 -0.451 271 HA ARG 39 HA ARG 39 15.503 0.735 -2.088 272 1HB ARG 39 2HB ARG 39 15.383 0.418 0.478 273 2HB ARG 39 1HB ARG 39 15.928 -1.221 0.146 274 1HG ARG 39 2HG ARG 39 17.828 0.102 0.698 275 2HG ARG 39 1HG ARG 39 17.896 -0.257 -1.027 276 1HD ARG 39 2HD ARG 39 17.163 1.934 -1.597 277 2HD ARG 39 1HD ARG 39 16.752 2.300 0.080 278 HE ARG 39 HE ARG 39 19.544 1.723 -0.591 279 1HH1 ARG 39 1HH1 ARG 39 17.097 4.077 0.290 280 2HH1 ARG 39 2HH1 ARG 39 18.261 5.251 0.843 281 1HH2 ARG 39 1HH2 ARG 39 21.057 3.255 0.107 282 2HH2 ARG 39 2HH2 ARG 39 20.513 4.779 0.754 283 H THR 40 H THR 40 14.484 -2.577 -1.325 284 HA THR 40 HA THR 40 15.967 -3.541 -3.656 285 HB THR 40 HB THR 40 16.878 -5.435 -2.351 286 HG1 THR 40 1HG THR 40 16.369 -4.121 0.072 287 1HG2 THR 40 1HG2 THR 40 18.608 -4.210 -1.100 288 2HG2 THR 40 2HG2 THR 40 17.647 -2.733 -1.227 289 3HG2 THR 40 3HG2 THR 40 18.311 -3.487 -2.681 290 H THR 41 H THR 41 15.450 -6.072 -3.796 291 HA THR 41 HA THR 41 12.637 -6.456 -3.823 292 HB THR 41 HB THR 41 14.815 -8.544 -3.861 293 HG1 THR 41 1HG THR 41 15.092 -8.079 -5.928 294 1HG2 THR 41 1HG2 THR 41 11.972 -8.650 -4.884 295 2HG2 THR 41 2HG2 THR 41 12.574 -9.460 -3.437 296 3HG2 THR 41 3HG2 THR 41 13.173 -9.936 -5.028 297 H ALA 42 H ALA 42 15.229 -7.276 -1.592 298 HA ALA 42 HA ALA 42 13.682 -8.752 0.263 299 1HB ALA 42 1HB ALA 42 16.130 -8.787 0.250 300 2HB ALA 42 2HB ALA 42 15.500 -8.328 1.830 301 3HB ALA 42 3HB ALA 42 16.156 -7.097 0.753 302 H ASP 43 H ASP 43 13.826 -5.441 -0.537 303 HA ASP 43 HA ASP 43 12.701 -4.508 1.975 304 1HB ASP 43 2HB ASP 43 14.311 -3.224 0.386 305 2HB ASP 43 1HB ASP 43 12.881 -2.946 -0.595 306 H ARG 44 H ARG 44 11.788 -5.202 -1.332 307 HA ARG 44 HA ARG 44 9.140 -4.166 -1.066 308 1HB ARG 44 2HB ARG 44 10.402 -4.142 -3.202 309 2HB ARG 44 1HB ARG 44 10.281 -5.898 -3.263 310 1HG ARG 44 2HG ARG 44 7.902 -5.791 -3.489 311 2HG ARG 44 1HG ARG 44 7.904 -4.048 -3.204 312 1HD ARG 44 2HD ARG 44 9.321 -5.362 -5.513 313 2HD ARG 44 1HD ARG 44 7.670 -4.750 -5.603 314 HE ARG 44 HE ARG 44 8.647 -2.530 -5.022 315 1HH1 ARG 44 1HH1 ARG 44 10.664 -4.986 -6.478 316 2HH1 ARG 44 2HH1 ARG 44 11.728 -3.848 -7.246 317 1HH2 ARG 44 1HH2 ARG 44 10.012 -1.023 -6.062 318 2HH2 ARG 44 2HH2 ARG 44 11.349 -1.590 -7.025 319 H ARG 45 H ARG 45 10.595 -7.383 -0.856 320 HA ARG 45 HA ARG 45 8.052 -8.694 -0.699 321 1HB ARG 45 2HB ARG 45 9.238 -10.685 -0.072 322 2HB ARG 45 1HB ARG 45 10.151 -9.890 -1.341 323 1HG ARG 45 2HG ARG 45 11.778 -9.110 0.214 324 2HG ARG 45 1HG ARG 45 10.802 -9.646 1.585 325 1HD ARG 45 2HD ARG 45 12.487 -11.281 1.303 326 2HD ARG 45 1HD ARG 45 11.007 -11.986 0.653 327 HE ARG 45 HE ARG 45 12.848 -10.680 -1.214 328 1HH1 ARG 45 1HH1 ARG 45 11.473 -13.636 0.054 329 2HH1 ARG 45 2HH1 ARG 45 12.098 -14.632 -1.226 330 1HH2 ARG 45 1HH2 ARG 45 13.674 -11.981 -2.905 331 2HH2 ARG 45 2HH2 ARG 45 13.333 -13.681 -2.919 332 H ALA 46 H ALA 46 10.226 -7.169 1.547 333 HA ALA 46 HA ALA 46 8.861 -8.039 3.903 334 1HB ALA 46 1HB ALA 46 10.683 -5.664 3.518 335 2HB ALA 46 2HB ALA 46 11.201 -7.293 3.954 336 3HB ALA 46 3HB ALA 46 10.190 -6.363 5.061 337 H VAL 47 H VAL 47 8.780 -5.148 1.859 338 HA VAL 47 HA VAL 47 6.997 -3.666 3.444 339 HB VAL 47 HB VAL 47 8.418 -2.827 1.480 340 1HG1 VAL 47 1HG1 VAL 47 7.394 -2.729 -0.693 341 2HG1 VAL 47 2HG1 VAL 47 5.993 -3.624 -0.111 342 3HG1 VAL 47 3HG1 VAL 47 7.565 -4.413 -0.202 343 1HG2 VAL 47 1HG2 VAL 47 5.553 -1.964 1.712 344 2HG2 VAL 47 2HG2 VAL 47 6.851 -1.021 0.973 345 3HG2 VAL 47 3HG2 VAL 47 6.905 -1.401 2.696 346 H CYS 48 H CYS 48 6.464 -6.082 0.949 347 HA CYS 48 HA CYS 48 3.665 -5.724 0.737 348 1HB CYS 48 2HB CYS 48 5.154 -6.913 -0.918 349 2HB CYS 48 1HB CYS 48 5.247 -8.258 0.211 350 H SER 49 H SER 49 5.733 -7.573 2.876 351 HA SER 49 HA SER 49 3.674 -9.171 4.016 352 1HB SER 49 2HB SER 49 6.418 -8.452 5.078 353 2HB SER 49 1HB SER 49 5.370 -9.712 5.734 354 HG SER 49 HG SER 49 6.699 -9.621 3.234 355 H CYS 50 H CYS 50 5.190 -6.096 4.925 356 HA CYS 50 HA CYS 50 3.639 -5.771 7.304 357 1HB CYS 50 2HB CYS 50 5.673 -4.528 7.149 358 2HB CYS 50 1HB CYS 50 5.196 -3.820 5.609 359 H LEU 51 H LEU 51 3.264 -4.952 3.940 360 HA LEU 51 HA LEU 51 1.183 -3.146 3.972 361 1HB LEU 51 2HB LEU 51 2.482 -4.037 1.988 362 2HB LEU 51 1HB LEU 51 1.431 -5.438 2.026 363 HG LEU 51 HG LEU 51 -0.498 -3.778 1.778 364 1HD1 LEU 51 1HD1 LEU 51 0.041 -1.662 0.730 365 2HD1 LEU 51 2HD1 LEU 51 1.765 -2.006 0.886 366 3HD1 LEU 51 3HD1 LEU 51 0.777 -1.769 2.330 367 1HD2 LEU 51 1HD2 LEU 51 0.228 -5.288 0.007 368 2HD2 LEU 51 2HD2 LEU 51 1.472 -4.134 -0.476 369 3HD2 LEU 51 3HD2 LEU 51 -0.234 -3.718 -0.650 370 H LYS 52 H LYS 52 1.117 -6.630 4.403 371 HA LYS 52 HA LYS 52 -1.621 -7.128 4.304 372 1HB LYS 52 2HB LYS 52 0.425 -8.399 6.134 373 2HB LYS 52 1HB LYS 52 -1.154 -9.066 5.749 374 1HG LYS 52 2HG LYS 52 1.034 -8.578 3.742 375 2HG LYS 52 1HG LYS 52 0.704 -10.126 4.520 376 1HD LYS 52 2HD LYS 52 -1.609 -10.015 3.581 377 2HD LYS 52 1HD LYS 52 -1.114 -8.578 2.681 378 1HE LYS 52 2HE LYS 52 -0.949 -10.496 1.241 379 2HE LYS 52 1HE LYS 52 0.674 -9.918 1.615 380 1HZ LYS 52 1HZ LYS 52 -0.706 -12.272 2.793 381 2HZ LYS 52 2HZ LYS 52 0.770 -11.660 3.368 382 3HZ LYS 52 3HZ LYS 52 0.665 -12.276 1.794 383 H ALA 53 H ALA 53 0.389 -6.291 7.117 384 HA ALA 53 HA ALA 53 -1.869 -6.225 8.886 385 1HB ALA 53 1HB ALA 53 0.950 -5.267 9.347 386 2HB ALA 53 2HB ALA 53 0.351 -6.894 9.670 387 3HB ALA 53 3HB ALA 53 -0.284 -5.522 10.581 388 H ALA 54 H ALA 54 -0.206 -3.946 6.894 389 HA ALA 54 HA ALA 54 -1.131 -1.597 8.244 390 1HB ALA 54 1HB ALA 54 -0.320 -0.403 6.267 391 2HB ALA 54 2HB ALA 54 -0.076 -1.942 5.440 392 3HB ALA 54 3HB ALA 54 0.879 -1.547 6.871 393 H ALA 55 H ALA 55 -2.083 -3.256 5.231 394 HA ALA 55 HA ALA 55 -4.388 -1.636 4.798 395 1HB ALA 55 1HB ALA 55 -3.313 -2.870 2.975 396 2HB ALA 55 2HB ALA 55 -5.011 -3.321 3.135 397 3HB ALA 55 3HB ALA 55 -3.752 -4.394 3.744 398 H GLY 56 H GLY 56 -3.686 -4.384 6.759 399 1HA GLY 56 2HA GLY 56 -6.521 -4.870 7.295 400 2HA GLY 56 1HA GLY 56 -5.175 -5.859 7.852 401 H ALA 57 H ALA 57 -4.495 -2.602 8.309 402 HA ALA 57 HA ALA 57 -5.021 -2.835 11.171 403 1HB ALA 57 1HB ALA 57 -3.589 -0.661 9.636 404 2HB ALA 57 2HB ALA 57 -2.821 -2.030 10.443 405 3HB ALA 57 3HB ALA 57 -3.673 -0.813 11.393 406 H VAL 58 H VAL 58 -6.623 -1.846 8.520 407 HA VAL 58 HA VAL 58 -7.666 0.679 9.265 408 HB VAL 58 HB VAL 58 -9.235 0.335 7.397 409 1HG1 VAL 58 1HG1 VAL 58 -7.519 0.190 5.632 410 2HG1 VAL 58 2HG1 VAL 58 -6.366 -0.416 6.818 411 3HG1 VAL 58 3HG1 VAL 58 -7.007 1.221 6.969 412 1HG2 VAL 58 1HG2 VAL 58 -9.056 -1.677 6.004 413 2HG2 VAL 58 2HG2 VAL 58 -9.624 -2.069 7.625 414 3HG2 VAL 58 3HG2 VAL 58 -7.950 -2.391 7.178 415 H ARG 59 H ARG 59 -8.628 0.720 11.247 416 HA ARG 59 HA ARG 59 -10.951 -1.045 11.649 417 1HB ARG 59 2HB ARG 59 -9.246 -1.158 13.403 418 2HB ARG 59 1HB ARG 59 -9.342 0.582 13.626 419 1HG ARG 59 2HG ARG 59 -11.721 0.286 14.302 420 2HG ARG 59 1HG ARG 59 -11.457 -1.460 14.247 421 1HD ARG 59 2HD ARG 59 -9.877 0.485 15.908 422 2HD ARG 59 1HD ARG 59 -11.201 -0.510 16.517 423 HE ARG 59 HE ARG 59 -9.411 -2.255 15.352 424 1HH1 ARG 59 1HH1 ARG 59 -9.331 0.095 17.949 425 2HH1 ARG 59 2HH1 ARG 59 -8.108 -0.754 18.843 426 1HH2 ARG 59 1HH2 ARG 59 -7.823 -3.368 16.498 427 2HH2 ARG 59 2HH2 ARG 59 -7.244 -2.749 18.024 428 H GLY 60 H GLY 60 -12.674 -0.042 10.796 429 1HA GLY 60 2HA GLY 60 -14.358 1.642 10.812 430 2HA GLY 60 1HA GLY 60 -13.180 2.773 11.487 431 H ILE 61 H ILE 61 -11.142 1.823 9.645 432 HA ILE 61 HA ILE 61 -11.720 3.532 7.410 433 HB ILE 61 HB ILE 61 -9.307 1.893 8.192 434 1HG1 ILE 61 2HG1 ILE 61 -8.227 4.165 8.225 435 2HG1 ILE 61 1HG1 ILE 61 -9.819 4.864 7.968 436 1HG2 ILE 61 1HG2 ILE 61 -9.681 3.517 5.689 437 2HG2 ILE 61 2HG2 ILE 61 -9.406 1.776 5.800 438 3HG2 ILE 61 3HG2 ILE 61 -8.133 2.905 6.271 439 1HD1 ILE 61 1HD1 ILE 61 -10.576 3.904 10.076 440 2HD1 ILE 61 2HD1 ILE 61 -9.182 4.965 10.299 441 3HD1 ILE 61 3HD1 ILE 61 -8.975 3.214 10.335 442 H ASN 62 H ASN 62 -11.795 2.857 5.252 443 HA ASN 62 HA ASN 62 -12.933 0.177 4.949 444 1HB ASN 62 2HB ASN 62 -12.992 2.533 3.046 445 2HB ASN 62 1HB ASN 62 -13.787 0.981 2.776 446 1HD2 ASN 62 1HD2 ASN 62 -13.905 4.010 4.396 447 2HD2 ASN 62 2HD2 ASN 62 -15.478 3.808 5.105 448 HA PRO 63 HA PRO 63 -9.124 -0.875 2.876 449 1HB PRO 63 2HB PRO 63 -9.747 -3.596 2.859 450 2HB PRO 63 1HB PRO 63 -8.815 -2.742 4.095 451 1HG PRO 63 2HG PRO 63 -11.424 -3.895 4.324 452 2HG PRO 63 1HG PRO 63 -10.481 -3.061 5.566 453 1HD PRO 63 2HD PRO 63 -12.728 -2.091 3.972 454 2HD PRO 63 1HD PRO 63 -12.022 -1.411 5.449 455 H ASN 64 H ASN 64 -12.362 -1.253 1.948 456 HA ASN 64 HA ASN 64 -11.980 -2.382 -0.641 457 1HB ASN 64 2HB ASN 64 -14.179 -2.236 0.569 458 2HB ASN 64 1HB ASN 64 -14.173 -0.502 0.273 459 1HD2 ASN 64 1HD2 ASN 64 -13.193 -3.150 -1.870 460 2HD2 ASN 64 2HD2 ASN 64 -14.383 -2.817 -3.095 461 H ASN 65 H ASN 65 -11.514 0.727 0.766 462 HA ASN 65 HA ASN 65 -11.301 2.133 -1.746 463 1HB ASN 65 2HB ASN 65 -10.592 2.965 1.063 464 2HB ASN 65 1HB ASN 65 -10.565 4.019 -0.338 465 1HD2 ASN 65 1HD2 ASN 65 -12.075 5.406 0.629 466 2HD2 ASN 65 2HD2 ASN 65 -13.751 4.987 0.746 467 H ALA 66 H ALA 66 -9.290 0.351 0.413 468 HA ALA 66 HA ALA 66 -6.781 1.433 -0.359 469 1HB ALA 66 1HB ALA 66 -5.810 -0.490 0.755 470 2HB ALA 66 2HB ALA 66 -7.384 -1.285 0.800 471 3HB ALA 66 3HB ALA 66 -7.113 0.187 1.733 472 H GLU 67 H GLU 67 -8.760 -1.231 -1.524 473 HA GLU 67 HA GLU 67 -6.815 -2.134 -3.427 474 1HB GLU 67 2HB GLU 67 -8.710 -3.497 -4.307 475 2HB GLU 67 1HB GLU 67 -8.414 -3.715 -2.588 476 1HG GLU 67 2HG GLU 67 -10.260 -2.190 -2.086 477 2HG GLU 67 1HG GLU 67 -10.562 -2.004 -3.815 478 H ALA 68 H ALA 68 -8.854 0.504 -3.284 479 HA ALA 68 HA ALA 68 -9.164 0.800 -6.172 480 1HB ALA 68 1HB ALA 68 -10.392 2.868 -5.560 481 2HB ALA 68 2HB ALA 68 -10.044 2.543 -3.857 482 3HB ALA 68 3HB ALA 68 -11.054 1.430 -4.783 483 H LEU 69 H LEU 69 -7.116 1.690 -3.606 484 HA LEU 69 HA LEU 69 -6.101 4.148 -4.351 485 1HB LEU 69 2HB LEU 69 -5.652 3.208 -2.205 486 2HB LEU 69 1HB LEU 69 -4.832 1.832 -2.913 487 HG LEU 69 HG LEU 69 -3.002 3.282 -3.641 488 1HD1 LEU 69 1HD1 LEU 69 -4.274 5.333 -3.975 489 2HD1 LEU 69 2HD1 LEU 69 -2.899 5.603 -2.902 490 3HD1 LEU 69 3HD1 LEU 69 -4.526 5.468 -2.236 491 1HD2 LEU 69 1HD2 LEU 69 -2.098 3.778 -1.424 492 2HD2 LEU 69 2HD2 LEU 69 -2.889 2.203 -1.457 493 3HD2 LEU 69 3HD2 LEU 69 -3.704 3.582 -0.723 494 HA PRO 70 HA PRO 70 -2.468 1.859 -6.769 495 1HB PRO 70 2HB PRO 70 -3.367 -0.495 -7.944 496 2HB PRO 70 1HB PRO 70 -2.335 -0.396 -6.512 497 1HG PRO 70 2HG PRO 70 -5.289 -0.787 -6.693 498 2HG PRO 70 1HG PRO 70 -4.120 -1.549 -5.598 499 1HD PRO 70 2HD PRO 70 -5.697 0.429 -4.754 500 2HD PRO 70 1HD PRO 70 -4.005 0.320 -4.219 501 H GLY 71 H GLY 71 -5.829 1.359 -7.662 502 1HA GLY 71 2HA GLY 71 -5.530 1.626 -10.450 503 2HA GLY 71 1HA GLY 71 -7.024 1.851 -9.550 504 H LYS 72 H LYS 72 -6.133 4.018 -7.913 505 HA LYS 72 HA LYS 72 -6.655 6.125 -9.774 506 1HB LYS 72 2HB LYS 72 -5.953 6.363 -6.847 507 2HB LYS 72 1HB LYS 72 -6.740 7.579 -7.846 508 1HG LYS 72 2HG LYS 72 -7.867 4.945 -6.937 509 2HG LYS 72 1HG LYS 72 -8.408 6.565 -6.495 510 1HD LYS 72 2HD LYS 72 -8.522 5.359 -9.259 511 2HD LYS 72 1HD LYS 72 -9.888 5.522 -8.151 512 1HE LYS 72 2HE LYS 72 -8.253 7.863 -9.094 513 2HE LYS 72 1HE LYS 72 -9.678 7.286 -9.957 514 1HZ LYS 72 1HZ LYS 72 -9.622 8.246 -7.144 515 2HZ LYS 72 2HZ LYS 72 -10.992 7.669 -7.959 516 3HZ LYS 72 3HZ LYS 72 -10.237 9.097 -8.475 517 H CYS 73 H CYS 73 -3.863 5.222 -7.766 518 HA CYS 73 HA CYS 73 -2.302 7.468 -8.598 519 1HB CYS 73 2HB CYS 73 -1.336 4.890 -7.347 520 2HB CYS 73 1HB CYS 73 -0.472 6.431 -7.352 521 H GLY 74 H GLY 74 -3.167 4.612 -10.149 522 1HA GLY 74 2HA GLY 74 -2.753 4.088 -12.366 523 2HA GLY 74 1HA GLY 74 -1.532 5.358 -12.403 524 H VAL 75 H VAL 75 -1.652 2.773 -10.052 525 HA VAL 75 HA VAL 75 0.816 1.709 -11.232 526 HB VAL 75 HB VAL 75 1.517 1.236 -8.800 527 1HG1 VAL 75 1HG1 VAL 75 2.632 2.845 -10.264 528 2HG1 VAL 75 2HG1 VAL 75 2.551 3.447 -8.608 529 3HG1 VAL 75 3HG1 VAL 75 1.443 4.073 -9.829 530 1HG2 VAL 75 1HG2 VAL 75 0.662 2.871 -7.159 531 2HG2 VAL 75 2HG2 VAL 75 -0.594 1.763 -7.713 532 3HG2 VAL 75 3HG2 VAL 75 -0.531 3.410 -8.342 533 H ASN 76 H ASN 76 -0.525 0.130 -12.208 534 HA ASN 76 HA ASN 76 -1.871 -1.833 -10.609 535 1HB ASN 76 2HB ASN 76 -0.958 -1.880 -13.494 536 2HB ASN 76 1HB ASN 76 -1.859 -3.191 -12.734 537 1HD2 ASN 76 1HD2 ASN 76 -1.976 0.061 -13.932 538 2HD2 ASN 76 2HD2 ASN 76 -3.701 0.203 -13.941 539 H ILE 77 H ILE 77 -0.346 -2.410 -9.078 540 HA ILE 77 HA ILE 77 2.227 -3.425 -9.835 541 HB ILE 77 HB ILE 77 2.428 -4.009 -7.398 542 1HG1 ILE 77 2HG1 ILE 77 -0.339 -2.798 -7.360 543 2HG1 ILE 77 1HG1 ILE 77 0.181 -4.345 -6.705 544 1HG2 ILE 77 1HG2 ILE 77 1.720 -1.178 -8.140 545 2HG2 ILE 77 2HG2 ILE 77 3.300 -1.947 -8.286 546 3HG2 ILE 77 3HG2 ILE 77 2.604 -1.658 -6.691 547 1HD1 ILE 77 1HD1 ILE 77 -0.244 -2.755 -4.933 548 2HD1 ILE 77 2HD1 ILE 77 0.922 -1.634 -5.637 549 3HD1 ILE 77 3HD1 ILE 77 1.466 -3.180 -4.989 550 HA PRO 78 HA PRO 78 1.463 -7.645 -10.571 551 1HB PRO 78 2HB PRO 78 3.706 -8.331 -8.762 552 2HB PRO 78 1HB PRO 78 3.500 -8.677 -10.484 553 1HG PRO 78 2HG PRO 78 5.225 -6.817 -9.639 554 2HG PRO 78 1HG PRO 78 4.285 -6.598 -11.130 555 1HD PRO 78 2HD PRO 78 3.864 -5.399 -8.424 556 2HD PRO 78 1HD PRO 78 3.674 -4.661 -10.031 557 H TYR 79 H TYR 79 2.454 -7.232 -7.165 558 HA TYR 79 HA TYR 79 0.771 -9.423 -6.358 559 1HB TYR 79 2HB TYR 79 1.510 -8.752 -4.035 560 2HB TYR 79 1HB TYR 79 2.796 -9.219 -5.135 561 HD1 TYR 79 1HD TYR 79 0.995 -6.119 -4.047 562 HD2 TYR 79 2HD TYR 79 4.682 -7.924 -5.167 563 HE1 TYR 79 1HE TYR 79 2.174 -4.015 -3.558 564 HE2 TYR 79 2HE TYR 79 5.868 -5.825 -4.688 565 HH TYR 79 HH TYR 79 4.429 -3.247 -2.997 566 H LYS 80 H LYS 80 -0.770 -9.053 -4.469 567 HA LYS 80 HA LYS 80 -2.476 -6.808 -5.272 568 1HB LYS 80 2HB LYS 80 -3.284 -9.336 -3.838 569 2HB LYS 80 1HB LYS 80 -4.363 -8.098 -4.472 570 1HG LYS 80 2HG LYS 80 -2.631 -10.000 -6.010 571 2HG LYS 80 1HG LYS 80 -4.391 -9.880 -6.010 572 1HD LYS 80 2HD LYS 80 -4.259 -7.698 -7.083 573 2HD LYS 80 1HD LYS 80 -2.493 -7.760 -7.018 574 1HE LYS 80 2HE LYS 80 -4.247 -9.712 -8.514 575 2HE LYS 80 1HE LYS 80 -3.402 -8.348 -9.244 576 1HZ LYS 80 1HZ LYS 80 -2.249 -10.537 -9.437 577 2HZ LYS 80 2HZ LYS 80 -2.017 -10.514 -7.757 578 3HZ LYS 80 3HZ LYS 80 -1.317 -9.313 -8.726 579 H ILE 81 H ILE 81 -2.946 -5.262 -3.957 580 HA ILE 81 HA ILE 81 -1.743 -5.040 -1.390 581 HB ILE 81 HB ILE 81 -2.079 -3.073 -2.757 582 1HG1 ILE 81 2HG1 ILE 81 -3.752 -3.036 -0.238 583 2HG1 ILE 81 1HG1 ILE 81 -2.027 -2.701 -0.362 584 1HG2 ILE 81 1HG2 ILE 81 -4.098 -3.764 -3.927 585 2HG2 ILE 81 2HG2 ILE 81 -4.300 -2.163 -3.215 586 3HG2 ILE 81 3HG2 ILE 81 -5.036 -3.569 -2.447 587 1HD1 ILE 81 1HD1 ILE 81 -2.511 -0.720 -1.691 588 2HD1 ILE 81 2HD1 ILE 81 -3.315 -0.661 -0.123 589 3HD1 ILE 81 3HD1 ILE 81 -4.236 -1.066 -1.572 590 H SER 82 H SER 82 -4.838 -6.069 -2.527 591 HA SER 82 HA SER 82 -6.331 -5.825 -0.147 592 1HB SER 82 2HB SER 82 -6.798 -7.843 -2.340 593 2HB SER 82 1HB SER 82 -8.001 -7.083 -1.289 594 HG SER 82 HG SER 82 -8.074 -6.020 -3.238 595 H THR 83 H THR 83 -3.685 -7.284 0.023 596 HA THR 83 HA THR 83 -2.701 -8.961 1.165 597 HB THR 83 HB THR 83 -3.747 -9.771 3.186 598 HG1 THR 83 1HG THR 83 -6.116 -8.962 1.896 599 1HG2 THR 83 1HG2 THR 83 -4.286 -7.648 4.265 600 2HG2 THR 83 2HG2 THR 83 -4.475 -6.884 2.687 601 3HG2 THR 83 3HG2 THR 83 -2.895 -7.477 3.194 602 H SER 84 H SER 84 -4.454 -9.673 -1.238 603 HA SER 84 HA SER 84 -5.132 -12.445 -0.604 604 1HB SER 84 2HB SER 84 -5.625 -10.925 -3.174 605 2HB SER 84 1HB SER 84 -6.391 -12.431 -2.658 606 HG SER 84 HG SER 84 -7.865 -10.997 -2.054 607 H THR 85 H THR 85 -2.340 -11.427 -0.943 608 HA THR 85 HA THR 85 -1.492 -13.207 -3.123 609 HB THR 85 HB THR 85 -1.472 -10.806 -3.883 610 HG1 THR 85 1HG THR 85 1.209 -11.701 -3.695 611 1HG2 THR 85 1HG2 THR 85 -0.890 -9.827 -1.689 612 2HG2 THR 85 2HG2 THR 85 0.190 -9.292 -2.972 613 3HG2 THR 85 3HG2 THR 85 0.724 -10.523 -1.829 614 H ASN 86 H ASN 86 0.802 -13.778 -2.971 615 HA ASN 86 HA ASN 86 1.678 -14.085 -0.232 616 1HB ASN 86 2HB ASN 86 3.507 -15.437 -1.207 617 2HB ASN 86 1HB ASN 86 1.916 -15.982 -1.730 618 1HD2 ASN 86 1HD2 ASN 86 2.762 -17.039 -3.504 619 2HD2 ASN 86 2HD2 ASN 86 3.343 -16.186 -4.904 620 H CYS 87 H CYS 87 3.737 -13.308 0.525 621 HA CYS 87 HA CYS 87 4.811 -11.060 -1.030 622 1HB CYS 87 2HB CYS 87 3.935 -10.908 1.862 623 2HB CYS 87 1HB CYS 87 4.853 -9.657 1.030 624 H ASN 88 H ASN 88 5.429 -13.796 0.835 625 HA ASN 88 HA ASN 88 7.810 -12.882 2.135 626 1HB ASN 88 2HB ASN 88 6.378 -14.835 2.881 627 2HB ASN 88 1HB ASN 88 7.066 -15.753 1.545 628 1HD2 ASN 88 1HD2 ASN 88 8.030 -17.248 2.916 629 2HD2 ASN 88 2HD2 ASN 88 9.425 -16.852 3.874 630 H SER 89 H SER 89 7.123 -13.542 -1.054 631 HA SER 89 HA SER 89 9.968 -13.816 -1.665 632 1HB SER 89 2HB SER 89 9.245 -15.379 -3.568 633 2HB SER 89 1HB SER 89 9.228 -16.054 -1.937 634 HG SER 89 HG SER 89 7.242 -16.016 -3.625 635 H ILE 90 H ILE 90 6.812 -13.542 -3.204 636 HA ILE 90 HA ILE 90 5.933 -12.328 -4.856 637 HB ILE 90 HB ILE 90 6.079 -9.993 -4.836 638 1HG1 ILE 90 2HG1 ILE 90 8.615 -10.160 -3.202 639 2HG1 ILE 90 1HG1 ILE 90 8.567 -9.852 -4.941 640 1HG2 ILE 90 1HG2 ILE 90 5.845 -9.432 -2.468 641 2HG2 ILE 90 2HG2 ILE 90 6.542 -10.994 -2.042 642 3HG2 ILE 90 3HG2 ILE 90 5.002 -10.918 -2.897 643 1HD1 ILE 90 1HD1 ILE 90 7.294 -7.807 -4.527 644 2HD1 ILE 90 2HD1 ILE 90 8.839 -7.795 -3.678 645 3HD1 ILE 90 3HD1 ILE 90 7.350 -8.124 -2.791 646 H ASN 91 H ASN 91 6.083 -12.213 -6.910 647 HA ASN 91 HA ASN 91 8.492 -11.251 -8.214 648 1HB ASN 91 2HB ASN 91 7.501 -14.071 -8.466 649 2HB ASN 91 1HB ASN 91 8.279 -13.299 -9.844 650 1HD2 ASN 91 1HD2 ASN 91 8.697 -14.686 -6.718 651 2HD2 ASN 91 2HD2 ASN 91 10.425 -14.657 -6.699 Start of MODEL 10 1 1H MET 1 1HT MET 1 13.407 1.514 5.093 2 2H MET 1 2HT MET 1 13.555 0.449 3.783 3 3H MET 1 3HT MET 1 14.193 0.025 5.295 4 HA MET 1 HA MET 1 11.313 0.453 4.730 5 1HB MET 1 2HB MET 1 11.846 -1.558 3.613 6 2HB MET 1 1HB MET 1 12.995 -2.047 4.860 7 1HG MET 1 2HG MET 1 11.150 -3.419 5.229 8 2HG MET 1 1HG MET 1 10.977 -2.134 6.427 9 1HE MET 1 1HE MET 1 8.592 -3.941 5.956 10 2HE MET 1 2HE MET 1 7.268 -2.805 5.715 11 3HE MET 1 3HE MET 1 8.487 -2.485 6.948 12 H THR 2 H THR 2 10.194 0.852 6.358 13 HA THR 2 HA THR 2 10.564 -0.752 8.731 14 HB THR 2 HB THR 2 11.628 1.199 9.571 15 HG1 THR 2 1HG THR 2 10.114 0.563 11.051 16 1HG2 THR 2 1HG2 THR 2 11.012 2.711 7.715 17 2HG2 THR 2 2HG2 THR 2 10.820 3.460 9.301 18 3HG2 THR 2 3HG2 THR 2 9.405 2.886 8.421 19 H CYS 3 H CYS 3 8.468 -0.915 9.907 20 HA CYS 3 HA CYS 3 6.296 -0.850 8.026 21 1HB CYS 3 2HB CYS 3 6.723 -2.499 10.036 22 2HB CYS 3 1HB CYS 3 5.837 -1.280 10.954 23 H GLY 4 H GLY 4 7.783 1.559 9.257 24 1HA GLY 4 2HA GLY 4 5.363 3.167 9.826 25 2HA GLY 4 1HA GLY 4 7.001 3.612 10.310 26 H GLN 5 H GLN 5 7.875 2.445 7.657 27 HA GLN 5 HA GLN 5 7.882 4.835 6.105 28 1HB GLN 5 2HB GLN 5 9.777 3.461 5.881 29 2HB GLN 5 1HB GLN 5 8.814 2.005 5.713 30 1HG GLN 5 2HG GLN 5 8.030 3.263 3.503 31 2HG GLN 5 1HG GLN 5 9.629 3.992 3.692 32 1HE2 GLN 5 1HE2 GLN 5 10.369 2.897 1.814 33 2HE2 GLN 5 2HE2 GLN 5 10.698 1.186 1.839 34 H VAL 6 H VAL 6 6.530 1.602 5.657 35 HA VAL 6 HA VAL 6 4.846 2.136 3.482 36 HB VAL 6 HB VAL 6 4.407 0.157 5.732 37 1HG1 VAL 6 1HG1 VAL 6 3.309 0.232 2.925 38 2HG1 VAL 6 2HG1 VAL 6 2.401 0.447 4.421 39 3HG1 VAL 6 3HG1 VAL 6 3.129 -1.117 4.049 40 1HG2 VAL 6 1HG2 VAL 6 5.523 -1.448 4.227 41 2HG2 VAL 6 2HG2 VAL 6 6.585 -0.143 4.760 42 3HG2 VAL 6 3HG2 VAL 6 5.897 -0.112 3.137 43 H GLN 7 H GLN 7 4.303 2.303 6.962 44 HA GLN 7 HA GLN 7 1.570 2.836 6.935 45 1HB GLN 7 2HB GLN 7 2.824 2.204 8.955 46 2HB GLN 7 1HB GLN 7 3.629 3.771 8.938 47 1HG GLN 7 2HG GLN 7 1.498 4.886 9.277 48 2HG GLN 7 1HG GLN 7 0.669 3.331 9.250 49 1HE2 GLN 7 1HE2 GLN 7 2.828 2.003 10.725 50 2HE2 GLN 7 2HE2 GLN 7 2.635 2.508 12.367 51 H GLY 8 H GLY 8 4.345 5.036 6.743 52 1HA GLY 8 2HA GLY 8 2.874 7.445 6.856 53 2HA GLY 8 1HA GLY 8 4.472 7.252 6.148 54 H ASN 9 H ASN 9 3.873 5.411 4.153 55 HA ASN 9 HA ASN 9 2.877 7.050 2.082 56 1HB ASN 9 2HB ASN 9 3.381 4.067 2.177 57 2HB ASN 9 1HB ASN 9 2.972 4.965 0.711 58 1HD2 ASN 9 1HD2 ASN 9 4.512 7.320 1.739 59 2HD2 ASN 9 2HD2 ASN 9 6.172 6.915 1.455 60 H LEU 10 H LEU 10 1.432 4.239 3.714 61 HA LEU 10 HA LEU 10 -1.015 4.463 2.285 62 1HB LEU 10 2HB LEU 10 -0.010 2.847 4.553 63 2HB LEU 10 1HB LEU 10 -1.752 3.009 4.408 64 HG LEU 10 HG LEU 10 -1.613 2.125 2.096 65 1HD1 LEU 10 1HD1 LEU 10 1.291 1.677 2.782 66 2HD1 LEU 10 2HD1 LEU 10 0.660 2.770 1.551 67 3HD1 LEU 10 3HD1 LEU 10 0.459 1.029 1.367 68 1HD2 LEU 10 1HD2 LEU 10 -0.401 0.366 4.223 69 2HD2 LEU 10 2HD2 LEU 10 -1.160 -0.189 2.731 70 3HD2 LEU 10 3HD2 LEU 10 -2.124 0.641 3.951 71 H ALA 11 H ALA 11 0.157 5.914 5.236 72 HA ALA 11 HA ALA 11 -2.233 6.534 6.522 73 1HB ALA 11 1HB ALA 11 -0.057 6.867 7.562 74 2HB ALA 11 2HB ALA 11 -1.015 8.347 7.622 75 3HB ALA 11 3HB ALA 11 0.287 8.186 6.442 76 H GLN 12 H GLN 12 -0.588 8.233 3.910 77 HA GLN 12 HA GLN 12 -2.252 10.536 3.971 78 1HB GLN 12 2HB GLN 12 -0.612 9.422 1.700 79 2HB GLN 12 1HB GLN 12 -1.296 11.039 1.768 80 1HG GLN 12 2HG GLN 12 0.712 9.985 3.733 81 2HG GLN 12 1HG GLN 12 1.140 10.877 2.281 82 1HE2 GLN 12 1HE2 GLN 12 -1.673 11.599 4.288 83 2HE2 GLN 12 2HE2 GLN 12 -1.087 13.121 4.867 84 H CYS 13 H CYS 13 -2.596 7.389 2.652 85 HA CYS 13 HA CYS 13 -4.728 8.208 0.845 86 1HB CYS 13 2HB CYS 13 -3.511 5.502 1.400 87 2HB CYS 13 1HB CYS 13 -4.752 5.817 0.197 88 H ILE 14 H ILE 14 -4.293 7.069 4.022 89 HA ILE 14 HA ILE 14 -6.460 5.385 4.433 90 HB ILE 14 HB ILE 14 -4.997 7.221 6.315 91 1HG1 ILE 14 2HG1 ILE 14 -5.189 4.204 6.069 92 2HG1 ILE 14 1HG1 ILE 14 -3.855 5.207 5.486 93 1HG2 ILE 14 1HG2 ILE 14 -7.244 5.355 7.065 94 2HG2 ILE 14 2HG2 ILE 14 -7.268 7.114 7.178 95 3HG2 ILE 14 3HG2 ILE 14 -6.174 6.181 8.200 96 1HD1 ILE 14 1HD1 ILE 14 -4.686 4.845 8.358 97 2HD1 ILE 14 2HD1 ILE 14 -3.377 5.882 7.791 98 3HD1 ILE 14 3HD1 ILE 14 -3.276 4.134 7.574 99 H GLY 15 H GLY 15 -6.489 8.895 4.166 100 1HA GLY 15 2HA GLY 15 -9.030 9.435 5.196 101 2HA GLY 15 1HA GLY 15 -8.294 10.285 3.855 102 H PHE 16 H PHE 16 -8.312 9.022 1.768 103 HA PHE 16 HA PHE 16 -10.932 8.469 0.937 104 1HB PHE 16 2HB PHE 16 -9.429 9.102 -0.744 105 2HB PHE 16 1HB PHE 16 -8.198 7.972 -0.186 106 HD1 PHE 16 1HD PHE 16 -11.381 8.288 -2.019 107 HD2 PHE 16 2HD PHE 16 -8.132 5.730 -1.002 108 HE1 PHE 16 1HE PHE 16 -12.127 6.675 -3.717 109 HE2 PHE 16 2HE PHE 16 -8.869 4.116 -2.707 110 HZ PHE 16 HZ PHE 16 -10.844 4.575 -4.065 111 H LEU 17 H LEU 17 -8.316 6.457 2.042 112 HA LEU 17 HA LEU 17 -9.211 3.904 1.448 113 1HB LEU 17 2HB LEU 17 -7.047 4.885 2.593 114 2HB LEU 17 1HB LEU 17 -7.929 4.549 4.072 115 HG LEU 17 HG LEU 17 -8.063 2.185 3.423 116 1HD1 LEU 17 1HD1 LEU 17 -6.672 1.366 1.588 117 2HD1 LEU 17 2HD1 LEU 17 -6.248 3.027 1.168 118 3HD1 LEU 17 3HD1 LEU 17 -7.915 2.470 0.999 119 1HD2 LEU 17 1HD2 LEU 17 -5.276 3.318 3.483 120 2HD2 LEU 17 2HD2 LEU 17 -5.729 1.657 3.868 121 3HD2 LEU 17 3HD2 LEU 17 -6.287 2.983 4.889 122 H GLN 18 H GLN 18 -9.900 5.949 4.277 123 HA GLN 18 HA GLN 18 -11.565 3.869 5.417 124 1HB GLN 18 2HB GLN 18 -9.888 4.947 6.826 125 2HB GLN 18 1HB GLN 18 -10.607 6.520 6.500 126 1HG GLN 18 2HG GLN 18 -12.687 5.715 7.527 127 2HG GLN 18 1HG GLN 18 -11.847 4.232 7.974 128 1HE2 GLN 18 1HE2 GLN 18 -9.343 5.637 8.524 129 2HE2 GLN 18 2HE2 GLN 18 -9.573 6.444 10.036 130 H LYS 19 H LYS 19 -11.795 7.332 4.608 131 HA LYS 19 HA LYS 19 -14.704 7.114 4.994 132 1HB LYS 19 2HB LYS 19 -12.981 9.596 4.833 133 2HB LYS 19 1HB LYS 19 -14.693 9.539 5.244 134 1HG LYS 19 2HG LYS 19 -14.167 8.214 7.232 135 2HG LYS 19 1HG LYS 19 -12.453 8.297 6.830 136 1HD LYS 19 2HD LYS 19 -12.581 10.769 7.017 137 2HD LYS 19 1HD LYS 19 -14.262 10.604 7.538 138 1HE LYS 19 2HE LYS 19 -13.506 9.184 9.411 139 2HE LYS 19 1HE LYS 19 -11.839 9.452 8.915 140 1HZ LYS 19 1HZ LYS 19 -12.290 10.935 10.661 141 2HZ LYS 19 2HZ LYS 19 -13.753 11.444 9.978 142 3HZ LYS 19 3HZ LYS 19 -12.288 11.882 9.253 143 H GLY 20 H GLY 20 -12.250 8.028 2.671 144 1HA GLY 20 2HA GLY 20 -12.412 7.894 0.359 145 2HA GLY 20 1HA GLY 20 -14.135 7.559 0.527 146 H GLY 21 H GLY 21 -13.849 9.091 -1.447 147 1HA GLY 21 2HA GLY 21 -15.184 11.129 -1.772 148 2HA GLY 21 1HA GLY 21 -14.274 11.839 -0.444 149 H VAL 22 H VAL 22 -11.685 11.175 -1.099 150 HA VAL 22 HA VAL 22 -11.154 12.044 -3.798 151 HB VAL 22 HB VAL 22 -11.743 14.173 -2.734 152 1HG1 VAL 22 1HG1 VAL 22 -9.484 13.580 -0.830 153 2HG1 VAL 22 2HG1 VAL 22 -11.201 13.634 -0.433 154 3HG1 VAL 22 3HG1 VAL 22 -10.367 15.105 -0.936 155 1HG2 VAL 22 1HG2 VAL 22 -10.088 14.233 -4.493 156 2HG2 VAL 22 2HG2 VAL 22 -8.800 13.902 -3.334 157 3HG2 VAL 22 3HG2 VAL 22 -9.685 15.426 -3.258 158 H VAL 23 H VAL 23 -9.083 11.603 -4.440 159 HA VAL 23 HA VAL 23 -7.251 10.546 -2.395 160 HB VAL 23 HB VAL 23 -7.160 10.168 -5.394 161 1HG1 VAL 23 1HG1 VAL 23 -5.373 8.521 -4.871 162 2HG1 VAL 23 2HG1 VAL 23 -5.394 9.082 -3.198 163 3HG1 VAL 23 3HG1 VAL 23 -4.917 10.183 -4.493 164 1HG2 VAL 23 1HG2 VAL 23 -7.670 7.816 -4.861 165 2HG2 VAL 23 2HG2 VAL 23 -8.968 8.912 -4.375 166 3HG2 VAL 23 3HG2 VAL 23 -7.857 8.266 -3.163 167 HA PRO 24 HA PRO 24 -4.989 14.348 -3.105 168 1HB PRO 24 2HB PRO 24 -3.241 14.021 -1.081 169 2HB PRO 24 1HB PRO 24 -4.918 14.500 -0.801 170 1HG PRO 24 2HG PRO 24 -3.645 11.803 -0.532 171 2HG PRO 24 1HG PRO 24 -4.824 12.599 0.535 172 1HD PRO 24 2HD PRO 24 -5.468 10.695 -1.326 173 2HD PRO 24 1HD PRO 24 -6.594 11.946 -0.756 174 HA PRO 25 HA PRO 25 -1.573 12.816 -5.538 175 1HB PRO 25 2HB PRO 25 -0.351 15.464 -5.252 176 2HB PRO 25 1HB PRO 25 -1.008 14.686 -6.699 177 1HG PRO 25 2HG PRO 25 -2.208 16.799 -5.516 178 2HG PRO 25 1HG PRO 25 -3.117 15.527 -6.352 179 1HD PRO 25 2HD PRO 25 -2.676 15.929 -3.417 180 2HD PRO 25 1HD PRO 25 -4.150 15.435 -4.278 181 H SER 26 H SER 26 -1.451 13.559 -2.372 182 HA SER 26 HA SER 26 1.446 13.407 -2.028 183 1HB SER 26 2HB SER 26 -0.686 13.539 0.117 184 2HB SER 26 1HB SER 26 1.026 13.956 0.269 185 HG SER 26 HG SER 26 0.618 15.697 -1.206 186 H CYS 27 H CYS 27 -1.547 11.804 -1.258 187 HA CYS 27 HA CYS 27 -0.559 9.444 -0.107 188 1HB CYS 27 2HB CYS 27 -2.818 9.572 0.232 189 2HB CYS 27 1HB CYS 27 -3.076 10.487 -1.247 190 H CYS 28 H CYS 28 -1.368 10.294 -3.472 191 HA CYS 28 HA CYS 28 -0.677 7.727 -4.415 192 1HB CYS 28 2HB CYS 28 -1.431 10.275 -5.714 193 2HB CYS 28 1HB CYS 28 -0.662 9.032 -6.700 194 H THR 29 H THR 29 1.066 10.774 -4.239 195 HA THR 29 HA THR 29 3.367 9.904 -5.618 196 HB THR 29 HB THR 29 2.866 12.088 -3.614 197 HG1 THR 29 1HG THR 29 2.144 12.682 -5.573 198 1HG2 THR 29 1HG2 THR 29 5.128 12.931 -4.007 199 2HG2 THR 29 2HG2 THR 29 5.501 11.493 -4.960 200 3HG2 THR 29 3HG2 THR 29 5.158 11.347 -3.236 201 H GLY 30 H GLY 30 2.406 9.752 -2.217 202 1HA GLY 30 2HA GLY 30 4.919 8.820 -1.278 203 2HA GLY 30 1HA GLY 30 3.415 8.770 -0.406 204 H VAL 31 H VAL 31 1.827 7.129 -1.814 205 HA VAL 31 HA VAL 31 2.853 4.608 -1.080 206 HB VAL 31 HB VAL 31 0.516 5.247 -2.886 207 1HG1 VAL 31 1HG1 VAL 31 1.263 2.976 -3.218 208 2HG1 VAL 31 2HG1 VAL 31 -0.240 2.983 -2.294 209 3HG1 VAL 31 3HG1 VAL 31 1.299 2.714 -1.474 210 1HG2 VAL 31 1HG2 VAL 31 0.646 4.622 0.057 211 2HG2 VAL 31 2HG2 VAL 31 -0.829 4.857 -0.881 212 3HG2 VAL 31 3HG2 VAL 31 0.297 6.196 -0.651 213 H LYS 32 H LYS 32 2.950 6.422 -4.051 214 HA LYS 32 HA LYS 32 3.773 4.383 -5.775 215 1HB LYS 32 2HB LYS 32 3.205 6.615 -6.597 216 2HB LYS 32 1HB LYS 32 4.593 7.298 -5.761 217 1HG LYS 32 2HG LYS 32 6.117 6.265 -7.217 218 2HG LYS 32 1HG LYS 32 4.891 5.172 -7.857 219 1HD LYS 32 2HD LYS 32 4.787 8.160 -8.210 220 2HD LYS 32 1HD LYS 32 5.558 7.075 -9.366 221 1HE LYS 32 2HE LYS 32 3.372 5.844 -9.511 222 2HE LYS 32 1HE LYS 32 2.658 7.147 -8.561 223 1HZ LYS 32 1HZ LYS 32 3.185 8.708 -10.278 224 2HZ LYS 32 2HZ LYS 32 2.375 7.404 -10.994 225 3HZ LYS 32 3HZ LYS 32 4.056 7.547 -11.151 226 H ASN 33 H ASN 33 5.434 6.005 -3.139 227 HA ASN 33 HA ASN 33 8.042 5.055 -3.893 228 1HB ASN 33 2HB ASN 33 7.715 6.911 -2.253 229 2HB ASN 33 1HB ASN 33 7.042 5.734 -1.115 230 1HD2 ASN 33 1HD2 ASN 33 9.932 6.877 -2.684 231 2HD2 ASN 33 2HD2 ASN 33 11.048 5.989 -1.691 232 H ILE 34 H ILE 34 5.492 3.832 -1.733 233 HA ILE 34 HA ILE 34 7.096 1.663 -0.844 234 HB ILE 34 HB ILE 34 4.807 2.880 0.086 235 1HG1 ILE 34 2HG1 ILE 34 5.097 1.501 1.985 236 2HG1 ILE 34 1HG1 ILE 34 5.794 0.199 1.023 237 1HG2 ILE 34 1HG2 ILE 34 3.369 1.518 -1.349 238 2HG2 ILE 34 2HG2 ILE 34 3.134 1.119 0.353 239 3HG2 ILE 34 3HG2 ILE 34 4.085 0.050 -0.678 240 1HD1 ILE 34 1HD1 ILE 34 7.070 2.881 1.492 241 2HD1 ILE 34 2HD1 ILE 34 7.781 1.518 0.624 242 3HD1 ILE 34 3HD1 ILE 34 7.463 1.395 2.356 243 H LEU 35 H LEU 35 5.184 2.129 -3.591 244 HA LEU 35 HA LEU 35 4.872 -0.754 -3.994 245 1HB LEU 35 2HB LEU 35 3.220 1.474 -4.480 246 2HB LEU 35 1HB LEU 35 3.680 0.846 -6.053 247 HG LEU 35 HG LEU 35 2.848 -1.344 -5.448 248 1HD1 LEU 35 1HD1 LEU 35 3.302 -1.249 -3.045 249 2HD1 LEU 35 2HD1 LEU 35 1.628 -1.707 -3.363 250 3HD1 LEU 35 3HD1 LEU 35 2.010 -0.063 -2.846 251 1HD2 LEU 35 1HD2 LEU 35 0.473 -0.818 -5.400 252 2HD2 LEU 35 2HD2 LEU 35 1.335 0.266 -6.491 253 3HD2 LEU 35 3HD2 LEU 35 0.839 0.832 -4.896 254 H ASN 36 H ASN 36 5.961 2.136 -5.685 255 HA ASN 36 HA ASN 36 7.262 0.478 -7.702 256 1HB ASN 36 2HB ASN 36 5.958 2.336 -8.549 257 2HB ASN 36 1HB ASN 36 6.848 3.468 -7.533 258 1HD2 ASN 36 1HD2 ASN 36 8.800 4.226 -8.199 259 2HD2 ASN 36 2HD2 ASN 36 9.497 3.861 -9.742 260 H SER 37 H SER 37 8.086 2.964 -5.314 261 HA SER 37 HA SER 37 10.869 2.889 -6.114 262 1HB SER 37 2HB SER 37 9.513 4.520 -3.957 263 2HB SER 37 1HB SER 37 11.155 4.759 -4.570 264 HG SER 37 HG SER 37 10.303 5.949 -6.053 265 H SER 38 H SER 38 9.113 0.927 -4.134 266 HA SER 38 HA SER 38 10.797 0.489 -1.931 267 1HB SER 38 2HB SER 38 9.858 -1.788 -1.948 268 2HB SER 38 1HB SER 38 8.604 -0.584 -2.213 269 HG SER 38 HG SER 38 9.891 -1.719 -4.428 270 H ARG 39 H ARG 39 12.871 0.287 -1.995 271 HA ARG 39 HA ARG 39 14.241 0.458 -4.386 272 1HB ARG 39 2HB ARG 39 15.272 -0.234 -1.640 273 2HB ARG 39 1HB ARG 39 16.286 0.247 -2.999 274 1HG ARG 39 2HG ARG 39 15.504 2.424 -2.972 275 2HG ARG 39 1HG ARG 39 14.047 2.004 -2.072 276 1HD ARG 39 2HD ARG 39 16.869 2.028 -1.018 277 2HD ARG 39 1HD ARG 39 15.600 3.196 -0.648 278 HE ARG 39 HE ARG 39 14.499 0.844 0.102 279 1HH1 ARG 39 1HH1 ARG 39 17.502 2.466 0.862 280 2HH1 ARG 39 2HH1 ARG 39 17.682 1.669 2.397 281 1HH2 ARG 39 1HH2 ARG 39 14.724 -0.203 2.110 282 2HH2 ARG 39 2HH2 ARG 39 16.121 0.152 3.107 283 H THR 40 H THR 40 14.985 -2.107 -2.083 284 HA THR 40 HA THR 40 15.794 -3.749 -4.368 285 HB THR 40 HB THR 40 17.195 -4.943 -2.679 286 HG1 THR 40 1HG THR 40 17.420 -3.586 -0.654 287 1HG2 THR 40 1HG2 THR 40 18.818 -3.101 -2.350 288 2HG2 THR 40 2HG2 THR 40 17.580 -1.944 -2.851 289 3HG2 THR 40 3HG2 THR 40 18.184 -3.147 -3.996 290 H THR 41 H THR 41 15.734 -6.200 -3.693 291 HA THR 41 HA THR 41 13.087 -7.029 -3.376 292 HB THR 41 HB THR 41 15.535 -8.625 -2.653 293 HG1 THR 41 1HG THR 41 14.399 -7.934 -5.177 294 1HG2 THR 41 1HG2 THR 41 13.399 -9.673 -2.058 295 2HG2 THR 41 2HG2 THR 41 14.183 -10.543 -3.379 296 3HG2 THR 41 3HG2 THR 41 12.828 -9.462 -3.713 297 H ALA 42 H ALA 42 15.731 -6.677 -1.058 298 HA ALA 42 HA ALA 42 14.398 -7.721 1.195 299 1HB ALA 42 1HB ALA 42 16.567 -5.624 1.127 300 2HB ALA 42 2HB ALA 42 16.832 -7.368 1.088 301 3HB ALA 42 3HB ALA 42 16.112 -6.619 2.512 302 H ASP 43 H ASP 43 14.015 -4.752 -0.500 303 HA ASP 43 HA ASP 43 12.774 -3.409 1.778 304 1HB ASP 43 2HB ASP 43 14.343 -2.344 -0.028 305 2HB ASP 43 1HB ASP 43 12.903 -2.338 -1.033 306 H ARG 44 H ARG 44 12.037 -4.825 -1.349 307 HA ARG 44 HA ARG 44 9.268 -4.126 -1.402 308 1HB ARG 44 2HB ARG 44 10.825 -6.215 -2.932 309 2HB ARG 44 1HB ARG 44 9.162 -5.752 -3.284 310 1HG ARG 44 2HG ARG 44 9.841 -3.539 -3.887 311 2HG ARG 44 1HG ARG 44 11.491 -3.847 -3.349 312 1HD ARG 44 2HD ARG 44 11.214 -3.942 -5.810 313 2HD ARG 44 1HD ARG 44 11.831 -5.437 -5.109 314 HE ARG 44 HE ARG 44 9.786 -6.493 -5.579 315 1HH1 ARG 44 1HH1 ARG 44 9.795 -3.142 -6.643 316 2HH1 ARG 44 2HH1 ARG 44 8.431 -3.356 -7.701 317 1HH2 ARG 44 1HH2 ARG 44 8.057 -6.778 -7.000 318 2HH2 ARG 44 2HH2 ARG 44 7.454 -5.427 -7.916 319 H ARG 45 H ARG 45 11.041 -7.063 -0.605 320 HA ARG 45 HA ARG 45 8.698 -8.644 -0.126 321 1HB ARG 45 2HB ARG 45 10.809 -9.590 -0.933 322 2HB ARG 45 1HB ARG 45 11.618 -9.077 0.534 323 1HG ARG 45 2HG ARG 45 11.196 -11.428 0.605 324 2HG ARG 45 1HG ARG 45 10.215 -10.607 1.821 325 1HD ARG 45 2HD ARG 45 8.243 -10.933 0.602 326 2HD ARG 45 1HD ARG 45 9.123 -11.281 -0.889 327 HE ARG 45 HE ARG 45 9.524 -13.444 -0.153 328 1HH1 ARG 45 1HH1 ARG 45 7.777 -11.583 2.241 329 2HH1 ARG 45 2HH1 ARG 45 7.498 -12.936 3.290 330 1HH2 ARG 45 1HH2 ARG 45 9.130 -15.246 1.193 331 2HH2 ARG 45 2HH2 ARG 45 8.249 -15.041 2.684 332 H ALA 46 H ALA 46 10.233 -6.269 1.596 333 HA ALA 46 HA ALA 46 9.294 -7.231 4.184 334 1HB ALA 46 1HB ALA 46 10.831 -4.733 3.488 335 2HB ALA 46 2HB ALA 46 11.510 -6.230 4.130 336 3HB ALA 46 3HB ALA 46 10.411 -5.266 5.117 337 H VAL 47 H VAL 47 8.754 -4.528 1.899 338 HA VAL 47 HA VAL 47 6.810 -3.247 3.476 339 HB VAL 47 HB VAL 47 7.639 -1.879 1.796 340 1HG1 VAL 47 1HG1 VAL 47 8.542 -3.568 0.311 341 2HG1 VAL 47 2HG1 VAL 47 7.625 -2.354 -0.579 342 3HG1 VAL 47 3HG1 VAL 47 6.914 -3.941 -0.265 343 1HG2 VAL 47 1HG2 VAL 47 5.729 -1.218 0.446 344 2HG2 VAL 47 2HG2 VAL 47 5.233 -1.609 2.094 345 3HG2 VAL 47 3HG2 VAL 47 4.945 -2.760 0.789 346 H CYS 48 H CYS 48 6.473 -5.745 0.988 347 HA CYS 48 HA CYS 48 3.680 -5.798 0.903 348 1HB CYS 48 2HB CYS 48 3.876 -8.158 0.169 349 2HB CYS 48 1HB CYS 48 4.952 -7.074 -0.705 350 H SER 49 H SER 49 5.907 -7.140 3.214 351 HA SER 49 HA SER 49 4.020 -8.634 4.705 352 1HB SER 49 2HB SER 49 6.443 -9.014 4.869 353 2HB SER 49 1HB SER 49 6.652 -7.411 5.569 354 HG SER 49 HG SER 49 5.360 -9.665 6.684 355 H CYS 50 H CYS 50 5.406 -5.379 5.220 356 HA CYS 50 HA CYS 50 3.857 -4.778 7.489 357 1HB CYS 50 2HB CYS 50 5.855 -3.489 6.874 358 2HB CYS 50 1HB CYS 50 5.016 -2.865 5.455 359 H LEU 51 H LEU 51 3.226 -4.283 4.028 360 HA LEU 51 HA LEU 51 0.858 -2.902 4.069 361 1HB LEU 51 2HB LEU 51 1.680 -5.248 2.369 362 2HB LEU 51 1HB LEU 51 0.205 -4.347 2.084 363 HG LEU 51 HG LEU 51 2.974 -3.141 2.024 364 1HD1 LEU 51 1HD1 LEU 51 2.707 -3.107 -0.402 365 2HD1 LEU 51 2HD1 LEU 51 1.169 -3.958 -0.254 366 3HD1 LEU 51 3HD1 LEU 51 2.669 -4.759 0.214 367 1HD2 LEU 51 1HD2 LEU 51 1.839 -1.250 0.965 368 2HD2 LEU 51 2HD2 LEU 51 1.223 -1.547 2.590 369 3HD2 LEU 51 3HD2 LEU 51 0.287 -2.058 1.185 370 H LYS 52 H LYS 52 1.383 -6.196 5.159 371 HA LYS 52 HA LYS 52 -1.405 -6.878 5.084 372 1HB LYS 52 2HB LYS 52 0.887 -8.278 6.469 373 2HB LYS 52 1HB LYS 52 -0.724 -8.943 6.230 374 1HG LYS 52 2HG LYS 52 1.184 -8.167 4.036 375 2HG LYS 52 1HG LYS 52 0.892 -9.810 4.612 376 1HD LYS 52 2HD LYS 52 -1.296 -9.837 3.779 377 2HD LYS 52 1HD LYS 52 -1.352 -8.078 3.623 378 1HE LYS 52 2HE LYS 52 0.479 -9.848 2.019 379 2HE LYS 52 1HE LYS 52 -1.115 -9.328 1.469 380 1HZ LYS 52 1HZ LYS 52 0.664 -7.913 0.620 381 2HZ LYS 52 2HZ LYS 52 1.118 -7.508 2.198 382 3HZ LYS 52 3HZ LYS 52 -0.402 -7.043 1.600 383 H ALA 53 H ALA 53 0.537 -5.139 7.256 384 HA ALA 53 HA ALA 53 -1.566 -5.415 9.301 385 1HB ALA 53 1HB ALA 53 1.220 -4.316 9.642 386 2HB ALA 53 2HB ALA 53 0.669 -5.916 10.140 387 3HB ALA 53 3HB ALA 53 -0.003 -4.474 10.905 388 H ALA 54 H ALA 54 0.287 -3.123 7.368 389 HA ALA 54 HA ALA 54 -0.956 -0.785 8.376 390 1HB ALA 54 1HB ALA 54 1.157 -0.730 7.135 391 2HB ALA 54 2HB ALA 54 -0.051 0.328 6.404 392 3HB ALA 54 3HB ALA 54 0.308 -1.237 5.674 393 H ALA 55 H ALA 55 -1.621 -2.810 5.520 394 HA ALA 55 HA ALA 55 -4.170 -1.395 5.159 395 1HB ALA 55 1HB ALA 55 -2.756 -1.627 3.164 396 2HB ALA 55 2HB ALA 55 -4.280 -2.496 2.980 397 3HB ALA 55 3HB ALA 55 -2.799 -3.381 3.341 398 H GLY 56 H GLY 56 -2.932 -3.942 6.774 399 1HA GLY 56 2HA GLY 56 -5.243 -5.698 6.434 400 2HA GLY 56 1HA GLY 56 -3.785 -6.058 7.358 401 H ALA 57 H ALA 57 -3.998 -3.295 8.591 402 HA ALA 57 HA ALA 57 -5.598 -3.974 10.836 403 1HB ALA 57 1HB ALA 57 -4.455 -1.290 10.049 404 2HB ALA 57 2HB ALA 57 -3.661 -2.497 11.062 405 3HB ALA 57 3HB ALA 57 -5.130 -1.700 11.626 406 H VAL 58 H VAL 58 -5.891 -1.059 8.869 407 HA VAL 58 HA VAL 58 -7.710 0.197 8.261 408 HB VAL 58 HB VAL 58 -9.046 -0.948 6.508 409 1HG1 VAL 58 1HG1 VAL 58 -6.964 0.206 6.030 410 2HG1 VAL 58 2HG1 VAL 58 -7.136 -1.218 4.998 411 3HG1 VAL 58 3HG1 VAL 58 -6.050 -1.262 6.386 412 1HG2 VAL 58 1HG2 VAL 58 -7.334 -3.336 7.204 413 2HG2 VAL 58 2HG2 VAL 58 -8.395 -3.198 5.801 414 3HG2 VAL 58 3HG2 VAL 58 -9.079 -3.215 7.427 415 H ARG 59 H ARG 59 -8.254 -0.579 10.835 416 HA ARG 59 HA ARG 59 -10.903 -1.629 11.033 417 1HB ARG 59 2HB ARG 59 -8.826 -0.761 12.832 418 2HB ARG 59 1HB ARG 59 -10.366 -0.057 13.308 419 1HG ARG 59 2HG ARG 59 -9.886 -2.992 12.839 420 2HG ARG 59 1HG ARG 59 -9.900 -2.204 14.419 421 1HD ARG 59 2HD ARG 59 -12.195 -2.354 12.466 422 2HD ARG 59 1HD ARG 59 -12.047 -3.253 13.976 423 HE ARG 59 HE ARG 59 -11.861 -0.443 14.418 424 1HH1 ARG 59 1HH1 ARG 59 -14.146 -3.043 13.852 425 2HH1 ARG 59 2HH1 ARG 59 -15.483 -2.190 14.576 426 1HH2 ARG 59 1HH2 ARG 59 -13.583 0.656 15.390 427 2HH2 ARG 59 2HH2 ARG 59 -15.151 -0.092 15.495 428 H GLY 60 H GLY 60 -12.561 -0.595 10.167 429 1HA GLY 60 2HA GLY 60 -14.113 1.214 10.106 430 2HA GLY 60 1HA GLY 60 -12.818 2.313 10.588 431 H ILE 61 H ILE 61 -11.332 0.464 8.467 432 HA ILE 61 HA ILE 61 -11.688 2.431 6.354 433 HB ILE 61 HB ILE 61 -9.530 0.432 6.964 434 1HG1 ILE 61 2HG1 ILE 61 -8.097 2.502 6.696 435 2HG1 ILE 61 1HG1 ILE 61 -9.590 3.425 6.584 436 1HG2 ILE 61 1HG2 ILE 61 -9.855 1.917 4.364 437 2HG2 ILE 61 2HG2 ILE 61 -9.868 0.168 4.601 438 3HG2 ILE 61 3HG2 ILE 61 -8.387 1.084 4.875 439 1HD1 ILE 61 1HD1 ILE 61 -8.694 3.554 8.810 440 2HD1 ILE 61 2HD1 ILE 61 -8.663 1.796 8.935 441 3HD1 ILE 61 3HD1 ILE 61 -10.205 2.647 8.832 442 H ASN 62 H ASN 62 -12.082 1.877 4.228 443 HA ASN 62 HA ASN 62 -13.557 -0.615 3.862 444 1HB ASN 62 2HB ASN 62 -13.175 1.722 1.968 445 2HB ASN 62 1HB ASN 62 -14.194 0.317 1.658 446 1HD2 ASN 62 1HD2 ASN 62 -13.892 3.333 3.272 447 2HD2 ASN 62 2HD2 ASN 62 -15.497 3.392 3.918 448 HA PRO 63 HA PRO 63 -9.727 -2.298 2.370 449 1HB PRO 63 2HB PRO 63 -11.163 -4.716 1.695 450 2HB PRO 63 1HB PRO 63 -9.982 -4.440 2.983 451 1HG PRO 63 2HG PRO 63 -12.678 -4.874 3.375 452 2HG PRO 63 1HG PRO 63 -11.592 -4.106 4.540 453 1HD PRO 63 2HD PRO 63 -13.618 -2.902 2.751 454 2HD PRO 63 1HD PRO 63 -13.019 -2.341 4.323 455 H ASN 64 H ASN 64 -12.740 -2.224 0.658 456 HA ASN 64 HA ASN 64 -11.896 -2.913 -1.918 457 1HB ASN 64 2HB ASN 64 -13.904 -0.757 -1.226 458 2HB ASN 64 1HB ASN 64 -13.803 -1.662 -2.732 459 1HD2 ASN 64 1HD2 ASN 64 -14.495 -3.817 -2.784 460 2HD2 ASN 64 2HD2 ASN 64 -15.510 -4.468 -1.528 461 H ASN 65 H ASN 65 -11.516 0.041 -0.068 462 HA ASN 65 HA ASN 65 -10.444 1.547 -2.279 463 1HB ASN 65 2HB ASN 65 -10.489 2.155 0.679 464 2HB ASN 65 1HB ASN 65 -9.977 3.266 -0.578 465 1HD2 ASN 65 1HD2 ASN 65 -12.092 3.578 1.354 466 2HD2 ASN 65 2HD2 ASN 65 -13.557 3.799 0.453 467 H ALA 66 H ALA 66 -9.284 -0.652 0.062 468 HA ALA 66 HA ALA 66 -6.588 0.283 0.171 469 1HB ALA 66 1HB ALA 66 -7.726 -2.417 0.883 470 2HB ALA 66 2HB ALA 66 -7.523 -1.052 1.979 471 3HB ALA 66 3HB ALA 66 -6.107 -1.843 1.287 472 H GLU 67 H GLU 67 -8.293 -2.207 -1.677 473 HA GLU 67 HA GLU 67 -5.895 -2.869 -3.153 474 1HB GLU 67 2HB GLU 67 -7.393 -4.351 -4.465 475 2HB GLU 67 1HB GLU 67 -7.446 -4.660 -2.737 476 1HG GLU 67 2HG GLU 67 -9.545 -3.390 -2.595 477 2HG GLU 67 1HG GLU 67 -9.493 -3.144 -4.344 478 H ALA 68 H ALA 68 -8.450 -0.616 -3.375 479 HA ALA 68 HA ALA 68 -7.992 0.020 -6.162 480 1HB ALA 68 1HB ALA 68 -10.207 0.388 -5.183 481 2HB ALA 68 2HB ALA 68 -9.513 1.908 -5.750 482 3HB ALA 68 3HB ALA 68 -9.513 1.527 -4.025 483 H LEU 69 H LEU 69 -6.578 0.677 -3.177 484 HA LEU 69 HA LEU 69 -5.689 3.286 -3.359 485 1HB LEU 69 2HB LEU 69 -5.587 2.023 -1.319 486 2HB LEU 69 1HB LEU 69 -4.461 0.884 -2.021 487 HG LEU 69 HG LEU 69 -3.625 3.745 -1.828 488 1HD1 LEU 69 1HD1 LEU 69 -2.865 3.399 0.463 489 2HD1 LEU 69 2HD1 LEU 69 -3.623 1.806 0.487 490 3HD1 LEU 69 3HD1 LEU 69 -4.620 3.255 0.360 491 1HD2 LEU 69 1HD2 LEU 69 -2.200 1.111 -1.442 492 2HD2 LEU 69 2HD2 LEU 69 -1.452 2.708 -1.448 493 3HD2 LEU 69 3HD2 LEU 69 -2.193 2.078 -2.918 494 HA PRO 70 HA PRO 70 -1.696 1.711 -5.689 495 1HB PRO 70 2HB PRO 70 -2.131 -0.617 -7.109 496 2HB PRO 70 1HB PRO 70 -1.272 -0.525 -5.568 497 1HG PRO 70 2HG PRO 70 -4.102 -1.303 -6.116 498 2HG PRO 70 1HG PRO 70 -2.950 -1.992 -4.958 499 1HD PRO 70 2HD PRO 70 -4.901 -0.322 -4.186 500 2HD PRO 70 1HD PRO 70 -3.305 -0.325 -3.410 501 H GLY 71 H GLY 71 -4.856 0.715 -6.933 502 1HA GLY 71 2HA GLY 71 -4.385 1.069 -9.649 503 2HA GLY 71 1HA GLY 71 -5.964 1.135 -8.889 504 H LYS 72 H LYS 72 -5.950 3.401 -7.427 505 HA LYS 72 HA LYS 72 -6.238 5.314 -9.522 506 1HB LYS 72 2HB LYS 72 -6.852 6.851 -7.526 507 2HB LYS 72 1HB LYS 72 -7.914 5.520 -7.934 508 1HG LYS 72 2HG LYS 72 -7.690 5.686 -5.588 509 2HG LYS 72 1HG LYS 72 -6.863 4.223 -6.131 510 1HD LYS 72 2HD LYS 72 -4.772 5.110 -5.757 511 2HD LYS 72 1HD LYS 72 -5.358 6.779 -5.856 512 1HE LYS 72 2HE LYS 72 -6.268 6.722 -3.752 513 2HE LYS 72 1HE LYS 72 -6.321 4.960 -3.726 514 1HZ LYS 72 1HZ LYS 72 -4.562 5.826 -2.282 515 2HZ LYS 72 2HZ LYS 72 -3.855 6.623 -3.595 516 3HZ LYS 72 3HZ LYS 72 -3.899 4.932 -3.559 517 H CYS 73 H CYS 73 -3.476 4.404 -8.110 518 HA CYS 73 HA CYS 73 -2.378 7.131 -8.181 519 1HB CYS 73 2HB CYS 73 -1.435 4.706 -6.664 520 2HB CYS 73 1HB CYS 73 -0.480 6.176 -6.808 521 H GLY 74 H GLY 74 -2.751 4.622 -10.138 522 1HA GLY 74 2HA GLY 74 -1.847 4.369 -12.251 523 2HA GLY 74 1HA GLY 74 -0.623 5.560 -11.836 524 H VAL 75 H VAL 75 -0.588 3.323 -9.424 525 HA VAL 75 HA VAL 75 1.753 2.056 -10.611 526 HB VAL 75 HB VAL 75 1.947 1.161 -8.135 527 1HG1 VAL 75 1HG1 VAL 75 2.551 4.005 -8.935 528 2HG1 VAL 75 2HG1 VAL 75 3.572 2.598 -9.235 529 3HG1 VAL 75 3HG1 VAL 75 3.283 3.143 -7.583 530 1HG2 VAL 75 1HG2 VAL 75 0.306 3.672 -7.797 531 2HG2 VAL 75 2HG2 VAL 75 1.111 2.781 -6.504 532 3HG2 VAL 75 3HG2 VAL 75 -0.218 2.037 -7.397 533 H ASN 76 H ASN 76 0.583 0.641 -11.965 534 HA ASN 76 HA ASN 76 -0.918 -1.491 -10.676 535 1HB ASN 76 2HB ASN 76 -1.754 -0.564 -12.815 536 2HB ASN 76 1HB ASN 76 -0.265 -1.082 -13.608 537 1HD2 ASN 76 1HD2 ASN 76 -1.386 -2.399 -15.032 538 2HD2 ASN 76 2HD2 ASN 76 -2.105 -3.893 -14.542 539 H ILE 77 H ILE 77 0.584 -2.561 -9.523 540 HA ILE 77 HA ILE 77 2.982 -3.576 -10.850 541 HB ILE 77 HB ILE 77 3.851 -4.105 -8.681 542 1HG1 ILE 77 2HG1 ILE 77 1.686 -4.895 -7.679 543 2HG1 ILE 77 1HG1 ILE 77 2.676 -3.912 -6.610 544 1HG2 ILE 77 1HG2 ILE 77 4.070 -1.799 -9.371 545 2HG2 ILE 77 2HG2 ILE 77 3.905 -1.913 -7.619 546 3HG2 ILE 77 3HG2 ILE 77 2.533 -1.404 -8.603 547 1HD1 ILE 77 1HD1 ILE 77 0.503 -3.174 -6.255 548 2HD1 ILE 77 2HD1 ILE 77 0.108 -3.206 -7.967 549 3HD1 ILE 77 3HD1 ILE 77 1.189 -1.963 -7.337 550 HA PRO 78 HA PRO 78 1.824 -7.815 -11.327 551 1HB PRO 78 2HB PRO 78 3.587 -9.071 -9.523 552 2HB PRO 78 1HB PRO 78 3.871 -8.767 -11.242 553 1HG PRO 78 2HG PRO 78 4.751 -7.203 -8.861 554 2HG PRO 78 1HG PRO 78 5.594 -7.491 -10.399 555 1HD PRO 78 2HD PRO 78 4.460 -5.139 -9.898 556 2HD PRO 78 1HD PRO 78 4.357 -5.863 -11.520 557 H TYR 79 H TYR 79 2.582 -7.227 -7.871 558 HA TYR 79 HA TYR 79 0.467 -9.021 -7.067 559 1HB TYR 79 2HB TYR 79 1.101 -8.455 -4.770 560 2HB TYR 79 1HB TYR 79 2.500 -8.926 -5.721 561 HD1 TYR 79 1HD TYR 79 0.689 -5.921 -4.445 562 HD2 TYR 79 2HD TYR 79 4.386 -7.557 -5.789 563 HE1 TYR 79 1HE TYR 79 1.862 -3.890 -3.701 564 HE2 TYR 79 2HE TYR 79 5.559 -5.522 -5.063 565 HH TYR 79 HH TYR 79 5.077 -3.185 -4.575 566 H LYS 80 H LYS 80 -1.117 -8.154 -5.324 567 HA LYS 80 HA LYS 80 -2.163 -5.614 -6.368 568 1HB LYS 80 2HB LYS 80 -3.373 -7.846 -6.897 569 2HB LYS 80 1HB LYS 80 -3.941 -7.740 -5.234 570 1HG LYS 80 2HG LYS 80 -5.450 -6.776 -7.026 571 2HG LYS 80 1HG LYS 80 -5.086 -5.744 -5.636 572 1HD LYS 80 2HD LYS 80 -3.580 -4.433 -6.842 573 2HD LYS 80 1HD LYS 80 -3.426 -5.630 -8.127 574 1HE LYS 80 2HE LYS 80 -4.742 -3.660 -8.816 575 2HE LYS 80 1HE LYS 80 -5.667 -5.157 -8.901 576 1HZ LYS 80 1HZ LYS 80 -6.912 -3.283 -7.937 577 2HZ LYS 80 2HZ LYS 80 -5.814 -3.225 -6.650 578 3HZ LYS 80 3HZ LYS 80 -6.782 -4.598 -6.871 579 H ILE 81 H ILE 81 -0.480 -6.286 -4.043 580 HA ILE 81 HA ILE 81 -0.034 -5.617 -1.959 581 HB ILE 81 HB ILE 81 -0.781 -3.569 -1.141 582 1HG1 ILE 81 2HG1 ILE 81 -2.869 -2.475 -2.404 583 2HG1 ILE 81 1HG1 ILE 81 -3.356 -4.162 -2.515 584 1HG2 ILE 81 1HG2 ILE 81 -1.037 -3.452 -4.134 585 2HG2 ILE 81 2HG2 ILE 81 0.450 -3.351 -3.191 586 3HG2 ILE 81 3HG2 ILE 81 -0.756 -2.068 -3.076 587 1HD1 ILE 81 1HD1 ILE 81 -4.333 -3.073 -0.574 588 2HD1 ILE 81 2HD1 ILE 81 -2.723 -2.671 0.023 589 3HD1 ILE 81 3HD1 ILE 81 -3.224 -4.358 -0.087 590 H SER 82 H SER 82 -3.348 -6.521 -2.516 591 HA SER 82 HA SER 82 -4.242 -6.672 0.133 592 1HB SER 82 2HB SER 82 -5.099 -8.393 -2.204 593 2HB SER 82 1HB SER 82 -6.042 -8.031 -0.753 594 HG SER 82 HG SER 82 -5.257 -5.732 -1.855 595 H THR 83 H THR 83 -5.038 -8.899 0.996 596 HA THR 83 HA THR 83 -2.777 -10.256 1.947 597 HB THR 83 HB THR 83 -4.637 -11.914 2.733 598 HG1 THR 83 1HG THR 83 -6.664 -11.313 2.292 599 1HG2 THR 83 1HG2 THR 83 -3.529 -10.222 4.151 600 2HG2 THR 83 2HG2 THR 83 -5.241 -10.386 4.536 601 3HG2 THR 83 3HG2 THR 83 -4.681 -9.010 3.585 602 H SER 84 H SER 84 -4.798 -10.824 -0.809 603 HA SER 84 HA SER 84 -4.572 -13.578 -1.108 604 1HB SER 84 2HB SER 84 -4.786 -11.563 -3.351 605 2HB SER 84 1HB SER 84 -5.371 -13.232 -3.343 606 HG SER 84 HG SER 84 -6.709 -12.524 -1.489 607 H THR 85 H THR 85 -2.249 -11.067 -1.949 608 HA THR 85 HA THR 85 -0.698 -12.863 -3.599 609 HB THR 85 HB THR 85 -0.695 -10.482 -4.144 610 HG1 THR 85 1HG THR 85 1.309 -11.983 -4.267 611 1HG2 THR 85 1HG2 THR 85 0.732 -10.084 -1.512 612 2HG2 THR 85 2HG2 THR 85 -0.901 -9.543 -1.897 613 3HG2 THR 85 3HG2 THR 85 0.479 -8.851 -2.749 614 H ASN 86 H ASN 86 -0.973 -12.132 -0.310 615 HA ASN 86 HA ASN 86 -0.114 -13.051 1.537 616 1HB ASN 86 2HB ASN 86 -0.252 -15.129 0.042 617 2HB ASN 86 1HB ASN 86 1.494 -14.965 -0.121 618 1HD2 ASN 86 1HD2 ASN 86 1.913 -16.898 0.921 619 2HD2 ASN 86 2HD2 ASN 86 1.687 -17.101 2.631 620 H CYS 87 H CYS 87 1.945 -11.793 -0.755 621 HA CYS 87 HA CYS 87 3.832 -10.523 -0.597 622 1HB CYS 87 2HB CYS 87 3.226 -9.513 1.428 623 2HB CYS 87 1HB CYS 87 3.380 -11.016 2.333 624 H ASN 88 H ASN 88 3.733 -13.730 0.667 625 HA ASN 88 HA ASN 88 6.454 -14.191 1.105 626 1HB ASN 88 2HB ASN 88 4.167 -16.006 0.415 627 2HB ASN 88 1HB ASN 88 5.809 -16.637 0.510 628 1HD2 ASN 88 1HD2 ASN 88 5.411 -17.914 2.277 629 2HD2 ASN 88 2HD2 ASN 88 5.105 -17.268 3.861 630 H SER 89 H SER 89 4.654 -13.960 -1.836 631 HA SER 89 HA SER 89 7.173 -13.875 -3.239 632 1HB SER 89 2HB SER 89 6.315 -16.299 -3.338 633 2HB SER 89 1HB SER 89 5.018 -15.650 -4.337 634 HG SER 89 HG SER 89 6.340 -15.442 -5.956 635 H ILE 90 H ILE 90 6.742 -11.797 -3.595 636 HA ILE 90 HA ILE 90 4.469 -11.110 -5.335 637 HB ILE 90 HB ILE 90 4.699 -8.837 -4.678 638 1HG1 ILE 90 2HG1 ILE 90 7.343 -9.697 -3.480 639 2HG1 ILE 90 1HG1 ILE 90 7.050 -8.508 -4.743 640 1HG2 ILE 90 1HG2 ILE 90 3.556 -10.226 -3.046 641 2HG2 ILE 90 2HG2 ILE 90 4.425 -8.918 -2.247 642 3HG2 ILE 90 3HG2 ILE 90 5.084 -10.552 -2.229 643 1HD1 ILE 90 1HD1 ILE 90 6.260 -8.194 -1.861 644 2HD1 ILE 90 2HD1 ILE 90 6.030 -7.005 -3.143 645 3HD1 ILE 90 3HD1 ILE 90 7.659 -7.455 -2.639 646 H ASN 91 H ASN 91 7.882 -11.256 -4.986 647 HA ASN 91 HA ASN 91 9.673 -10.659 -6.175 648 1HB ASN 91 2HB ASN 91 7.803 -11.244 -8.476 649 2HB ASN 91 1HB ASN 91 9.540 -10.996 -8.652 650 1HD2 ASN 91 1HD2 ASN 91 7.041 -13.143 -7.626 651 2HD2 ASN 91 2HD2 ASN 91 8.057 -14.518 -7.351 Start of MODEL 11 1 1H MET 1 1HT MET 1 13.045 1.473 3.520 2 2H MET 1 2HT MET 1 13.003 0.171 2.428 3 3H MET 1 3HT MET 1 14.114 0.174 3.713 4 HA MET 1 HA MET 1 11.168 0.098 4.033 5 1HB MET 1 2HB MET 1 11.810 -1.994 3.091 6 2HB MET 1 1HB MET 1 13.256 -2.082 4.098 7 1HG MET 1 2HG MET 1 11.765 -3.592 5.066 8 2HG MET 1 1HG MET 1 11.673 -2.156 6.084 9 1HE MET 1 1HE MET 1 8.051 -3.661 6.180 10 2HE MET 1 2HE MET 1 9.459 -3.199 7.134 11 3HE MET 1 3HE MET 1 9.551 -4.577 6.036 12 H THR 2 H THR 2 10.534 0.754 5.920 13 HA THR 2 HA THR 2 12.162 0.023 8.235 14 HB THR 2 HB THR 2 11.203 2.186 9.283 15 HG1 THR 2 1HG THR 2 11.383 3.680 7.150 16 1HG2 THR 2 1HG2 THR 2 13.438 2.312 7.254 17 2HG2 THR 2 2HG2 THR 2 13.594 1.818 8.940 18 3HG2 THR 2 3HG2 THR 2 13.158 3.480 8.546 19 H CYS 3 H CYS 3 9.448 -0.487 6.669 20 HA CYS 3 HA CYS 3 7.326 -1.151 7.106 21 1HB CYS 3 2HB CYS 3 8.368 -2.433 9.011 22 2HB CYS 3 1HB CYS 3 8.021 -1.053 10.050 23 H GLY 4 H GLY 4 8.672 1.445 9.007 24 1HA GLY 4 2HA GLY 4 6.198 2.907 9.234 25 2HA GLY 4 1HA GLY 4 7.818 3.523 9.567 26 H GLN 5 H GLN 5 8.864 2.612 7.010 27 HA GLN 5 HA GLN 5 8.103 4.727 5.312 28 1HB GLN 5 2HB GLN 5 10.071 4.192 4.435 29 2HB GLN 5 1HB GLN 5 10.106 2.698 5.344 30 1HG GLN 5 2HG GLN 5 8.705 2.943 2.701 31 2HG GLN 5 1HG GLN 5 10.416 2.544 2.844 32 1HE2 GLN 5 1HE2 GLN 5 8.493 0.872 1.671 33 2HE2 GLN 5 2HE2 GLN 5 8.366 -0.560 2.644 34 H VAL 6 H VAL 6 7.138 1.369 5.627 35 HA VAL 6 HA VAL 6 5.412 1.280 3.362 36 HB VAL 6 HB VAL 6 5.074 -0.208 5.981 37 1HG1 VAL 6 1HG1 VAL 6 3.940 -0.759 3.243 38 2HG1 VAL 6 2HG1 VAL 6 3.038 -0.226 4.662 39 3HG1 VAL 6 3HG1 VAL 6 3.792 -1.821 4.643 40 1HG2 VAL 6 1HG2 VAL 6 7.179 -0.848 5.183 41 2HG2 VAL 6 2HG2 VAL 6 6.633 -0.847 3.505 42 3HG2 VAL 6 3HG2 VAL 6 6.072 -2.100 4.610 43 H GLN 7 H GLN 7 4.888 2.229 6.738 44 HA GLN 7 HA GLN 7 2.142 2.677 6.641 45 1HB GLN 7 2HB GLN 7 4.236 4.182 8.220 46 2HB GLN 7 1HB GLN 7 2.501 4.272 8.510 47 1HG GLN 7 2HG GLN 7 2.476 1.875 9.023 48 2HG GLN 7 1HG GLN 7 4.219 1.812 8.765 49 1HE2 GLN 7 1HE2 GLN 7 1.664 2.819 10.873 50 2HE2 GLN 7 2HE2 GLN 7 2.665 3.238 12.222 51 H GLY 8 H GLY 8 4.786 4.608 5.427 52 1HA GLY 8 2HA GLY 8 3.411 7.046 5.094 53 2HA GLY 8 1HA GLY 8 4.829 6.544 4.201 54 H ASN 9 H ASN 9 2.969 4.100 3.505 55 HA ASN 9 HA ASN 9 1.791 5.293 1.126 56 1HB ASN 9 2HB ASN 9 3.007 3.159 0.937 57 2HB ASN 9 1HB ASN 9 1.896 2.410 2.071 58 1HD2 ASN 9 1HD2 ASN 9 2.549 1.703 -0.685 59 2HD2 ASN 9 2HD2 ASN 9 1.048 1.718 -1.550 60 H LEU 10 H LEU 10 0.665 3.171 3.766 61 HA LEU 10 HA LEU 10 -2.057 3.580 2.937 62 1HB LEU 10 2HB LEU 10 -0.801 1.888 5.074 63 2HB LEU 10 1HB LEU 10 -2.538 2.055 4.936 64 HG LEU 10 HG LEU 10 -1.986 0.039 3.851 65 1HD1 LEU 10 1HD1 LEU 10 -3.620 1.341 2.644 66 2HD1 LEU 10 2HD1 LEU 10 -2.601 0.455 1.509 67 3HD1 LEU 10 3HD1 LEU 10 -2.342 2.180 1.765 68 1HD2 LEU 10 1HD2 LEU 10 0.402 0.356 3.596 69 2HD2 LEU 10 2HD2 LEU 10 0.129 1.558 2.334 70 3HD2 LEU 10 3HD2 LEU 10 -0.319 -0.126 2.060 71 H ALA 11 H ALA 11 -0.015 5.123 5.260 72 HA ALA 11 HA ALA 11 -2.149 5.699 7.138 73 1HB ALA 11 1HB ALA 11 -0.433 7.177 8.205 74 2HB ALA 11 2HB ALA 11 0.687 6.739 6.909 75 3HB ALA 11 3HB ALA 11 0.095 5.502 8.019 76 H GLN 12 H GLN 12 -0.801 6.849 4.301 77 HA GLN 12 HA GLN 12 -1.834 9.542 4.500 78 1HB GLN 12 2HB GLN 12 -0.214 7.998 2.491 79 2HB GLN 12 1HB GLN 12 -0.904 9.561 2.085 80 1HG GLN 12 2HG GLN 12 1.518 9.463 2.905 81 2HG GLN 12 1HG GLN 12 0.447 10.681 3.559 82 1HE2 GLN 12 1HE2 GLN 12 -0.156 10.613 5.709 83 2HE2 GLN 12 2HE2 GLN 12 0.634 9.586 6.851 84 H CYS 13 H CYS 13 -2.419 6.542 2.752 85 HA CYS 13 HA CYS 13 -4.532 7.619 1.163 86 1HB CYS 13 2HB CYS 13 -3.657 4.782 1.698 87 2HB CYS 13 1HB CYS 13 -4.915 5.224 0.547 88 H ILE 14 H ILE 14 -4.351 6.203 4.318 89 HA ILE 14 HA ILE 14 -6.846 5.166 4.755 90 HB ILE 14 HB ILE 14 -4.840 6.500 6.449 91 1HG1 ILE 14 2HG1 ILE 14 -6.506 3.977 6.708 92 2HG1 ILE 14 1HG1 ILE 14 -4.857 4.091 6.089 93 1HG2 ILE 14 1HG2 ILE 14 -6.882 7.701 7.128 94 2HG2 ILE 14 2HG2 ILE 14 -6.227 6.676 8.414 95 3HG2 ILE 14 3HG2 ILE 14 -7.642 6.149 7.499 96 1HD1 ILE 14 1HD1 ILE 14 -5.720 4.712 8.906 97 2HD1 ILE 14 2HD1 ILE 14 -4.071 4.792 8.281 98 3HD1 ILE 14 3HD1 ILE 14 -4.909 3.241 8.366 99 H GLY 15 H GLY 15 -6.015 8.572 4.417 100 1HA GLY 15 2HA GLY 15 -8.443 9.592 5.473 101 2HA GLY 15 1HA GLY 15 -7.292 10.485 4.526 102 H PHE 16 H PHE 16 -8.170 7.764 2.920 103 HA PHE 16 HA PHE 16 -10.749 8.717 1.975 104 1HB PHE 16 2HB PHE 16 -10.060 9.195 -0.123 105 2HB PHE 16 1HB PHE 16 -8.433 9.186 0.568 106 HD1 PHE 16 1HD PHE 16 -10.940 7.104 -1.206 107 HD2 PHE 16 2HD PHE 16 -6.857 7.550 -0.097 108 HE1 PHE 16 1HE PHE 16 -10.339 5.256 -2.705 109 HE2 PHE 16 2HE PHE 16 -6.250 5.690 -1.589 110 HZ PHE 16 HZ PHE 16 -8.001 4.536 -2.892 111 H LEU 17 H LEU 17 -8.242 6.299 1.966 112 HA LEU 17 HA LEU 17 -9.521 4.003 1.203 113 1HB LEU 17 2HB LEU 17 -7.131 4.283 1.680 114 2HB LEU 17 1HB LEU 17 -7.482 4.448 3.383 115 HG LEU 17 HG LEU 17 -8.326 2.107 3.367 116 1HD1 LEU 17 1HD1 LEU 17 -7.617 0.691 1.473 117 2HD1 LEU 17 2HD1 LEU 17 -7.114 2.148 0.608 118 3HD1 LEU 17 3HD1 LEU 17 -8.817 1.895 1.001 119 1HD2 LEU 17 1HD2 LEU 17 -5.466 2.558 2.532 120 2HD2 LEU 17 2HD2 LEU 17 -6.086 1.114 3.333 121 3HD2 LEU 17 3HD2 LEU 17 -6.103 2.664 4.174 122 H GLN 18 H GLN 18 -9.823 5.764 4.253 123 HA GLN 18 HA GLN 18 -11.373 3.603 5.420 124 1HB GLN 18 2HB GLN 18 -9.689 4.547 6.848 125 2HB GLN 18 1HB GLN 18 -10.269 6.179 6.539 126 1HG GLN 18 2HG GLN 18 -12.388 5.577 7.623 127 2HG GLN 18 1HG GLN 18 -11.696 4.009 8.039 128 1HE2 GLN 18 1HE2 GLN 18 -10.137 3.882 9.644 129 2HE2 GLN 18 2HE2 GLN 18 -9.796 5.199 10.716 130 H LYS 19 H LYS 19 -11.728 7.174 5.048 131 HA LYS 19 HA LYS 19 -14.636 6.719 4.812 132 1HB LYS 19 2HB LYS 19 -13.269 8.857 6.450 133 2HB LYS 19 1HB LYS 19 -15.002 8.757 6.171 134 1HG LYS 19 2HG LYS 19 -15.052 6.592 7.311 135 2HG LYS 19 1HG LYS 19 -13.317 6.719 7.606 136 1HD LYS 19 2HD LYS 19 -15.394 8.672 8.592 137 2HD LYS 19 1HD LYS 19 -14.681 7.379 9.558 138 1HE LYS 19 2HE LYS 19 -12.447 8.390 9.164 139 2HE LYS 19 1HE LYS 19 -13.243 9.731 8.339 140 1HZ LYS 19 1HZ LYS 19 -13.642 8.946 11.176 141 2HZ LYS 19 2HZ LYS 19 -14.444 10.217 10.393 142 3HZ LYS 19 3HZ LYS 19 -12.767 10.290 10.629 143 H GLY 20 H GLY 20 -12.640 7.260 2.709 144 1HA GLY 20 2HA GLY 20 -13.541 9.962 1.911 145 2HA GLY 20 1HA GLY 20 -11.932 9.348 1.555 146 H GLY 21 H GLY 21 -12.425 9.902 -0.633 147 1HA GLY 21 2HA GLY 21 -13.593 7.691 -2.105 148 2HA GLY 21 1HA GLY 21 -14.433 9.238 -2.269 149 H VAL 22 H VAL 22 -13.006 11.091 -2.726 150 HA VAL 22 HA VAL 22 -11.370 10.781 -4.984 151 HB VAL 22 HB VAL 22 -12.360 12.908 -4.643 152 1HG1 VAL 22 1HG1 VAL 22 -11.995 14.277 -2.641 153 2HG1 VAL 22 2HG1 VAL 22 -11.035 12.976 -1.934 154 3HG1 VAL 22 3HG1 VAL 22 -12.755 12.731 -2.249 155 1HG2 VAL 22 1HG2 VAL 22 -10.457 14.476 -4.524 156 2HG2 VAL 22 2HG2 VAL 22 -10.134 13.100 -5.579 157 3HG2 VAL 22 3HG2 VAL 22 -9.429 13.156 -3.965 158 H VAL 23 H VAL 23 -9.211 10.411 -5.193 159 HA VAL 23 HA VAL 23 -7.777 9.693 -2.757 160 HB VAL 23 HB VAL 23 -7.019 9.243 -5.643 161 1HG1 VAL 23 1HG1 VAL 23 -5.336 7.693 -4.728 162 2HG1 VAL 23 2HG1 VAL 23 -5.767 8.209 -3.098 163 3HG1 VAL 23 3HG1 VAL 23 -5.047 9.359 -4.225 164 1HG2 VAL 23 1HG2 VAL 23 -8.203 7.423 -3.561 165 2HG2 VAL 23 2HG2 VAL 23 -7.590 6.890 -5.128 166 3HG2 VAL 23 3HG2 VAL 23 -8.975 7.979 -5.046 167 HA PRO 24 HA PRO 24 -5.620 13.576 -3.064 168 1HB PRO 24 2HB PRO 24 -4.289 12.889 -0.604 169 2HB PRO 24 1HB PRO 24 -5.598 14.045 -0.857 170 1HG PRO 24 2HG PRO 24 -5.875 11.710 0.551 171 2HG PRO 24 1HG PRO 24 -7.215 12.531 -0.280 172 1HD PRO 24 2HD PRO 24 -5.581 10.188 -1.178 173 2HD PRO 24 1HD PRO 24 -7.335 10.462 -1.300 174 HA PRO 25 HA PRO 25 -1.760 12.444 -4.851 175 1HB PRO 25 2HB PRO 25 -0.365 14.766 -4.482 176 2HB PRO 25 1HB PRO 25 -1.610 14.551 -5.721 177 1HG PRO 25 2HG PRO 25 -1.815 15.841 -3.026 178 2HG PRO 25 1HG PRO 25 -2.494 16.371 -4.577 179 1HD PRO 25 2HD PRO 25 -3.990 15.131 -2.715 180 2HD PRO 25 1HD PRO 25 -4.263 14.890 -4.453 181 H SER 26 H SER 26 -2.005 13.297 -1.563 182 HA SER 26 HA SER 26 0.765 13.007 -0.861 183 1HB SER 26 2HB SER 26 -1.675 12.836 0.924 184 2HB SER 26 1HB SER 26 -0.011 13.164 1.430 185 HG SER 26 HG SER 26 -1.895 14.884 0.537 186 H CYS 27 H CYS 27 -2.179 11.145 -0.303 187 HA CYS 27 HA CYS 27 -1.137 8.696 0.418 188 1HB CYS 27 2HB CYS 27 -3.428 8.743 0.510 189 2HB CYS 27 1HB CYS 27 -3.575 9.664 -0.984 190 H CYS 28 H CYS 28 -1.719 10.006 -2.835 191 HA CYS 28 HA CYS 28 -0.819 7.836 -4.280 192 1HB CYS 28 2HB CYS 28 -0.971 10.754 -4.912 193 2HB CYS 28 1HB CYS 28 -0.288 9.615 -6.078 194 H THR 29 H THR 29 1.049 10.607 -3.107 195 HA THR 29 HA THR 29 3.514 9.867 -4.185 196 HB THR 29 HB THR 29 2.870 11.379 -1.648 197 HG1 THR 29 1HG THR 29 2.783 11.998 -4.272 198 1HG2 THR 29 1HG2 THR 29 5.124 10.536 -1.462 199 2HG2 THR 29 2HG2 THR 29 5.177 12.264 -1.814 200 3HG2 THR 29 3HG2 THR 29 5.505 11.091 -3.092 201 H GLY 30 H GLY 30 1.881 8.857 -1.220 202 1HA GLY 30 2HA GLY 30 4.102 7.455 -0.125 203 2HA GLY 30 1HA GLY 30 2.423 7.272 0.348 204 H VAL 31 H VAL 31 1.322 6.414 -2.087 205 HA VAL 31 HA VAL 31 2.036 3.682 -2.124 206 HB VAL 31 HB VAL 31 0.686 5.084 -4.426 207 1HG1 VAL 31 1HG1 VAL 31 1.347 2.741 -4.739 208 2HG1 VAL 31 2HG1 VAL 31 -0.405 2.939 -4.741 209 3HG1 VAL 31 3HG1 VAL 31 0.407 2.297 -3.314 210 1HG2 VAL 31 1HG2 VAL 31 -1.455 4.678 -3.306 211 2HG2 VAL 31 2HG2 VAL 31 -0.442 5.788 -2.383 212 3HG2 VAL 31 3HG2 VAL 31 -0.596 4.104 -1.878 213 H LYS 32 H LYS 32 2.931 6.438 -4.124 214 HA LYS 32 HA LYS 32 4.557 5.048 -5.955 215 1HB LYS 32 2HB LYS 32 4.646 7.896 -4.965 216 2HB LYS 32 1HB LYS 32 5.718 7.287 -6.217 217 1HG LYS 32 2HG LYS 32 2.772 6.979 -6.545 218 2HG LYS 32 1HG LYS 32 3.518 8.549 -6.827 219 1HD LYS 32 2HD LYS 32 3.509 7.567 -8.937 220 2HD LYS 32 1HD LYS 32 5.144 7.270 -8.356 221 1HE LYS 32 2HE LYS 32 4.490 4.993 -7.706 222 2HE LYS 32 1HE LYS 32 2.858 5.297 -8.304 223 1HZ LYS 32 1HZ LYS 32 3.818 5.677 -10.522 224 2HZ LYS 32 2HZ LYS 32 4.131 4.112 -9.957 225 3HZ LYS 32 3HZ LYS 32 5.353 5.284 -9.923 226 H ASN 33 H ASN 33 5.087 6.125 -2.647 227 HA ASN 33 HA ASN 33 7.913 5.821 -2.614 228 1HB ASN 33 2HB ASN 33 5.850 5.675 -0.415 229 2HB ASN 33 1HB ASN 33 7.573 5.466 -0.109 230 1HD2 ASN 33 1HD2 ASN 33 5.724 7.494 0.850 231 2HD2 ASN 33 2HD2 ASN 33 6.384 9.020 0.362 232 H ILE 34 H ILE 34 5.300 3.625 -1.648 233 HA ILE 34 HA ILE 34 7.062 1.473 -1.058 234 HB ILE 34 HB ILE 34 4.138 1.930 -1.072 235 1HG1 ILE 34 2HG1 ILE 34 4.307 1.480 1.164 236 2HG1 ILE 34 1HG1 ILE 34 5.576 0.281 0.941 237 1HG2 ILE 34 1HG2 ILE 34 5.224 -0.879 -1.079 238 2HG2 ILE 34 2HG2 ILE 34 4.191 -0.159 -2.316 239 3HG2 ILE 34 3HG2 ILE 34 3.570 -0.406 -0.681 240 1HD1 ILE 34 1HD1 ILE 34 5.922 3.265 0.762 241 2HD1 ILE 34 2HD1 ILE 34 7.201 2.057 0.562 242 3HD1 ILE 34 3HD1 ILE 34 6.386 2.242 2.123 243 H LEU 35 H LEU 35 5.936 2.709 -3.963 244 HA LEU 35 HA LEU 35 6.435 0.221 -5.416 245 1HB LEU 35 2HB LEU 35 4.983 2.673 -5.952 246 2HB LEU 35 1HB LEU 35 6.068 2.268 -7.268 247 HG LEU 35 HG LEU 35 5.022 -0.015 -7.296 248 1HD1 LEU 35 1HD1 LEU 35 2.810 -0.248 -6.288 249 2HD1 LEU 35 2HD1 LEU 35 3.003 1.323 -5.510 250 3HD1 LEU 35 3HD1 LEU 35 4.063 -0.015 -5.069 251 1HD2 LEU 35 1HD2 LEU 35 3.051 0.748 -8.532 252 2HD2 LEU 35 2HD2 LEU 35 4.491 1.680 -8.942 253 3HD2 LEU 35 3HD2 LEU 35 3.274 2.368 -7.869 254 H ASN 36 H ASN 36 7.416 3.600 -5.883 255 HA ASN 36 HA ASN 36 9.706 2.824 -7.429 256 1HB ASN 36 2HB ASN 36 8.730 5.514 -6.458 257 2HB ASN 36 1HB ASN 36 10.131 5.299 -7.503 258 1HD2 ASN 36 1HD2 ASN 36 9.847 4.853 -9.633 259 2HD2 ASN 36 2HD2 ASN 36 8.295 4.860 -10.411 260 H SER 37 H SER 37 9.199 4.223 -4.213 261 HA SER 37 HA SER 37 12.034 4.506 -3.767 262 1HB SER 37 2HB SER 37 9.741 4.879 -1.830 263 2HB SER 37 1HB SER 37 11.412 5.409 -1.595 264 HG SER 37 HG SER 37 10.695 6.398 -3.903 265 H SER 38 H SER 38 9.996 1.893 -3.648 266 HA SER 38 HA SER 38 11.052 0.427 -1.478 267 1HB SER 38 2HB SER 38 9.093 -0.283 -2.870 268 2HB SER 38 1HB SER 38 10.207 -0.638 -4.194 269 HG SER 38 HG SER 38 10.375 -1.798 -1.601 270 H ARG 39 H ARG 39 13.150 0.082 -1.135 271 HA ARG 39 HA ARG 39 15.054 1.088 -2.917 272 1HB ARG 39 2HB ARG 39 15.231 0.958 -0.413 273 2HB ARG 39 1HB ARG 39 15.615 -0.750 -0.598 274 1HG ARG 39 2HG ARG 39 17.559 -0.118 -1.990 275 2HG ARG 39 1HG ARG 39 17.197 1.578 -1.662 276 1HD ARG 39 2HD ARG 39 17.394 1.046 0.784 277 2HD ARG 39 1HD ARG 39 17.993 -0.547 0.320 278 HE ARG 39 HE ARG 39 19.337 1.967 -0.449 279 1HH1 ARG 39 1HH1 ARG 39 19.449 -1.357 0.681 280 2HH1 ARG 39 2HH1 ARG 39 21.185 -1.386 0.781 281 1HH2 ARG 39 1HH2 ARG 39 21.614 1.921 -0.294 282 2HH2 ARG 39 2HH2 ARG 39 22.407 0.454 0.194 283 H THR 40 H THR 40 14.179 -2.274 -2.206 284 HA THR 40 HA THR 40 15.487 -3.240 -4.550 285 HB THR 40 HB THR 40 17.468 -2.794 -3.159 286 HG1 THR 40 1HG THR 40 17.443 -4.668 -4.558 287 1HG2 THR 40 1HG2 THR 40 16.258 -4.753 -1.209 288 2HG2 THR 40 2HG2 THR 40 16.429 -3.016 -0.955 289 3HG2 THR 40 3HG2 THR 40 17.862 -4.035 -1.092 290 H THR 41 H THR 41 15.899 -5.868 -3.876 291 HA THR 41 HA THR 41 13.273 -6.891 -3.787 292 HB THR 41 HB THR 41 15.714 -8.506 -3.123 293 HG1 THR 41 1HG THR 41 16.387 -8.406 -5.177 294 1HG2 THR 41 1HG2 THR 41 14.545 -10.232 -4.434 295 2HG2 THR 41 2HG2 THR 41 13.214 -9.110 -4.708 296 3HG2 THR 41 3HG2 THR 41 13.574 -9.670 -3.075 297 H ALA 42 H ALA 42 15.823 -6.605 -1.377 298 HA ALA 42 HA ALA 42 14.564 -7.982 0.723 299 1HB ALA 42 1HB ALA 42 16.933 -7.393 0.756 300 2HB ALA 42 2HB ALA 42 16.110 -6.776 2.189 301 3HB ALA 42 3HB ALA 42 16.516 -5.684 0.863 302 H ASP 43 H ASP 43 13.930 -4.972 -0.727 303 HA ASP 43 HA ASP 43 12.454 -3.884 1.531 304 1HB ASP 43 2HB ASP 43 13.849 -2.573 -0.225 305 2HB ASP 43 1HB ASP 43 12.480 -2.830 -1.291 306 H ARG 44 H ARG 44 11.978 -5.362 -1.596 307 HA ARG 44 HA ARG 44 9.237 -4.896 -1.895 308 1HB ARG 44 2HB ARG 44 10.699 -5.504 -3.750 309 2HB ARG 44 1HB ARG 44 10.932 -7.107 -3.050 310 1HG ARG 44 2HG ARG 44 8.667 -7.699 -3.450 311 2HG ARG 44 1HG ARG 44 8.247 -6.040 -3.889 312 1HD ARG 44 2HD ARG 44 10.156 -7.826 -5.395 313 2HD ARG 44 1HD ARG 44 8.488 -7.491 -5.858 314 HE ARG 44 HE ARG 44 9.668 -5.024 -5.618 315 1HH1 ARG 44 1HH1 ARG 44 10.311 -7.909 -7.523 316 2HH1 ARG 44 2HH1 ARG 44 10.979 -7.029 -8.856 317 1HH2 ARG 44 1HH2 ARG 44 10.517 -3.882 -7.365 318 2HH2 ARG 44 2HH2 ARG 44 11.092 -4.724 -8.774 319 H ARG 45 H ARG 45 10.848 -7.924 -0.851 320 HA ARG 45 HA ARG 45 8.248 -8.989 -0.140 321 1HB ARG 45 2HB ARG 45 9.434 -11.050 0.486 322 2HB ARG 45 1HB ARG 45 9.806 -10.532 -1.151 323 1HG ARG 45 2HG ARG 45 11.967 -10.430 -0.714 324 2HG ARG 45 1HG ARG 45 11.707 -9.472 0.749 325 1HD ARG 45 2HD ARG 45 11.432 -12.470 0.526 326 2HD ARG 45 1HD ARG 45 12.813 -11.621 1.225 327 HE ARG 45 HE ARG 45 10.131 -11.243 2.365 328 1HH1 ARG 45 1HH1 ARG 45 13.445 -12.316 2.701 329 2HH1 ARG 45 2HH1 ARG 45 13.298 -12.638 4.405 330 1HH2 ARG 45 1HH2 ARG 45 9.924 -11.687 4.596 331 2HH2 ARG 45 2HH2 ARG 45 11.305 -12.271 5.478 332 H ALA 46 H ALA 46 9.813 -6.739 1.297 333 HA ALA 46 HA ALA 46 9.240 -7.755 4.001 334 1HB ALA 46 1HB ALA 46 10.955 -5.401 3.209 335 2HB ALA 46 2HB ALA 46 11.549 -6.981 3.720 336 3HB ALA 46 3HB ALA 46 10.661 -5.965 4.854 337 H VAL 47 H VAL 47 8.788 -5.099 1.725 338 HA VAL 47 HA VAL 47 7.164 -3.472 3.342 339 HB VAL 47 HB VAL 47 8.222 -2.700 1.237 340 1HG1 VAL 47 1HG1 VAL 47 7.174 -3.154 -0.913 341 2HG1 VAL 47 2HG1 VAL 47 6.059 -4.279 -0.137 342 3HG1 VAL 47 3HG1 VAL 47 7.787 -4.632 -0.174 343 1HG2 VAL 47 1HG2 VAL 47 6.374 -1.308 0.464 344 2HG2 VAL 47 2HG2 VAL 47 6.408 -1.415 2.223 345 3HG2 VAL 47 3HG2 VAL 47 5.233 -2.354 1.307 346 H CYS 48 H CYS 48 6.425 -6.305 1.417 347 HA CYS 48 HA CYS 48 3.591 -5.997 1.539 348 1HB CYS 48 2HB CYS 48 3.683 -8.526 1.017 349 2HB CYS 48 1HB CYS 48 4.322 -7.397 -0.174 350 H SER 49 H SER 49 5.964 -7.684 3.520 351 HA SER 49 HA SER 49 4.162 -8.977 5.245 352 1HB SER 49 2HB SER 49 6.641 -9.423 5.037 353 2HB SER 49 1HB SER 49 6.917 -7.959 5.978 354 HG SER 49 HG SER 49 5.881 -10.432 6.768 355 H CYS 50 H CYS 50 5.616 -5.751 5.325 356 HA CYS 50 HA CYS 50 4.266 -5.064 7.783 357 1HB CYS 50 2HB CYS 50 6.427 -4.045 7.289 358 2HB CYS 50 1HB CYS 50 5.778 -3.345 5.811 359 H LEU 51 H LEU 51 3.783 -4.515 4.315 360 HA LEU 51 HA LEU 51 1.627 -2.867 4.222 361 1HB LEU 51 2HB LEU 51 2.828 -4.525 2.463 362 2HB LEU 51 1HB LEU 51 1.363 -5.438 2.743 363 HG LEU 51 HG LEU 51 0.931 -4.219 0.811 364 1HD1 LEU 51 1HD1 LEU 51 -0.919 -4.046 2.349 365 2HD1 LEU 51 2HD1 LEU 51 -0.781 -2.572 1.389 366 3HD1 LEU 51 3HD1 LEU 51 -0.222 -2.592 3.062 367 1HD2 LEU 51 1HD2 LEU 51 2.842 -2.751 0.858 368 2HD2 LEU 51 2HD2 LEU 51 2.108 -1.794 2.148 369 3HD2 LEU 51 3HD2 LEU 51 1.372 -1.827 0.544 370 H LYS 52 H LYS 52 1.755 -6.237 5.234 371 HA LYS 52 HA LYS 52 -0.976 -6.772 5.481 372 1HB LYS 52 2HB LYS 52 0.614 -8.566 5.475 373 2HB LYS 52 1HB LYS 52 1.413 -7.939 6.910 374 1HG LYS 52 2HG LYS 52 -0.452 -8.496 8.281 375 2HG LYS 52 1HG LYS 52 -1.436 -8.905 6.875 376 1HD LYS 52 2HD LYS 52 1.095 -10.348 7.644 377 2HD LYS 52 1HD LYS 52 -0.516 -10.867 8.128 378 1HE LYS 52 2HE LYS 52 0.466 -10.574 5.290 379 2HE LYS 52 1HE LYS 52 0.284 -12.093 6.166 380 1HZ LYS 52 1HZ LYS 52 -2.137 -11.436 6.413 381 2HZ LYS 52 2HZ LYS 52 -1.632 -11.895 4.866 382 3HZ LYS 52 3HZ LYS 52 -1.840 -10.253 5.235 383 H ALA 53 H ALA 53 1.171 -5.014 7.626 384 HA ALA 53 HA ALA 53 -0.820 -5.062 9.759 385 1HB ALA 53 1HB ALA 53 0.754 -3.743 11.053 386 2HB ALA 53 2HB ALA 53 1.830 -3.631 9.656 387 3HB ALA 53 3HB ALA 53 1.525 -5.197 10.414 388 H ALA 54 H ALA 54 0.272 -3.030 7.182 389 HA ALA 54 HA ALA 54 -1.049 -0.658 8.101 390 1HB ALA 54 1HB ALA 54 -0.604 0.204 5.862 391 2HB ALA 54 2HB ALA 54 -0.128 -1.408 5.327 392 3HB ALA 54 3HB ALA 54 0.836 -0.561 6.536 393 H ALA 55 H ALA 55 -1.744 -3.071 5.583 394 HA ALA 55 HA ALA 55 -4.469 -2.206 5.253 395 1HB ALA 55 1HB ALA 55 -4.684 -4.167 3.799 396 2HB ALA 55 2HB ALA 55 -3.088 -4.719 4.310 397 3HB ALA 55 3HB ALA 55 -3.252 -3.219 3.398 398 H GLY 56 H GLY 56 -2.889 -3.839 7.625 399 1HA GLY 56 2HA GLY 56 -5.279 -5.374 8.407 400 2HA GLY 56 1HA GLY 56 -3.648 -5.639 9.027 401 H ALA 57 H ALA 57 -3.919 -2.405 8.853 402 HA ALA 57 HA ALA 57 -4.629 -2.149 11.666 403 1HB ALA 57 1HB ALA 57 -2.625 -0.999 10.848 404 2HB ALA 57 2HB ALA 57 -3.821 0.146 11.458 405 3HB ALA 57 3HB ALA 57 -3.617 -0.075 9.719 406 H VAL 58 H VAL 58 -6.067 -2.066 8.710 407 HA VAL 58 HA VAL 58 -7.760 0.089 8.523 408 HB VAL 58 HB VAL 58 -9.239 -1.411 7.208 409 1HG1 VAL 58 1HG1 VAL 58 -7.583 -1.825 5.468 410 2HG1 VAL 58 2HG1 VAL 58 -6.284 -1.643 6.646 411 3HG1 VAL 58 3HG1 VAL 58 -7.305 -0.260 6.239 412 1HG2 VAL 58 1HG2 VAL 58 -8.956 -3.483 8.472 413 2HG2 VAL 58 2HG2 VAL 58 -7.253 -3.538 8.019 414 3HG2 VAL 58 3HG2 VAL 58 -8.499 -3.717 6.786 415 H ARG 59 H ARG 59 -9.001 0.884 10.078 416 HA ARG 59 HA ARG 59 -10.942 -0.931 11.340 417 1HB ARG 59 2HB ARG 59 -9.398 -0.086 12.988 418 2HB ARG 59 1HB ARG 59 -9.602 1.556 12.401 419 1HG ARG 59 2HG ARG 59 -11.860 1.616 13.217 420 2HG ARG 59 1HG ARG 59 -11.767 -0.086 13.692 421 1HD ARG 59 2HD ARG 59 -9.942 2.060 14.728 422 2HD ARG 59 1HD ARG 59 -11.406 1.532 15.563 423 HE ARG 59 HE ARG 59 -10.249 -0.777 15.399 424 1HH1 ARG 59 1HH1 ARG 59 -8.634 2.276 15.936 425 2HH1 ARG 59 2HH1 ARG 59 -7.288 1.572 16.773 426 1HH2 ARG 59 1HH2 ARG 59 -8.493 -1.720 16.491 427 2HH2 ARG 59 2HH2 ARG 59 -7.227 -0.711 17.130 428 H GLY 60 H GLY 60 -12.751 -0.662 10.178 429 1HA GLY 60 2HA GLY 60 -14.624 0.441 9.357 430 2HA GLY 60 1HA GLY 60 -13.931 1.967 9.916 431 H ILE 61 H ILE 61 -12.199 -0.313 7.926 432 HA ILE 61 HA ILE 61 -11.559 1.803 6.101 433 HB ILE 61 HB ILE 61 -10.125 -0.256 6.921 434 1HG1 ILE 61 2HG1 ILE 61 -8.745 0.017 4.823 435 2HG1 ILE 61 1HG1 ILE 61 -10.052 1.007 4.182 436 1HG2 ILE 61 1HG2 ILE 61 -11.304 -1.308 4.348 437 2HG2 ILE 61 2HG2 ILE 61 -11.598 -1.965 5.958 438 3HG2 ILE 61 3HG2 ILE 61 -9.979 -2.033 5.260 439 1HD1 ILE 61 1HD1 ILE 61 -8.445 1.583 6.658 440 2HD1 ILE 61 2HD1 ILE 61 -9.778 2.565 6.051 441 3HD1 ILE 61 3HD1 ILE 61 -8.300 2.396 5.099 442 H ASN 62 H ASN 62 -11.611 1.438 3.753 443 HA ASN 62 HA ASN 62 -14.126 0.126 2.920 444 1HB ASN 62 2HB ASN 62 -12.885 2.706 2.055 445 2HB ASN 62 1HB ASN 62 -13.820 1.782 0.880 446 1HD2 ASN 62 1HD2 ASN 62 -14.510 1.862 4.319 447 2HD2 ASN 62 2HD2 ASN 62 -16.007 2.726 4.181 448 HA PRO 63 HA PRO 63 -11.246 -2.634 0.919 449 1HB PRO 63 2HB PRO 63 -13.680 -3.726 -0.316 450 2HB PRO 63 1HB PRO 63 -12.483 -4.523 0.716 451 1HG PRO 63 2HG PRO 63 -14.972 -3.894 1.561 452 2HG PRO 63 1HG PRO 63 -13.571 -3.946 2.643 453 1HD PRO 63 2HD PRO 63 -15.013 -1.611 1.505 454 2HD PRO 63 1HD PRO 63 -14.184 -1.780 3.064 455 H ASN 64 H ASN 64 -13.966 -1.166 -0.871 456 HA ASN 64 HA ASN 64 -12.838 -1.681 -3.422 457 1HB ASN 64 2HB ASN 64 -14.625 -0.542 -4.340 458 2HB ASN 64 1HB ASN 64 -15.294 -1.029 -2.790 459 1HD2 ASN 64 1HD2 ASN 64 -15.636 0.547 -1.192 460 2HD2 ASN 64 2HD2 ASN 64 -15.672 2.240 -1.596 461 H ASN 65 H ASN 65 -12.490 0.942 -1.157 462 HA ASN 65 HA ASN 65 -11.092 2.712 -2.905 463 1HB ASN 65 2HB ASN 65 -11.294 2.603 0.110 464 2HB ASN 65 1HB ASN 65 -10.429 3.855 -0.766 465 1HD2 ASN 65 1HD2 ASN 65 -11.862 5.379 0.195 466 2HD2 ASN 65 2HD2 ASN 65 -13.457 5.603 -0.439 467 H ALA 66 H ALA 66 -10.219 -0.115 -1.206 468 HA ALA 66 HA ALA 66 -7.476 0.427 -0.787 469 1HB ALA 66 1HB ALA 66 -8.646 -1.397 0.350 470 2HB ALA 66 2HB ALA 66 -7.214 -1.976 -0.502 471 3HB ALA 66 3HB ALA 66 -8.817 -2.245 -1.187 472 H GLU 67 H GLU 67 -9.165 -1.292 -3.424 473 HA GLU 67 HA GLU 67 -6.697 -1.531 -4.919 474 1HB GLU 67 2HB GLU 67 -9.506 -2.140 -5.847 475 2HB GLU 67 1HB GLU 67 -8.005 -2.691 -6.580 476 1HG GLU 67 2HG GLU 67 -7.566 -3.773 -4.288 477 2HG GLU 67 1HG GLU 67 -9.299 -3.556 -4.046 478 H ALA 68 H ALA 68 -8.542 0.995 -4.307 479 HA ALA 68 HA ALA 68 -8.859 2.025 -6.992 480 1HB ALA 68 1HB ALA 68 -9.402 3.363 -4.354 481 2HB ALA 68 2HB ALA 68 -10.557 2.369 -5.237 482 3HB ALA 68 3HB ALA 68 -9.971 3.879 -5.944 483 H LEU 69 H LEU 69 -6.811 2.564 -4.170 484 HA LEU 69 HA LEU 69 -5.565 4.891 -5.133 485 1HB LEU 69 2HB LEU 69 -3.798 4.427 -3.439 486 2HB LEU 69 1HB LEU 69 -5.431 4.514 -2.822 487 HG LEU 69 HG LEU 69 -5.161 1.829 -3.190 488 1HD1 LEU 69 1HD1 LEU 69 -2.827 2.006 -3.839 489 2HD1 LEU 69 2HD1 LEU 69 -2.982 1.180 -2.288 490 3HD1 LEU 69 3HD1 LEU 69 -2.460 2.865 -2.342 491 1HD2 LEU 69 1HD2 LEU 69 -6.030 2.950 -1.209 492 2HD2 LEU 69 2HD2 LEU 69 -4.394 3.420 -0.746 493 3HD2 LEU 69 3HD2 LEU 69 -4.849 1.715 -0.772 494 HA PRO 70 HA PRO 70 -2.086 2.051 -6.941 495 1HB PRO 70 2HB PRO 70 -2.893 -0.370 -7.892 496 2HB PRO 70 1HB PRO 70 -2.196 -0.140 -6.281 497 1HG PRO 70 2HG PRO 70 -5.062 -0.400 -7.086 498 2HG PRO 70 1HG PRO 70 -4.217 -1.112 -5.699 499 1HD PRO 70 2HD PRO 70 -5.785 1.082 -5.480 500 2HD PRO 70 1HD PRO 70 -4.355 0.824 -4.462 501 H GLY 71 H GLY 71 -5.285 2.575 -7.898 502 1HA GLY 71 2HA GLY 71 -4.627 2.417 -10.750 503 2HA GLY 71 1HA GLY 71 -6.232 2.666 -10.071 504 H LYS 72 H LYS 72 -6.153 4.741 -8.532 505 HA LYS 72 HA LYS 72 -6.116 6.938 -10.222 506 1HB LYS 72 2HB LYS 72 -5.856 6.962 -7.214 507 2HB LYS 72 1HB LYS 72 -6.388 8.300 -8.222 508 1HG LYS 72 2HG LYS 72 -7.817 5.680 -7.848 509 2HG LYS 72 1HG LYS 72 -8.272 7.237 -7.152 510 1HD LYS 72 2HD LYS 72 -8.196 6.517 -10.079 511 2HD LYS 72 1HD LYS 72 -9.637 6.777 -9.088 512 1HE LYS 72 2HE LYS 72 -7.559 8.818 -9.873 513 2HE LYS 72 1HE LYS 72 -9.238 8.744 -10.412 514 1HZ LYS 72 1HZ LYS 72 -8.194 9.473 -7.742 515 2HZ LYS 72 2HZ LYS 72 -9.812 9.024 -7.964 516 3HZ LYS 72 3HZ LYS 72 -9.189 10.380 -8.765 517 H CYS 73 H CYS 73 -3.565 5.702 -8.129 518 HA CYS 73 HA CYS 73 -2.071 8.181 -8.381 519 1HB CYS 73 2HB CYS 73 -1.449 5.637 -6.873 520 2HB CYS 73 1HB CYS 73 -0.541 7.148 -6.750 521 H GLY 74 H GLY 74 -2.447 5.764 -10.455 522 1HA GLY 74 2HA GLY 74 -1.236 5.139 -12.311 523 2HA GLY 74 1HA GLY 74 -0.084 6.409 -11.895 524 H VAL 75 H VAL 75 -1.155 3.285 -10.641 525 HA VAL 75 HA VAL 75 1.607 2.792 -9.789 526 HB VAL 75 HB VAL 75 -1.035 2.099 -8.557 527 1HG1 VAL 75 1HG1 VAL 75 0.091 0.657 -6.956 528 2HG1 VAL 75 2HG1 VAL 75 1.595 0.814 -7.862 529 3HG1 VAL 75 3HG1 VAL 75 0.206 0.008 -8.592 530 1HG2 VAL 75 1HG2 VAL 75 1.503 3.330 -7.497 531 2HG2 VAL 75 2HG2 VAL 75 0.023 3.066 -6.573 532 3HG2 VAL 75 3HG2 VAL 75 0.025 4.192 -7.932 533 H ASN 76 H ASN 76 -1.296 0.899 -10.580 534 HA ASN 76 HA ASN 76 -1.605 -1.080 -11.643 535 1HB ASN 76 2HB ASN 76 -0.973 0.279 -13.592 536 2HB ASN 76 1HB ASN 76 0.722 -0.134 -13.331 537 1HD2 ASN 76 1HD2 ASN 76 0.956 -1.125 -15.300 538 2HD2 ASN 76 2HD2 ASN 76 0.218 -2.642 -15.687 539 H ILE 77 H ILE 77 -1.115 -2.532 -10.045 540 HA ILE 77 HA ILE 77 1.490 -3.844 -10.328 541 HB ILE 77 HB ILE 77 1.389 -4.329 -7.832 542 1HG1 ILE 77 2HG1 ILE 77 -0.673 -2.126 -8.005 543 2HG1 ILE 77 1HG1 ILE 77 -0.855 -3.725 -7.297 544 1HG2 ILE 77 1HG2 ILE 77 1.855 -1.502 -8.767 545 2HG2 ILE 77 2HG2 ILE 77 3.022 -2.825 -8.780 546 3HG2 ILE 77 3HG2 ILE 77 2.437 -2.178 -7.245 547 1HD1 ILE 77 1HD1 ILE 77 0.900 -1.535 -6.217 548 2HD1 ILE 77 2HD1 ILE 77 0.642 -3.126 -5.496 549 3HD1 ILE 77 3HD1 ILE 77 -0.693 -1.979 -5.604 550 HA PRO 78 HA PRO 78 -0.911 -7.490 -10.937 551 1HB PRO 78 2HB PRO 78 1.356 -8.952 -9.726 552 2HB PRO 78 1HB PRO 78 0.667 -9.088 -11.350 553 1HG PRO 78 2HG PRO 78 3.048 -7.935 -10.945 554 2HG PRO 78 1HG PRO 78 1.921 -7.319 -12.173 555 1HD PRO 78 2HD PRO 78 2.502 -6.266 -9.428 556 2HD PRO 78 1HD PRO 78 2.257 -5.377 -10.948 557 H TYR 79 H TYR 79 0.859 -7.186 -7.904 558 HA TYR 79 HA TYR 79 -1.027 -8.832 -6.463 559 1HB TYR 79 2HB TYR 79 0.367 -8.083 -4.468 560 2HB TYR 79 1HB TYR 79 1.211 -9.027 -5.692 561 HD1 TYR 79 1HD TYR 79 0.550 -5.479 -4.706 562 HD2 TYR 79 2HD TYR 79 3.218 -8.250 -6.533 563 HE1 TYR 79 1HE TYR 79 2.240 -3.706 -4.919 564 HE2 TYR 79 2HE TYR 79 4.915 -6.486 -6.747 565 HH TYR 79 HH TYR 79 4.685 -3.496 -5.157 566 H LYS 80 H LYS 80 -1.841 -7.795 -4.296 567 HA LYS 80 HA LYS 80 -2.895 -5.135 -4.971 568 1HB LYS 80 2HB LYS 80 -4.365 -7.430 -3.665 569 2HB LYS 80 1HB LYS 80 -4.999 -5.796 -3.811 570 1HG LYS 80 2HG LYS 80 -4.312 -7.660 -6.075 571 2HG LYS 80 1HG LYS 80 -5.929 -7.206 -5.531 572 1HD LYS 80 2HD LYS 80 -5.449 -4.865 -6.117 573 2HD LYS 80 1HD LYS 80 -3.848 -5.349 -6.688 574 1HE LYS 80 2HE LYS 80 -5.419 -5.111 -8.547 575 2HE LYS 80 1HE LYS 80 -4.875 -6.779 -8.380 576 1HZ LYS 80 1HZ LYS 80 -7.216 -6.773 -8.766 577 2HZ LYS 80 2HZ LYS 80 -7.495 -5.660 -7.516 578 3HZ LYS 80 3HZ LYS 80 -6.966 -7.230 -7.154 579 H ILE 81 H ILE 81 -3.543 -3.843 -3.172 580 HA ILE 81 HA ILE 81 -1.761 -3.855 -0.976 581 HB ILE 81 HB ILE 81 -2.703 -1.788 -1.821 582 1HG1 ILE 81 2HG1 ILE 81 -2.295 -2.220 0.767 583 2HG1 ILE 81 1HG1 ILE 81 -2.935 -0.691 0.182 584 1HG2 ILE 81 1HG2 ILE 81 -4.825 -2.611 -2.608 585 2HG2 ILE 81 2HG2 ILE 81 -5.071 -1.228 -1.542 586 3HG2 ILE 81 3HG2 ILE 81 -5.376 -2.860 -0.950 587 1HD1 ILE 81 1HD1 ILE 81 -4.542 -2.959 1.339 588 2HD1 ILE 81 2HD1 ILE 81 -5.198 -1.434 0.747 589 3HD1 ILE 81 3HD1 ILE 81 -4.130 -1.448 2.150 590 H SER 82 H SER 82 -4.934 -5.162 -1.559 591 HA SER 82 HA SER 82 -5.792 -5.866 0.961 592 1HB SER 82 2HB SER 82 -5.905 -7.687 -1.453 593 2HB SER 82 1HB SER 82 -7.061 -7.586 -0.117 594 HG SER 82 HG SER 82 -7.884 -6.466 -1.885 595 H THR 83 H THR 83 -5.219 -7.474 2.423 596 HA THR 83 HA THR 83 -2.406 -8.029 2.255 597 HB THR 83 HB THR 83 -3.516 -7.131 4.301 598 HG1 THR 83 1HG THR 83 -1.459 -8.344 4.235 599 1HG2 THR 83 1HG2 THR 83 -5.525 -8.518 4.307 600 2HG2 THR 83 2HG2 THR 83 -4.633 -8.708 5.816 601 3HG2 THR 83 3HG2 THR 83 -4.543 -9.956 4.575 602 H SER 84 H SER 84 -4.437 -9.627 0.653 603 HA SER 84 HA SER 84 -3.896 -12.338 1.567 604 1HB SER 84 2HB SER 84 -6.089 -11.570 0.479 605 2HB SER 84 1HB SER 84 -5.188 -11.488 -1.037 606 HG SER 84 HG SER 84 -6.397 -13.552 -0.182 607 H THR 85 H THR 85 -1.960 -10.181 0.517 608 HA THR 85 HA THR 85 -0.906 -10.987 -1.965 609 HB THR 85 HB THR 85 1.007 -9.729 -0.163 610 HG1 THR 85 1HG THR 85 -1.167 -8.045 -0.659 611 1HG2 THR 85 1HG2 THR 85 -0.382 -8.773 -2.672 612 2HG2 THR 85 2HG2 THR 85 1.145 -9.654 -2.614 613 3HG2 THR 85 3HG2 THR 85 1.036 -8.035 -1.926 614 H ASN 86 H ASN 86 0.454 -12.579 -2.487 615 HA ASN 86 HA ASN 86 1.611 -14.307 -0.504 616 1HB ASN 86 2HB ASN 86 0.873 -15.018 -2.835 617 2HB ASN 86 1HB ASN 86 2.296 -14.184 -3.451 618 1HD2 ASN 86 1HD2 ASN 86 1.537 -16.989 -3.582 619 2HD2 ASN 86 2HD2 ASN 86 2.849 -17.882 -2.870 620 H CYS 87 H CYS 87 2.675 -12.563 0.639 621 HA CYS 87 HA CYS 87 4.392 -10.680 -0.409 622 1HB CYS 87 2HB CYS 87 3.531 -10.464 1.821 623 2HB CYS 87 1HB CYS 87 4.326 -11.954 2.328 624 H ASN 88 H ASN 88 5.196 -13.909 0.783 625 HA ASN 88 HA ASN 88 7.976 -13.554 0.918 626 1HB ASN 88 2HB ASN 88 6.316 -16.055 0.589 627 2HB ASN 88 1HB ASN 88 8.052 -16.070 0.875 628 1HD2 ASN 88 1HD2 ASN 88 7.733 -17.202 2.801 629 2HD2 ASN 88 2HD2 ASN 88 7.152 -16.415 4.235 630 H SER 89 H SER 89 5.994 -13.921 -1.865 631 HA SER 89 HA SER 89 8.426 -14.237 -3.460 632 1HB SER 89 2HB SER 89 5.948 -15.931 -3.835 633 2HB SER 89 1HB SER 89 7.372 -15.955 -4.875 634 HG SER 89 HG SER 89 8.334 -16.322 -2.500 635 H ILE 90 H ILE 90 6.456 -12.006 -2.947 636 HA ILE 90 HA ILE 90 5.091 -11.556 -5.406 637 HB ILE 90 HB ILE 90 5.030 -9.174 -4.802 638 1HG1 ILE 90 2HG1 ILE 90 6.615 -9.974 -2.353 639 2HG1 ILE 90 1HG1 ILE 90 7.272 -9.083 -3.729 640 1HG2 ILE 90 1HG2 ILE 90 3.704 -9.402 -2.759 641 2HG2 ILE 90 2HG2 ILE 90 4.335 -11.035 -2.546 642 3HG2 ILE 90 3HG2 ILE 90 3.326 -10.656 -3.942 643 1HD1 ILE 90 1HD1 ILE 90 5.679 -7.273 -3.293 644 2HD1 ILE 90 2HD1 ILE 90 6.732 -7.581 -1.912 645 3HD1 ILE 90 3HD1 ILE 90 5.066 -8.161 -1.899 646 H ASN 91 H ASN 91 8.355 -11.393 -4.464 647 HA ASN 91 HA ASN 91 9.175 -9.691 -6.639 648 1HB ASN 91 2HB ASN 91 11.523 -10.474 -5.857 649 2HB ASN 91 1HB ASN 91 10.591 -9.398 -4.823 650 1HD2 ASN 91 1HD2 ASN 91 10.067 -12.875 -5.188 651 2HD2 ASN 91 2HD2 ASN 91 10.517 -13.283 -3.562 Start of MODEL 12 1 1H MET 1 1HT MET 1 14.096 0.466 6.105 2 2H MET 1 2HT MET 1 14.292 1.934 6.931 3 3H MET 1 3HT MET 1 13.226 1.839 5.615 4 HA MET 1 HA MET 1 12.955 0.450 8.216 5 1HB MET 1 2HB MET 1 12.417 2.748 8.528 6 2HB MET 1 1HB MET 1 11.514 2.818 7.017 7 1HG MET 1 2HG MET 1 10.100 2.793 9.051 8 2HG MET 1 1HG MET 1 9.760 1.481 7.920 9 1HE MET 1 1HE MET 1 8.585 -0.172 9.324 10 2HE MET 1 2HE MET 1 8.466 1.016 10.629 11 3HE MET 1 3HE MET 1 9.016 -0.624 10.978 12 H THR 2 H THR 2 11.364 1.137 5.075 13 HA THR 2 HA THR 2 10.327 -0.311 3.667 14 HB THR 2 HB THR 2 10.688 -2.498 5.703 15 HG1 THR 2 1HG THR 2 12.422 -2.014 3.492 16 1HG2 THR 2 1HG2 THR 2 9.106 -2.972 3.890 17 2HG2 THR 2 2HG2 THR 2 10.562 -3.955 3.726 18 3HG2 THR 2 3HG2 THR 2 10.331 -2.538 2.699 19 H CYS 3 H CYS 3 9.210 -1.946 6.651 20 HA CYS 3 HA CYS 3 6.522 -1.863 5.908 21 1HB CYS 3 2HB CYS 3 7.490 -3.397 7.613 22 2HB CYS 3 1HB CYS 3 7.608 -2.036 8.725 23 H GLY 4 H GLY 4 8.464 0.405 7.733 24 1HA GLY 4 2HA GLY 4 6.217 2.111 8.414 25 2HA GLY 4 1HA GLY 4 7.920 2.490 8.647 26 H GLN 5 H GLN 5 8.479 1.757 5.869 27 HA GLN 5 HA GLN 5 8.063 4.213 4.524 28 1HB GLN 5 2HB GLN 5 9.965 2.729 4.074 29 2HB GLN 5 1HB GLN 5 8.873 1.474 3.522 30 1HG GLN 5 2HG GLN 5 8.164 3.216 1.755 31 2HG GLN 5 1HG GLN 5 9.685 4.000 2.183 32 1HE2 GLN 5 1HE2 GLN 5 8.808 2.637 -0.295 33 2HE2 GLN 5 2HE2 GLN 5 9.982 1.397 -0.592 34 H VAL 6 H VAL 6 6.588 1.006 4.410 35 HA VAL 6 HA VAL 6 4.665 1.404 2.404 36 HB VAL 6 HB VAL 6 4.086 -0.223 4.872 37 1HG1 VAL 6 1HG1 VAL 6 2.366 -0.100 3.164 38 2HG1 VAL 6 2HG1 VAL 6 3.019 -1.734 3.310 39 3HG1 VAL 6 3HG1 VAL 6 3.511 -0.705 1.966 40 1HG2 VAL 6 1HG2 VAL 6 6.021 -0.943 2.700 41 2HG2 VAL 6 2HG2 VAL 6 5.287 -2.114 3.790 42 3HG2 VAL 6 3HG2 VAL 6 6.327 -0.839 4.437 43 H GLN 7 H GLN 7 4.605 1.981 5.888 44 HA GLN 7 HA GLN 7 1.970 2.713 6.239 45 1HB GLN 7 2HB GLN 7 3.616 2.455 8.077 46 2HB GLN 7 1HB GLN 7 4.380 3.962 7.581 47 1HG GLN 7 2HG GLN 7 2.357 5.187 8.106 48 2HG GLN 7 1HG GLN 7 1.539 3.686 8.541 49 1HE2 GLN 7 1HE2 GLN 7 3.944 6.019 9.470 50 2HE2 GLN 7 2HE2 GLN 7 4.099 5.495 11.112 51 H GLY 8 H GLY 8 4.566 4.457 4.698 52 1HA GLY 8 2HA GLY 8 3.423 7.034 4.720 53 2HA GLY 8 1HA GLY 8 4.612 6.452 3.573 54 H ASN 9 H ASN 9 2.879 4.269 2.567 55 HA ASN 9 HA ASN 9 1.391 5.941 0.725 56 1HB ASN 9 2HB ASN 9 1.309 4.172 -0.747 57 2HB ASN 9 1HB ASN 9 2.816 3.863 0.085 58 1HD2 ASN 9 1HD2 ASN 9 -0.495 2.873 -0.351 59 2HD2 ASN 9 2HD2 ASN 9 -0.317 1.292 0.339 60 H LEU 10 H LEU 10 0.757 3.726 3.332 61 HA LEU 10 HA LEU 10 -2.082 3.662 2.872 62 1HB LEU 10 2HB LEU 10 -0.319 2.693 5.087 63 2HB LEU 10 1HB LEU 10 -2.051 2.786 5.332 64 HG LEU 10 HG LEU 10 -1.637 0.564 4.730 65 1HD1 LEU 10 1HD1 LEU 10 -2.465 1.974 2.204 66 2HD1 LEU 10 2HD1 LEU 10 -3.525 1.517 3.538 67 3HD1 LEU 10 3HD1 LEU 10 -2.729 0.272 2.574 68 1HD2 LEU 10 1HD2 LEU 10 0.083 1.585 2.482 69 2HD2 LEU 10 2HD2 LEU 10 -0.318 -0.106 2.774 70 3HD2 LEU 10 3HD2 LEU 10 0.639 0.791 3.954 71 H ALA 11 H ALA 11 -0.004 5.252 5.289 72 HA ALA 11 HA ALA 11 -1.988 6.243 6.939 73 1HB ALA 11 1HB ALA 11 0.701 7.473 6.361 74 2HB ALA 11 2HB ALA 11 0.359 6.226 7.560 75 3HB ALA 11 3HB ALA 11 -0.323 7.841 7.750 76 H GLN 12 H GLN 12 -0.553 7.784 4.088 77 HA GLN 12 HA GLN 12 -1.885 10.264 4.486 78 1HB GLN 12 2HB GLN 12 -0.747 9.139 1.922 79 2HB GLN 12 1HB GLN 12 -1.113 10.826 2.248 80 1HG GLN 12 2HG GLN 12 0.898 9.232 3.802 81 2HG GLN 12 1HG GLN 12 1.305 10.203 2.390 82 1HE2 GLN 12 1HE2 GLN 12 -0.696 12.270 3.139 83 2HE2 GLN 12 2HE2 GLN 12 0.026 13.143 4.445 84 H CYS 13 H CYS 13 -2.636 7.361 2.628 85 HA CYS 13 HA CYS 13 -4.947 8.574 1.427 86 1HB CYS 13 2HB CYS 13 -3.665 5.907 1.298 87 2HB CYS 13 1HB CYS 13 -5.391 5.981 0.954 88 H ILE 14 H ILE 14 -4.286 7.036 4.396 89 HA ILE 14 HA ILE 14 -6.446 5.579 5.110 90 HB ILE 14 HB ILE 14 -4.702 7.450 6.618 91 1HG1 ILE 14 2HG1 ILE 14 -5.472 4.545 6.963 92 2HG1 ILE 14 1HG1 ILE 14 -4.029 5.145 6.147 93 1HG2 ILE 14 1HG2 ILE 14 -7.152 6.235 7.889 94 2HG2 ILE 14 2HG2 ILE 14 -6.916 7.953 7.547 95 3HG2 ILE 14 3HG2 ILE 14 -5.874 7.129 8.714 96 1HD1 ILE 14 1HD1 ILE 14 -3.495 4.343 8.363 97 2HD1 ILE 14 2HD1 ILE 14 -4.672 5.448 9.073 98 3HD1 ILE 14 3HD1 ILE 14 -3.239 6.086 8.267 99 H GLY 15 H GLY 15 -6.360 9.141 5.047 100 1HA GLY 15 2HA GLY 15 -8.836 9.620 6.244 101 2HA GLY 15 1HA GLY 15 -8.066 10.681 5.092 102 H PHE 16 H PHE 16 -8.097 8.816 2.926 103 HA PHE 16 HA PHE 16 -10.919 8.921 2.169 104 1HB PHE 16 2HB PHE 16 -9.522 9.819 0.503 105 2HB PHE 16 1HB PHE 16 -8.316 8.552 0.716 106 HD1 PHE 16 1HD PHE 16 -11.493 9.466 -0.860 107 HD2 PHE 16 2HD PHE 16 -8.587 6.394 -0.364 108 HE1 PHE 16 1HE PHE 16 -12.476 8.242 -2.747 109 HE2 PHE 16 2HE PHE 16 -9.569 5.165 -2.259 110 HZ PHE 16 HZ PHE 16 -11.471 6.094 -3.474 111 H LEU 17 H LEU 17 -8.302 6.757 2.723 112 HA LEU 17 HA LEU 17 -9.154 4.333 1.713 113 1HB LEU 17 2HB LEU 17 -6.937 5.062 2.743 114 2HB LEU 17 1HB LEU 17 -7.684 4.784 4.306 115 HG LEU 17 HG LEU 17 -7.988 2.422 3.700 116 1HD1 LEU 17 1HD1 LEU 17 -6.246 3.136 1.338 117 2HD1 LEU 17 2HD1 LEU 17 -7.964 2.718 1.248 118 3HD1 LEU 17 3HD1 LEU 17 -6.791 1.512 1.783 119 1HD2 LEU 17 1HD2 LEU 17 -5.624 1.818 3.967 120 2HD2 LEU 17 2HD2 LEU 17 -6.110 3.123 5.050 121 3HD2 LEU 17 3HD2 LEU 17 -5.175 3.483 3.598 122 H GLN 18 H GLN 18 -9.904 5.877 4.805 123 HA GLN 18 HA GLN 18 -11.668 3.652 5.506 124 1HB GLN 18 2HB GLN 18 -9.996 3.945 7.157 125 2HB GLN 18 1HB GLN 18 -10.178 5.694 7.140 126 1HG GLN 18 2HG GLN 18 -12.407 5.454 8.097 127 2HG GLN 18 1HG GLN 18 -12.176 3.706 8.163 128 1HE2 GLN 18 1HE2 GLN 18 -12.677 5.593 10.322 129 2HE2 GLN 18 2HE2 GLN 18 -11.342 5.444 11.416 130 H LYS 19 H LYS 19 -11.463 7.226 5.563 131 HA LYS 19 HA LYS 19 -14.266 7.379 6.291 132 1HB LYS 19 2HB LYS 19 -12.281 9.601 5.794 133 2HB LYS 19 1HB LYS 19 -13.894 9.794 6.463 134 1HG LYS 19 2HG LYS 19 -13.229 8.390 8.381 135 2HG LYS 19 1HG LYS 19 -11.596 8.311 7.721 136 1HD LYS 19 2HD LYS 19 -13.038 10.837 8.540 137 2HD LYS 19 1HD LYS 19 -11.817 10.005 9.499 138 1HE LYS 19 2HE LYS 19 -10.478 11.550 8.502 139 2HE LYS 19 1HE LYS 19 -10.416 10.307 7.255 140 1HZ LYS 19 1HZ LYS 19 -10.847 12.431 6.252 141 2HZ LYS 19 2HZ LYS 19 -12.169 12.708 7.277 142 3HZ LYS 19 3HZ LYS 19 -12.244 11.482 6.112 143 H GLY 20 H GLY 20 -12.223 8.047 3.510 144 1HA GLY 20 2HA GLY 20 -13.108 7.828 1.285 145 2HA GLY 20 1HA GLY 20 -14.666 8.372 1.897 146 H GLY 21 H GLY 21 -14.243 9.747 -0.154 147 1HA GLY 21 2HA GLY 21 -14.454 12.186 -0.227 148 2HA GLY 21 1HA GLY 21 -13.010 12.263 0.779 149 H VAL 22 H VAL 22 -10.992 12.033 -0.162 150 HA VAL 22 HA VAL 22 -10.821 11.747 -3.049 151 HB VAL 22 HB VAL 22 -11.374 14.106 -2.804 152 1HG1 VAL 22 1HG1 VAL 22 -10.663 14.459 -0.516 153 2HG1 VAL 22 2HG1 VAL 22 -9.902 15.646 -1.576 154 3HG1 VAL 22 3HG1 VAL 22 -8.975 14.267 -0.986 155 1HG2 VAL 22 1HG2 VAL 22 -9.404 15.118 -3.893 156 2HG2 VAL 22 2HG2 VAL 22 -9.835 13.553 -4.584 157 3HG2 VAL 22 3HG2 VAL 22 -8.465 13.682 -3.479 158 H VAL 23 H VAL 23 -8.789 11.110 -3.753 159 HA VAL 23 HA VAL 23 -6.844 10.464 -1.686 160 HB VAL 23 HB VAL 23 -6.818 9.866 -4.644 161 1HG1 VAL 23 1HG1 VAL 23 -4.949 8.961 -2.454 162 2HG1 VAL 23 2HG1 VAL 23 -4.545 9.998 -3.822 163 3HG1 VAL 23 3HG1 VAL 23 -4.974 8.310 -4.094 164 1HG2 VAL 23 1HG2 VAL 23 -7.298 7.570 -3.938 165 2HG2 VAL 23 2HG2 VAL 23 -8.564 8.689 -3.432 166 3HG2 VAL 23 3HG2 VAL 23 -7.377 8.114 -2.263 167 HA PRO 24 HA PRO 24 -4.751 14.271 -2.704 168 1HB PRO 24 2HB PRO 24 -2.994 13.752 -0.484 169 2HB PRO 24 1HB PRO 24 -4.324 14.907 -0.576 170 1HG PRO 24 2HG PRO 24 -4.336 12.690 1.039 171 2HG PRO 24 1HG PRO 24 -5.804 13.475 0.419 172 1HD PRO 24 2HD PRO 24 -4.391 11.037 -0.596 173 2HD PRO 24 1HD PRO 24 -6.136 11.337 -0.397 174 HA PRO 25 HA PRO 25 -1.162 12.898 -4.979 175 1HB PRO 25 2HB PRO 25 0.271 15.263 -4.830 176 2HB PRO 25 1HB PRO 25 -0.984 14.911 -6.027 177 1HG PRO 25 2HG PRO 25 -1.170 16.469 -3.482 178 2HG PRO 25 1HG PRO 25 -1.920 16.793 -5.057 179 1HD PRO 25 2HD PRO 25 -3.327 15.743 -3.027 180 2HD PRO 25 1HD PRO 25 -3.615 15.248 -4.708 181 H SER 26 H SER 26 -1.182 13.910 -1.767 182 HA SER 26 HA SER 26 1.587 13.676 -1.122 183 1HB SER 26 2HB SER 26 -0.808 13.349 0.712 184 2HB SER 26 1HB SER 26 0.836 13.795 1.178 185 HG SER 26 HG SER 26 0.584 15.740 0.018 186 H CYS 27 H CYS 27 -1.282 11.657 -0.761 187 HA CYS 27 HA CYS 27 0.027 9.298 0.059 188 1HB CYS 27 2HB CYS 27 -2.410 9.610 0.247 189 2HB CYS 27 1HB CYS 27 -2.535 9.595 -1.514 190 H CYS 28 H CYS 28 -0.923 10.587 -3.095 191 HA CYS 28 HA CYS 28 -0.217 8.416 -4.624 192 1HB CYS 28 2HB CYS 28 -0.400 11.328 -5.241 193 2HB CYS 28 1HB CYS 28 0.168 10.193 -6.467 194 H THR 29 H THR 29 1.808 10.936 -3.320 195 HA THR 29 HA THR 29 4.135 10.189 -4.766 196 HB THR 29 HB THR 29 3.924 11.626 -2.101 197 HG1 THR 29 1HG THR 29 2.827 12.745 -3.771 198 1HG2 THR 29 1HG2 THR 29 6.173 10.739 -2.560 199 2HG2 THR 29 2HG2 THR 29 6.138 12.502 -2.605 200 3HG2 THR 29 3HG2 THR 29 6.181 11.582 -4.109 201 H GLY 30 H GLY 30 2.856 9.406 -1.549 202 1HA GLY 30 2HA GLY 30 4.998 7.762 -0.714 203 2HA GLY 30 1HA GLY 30 3.359 7.726 -0.066 204 H VAL 31 H VAL 31 2.022 7.044 -2.489 205 HA VAL 31 HA VAL 31 2.328 4.241 -2.515 206 HB VAL 31 HB VAL 31 0.973 5.958 -4.605 207 1HG1 VAL 31 1HG1 VAL 31 1.421 3.698 -5.397 208 2HG1 VAL 31 2HG1 VAL 31 -0.305 3.927 -5.118 209 3HG1 VAL 31 3HG1 VAL 31 0.666 3.028 -3.951 210 1HG2 VAL 31 1HG2 VAL 31 -1.100 5.444 -3.381 211 2HG2 VAL 31 2HG2 VAL 31 0.037 6.380 -2.408 212 3HG2 VAL 31 3HG2 VAL 31 -0.145 4.648 -2.128 213 H LYS 32 H LYS 32 3.320 6.751 -4.842 214 HA LYS 32 HA LYS 32 4.587 5.044 -6.667 215 1HB LYS 32 2HB LYS 32 5.051 7.941 -5.979 216 2HB LYS 32 1HB LYS 32 5.977 7.118 -7.228 217 1HG LYS 32 2HG LYS 32 3.894 6.603 -8.415 218 2HG LYS 32 1HG LYS 32 2.988 7.478 -7.181 219 1HD LYS 32 2HD LYS 32 4.151 9.534 -7.751 220 2HD LYS 32 1HD LYS 32 5.140 8.670 -8.931 221 1HE LYS 32 2HE LYS 32 3.136 8.129 -10.218 222 2HE LYS 32 1HE LYS 32 2.142 8.981 -9.038 223 1HZ LYS 32 1HZ LYS 32 3.268 11.030 -9.595 224 2HZ LYS 32 2HZ LYS 32 2.608 10.337 -10.995 225 3HZ LYS 32 3HZ LYS 32 4.276 10.223 -10.696 226 H ASN 33 H ASN 33 5.650 6.424 -3.640 227 HA ASN 33 HA ASN 33 8.377 5.742 -3.723 228 1HB ASN 33 2HB ASN 33 7.206 7.165 -1.972 229 2HB ASN 33 1HB ASN 33 6.593 5.659 -1.279 230 1HD2 ASN 33 1HD2 ASN 33 9.348 7.709 -1.697 231 2HD2 ASN 33 2HD2 ASN 33 10.393 6.857 -0.610 232 H ILE 34 H ILE 34 5.589 4.014 -2.407 233 HA ILE 34 HA ILE 34 6.957 1.683 -1.703 234 HB ILE 34 HB ILE 34 4.088 2.420 -2.102 235 1HG1 ILE 34 2HG1 ILE 34 4.910 3.327 -0.139 236 2HG1 ILE 34 1HG1 ILE 34 4.163 1.834 0.415 237 1HG2 ILE 34 1HG2 ILE 34 3.319 0.338 -1.219 238 2HG2 ILE 34 2HG2 ILE 34 4.970 -0.287 -1.152 239 3HG2 ILE 34 3HG2 ILE 34 4.222 0.060 -2.713 240 1HD1 ILE 34 1HD1 ILE 34 6.879 2.715 0.648 241 2HD1 ILE 34 2HD1 ILE 34 6.826 1.158 -0.176 242 3HD1 ILE 34 3HD1 ILE 34 6.077 1.347 1.415 243 H LEU 35 H LEU 35 5.947 2.771 -4.775 244 HA LEU 35 HA LEU 35 6.290 0.150 -5.966 245 1HB LEU 35 2HB LEU 35 5.634 2.862 -6.984 246 2HB LEU 35 1HB LEU 35 6.418 1.757 -8.093 247 HG LEU 35 HG LEU 35 4.544 0.120 -7.398 248 1HD1 LEU 35 1HD1 LEU 35 3.277 2.743 -6.660 249 2HD1 LEU 35 2HD1 LEU 35 3.647 1.413 -5.563 250 3HD1 LEU 35 3HD1 LEU 35 2.435 1.202 -6.826 251 1HD2 LEU 35 1HD2 LEU 35 3.976 2.509 -9.134 252 2HD2 LEU 35 2HD2 LEU 35 3.135 0.959 -9.190 253 3HD2 LEU 35 3HD2 LEU 35 4.843 1.053 -9.621 254 H ASN 36 H ASN 36 7.884 3.241 -6.586 255 HA ASN 36 HA ASN 36 10.063 1.891 -7.880 256 1HB ASN 36 2HB ASN 36 9.658 4.830 -7.305 257 2HB ASN 36 1HB ASN 36 10.902 4.159 -8.353 258 1HD2 ASN 36 1HD2 ASN 36 7.544 4.907 -7.998 259 2HD2 ASN 36 2HD2 ASN 36 7.090 4.626 -9.650 260 H SER 37 H SER 37 9.630 3.542 -4.801 261 HA SER 37 HA SER 37 12.498 3.616 -4.366 262 1HB SER 37 2HB SER 37 10.203 4.655 -2.704 263 2HB SER 37 1HB SER 37 11.910 4.828 -2.273 264 HG SER 37 HG SER 37 10.439 6.319 -3.956 265 H SER 38 H SER 38 10.019 1.409 -3.758 266 HA SER 38 HA SER 38 11.180 0.122 -1.491 267 1HB SER 38 2HB SER 38 9.537 -1.082 -3.741 268 2HB SER 38 1HB SER 38 9.832 -1.801 -2.159 269 HG SER 38 HG SER 38 7.825 -0.347 -2.723 270 H ARG 39 H ARG 39 13.344 0.033 -1.745 271 HA ARG 39 HA ARG 39 14.669 -0.074 -4.190 272 1HB ARG 39 2HB ARG 39 15.799 -0.712 -1.465 273 2HB ARG 39 1HB ARG 39 16.714 -0.232 -2.890 274 1HG ARG 39 2HG ARG 39 15.989 1.957 -2.779 275 2HG ARG 39 1HG ARG 39 14.586 1.551 -1.785 276 1HD ARG 39 2HD ARG 39 17.480 1.480 -0.933 277 2HD ARG 39 1HD ARG 39 16.277 2.677 -0.448 278 HE ARG 39 HE ARG 39 15.446 0.022 0.194 279 1HH1 ARG 39 1HH1 ARG 39 17.528 2.629 1.272 280 2HH1 ARG 39 2HH1 ARG 39 17.519 2.109 2.933 281 1HH2 ARG 39 1HH2 ARG 39 15.377 -0.622 2.367 282 2HH2 ARG 39 2HH2 ARG 39 16.289 0.265 3.554 283 H THR 40 H THR 40 15.312 -2.472 -1.666 284 HA THR 40 HA THR 40 16.273 -4.204 -3.798 285 HB THR 40 HB THR 40 17.430 -5.422 -1.988 286 HG1 THR 40 1HG THR 40 16.376 -3.372 -0.280 287 1HG2 THR 40 1HG2 THR 40 18.981 -3.593 -1.350 288 2HG2 THR 40 2HG2 THR 40 17.827 -2.425 -2.003 289 3HG2 THR 40 3HG2 THR 40 18.594 -3.601 -3.071 290 H THR 41 H THR 41 16.231 -6.665 -2.866 291 HA THR 41 HA THR 41 13.625 -7.622 -3.145 292 HB THR 41 HB THR 41 15.960 -8.939 -1.762 293 HG1 THR 41 1HG THR 41 15.027 -9.009 -4.466 294 1HG2 THR 41 1HG2 THR 41 13.461 -10.162 -2.949 295 2HG2 THR 41 2HG2 THR 41 13.800 -10.004 -1.227 296 3HG2 THR 41 3HG2 THR 41 14.809 -11.046 -2.234 297 H ALA 42 H ALA 42 15.582 -7.249 -0.180 298 HA ALA 42 HA ALA 42 13.610 -8.105 1.610 299 1HB ALA 42 1HB ALA 42 15.956 -7.878 2.250 300 2HB ALA 42 2HB ALA 42 14.913 -6.967 3.342 301 3HB ALA 42 3HB ALA 42 15.836 -6.126 2.097 302 H ASP 43 H ASP 43 14.101 -5.088 -0.021 303 HA ASP 43 HA ASP 43 12.303 -3.566 1.610 304 1HB ASP 43 2HB ASP 43 13.544 -3.083 -1.101 305 2HB ASP 43 1HB ASP 43 12.442 -1.940 -0.355 306 H ARG 44 H ARG 44 12.149 -5.174 -1.537 307 HA ARG 44 HA ARG 44 9.460 -4.352 -2.084 308 1HB ARG 44 2HB ARG 44 11.263 -4.970 -3.779 309 2HB ARG 44 1HB ARG 44 10.928 -6.651 -3.374 310 1HG ARG 44 2HG ARG 44 9.716 -6.099 -5.352 311 2HG ARG 44 1HG ARG 44 8.559 -6.262 -4.030 312 1HD ARG 44 2HD ARG 44 8.537 -3.824 -3.761 313 2HD ARG 44 1HD ARG 44 9.673 -3.672 -5.100 314 HE ARG 44 HE ARG 44 6.966 -4.806 -5.421 315 1HH1 ARG 44 1HH1 ARG 44 9.604 -2.771 -6.507 316 2HH1 ARG 44 2HH1 ARG 44 8.752 -2.182 -7.903 317 1HH2 ARG 44 1HH2 ARG 44 5.846 -4.040 -7.269 318 2HH2 ARG 44 2HH2 ARG 44 6.607 -2.898 -8.336 319 H ARG 45 H ARG 45 10.988 -7.077 -0.607 320 HA ARG 45 HA ARG 45 8.816 -8.894 -0.621 321 1HB ARG 45 2HB ARG 45 11.351 -9.245 -0.135 322 2HB ARG 45 1HB ARG 45 10.943 -8.767 1.504 323 1HG ARG 45 2HG ARG 45 9.178 -10.645 1.369 324 2HG ARG 45 1HG ARG 45 10.139 -11.212 -0.006 325 1HD ARG 45 2HD ARG 45 12.153 -11.014 1.530 326 2HD ARG 45 1HD ARG 45 10.994 -10.852 2.846 327 HE ARG 45 HE ARG 45 10.308 -13.141 1.434 328 1HH1 ARG 45 1HH1 ARG 45 12.952 -11.928 3.365 329 2HH1 ARG 45 2HH1 ARG 45 13.478 -13.504 3.879 330 1HH2 ARG 45 1HH2 ARG 45 10.965 -15.218 2.119 331 2HH2 ARG 45 2HH2 ARG 45 12.342 -15.386 3.172 332 H ALA 46 H ALA 46 10.182 -6.886 1.982 333 HA ALA 46 HA ALA 46 8.071 -7.533 3.775 334 1HB ALA 46 1HB ALA 46 9.161 -6.022 5.321 335 2HB ALA 46 2HB ALA 46 10.163 -5.379 4.019 336 3HB ALA 46 3HB ALA 46 10.353 -7.055 4.531 337 H VAL 47 H VAL 47 8.574 -4.941 1.467 338 HA VAL 47 HA VAL 47 6.684 -3.150 2.582 339 HB VAL 47 HB VAL 47 8.338 -2.537 0.783 340 1HG1 VAL 47 1HG1 VAL 47 7.719 -2.852 -1.543 341 2HG1 VAL 47 2HG1 VAL 47 6.332 -3.827 -1.054 342 3HG1 VAL 47 3HG1 VAL 47 7.968 -4.404 -0.740 343 1HG2 VAL 47 1HG2 VAL 47 5.453 -1.838 0.303 344 2HG2 VAL 47 2HG2 VAL 47 6.838 -0.952 -0.337 345 3HG2 VAL 47 3HG2 VAL 47 6.563 -1.026 1.404 346 H CYS 48 H CYS 48 6.397 -6.022 0.655 347 HA CYS 48 HA CYS 48 3.599 -5.599 0.089 348 1HB CYS 48 2HB CYS 48 5.099 -6.835 -1.474 349 2HB CYS 48 1HB CYS 48 5.271 -8.101 -0.261 350 H SER 49 H SER 49 5.564 -7.644 2.230 351 HA SER 49 HA SER 49 3.400 -8.978 3.455 352 1HB SER 49 2HB SER 49 6.168 -8.422 4.545 353 2HB SER 49 1HB SER 49 5.035 -9.617 5.177 354 HG SER 49 HG SER 49 6.191 -10.814 3.827 355 H CYS 50 H CYS 50 4.792 -5.837 3.961 356 HA CYS 50 HA CYS 50 3.318 -5.448 6.431 357 1HB CYS 50 2HB CYS 50 5.537 -4.426 6.189 358 2HB CYS 50 1HB CYS 50 4.967 -3.513 4.797 359 H LEU 51 H LEU 51 3.106 -4.613 3.021 360 HA LEU 51 HA LEU 51 1.028 -2.785 3.022 361 1HB LEU 51 2HB LEU 51 2.410 -3.684 1.071 362 2HB LEU 51 1HB LEU 51 1.320 -5.051 1.046 363 HG LEU 51 HG LEU 51 0.861 -3.317 -0.681 364 1HD1 LEU 51 1HD1 LEU 51 -1.553 -3.275 -0.395 365 2HD1 LEU 51 2HD1 LEU 51 -1.371 -3.745 1.296 366 3HD1 LEU 51 3HD1 LEU 51 -0.895 -4.859 0.015 367 1HD2 LEU 51 1HD2 LEU 51 1.417 -1.340 0.593 368 2HD2 LEU 51 2HD2 LEU 51 0.070 -1.643 1.692 369 3HD2 LEU 51 3HD2 LEU 51 -0.242 -1.245 0.002 370 H LYS 52 H LYS 52 0.842 -6.336 2.862 371 HA LYS 52 HA LYS 52 -1.950 -6.557 2.909 372 1HB LYS 52 2HB LYS 52 -1.517 -8.894 3.750 373 2HB LYS 52 1HB LYS 52 -0.676 -8.465 2.268 374 1HG LYS 52 2HG LYS 52 1.388 -8.351 3.320 375 2HG LYS 52 1HG LYS 52 0.668 -8.179 4.923 376 1HD LYS 52 2HD LYS 52 0.403 -10.668 3.248 377 2HD LYS 52 1HD LYS 52 1.696 -10.428 4.426 378 1HE LYS 52 2HE LYS 52 0.020 -10.128 6.193 379 2HE LYS 52 1HE LYS 52 -1.265 -10.381 5.014 380 1HZ LYS 52 1HZ LYS 52 0.787 -12.360 5.851 381 2HZ LYS 52 2HZ LYS 52 -0.348 -12.617 4.614 382 3HZ LYS 52 3HZ LYS 52 -0.871 -12.403 6.209 383 H ALA 53 H ALA 53 0.383 -6.252 5.533 384 HA ALA 53 HA ALA 53 -1.453 -6.896 7.614 385 1HB ALA 53 1HB ALA 53 0.235 -5.972 9.130 386 2HB ALA 53 2HB ALA 53 1.151 -5.386 7.739 387 3HB ALA 53 3HB ALA 53 0.930 -7.120 7.985 388 H ALA 54 H ALA 54 -0.425 -3.930 6.038 389 HA ALA 54 HA ALA 54 -1.673 -2.138 7.831 390 1HB ALA 54 1HB ALA 54 -1.074 -1.743 4.902 391 2HB ALA 54 2HB ALA 54 0.058 -1.468 6.224 392 3HB ALA 54 3HB ALA 54 -1.393 -0.476 6.086 393 H ALA 55 H ALA 55 -2.807 -3.866 4.995 394 HA ALA 55 HA ALA 55 -5.320 -2.576 4.778 395 1HB ALA 55 1HB ALA 55 -4.340 -3.884 2.950 396 2HB ALA 55 2HB ALA 55 -5.954 -4.462 3.366 397 3HB ALA 55 3HB ALA 55 -4.530 -5.355 3.905 398 H GLY 56 H GLY 56 -4.070 -4.926 6.944 399 1HA GLY 56 2HA GLY 56 -6.778 -5.542 7.928 400 2HA GLY 56 1HA GLY 56 -5.340 -6.506 8.250 401 H ALA 57 H ALA 57 -4.320 -3.438 8.481 402 HA ALA 57 HA ALA 57 -4.200 -3.533 11.348 403 1HB ALA 57 1HB ALA 57 -3.233 -1.456 9.384 404 2HB ALA 57 2HB ALA 57 -2.277 -2.743 10.116 405 3HB ALA 57 3HB ALA 57 -2.907 -1.435 11.116 406 H VAL 58 H VAL 58 -5.710 -1.490 8.901 407 HA VAL 58 HA VAL 58 -7.072 0.144 10.843 408 HB VAL 58 HB VAL 58 -6.399 1.210 8.809 409 1HG1 VAL 58 1HG1 VAL 58 -7.263 0.576 6.619 410 2HG1 VAL 58 2HG1 VAL 58 -8.088 -0.800 7.349 411 3HG1 VAL 58 3HG1 VAL 58 -6.326 -0.727 7.354 412 1HG2 VAL 58 1HG2 VAL 58 -8.517 2.149 8.013 413 2HG2 VAL 58 2HG2 VAL 58 -8.464 2.032 9.772 414 3HG2 VAL 58 3HG2 VAL 58 -9.387 0.854 8.836 415 H ARG 59 H ARG 59 -8.970 -0.240 11.735 416 HA ARG 59 HA ARG 59 -10.354 -2.676 11.104 417 1HB ARG 59 2HB ARG 59 -10.007 -1.927 13.436 418 2HB ARG 59 1HB ARG 59 -11.026 -0.532 13.119 419 1HG ARG 59 2HG ARG 59 -12.242 -2.238 14.334 420 2HG ARG 59 1HG ARG 59 -12.934 -2.008 12.726 421 1HD ARG 59 2HD ARG 59 -12.773 -4.382 13.334 422 2HD ARG 59 1HD ARG 59 -11.790 -3.989 11.924 423 HE ARG 59 HE ARG 59 -9.847 -3.963 13.474 424 1HH1 ARG 59 1HH1 ARG 59 -12.754 -5.695 14.403 425 2HH1 ARG 59 2HH1 ARG 59 -11.900 -6.818 15.425 426 1HH2 ARG 59 1HH2 ARG 59 -8.737 -5.428 14.808 427 2HH2 ARG 59 2HH2 ARG 59 -9.614 -6.679 15.639 428 H GLY 60 H GLY 60 -10.523 0.475 10.149 429 1HA GLY 60 2HA GLY 60 -13.322 0.214 9.265 430 2HA GLY 60 1HA GLY 60 -12.493 1.748 9.510 431 H ILE 61 H ILE 61 -10.922 -0.940 7.955 432 HA ILE 61 HA ILE 61 -10.145 0.531 5.715 433 HB ILE 61 HB ILE 61 -9.053 -1.592 6.483 434 1HG1 ILE 61 2HG1 ILE 61 -8.536 -2.434 4.212 435 2HG1 ILE 61 1HG1 ILE 61 -9.905 -1.532 3.575 436 1HG2 ILE 61 1HG2 ILE 61 -11.132 -2.895 6.790 437 2HG2 ILE 61 2HG2 ILE 61 -9.950 -3.728 5.779 438 3HG2 ILE 61 3HG2 ILE 61 -11.339 -2.931 5.033 439 1HD1 ILE 61 1HD1 ILE 61 -7.842 -0.372 3.122 440 2HD1 ILE 61 2HD1 ILE 61 -7.435 -0.369 4.839 441 3HD1 ILE 61 3HD1 ILE 61 -8.819 0.558 4.259 442 H ASN 62 H ASN 62 -10.999 0.908 3.782 443 HA ASN 62 HA ASN 62 -13.382 -0.622 2.990 444 1HB ASN 62 2HB ASN 62 -12.418 2.132 2.273 445 2HB ASN 62 1HB ASN 62 -13.449 1.246 1.150 446 1HD2 ASN 62 1HD2 ASN 62 -15.568 0.877 1.659 447 2HD2 ASN 62 2HD2 ASN 62 -16.370 1.683 2.969 448 HA PRO 63 HA PRO 63 -10.244 -2.797 0.637 449 1HB PRO 63 2HB PRO 63 -12.510 -4.262 -0.500 450 2HB PRO 63 1HB PRO 63 -11.161 -4.863 0.470 451 1HG PRO 63 2HG PRO 63 -13.717 -4.663 1.386 452 2HG PRO 63 1HG PRO 63 -12.287 -4.598 2.429 453 1HD PRO 63 2HD PRO 63 -14.084 -2.421 1.528 454 2HD PRO 63 1HD PRO 63 -13.141 -2.565 3.023 455 H ASN 64 H ASN 64 -13.209 -1.448 -0.562 456 HA ASN 64 HA ASN 64 -12.553 -1.414 -3.325 457 1HB ASN 64 2HB ASN 64 -14.843 -1.099 -2.715 458 2HB ASN 64 1HB ASN 64 -14.446 0.262 -1.670 459 1HD2 ASN 64 1HD2 ASN 64 -14.173 2.279 -2.546 460 2HD2 ASN 64 2HD2 ASN 64 -14.543 2.643 -4.205 461 H ASN 65 H ASN 65 -12.008 0.839 -0.686 462 HA ASN 65 HA ASN 65 -10.928 2.901 -2.356 463 1HB ASN 65 2HB ASN 65 -10.910 2.564 0.646 464 2HB ASN 65 1HB ASN 65 -10.400 4.011 -0.216 465 1HD2 ASN 65 1HD2 ASN 65 -11.988 5.219 0.892 466 2HD2 ASN 65 2HD2 ASN 65 -13.655 5.120 0.442 467 H ALA 66 H ALA 66 -9.701 0.224 -0.493 468 HA ALA 66 HA ALA 66 -6.960 0.913 -0.542 469 1HB ALA 66 1HB ALA 66 -7.888 -0.832 0.922 470 2HB ALA 66 2HB ALA 66 -6.543 -1.431 -0.048 471 3HB ALA 66 3HB ALA 66 -8.199 -1.841 -0.491 472 H GLU 67 H GLU 67 -8.947 -1.055 -2.737 473 HA GLU 67 HA GLU 67 -6.810 -1.543 -4.574 474 1HB GLU 67 2HB GLU 67 -8.707 -3.076 -4.364 475 2HB GLU 67 1HB GLU 67 -9.809 -1.815 -4.893 476 1HG GLU 67 2HG GLU 67 -9.415 -3.346 -6.694 477 2HG GLU 67 1HG GLU 67 -8.695 -1.784 -7.083 478 H ALA 68 H ALA 68 -8.738 1.144 -3.928 479 HA ALA 68 HA ALA 68 -8.837 2.203 -6.601 480 1HB ALA 68 1HB ALA 68 -9.743 4.219 -5.531 481 2HB ALA 68 2HB ALA 68 -9.395 3.527 -3.945 482 3HB ALA 68 3HB ALA 68 -10.587 2.764 -4.999 483 H LEU 69 H LEU 69 -6.653 2.316 -3.913 484 HA LEU 69 HA LEU 69 -5.426 4.783 -4.305 485 1HB LEU 69 2HB LEU 69 -4.019 2.308 -3.322 486 2HB LEU 69 1HB LEU 69 -3.594 3.975 -2.985 487 HG LEU 69 HG LEU 69 -6.011 2.482 -1.973 488 1HD1 LEU 69 1HD1 LEU 69 -4.999 2.886 0.213 489 2HD1 LEU 69 2HD1 LEU 69 -3.621 3.662 -0.568 490 3HD1 LEU 69 3HD1 LEU 69 -3.935 1.947 -0.832 491 1HD2 LEU 69 1HD2 LEU 69 -5.256 5.371 -1.545 492 2HD2 LEU 69 2HD2 LEU 69 -6.587 4.518 -0.764 493 3HD2 LEU 69 3HD2 LEU 69 -6.615 4.792 -2.507 494 HA PRO 70 HA PRO 70 -2.042 2.567 -7.042 495 1HB PRO 70 2HB PRO 70 -2.978 0.339 -8.375 496 2HB PRO 70 1HB PRO 70 -1.976 0.300 -6.919 497 1HG PRO 70 2HG PRO 70 -4.932 -0.012 -7.197 498 2HG PRO 70 1HG PRO 70 -3.803 -0.869 -6.130 499 1HD PRO 70 2HD PRO 70 -5.389 1.104 -5.231 500 2HD PRO 70 1HD PRO 70 -3.753 0.849 -4.592 501 H GLY 71 H GLY 71 -5.438 2.718 -7.752 502 1HA GLY 71 2HA GLY 71 -5.033 3.140 -10.593 503 2HA GLY 71 1HA GLY 71 -6.566 3.195 -9.735 504 H LYS 72 H LYS 72 -6.081 5.084 -7.805 505 HA LYS 72 HA LYS 72 -6.583 7.458 -9.190 506 1HB LYS 72 2HB LYS 72 -5.608 7.166 -6.341 507 2HB LYS 72 1HB LYS 72 -6.413 8.572 -7.020 508 1HG LYS 72 2HG LYS 72 -7.599 5.841 -6.579 509 2HG LYS 72 1HG LYS 72 -7.979 7.324 -5.704 510 1HD LYS 72 2HD LYS 72 -8.490 6.818 -8.634 511 2HD LYS 72 1HD LYS 72 -9.704 6.787 -7.349 512 1HE LYS 72 2HE LYS 72 -9.323 9.138 -6.896 513 2HE LYS 72 1HE LYS 72 -8.031 9.179 -8.103 514 1HZ LYS 72 1HZ LYS 72 -9.620 8.752 -9.827 515 2HZ LYS 72 2HZ LYS 72 -10.179 10.064 -8.913 516 3HZ LYS 72 3HZ LYS 72 -10.870 8.530 -8.704 517 H CYS 73 H CYS 73 -3.594 6.180 -7.855 518 HA CYS 73 HA CYS 73 -2.171 8.618 -8.607 519 1HB CYS 73 2HB CYS 73 -1.175 6.176 -7.124 520 2HB CYS 73 1HB CYS 73 -0.314 7.719 -7.279 521 H GLY 74 H GLY 74 -3.159 6.045 -10.218 522 1HA GLY 74 2HA GLY 74 -2.581 5.091 -12.217 523 2HA GLY 74 1HA GLY 74 -1.630 6.547 -12.474 524 H VAL 75 H VAL 75 -1.315 3.726 -10.301 525 HA VAL 75 HA VAL 75 1.394 3.392 -11.399 526 HB VAL 75 HB VAL 75 2.001 2.463 -9.080 527 1HG1 VAL 75 1HG1 VAL 75 2.881 4.550 -9.984 528 2HG1 VAL 75 2HG1 VAL 75 2.567 4.694 -8.255 529 3HG1 VAL 75 3HG1 VAL 75 1.451 5.409 -9.417 530 1HG2 VAL 75 1HG2 VAL 75 -0.420 4.100 -8.325 531 2HG2 VAL 75 2HG2 VAL 75 0.749 3.395 -7.207 532 3HG2 VAL 75 3HG2 VAL 75 -0.277 2.346 -8.186 533 H ASN 76 H ASN 76 -1.176 1.709 -9.636 534 HA ASN 76 HA ASN 76 -1.929 -0.428 -9.634 535 1HB ASN 76 2HB ASN 76 -2.392 0.264 -12.017 536 2HB ASN 76 1HB ASN 76 -0.906 -0.570 -12.474 537 1HD2 ASN 76 1HD2 ASN 76 -3.587 -1.127 -13.339 538 2HD2 ASN 76 2HD2 ASN 76 -3.945 -2.749 -12.852 539 H ILE 77 H ILE 77 -0.764 -1.625 -8.232 540 HA ILE 77 HA ILE 77 1.739 -2.810 -9.183 541 HB ILE 77 HB ILE 77 1.938 -3.671 -6.792 542 1HG1 ILE 77 2HG1 ILE 77 -0.542 -2.998 -6.317 543 2HG1 ILE 77 1HG1 ILE 77 0.671 -2.800 -5.059 544 1HG2 ILE 77 1HG2 ILE 77 2.109 -0.729 -7.372 545 2HG2 ILE 77 2HG2 ILE 77 3.355 -1.948 -7.644 546 3HG2 ILE 77 3HG2 ILE 77 2.871 -1.533 -5.999 547 1HD1 ILE 77 1HD1 ILE 77 -0.363 -0.613 -6.851 548 2HD1 ILE 77 2HD1 ILE 77 0.824 -0.424 -5.564 549 3HD1 ILE 77 3HD1 ILE 77 -0.834 -0.888 -5.176 550 HA PRO 78 HA PRO 78 -0.261 -6.684 -9.864 551 1HB PRO 78 2HB PRO 78 1.898 -8.297 -9.912 552 2HB PRO 78 1HB PRO 78 1.570 -7.123 -11.198 553 1HG PRO 78 2HG PRO 78 3.441 -6.913 -8.866 554 2HG PRO 78 1HG PRO 78 3.714 -6.470 -10.566 555 1HD PRO 78 2HD PRO 78 3.086 -4.657 -8.636 556 2HD PRO 78 1HD PRO 78 2.628 -4.458 -10.342 557 H TYR 79 H TYR 79 -0.465 -5.872 -7.176 558 HA TYR 79 HA TYR 79 0.142 -8.363 -5.732 559 1HB TYR 79 2HB TYR 79 -0.421 -5.598 -4.637 560 2HB TYR 79 1HB TYR 79 -0.235 -7.042 -3.646 561 HD1 TYR 79 1HD TYR 79 1.399 -4.330 -3.829 562 HD2 TYR 79 2HD TYR 79 2.030 -8.302 -5.226 563 HE1 TYR 79 1HE TYR 79 3.826 -3.953 -3.766 564 HE2 TYR 79 2HE TYR 79 4.471 -7.937 -5.167 565 HH TYR 79 HH TYR 79 5.912 -5.425 -3.542 566 H LYS 80 H LYS 80 -1.619 -8.500 -3.794 567 HA LYS 80 HA LYS 80 -4.088 -8.896 -5.269 568 1HB LYS 80 2HB LYS 80 -3.524 -9.774 -2.443 569 2HB LYS 80 1HB LYS 80 -4.743 -10.409 -3.543 570 1HG LYS 80 2HG LYS 80 -1.770 -10.790 -3.653 571 2HG LYS 80 1HG LYS 80 -3.026 -12.016 -3.459 572 1HD LYS 80 2HD LYS 80 -3.174 -10.315 -5.854 573 2HD LYS 80 1HD LYS 80 -1.846 -11.476 -5.800 574 1HE LYS 80 2HE LYS 80 -3.779 -12.441 -6.924 575 2HE LYS 80 1HE LYS 80 -3.459 -13.286 -5.413 576 1HZ LYS 80 1HZ LYS 80 -5.263 -12.140 -4.370 577 2HZ LYS 80 2HZ LYS 80 -5.836 -12.813 -5.816 578 3HZ LYS 80 3HZ LYS 80 -5.505 -11.156 -5.733 579 H ILE 81 H ILE 81 -2.733 -6.761 -3.173 580 HA ILE 81 HA ILE 81 -3.434 -4.967 -1.967 581 HB ILE 81 HB ILE 81 -6.093 -5.336 -3.369 582 1HG1 ILE 81 2HG1 ILE 81 -4.306 -5.209 -5.015 583 2HG1 ILE 81 1HG1 ILE 81 -5.226 -3.709 -5.019 584 1HG2 ILE 81 1HG2 ILE 81 -6.366 -2.927 -3.012 585 2HG2 ILE 81 2HG2 ILE 81 -4.843 -2.887 -2.125 586 3HG2 ILE 81 3HG2 ILE 81 -6.212 -3.794 -1.484 587 1HD1 ILE 81 1HD1 ILE 81 -2.550 -4.149 -3.720 588 2HD1 ILE 81 2HD1 ILE 81 -3.473 -2.648 -3.681 589 3HD1 ILE 81 3HD1 ILE 81 -2.860 -3.265 -5.215 590 H SER 82 H SER 82 -4.561 -8.020 -1.557 591 HA SER 82 HA SER 82 -6.244 -7.327 0.755 592 1HB SER 82 2HB SER 82 -6.719 -9.852 0.709 593 2HB SER 82 1HB SER 82 -7.359 -8.891 -0.631 594 HG SER 82 HG SER 82 -5.345 -10.807 -0.601 595 H THR 83 H THR 83 -5.963 -9.008 2.626 596 HA THR 83 HA THR 83 -3.233 -8.761 3.507 597 HB THR 83 HB THR 83 -5.567 -10.107 4.887 598 HG1 THR 83 1HG THR 83 -4.560 -7.434 5.023 599 1HG2 THR 83 1HG2 THR 83 -4.250 -9.638 6.941 600 2HG2 THR 83 2HG2 THR 83 -2.914 -9.101 5.923 601 3HG2 THR 83 3HG2 THR 83 -3.450 -10.780 5.858 602 H SER 84 H SER 84 -5.397 -11.363 2.498 603 HA SER 84 HA SER 84 -3.487 -13.436 3.043 604 1HB SER 84 2HB SER 84 -6.029 -13.493 1.400 605 2HB SER 84 1HB SER 84 -5.107 -14.911 1.920 606 HG SER 84 HG SER 84 -5.543 -14.344 4.073 607 H THR 85 H THR 85 -2.002 -11.806 1.687 608 HA THR 85 HA THR 85 -1.964 -12.643 -1.123 609 HB THR 85 HB THR 85 -0.383 -10.473 0.278 610 HG1 THR 85 1HG THR 85 -2.221 -9.437 0.036 611 1HG2 THR 85 1HG2 THR 85 -0.619 -11.139 -2.658 612 2HG2 THR 85 2HG2 THR 85 0.819 -11.345 -1.658 613 3HG2 THR 85 3HG2 THR 85 0.202 -9.726 -1.993 614 H ASN 86 H ASN 86 0.002 -12.560 1.795 615 HA ASN 86 HA ASN 86 1.899 -13.599 2.448 616 1HB ASN 86 2HB ASN 86 0.646 -15.660 1.934 617 2HB ASN 86 1HB ASN 86 1.234 -15.593 0.270 618 1HD2 ASN 86 1HD2 ASN 86 2.252 -17.608 0.503 619 2HD2 ASN 86 2HD2 ASN 86 3.724 -17.788 1.411 620 H CYS 87 H CYS 87 3.478 -12.184 2.004 621 HA CYS 87 HA CYS 87 4.563 -12.167 -0.738 622 1HB CYS 87 2HB CYS 87 4.785 -9.958 1.305 623 2HB CYS 87 1HB CYS 87 5.183 -9.880 -0.413 624 H ASN 88 H ASN 88 5.240 -13.718 1.863 625 HA ASN 88 HA ASN 88 7.921 -12.851 2.471 626 1HB ASN 88 2HB ASN 88 6.344 -15.296 3.297 627 2HB ASN 88 1HB ASN 88 7.991 -14.978 3.831 628 1HD2 ASN 88 1HD2 ASN 88 5.510 -15.196 5.371 629 2HD2 ASN 88 2HD2 ASN 88 5.356 -13.690 6.236 630 H SER 89 H SER 89 6.568 -14.543 -0.034 631 HA SER 89 HA SER 89 9.216 -15.224 -0.977 632 1HB SER 89 2HB SER 89 7.007 -17.292 -0.843 633 2HB SER 89 1HB SER 89 8.521 -17.485 -1.729 634 HG SER 89 HG SER 89 8.917 -16.713 0.857 635 H ILE 90 H ILE 90 8.862 -13.492 -2.328 636 HA ILE 90 HA ILE 90 7.085 -14.051 -4.608 637 HB ILE 90 HB ILE 90 6.601 -11.645 -4.845 638 1HG1 ILE 90 2HG1 ILE 90 7.842 -11.348 -2.103 639 2HG1 ILE 90 1HG1 ILE 90 8.628 -10.868 -3.611 640 1HG2 ILE 90 1HG2 ILE 90 5.028 -11.439 -2.950 641 2HG2 ILE 90 2HG2 ILE 90 5.795 -12.841 -2.201 642 3HG2 ILE 90 3HG2 ILE 90 4.960 -13.012 -3.745 643 1HD1 ILE 90 1HD1 ILE 90 6.047 -9.741 -2.533 644 2HD1 ILE 90 2HD1 ILE 90 6.859 -9.246 -4.018 645 3HD1 ILE 90 3HD1 ILE 90 7.630 -8.967 -2.457 646 H ASN 91 H ASN 91 9.906 -12.332 -3.362 647 HA ASN 91 HA ASN 91 10.954 -12.207 -6.095 648 1HB ASN 91 2HB ASN 91 10.526 -9.971 -5.141 649 2HB ASN 91 1HB ASN 91 11.579 -10.359 -3.780 650 1HD2 ASN 91 1HD2 ASN 91 12.215 -11.311 -7.097 651 2HD2 ASN 91 2HD2 ASN 91 13.600 -10.298 -7.314 Start of MODEL 13 1 1H MET 1 1HT MET 1 13.749 0.192 3.178 2 2H MET 1 2HT MET 1 14.454 -0.265 4.654 3 3H MET 1 3HT MET 1 13.622 1.210 4.534 4 HA MET 1 HA MET 1 11.548 0.102 4.201 5 1HB MET 1 2HB MET 1 12.124 -1.842 2.990 6 2HB MET 1 1HB MET 1 13.292 -2.355 4.204 7 1HG MET 1 2HG MET 1 11.374 -3.763 4.371 8 2HG MET 1 1HG MET 1 11.418 -2.704 5.788 9 1HE MET 1 1HE MET 1 9.014 -2.986 6.538 10 2HE MET 1 2HE MET 1 8.858 -4.249 5.319 11 3HE MET 1 3HE MET 1 7.626 -2.994 5.450 12 H THR 2 H THR 2 10.353 0.152 5.811 13 HA THR 2 HA THR 2 10.840 -1.426 8.143 14 HB THR 2 HB THR 2 11.909 0.469 9.073 15 HG1 THR 2 1HG THR 2 10.185 1.421 10.475 16 1HG2 THR 2 1HG2 THR 2 9.756 2.223 7.895 17 2HG2 THR 2 2HG2 THR 2 11.398 2.062 7.278 18 3HG2 THR 2 3HG2 THR 2 11.118 2.763 8.872 19 H CYS 3 H CYS 3 8.766 -1.722 9.271 20 HA CYS 3 HA CYS 3 6.497 -1.583 7.611 21 1HB CYS 3 2HB CYS 3 7.030 -3.107 9.673 22 2HB CYS 3 1HB CYS 3 6.310 -1.798 10.603 23 H GLY 4 H GLY 4 8.136 0.868 8.851 24 1HA GLY 4 2HA GLY 4 5.782 2.569 9.376 25 2HA GLY 4 1HA GLY 4 7.453 2.985 9.764 26 H GLN 5 H GLN 5 8.240 1.775 7.115 27 HA GLN 5 HA GLN 5 8.033 4.100 5.463 28 1HB GLN 5 2HB GLN 5 9.955 2.526 5.380 29 2HB GLN 5 1HB GLN 5 8.880 1.269 4.792 30 1HG GLN 5 2HG GLN 5 8.439 2.639 2.786 31 2HG GLN 5 1HG GLN 5 9.626 3.811 3.366 32 1HE2 GLN 5 1HE2 GLN 5 9.133 0.661 1.991 33 2HE2 GLN 5 2HE2 GLN 5 10.795 0.345 1.594 34 H VAL 6 H VAL 6 6.677 0.896 5.581 35 HA VAL 6 HA VAL 6 4.936 1.036 3.366 36 HB VAL 6 HB VAL 6 4.594 -0.601 5.887 37 1HG1 VAL 6 1HG1 VAL 6 3.735 -1.110 3.056 38 2HG1 VAL 6 2HG1 VAL 6 2.691 -0.733 4.427 39 3HG1 VAL 6 3HG1 VAL 6 3.593 -2.250 4.393 40 1HG2 VAL 6 1HG2 VAL 6 6.356 -1.087 3.517 41 2HG2 VAL 6 2HG2 VAL 6 5.881 -2.342 4.655 42 3HG2 VAL 6 3HG2 VAL 6 6.824 -0.958 5.212 43 H GLN 7 H GLN 7 4.565 1.750 6.804 44 HA GLN 7 HA GLN 7 1.798 2.192 6.826 45 1HB GLN 7 2HB GLN 7 3.242 1.897 8.840 46 2HB GLN 7 1HB GLN 7 3.880 3.518 8.571 47 1HG GLN 7 2HG GLN 7 1.621 4.433 8.857 48 2HG GLN 7 1HG GLN 7 1.017 2.808 9.179 49 1HE2 GLN 7 1HE2 GLN 7 0.326 3.310 11.234 50 2HE2 GLN 7 2HE2 GLN 7 1.431 3.599 12.540 51 H GLY 8 H GLY 8 4.477 4.188 5.833 52 1HA GLY 8 2HA GLY 8 3.252 6.712 5.837 53 2HA GLY 8 1HA GLY 8 4.568 6.223 4.780 54 H ASN 9 H ASN 9 2.839 3.995 3.745 55 HA ASN 9 HA ASN 9 1.611 5.342 1.559 56 1HB ASN 9 2HB ASN 9 2.520 3.096 1.310 57 2HB ASN 9 1HB ASN 9 1.433 2.474 2.539 58 1HD2 ASN 9 1HD2 ASN 9 1.857 1.674 -0.226 59 2HD2 ASN 9 2HD2 ASN 9 0.314 1.783 -1.004 60 H LEU 10 H LEU 10 0.184 3.294 4.100 61 HA LEU 10 HA LEU 10 -2.462 4.007 3.435 62 1HB LEU 10 2HB LEU 10 -1.240 2.560 5.755 63 2HB LEU 10 1HB LEU 10 -2.944 2.959 5.752 64 HG LEU 10 HG LEU 10 -2.673 0.686 5.022 65 1HD1 LEU 10 1HD1 LEU 10 -3.328 2.460 2.676 66 2HD1 LEU 10 2HD1 LEU 10 -4.442 1.980 3.956 67 3HD1 LEU 10 3HD1 LEU 10 -3.786 0.765 2.857 68 1HD2 LEU 10 1HD2 LEU 10 -0.373 0.778 4.249 69 2HD2 LEU 10 2HD2 LEU 10 -0.857 1.771 2.873 70 3HD2 LEU 10 3HD2 LEU 10 -1.420 0.103 3.000 71 H ALA 11 H ALA 11 -0.197 5.274 5.803 72 HA ALA 11 HA ALA 11 -1.946 6.575 7.524 73 1HB ALA 11 1HB ALA 11 0.787 7.527 6.689 74 2HB ALA 11 2HB ALA 11 0.452 6.338 7.947 75 3HB ALA 11 3HB ALA 11 -0.088 8.005 8.143 76 H GLN 12 H GLN 12 -0.738 7.625 4.397 77 HA GLN 12 HA GLN 12 -1.874 10.273 4.640 78 1HB GLN 12 2HB GLN 12 -0.812 8.883 2.184 79 2HB GLN 12 1HB GLN 12 -1.050 10.612 2.396 80 1HG GLN 12 2HG GLN 12 0.852 8.993 4.049 81 2HG GLN 12 1HG GLN 12 1.319 9.794 2.552 82 1HE2 GLN 12 1HE2 GLN 12 -0.477 12.070 3.100 83 2HE2 GLN 12 2HE2 GLN 12 0.330 13.008 4.307 84 H CYS 13 H CYS 13 -2.683 7.204 3.264 85 HA CYS 13 HA CYS 13 -4.726 8.270 1.545 86 1HB CYS 13 2HB CYS 13 -3.879 5.438 2.131 87 2HB CYS 13 1HB CYS 13 -5.021 5.920 0.881 88 H ILE 14 H ILE 14 -4.557 7.037 4.728 89 HA ILE 14 HA ILE 14 -6.996 5.831 5.119 90 HB ILE 14 HB ILE 14 -5.308 7.498 6.952 91 1HG1 ILE 14 2HG1 ILE 14 -6.054 4.555 6.887 92 2HG1 ILE 14 1HG1 ILE 14 -4.530 5.258 6.334 93 1HG2 ILE 14 1HG2 ILE 14 -7.562 7.907 7.729 94 2HG2 ILE 14 2HG2 ILE 14 -6.735 6.814 8.842 95 3HG2 ILE 14 3HG2 ILE 14 -7.917 6.178 7.695 96 1HD1 ILE 14 1HD1 ILE 14 -4.272 4.229 8.508 97 2HD1 ILE 14 2HD1 ILE 14 -5.550 5.252 9.164 98 3HD1 ILE 14 3HD1 ILE 14 -4.036 5.974 8.620 99 H GLY 15 H GLY 15 -6.383 9.291 4.750 100 1HA GLY 15 2HA GLY 15 -8.844 10.317 5.593 101 2HA GLY 15 1HA GLY 15 -7.881 10.983 4.292 102 H PHE 16 H PHE 16 -8.010 9.715 2.206 103 HA PHE 16 HA PHE 16 -10.656 9.704 1.260 104 1HB PHE 16 2HB PHE 16 -9.027 10.089 -0.362 105 2HB PHE 16 1HB PHE 16 -8.016 8.761 0.204 106 HD1 PHE 16 1HD PHE 16 -11.218 9.512 -1.526 107 HD2 PHE 16 2HD PHE 16 -8.121 6.672 -0.845 108 HE1 PHE 16 1HE PHE 16 -12.168 8.061 -3.270 109 HE2 PHE 16 2HE PHE 16 -9.068 5.217 -2.585 110 HZ PHE 16 HZ PHE 16 -11.095 5.909 -3.799 111 H LEU 17 H LEU 17 -8.525 7.178 2.379 112 HA LEU 17 HA LEU 17 -10.020 4.924 1.660 113 1HB LEU 17 2HB LEU 17 -7.865 5.593 3.573 114 2HB LEU 17 1HB LEU 17 -8.776 4.134 3.937 115 HG LEU 17 HG LEU 17 -6.631 3.847 2.622 116 1HD1 LEU 17 1HD1 LEU 17 -7.560 2.142 1.176 117 2HD1 LEU 17 2HD1 LEU 17 -9.170 2.825 1.397 118 3HD1 LEU 17 3HD1 LEU 17 -8.318 2.117 2.768 119 1HD2 LEU 17 1HD2 LEU 17 -6.834 5.712 1.101 120 2HD2 LEU 17 2HD2 LEU 17 -8.319 5.037 0.431 121 3HD2 LEU 17 3HD2 LEU 17 -6.785 4.198 0.193 122 H GLN 18 H GLN 18 -10.455 7.211 4.267 123 HA GLN 18 HA GLN 18 -12.580 5.551 5.426 124 1HB GLN 18 2HB GLN 18 -11.154 8.023 6.366 125 2HB GLN 18 1HB GLN 18 -12.669 7.511 7.097 126 1HG GLN 18 2HG GLN 18 -11.612 5.319 7.532 127 2HG GLN 18 1HG GLN 18 -10.079 6.004 7.004 128 1HE2 GLN 18 1HE2 GLN 18 -10.697 8.625 8.145 129 2HE2 GLN 18 2HE2 GLN 18 -10.496 8.459 9.853 130 H LYS 19 H LYS 19 -12.108 8.954 4.617 131 HA LYS 19 HA LYS 19 -14.814 9.667 4.719 132 1HB LYS 19 2HB LYS 19 -12.428 10.923 3.412 133 2HB LYS 19 1HB LYS 19 -14.027 11.606 3.168 134 1HG LYS 19 2HG LYS 19 -12.939 12.784 4.943 135 2HG LYS 19 1HG LYS 19 -14.265 11.838 5.616 136 1HD LYS 19 2HD LYS 19 -12.682 10.130 6.348 137 2HD LYS 19 1HD LYS 19 -11.350 11.054 5.653 138 1HE LYS 19 2HE LYS 19 -13.173 11.995 7.864 139 2HE LYS 19 1HE LYS 19 -11.538 11.377 8.084 140 1HZ LYS 19 1HZ LYS 19 -12.290 13.822 6.570 141 2HZ LYS 19 2HZ LYS 19 -10.713 13.224 6.735 142 3HZ LYS 19 3HZ LYS 19 -11.559 13.779 8.097 143 H GLY 20 H GLY 20 -12.888 8.584 1.956 144 1HA GLY 20 2HA GLY 20 -13.623 7.572 0.011 145 2HA GLY 20 1HA GLY 20 -15.274 7.716 0.608 146 H GLY 21 H GLY 21 -12.628 9.769 -0.608 147 1HA GLY 21 2HA GLY 21 -14.047 10.823 -2.757 148 2HA GLY 21 1HA GLY 21 -14.300 11.902 -1.386 149 H VAL 22 H VAL 22 -12.771 11.986 -4.007 150 HA VAL 22 HA VAL 22 -10.816 12.685 -4.892 151 HB VAL 22 HB VAL 22 -11.782 14.773 -4.210 152 1HG1 VAL 22 1HG1 VAL 22 -12.041 14.442 -1.829 153 2HG1 VAL 22 2HG1 VAL 22 -11.133 15.922 -2.144 154 3HG1 VAL 22 3HG1 VAL 22 -10.291 14.466 -1.612 155 1HG2 VAL 22 1HG2 VAL 22 -9.754 16.148 -4.130 156 2HG2 VAL 22 2HG2 VAL 22 -9.624 14.838 -5.303 157 3HG2 VAL 22 3HG2 VAL 22 -8.806 14.711 -3.746 158 H VAL 23 H VAL 23 -9.220 11.291 -4.920 159 HA VAL 23 HA VAL 23 -7.687 10.572 -2.626 160 HB VAL 23 HB VAL 23 -7.008 10.195 -5.546 161 1HG1 VAL 23 1HG1 VAL 23 -5.508 8.411 -4.707 162 2HG1 VAL 23 2HG1 VAL 23 -5.848 8.936 -3.057 163 3HG1 VAL 23 3HG1 VAL 23 -5.020 10.021 -4.174 164 1HG2 VAL 23 1HG2 VAL 23 -8.342 8.371 -3.556 165 2HG2 VAL 23 2HG2 VAL 23 -7.821 7.897 -5.174 166 3HG2 VAL 23 3HG2 VAL 23 -9.088 9.107 -4.974 167 HA PRO 24 HA PRO 24 -5.173 14.226 -2.701 168 1HB PRO 24 2HB PRO 24 -3.666 13.024 -0.523 169 2HB PRO 24 1HB PRO 24 -4.765 14.403 -0.481 170 1HG PRO 24 2HG PRO 24 -5.346 12.029 0.701 171 2HG PRO 24 1HG PRO 24 -6.592 13.096 0.022 172 1HD PRO 24 2HD PRO 24 -5.344 10.653 -1.180 173 2HD PRO 24 1HD PRO 24 -7.052 11.146 -1.132 174 HA PRO 25 HA PRO 25 -1.575 12.827 -4.973 175 1HB PRO 25 2HB PRO 25 -0.572 15.562 -4.602 176 2HB PRO 25 1HB PRO 25 -1.016 14.723 -6.091 177 1HG PRO 25 2HG PRO 25 -2.500 16.738 -5.090 178 2HG PRO 25 1HG PRO 25 -3.225 15.369 -5.954 179 1HD PRO 25 2HD PRO 25 -3.050 15.869 -3.002 180 2HD PRO 25 1HD PRO 25 -4.418 15.262 -3.961 181 H SER 26 H SER 26 -1.800 13.327 -1.845 182 HA SER 26 HA SER 26 1.059 13.313 -1.202 183 1HB SER 26 2HB SER 26 -1.310 13.309 0.681 184 2HB SER 26 1HB SER 26 0.364 13.737 1.066 185 HG SER 26 HG SER 26 0.108 15.528 -0.411 186 H CYS 27 H CYS 27 -1.950 11.648 -0.524 187 HA CYS 27 HA CYS 27 -1.082 9.245 0.519 188 1HB CYS 27 2HB CYS 27 -3.362 9.526 0.579 189 2HB CYS 27 1HB CYS 27 -3.429 10.189 -1.050 190 H CYS 28 H CYS 28 -1.643 10.094 -2.898 191 HA CYS 28 HA CYS 28 -0.902 7.673 -4.018 192 1HB CYS 28 2HB CYS 28 -0.928 10.478 -5.055 193 2HB CYS 28 1HB CYS 28 -0.271 9.176 -6.051 194 H THR 29 H THR 29 1.093 10.292 -2.884 195 HA THR 29 HA THR 29 3.486 9.575 -4.167 196 HB THR 29 HB THR 29 3.081 11.019 -1.538 197 HG1 THR 29 1HG THR 29 3.381 11.975 -4.217 198 1HG2 THR 29 1HG2 THR 29 5.368 10.218 -1.743 199 2HG2 THR 29 2HG2 THR 29 5.312 11.970 -1.946 200 3HG2 THR 29 3HG2 THR 29 5.491 10.922 -3.356 201 H GLY 30 H GLY 30 2.115 8.652 -1.024 202 1HA GLY 30 2HA GLY 30 4.425 7.209 -0.159 203 2HA GLY 30 1HA GLY 30 2.818 7.122 0.553 204 H VAL 31 H VAL 31 1.422 6.298 -1.781 205 HA VAL 31 HA VAL 31 1.838 3.502 -1.701 206 HB VAL 31 HB VAL 31 0.415 4.970 -3.924 207 1HG1 VAL 31 1HG1 VAL 31 0.727 2.585 -4.267 208 2HG1 VAL 31 2HG1 VAL 31 -0.976 2.963 -4.004 209 3HG1 VAL 31 3HG1 VAL 31 -0.017 2.251 -2.704 210 1HG2 VAL 31 1HG2 VAL 31 -0.397 5.866 -1.816 211 2HG2 VAL 31 2HG2 VAL 31 -0.693 4.232 -1.220 212 3HG2 VAL 31 3HG2 VAL 31 -1.626 4.858 -2.581 213 H LYS 32 H LYS 32 2.619 5.953 -4.148 214 HA LYS 32 HA LYS 32 3.831 4.165 -5.972 215 1HB LYS 32 2HB LYS 32 3.040 6.461 -6.541 216 2HB LYS 32 1HB LYS 32 4.386 7.117 -5.618 217 1HG LYS 32 2HG LYS 32 5.967 6.102 -7.140 218 2HG LYS 32 1HG LYS 32 4.652 5.342 -8.034 219 1HD LYS 32 2HD LYS 32 5.051 8.316 -7.721 220 2HD LYS 32 1HD LYS 32 5.504 7.374 -9.144 221 1HE LYS 32 2HE LYS 32 3.161 6.735 -9.462 222 2HE LYS 32 1HE LYS 32 2.712 7.674 -8.038 223 1HZ LYS 32 1HZ LYS 32 2.276 8.942 -10.020 224 2HZ LYS 32 2HZ LYS 32 3.875 8.740 -10.556 225 3HZ LYS 32 3HZ LYS 32 3.559 9.664 -9.175 226 H ASN 33 H ASN 33 4.948 5.748 -3.093 227 HA ASN 33 HA ASN 33 7.730 5.326 -3.485 228 1HB ASN 33 2HB ASN 33 6.681 6.892 -1.778 229 2HB ASN 33 1HB ASN 33 6.244 5.463 -0.838 230 1HD2 ASN 33 1HD2 ASN 33 7.994 7.748 -0.221 231 2HD2 ASN 33 2HD2 ASN 33 9.518 7.061 0.217 232 H ILE 34 H ILE 34 5.317 3.584 -1.537 233 HA ILE 34 HA ILE 34 6.955 1.452 -0.839 234 HB ILE 34 HB ILE 34 3.980 1.782 -1.021 235 1HG1 ILE 34 2HG1 ILE 34 4.833 3.043 0.737 236 2HG1 ILE 34 1HG1 ILE 34 4.338 1.548 1.526 237 1HG2 ILE 34 1HG2 ILE 34 3.684 -0.290 0.231 238 2HG2 ILE 34 2HG2 ILE 34 5.404 -0.644 0.040 239 3HG2 ILE 34 3HG2 ILE 34 4.354 -0.579 -1.378 240 1HD1 ILE 34 1HD1 ILE 34 6.894 2.786 1.477 241 2HD1 ILE 34 2HD1 ILE 34 7.021 1.210 0.699 242 3HD1 ILE 34 3HD1 ILE 34 6.382 1.338 2.341 243 H LEU 35 H LEU 35 5.166 2.035 -3.726 244 HA LEU 35 HA LEU 35 5.511 -0.657 -4.703 245 1HB LEU 35 2HB LEU 35 4.175 1.821 -5.610 246 2HB LEU 35 1HB LEU 35 4.702 0.715 -6.861 247 HG LEU 35 HG LEU 35 3.262 -0.972 -6.156 248 1HD1 LEU 35 1HD1 LEU 35 1.989 -0.910 -4.041 249 2HD1 LEU 35 2HD1 LEU 35 2.884 0.538 -3.578 250 3HD1 LEU 35 3HD1 LEU 35 3.733 -0.995 -3.789 251 1HD2 LEU 35 1HD2 LEU 35 2.074 0.845 -7.230 252 2HD2 LEU 35 2HD2 LEU 35 1.807 1.606 -5.662 253 3HD2 LEU 35 3HD2 LEU 35 1.058 0.052 -6.028 254 H ASN 36 H ASN 36 6.421 2.468 -6.098 255 HA ASN 36 HA ASN 36 8.347 1.181 -7.807 256 1HB ASN 36 2HB ASN 36 7.465 4.039 -7.471 257 2HB ASN 36 1HB ASN 36 8.750 3.573 -8.580 258 1HD2 ASN 36 1HD2 ASN 36 8.250 2.391 -10.416 259 2HD2 ASN 36 2HD2 ASN 36 6.631 2.244 -11.005 260 H SER 37 H SER 37 8.498 2.903 -4.785 261 HA SER 37 HA SER 37 11.360 3.391 -5.190 262 1HB SER 37 2HB SER 37 9.483 4.518 -3.107 263 2HB SER 37 1HB SER 37 11.197 4.924 -3.272 264 HG SER 37 HG SER 37 9.398 5.221 -5.427 265 H SER 38 H SER 38 9.735 0.858 -4.137 266 HA SER 38 HA SER 38 10.972 0.193 -1.694 267 1HB SER 38 2HB SER 38 10.747 -2.206 -2.587 268 2HB SER 38 1HB SER 38 9.263 -1.270 -2.421 269 HG SER 38 HG SER 38 9.045 -1.202 -4.554 270 H ARG 39 H ARG 39 13.092 0.409 -1.377 271 HA ARG 39 HA ARG 39 14.921 1.024 -3.350 272 1HB ARG 39 2HB ARG 39 15.265 1.623 -1.030 273 2HB ARG 39 1HB ARG 39 15.427 -0.074 -0.583 274 1HG ARG 39 2HG ARG 39 17.442 -0.183 -2.064 275 2HG ARG 39 1HG ARG 39 17.319 1.567 -2.254 276 1HD ARG 39 2HD ARG 39 17.586 0.142 0.387 277 2HD ARG 39 1HD ARG 39 18.926 0.867 -0.500 278 HE ARG 39 HE ARG 39 17.834 3.029 -0.185 279 1HH1 ARG 39 1HH1 ARG 39 16.726 0.379 1.815 280 2HH1 ARG 39 2HH1 ARG 39 16.208 1.402 3.118 281 1HH2 ARG 39 1HH2 ARG 39 17.120 4.388 1.513 282 2HH2 ARG 39 2HH2 ARG 39 16.409 3.687 2.934 283 H THR 40 H THR 40 14.735 -2.059 -1.586 284 HA THR 40 HA THR 40 16.317 -3.289 -3.737 285 HB THR 40 HB THR 40 17.521 -4.612 -1.994 286 HG1 THR 40 1HG THR 40 17.375 -3.934 0.162 287 1HG2 THR 40 1HG2 THR 40 18.596 -2.657 -2.970 288 2HG2 THR 40 2HG2 THR 40 19.021 -2.804 -1.264 289 3HG2 THR 40 3HG2 THR 40 17.820 -1.617 -1.776 290 H THR 41 H THR 41 16.412 -5.837 -2.978 291 HA THR 41 HA THR 41 13.792 -6.811 -3.317 292 HB THR 41 HB THR 41 16.138 -8.354 -2.221 293 HG1 THR 41 1HG THR 41 17.043 -8.033 -4.098 294 1HG2 THR 41 1HG2 THR 41 13.942 -9.496 -2.146 295 2HG2 THR 41 2HG2 THR 41 15.068 -10.281 -3.258 296 3HG2 THR 41 3HG2 THR 41 13.780 -9.253 -3.888 297 H ALA 42 H ALA 42 15.942 -6.668 -0.495 298 HA ALA 42 HA ALA 42 14.151 -7.831 1.344 299 1HB ALA 42 1HB ALA 42 16.331 -5.813 1.883 300 2HB ALA 42 2HB ALA 42 16.554 -7.561 1.777 301 3HB ALA 42 3HB ALA 42 15.571 -6.874 3.070 302 H ASP 43 H ASP 43 14.320 -4.702 -0.081 303 HA ASP 43 HA ASP 43 12.768 -3.348 1.932 304 1HB ASP 43 2HB ASP 43 14.475 -2.433 0.122 305 2HB ASP 43 1HB ASP 43 13.033 -2.344 -0.875 306 H ARG 44 H ARG 44 12.227 -4.893 -1.177 307 HA ARG 44 HA ARG 44 9.433 -4.118 -1.233 308 1HB ARG 44 2HB ARG 44 10.785 -4.140 -3.293 309 2HB ARG 44 1HB ARG 44 11.006 -5.879 -3.118 310 1HG ARG 44 2HG ARG 44 8.701 -6.295 -3.525 311 2HG ARG 44 1HG ARG 44 8.307 -4.579 -3.410 312 1HD ARG 44 2HD ARG 44 8.363 -5.339 -5.740 313 2HD ARG 44 1HD ARG 44 9.597 -4.122 -5.419 314 HE ARG 44 HE ARG 44 10.046 -6.987 -5.901 315 1HH1 ARG 44 1HH1 ARG 44 11.295 -3.754 -5.429 316 2HH1 ARG 44 2HH1 ARG 44 12.916 -4.158 -5.904 317 1HH2 ARG 44 1HH2 ARG 44 12.187 -7.528 -6.563 318 2HH2 ARG 44 2HH2 ARG 44 13.427 -6.309 -6.535 319 H ARG 45 H ARG 45 11.346 -6.933 -0.436 320 HA ARG 45 HA ARG 45 9.184 -8.791 -0.416 321 1HB ARG 45 2HB ARG 45 11.868 -9.062 -0.239 322 2HB ARG 45 1HB ARG 45 11.450 -9.189 1.464 323 1HG ARG 45 2HG ARG 45 9.824 -10.980 0.845 324 2HG ARG 45 1HG ARG 45 10.490 -10.923 -0.790 325 1HD ARG 45 2HD ARG 45 11.577 -12.701 0.370 326 2HD ARG 45 1HD ARG 45 12.735 -11.386 0.189 327 HE ARG 45 HE ARG 45 11.818 -10.858 2.616 328 1HH1 ARG 45 1HH1 ARG 45 12.700 -13.944 1.207 329 2HH1 ARG 45 2HH1 ARG 45 13.196 -14.642 2.718 330 1HH2 ARG 45 1HH2 ARG 45 12.469 -11.763 4.599 331 2HH2 ARG 45 2HH2 ARG 45 13.070 -13.392 4.654 332 H ALA 46 H ALA 46 10.860 -7.021 2.161 333 HA ALA 46 HA ALA 46 9.099 -7.835 4.217 334 1HB ALA 46 1HB ALA 46 11.377 -7.046 4.642 335 2HB ALA 46 2HB ALA 46 10.186 -6.136 5.570 336 3HB ALA 46 3HB ALA 46 10.907 -5.427 4.125 337 H VAL 47 H VAL 47 9.065 -5.131 1.963 338 HA VAL 47 HA VAL 47 7.188 -3.536 3.336 339 HB VAL 47 HB VAL 47 8.598 -2.851 1.294 340 1HG1 VAL 47 1HG1 VAL 47 6.245 -4.020 -0.179 341 2HG1 VAL 47 2HG1 VAL 47 7.903 -4.615 -0.234 342 3HG1 VAL 47 3HG1 VAL 47 7.516 -3.020 -0.880 343 1HG2 VAL 47 1HG2 VAL 47 7.010 -1.371 2.336 344 2HG2 VAL 47 2HG2 VAL 47 5.689 -2.107 1.425 345 3HG2 VAL 47 3HG2 VAL 47 6.943 -1.194 0.583 346 H CYS 48 H CYS 48 6.816 -6.297 1.193 347 HA CYS 48 HA CYS 48 3.979 -6.031 0.989 348 1HB CYS 48 2HB CYS 48 5.294 -7.262 -0.702 349 2HB CYS 48 1HB CYS 48 5.734 -8.458 0.518 350 H SER 49 H SER 49 6.206 -7.918 2.989 351 HA SER 49 HA SER 49 4.318 -9.388 4.438 352 1HB SER 49 2HB SER 49 6.974 -8.336 5.439 353 2HB SER 49 1HB SER 49 6.083 -9.715 6.083 354 HG SER 49 HG SER 49 7.420 -10.696 4.721 355 H CYS 50 H CYS 50 5.421 -6.078 4.826 356 HA CYS 50 HA CYS 50 3.855 -5.708 7.245 357 1HB CYS 50 2HB CYS 50 5.916 -4.464 7.095 358 2HB CYS 50 1HB CYS 50 5.452 -3.797 5.536 359 H LEU 51 H LEU 51 3.656 -5.031 3.815 360 HA LEU 51 HA LEU 51 1.585 -3.222 3.685 361 1HB LEU 51 2HB LEU 51 2.847 -3.873 1.729 362 2HB LEU 51 1HB LEU 51 2.243 -5.516 1.836 363 HG LEU 51 HG LEU 51 -0.055 -4.615 1.380 364 1HD1 LEU 51 1HD1 LEU 51 -0.224 -2.397 0.369 365 2HD1 LEU 51 2HD1 LEU 51 1.472 -2.099 0.744 366 3HD1 LEU 51 3HD1 LEU 51 0.305 -2.309 2.050 367 1HD2 LEU 51 1HD2 LEU 51 2.071 -4.147 -0.703 368 2HD2 LEU 51 2HD2 LEU 51 0.344 -4.314 -1.022 369 3HD2 LEU 51 3HD2 LEU 51 1.256 -5.672 -0.361 370 H LYS 52 H LYS 52 1.414 -6.757 3.847 371 HA LYS 52 HA LYS 52 -1.338 -7.069 3.548 372 1HB LYS 52 2HB LYS 52 -1.053 -9.262 4.575 373 2HB LYS 52 1HB LYS 52 0.273 -8.935 3.468 374 1HG LYS 52 2HG LYS 52 1.749 -8.434 5.290 375 2HG LYS 52 1HG LYS 52 0.426 -8.558 6.448 376 1HD LYS 52 2HD LYS 52 1.781 -10.565 6.499 377 2HD LYS 52 1HD LYS 52 0.171 -10.932 5.878 378 1HE LYS 52 2HE LYS 52 1.004 -10.966 3.614 379 2HE LYS 52 1HE LYS 52 2.598 -10.438 4.157 380 1HZ LYS 52 1HZ LYS 52 2.511 -12.829 3.751 381 2HZ LYS 52 2HZ LYS 52 1.290 -12.993 4.916 382 3HZ LYS 52 3HZ LYS 52 2.843 -12.488 5.379 383 H ALA 53 H ALA 53 0.561 -6.311 6.423 384 HA ALA 53 HA ALA 53 -1.763 -6.536 8.142 385 1HB ALA 53 1HB ALA 53 1.049 -5.668 8.788 386 2HB ALA 53 2HB ALA 53 0.368 -7.279 9.029 387 3HB ALA 53 3HB ALA 53 -0.249 -5.909 9.957 388 H ALA 54 H ALA 54 -0.122 -4.128 6.330 389 HA ALA 54 HA ALA 54 -1.164 -1.885 7.794 390 1HB ALA 54 1HB ALA 54 -0.038 -1.992 4.995 391 2HB ALA 54 2HB ALA 54 0.905 -1.727 6.462 392 3HB ALA 54 3HB ALA 54 -0.302 -0.540 5.962 393 H ALA 55 H ALA 55 -1.956 -3.572 4.781 394 HA ALA 55 HA ALA 55 -4.341 -2.098 4.275 395 1HB ALA 55 1HB ALA 55 -4.855 -3.888 2.673 396 2HB ALA 55 2HB ALA 55 -3.520 -4.842 3.315 397 3HB ALA 55 3HB ALA 55 -3.198 -3.316 2.496 398 H GLY 56 H GLY 56 -3.522 -4.949 6.117 399 1HA GLY 56 2HA GLY 56 -6.253 -5.618 6.742 400 2HA GLY 56 1HA GLY 56 -4.809 -6.319 7.461 401 H ALA 57 H ALA 57 -4.249 -3.149 7.738 402 HA ALA 57 HA ALA 57 -5.008 -3.162 10.535 403 1HB ALA 57 1HB ALA 57 -3.670 -1.131 10.712 404 2HB ALA 57 2HB ALA 57 -3.467 -1.104 8.960 405 3HB ALA 57 3HB ALA 57 -2.771 -2.417 9.909 406 H VAL 58 H VAL 58 -6.665 -2.464 7.870 407 HA VAL 58 HA VAL 58 -7.665 0.149 8.328 408 HB VAL 58 HB VAL 58 -9.453 -0.477 6.708 409 1HG1 VAL 58 1HG1 VAL 58 -7.293 0.487 6.038 410 2HG1 VAL 58 2HG1 VAL 58 -7.937 -0.611 4.813 411 3HG1 VAL 58 3HG1 VAL 58 -6.631 -1.141 5.872 412 1HG2 VAL 58 1HG2 VAL 58 -7.998 -3.127 6.624 413 2HG2 VAL 58 2HG2 VAL 58 -9.273 -2.617 5.519 414 3HG2 VAL 58 3HG2 VAL 58 -9.634 -2.866 7.228 415 H ARG 59 H ARG 59 -8.186 0.171 10.528 416 HA ARG 59 HA ARG 59 -10.695 -1.181 11.239 417 1HB ARG 59 2HB ARG 59 -8.645 0.259 12.933 418 2HB ARG 59 1HB ARG 59 -10.174 -0.349 13.555 419 1HG ARG 59 2HG ARG 59 -7.946 -1.989 12.363 420 2HG ARG 59 1HG ARG 59 -8.387 -1.888 14.069 421 1HD ARG 59 2HD ARG 59 -10.023 -3.050 11.820 422 2HD ARG 59 1HD ARG 59 -9.297 -3.914 13.175 423 HE ARG 59 HE ARG 59 -10.896 -2.221 14.467 424 1HH1 ARG 59 1HH1 ARG 59 -11.489 -4.298 11.710 425 2HH1 ARG 59 2HH1 ARG 59 -13.189 -4.450 12.015 426 1HH2 ARG 59 1HH2 ARG 59 -13.138 -2.411 14.882 427 2HH2 ARG 59 2HH2 ARG 59 -14.131 -3.382 13.832 428 H GLY 60 H GLY 60 -12.353 -0.018 10.501 429 1HA GLY 60 2HA GLY 60 -13.821 1.826 10.534 430 2HA GLY 60 1HA GLY 60 -12.520 2.828 11.187 431 H ILE 61 H ILE 61 -10.905 1.340 8.969 432 HA ILE 61 HA ILE 61 -11.379 3.348 6.911 433 HB ILE 61 HB ILE 61 -9.098 1.417 7.359 434 1HG1 ILE 61 2HG1 ILE 61 -7.776 3.568 7.378 435 2HG1 ILE 61 1HG1 ILE 61 -9.309 4.428 7.372 436 1HG2 ILE 61 1HG2 ILE 61 -8.024 2.401 5.365 437 2HG2 ILE 61 2HG2 ILE 61 -9.532 3.241 5.000 438 3HG2 ILE 61 3HG2 ILE 61 -9.477 1.475 4.979 439 1HD1 ILE 61 1HD1 ILE 61 -9.898 3.332 9.486 440 2HD1 ILE 61 2HD1 ILE 61 -8.437 4.316 9.602 441 3HD1 ILE 61 3HD1 ILE 61 -8.311 2.559 9.502 442 H ASN 62 H ASN 62 -11.940 2.836 4.848 443 HA ASN 62 HA ASN 62 -13.176 0.211 4.515 444 1HB ASN 62 2HB ASN 62 -13.490 2.836 3.092 445 2HB ASN 62 1HB ASN 62 -14.064 1.336 2.357 446 1HD2 ASN 62 1HD2 ASN 62 -16.196 1.865 2.440 447 2HD2 ASN 62 2HD2 ASN 62 -17.096 1.976 3.920 448 HA PRO 63 HA PRO 63 -9.598 -0.911 2.193 449 1HB PRO 63 2HB PRO 63 -10.555 -3.529 1.757 450 2HB PRO 63 1HB PRO 63 -9.484 -2.981 3.051 451 1HG PRO 63 2HG PRO 63 -12.161 -3.877 3.295 452 2HG PRO 63 1HG PRO 63 -11.136 -3.190 4.562 453 1HD PRO 63 2HD PRO 63 -13.320 -1.954 3.034 454 2HD PRO 63 1HD PRO 63 -12.624 -1.482 4.594 455 H ASN 64 H ASN 64 -12.837 -0.993 1.033 456 HA ASN 64 HA ASN 64 -12.329 -1.808 -1.627 457 1HB ASN 64 2HB ASN 64 -14.460 -0.767 -2.192 458 2HB ASN 64 1HB ASN 64 -14.610 -1.650 -0.678 459 1HD2 ASN 64 1HD2 ASN 64 -14.660 1.446 -2.202 460 2HD2 ASN 64 2HD2 ASN 64 -15.197 2.349 -0.822 461 H ASN 65 H ASN 65 -11.852 1.166 0.094 462 HA ASN 65 HA ASN 65 -11.353 2.792 -2.212 463 1HB ASN 65 2HB ASN 65 -10.701 3.202 0.703 464 2HB ASN 65 1HB ASN 65 -10.483 4.414 -0.549 465 1HD2 ASN 65 1HD2 ASN 65 -12.214 4.301 1.877 466 2HD2 ASN 65 2HD2 ASN 65 -13.808 4.647 1.297 467 H ALA 66 H ALA 66 -9.577 0.533 -0.348 468 HA ALA 66 HA ALA 66 -6.964 1.543 -0.956 469 1HB ALA 66 1HB ALA 66 -7.789 -1.197 -0.001 470 2HB ALA 66 2HB ALA 66 -7.363 0.172 1.028 471 3HB ALA 66 3HB ALA 66 -6.146 -0.557 -0.022 472 H GLU 67 H GLU 67 -9.198 -0.703 -2.426 473 HA GLU 67 HA GLU 67 -7.373 -1.618 -4.454 474 1HB GLU 67 2HB GLU 67 -10.378 -1.714 -4.149 475 2HB GLU 67 1HB GLU 67 -9.550 -2.366 -5.556 476 1HG GLU 67 2HG GLU 67 -8.997 -3.207 -2.741 477 2HG GLU 67 1HG GLU 67 -10.125 -4.038 -3.819 478 H ALA 68 H ALA 68 -9.685 0.919 -4.030 479 HA ALA 68 HA ALA 68 -9.747 1.783 -6.766 480 1HB ALA 68 1HB ALA 68 -11.091 3.632 -5.850 481 2HB ALA 68 2HB ALA 68 -10.706 3.085 -4.212 482 3HB ALA 68 3HB ALA 68 -11.658 2.058 -5.286 483 H LEU 69 H LEU 69 -7.459 1.957 -4.438 484 HA LEU 69 HA LEU 69 -6.671 4.702 -4.699 485 1HB LEU 69 2HB LEU 69 -6.434 3.480 -2.596 486 2HB LEU 69 1HB LEU 69 -5.307 2.374 -3.359 487 HG LEU 69 HG LEU 69 -3.696 4.162 -3.657 488 1HD1 LEU 69 1HD1 LEU 69 -5.287 5.987 -4.011 489 2HD1 LEU 69 2HD1 LEU 69 -4.110 6.387 -2.761 490 3HD1 LEU 69 3HD1 LEU 69 -5.748 5.915 -2.310 491 1HD2 LEU 69 1HD2 LEU 69 -4.820 4.016 -0.864 492 2HD2 LEU 69 2HD2 LEU 69 -3.207 4.588 -1.288 493 3HD2 LEU 69 3HD2 LEU 69 -3.652 2.907 -1.580 494 HA PRO 70 HA PRO 70 -2.780 2.738 -6.907 495 1HB PRO 70 2HB PRO 70 -3.291 0.320 -8.133 496 2HB PRO 70 1HB PRO 70 -2.470 0.504 -6.580 497 1HG PRO 70 2HG PRO 70 -5.336 -0.140 -7.145 498 2HG PRO 70 1HG PRO 70 -4.253 -0.832 -5.922 499 1HD PRO 70 2HD PRO 70 -6.081 1.000 -5.270 500 2HD PRO 70 1HD PRO 70 -4.474 1.000 -4.515 501 H GLY 71 H GLY 71 -6.052 2.213 -7.962 502 1HA GLY 71 2HA GLY 71 -5.673 2.376 -10.747 503 2HA GLY 71 1HA GLY 71 -7.168 2.726 -9.887 504 H LYS 72 H LYS 72 -6.095 4.870 -8.287 505 HA LYS 72 HA LYS 72 -6.315 6.979 -10.233 506 1HB LYS 72 2HB LYS 72 -5.794 7.251 -7.276 507 2HB LYS 72 1HB LYS 72 -6.446 8.468 -8.365 508 1HG LYS 72 2HG LYS 72 -7.794 5.931 -7.483 509 2HG LYS 72 1HG LYS 72 -8.216 7.581 -7.026 510 1HD LYS 72 2HD LYS 72 -8.359 6.404 -9.798 511 2HD LYS 72 1HD LYS 72 -9.728 6.750 -8.734 512 1HE LYS 72 2HE LYS 72 -7.799 8.755 -9.898 513 2HE LYS 72 1HE LYS 72 -9.468 8.501 -10.409 514 1HZ LYS 72 1HZ LYS 72 -9.480 10.369 -9.006 515 2HZ LYS 72 2HZ LYS 72 -8.497 9.622 -7.849 516 3HZ LYS 72 3HZ LYS 72 -10.095 9.101 -8.053 517 H CYS 73 H CYS 73 -3.828 5.796 -8.010 518 HA CYS 73 HA CYS 73 -2.054 7.975 -8.610 519 1HB CYS 73 2HB CYS 73 -1.379 5.427 -7.136 520 2HB CYS 73 1HB CYS 73 -0.571 6.992 -7.007 521 H GLY 74 H GLY 74 -2.903 5.442 -10.436 522 1HA GLY 74 2HA GLY 74 -2.049 4.646 -12.410 523 2HA GLY 74 1HA GLY 74 -0.782 5.861 -12.263 524 H VAL 75 H VAL 75 -1.462 3.278 -9.964 525 HA VAL 75 HA VAL 75 1.042 1.980 -10.769 526 HB VAL 75 HB VAL 75 1.483 1.630 -8.252 527 1HG1 VAL 75 1HG1 VAL 75 2.931 2.963 -9.655 528 2HG1 VAL 75 2HG1 VAL 75 2.706 3.765 -8.101 529 3HG1 VAL 75 3HG1 VAL 75 1.840 4.342 -9.526 530 1HG2 VAL 75 1HG2 VAL 75 -0.299 4.064 -8.109 531 2HG2 VAL 75 2HG2 VAL 75 0.681 3.418 -6.789 532 3HG2 VAL 75 3HG2 VAL 75 -0.660 2.474 -7.439 533 H ASN 76 H ASN 76 -0.645 0.580 -11.735 534 HA ASN 76 HA ASN 76 -2.019 -1.147 -9.849 535 1HB ASN 76 2HB ASN 76 -2.876 -2.252 -12.001 536 2HB ASN 76 1HB ASN 76 -3.416 -0.610 -11.663 537 1HD2 ASN 76 1HD2 ASN 76 -1.613 -2.650 -13.766 538 2HD2 ASN 76 2HD2 ASN 76 -1.263 -1.459 -14.969 539 H ILE 77 H ILE 77 -0.404 -2.242 -8.871 540 HA ILE 77 HA ILE 77 1.607 -3.672 -10.312 541 HB ILE 77 HB ILE 77 2.316 -4.594 -8.208 542 1HG1 ILE 77 2HG1 ILE 77 0.024 -5.020 -7.267 543 2HG1 ILE 77 1HG1 ILE 77 1.166 -4.336 -6.123 544 1HG2 ILE 77 1HG2 ILE 77 3.023 -2.352 -8.696 545 2HG2 ILE 77 2HG2 ILE 77 2.750 -2.520 -6.961 546 3HG2 ILE 77 3HG2 ILE 77 1.559 -1.694 -7.966 547 1HD1 ILE 77 1HD1 ILE 77 -0.881 -3.259 -5.737 548 2HD1 ILE 77 2HD1 ILE 77 -1.160 -2.994 -7.453 549 3HD1 ILE 77 3HD1 ILE 77 0.104 -2.091 -6.619 550 HA PRO 78 HA PRO 78 -0.437 -7.477 -11.116 551 1HB PRO 78 2HB PRO 78 1.540 -9.299 -10.793 552 2HB PRO 78 1HB PRO 78 1.496 -8.164 -12.152 553 1HG PRO 78 2HG PRO 78 3.053 -8.007 -9.596 554 2HG PRO 78 1HG PRO 78 3.586 -7.662 -11.256 555 1HD PRO 78 2HD PRO 78 2.892 -5.709 -9.509 556 2HD PRO 78 1HD PRO 78 2.628 -5.565 -11.261 557 H TYR 79 H TYR 79 1.208 -7.196 -8.017 558 HA TYR 79 HA TYR 79 -0.244 -9.511 -7.010 559 1HB TYR 79 2HB TYR 79 1.042 -9.263 -4.951 560 2HB TYR 79 1HB TYR 79 2.100 -9.336 -6.349 561 HD1 TYR 79 1HD TYR 79 0.448 -6.801 -4.110 562 HD2 TYR 79 2HD TYR 79 3.824 -7.826 -6.507 563 HE1 TYR 79 1HE TYR 79 1.621 -4.789 -3.331 564 HE2 TYR 79 2HE TYR 79 4.988 -5.809 -5.738 565 HH TYR 79 HH TYR 79 4.465 -3.625 -4.797 566 H LYS 80 H LYS 80 -0.916 -9.017 -4.518 567 HA LYS 80 HA LYS 80 -2.683 -6.679 -4.695 568 1HB LYS 80 2HB LYS 80 -3.821 -8.859 -5.195 569 2HB LYS 80 1HB LYS 80 -3.455 -9.369 -3.554 570 1HG LYS 80 2HG LYS 80 -5.774 -8.488 -3.940 571 2HG LYS 80 1HG LYS 80 -4.877 -7.723 -2.625 572 1HD LYS 80 2HD LYS 80 -5.964 -5.997 -3.868 573 2HD LYS 80 1HD LYS 80 -4.236 -5.911 -4.218 574 1HE LYS 80 2HE LYS 80 -4.572 -7.031 -6.329 575 2HE LYS 80 1HE LYS 80 -6.286 -7.253 -5.974 576 1HZ LYS 80 1HZ LYS 80 -4.879 -4.677 -6.403 577 2HZ LYS 80 2HZ LYS 80 -6.487 -4.812 -5.881 578 3HZ LYS 80 3HZ LYS 80 -6.043 -5.388 -7.412 579 H ILE 81 H ILE 81 -3.632 -6.092 -2.547 580 HA ILE 81 HA ILE 81 -1.508 -5.822 -0.609 581 HB ILE 81 HB ILE 81 -3.018 -4.269 0.515 582 1HG1 ILE 81 2HG1 ILE 81 -5.057 -5.119 -1.561 583 2HG1 ILE 81 1HG1 ILE 81 -5.110 -5.532 0.149 584 1HG2 ILE 81 1HG2 ILE 81 -1.750 -3.373 -1.336 585 2HG2 ILE 81 2HG2 ILE 81 -3.357 -2.641 -1.326 586 3HG2 ILE 81 3HG2 ILE 81 -2.976 -3.916 -2.483 587 1HD1 ILE 81 1HD1 ILE 81 -5.313 -2.766 -1.014 588 2HD1 ILE 81 2HD1 ILE 81 -5.350 -3.163 0.705 589 3HD1 ILE 81 3HD1 ILE 81 -6.639 -3.725 -0.360 590 H SER 82 H SER 82 -3.818 -8.102 -1.182 591 HA SER 82 HA SER 82 -4.928 -8.515 1.398 592 1HB SER 82 2HB SER 82 -4.757 -10.420 -0.953 593 2HB SER 82 1HB SER 82 -5.828 -10.586 0.441 594 HG SER 82 HG SER 82 -6.750 -8.532 -0.186 595 H THR 83 H THR 83 -4.706 -10.626 2.560 596 HA THR 83 HA THR 83 -1.910 -11.021 3.176 597 HB THR 83 HB THR 83 -2.785 -12.477 5.010 598 HG1 THR 83 1HG THR 83 -5.345 -11.649 4.027 599 1HG2 THR 83 1HG2 THR 83 -2.446 -10.105 5.427 600 2HG2 THR 83 2HG2 THR 83 -3.890 -10.658 6.274 601 3HG2 THR 83 3HG2 THR 83 -4.042 -9.739 4.778 602 H SER 84 H SER 84 -3.389 -12.116 0.675 603 HA SER 84 HA SER 84 -2.608 -14.942 0.972 604 1HB SER 84 2HB SER 84 -5.058 -14.481 0.592 605 2HB SER 84 1HB SER 84 -4.628 -13.799 -0.977 606 HG SER 84 HG SER 84 -4.955 -15.815 -1.555 607 H THR 85 H THR 85 -1.311 -12.273 -0.044 608 HA THR 85 HA THR 85 -0.758 -12.712 -2.800 609 HB THR 85 HB THR 85 0.708 -10.947 -0.830 610 HG1 THR 85 1HG THR 85 -0.766 -9.338 -1.654 611 1HG2 THR 85 1HG2 THR 85 1.937 -11.253 -2.916 612 2HG2 THR 85 2HG2 THR 85 1.271 -9.620 -2.830 613 3HG2 THR 85 3HG2 THR 85 0.496 -10.838 -3.845 614 H ASN 86 H ASN 86 0.686 -13.828 0.142 615 HA ASN 86 HA ASN 86 2.570 -14.965 0.667 616 1HB ASN 86 2HB ASN 86 1.701 -16.617 -0.927 617 2HB ASN 86 1HB ASN 86 2.508 -15.775 -2.250 618 1HD2 ASN 86 1HD2 ASN 86 3.712 -17.597 -2.784 619 2HD2 ASN 86 2HD2 ASN 86 5.033 -18.152 -1.806 620 H CYS 87 H CYS 87 3.692 -13.090 1.127 621 HA CYS 87 HA CYS 87 5.037 -11.593 -0.923 622 1HB CYS 87 2HB CYS 87 5.282 -11.387 2.083 623 2HB CYS 87 1HB CYS 87 5.786 -10.175 0.902 624 H ASN 88 H ASN 88 5.743 -14.441 0.572 625 HA ASN 88 HA ASN 88 8.504 -14.149 1.149 626 1HB ASN 88 2HB ASN 88 7.132 -15.949 2.116 627 2HB ASN 88 1HB ASN 88 6.906 -16.644 0.514 628 1HD2 ASN 88 1HD2 ASN 88 7.862 -18.568 0.893 629 2HD2 ASN 88 2HD2 ASN 88 9.560 -18.755 1.229 630 H SER 89 H SER 89 6.700 -14.919 -1.762 631 HA SER 89 HA SER 89 9.249 -15.239 -3.191 632 1HB SER 89 2HB SER 89 8.075 -17.434 -2.696 633 2HB SER 89 1HB SER 89 6.788 -16.886 -3.768 634 HG SER 89 HG SER 89 8.074 -17.096 -5.480 635 H ILE 90 H ILE 90 7.322 -12.963 -2.934 636 HA ILE 90 HA ILE 90 5.919 -12.624 -5.358 637 HB ILE 90 HB ILE 90 6.055 -10.190 -4.945 638 1HG1 ILE 90 2HG1 ILE 90 7.727 -10.970 -2.546 639 2HG1 ILE 90 1HG1 ILE 90 8.335 -10.171 -4.000 640 1HG2 ILE 90 1HG2 ILE 90 4.297 -11.513 -3.909 641 2HG2 ILE 90 2HG2 ILE 90 4.779 -10.166 -2.880 642 3HG2 ILE 90 3HG2 ILE 90 5.329 -11.801 -2.508 643 1HD1 ILE 90 1HD1 ILE 90 8.001 -8.609 -2.146 644 2HD1 ILE 90 2HD1 ILE 90 6.289 -9.032 -2.102 645 3HD1 ILE 90 3HD1 ILE 90 6.961 -8.229 -3.520 646 H ASN 91 H ASN 91 9.268 -12.268 -4.514 647 HA ASN 91 HA ASN 91 9.821 -11.120 -7.154 648 1HB ASN 91 2HB ASN 91 10.398 -9.683 -5.178 649 2HB ASN 91 1HB ASN 91 11.571 -10.914 -4.704 650 1HD2 ASN 91 1HD2 ASN 91 10.825 -9.967 -8.010 651 2HD2 ASN 91 2HD2 ASN 91 12.382 -9.271 -8.350 Start of MODEL 14 1 1H MET 1 1HT MET 1 14.066 -0.164 6.212 2 2H MET 1 2HT MET 1 14.104 1.483 6.614 3 3H MET 1 3HT MET 1 13.187 0.955 5.291 4 HA MET 1 HA MET 1 12.688 0.197 8.105 5 1HB MET 1 2HB MET 1 11.747 2.462 6.444 6 2HB MET 1 1HB MET 1 10.512 1.628 7.385 7 1HG MET 1 2HG MET 1 13.041 2.833 8.488 8 2HG MET 1 1HG MET 1 11.429 3.553 8.569 9 1HE MET 1 1HE MET 1 9.391 2.434 9.928 10 2HE MET 1 2HE MET 1 9.541 0.920 10.820 11 3HE MET 1 3HE MET 1 9.654 0.923 9.060 12 H THR 2 H THR 2 9.875 0.134 7.677 13 HA THR 2 HA THR 2 9.375 -1.894 5.706 14 HB THR 2 HB THR 2 9.355 -2.709 8.620 15 HG1 THR 2 1HG THR 2 11.138 -3.891 8.151 16 1HG2 THR 2 1HG2 THR 2 8.675 -4.268 6.127 17 2HG2 THR 2 2HG2 THR 2 7.528 -3.701 7.338 18 3HG2 THR 2 3HG2 THR 2 8.731 -4.920 7.766 19 H CYS 3 H CYS 3 7.900 -1.651 8.906 20 HA CYS 3 HA CYS 3 5.280 -1.492 7.676 21 1HB CYS 3 2HB CYS 3 6.106 -2.968 9.672 22 2HB CYS 3 1HB CYS 3 5.812 -1.527 10.637 23 H GLY 4 H GLY 4 7.432 0.522 9.603 24 1HA GLY 4 2HA GLY 4 5.547 2.722 9.645 25 2HA GLY 4 1HA GLY 4 7.243 2.789 10.118 26 H GLN 5 H GLN 5 7.791 1.367 7.497 27 HA GLN 5 HA GLN 5 8.388 3.685 5.927 28 1HB GLN 5 2HB GLN 5 9.767 1.569 6.063 29 2HB GLN 5 1HB GLN 5 8.518 0.765 5.125 30 1HG GLN 5 2HG GLN 5 8.921 2.229 3.268 31 2HG GLN 5 1HG GLN 5 10.078 3.159 4.217 32 1HE2 GLN 5 1HE2 GLN 5 9.513 0.173 2.501 33 2HE2 GLN 5 2HE2 GLN 5 11.177 -0.334 2.467 34 H VAL 6 H VAL 6 6.404 0.831 5.507 35 HA VAL 6 HA VAL 6 5.023 1.555 3.181 36 HB VAL 6 HB VAL 6 5.189 -0.727 4.129 37 1HG1 VAL 6 1HG1 VAL 6 3.787 -1.374 6.004 38 2HG1 VAL 6 2HG1 VAL 6 3.275 0.302 6.199 39 3HG1 VAL 6 3HG1 VAL 6 4.962 -0.140 6.463 40 1HG2 VAL 6 1HG2 VAL 6 2.351 0.219 3.857 41 2HG2 VAL 6 2HG2 VAL 6 2.901 -1.457 3.793 42 3HG2 VAL 6 3HG2 VAL 6 3.407 -0.314 2.546 43 H GLN 7 H GLN 7 4.556 2.397 6.534 44 HA GLN 7 HA GLN 7 1.841 3.083 6.474 45 1HB GLN 7 2HB GLN 7 3.140 2.727 8.540 46 2HB GLN 7 1HB GLN 7 4.028 4.217 8.226 47 1HG GLN 7 2HG GLN 7 2.002 5.515 8.463 48 2HG GLN 7 1HG GLN 7 1.054 4.041 8.672 49 1HE2 GLN 7 1HE2 GLN 7 0.331 4.685 10.704 50 2HE2 GLN 7 2HE2 GLN 7 1.366 4.676 12.089 51 H GLY 8 H GLY 8 4.737 4.883 5.627 52 1HA GLY 8 2HA GLY 8 3.667 7.460 5.449 53 2HA GLY 8 1HA GLY 8 5.006 6.859 4.482 54 H ASN 9 H ASN 9 3.295 4.724 3.368 55 HA ASN 9 HA ASN 9 2.241 6.081 1.093 56 1HB ASN 9 2HB ASN 9 3.160 3.841 0.889 57 2HB ASN 9 1HB ASN 9 2.036 3.222 2.085 58 1HD2 ASN 9 1HD2 ASN 9 2.547 2.316 -0.597 59 2HD2 ASN 9 2HD2 ASN 9 1.040 2.398 -1.444 60 H LEU 10 H LEU 10 0.690 4.128 3.631 61 HA LEU 10 HA LEU 10 -1.924 4.757 2.679 62 1HB LEU 10 2HB LEU 10 -0.979 3.348 5.169 63 2HB LEU 10 1HB LEU 10 -2.665 3.516 4.731 64 HG LEU 10 HG LEU 10 -2.056 1.338 4.089 65 1HD1 LEU 10 1HD1 LEU 10 -3.370 2.466 2.401 66 2HD1 LEU 10 2HD1 LEU 10 -2.245 1.332 1.653 67 3HD1 LEU 10 3HD1 LEU 10 -1.900 3.061 1.627 68 1HD2 LEU 10 1HD2 LEU 10 -0.115 0.816 2.679 69 2HD2 LEU 10 2HD2 LEU 10 0.353 1.527 4.223 70 3HD2 LEU 10 3HD2 LEU 10 0.383 2.506 2.757 71 H ALA 11 H ALA 11 0.183 6.235 4.988 72 HA ALA 11 HA ALA 11 -1.761 7.206 6.792 73 1HB ALA 11 1HB ALA 11 0.978 8.316 6.233 74 2HB ALA 11 2HB ALA 11 0.602 7.011 7.355 75 3HB ALA 11 3HB ALA 11 -0.011 8.633 7.660 76 H GLN 12 H GLN 12 -0.942 8.313 3.637 77 HA GLN 12 HA GLN 12 -1.987 10.983 4.248 78 1HB GLN 12 2HB GLN 12 -1.020 10.105 1.538 79 2HB GLN 12 1HB GLN 12 -1.082 11.731 2.202 80 1HG GLN 12 2HG GLN 12 0.680 10.983 3.832 81 2HG GLN 12 1HG GLN 12 0.849 9.534 2.860 82 1HE2 GLN 12 1HE2 GLN 12 0.193 12.761 1.623 83 2HE2 GLN 12 2HE2 GLN 12 1.722 12.958 0.824 84 H CYS 13 H CYS 13 -2.890 8.044 2.802 85 HA CYS 13 HA CYS 13 -5.277 9.320 1.684 86 1HB CYS 13 2HB CYS 13 -3.733 6.883 1.005 87 2HB CYS 13 1HB CYS 13 -5.481 6.817 0.769 88 H ILE 14 H ILE 14 -4.266 7.900 4.435 89 HA ILE 14 HA ILE 14 -6.073 5.915 5.068 90 HB ILE 14 HB ILE 14 -4.031 6.686 6.378 91 1HG1 ILE 14 2HG1 ILE 14 -6.587 6.194 7.910 92 2HG1 ILE 14 1HG1 ILE 14 -5.598 4.967 7.124 93 1HG2 ILE 14 1HG2 ILE 14 -6.015 8.697 7.433 94 2HG2 ILE 14 2HG2 ILE 14 -4.482 9.024 6.623 95 3HG2 ILE 14 3HG2 ILE 14 -4.494 8.295 8.229 96 1HD1 ILE 14 1HD1 ILE 14 -4.722 6.727 9.402 97 2HD1 ILE 14 2HD1 ILE 14 -3.757 5.468 8.632 98 3HD1 ILE 14 3HD1 ILE 14 -5.212 5.038 9.532 99 H GLY 15 H GLY 15 -6.509 9.428 5.057 100 1HA GLY 15 2HA GLY 15 -8.906 9.564 6.530 101 2HA GLY 15 1HA GLY 15 -8.456 10.667 5.244 102 H PHE 16 H PHE 16 -8.362 8.835 3.164 103 HA PHE 16 HA PHE 16 -11.179 8.393 2.612 104 1HB PHE 16 2HB PHE 16 -10.065 9.371 0.822 105 2HB PHE 16 1HB PHE 16 -8.611 8.423 1.088 106 HD1 PHE 16 1HD PHE 16 -11.908 8.509 -0.485 107 HD2 PHE 16 2HD PHE 16 -8.401 6.180 0.159 108 HE1 PHE 16 1HE PHE 16 -12.571 7.004 -2.312 109 HE2 PHE 16 2HE PHE 16 -9.060 4.676 -1.669 110 HZ PHE 16 HZ PHE 16 -11.142 5.088 -2.909 111 H LEU 17 H LEU 17 -8.254 6.694 3.195 112 HA LEU 17 HA LEU 17 -8.786 4.117 2.312 113 1HB LEU 17 2HB LEU 17 -6.691 5.365 3.311 114 2HB LEU 17 1HB LEU 17 -7.262 4.679 4.823 115 HG LEU 17 HG LEU 17 -7.091 2.444 3.823 116 1HD1 LEU 17 1HD1 LEU 17 -5.840 2.149 1.748 117 2HD1 LEU 17 2HD1 LEU 17 -5.727 3.900 1.560 118 3HD1 LEU 17 3HD1 LEU 17 -7.297 3.100 1.464 119 1HD2 LEU 17 1HD2 LEU 17 -4.591 4.109 3.852 120 2HD2 LEU 17 2HD2 LEU 17 -4.636 2.346 3.903 121 3HD2 LEU 17 3HD2 LEU 17 -5.327 3.283 5.227 122 H GLN 18 H GLN 18 -9.271 5.564 5.513 123 HA GLN 18 HA GLN 18 -10.511 3.129 6.509 124 1HB GLN 18 2HB GLN 18 -8.960 4.085 8.017 125 2HB GLN 18 1HB GLN 18 -9.566 5.714 7.745 126 1HG GLN 18 2HG GLN 18 -11.652 5.093 8.864 127 2HG GLN 18 1HG GLN 18 -10.976 3.496 9.199 128 1HE2 GLN 18 1HE2 GLN 18 -10.897 6.870 9.990 129 2HE2 GLN 18 2HE2 GLN 18 -9.933 6.724 11.418 130 H LYS 19 H LYS 19 -11.271 6.596 6.181 131 HA LYS 19 HA LYS 19 -14.074 6.055 6.787 132 1HB LYS 19 2HB LYS 19 -13.077 7.913 7.971 133 2HB LYS 19 1HB LYS 19 -12.516 8.625 6.469 134 1HG LYS 19 2HG LYS 19 -14.352 9.912 7.079 135 2HG LYS 19 1HG LYS 19 -14.974 8.830 5.838 136 1HD LYS 19 2HD LYS 19 -15.225 8.244 8.778 137 2HD LYS 19 1HD LYS 19 -16.431 9.169 7.886 138 1HE LYS 19 2HE LYS 19 -16.710 7.254 6.353 139 2HE LYS 19 1HE LYS 19 -15.576 6.330 7.337 140 1HZ LYS 19 1HZ LYS 19 -17.099 6.651 9.234 141 2HZ LYS 19 2HZ LYS 19 -17.800 5.771 7.967 142 3HZ LYS 19 3HZ LYS 19 -18.210 7.400 8.189 143 H GLY 20 H GLY 20 -12.465 8.199 4.445 144 1HA GLY 20 2HA GLY 20 -13.044 7.349 2.029 145 2HA GLY 20 1HA GLY 20 -14.677 7.723 2.586 146 H GLY 21 H GLY 21 -13.196 8.981 0.416 147 1HA GLY 21 2HA GLY 21 -13.916 11.591 0.631 148 2HA GLY 21 1HA GLY 21 -12.319 11.549 1.380 149 H VAL 22 H VAL 22 -10.628 11.802 0.104 150 HA VAL 22 HA VAL 22 -10.878 11.239 -2.758 151 HB VAL 22 HB VAL 22 -11.482 13.611 -2.436 152 1HG1 VAL 22 1HG1 VAL 22 -8.730 13.874 -1.240 153 2HG1 VAL 22 2HG1 VAL 22 -10.266 14.057 -0.391 154 3HG1 VAL 22 3HG1 VAL 22 -9.803 15.215 -1.640 155 1HG2 VAL 22 1HG2 VAL 22 -8.807 13.205 -3.764 156 2HG2 VAL 22 2HG2 VAL 22 -9.854 14.604 -3.993 157 3HG2 VAL 22 3HG2 VAL 22 -10.396 13.006 -4.508 158 H VAL 23 H VAL 23 -8.888 10.870 -3.804 159 HA VAL 23 HA VAL 23 -6.637 10.378 -1.983 160 HB VAL 23 HB VAL 23 -7.103 9.382 -4.799 161 1HG1 VAL 23 1HG1 VAL 23 -5.126 7.956 -4.392 162 2HG1 VAL 23 2HG1 VAL 23 -4.833 8.834 -2.888 163 3HG1 VAL 23 3HG1 VAL 23 -4.730 9.675 -4.436 164 1HG2 VAL 23 1HG2 VAL 23 -7.106 7.931 -2.159 165 2HG2 VAL 23 2HG2 VAL 23 -7.353 7.202 -3.748 166 3HG2 VAL 23 3HG2 VAL 23 -8.537 8.342 -3.106 167 HA PRO 24 HA PRO 24 -4.890 14.104 -3.802 168 1HB PRO 24 2HB PRO 24 -2.967 14.411 -1.944 169 2HB PRO 24 1HB PRO 24 -4.658 14.809 -1.611 170 1HG PRO 24 2HG PRO 24 -3.117 12.336 -0.890 171 2HG PRO 24 1HG PRO 24 -4.227 13.296 0.115 172 1HD PRO 24 2HD PRO 24 -4.957 10.993 -1.138 173 2HD PRO 24 1HD PRO 24 -6.090 12.319 -0.807 174 HA PRO 25 HA PRO 25 -1.519 12.358 -6.148 175 1HB PRO 25 2HB PRO 25 -0.148 14.666 -6.702 176 2HB PRO 25 1HB PRO 25 -1.615 14.163 -7.555 177 1HG PRO 25 2HG PRO 25 -1.300 16.117 -5.310 178 2HG PRO 25 1HG PRO 25 -2.299 16.240 -6.770 179 1HD PRO 25 2HD PRO 25 -3.349 15.572 -4.387 180 2HD PRO 25 1HD PRO 25 -3.958 14.879 -5.904 181 H SER 26 H SER 26 -1.152 14.062 -3.241 182 HA SER 26 HA SER 26 1.682 13.872 -2.918 183 1HB SER 26 2HB SER 26 -0.535 14.166 -0.874 184 2HB SER 26 1HB SER 26 1.184 14.409 -0.555 185 HG SER 26 HG SER 26 0.872 16.377 -1.152 186 H CYS 27 H CYS 27 -1.035 12.296 -1.329 187 HA CYS 27 HA CYS 27 0.109 10.076 -0.214 188 1HB CYS 27 2HB CYS 27 -2.166 10.323 0.188 189 2HB CYS 27 1HB CYS 27 -2.537 10.629 -1.505 190 H CYS 28 H CYS 28 -1.019 10.538 -3.549 191 HA CYS 28 HA CYS 28 -0.618 8.009 -4.534 192 1HB CYS 28 2HB CYS 28 -1.474 9.016 -6.330 193 2HB CYS 28 1HB CYS 28 -1.155 10.591 -5.610 194 H THR 29 H THR 29 1.715 10.639 -4.255 195 HA THR 29 HA THR 29 3.802 9.326 -5.616 196 HB THR 29 HB THR 29 3.826 11.580 -3.596 197 HG1 THR 29 1HG THR 29 3.612 12.833 -5.319 198 1HG2 THR 29 1HG2 THR 29 6.006 10.477 -3.575 199 2HG2 THR 29 2HG2 THR 29 6.105 12.064 -4.336 200 3HG2 THR 29 3HG2 THR 29 6.097 10.610 -5.331 201 H GLY 30 H GLY 30 2.870 9.452 -2.196 202 1HA GLY 30 2HA GLY 30 5.110 7.972 -1.229 203 2HA GLY 30 1HA GLY 30 3.583 8.207 -0.389 204 H VAL 31 H VAL 31 1.860 7.072 -2.308 205 HA VAL 31 HA VAL 31 2.019 4.315 -1.866 206 HB VAL 31 HB VAL 31 0.753 5.661 -4.268 207 1HG1 VAL 31 1HG1 VAL 31 0.941 3.269 -4.541 208 2HG1 VAL 31 2HG1 VAL 31 -0.744 3.713 -4.275 209 3HG1 VAL 31 3HG1 VAL 31 0.198 3.005 -2.965 210 1HG2 VAL 31 1HG2 VAL 31 -1.337 5.636 -2.956 211 2HG2 VAL 31 2HG2 VAL 31 -0.105 6.700 -2.277 212 3HG2 VAL 31 3HG2 VAL 31 -0.412 5.125 -1.544 213 H LYS 32 H LYS 32 3.002 6.281 -4.612 214 HA LYS 32 HA LYS 32 4.102 4.277 -6.200 215 1HB LYS 32 2HB LYS 32 3.649 6.596 -6.934 216 2HB LYS 32 1HB LYS 32 4.986 7.159 -5.945 217 1HG LYS 32 2HG LYS 32 6.550 5.882 -7.313 218 2HG LYS 32 1HG LYS 32 5.208 5.286 -8.292 219 1HD LYS 32 2HD LYS 32 5.961 8.191 -7.966 220 2HD LYS 32 1HD LYS 32 6.394 7.181 -9.347 221 1HE LYS 32 2HE LYS 32 4.083 6.896 -9.938 222 2HE LYS 32 1HE LYS 32 3.561 7.708 -8.464 223 1HZ LYS 32 1HZ LYS 32 5.158 9.015 -10.602 224 2HZ LYS 32 2HZ LYS 32 4.445 9.762 -9.257 225 3HZ LYS 32 3HZ LYS 32 3.470 9.119 -10.481 226 H ASN 33 H ASN 33 5.366 5.849 -3.322 227 HA ASN 33 HA ASN 33 8.067 5.047 -3.813 228 1HB ASN 33 2HB ASN 33 6.646 6.105 -1.379 229 2HB ASN 33 1HB ASN 33 8.309 5.532 -1.281 230 1HD2 ASN 33 1HD2 ASN 33 7.356 8.188 -0.792 231 2HD2 ASN 33 2HD2 ASN 33 8.139 9.216 -1.940 232 H ILE 34 H ILE 34 5.403 3.661 -1.923 233 HA ILE 34 HA ILE 34 7.077 1.484 -1.036 234 HB ILE 34 HB ILE 34 4.416 2.491 -0.402 235 1HG1 ILE 34 2HG1 ILE 34 5.039 1.828 1.794 236 2HG1 ILE 34 1HG1 ILE 34 6.227 0.682 1.185 237 1HG2 ILE 34 1HG2 ILE 34 3.471 0.355 0.359 238 2HG2 ILE 34 2HG2 ILE 34 4.797 -0.502 -0.427 239 3HG2 ILE 34 3HG2 ILE 34 3.641 0.410 -1.396 240 1HD1 ILE 34 1HD1 ILE 34 6.376 3.679 1.094 241 2HD1 ILE 34 2HD1 ILE 34 7.498 2.599 0.261 242 3HD1 ILE 34 3HD1 ILE 34 7.391 2.574 2.026 243 H LEU 35 H LEU 35 4.832 2.072 -3.612 244 HA LEU 35 HA LEU 35 4.522 -0.766 -4.140 245 1HB LEU 35 2HB LEU 35 2.768 1.225 -4.226 246 2HB LEU 35 1HB LEU 35 3.350 1.346 -5.874 247 HG LEU 35 HG LEU 35 2.698 -0.999 -6.260 248 1HD1 LEU 35 1HD1 LEU 35 1.548 -0.806 -3.476 249 2HD1 LEU 35 2HD1 LEU 35 2.903 -1.821 -3.970 250 3HD1 LEU 35 3HD1 LEU 35 1.290 -2.134 -4.610 251 1HD2 LEU 35 1HD2 LEU 35 0.533 0.805 -5.190 252 2HD2 LEU 35 2HD2 LEU 35 0.275 -0.592 -6.234 253 3HD2 LEU 35 3HD2 LEU 35 1.178 0.800 -6.832 254 H ASN 36 H ASN 36 5.949 2.080 -5.610 255 HA ASN 36 HA ASN 36 6.976 0.402 -7.793 256 1HB ASN 36 2HB ASN 36 5.841 2.402 -8.556 257 2HB ASN 36 1HB ASN 36 6.818 3.411 -7.485 258 1HD2 ASN 36 1HD2 ASN 36 8.889 3.955 -8.073 259 2HD2 ASN 36 2HD2 ASN 36 9.539 3.635 -9.650 260 H SER 37 H SER 37 8.003 2.834 -5.437 261 HA SER 37 HA SER 37 10.774 2.398 -6.135 262 1HB SER 37 2HB SER 37 9.497 4.335 -4.199 263 2HB SER 37 1HB SER 37 11.198 4.335 -4.682 264 HG SER 37 HG SER 37 10.665 5.353 -6.424 265 H SER 38 H SER 38 9.025 0.433 -4.401 266 HA SER 38 HA SER 38 10.440 0.149 -1.973 267 1HB SER 38 2HB SER 38 8.426 -1.119 -2.444 268 2HB SER 38 1HB SER 38 9.242 -2.002 -3.740 269 HG SER 38 HG SER 38 9.172 -2.550 -1.142 270 H ARG 39 H ARG 39 12.463 0.294 -1.863 271 HA ARG 39 HA ARG 39 14.207 0.365 -3.970 272 1HB ARG 39 2HB ARG 39 14.499 1.488 -1.815 273 2HB ARG 39 1HB ARG 39 14.800 -0.065 -1.043 274 1HG ARG 39 2HG ARG 39 16.816 -0.329 -2.424 275 2HG ARG 39 1HG ARG 39 16.518 1.265 -3.126 276 1HD ARG 39 2HD ARG 39 16.994 0.658 -0.209 277 2HD ARG 39 1HD ARG 39 18.145 1.408 -1.315 278 HE ARG 39 HE ARG 39 16.678 3.331 -1.418 279 1HH1 ARG 39 1HH1 ARG 39 15.971 1.023 1.124 280 2HH1 ARG 39 2HH1 ARG 39 15.146 2.179 2.120 281 1HH2 ARG 39 1HH2 ARG 39 15.565 4.845 -0.119 282 2HH2 ARG 39 2HH2 ARG 39 14.922 4.353 1.422 283 H THR 40 H THR 40 13.882 -2.249 -1.575 284 HA THR 40 HA THR 40 15.618 -3.849 -3.319 285 HB THR 40 HB THR 40 16.600 -4.906 -1.323 286 HG1 THR 40 1HG THR 40 15.219 -2.868 0.141 287 1HG2 THR 40 1HG2 THR 40 17.778 -3.030 -2.334 288 2HG2 THR 40 2HG2 THR 40 17.969 -2.998 -0.581 289 3HG2 THR 40 3HG2 THR 40 16.839 -1.894 -1.365 290 H THR 41 H THR 41 15.530 -6.208 -2.835 291 HA THR 41 HA THR 41 12.957 -7.314 -2.865 292 HB THR 41 HB THR 41 15.514 -8.584 -1.895 293 HG1 THR 41 1HG THR 41 14.726 -9.187 -4.450 294 1HG2 THR 41 1HG2 THR 41 14.486 -10.699 -2.621 295 2HG2 THR 41 2HG2 THR 41 13.007 -9.828 -3.028 296 3HG2 THR 41 3HG2 THR 41 13.545 -9.916 -1.351 297 H ALA 42 H ALA 42 15.247 -6.700 -0.263 298 HA ALA 42 HA ALA 42 13.818 -7.894 1.842 299 1HB ALA 42 1HB ALA 42 16.169 -7.263 2.041 300 2HB ALA 42 2HB ALA 42 15.206 -6.509 3.313 301 3HB ALA 42 3HB ALA 42 15.729 -5.559 1.922 302 H ASP 43 H ASP 43 13.525 -4.846 0.192 303 HA ASP 43 HA ASP 43 11.786 -3.614 2.109 304 1HB ASP 43 2HB ASP 43 12.671 -3.044 -0.684 305 2HB ASP 43 1HB ASP 43 11.258 -2.211 -0.079 306 H ARG 44 H ARG 44 11.408 -5.303 -0.951 307 HA ARG 44 HA ARG 44 8.636 -4.887 -1.200 308 1HB ARG 44 2HB ARG 44 10.402 -6.987 -2.471 309 2HB ARG 44 1HB ARG 44 8.762 -6.586 -2.990 310 1HG ARG 44 2HG ARG 44 9.426 -4.376 -3.607 311 2HG ARG 44 1HG ARG 44 11.024 -4.604 -2.898 312 1HD ARG 44 2HD ARG 44 11.374 -6.450 -4.578 313 2HD ARG 44 1HD ARG 44 9.889 -5.906 -5.362 314 HE ARG 44 HE ARG 44 11.650 -3.727 -4.964 315 1HH1 ARG 44 1HH1 ARG 44 11.219 -6.557 -7.008 316 2HH1 ARG 44 2HH1 ARG 44 12.095 -5.852 -8.340 317 1HH2 ARG 44 1HH2 ARG 44 12.823 -2.848 -6.714 318 2HH2 ARG 44 2HH2 ARG 44 13.004 -3.773 -8.177 319 H ARG 45 H ARG 45 10.499 -7.587 0.141 320 HA ARG 45 HA ARG 45 8.060 -9.102 0.623 321 1HB ARG 45 2HB ARG 45 10.855 -9.801 1.517 322 2HB ARG 45 1HB ARG 45 9.472 -10.881 1.387 323 1HG ARG 45 2HG ARG 45 9.486 -10.302 -1.096 324 2HG ARG 45 1HG ARG 45 11.093 -9.640 -0.796 325 1HD ARG 45 2HD ARG 45 10.179 -12.482 -0.361 326 2HD ARG 45 1HD ARG 45 11.324 -11.906 -1.570 327 HE ARG 45 HE ARG 45 12.086 -11.382 1.173 328 1HH1 ARG 45 1HH1 ARG 45 12.255 -13.629 -1.507 329 2HH1 ARG 45 2HH1 ARG 45 13.672 -14.435 -0.916 330 1HH2 ARG 45 1HH2 ARG 45 13.949 -12.432 1.962 331 2HH2 ARG 45 2HH2 ARG 45 14.648 -13.746 1.062 332 H ALA 46 H ALA 46 9.457 -6.600 2.125 333 HA ALA 46 HA ALA 46 8.626 -7.495 4.800 334 1HB ALA 46 1HB ALA 46 10.133 -5.012 3.992 335 2HB ALA 46 2HB ALA 46 10.842 -6.478 4.671 336 3HB ALA 46 3HB ALA 46 9.744 -5.495 5.642 337 H VAL 47 H VAL 47 8.098 -4.988 2.377 338 HA VAL 47 HA VAL 47 6.189 -3.510 3.844 339 HB VAL 47 HB VAL 47 7.415 -2.575 1.932 340 1HG1 VAL 47 1HG1 VAL 47 5.674 -4.327 0.206 341 2HG1 VAL 47 2HG1 VAL 47 7.410 -4.516 0.454 342 3HG1 VAL 47 3HG1 VAL 47 6.788 -3.080 -0.357 343 1HG2 VAL 47 1HG2 VAL 47 5.552 -1.385 0.888 344 2HG2 VAL 47 2HG2 VAL 47 5.362 -1.507 2.637 345 3HG2 VAL 47 3HG2 VAL 47 4.429 -2.559 1.572 346 H CYS 48 H CYS 48 5.890 -6.306 1.716 347 HA CYS 48 HA CYS 48 3.108 -6.223 1.346 348 1HB CYS 48 2HB CYS 48 3.404 -8.781 1.079 349 2HB CYS 48 1HB CYS 48 4.236 -7.712 -0.053 350 H SER 49 H SER 49 5.033 -7.882 3.831 351 HA SER 49 HA SER 49 3.026 -9.025 5.326 352 1HB SER 49 2HB SER 49 5.590 -7.744 6.293 353 2HB SER 49 1HB SER 49 4.571 -8.793 7.279 354 HG SER 49 HG SER 49 6.488 -9.571 5.748 355 H CYS 50 H CYS 50 4.096 -5.638 5.424 356 HA CYS 50 HA CYS 50 2.245 -5.095 7.600 357 1HB CYS 50 2HB CYS 50 4.504 -4.028 7.540 358 2HB CYS 50 1HB CYS 50 4.007 -3.154 6.093 359 H LEU 51 H LEU 51 2.503 -4.549 4.140 360 HA LEU 51 HA LEU 51 0.347 -2.799 3.772 361 1HB LEU 51 2HB LEU 51 1.948 -3.437 2.009 362 2HB LEU 51 1HB LEU 51 1.287 -5.058 1.994 363 HG LEU 51 HG LEU 51 -0.883 -4.130 1.225 364 1HD1 LEU 51 1HD1 LEU 51 -0.980 -1.839 0.414 365 2HD1 LEU 51 2HD1 LEU 51 0.661 -1.552 0.991 366 3HD1 LEU 51 3HD1 LEU 51 -0.634 -1.876 2.143 367 1HD2 LEU 51 1HD2 LEU 51 1.492 -3.425 -0.496 368 2HD2 LEU 51 2HD2 LEU 51 -0.159 -3.687 -1.060 369 3HD2 LEU 51 3HD2 LEU 51 0.757 -5.022 -0.360 370 H LYS 52 H LYS 52 0.514 -6.235 4.280 371 HA LYS 52 HA LYS 52 -2.117 -7.017 3.889 372 1HB LYS 52 2HB LYS 52 -0.318 -8.585 4.318 373 2HB LYS 52 1HB LYS 52 -0.065 -7.912 5.920 374 1HG LYS 52 2HG LYS 52 -2.234 -8.739 6.626 375 2HG LYS 52 1HG LYS 52 -2.526 -9.382 5.008 376 1HD LYS 52 2HD LYS 52 -0.320 -10.216 6.891 377 2HD LYS 52 1HD LYS 52 -1.767 -11.150 6.503 378 1HE LYS 52 2HE LYS 52 -1.065 -11.309 4.180 379 2HE LYS 52 1HE LYS 52 0.350 -10.312 4.521 380 1HZ LYS 52 1HZ LYS 52 0.911 -12.658 4.458 381 2HZ LYS 52 2HZ LYS 52 -0.210 -12.987 5.691 382 3HZ LYS 52 3HZ LYS 52 1.152 -12.031 6.020 383 H ALA 53 H ALA 53 -0.588 -5.545 6.723 384 HA ALA 53 HA ALA 53 -3.022 -5.549 8.264 385 1HB ALA 53 1HB ALA 53 -0.815 -5.716 9.342 386 2HB ALA 53 2HB ALA 53 -1.734 -4.329 9.931 387 3HB ALA 53 3HB ALA 53 -0.424 -4.093 8.773 388 H ALA 54 H ALA 54 -1.580 -3.561 5.901 389 HA ALA 54 HA ALA 54 -2.943 -1.146 6.728 390 1HB ALA 54 1HB ALA 54 -1.906 -0.133 4.762 391 2HB ALA 54 2HB ALA 54 -1.333 -1.718 4.241 392 3HB ALA 54 3HB ALA 54 -0.714 -1.005 5.730 393 H ALA 55 H ALA 55 -4.077 -3.862 5.480 394 HA ALA 55 HA ALA 55 -6.136 -2.419 3.942 395 1HB ALA 55 1HB ALA 55 -4.881 -3.932 2.509 396 2HB ALA 55 2HB ALA 55 -6.541 -4.493 2.703 397 3HB ALA 55 3HB ALA 55 -5.235 -5.277 3.592 398 H GLY 56 H GLY 56 -5.468 -4.932 6.334 399 1HA GLY 56 2HA GLY 56 -8.369 -5.176 6.794 400 2HA GLY 56 1HA GLY 56 -7.188 -6.424 7.164 401 H ALA 57 H ALA 57 -5.858 -3.530 8.127 402 HA ALA 57 HA ALA 57 -6.999 -3.824 10.831 403 1HB ALA 57 1HB ALA 57 -4.092 -3.384 10.158 404 2HB ALA 57 2HB ALA 57 -4.804 -4.895 10.734 405 3HB ALA 57 3HB ALA 57 -4.778 -3.477 11.782 406 H VAL 58 H VAL 58 -7.409 -1.865 8.557 407 HA VAL 58 HA VAL 58 -6.300 0.593 9.651 408 HB VAL 58 HB VAL 58 -8.045 0.303 7.206 409 1HG1 VAL 58 1HG1 VAL 58 -7.843 2.595 8.012 410 2HG1 VAL 58 2HG1 VAL 58 -6.951 2.392 6.502 411 3HG1 VAL 58 3HG1 VAL 58 -6.086 2.444 8.037 412 1HG2 VAL 58 1HG2 VAL 58 -5.042 0.185 7.425 413 2HG2 VAL 58 2HG2 VAL 58 -5.957 0.258 5.918 414 3HG2 VAL 58 3HG2 VAL 58 -6.111 -1.144 6.977 415 H ARG 59 H ARG 59 -8.541 -1.106 10.820 416 HA ARG 59 HA ARG 59 -10.309 -0.768 12.146 417 1HB ARG 59 2HB ARG 59 -9.497 2.082 11.791 418 2HB ARG 59 1HB ARG 59 -10.902 1.639 12.744 419 1HG ARG 59 2HG ARG 59 -9.146 1.885 14.282 420 2HG ARG 59 1HG ARG 59 -9.373 0.148 14.092 421 1HD ARG 59 2HD ARG 59 -7.041 0.497 14.067 422 2HD ARG 59 1HD ARG 59 -7.500 0.230 12.384 423 HE ARG 59 HE ARG 59 -7.513 3.003 13.013 424 1HH1 ARG 59 1HH1 ARG 59 -5.364 0.337 12.251 425 2HH1 ARG 59 2HH1 ARG 59 -4.062 1.375 11.742 426 1HH2 ARG 59 1HH2 ARG 59 -5.812 4.351 12.334 427 2HH2 ARG 59 2HH2 ARG 59 -4.319 3.651 11.791 428 H GLY 60 H GLY 60 -10.700 1.875 9.936 429 1HA GLY 60 2HA GLY 60 -13.479 1.398 9.490 430 2HA GLY 60 1HA GLY 60 -12.452 2.471 8.539 431 H ILE 61 H ILE 61 -10.555 0.326 8.008 432 HA ILE 61 HA ILE 61 -10.112 -1.471 6.723 433 HB ILE 61 HB ILE 61 -13.088 -1.977 6.660 434 1HG1 ILE 61 2HG1 ILE 61 -12.248 -2.078 8.939 435 2HG1 ILE 61 1HG1 ILE 61 -12.576 -3.711 8.368 436 1HG2 ILE 61 1HG2 ILE 61 -10.776 -3.767 5.927 437 2HG2 ILE 61 2HG2 ILE 61 -11.938 -3.053 4.810 438 3HG2 ILE 61 3HG2 ILE 61 -12.471 -4.253 5.988 439 1HD1 ILE 61 1HD1 ILE 61 -10.513 -3.628 9.628 440 2HD1 ILE 61 2HD1 ILE 61 -9.874 -2.397 8.539 441 3HD1 ILE 61 3HD1 ILE 61 -10.187 -4.027 7.942 442 H ASN 62 H ASN 62 -9.406 -1.328 4.780 443 HA ASN 62 HA ASN 62 -11.030 0.032 2.736 444 1HB ASN 62 2HB ASN 62 -8.733 0.353 1.611 445 2HB ASN 62 1HB ASN 62 -9.131 1.362 2.996 446 1HD2 ASN 62 1HD2 ASN 62 -6.531 0.462 1.836 447 2HD2 ASN 62 2HD2 ASN 62 -5.668 -0.261 3.158 448 HA PRO 63 HA PRO 63 -10.535 -4.060 0.766 449 1HB PRO 63 2HB PRO 63 -13.304 -3.743 -0.049 450 2HB PRO 63 1HB PRO 63 -12.587 -5.017 0.947 451 1HG PRO 63 2HG PRO 63 -14.327 -3.156 1.921 452 2HG PRO 63 1HG PRO 63 -13.079 -3.936 2.910 453 1HD PRO 63 2HD PRO 63 -13.058 -1.223 1.624 454 2HD PRO 63 1HD PRO 63 -12.502 -1.709 3.243 455 H ASN 64 H ASN 64 -12.854 -1.655 -0.511 456 HA ASN 64 HA ASN 64 -11.680 -1.833 -3.134 457 1HB ASN 64 2HB ASN 64 -14.081 -1.437 -2.892 458 2HB ASN 64 1HB ASN 64 -13.766 0.062 -2.028 459 1HD2 ASN 64 1HD2 ASN 64 -13.625 -1.546 -5.126 460 2HD2 ASN 64 2HD2 ASN 64 -13.514 -0.103 -6.083 461 H ASN 65 H ASN 65 -11.423 0.273 -0.352 462 HA ASN 65 HA ASN 65 -10.490 2.575 -1.697 463 1HB ASN 65 2HB ASN 65 -9.798 1.888 1.144 464 2HB ASN 65 1HB ASN 65 -10.016 3.472 0.430 465 1HD2 ASN 65 1HD2 ASN 65 -11.552 4.193 1.849 466 2HD2 ASN 65 2HD2 ASN 65 -13.146 3.523 1.945 467 H ALA 66 H ALA 66 -8.951 -0.307 -0.548 468 HA ALA 66 HA ALA 66 -6.278 0.700 -0.706 469 1HB ALA 66 1HB ALA 66 -6.880 -1.145 0.787 470 2HB ALA 66 2HB ALA 66 -5.586 -1.590 -0.326 471 3HB ALA 66 3HB ALA 66 -7.232 -2.155 -0.614 472 H GLU 67 H GLU 67 -8.388 -1.198 -2.836 473 HA GLU 67 HA GLU 67 -6.355 -1.478 -4.863 474 1HB GLU 67 2HB GLU 67 -9.346 -1.854 -5.090 475 2HB GLU 67 1HB GLU 67 -8.148 -2.365 -6.271 476 1HG GLU 67 2HG GLU 67 -7.155 -3.771 -4.415 477 2HG GLU 67 1HG GLU 67 -8.643 -3.448 -3.525 478 H ALA 68 H ALA 68 -8.672 0.842 -3.964 479 HA ALA 68 HA ALA 68 -8.788 2.255 -6.461 480 1HB ALA 68 1HB ALA 68 -9.613 3.010 -3.659 481 2HB ALA 68 2HB ALA 68 -10.644 2.314 -4.910 482 3HB ALA 68 3HB ALA 68 -9.992 3.941 -5.112 483 H LEU 69 H LEU 69 -6.646 2.050 -3.859 484 HA LEU 69 HA LEU 69 -5.645 4.645 -3.646 485 1HB LEU 69 2HB LEU 69 -5.258 2.830 -2.028 486 2HB LEU 69 1HB LEU 69 -4.216 2.028 -3.188 487 HG LEU 69 HG LEU 69 -2.702 4.006 -3.108 488 1HD1 LEU 69 1HD1 LEU 69 -2.955 5.564 -1.234 489 2HD1 LEU 69 2HD1 LEU 69 -4.504 4.819 -0.831 490 3HD1 LEU 69 3HD1 LEU 69 -4.304 5.669 -2.364 491 1HD2 LEU 69 1HD2 LEU 69 -1.727 3.421 -0.959 492 2HD2 LEU 69 2HD2 LEU 69 -2.286 1.974 -1.801 493 3HD2 LEU 69 3HD2 LEU 69 -3.232 2.642 -0.469 494 HA PRO 70 HA PRO 70 -2.076 3.410 -6.697 495 1HB PRO 70 2HB PRO 70 -2.573 1.328 -8.395 496 2HB PRO 70 1HB PRO 70 -1.728 1.155 -6.850 497 1HG PRO 70 2HG PRO 70 -4.597 0.627 -7.513 498 2HG PRO 70 1HG PRO 70 -3.478 -0.343 -6.537 499 1HD PRO 70 2HD PRO 70 -5.306 1.260 -5.406 500 2HD PRO 70 1HD PRO 70 -3.697 1.034 -4.690 501 H GLY 71 H GLY 71 -5.440 3.238 -7.504 502 1HA GLY 71 2HA GLY 71 -5.322 3.664 -10.281 503 2HA GLY 71 1HA GLY 71 -6.686 4.062 -9.246 504 H LYS 72 H LYS 72 -5.501 5.989 -7.606 505 HA LYS 72 HA LYS 72 -5.548 8.213 -9.439 506 1HB LYS 72 2HB LYS 72 -5.767 7.903 -6.490 507 2HB LYS 72 1HB LYS 72 -5.256 9.463 -7.122 508 1HG LYS 72 2HG LYS 72 -7.619 9.514 -6.812 509 2HG LYS 72 1HG LYS 72 -7.289 9.494 -8.543 510 1HD LYS 72 2HD LYS 72 -9.020 7.960 -8.326 511 2HD LYS 72 1HD LYS 72 -7.581 6.931 -8.328 512 1HE LYS 72 2HE LYS 72 -7.650 6.738 -5.936 513 2HE LYS 72 1HE LYS 72 -8.964 7.916 -5.837 514 1HZ LYS 72 1HZ LYS 72 -9.109 5.223 -7.094 515 2HZ LYS 72 2HZ LYS 72 -10.362 6.364 -7.098 516 3HZ LYS 72 3HZ LYS 72 -9.834 5.699 -5.637 517 H CYS 73 H CYS 73 -3.119 6.410 -9.250 518 HA CYS 73 HA CYS 73 -1.315 8.686 -9.427 519 1HB CYS 73 2HB CYS 73 -1.078 7.470 -7.144 520 2HB CYS 73 1HB CYS 73 -0.276 6.210 -8.075 521 H GLY 74 H GLY 74 -1.977 5.283 -10.126 522 1HA GLY 74 2HA GLY 74 -1.932 4.639 -12.457 523 2HA GLY 74 1HA GLY 74 -0.551 5.709 -12.674 524 H VAL 75 H VAL 75 -0.341 4.005 -9.795 525 HA VAL 75 HA VAL 75 1.766 2.356 -10.887 526 HB VAL 75 HB VAL 75 2.007 1.670 -8.396 527 1HG1 VAL 75 1HG1 VAL 75 2.528 4.502 -9.302 528 2HG1 VAL 75 2HG1 VAL 75 3.576 3.110 -9.582 529 3HG1 VAL 75 3HG1 VAL 75 3.313 3.698 -7.940 530 1HG2 VAL 75 1HG2 VAL 75 -0.162 2.520 -7.644 531 2HG2 VAL 75 2HG2 VAL 75 0.312 4.154 -8.108 532 3HG2 VAL 75 3HG2 VAL 75 1.163 3.326 -6.805 533 H ASN 76 H ASN 76 0.692 0.841 -12.078 534 HA ASN 76 HA ASN 76 -1.322 -0.825 -10.793 535 1HB ASN 76 2HB ASN 76 -1.761 0.088 -13.071 536 2HB ASN 76 1HB ASN 76 -0.384 -0.836 -13.673 537 1HD2 ASN 76 1HD2 ASN 76 -0.562 -3.073 -13.893 538 2HD2 ASN 76 2HD2 ASN 76 -2.095 -3.886 -13.818 539 H ILE 77 H ILE 77 -0.357 -2.266 -9.546 540 HA ILE 77 HA ILE 77 1.925 -3.786 -10.561 541 HB ILE 77 HB ILE 77 2.351 -4.539 -8.342 542 1HG1 ILE 77 2HG1 ILE 77 0.021 -4.919 -7.605 543 2HG1 ILE 77 1HG1 ILE 77 0.965 -4.046 -6.411 544 1HG2 ILE 77 1HG2 ILE 77 2.711 -2.427 -7.158 545 2HG2 ILE 77 2HG2 ILE 77 1.648 -1.618 -8.310 546 3HG2 ILE 77 3HG2 ILE 77 3.165 -2.332 -8.861 547 1HD1 ILE 77 1HD1 ILE 77 -0.110 -1.936 -7.350 548 2HD1 ILE 77 2HD1 ILE 77 -1.128 -3.022 -6.409 549 3HD1 ILE 77 3HD1 ILE 77 -1.237 -3.019 -8.168 550 HA PRO 78 HA PRO 78 -0.415 -7.418 -11.328 551 1HB PRO 78 2HB PRO 78 1.771 -9.101 -10.373 552 2HB PRO 78 1HB PRO 78 1.187 -8.857 -12.024 553 1HG PRO 78 2HG PRO 78 3.582 -7.927 -11.160 554 2HG PRO 78 1HG PRO 78 2.627 -7.113 -12.414 555 1HD PRO 78 2HD PRO 78 2.909 -6.442 -9.509 556 2HD PRO 78 1HD PRO 78 2.849 -5.360 -10.918 557 H TYR 79 H TYR 79 1.108 -7.136 -8.170 558 HA TYR 79 HA TYR 79 -0.530 -9.296 -7.100 559 1HB TYR 79 2HB TYR 79 0.701 -8.863 -4.967 560 2HB TYR 79 1HB TYR 79 1.740 -9.298 -6.315 561 HD1 TYR 79 1HD TYR 79 0.504 -6.407 -4.350 562 HD2 TYR 79 2HD TYR 79 3.537 -7.902 -6.938 563 HE1 TYR 79 1HE TYR 79 1.831 -4.380 -3.950 564 HE2 TYR 79 2HE TYR 79 4.875 -5.872 -6.544 565 HH TYR 79 HH TYR 79 4.555 -3.564 -5.824 566 H LYS 80 H LYS 80 -1.376 -8.691 -4.717 567 HA LYS 80 HA LYS 80 -2.869 -6.182 -5.029 568 1HB LYS 80 2HB LYS 80 -3.922 -8.904 -4.323 569 2HB LYS 80 1HB LYS 80 -4.803 -7.434 -3.918 570 1HG LYS 80 2HG LYS 80 -4.059 -8.427 -6.658 571 2HG LYS 80 1HG LYS 80 -5.676 -8.266 -5.966 572 1HD LYS 80 2HD LYS 80 -5.330 -5.826 -5.813 573 2HD LYS 80 1HD LYS 80 -3.759 -6.021 -6.595 574 1HE LYS 80 2HE LYS 80 -5.393 -5.327 -8.229 575 2HE LYS 80 1HE LYS 80 -4.893 -6.985 -8.561 576 1HZ LYS 80 1HZ LYS 80 -7.322 -6.595 -8.730 577 2HZ LYS 80 2HZ LYS 80 -7.361 -6.271 -7.067 578 3HZ LYS 80 3HZ LYS 80 -6.909 -7.811 -7.624 579 H ILE 81 H ILE 81 -4.232 -5.897 -2.883 580 HA ILE 81 HA ILE 81 -2.192 -5.601 -0.814 581 HB ILE 81 HB ILE 81 -4.015 -4.055 0.191 582 1HG1 ILE 81 2HG1 ILE 81 -5.447 -3.008 -1.600 583 2HG1 ILE 81 1HG1 ILE 81 -5.010 -4.341 -2.655 584 1HG2 ILE 81 1HG2 ILE 81 -1.931 -3.252 -0.733 585 2HG2 ILE 81 2HG2 ILE 81 -3.253 -2.192 -1.221 586 3HG2 ILE 81 3HG2 ILE 81 -2.587 -3.356 -2.367 587 1HD1 ILE 81 1HD1 ILE 81 -6.073 -5.903 -1.109 588 2HD1 ILE 81 2HD1 ILE 81 -7.199 -4.672 -1.675 589 3HD1 ILE 81 3HD1 ILE 81 -6.509 -4.558 -0.054 590 H SER 82 H SER 82 -4.290 -7.886 -1.523 591 HA SER 82 HA SER 82 -5.929 -8.148 0.761 592 1HB SER 82 2HB SER 82 -6.195 -10.516 -0.074 593 2HB SER 82 1HB SER 82 -6.568 -9.258 -1.255 594 HG SER 82 HG SER 82 -3.925 -10.036 -1.259 595 H THR 83 H THR 83 -5.813 -9.732 2.433 596 HA THR 83 HA THR 83 -3.275 -9.973 3.665 597 HB THR 83 HB THR 83 -4.538 -11.558 5.226 598 HG1 THR 83 1HG THR 83 -6.984 -10.742 4.522 599 1HG2 THR 83 1HG2 THR 83 -5.851 -9.741 6.230 600 2HG2 THR 83 2HG2 THR 83 -5.658 -8.792 4.757 601 3HG2 THR 83 3HG2 THR 83 -4.251 -9.188 5.743 602 H SER 84 H SER 84 -4.741 -11.798 1.218 603 HA SER 84 HA SER 84 -3.221 -14.219 1.864 604 1HB SER 84 2HB SER 84 -5.695 -14.328 1.295 605 2HB SER 84 1HB SER 84 -5.254 -13.855 -0.347 606 HG SER 84 HG SER 84 -5.114 -16.283 0.852 607 H THR 85 H THR 85 -2.421 -11.486 0.527 608 HA THR 85 HA THR 85 -1.516 -12.166 -2.086 609 HB THR 85 HB THR 85 -0.625 -9.945 -0.233 610 HG1 THR 85 1HG THR 85 -2.023 -8.707 -1.665 611 1HG2 THR 85 1HG2 THR 85 1.047 -10.373 -1.973 612 2HG2 THR 85 2HG2 THR 85 0.220 -8.838 -2.246 613 3HG2 THR 85 3HG2 THR 85 -0.207 -10.252 -3.211 614 H ASN 86 H ASN 86 0.420 -12.879 -2.787 615 HA ASN 86 HA ASN 86 2.145 -14.326 -1.103 616 1HB ASN 86 2HB ASN 86 1.937 -14.801 -3.496 617 2HB ASN 86 1HB ASN 86 2.621 -13.226 -3.886 618 1HD2 ASN 86 1HD2 ASN 86 3.289 -16.419 -2.685 619 2HD2 ASN 86 2HD2 ASN 86 5.017 -16.324 -2.842 620 H CYS 87 H CYS 87 3.690 -13.640 0.215 621 HA CYS 87 HA CYS 87 4.772 -10.930 -0.211 622 1HB CYS 87 2HB CYS 87 3.253 -10.876 1.668 623 2HB CYS 87 1HB CYS 87 4.037 -12.281 2.396 624 H ASN 88 H ASN 88 5.428 -14.222 0.844 625 HA ASN 88 HA ASN 88 8.162 -13.558 1.554 626 1HB ASN 88 2HB ASN 88 8.352 -15.951 2.168 627 2HB ASN 88 1HB ASN 88 7.009 -15.144 2.973 628 1HD2 ASN 88 1HD2 ASN 88 7.928 -17.501 0.584 629 2HD2 ASN 88 2HD2 ASN 88 6.352 -18.216 0.402 630 H SER 89 H SER 89 6.951 -13.652 -1.315 631 HA SER 89 HA SER 89 9.330 -14.953 -2.429 632 1HB SER 89 2HB SER 89 6.590 -15.143 -3.699 633 2HB SER 89 1HB SER 89 8.077 -15.912 -4.257 634 HG SER 89 HG SER 89 7.852 -16.704 -1.814 635 H ILE 90 H ILE 90 6.594 -13.382 -4.004 636 HA ILE 90 HA ILE 90 6.672 -11.933 -5.787 637 HB ILE 90 HB ILE 90 7.186 -9.561 -4.817 638 1HG1 ILE 90 2HG1 ILE 90 6.998 -11.260 -2.314 639 2HG1 ILE 90 1HG1 ILE 90 8.370 -10.261 -2.797 640 1HG2 ILE 90 1HG2 ILE 90 4.927 -9.539 -3.848 641 2HG2 ILE 90 2HG2 ILE 90 4.912 -11.304 -3.894 642 3HG2 ILE 90 3HG2 ILE 90 4.996 -10.383 -5.397 643 1HD1 ILE 90 1HD1 ILE 90 7.123 -9.166 -1.061 644 2HD1 ILE 90 2HD1 ILE 90 5.634 -9.293 -1.998 645 3HD1 ILE 90 3HD1 ILE 90 6.949 -8.264 -2.567 646 H ASN 91 H ASN 91 9.178 -10.091 -4.239 647 HA ASN 91 HA ASN 91 11.261 -9.475 -4.802 648 1HB ASN 91 2HB ASN 91 11.801 -11.879 -4.897 649 2HB ASN 91 1HB ASN 91 11.267 -11.931 -6.576 650 1HD2 ASN 91 1HD2 ASN 91 12.539 -10.969 -8.166 651 2HD2 ASN 91 2HD2 ASN 91 14.193 -10.548 -7.891 Start of MODEL 15 1 1H MET 1 1HT MET 1 12.623 5.295 7.352 2 2H MET 1 2HT MET 1 11.379 4.524 6.500 3 3H MET 1 3HT MET 1 12.982 4.384 5.965 4 HA MET 1 HA MET 1 13.564 3.229 8.019 5 1HB MET 1 2HB MET 1 11.798 4.148 9.436 6 2HB MET 1 1HB MET 1 10.573 3.335 8.468 7 1HG MET 1 2HG MET 1 11.812 1.167 9.139 8 2HG MET 1 1HG MET 1 12.528 2.165 10.409 9 1HE MET 1 1HE MET 1 9.788 -0.267 9.684 10 2HE MET 1 2HE MET 1 9.191 -0.254 11.346 11 3HE MET 1 3HE MET 1 10.917 -0.428 11.033 12 H THR 2 H THR 2 10.470 1.786 7.537 13 HA THR 2 HA THR 2 11.045 0.216 5.240 14 HB THR 2 HB THR 2 10.890 -1.946 6.792 15 HG1 THR 2 1HG THR 2 12.772 -1.069 8.417 16 1HG2 THR 2 1HG2 THR 2 13.410 -0.468 6.061 17 2HG2 THR 2 2HG2 THR 2 12.545 -1.637 5.068 18 3HG2 THR 2 3HG2 THR 2 13.355 -2.166 6.545 19 H CYS 3 H CYS 3 9.536 -1.250 8.045 20 HA CYS 3 HA CYS 3 6.951 -1.318 6.983 21 1HB CYS 3 2HB CYS 3 7.627 -2.737 8.868 22 2HB CYS 3 1HB CYS 3 7.815 -1.313 9.890 23 H GLY 4 H GLY 4 8.745 1.089 8.700 24 1HA GLY 4 2HA GLY 4 6.583 2.910 9.138 25 2HA GLY 4 1HA GLY 4 8.296 3.305 9.173 26 H GLN 5 H GLN 5 8.707 2.211 6.455 27 HA GLN 5 HA GLN 5 8.037 4.607 5.016 28 1HB GLN 5 2HB GLN 5 9.605 3.961 3.468 29 2HB GLN 5 1HB GLN 5 10.179 3.024 4.841 30 1HG GLN 5 2HG GLN 5 8.968 1.066 3.954 31 2HG GLN 5 1HG GLN 5 8.528 2.021 2.536 32 1HE2 GLN 5 1HE2 GLN 5 9.655 0.596 1.173 33 2HE2 GLN 5 2HE2 GLN 5 11.394 0.618 1.088 34 H VAL 6 H VAL 6 6.983 1.276 5.169 35 HA VAL 6 HA VAL 6 5.111 1.270 3.064 36 HB VAL 6 HB VAL 6 4.745 -0.105 5.743 37 1HG1 VAL 6 1HG1 VAL 6 3.534 -1.785 4.474 38 2HG1 VAL 6 2HG1 VAL 6 3.805 -0.869 2.989 39 3HG1 VAL 6 3HG1 VAL 6 2.808 -0.187 4.278 40 1HG2 VAL 6 1HG2 VAL 6 6.865 -0.835 5.201 41 2HG2 VAL 6 2HG2 VAL 6 6.526 -0.834 3.466 42 3HG2 VAL 6 3HG2 VAL 6 5.818 -2.077 4.498 43 H GLN 7 H GLN 7 4.878 2.181 6.474 44 HA GLN 7 HA GLN 7 2.177 2.811 6.593 45 1HB GLN 7 2HB GLN 7 3.757 2.662 8.536 46 2HB GLN 7 1HB GLN 7 4.416 4.224 8.058 47 1HG GLN 7 2HG GLN 7 2.877 4.578 9.833 48 2HG GLN 7 1HG GLN 7 2.156 5.202 8.349 49 1HE2 GLN 7 1HE2 GLN 7 2.354 1.800 9.168 50 2HE2 GLN 7 2HE2 GLN 7 0.653 1.558 9.378 51 H GLY 8 H GLY 8 4.951 4.758 5.565 52 1HA GLY 8 2HA GLY 8 3.582 7.200 5.243 53 2HA GLY 8 1HA GLY 8 5.074 6.757 4.436 54 H ASN 9 H ASN 9 3.387 4.342 3.401 55 HA ASN 9 HA ASN 9 2.392 5.599 0.990 56 1HB ASN 9 2HB ASN 9 3.524 3.415 0.865 57 2HB ASN 9 1HB ASN 9 2.327 2.720 1.947 58 1HD2 ASN 9 1HD2 ASN 9 3.122 1.969 -0.759 59 2HD2 ASN 9 2HD2 ASN 9 1.668 1.999 -1.701 60 H LEU 10 H LEU 10 0.936 3.448 3.444 61 HA LEU 10 HA LEU 10 -1.670 4.023 2.378 62 1HB LEU 10 2HB LEU 10 -0.825 2.270 4.671 63 2HB LEU 10 1HB LEU 10 -2.459 2.374 4.037 64 HG LEU 10 HG LEU 10 -0.019 1.314 2.617 65 1HD1 LEU 10 1HD1 LEU 10 -1.331 -0.744 2.508 66 2HD1 LEU 10 2HD1 LEU 10 -2.626 0.034 3.418 67 3HD1 LEU 10 3HD1 LEU 10 -1.056 -0.235 4.171 68 1HD2 LEU 10 1HD2 LEU 10 -1.327 2.628 1.051 69 2HD2 LEU 10 2HD2 LEU 10 -2.794 1.778 1.537 70 3HD2 LEU 10 3HD2 LEU 10 -1.502 0.909 0.710 71 H ALA 11 H ALA 11 0.149 5.093 5.169 72 HA ALA 11 HA ALA 11 -2.022 5.847 6.810 73 1HB ALA 11 1HB ALA 11 0.244 5.716 7.684 74 2HB ALA 11 2HB ALA 11 -0.421 7.328 7.948 75 3HB ALA 11 3HB ALA 11 0.742 7.053 6.648 76 H GLN 12 H GLN 12 -0.628 7.252 3.998 77 HA GLN 12 HA GLN 12 -1.704 9.889 4.442 78 1HB GLN 12 2HB GLN 12 -0.436 8.644 2.002 79 2HB GLN 12 1HB GLN 12 -0.798 10.354 2.201 80 1HG GLN 12 2HG GLN 12 1.058 8.804 3.990 81 2HG GLN 12 1HG GLN 12 1.582 9.750 2.597 82 1HE2 GLN 12 1HE2 GLN 12 1.602 11.960 2.721 83 2HE2 GLN 12 2HE2 GLN 12 1.343 12.835 4.193 84 H CYS 13 H CYS 13 -2.694 6.961 2.868 85 HA CYS 13 HA CYS 13 -4.947 8.360 1.624 86 1HB CYS 13 2HB CYS 13 -3.620 5.743 1.120 87 2HB CYS 13 1HB CYS 13 -5.340 5.879 0.754 88 H ILE 14 H ILE 14 -4.237 6.718 4.453 89 HA ILE 14 HA ILE 14 -6.531 5.210 4.956 90 HB ILE 14 HB ILE 14 -4.580 6.682 6.664 91 1HG1 ILE 14 2HG1 ILE 14 -5.705 3.871 6.727 92 2HG1 ILE 14 1HG1 ILE 14 -4.221 4.368 5.911 93 1HG2 ILE 14 1HG2 ILE 14 -7.169 5.652 7.813 94 2HG2 ILE 14 2HG2 ILE 14 -6.706 7.352 7.673 95 3HG2 ILE 14 3HG2 ILE 14 -5.790 6.265 8.726 96 1HD1 ILE 14 1HD1 ILE 14 -3.742 3.283 8.025 97 2HD1 ILE 14 2HD1 ILE 14 -4.724 4.470 8.878 98 3HD1 ILE 14 3HD1 ILE 14 -3.242 4.973 8.065 99 H GLY 15 H GLY 15 -6.043 8.730 5.160 100 1HA GLY 15 2HA GLY 15 -8.676 9.228 6.166 101 2HA GLY 15 1HA GLY 15 -7.555 10.432 5.588 102 H PHE 16 H PHE 16 -8.443 7.697 3.777 103 HA PHE 16 HA PHE 16 -10.674 8.899 2.377 104 1HB PHE 16 2HB PHE 16 -9.100 9.739 0.909 105 2HB PHE 16 1HB PHE 16 -7.929 8.494 1.337 106 HD1 PHE 16 1HD PHE 16 -10.749 9.387 -0.837 107 HD2 PHE 16 2HD PHE 16 -7.924 6.366 0.164 108 HE1 PHE 16 1HE PHE 16 -11.304 8.183 -2.907 109 HE2 PHE 16 2HE PHE 16 -8.469 5.164 -1.907 110 HZ PHE 16 HZ PHE 16 -10.154 6.133 -3.484 111 H LEU 17 H LEU 17 -8.268 6.402 2.548 112 HA LEU 17 HA LEU 17 -9.327 4.078 1.749 113 1HB LEU 17 2HB LEU 17 -7.190 4.844 3.128 114 2HB LEU 17 1HB LEU 17 -8.131 4.273 4.490 115 HG LEU 17 HG LEU 17 -8.211 2.059 3.493 116 1HD1 LEU 17 1HD1 LEU 17 -6.798 1.531 1.554 117 2HD1 LEU 17 2HD1 LEU 17 -6.413 3.247 1.382 118 3HD1 LEU 17 3HD1 LEU 17 -8.069 2.679 1.132 119 1HD2 LEU 17 1HD2 LEU 17 -5.846 1.495 3.809 120 2HD2 LEU 17 2HD2 LEU 17 -6.453 2.578 5.059 121 3HD2 LEU 17 3HD2 LEU 17 -5.452 3.212 3.755 122 H GLN 18 H GLN 18 -9.778 5.402 5.033 123 HA GLN 18 HA GLN 18 -11.897 3.590 5.671 124 1HB GLN 18 2HB GLN 18 -10.026 4.700 7.102 125 2HB GLN 18 1HB GLN 18 -11.134 6.055 7.183 126 1HG GLN 18 2HG GLN 18 -11.814 3.269 8.056 127 2HG GLN 18 1HG GLN 18 -11.171 4.538 9.083 128 1HE2 GLN 18 1HE2 GLN 18 -13.950 3.392 7.371 129 2HE2 GLN 18 2HE2 GLN 18 -15.081 4.500 8.068 130 H LYS 19 H LYS 19 -11.723 7.121 5.825 131 HA LYS 19 HA LYS 19 -14.440 7.622 6.028 132 1HB LYS 19 2HB LYS 19 -12.400 9.445 4.750 133 2HB LYS 19 1HB LYS 19 -13.943 9.928 5.439 134 1HG LYS 19 2HG LYS 19 -13.104 9.077 7.651 135 2HG LYS 19 1HG LYS 19 -11.520 8.898 6.891 136 1HD LYS 19 2HD LYS 19 -13.102 11.454 7.145 137 2HD LYS 19 1HD LYS 19 -11.661 11.022 8.065 138 1HE LYS 19 2HE LYS 19 -10.328 11.027 6.050 139 2HE LYS 19 1HE LYS 19 -11.760 11.318 5.066 140 1HZ LYS 19 1HZ LYS 19 -10.556 13.354 5.386 141 2HZ LYS 19 2HZ LYS 19 -10.596 13.175 7.074 142 3HZ LYS 19 3HZ LYS 19 -12.033 13.451 6.210 143 H GLY 20 H GLY 20 -12.516 8.197 3.080 144 1HA GLY 20 2HA GLY 20 -13.287 7.481 0.903 145 2HA GLY 20 1HA GLY 20 -14.939 7.641 1.497 146 H GLY 21 H GLY 21 -12.177 9.303 0.199 147 1HA GLY 21 2HA GLY 21 -13.850 11.606 -0.404 148 2HA GLY 21 1HA GLY 21 -12.463 11.916 0.636 149 H VAL 22 H VAL 22 -10.391 11.872 -0.230 150 HA VAL 22 HA VAL 22 -10.136 11.445 -3.107 151 HB VAL 22 HB VAL 22 -10.703 13.821 -2.870 152 1HG1 VAL 22 1HG1 VAL 22 -9.177 15.361 -1.708 153 2HG1 VAL 22 2HG1 VAL 22 -8.256 13.978 -1.116 154 3HG1 VAL 22 3HG1 VAL 22 -9.929 14.205 -0.607 155 1HG2 VAL 22 1HG2 VAL 22 -9.231 13.238 -4.686 156 2HG2 VAL 22 2HG2 VAL 22 -7.825 13.311 -3.621 157 3HG2 VAL 22 3HG2 VAL 22 -8.719 14.784 -4.008 158 H VAL 23 H VAL 23 -8.049 10.969 -3.785 159 HA VAL 23 HA VAL 23 -6.150 10.264 -1.690 160 HB VAL 23 HB VAL 23 -6.102 9.783 -4.676 161 1HG1 VAL 23 1HG1 VAL 23 -4.156 8.840 -2.570 162 2HG1 VAL 23 2HG1 VAL 23 -3.825 10.014 -3.843 163 3HG1 VAL 23 3HG1 VAL 23 -4.169 8.336 -4.261 164 1HG2 VAL 23 1HG2 VAL 23 -6.541 7.910 -2.352 165 2HG2 VAL 23 2HG2 VAL 23 -6.460 7.442 -4.053 166 3HG2 VAL 23 3HG2 VAL 23 -7.772 8.477 -3.482 167 HA PRO 24 HA PRO 24 -4.059 14.156 -2.448 168 1HB PRO 24 2HB PRO 24 -2.277 13.939 -0.438 169 2HB PRO 24 1HB PRO 24 -3.980 14.309 -0.140 170 1HG PRO 24 2HG PRO 24 -2.537 11.700 0.111 171 2HG PRO 24 1HG PRO 24 -3.744 12.424 1.196 172 1HD PRO 24 2HD PRO 24 -4.326 10.489 -0.651 173 2HD PRO 24 1HD PRO 24 -5.501 11.687 -0.075 174 HA PRO 25 HA PRO 25 -0.490 12.986 -4.869 175 1HB PRO 25 2HB PRO 25 0.698 15.556 -4.008 176 2HB PRO 25 1HB PRO 25 0.324 14.980 -5.639 177 1HG PRO 25 2HG PRO 25 -1.138 16.894 -4.470 178 2HG PRO 25 1HG PRO 25 -1.880 15.674 -5.521 179 1HD PRO 25 2HD PRO 25 -1.852 15.842 -2.533 180 2HD PRO 25 1HD PRO 25 -3.168 15.365 -3.624 181 H SER 26 H SER 26 -0.512 13.517 -1.580 182 HA SER 26 HA SER 26 2.310 13.185 -1.050 183 1HB SER 26 2HB SER 26 0.011 12.982 0.912 184 2HB SER 26 1HB SER 26 1.702 13.360 1.265 185 HG SER 26 HG SER 26 1.402 15.373 0.675 186 H CYS 27 H CYS 27 -0.704 11.433 -0.560 187 HA CYS 27 HA CYS 27 0.317 8.956 0.202 188 1HB CYS 27 2HB CYS 27 -2.089 9.522 0.253 189 2HB CYS 27 1HB CYS 27 -2.110 9.522 -1.514 190 H CYS 28 H CYS 28 -0.489 10.217 -3.029 191 HA CYS 28 HA CYS 28 0.217 7.946 -4.415 192 1HB CYS 28 2HB CYS 28 -0.274 10.732 -5.153 193 2HB CYS 28 1HB CYS 28 0.737 9.830 -6.282 194 H THR 29 H THR 29 2.255 10.543 -3.298 195 HA THR 29 HA THR 29 4.556 9.753 -4.735 196 HB THR 29 HB THR 29 4.264 11.316 -2.158 197 HG1 THR 29 1HG THR 29 3.495 12.576 -3.763 198 1HG2 THR 29 1HG2 THR 29 6.578 12.061 -2.529 199 2HG2 THR 29 2HG2 THR 29 6.715 10.937 -3.880 200 3HG2 THR 29 3HG2 THR 29 6.488 10.323 -2.242 201 H GLY 30 H GLY 30 3.272 8.925 -1.535 202 1HA GLY 30 2HA GLY 30 5.488 7.277 -0.785 203 2HA GLY 30 1HA GLY 30 3.908 7.322 -0.004 204 H VAL 31 H VAL 31 2.377 6.679 -2.334 205 HA VAL 31 HA VAL 31 2.448 3.874 -2.268 206 HB VAL 31 HB VAL 31 1.202 5.603 -4.423 207 1HG1 VAL 31 1HG1 VAL 31 -0.297 3.691 -4.773 208 2HG1 VAL 31 2HG1 VAL 31 0.618 2.769 -3.575 209 3HG1 VAL 31 3HG1 VAL 31 1.390 3.272 -5.081 210 1HG2 VAL 31 1HG2 VAL 31 -0.011 4.549 -1.870 211 2HG2 VAL 31 2HG2 VAL 31 -0.870 5.417 -3.144 212 3HG2 VAL 31 3HG2 VAL 31 0.385 6.234 -2.213 213 H LYS 32 H LYS 32 3.338 6.053 -4.971 214 HA LYS 32 HA LYS 32 4.436 3.977 -6.540 215 1HB LYS 32 2HB LYS 32 5.409 5.721 -7.927 216 2HB LYS 32 1HB LYS 32 3.750 6.117 -7.510 217 1HG LYS 32 2HG LYS 32 4.542 7.681 -5.812 218 2HG LYS 32 1HG LYS 32 6.212 7.277 -6.220 219 1HD LYS 32 2HD LYS 32 5.494 9.360 -7.299 220 2HD LYS 32 1HD LYS 32 5.874 8.109 -8.486 221 1HE LYS 32 2HE LYS 32 3.464 7.588 -8.649 222 2HE LYS 32 1HE LYS 32 3.128 8.917 -7.540 223 1HZ LYS 32 1HZ LYS 32 4.020 10.466 -9.129 224 2HZ LYS 32 2HZ LYS 32 2.830 9.522 -9.883 225 3HZ LYS 32 3HZ LYS 32 4.470 9.210 -10.177 226 H ASN 33 H ASN 33 5.618 5.537 -3.770 227 HA ASN 33 HA ASN 33 8.392 5.006 -4.224 228 1HB ASN 33 2HB ASN 33 7.541 6.676 -2.550 229 2HB ASN 33 1HB ASN 33 6.951 5.332 -1.574 230 1HD2 ASN 33 1HD2 ASN 33 8.875 7.377 -0.898 231 2HD2 ASN 33 2HD2 ASN 33 10.341 6.557 -0.488 232 H ILE 34 H ILE 34 6.056 3.485 -1.960 233 HA ILE 34 HA ILE 34 7.588 1.258 -1.387 234 HB ILE 34 HB ILE 34 4.784 2.040 -1.062 235 1HG1 ILE 34 2HG1 ILE 34 5.237 1.589 1.194 236 2HG1 ILE 34 1HG1 ILE 34 6.508 0.434 0.805 237 1HG2 ILE 34 1HG2 ILE 34 3.974 -0.159 -0.367 238 2HG2 ILE 34 2HG2 ILE 34 5.467 -0.898 -0.940 239 3HG2 ILE 34 3HG2 ILE 34 4.366 -0.135 -2.089 240 1HD1 ILE 34 1HD1 ILE 34 6.636 3.423 0.474 241 2HD1 ILE 34 2HD1 ILE 34 7.904 2.291 -0.018 242 3HD1 ILE 34 3HD1 ILE 34 7.471 2.455 1.692 243 H LEU 35 H LEU 35 5.754 1.857 -4.270 244 HA LEU 35 HA LEU 35 6.096 -0.900 -5.110 245 1HB LEU 35 2HB LEU 35 4.780 1.486 -6.346 246 2HB LEU 35 1HB LEU 35 5.119 0.061 -7.301 247 HG LEU 35 HG LEU 35 3.080 -0.581 -6.705 248 1HD1 LEU 35 1HD1 LEU 35 4.375 -1.042 -4.024 249 2HD1 LEU 35 2HD1 LEU 35 4.436 -2.134 -5.410 250 3HD1 LEU 35 3HD1 LEU 35 2.899 -1.818 -4.603 251 1HD2 LEU 35 1HD2 LEU 35 3.189 1.211 -4.292 252 2HD2 LEU 35 2HD2 LEU 35 1.764 0.367 -4.898 253 3HD2 LEU 35 3HD2 LEU 35 2.518 1.636 -5.866 254 H ASN 36 H ASN 36 6.859 2.181 -6.677 255 HA ASN 36 HA ASN 36 8.792 0.859 -8.356 256 1HB ASN 36 2HB ASN 36 7.237 2.704 -9.113 257 2HB ASN 36 1HB ASN 36 8.245 3.823 -8.197 258 1HD2 ASN 36 1HD2 ASN 36 8.038 1.742 -10.947 259 2HD2 ASN 36 2HD2 ASN 36 9.459 2.316 -11.758 260 H SER 37 H SER 37 8.930 3.474 -5.950 261 HA SER 37 HA SER 37 11.741 3.825 -6.292 262 1HB SER 37 2HB SER 37 9.922 4.919 -4.140 263 2HB SER 37 1HB SER 37 11.554 5.488 -4.510 264 HG SER 37 HG SER 37 9.176 6.006 -5.788 265 H SER 38 H SER 38 9.924 1.622 -4.439 266 HA SER 38 HA SER 38 11.786 1.232 -2.321 267 1HB SER 38 2HB SER 38 10.578 -0.909 -2.003 268 2HB SER 38 1HB SER 38 9.470 0.441 -2.181 269 HG SER 38 HG SER 38 8.604 -0.848 -3.616 270 H ARG 39 H ARG 39 13.814 0.369 -2.511 271 HA ARG 39 HA ARG 39 14.438 -0.812 -5.127 272 1HB ARG 39 2HB ARG 39 15.634 1.229 -4.755 273 2HB ARG 39 1HB ARG 39 16.193 0.674 -3.181 274 1HG ARG 39 2HG ARG 39 17.728 -0.799 -4.102 275 2HG ARG 39 1HG ARG 39 16.906 -0.841 -5.661 276 1HD ARG 39 2HD ARG 39 19.035 0.417 -5.707 277 2HD ARG 39 1HD ARG 39 17.637 1.383 -6.172 278 HE ARG 39 HE ARG 39 17.792 2.073 -3.646 279 1HH1 ARG 39 1HH1 ARG 39 20.477 1.470 -5.821 280 2HH1 ARG 39 2HH1 ARG 39 21.463 2.745 -5.154 281 1HH2 ARG 39 1HH2 ARG 39 19.109 3.730 -2.756 282 2HH2 ARG 39 2HH2 ARG 39 20.688 4.015 -3.422 283 H THR 40 H THR 40 15.385 -1.168 -1.699 284 HA THR 40 HA THR 40 17.005 -3.450 -2.435 285 HB THR 40 HB THR 40 17.812 -3.389 -0.141 286 HG1 THR 40 1HG THR 40 15.890 -1.296 0.237 287 1HG2 THR 40 1HG2 THR 40 17.598 -0.669 -1.435 288 2HG2 THR 40 2HG2 THR 40 18.858 -1.876 -1.707 289 3HG2 THR 40 3HG2 THR 40 18.725 -1.080 -0.137 290 H THR 41 H THR 41 17.013 -5.190 -0.526 291 HA THR 41 HA THR 41 14.627 -6.681 -0.780 292 HB THR 41 HB THR 41 16.761 -7.047 1.325 293 HG1 THR 41 1HG THR 41 16.977 -8.607 -0.921 294 1HG2 THR 41 1HG2 THR 41 16.112 -9.406 1.184 295 2HG2 THR 41 2HG2 THR 41 14.898 -9.002 -0.029 296 3HG2 THR 41 3HG2 THR 41 14.734 -8.395 1.618 297 H ALA 42 H ALA 42 16.002 -4.702 1.819 298 HA ALA 42 HA ALA 42 13.887 -5.143 3.665 299 1HB ALA 42 1HB ALA 42 15.838 -2.848 3.480 300 2HB ALA 42 2HB ALA 42 16.067 -4.339 4.392 301 3HB ALA 42 3HB ALA 42 14.802 -3.203 4.861 302 H ASP 43 H ASP 43 14.062 -3.415 0.785 303 HA ASP 43 HA ASP 43 11.999 -1.503 1.459 304 1HB ASP 43 2HB ASP 43 13.567 -2.134 -1.008 305 2HB ASP 43 1HB ASP 43 12.070 -1.235 -1.155 306 H ARG 44 H ARG 44 12.272 -4.460 -0.518 307 HA ARG 44 HA ARG 44 9.394 -4.209 -1.039 308 1HB ARG 44 2HB ARG 44 11.565 -5.582 -2.602 309 2HB ARG 44 1HB ARG 44 9.850 -5.799 -2.952 310 1HG ARG 44 2HG ARG 44 9.661 -3.332 -3.212 311 2HG ARG 44 1HG ARG 44 11.412 -3.229 -3.037 312 1HD ARG 44 2HD ARG 44 11.730 -4.560 -5.022 313 2HD ARG 44 1HD ARG 44 9.990 -4.826 -5.163 314 HE ARG 44 HE ARG 44 10.208 -2.125 -5.186 315 1HH1 ARG 44 1HH1 ARG 44 11.745 -4.658 -7.055 316 2HH1 ARG 44 2HH1 ARG 44 11.978 -3.658 -8.460 317 1HH2 ARG 44 1HH2 ARG 44 10.509 -0.809 -7.027 318 2HH2 ARG 44 2HH2 ARG 44 11.280 -1.461 -8.441 319 H ARG 45 H ARG 45 11.621 -6.230 0.629 320 HA ARG 45 HA ARG 45 9.621 -8.374 0.723 321 1HB ARG 45 2HB ARG 45 12.065 -8.917 0.387 322 2HB ARG 45 1HB ARG 45 12.354 -8.343 2.025 323 1HG ARG 45 2HG ARG 45 12.186 -10.736 2.047 324 2HG ARG 45 1HG ARG 45 10.775 -10.052 2.858 325 1HD ARG 45 2HD ARG 45 10.066 -11.853 1.425 326 2HD ARG 45 1HD ARG 45 9.490 -10.324 0.760 327 HE ARG 45 HE ARG 45 11.804 -11.840 -0.277 328 1HH1 ARG 45 1HH1 ARG 45 9.084 -9.679 -0.754 329 2HH1 ARG 45 2HH1 ARG 45 9.325 -9.552 -2.469 330 1HH2 ARG 45 1HH2 ARG 45 12.094 -11.688 -2.544 331 2HH2 ARG 45 2HH2 ARG 45 11.030 -10.682 -3.481 332 H ALA 46 H ALA 46 10.977 -5.808 2.625 333 HA ALA 46 HA ALA 46 9.627 -6.696 5.031 334 1HB ALA 46 1HB ALA 46 11.065 -4.109 4.459 335 2HB ALA 46 2HB ALA 46 11.766 -5.533 5.228 336 3HB ALA 46 3HB ALA 46 10.476 -4.640 6.034 337 H VAL 47 H VAL 47 8.982 -4.725 2.273 338 HA VAL 47 HA VAL 47 6.998 -3.093 3.469 339 HB VAL 47 HB VAL 47 8.109 -2.476 1.333 340 1HG1 VAL 47 1HG1 VAL 47 8.069 -4.672 0.239 341 2HG1 VAL 47 2HG1 VAL 47 7.346 -3.415 -0.766 342 3HG1 VAL 47 3HG1 VAL 47 6.314 -4.557 0.093 343 1HG2 VAL 47 1HG2 VAL 47 6.098 -1.578 0.257 344 2HG2 VAL 47 2HG2 VAL 47 6.075 -1.371 2.008 345 3HG2 VAL 47 3HG2 VAL 47 5.107 -2.639 1.256 346 H CYS 48 H CYS 48 6.850 -6.159 1.694 347 HA CYS 48 HA CYS 48 4.013 -6.264 1.673 348 1HB CYS 48 2HB CYS 48 4.419 -8.714 1.147 349 2HB CYS 48 1HB CYS 48 5.152 -7.552 0.047 350 H SER 49 H SER 49 6.487 -7.414 3.857 351 HA SER 49 HA SER 49 4.843 -8.908 5.581 352 1HB SER 49 2HB SER 49 7.316 -9.033 5.543 353 2HB SER 49 1HB SER 49 7.398 -7.405 6.211 354 HG SER 49 HG SER 49 7.362 -9.579 7.572 355 H CYS 50 H CYS 50 5.665 -5.467 5.485 356 HA CYS 50 HA CYS 50 4.176 -4.940 7.908 357 1HB CYS 50 2HB CYS 50 6.174 -3.607 7.409 358 2HB CYS 50 1HB CYS 50 5.419 -3.031 5.924 359 H LEU 51 H LEU 51 3.781 -4.440 4.419 360 HA LEU 51 HA LEU 51 1.441 -3.056 4.292 361 1HB LEU 51 2HB LEU 51 2.684 -3.772 2.322 362 2HB LEU 51 1HB LEU 51 2.269 -5.444 2.638 363 HG LEU 51 HG LEU 51 -0.134 -4.857 2.255 364 1HD1 LEU 51 1HD1 LEU 51 1.029 -2.246 1.301 365 2HD1 LEU 51 2HD1 LEU 51 -0.005 -2.471 2.711 366 3HD1 LEU 51 3HD1 LEU 51 -0.643 -2.771 1.097 367 1HD2 LEU 51 1HD2 LEU 51 1.747 -4.284 -0.026 368 2HD2 LEU 51 2HD2 LEU 51 0.062 -4.788 -0.162 369 3HD2 LEU 51 3HD2 LEU 51 1.258 -5.885 0.528 370 H LYS 52 H LYS 52 1.938 -6.419 5.111 371 HA LYS 52 HA LYS 52 -0.619 -7.432 5.109 372 1HB LYS 52 2HB LYS 52 1.231 -8.878 5.507 373 2HB LYS 52 1HB LYS 52 1.726 -7.967 6.926 374 1HG LYS 52 2HG LYS 52 -0.228 -8.728 8.134 375 2HG LYS 52 1HG LYS 52 -0.807 -9.583 6.702 376 1HD LYS 52 2HD LYS 52 1.808 -10.154 8.100 377 2HD LYS 52 1HD LYS 52 0.317 -11.061 8.357 378 1HE LYS 52 2HE LYS 52 1.703 -10.746 5.699 379 2HE LYS 52 1HE LYS 52 1.869 -12.145 6.759 380 1HZ LYS 52 1HZ LYS 52 -0.749 -11.224 5.730 381 2HZ LYS 52 2HZ LYS 52 -0.388 -12.705 6.462 382 3HZ LYS 52 3HZ LYS 52 0.206 -12.357 4.912 383 H ALA 53 H ALA 53 0.971 -5.565 7.693 384 HA ALA 53 HA ALA 53 -1.368 -5.693 9.383 385 1HB ALA 53 1HB ALA 53 1.112 -3.996 9.644 386 2HB ALA 53 2HB ALA 53 0.843 -5.568 10.400 387 3HB ALA 53 3HB ALA 53 -0.152 -4.183 10.865 388 H ALA 54 H ALA 54 0.169 -3.331 7.272 389 HA ALA 54 HA ALA 54 -1.445 -1.139 7.991 390 1HB ALA 54 1HB ALA 54 0.727 -0.951 6.842 391 2HB ALA 54 2HB ALA 54 -0.554 -0.046 6.036 392 3HB ALA 54 3HB ALA 54 -0.019 -1.593 5.378 393 H ALA 55 H ALA 55 -1.771 -3.562 5.414 394 HA ALA 55 HA ALA 55 -4.188 -2.346 4.395 395 1HB ALA 55 1HB ALA 55 -2.659 -3.519 2.887 396 2HB ALA 55 2HB ALA 55 -4.262 -4.255 2.873 397 3HB ALA 55 3HB ALA 55 -2.947 -5.023 3.762 398 H GLY 56 H GLY 56 -3.426 -4.351 6.974 399 1HA GLY 56 2HA GLY 56 -6.123 -5.519 7.047 400 2HA GLY 56 1HA GLY 56 -4.753 -6.044 8.025 401 H ALA 57 H ALA 57 -4.502 -2.831 8.114 402 HA ALA 57 HA ALA 57 -5.532 -2.664 10.781 403 1HB ALA 57 1HB ALA 57 -4.361 -0.503 9.028 404 2HB ALA 57 2HB ALA 57 -3.461 -1.532 10.143 405 3HB ALA 57 3HB ALA 57 -4.651 -0.386 10.764 406 H VAL 58 H VAL 58 -6.798 -2.184 7.714 407 HA VAL 58 HA VAL 58 -8.520 -0.006 7.885 408 HB VAL 58 HB VAL 58 -9.854 -1.204 6.141 409 1HG1 VAL 58 1HG1 VAL 58 -6.864 -1.070 5.748 410 2HG1 VAL 58 2HG1 VAL 58 -7.974 0.296 5.647 411 3HG1 VAL 58 3HG1 VAL 58 -8.084 -1.019 4.475 412 1HG2 VAL 58 1HG2 VAL 58 -7.729 -3.319 6.520 413 2HG2 VAL 58 2HG2 VAL 58 -8.881 -3.255 5.186 414 3HG2 VAL 58 3HG2 VAL 58 -9.455 -3.509 6.835 415 H ARG 59 H ARG 59 -9.564 0.181 9.814 416 HA ARG 59 HA ARG 59 -11.608 -1.824 10.444 417 1HB ARG 59 2HB ARG 59 -10.086 -1.077 12.279 418 2HB ARG 59 1HB ARG 59 -10.693 0.559 12.076 419 1HG ARG 59 2HG ARG 59 -11.765 -0.462 13.964 420 2HG ARG 59 1HG ARG 59 -12.951 -0.243 12.677 421 1HD ARG 59 2HD ARG 59 -11.481 -2.828 12.909 422 2HD ARG 59 1HD ARG 59 -12.828 -2.496 13.998 423 HE ARG 59 HE ARG 59 -13.946 -1.981 11.630 424 1HH1 ARG 59 1HH1 ARG 59 -11.927 -4.659 12.654 425 2HH1 ARG 59 2HH1 ARG 59 -12.711 -5.815 11.622 426 1HH2 ARG 59 1HH2 ARG 59 -14.972 -3.498 10.247 427 2HH2 ARG 59 2HH2 ARG 59 -14.417 -5.148 10.226 428 H GLY 60 H GLY 60 -13.188 -1.389 8.987 429 1HA GLY 60 2HA GLY 60 -15.164 -0.152 8.469 430 2HA GLY 60 1HA GLY 60 -14.363 1.309 9.060 431 H ILE 61 H ILE 61 -12.856 -1.050 6.964 432 HA ILE 61 HA ILE 61 -11.895 0.897 5.192 433 HB ILE 61 HB ILE 61 -10.845 -1.340 5.444 434 1HG1 ILE 61 2HG1 ILE 61 -10.266 -1.660 3.093 435 2HG1 ILE 61 1HG1 ILE 61 -11.703 -0.773 2.595 436 1HG2 ILE 61 1HG2 ILE 61 -12.931 -2.653 5.496 437 2HG2 ILE 61 2HG2 ILE 61 -11.773 -3.275 4.321 438 3HG2 ILE 61 3HG2 ILE 61 -13.160 -2.324 3.775 439 1HD1 ILE 61 1HD1 ILE 61 -9.683 0.566 2.379 440 2HD1 ILE 61 2HD1 ILE 61 -9.374 0.382 4.105 441 3HD1 ILE 61 3HD1 ILE 61 -10.798 1.264 3.553 442 H ASN 62 H ASN 62 -12.576 1.682 3.326 443 HA ASN 62 HA ASN 62 -15.182 0.811 2.296 444 1HB ASN 62 2HB ASN 62 -13.349 3.094 1.587 445 2HB ASN 62 1HB ASN 62 -14.651 2.607 0.504 446 1HD2 ASN 62 1HD2 ASN 62 -14.314 5.109 1.887 447 2HD2 ASN 62 2HD2 ASN 62 -15.698 5.310 2.908 448 HA PRO 63 HA PRO 63 -12.999 -2.290 -0.045 449 1HB PRO 63 2HB PRO 63 -15.484 -2.443 -1.611 450 2HB PRO 63 1HB PRO 63 -14.665 -3.695 -0.670 451 1HG PRO 63 2HG PRO 63 -16.977 -2.489 0.105 452 2HG PRO 63 1HG PRO 63 -15.808 -3.191 1.231 453 1HD PRO 63 2HD PRO 63 -16.399 -0.362 0.628 454 2HD PRO 63 1HD PRO 63 -15.729 -1.090 2.099 455 H ASN 64 H ASN 64 -14.902 0.268 -1.476 456 HA ASN 64 HA ASN 64 -13.857 0.159 -4.101 457 1HB ASN 64 2HB ASN 64 -15.842 1.491 -3.561 458 2HB ASN 64 1HB ASN 64 -14.873 2.552 -2.546 459 1HD2 ASN 64 1HD2 ASN 64 -13.517 4.071 -3.499 460 2HD2 ASN 64 2HD2 ASN 64 -13.620 4.471 -5.186 461 H ASN 65 H ASN 65 -12.780 1.802 -1.188 462 HA ASN 65 HA ASN 65 -10.631 3.151 -2.569 463 1HB ASN 65 2HB ASN 65 -11.270 3.074 0.382 464 2HB ASN 65 1HB ASN 65 -10.178 4.181 -0.435 465 1HD2 ASN 65 1HD2 ASN 65 -12.457 4.869 1.148 466 2HD2 ASN 65 2HD2 ASN 65 -13.566 5.708 0.111 467 H ALA 66 H ALA 66 -11.174 0.227 -1.009 468 HA ALA 66 HA ALA 66 -8.526 -0.407 -0.220 469 1HB ALA 66 1HB ALA 66 -10.461 -1.668 0.585 470 2HB ALA 66 2HB ALA 66 -9.297 -2.728 -0.211 471 3HB ALA 66 3HB ALA 66 -10.769 -2.246 -1.051 472 H GLU 67 H GLU 67 -10.194 -0.349 -3.266 473 HA GLU 67 HA GLU 67 -8.045 -1.735 -4.661 474 1HB GLU 67 2HB GLU 67 -10.573 -1.797 -5.255 475 2HB GLU 67 1HB GLU 67 -10.293 -0.217 -5.971 476 1HG GLU 67 2HG GLU 67 -10.135 -1.799 -7.714 477 2HG GLU 67 1HG GLU 67 -8.487 -1.276 -7.356 478 H ALA 68 H ALA 68 -8.599 1.270 -3.418 479 HA ALA 68 HA ALA 68 -6.904 2.647 -5.372 480 1HB ALA 68 1HB ALA 68 -7.438 4.676 -4.112 481 2HB ALA 68 2HB ALA 68 -8.352 3.719 -2.947 482 3HB ALA 68 3HB ALA 68 -8.904 3.838 -4.617 483 H LEU 69 H LEU 69 -6.687 0.794 -2.647 484 HA LEU 69 HA LEU 69 -4.585 1.987 -1.207 485 1HB LEU 69 2HB LEU 69 -6.071 0.119 -0.430 486 2HB LEU 69 1HB LEU 69 -5.190 -0.960 -1.487 487 HG LEU 69 HG LEU 69 -3.746 0.579 0.650 488 1HD1 LEU 69 1HD1 LEU 69 -5.202 -2.042 0.982 489 2HD1 LEU 69 2HD1 LEU 69 -5.582 -0.521 1.790 490 3HD1 LEU 69 3HD1 LEU 69 -4.067 -1.351 2.140 491 1HD2 LEU 69 1HD2 LEU 69 -3.252 -2.089 -0.675 492 2HD2 LEU 69 2HD2 LEU 69 -2.227 -1.339 0.550 493 3HD2 LEU 69 3HD2 LEU 69 -2.410 -0.581 -1.033 494 HA PRO 70 HA PRO 70 -1.701 -0.656 -4.272 495 1HB PRO 70 2HB PRO 70 -2.953 -0.704 -6.764 496 2HB PRO 70 1HB PRO 70 -2.770 -2.092 -5.682 497 1HG PRO 70 2HG PRO 70 -5.099 -0.256 -6.037 498 2HG PRO 70 1HG PRO 70 -5.084 -2.018 -5.819 499 1HD PRO 70 2HD PRO 70 -5.717 -0.421 -3.797 500 2HD PRO 70 1HD PRO 70 -4.681 -1.840 -3.521 501 H GLY 71 H GLY 71 -3.997 1.890 -5.091 502 1HA GLY 71 2HA GLY 71 -2.987 4.115 -4.980 503 2HA GLY 71 1HA GLY 71 -1.694 3.487 -5.985 504 H LYS 72 H LYS 72 -4.414 5.318 -5.970 505 HA LYS 72 HA LYS 72 -5.268 5.021 -8.668 506 1HB LYS 72 2HB LYS 72 -5.337 7.510 -6.947 507 2HB LYS 72 1HB LYS 72 -6.355 7.158 -8.337 508 1HG LYS 72 2HG LYS 72 -6.377 5.661 -5.724 509 2HG LYS 72 1HG LYS 72 -7.552 6.877 -6.227 510 1HD LYS 72 2HD LYS 72 -7.009 4.264 -7.634 511 2HD LYS 72 1HD LYS 72 -8.387 4.602 -6.583 512 1HE LYS 72 2HE LYS 72 -7.727 6.124 -9.094 513 2HE LYS 72 1HE LYS 72 -8.894 4.800 -9.017 514 1HZ LYS 72 1HZ LYS 72 -10.309 6.055 -7.632 515 2HZ LYS 72 2HZ LYS 72 -9.829 7.126 -8.855 516 3HZ LYS 72 3HZ LYS 72 -9.123 7.227 -7.320 517 H CYS 73 H CYS 73 -2.331 5.352 -7.891 518 HA CYS 73 HA CYS 73 -1.573 7.860 -9.153 519 1HB CYS 73 2HB CYS 73 0.265 5.832 -7.888 520 2HB CYS 73 1HB CYS 73 0.505 7.573 -8.031 521 H GLY 74 H GLY 74 -2.490 5.140 -10.420 522 1HA GLY 74 2HA GLY 74 -2.192 4.569 -12.683 523 2HA GLY 74 1HA GLY 74 -0.612 5.347 -12.651 524 H VAL 75 H VAL 75 -0.603 3.647 -9.934 525 HA VAL 75 HA VAL 75 0.965 1.543 -11.170 526 HB VAL 75 HB VAL 75 1.500 1.030 -8.668 527 1HG1 VAL 75 1HG1 VAL 75 3.274 2.731 -8.703 528 2HG1 VAL 75 2HG1 VAL 75 2.448 3.551 -10.031 529 3HG1 VAL 75 3HG1 VAL 75 3.100 1.928 -10.266 530 1HG2 VAL 75 1HG2 VAL 75 1.330 2.973 -7.201 531 2HG2 VAL 75 2HG2 VAL 75 -0.268 2.450 -7.729 532 3HG2 VAL 75 3HG2 VAL 75 0.484 3.868 -8.462 533 H ASN 76 H ASN 76 -0.611 0.193 -11.982 534 HA ASN 76 HA ASN 76 -2.443 -1.095 -10.132 535 1HB ASN 76 2HB ASN 76 -1.997 -1.424 -13.108 536 2HB ASN 76 1HB ASN 76 -3.108 -2.433 -12.187 537 1HD2 ASN 76 1HD2 ASN 76 -4.894 -1.735 -13.329 538 2HD2 ASN 76 2HD2 ASN 76 -5.559 -0.148 -13.141 539 H ILE 77 H ILE 77 -1.174 -2.211 -8.760 540 HA ILE 77 HA ILE 77 1.051 -3.781 -9.654 541 HB ILE 77 HB ILE 77 1.247 -4.441 -7.264 542 1HG1 ILE 77 2HG1 ILE 77 -1.245 -2.745 -7.033 543 2HG1 ILE 77 1HG1 ILE 77 -1.015 -4.405 -6.494 544 1HG2 ILE 77 1HG2 ILE 77 2.389 -2.489 -8.169 545 2HG2 ILE 77 2HG2 ILE 77 1.905 -2.215 -6.496 546 3HG2 ILE 77 3HG2 ILE 77 0.984 -1.486 -7.810 547 1HD1 ILE 77 1HD1 ILE 77 0.305 -1.976 -5.312 548 2HD1 ILE 77 2HD1 ILE 77 0.520 -3.640 -4.771 549 3HD1 ILE 77 3HD1 ILE 77 -1.055 -2.861 -4.624 550 HA PRO 78 HA PRO 78 -0.854 -7.590 -10.554 551 1HB PRO 78 2HB PRO 78 1.491 -8.917 -9.347 552 2HB PRO 78 1HB PRO 78 0.890 -8.974 -11.010 553 1HG PRO 78 2HG PRO 78 3.104 -7.618 -10.394 554 2HG PRO 78 1HG PRO 78 1.956 -7.005 -11.602 555 1HD PRO 78 2HD PRO 78 2.312 -6.190 -8.738 556 2HD PRO 78 1HD PRO 78 2.051 -5.173 -10.175 557 H TYR 79 H TYR 79 0.780 -7.740 -7.345 558 HA TYR 79 HA TYR 79 -1.005 -9.765 -6.410 559 1HB TYR 79 2HB TYR 79 -0.021 -9.426 -4.207 560 2HB TYR 79 1HB TYR 79 1.227 -9.542 -5.437 561 HD1 TYR 79 1HD TYR 79 -0.816 -6.847 -3.826 562 HD2 TYR 79 2HD TYR 79 3.039 -8.117 -5.140 563 HE1 TYR 79 1HE TYR 79 0.146 -4.730 -3.037 564 HE2 TYR 79 2HE TYR 79 4.002 -6.002 -4.336 565 HH TYR 79 HH TYR 79 2.392 -3.891 -2.292 566 H LYS 80 H LYS 80 -2.448 -9.480 -4.526 567 HA LYS 80 HA LYS 80 -3.852 -6.912 -4.752 568 1HB LYS 80 2HB LYS 80 -5.085 -9.031 -5.447 569 2HB LYS 80 1HB LYS 80 -5.049 -9.498 -3.752 570 1HG LYS 80 2HG LYS 80 -7.178 -8.475 -4.348 571 2HG LYS 80 1HG LYS 80 -6.314 -7.505 -3.153 572 1HD LYS 80 2HD LYS 80 -7.059 -5.909 -4.677 573 2HD LYS 80 1HD LYS 80 -5.401 -6.218 -5.206 574 1HE LYS 80 2HE LYS 80 -6.246 -7.779 -6.903 575 2HE LYS 80 1HE LYS 80 -7.898 -7.448 -6.380 576 1HZ LYS 80 1HZ LYS 80 -6.010 -5.628 -7.743 577 2HZ LYS 80 2HZ LYS 80 -7.370 -5.037 -6.922 578 3HZ LYS 80 3HZ LYS 80 -7.561 -6.096 -8.237 579 H ILE 81 H ILE 81 -5.053 -6.308 -2.699 580 HA ILE 81 HA ILE 81 -3.111 -6.059 -0.631 581 HB ILE 81 HB ILE 81 -4.719 -4.683 0.517 582 1HG1 ILE 81 2HG1 ILE 81 -6.757 -5.515 -1.559 583 2HG1 ILE 81 1HG1 ILE 81 -6.685 -6.192 0.064 584 1HG2 ILE 81 1HG2 ILE 81 -5.246 -3.057 -1.279 585 2HG2 ILE 81 2HG2 ILE 81 -4.774 -4.270 -2.469 586 3HG2 ILE 81 3HG2 ILE 81 -3.583 -3.641 -1.331 587 1HD1 ILE 81 1HD1 ILE 81 -8.382 -4.451 -0.136 588 2HD1 ILE 81 2HD1 ILE 81 -7.135 -3.293 -0.598 589 3HD1 ILE 81 3HD1 ILE 81 -7.124 -4.005 1.015 590 H SER 82 H SER 82 -5.359 -8.456 -1.304 591 HA SER 82 HA SER 82 -6.277 -9.211 1.223 592 1HB SER 82 2HB SER 82 -7.057 -10.127 -1.006 593 2HB SER 82 1HB SER 82 -5.579 -11.096 -1.045 594 HG SER 82 HG SER 82 -7.626 -11.181 0.930 595 H THR 83 H THR 83 -5.251 -10.033 2.930 596 HA THR 83 HA THR 83 -2.410 -10.161 2.903 597 HB THR 83 HB THR 83 -2.696 -10.856 5.308 598 HG1 THR 83 1HG THR 83 -4.647 -11.311 6.030 599 1HG2 THR 83 1HG2 THR 83 -2.448 -8.508 4.665 600 2HG2 THR 83 2HG2 THR 83 -3.556 -8.676 6.024 601 3HG2 THR 83 3HG2 THR 83 -4.188 -8.391 4.404 602 H SER 84 H SER 84 -4.375 -12.345 1.658 603 HA SER 84 HA SER 84 -3.092 -14.698 2.795 604 1HB SER 84 2HB SER 84 -5.282 -14.464 0.718 605 2HB SER 84 1HB SER 84 -4.695 -15.973 1.433 606 HG SER 84 HG SER 84 -5.253 -14.859 3.520 607 H THR 85 H THR 85 -2.536 -12.503 0.305 608 HA THR 85 HA THR 85 -1.243 -14.372 -1.472 609 HB THR 85 HB THR 85 -2.204 -12.143 -2.235 610 HG1 THR 85 1HG THR 85 -0.985 -12.656 -3.863 611 1HG2 THR 85 1HG2 THR 85 -0.698 -10.190 -2.100 612 2HG2 THR 85 2HG2 THR 85 0.331 -11.085 -0.976 613 3HG2 THR 85 3HG2 THR 85 -1.323 -10.673 -0.520 614 H ASN 86 H ASN 86 1.133 -14.295 -1.860 615 HA ASN 86 HA ASN 86 2.321 -14.489 0.782 616 1HB ASN 86 2HB ASN 86 4.069 -15.806 -0.235 617 2HB ASN 86 1HB ASN 86 2.502 -16.401 -0.769 618 1HD2 ASN 86 1HD2 ASN 86 5.179 -16.644 -1.928 619 2HD2 ASN 86 2HD2 ASN 86 5.053 -16.023 -3.549 620 H CYS 87 H CYS 87 3.770 -13.209 1.603 621 HA CYS 87 HA CYS 87 4.818 -10.962 0.088 622 1HB CYS 87 2HB CYS 87 4.166 -10.298 2.233 623 2HB CYS 87 1HB CYS 87 4.774 -11.771 2.981 624 H ASN 88 H ASN 88 5.659 -14.105 0.809 625 HA ASN 88 HA ASN 88 8.368 -14.104 1.323 626 1HB ASN 88 2HB ASN 88 7.003 -16.104 1.482 627 2HB ASN 88 1HB ASN 88 6.731 -16.093 -0.257 628 1HD2 ASN 88 1HD2 ASN 88 8.197 -17.034 -1.579 629 2HD2 ASN 88 2HD2 ASN 88 9.660 -17.799 -1.023 630 H SER 89 H SER 89 6.808 -13.291 -1.674 631 HA SER 89 HA SER 89 9.420 -12.869 -2.861 632 1HB SER 89 2HB SER 89 8.717 -14.051 -4.971 633 2HB SER 89 1HB SER 89 8.982 -15.123 -3.594 634 HG SER 89 HG SER 89 6.825 -14.943 -5.075 635 H ILE 90 H ILE 90 5.935 -12.713 -3.192 636 HA ILE 90 HA ILE 90 4.492 -11.353 -4.252 637 HB ILE 90 HB ILE 90 4.639 -8.997 -3.851 638 1HG1 ILE 90 2HG1 ILE 90 7.505 -9.398 -2.967 639 2HG1 ILE 90 1HG1 ILE 90 7.016 -8.663 -4.493 640 1HG2 ILE 90 1HG2 ILE 90 4.970 -8.963 -1.430 641 2HG2 ILE 90 2HG2 ILE 90 5.768 -10.532 -1.524 642 3HG2 ILE 90 3HG2 ILE 90 4.065 -10.380 -1.958 643 1HD1 ILE 90 1HD1 ILE 90 7.628 -6.990 -2.833 644 2HD1 ILE 90 2HD1 ILE 90 6.379 -7.604 -1.746 645 3HD1 ILE 90 3HD1 ILE 90 5.926 -6.858 -3.280 646 H ASN 91 H ASN 91 4.554 -9.122 -5.638 647 HA ASN 91 HA ASN 91 6.565 -8.878 -7.580 648 1HB ASN 91 2HB ASN 91 5.386 -9.638 -9.589 649 2HB ASN 91 1HB ASN 91 5.687 -10.971 -8.486 650 1HD2 ASN 91 1HD2 ASN 91 3.462 -10.372 -6.726 651 2HD2 ASN 91 2HD2 ASN 91 2.023 -10.792 -7.589
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