NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609939 | 2n8n | 25856 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 8.638 -9.888 -3.313 2 H2 MET 1 2HT MET 1 8.535 -10.006 -1.673 3 H3 MET 1 3HT MET 1 7.292 -10.674 -2.580 4 HA MET 1 HA MET 1 9.042 -12.284 -3.437 5 HB2 MET 1 2HB MET 1 10.450 -11.150 -0.990 6 HB3 MET 1 1HB MET 1 10.981 -12.538 -1.918 7 HG2 MET 1 2HG MET 1 11.419 -11.096 -3.835 8 HG3 MET 1 1HG MET 1 10.843 -9.702 -2.920 9 HE1 MET 1 2HE MET 1 14.715 -9.080 -3.113 10 HE2 MET 1 3HE MET 1 13.119 -8.403 -3.433 11 HE3 MET 1 1HE MET 1 13.692 -9.790 -4.362 12 H ALA 2 H ALA 2 9.688 -14.122 -1.573 13 HA ALA 2 HA ALA 2 7.221 -14.428 -0.057 14 HB1 ALA 2 1HB ALA 2 9.420 -16.403 -0.736 15 HB2 ALA 2 2HB ALA 2 7.850 -16.295 -1.532 16 HB3 ALA 2 3HB ALA 2 7.949 -16.785 0.159 17 H LYS 3 H LYS 3 7.350 -13.690 1.972 18 HA LYS 3 HA LYS 3 9.816 -14.050 3.476 19 HB2 LYS 3 2HB LYS 3 8.372 -11.452 3.019 20 HB3 LYS 3 1HB LYS 3 9.490 -11.710 4.342 21 HG2 LYS 3 2HG LYS 3 11.297 -12.079 2.767 22 HG3 LYS 3 1HG LYS 3 10.171 -11.888 1.417 23 HD2 LYS 3 2HD LYS 3 9.732 -9.619 2.019 24 HD3 LYS 3 1HD LYS 3 10.639 -9.791 3.521 25 HE2 LYS 3 2HE LYS 3 12.688 -10.109 2.258 26 HE3 LYS 3 1HE LYS 3 11.785 -10.000 0.746 27 HZ1 LYS 3 3HZ LYS 3 12.898 -7.915 1.433 28 HZ2 LYS 3 1HZ LYS 3 11.845 -7.848 2.763 29 HZ3 LYS 3 2HZ LYS 3 11.253 -7.774 1.153 30 H GLN 4 H GLN 4 9.430 -13.525 5.755 31 HA GLN 4 HA GLN 4 6.627 -13.932 6.567 32 HB2 GLN 4 2HB GLN 4 9.105 -15.026 7.925 33 HB3 GLN 4 1HB GLN 4 7.469 -15.159 8.548 34 HG2 GLN 4 2HG GLN 4 6.845 -16.505 6.591 35 HG3 GLN 4 1HG GLN 4 8.495 -16.382 5.992 36 HE21 GLN 4 1HE2 GLN 4 7.706 -16.784 9.383 37 HE22 GLN 4 2HE2 GLN 4 8.323 -18.400 9.499 38 H ASP 5 H ASP 5 9.238 -11.932 6.517 39 HA ASP 5 HA ASP 5 8.892 -10.681 9.083 40 HB2 ASP 5 2HB ASP 5 10.731 -9.162 8.166 41 HB3 ASP 5 1HB ASP 5 11.170 -10.853 8.370 42 H VAL 6 H VAL 6 8.996 -9.431 5.893 43 HA VAL 6 HA VAL 6 6.691 -7.705 6.511 44 HB VAL 6 HB VAL 6 9.024 -7.058 4.663 45 HG11 VAL 6 1HG1 VAL 6 6.718 -5.332 5.550 46 HG12 VAL 6 2HG1 VAL 6 6.973 -5.991 3.934 47 HG13 VAL 6 3HG1 VAL 6 8.096 -4.794 4.588 48 HG21 VAL 6 3HG2 VAL 6 8.417 -5.938 7.400 49 HG22 VAL 6 1HG2 VAL 6 9.685 -5.362 6.317 50 HG23 VAL 6 2HG2 VAL 6 9.763 -6.996 6.980 51 H ILE 7 H ILE 7 5.133 -7.597 4.879 52 HA ILE 7 HA ILE 7 5.516 -9.507 2.708 53 HB ILE 7 HB ILE 7 2.903 -8.287 3.694 54 HG12 ILE 7 2HG1 ILE 7 4.051 -11.044 4.211 55 HG13 ILE 7 1HG1 ILE 7 3.847 -9.768 5.406 56 HG21 ILE 7 1HG2 ILE 7 3.442 -10.590 1.809 57 HG22 ILE 7 2HG2 ILE 7 2.917 -8.980 1.332 58 HG23 ILE 7 3HG2 ILE 7 1.850 -10.004 2.296 59 HD11 ILE 7 3HD1 ILE 7 2.100 -11.445 5.604 60 HD12 ILE 7 1HD1 ILE 7 1.634 -11.175 3.924 61 HD13 ILE 7 2HD1 ILE 7 1.418 -9.893 5.112 62 H GLU 8 H GLU 8 5.695 -8.723 0.774 63 HA GLU 8 HA GLU 8 5.549 -5.824 0.407 64 HB2 GLU 8 2HB GLU 8 6.874 -7.964 -1.271 65 HB3 GLU 8 1HB GLU 8 7.134 -6.224 -1.372 66 HG2 GLU 8 2HG GLU 8 8.311 -6.160 0.658 67 HG3 GLU 8 1HG GLU 8 7.720 -7.744 1.145 68 H LEU 9 H LEU 9 3.743 -5.188 -0.594 69 HA LEU 9 HA LEU 9 2.444 -6.948 -2.559 70 HB2 LEU 9 2HB LEU 9 1.047 -5.290 -0.445 71 HB3 LEU 9 1HB LEU 9 0.267 -6.219 -1.701 72 HG LEU 9 HG LEU 9 1.778 -7.329 0.680 73 HD11 LEU 9 1HD1 LEU 9 -0.383 -8.178 1.350 74 HD12 LEU 9 2HD1 LEU 9 -1.132 -7.384 -0.035 75 HD13 LEU 9 3HD1 LEU 9 -0.382 -6.418 1.237 76 HD21 LEU 9 3HD2 LEU 9 0.358 -8.774 -1.570 77 HD22 LEU 9 1HD2 LEU 9 1.037 -9.527 -0.128 78 HD23 LEU 9 2HD2 LEU 9 2.101 -8.753 -1.301 79 H GLU 10 H GLU 10 1.096 -5.675 -4.050 80 HA GLU 10 HA GLU 10 1.829 -2.864 -3.974 81 HB2 GLU 10 2HB GLU 10 1.177 -4.509 -6.414 82 HB3 GLU 10 1HB GLU 10 1.410 -2.772 -6.403 83 HG2 GLU 10 2HG GLU 10 3.737 -3.411 -5.382 84 HG3 GLU 10 1HG GLU 10 3.399 -4.956 -6.162 85 H GLY 11 H GLY 11 0.212 -1.486 -5.027 86 HA2 GLY 11 2HA GLY 11 -2.456 -2.501 -5.149 87 HA3 GLY 11 1HA GLY 11 -2.174 -1.425 -3.787 88 H THR 12 H THR 12 -3.950 -0.651 -5.448 89 HA THR 12 HA THR 12 -2.662 1.374 -7.143 90 HB THR 12 HB THR 12 -5.459 0.283 -7.351 91 HG1 THR 12 1HG THR 12 -3.607 -1.217 -7.838 92 HG21 THR 12 3HG2 THR 12 -5.110 2.527 -8.305 93 HG22 THR 12 1HG2 THR 12 -5.421 1.351 -9.588 94 HG23 THR 12 2HG2 THR 12 -3.777 1.911 -9.274 95 H VAL 13 H VAL 13 -3.047 3.391 -6.495 96 HA VAL 13 HA VAL 13 -4.730 3.708 -4.158 97 HB VAL 13 HB VAL 13 -2.556 4.678 -3.869 98 HG11 VAL 13 1HG1 VAL 13 -1.698 6.416 -5.228 99 HG12 VAL 13 2HG1 VAL 13 -3.047 6.201 -6.373 100 HG13 VAL 13 3HG1 VAL 13 -1.890 4.880 -6.067 101 HG21 VAL 13 3HG2 VAL 13 -3.059 7.023 -3.377 102 HG22 VAL 13 1HG2 VAL 13 -4.386 5.970 -2.874 103 HG23 VAL 13 2HG2 VAL 13 -4.535 6.903 -4.348 104 H LEU 14 H LEU 14 -6.577 4.700 -4.063 105 HA LEU 14 HA LEU 14 -7.556 5.766 -6.598 106 HB2 LEU 14 2HB LEU 14 -9.117 4.678 -4.264 107 HB3 LEU 14 1HB LEU 14 -9.828 5.370 -5.705 108 HG LEU 14 HG LEU 14 -8.189 2.836 -5.560 109 HD11 LEU 14 1HD1 LEU 14 -11.113 3.290 -6.123 110 HD12 LEU 14 2HD1 LEU 14 -10.425 2.587 -4.659 111 HD13 LEU 14 3HD1 LEU 14 -10.276 1.739 -6.197 112 HD21 LEU 14 3HD2 LEU 14 -7.767 3.973 -7.678 113 HD22 LEU 14 1HD2 LEU 14 -9.502 4.159 -7.941 114 HD23 LEU 14 2HD2 LEU 14 -8.777 2.554 -7.935 115 H ASP 15 H ASP 15 -7.115 6.587 -3.215 116 HA ASP 15 HA ASP 15 -8.236 9.244 -3.841 117 HB2 ASP 15 2HB ASP 15 -8.597 7.798 -1.233 118 HB3 ASP 15 1HB ASP 15 -9.252 9.367 -1.639 119 H THR 16 H THR 16 -7.345 10.957 -2.649 120 HA THR 16 HA THR 16 -4.660 10.467 -1.617 121 HB THR 16 HB THR 16 -4.585 13.011 -1.798 122 HG1 THR 16 1HG THR 16 -6.932 13.122 -1.897 123 HG21 THR 16 3HG2 THR 16 -4.246 12.966 -4.229 124 HG22 THR 16 1HG2 THR 16 -5.121 11.436 -4.308 125 HG23 THR 16 2HG2 THR 16 -3.569 11.519 -3.474 126 H LEU 17 H LEU 17 -4.288 10.667 0.566 127 HA LEU 17 HA LEU 17 -6.423 11.865 2.130 128 HB2 LEU 17 2HB LEU 17 -4.353 9.852 2.968 129 HB3 LEU 17 1HB LEU 17 -5.587 10.504 4.029 130 HG LEU 17 HG LEU 17 -5.912 8.496 1.770 131 HD11 LEU 17 1HD1 LEU 17 -5.179 7.593 3.837 132 HD12 LEU 17 2HD1 LEU 17 -6.842 7.117 3.498 133 HD13 LEU 17 3HD1 LEU 17 -6.512 8.376 4.688 134 HD21 LEU 17 3HD2 LEU 17 -8.324 8.561 2.200 135 HD22 LEU 17 1HD2 LEU 17 -7.765 10.127 1.611 136 HD23 LEU 17 2HD2 LEU 17 -8.098 9.898 3.327 137 HA PRO 18 HA PRO 18 -3.359 14.886 3.312 138 HB2 PRO 18 2HB PRO 18 -4.600 15.327 5.894 139 HB3 PRO 18 1HB PRO 18 -4.685 16.357 4.455 140 HG2 PRO 18 2HG PRO 18 -6.825 15.026 5.441 141 HG3 PRO 18 1HG PRO 18 -6.634 15.462 3.733 142 HD2 PRO 18 2HD PRO 18 -6.189 12.827 5.056 143 HD3 PRO 18 1HD PRO 18 -6.907 13.204 3.474 144 H ASN 19 H ASN 19 -1.590 15.229 4.546 145 HA ASN 19 HA ASN 19 0.092 14.979 6.019 146 HB2 ASN 19 2HB ASN 19 -1.837 14.839 7.733 147 HB3 ASN 19 1HB ASN 19 -1.595 13.101 7.697 148 HD21 ASN 19 1HD2 ASN 19 0.315 12.254 8.615 149 HD22 ASN 19 2HD2 ASN 19 1.295 13.195 9.696 150 H ALA 20 H ALA 20 -0.004 13.441 3.757 151 HA ALA 20 HA ALA 20 1.356 12.022 2.711 152 HB1 ALA 20 1HB ALA 20 3.245 10.939 3.833 153 HB2 ALA 20 2HB ALA 20 2.542 11.313 5.406 154 HB3 ALA 20 3HB ALA 20 3.091 12.618 4.355 155 H MET 21 H MET 21 -1.153 11.218 4.312 156 HA MET 21 HA MET 21 -0.940 8.320 4.252 157 HB2 MET 21 2HB MET 21 -2.790 10.266 5.413 158 HB3 MET 21 1HB MET 21 -3.624 9.012 4.530 159 HG2 MET 21 2HG MET 21 -3.560 8.348 6.754 160 HG3 MET 21 1HG MET 21 -2.421 7.328 5.884 161 HE1 MET 21 3HE MET 21 -2.012 11.047 7.180 162 HE2 MET 21 1HE MET 21 -1.293 10.761 8.763 163 HE3 MET 21 2HE MET 21 -2.943 10.231 8.436 164 H PHE 22 H PHE 22 -2.073 7.089 2.763 165 HA PHE 22 HA PHE 22 -3.631 8.477 0.736 166 HB2 PHE 22 2HB PHE 22 -1.284 6.664 0.153 167 HB3 PHE 22 1HB PHE 22 -2.589 6.868 -1.004 168 HD1 PHE 22 2HD PHE 22 0.196 8.558 0.714 169 HD2 PHE 22 1HD PHE 22 -2.783 8.863 -2.305 170 HE1 PHE 22 2HE PHE 22 1.304 10.567 -0.177 171 HE2 PHE 22 1HE PHE 22 -1.672 10.869 -3.199 172 HZ PHE 22 HZ PHE 22 0.366 11.722 -2.135 173 H LYS 23 H LYS 23 -5.267 7.218 -0.174 174 HA LYS 23 HA LYS 23 -5.776 4.785 1.341 175 HB2 LYS 23 2HB LYS 23 -7.648 6.302 1.457 176 HB3 LYS 23 1HB LYS 23 -7.581 6.553 -0.286 177 HG2 LYS 23 2HG LYS 23 -8.245 4.240 -0.663 178 HG3 LYS 23 1HG LYS 23 -8.302 3.967 1.076 179 HD2 LYS 23 2HD LYS 23 -10.175 5.331 1.340 180 HD3 LYS 23 1HD LYS 23 -9.934 6.116 -0.224 181 HE2 LYS 23 2HE LYS 23 -10.693 3.225 0.182 182 HE3 LYS 23 1HE LYS 23 -11.803 4.518 -0.277 183 HZ1 LYS 23 3HZ LYS 23 -10.318 4.894 -2.245 184 HZ2 LYS 23 1HZ LYS 23 -11.128 3.404 -2.280 185 HZ3 LYS 23 2HZ LYS 23 -9.545 3.407 -1.868 186 H VAL 24 H VAL 24 -5.094 3.132 0.438 187 HA VAL 24 HA VAL 24 -5.039 2.981 -2.516 188 HB VAL 24 HB VAL 24 -2.993 1.698 -0.681 189 HG11 VAL 24 1HG1 VAL 24 -3.176 0.572 -2.760 190 HG12 VAL 24 2HG1 VAL 24 -1.633 1.418 -2.647 191 HG13 VAL 24 3HG1 VAL 24 -2.936 2.083 -3.632 192 HG21 VAL 24 3HG2 VAL 24 -2.823 4.364 -2.052 193 HG22 VAL 24 1HG2 VAL 24 -1.401 3.462 -1.492 194 HG23 VAL 24 2HG2 VAL 24 -2.634 3.980 -0.354 195 H GLU 25 H GLU 25 -5.685 1.107 -3.426 196 HA GLU 25 HA GLU 25 -6.601 -0.904 -1.553 197 HB2 GLU 25 2HB GLU 25 -7.685 -0.008 -4.179 198 HB3 GLU 25 1HB GLU 25 -7.898 -1.685 -3.705 199 HG2 GLU 25 2HG GLU 25 -9.851 -0.489 -3.081 200 HG3 GLU 25 1HG GLU 25 -8.926 -0.961 -1.657 201 H LEU 26 H LEU 26 -5.772 -2.706 -1.575 202 HA LEU 26 HA LEU 26 -3.343 -3.361 -2.938 203 HB2 LEU 26 2HB LEU 26 -5.268 -5.140 -1.457 204 HB3 LEU 26 1HB LEU 26 -3.741 -5.699 -2.096 205 HG LEU 26 HG LEU 26 -4.034 -3.559 0.015 206 HD11 LEU 26 1HD1 LEU 26 -3.233 -5.280 1.555 207 HD12 LEU 26 2HD1 LEU 26 -3.256 -6.467 0.252 208 HD13 LEU 26 3HD1 LEU 26 -4.765 -5.760 0.826 209 HD21 LEU 26 3HD2 LEU 26 -1.639 -5.029 -1.080 210 HD22 LEU 26 1HD2 LEU 26 -1.620 -3.950 0.313 211 HD23 LEU 26 2HD2 LEU 26 -2.002 -3.314 -1.283 212 H GLU 27 H GLU 27 -2.976 -5.257 -4.311 213 HA GLU 27 HA GLU 27 -4.293 -5.408 -6.734 214 HB2 GLU 27 2HB GLU 27 -2.983 -7.758 -5.354 215 HB3 GLU 27 1HB GLU 27 -3.152 -7.509 -7.079 216 HG2 GLU 27 2HG GLU 27 -1.462 -5.803 -5.259 217 HG3 GLU 27 1HG GLU 27 -0.866 -7.157 -6.204 218 H ASN 28 H ASN 28 -5.073 -6.906 -3.737 219 HA ASN 28 HA ASN 28 -6.904 -8.919 -4.769 220 HB2 ASN 28 2HB ASN 28 -5.360 -9.106 -2.706 221 HB3 ASN 28 1HB ASN 28 -6.526 -8.094 -1.885 222 HD21 ASN 28 1HD2 ASN 28 -8.871 -9.495 -3.154 223 HD22 ASN 28 2HD2 ASN 28 -8.909 -11.041 -2.376 224 H GLY 29 H GLY 29 -7.158 -5.580 -4.194 225 HA2 GLY 29 2HA GLY 29 -9.108 -4.325 -4.422 226 HA3 GLY 29 1HA GLY 29 -10.055 -5.782 -4.164 227 H HIS 30 H HIS 30 -7.629 -5.337 -1.840 228 HA HIS 30 HA HIS 30 -9.640 -4.810 0.205 229 HB2 HIS 30 2HB HIS 30 -7.651 -6.549 0.337 230 HB3 HIS 30 1HB HIS 30 -6.738 -5.065 0.618 231 HD1 HIS 30 1HD HIS 30 -6.181 -4.682 3.014 232 HD2 HIS 30 2HD HIS 30 -10.003 -6.258 2.502 233 HE1 HIS 30 1HE HIS 30 -7.162 -4.778 5.273 234 HE2 HIS 30 2HE HIS 30 -9.550 -4.962 4.637 235 H GLU 31 H GLU 31 -9.356 -3.092 1.653 236 HA GLU 31 HA GLU 31 -8.235 -0.738 0.474 237 HB2 GLU 31 2HB GLU 31 -9.627 0.370 2.095 238 HB3 GLU 31 1HB GLU 31 -10.580 -0.898 1.350 239 HG2 GLU 31 2HG GLU 31 -9.219 -1.128 4.011 240 HG3 GLU 31 1HG GLU 31 -10.937 -0.683 3.858 241 H ILE 32 H ILE 32 -6.487 0.219 1.322 242 HA ILE 32 HA ILE 32 -5.593 -0.536 3.977 243 HB ILE 32 HB ILE 32 -3.211 -0.589 3.214 244 HG12 ILE 32 2HG1 ILE 32 -4.368 -0.877 0.472 245 HG13 ILE 32 1HG1 ILE 32 -3.691 0.639 1.080 246 HG21 ILE 32 1HG2 ILE 32 -3.281 -2.842 2.166 247 HG22 ILE 32 2HG2 ILE 32 -5.035 -2.677 2.042 248 HG23 ILE 32 3HG2 ILE 32 -4.258 -2.694 3.623 249 HD11 ILE 32 3HD1 ILE 32 -2.197 -1.954 0.733 250 HD12 ILE 32 1HD1 ILE 32 -1.516 -0.449 1.345 251 HD13 ILE 32 2HD1 ILE 32 -2.080 -0.547 -0.325 252 H LEU 33 H LEU 33 -4.497 1.048 5.001 253 HA LEU 33 HA LEU 33 -4.621 3.661 3.685 254 HB2 LEU 33 2HB LEU 33 -4.262 2.938 6.597 255 HB3 LEU 33 1HB LEU 33 -4.354 4.572 5.969 256 HG LEU 33 HG LEU 33 -6.567 2.551 5.766 257 HD11 LEU 33 1HD1 LEU 33 -6.226 4.886 7.667 258 HD12 LEU 33 2HD1 LEU 33 -6.162 3.179 8.105 259 HD13 LEU 33 3HD1 LEU 33 -7.672 3.887 7.532 260 HD21 LEU 33 3HD2 LEU 33 -6.665 4.222 4.015 261 HD22 LEU 33 1HD2 LEU 33 -6.506 5.514 5.208 262 HD23 LEU 33 2HD2 LEU 33 -7.949 4.504 5.187 263 H ALA 34 H ALA 34 -2.835 4.487 3.041 264 HA ALA 34 HA ALA 34 -0.407 3.027 3.716 265 HB1 ALA 34 1HB ALA 34 -1.202 2.786 1.437 266 HB2 ALA 34 2HB ALA 34 0.373 3.565 1.551 267 HB3 ALA 34 3HB ALA 34 -1.065 4.534 1.220 268 H HIS 35 H HIS 35 1.557 4.168 3.693 269 HA HIS 35 HA HIS 35 1.393 7.018 4.219 270 HB2 HIS 35 2HB HIS 35 3.052 4.839 5.479 271 HB3 HIS 35 1HB HIS 35 3.303 6.556 5.712 272 HD1 HIS 35 1HD HIS 35 1.038 3.733 6.604 273 HD2 HIS 35 2HD HIS 35 1.523 7.755 7.490 274 HE1 HIS 35 1HE HIS 35 -0.499 4.182 8.559 275 HE2 HIS 35 2HE HIS 35 -0.446 6.717 8.715 276 H VAL 36 H VAL 36 2.831 8.047 2.899 277 HA VAL 36 HA VAL 36 4.485 6.363 1.260 278 HB VAL 36 HB VAL 36 5.234 8.465 0.153 279 HG11 VAL 36 1HG1 VAL 36 3.390 7.217 -0.746 280 HG12 VAL 36 2HG1 VAL 36 3.092 8.946 -0.940 281 HG13 VAL 36 3HG1 VAL 36 2.271 8.044 0.334 282 HG21 VAL 36 3HG2 VAL 36 3.212 9.791 1.965 283 HG22 VAL 36 1HG2 VAL 36 4.059 10.569 0.630 284 HG23 VAL 36 2HG2 VAL 36 4.960 10.017 2.043 285 H SER 37 H SER 37 6.726 6.391 1.197 286 HA SER 37 HA SER 37 7.880 6.495 3.756 287 HB2 SER 37 2HB SER 37 9.852 5.657 2.722 288 HB3 SER 37 1HB SER 37 8.531 5.041 1.779 289 HG SER 37 HG SER 37 9.123 6.092 0.111 290 H GLY 38 H GLY 38 9.776 7.799 4.348 291 HA2 GLY 38 2HA GLY 38 9.348 10.511 4.277 292 HA3 GLY 38 1HA GLY 38 10.885 9.754 4.659 293 H LYS 39 H LYS 39 10.875 8.561 1.782 294 HA LYS 39 HA LYS 39 12.355 10.785 0.737 295 HB2 LYS 39 2HB LYS 39 13.099 8.404 0.398 296 HB3 LYS 39 1HB LYS 39 11.721 8.179 -0.673 297 HG2 LYS 39 2HG LYS 39 12.588 9.967 -2.138 298 HG3 LYS 39 1HG LYS 39 13.989 10.126 -1.086 299 HD2 LYS 39 2HD LYS 39 14.555 7.756 -1.572 300 HD3 LYS 39 1HD LYS 39 13.202 7.703 -2.704 301 HE2 LYS 39 2HE LYS 39 15.603 9.534 -2.888 302 HE3 LYS 39 1HE LYS 39 15.321 8.104 -3.874 303 HZ1 LYS 39 3HZ LYS 39 13.331 9.205 -4.781 304 HZ2 LYS 39 1HZ LYS 39 14.725 10.110 -5.075 305 HZ3 LYS 39 2HZ LYS 39 13.679 10.598 -3.879 306 H ILE 40 H ILE 40 9.199 9.415 0.317 307 HA ILE 40 HA ILE 40 8.682 10.872 -2.123 308 HB ILE 40 HB ILE 40 6.918 9.206 -0.319 309 HG12 ILE 40 2HG1 ILE 40 8.040 8.601 -3.053 310 HG13 ILE 40 1HG1 ILE 40 8.687 7.976 -1.539 311 HG21 ILE 40 1HG2 ILE 40 5.235 9.237 -2.150 312 HG22 ILE 40 2HG2 ILE 40 6.247 10.374 -3.040 313 HG23 ILE 40 3HG2 ILE 40 5.529 10.852 -1.501 314 HD11 ILE 40 3HD1 ILE 40 6.584 6.773 -1.169 315 HD12 ILE 40 1HD1 ILE 40 7.341 6.315 -2.693 316 HD13 ILE 40 2HD1 ILE 40 5.958 7.412 -2.687 317 H ARG 41 H ARG 41 8.409 11.308 1.232 318 HA ARG 41 HA ARG 41 6.493 13.442 1.131 319 HB2 ARG 41 2HB ARG 41 7.147 11.876 3.131 320 HB3 ARG 41 1HB ARG 41 8.474 12.986 3.372 321 HG2 ARG 41 2HG ARG 41 5.630 13.987 3.357 322 HG3 ARG 41 1HG ARG 41 6.287 13.212 4.782 323 HD2 ARG 41 2HD ARG 41 6.470 15.570 5.101 324 HD3 ARG 41 1HD ARG 41 8.092 14.979 4.787 325 HE ARG 41 HE ARG 41 7.321 15.762 2.355 326 HH11 ARG 41 1HH1 ARG 41 7.032 17.490 5.437 327 HH12 ARG 41 2HH1 ARG 41 7.270 19.031 4.760 328 HH21 ARG 41 1HH2 ARG 41 7.669 17.795 1.426 329 HH22 ARG 41 2HH2 ARG 41 7.653 19.225 2.344 330 H MET 42 H MET 42 10.038 13.151 1.447 331 HA MET 42 HA MET 42 10.503 15.985 1.421 332 HB2 MET 42 2HB MET 42 12.414 13.668 1.146 333 HB3 MET 42 1HB MET 42 12.912 15.349 1.240 334 HG2 MET 42 2HG MET 42 11.948 15.523 3.467 335 HG3 MET 42 1HG MET 42 11.396 13.852 3.365 336 HE1 MET 42 3HE MET 42 14.304 13.697 6.005 337 HE2 MET 42 1HE MET 42 12.603 13.345 5.697 338 HE3 MET 42 2HE MET 42 13.157 15.017 5.772 339 H ASN 43 H ASN 43 10.864 13.415 -0.980 340 HA ASN 43 HA ASN 43 11.834 15.312 -2.996 341 HB2 ASN 43 2HB ASN 43 12.800 12.940 -2.615 342 HB3 ASN 43 1HB ASN 43 11.256 12.384 -3.239 343 HD21 ASN 43 1HD2 ASN 43 11.142 14.355 -5.434 344 HD22 ASN 43 2HD2 ASN 43 12.366 13.860 -6.545 345 H TYR 44 H TYR 44 10.537 15.942 -4.582 346 HA TYR 44 HA TYR 44 7.762 15.886 -4.464 347 HB2 TYR 44 2HB TYR 44 9.715 16.512 -6.566 348 HB3 TYR 44 1HB TYR 44 7.985 16.815 -6.818 349 HD1 TYR 44 2HD TYR 44 6.854 18.478 -5.256 350 HD2 TYR 44 1HD TYR 44 11.083 18.001 -5.354 351 HE1 TYR 44 2HE TYR 44 7.121 20.643 -4.119 352 HE2 TYR 44 1HE TYR 44 11.358 20.164 -4.215 353 HH TYR 44 HH TYR 44 10.095 22.255 -3.894 354 H ILE 45 H ILE 45 8.823 13.059 -4.718 355 HA ILE 45 HA ILE 45 7.815 12.194 -7.311 356 HB ILE 45 HB ILE 45 8.506 9.869 -6.555 357 HG12 ILE 45 2HG1 ILE 45 9.854 11.420 -4.323 358 HG13 ILE 45 1HG1 ILE 45 8.507 10.308 -4.134 359 HG21 ILE 45 1HG2 ILE 45 10.646 11.983 -6.727 360 HG22 ILE 45 2HG2 ILE 45 9.873 11.156 -8.079 361 HG23 ILE 45 3HG2 ILE 45 10.901 10.254 -6.964 362 HD11 ILE 45 3HD1 ILE 45 11.279 9.573 -5.070 363 HD12 ILE 45 1HD1 ILE 45 9.929 8.458 -4.865 364 HD13 ILE 45 2HD1 ILE 45 10.614 9.280 -3.465 365 H ARG 46 H ARG 46 5.920 13.075 -6.696 366 HA ARG 46 HA ARG 46 4.253 12.207 -4.597 367 HB2 ARG 46 2HB ARG 46 3.753 13.835 -7.061 368 HB3 ARG 46 1HB ARG 46 2.544 13.567 -5.809 369 HG2 ARG 46 2HG ARG 46 3.691 14.828 -4.243 370 HG3 ARG 46 1HG ARG 46 5.233 14.646 -5.081 371 HD2 ARG 46 2HD ARG 46 2.894 16.204 -6.168 372 HD3 ARG 46 1HD ARG 46 4.226 16.926 -5.259 373 HE ARG 46 HE ARG 46 5.493 15.561 -7.191 374 HH11 ARG 46 1HH1 ARG 46 2.897 17.964 -7.341 375 HH12 ARG 46 2HH1 ARG 46 3.338 18.600 -8.853 376 HH21 ARG 46 1HH2 ARG 46 6.134 16.418 -9.289 377 HH22 ARG 46 2HH2 ARG 46 5.258 17.682 -10.006 378 H ILE 47 H ILE 47 2.339 11.123 -4.644 379 HA ILE 47 HA ILE 47 2.065 9.092 -6.723 380 HB ILE 47 HB ILE 47 0.851 9.188 -3.948 381 HG12 ILE 47 2HG1 ILE 47 3.278 9.020 -3.707 382 HG13 ILE 47 1HG1 ILE 47 2.528 7.487 -3.289 383 HG21 ILE 47 1HG2 ILE 47 0.337 6.836 -4.308 384 HG22 ILE 47 2HG2 ILE 47 1.092 6.918 -5.903 385 HG23 ILE 47 3HG2 ILE 47 -0.361 7.858 -5.574 386 HD11 ILE 47 3HD1 ILE 47 4.557 7.137 -4.553 387 HD12 ILE 47 1HD1 ILE 47 3.943 8.145 -5.866 388 HD13 ILE 47 2HD1 ILE 47 3.161 6.610 -5.495 389 H LEU 48 H LEU 48 0.215 9.117 -7.953 390 HA LEU 48 HA LEU 48 -1.841 11.099 -7.302 391 HB2 LEU 48 2HB LEU 48 -0.455 11.547 -9.316 392 HB3 LEU 48 1HB LEU 48 -0.924 9.989 -9.959 393 HG LEU 48 HG LEU 48 -3.296 10.814 -9.876 394 HD11 LEU 48 1HD1 LEU 48 -3.657 13.232 -9.887 395 HD12 LEU 48 2HD1 LEU 48 -1.944 13.493 -9.587 396 HD13 LEU 48 3HD1 LEU 48 -2.937 12.723 -8.357 397 HD21 LEU 48 3HD2 LEU 48 -2.067 10.605 -11.956 398 HD22 LEU 48 1HD2 LEU 48 -1.342 12.194 -11.713 399 HD23 LEU 48 2HD2 LEU 48 -3.076 12.052 -11.996 400 HA PRO 49 HA PRO 49 -4.778 7.589 -6.999 401 HB2 PRO 49 2HB PRO 49 -6.378 9.618 -8.536 402 HB3 PRO 49 1HB PRO 49 -6.903 8.578 -7.190 403 HG2 PRO 49 2HG PRO 49 -6.381 11.064 -6.694 404 HG3 PRO 49 1HG PRO 49 -5.775 9.803 -5.596 405 HD2 PRO 49 2HD PRO 49 -4.284 11.419 -7.615 406 HD3 PRO 49 1HD PRO 49 -3.736 10.813 -6.037 407 H GLY 50 H GLY 50 -4.889 5.936 -8.344 408 HA2 GLY 50 2HA GLY 50 -5.368 4.942 -10.479 409 HA3 GLY 50 1HA GLY 50 -4.711 6.387 -11.243 410 H ASP 51 H ASP 51 -2.501 6.339 -9.117 411 HA ASP 51 HA ASP 51 -0.635 4.825 -10.632 412 HB2 ASP 51 2HB ASP 51 -0.379 6.314 -8.038 413 HB3 ASP 51 1HB ASP 51 0.906 5.259 -8.593 414 H LYS 52 H LYS 52 0.514 3.101 -10.111 415 HA LYS 52 HA LYS 52 -0.653 1.259 -8.146 416 HB2 LYS 52 2HB LYS 52 -0.345 0.675 -10.667 417 HB3 LYS 52 1HB LYS 52 1.368 0.605 -10.296 418 HG2 LYS 52 2HG LYS 52 0.894 -1.157 -8.621 419 HG3 LYS 52 1HG LYS 52 -0.800 -1.125 -9.115 420 HD2 LYS 52 2HD LYS 52 0.025 -1.569 -11.476 421 HD3 LYS 52 1HD LYS 52 1.597 -1.912 -10.760 422 HE2 LYS 52 2HE LYS 52 -0.997 -3.362 -10.236 423 HE3 LYS 52 1HE LYS 52 0.397 -3.973 -11.114 424 HZ1 LYS 52 3HZ LYS 52 0.210 -4.823 -8.883 425 HZ2 LYS 52 1HZ LYS 52 0.296 -3.304 -8.240 426 HZ3 LYS 52 2HZ LYS 52 1.668 -3.939 -9.002 427 H VAL 53 H VAL 53 0.579 0.873 -6.368 428 HA VAL 53 HA VAL 53 3.380 1.740 -6.424 429 HB VAL 53 HB VAL 53 3.101 2.668 -4.122 430 HG11 VAL 53 1HG1 VAL 53 3.203 4.174 -6.048 431 HG12 VAL 53 2HG1 VAL 53 2.066 4.798 -4.854 432 HG13 VAL 53 3HG1 VAL 53 1.468 3.988 -6.300 433 HG21 VAL 53 3HG2 VAL 53 0.157 2.396 -4.759 434 HG22 VAL 53 1HG2 VAL 53 0.807 3.317 -3.402 435 HG23 VAL 53 2HG2 VAL 53 1.034 1.569 -3.474 436 H THR 54 H THR 54 4.742 0.805 -4.853 437 HA THR 54 HA THR 54 3.902 -1.855 -4.070 438 HB THR 54 HB THR 54 6.644 -0.626 -3.868 439 HG1 THR 54 1HG THR 54 5.314 -1.699 -6.205 440 HG21 THR 54 3HG2 THR 54 7.380 -2.962 -4.105 441 HG22 THR 54 1HG2 THR 54 5.699 -3.480 -4.227 442 HG23 THR 54 2HG2 THR 54 6.297 -2.773 -2.727 443 H VAL 55 H VAL 55 3.281 -2.176 -2.072 444 HA VAL 55 HA VAL 55 3.970 -0.240 -0.003 445 HB VAL 55 HB VAL 55 1.564 -0.243 -0.586 446 HG11 VAL 55 1HG1 VAL 55 1.256 -2.545 -1.319 447 HG12 VAL 55 2HG1 VAL 55 0.105 -2.134 -0.047 448 HG13 VAL 55 3HG1 VAL 55 1.505 -3.116 0.331 449 HG21 VAL 55 3HG2 VAL 55 2.199 0.322 1.670 450 HG22 VAL 55 1HG2 VAL 55 2.130 -1.378 2.130 451 HG23 VAL 55 2HG2 VAL 55 0.655 -0.533 1.657 452 H GLU 56 H GLU 56 5.038 -0.956 1.709 453 HA GLU 56 HA GLU 56 5.381 -3.827 1.997 454 HB2 GLU 56 2HB GLU 56 7.397 -3.261 3.307 455 HB3 GLU 56 1HB GLU 56 7.392 -2.359 1.793 456 HG2 GLU 56 2HG GLU 56 6.272 -0.562 3.221 457 HG3 GLU 56 1HG GLU 56 7.082 -1.395 4.545 458 H MET 57 H MET 57 4.473 -4.852 3.662 459 HA MET 57 HA MET 57 3.472 -3.333 5.905 460 HB2 MET 57 2HB MET 57 1.247 -4.725 5.596 461 HB3 MET 57 1HB MET 57 1.466 -3.136 4.845 462 HG2 MET 57 2HG MET 57 1.905 -4.238 2.749 463 HG3 MET 57 1HG MET 57 1.867 -5.813 3.542 464 HE1 MET 57 3HE MET 57 -1.862 -3.107 3.559 465 HE2 MET 57 1HE MET 57 -0.276 -2.523 3.041 466 HE3 MET 57 2HE MET 57 -0.556 -3.022 4.720 467 H SER 58 H SER 58 2.775 -4.572 7.684 468 HA SER 58 HA SER 58 4.491 -6.852 7.993 469 HB2 SER 58 2HB SER 58 2.599 -5.534 9.948 470 HB3 SER 58 1HB SER 58 3.917 -6.642 10.341 471 HG SER 58 HG SER 58 5.233 -4.956 9.128 472 HA PRO 59 HA PRO 59 1.340 -10.007 7.298 473 HB2 PRO 59 2HB PRO 59 2.546 -11.523 9.534 474 HB3 PRO 59 1HB PRO 59 2.410 -11.981 7.825 475 HG2 PRO 59 2HG PRO 59 4.755 -11.348 8.859 476 HG3 PRO 59 1HG PRO 59 4.313 -10.866 7.210 477 HD2 PRO 59 2HD PRO 59 4.374 -9.211 9.693 478 HD3 PRO 59 1HD PRO 59 4.882 -8.807 8.037 479 H TYR 60 H TYR 60 1.845 -8.553 10.306 480 HA TYR 60 HA TYR 60 -0.515 -9.729 11.547 481 HB2 TYR 60 2HB TYR 60 1.603 -9.549 12.835 482 HB3 TYR 60 1HB TYR 60 1.569 -7.809 12.637 483 HD1 TYR 60 1HD TYR 60 -0.384 -10.631 14.102 484 HD2 TYR 60 2HD TYR 60 0.563 -6.486 14.286 485 HE1 TYR 60 1HE TYR 60 -1.623 -10.444 16.220 486 HE2 TYR 60 2HE TYR 60 -0.675 -6.288 16.397 487 HH TYR 60 HH TYR 60 -2.481 -7.469 17.584 488 H ASP 61 H ASP 61 -0.074 -7.385 9.332 489 HA ASP 61 HA ASP 61 -2.101 -5.666 10.570 490 HB2 ASP 61 2HB ASP 61 0.227 -4.551 10.451 491 HB3 ASP 61 1HB ASP 61 0.046 -4.569 8.718 492 H LEU 62 H LEU 62 -0.664 -5.428 7.383 493 HA LEU 62 HA LEU 62 -1.401 -5.502 5.290 494 HB2 LEU 62 2HB LEU 62 -1.708 -7.920 5.973 495 HB3 LEU 62 1HB LEU 62 -3.394 -7.573 6.256 496 HG LEU 62 HG LEU 62 -2.404 -6.990 3.500 497 HD11 LEU 62 1HD1 LEU 62 -2.533 -9.360 2.873 498 HD12 LEU 62 2HD1 LEU 62 -2.763 -9.800 4.567 499 HD13 LEU 62 3HD1 LEU 62 -1.237 -9.087 4.039 500 HD21 LEU 62 3HD2 LEU 62 -4.782 -6.752 4.134 501 HD22 LEU 62 1HD2 LEU 62 -4.825 -8.459 4.583 502 HD23 LEU 62 2HD2 LEU 62 -4.556 -7.994 2.903 503 H THR 63 H THR 63 -2.901 -3.806 7.396 504 HA THR 63 HA THR 63 -4.896 -2.961 5.461 505 HB THR 63 HB THR 63 -6.220 -3.828 7.211 506 HG1 THR 63 1HG THR 63 -6.880 -1.730 6.547 507 HG21 THR 63 3HG2 THR 63 -4.539 -2.307 9.202 508 HG22 THR 63 1HG2 THR 63 -4.557 -4.053 8.960 509 HG23 THR 63 2HG2 THR 63 -5.987 -3.235 9.592 510 H ARG 64 H ARG 64 -2.204 -2.139 7.351 511 HA ARG 64 HA ARG 64 -2.288 0.589 6.315 512 HB2 ARG 64 2HB ARG 64 -1.273 -0.500 8.916 513 HB3 ARG 64 1HB ARG 64 -0.570 0.950 8.262 514 HG2 ARG 64 2HG ARG 64 -2.171 1.654 9.853 515 HG3 ARG 64 1HG ARG 64 -2.954 1.899 8.295 516 HD2 ARG 64 2HD ARG 64 -4.477 0.911 9.934 517 HD3 ARG 64 1HD ARG 64 -4.185 -0.185 8.582 518 HE ARG 64 HE ARG 64 -2.458 -1.232 10.135 519 HH11 ARG 64 1HH1 ARG 64 -5.488 0.144 11.323 520 HH12 ARG 64 2HH1 ARG 64 -5.536 -0.847 12.717 521 HH21 ARG 64 1HH2 ARG 64 -2.480 -2.466 11.854 522 HH22 ARG 64 2HH2 ARG 64 -3.696 -2.478 13.075 523 H GLY 65 H GLY 65 -0.480 1.196 5.243 524 HA2 GLY 65 2HA GLY 65 1.815 -0.608 5.360 525 HA3 GLY 65 1HA GLY 65 1.077 -0.345 3.795 526 H ARG 66 H ARG 66 3.461 0.284 3.581 527 HA ARG 66 HA ARG 66 3.666 3.173 3.681 528 HB2 ARG 66 2HB ARG 66 5.131 2.988 5.521 529 HB3 ARG 66 1HB ARG 66 4.930 1.250 5.322 530 HG2 ARG 66 2HG ARG 66 7.182 1.606 5.392 531 HG3 ARG 66 1HG ARG 66 6.736 1.184 3.760 532 HD2 ARG 66 2HD ARG 66 7.013 3.517 3.130 533 HD3 ARG 66 1HD ARG 66 7.580 3.853 4.790 534 HE ARG 66 HE ARG 66 8.682 1.788 3.054 535 HH11 ARG 66 1HH1 ARG 66 9.374 4.469 5.253 536 HH12 ARG 66 2HH1 ARG 66 10.932 3.895 5.680 537 HH21 ARG 66 1HH2 ARG 66 10.617 0.935 3.731 538 HH22 ARG 66 2HH2 ARG 66 11.724 1.749 4.737 539 H ILE 67 H ILE 67 4.416 3.870 1.757 540 HA ILE 67 HA ILE 67 5.208 1.832 -0.163 541 HB ILE 67 HB ILE 67 3.980 4.548 -0.532 542 HG12 ILE 67 2HG1 ILE 67 2.462 3.202 -2.055 543 HG13 ILE 67 1HG1 ILE 67 3.280 1.779 -1.417 544 HG21 ILE 67 1HG2 ILE 67 4.229 4.382 -2.972 545 HG22 ILE 67 2HG2 ILE 67 5.255 2.963 -2.760 546 HG23 ILE 67 3HG2 ILE 67 5.786 4.531 -2.153 547 HD11 ILE 67 3HD1 ILE 67 1.164 2.184 -0.308 548 HD12 ILE 67 1HD1 ILE 67 1.729 3.792 0.146 549 HD13 ILE 67 2HD1 ILE 67 2.523 2.362 0.812 550 H THR 68 H THR 68 7.180 1.600 -0.809 551 HA THR 68 HA THR 68 9.034 3.837 -0.558 552 HB THR 68 HB THR 68 10.601 1.781 -1.178 553 HG1 THR 68 1HG THR 68 8.860 0.390 0.483 554 HG21 THR 68 3HG2 THR 68 10.872 1.496 1.264 555 HG22 THR 68 1HG2 THR 68 9.325 2.321 1.446 556 HG23 THR 68 2HG2 THR 68 10.723 3.212 0.812 557 H TYR 69 H TYR 69 7.397 1.892 -2.902 558 HA TYR 69 HA TYR 69 8.963 3.198 -4.992 559 HB2 TYR 69 2HB TYR 69 9.797 0.899 -4.788 560 HB3 TYR 69 1HB TYR 69 8.144 0.308 -4.906 561 HD1 TYR 69 2HD TYR 69 10.548 2.388 -6.936 562 HD2 TYR 69 1HD TYR 69 7.446 -0.525 -6.943 563 HE1 TYR 69 2HE TYR 69 10.759 2.159 -9.390 564 HE2 TYR 69 1HE TYR 69 7.645 -0.757 -9.373 565 HH TYR 69 HH TYR 69 8.405 0.350 -11.200 566 H ARG 70 H ARG 70 7.821 4.027 -6.532 567 HA ARG 70 HA ARG 70 4.989 3.335 -6.741 568 HB2 ARG 70 2HB ARG 70 4.732 5.479 -7.976 569 HB3 ARG 70 1HB ARG 70 5.274 5.728 -6.326 570 HG2 ARG 70 2HG ARG 70 7.327 6.526 -6.980 571 HG3 ARG 70 1HG ARG 70 7.330 5.591 -8.481 572 HD2 ARG 70 2HD ARG 70 5.561 7.973 -7.922 573 HD3 ARG 70 1HD ARG 70 7.040 8.011 -8.893 574 HE ARG 70 HE ARG 70 5.938 6.344 -10.353 575 HH11 ARG 70 1HH1 ARG 70 3.913 8.725 -8.570 576 HH12 ARG 70 2HH1 ARG 70 2.522 8.304 -9.448 577 HH21 ARG 70 1HH2 ARG 70 3.980 5.891 -11.560 578 HH22 ARG 70 2HH2 ARG 70 2.555 6.744 -11.139 579 H TYR 71 H TYR 71 4.304 2.542 -8.764 580 HA TYR 71 HA TYR 71 6.403 1.446 -10.266 581 HB2 TYR 71 2HB TYR 71 4.221 0.313 -10.092 582 HB3 TYR 71 1HB TYR 71 3.472 1.620 -11.004 583 HD1 TYR 71 1HD TYR 71 6.063 -1.033 -11.238 584 HD2 TYR 71 2HD TYR 71 3.443 1.562 -13.363 585 HE1 TYR 71 1HE TYR 71 6.644 -2.173 -13.336 586 HE2 TYR 71 2HE TYR 71 4.016 0.425 -15.467 587 HH TYR 71 HH TYR 71 5.883 -0.874 -16.343 588 H LYS 72 H LYS 72 7.510 2.188 -11.804 589 HA LYS 72 HA LYS 72 6.525 4.350 -13.435 590 HB2 LYS 72 2HB LYS 72 8.860 5.164 -13.652 591 HB3 LYS 72 1HB LYS 72 8.406 5.132 -11.961 592 HG2 LYS 72 2HG LYS 72 10.540 4.278 -11.864 593 HG3 LYS 72 1HG LYS 72 9.603 2.789 -12.006 594 HD2 LYS 72 2HD LYS 72 9.954 3.209 -14.587 595 HD3 LYS 72 1HD LYS 72 11.335 4.150 -14.026 596 HE2 LYS 72 2HE LYS 72 12.002 1.869 -14.527 597 HE3 LYS 72 1HE LYS 72 12.146 2.182 -12.796 598 HZ1 LYS 72 3HZ LYS 72 9.674 1.070 -13.886 599 HZ2 LYS 72 1HZ LYS 72 10.234 0.932 -12.339 600 HZ3 LYS 72 2HZ LYS 72 10.935 -0.011 -13.576 Start of MODEL 2 1 H1 MET 1 1HT MET 1 10.276 -13.689 9.739 2 H2 MET 1 2HT MET 1 10.131 -14.976 8.624 3 H3 MET 1 3HT MET 1 10.612 -13.436 8.116 4 HA MET 1 HA MET 1 12.601 -13.446 9.091 5 HB2 MET 1 2HB MET 1 11.783 -16.022 10.451 6 HB3 MET 1 1HB MET 1 13.447 -15.469 10.380 7 HG2 MET 1 2HG MET 1 12.439 -14.925 12.517 8 HG3 MET 1 1HG MET 1 12.843 -13.462 11.627 9 HE1 MET 1 2HE MET 1 9.627 -12.436 13.639 10 HE2 MET 1 3HE MET 1 11.315 -12.054 13.298 11 HE3 MET 1 1HE MET 1 10.904 -13.526 14.176 12 H ALA 2 H ALA 2 12.374 -13.546 6.746 13 HA ALA 2 HA ALA 2 14.386 -14.865 5.533 14 HB1 ALA 2 1HB ALA 2 13.206 -17.049 5.728 15 HB2 ALA 2 2HB ALA 2 13.188 -16.535 4.041 16 HB3 ALA 2 3HB ALA 2 11.747 -16.346 5.037 17 H LYS 3 H LYS 3 11.162 -14.892 4.214 18 HA LYS 3 HA LYS 3 11.255 -12.054 3.817 19 HB2 LYS 3 2HB LYS 3 12.052 -13.254 1.660 20 HB3 LYS 3 1HB LYS 3 10.381 -13.812 1.519 21 HG2 LYS 3 2HG LYS 3 9.657 -11.450 1.724 22 HG3 LYS 3 1HG LYS 3 11.344 -10.977 1.611 23 HD2 LYS 3 2HD LYS 3 11.456 -12.005 -0.605 24 HD3 LYS 3 1HD LYS 3 9.741 -12.441 -0.471 25 HE2 LYS 3 2HE LYS 3 10.918 -9.671 -0.432 26 HE3 LYS 3 1HE LYS 3 9.907 -10.379 -1.692 27 HZ1 LYS 3 3HZ LYS 3 8.039 -10.407 -0.189 28 HZ2 LYS 3 1HZ LYS 3 8.725 -8.887 -0.237 29 HZ3 LYS 3 2HZ LYS 3 8.977 -9.835 1.113 30 H GLN 4 H GLN 4 9.939 -14.538 5.141 31 HA GLN 4 HA GLN 4 7.161 -13.885 4.565 32 HB2 GLN 4 2HB GLN 4 8.277 -16.090 6.335 33 HB3 GLN 4 1HB GLN 4 6.583 -15.855 5.935 34 HG2 GLN 4 2HG GLN 4 8.792 -16.639 4.040 35 HG3 GLN 4 1HG GLN 4 7.490 -17.668 4.632 36 HE21 GLN 4 1HE2 GLN 4 5.397 -17.362 3.807 37 HE22 GLN 4 2HE2 GLN 4 5.142 -16.466 2.347 38 H ASP 5 H ASP 5 7.639 -11.896 5.338 39 HA ASP 5 HA ASP 5 7.009 -11.390 8.040 40 HB2 ASP 5 2HB ASP 5 9.230 -9.928 8.244 41 HB3 ASP 5 1HB ASP 5 9.222 -11.617 8.737 42 H VAL 6 H VAL 6 8.643 -9.920 5.382 43 HA VAL 6 HA VAL 6 6.390 -7.984 5.280 44 HB VAL 6 HB VAL 6 9.182 -7.466 4.191 45 HG11 VAL 6 1HG1 VAL 6 7.478 -6.185 3.064 46 HG12 VAL 6 2HG1 VAL 6 8.480 -5.127 4.059 47 HG13 VAL 6 3HG1 VAL 6 6.868 -5.591 4.607 48 HG21 VAL 6 3HG2 VAL 6 9.523 -5.956 6.108 49 HG22 VAL 6 1HG2 VAL 6 9.302 -7.629 6.625 50 HG23 VAL 6 2HG2 VAL 6 7.977 -6.476 6.780 51 H ILE 7 H ILE 7 5.373 -7.634 3.312 52 HA ILE 7 HA ILE 7 6.325 -9.116 0.984 53 HB ILE 7 HB ILE 7 3.442 -9.067 1.984 54 HG12 ILE 7 2HG1 ILE 7 5.376 -11.402 1.865 55 HG13 ILE 7 1HG1 ILE 7 4.884 -10.571 3.332 56 HG21 ILE 7 1HG2 ILE 7 3.584 -9.081 -0.452 57 HG22 ILE 7 2HG2 ILE 7 2.981 -10.630 0.139 58 HG23 ILE 7 3HG2 ILE 7 4.655 -10.481 -0.395 59 HD11 ILE 7 3HD1 ILE 7 3.702 -12.674 3.071 60 HD12 ILE 7 1HD1 ILE 7 3.088 -12.152 1.501 61 HD13 ILE 7 2HD1 ILE 7 2.581 -11.316 2.970 62 H GLU 8 H GLU 8 6.002 -7.955 -0.930 63 HA GLU 8 HA GLU 8 5.002 -5.264 -0.642 64 HB2 GLU 8 2HB GLU 8 6.433 -6.551 -2.976 65 HB3 GLU 8 1HB GLU 8 6.215 -4.841 -2.668 66 HG2 GLU 8 2HG GLU 8 8.503 -5.322 -2.203 67 HG3 GLU 8 1HG GLU 8 7.663 -5.138 -0.653 68 H LEU 9 H LEU 9 3.104 -4.809 -1.505 69 HA LEU 9 HA LEU 9 1.921 -6.622 -3.511 70 HB2 LEU 9 2HB LEU 9 0.479 -5.031 -1.373 71 HB3 LEU 9 1HB LEU 9 -0.282 -6.021 -2.597 72 HG LEU 9 HG LEU 9 1.369 -6.998 -0.253 73 HD11 LEU 9 1HD1 LEU 9 -0.717 -8.046 0.419 74 HD12 LEU 9 2HD1 LEU 9 -1.542 -7.257 -0.925 75 HD13 LEU 9 3HD1 LEU 9 -0.830 -6.288 0.368 76 HD21 LEU 9 3HD2 LEU 9 0.038 -8.580 -2.461 77 HD22 LEU 9 1HD2 LEU 9 0.798 -9.257 -1.020 78 HD23 LEU 9 2HD2 LEU 9 1.777 -8.413 -2.217 79 H GLU 10 H GLU 10 0.388 -5.425 -4.942 80 HA GLU 10 HA GLU 10 1.112 -2.599 -5.065 81 HB2 GLU 10 2HB GLU 10 1.211 -4.410 -7.464 82 HB3 GLU 10 1HB GLU 10 1.385 -2.665 -7.488 83 HG2 GLU 10 2HG GLU 10 3.356 -3.134 -5.844 84 HG3 GLU 10 1HG GLU 10 3.284 -4.749 -6.553 85 H GLY 11 H GLY 11 -0.533 -1.372 -5.239 86 HA2 GLY 11 2HA GLY 11 -2.910 -2.405 -6.578 87 HA3 GLY 11 1HA GLY 11 -3.044 -1.758 -4.946 88 H THR 12 H THR 12 -4.598 -0.470 -6.349 89 HA THR 12 HA THR 12 -3.267 1.719 -7.763 90 HB THR 12 HB THR 12 -6.226 1.189 -7.565 91 HG1 THR 12 1HG THR 12 -5.623 -0.613 -8.334 92 HG21 THR 12 3HG2 THR 12 -4.501 2.456 -9.710 93 HG22 THR 12 1HG2 THR 12 -5.468 3.336 -8.526 94 HG23 THR 12 2HG2 THR 12 -6.260 2.327 -9.738 95 H VAL 13 H VAL 13 -3.240 3.699 -6.853 96 HA VAL 13 HA VAL 13 -4.637 3.947 -4.343 97 HB VAL 13 HB VAL 13 -2.373 4.693 -4.132 98 HG11 VAL 13 1HG1 VAL 13 -1.886 5.094 -6.382 99 HG12 VAL 13 2HG1 VAL 13 -1.426 6.468 -5.366 100 HG13 VAL 13 3HG1 VAL 13 -2.881 6.567 -6.389 101 HG21 VAL 13 3HG2 VAL 13 -2.621 7.026 -3.383 102 HG22 VAL 13 1HG2 VAL 13 -3.966 6.009 -2.850 103 HG23 VAL 13 2HG2 VAL 13 -4.184 7.095 -4.209 104 H LEU 14 H LEU 14 -6.365 5.052 -3.931 105 HA LEU 14 HA LEU 14 -7.607 6.321 -6.248 106 HB2 LEU 14 2HB LEU 14 -8.872 5.235 -3.733 107 HB3 LEU 14 1HB LEU 14 -9.743 6.128 -4.951 108 HG LEU 14 HG LEU 14 -9.103 4.279 -6.577 109 HD11 LEU 14 1HD1 LEU 14 -7.296 3.274 -5.322 110 HD12 LEU 14 2HD1 LEU 14 -8.580 2.104 -5.631 111 HD13 LEU 14 3HD1 LEU 14 -8.419 2.839 -4.034 112 HD21 LEU 14 3HD2 LEU 14 -10.897 2.807 -5.803 113 HD22 LEU 14 1HD2 LEU 14 -11.342 4.508 -5.674 114 HD23 LEU 14 2HD2 LEU 14 -10.869 3.608 -4.232 115 H ASP 15 H ASP 15 -6.642 6.914 -2.956 116 HA ASP 15 HA ASP 15 -7.717 9.669 -3.209 117 HB2 ASP 15 2HB ASP 15 -7.292 8.234 -0.685 118 HB3 ASP 15 1HB ASP 15 -8.275 9.658 -0.928 119 H THR 16 H THR 16 -6.248 11.209 -2.715 120 HA THR 16 HA THR 16 -3.723 10.330 -1.572 121 HB THR 16 HB THR 16 -2.829 12.533 -2.363 122 HG1 THR 16 1HG THR 16 -5.161 13.358 -2.342 123 HG21 THR 16 3HG2 THR 16 -2.694 10.545 -3.803 124 HG22 THR 16 1HG2 THR 16 -2.904 12.013 -4.758 125 HG23 THR 16 2HG2 THR 16 -4.271 10.936 -4.473 126 H LEU 17 H LEU 17 -3.577 10.522 0.560 127 HA LEU 17 HA LEU 17 -5.594 12.111 1.889 128 HB2 LEU 17 2HB LEU 17 -3.778 9.961 2.935 129 HB3 LEU 17 1HB LEU 17 -5.017 10.759 3.876 130 HG LEU 17 HG LEU 17 -5.378 8.719 1.642 131 HD11 LEU 17 1HD1 LEU 17 -4.857 7.830 3.777 132 HD12 LEU 17 2HD1 LEU 17 -6.552 7.519 3.385 133 HD13 LEU 17 3HD1 LEU 17 -6.129 8.788 4.525 134 HD21 LEU 17 3HD2 LEU 17 -7.785 9.036 1.910 135 HD22 LEU 17 1HD2 LEU 17 -7.049 10.534 1.341 136 HD23 LEU 17 2HD2 LEU 17 -7.507 10.364 3.036 137 HA PRO 18 HA PRO 18 -2.766 15.116 3.614 138 HB2 PRO 18 2HB PRO 18 -3.909 15.309 6.126 139 HB3 PRO 18 1HB PRO 18 -4.531 16.155 4.694 140 HG2 PRO 18 2HG PRO 18 -5.481 13.626 5.922 141 HG3 PRO 18 1HG PRO 18 -6.416 14.973 5.238 142 HD2 PRO 18 2HD PRO 18 -6.068 12.730 3.864 143 HD3 PRO 18 1HD PRO 18 -6.051 14.313 3.059 144 H ASN 19 H ASN 19 -1.084 15.252 5.122 145 HA ASN 19 HA ASN 19 0.528 14.638 6.587 146 HB2 ASN 19 2HB ASN 19 -1.451 12.516 7.481 147 HB3 ASN 19 1HB ASN 19 0.105 12.765 8.247 148 HD21 ASN 19 1HD2 ASN 19 -0.863 13.289 10.230 149 HD22 ASN 19 2HD2 ASN 19 -1.670 14.801 10.464 150 H ALA 20 H ALA 20 0.207 13.515 3.926 151 HA ALA 20 HA ALA 20 1.460 12.295 2.475 152 HB1 ALA 20 1HB ALA 20 3.226 11.698 4.862 153 HB2 ALA 20 2HB ALA 20 3.384 13.096 3.801 154 HB3 ALA 20 3HB ALA 20 3.662 11.475 3.167 155 H MET 21 H MET 21 -0.769 11.160 3.920 156 HA MET 21 HA MET 21 -0.106 8.293 3.932 157 HB2 MET 21 2HB MET 21 -1.595 9.588 5.817 158 HB3 MET 21 1HB MET 21 -2.787 9.371 4.530 159 HG2 MET 21 2HG MET 21 -3.102 7.655 6.047 160 HG3 MET 21 1HG MET 21 -2.407 6.957 4.577 161 HE1 MET 21 3HE MET 21 -0.909 8.841 7.736 162 HE2 MET 21 1HE MET 21 -0.330 7.459 8.666 163 HE3 MET 21 2HE MET 21 -2.055 7.659 8.365 164 H PHE 22 H PHE 22 -1.656 7.040 2.666 165 HA PHE 22 HA PHE 22 -3.184 8.501 0.669 166 HB2 PHE 22 2HB PHE 22 -0.948 6.561 -0.023 167 HB3 PHE 22 1HB PHE 22 -2.213 7.009 -1.161 168 HD1 PHE 22 2HD PHE 22 0.715 8.232 0.710 169 HD2 PHE 22 1HD PHE 22 -2.190 9.131 -2.242 170 HE1 PHE 22 2HE PHE 22 2.004 10.222 0.057 171 HE2 PHE 22 1HE PHE 22 -0.904 11.133 -2.896 172 HZ PHE 22 HZ PHE 22 1.191 11.673 -1.746 173 H LYS 23 H LYS 23 -4.904 7.285 -0.182 174 HA LYS 23 HA LYS 23 -5.219 4.792 1.263 175 HB2 LYS 23 2HB LYS 23 -7.029 6.497 1.737 176 HB3 LYS 23 1HB LYS 23 -7.475 6.407 0.037 177 HG2 LYS 23 2HG LYS 23 -8.308 4.259 0.213 178 HG3 LYS 23 1HG LYS 23 -7.402 3.917 1.683 179 HD2 LYS 23 2HD LYS 23 -9.733 4.139 2.244 180 HD3 LYS 23 1HD LYS 23 -8.864 5.512 2.903 181 HE2 LYS 23 2HE LYS 23 -11.008 6.188 1.956 182 HE3 LYS 23 1HE LYS 23 -9.674 6.904 1.061 183 HZ1 LYS 23 3HZ LYS 23 -11.483 6.029 -0.321 184 HZ2 LYS 23 1HZ LYS 23 -11.113 4.443 0.158 185 HZ3 LYS 23 2HZ LYS 23 -9.997 5.458 -0.711 186 H VAL 24 H VAL 24 -4.653 3.328 0.251 187 HA VAL 24 HA VAL 24 -4.846 3.251 -2.705 188 HB VAL 24 HB VAL 24 -2.862 1.663 -1.054 189 HG11 VAL 24 1HG1 VAL 24 -3.155 0.777 -3.236 190 HG12 VAL 24 2HG1 VAL 24 -1.549 1.490 -3.074 191 HG13 VAL 24 3HG1 VAL 24 -2.811 2.350 -3.955 192 HG21 VAL 24 3HG2 VAL 24 -2.415 4.411 -2.211 193 HG22 VAL 24 1HG2 VAL 24 -1.133 3.345 -1.622 194 HG23 VAL 24 2HG2 VAL 24 -2.371 3.935 -0.521 195 H GLU 25 H GLU 25 -5.514 1.235 -3.678 196 HA GLU 25 HA GLU 25 -6.698 -0.519 -1.720 197 HB2 GLU 25 2HB GLU 25 -8.606 -0.526 -2.902 198 HB3 GLU 25 1HB GLU 25 -7.904 0.676 -3.958 199 HG2 GLU 25 2HG GLU 25 -7.369 -2.182 -4.414 200 HG3 GLU 25 1HG GLU 25 -8.941 -1.544 -4.902 201 H LEU 26 H LEU 26 -6.262 -2.556 -1.619 202 HA LEU 26 HA LEU 26 -3.928 -3.540 -3.054 203 HB2 LEU 26 2HB LEU 26 -5.701 -4.812 -0.986 204 HB3 LEU 26 1HB LEU 26 -4.371 -5.648 -1.752 205 HG LEU 26 HG LEU 26 -4.141 -3.193 -0.030 206 HD11 LEU 26 1HD1 LEU 26 -3.449 -6.085 0.489 207 HD12 LEU 26 2HD1 LEU 26 -4.771 -5.184 1.232 208 HD13 LEU 26 3HD1 LEU 26 -3.099 -4.736 1.567 209 HD21 LEU 26 3HD2 LEU 26 -2.052 -4.936 -1.337 210 HD22 LEU 26 1HD2 LEU 26 -1.723 -3.677 -0.148 211 HD23 LEU 26 2HD2 LEU 26 -2.399 -3.246 -1.712 212 H GLU 27 H GLU 27 -3.996 -5.815 -3.884 213 HA GLU 27 HA GLU 27 -5.713 -6.072 -6.079 214 HB2 GLU 27 2HB GLU 27 -4.144 -8.303 -4.746 215 HB3 GLU 27 1HB GLU 27 -4.657 -8.228 -6.419 216 HG2 GLU 27 2HG GLU 27 -2.414 -7.734 -6.611 217 HG3 GLU 27 1HG GLU 27 -3.103 -6.121 -6.509 218 H ASN 28 H ASN 28 -6.057 -6.832 -2.862 219 HA ASN 28 HA ASN 28 -8.041 -8.924 -3.019 220 HB2 ASN 28 2HB ASN 28 -6.627 -8.879 -1.077 221 HB3 ASN 28 1HB ASN 28 -6.997 -7.197 -0.761 222 HD21 ASN 28 1HD2 ASN 28 -8.188 -10.484 -0.563 223 HD22 ASN 28 2HD2 ASN 28 -9.436 -10.144 0.585 224 H GLY 29 H GLY 29 -8.177 -5.609 -3.646 225 HA2 GLY 29 2HA GLY 29 -10.015 -4.325 -4.208 226 HA3 GLY 29 1HA GLY 29 -11.068 -5.619 -3.645 227 H HIS 30 H HIS 30 -8.744 -4.911 -1.465 228 HA HIS 30 HA HIS 30 -10.629 -3.611 0.380 229 HB2 HIS 30 2HB HIS 30 -8.939 -5.631 0.833 230 HB3 HIS 30 1HB HIS 30 -7.839 -4.248 0.915 231 HD1 HIS 30 1HD HIS 30 -8.277 -2.452 2.938 232 HD2 HIS 30 2HD HIS 30 -10.345 -6.071 3.180 233 HE1 HIS 30 1HE HIS 30 -8.956 -2.665 5.296 234 HE2 HIS 30 2HE HIS 30 -9.939 -4.961 5.480 235 H GLU 31 H GLU 31 -10.196 -1.514 1.076 236 HA GLU 31 HA GLU 31 -7.981 -0.199 -0.228 237 HB2 GLU 31 2HB GLU 31 -9.017 1.933 0.467 238 HB3 GLU 31 1HB GLU 31 -10.110 0.955 -0.493 239 HG2 GLU 31 2HG GLU 31 -11.379 0.359 1.471 240 HG3 GLU 31 1HG GLU 31 -10.194 1.169 2.504 241 H ILE 32 H ILE 32 -6.407 0.670 0.868 242 HA ILE 32 HA ILE 32 -6.297 0.033 3.707 243 HB ILE 32 HB ILE 32 -3.890 -0.578 3.322 244 HG12 ILE 32 2HG1 ILE 32 -4.691 -0.861 0.435 245 HG13 ILE 32 1HG1 ILE 32 -3.908 0.598 1.034 246 HG21 ILE 32 1HG2 ILE 32 -4.376 -2.841 2.544 247 HG22 ILE 32 2HG2 ILE 32 -5.889 -2.284 1.836 248 HG23 ILE 32 3HG2 ILE 32 -5.693 -2.274 3.583 249 HD11 ILE 32 3HD1 ILE 32 -1.966 -0.689 1.715 250 HD12 ILE 32 1HD1 ILE 32 -2.300 -0.922 0.003 251 HD13 ILE 32 2HD1 ILE 32 -2.739 -2.173 1.170 252 H LEU 33 H LEU 33 -4.631 1.243 4.774 253 HA LEU 33 HA LEU 33 -4.277 3.915 3.581 254 HB2 LEU 33 2HB LEU 33 -4.229 3.004 6.461 255 HB3 LEU 33 1HB LEU 33 -4.105 4.659 5.882 256 HG LEU 33 HG LEU 33 -6.525 2.923 5.444 257 HD11 LEU 33 1HD1 LEU 33 -6.091 5.051 7.545 258 HD12 LEU 33 2HD1 LEU 33 -6.233 3.310 7.831 259 HD13 LEU 33 3HD1 LEU 33 -7.607 4.214 7.195 260 HD21 LEU 33 3HD2 LEU 33 -7.629 5.054 4.937 261 HD22 LEU 33 1HD2 LEU 33 -6.300 4.707 3.830 262 HD23 LEU 33 2HD2 LEU 33 -6.084 5.884 5.126 263 H ALA 34 H ALA 34 -2.337 4.336 3.001 264 HA ALA 34 HA ALA 34 -0.151 2.866 4.264 265 HB1 ALA 34 1HB ALA 34 -0.666 1.818 2.120 266 HB2 ALA 34 2HB ALA 34 0.903 2.621 2.077 267 HB3 ALA 34 3HB ALA 34 -0.495 3.377 1.315 268 H HIS 35 H HIS 35 1.813 3.988 4.236 269 HA HIS 35 HA HIS 35 1.427 6.901 3.889 270 HB2 HIS 35 2HB HIS 35 1.837 5.883 6.250 271 HB3 HIS 35 1HB HIS 35 3.486 5.640 5.683 272 HD1 HIS 35 1HD HIS 35 4.908 7.871 5.199 273 HD2 HIS 35 2HD HIS 35 1.170 8.445 6.928 274 HE1 HIS 35 1HE HIS 35 4.927 10.198 6.095 275 HE2 HIS 35 2HE HIS 35 2.500 10.594 6.673 276 H VAL 36 H VAL 36 3.154 8.007 2.858 277 HA VAL 36 HA VAL 36 4.834 6.250 1.335 278 HB VAL 36 HB VAL 36 5.809 8.304 0.321 279 HG11 VAL 36 1HG1 VAL 36 2.827 7.967 0.192 280 HG12 VAL 36 2HG1 VAL 36 4.037 7.163 -0.816 281 HG13 VAL 36 3HG1 VAL 36 3.778 8.898 -0.957 282 HG21 VAL 36 3HG2 VAL 36 3.679 9.708 1.926 283 HG22 VAL 36 1HG2 VAL 36 4.658 10.453 0.663 284 HG23 VAL 36 2HG2 VAL 36 5.422 9.876 2.145 285 H SER 37 H SER 37 6.988 6.134 1.301 286 HA SER 37 HA SER 37 8.362 6.274 3.737 287 HB2 SER 37 2HB SER 37 10.341 5.684 2.402 288 HB3 SER 37 1HB SER 37 8.956 4.691 1.942 289 HG SER 37 HG SER 37 8.804 5.669 0.100 290 H GLY 38 H GLY 38 10.349 7.510 4.096 291 HA2 GLY 38 2HA GLY 38 10.072 10.240 4.000 292 HA3 GLY 38 1HA GLY 38 11.594 9.402 4.217 293 H LYS 39 H LYS 39 10.908 8.209 1.310 294 HA LYS 39 HA LYS 39 12.648 9.921 -0.123 295 HB2 LYS 39 2HB LYS 39 10.564 8.020 -1.215 296 HB3 LYS 39 1HB LYS 39 11.916 8.687 -2.105 297 HG2 LYS 39 2HG LYS 39 13.464 7.424 -0.705 298 HG3 LYS 39 1HG LYS 39 12.102 6.780 0.221 299 HD2 LYS 39 2HD LYS 39 11.187 5.816 -1.869 300 HD3 LYS 39 1HD LYS 39 12.618 6.381 -2.726 301 HE2 LYS 39 2HE LYS 39 14.022 4.968 -1.310 302 HE3 LYS 39 1HE LYS 39 12.592 4.419 -0.436 303 HZ1 LYS 39 3HZ LYS 39 13.160 3.974 -3.318 304 HZ2 LYS 39 1HZ LYS 39 11.726 3.544 -2.535 305 HZ3 LYS 39 2HZ LYS 39 13.179 2.797 -2.096 306 H ILE 40 H ILE 40 9.153 9.507 -0.041 307 HA ILE 40 HA ILE 40 8.703 11.667 -1.931 308 HB ILE 40 HB ILE 40 6.792 9.734 -0.591 309 HG12 ILE 40 2HG1 ILE 40 7.904 9.759 -3.407 310 HG13 ILE 40 1HG1 ILE 40 8.375 8.654 -2.126 311 HG21 ILE 40 1HG2 ILE 40 5.131 10.447 -2.271 312 HG22 ILE 40 2HG2 ILE 40 6.247 11.696 -2.829 313 HG23 ILE 40 3HG2 ILE 40 5.601 11.760 -1.193 314 HD11 ILE 40 3HD1 ILE 40 5.649 8.836 -3.389 315 HD12 ILE 40 1HD1 ILE 40 6.123 7.713 -2.115 316 HD13 ILE 40 2HD1 ILE 40 6.865 7.598 -3.712 317 H ARG 41 H ARG 41 8.670 11.088 1.442 318 HA ARG 41 HA ARG 41 6.918 13.245 2.098 319 HB2 ARG 41 2HB ARG 41 7.369 11.318 3.671 320 HB3 ARG 41 1HB ARG 41 9.002 11.925 3.879 321 HG2 ARG 41 2HG ARG 41 6.577 13.566 4.613 322 HG3 ARG 41 1HG ARG 41 7.336 12.442 5.736 323 HD2 ARG 41 2HD ARG 41 9.359 13.681 5.744 324 HD3 ARG 41 1HD ARG 41 8.866 14.633 4.351 325 HE ARG 41 HE ARG 41 7.733 14.841 7.048 326 HH11 ARG 41 1HH1 ARG 41 8.355 16.258 3.831 327 HH12 ARG 41 2HH1 ARG 41 8.070 17.854 4.277 328 HH21 ARG 41 1HH2 ARG 41 7.304 17.120 7.711 329 HH22 ARG 41 2HH2 ARG 41 7.443 18.367 6.566 330 H MET 42 H MET 42 10.465 12.849 1.981 331 HA MET 42 HA MET 42 10.937 15.606 2.544 332 HB2 MET 42 2HB MET 42 12.722 13.339 1.713 333 HB3 MET 42 1HB MET 42 13.318 14.988 1.716 334 HG2 MET 42 2HG MET 42 13.946 13.816 3.753 335 HG3 MET 42 1HG MET 42 12.877 15.165 4.103 336 HE1 MET 42 3HE MET 42 13.619 12.816 6.160 337 HE2 MET 42 1HE MET 42 12.043 12.521 6.895 338 HE3 MET 42 2HE MET 42 12.569 14.172 6.567 339 H ASN 43 H ASN 43 10.951 13.631 -0.395 340 HA ASN 43 HA ASN 43 11.224 16.111 -1.947 341 HB2 ASN 43 2HB ASN 43 11.540 13.252 -2.913 342 HB3 ASN 43 1HB ASN 43 11.834 14.716 -3.841 343 HD21 ASN 43 1HD2 ASN 43 13.018 12.572 -1.439 344 HD22 ASN 43 2HD2 ASN 43 14.639 13.207 -1.366 345 H TYR 44 H TYR 44 9.301 16.833 -2.416 346 HA TYR 44 HA TYR 44 6.972 15.270 -2.212 347 HB2 TYR 44 2HB TYR 44 7.022 17.694 -1.771 348 HB3 TYR 44 1HB TYR 44 7.297 17.985 -3.483 349 HD1 TYR 44 1HD TYR 44 4.835 16.510 -1.104 350 HD2 TYR 44 2HD TYR 44 5.445 18.255 -4.940 351 HE1 TYR 44 1HE TYR 44 2.399 16.613 -1.440 352 HE2 TYR 44 2HE TYR 44 3.010 18.358 -5.284 353 HH TYR 44 HH TYR 44 0.839 17.939 -2.751 354 H ILE 45 H ILE 45 7.095 13.488 -3.586 355 HA ILE 45 HA ILE 45 7.081 13.950 -6.371 356 HB ILE 45 HB ILE 45 7.498 11.733 -4.418 357 HG12 ILE 45 2HG1 ILE 45 9.054 12.544 -6.878 358 HG13 ILE 45 1HG1 ILE 45 9.443 12.984 -5.220 359 HG21 ILE 45 1HG2 ILE 45 6.734 11.278 -7.250 360 HG22 ILE 45 2HG2 ILE 45 5.872 10.986 -5.717 361 HG23 ILE 45 3HG2 ILE 45 7.340 10.045 -6.081 362 HD11 ILE 45 3HD1 ILE 45 9.830 10.627 -4.691 363 HD12 ILE 45 1HD1 ILE 45 10.856 11.173 -6.019 364 HD13 ILE 45 2HD1 ILE 45 9.429 10.191 -6.351 365 H ARG 46 H ARG 46 5.101 14.121 -7.244 366 HA ARG 46 HA ARG 46 2.865 13.832 -5.509 367 HB2 ARG 46 2HB ARG 46 3.373 15.363 -7.809 368 HB3 ARG 46 1HB ARG 46 2.017 14.316 -8.205 369 HG2 ARG 46 2HG ARG 46 2.170 16.150 -5.810 370 HG3 ARG 46 1HG ARG 46 1.269 16.462 -7.293 371 HD2 ARG 46 2HD ARG 46 -0.190 14.602 -6.874 372 HD3 ARG 46 1HD ARG 46 0.781 14.073 -5.506 373 HE ARG 46 HE ARG 46 0.037 16.622 -4.919 374 HH11 ARG 46 1HH1 ARG 46 -1.653 13.539 -5.521 375 HH12 ARG 46 2HH1 ARG 46 -3.030 13.940 -4.612 376 HH21 ARG 46 1HH2 ARG 46 -1.904 17.169 -3.655 377 HH22 ARG 46 2HH2 ARG 46 -3.183 16.051 -3.530 378 H ILE 47 H ILE 47 1.665 12.211 -5.230 379 HA ILE 47 HA ILE 47 1.545 10.055 -7.190 380 HB ILE 47 HB ILE 47 0.531 10.191 -4.326 381 HG12 ILE 47 2HG1 ILE 47 2.987 10.229 -4.372 382 HG13 ILE 47 1HG1 ILE 47 2.394 8.713 -3.712 383 HG21 ILE 47 1HG2 ILE 47 -0.750 8.650 -5.668 384 HG22 ILE 47 2HG2 ILE 47 0.236 7.769 -4.497 385 HG23 ILE 47 3HG2 ILE 47 0.726 7.838 -6.192 386 HD11 ILE 47 3HD1 ILE 47 4.296 8.343 -5.166 387 HD12 ILE 47 1HD1 ILE 47 3.465 9.155 -6.494 388 HD13 ILE 47 2HD1 ILE 47 2.844 7.628 -5.868 389 H LEU 48 H LEU 48 -0.370 9.780 -8.327 390 HA LEU 48 HA LEU 48 -2.541 11.506 -7.550 391 HB2 LEU 48 2HB LEU 48 -1.431 10.952 -10.253 392 HB3 LEU 48 1HB LEU 48 -3.148 11.251 -10.092 393 HG LEU 48 HG LEU 48 -2.558 13.353 -8.908 394 HD11 LEU 48 1HD1 LEU 48 -0.341 14.361 -9.394 395 HD12 LEU 48 2HD1 LEU 48 0.170 12.836 -10.112 396 HD13 LEU 48 3HD1 LEU 48 -0.214 12.913 -8.393 397 HD21 LEU 48 3HD2 LEU 48 -1.801 13.077 -11.813 398 HD22 LEU 48 1HD2 LEU 48 -2.159 14.604 -11.007 399 HD23 LEU 48 2HD2 LEU 48 -3.412 13.372 -11.157 400 HA PRO 49 HA PRO 49 -5.189 8.016 -7.109 401 HB2 PRO 49 2HB PRO 49 -7.051 9.851 -8.589 402 HB3 PRO 49 1HB PRO 49 -7.353 8.915 -7.104 403 HG2 PRO 49 2HG PRO 49 -6.944 11.473 -6.865 404 HG3 PRO 49 1HG PRO 49 -6.096 10.364 -5.759 405 HD2 PRO 49 2HD PRO 49 -5.028 11.793 -8.142 406 HD3 PRO 49 1HD PRO 49 -4.287 11.500 -6.553 407 H GLY 50 H GLY 50 -5.187 6.323 -8.402 408 HA2 GLY 50 2HA GLY 50 -5.733 5.215 -10.473 409 HA3 GLY 50 1HA GLY 50 -5.295 6.695 -11.321 410 H ASP 51 H ASP 51 -2.935 6.760 -9.216 411 HA ASP 51 HA ASP 51 -1.006 5.465 -10.879 412 HB2 ASP 51 2HB ASP 51 -0.855 6.968 -8.310 413 HB3 ASP 51 1HB ASP 51 0.442 5.846 -8.661 414 H LYS 52 H LYS 52 0.337 3.807 -10.350 415 HA LYS 52 HA LYS 52 -0.734 1.860 -8.446 416 HB2 LYS 52 2HB LYS 52 -0.691 1.054 -10.779 417 HB3 LYS 52 1HB LYS 52 1.005 1.513 -10.890 418 HG2 LYS 52 2HG LYS 52 1.656 -0.200 -9.385 419 HG3 LYS 52 1HG LYS 52 -0.027 -0.598 -9.028 420 HD2 LYS 52 2HD LYS 52 -0.387 -1.489 -11.174 421 HD3 LYS 52 1HD LYS 52 1.065 -0.726 -11.823 422 HE2 LYS 52 2HE LYS 52 1.103 -2.862 -9.703 423 HE3 LYS 52 1HE LYS 52 1.247 -3.192 -11.430 424 HZ1 LYS 52 3HZ LYS 52 3.378 -2.999 -10.190 425 HZ2 LYS 52 1HZ LYS 52 3.071 -1.368 -9.963 426 HZ3 LYS 52 2HZ LYS 52 3.236 -1.951 -11.543 427 H VAL 53 H VAL 53 0.510 1.395 -6.737 428 HA VAL 53 HA VAL 53 3.316 2.189 -6.829 429 HB VAL 53 HB VAL 53 3.212 3.017 -4.503 430 HG11 VAL 53 1HG1 VAL 53 2.137 5.195 -4.971 431 HG12 VAL 53 2HG1 VAL 53 1.392 4.500 -6.411 432 HG13 VAL 53 3HG1 VAL 53 3.146 4.651 -6.311 433 HG21 VAL 53 3HG2 VAL 53 1.021 3.606 -3.503 434 HG22 VAL 53 1HG2 VAL 53 1.207 1.866 -3.732 435 HG23 VAL 53 2HG2 VAL 53 0.216 2.803 -4.849 436 H THR 54 H THR 54 4.634 1.169 -5.208 437 HA THR 54 HA THR 54 3.735 -1.534 -4.703 438 HB THR 54 HB THR 54 6.473 -0.323 -4.286 439 HG1 THR 54 1HG THR 54 5.289 -1.350 -6.711 440 HG21 THR 54 3HG2 THR 54 7.223 -2.636 -4.660 441 HG22 THR 54 1HG2 THR 54 5.552 -3.143 -4.907 442 HG23 THR 54 2HG2 THR 54 6.069 -2.560 -3.327 443 H VAL 55 H VAL 55 3.007 -1.991 -2.710 444 HA VAL 55 HA VAL 55 3.800 -0.210 -0.529 445 HB VAL 55 HB VAL 55 1.344 -0.150 -1.040 446 HG11 VAL 55 1HG1 VAL 55 0.941 -2.458 -1.763 447 HG12 VAL 55 2HG1 VAL 55 -0.130 -2.016 -0.431 448 HG13 VAL 55 3HG1 VAL 55 1.251 -3.034 -0.123 449 HG21 VAL 55 3HG2 VAL 55 2.094 -1.282 1.629 450 HG22 VAL 55 1HG2 VAL 55 0.561 -0.473 1.279 451 HG23 VAL 55 2HG2 VAL 55 2.086 0.412 1.158 452 H GLU 56 H GLU 56 5.087 -1.085 0.980 453 HA GLU 56 HA GLU 56 5.078 -3.977 1.068 454 HB2 GLU 56 2HB GLU 56 7.192 -3.955 2.261 455 HB3 GLU 56 1HB GLU 56 7.333 -2.960 0.833 456 HG2 GLU 56 2HG GLU 56 6.878 -1.852 3.594 457 HG3 GLU 56 1HG GLU 56 8.470 -2.134 2.913 458 H MET 57 H MET 57 4.411 -5.115 2.665 459 HA MET 57 HA MET 57 3.653 -3.905 5.159 460 HB2 MET 57 2HB MET 57 1.275 -4.860 4.874 461 HB3 MET 57 1HB MET 57 1.653 -3.293 4.151 462 HG2 MET 57 2HG MET 57 1.739 -4.289 1.991 463 HG3 MET 57 1HG MET 57 1.689 -5.908 2.687 464 HE1 MET 57 3HE MET 57 -0.317 -2.498 2.740 465 HE2 MET 57 1HE MET 57 -0.506 -3.194 4.352 466 HE3 MET 57 2HE MET 57 -1.900 -3.081 3.284 467 H SER 58 H SER 58 2.935 -5.412 6.702 468 HA SER 58 HA SER 58 4.158 -7.994 6.221 469 HB2 SER 58 2HB SER 58 3.177 -6.673 8.766 470 HB3 SER 58 1HB SER 58 3.975 -8.246 8.688 471 HG SER 58 HG SER 58 5.806 -7.278 7.933 472 HA PRO 59 HA PRO 59 0.257 -10.042 5.595 473 HB2 PRO 59 2HB PRO 59 0.877 -12.529 6.583 474 HB3 PRO 59 1HB PRO 59 1.432 -11.952 4.997 475 HG2 PRO 59 2HG PRO 59 2.908 -12.037 7.574 476 HG3 PRO 59 1HG PRO 59 3.471 -12.420 5.935 477 HD2 PRO 59 2HD PRO 59 4.053 -10.090 7.120 478 HD3 PRO 59 1HD PRO 59 3.774 -10.206 5.367 479 H TYR 60 H TYR 60 1.644 -9.643 8.635 480 HA TYR 60 HA TYR 60 -0.505 -10.768 10.198 481 HB2 TYR 60 2HB TYR 60 1.857 -10.710 11.005 482 HB3 TYR 60 1HB TYR 60 1.786 -8.957 11.029 483 HD1 TYR 60 1HD TYR 60 0.225 -11.989 12.528 484 HD2 TYR 60 2HD TYR 60 1.092 -7.847 12.986 485 HE1 TYR 60 1HE TYR 60 -0.549 -12.090 14.859 486 HE2 TYR 60 2HE TYR 60 0.314 -7.937 15.318 487 HH TYR 60 HH TYR 60 -0.238 -10.859 16.958 488 H ASP 61 H ASP 61 -0.115 -7.970 8.395 489 HA ASP 61 HA ASP 61 -2.155 -6.542 9.975 490 HB2 ASP 61 2HB ASP 61 0.164 -5.372 9.937 491 HB3 ASP 61 1HB ASP 61 -0.072 -5.209 8.223 492 H LEU 62 H LEU 62 -0.616 -6.190 6.847 493 HA LEU 62 HA LEU 62 -1.271 -6.023 4.707 494 HB2 LEU 62 2HB LEU 62 -2.234 -8.381 5.583 495 HB3 LEU 62 1HB LEU 62 -3.730 -7.611 5.092 496 HG LEU 62 HG LEU 62 -2.577 -7.182 2.832 497 HD11 LEU 62 1HD1 LEU 62 -0.683 -9.202 3.976 498 HD12 LEU 62 2HD1 LEU 62 -0.303 -7.545 3.496 499 HD13 LEU 62 3HD1 LEU 62 -0.771 -8.739 2.284 500 HD21 LEU 62 3HD2 LEU 62 -3.092 -9.446 2.037 501 HD22 LEU 62 1HD2 LEU 62 -4.338 -8.867 3.143 502 HD23 LEU 62 2HD2 LEU 62 -3.130 -10.025 3.701 503 H THR 63 H THR 63 -2.748 -4.261 6.895 504 HA THR 63 HA THR 63 -4.446 -3.219 4.816 505 HB THR 63 HB THR 63 -5.978 -4.260 6.347 506 HG1 THR 63 1HG THR 63 -5.924 -1.505 6.183 507 HG21 THR 63 3HG2 THR 63 -6.199 -3.570 8.701 508 HG22 THR 63 1HG2 THR 63 -4.782 -2.535 8.521 509 HG23 THR 63 2HG2 THR 63 -4.618 -4.282 8.373 510 H ARG 64 H ARG 64 -1.905 -2.623 6.850 511 HA ARG 64 HA ARG 64 -1.928 0.205 6.117 512 HB2 ARG 64 2HB ARG 64 -1.039 -1.134 8.661 513 HB3 ARG 64 1HB ARG 64 -0.240 0.326 8.139 514 HG2 ARG 64 2HG ARG 64 -1.860 0.943 9.761 515 HG3 ARG 64 1HG ARG 64 -2.506 1.445 8.206 516 HD2 ARG 64 2HD ARG 64 -4.238 0.450 9.584 517 HD3 ARG 64 1HD ARG 64 -3.924 -0.550 8.167 518 HE ARG 64 HE ARG 64 -2.494 -1.930 9.720 519 HH11 ARG 64 1HH1 ARG 64 -5.342 -0.196 10.916 520 HH12 ARG 64 2HH1 ARG 64 -5.602 -1.260 12.226 521 HH21 ARG 64 1HH2 ARG 64 -2.790 -3.271 11.387 522 HH22 ARG 64 2HH2 ARG 64 -4.057 -3.166 12.541 523 H GLY 65 H GLY 65 -0.048 0.857 5.145 524 HA2 GLY 65 2HA GLY 65 2.221 -0.964 5.112 525 HA3 GLY 65 1HA GLY 65 1.385 -0.740 3.590 526 H ARG 66 H ARG 66 3.657 0.056 3.063 527 HA ARG 66 HA ARG 66 3.586 2.943 3.357 528 HB2 ARG 66 2HB ARG 66 5.166 2.000 5.022 529 HB3 ARG 66 1HB ARG 66 6.037 1.223 3.709 530 HG2 ARG 66 2HG ARG 66 6.288 3.585 2.748 531 HG3 ARG 66 1HG ARG 66 5.826 4.135 4.358 532 HD2 ARG 66 2HD ARG 66 8.106 2.349 3.635 533 HD3 ARG 66 1HD ARG 66 8.201 4.043 4.101 534 HE ARG 66 HE ARG 66 7.544 3.454 6.323 535 HH11 ARG 66 1HH1 ARG 66 8.156 0.615 4.288 536 HH12 ARG 66 2HH1 ARG 66 8.615 -0.417 5.533 537 HH21 ARG 66 1HH2 ARG 66 8.164 2.010 8.144 538 HH22 ARG 66 2HH2 ARG 66 8.609 0.402 7.806 539 H ILE 67 H ILE 67 4.547 3.968 1.593 540 HA ILE 67 HA ILE 67 4.890 2.283 -0.756 541 HB ILE 67 HB ILE 67 4.409 5.232 -0.474 542 HG12 ILE 67 2HG1 ILE 67 2.555 4.588 -2.169 543 HG13 ILE 67 1HG1 ILE 67 3.003 2.943 -1.681 544 HG21 ILE 67 1HG2 ILE 67 5.136 3.803 -3.028 545 HG22 ILE 67 2HG2 ILE 67 6.120 4.972 -2.155 546 HG23 ILE 67 3HG2 ILE 67 4.604 5.492 -2.909 547 HD11 ILE 67 3HD1 ILE 67 2.023 5.091 0.181 548 HD12 ILE 67 1HD1 ILE 67 2.419 3.428 0.600 549 HD13 ILE 67 2HD1 ILE 67 1.042 3.766 -0.456 550 H THR 68 H THR 68 6.779 1.646 -1.185 551 HA THR 68 HA THR 68 9.071 3.299 -0.548 552 HB THR 68 HB THR 68 10.230 1.206 -1.645 553 HG1 THR 68 1HG THR 68 7.979 -0.075 -0.527 554 HG21 THR 68 3HG2 THR 68 10.308 0.211 0.614 555 HG22 THR 68 1HG2 THR 68 8.949 1.247 1.054 556 HG23 THR 68 2HG2 THR 68 10.515 1.972 0.654 557 H TYR 69 H TYR 69 7.174 2.447 -3.341 558 HA TYR 69 HA TYR 69 8.713 4.227 -4.995 559 HB2 TYR 69 2HB TYR 69 9.958 2.013 -4.971 560 HB3 TYR 69 1HB TYR 69 8.499 1.339 -5.690 561 HD1 TYR 69 1HD TYR 69 10.633 4.350 -6.392 562 HD2 TYR 69 2HD TYR 69 8.739 0.874 -7.946 563 HE1 TYR 69 1HE TYR 69 11.461 4.909 -8.641 564 HE2 TYR 69 2HE TYR 69 9.559 1.433 -10.199 565 HH TYR 69 HH TYR 69 11.939 3.756 -10.784 566 H ARG 70 H ARG 70 7.629 4.510 -7.095 567 HA ARG 70 HA ARG 70 4.869 3.561 -7.068 568 HB2 ARG 70 2HB ARG 70 4.302 5.405 -8.439 569 HB3 ARG 70 1HB ARG 70 5.155 6.063 -7.032 570 HG2 ARG 70 2HG ARG 70 7.201 5.902 -8.773 571 HG3 ARG 70 1HG ARG 70 5.902 6.023 -9.938 572 HD2 ARG 70 2HD ARG 70 6.784 8.033 -7.872 573 HD3 ARG 70 1HD ARG 70 6.793 8.202 -9.609 574 HE ARG 70 HE ARG 70 4.946 9.265 -8.023 575 HH11 ARG 70 1HH1 ARG 70 4.326 6.727 -10.530 576 HH12 ARG 70 2HH1 ARG 70 2.735 7.320 -10.766 577 HH21 ARG 70 1HH2 ARG 70 2.844 10.053 -8.632 578 HH22 ARG 70 2HH2 ARG 70 1.911 9.128 -9.712 579 H TYR 71 H TYR 71 4.777 1.775 -8.262 580 HA TYR 71 HA TYR 71 6.687 1.575 -10.430 581 HB2 TYR 71 2HB TYR 71 6.973 0.083 -8.583 582 HB3 TYR 71 1HB TYR 71 5.346 -0.529 -8.874 583 HD1 TYR 71 1HD TYR 71 8.309 0.127 -11.082 584 HD2 TYR 71 2HD TYR 71 5.349 -2.664 -9.861 585 HE1 TYR 71 1HE TYR 71 9.138 -1.468 -12.745 586 HE2 TYR 71 2HE TYR 71 6.169 -4.271 -11.528 587 HH TYR 71 HH TYR 71 7.401 -4.397 -13.438 588 H LYS 72 H LYS 72 6.069 1.328 -12.398 589 HA LYS 72 HA LYS 72 3.287 1.022 -13.002 590 HB2 LYS 72 2HB LYS 72 3.938 1.379 -15.374 591 HB3 LYS 72 1HB LYS 72 4.677 2.602 -14.366 592 HG2 LYS 72 2HG LYS 72 6.493 2.115 -15.644 593 HG3 LYS 72 1HG LYS 72 6.699 0.819 -14.465 594 HD2 LYS 72 2HD LYS 72 5.114 -0.497 -16.106 595 HD3 LYS 72 1HD LYS 72 5.693 0.684 -17.279 596 HE2 LYS 72 2HE LYS 72 7.051 -1.345 -17.332 597 HE3 LYS 72 1HE LYS 72 8.004 0.033 -16.773 598 HZ1 LYS 72 3HZ LYS 72 8.121 -2.201 -15.431 599 HZ2 LYS 72 1HZ LYS 72 6.622 -1.696 -14.851 600 HZ3 LYS 72 2HZ LYS 72 7.955 -0.745 -14.569 Start of MODEL 3 1 H1 MET 1 1HT MET 1 9.981 -15.326 7.003 2 H2 MET 1 2HT MET 1 10.609 -16.736 7.641 3 H3 MET 1 3HT MET 1 8.925 -16.579 7.381 4 HA MET 1 HA MET 1 9.988 -17.973 5.778 5 HB2 MET 1 2HB MET 1 8.736 -15.411 4.811 6 HB3 MET 1 1HB MET 1 9.203 -16.681 3.693 7 HG2 MET 1 2HG MET 1 6.856 -16.868 4.214 8 HG3 MET 1 1HG MET 1 7.725 -18.251 4.864 9 HE1 MET 1 2HE MET 1 5.863 -14.810 7.322 10 HE2 MET 1 3HE MET 1 5.623 -15.074 5.595 11 HE3 MET 1 1HE MET 1 7.189 -14.526 6.193 12 H ALA 2 H ALA 2 10.995 -14.653 4.731 13 HA ALA 2 HA ALA 2 13.659 -15.821 4.367 14 HB1 ALA 2 1HB ALA 2 12.454 -16.425 2.325 15 HB2 ALA 2 2HB ALA 2 13.792 -15.321 2.003 16 HB3 ALA 2 3HB ALA 2 12.135 -14.718 2.017 17 H LYS 3 H LYS 3 12.001 -13.243 5.467 18 HA LYS 3 HA LYS 3 14.251 -11.400 4.980 19 HB2 LYS 3 2HB LYS 3 11.430 -10.378 4.927 20 HB3 LYS 3 1HB LYS 3 12.871 -9.643 4.281 21 HG2 LYS 3 2HG LYS 3 12.757 -10.999 2.311 22 HG3 LYS 3 1HG LYS 3 11.471 -11.994 3.014 23 HD2 LYS 3 2HD LYS 3 10.100 -9.876 3.212 24 HD3 LYS 3 1HD LYS 3 11.329 -9.080 2.238 25 HE2 LYS 3 2HE LYS 3 10.873 -10.562 0.383 26 HE3 LYS 3 1HE LYS 3 9.745 -11.496 1.369 27 HZ1 LYS 3 3HZ LYS 3 8.444 -9.302 1.591 28 HZ2 LYS 3 1HZ LYS 3 8.422 -9.948 0.047 29 HZ3 LYS 3 2HZ LYS 3 9.397 -8.735 0.315 30 H GLN 4 H GLN 4 13.432 -9.345 6.454 31 HA GLN 4 HA GLN 4 12.126 -10.249 8.878 32 HB2 GLN 4 2HB GLN 4 13.706 -8.216 8.820 33 HB3 GLN 4 1HB GLN 4 12.545 -7.421 7.768 34 HG2 GLN 4 2HG GLN 4 12.329 -6.601 10.032 35 HG3 GLN 4 1HG GLN 4 10.881 -7.488 9.566 36 HE21 GLN 4 1HE2 GLN 4 13.706 -7.482 11.579 37 HE22 GLN 4 2HE2 GLN 4 13.192 -8.794 12.591 38 H ASP 5 H ASP 5 10.247 -11.112 8.215 39 HA ASP 5 HA ASP 5 9.358 -10.626 5.675 40 HB2 ASP 5 2HB ASP 5 7.910 -12.220 7.737 41 HB3 ASP 5 1HB ASP 5 7.534 -12.103 6.012 42 H VAL 6 H VAL 6 8.543 -9.223 4.850 43 HA VAL 6 HA VAL 6 6.014 -8.065 5.695 44 HB VAL 6 HB VAL 6 8.418 -6.608 4.527 45 HG11 VAL 6 1HG1 VAL 6 5.680 -5.535 5.228 46 HG12 VAL 6 2HG1 VAL 6 6.348 -5.710 3.604 47 HG13 VAL 6 3HG1 VAL 6 7.059 -4.552 4.737 48 HG21 VAL 6 3HG2 VAL 6 7.113 -6.254 7.224 49 HG22 VAL 6 1HG2 VAL 6 8.412 -5.247 6.582 50 HG23 VAL 6 2HG2 VAL 6 8.698 -6.958 6.912 51 H ILE 7 H ILE 7 4.692 -7.757 3.797 52 HA ILE 7 HA ILE 7 5.745 -9.183 1.456 53 HB ILE 7 HB ILE 7 2.846 -8.824 2.309 54 HG12 ILE 7 2HG1 ILE 7 4.613 -11.282 2.467 55 HG13 ILE 7 1HG1 ILE 7 4.099 -10.303 3.835 56 HG21 ILE 7 1HG2 ILE 7 4.058 -10.515 0.113 57 HG22 ILE 7 2HG2 ILE 7 3.107 -9.049 -0.118 58 HG23 ILE 7 3HG2 ILE 7 2.353 -10.490 0.566 59 HD11 ILE 7 3HD1 ILE 7 1.774 -10.927 3.401 60 HD12 ILE 7 1HD1 ILE 7 2.790 -12.346 3.658 61 HD13 ILE 7 2HD1 ILE 7 2.294 -11.899 2.026 62 H GLU 8 H GLU 8 5.694 -8.191 -0.484 63 HA GLU 8 HA GLU 8 4.735 -5.463 -0.518 64 HB2 GLU 8 2HB GLU 8 6.189 -5.247 -2.575 65 HB3 GLU 8 1HB GLU 8 7.056 -5.523 -1.081 66 HG2 GLU 8 2HG GLU 8 6.444 -7.721 -3.063 67 HG3 GLU 8 1HG GLU 8 7.907 -6.747 -3.131 68 H LEU 9 H LEU 9 2.972 -5.039 -1.475 69 HA LEU 9 HA LEU 9 1.895 -6.771 -3.620 70 HB2 LEU 9 2HB LEU 9 0.345 -5.262 -1.489 71 HB3 LEU 9 1HB LEU 9 -0.353 -6.221 -2.775 72 HG LEU 9 HG LEU 9 1.185 -7.256 -0.373 73 HD11 LEU 9 1HD1 LEU 9 -1.680 -7.568 -1.202 74 HD12 LEU 9 2HD1 LEU 9 -1.067 -6.582 0.127 75 HD13 LEU 9 3HD1 LEU 9 -0.908 -8.336 0.184 76 HD21 LEU 9 3HD2 LEU 9 0.693 -9.497 -1.242 77 HD22 LEU 9 1HD2 LEU 9 1.723 -8.603 -2.360 78 HD23 LEU 9 2HD2 LEU 9 0.002 -8.786 -2.700 79 H GLU 10 H GLU 10 0.413 -5.497 -5.065 80 HA GLU 10 HA GLU 10 1.277 -2.690 -5.077 81 HB2 GLU 10 2HB GLU 10 1.145 -4.426 -7.524 82 HB3 GLU 10 1HB GLU 10 1.358 -2.685 -7.533 83 HG2 GLU 10 2HG GLU 10 3.392 -3.296 -5.962 84 HG3 GLU 10 1HG GLU 10 3.264 -4.827 -6.831 85 H GLY 11 H GLY 11 -0.206 -1.230 -5.324 86 HA2 GLY 11 2HA GLY 11 -2.760 -2.045 -6.470 87 HA3 GLY 11 1HA GLY 11 -2.757 -1.434 -4.824 88 H THR 12 H THR 12 -4.307 -0.088 -6.292 89 HA THR 12 HA THR 12 -2.889 2.136 -7.573 90 HB THR 12 HB THR 12 -5.845 1.572 -7.529 91 HG1 THR 12 1HG THR 12 -5.188 -0.170 -8.342 92 HG21 THR 12 3HG2 THR 12 -5.131 3.777 -8.381 93 HG22 THR 12 1HG2 THR 12 -5.799 2.787 -9.679 94 HG23 THR 12 2HG2 THR 12 -4.054 2.986 -9.530 95 H VAL 13 H VAL 13 -2.971 4.132 -6.633 96 HA VAL 13 HA VAL 13 -4.483 4.352 -4.175 97 HB VAL 13 HB VAL 13 -2.338 5.176 -3.737 98 HG11 VAL 13 1HG1 VAL 13 -1.546 5.220 -5.902 99 HG12 VAL 13 2HG1 VAL 13 -1.130 6.718 -5.069 100 HG13 VAL 13 3HG1 VAL 13 -2.432 6.708 -6.294 101 HG21 VAL 13 3HG2 VAL 13 -2.558 7.571 -3.287 102 HG22 VAL 13 1HG2 VAL 13 -4.066 6.732 -2.899 103 HG23 VAL 13 2HG2 VAL 13 -3.935 7.652 -4.389 104 H LEU 14 H LEU 14 -6.213 5.392 -3.800 105 HA LEU 14 HA LEU 14 -7.480 6.677 -6.117 106 HB2 LEU 14 2HB LEU 14 -8.767 5.536 -3.635 107 HB3 LEU 14 1HB LEU 14 -9.629 6.355 -4.911 108 HG LEU 14 HG LEU 14 -8.814 4.480 -6.452 109 HD11 LEU 14 1HD1 LEU 14 -8.266 2.371 -5.401 110 HD12 LEU 14 2HD1 LEU 14 -8.260 3.145 -3.815 111 HD13 LEU 14 3HD1 LEU 14 -7.056 3.597 -5.024 112 HD21 LEU 14 3HD2 LEU 14 -11.109 4.670 -5.692 113 HD22 LEU 14 1HD2 LEU 14 -10.699 3.837 -4.192 114 HD23 LEU 14 2HD2 LEU 14 -10.607 2.981 -5.730 115 H ASP 15 H ASP 15 -6.654 7.206 -2.737 116 HA ASP 15 HA ASP 15 -7.720 9.944 -3.009 117 HB2 ASP 15 2HB ASP 15 -8.025 8.137 -0.640 118 HB3 ASP 15 1HB ASP 15 -8.386 9.851 -0.591 119 H THR 16 H THR 16 -6.699 11.505 -1.810 120 HA THR 16 HA THR 16 -3.991 10.873 -0.917 121 HB THR 16 HB THR 16 -3.772 13.404 -1.050 122 HG1 THR 16 1HG THR 16 -6.137 13.633 -0.951 123 HG21 THR 16 3HG2 THR 16 -4.637 12.024 -3.597 124 HG22 THR 16 1HG2 THR 16 -3.023 11.916 -2.897 125 HG23 THR 16 2HG2 THR 16 -3.624 13.463 -3.488 126 H LEU 17 H LEU 17 -3.644 10.812 1.318 127 HA LEU 17 HA LEU 17 -5.747 12.019 2.934 128 HB2 LEU 17 2HB LEU 17 -3.781 9.902 3.822 129 HB3 LEU 17 1HB LEU 17 -5.188 10.448 4.700 130 HG LEU 17 HG LEU 17 -5.032 8.497 2.382 131 HD11 LEU 17 1HD1 LEU 17 -4.784 7.575 4.521 132 HD12 LEU 17 2HD1 LEU 17 -6.327 7.121 3.810 133 HD13 LEU 17 3HD1 LEU 17 -6.270 8.353 5.069 134 HD21 LEU 17 3HD2 LEU 17 -6.825 10.115 1.786 135 HD22 LEU 17 1HD2 LEU 17 -7.545 9.876 3.378 136 HD23 LEU 17 2HD2 LEU 17 -7.480 8.539 2.232 137 HA PRO 18 HA PRO 18 -2.799 14.981 4.520 138 HB2 PRO 18 2HB PRO 18 -3.886 14.417 7.227 139 HB3 PRO 18 1HB PRO 18 -3.819 15.958 6.347 140 HG2 PRO 18 2HG PRO 18 -6.119 14.716 6.649 141 HG3 PRO 18 1HG PRO 18 -5.710 15.521 5.120 142 HD2 PRO 18 2HD PRO 18 -5.674 12.609 5.767 143 HD3 PRO 18 1HD PRO 18 -6.211 13.443 4.294 144 H ASN 19 H ASN 19 -0.845 15.106 5.597 145 HA ASN 19 HA ASN 19 1.066 14.553 6.665 146 HB2 ASN 19 2HB ASN 19 -0.460 14.166 8.636 147 HB3 ASN 19 1HB ASN 19 -0.537 12.468 8.186 148 HD21 ASN 19 1HD2 ASN 19 0.344 11.831 10.152 149 HD22 ASN 19 2HD2 ASN 19 2.004 12.053 10.559 150 H ALA 20 H ALA 20 0.230 13.222 4.244 151 HA ALA 20 HA ALA 20 1.264 12.004 2.692 152 HB1 ALA 20 1HB ALA 20 3.306 11.196 4.770 153 HB2 ALA 20 2HB ALA 20 3.394 12.651 3.781 154 HB3 ALA 20 3HB ALA 20 3.478 11.065 3.018 155 H MET 21 H MET 21 -0.781 10.943 4.528 156 HA MET 21 HA MET 21 -0.368 8.108 4.058 157 HB2 MET 21 2HB MET 21 -2.520 9.677 5.456 158 HB3 MET 21 1HB MET 21 -2.928 8.124 4.745 159 HG2 MET 21 2HG MET 21 -2.498 7.615 6.929 160 HG3 MET 21 1HG MET 21 -1.011 7.222 6.073 161 HE1 MET 21 3HE MET 21 -1.696 10.722 9.008 162 HE2 MET 21 1HE MET 21 -2.803 9.384 8.718 163 HE3 MET 21 2HE MET 21 -2.566 10.617 7.479 164 H PHE 22 H PHE 22 -1.697 6.986 2.587 165 HA PHE 22 HA PHE 22 -3.337 8.613 0.840 166 HB2 PHE 22 2HB PHE 22 -1.055 6.865 -0.145 167 HB3 PHE 22 1HB PHE 22 -2.340 7.468 -1.183 168 HD1 PHE 22 1HD PHE 22 -2.473 9.848 -1.731 169 HD2 PHE 22 2HD PHE 22 0.690 8.317 0.645 170 HE1 PHE 22 1HE PHE 22 -1.206 11.948 -2.058 171 HE2 PHE 22 2HE PHE 22 1.959 10.398 0.312 172 HZ PHE 22 HZ PHE 22 1.005 12.215 -1.039 173 H LYS 23 H LYS 23 -4.974 7.415 -0.165 174 HA LYS 23 HA LYS 23 -5.349 4.868 1.202 175 HB2 LYS 23 2HB LYS 23 -7.185 6.695 1.137 176 HB3 LYS 23 1HB LYS 23 -7.418 6.159 -0.530 177 HG2 LYS 23 2HG LYS 23 -7.665 3.826 0.363 178 HG3 LYS 23 1HG LYS 23 -7.723 4.529 1.975 179 HD2 LYS 23 2HD LYS 23 -9.950 4.282 1.383 180 HD3 LYS 23 1HD LYS 23 -9.613 5.982 1.042 181 HE2 LYS 23 2HE LYS 23 -9.272 5.442 -1.318 182 HE3 LYS 23 1HE LYS 23 -9.593 3.742 -0.980 183 HZ1 LYS 23 3HZ LYS 23 -11.581 4.641 -1.776 184 HZ2 LYS 23 1HZ LYS 23 -11.425 6.024 -0.781 185 HZ3 LYS 23 2HZ LYS 23 -11.758 4.454 -0.119 186 H VAL 24 H VAL 24 -4.701 3.318 0.214 187 HA VAL 24 HA VAL 24 -4.629 3.248 -2.753 188 HB VAL 24 HB VAL 24 -2.837 1.605 -0.944 189 HG11 VAL 24 1HG1 VAL 24 -2.563 2.251 -3.839 190 HG12 VAL 24 2HG1 VAL 24 -3.018 0.703 -3.130 191 HG13 VAL 24 3HG1 VAL 24 -1.400 1.354 -2.864 192 HG21 VAL 24 3HG2 VAL 24 -2.285 3.864 -0.404 193 HG22 VAL 24 1HG2 VAL 24 -2.217 4.309 -2.107 194 HG23 VAL 24 2HG2 VAL 24 -1.016 3.214 -1.442 195 H GLU 25 H GLU 25 -5.297 1.241 -3.792 196 HA GLU 25 HA GLU 25 -6.623 -0.495 -1.895 197 HB2 GLU 25 2HB GLU 25 -8.501 -0.603 -3.162 198 HB3 GLU 25 1HB GLU 25 -7.854 0.788 -3.990 199 HG2 GLU 25 2HG GLU 25 -7.217 -1.965 -4.836 200 HG3 GLU 25 1HG GLU 25 -8.737 -1.226 -5.337 201 H LEU 26 H LEU 26 -6.266 -2.565 -1.834 202 HA LEU 26 HA LEU 26 -3.917 -3.600 -3.198 203 HB2 LEU 26 2HB LEU 26 -5.889 -4.914 -1.344 204 HB3 LEU 26 1HB LEU 26 -4.520 -5.739 -2.045 205 HG LEU 26 HG LEU 26 -4.386 -3.409 -0.149 206 HD11 LEU 26 1HD1 LEU 26 -3.812 -6.349 0.215 207 HD12 LEU 26 2HD1 LEU 26 -5.175 -5.464 0.901 208 HD13 LEU 26 3HD1 LEU 26 -3.532 -5.093 1.419 209 HD21 LEU 26 3HD2 LEU 26 -2.493 -3.404 -1.676 210 HD22 LEU 26 1HD2 LEU 26 -2.227 -5.125 -1.379 211 HD23 LEU 26 2HD2 LEU 26 -1.980 -3.960 -0.085 212 H GLU 27 H GLU 27 -3.993 -5.741 -4.239 213 HA GLU 27 HA GLU 27 -5.632 -5.808 -6.503 214 HB2 GLU 27 2HB GLU 27 -4.161 -8.173 -5.299 215 HB3 GLU 27 1HB GLU 27 -4.585 -7.934 -6.981 216 HG2 GLU 27 2HG GLU 27 -2.334 -7.470 -7.028 217 HG3 GLU 27 1HG GLU 27 -2.987 -5.857 -6.777 218 H ASN 28 H ASN 28 -6.082 -6.878 -3.361 219 HA ASN 28 HA ASN 28 -8.031 -8.981 -3.766 220 HB2 ASN 28 2HB ASN 28 -6.474 -8.611 -1.741 221 HB3 ASN 28 1HB ASN 28 -7.586 -7.356 -1.247 222 HD21 ASN 28 1HD2 ASN 28 -9.986 -9.031 -2.062 223 HD22 ASN 28 2HD2 ASN 28 -10.069 -10.258 -0.847 224 H GLY 29 H GLY 29 -8.190 -5.594 -4.112 225 HA2 GLY 29 2HA GLY 29 -10.061 -4.302 -4.601 226 HA3 GLY 29 1HA GLY 29 -11.092 -5.641 -4.106 227 H HIS 30 H HIS 30 -8.715 -5.000 -1.926 228 HA HIS 30 HA HIS 30 -10.580 -3.866 0.062 229 HB2 HIS 30 2HB HIS 30 -8.762 -5.851 0.348 230 HB3 HIS 30 1HB HIS 30 -7.789 -4.365 0.358 231 HD1 HIS 30 1HD HIS 30 -9.397 -6.582 2.735 232 HD2 HIS 30 2HD HIS 30 -8.452 -2.537 2.591 233 HE1 HIS 30 1HE HIS 30 -9.398 -5.796 5.121 234 HE2 HIS 30 2HE HIS 30 -8.494 -3.446 4.989 235 H GLU 31 H GLU 31 -10.309 -1.718 0.581 236 HA GLU 31 HA GLU 31 -8.018 -0.410 -0.563 237 HB2 GLU 31 2HB GLU 31 -9.168 1.734 -0.084 238 HB3 GLU 31 1HB GLU 31 -10.088 0.667 -1.130 239 HG2 GLU 31 2HG GLU 31 -11.542 0.077 0.729 240 HG3 GLU 31 1HG GLU 31 -10.598 1.126 1.795 241 H ILE 32 H ILE 32 -6.585 0.592 0.598 242 HA ILE 32 HA ILE 32 -6.584 -0.138 3.418 243 HB ILE 32 HB ILE 32 -4.155 -0.693 3.117 244 HG12 ILE 32 2HG1 ILE 32 -4.827 -0.734 0.186 245 HG13 ILE 32 1HG1 ILE 32 -4.024 0.644 0.938 246 HG21 ILE 32 1HG2 ILE 32 -4.562 -2.907 2.215 247 HG22 ILE 32 2HG2 ILE 32 -5.955 -2.312 1.327 248 HG23 ILE 32 3HG2 ILE 32 -6.027 -2.398 3.077 249 HD11 ILE 32 3HD1 ILE 32 -2.152 -0.801 1.563 250 HD12 ILE 32 1HD1 ILE 32 -2.425 -0.801 -0.177 251 HD13 ILE 32 2HD1 ILE 32 -2.959 -2.169 0.802 252 H LEU 33 H LEU 33 -5.207 1.117 4.660 253 HA LEU 33 HA LEU 33 -4.822 3.803 3.570 254 HB2 LEU 33 2HB LEU 33 -4.904 2.814 6.427 255 HB3 LEU 33 1HB LEU 33 -4.846 4.492 5.902 256 HG LEU 33 HG LEU 33 -7.107 2.655 5.169 257 HD11 LEU 33 1HD1 LEU 33 -7.025 2.835 7.613 258 HD12 LEU 33 2HD1 LEU 33 -8.409 3.688 6.936 259 HD13 LEU 33 3HD1 LEU 33 -6.996 4.601 7.484 260 HD21 LEU 33 3HD2 LEU 33 -8.306 4.718 4.728 261 HD22 LEU 33 1HD2 LEU 33 -6.818 4.631 3.784 262 HD23 LEU 33 2HD2 LEU 33 -6.895 5.652 5.223 263 H ALA 34 H ALA 34 -2.775 4.376 3.204 264 HA ALA 34 HA ALA 34 -0.691 2.767 4.462 265 HB1 ALA 34 1HB ALA 34 0.411 2.508 2.320 266 HB2 ALA 34 2HB ALA 34 -0.905 3.374 1.526 267 HB3 ALA 34 3HB ALA 34 -1.208 1.808 2.283 268 H HIS 35 H HIS 35 1.399 3.731 4.327 269 HA HIS 35 HA HIS 35 1.267 6.684 4.111 270 HB2 HIS 35 2HB HIS 35 1.716 5.513 6.437 271 HB3 HIS 35 1HB HIS 35 3.319 5.247 5.751 272 HD1 HIS 35 1HD HIS 35 4.734 7.491 5.158 273 HD2 HIS 35 2HD HIS 35 1.249 8.046 7.342 274 HE1 HIS 35 1HE HIS 35 4.894 9.782 6.111 275 HE2 HIS 35 2HE HIS 35 2.555 10.185 6.955 276 H VAL 36 H VAL 36 2.842 7.615 2.833 277 HA VAL 36 HA VAL 36 4.552 5.791 1.402 278 HB VAL 36 HB VAL 36 5.400 7.783 0.177 279 HG11 VAL 36 1HG1 VAL 36 3.577 6.611 -0.796 280 HG12 VAL 36 2HG1 VAL 36 3.240 8.337 -0.956 281 HG13 VAL 36 3HG1 VAL 36 2.435 7.387 0.293 282 HG21 VAL 36 3HG2 VAL 36 4.284 9.951 0.462 283 HG22 VAL 36 1HG2 VAL 36 5.141 9.464 1.926 284 HG23 VAL 36 2HG2 VAL 36 3.387 9.298 1.833 285 H SER 37 H SER 37 6.723 5.731 1.411 286 HA SER 37 HA SER 37 8.050 6.172 3.843 287 HB2 SER 37 2HB SER 37 10.063 5.471 2.656 288 HB3 SER 37 1HB SER 37 8.709 4.432 2.221 289 HG SER 37 HG SER 37 8.521 5.428 0.302 290 H GLY 38 H GLY 38 9.987 7.511 4.114 291 HA2 GLY 38 2HA GLY 38 9.609 10.203 3.710 292 HA3 GLY 38 1HA GLY 38 11.154 9.454 4.063 293 H LYS 39 H LYS 39 10.674 7.907 1.304 294 HA LYS 39 HA LYS 39 12.419 9.503 -0.250 295 HB2 LYS 39 2HB LYS 39 10.439 7.441 -1.237 296 HB3 LYS 39 1HB LYS 39 11.851 8.015 -2.093 297 HG2 LYS 39 2HG LYS 39 13.293 6.918 -0.449 298 HG3 LYS 39 1HG LYS 39 11.863 6.373 0.437 299 HD2 LYS 39 2HD LYS 39 11.095 5.198 -1.613 300 HD3 LYS 39 1HD LYS 39 12.601 5.653 -2.401 301 HE2 LYS 39 2HE LYS 39 13.857 4.374 -0.741 302 HE3 LYS 39 1HE LYS 39 12.352 3.946 0.077 303 HZ1 LYS 39 3HZ LYS 39 11.637 2.880 -2.039 304 HZ2 LYS 39 1HZ LYS 39 12.998 2.129 -1.349 305 HZ3 LYS 39 2HZ LYS 39 13.166 3.170 -2.668 306 H ILE 40 H ILE 40 8.960 8.954 -0.320 307 HA ILE 40 HA ILE 40 8.522 10.791 -2.498 308 HB ILE 40 HB ILE 40 6.719 8.978 -0.902 309 HG12 ILE 40 2HG1 ILE 40 7.484 8.978 -3.816 310 HG13 ILE 40 1HG1 ILE 40 8.236 7.971 -2.583 311 HG21 ILE 40 1HG2 ILE 40 5.408 10.969 -1.458 312 HG22 ILE 40 2HG2 ILE 40 4.860 9.560 -2.358 313 HG23 ILE 40 3HG2 ILE 40 5.846 10.787 -3.160 314 HD11 ILE 40 3HD1 ILE 40 6.621 6.715 -3.884 315 HD12 ILE 40 1HD1 ILE 40 5.360 7.874 -3.468 316 HD13 ILE 40 2HD1 ILE 40 6.076 6.866 -2.213 317 H ARG 41 H ARG 41 8.187 10.678 0.927 318 HA ARG 41 HA ARG 41 6.420 12.873 1.224 319 HB2 ARG 41 2HB ARG 41 6.995 11.101 2.970 320 HB3 ARG 41 1HB ARG 41 8.480 11.994 3.248 321 HG2 ARG 41 2HG ARG 41 7.166 13.961 3.919 322 HG3 ARG 41 1HG ARG 41 5.680 13.044 3.660 323 HD2 ARG 41 2HD ARG 41 6.565 11.363 5.326 324 HD3 ARG 41 1HD ARG 41 7.845 12.514 5.691 325 HE ARG 41 HE ARG 41 5.079 13.406 5.938 326 HH11 ARG 41 1HH1 ARG 41 8.105 12.553 7.569 327 HH12 ARG 41 2HH1 ARG 41 7.589 12.998 9.126 328 HH21 ARG 41 1HH2 ARG 41 4.301 13.983 8.161 329 HH22 ARG 41 2HH2 ARG 41 5.369 13.852 9.447 330 H MET 42 H MET 42 9.968 12.613 1.350 331 HA MET 42 HA MET 42 10.340 15.425 1.732 332 HB2 MET 42 2HB MET 42 12.296 13.225 1.091 333 HB3 MET 42 1HB MET 42 12.758 14.897 1.358 334 HG2 MET 42 2HG MET 42 11.906 14.794 3.626 335 HG3 MET 42 1HG MET 42 11.356 13.142 3.359 336 HE1 MET 42 3HE MET 42 13.242 14.081 5.791 337 HE2 MET 42 1HE MET 42 14.387 12.741 5.839 338 HE3 MET 42 2HE MET 42 12.670 12.427 5.580 339 H ASN 43 H ASN 43 10.622 13.234 -1.049 340 HA ASN 43 HA ASN 43 11.713 15.371 -2.646 341 HB2 ASN 43 2HB ASN 43 11.139 12.497 -3.305 342 HB3 ASN 43 1HB ASN 43 11.626 13.658 -4.535 343 HD21 ASN 43 1HD2 ASN 43 12.601 11.789 -1.818 344 HD22 ASN 43 2HD2 ASN 43 14.303 12.115 -1.954 345 H TYR 44 H TYR 44 10.938 15.747 -4.817 346 HA TYR 44 HA TYR 44 8.339 16.871 -4.674 347 HB2 TYR 44 2HB TYR 44 10.232 17.965 -5.814 348 HB3 TYR 44 1HB TYR 44 10.278 16.672 -6.996 349 HD1 TYR 44 2HD TYR 44 8.038 19.350 -5.675 350 HD2 TYR 44 1HD TYR 44 9.102 16.923 -9.007 351 HE1 TYR 44 2HE TYR 44 6.500 20.638 -7.101 352 HE2 TYR 44 1HE TYR 44 7.568 18.203 -10.438 353 HH TYR 44 HH TYR 44 5.581 19.608 -10.205 354 H ILE 45 H ILE 45 9.185 13.777 -5.293 355 HA ILE 45 HA ILE 45 7.379 13.205 -7.444 356 HB ILE 45 HB ILE 45 7.819 10.775 -6.898 357 HG12 ILE 45 2HG1 ILE 45 9.837 11.963 -4.962 358 HG13 ILE 45 1HG1 ILE 45 8.381 11.085 -4.509 359 HG21 ILE 45 1HG2 ILE 45 10.196 12.546 -7.447 360 HG22 ILE 45 2HG2 ILE 45 9.049 11.928 -8.636 361 HG23 ILE 45 3HG2 ILE 45 10.116 10.816 -7.780 362 HD11 ILE 45 3HD1 ILE 45 10.368 9.690 -4.315 363 HD12 ILE 45 1HD1 ILE 45 10.732 9.956 -6.020 364 HD13 ILE 45 2HD1 ILE 45 9.281 9.066 -5.555 365 H ARG 46 H ARG 46 5.651 14.292 -6.509 366 HA ARG 46 HA ARG 46 4.244 13.474 -4.179 367 HB2 ARG 46 2HB ARG 46 3.183 14.892 -6.623 368 HB3 ARG 46 1HB ARG 46 2.413 14.828 -5.056 369 HG2 ARG 46 2HG ARG 46 5.072 16.159 -5.564 370 HG3 ARG 46 1HG ARG 46 3.531 16.996 -5.660 371 HD2 ARG 46 2HD ARG 46 4.327 17.505 -3.522 372 HD3 ARG 46 1HD ARG 46 3.175 16.211 -3.241 373 HE ARG 46 HE ARG 46 5.577 14.940 -3.456 374 HH11 ARG 46 1HH1 ARG 46 4.348 17.561 -1.400 375 HH12 ARG 46 2HH1 ARG 46 5.435 17.252 -0.121 376 HH21 ARG 46 1HH2 ARG 46 7.061 14.537 -1.669 377 HH22 ARG 46 2HH2 ARG 46 7.012 15.472 -0.281 378 H ILE 47 H ILE 47 2.593 12.026 -3.944 379 HA ILE 47 HA ILE 47 2.015 10.192 -6.089 380 HB ILE 47 HB ILE 47 1.249 10.293 -3.161 381 HG12 ILE 47 2HG1 ILE 47 3.492 9.361 -3.900 382 HG13 ILE 47 1HG1 ILE 47 2.505 8.231 -2.964 383 HG21 ILE 47 1HG2 ILE 47 0.170 8.339 -5.181 384 HG22 ILE 47 2HG2 ILE 47 -0.758 9.552 -4.304 385 HG23 ILE 47 3HG2 ILE 47 -0.027 8.201 -3.432 386 HD11 ILE 47 3HD1 ILE 47 2.928 8.287 -5.928 387 HD12 ILE 47 1HD1 ILE 47 1.845 7.187 -5.073 388 HD13 ILE 47 2HD1 ILE 47 3.578 7.135 -4.764 389 H LEU 48 H LEU 48 0.203 10.160 -7.252 390 HA LEU 48 HA LEU 48 -1.883 12.108 -6.631 391 HB2 LEU 48 2HB LEU 48 -0.381 12.773 -8.538 392 HB3 LEU 48 1HB LEU 48 -0.821 11.287 -9.346 393 HG LEU 48 HG LEU 48 -3.203 12.106 -9.342 394 HD11 LEU 48 1HD1 LEU 48 -3.591 14.492 -9.048 395 HD12 LEU 48 2HD1 LEU 48 -1.910 14.716 -8.575 396 HD13 LEU 48 3HD1 LEU 48 -2.988 13.773 -7.553 397 HD21 LEU 48 3HD2 LEU 48 -1.150 13.755 -10.817 398 HD22 LEU 48 1HD2 LEU 48 -2.855 13.615 -11.244 399 HD23 LEU 48 2HD2 LEU 48 -1.806 12.201 -11.334 400 HA PRO 49 HA PRO 49 -4.520 8.414 -6.713 401 HB2 PRO 49 2HB PRO 49 -6.332 10.414 -8.023 402 HB3 PRO 49 1HB PRO 49 -6.705 9.246 -6.730 403 HG2 PRO 49 2HG PRO 49 -6.376 11.738 -6.098 404 HG3 PRO 49 1HG PRO 49 -5.625 10.474 -5.097 405 HD2 PRO 49 2HD PRO 49 -4.359 12.304 -7.090 406 HD3 PRO 49 1HD PRO 49 -3.714 11.700 -5.549 407 H GLY 50 H GLY 50 -4.728 6.883 -8.194 408 HA2 GLY 50 2HA GLY 50 -5.295 6.100 -10.390 409 HA3 GLY 50 1HA GLY 50 -4.667 7.608 -11.045 410 H ASP 51 H ASP 51 -2.439 7.123 -8.886 411 HA ASP 51 HA ASP 51 -0.656 5.784 -10.742 412 HB2 ASP 51 2HB ASP 51 0.013 7.797 -9.194 413 HB3 ASP 51 1HB ASP 51 0.005 6.526 -7.953 414 H LYS 52 H LYS 52 0.635 4.160 -10.016 415 HA LYS 52 HA LYS 52 -0.721 2.158 -8.318 416 HB2 LYS 52 2HB LYS 52 -0.744 1.430 -10.697 417 HB3 LYS 52 1HB LYS 52 1.001 1.666 -10.757 418 HG2 LYS 52 2HG LYS 52 1.403 -0.152 -9.302 419 HG3 LYS 52 1HG LYS 52 -0.317 -0.336 -8.958 420 HD2 LYS 52 2HD LYS 52 -0.774 -1.197 -11.079 421 HD3 LYS 52 1HD LYS 52 0.711 -0.535 -11.766 422 HE2 LYS 52 2HE LYS 52 0.681 -2.698 -9.669 423 HE3 LYS 52 1HE LYS 52 0.704 -3.029 -11.403 424 HZ1 LYS 52 3HZ LYS 52 2.748 -1.932 -11.636 425 HZ2 LYS 52 1HZ LYS 52 2.970 -2.992 -10.326 426 HZ3 LYS 52 2HZ LYS 52 2.757 -1.357 -10.044 427 H VAL 53 H VAL 53 0.427 1.408 -6.671 428 HA VAL 53 HA VAL 53 3.253 2.115 -6.624 429 HB VAL 53 HB VAL 53 3.065 2.706 -4.240 430 HG11 VAL 53 1HG1 VAL 53 2.142 4.944 -4.613 431 HG12 VAL 53 2HG1 VAL 53 1.295 4.357 -6.043 432 HG13 VAL 53 3HG1 VAL 53 3.053 4.414 -6.037 433 HG21 VAL 53 3HG2 VAL 53 1.011 1.541 -3.673 434 HG22 VAL 53 1HG2 VAL 53 0.096 2.563 -4.781 435 HG23 VAL 53 2HG2 VAL 53 0.815 3.263 -3.335 436 H THR 54 H THR 54 4.533 0.989 -5.125 437 HA THR 54 HA THR 54 3.673 -1.742 -4.742 438 HB THR 54 HB THR 54 6.387 -0.511 -4.262 439 HG1 THR 54 1HG THR 54 5.233 -1.382 -6.764 440 HG21 THR 54 3HG2 THR 54 7.174 -2.778 -4.822 441 HG22 THR 54 1HG2 THR 54 5.511 -3.285 -5.115 442 HG23 THR 54 2HG2 THR 54 6.018 -2.825 -3.491 443 H VAL 55 H VAL 55 2.868 -2.180 -2.775 444 HA VAL 55 HA VAL 55 3.572 -0.397 -0.572 445 HB VAL 55 HB VAL 55 1.177 -0.306 -1.269 446 HG11 VAL 55 1HG1 VAL 55 -0.374 -2.121 -0.738 447 HG12 VAL 55 2HG1 VAL 55 0.967 -3.152 -0.290 448 HG13 VAL 55 3HG1 VAL 55 0.799 -2.612 -1.959 449 HG21 VAL 55 3HG2 VAL 55 0.207 -0.513 0.980 450 HG22 VAL 55 1HG2 VAL 55 1.769 0.308 0.985 451 HG23 VAL 55 2HG2 VAL 55 1.659 -1.375 1.496 452 H GLU 56 H GLU 56 4.557 -1.189 1.089 453 HA GLU 56 HA GLU 56 4.920 -4.066 1.370 454 HB2 GLU 56 2HB GLU 56 6.219 -1.666 2.627 455 HB3 GLU 56 1HB GLU 56 6.483 -3.292 3.224 456 HG2 GLU 56 2HG GLU 56 7.443 -3.940 1.115 457 HG3 GLU 56 1HG GLU 56 7.115 -2.336 0.444 458 H MET 57 H MET 57 3.780 -5.134 2.779 459 HA MET 57 HA MET 57 2.744 -3.784 5.125 460 HB2 MET 57 2HB MET 57 0.556 -5.123 4.736 461 HB3 MET 57 1HB MET 57 0.803 -3.572 3.929 462 HG2 MET 57 2HG MET 57 1.311 -4.746 1.887 463 HG3 MET 57 1HG MET 57 1.223 -6.295 2.729 464 HE1 MET 57 3HE MET 57 -0.855 -2.985 2.161 465 HE2 MET 57 1HE MET 57 -1.235 -3.484 3.808 466 HE3 MET 57 2HE MET 57 -2.478 -3.552 2.570 467 H SER 58 H SER 58 2.250 -5.076 6.857 468 HA SER 58 HA SER 58 3.961 -7.284 7.155 469 HB2 SER 58 2HB SER 58 1.692 -6.357 8.924 470 HB3 SER 58 1HB SER 58 3.113 -7.282 9.413 471 HG SER 58 HG SER 58 3.182 -4.936 9.808 472 HA PRO 59 HA PRO 59 1.210 -10.532 5.654 473 HB2 PRO 59 2HB PRO 59 2.322 -12.261 7.784 474 HB3 PRO 59 1HB PRO 59 2.391 -12.476 6.025 475 HG2 PRO 59 2HG PRO 59 4.558 -11.817 7.386 476 HG3 PRO 59 1HG PRO 59 4.242 -11.154 5.773 477 HD2 PRO 59 2HD PRO 59 3.929 -9.843 8.433 478 HD3 PRO 59 1HD PRO 59 4.527 -9.180 6.896 479 H TYR 60 H TYR 60 1.199 -9.436 8.843 480 HA TYR 60 HA TYR 60 -1.194 -10.965 9.575 481 HB2 TYR 60 2HB TYR 60 0.762 -11.022 11.118 482 HB3 TYR 60 1HB TYR 60 0.671 -9.279 11.277 483 HD1 TYR 60 1HD TYR 60 -1.328 -12.376 11.874 484 HD2 TYR 60 2HD TYR 60 -0.553 -8.361 13.054 485 HE1 TYR 60 1HE TYR 60 -2.802 -12.667 13.823 486 HE2 TYR 60 2HE TYR 60 -2.028 -8.640 15.001 487 HH TYR 60 HH TYR 60 -3.907 -10.067 15.694 488 H ASP 61 H ASP 61 -0.617 -8.216 7.924 489 HA ASP 61 HA ASP 61 -2.699 -6.733 9.377 490 HB2 ASP 61 2HB ASP 61 -0.388 -5.611 9.315 491 HB3 ASP 61 1HB ASP 61 -0.632 -5.418 7.595 492 H LEU 62 H LEU 62 -1.325 -6.283 6.163 493 HA LEU 62 HA LEU 62 -2.179 -5.916 4.175 494 HB2 LEU 62 2HB LEU 62 -3.770 -8.293 4.994 495 HB3 LEU 62 1HB LEU 62 -4.186 -7.484 3.499 496 HG LEU 62 HG LEU 62 -1.811 -7.814 2.747 497 HD11 LEU 62 1HD1 LEU 62 -0.463 -9.524 3.845 498 HD12 LEU 62 2HD1 LEU 62 -1.648 -9.621 5.149 499 HD13 LEU 62 3HD1 LEU 62 -0.740 -8.132 4.893 500 HD21 LEU 62 3HD2 LEU 62 -2.113 -10.182 2.179 501 HD22 LEU 62 1HD2 LEU 62 -3.593 -9.251 1.953 502 HD23 LEU 62 2HD2 LEU 62 -3.414 -10.294 3.364 503 H THR 63 H THR 63 -3.545 -4.439 6.477 504 HA THR 63 HA THR 63 -5.406 -3.384 4.568 505 HB THR 63 HB THR 63 -6.749 -4.557 6.219 506 HG1 THR 63 1HG THR 63 -6.938 -1.757 6.139 507 HG21 THR 63 3HG2 THR 63 -5.619 -2.626 8.256 508 HG22 THR 63 1HG2 THR 63 -5.298 -4.358 8.181 509 HG23 THR 63 2HG2 THR 63 -6.922 -3.776 8.544 510 H ARG 64 H ARG 64 -2.775 -2.814 6.466 511 HA ARG 64 HA ARG 64 -2.771 0.024 5.759 512 HB2 ARG 64 2HB ARG 64 -1.791 -1.348 8.251 513 HB3 ARG 64 1HB ARG 64 -1.024 0.118 7.711 514 HG2 ARG 64 2HG ARG 64 -2.553 0.771 9.375 515 HG3 ARG 64 1HG ARG 64 -3.335 1.169 7.846 516 HD2 ARG 64 2HD ARG 64 -4.883 0.146 9.452 517 HD3 ARG 64 1HD ARG 64 -4.695 -0.812 7.982 518 HE ARG 64 HE ARG 64 -3.045 -2.165 9.351 519 HH11 ARG 64 1HH1 ARG 64 -5.835 -0.602 10.870 520 HH12 ARG 64 2HH1 ARG 64 -5.918 -1.724 12.157 521 HH21 ARG 64 1HH2 ARG 64 -3.117 -3.568 10.960 522 HH22 ARG 64 2HH2 ARG 64 -4.269 -3.567 12.238 523 H GLY 65 H GLY 65 -0.644 0.733 5.102 524 HA2 GLY 65 2HA GLY 65 1.431 -1.253 4.918 525 HA3 GLY 65 1HA GLY 65 0.687 -0.858 3.379 526 H ARG 66 H ARG 66 3.148 -0.366 3.275 527 HA ARG 66 HA ARG 66 3.434 2.542 3.653 528 HB2 ARG 66 2HB ARG 66 4.765 1.105 5.263 529 HB3 ARG 66 1HB ARG 66 5.648 0.524 3.856 530 HG2 ARG 66 2HG ARG 66 5.891 3.151 3.461 531 HG3 ARG 66 1HG ARG 66 5.772 3.141 5.220 532 HD2 ARG 66 2HD ARG 66 7.712 1.738 3.462 533 HD3 ARG 66 1HD ARG 66 8.020 3.004 4.654 534 HE ARG 66 HE ARG 66 7.366 1.336 6.386 535 HH11 ARG 66 1HH1 ARG 66 8.644 0.140 3.256 536 HH12 ARG 66 2HH1 ARG 66 9.052 -1.360 3.815 537 HH21 ARG 66 1HH2 ARG 66 8.074 -0.861 7.191 538 HH22 ARG 66 2HH2 ARG 66 8.783 -1.914 6.044 539 H ILE 67 H ILE 67 4.163 3.537 1.807 540 HA ILE 67 HA ILE 67 4.733 1.824 -0.488 541 HB ILE 67 HB ILE 67 3.978 4.724 -0.304 542 HG12 ILE 67 2HG1 ILE 67 2.213 3.930 -1.968 543 HG13 ILE 67 1HG1 ILE 67 2.781 2.308 -1.545 544 HG21 ILE 67 1HG2 ILE 67 4.199 4.896 -2.762 545 HG22 ILE 67 2HG2 ILE 67 4.889 3.262 -2.777 546 HG23 ILE 67 3HG2 ILE 67 5.738 4.563 -1.951 547 HD11 ILE 67 3HD1 ILE 67 1.583 4.314 0.349 548 HD12 ILE 67 1HD1 ILE 67 2.158 2.700 0.764 549 HD13 ILE 67 2HD1 ILE 67 0.774 2.888 -0.312 550 H THR 68 H THR 68 6.662 1.476 -1.104 551 HA THR 68 HA THR 68 8.717 3.453 -0.417 552 HB THR 68 HB THR 68 10.307 1.481 -0.611 553 HG1 THR 68 1HG THR 68 8.920 -0.502 0.034 554 HG21 THR 68 3HG2 THR 68 9.790 0.774 1.703 555 HG22 THR 68 1HG2 THR 68 8.215 1.550 1.541 556 HG23 THR 68 2HG2 THR 68 9.688 2.530 1.514 557 H TYR 69 H TYR 69 7.074 2.095 -3.028 558 HA TYR 69 HA TYR 69 8.918 3.273 -4.902 559 HB2 TYR 69 2HB TYR 69 9.720 0.895 -4.462 560 HB3 TYR 69 1HB TYR 69 8.149 0.377 -5.073 561 HD1 TYR 69 1HD TYR 69 10.934 2.628 -6.183 562 HD2 TYR 69 2HD TYR 69 8.121 -0.375 -7.258 563 HE1 TYR 69 1HE TYR 69 11.842 2.606 -8.467 564 HE2 TYR 69 2HE TYR 69 9.023 -0.402 -9.547 565 HH TYR 69 HH TYR 69 11.947 1.074 -10.399 566 H ARG 70 H ARG 70 7.851 3.425 -7.037 567 HA ARG 70 HA ARG 70 4.954 2.903 -6.910 568 HB2 ARG 70 2HB ARG 70 6.306 5.157 -8.401 569 HB3 ARG 70 1HB ARG 70 4.584 4.884 -8.199 570 HG2 ARG 70 2HG ARG 70 4.661 5.525 -5.918 571 HG3 ARG 70 1HG ARG 70 6.424 5.523 -5.930 572 HD2 ARG 70 2HD ARG 70 5.490 7.794 -6.068 573 HD3 ARG 70 1HD ARG 70 6.469 7.374 -7.465 574 HE ARG 70 HE ARG 70 3.895 6.763 -8.205 575 HH11 ARG 70 1HH1 ARG 70 5.323 9.686 -6.832 576 HH12 ARG 70 2HH1 ARG 70 4.397 10.762 -7.763 577 HH21 ARG 70 1HH2 ARG 70 2.733 8.223 -9.629 578 HH22 ARG 70 2HH2 ARG 70 2.916 9.912 -9.455 579 H TYR 71 H TYR 71 4.929 1.077 -8.260 580 HA TYR 71 HA TYR 71 6.516 1.240 -10.708 581 HB2 TYR 71 2HB TYR 71 6.922 -0.650 -9.179 582 HB3 TYR 71 1HB TYR 71 5.228 -1.096 -9.410 583 HD1 TYR 71 1HD TYR 71 8.279 -0.438 -11.499 584 HD2 TYR 71 2HD TYR 71 4.720 -2.715 -11.000 585 HE1 TYR 71 1HE TYR 71 8.844 -1.752 -13.494 586 HE2 TYR 71 2HE TYR 71 5.276 -4.031 -12.995 587 HH TYR 71 HH TYR 71 6.599 -3.684 -15.030 588 H LYS 72 H LYS 72 5.556 1.060 -12.677 589 HA LYS 72 HA LYS 72 2.641 1.128 -12.728 590 HB2 LYS 72 2HB LYS 72 4.810 1.971 -14.629 591 HB3 LYS 72 1HB LYS 72 3.280 1.465 -15.301 592 HG2 LYS 72 2HG LYS 72 3.469 3.916 -15.134 593 HG3 LYS 72 1HG LYS 72 2.133 3.296 -14.188 594 HD2 LYS 72 2HD LYS 72 4.799 3.902 -12.917 595 HD3 LYS 72 1HD LYS 72 3.614 5.176 -13.198 596 HE2 LYS 72 2HE LYS 72 1.979 3.953 -11.839 597 HE3 LYS 72 1HE LYS 72 3.150 2.660 -11.595 598 HZ1 LYS 72 3HZ LYS 72 4.595 4.366 -10.507 599 HZ2 LYS 72 1HZ LYS 72 3.139 4.018 -9.704 600 HZ3 LYS 72 2HZ LYS 72 3.229 5.416 -10.573 Start of MODEL 4 1 H1 MET 1 1HT MET 1 7.714 -13.233 3.030 2 H2 MET 1 2HT MET 1 7.255 -14.770 3.294 3 H3 MET 1 3HT MET 1 6.449 -13.851 2.096 4 HA MET 1 HA MET 1 7.983 -15.376 1.014 5 HB2 MET 1 2HB MET 1 9.325 -12.667 1.235 6 HB3 MET 1 1HB MET 1 9.508 -13.814 -0.082 7 HG2 MET 1 2HG MET 1 7.046 -12.236 0.628 8 HG3 MET 1 1HG MET 1 8.078 -12.021 -0.785 9 HE1 MET 1 2HE MET 1 4.929 -12.275 -0.985 10 HE2 MET 1 3HE MET 1 4.773 -13.374 -2.355 11 HE3 MET 1 1HE MET 1 5.985 -12.093 -2.386 12 H ALA 2 H ALA 2 10.716 -15.311 0.751 13 HA ALA 2 HA ALA 2 11.574 -16.141 3.411 14 HB1 ALA 2 1HB ALA 2 12.812 -16.692 0.705 15 HB2 ALA 2 2HB ALA 2 11.793 -17.808 1.614 16 HB3 ALA 2 3HB ALA 2 13.373 -17.342 2.246 17 H LYS 3 H LYS 3 12.154 -14.283 4.391 18 HA LYS 3 HA LYS 3 14.630 -13.110 4.086 19 HB2 LYS 3 2HB LYS 3 13.861 -10.784 3.355 20 HB3 LYS 3 1HB LYS 3 13.911 -11.976 2.069 21 HG2 LYS 3 2HG LYS 3 11.469 -12.228 2.189 22 HG3 LYS 3 1HG LYS 3 11.409 -11.066 3.516 23 HD2 LYS 3 2HD LYS 3 12.078 -9.281 2.119 24 HD3 LYS 3 1HD LYS 3 12.619 -10.374 0.852 25 HE2 LYS 3 2HE LYS 3 10.551 -9.277 0.203 26 HE3 LYS 3 1HE LYS 3 10.291 -10.999 0.394 27 HZ1 LYS 3 3HZ LYS 3 9.505 -8.888 2.343 28 HZ2 LYS 3 1HZ LYS 3 9.130 -10.540 2.524 29 HZ3 LYS 3 2HZ LYS 3 8.513 -9.578 1.256 30 H GLN 4 H GLN 4 14.411 -10.802 5.393 31 HA GLN 4 HA GLN 4 12.904 -11.239 7.789 32 HB2 GLN 4 2HB GLN 4 13.908 -8.605 6.616 33 HB3 GLN 4 1HB GLN 4 13.408 -8.856 8.280 34 HG2 GLN 4 2HG GLN 4 15.299 -10.395 8.593 35 HG3 GLN 4 1HG GLN 4 15.808 -10.074 6.936 36 HE21 GLN 4 1HE2 GLN 4 16.689 -8.040 6.434 37 HE22 GLN 4 2HE2 GLN 4 17.235 -6.982 7.692 38 H ASP 5 H ASP 5 10.705 -11.314 7.647 39 HA ASP 5 HA ASP 5 9.810 -10.313 5.117 40 HB2 ASP 5 2HB ASP 5 9.554 -12.754 5.900 41 HB3 ASP 5 1HB ASP 5 8.110 -12.071 6.685 42 H VAL 6 H VAL 6 8.300 -9.328 4.679 43 HA VAL 6 HA VAL 6 6.308 -8.105 6.302 44 HB VAL 6 HB VAL 6 8.340 -6.618 4.580 45 HG11 VAL 6 1HG1 VAL 6 7.129 -4.539 5.240 46 HG12 VAL 6 2HG1 VAL 6 5.946 -5.537 6.089 47 HG13 VAL 6 3HG1 VAL 6 6.108 -5.661 4.337 48 HG21 VAL 6 3HG2 VAL 6 7.902 -6.329 7.553 49 HG22 VAL 6 1HG2 VAL 6 8.965 -5.307 6.584 50 HG23 VAL 6 2HG2 VAL 6 9.314 -7.028 6.762 51 H ILE 7 H ILE 7 4.609 -7.731 4.623 52 HA ILE 7 HA ILE 7 5.368 -9.317 2.275 53 HB ILE 7 HB ILE 7 2.547 -8.889 3.340 54 HG12 ILE 7 2HG1 ILE 7 4.379 -11.296 3.593 55 HG13 ILE 7 1HG1 ILE 7 3.935 -10.209 4.900 56 HG21 ILE 7 1HG2 ILE 7 3.632 -10.797 1.247 57 HG22 ILE 7 2HG2 ILE 7 2.674 -9.355 0.915 58 HG23 ILE 7 3HG2 ILE 7 1.955 -10.709 1.791 59 HD11 ILE 7 3HD1 ILE 7 2.055 -12.001 3.375 60 HD12 ILE 7 1HD1 ILE 7 1.604 -10.923 4.693 61 HD13 ILE 7 2HD1 ILE 7 2.677 -12.288 5.000 62 H GLU 8 H GLU 8 5.377 -8.432 0.381 63 HA GLU 8 HA GLU 8 4.407 -5.717 0.189 64 HB2 GLU 8 2HB GLU 8 5.913 -5.635 -1.873 65 HB3 GLU 8 1HB GLU 8 6.691 -5.698 -0.307 66 HG2 GLU 8 2HG GLU 8 6.296 -8.155 -2.014 67 HG3 GLU 8 1HG GLU 8 7.700 -7.106 -2.178 68 H LEU 9 H LEU 9 2.795 -5.205 -0.939 69 HA LEU 9 HA LEU 9 1.725 -6.981 -3.038 70 HB2 LEU 9 2HB LEU 9 0.132 -5.399 -0.989 71 HB3 LEU 9 1HB LEU 9 -0.561 -6.173 -2.387 72 HG LEU 9 HG LEU 9 -1.113 -7.490 -0.554 73 HD11 LEU 9 1HD1 LEU 9 -0.477 -8.815 -2.432 74 HD12 LEU 9 2HD1 LEU 9 -0.047 -9.642 -0.935 75 HD13 LEU 9 3HD1 LEU 9 1.202 -8.844 -1.888 76 HD21 LEU 9 3HD2 LEU 9 0.528 -8.427 1.050 77 HD22 LEU 9 1HD2 LEU 9 0.368 -6.672 1.117 78 HD23 LEU 9 2HD2 LEU 9 1.762 -7.397 0.317 79 H GLU 10 H GLU 10 0.421 -5.732 -4.630 80 HA GLU 10 HA GLU 10 1.255 -2.935 -4.626 81 HB2 GLU 10 2HB GLU 10 0.833 -4.710 -7.012 82 HB3 GLU 10 1HB GLU 10 1.044 -2.970 -7.093 83 HG2 GLU 10 2HG GLU 10 3.254 -3.384 -5.870 84 HG3 GLU 10 1HG GLU 10 3.027 -5.070 -6.354 85 H GLY 11 H GLY 11 -0.167 -1.413 -5.273 86 HA2 GLY 11 2HA GLY 11 -2.879 -2.237 -5.877 87 HA3 GLY 11 1HA GLY 11 -2.648 -1.345 -4.376 88 H THR 12 H THR 12 -4.229 -0.119 -5.929 89 HA THR 12 HA THR 12 -2.623 1.887 -7.349 90 HB THR 12 HB THR 12 -5.525 1.126 -7.785 91 HG1 THR 12 1HG THR 12 -3.278 -0.085 -8.490 92 HG21 THR 12 3HG2 THR 12 -4.953 3.433 -8.471 93 HG22 THR 12 1HG2 THR 12 -5.281 2.418 -9.877 94 HG23 THR 12 2HG2 THR 12 -3.617 2.811 -9.439 95 H VAL 13 H VAL 13 -2.843 3.932 -6.585 96 HA VAL 13 HA VAL 13 -4.533 4.266 -4.241 97 HB VAL 13 HB VAL 13 -2.403 5.111 -3.721 98 HG11 VAL 13 1HG1 VAL 13 -2.324 6.430 -6.384 99 HG12 VAL 13 2HG1 VAL 13 -1.463 4.976 -5.793 100 HG13 VAL 13 3HG1 VAL 13 -1.114 6.548 -5.081 101 HG21 VAL 13 3HG2 VAL 13 -2.601 7.540 -3.476 102 HG22 VAL 13 1HG2 VAL 13 -4.139 6.745 -3.107 103 HG23 VAL 13 2HG2 VAL 13 -3.920 7.544 -4.654 104 H LEU 14 H LEU 14 -6.260 5.370 -4.065 105 HA LEU 14 HA LEU 14 -7.211 6.666 -6.511 106 HB2 LEU 14 2HB LEU 14 -8.744 5.341 -4.294 107 HB3 LEU 14 1HB LEU 14 -9.518 6.446 -5.403 108 HG LEU 14 HG LEU 14 -8.843 4.913 -7.277 109 HD11 LEU 14 1HD1 LEU 14 -8.264 2.608 -6.757 110 HD12 LEU 14 2HD1 LEU 14 -8.129 3.029 -5.049 111 HD13 LEU 14 3HD1 LEU 14 -7.017 3.733 -6.222 112 HD21 LEU 14 3HD2 LEU 14 -11.091 4.906 -6.386 113 HD22 LEU 14 1HD2 LEU 14 -10.612 3.766 -5.129 114 HD23 LEU 14 2HD2 LEU 14 -10.598 3.269 -6.819 115 H ASP 15 H ASP 15 -6.702 7.216 -3.084 116 HA ASP 15 HA ASP 15 -7.788 9.935 -3.461 117 HB2 ASP 15 2HB ASP 15 -8.071 8.255 -0.982 118 HB3 ASP 15 1HB ASP 15 -8.671 9.883 -1.193 119 H THR 16 H THR 16 -6.932 11.513 -2.089 120 HA THR 16 HA THR 16 -4.184 11.048 -1.217 121 HB THR 16 HB THR 16 -4.243 13.598 -1.107 122 HG1 THR 16 1HG THR 16 -6.605 13.586 -1.064 123 HG21 THR 16 3HG2 THR 16 -3.264 12.397 -3.033 124 HG22 THR 16 1HG2 THR 16 -4.058 13.892 -3.536 125 HG23 THR 16 2HG2 THR 16 -4.858 12.341 -3.784 126 H LEU 17 H LEU 17 -3.864 10.849 1.001 127 HA LEU 17 HA LEU 17 -6.090 11.725 2.657 128 HB2 LEU 17 2HB LEU 17 -4.091 9.538 3.150 129 HB3 LEU 17 1HB LEU 17 -5.324 10.017 4.301 130 HG LEU 17 HG LEU 17 -5.661 8.519 1.680 131 HD11 LEU 17 1HD1 LEU 17 -5.018 7.224 3.563 132 HD12 LEU 17 2HD1 LEU 17 -6.676 6.873 3.075 133 HD13 LEU 17 3HD1 LEU 17 -6.368 7.868 4.500 134 HD21 LEU 17 3HD2 LEU 17 -7.446 10.226 1.800 135 HD22 LEU 17 1HD2 LEU 17 -7.836 9.686 3.435 136 HD23 LEU 17 2HD2 LEU 17 -8.077 8.602 2.067 137 HA PRO 18 HA PRO 18 -3.523 14.609 4.840 138 HB2 PRO 18 2HB PRO 18 -4.478 14.178 7.401 139 HB3 PRO 18 1HB PRO 18 -5.295 15.198 6.199 140 HG2 PRO 18 2HG PRO 18 -5.863 12.383 6.947 141 HG3 PRO 18 1HG PRO 18 -6.992 13.709 6.593 142 HD2 PRO 18 2HD PRO 18 -6.504 11.832 4.782 143 HD3 PRO 18 1HD PRO 18 -6.705 13.531 4.305 144 H ASN 19 H ASN 19 -1.737 14.697 6.199 145 HA ASN 19 HA ASN 19 0.053 14.070 7.454 146 HB2 ASN 19 2HB ASN 19 -1.655 12.986 8.991 147 HB3 ASN 19 1HB ASN 19 -1.466 11.500 8.078 148 HD21 ASN 19 1HD2 ASN 19 -0.008 13.637 10.423 149 HD22 ASN 19 2HD2 ASN 19 1.215 12.531 10.939 150 H ALA 20 H ALA 20 -0.416 13.276 4.657 151 HA ALA 20 HA ALA 20 0.876 12.407 2.918 152 HB1 ALA 20 1HB ALA 20 2.856 11.558 5.044 153 HB2 ALA 20 2HB ALA 20 2.802 13.155 4.317 154 HB3 ALA 20 3HB ALA 20 3.171 11.744 3.311 155 H MET 21 H MET 21 -1.128 10.924 4.399 156 HA MET 21 HA MET 21 -0.313 8.147 3.965 157 HB2 MET 21 2HB MET 21 -1.819 9.090 5.999 158 HB3 MET 21 1HB MET 21 -3.027 9.071 4.713 159 HG2 MET 21 2HG MET 21 -3.346 7.131 5.924 160 HG3 MET 21 1HG MET 21 -2.603 6.660 4.392 161 HE1 MET 21 3HE MET 21 -1.125 8.131 7.770 162 HE2 MET 21 1HE MET 21 -0.593 6.641 8.550 163 HE3 MET 21 2HE MET 21 -2.309 6.915 8.246 164 H PHE 22 H PHE 22 -1.811 6.990 2.567 165 HA PHE 22 HA PHE 22 -3.432 8.585 0.750 166 HB2 PHE 22 2HB PHE 22 -1.124 6.847 -0.164 167 HB3 PHE 22 1HB PHE 22 -2.445 7.301 -1.229 168 HD1 PHE 22 1HD PHE 22 0.505 8.482 0.581 169 HD2 PHE 22 2HD PHE 22 -2.639 9.562 -2.061 170 HE1 PHE 22 1HE PHE 22 1.683 10.576 0.040 171 HE2 PHE 22 2HE PHE 22 -1.462 11.656 -2.606 172 HZ PHE 22 HZ PHE 22 0.695 12.163 -1.552 173 H LYS 23 H LYS 23 -5.053 7.391 -0.281 174 HA LYS 23 HA LYS 23 -5.496 4.844 1.014 175 HB2 LYS 23 2HB LYS 23 -7.537 6.163 0.938 176 HB3 LYS 23 1HB LYS 23 -7.318 6.450 -0.796 177 HG2 LYS 23 2HG LYS 23 -7.519 4.047 -1.223 178 HG3 LYS 23 1HG LYS 23 -7.808 3.774 0.483 179 HD2 LYS 23 2HD LYS 23 -9.951 4.674 0.370 180 HD3 LYS 23 1HD LYS 23 -9.594 5.571 -1.121 181 HE2 LYS 23 2HE LYS 23 -9.482 3.590 -2.405 182 HE3 LYS 23 1HE LYS 23 -9.502 2.574 -0.981 183 HZ1 LYS 23 3HZ LYS 23 -11.773 4.248 -1.880 184 HZ2 LYS 23 1HZ LYS 23 -11.760 3.063 -0.632 185 HZ3 LYS 23 2HZ LYS 23 -11.503 2.588 -2.238 186 H VAL 24 H VAL 24 -4.691 3.234 0.162 187 HA VAL 24 HA VAL 24 -4.450 3.138 -2.773 188 HB VAL 24 HB VAL 24 -2.806 1.541 -0.761 189 HG11 VAL 24 1HG1 VAL 24 -2.497 1.771 -3.733 190 HG12 VAL 24 2HG1 VAL 24 -3.078 0.364 -2.845 191 HG13 VAL 24 3HG1 VAL 24 -1.412 0.909 -2.642 192 HG21 VAL 24 3HG2 VAL 24 -0.917 2.912 -1.298 193 HG22 VAL 24 1HG2 VAL 24 -2.222 3.934 -0.705 194 HG23 VAL 24 2HG2 VAL 24 -1.861 3.853 -2.439 195 H GLU 25 H GLU 25 -5.449 1.477 -3.803 196 HA GLU 25 HA GLU 25 -6.974 -0.273 -2.044 197 HB2 GLU 25 2HB GLU 25 -8.192 1.563 -3.324 198 HB3 GLU 25 1HB GLU 25 -7.768 0.700 -4.788 199 HG2 GLU 25 2HG GLU 25 -9.135 -1.149 -4.178 200 HG3 GLU 25 1HG GLU 25 -9.383 -0.502 -2.553 201 H LEU 26 H LEU 26 -6.383 -2.245 -2.161 202 HA LEU 26 HA LEU 26 -4.525 -3.256 -4.074 203 HB2 LEU 26 2HB LEU 26 -6.170 -4.653 -1.977 204 HB3 LEU 26 1HB LEU 26 -4.950 -5.441 -2.948 205 HG LEU 26 HG LEU 26 -4.443 -3.209 -0.980 206 HD11 LEU 26 1HD1 LEU 26 -3.885 -6.170 -0.818 207 HD12 LEU 26 2HD1 LEU 26 -5.093 -5.286 0.117 208 HD13 LEU 26 3HD1 LEU 26 -3.377 -4.963 0.363 209 HD21 LEU 26 3HD2 LEU 26 -2.072 -3.791 -1.337 210 HD22 LEU 26 1HD2 LEU 26 -2.832 -3.187 -2.809 211 HD23 LEU 26 2HD2 LEU 26 -2.556 -4.915 -2.605 212 H GLU 27 H GLU 27 -4.909 -5.339 -5.175 213 HA GLU 27 HA GLU 27 -6.981 -5.112 -7.085 214 HB2 GLU 27 2HB GLU 27 -6.008 -7.529 -7.641 215 HB3 GLU 27 1HB GLU 27 -5.143 -6.062 -8.061 216 HG2 GLU 27 2HG GLU 27 -3.691 -7.835 -7.100 217 HG3 GLU 27 1HG GLU 27 -3.641 -6.332 -6.194 218 H ASN 28 H ASN 28 -6.609 -6.750 -4.162 219 HA ASN 28 HA ASN 28 -8.689 -8.665 -4.332 220 HB2 ASN 28 2HB ASN 28 -6.873 -8.871 -2.739 221 HB3 ASN 28 1HB ASN 28 -7.287 -7.337 -2.002 222 HD21 ASN 28 1HD2 ASN 28 -8.147 -10.667 -2.342 223 HD22 ASN 28 2HD2 ASN 28 -9.201 -10.748 -0.965 224 H GLY 29 H GLY 29 -8.873 -5.306 -4.266 225 HA2 GLY 29 2HA GLY 29 -10.773 -3.971 -4.212 226 HA3 GLY 29 1HA GLY 29 -11.709 -5.366 -3.673 227 H HIS 30 H HIS 30 -8.939 -5.016 -1.970 228 HA HIS 30 HA HIS 30 -10.360 -4.041 0.400 229 HB2 HIS 30 2HB HIS 30 -8.569 -6.064 0.181 230 HB3 HIS 30 1HB HIS 30 -7.542 -4.623 0.298 231 HD1 HIS 30 1HD HIS 30 -7.906 -3.072 2.594 232 HD2 HIS 30 2HD HIS 30 -9.229 -7.033 2.676 233 HE1 HIS 30 1HE HIS 30 -8.080 -3.661 4.975 234 HE2 HIS 30 2HE HIS 30 -8.532 -6.113 4.991 235 H GLU 31 H GLU 31 -9.985 -2.006 1.024 236 HA GLU 31 HA GLU 31 -7.875 -0.576 -0.311 237 HB2 GLU 31 2HB GLU 31 -8.886 1.481 0.599 238 HB3 GLU 31 1HB GLU 31 -9.989 0.554 -0.412 239 HG2 GLU 31 2HG GLU 31 -11.193 -0.197 1.516 240 HG3 GLU 31 1HG GLU 31 -10.012 0.561 2.591 241 H ILE 32 H ILE 32 -6.331 0.465 0.780 242 HA ILE 32 HA ILE 32 -5.932 -0.411 3.526 243 HB ILE 32 HB ILE 32 -3.556 -0.963 2.887 244 HG12 ILE 32 2HG1 ILE 32 -4.619 -0.921 0.074 245 HG13 ILE 32 1HG1 ILE 32 -3.658 0.400 0.754 246 HG21 ILE 32 1HG2 ILE 32 -5.731 -2.524 1.486 247 HG22 ILE 32 2HG2 ILE 32 -5.183 -2.769 3.139 248 HG23 ILE 32 3HG2 ILE 32 -4.110 -3.134 1.782 249 HD11 ILE 32 3HD1 ILE 32 -2.781 -2.452 0.381 250 HD12 ILE 32 1HD1 ILE 32 -1.803 -1.158 1.070 251 HD13 ILE 32 2HD1 ILE 32 -2.312 -1.076 -0.620 252 H LEU 33 H LEU 33 -4.336 0.975 4.644 253 HA LEU 33 HA LEU 33 -4.269 3.631 3.385 254 HB2 LEU 33 2HB LEU 33 -4.062 2.836 6.290 255 HB3 LEU 33 1HB LEU 33 -4.161 4.468 5.655 256 HG LEU 33 HG LEU 33 -6.333 2.411 5.418 257 HD11 LEU 33 1HD1 LEU 33 -6.019 3.080 7.754 258 HD12 LEU 33 2HD1 LEU 33 -7.520 3.753 7.119 259 HD13 LEU 33 3HD1 LEU 33 -6.097 4.780 7.291 260 HD21 LEU 33 3HD2 LEU 33 -6.326 5.360 4.807 261 HD22 LEU 33 1HD2 LEU 33 -7.745 4.315 4.767 262 HD23 LEU 33 2HD2 LEU 33 -6.418 4.041 3.640 263 H ALA 34 H ALA 34 -2.342 4.269 2.823 264 HA ALA 34 HA ALA 34 -0.101 2.875 4.047 265 HB1 ALA 34 1HB ALA 34 -0.441 3.411 1.106 266 HB2 ALA 34 2HB ALA 34 -0.614 1.846 1.898 267 HB3 ALA 34 3HB ALA 34 0.954 2.653 1.880 268 H HIS 35 H HIS 35 1.715 4.040 4.252 269 HA HIS 35 HA HIS 35 1.328 6.958 3.976 270 HB2 HIS 35 2HB HIS 35 1.701 5.747 6.259 271 HB3 HIS 35 1HB HIS 35 3.369 5.618 5.728 272 HD1 HIS 35 1HD HIS 35 4.561 8.126 5.223 273 HD2 HIS 35 2HD HIS 35 1.074 8.027 7.501 274 HE1 HIS 35 1HE HIS 35 4.514 10.263 6.497 275 HE2 HIS 35 2HE HIS 35 2.189 10.302 7.467 276 H VAL 36 H VAL 36 2.877 8.096 2.871 277 HA VAL 36 HA VAL 36 4.811 6.544 1.415 278 HB VAL 36 HB VAL 36 5.463 8.652 0.295 279 HG11 VAL 36 1HG1 VAL 36 3.364 8.995 -0.918 280 HG12 VAL 36 2HG1 VAL 36 2.521 8.072 0.330 281 HG13 VAL 36 3HG1 VAL 36 3.743 7.291 -0.671 282 HG21 VAL 36 3HG2 VAL 36 4.145 10.697 0.650 283 HG22 VAL 36 1HG2 VAL 36 5.021 10.233 2.110 284 HG23 VAL 36 2HG2 VAL 36 3.292 9.912 1.979 285 H SER 37 H SER 37 7.034 6.795 1.441 286 HA SER 37 HA SER 37 8.172 7.102 4.000 287 HB2 SER 37 2HB SER 37 10.303 6.731 2.898 288 HB3 SER 37 1HB SER 37 9.121 5.681 2.120 289 HG SER 37 HG SER 37 9.597 6.629 0.346 290 H GLY 38 H GLY 38 9.852 8.708 4.571 291 HA2 GLY 38 2HA GLY 38 9.039 11.358 4.225 292 HA3 GLY 38 1HA GLY 38 10.599 10.845 4.850 293 H LYS 39 H LYS 39 10.900 9.349 2.115 294 HA LYS 39 HA LYS 39 12.410 11.488 0.931 295 HB2 LYS 39 2HB LYS 39 13.268 9.159 1.037 296 HB3 LYS 39 1HB LYS 39 11.955 8.642 -0.005 297 HG2 LYS 39 2HG LYS 39 12.839 10.031 -1.817 298 HG3 LYS 39 1HG LYS 39 14.144 10.571 -0.762 299 HD2 LYS 39 2HD LYS 39 14.934 8.255 -0.561 300 HD3 LYS 39 1HD LYS 39 13.633 7.725 -1.627 301 HE2 LYS 39 2HE LYS 39 15.823 9.665 -2.377 302 HE3 LYS 39 1HE LYS 39 15.793 7.957 -2.805 303 HZ1 LYS 39 3HZ LYS 39 13.791 8.335 -4.079 304 HZ2 LYS 39 1HZ LYS 39 15.013 9.372 -4.614 305 HZ3 LYS 39 2HZ LYS 39 13.763 9.966 -3.639 306 H ILE 40 H ILE 40 9.400 9.874 0.471 307 HA ILE 40 HA ILE 40 8.951 11.063 -2.128 308 HB ILE 40 HB ILE 40 7.268 9.239 -0.389 309 HG12 ILE 40 2HG1 ILE 40 8.712 8.714 -2.985 310 HG13 ILE 40 1HG1 ILE 40 9.308 8.255 -1.392 311 HG21 ILE 40 1HG2 ILE 40 5.781 8.970 -2.310 312 HG22 ILE 40 2HG2 ILE 40 6.702 10.175 -3.208 313 HG23 ILE 40 3HG2 ILE 40 5.797 10.649 -1.766 314 HD11 ILE 40 3HD1 ILE 40 7.377 6.772 -1.124 315 HD12 ILE 40 1HD1 ILE 40 8.331 6.362 -2.549 316 HD13 ILE 40 2HD1 ILE 40 6.809 7.236 -2.730 317 H ARG 41 H ARG 41 8.103 11.502 1.199 318 HA ARG 41 HA ARG 41 5.983 13.350 0.841 319 HB2 ARG 41 2HB ARG 41 6.282 12.280 2.967 320 HB3 ARG 41 1HB ARG 41 7.907 12.913 3.120 321 HG2 ARG 41 2HG ARG 41 6.405 14.100 4.612 322 HG3 ARG 41 1HG ARG 41 6.996 15.188 3.366 323 HD2 ARG 41 2HD ARG 41 4.326 13.796 3.242 324 HD3 ARG 41 1HD ARG 41 4.538 15.404 3.938 325 HE ARG 41 HE ARG 41 5.617 15.558 1.448 326 HH11 ARG 41 1HH1 ARG 41 2.430 14.699 2.687 327 HH12 ARG 41 2HH1 ARG 41 1.568 15.175 1.297 328 HH21 ARG 41 1HH2 ARG 41 4.503 16.211 -0.451 329 HH22 ARG 41 2HH2 ARG 41 2.796 16.085 -0.575 330 H MET 42 H MET 42 9.485 13.809 1.431 331 HA MET 42 HA MET 42 9.251 16.661 1.316 332 HB2 MET 42 2HB MET 42 11.705 14.915 1.395 333 HB3 MET 42 1HB MET 42 11.731 16.668 1.481 334 HG2 MET 42 2HG MET 42 10.459 14.797 3.468 335 HG3 MET 42 1HG MET 42 11.957 15.698 3.685 336 HE1 MET 42 3HE MET 42 11.101 16.669 5.977 337 HE2 MET 42 1HE MET 42 9.596 15.766 5.810 338 HE3 MET 42 2HE MET 42 9.554 17.489 6.191 339 H ASN 43 H ASN 43 10.506 14.206 -0.880 340 HA ASN 43 HA ASN 43 11.411 16.236 -2.736 341 HB2 ASN 43 2HB ASN 43 12.683 14.076 -2.305 342 HB3 ASN 43 1HB ASN 43 11.365 13.230 -3.107 343 HD21 ASN 43 1HD2 ASN 43 14.084 15.370 -3.544 344 HD22 ASN 43 2HD2 ASN 43 14.183 15.178 -5.256 345 H TYR 44 H TYR 44 10.762 15.463 -5.217 346 HA TYR 44 HA TYR 44 7.914 15.964 -5.152 347 HB2 TYR 44 2HB TYR 44 10.034 16.549 -7.161 348 HB3 TYR 44 1HB TYR 44 8.319 16.670 -7.579 349 HD1 TYR 44 1HD TYR 44 6.893 18.317 -6.416 350 HD2 TYR 44 2HD TYR 44 11.098 18.206 -5.780 351 HE1 TYR 44 1HE TYR 44 6.789 20.546 -5.397 352 HE2 TYR 44 2HE TYR 44 11.003 20.445 -4.759 353 HH TYR 44 HH TYR 44 9.525 22.424 -4.788 354 H ILE 45 H ILE 45 9.511 13.307 -5.216 355 HA ILE 45 HA ILE 45 8.264 11.955 -7.476 356 HB ILE 45 HB ILE 45 9.232 9.881 -6.473 357 HG12 ILE 45 2HG1 ILE 45 10.370 11.770 -4.387 358 HG13 ILE 45 1HG1 ILE 45 9.097 10.586 -4.115 359 HG21 ILE 45 1HG2 ILE 45 11.168 12.168 -6.811 360 HG22 ILE 45 2HG2 ILE 45 10.523 11.140 -8.091 361 HG23 ILE 45 3HG2 ILE 45 11.592 10.456 -6.865 362 HD11 ILE 45 3HD1 ILE 45 11.235 9.796 -3.283 363 HD12 ILE 45 1HD1 ILE 45 11.942 9.975 -4.889 364 HD13 ILE 45 2HD1 ILE 45 10.669 8.786 -4.613 365 H ARG 46 H ARG 46 6.558 13.245 -5.887 366 HA ARG 46 HA ARG 46 5.363 11.786 -3.756 367 HB2 ARG 46 2HB ARG 46 4.347 14.178 -5.301 368 HB3 ARG 46 1HB ARG 46 3.692 13.594 -3.770 369 HG2 ARG 46 2HG ARG 46 5.752 14.045 -2.643 370 HG3 ARG 46 1HG ARG 46 6.545 14.447 -4.156 371 HD2 ARG 46 2HD ARG 46 5.050 16.405 -4.373 372 HD3 ARG 46 1HD ARG 46 4.337 16.003 -2.803 373 HE ARG 46 HE ARG 46 7.059 16.058 -2.433 374 HH11 ARG 46 1HH1 ARG 46 4.663 18.489 -3.422 375 HH12 ARG 46 2HH1 ARG 46 5.526 19.810 -2.783 376 HH21 ARG 46 1HH2 ARG 46 8.260 17.886 -1.555 377 HH22 ARG 46 2HH2 ARG 46 7.643 19.450 -1.679 378 H ILE 47 H ILE 47 3.426 10.755 -3.672 379 HA ILE 47 HA ILE 47 2.779 9.322 -6.077 380 HB ILE 47 HB ILE 47 1.716 9.032 -3.254 381 HG12 ILE 47 2HG1 ILE 47 4.102 8.588 -3.320 382 HG13 ILE 47 1HG1 ILE 47 3.220 7.089 -3.069 383 HG21 ILE 47 1HG2 ILE 47 0.188 8.129 -4.885 384 HG22 ILE 47 2HG2 ILE 47 0.935 6.829 -3.948 385 HG23 ILE 47 3HG2 ILE 47 1.477 7.157 -5.597 386 HD11 ILE 47 3HD1 ILE 47 5.073 6.752 -4.585 387 HD12 ILE 47 1HD1 ILE 47 4.474 8.028 -5.644 388 HD13 ILE 47 2HD1 ILE 47 3.550 6.541 -5.449 389 H LEU 48 H LEU 48 0.985 9.563 -7.232 390 HA LEU 48 HA LEU 48 -1.053 11.355 -6.247 391 HB2 LEU 48 2HB LEU 48 0.297 11.392 -8.906 392 HB3 LEU 48 1HB LEU 48 -1.411 11.770 -8.847 393 HG LEU 48 HG LEU 48 -0.878 13.534 -7.177 394 HD11 LEU 48 1HD1 LEU 48 1.419 14.424 -7.102 395 HD12 LEU 48 2HD1 LEU 48 1.972 13.043 -8.050 396 HD13 LEU 48 3HD1 LEU 48 1.315 12.795 -6.432 397 HD21 LEU 48 3HD2 LEU 48 -1.361 14.090 -9.470 398 HD22 LEU 48 1HD2 LEU 48 0.319 13.807 -9.928 399 HD23 LEU 48 2HD2 LEU 48 -0.090 15.151 -8.862 400 HA PRO 49 HA PRO 49 -4.044 8.166 -6.707 401 HB2 PRO 49 2HB PRO 49 -5.584 10.389 -7.978 402 HB3 PRO 49 1HB PRO 49 -6.092 9.261 -6.702 403 HG2 PRO 49 2HG PRO 49 -5.457 11.720 -6.068 404 HG3 PRO 49 1HG PRO 49 -4.934 10.372 -5.042 405 HD2 PRO 49 2HD PRO 49 -3.332 12.028 -6.898 406 HD3 PRO 49 1HD PRO 49 -2.879 11.234 -5.374 407 H GLY 50 H GLY 50 -4.485 6.742 -8.213 408 HA2 GLY 50 2HA GLY 50 -5.164 6.099 -10.401 409 HA3 GLY 50 1HA GLY 50 -4.299 7.495 -11.035 410 H ASP 51 H ASP 51 -2.079 6.795 -9.017 411 HA ASP 51 HA ASP 51 -0.723 5.152 -10.969 412 HB2 ASP 51 2HB ASP 51 0.368 7.251 -9.903 413 HB3 ASP 51 1HB ASP 51 0.563 6.187 -8.494 414 H LYS 52 H LYS 52 0.652 3.604 -10.321 415 HA LYS 52 HA LYS 52 -0.571 1.614 -8.492 416 HB2 LYS 52 2HB LYS 52 -0.455 0.922 -10.873 417 HB3 LYS 52 1HB LYS 52 1.269 1.251 -10.864 418 HG2 LYS 52 2HG LYS 52 1.718 -0.610 -9.471 419 HG3 LYS 52 1HG LYS 52 -0.003 -0.878 -9.170 420 HD2 LYS 52 2HD LYS 52 -0.384 -1.495 -11.456 421 HD3 LYS 52 1HD LYS 52 1.239 -0.992 -11.918 422 HE2 LYS 52 2HE LYS 52 0.703 -3.211 -9.955 423 HE3 LYS 52 1HE LYS 52 0.858 -3.484 -11.689 424 HZ1 LYS 52 3HZ LYS 52 2.909 -3.830 -10.374 425 HZ2 LYS 52 1HZ LYS 52 2.951 -2.221 -9.995 426 HZ3 LYS 52 2HZ LYS 52 3.105 -2.706 -11.630 427 H VAL 53 H VAL 53 0.554 1.093 -6.713 428 HA VAL 53 HA VAL 53 3.407 1.681 -6.676 429 HB VAL 53 HB VAL 53 3.289 2.550 -4.392 430 HG11 VAL 53 1HG1 VAL 53 2.312 4.758 -4.882 431 HG12 VAL 53 2HG1 VAL 53 1.540 4.084 -6.318 432 HG13 VAL 53 3HG1 VAL 53 3.298 4.156 -6.217 433 HG21 VAL 53 3HG2 VAL 53 1.123 3.229 -3.404 434 HG22 VAL 53 1HG2 VAL 53 1.237 1.482 -3.629 435 HG23 VAL 53 2HG2 VAL 53 0.287 2.456 -4.750 436 H THR 54 H THR 54 4.582 0.612 -4.995 437 HA THR 54 HA THR 54 3.466 -1.998 -4.404 438 HB THR 54 HB THR 54 6.319 -1.022 -4.134 439 HG1 THR 54 1HG THR 54 4.920 -2.038 -6.425 440 HG21 THR 54 3HG2 THR 54 5.751 -3.142 -2.993 441 HG22 THR 54 1HG2 THR 54 6.847 -3.418 -4.347 442 HG23 THR 54 2HG2 THR 54 5.131 -3.788 -4.512 443 H VAL 55 H VAL 55 2.826 -2.356 -2.380 444 HA VAL 55 HA VAL 55 3.600 -0.426 -0.321 445 HB VAL 55 HB VAL 55 1.187 -0.378 -0.969 446 HG11 VAL 55 1HG1 VAL 55 -0.327 -2.188 -0.308 447 HG12 VAL 55 2HG1 VAL 55 1.047 -3.175 0.149 448 HG13 VAL 55 3HG1 VAL 55 0.823 -2.712 -1.537 449 HG21 VAL 55 3HG2 VAL 55 0.266 -0.486 1.313 450 HG22 VAL 55 1HG2 VAL 55 1.819 0.349 1.246 451 HG23 VAL 55 2HG2 VAL 55 1.736 -1.310 1.834 452 H GLU 56 H GLU 56 4.472 -1.170 1.503 453 HA GLU 56 HA GLU 56 4.856 -4.054 1.796 454 HB2 GLU 56 2HB GLU 56 6.490 -3.467 3.525 455 HB3 GLU 56 1HB GLU 56 6.825 -2.516 2.086 456 HG2 GLU 56 2HG GLU 56 5.724 -0.596 3.074 457 HG3 GLU 56 1HG GLU 56 5.317 -1.542 4.497 458 H MET 57 H MET 57 3.656 -5.162 3.296 459 HA MET 57 HA MET 57 2.200 -3.549 5.269 460 HB2 MET 57 2HB MET 57 0.906 -6.018 4.369 461 HB3 MET 57 1HB MET 57 0.212 -4.493 4.834 462 HG2 MET 57 2HG MET 57 1.109 -3.566 2.618 463 HG3 MET 57 1HG MET 57 1.322 -5.237 2.157 464 HE1 MET 57 3HE MET 57 -1.467 -3.579 4.345 465 HE2 MET 57 1HE MET 57 -2.691 -3.256 3.128 466 HE3 MET 57 2HE MET 57 -1.137 -2.428 3.053 467 H SER 58 H SER 58 1.613 -4.745 7.147 468 HA SER 58 HA SER 58 3.792 -6.415 7.964 469 HB2 SER 58 2HB SER 58 1.281 -5.929 9.488 470 HB3 SER 58 1HB SER 58 2.936 -6.061 10.120 471 HG SER 58 HG SER 58 1.464 -4.042 9.195 472 HA PRO 59 HA PRO 59 1.647 -10.220 6.787 473 HB2 PRO 59 2HB PRO 59 2.967 -11.402 9.174 474 HB3 PRO 59 1HB PRO 59 3.070 -11.908 7.475 475 HG2 PRO 59 2HG PRO 59 5.117 -10.716 8.623 476 HG3 PRO 59 1HG PRO 59 4.676 -10.354 6.942 477 HD2 PRO 59 2HD PRO 59 4.187 -8.732 9.399 478 HD3 PRO 59 1HD PRO 59 4.661 -8.214 7.763 479 H TYR 60 H TYR 60 1.336 -8.675 9.761 480 HA TYR 60 HA TYR 60 -0.719 -10.485 10.753 481 HB2 TYR 60 2HB TYR 60 1.113 -9.778 12.270 482 HB3 TYR 60 1HB TYR 60 0.591 -8.113 12.103 483 HD1 TYR 60 2HD TYR 60 -0.564 -11.456 13.270 484 HD2 TYR 60 1HD TYR 60 -0.992 -7.237 13.614 485 HE1 TYR 60 2HE TYR 60 -2.057 -11.771 15.198 486 HE2 TYR 60 1HE TYR 60 -2.486 -7.541 15.546 487 HH TYR 60 HH TYR 60 -2.820 -10.511 17.158 488 H ASP 61 H ASP 61 -0.629 -7.669 8.789 489 HA ASP 61 HA ASP 61 -3.330 -7.125 9.727 490 HB2 ASP 61 2HB ASP 61 -3.227 -4.742 9.549 491 HB3 ASP 61 1HB ASP 61 -1.895 -5.216 10.577 492 H LEU 62 H LEU 62 -1.372 -6.127 6.958 493 HA LEU 62 HA LEU 62 -1.818 -5.900 4.772 494 HB2 LEU 62 2HB LEU 62 -3.487 -8.321 5.348 495 HB3 LEU 62 1HB LEU 62 -3.639 -7.549 3.786 496 HG LEU 62 HG LEU 62 -1.173 -7.876 3.467 497 HD11 LEU 62 1HD1 LEU 62 -0.036 -9.546 4.834 498 HD12 LEU 62 2HD1 LEU 62 -1.437 -9.629 5.903 499 HD13 LEU 62 3HD1 LEU 62 -0.502 -8.138 5.787 500 HD21 LEU 62 3HD2 LEU 62 -2.779 -9.347 2.413 501 HD22 LEU 62 1HD2 LEU 62 -2.851 -10.348 3.864 502 HD23 LEU 62 2HD2 LEU 62 -1.361 -10.263 2.925 503 H THR 63 H THR 63 -3.245 -4.360 6.671 504 HA THR 63 HA THR 63 -5.345 -3.512 4.848 505 HB THR 63 HB THR 63 -6.384 -4.544 6.856 506 HG1 THR 63 1HG THR 63 -6.736 -1.762 6.447 507 HG21 THR 63 3HG2 THR 63 -5.107 -2.234 8.345 508 HG22 THR 63 1HG2 THR 63 -4.702 -3.941 8.527 509 HG23 THR 63 2HG2 THR 63 -6.293 -3.358 9.019 510 H ARG 64 H ARG 64 -2.487 -2.752 6.457 511 HA ARG 64 HA ARG 64 -2.735 0.059 5.767 512 HB2 ARG 64 2HB ARG 64 -3.352 -0.428 8.222 513 HB3 ARG 64 1HB ARG 64 -1.744 -1.049 8.409 514 HG2 ARG 64 2HG ARG 64 -2.346 1.821 7.686 515 HG3 ARG 64 1HG ARG 64 -2.061 1.239 9.326 516 HD2 ARG 64 2HD ARG 64 -0.243 1.181 6.992 517 HD3 ARG 64 1HD ARG 64 -0.015 2.175 8.444 518 HE ARG 64 HE ARG 64 -0.174 -0.448 9.303 519 HH11 ARG 64 1HH1 ARG 64 2.106 1.369 7.313 520 HH12 ARG 64 2HH1 ARG 64 3.398 0.266 7.523 521 HH21 ARG 64 1HH2 ARG 64 1.558 -1.991 9.548 522 HH22 ARG 64 2HH2 ARG 64 3.056 -1.738 8.836 523 H GLY 65 H GLY 65 -0.700 0.800 4.977 524 HA2 GLY 65 2HA GLY 65 1.634 -0.871 5.445 525 HA3 GLY 65 1HA GLY 65 1.081 -0.796 3.783 526 H ARG 66 H ARG 66 3.218 0.016 3.399 527 HA ARG 66 HA ARG 66 3.234 2.927 3.470 528 HB2 ARG 66 2HB ARG 66 4.758 2.494 5.274 529 HB3 ARG 66 1HB ARG 66 5.544 1.188 4.398 530 HG2 ARG 66 2HG ARG 66 6.491 2.772 2.815 531 HG3 ARG 66 1HG ARG 66 5.631 4.092 3.587 532 HD2 ARG 66 2HD ARG 66 7.964 3.971 4.072 533 HD3 ARG 66 1HD ARG 66 6.970 3.899 5.539 534 HE ARG 66 HE ARG 66 7.797 1.315 4.449 535 HH11 ARG 66 1HH1 ARG 66 8.841 3.846 6.685 536 HH12 ARG 66 2HH1 ARG 66 9.745 2.767 7.661 537 HH21 ARG 66 1HH2 ARG 66 8.877 -0.093 5.739 538 HH22 ARG 66 2HH2 ARG 66 9.793 0.377 7.091 539 H ILE 67 H ILE 67 4.164 3.880 1.705 540 HA ILE 67 HA ILE 67 4.632 2.174 -0.586 541 HB ILE 67 HB ILE 67 4.488 5.178 -0.306 542 HG12 ILE 67 2HG1 ILE 67 2.666 4.728 -2.130 543 HG13 ILE 67 1HG1 ILE 67 2.818 3.080 -1.484 544 HG21 ILE 67 1HG2 ILE 67 5.144 3.642 -2.798 545 HG22 ILE 67 2HG2 ILE 67 6.208 4.674 -1.839 546 HG23 ILE 67 3HG2 ILE 67 4.837 5.395 -2.699 547 HD11 ILE 67 3HD1 ILE 67 2.112 5.518 0.131 548 HD12 ILE 67 1HD1 ILE 67 2.221 3.861 0.713 549 HD13 ILE 67 2HD1 ILE 67 0.959 4.307 -0.443 550 H THR 68 H THR 68 6.510 1.518 -1.061 551 HA THR 68 HA THR 68 8.837 3.102 -0.209 552 HB THR 68 HB THR 68 10.080 0.931 -0.722 553 HG1 THR 68 1HG THR 68 8.114 -0.696 -0.074 554 HG21 THR 68 3HG2 THR 68 8.108 1.079 1.539 555 HG22 THR 68 1HG2 THR 68 9.724 1.785 1.531 556 HG23 THR 68 2HG2 THR 68 9.529 0.029 1.503 557 H TYR 69 H TYR 69 7.131 1.823 -2.956 558 HA TYR 69 HA TYR 69 8.850 3.277 -4.735 559 HB2 TYR 69 2HB TYR 69 9.932 0.994 -4.351 560 HB3 TYR 69 1HB TYR 69 8.466 0.335 -5.083 561 HD1 TYR 69 1HD TYR 69 11.093 2.892 -5.857 562 HD2 TYR 69 2HD TYR 69 8.543 -0.163 -7.362 563 HE1 TYR 69 1HE TYR 69 12.076 3.182 -8.093 564 HE2 TYR 69 2HE TYR 69 9.524 0.128 -9.607 565 HH TYR 69 HH TYR 69 12.355 1.901 -10.172 566 H ARG 70 H ARG 70 7.925 3.262 -6.877 567 HA ARG 70 HA ARG 70 5.144 2.457 -6.910 568 HB2 ARG 70 2HB ARG 70 4.733 4.362 -8.407 569 HB3 ARG 70 1HB ARG 70 5.165 4.838 -6.762 570 HG2 ARG 70 2HG ARG 70 7.566 5.081 -7.748 571 HG3 ARG 70 1HG ARG 70 6.742 5.119 -9.305 572 HD2 ARG 70 2HD ARG 70 6.345 7.000 -6.983 573 HD3 ARG 70 1HD ARG 70 7.100 7.371 -8.526 574 HE ARG 70 HE ARG 70 4.482 6.502 -9.042 575 HH11 ARG 70 1HH1 ARG 70 6.028 9.212 -7.351 576 HH12 ARG 70 2HH1 ARG 70 4.760 10.283 -7.678 577 HH21 ARG 70 1HH2 ARG 70 2.869 7.875 -9.487 578 HH22 ARG 70 2HH2 ARG 70 2.879 9.543 -9.028 579 H TYR 71 H TYR 71 5.021 0.775 -8.147 580 HA TYR 71 HA TYR 71 6.970 0.431 -10.282 581 HB2 TYR 71 2HB TYR 71 6.863 -1.144 -8.379 582 HB3 TYR 71 1HB TYR 71 5.214 -1.507 -8.875 583 HD1 TYR 71 2HD TYR 71 8.739 -1.678 -10.098 584 HD2 TYR 71 1HD TYR 71 4.790 -3.200 -10.471 585 HE1 TYR 71 2HE TYR 71 9.554 -3.397 -11.652 586 HE2 TYR 71 1HE TYR 71 5.591 -4.923 -12.024 587 HH TYR 71 HH TYR 71 7.457 -5.228 -13.551 588 H LYS 72 H LYS 72 6.251 -0.320 -12.306 589 HA LYS 72 HA LYS 72 3.421 0.091 -12.771 590 HB2 LYS 72 2HB LYS 72 5.791 0.686 -14.578 591 HB3 LYS 72 1HB LYS 72 4.146 0.578 -15.188 592 HG2 LYS 72 2HG LYS 72 4.647 2.882 -14.877 593 HG3 LYS 72 1HG LYS 72 3.520 2.419 -13.610 594 HD2 LYS 72 2HD LYS 72 5.827 1.988 -12.309 595 HD3 LYS 72 1HD LYS 72 6.370 3.241 -13.428 596 HE2 LYS 72 2HE LYS 72 5.604 4.258 -11.371 597 HE3 LYS 72 1HE LYS 72 4.496 4.664 -12.685 598 HZ1 LYS 72 3HZ LYS 72 4.001 2.643 -10.517 599 HZ2 LYS 72 1HZ LYS 72 3.069 2.803 -11.909 600 HZ3 LYS 72 2HZ LYS 72 3.143 4.062 -10.886 Start of MODEL 5 1 H1 MET 1 1HT MET 1 8.712 -12.532 -5.207 2 H2 MET 1 2HT MET 1 10.056 -12.880 -6.228 3 H3 MET 1 3HT MET 1 9.903 -11.387 -5.394 4 HA MET 1 HA MET 1 10.134 -13.879 -3.928 5 HB2 MET 1 2HB MET 1 12.219 -13.326 -5.245 6 HB3 MET 1 1HB MET 1 12.214 -11.731 -4.517 7 HG2 MET 1 2HG MET 1 12.585 -12.718 -2.317 8 HG3 MET 1 1HG MET 1 12.523 -14.331 -3.019 9 HE1 MET 1 2HE MET 1 15.904 -11.274 -3.810 10 HE2 MET 1 3HE MET 1 14.568 -10.995 -2.693 11 HE3 MET 1 1HE MET 1 14.271 -11.037 -4.431 12 H ALA 2 H ALA 2 10.414 -13.266 -1.596 13 HA ALA 2 HA ALA 2 9.682 -10.568 -0.942 14 HB1 ALA 2 1HB ALA 2 7.886 -11.415 0.554 15 HB2 ALA 2 2HB ALA 2 8.117 -13.032 -0.112 16 HB3 ALA 2 3HB ALA 2 7.521 -11.733 -1.144 17 H LYS 3 H LYS 3 9.659 -10.703 1.652 18 HA LYS 3 HA LYS 3 11.757 -12.541 2.463 19 HB2 LYS 3 2HB LYS 3 13.127 -10.856 3.514 20 HB3 LYS 3 1HB LYS 3 12.851 -10.354 1.864 21 HG2 LYS 3 2HG LYS 3 11.506 -9.216 4.325 22 HG3 LYS 3 1HG LYS 3 12.800 -8.460 3.404 23 HD2 LYS 3 2HD LYS 3 11.273 -8.400 1.441 24 HD3 LYS 3 1HD LYS 3 9.996 -9.041 2.474 25 HE2 LYS 3 2HE LYS 3 10.290 -7.065 3.954 26 HE3 LYS 3 1HE LYS 3 11.432 -6.412 2.778 27 HZ1 LYS 3 3HZ LYS 3 8.572 -6.992 2.369 28 HZ2 LYS 3 1HZ LYS 3 9.636 -6.649 1.116 29 HZ3 LYS 3 2HZ LYS 3 9.332 -5.460 2.288 30 H GLN 4 H GLN 4 12.097 -11.860 5.015 31 HA GLN 4 HA GLN 4 9.585 -12.700 6.142 32 HB2 GLN 4 2HB GLN 4 10.911 -12.932 8.226 33 HB3 GLN 4 1HB GLN 4 11.554 -13.852 6.874 34 HG2 GLN 4 2HG GLN 4 13.298 -12.248 6.522 35 HG3 GLN 4 1HG GLN 4 12.600 -11.161 7.721 36 HE21 GLN 4 1HE2 GLN 4 12.833 -11.608 9.858 37 HE22 GLN 4 2HE2 GLN 4 13.964 -12.772 10.459 38 H ASP 5 H ASP 5 9.035 -11.759 8.314 39 HA ASP 5 HA ASP 5 8.312 -10.176 9.667 40 HB2 ASP 5 2HB ASP 5 10.616 -8.553 8.583 41 HB3 ASP 5 1HB ASP 5 9.576 -8.012 9.898 42 H VAL 6 H VAL 6 9.144 -8.324 6.930 43 HA VAL 6 HA VAL 6 6.363 -7.287 6.950 44 HB VAL 6 HB VAL 6 8.796 -5.881 5.787 45 HG11 VAL 6 1HG1 VAL 6 6.710 -5.248 4.721 46 HG12 VAL 6 2HG1 VAL 6 7.356 -3.913 5.680 47 HG13 VAL 6 3HG1 VAL 6 6.006 -4.868 6.292 48 HG21 VAL 6 3HG2 VAL 6 9.001 -6.008 8.211 49 HG22 VAL 6 1HG2 VAL 6 7.379 -5.342 8.396 50 HG23 VAL 6 2HG2 VAL 6 8.665 -4.351 7.704 51 H ILE 7 H ILE 7 5.225 -7.285 4.982 52 HA ILE 7 HA ILE 7 6.523 -8.802 2.824 53 HB ILE 7 HB ILE 7 3.568 -8.714 3.553 54 HG12 ILE 7 2HG1 ILE 7 5.577 -10.952 3.932 55 HG13 ILE 7 1HG1 ILE 7 4.910 -9.951 5.215 56 HG21 ILE 7 1HG2 ILE 7 5.026 -10.397 1.503 57 HG22 ILE 7 2HG2 ILE 7 3.925 -9.064 1.159 58 HG23 ILE 7 3HG2 ILE 7 3.316 -10.537 1.915 59 HD11 ILE 7 3HD1 ILE 7 3.842 -12.141 5.118 60 HD12 ILE 7 1HD1 ILE 7 3.342 -11.830 3.456 61 HD13 ILE 7 2HD1 ILE 7 2.689 -10.852 4.772 62 H GLU 8 H GLU 8 6.282 -8.028 0.746 63 HA GLU 8 HA GLU 8 5.149 -5.364 0.525 64 HB2 GLU 8 2HB GLU 8 6.448 -5.255 -1.638 65 HB3 GLU 8 1HB GLU 8 7.428 -5.361 -0.192 66 HG2 GLU 8 2HG GLU 8 6.796 -7.794 -1.848 67 HG3 GLU 8 1HG GLU 8 8.142 -6.728 -2.237 68 H LEU 9 H LEU 9 3.328 -5.093 -0.400 69 HA LEU 9 HA LEU 9 2.305 -7.089 -2.310 70 HB2 LEU 9 2HB LEU 9 0.700 -5.392 -0.376 71 HB3 LEU 9 1HB LEU 9 0.049 -6.536 -1.525 72 HG LEU 9 HG LEU 9 1.642 -7.192 0.967 73 HD11 LEU 9 1HD1 LEU 9 -0.629 -6.513 1.403 74 HD12 LEU 9 2HD1 LEU 9 -0.421 -8.237 1.700 75 HD13 LEU 9 3HD1 LEU 9 -1.229 -7.685 0.231 76 HD21 LEU 9 3HD2 LEU 9 1.200 -9.542 0.407 77 HD22 LEU 9 1HD2 LEU 9 2.190 -8.770 -0.832 78 HD23 LEU 9 2HD2 LEU 9 0.472 -9.045 -1.121 79 H GLU 10 H GLU 10 0.841 -6.078 -3.923 80 HA GLU 10 HA GLU 10 1.523 -3.269 -4.292 81 HB2 GLU 10 2HB GLU 10 0.870 -5.393 -6.313 82 HB3 GLU 10 1HB GLU 10 0.788 -3.683 -6.698 83 HG2 GLU 10 2HG GLU 10 3.183 -3.488 -6.061 84 HG3 GLU 10 1HG GLU 10 3.225 -5.243 -5.865 85 H GLY 11 H GLY 11 -0.045 -1.891 -5.142 86 HA2 GLY 11 2HA GLY 11 -2.781 -2.706 -5.277 87 HA3 GLY 11 1HA GLY 11 -2.432 -1.691 -3.882 88 H THR 12 H THR 12 -4.121 -0.666 -5.505 89 HA THR 12 HA THR 12 -2.646 1.282 -7.173 90 HB THR 12 HB THR 12 -5.493 0.346 -7.509 91 HG1 THR 12 1HG THR 12 -3.873 -1.318 -7.961 92 HG21 THR 12 3HG2 THR 12 -3.645 1.920 -9.327 93 HG22 THR 12 1HG2 THR 12 -5.001 2.578 -8.413 94 HG23 THR 12 2HG2 THR 12 -5.295 1.435 -9.727 95 H VAL 13 H VAL 13 -2.911 3.328 -6.559 96 HA VAL 13 HA VAL 13 -4.644 3.777 -4.275 97 HB VAL 13 HB VAL 13 -2.425 4.576 -3.889 98 HG11 VAL 13 1HG1 VAL 13 -2.689 6.107 -6.426 99 HG12 VAL 13 2HG1 VAL 13 -1.669 4.689 -6.061 100 HG13 VAL 13 3HG1 VAL 13 -1.369 6.224 -5.243 101 HG21 VAL 13 3HG2 VAL 13 -2.750 6.987 -3.485 102 HG22 VAL 13 1HG2 VAL 13 -4.148 6.033 -2.971 103 HG23 VAL 13 2HG2 VAL 13 -4.210 6.930 -4.478 104 H LEU 14 H LEU 14 -6.391 4.917 -4.199 105 HA LEU 14 HA LEU 14 -7.263 6.092 -6.725 106 HB2 LEU 14 2HB LEU 14 -8.868 4.983 -4.438 107 HB3 LEU 14 1HB LEU 14 -9.586 5.985 -5.672 108 HG LEU 14 HG LEU 14 -8.850 4.259 -7.366 109 HD11 LEU 14 1HD1 LEU 14 -8.394 1.999 -6.592 110 HD12 LEU 14 2HD1 LEU 14 -8.346 2.577 -4.926 111 HD13 LEU 14 3HD1 LEU 14 -7.136 3.127 -6.087 112 HD21 LEU 14 3HD2 LEU 14 -10.786 3.400 -5.230 113 HD22 LEU 14 1HD2 LEU 14 -10.700 2.739 -6.861 114 HD23 LEU 14 2HD2 LEU 14 -11.145 4.429 -6.615 115 H ASP 15 H ASP 15 -6.773 6.850 -3.328 116 HA ASP 15 HA ASP 15 -7.496 9.604 -3.961 117 HB2 ASP 15 2HB ASP 15 -9.505 8.701 -3.018 118 HB3 ASP 15 1HB ASP 15 -8.580 8.037 -1.659 119 H THR 16 H THR 16 -6.923 11.069 -2.373 120 HA THR 16 HA THR 16 -4.171 10.586 -1.402 121 HB THR 16 HB THR 16 -3.981 13.106 -1.543 122 HG1 THR 16 1HG THR 16 -6.541 13.016 -1.788 123 HG21 THR 16 3HG2 THR 16 -3.140 11.598 -3.309 124 HG22 THR 16 1HG2 THR 16 -3.728 13.131 -3.975 125 HG23 THR 16 2HG2 THR 16 -4.728 11.678 -4.068 126 H LEU 17 H LEU 17 -3.894 10.560 0.794 127 HA LEU 17 HA LEU 17 -6.069 11.709 2.346 128 HB2 LEU 17 2HB LEU 17 -4.225 9.435 2.974 129 HB3 LEU 17 1HB LEU 17 -5.362 10.097 4.140 130 HG LEU 17 HG LEU 17 -5.949 8.519 1.613 131 HD11 LEU 17 1HD1 LEU 17 -6.492 7.996 4.505 132 HD12 LEU 17 2HD1 LEU 17 -5.255 7.229 3.506 133 HD13 LEU 17 3HD1 LEU 17 -6.963 6.974 3.147 134 HD21 LEU 17 3HD2 LEU 17 -7.909 9.865 3.487 135 HD22 LEU 17 1HD2 LEU 17 -8.318 8.756 2.179 136 HD23 LEU 17 2HD2 LEU 17 -7.610 10.324 1.808 137 HA PRO 18 HA PRO 18 -3.352 14.651 4.297 138 HB2 PRO 18 2HB PRO 18 -4.634 13.795 6.844 139 HB3 PRO 18 1HB PRO 18 -4.506 15.423 6.146 140 HG2 PRO 18 2HG PRO 18 -6.807 14.151 6.107 141 HG3 PRO 18 1HG PRO 18 -6.279 15.126 4.721 142 HD2 PRO 18 2HD PRO 18 -6.318 12.165 5.021 143 HD3 PRO 18 1HD PRO 18 -6.650 13.178 3.598 144 H ASN 19 H ASN 19 -1.505 14.758 5.554 145 HA ASN 19 HA ASN 19 0.310 14.177 6.790 146 HB2 ASN 19 2HB ASN 19 -1.381 13.265 8.464 147 HB3 ASN 19 1HB ASN 19 -1.235 11.702 7.681 148 HD21 ASN 19 1HD2 ASN 19 0.317 14.024 9.773 149 HD22 ASN 19 2HD2 ASN 19 1.543 12.958 10.355 150 H ALA 20 H ALA 20 -0.202 13.264 4.059 151 HA ALA 20 HA ALA 20 0.964 12.203 2.380 152 HB1 ALA 20 1HB ALA 20 2.983 12.956 3.589 153 HB2 ALA 20 2HB ALA 20 3.239 11.397 2.802 154 HB3 ALA 20 3HB ALA 20 2.958 11.473 4.542 155 H MET 21 H MET 21 -1.105 10.937 3.795 156 HA MET 21 HA MET 21 -0.406 8.085 3.677 157 HB2 MET 21 2HB MET 21 -1.765 9.229 5.668 158 HB3 MET 21 1HB MET 21 -3.035 9.252 4.448 159 HG2 MET 21 2HG MET 21 -3.470 7.406 5.757 160 HG3 MET 21 1HG MET 21 -2.801 6.780 4.248 161 HE1 MET 21 3HE MET 21 -2.405 7.251 8.067 162 HE2 MET 21 1HE MET 21 -1.156 8.356 7.496 163 HE3 MET 21 2HE MET 21 -0.706 6.886 8.359 164 H PHE 22 H PHE 22 -2.055 6.881 2.467 165 HA PHE 22 HA PHE 22 -3.559 8.398 0.477 166 HB2 PHE 22 2HB PHE 22 -1.441 6.354 -0.246 167 HB3 PHE 22 1HB PHE 22 -2.686 6.888 -1.363 168 HD1 PHE 22 2HD PHE 22 -2.677 9.200 -2.196 169 HD2 PHE 22 1HD PHE 22 0.449 7.718 0.271 170 HE1 PHE 22 2HE PHE 22 -1.257 11.109 -2.842 171 HE2 PHE 22 1HE PHE 22 1.860 9.626 -0.371 172 HZ PHE 22 HZ PHE 22 1.004 11.320 -1.926 173 H LYS 23 H LYS 23 -5.268 7.263 -0.444 174 HA LYS 23 HA LYS 23 -6.050 4.896 1.073 175 HB2 LYS 23 2HB LYS 23 -7.685 6.802 0.663 176 HB3 LYS 23 1HB LYS 23 -7.591 6.396 -1.048 177 HG2 LYS 23 2HG LYS 23 -8.397 4.115 -0.505 178 HG3 LYS 23 1HG LYS 23 -8.631 4.639 1.161 179 HD2 LYS 23 2HD LYS 23 -10.163 6.420 0.304 180 HD3 LYS 23 1HD LYS 23 -10.003 5.709 -1.302 181 HE2 LYS 23 2HE LYS 23 -11.095 4.341 1.157 182 HE3 LYS 23 1HE LYS 23 -12.035 4.932 -0.206 183 HZ1 LYS 23 3HZ LYS 23 -11.588 2.516 -0.167 184 HZ2 LYS 23 1HZ LYS 23 -9.968 2.789 -0.422 185 HZ3 LYS 23 2HZ LYS 23 -10.999 3.195 -1.625 186 H VAL 24 H VAL 24 -5.144 3.187 0.263 187 HA VAL 24 HA VAL 24 -4.948 2.984 -2.673 188 HB VAL 24 HB VAL 24 -3.112 1.572 -0.733 189 HG11 VAL 24 1HG1 VAL 24 -1.653 1.247 -2.619 190 HG12 VAL 24 2HG1 VAL 24 -2.848 2.015 -3.664 191 HG13 VAL 24 3HG1 VAL 24 -3.237 0.504 -2.844 192 HG21 VAL 24 3HG2 VAL 24 -1.374 3.264 -1.378 193 HG22 VAL 24 1HG2 VAL 24 -2.676 3.871 -0.349 194 HG23 VAL 24 2HG2 VAL 24 -2.692 4.234 -2.056 195 H GLU 25 H GLU 25 -5.880 1.318 -3.629 196 HA GLU 25 HA GLU 25 -6.970 -0.682 -1.859 197 HB2 GLU 25 2HB GLU 25 -7.880 0.371 -4.486 198 HB3 GLU 25 1HB GLU 25 -8.214 -1.313 -4.114 199 HG2 GLU 25 2HG GLU 25 -10.124 -0.168 -3.436 200 HG3 GLU 25 1HG GLU 25 -9.190 -0.533 -1.991 201 H LEU 26 H LEU 26 -6.104 -2.425 -1.718 202 HA LEU 26 HA LEU 26 -3.865 -3.384 -3.192 203 HB2 LEU 26 2HB LEU 26 -5.832 -4.878 -1.464 204 HB3 LEU 26 1HB LEU 26 -4.435 -5.633 -2.186 205 HG LEU 26 HG LEU 26 -4.314 -3.374 -0.185 206 HD11 LEU 26 1HD1 LEU 26 -3.858 -6.343 0.150 207 HD12 LEU 26 2HD1 LEU 26 -5.211 -5.425 0.811 208 HD13 LEU 26 3HD1 LEU 26 -3.570 -5.113 1.378 209 HD21 LEU 26 3HD2 LEU 26 -2.189 -5.162 -1.371 210 HD22 LEU 26 1HD2 LEU 26 -1.936 -4.020 -0.052 211 HD23 LEU 26 2HD2 LEU 26 -2.377 -3.429 -1.649 212 H GLU 27 H GLU 27 -3.765 -5.316 -4.509 213 HA GLU 27 HA GLU 27 -5.263 -5.372 -6.815 214 HB2 GLU 27 2HB GLU 27 -4.009 -7.815 -5.557 215 HB3 GLU 27 1HB GLU 27 -4.252 -7.505 -7.265 216 HG2 GLU 27 2HG GLU 27 -2.352 -5.992 -5.472 217 HG3 GLU 27 1HG GLU 27 -1.905 -7.300 -6.552 218 H ASN 28 H ASN 28 -6.006 -6.795 -3.748 219 HA ASN 28 HA ASN 28 -8.067 -8.605 -4.790 220 HB2 ASN 28 2HB ASN 28 -6.365 -9.123 -2.875 221 HB3 ASN 28 1HB ASN 28 -7.462 -8.194 -1.866 222 HD21 ASN 28 1HD2 ASN 28 -9.610 -9.059 -1.522 223 HD22 ASN 28 2HD2 ASN 28 -9.893 -10.753 -1.741 224 H GLY 29 H GLY 29 -8.098 -5.402 -4.344 225 HA2 GLY 29 2HA GLY 29 -9.960 -4.016 -4.390 226 HA3 GLY 29 1HA GLY 29 -10.965 -5.396 -3.996 227 H HIS 30 H HIS 30 -8.410 -5.014 -1.790 228 HA HIS 30 HA HIS 30 -10.282 -4.004 0.209 229 HB2 HIS 30 2HB HIS 30 -8.698 -6.032 0.514 230 HB3 HIS 30 1HB HIS 30 -7.483 -4.764 0.530 231 HD1 HIS 30 1HD HIS 30 -6.613 -4.731 2.968 232 HD2 HIS 30 2HD HIS 30 -10.774 -4.437 2.689 233 HE1 HIS 30 1HE HIS 30 -7.390 -4.172 5.236 234 HE2 HIS 30 2HE HIS 30 -9.794 -3.596 4.938 235 H GLU 31 H GLU 31 -9.911 -2.132 1.207 236 HA GLU 31 HA GLU 31 -7.944 -0.428 -0.013 237 HB2 GLU 31 2HB GLU 31 -9.141 1.425 1.055 238 HB3 GLU 31 1HB GLU 31 -10.163 0.496 -0.018 239 HG2 GLU 31 2HG GLU 31 -11.193 -0.584 1.938 240 HG3 GLU 31 1HG GLU 31 -10.157 0.399 2.988 241 H ILE 32 H ILE 32 -6.403 0.399 1.023 242 HA ILE 32 HA ILE 32 -6.031 -0.261 3.832 243 HB ILE 32 HB ILE 32 -3.631 -0.739 3.309 244 HG12 ILE 32 2HG1 ILE 32 -4.545 -0.836 0.456 245 HG13 ILE 32 1HG1 ILE 32 -3.700 0.559 1.136 246 HG21 ILE 32 1HG2 ILE 32 -5.600 -2.469 1.816 247 HG22 ILE 32 2HG2 ILE 32 -5.196 -2.625 3.519 248 HG23 ILE 32 3HG2 ILE 32 -3.981 -2.962 2.283 249 HD11 ILE 32 3HD1 ILE 32 -2.191 -0.859 -0.116 250 HD12 ILE 32 1HD1 ILE 32 -2.637 -2.241 0.886 251 HD13 ILE 32 2HD1 ILE 32 -1.775 -0.879 1.602 252 H LEU 33 H LEU 33 -4.673 1.244 4.845 253 HA LEU 33 HA LEU 33 -4.506 3.804 3.404 254 HB2 LEU 33 2HB LEU 33 -4.163 3.208 6.344 255 HB3 LEU 33 1HB LEU 33 -4.381 4.778 5.584 256 HG LEU 33 HG LEU 33 -6.464 2.607 5.623 257 HD11 LEU 33 1HD1 LEU 33 -7.644 3.982 7.263 258 HD12 LEU 33 2HD1 LEU 33 -6.270 5.092 7.328 259 HD13 LEU 33 3HD1 LEU 33 -6.092 3.421 7.881 260 HD21 LEU 33 3HD2 LEU 33 -6.718 4.108 3.743 261 HD22 LEU 33 1HD2 LEU 33 -6.649 5.503 4.822 262 HD23 LEU 33 2HD2 LEU 33 -8.004 4.378 4.920 263 H ALA 34 H ALA 34 -2.582 4.314 2.726 264 HA ALA 34 HA ALA 34 -0.320 2.869 3.915 265 HB1 ALA 34 1HB ALA 34 -0.705 3.507 1.001 266 HB2 ALA 34 2HB ALA 34 -0.902 1.922 1.749 267 HB3 ALA 34 3HB ALA 34 0.685 2.692 1.716 268 H HIS 35 H HIS 35 1.467 3.952 4.275 269 HA HIS 35 HA HIS 35 1.321 6.869 3.864 270 HB2 HIS 35 2HB HIS 35 1.488 5.751 6.219 271 HB3 HIS 35 1HB HIS 35 3.166 5.471 5.775 272 HD1 HIS 35 1HD HIS 35 4.554 7.846 5.171 273 HD2 HIS 35 2HD HIS 35 0.993 8.146 7.301 274 HE1 HIS 35 1HE HIS 35 4.613 10.068 6.283 275 HE2 HIS 35 2HE HIS 35 2.255 10.332 7.149 276 H VAL 36 H VAL 36 2.922 7.795 2.700 277 HA VAL 36 HA VAL 36 4.857 6.053 1.478 278 HB VAL 36 HB VAL 36 5.635 8.060 0.228 279 HG11 VAL 36 1HG1 VAL 36 2.687 7.497 0.151 280 HG12 VAL 36 2HG1 VAL 36 3.955 6.656 -0.747 281 HG13 VAL 36 3HG1 VAL 36 3.584 8.341 -1.108 282 HG21 VAL 36 3HG2 VAL 36 4.323 10.138 0.344 283 HG22 VAL 36 1HG2 VAL 36 5.113 9.784 1.882 284 HG23 VAL 36 2HG2 VAL 36 3.390 9.466 1.681 285 H SER 37 H SER 37 7.077 6.249 1.584 286 HA SER 37 HA SER 37 8.061 6.634 4.192 287 HB2 SER 37 2HB SER 37 10.201 6.031 3.322 288 HB3 SER 37 1HB SER 37 9.021 5.096 2.415 289 HG SER 37 HG SER 37 9.433 6.204 0.644 290 H GLY 38 H GLY 38 9.784 8.109 4.830 291 HA2 GLY 38 2HA GLY 38 9.223 10.786 4.501 292 HA3 GLY 38 1HA GLY 38 10.746 10.150 5.096 293 H LYS 39 H LYS 39 11.051 8.747 2.318 294 HA LYS 39 HA LYS 39 12.633 10.888 1.232 295 HB2 LYS 39 2HB LYS 39 12.035 8.111 0.164 296 HB3 LYS 39 1HB LYS 39 13.010 9.272 -0.708 297 HG2 LYS 39 2HG LYS 39 14.504 7.769 0.359 298 HG3 LYS 39 1HG LYS 39 14.590 9.283 1.250 299 HD2 LYS 39 2HD LYS 39 13.111 8.337 2.973 300 HD3 LYS 39 1HD LYS 39 13.027 6.826 2.065 301 HE2 LYS 39 2HE LYS 39 15.533 8.051 3.236 302 HE3 LYS 39 1HE LYS 39 14.651 6.682 3.907 303 HZ1 LYS 39 3HZ LYS 39 16.026 6.753 1.268 304 HZ2 LYS 39 1HZ LYS 39 15.163 5.430 1.876 305 HZ3 LYS 39 2HZ LYS 39 16.570 5.947 2.648 306 H ILE 40 H ILE 40 9.622 9.350 0.538 307 HA ILE 40 HA ILE 40 9.192 10.740 -1.918 308 HB ILE 40 HB ILE 40 7.384 9.023 -0.199 309 HG12 ILE 40 2HG1 ILE 40 8.708 8.428 -2.840 310 HG13 ILE 40 1HG1 ILE 40 9.357 7.918 -1.284 311 HG21 ILE 40 1HG2 ILE 40 6.907 10.093 -2.980 312 HG22 ILE 40 2HG2 ILE 40 6.036 10.581 -1.521 313 HG23 ILE 40 3HG2 ILE 40 5.872 8.937 -2.140 314 HD11 ILE 40 3HD1 ILE 40 6.720 7.081 -2.485 315 HD12 ILE 40 1HD1 ILE 40 7.343 6.557 -0.922 316 HD13 ILE 40 2HD1 ILE 40 8.183 6.099 -2.405 317 H ARG 41 H ARG 41 8.308 11.102 1.439 318 HA ARG 41 HA ARG 41 6.315 13.098 1.077 319 HB2 ARG 41 2HB ARG 41 6.948 11.660 3.204 320 HB3 ARG 41 1HB ARG 41 8.035 12.991 3.550 321 HG2 ARG 41 2HG ARG 41 5.055 13.281 3.165 322 HG3 ARG 41 1HG ARG 41 5.838 13.125 4.729 323 HD2 ARG 41 2HD ARG 41 6.444 15.337 2.770 324 HD3 ARG 41 1HD ARG 41 5.197 15.466 4.006 325 HE ARG 41 HE ARG 41 7.062 15.022 5.611 326 HH11 ARG 41 1HH1 ARG 41 7.832 16.505 2.470 327 HH12 ARG 41 2HH1 ARG 41 8.999 17.571 3.073 328 HH21 ARG 41 1HH2 ARG 41 8.685 16.561 6.479 329 HH22 ARG 41 2HH2 ARG 41 9.506 17.584 5.397 330 H MET 42 H MET 42 9.835 13.196 1.530 331 HA MET 42 HA MET 42 10.020 16.053 1.769 332 HB2 MET 42 2HB MET 42 12.132 13.971 1.212 333 HB3 MET 42 1HB MET 42 12.477 15.679 1.384 334 HG2 MET 42 2HG MET 42 11.300 13.902 3.511 335 HG3 MET 42 1HG MET 42 12.988 14.379 3.393 336 HE1 MET 42 3HE MET 42 11.917 16.380 6.519 337 HE2 MET 42 1HE MET 42 13.121 15.309 5.801 338 HE3 MET 42 2HE MET 42 11.475 14.735 6.061 339 H ASN 43 H ASN 43 10.543 13.742 -0.841 340 HA ASN 43 HA ASN 43 11.418 15.898 -2.587 341 HB2 ASN 43 2HB ASN 43 12.603 13.648 -2.381 342 HB3 ASN 43 1HB ASN 43 11.235 12.946 -3.220 343 HD21 ASN 43 1HD2 ASN 43 14.066 14.896 -3.490 344 HD22 ASN 43 2HD2 ASN 43 14.107 14.956 -5.217 345 H TYR 44 H TYR 44 10.523 15.158 -5.059 346 HA TYR 44 HA TYR 44 7.677 15.729 -4.804 347 HB2 TYR 44 2HB TYR 44 9.618 16.227 -7.063 348 HB3 TYR 44 1HB TYR 44 7.883 16.481 -7.201 349 HD1 TYR 44 1HD TYR 44 6.792 18.279 -5.954 350 HD2 TYR 44 2HD TYR 44 11.012 17.763 -5.819 351 HE1 TYR 44 1HE TYR 44 7.029 20.542 -5.035 352 HE2 TYR 44 2HE TYR 44 11.262 20.032 -4.897 353 HH TYR 44 HH TYR 44 10.014 22.145 -4.820 354 H ILE 45 H ILE 45 9.418 13.109 -5.064 355 HA ILE 45 HA ILE 45 8.190 11.736 -7.296 356 HB ILE 45 HB ILE 45 9.262 9.698 -6.343 357 HG12 ILE 45 2HG1 ILE 45 10.308 11.613 -4.244 358 HG13 ILE 45 1HG1 ILE 45 9.129 10.341 -3.965 359 HG21 ILE 45 1HG2 ILE 45 10.462 11.044 -7.955 360 HG22 ILE 45 2HG2 ILE 45 11.585 10.406 -6.753 361 HG23 ILE 45 3HG2 ILE 45 11.066 12.090 -6.669 362 HD11 ILE 45 3HD1 ILE 45 11.348 9.705 -3.181 363 HD12 ILE 45 1HD1 ILE 45 11.996 9.932 -4.805 364 HD13 ILE 45 2HD1 ILE 45 10.818 8.656 -4.495 365 H ARG 46 H ARG 46 6.304 12.829 -5.760 366 HA ARG 46 HA ARG 46 5.234 10.917 -3.898 367 HB2 ARG 46 2HB ARG 46 4.192 13.609 -4.762 368 HB3 ARG 46 1HB ARG 46 3.452 12.597 -3.520 369 HG2 ARG 46 2HG ARG 46 5.520 12.667 -2.227 370 HG3 ARG 46 1HG ARG 46 6.254 13.680 -3.461 371 HD2 ARG 46 2HD ARG 46 3.839 14.401 -1.817 372 HD3 ARG 46 1HD ARG 46 5.483 14.932 -1.483 373 HE ARG 46 HE ARG 46 3.832 15.693 -3.771 374 HH11 ARG 46 1HH1 ARG 46 6.840 16.162 -1.954 375 HH12 ARG 46 2HH1 ARG 46 7.039 17.793 -2.321 376 HH21 ARG 46 1HH2 ARG 46 4.102 18.006 -4.369 377 HH22 ARG 46 2HH2 ARG 46 5.430 18.877 -3.757 378 H ILE 47 H ILE 47 3.256 10.004 -3.962 379 HA ILE 47 HA ILE 47 2.638 8.862 -6.476 380 HB ILE 47 HB ILE 47 1.947 8.316 -3.601 381 HG12 ILE 47 2HG1 ILE 47 2.957 6.073 -4.158 382 HG13 ILE 47 1HG1 ILE 47 3.408 6.765 -5.718 383 HG21 ILE 47 1HG2 ILE 47 -0.090 7.893 -4.776 384 HG22 ILE 47 2HG2 ILE 47 0.647 6.379 -4.241 385 HG23 ILE 47 3HG2 ILE 47 0.765 6.871 -5.933 386 HD11 ILE 47 3HD1 ILE 47 4.826 8.378 -4.553 387 HD12 ILE 47 1HD1 ILE 47 5.280 6.710 -4.196 388 HD13 ILE 47 2HD1 ILE 47 4.367 7.645 -3.015 389 H LEU 48 H LEU 48 0.807 9.100 -7.637 390 HA LEU 48 HA LEU 48 -1.213 10.924 -6.642 391 HB2 LEU 48 2HB LEU 48 0.116 10.813 -9.308 392 HB3 LEU 48 1HB LEU 48 -1.583 11.225 -9.252 393 HG LEU 48 HG LEU 48 -1.039 13.066 -7.705 394 HD11 LEU 48 1HD1 LEU 48 1.287 13.888 -7.584 395 HD12 LEU 48 2HD1 LEU 48 1.828 12.442 -8.437 396 HD13 LEU 48 3HD1 LEU 48 1.104 12.300 -6.836 397 HD21 LEU 48 3HD2 LEU 48 0.280 13.146 -10.410 398 HD22 LEU 48 1HD2 LEU 48 -0.138 14.562 -9.444 399 HD23 LEU 48 2HD2 LEU 48 -1.409 13.496 -10.046 400 HA PRO 49 HA PRO 49 -4.346 7.813 -6.973 401 HB2 PRO 49 2HB PRO 49 -5.686 9.977 -8.563 402 HB3 PRO 49 1HB PRO 49 -6.354 8.976 -7.254 403 HG2 PRO 49 2HG PRO 49 -5.647 11.461 -6.761 404 HG3 PRO 49 1HG PRO 49 -5.307 10.176 -5.586 405 HD2 PRO 49 2HD PRO 49 -3.432 11.620 -7.345 406 HD3 PRO 49 1HD PRO 49 -3.169 10.861 -5.764 407 H GLY 50 H GLY 50 -4.419 6.197 -8.392 408 HA2 GLY 50 2HA GLY 50 -4.787 5.322 -10.601 409 HA3 GLY 50 1HA GLY 50 -3.989 6.752 -11.246 410 H ASP 51 H ASP 51 -1.944 6.465 -8.957 411 HA ASP 51 HA ASP 51 0.007 4.915 -10.309 412 HB2 ASP 51 2HB ASP 51 -0.128 6.250 -7.658 413 HB3 ASP 51 1HB ASP 51 1.014 4.929 -7.817 414 H LYS 52 H LYS 52 0.770 2.942 -9.915 415 HA LYS 52 HA LYS 52 -0.771 1.210 -8.118 416 HB2 LYS 52 2HB LYS 52 -0.370 0.691 -10.668 417 HB3 LYS 52 1HB LYS 52 1.274 0.331 -10.171 418 HG2 LYS 52 2HG LYS 52 0.405 -1.391 -8.636 419 HG3 LYS 52 1HG LYS 52 -1.229 -1.043 -9.206 420 HD2 LYS 52 2HD LYS 52 -0.385 -1.562 -11.539 421 HD3 LYS 52 1HD LYS 52 1.080 -2.177 -10.775 422 HE2 LYS 52 2HE LYS 52 -1.737 -3.186 -10.393 423 HE3 LYS 52 1HE LYS 52 -0.425 -4.010 -11.225 424 HZ1 LYS 52 3HZ LYS 52 -0.774 -4.893 -9.049 425 HZ2 LYS 52 1HZ LYS 52 -0.595 -3.397 -8.343 426 HZ3 LYS 52 2HZ LYS 52 0.757 -4.107 -9.055 427 H VAL 53 H VAL 53 0.400 0.536 -6.305 428 HA VAL 53 HA VAL 53 3.220 1.369 -6.291 429 HB VAL 53 HB VAL 53 2.995 2.207 -3.978 430 HG11 VAL 53 1HG1 VAL 53 1.878 4.326 -4.551 431 HG12 VAL 53 2HG1 VAL 53 1.254 3.577 -6.021 432 HG13 VAL 53 3HG1 VAL 53 2.990 3.791 -5.811 433 HG21 VAL 53 3HG2 VAL 53 0.984 1.005 -3.302 434 HG22 VAL 53 1HG2 VAL 53 0.028 1.914 -4.473 435 HG23 VAL 53 2HG2 VAL 53 0.756 2.743 -3.096 436 H THR 54 H THR 54 4.563 0.449 -4.728 437 HA THR 54 HA THR 54 3.760 -2.211 -3.906 438 HB THR 54 HB THR 54 6.462 -0.865 -3.697 439 HG1 THR 54 1HG THR 54 5.295 -2.377 -5.819 440 HG21 THR 54 3HG2 THR 54 7.298 -3.184 -3.658 441 HG22 THR 54 1HG2 THR 54 5.642 -3.780 -3.769 442 HG23 THR 54 2HG2 THR 54 6.166 -2.894 -2.338 443 H VAL 55 H VAL 55 2.979 -2.366 -1.958 444 HA VAL 55 HA VAL 55 3.660 -0.361 0.043 445 HB VAL 55 HB VAL 55 1.290 -0.299 -0.710 446 HG11 VAL 55 1HG1 VAL 55 0.909 -2.641 -1.255 447 HG12 VAL 55 2HG1 VAL 55 -0.286 -2.069 -0.094 448 HG13 VAL 55 3HG1 VAL 55 1.039 -3.079 0.448 449 HG21 VAL 55 3HG2 VAL 55 1.688 -1.202 2.115 450 HG22 VAL 55 1HG2 VAL 55 0.275 -0.332 1.514 451 HG23 VAL 55 2HG2 VAL 55 1.862 0.444 1.505 452 H GLU 56 H GLU 56 4.662 -1.063 1.765 453 HA GLU 56 HA GLU 56 4.816 -3.933 2.166 454 HB2 GLU 56 2HB GLU 56 6.507 -1.700 3.267 455 HB3 GLU 56 1HB GLU 56 6.716 -3.402 3.668 456 HG2 GLU 56 2HG GLU 56 6.930 -3.843 1.287 457 HG3 GLU 56 1HG GLU 56 7.006 -2.118 0.984 458 H MET 57 H MET 57 3.921 -4.881 3.760 459 HA MET 57 HA MET 57 2.961 -3.350 6.013 460 HB2 MET 57 2HB MET 57 0.709 -4.570 5.771 461 HB3 MET 57 1HB MET 57 1.018 -3.130 4.800 462 HG2 MET 57 2HG MET 57 1.451 -4.534 2.882 463 HG3 MET 57 1HG MET 57 1.261 -5.982 3.872 464 HE1 MET 57 3HE MET 57 -2.249 -3.037 3.365 465 HE2 MET 57 1HE MET 57 -0.596 -2.633 2.890 466 HE3 MET 57 2HE MET 57 -1.006 -2.902 4.594 467 H SER 58 H SER 58 2.311 -4.562 7.773 468 HA SER 58 HA SER 58 3.920 -6.858 8.193 469 HB2 SER 58 2HB SER 58 1.747 -5.668 9.933 470 HB3 SER 58 1HB SER 58 3.087 -6.692 10.454 471 HG SER 58 HG SER 58 3.216 -4.220 10.611 472 HA PRO 59 HA PRO 59 0.845 -9.929 6.932 473 HB2 PRO 59 2HB PRO 59 1.853 -11.667 9.097 474 HB3 PRO 59 1HB PRO 59 1.901 -11.934 7.343 475 HG2 PRO 59 2HG PRO 59 4.118 -11.405 8.701 476 HG3 PRO 59 1HG PRO 59 3.853 -10.789 7.059 477 HD2 PRO 59 2HD PRO 59 3.639 -9.344 9.657 478 HD3 PRO 59 1HD PRO 59 4.305 -8.807 8.100 479 H TYR 60 H TYR 60 1.098 -8.726 10.062 480 HA TYR 60 HA TYR 60 -1.353 -9.967 11.052 481 HB2 TYR 60 2HB TYR 60 0.588 -9.950 12.545 482 HB3 TYR 60 1HB TYR 60 0.749 -8.216 12.375 483 HD1 TYR 60 2HD TYR 60 -1.564 -10.846 13.677 484 HD2 TYR 60 1HD TYR 60 -0.265 -6.799 13.946 485 HE1 TYR 60 2HE TYR 60 -2.949 -10.534 15.689 486 HE2 TYR 60 1HE TYR 60 -1.643 -6.481 15.954 487 HH TYR 60 HH TYR 60 -3.044 -9.063 17.653 488 H ASP 61 H ASP 61 -0.690 -7.444 9.072 489 HA ASP 61 HA ASP 61 -2.674 -5.729 10.386 490 HB2 ASP 61 2HB ASP 61 -0.307 -4.734 10.230 491 HB3 ASP 61 1HB ASP 61 -0.550 -4.671 8.501 492 H LEU 62 H LEU 62 -1.308 -5.619 7.130 493 HA LEU 62 HA LEU 62 -2.181 -5.382 5.118 494 HB2 LEU 62 2HB LEU 62 -3.817 -7.634 6.160 495 HB3 LEU 62 1HB LEU 62 -4.262 -6.933 4.618 496 HG LEU 62 HG LEU 62 -1.927 -7.387 3.816 497 HD11 LEU 62 1HD1 LEU 62 -0.578 -9.030 5.008 498 HD12 LEU 62 2HD1 LEU 62 -1.716 -8.991 6.353 499 HD13 LEU 62 3HD1 LEU 62 -0.788 -7.549 5.940 500 HD21 LEU 62 3HD2 LEU 62 -2.298 -9.786 3.464 501 HD22 LEU 62 1HD2 LEU 62 -3.766 -8.843 3.208 502 HD23 LEU 62 2HD2 LEU 62 -3.559 -9.765 4.697 503 H THR 63 H THR 63 -3.413 -3.670 7.274 504 HA THR 63 HA THR 63 -5.374 -2.664 5.405 505 HB THR 63 HB THR 63 -6.704 -3.553 7.175 506 HG1 THR 63 1HG THR 63 -6.586 -0.846 6.816 507 HG21 THR 63 3HG2 THR 63 -5.053 -3.662 8.962 508 HG22 THR 63 1HG2 THR 63 -6.512 -2.844 9.520 509 HG23 THR 63 2HG2 THR 63 -5.075 -1.907 9.111 510 H ARG 64 H ARG 64 -2.614 -2.063 7.254 511 HA ARG 64 HA ARG 64 -2.508 0.684 6.264 512 HB2 ARG 64 2HB ARG 64 -1.553 -0.506 8.849 513 HB3 ARG 64 1HB ARG 64 -0.740 0.883 8.190 514 HG2 ARG 64 2HG ARG 64 -2.243 1.714 9.808 515 HG3 ARG 64 1HG ARG 64 -3.027 2.025 8.262 516 HD2 ARG 64 2HD ARG 64 -4.593 1.166 9.936 517 HD3 ARG 64 1HD ARG 64 -4.433 0.082 8.553 518 HE ARG 64 HE ARG 64 -2.798 -1.178 10.038 519 HH11 ARG 64 1HH1 ARG 64 -5.587 0.531 11.376 520 HH12 ARG 64 2HH1 ARG 64 -5.716 -0.489 12.742 521 HH21 ARG 64 1HH2 ARG 64 -2.925 -2.468 11.741 522 HH22 ARG 64 2HH2 ARG 64 -4.095 -2.353 12.995 523 H GLY 65 H GLY 65 -0.531 1.198 5.320 524 HA2 GLY 65 2HA GLY 65 1.537 -0.845 5.354 525 HA3 GLY 65 1HA GLY 65 0.793 -0.498 3.799 526 H ARG 66 H ARG 66 3.370 -0.163 3.895 527 HA ARG 66 HA ARG 66 3.733 2.749 4.033 528 HB2 ARG 66 2HB ARG 66 4.842 1.364 5.877 529 HB3 ARG 66 1HB ARG 66 5.818 0.668 4.571 530 HG2 ARG 66 2HG ARG 66 5.767 3.640 4.842 531 HG3 ARG 66 1HG ARG 66 6.693 2.736 6.035 532 HD2 ARG 66 2HD ARG 66 6.972 2.408 3.077 533 HD3 ARG 66 1HD ARG 66 7.968 3.505 4.034 534 HE ARG 66 HE ARG 66 8.743 1.571 5.294 535 HH11 ARG 66 1HH1 ARG 66 7.086 0.720 2.232 536 HH12 ARG 66 2HH1 ARG 66 8.161 -0.580 1.976 537 HH21 ARG 66 1HH2 ARG 66 10.100 -0.393 4.809 538 HH22 ARG 66 2HH2 ARG 66 9.722 -1.195 3.336 539 H ILE 67 H ILE 67 4.388 3.609 2.145 540 HA ILE 67 HA ILE 67 5.047 1.795 -0.042 541 HB ILE 67 HB ILE 67 4.047 4.624 -0.019 542 HG12 ILE 67 2HG1 ILE 67 2.958 2.378 -1.533 543 HG13 ILE 67 1HG1 ILE 67 2.858 2.347 0.226 544 HG21 ILE 67 1HG2 ILE 67 4.922 3.023 -2.450 545 HG22 ILE 67 2HG2 ILE 67 5.734 4.464 -1.841 546 HG23 ILE 67 3HG2 ILE 67 4.097 4.583 -2.485 547 HD11 ILE 67 3HD1 ILE 67 1.862 4.532 -1.627 548 HD12 ILE 67 1HD1 ILE 67 1.734 4.532 0.134 549 HD13 ILE 67 2HD1 ILE 67 0.836 3.334 -0.810 550 H THR 68 H THR 68 6.784 1.555 -0.766 551 HA THR 68 HA THR 68 8.923 3.574 -0.494 552 HB THR 68 HB THR 68 10.391 1.456 -1.022 553 HG1 THR 68 1HG THR 68 9.354 -0.401 0.010 554 HG21 THR 68 3HG2 THR 68 10.451 2.882 0.973 555 HG22 THR 68 1HG2 THR 68 10.565 1.155 1.414 556 HG23 THR 68 2HG2 THR 68 9.013 2.009 1.528 557 H TYR 69 H TYR 69 7.106 1.764 -2.814 558 HA TYR 69 HA TYR 69 8.763 2.888 -4.925 559 HB2 TYR 69 2HB TYR 69 9.674 0.648 -4.416 560 HB3 TYR 69 1HB TYR 69 8.079 -0.039 -4.649 561 HD1 TYR 69 2HD TYR 69 10.598 1.999 -6.533 562 HD2 TYR 69 1HD TYR 69 7.641 -1.058 -6.680 563 HE1 TYR 69 2HE TYR 69 11.153 1.575 -8.895 564 HE2 TYR 69 1HE TYR 69 8.194 -1.490 -9.037 565 HH TYR 69 HH TYR 69 10.985 -0.208 -10.493 566 H ARG 70 H ARG 70 7.622 3.287 -6.772 567 HA ARG 70 HA ARG 70 4.785 2.627 -6.712 568 HB2 ARG 70 2HB ARG 70 4.379 4.565 -8.115 569 HB3 ARG 70 1HB ARG 70 5.384 5.101 -6.784 570 HG2 ARG 70 2HG ARG 70 7.341 4.725 -8.432 571 HG3 ARG 70 1HG ARG 70 6.082 4.747 -9.667 572 HD2 ARG 70 2HD ARG 70 6.756 6.920 -7.695 573 HD3 ARG 70 1HD ARG 70 7.008 6.953 -9.432 574 HE ARG 70 HE ARG 70 4.276 6.659 -9.135 575 HH11 ARG 70 1HH1 ARG 70 6.660 8.977 -7.894 576 HH12 ARG 70 2HH1 ARG 70 5.514 10.254 -7.836 577 HH21 ARG 70 1HH2 ARG 70 2.803 8.428 -9.047 578 HH22 ARG 70 2HH2 ARG 70 3.331 9.954 -8.507 579 H TYR 71 H TYR 71 3.987 1.581 -8.553 580 HA TYR 71 HA TYR 71 6.121 0.108 -9.845 581 HB2 TYR 71 2HB TYR 71 4.306 -1.034 -8.437 582 HB3 TYR 71 1HB TYR 71 3.207 -0.657 -9.759 583 HD1 TYR 71 2HD TYR 71 6.239 -2.509 -8.833 584 HD2 TYR 71 1HD TYR 71 3.221 -1.955 -11.774 585 HE1 TYR 71 2HE TYR 71 7.031 -4.507 -10.007 586 HE2 TYR 71 1HE TYR 71 4.010 -3.958 -12.963 587 HH TYR 71 HH TYR 71 6.024 -6.174 -11.582 588 H LYS 72 H LYS 72 6.034 -0.299 -11.981 589 HA LYS 72 HA LYS 72 4.468 1.554 -13.563 590 HB2 LYS 72 2HB LYS 72 6.243 1.868 -15.136 591 HB3 LYS 72 1HB LYS 72 6.938 2.079 -13.560 592 HG2 LYS 72 2HG LYS 72 7.285 -0.440 -15.224 593 HG3 LYS 72 1HG LYS 72 8.361 0.931 -15.322 594 HD2 LYS 72 2HD LYS 72 9.528 -0.545 -13.947 595 HD3 LYS 72 1HD LYS 72 8.746 0.490 -12.773 596 HE2 LYS 72 2HE LYS 72 8.773 -1.988 -12.303 597 HE3 LYS 72 1HE LYS 72 7.199 -1.272 -12.147 598 HZ1 LYS 72 3HZ LYS 72 8.164 -2.782 -14.550 599 HZ2 LYS 72 1HZ LYS 72 6.645 -2.094 -14.324 600 HZ3 LYS 72 2HZ LYS 72 7.087 -3.377 -13.362 Start of MODEL 6 1 H1 MET 1 1HT MET 1 10.106 -4.620 -3.019 2 H2 MET 1 2HT MET 1 10.190 -5.526 -1.574 3 H3 MET 1 3HT MET 1 8.772 -5.021 -2.097 4 HA MET 1 HA MET 1 8.727 -6.492 -3.948 5 HB2 MET 1 2HB MET 1 10.581 -8.027 -4.442 6 HB3 MET 1 1HB MET 1 11.125 -6.365 -4.556 7 HG2 MET 1 2HG MET 1 11.612 -8.161 -2.180 8 HG3 MET 1 1HG MET 1 12.759 -7.906 -3.491 9 HE1 MET 1 2HE MET 1 14.362 -5.975 -0.464 10 HE2 MET 1 3HE MET 1 14.619 -7.210 -1.695 11 HE3 MET 1 1HE MET 1 13.451 -7.483 -0.403 12 H ALA 2 H ALA 2 8.940 -9.134 -3.656 13 HA ALA 2 HA ALA 2 7.504 -9.626 -1.247 14 HB1 ALA 2 1HB ALA 2 8.614 -11.562 -3.287 15 HB2 ALA 2 2HB ALA 2 7.008 -10.836 -3.329 16 HB3 ALA 2 3HB ALA 2 7.438 -11.950 -2.031 17 H LYS 3 H LYS 3 8.276 -10.266 0.680 18 HA LYS 3 HA LYS 3 10.642 -11.761 0.957 19 HB2 LYS 3 2HB LYS 3 11.732 -10.106 2.522 20 HB3 LYS 3 1HB LYS 3 11.763 -9.643 0.832 21 HG2 LYS 3 2HG LYS 3 9.873 -8.110 1.253 22 HG3 LYS 3 1HG LYS 3 9.936 -8.548 2.965 23 HD2 LYS 3 2HD LYS 3 12.245 -7.748 3.088 24 HD3 LYS 3 1HD LYS 3 12.194 -7.315 1.381 25 HE2 LYS 3 2HE LYS 3 11.874 -5.359 2.789 26 HE3 LYS 3 1HE LYS 3 10.422 -5.698 1.852 27 HZ1 LYS 3 3HZ LYS 3 9.431 -6.692 3.798 28 HZ2 LYS 3 1HZ LYS 3 9.953 -5.111 4.125 29 HZ3 LYS 3 2HZ LYS 3 10.841 -6.477 4.682 30 H GLN 4 H GLN 4 10.962 -12.279 3.337 31 HA GLN 4 HA GLN 4 8.251 -12.879 4.271 32 HB2 GLN 4 2HB GLN 4 10.838 -14.307 4.828 33 HB3 GLN 4 1HB GLN 4 9.284 -14.755 5.509 34 HG2 GLN 4 2HG GLN 4 10.010 -14.754 2.586 35 HG3 GLN 4 1HG GLN 4 9.851 -16.171 3.622 36 HE21 GLN 4 1HE2 GLN 4 7.775 -16.799 4.296 37 HE22 GLN 4 2HE2 GLN 4 6.364 -16.230 3.464 38 H ASP 5 H ASP 5 10.705 -10.808 5.143 39 HA ASP 5 HA ASP 5 10.432 -11.028 7.988 40 HB2 ASP 5 2HB ASP 5 11.646 -8.762 7.932 41 HB3 ASP 5 1HB ASP 5 12.520 -10.120 7.233 42 H VAL 6 H VAL 6 9.788 -8.189 6.205 43 HA VAL 6 HA VAL 6 7.069 -8.167 7.330 44 HB VAL 6 HB VAL 6 8.430 -5.757 6.075 45 HG11 VAL 6 1HG1 VAL 6 6.024 -5.634 6.347 46 HG12 VAL 6 2HG1 VAL 6 6.824 -4.487 7.421 47 HG13 VAL 6 3HG1 VAL 6 6.181 -5.997 8.064 48 HG21 VAL 6 3HG2 VAL 6 8.505 -6.470 9.006 49 HG22 VAL 6 1HG2 VAL 6 9.043 -4.942 8.304 50 HG23 VAL 6 2HG2 VAL 6 9.888 -6.442 7.906 51 H ILE 7 H ILE 7 5.382 -7.844 5.683 52 HA ILE 7 HA ILE 7 6.422 -8.931 3.198 53 HB ILE 7 HB ILE 7 3.608 -9.096 4.323 54 HG12 ILE 7 2HG1 ILE 7 4.395 -11.657 4.432 55 HG13 ILE 7 1HG1 ILE 7 5.970 -10.856 4.530 56 HG21 ILE 7 1HG2 ILE 7 3.219 -10.808 2.626 57 HG22 ILE 7 2HG2 ILE 7 4.828 -10.516 1.961 58 HG23 ILE 7 3HG2 ILE 7 3.604 -9.246 1.901 59 HD11 ILE 7 3HD1 ILE 7 5.319 -9.698 6.517 60 HD12 ILE 7 1HD1 ILE 7 5.099 -11.437 6.717 61 HD13 ILE 7 2HD1 ILE 7 3.703 -10.398 6.425 62 H GLU 8 H GLU 8 6.166 -7.953 1.371 63 HA GLU 8 HA GLU 8 4.676 -5.462 1.313 64 HB2 GLU 8 2HB GLU 8 6.864 -6.512 -0.476 65 HB3 GLU 8 1HB GLU 8 5.985 -5.020 -0.753 66 HG2 GLU 8 2HG GLU 8 6.857 -4.097 1.311 67 HG3 GLU 8 1HG GLU 8 7.712 -5.606 1.648 68 H LEU 9 H LEU 9 3.016 -5.262 0.136 69 HA LEU 9 HA LEU 9 2.254 -7.248 -1.900 70 HB2 LEU 9 2HB LEU 9 0.368 -5.698 -0.086 71 HB3 LEU 9 1HB LEU 9 -0.092 -6.804 -1.359 72 HG LEU 9 HG LEU 9 1.208 -7.544 1.271 73 HD11 LEU 9 1HD1 LEU 9 -1.132 -6.959 1.449 74 HD12 LEU 9 2HD1 LEU 9 -0.903 -8.695 1.670 75 HD13 LEU 9 3HD1 LEU 9 -1.526 -8.073 0.141 76 HD21 LEU 9 3HD2 LEU 9 0.373 -9.294 -1.054 77 HD22 LEU 9 1HD2 LEU 9 0.921 -9.874 0.522 78 HD23 LEU 9 2HD2 LEU 9 2.029 -8.995 -0.531 79 H GLU 10 H GLU 10 0.770 -6.166 -3.490 80 HA GLU 10 HA GLU 10 1.812 -3.461 -3.859 81 HB2 GLU 10 2HB GLU 10 0.815 -5.421 -5.893 82 HB3 GLU 10 1HB GLU 10 1.344 -3.786 -6.218 83 HG2 GLU 10 2HG GLU 10 3.588 -4.401 -5.423 84 HG3 GLU 10 1HG GLU 10 3.022 -6.065 -5.242 85 H GLY 11 H GLY 11 0.296 -2.024 -5.052 86 HA2 GLY 11 2HA GLY 11 -2.375 -2.834 -5.397 87 HA3 GLY 11 1HA GLY 11 -2.241 -1.924 -3.911 88 H THR 12 H THR 12 -3.817 -1.079 -5.782 89 HA THR 12 HA THR 12 -2.407 1.006 -7.297 90 HB THR 12 HB THR 12 -5.318 0.391 -7.436 91 HG1 THR 12 1HG THR 12 -4.702 -1.521 -7.848 92 HG21 THR 12 3HG2 THR 12 -5.033 1.129 -9.768 93 HG22 THR 12 1HG2 THR 12 -3.290 1.263 -9.513 94 HG23 THR 12 2HG2 THR 12 -4.382 2.330 -8.644 95 H VAL 13 H VAL 13 -2.564 3.042 -6.638 96 HA VAL 13 HA VAL 13 -4.234 3.428 -4.331 97 HB VAL 13 HB VAL 13 -2.050 4.290 -3.939 98 HG11 VAL 13 1HG1 VAL 13 -1.332 4.529 -6.153 99 HG12 VAL 13 2HG1 VAL 13 -1.058 6.014 -5.226 100 HG13 VAL 13 3HG1 VAL 13 -2.393 5.934 -6.400 101 HG21 VAL 13 3HG2 VAL 13 -2.468 6.638 -3.383 102 HG22 VAL 13 1HG2 VAL 13 -3.865 5.633 -2.984 103 HG23 VAL 13 2HG2 VAL 13 -3.894 6.627 -4.429 104 H LEU 14 H LEU 14 -5.998 4.381 -4.216 105 HA LEU 14 HA LEU 14 -7.104 5.418 -6.711 106 HB2 LEU 14 2HB LEU 14 -8.512 4.383 -4.261 107 HB3 LEU 14 1HB LEU 14 -9.285 4.906 -5.742 108 HG LEU 14 HG LEU 14 -7.474 2.508 -5.441 109 HD11 LEU 14 1HD1 LEU 14 -9.502 1.212 -5.860 110 HD12 LEU 14 2HD1 LEU 14 -10.449 2.700 -5.871 111 HD13 LEU 14 3HD1 LEU 14 -9.636 2.181 -4.393 112 HD21 LEU 14 3HD2 LEU 14 -9.004 3.509 -7.849 113 HD22 LEU 14 1HD2 LEU 14 -8.147 1.970 -7.746 114 HD23 LEU 14 2HD2 LEU 14 -7.249 3.482 -7.661 115 H ASP 15 H ASP 15 -6.524 6.240 -3.326 116 HA ASP 15 HA ASP 15 -7.631 8.873 -3.870 117 HB2 ASP 15 2HB ASP 15 -9.450 7.754 -2.906 118 HB3 ASP 15 1HB ASP 15 -8.412 7.047 -1.652 119 H THR 16 H THR 16 -7.137 10.361 -2.284 120 HA THR 16 HA THR 16 -4.364 10.065 -1.285 121 HB THR 16 HB THR 16 -4.115 12.512 -1.769 122 HG1 THR 16 1HG THR 16 -6.663 12.468 -1.997 123 HG21 THR 16 3HG2 THR 16 -3.912 12.215 -4.208 124 HG22 THR 16 1HG2 THR 16 -4.911 10.768 -4.053 125 HG23 THR 16 2HG2 THR 16 -3.299 10.802 -3.324 126 H LEU 17 H LEU 17 -4.088 10.468 0.861 127 HA LEU 17 HA LEU 17 -6.295 11.782 2.238 128 HB2 LEU 17 2HB LEU 17 -4.137 10.002 3.350 129 HB3 LEU 17 1HB LEU 17 -5.489 10.637 4.261 130 HG LEU 17 HG LEU 17 -5.523 8.417 2.179 131 HD11 LEU 17 1HD1 LEU 17 -4.824 7.711 4.317 132 HD12 LEU 17 2HD1 LEU 17 -6.450 7.124 3.972 133 HD13 LEU 17 3HD1 LEU 17 -6.220 8.482 5.073 134 HD21 LEU 17 3HD2 LEU 17 -7.954 8.318 2.513 135 HD22 LEU 17 1HD2 LEU 17 -7.489 9.866 1.805 136 HD23 LEU 17 2HD2 LEU 17 -7.881 9.762 3.521 137 HA PRO 18 HA PRO 18 -3.563 15.173 3.030 138 HB2 PRO 18 2HB PRO 18 -4.335 15.918 5.556 139 HB3 PRO 18 1HB PRO 18 -5.270 16.300 4.096 140 HG2 PRO 18 2HG PRO 18 -5.701 14.121 6.069 141 HG3 PRO 18 1HG PRO 18 -6.889 15.159 5.256 142 HD2 PRO 18 2HD PRO 18 -6.445 12.642 4.447 143 HD3 PRO 18 1HD PRO 18 -6.835 13.943 3.304 144 H ASN 19 H ASN 19 -1.667 15.704 4.019 145 HA ASN 19 HA ASN 19 0.194 15.689 5.289 146 HB2 ASN 19 2HB ASN 19 -1.465 15.604 7.220 147 HB3 ASN 19 1HB ASN 19 -1.230 13.863 7.247 148 HD21 ASN 19 1HD2 ASN 19 -0.437 13.947 9.364 149 HD22 ASN 19 2HD2 ASN 19 1.135 14.553 9.737 150 H ALA 20 H ALA 20 -0.304 13.692 3.246 151 HA ALA 20 HA ALA 20 1.034 12.292 2.085 152 HB1 ALA 20 1HB ALA 20 2.820 12.014 4.495 153 HB2 ALA 20 2HB ALA 20 2.989 13.250 3.250 154 HB3 ALA 20 3HB ALA 20 3.200 11.548 2.837 155 H MET 21 H MET 21 -1.102 11.506 4.009 156 HA MET 21 HA MET 21 -0.580 8.649 4.150 157 HB2 MET 21 2HB MET 21 -2.692 10.476 5.183 158 HB3 MET 21 1HB MET 21 -3.235 8.897 4.653 159 HG2 MET 21 2HG MET 21 -2.880 8.899 6.984 160 HG3 MET 21 1HG MET 21 -1.717 7.836 6.187 161 HE1 MET 21 3HE MET 21 -1.794 11.767 6.713 162 HE2 MET 21 1HE MET 21 -0.823 11.904 8.179 163 HE3 MET 21 2HE MET 21 -2.377 11.071 8.225 164 H PHE 22 H PHE 22 -1.683 7.194 2.765 165 HA PHE 22 HA PHE 22 -3.288 8.451 0.691 166 HB2 PHE 22 2HB PHE 22 -0.941 6.614 0.178 167 HB3 PHE 22 1HB PHE 22 -2.191 6.923 -1.022 168 HD1 PHE 22 2HD PHE 22 -2.419 9.130 -2.031 169 HD2 PHE 22 1HD PHE 22 0.697 8.279 0.723 170 HE1 PHE 22 2HE PHE 22 -1.247 11.180 -2.729 171 HE2 PHE 22 1HE PHE 22 1.875 10.329 0.033 172 HZ PHE 22 HZ PHE 22 0.899 11.781 -1.695 173 H LYS 23 H LYS 23 -4.794 7.085 -0.315 174 HA LYS 23 HA LYS 23 -5.242 4.737 1.323 175 HB2 LYS 23 2HB LYS 23 -6.940 6.621 1.547 176 HB3 LYS 23 1HB LYS 23 -7.393 6.293 -0.118 177 HG2 LYS 23 2HG LYS 23 -8.291 4.207 0.405 178 HG3 LYS 23 1HG LYS 23 -7.435 4.116 1.943 179 HD2 LYS 23 2HD LYS 23 -9.724 4.565 2.439 180 HD3 LYS 23 1HD LYS 23 -8.831 6.051 2.732 181 HE2 LYS 23 2HE LYS 23 -10.871 6.601 1.615 182 HE3 LYS 23 1HE LYS 23 -9.550 6.830 0.472 183 HZ1 LYS 23 3HZ LYS 23 -10.088 4.680 -0.516 184 HZ2 LYS 23 1HZ LYS 23 -11.474 5.646 -0.506 185 HZ3 LYS 23 2HZ LYS 23 -11.222 4.387 0.621 186 H VAL 24 H VAL 24 -4.687 3.182 0.379 187 HA VAL 24 HA VAL 24 -4.614 3.021 -2.606 188 HB VAL 24 HB VAL 24 -2.801 1.535 -0.681 189 HG11 VAL 24 1HG1 VAL 24 -2.497 2.027 -3.607 190 HG12 VAL 24 2HG1 VAL 24 -2.921 0.510 -2.821 191 HG13 VAL 24 3HG1 VAL 24 -1.328 1.220 -2.561 192 HG21 VAL 24 3HG2 VAL 24 -2.241 4.193 -1.990 193 HG22 VAL 24 1HG2 VAL 24 -1.022 3.171 -1.219 194 HG23 VAL 24 2HG2 VAL 24 -2.343 3.841 -0.272 195 H GLU 25 H GLU 25 -5.166 1.063 -3.563 196 HA GLU 25 HA GLU 25 -6.658 -0.707 -1.844 197 HB2 GLU 25 2HB GLU 25 -8.264 -0.291 -3.385 198 HB3 GLU 25 1HB GLU 25 -7.119 0.443 -4.483 199 HG2 GLU 25 2HG GLU 25 -7.147 -2.505 -4.284 200 HG3 GLU 25 1HG GLU 25 -8.514 -1.740 -5.098 201 H LEU 26 H LEU 26 -6.003 -2.727 -1.600 202 HA LEU 26 HA LEU 26 -3.590 -3.682 -2.955 203 HB2 LEU 26 2HB LEU 26 -5.581 -5.097 -1.166 204 HB3 LEU 26 1HB LEU 26 -4.147 -5.848 -1.817 205 HG LEU 26 HG LEU 26 -4.163 -3.543 0.125 206 HD11 LEU 26 1HD1 LEU 26 -3.615 -6.487 0.521 207 HD12 LEU 26 2HD1 LEU 26 -5.027 -5.610 1.113 208 HD13 LEU 26 3HD1 LEU 26 -3.425 -5.231 1.745 209 HD21 LEU 26 3HD2 LEU 26 -2.175 -3.566 -1.278 210 HD22 LEU 26 1HD2 LEU 26 -1.942 -5.281 -0.940 211 HD23 LEU 26 2HD2 LEU 26 -1.776 -4.102 0.354 212 H GLU 27 H GLU 27 -3.637 -5.607 -4.400 213 HA GLU 27 HA GLU 27 -5.832 -5.542 -6.177 214 HB2 GLU 27 2HB GLU 27 -4.816 -7.637 -7.257 215 HB3 GLU 27 1HB GLU 27 -3.849 -6.178 -7.261 216 HG2 GLU 27 2HG GLU 27 -3.458 -8.276 -5.155 217 HG3 GLU 27 1HG GLU 27 -2.667 -8.430 -6.722 218 H ASN 28 H ASN 28 -5.684 -6.879 -3.295 219 HA ASN 28 HA ASN 28 -7.451 -9.146 -3.575 220 HB2 ASN 28 2HB ASN 28 -5.925 -8.884 -1.645 221 HB3 ASN 28 1HB ASN 28 -6.762 -7.417 -1.177 222 HD21 ASN 28 1HD2 ASN 28 -8.308 -10.448 -2.237 223 HD22 ASN 28 2HD2 ASN 28 -9.047 -10.755 -0.709 224 H GLY 29 H GLY 29 -7.885 -5.777 -3.873 225 HA2 GLY 29 2HA GLY 29 -9.864 -4.684 -4.419 226 HA3 GLY 29 1HA GLY 29 -10.778 -6.064 -3.822 227 H HIS 30 H HIS 30 -8.538 -5.369 -1.594 228 HA HIS 30 HA HIS 30 -10.466 -4.012 0.170 229 HB2 HIS 30 2HB HIS 30 -8.841 -6.096 0.703 230 HB3 HIS 30 1HB HIS 30 -7.748 -4.712 0.878 231 HD1 HIS 30 1HD HIS 30 -8.303 -2.919 2.856 232 HD2 HIS 30 2HD HIS 30 -10.413 -6.520 2.973 233 HE1 HIS 30 1HE HIS 30 -9.179 -3.095 5.147 234 HE2 HIS 30 2HE HIS 30 -10.153 -5.386 5.289 235 H GLU 31 H GLU 31 -10.009 -1.895 0.865 236 HA GLU 31 HA GLU 31 -7.620 -0.775 -0.252 237 HB2 GLU 31 2HB GLU 31 -8.554 1.458 0.219 238 HB3 GLU 31 1HB GLU 31 -9.584 0.484 -0.813 239 HG2 GLU 31 2HG GLU 31 -11.115 0.094 0.989 240 HG3 GLU 31 1HG GLU 31 -10.034 0.918 2.123 241 H ILE 32 H ILE 32 -6.282 0.442 0.920 242 HA ILE 32 HA ILE 32 -6.103 -0.367 3.720 243 HB ILE 32 HB ILE 32 -3.631 -0.698 3.263 244 HG12 ILE 32 2HG1 ILE 32 -4.541 -0.827 0.407 245 HG13 ILE 32 1HG1 ILE 32 -3.765 0.607 1.111 246 HG21 ILE 32 1HG2 ILE 32 -5.493 -2.491 1.700 247 HG22 ILE 32 2HG2 ILE 32 -5.256 -2.549 3.435 248 HG23 ILE 32 3HG2 ILE 32 -3.912 -2.942 2.356 249 HD11 ILE 32 3HD1 ILE 32 -2.550 -2.140 0.855 250 HD12 ILE 32 1HD1 ILE 32 -1.763 -0.731 1.561 251 HD13 ILE 32 2HD1 ILE 32 -2.173 -0.743 -0.156 252 H LEU 33 H LEU 33 -4.818 1.090 4.981 253 HA LEU 33 HA LEU 33 -4.647 3.738 3.752 254 HB2 LEU 33 2HB LEU 33 -4.571 2.860 6.642 255 HB3 LEU 33 1HB LEU 33 -4.592 4.522 6.070 256 HG LEU 33 HG LEU 33 -6.800 2.577 5.481 257 HD11 LEU 33 1HD1 LEU 33 -6.633 2.868 7.916 258 HD12 LEU 33 2HD1 LEU 33 -8.071 3.651 7.267 259 HD13 LEU 33 3HD1 LEU 33 -6.665 4.624 7.711 260 HD21 LEU 33 3HD2 LEU 33 -6.674 5.577 5.395 261 HD22 LEU 33 1HD2 LEU 33 -8.092 4.598 5.029 262 HD23 LEU 33 2HD2 LEU 33 -6.662 4.494 4.000 263 H ALA 34 H ALA 34 -2.682 4.441 3.265 264 HA ALA 34 HA ALA 34 -0.454 2.991 4.470 265 HB1 ALA 34 1HB ALA 34 0.640 2.855 2.341 266 HB2 ALA 34 2HB ALA 34 -0.690 3.723 1.571 267 HB3 ALA 34 3HB ALA 34 -0.959 2.116 2.249 268 H HIS 35 H HIS 35 1.583 4.002 4.351 269 HA HIS 35 HA HIS 35 1.522 6.934 4.325 270 HB2 HIS 35 2HB HIS 35 3.009 4.911 5.968 271 HB3 HIS 35 1HB HIS 35 3.558 6.565 5.806 272 HD1 HIS 35 1HD HIS 35 0.778 4.492 7.244 273 HD2 HIS 35 2HD HIS 35 2.218 8.378 7.373 274 HE1 HIS 35 1HE HIS 35 -0.496 5.627 9.105 275 HE2 HIS 35 2HE HIS 35 0.136 8.059 8.782 276 H VAL 36 H VAL 36 3.150 7.845 3.053 277 HA VAL 36 HA VAL 36 4.669 5.971 1.492 278 HB VAL 36 HB VAL 36 5.634 7.984 0.350 279 HG11 VAL 36 1HG1 VAL 36 3.762 6.804 -0.595 280 HG12 VAL 36 2HG1 VAL 36 3.550 8.539 -0.847 281 HG13 VAL 36 3HG1 VAL 36 2.648 7.710 0.422 282 HG21 VAL 36 3HG2 VAL 36 4.525 10.156 0.685 283 HG22 VAL 36 1HG2 VAL 36 5.366 9.620 2.140 284 HG23 VAL 36 2HG2 VAL 36 3.612 9.472 2.030 285 H SER 37 H SER 37 6.848 5.758 1.409 286 HA SER 37 HA SER 37 8.253 6.024 3.842 287 HB2 SER 37 2HB SER 37 10.189 5.209 2.605 288 HB3 SER 37 1HB SER 37 8.764 4.273 2.152 289 HG SER 37 HG SER 37 8.729 5.187 0.233 290 H GLY 38 H GLY 38 10.263 7.234 4.111 291 HA2 GLY 38 2HA GLY 38 10.055 9.950 3.744 292 HA3 GLY 38 1HA GLY 38 11.556 9.103 4.069 293 H LYS 39 H LYS 39 10.994 7.622 1.319 294 HA LYS 39 HA LYS 39 12.777 9.184 -0.262 295 HB2 LYS 39 2HB LYS 39 10.745 7.159 -1.219 296 HB3 LYS 39 1HB LYS 39 12.184 7.674 -2.067 297 HG2 LYS 39 2HG LYS 39 13.574 6.504 -0.457 298 HG3 LYS 39 1HG LYS 39 12.143 6.073 0.489 299 HD2 LYS 39 2HD LYS 39 11.232 4.885 -1.491 300 HD3 LYS 39 1HD LYS 39 12.720 5.241 -2.360 301 HE2 LYS 39 2HE LYS 39 13.986 3.931 -0.732 302 HE3 LYS 39 1HE LYS 39 12.505 3.608 0.170 303 HZ1 LYS 39 3HZ LYS 39 13.043 2.750 -2.627 304 HZ2 LYS 39 1HZ LYS 39 11.618 2.440 -1.777 305 HZ3 LYS 39 2HZ LYS 39 13.067 1.741 -1.273 306 H ILE 40 H ILE 40 9.341 8.604 -0.247 307 HA ILE 40 HA ILE 40 8.827 10.433 -2.437 308 HB ILE 40 HB ILE 40 7.038 8.523 -0.917 309 HG12 ILE 40 2HG1 ILE 40 8.288 8.276 -3.658 310 HG13 ILE 40 1HG1 ILE 40 8.820 7.426 -2.214 311 HG21 ILE 40 1HG2 ILE 40 5.743 10.356 -1.897 312 HG22 ILE 40 2HG2 ILE 40 5.444 8.830 -2.739 313 HG23 ILE 40 3HG2 ILE 40 6.506 10.038 -3.460 314 HD11 ILE 40 3HD1 ILE 40 7.511 5.991 -3.662 315 HD12 ILE 40 1HD1 ILE 40 6.163 7.125 -3.581 316 HD13 ILE 40 2HD1 ILE 40 6.675 6.260 -2.131 317 H ARG 41 H ARG 41 8.575 10.219 0.973 318 HA ARG 41 HA ARG 41 6.534 12.159 1.395 319 HB2 ARG 41 2HB ARG 41 7.796 10.322 2.951 320 HB3 ARG 41 1HB ARG 41 8.619 11.783 3.464 321 HG2 ARG 41 2HG ARG 41 5.635 11.359 3.527 322 HG3 ARG 41 1HG ARG 41 6.717 11.172 4.897 323 HD2 ARG 41 2HD ARG 41 7.257 13.541 4.819 324 HD3 ARG 41 1HD ARG 41 6.273 13.736 3.363 325 HE ARG 41 HE ARG 41 4.631 12.591 5.202 326 HH11 ARG 41 1HH1 ARG 41 6.439 15.623 5.134 327 HH12 ARG 41 2HH1 ARG 41 5.296 16.499 6.047 328 HH21 ARG 41 1HH2 ARG 41 3.022 13.776 6.404 329 HH22 ARG 41 2HH2 ARG 41 3.246 15.381 6.806 330 H MET 42 H MET 42 10.117 12.269 1.501 331 HA MET 42 HA MET 42 10.150 15.088 2.036 332 HB2 MET 42 2HB MET 42 12.372 13.194 1.283 333 HB3 MET 42 1HB MET 42 12.611 14.881 1.704 334 HG2 MET 42 2HG MET 42 11.734 14.457 3.937 335 HG3 MET 42 1HG MET 42 11.455 12.769 3.511 336 HE1 MET 42 3HE MET 42 13.128 13.696 6.078 337 HE2 MET 42 1HE MET 42 14.483 12.569 6.003 338 HE3 MET 42 2HE MET 42 12.849 12.006 5.655 339 H ASN 43 H ASN 43 10.787 13.053 -0.783 340 HA ASN 43 HA ASN 43 11.562 15.354 -2.369 341 HB2 ASN 43 2HB ASN 43 12.596 12.960 -2.464 342 HB3 ASN 43 1HB ASN 43 11.163 12.535 -3.380 343 HD21 ASN 43 1HD2 ASN 43 13.965 12.465 -4.155 344 HD22 ASN 43 2HD2 ASN 43 14.104 13.472 -5.553 345 H TYR 44 H TYR 44 10.508 15.236 -4.714 346 HA TYR 44 HA TYR 44 7.672 15.611 -4.205 347 HB2 TYR 44 2HB TYR 44 9.531 16.748 -6.251 348 HB3 TYR 44 1HB TYR 44 7.779 16.909 -6.407 349 HD1 TYR 44 1HD TYR 44 10.748 17.963 -4.520 350 HD2 TYR 44 2HD TYR 44 6.519 18.270 -4.841 351 HE1 TYR 44 1HE TYR 44 10.773 19.886 -2.982 352 HE2 TYR 44 2HE TYR 44 6.533 20.190 -3.315 353 HH TYR 44 HH TYR 44 9.351 21.830 -2.440 354 H ILE 45 H ILE 45 9.155 13.077 -4.976 355 HA ILE 45 HA ILE 45 7.826 12.271 -7.446 356 HB ILE 45 HB ILE 45 8.833 10.027 -6.974 357 HG12 ILE 45 2HG1 ILE 45 9.994 11.394 -4.525 358 HG13 ILE 45 1HG1 ILE 45 8.758 10.146 -4.513 359 HG21 ILE 45 1HG2 ILE 45 11.183 10.698 -7.271 360 HG22 ILE 45 2HG2 ILE 45 10.760 12.343 -6.797 361 HG23 ILE 45 3HG2 ILE 45 10.088 11.652 -8.273 362 HD11 ILE 45 3HD1 ILE 45 11.599 9.809 -5.461 363 HD12 ILE 45 1HD1 ILE 45 10.362 8.551 -5.447 364 HD13 ILE 45 2HD1 ILE 45 10.937 9.239 -3.929 365 H ARG 46 H ARG 46 6.135 13.190 -5.654 366 HA ARG 46 HA ARG 46 5.052 11.359 -3.796 367 HB2 ARG 46 2HB ARG 46 4.055 14.063 -4.685 368 HB3 ARG 46 1HB ARG 46 3.423 13.154 -3.306 369 HG2 ARG 46 2HG ARG 46 5.595 13.171 -2.243 370 HG3 ARG 46 1HG ARG 46 6.300 13.969 -3.634 371 HD2 ARG 46 2HD ARG 46 4.849 15.939 -3.150 372 HD3 ARG 46 1HD ARG 46 4.307 15.117 -1.679 373 HE ARG 46 HE ARG 46 7.051 15.029 -1.640 374 HH11 ARG 46 1HH1 ARG 46 4.633 17.603 -1.527 375 HH12 ARG 46 2HH1 ARG 46 5.635 18.723 -0.718 376 HH21 ARG 46 1HH2 ARG 46 8.454 16.548 -0.536 377 HH22 ARG 46 2HH2 ARG 46 7.896 18.094 -0.138 378 H ILE 47 H ILE 47 2.881 10.693 -3.641 379 HA ILE 47 HA ILE 47 2.384 9.119 -5.987 380 HB ILE 47 HB ILE 47 1.218 9.036 -3.201 381 HG12 ILE 47 2HG1 ILE 47 3.576 8.461 -3.266 382 HG13 ILE 47 1HG1 ILE 47 2.607 7.045 -2.891 383 HG21 ILE 47 1HG2 ILE 47 0.870 7.060 -5.434 384 HG22 ILE 47 2HG2 ILE 47 -0.370 8.122 -4.770 385 HG23 ILE 47 3HG2 ILE 47 0.327 6.842 -3.769 386 HD11 ILE 47 3HD1 ILE 47 4.368 6.428 -4.406 387 HD12 ILE 47 1HD1 ILE 47 3.898 7.703 -5.534 388 HD13 ILE 47 2HD1 ILE 47 2.827 6.336 -5.252 389 H LEU 48 H LEU 48 0.708 9.191 -7.273 390 HA LEU 48 HA LEU 48 -1.489 11.049 -6.763 391 HB2 LEU 48 2HB LEU 48 0.157 11.817 -8.512 392 HB3 LEU 48 1HB LEU 48 -0.160 10.342 -9.396 393 HG LEU 48 HG LEU 48 -2.555 11.089 -9.586 394 HD11 LEU 48 1HD1 LEU 48 -1.420 13.711 -8.624 395 HD12 LEU 48 2HD1 LEU 48 -2.567 12.704 -7.750 396 HD13 LEU 48 3HD1 LEU 48 -3.040 13.460 -9.272 397 HD21 LEU 48 3HD2 LEU 48 -0.433 12.838 -10.827 398 HD22 LEU 48 1HD2 LEU 48 -2.087 12.662 -11.412 399 HD23 LEU 48 2HD2 LEU 48 -0.991 11.281 -11.441 400 HA PRO 49 HA PRO 49 -3.981 7.269 -7.103 401 HB2 PRO 49 2HB PRO 49 -5.775 9.117 -8.625 402 HB3 PRO 49 1HB PRO 49 -6.183 7.982 -7.318 403 HG2 PRO 49 2HG PRO 49 -6.039 10.520 -6.783 404 HG3 PRO 49 1HG PRO 49 -5.334 9.332 -5.663 405 HD2 PRO 49 2HD PRO 49 -3.958 11.151 -7.591 406 HD3 PRO 49 1HD PRO 49 -3.450 10.629 -5.971 407 H GLY 50 H GLY 50 -4.208 5.699 -8.560 408 HA2 GLY 50 2HA GLY 50 -4.618 4.884 -10.786 409 HA3 GLY 50 1HA GLY 50 -3.836 6.331 -11.414 410 H ASP 51 H ASP 51 -1.819 5.903 -9.151 411 HA ASP 51 HA ASP 51 0.064 4.349 -10.726 412 HB2 ASP 51 2HB ASP 51 0.280 6.399 -8.766 413 HB3 ASP 51 1HB ASP 51 0.936 4.903 -8.083 414 H LYS 52 H LYS 52 1.142 2.517 -9.875 415 HA LYS 52 HA LYS 52 -0.412 1.092 -7.828 416 HB2 LYS 52 2HB LYS 52 -0.397 0.084 -10.238 417 HB3 LYS 52 1HB LYS 52 1.286 -0.308 -9.920 418 HG2 LYS 52 2HG LYS 52 0.632 -1.727 -8.041 419 HG3 LYS 52 1HG LYS 52 -1.057 -1.283 -8.268 420 HD2 LYS 52 2HD LYS 52 -0.856 -2.260 -10.608 421 HD3 LYS 52 1HD LYS 52 0.702 -2.910 -10.107 422 HE2 LYS 52 2HE LYS 52 -1.976 -3.523 -8.819 423 HE3 LYS 52 1HE LYS 52 -1.098 -4.586 -9.909 424 HZ1 LYS 52 3HZ LYS 52 -0.188 -3.709 -7.223 425 HZ2 LYS 52 1HZ LYS 52 0.691 -4.735 -8.208 426 HZ3 LYS 52 2HZ LYS 52 -0.780 -5.211 -7.542 427 H VAL 53 H VAL 53 0.683 0.578 -6.080 428 HA VAL 53 HA VAL 53 3.555 1.175 -6.127 429 HB VAL 53 HB VAL 53 3.344 2.078 -3.845 430 HG11 VAL 53 1HG1 VAL 53 2.220 4.182 -4.417 431 HG12 VAL 53 2HG1 VAL 53 1.514 3.408 -5.837 432 HG13 VAL 53 3HG1 VAL 53 3.259 3.620 -5.727 433 HG21 VAL 53 3HG2 VAL 53 0.371 1.734 -4.265 434 HG22 VAL 53 1HG2 VAL 53 1.119 2.591 -2.918 435 HG23 VAL 53 2HG2 VAL 53 1.367 0.854 -3.107 436 H THR 54 H THR 54 4.790 0.200 -4.451 437 HA THR 54 HA THR 54 3.857 -2.445 -3.690 438 HB THR 54 HB THR 54 6.598 -1.269 -3.168 439 HG1 THR 54 1HG THR 54 6.116 -2.707 -5.563 440 HG21 THR 54 3HG2 THR 54 7.289 -3.610 -3.432 441 HG22 THR 54 1HG2 THR 54 5.628 -4.061 -3.822 442 HG23 THR 54 2HG2 THR 54 6.024 -3.459 -2.213 443 H VAL 55 H VAL 55 3.199 -2.710 -1.591 444 HA VAL 55 HA VAL 55 3.807 -0.561 0.289 445 HB VAL 55 HB VAL 55 1.439 -0.510 -0.455 446 HG11 VAL 55 1HG1 VAL 55 1.009 -2.835 -0.923 447 HG12 VAL 55 2HG1 VAL 55 -0.158 -2.238 0.258 448 HG13 VAL 55 3HG1 VAL 55 1.180 -3.246 0.780 449 HG21 VAL 55 3HG2 VAL 55 1.804 -1.289 2.419 450 HG22 VAL 55 1HG2 VAL 55 0.394 -0.456 1.764 451 HG23 VAL 55 2HG2 VAL 55 1.974 0.329 1.736 452 H GLU 56 H GLU 56 4.787 -1.129 2.058 453 HA GLU 56 HA GLU 56 5.101 -3.962 2.667 454 HB2 GLU 56 2HB GLU 56 7.171 -2.573 2.627 455 HB3 GLU 56 1HB GLU 56 6.480 -1.533 3.863 456 HG2 GLU 56 2HG GLU 56 6.495 -3.246 5.456 457 HG3 GLU 56 1HG GLU 56 6.939 -4.468 4.262 458 H MET 57 H MET 57 4.107 -4.860 4.315 459 HA MET 57 HA MET 57 2.833 -3.178 6.281 460 HB2 MET 57 2HB MET 57 0.696 -4.551 5.928 461 HB3 MET 57 1HB MET 57 1.038 -3.214 4.834 462 HG2 MET 57 2HG MET 57 1.789 -4.813 3.170 463 HG3 MET 57 1HG MET 57 1.548 -6.126 4.327 464 HE1 MET 57 3HE MET 57 -1.939 -3.577 2.693 465 HE2 MET 57 1HE MET 57 -0.249 -3.232 2.345 466 HE3 MET 57 2HE MET 57 -0.879 -3.020 3.981 467 H SER 58 H SER 58 2.170 -4.209 8.141 468 HA SER 58 HA SER 58 3.785 -6.311 8.936 469 HB2 SER 58 2HB SER 58 2.064 -5.814 10.929 470 HB3 SER 58 1HB SER 58 3.417 -4.738 10.510 471 HG SER 58 HG SER 58 0.849 -4.094 10.502 472 HA PRO 59 HA PRO 59 1.066 -9.684 7.840 473 HB2 PRO 59 2HB PRO 59 1.848 -11.164 10.245 474 HB3 PRO 59 1HB PRO 59 2.241 -11.498 8.545 475 HG2 PRO 59 2HG PRO 59 4.100 -10.676 10.306 476 HG3 PRO 59 1HG PRO 59 4.158 -10.313 8.579 477 HD2 PRO 59 2HD PRO 59 3.376 -8.537 10.828 478 HD3 PRO 59 1HD PRO 59 4.265 -8.175 9.333 479 H TYR 60 H TYR 60 0.766 -8.048 10.766 480 HA TYR 60 HA TYR 60 -1.621 -9.465 11.643 481 HB2 TYR 60 2HB TYR 60 0.065 -8.792 13.316 482 HB3 TYR 60 1HB TYR 60 -0.121 -7.115 12.838 483 HD1 TYR 60 2HD TYR 60 -1.946 -9.983 14.346 484 HD2 TYR 60 1HD TYR 60 -1.728 -5.757 13.895 485 HE1 TYR 60 2HE TYR 60 -3.701 -9.714 16.050 486 HE2 TYR 60 1HE TYR 60 -3.479 -5.478 15.595 487 HH TYR 60 HH TYR 60 -5.318 -6.787 16.550 488 H ASP 61 H ASP 61 -0.816 -6.964 9.552 489 HA ASP 61 HA ASP 61 -3.294 -5.512 10.079 490 HB2 ASP 61 2HB ASP 61 -0.749 -4.648 8.750 491 HB3 ASP 61 1HB ASP 61 -2.254 -3.798 8.452 492 H LEU 62 H LEU 62 -1.439 -5.710 7.117 493 HA LEU 62 HA LEU 62 -2.050 -5.734 4.987 494 HB2 LEU 62 2HB LEU 62 -3.654 -8.048 6.012 495 HB3 LEU 62 1HB LEU 62 -3.837 -7.550 4.343 496 HG LEU 62 HG LEU 62 -1.371 -7.867 4.045 497 HD11 LEU 62 1HD1 LEU 62 -0.156 -9.255 5.651 498 HD12 LEU 62 2HD1 LEU 62 -1.535 -9.188 6.749 499 HD13 LEU 62 3HD1 LEU 62 -0.649 -7.715 6.356 500 HD21 LEU 62 3HD2 LEU 62 -1.492 -10.317 3.912 501 HD22 LEU 62 1HD2 LEU 62 -2.946 -9.542 3.283 502 HD23 LEU 62 2HD2 LEU 62 -2.965 -10.286 4.883 503 H THR 63 H THR 63 -3.783 -4.259 6.981 504 HA THR 63 HA THR 63 -5.700 -3.426 4.962 505 HB THR 63 HB THR 63 -6.808 -4.418 6.939 506 HG1 THR 63 1HG THR 63 -7.159 -1.631 6.552 507 HG21 THR 63 3HG2 THR 63 -5.567 -2.114 8.468 508 HG22 THR 63 1HG2 THR 63 -5.167 -3.818 8.672 509 HG23 THR 63 2HG2 THR 63 -6.771 -3.231 9.110 510 H ARG 64 H ARG 64 -2.821 -2.655 6.360 511 HA ARG 64 HA ARG 64 -3.010 0.152 5.850 512 HB2 ARG 64 2HB ARG 64 -3.811 -0.238 8.118 513 HB3 ARG 64 1HB ARG 64 -2.368 -1.154 8.471 514 HG2 ARG 64 2HG ARG 64 -1.033 0.774 8.450 515 HG3 ARG 64 1HG ARG 64 -2.339 1.749 7.745 516 HD2 ARG 64 2HD ARG 64 -2.293 2.154 10.130 517 HD3 ARG 64 1HD ARG 64 -3.706 1.226 9.548 518 HE ARG 64 HE ARG 64 -2.219 -0.806 10.328 519 HH11 ARG 64 1HH1 ARG 64 -2.797 2.141 12.202 520 HH12 ARG 64 2HH1 ARG 64 -2.583 1.345 13.701 521 HH21 ARG 64 1HH2 ARG 64 -1.962 -1.807 12.167 522 HH22 ARG 64 2HH2 ARG 64 -2.054 -1.074 13.715 523 H GLY 65 H GLY 65 -0.796 0.933 5.481 524 HA2 GLY 65 2HA GLY 65 1.447 -0.831 5.959 525 HA3 GLY 65 1HA GLY 65 0.935 -0.819 4.296 526 H ARG 66 H ARG 66 3.153 -0.073 3.978 527 HA ARG 66 HA ARG 66 3.368 2.875 3.967 528 HB2 ARG 66 2HB ARG 66 4.714 1.898 5.804 529 HB3 ARG 66 1HB ARG 66 5.538 0.880 4.634 530 HG2 ARG 66 2HG ARG 66 5.951 3.344 3.565 531 HG3 ARG 66 1HG ARG 66 5.944 3.715 5.291 532 HD2 ARG 66 2HD ARG 66 7.622 1.667 3.878 533 HD3 ARG 66 1HD ARG 66 8.208 3.179 4.592 534 HE ARG 66 HE ARG 66 7.376 2.114 6.746 535 HH11 ARG 66 1HH1 ARG 66 8.810 0.284 4.011 536 HH12 ARG 66 2HH1 ARG 66 9.103 -1.072 5.014 537 HH21 ARG 66 1HH2 ARG 66 7.931 0.086 8.025 538 HH22 ARG 66 2HH2 ARG 66 8.624 -1.185 7.090 539 H ILE 67 H ILE 67 4.111 3.603 1.940 540 HA ILE 67 HA ILE 67 4.485 1.658 -0.152 541 HB ILE 67 HB ILE 67 4.577 4.679 -0.201 542 HG12 ILE 67 2HG1 ILE 67 2.619 4.247 -1.845 543 HG13 ILE 67 1HG1 ILE 67 2.690 2.618 -1.161 544 HG21 ILE 67 1HG2 ILE 67 4.732 4.566 -2.672 545 HG22 ILE 67 2HG2 ILE 67 4.971 2.821 -2.553 546 HG23 ILE 67 3HG2 ILE 67 6.167 3.920 -1.874 547 HD11 ILE 67 3HD1 ILE 67 2.203 5.147 0.394 548 HD12 ILE 67 1HD1 ILE 67 2.244 3.508 1.039 549 HD13 ILE 67 2HD1 ILE 67 0.969 3.978 -0.089 550 H THR 68 H THR 68 6.250 0.820 -0.805 551 HA THR 68 HA THR 68 8.803 1.886 0.180 552 HB THR 68 HB THR 68 9.615 -0.424 -0.544 553 HG1 THR 68 1HG THR 68 7.928 -1.971 -0.808 554 HG21 THR 68 3HG2 THR 68 7.477 -0.260 1.595 555 HG22 THR 68 1HG2 THR 68 9.172 0.174 1.812 556 HG23 THR 68 2HG2 THR 68 8.727 -1.498 1.476 557 H TYR 69 H TYR 69 6.996 1.251 -2.745 558 HA TYR 69 HA TYR 69 8.894 2.593 -4.422 559 HB2 TYR 69 2HB TYR 69 9.802 0.300 -4.211 560 HB3 TYR 69 1HB TYR 69 8.277 -0.345 -4.767 561 HD1 TYR 69 1HD TYR 69 10.988 1.970 -5.910 562 HD2 TYR 69 2HD TYR 69 7.994 -0.839 -7.025 563 HE1 TYR 69 1HE TYR 69 11.755 2.085 -8.247 564 HE2 TYR 69 2HE TYR 69 8.750 -0.730 -9.359 565 HH TYR 69 HH TYR 69 9.944 0.840 -10.820 566 H ARG 70 H ARG 70 7.910 2.882 -6.616 567 HA ARG 70 HA ARG 70 5.094 2.187 -6.772 568 HB2 ARG 70 2HB ARG 70 4.546 4.363 -7.736 569 HB3 ARG 70 1HB ARG 70 5.211 4.578 -6.124 570 HG2 ARG 70 2HG ARG 70 7.387 5.158 -7.161 571 HG3 ARG 70 1HG ARG 70 6.621 5.039 -8.744 572 HD2 ARG 70 2HD ARG 70 5.826 6.932 -6.533 573 HD3 ARG 70 1HD ARG 70 6.771 7.357 -7.951 574 HE ARG 70 HE ARG 70 4.297 6.228 -8.760 575 HH11 ARG 70 1HH1 ARG 70 5.523 9.145 -7.141 576 HH12 ARG 70 2HH1 ARG 70 4.331 10.171 -7.739 577 HH21 ARG 70 1HH2 ARG 70 2.688 7.686 -9.710 578 HH22 ARG 70 2HH2 ARG 70 2.691 9.340 -9.295 579 H TYR 71 H TYR 71 4.436 1.571 -8.788 580 HA TYR 71 HA TYR 71 6.602 1.014 -10.652 581 HB2 TYR 71 2HB TYR 71 3.733 0.078 -10.612 582 HB3 TYR 71 1HB TYR 71 4.965 -0.470 -11.748 583 HD1 TYR 71 1HD TYR 71 7.026 -1.646 -10.752 584 HD2 TYR 71 2HD TYR 71 3.427 -1.003 -8.590 585 HE1 TYR 71 1HE TYR 71 7.670 -3.412 -9.164 586 HE2 TYR 71 2HE TYR 71 4.056 -2.751 -7.005 587 HH TYR 71 HH TYR 71 5.539 -4.848 -7.190 588 H LYS 72 H LYS 72 6.438 1.596 -12.869 589 HA LYS 72 HA LYS 72 4.644 3.826 -13.362 590 HB2 LYS 72 2HB LYS 72 7.504 3.401 -14.149 591 HB3 LYS 72 1HB LYS 72 6.458 4.512 -15.010 592 HG2 LYS 72 2HG LYS 72 6.920 4.732 -12.047 593 HG3 LYS 72 1HG LYS 72 8.004 5.471 -13.220 594 HD2 LYS 72 2HD LYS 72 6.630 7.266 -12.934 595 HD3 LYS 72 1HD LYS 72 5.664 6.434 -14.133 596 HE2 LYS 72 2HE LYS 72 5.236 6.218 -11.143 597 HE3 LYS 72 1HE LYS 72 4.402 7.365 -12.168 598 HZ1 LYS 72 3HZ LYS 72 4.039 4.430 -11.986 599 HZ2 LYS 72 1HZ LYS 72 3.492 5.271 -13.374 600 HZ3 LYS 72 2HZ LYS 72 2.974 5.667 -11.821 Start of MODEL 7 1 H1 MET 1 1HT MET 1 9.551 -12.629 1.641 2 H2 MET 1 2HT MET 1 9.859 -11.045 1.901 3 H3 MET 1 3HT MET 1 10.462 -12.253 2.999 4 HA MET 1 HA MET 1 11.297 -11.794 0.208 5 HB2 MET 1 2HB MET 1 12.841 -11.718 2.815 6 HB3 MET 1 1HB MET 1 13.542 -11.505 1.218 7 HG2 MET 1 2HG MET 1 12.215 -9.477 0.903 8 HG3 MET 1 1HG MET 1 11.498 -9.700 2.496 9 HE1 MET 1 2HE MET 1 13.818 -6.596 3.040 10 HE2 MET 1 3HE MET 1 12.182 -7.238 3.191 11 HE3 MET 1 1HE MET 1 12.885 -6.984 1.594 12 H ALA 2 H ALA 2 11.946 -13.810 3.124 13 HA ALA 2 HA ALA 2 12.754 -16.020 1.355 14 HB1 ALA 2 1HB ALA 2 13.414 -17.138 3.468 15 HB2 ALA 2 2HB ALA 2 12.792 -15.763 4.379 16 HB3 ALA 2 3HB ALA 2 14.184 -15.559 3.315 17 H LYS 3 H LYS 3 10.450 -14.954 3.627 18 HA LYS 3 HA LYS 3 8.419 -16.867 2.708 19 HB2 LYS 3 2HB LYS 3 8.867 -15.868 5.561 20 HB3 LYS 3 1HB LYS 3 7.552 -16.902 5.040 21 HG2 LYS 3 2HG LYS 3 9.110 -18.717 4.620 22 HG3 LYS 3 1HG LYS 3 10.465 -17.675 5.036 23 HD2 LYS 3 2HD LYS 3 8.238 -18.261 6.985 24 HD3 LYS 3 1HD LYS 3 9.625 -19.327 6.820 25 HE2 LYS 3 2HE LYS 3 9.971 -17.837 8.704 26 HE3 LYS 3 1HE LYS 3 11.113 -17.433 7.435 27 HZ1 LYS 3 3HZ LYS 3 9.981 -15.468 6.953 28 HZ2 LYS 3 1HZ LYS 3 10.041 -15.522 8.601 29 HZ3 LYS 3 2HZ LYS 3 8.583 -15.875 7.809 30 H GLN 4 H GLN 4 6.290 -15.439 3.991 31 HA GLN 4 HA GLN 4 7.073 -12.788 3.239 32 HB2 GLN 4 2HB GLN 4 4.300 -13.756 3.997 33 HB3 GLN 4 1HB GLN 4 4.705 -12.082 3.621 34 HG2 GLN 4 2HG GLN 4 5.690 -13.173 1.436 35 HG3 GLN 4 1HG GLN 4 4.501 -14.416 1.816 36 HE21 GLN 4 1HE2 GLN 4 5.035 -11.147 0.849 37 HE22 GLN 4 2HE2 GLN 4 3.405 -10.804 0.385 38 H ASP 5 H ASP 5 8.478 -12.406 4.538 39 HA ASP 5 HA ASP 5 8.341 -12.636 7.421 40 HB2 ASP 5 2HB ASP 5 10.400 -11.073 5.842 41 HB3 ASP 5 1HB ASP 5 10.619 -11.924 7.367 42 H VAL 6 H VAL 6 7.978 -10.417 4.964 43 HA VAL 6 HA VAL 6 6.715 -8.374 6.581 44 HB VAL 6 HB VAL 6 8.571 -7.873 4.186 45 HG11 VAL 6 1HG1 VAL 6 8.336 -5.490 4.737 46 HG12 VAL 6 2HG1 VAL 6 7.241 -5.911 6.054 47 HG13 VAL 6 3HG1 VAL 6 6.780 -6.244 4.386 48 HG21 VAL 6 3HG2 VAL 6 9.969 -8.485 6.086 49 HG22 VAL 6 1HG2 VAL 6 9.170 -7.266 7.079 50 HG23 VAL 6 2HG2 VAL 6 10.157 -6.771 5.703 51 H ILE 7 H ILE 7 5.093 -7.436 5.021 52 HA ILE 7 HA ILE 7 4.461 -9.569 3.115 53 HB ILE 7 HB ILE 7 2.666 -7.350 4.110 54 HG12 ILE 7 2HG1 ILE 7 3.277 -8.809 5.973 55 HG13 ILE 7 1HG1 ILE 7 1.590 -9.014 5.536 56 HG21 ILE 7 1HG2 ILE 7 2.012 -8.239 1.963 57 HG22 ILE 7 2HG2 ILE 7 0.850 -8.738 3.198 58 HG23 ILE 7 3HG2 ILE 7 2.051 -9.884 2.599 59 HD11 ILE 7 3HD1 ILE 7 2.572 -11.158 6.043 60 HD12 ILE 7 1HD1 ILE 7 3.871 -10.856 4.891 61 HD13 ILE 7 2HD1 ILE 7 2.219 -11.083 4.316 62 H GLU 8 H GLU 8 5.072 -9.162 1.142 63 HA GLU 8 HA GLU 8 5.274 -6.418 0.226 64 HB2 GLU 8 2HB GLU 8 6.125 -8.946 -1.215 65 HB3 GLU 8 1HB GLU 8 6.637 -7.304 -1.548 66 HG2 GLU 8 2HG GLU 8 8.517 -8.149 -0.516 67 HG3 GLU 8 1HG GLU 8 7.671 -7.451 0.859 68 H LEU 9 H LEU 9 3.505 -5.671 -0.805 69 HA LEU 9 HA LEU 9 2.096 -7.384 -2.677 70 HB2 LEU 9 2HB LEU 9 0.760 -5.924 -0.394 71 HB3 LEU 9 1HB LEU 9 -0.103 -6.441 -1.823 72 HG LEU 9 HG LEU 9 1.289 -8.290 0.118 73 HD11 LEU 9 1HD1 LEU 9 -0.665 -7.197 1.112 74 HD12 LEU 9 2HD1 LEU 9 -0.967 -8.909 0.820 75 HD13 LEU 9 3HD1 LEU 9 -1.645 -7.698 -0.269 76 HD21 LEU 9 3HD2 LEU 9 1.197 -9.221 -2.132 77 HD22 LEU 9 1HD2 LEU 9 -0.530 -8.860 -2.225 78 HD23 LEU 9 2HD2 LEU 9 0.063 -10.055 -1.073 79 H GLU 10 H GLU 10 0.689 -6.097 -4.065 80 HA GLU 10 HA GLU 10 1.774 -3.398 -4.429 81 HB2 GLU 10 2HB GLU 10 2.407 -4.902 -6.208 82 HB3 GLU 10 1HB GLU 10 0.747 -5.445 -6.401 83 HG2 GLU 10 2HG GLU 10 1.011 -3.922 -8.175 84 HG3 GLU 10 1HG GLU 10 0.251 -3.073 -6.803 85 H GLY 11 H GLY 11 0.230 -1.770 -5.005 86 HA2 GLY 11 2HA GLY 11 -2.517 -2.606 -5.092 87 HA3 GLY 11 1HA GLY 11 -2.104 -1.483 -3.796 88 H THR 12 H THR 12 -3.907 -0.505 -5.294 89 HA THR 12 HA THR 12 -2.550 1.337 -7.144 90 HB THR 12 HB THR 12 -5.414 0.363 -7.307 91 HG1 THR 12 1HG THR 12 -4.142 -1.433 -7.853 92 HG21 THR 12 3HG2 THR 12 -5.354 1.376 -9.541 93 HG22 THR 12 1HG2 THR 12 -3.654 1.808 -9.304 94 HG23 THR 12 2HG2 THR 12 -4.888 2.567 -8.316 95 H VAL 13 H VAL 13 -2.829 3.436 -6.535 96 HA VAL 13 HA VAL 13 -4.465 3.831 -4.176 97 HB VAL 13 HB VAL 13 -2.266 4.622 -3.801 98 HG11 VAL 13 1HG1 VAL 13 -1.527 4.773 -5.991 99 HG12 VAL 13 2HG1 VAL 13 -1.179 6.273 -5.123 100 HG13 VAL 13 3HG1 VAL 13 -2.512 6.214 -6.304 101 HG21 VAL 13 3HG2 VAL 13 -2.546 7.014 -3.330 102 HG22 VAL 13 1HG2 VAL 13 -3.970 6.092 -2.838 103 HG23 VAL 13 2HG2 VAL 13 -4.011 7.028 -4.320 104 H LEU 14 H LEU 14 -6.188 5.029 -3.921 105 HA LEU 14 HA LEU 14 -7.268 6.153 -6.386 106 HB2 LEU 14 2HB LEU 14 -8.659 5.187 -3.894 107 HB3 LEU 14 1HB LEU 14 -9.471 6.117 -5.127 108 HG LEU 14 HG LEU 14 -8.922 4.264 -6.754 109 HD11 LEU 14 1HD1 LEU 14 -7.098 3.205 -5.573 110 HD12 LEU 14 2HD1 LEU 14 -8.410 2.061 -5.860 111 HD13 LEU 14 3HD1 LEU 14 -8.187 2.769 -4.257 112 HD21 LEU 14 3HD2 LEU 14 -10.642 3.578 -4.379 113 HD22 LEU 14 1HD2 LEU 14 -10.717 2.802 -5.960 114 HD23 LEU 14 2HD2 LEU 14 -11.132 4.507 -5.796 115 H ASP 15 H ASP 15 -6.596 6.980 -3.005 116 HA ASP 15 HA ASP 15 -7.456 9.738 -3.667 117 HB2 ASP 15 2HB ASP 15 -7.861 8.345 -1.051 118 HB3 ASP 15 1HB ASP 15 -8.242 10.024 -1.365 119 H THR 16 H THR 16 -6.515 11.388 -2.508 120 HA THR 16 HA THR 16 -3.864 10.883 -1.411 121 HB THR 16 HB THR 16 -3.805 13.441 -1.578 122 HG1 THR 16 1HG THR 16 -6.143 13.537 -1.731 123 HG21 THR 16 3HG2 THR 16 -3.463 13.429 -4.029 124 HG22 THR 16 1HG2 THR 16 -4.243 11.849 -4.096 125 HG23 THR 16 2HG2 THR 16 -2.703 12.043 -3.243 126 H LEU 17 H LEU 17 -3.848 10.730 0.827 127 HA LEU 17 HA LEU 17 -6.082 11.964 2.215 128 HB2 LEU 17 2HB LEU 17 -4.204 9.796 3.090 129 HB3 LEU 17 1HB LEU 17 -5.501 10.430 4.090 130 HG LEU 17 HG LEU 17 -5.675 8.627 1.654 131 HD11 LEU 17 1HD1 LEU 17 -6.640 8.381 4.460 132 HD12 LEU 17 2HD1 LEU 17 -5.278 7.539 3.712 133 HD13 LEU 17 3HD1 LEU 17 -6.927 7.244 3.146 134 HD21 LEU 17 3HD2 LEU 17 -7.954 10.094 3.010 135 HD22 LEU 17 1HD2 LEU 17 -8.115 8.838 1.781 136 HD23 LEU 17 2HD2 LEU 17 -7.383 10.385 1.367 137 HA PRO 18 HA PRO 18 -3.557 15.057 4.143 138 HB2 PRO 18 2HB PRO 18 -4.821 14.212 6.704 139 HB3 PRO 18 1HB PRO 18 -4.745 15.828 5.971 140 HG2 PRO 18 2HG PRO 18 -7.000 14.484 5.929 141 HG3 PRO 18 1HG PRO 18 -6.476 15.426 4.518 142 HD2 PRO 18 2HD PRO 18 -6.420 12.476 4.922 143 HD3 PRO 18 1HD PRO 18 -6.766 13.423 3.460 144 H ASN 19 H ASN 19 -1.743 15.302 5.368 145 HA ASN 19 HA ASN 19 0.149 14.865 6.522 146 HB2 ASN 19 2HB ASN 19 -1.451 14.014 8.328 147 HB3 ASN 19 1HB ASN 19 -1.213 12.402 7.668 148 HD21 ASN 19 1HD2 ASN 19 -0.374 11.692 9.646 149 HD22 ASN 19 2HD2 ASN 19 1.213 12.108 10.179 150 H ALA 20 H ALA 20 -0.560 13.649 3.953 151 HA ALA 20 HA ALA 20 0.480 12.547 2.277 152 HB1 ALA 20 1HB ALA 20 2.778 12.155 4.208 153 HB2 ALA 20 2HB ALA 20 2.567 13.550 3.148 154 HB3 ALA 20 3HB ALA 20 2.847 11.950 2.457 155 H MET 21 H MET 21 -1.315 11.241 3.915 156 HA MET 21 HA MET 21 -0.378 8.458 3.932 157 HB2 MET 21 2HB MET 21 -1.973 9.725 5.793 158 HB3 MET 21 1HB MET 21 -3.136 9.263 4.546 159 HG2 MET 21 2HG MET 21 -3.122 7.722 6.339 160 HG3 MET 21 1HG MET 21 -2.665 6.959 4.806 161 HE1 MET 21 3HE MET 21 -1.780 4.828 6.160 162 HE2 MET 21 1HE MET 21 -2.275 5.594 7.670 163 HE3 MET 21 2HE MET 21 -0.648 4.931 7.508 164 H PHE 22 H PHE 22 -1.818 7.057 2.664 165 HA PHE 22 HA PHE 22 -3.363 8.476 0.637 166 HB2 PHE 22 2HB PHE 22 -1.073 6.599 0.049 167 HB3 PHE 22 1HB PHE 22 -2.352 6.896 -1.120 168 HD1 PHE 22 2HD PHE 22 0.385 8.508 0.786 169 HD2 PHE 22 1HD PHE 22 -2.366 8.860 -2.435 170 HE1 PHE 22 2HE PHE 22 1.567 10.512 -0.005 171 HE2 PHE 22 1HE PHE 22 -1.176 10.853 -3.228 172 HZ PHE 22 HZ PHE 22 0.783 11.687 -2.012 173 H LYS 23 H LYS 23 -5.021 7.314 -0.282 174 HA LYS 23 HA LYS 23 -5.660 4.912 1.234 175 HB2 LYS 23 2HB LYS 23 -7.376 6.803 1.005 176 HB3 LYS 23 1HB LYS 23 -7.479 6.342 -0.695 177 HG2 LYS 23 2HG LYS 23 -8.092 4.066 -0.032 178 HG3 LYS 23 1HG LYS 23 -8.069 4.570 1.654 179 HD2 LYS 23 2HD LYS 23 -9.814 6.257 1.089 180 HD3 LYS 23 1HD LYS 23 -9.905 5.539 -0.523 181 HE2 LYS 23 2HE LYS 23 -10.460 4.175 2.105 182 HE3 LYS 23 1HE LYS 23 -11.636 4.597 0.863 183 HZ1 LYS 23 3HZ LYS 23 -10.530 2.961 -0.641 184 HZ2 LYS 23 1HZ LYS 23 -11.000 2.233 0.800 185 HZ3 LYS 23 2HZ LYS 23 -9.412 2.642 0.488 186 H VAL 24 H VAL 24 -4.881 3.255 0.357 187 HA VAL 24 HA VAL 24 -4.776 3.106 -2.566 188 HB VAL 24 HB VAL 24 -2.954 1.607 -0.680 189 HG11 VAL 24 1HG1 VAL 24 -2.699 2.094 -3.604 190 HG12 VAL 24 2HG1 VAL 24 -3.111 0.580 -2.802 191 HG13 VAL 24 3HG1 VAL 24 -1.511 1.290 -2.577 192 HG21 VAL 24 3HG2 VAL 24 -1.171 3.261 -1.290 193 HG22 VAL 24 1HG2 VAL 24 -2.452 3.890 -0.249 194 HG23 VAL 24 2HG2 VAL 24 -2.458 4.283 -1.950 195 H GLU 25 H GLU 25 -5.839 1.460 -3.494 196 HA GLU 25 HA GLU 25 -6.833 -0.569 -1.677 197 HB2 GLU 25 2HB GLU 25 -7.943 0.632 -4.130 198 HB3 GLU 25 1HB GLU 25 -8.102 -1.111 -4.028 199 HG2 GLU 25 2HG GLU 25 -10.095 -0.121 -3.164 200 HG3 GLU 25 1HG GLU 25 -9.199 -0.857 -1.845 201 H LEU 26 H LEU 26 -5.992 -2.394 -1.695 202 HA LEU 26 HA LEU 26 -3.813 -3.147 -3.382 203 HB2 LEU 26 2HB LEU 26 -5.547 -4.806 -1.557 204 HB3 LEU 26 1HB LEU 26 -4.180 -5.452 -2.430 205 HG LEU 26 HG LEU 26 -4.022 -3.296 -0.320 206 HD11 LEU 26 1HD1 LEU 26 -3.004 -5.054 1.051 207 HD12 LEU 26 2HD1 LEU 26 -3.314 -6.231 -0.225 208 HD13 LEU 26 3HD1 LEU 26 -4.661 -5.469 0.618 209 HD21 LEU 26 3HD2 LEU 26 -1.607 -3.778 -0.445 210 HD22 LEU 26 1HD2 LEU 26 -2.237 -3.107 -1.951 211 HD23 LEU 26 2HD2 LEU 26 -1.912 -4.833 -1.821 212 H GLU 27 H GLU 27 -3.768 -4.910 -4.868 213 HA GLU 27 HA GLU 27 -5.796 -4.979 -6.816 214 HB2 GLU 27 2HB GLU 27 -3.840 -7.233 -6.367 215 HB3 GLU 27 1HB GLU 27 -4.464 -6.625 -7.889 216 HG2 GLU 27 2HG GLU 27 -2.480 -5.209 -6.097 217 HG3 GLU 27 1HG GLU 27 -2.107 -6.068 -7.577 218 H ASN 28 H ASN 28 -5.589 -6.371 -3.854 219 HA ASN 28 HA ASN 28 -7.168 -8.795 -4.086 220 HB2 ASN 28 2HB ASN 28 -5.433 -8.571 -2.380 221 HB3 ASN 28 1HB ASN 28 -6.197 -7.133 -1.743 222 HD21 ASN 28 1HD2 ASN 28 -7.811 -10.199 -2.588 223 HD22 ASN 28 2HD2 ASN 28 -8.294 -10.563 -0.980 224 H GLY 29 H GLY 29 -7.946 -5.451 -4.127 225 HA2 GLY 29 2HA GLY 29 -10.045 -4.434 -4.017 226 HA3 GLY 29 1HA GLY 29 -10.739 -5.977 -3.520 227 H HIS 30 H HIS 30 -8.039 -5.118 -1.873 228 HA HIS 30 HA HIS 30 -9.461 -4.832 0.690 229 HB2 HIS 30 2HB HIS 30 -7.215 -6.228 -0.014 230 HB3 HIS 30 1HB HIS 30 -6.611 -4.605 0.361 231 HD1 HIS 30 1HD HIS 30 -7.353 -7.751 1.896 232 HD2 HIS 30 2HD HIS 30 -7.032 -3.795 3.123 233 HE1 HIS 30 1HE HIS 30 -6.956 -7.845 4.382 234 HE2 HIS 30 2HE HIS 30 -6.207 -5.519 4.842 235 H GLU 31 H GLU 31 -9.368 -2.823 1.760 236 HA GLU 31 HA GLU 31 -8.132 -0.684 0.247 237 HB2 GLU 31 2HB GLU 31 -9.631 0.810 1.322 238 HB3 GLU 31 1HB GLU 31 -10.610 -0.597 0.980 239 HG2 GLU 31 2HG GLU 31 -11.302 -0.248 3.128 240 HG3 GLU 31 1HG GLU 31 -9.820 -1.163 3.474 241 H ILE 32 H ILE 32 -6.451 0.367 1.096 242 HA ILE 32 HA ILE 32 -5.705 -0.301 3.811 243 HB ILE 32 HB ILE 32 -3.343 -0.678 3.171 244 HG12 ILE 32 2HG1 ILE 32 -4.338 -0.811 0.368 245 HG13 ILE 32 1HG1 ILE 32 -3.547 0.621 1.047 246 HG21 ILE 32 1HG2 ILE 32 -3.590 -2.894 2.078 247 HG22 ILE 32 2HG2 ILE 32 -5.290 -2.522 1.788 248 HG23 ILE 32 3HG2 ILE 32 -4.685 -2.655 3.439 249 HD11 ILE 32 3HD1 ILE 32 -1.527 -0.691 1.437 250 HD12 ILE 32 1HD1 ILE 32 -1.973 -0.721 -0.269 251 HD13 ILE 32 2HD1 ILE 32 -2.316 -2.116 0.761 252 H LEU 33 H LEU 33 -4.782 1.308 4.829 253 HA LEU 33 HA LEU 33 -4.384 3.831 3.338 254 HB2 LEU 33 2HB LEU 33 -4.507 3.361 6.320 255 HB3 LEU 33 1HB LEU 33 -4.520 4.908 5.495 256 HG LEU 33 HG LEU 33 -6.723 2.851 5.482 257 HD11 LEU 33 1HD1 LEU 33 -6.628 5.600 6.684 258 HD12 LEU 33 2HD1 LEU 33 -6.563 4.045 7.537 259 HD13 LEU 33 3HD1 LEU 33 -8.013 4.492 6.637 260 HD21 LEU 33 3HD2 LEU 33 -6.587 5.516 4.098 261 HD22 LEU 33 1HD2 LEU 33 -8.030 4.507 4.225 262 HD23 LEU 33 2HD2 LEU 33 -6.628 3.931 3.325 263 H ALA 34 H ALA 34 -2.430 4.340 2.929 264 HA ALA 34 HA ALA 34 -0.322 3.020 4.470 265 HB1 ALA 34 1HB ALA 34 0.872 2.524 2.401 266 HB2 ALA 34 2HB ALA 34 -0.466 3.193 1.465 267 HB3 ALA 34 3HB ALA 34 -0.706 1.738 2.432 268 H HIS 35 H HIS 35 1.733 4.079 4.269 269 HA HIS 35 HA HIS 35 1.327 6.956 3.754 270 HB2 HIS 35 2HB HIS 35 1.714 6.079 6.181 271 HB3 HIS 35 1HB HIS 35 3.389 5.912 5.667 272 HD1 HIS 35 1HD HIS 35 4.604 8.257 4.925 273 HD2 HIS 35 2HD HIS 35 0.933 8.595 6.850 274 HE1 HIS 35 1HE HIS 35 4.471 10.606 5.718 275 HE2 HIS 35 2HE HIS 35 2.071 10.832 6.410 276 H VAL 36 H VAL 36 2.836 7.992 2.590 277 HA VAL 36 HA VAL 36 4.791 6.414 1.211 278 HB VAL 36 HB VAL 36 5.302 8.458 -0.071 279 HG11 VAL 36 1HG1 VAL 36 3.149 8.604 -1.233 280 HG12 VAL 36 2HG1 VAL 36 2.395 7.729 0.101 281 HG13 VAL 36 3HG1 VAL 36 3.629 6.946 -0.885 282 HG21 VAL 36 3HG2 VAL 36 3.130 9.725 1.608 283 HG22 VAL 36 1HG2 VAL 36 3.888 10.459 0.193 284 HG23 VAL 36 2HG2 VAL 36 4.843 10.142 1.642 285 H SER 37 H SER 37 7.028 6.850 1.116 286 HA SER 37 HA SER 37 8.198 7.233 3.650 287 HB2 SER 37 2HB SER 37 10.314 6.988 2.543 288 HB3 SER 37 1HB SER 37 9.190 5.926 1.693 289 HG SER 37 HG SER 37 9.754 6.980 -0.017 290 H GLY 38 H GLY 38 9.812 8.901 4.169 291 HA2 GLY 38 2HA GLY 38 8.816 11.477 4.083 292 HA3 GLY 38 1HA GLY 38 10.467 11.046 4.492 293 H LYS 39 H LYS 39 10.735 9.858 1.617 294 HA LYS 39 HA LYS 39 11.722 12.373 0.597 295 HB2 LYS 39 2HB LYS 39 13.154 10.379 0.384 296 HB3 LYS 39 1HB LYS 39 11.925 9.590 -0.597 297 HG2 LYS 39 2HG LYS 39 12.198 11.256 -2.337 298 HG3 LYS 39 1HG LYS 39 13.350 12.134 -1.345 299 HD2 LYS 39 2HD LYS 39 14.912 10.283 -1.463 300 HD3 LYS 39 1HD LYS 39 13.739 9.321 -2.366 301 HE2 LYS 39 2HE LYS 39 15.404 10.307 -3.864 302 HE3 LYS 39 1HE LYS 39 13.796 10.940 -4.195 303 HZ1 LYS 39 3HZ LYS 39 16.009 12.329 -2.765 304 HZ2 LYS 39 1HZ LYS 39 14.427 12.937 -2.848 305 HZ3 LYS 39 2HZ LYS 39 15.315 12.724 -4.259 306 H ILE 40 H ILE 40 9.083 10.254 0.084 307 HA ILE 40 HA ILE 40 8.332 11.367 -2.449 308 HB ILE 40 HB ILE 40 6.898 9.512 -0.528 309 HG12 ILE 40 2HG1 ILE 40 8.290 8.952 -3.150 310 HG13 ILE 40 1HG1 ILE 40 8.957 8.617 -1.557 311 HG21 ILE 40 1HG2 ILE 40 6.128 10.239 -3.368 312 HG22 ILE 40 2HG2 ILE 40 5.245 10.698 -1.910 313 HG23 ILE 40 3HG2 ILE 40 5.355 9.000 -2.378 314 HD11 ILE 40 3HD1 ILE 40 6.499 7.349 -2.759 315 HD12 ILE 40 1HD1 ILE 40 7.157 6.999 -1.160 316 HD13 ILE 40 2HD1 ILE 40 8.089 6.600 -2.605 317 H ARG 41 H ARG 41 7.706 11.977 0.881 318 HA ARG 41 HA ARG 41 5.494 13.763 0.340 319 HB2 ARG 41 2HB ARG 41 5.499 12.642 2.478 320 HB3 ARG 41 1HB ARG 41 7.091 13.278 2.859 321 HG2 ARG 41 2HG ARG 41 6.166 15.551 2.921 322 HG3 ARG 41 1HG ARG 41 4.570 14.907 2.548 323 HD2 ARG 41 2HD ARG 41 4.576 13.641 4.623 324 HD3 ARG 41 1HD ARG 41 6.209 14.199 4.980 325 HE ARG 41 HE ARG 41 5.015 16.500 4.771 326 HH11 ARG 41 1HH1 ARG 41 3.741 13.611 6.382 327 HH12 ARG 41 2HH1 ARG 41 2.881 14.428 7.592 328 HH21 ARG 41 1HH2 ARG 41 3.835 17.689 6.485 329 HH22 ARG 41 2HH2 ARG 41 2.971 16.825 7.664 330 H MET 42 H MET 42 8.890 14.113 1.294 331 HA MET 42 HA MET 42 8.735 16.965 1.318 332 HB2 MET 42 2HB MET 42 11.152 15.196 1.582 333 HB3 MET 42 1HB MET 42 11.127 16.931 1.842 334 HG2 MET 42 2HG MET 42 9.684 14.840 3.461 335 HG3 MET 42 1HG MET 42 11.093 15.770 3.955 336 HE1 MET 42 3HE MET 42 8.349 17.180 6.327 337 HE2 MET 42 1HE MET 42 9.963 16.481 6.207 338 HE3 MET 42 2HE MET 42 8.549 15.512 5.793 339 H ASN 43 H ASN 43 9.307 14.759 -1.234 340 HA ASN 43 HA ASN 43 10.744 16.913 -2.605 341 HB2 ASN 43 2HB ASN 43 11.292 13.970 -2.913 342 HB3 ASN 43 1HB ASN 43 11.916 15.178 -4.010 343 HD21 ASN 43 1HD2 ASN 43 12.238 16.975 -1.482 344 HD22 ASN 43 2HD2 ASN 43 13.708 16.401 -0.807 345 H TYR 44 H TYR 44 10.979 16.274 -4.966 346 HA TYR 44 HA TYR 44 8.783 16.924 -6.408 347 HB2 TYR 44 2HB TYR 44 10.193 15.965 -8.373 348 HB3 TYR 44 1HB TYR 44 10.854 17.293 -7.427 349 HD1 TYR 44 2HD TYR 44 12.715 16.904 -5.852 350 HD2 TYR 44 1HD TYR 44 11.213 13.744 -8.263 351 HE1 TYR 44 2HE TYR 44 14.683 15.555 -5.276 352 HE2 TYR 44 1HE TYR 44 13.187 12.367 -7.681 353 HH TYR 44 HH TYR 44 15.545 12.780 -6.895 354 H ILE 45 H ILE 45 9.781 13.781 -5.595 355 HA ILE 45 HA ILE 45 7.890 12.506 -7.396 356 HB ILE 45 HB ILE 45 8.604 10.330 -6.268 357 HG12 ILE 45 2HG1 ILE 45 10.842 12.073 -5.183 358 HG13 ILE 45 1HG1 ILE 45 9.568 11.347 -4.213 359 HG21 ILE 45 1HG2 ILE 45 10.672 11.907 -7.767 360 HG22 ILE 45 2HG2 ILE 45 9.367 10.953 -8.466 361 HG23 ILE 45 3HG2 ILE 45 10.659 10.156 -7.569 362 HD11 ILE 45 3HD1 ILE 45 11.636 10.084 -4.042 363 HD12 ILE 45 1HD1 ILE 45 11.663 9.865 -5.791 364 HD13 ILE 45 2HD1 ILE 45 10.387 9.123 -4.829 365 H ARG 46 H ARG 46 5.900 12.767 -6.908 366 HA ARG 46 HA ARG 46 4.999 12.129 -4.202 367 HB2 ARG 46 2HB ARG 46 4.161 14.386 -6.016 368 HB3 ARG 46 1HB ARG 46 3.222 13.883 -4.616 369 HG2 ARG 46 2HG ARG 46 4.767 14.688 -3.116 370 HG3 ARG 46 1HG ARG 46 6.105 14.533 -4.255 371 HD2 ARG 46 2HD ARG 46 3.875 16.543 -4.485 372 HD3 ARG 46 1HD ARG 46 5.476 16.883 -3.814 373 HE ARG 46 HE ARG 46 5.967 15.745 -6.218 374 HH11 ARG 46 1HH1 ARG 46 4.235 18.622 -5.184 375 HH12 ARG 46 2HH1 ARG 46 4.473 19.515 -6.616 376 HH21 ARG 46 1HH2 ARG 46 6.332 16.883 -8.188 377 HH22 ARG 46 2HH2 ARG 46 5.738 18.464 -8.437 378 H ILE 47 H ILE 47 2.916 11.221 -4.120 379 HA ILE 47 HA ILE 47 2.380 9.581 -6.456 380 HB ILE 47 HB ILE 47 1.337 9.365 -3.620 381 HG12 ILE 47 2HG1 ILE 47 3.722 8.947 -3.689 382 HG13 ILE 47 1HG1 ILE 47 2.871 7.427 -3.433 383 HG21 ILE 47 1HG2 ILE 47 1.094 7.418 -5.906 384 HG22 ILE 47 2HG2 ILE 47 -0.210 8.371 -5.199 385 HG23 ILE 47 3HG2 ILE 47 0.591 7.123 -4.239 386 HD11 ILE 47 3HD1 ILE 47 4.712 7.152 -4.940 387 HD12 ILE 47 1HD1 ILE 47 4.072 8.394 -6.016 388 HD13 ILE 47 2HD1 ILE 47 3.191 6.881 -5.794 389 H LEU 48 H LEU 48 0.618 9.721 -7.638 390 HA LEU 48 HA LEU 48 -1.497 11.519 -6.783 391 HB2 LEU 48 2HB LEU 48 -0.203 11.280 -9.460 392 HB3 LEU 48 1HB LEU 48 -1.907 11.672 -9.394 393 HG LEU 48 HG LEU 48 -1.330 13.581 -7.921 394 HD11 LEU 48 1HD1 LEU 48 0.882 12.906 -7.161 395 HD12 LEU 48 2HD1 LEU 48 0.979 14.463 -7.986 396 HD13 LEU 48 3HD1 LEU 48 1.503 12.994 -8.810 397 HD21 LEU 48 3HD2 LEU 48 -0.577 15.028 -9.776 398 HD22 LEU 48 1HD2 LEU 48 -1.865 13.917 -10.243 399 HD23 LEU 48 2HD2 LEU 48 -0.198 13.583 -10.713 400 HA PRO 49 HA PRO 49 -4.483 8.268 -6.803 401 HB2 PRO 49 2HB PRO 49 -5.996 10.271 -8.444 402 HB3 PRO 49 1HB PRO 49 -6.558 9.318 -7.050 403 HG2 PRO 49 2HG PRO 49 -5.964 11.825 -6.678 404 HG3 PRO 49 1HG PRO 49 -5.397 10.618 -5.505 405 HD2 PRO 49 2HD PRO 49 -3.852 12.063 -7.584 406 HD3 PRO 49 1HD PRO 49 -3.370 11.531 -5.960 407 H GLY 50 H GLY 50 -4.508 6.529 -8.082 408 HA2 GLY 50 2HA GLY 50 -5.053 5.433 -10.127 409 HA3 GLY 50 1HA GLY 50 -4.501 6.861 -10.998 410 H ASP 51 H ASP 51 -2.332 6.627 -8.680 411 HA ASP 51 HA ASP 51 -0.305 5.584 -10.407 412 HB2 ASP 51 2HB ASP 51 -0.226 7.399 -8.375 413 HB3 ASP 51 1HB ASP 51 0.335 5.925 -7.576 414 H LYS 52 H LYS 52 1.206 4.027 -9.715 415 HA LYS 52 HA LYS 52 -0.056 1.731 -8.373 416 HB2 LYS 52 2HB LYS 52 1.926 1.820 -10.644 417 HB3 LYS 52 1HB LYS 52 1.594 0.352 -9.745 418 HG2 LYS 52 2HG LYS 52 -0.411 1.948 -11.349 419 HG3 LYS 52 1HG LYS 52 0.335 0.428 -11.847 420 HD2 LYS 52 2HD LYS 52 -1.407 0.768 -9.386 421 HD3 LYS 52 1HD LYS 52 -1.947 0.145 -10.934 422 HE2 LYS 52 2HE LYS 52 -0.652 -1.798 -10.755 423 HE3 LYS 52 1HE LYS 52 0.359 -1.129 -9.481 424 HZ1 LYS 52 3HZ LYS 52 -2.506 -1.410 -8.995 425 HZ2 LYS 52 1HZ LYS 52 -1.238 -1.428 -7.929 426 HZ3 LYS 52 2HZ LYS 52 -1.618 -2.788 -8.909 427 H VAL 53 H VAL 53 0.899 0.988 -6.621 428 HA VAL 53 HA VAL 53 3.622 1.736 -6.093 429 HB VAL 53 HB VAL 53 3.110 2.495 -3.817 430 HG11 VAL 53 1HG1 VAL 53 1.897 4.206 -6.002 431 HG12 VAL 53 2HG1 VAL 53 3.596 4.163 -5.532 432 HG13 VAL 53 3HG1 VAL 53 2.389 4.799 -4.416 433 HG21 VAL 53 3HG2 VAL 53 0.884 1.579 -3.509 434 HG22 VAL 53 1HG2 VAL 53 0.244 2.625 -4.777 435 HG23 VAL 53 2HG2 VAL 53 0.830 3.324 -3.268 436 H THR 54 H THR 54 4.627 0.472 -4.758 437 HA THR 54 HA THR 54 3.360 -2.075 -4.183 438 HB THR 54 HB THR 54 6.247 -1.309 -3.821 439 HG1 THR 54 1HG THR 54 4.776 -2.049 -6.141 440 HG21 THR 54 3HG2 THR 54 4.885 -3.944 -4.441 441 HG22 THR 54 1HG2 THR 54 5.534 -3.463 -2.872 442 HG23 THR 54 2HG2 THR 54 6.621 -3.711 -4.238 443 H VAL 55 H VAL 55 2.884 -2.604 -2.197 444 HA VAL 55 HA VAL 55 3.647 -0.702 -0.067 445 HB VAL 55 HB VAL 55 1.177 -0.956 -0.582 446 HG11 VAL 55 1HG1 VAL 55 0.982 -3.357 -0.897 447 HG12 VAL 55 2HG1 VAL 55 -0.040 -2.849 0.452 448 HG13 VAL 55 3HG1 VAL 55 1.464 -3.652 0.772 449 HG21 VAL 55 3HG2 VAL 55 1.908 0.079 1.471 450 HG22 VAL 55 1HG2 VAL 55 2.102 -1.499 2.230 451 HG23 VAL 55 2HG2 VAL 55 0.495 -0.926 1.798 452 H GLU 56 H GLU 56 4.665 -1.320 1.680 453 HA GLU 56 HA GLU 56 5.180 -4.161 2.136 454 HB2 GLU 56 2HB GLU 56 6.975 -3.395 3.622 455 HB3 GLU 56 1HB GLU 56 7.138 -2.585 2.071 456 HG2 GLU 56 2HG GLU 56 5.925 -0.641 3.070 457 HG3 GLU 56 1HG GLU 56 6.052 -1.452 4.624 458 H MET 57 H MET 57 4.150 -5.117 3.799 459 HA MET 57 HA MET 57 2.689 -3.421 5.722 460 HB2 MET 57 2HB MET 57 1.375 -5.946 5.052 461 HB3 MET 57 1HB MET 57 0.693 -4.360 5.300 462 HG2 MET 57 2HG MET 57 1.499 -3.698 3.051 463 HG3 MET 57 1HG MET 57 1.981 -5.345 2.783 464 HE1 MET 57 3HE MET 57 -1.143 -3.762 4.519 465 HE2 MET 57 1HE MET 57 -2.349 -3.905 3.246 466 HE3 MET 57 2HE MET 57 -0.957 -2.845 3.024 467 H SER 58 H SER 58 2.157 -4.577 7.706 468 HA SER 58 HA SER 58 4.344 -6.332 8.369 469 HB2 SER 58 2HB SER 58 2.097 -5.272 10.111 470 HB3 SER 58 1HB SER 58 3.597 -6.020 10.665 471 HG SER 58 HG SER 58 3.116 -3.519 9.572 472 HA PRO 59 HA PRO 59 1.887 -10.040 7.736 473 HB2 PRO 59 2HB PRO 59 3.275 -11.161 10.111 474 HB3 PRO 59 1HB PRO 59 3.244 -11.758 8.436 475 HG2 PRO 59 2HG PRO 59 5.430 -10.645 9.401 476 HG3 PRO 59 1HG PRO 59 4.910 -10.362 7.727 477 HD2 PRO 59 2HD PRO 59 4.671 -8.555 10.091 478 HD3 PRO 59 1HD PRO 59 5.092 -8.183 8.404 479 H TYR 60 H TYR 60 1.863 -8.260 10.568 480 HA TYR 60 HA TYR 60 -0.190 -9.837 11.883 481 HB2 TYR 60 2HB TYR 60 1.697 -8.917 13.200 482 HB3 TYR 60 1HB TYR 60 1.201 -7.292 12.763 483 HD1 TYR 60 1HD TYR 60 0.067 -10.344 14.560 484 HD2 TYR 60 2HD TYR 60 -0.346 -6.132 14.116 485 HE1 TYR 60 1HE TYR 60 -1.356 -10.276 16.566 486 HE2 TYR 60 2HE TYR 60 -1.772 -6.055 16.117 487 HH TYR 60 HH TYR 60 -3.219 -7.579 17.390 488 H ASP 61 H ASP 61 -0.095 -7.321 9.544 489 HA ASP 61 HA ASP 61 -2.765 -6.549 10.429 490 HB2 ASP 61 2HB ASP 61 -2.512 -4.251 9.777 491 HB3 ASP 61 1HB ASP 61 -1.157 -4.544 10.824 492 H LEU 62 H LEU 62 -0.808 -6.203 7.473 493 HA LEU 62 HA LEU 62 -1.310 -6.201 5.273 494 HB2 LEU 62 2HB LEU 62 -3.130 -8.444 6.120 495 HB3 LEU 62 1HB LEU 62 -3.067 -7.910 4.456 496 HG LEU 62 HG LEU 62 -0.598 -8.342 4.555 497 HD11 LEU 62 1HD1 LEU 62 -1.469 -9.861 7.030 498 HD12 LEU 62 2HD1 LEU 62 -0.280 -8.558 6.958 499 HD13 LEU 62 3HD1 LEU 62 0.066 -10.124 6.216 500 HD21 LEU 62 3HD2 LEU 62 -2.104 -9.753 3.308 501 HD22 LEU 62 1HD2 LEU 62 -2.528 -10.655 4.764 502 HD23 LEU 62 2HD2 LEU 62 -0.894 -10.758 4.105 503 H THR 63 H THR 63 -2.659 -4.430 6.955 504 HA THR 63 HA THR 63 -4.860 -3.852 5.165 505 HB THR 63 HB THR 63 -5.872 -4.747 7.178 506 HG1 THR 63 1HG THR 63 -7.217 -2.954 7.709 507 HG21 THR 63 3HG2 THR 63 -4.373 -2.582 8.651 508 HG22 THR 63 1HG2 THR 63 -4.205 -4.327 8.827 509 HG23 THR 63 2HG2 THR 63 -5.690 -3.528 9.356 510 H ARG 64 H ARG 64 -2.089 -2.729 6.879 511 HA ARG 64 HA ARG 64 -2.462 -0.073 5.782 512 HB2 ARG 64 2HB ARG 64 -2.126 -0.920 8.584 513 HB3 ARG 64 1HB ARG 64 -1.097 0.414 8.186 514 HG2 ARG 64 2HG ARG 64 -3.141 1.316 9.130 515 HG3 ARG 64 1HG ARG 64 -3.252 1.617 7.398 516 HD2 ARG 64 2HD ARG 64 -4.573 -0.557 7.252 517 HD3 ARG 64 1HD ARG 64 -4.628 -0.526 9.008 518 HE ARG 64 HE ARG 64 -5.852 1.614 8.779 519 HH11 ARG 64 1HH1 ARG 64 -5.905 -0.633 5.938 520 HH12 ARG 64 2HH1 ARG 64 -7.448 -0.063 5.459 521 HH21 ARG 64 1HH2 ARG 64 -8.115 2.210 7.905 522 HH22 ARG 64 2HH2 ARG 64 -8.559 1.399 6.452 523 H GLY 65 H GLY 65 -0.154 1.017 5.645 524 HA2 GLY 65 2HA GLY 65 2.131 -0.699 5.845 525 HA3 GLY 65 1HA GLY 65 1.456 -0.762 4.253 526 H ARG 66 H ARG 66 3.689 0.013 3.837 527 HA ARG 66 HA ARG 66 3.583 2.928 3.577 528 HB2 ARG 66 2HB ARG 66 5.233 2.573 5.309 529 HB3 ARG 66 1HB ARG 66 6.027 1.315 4.370 530 HG2 ARG 66 2HG ARG 66 6.701 2.960 2.699 531 HG3 ARG 66 1HG ARG 66 5.876 4.224 3.594 532 HD2 ARG 66 2HD ARG 66 8.251 4.190 3.818 533 HD3 ARG 66 1HD ARG 66 7.428 4.045 5.389 534 HE ARG 66 HE ARG 66 8.219 1.544 4.114 535 HH11 ARG 66 1HH1 ARG 66 9.364 4.029 6.354 536 HH12 ARG 66 2HH1 ARG 66 10.412 2.972 7.201 537 HH21 ARG 66 1HH2 ARG 66 9.518 0.125 5.259 538 HH22 ARG 66 2HH2 ARG 66 10.526 0.612 6.533 539 H ILE 67 H ILE 67 4.468 3.792 1.748 540 HA ILE 67 HA ILE 67 4.758 1.991 -0.516 541 HB ILE 67 HB ILE 67 4.379 4.967 -0.311 542 HG12 ILE 67 2HG1 ILE 67 2.493 4.316 -1.978 543 HG13 ILE 67 1HG1 ILE 67 2.887 2.685 -1.395 544 HG21 ILE 67 1HG2 ILE 67 4.540 5.152 -2.753 545 HG22 ILE 67 2HG2 ILE 67 5.096 3.462 -2.809 546 HG23 ILE 67 3HG2 ILE 67 6.043 4.679 -1.946 547 HD11 ILE 67 3HD1 ILE 67 2.352 3.336 0.864 548 HD12 ILE 67 1HD1 ILE 67 0.972 3.654 -0.195 549 HD13 ILE 67 2HD1 ILE 67 2.016 4.979 0.337 550 H THR 68 H THR 68 6.656 1.316 -0.952 551 HA THR 68 HA THR 68 8.869 3.241 -0.793 552 HB THR 68 HB THR 68 10.309 1.080 -0.856 553 HG1 THR 68 1HG THR 68 8.459 -0.193 0.627 554 HG21 THR 68 3HG2 THR 68 8.637 1.935 1.445 555 HG22 THR 68 1HG2 THR 68 10.184 2.657 1.002 556 HG23 THR 68 2HG2 THR 68 10.127 0.987 1.616 557 H TYR 69 H TYR 69 7.139 1.170 -2.969 558 HA TYR 69 HA TYR 69 9.003 2.054 -5.033 559 HB2 TYR 69 2HB TYR 69 9.307 -0.399 -4.489 560 HB3 TYR 69 1HB TYR 69 7.641 -0.627 -5.024 561 HD1 TYR 69 2HD TYR 69 10.909 0.701 -6.237 562 HD2 TYR 69 1HD TYR 69 7.205 -1.120 -7.256 563 HE1 TYR 69 2HE TYR 69 11.660 0.483 -8.570 564 HE2 TYR 69 1HE TYR 69 7.946 -1.336 -9.581 565 HH TYR 69 HH TYR 69 9.549 -0.254 -11.101 566 H ARG 70 H ARG 70 8.093 2.401 -7.089 567 HA ARG 70 HA ARG 70 5.188 2.587 -7.181 568 HB2 ARG 70 2HB ARG 70 7.121 4.705 -8.179 569 HB3 ARG 70 1HB ARG 70 5.375 4.741 -8.325 570 HG2 ARG 70 2HG ARG 70 5.378 5.997 -6.510 571 HG3 ARG 70 1HG ARG 70 5.792 4.542 -5.604 572 HD2 ARG 70 2HD ARG 70 7.844 6.390 -6.840 573 HD3 ARG 70 1HD ARG 70 7.266 6.554 -5.192 574 HE ARG 70 HE ARG 70 8.189 4.337 -4.767 575 HH11 ARG 70 1HH1 ARG 70 9.430 6.011 -7.628 576 HH12 ARG 70 2HH1 ARG 70 11.003 5.377 -7.532 577 HH21 ARG 70 1HH2 ARG 70 10.383 3.456 -4.583 578 HH22 ARG 70 2HH2 ARG 70 11.567 3.862 -5.727 579 H TYR 71 H TYR 71 4.429 1.942 -9.163 580 HA TYR 71 HA TYR 71 6.449 1.087 -11.097 581 HB2 TYR 71 2HB TYR 71 3.656 0.152 -10.562 582 HB3 TYR 71 1HB TYR 71 4.351 -0.075 -12.159 583 HD1 TYR 71 1HD TYR 71 6.401 -1.464 -12.405 584 HD2 TYR 71 2HD TYR 71 4.245 -1.277 -8.746 585 HE1 TYR 71 1HE TYR 71 7.482 -3.543 -11.676 586 HE2 TYR 71 2HE TYR 71 5.330 -3.362 -8.000 587 HH TYR 71 HH TYR 71 8.033 -4.660 -9.524 588 H LYS 72 H LYS 72 6.720 2.106 -12.940 589 HA LYS 72 HA LYS 72 4.590 3.814 -13.914 590 HB2 LYS 72 2HB LYS 72 7.587 4.274 -14.102 591 HB3 LYS 72 1HB LYS 72 6.369 5.245 -14.913 592 HG2 LYS 72 2HG LYS 72 6.773 4.994 -11.936 593 HG3 LYS 72 1HG LYS 72 7.156 6.395 -12.940 594 HD2 LYS 72 2HD LYS 72 4.780 6.643 -13.495 595 HD3 LYS 72 1HD LYS 72 4.401 5.235 -12.507 596 HE2 LYS 72 2HE LYS 72 5.316 6.428 -10.544 597 HE3 LYS 72 1HE LYS 72 5.532 7.854 -11.562 598 HZ1 LYS 72 3HZ LYS 72 3.401 7.878 -10.300 599 HZ2 LYS 72 1HZ LYS 72 3.019 6.451 -10.983 600 HZ3 LYS 72 2HZ LYS 72 3.066 7.807 -11.962 Start of MODEL 8 1 H1 MET 1 1HT MET 1 12.404 -13.830 9.015 2 H2 MET 1 2HT MET 1 12.272 -15.515 8.662 3 H3 MET 1 3HT MET 1 10.945 -14.431 8.553 4 HA MET 1 HA MET 1 11.674 -13.307 6.789 5 HB2 MET 1 2HB MET 1 14.325 -14.761 7.013 6 HB3 MET 1 1HB MET 1 13.899 -13.606 5.766 7 HG2 MET 1 2HG MET 1 15.313 -12.502 7.319 8 HG3 MET 1 1HG MET 1 13.684 -11.874 7.561 9 HE1 MET 1 2HE MET 1 15.976 -11.394 9.675 10 HE2 MET 1 3HE MET 1 15.130 -11.740 11.183 11 HE3 MET 1 1HE MET 1 14.315 -10.844 9.899 12 H ALA 2 H ALA 2 10.340 -14.208 5.317 13 HA ALA 2 HA ALA 2 10.893 -16.966 4.425 14 HB1 ALA 2 1HB ALA 2 8.547 -16.416 4.958 15 HB2 ALA 2 2HB ALA 2 8.721 -16.765 3.238 16 HB3 ALA 2 3HB ALA 2 8.587 -15.095 3.790 17 H LYS 3 H LYS 3 11.392 -13.833 3.798 18 HA LYS 3 HA LYS 3 13.150 -13.958 1.697 19 HB2 LYS 3 2HB LYS 3 11.778 -12.523 0.038 20 HB3 LYS 3 1HB LYS 3 11.296 -14.207 0.099 21 HG2 LYS 3 2HG LYS 3 9.346 -13.630 1.454 22 HG3 LYS 3 1HG LYS 3 9.875 -11.954 1.535 23 HD2 LYS 3 2HD LYS 3 9.084 -13.414 -0.987 24 HD3 LYS 3 1HD LYS 3 8.067 -12.279 -0.097 25 HE2 LYS 3 2HE LYS 3 9.892 -10.574 -0.417 26 HE3 LYS 3 1HE LYS 3 10.656 -11.713 -1.519 27 HZ1 LYS 3 3HZ LYS 3 7.982 -10.490 -1.809 28 HZ2 LYS 3 1HZ LYS 3 8.653 -11.568 -2.950 29 HZ3 LYS 3 2HZ LYS 3 9.308 -10.015 -2.559 30 H GLN 4 H GLN 4 10.570 -12.172 3.095 31 HA GLN 4 HA GLN 4 12.312 -10.672 4.794 32 HB2 GLN 4 2HB GLN 4 9.920 -9.428 3.330 33 HB3 GLN 4 1HB GLN 4 10.875 -8.647 4.564 34 HG2 GLN 4 2HG GLN 4 11.721 -7.596 2.739 35 HG3 GLN 4 1HG GLN 4 12.789 -8.993 2.740 36 HE21 GLN 4 1HE2 GLN 4 10.067 -7.463 1.215 37 HE22 GLN 4 2HE2 GLN 4 10.066 -8.353 -0.242 38 H ASP 5 H ASP 5 10.434 -9.754 6.458 39 HA ASP 5 HA ASP 5 8.499 -11.956 6.676 40 HB2 ASP 5 2HB ASP 5 9.570 -10.036 8.700 41 HB3 ASP 5 1HB ASP 5 8.261 -11.172 9.069 42 H VAL 6 H VAL 6 8.846 -9.117 5.573 43 HA VAL 6 HA VAL 6 6.057 -8.245 5.902 44 HB VAL 6 HB VAL 6 8.486 -6.656 4.964 45 HG11 VAL 6 1HG1 VAL 6 5.729 -5.701 5.679 46 HG12 VAL 6 2HG1 VAL 6 6.361 -5.884 4.053 47 HG13 VAL 6 3HG1 VAL 6 7.080 -4.693 5.149 48 HG21 VAL 6 3HG2 VAL 6 7.086 -6.549 7.635 49 HG22 VAL 6 1HG2 VAL 6 8.374 -5.466 7.108 50 HG23 VAL 6 2HG2 VAL 6 8.701 -7.186 7.332 51 H ILE 7 H ILE 7 4.904 -7.989 3.880 52 HA ILE 7 HA ILE 7 6.290 -9.166 1.573 53 HB ILE 7 HB ILE 7 3.278 -9.067 2.005 54 HG12 ILE 7 2HG1 ILE 7 3.723 -11.691 2.352 55 HG13 ILE 7 1HG1 ILE 7 5.271 -11.055 2.918 56 HG21 ILE 7 1HG2 ILE 7 3.943 -9.330 -0.314 57 HG22 ILE 7 2HG2 ILE 7 3.198 -10.813 0.288 58 HG23 ILE 7 3HG2 ILE 7 4.951 -10.714 0.114 59 HD11 ILE 7 3HD1 ILE 7 2.600 -10.281 4.020 60 HD12 ILE 7 1HD1 ILE 7 4.181 -9.747 4.594 61 HD13 ILE 7 2HD1 ILE 7 3.720 -11.446 4.727 62 H GLU 8 H GLU 8 5.988 -8.165 -0.468 63 HA GLU 8 HA GLU 8 5.050 -5.428 -0.272 64 HB2 GLU 8 2HB GLU 8 6.404 -4.990 -2.296 65 HB3 GLU 8 1HB GLU 8 7.383 -5.590 -0.975 66 HG2 GLU 8 2HG GLU 8 6.426 -7.287 -3.283 67 HG3 GLU 8 1HG GLU 8 7.978 -6.467 -3.244 68 H LEU 9 H LEU 9 3.284 -4.865 -1.244 69 HA LEU 9 HA LEU 9 2.077 -6.689 -3.216 70 HB2 LEU 9 2HB LEU 9 0.623 -5.063 -1.122 71 HB3 LEU 9 1HB LEU 9 -0.136 -6.049 -2.348 72 HG LEU 9 HG LEU 9 1.471 -7.017 0.029 73 HD11 LEU 9 1HD1 LEU 9 -0.621 -8.057 0.679 74 HD12 LEU 9 2HD1 LEU 9 -1.415 -7.338 -0.721 75 HD13 LEU 9 3HD1 LEU 9 -0.769 -6.304 0.553 76 HD21 LEU 9 3HD2 LEU 9 1.952 -8.448 -1.908 77 HD22 LEU 9 1HD2 LEU 9 0.222 -8.624 -2.211 78 HD23 LEU 9 2HD2 LEU 9 0.932 -9.286 -0.742 79 H GLU 10 H GLU 10 0.478 -5.630 -4.639 80 HA GLU 10 HA GLU 10 1.332 -2.912 -5.357 81 HB2 GLU 10 2HB GLU 10 0.009 -5.085 -6.996 82 HB3 GLU 10 1HB GLU 10 0.270 -3.450 -7.561 83 HG2 GLU 10 2HG GLU 10 2.685 -3.791 -7.406 84 HG3 GLU 10 1HG GLU 10 2.407 -5.440 -6.838 85 H GLY 11 H GLY 11 -0.229 -1.365 -5.602 86 HA2 GLY 11 2HA GLY 11 -3.013 -2.080 -5.575 87 HA3 GLY 11 1HA GLY 11 -2.507 -1.172 -4.163 88 H THR 12 H THR 12 -4.325 -0.152 -5.698 89 HA THR 12 HA THR 12 -2.985 1.827 -7.414 90 HB THR 12 HB THR 12 -5.883 0.951 -7.368 91 HG1 THR 12 1HG THR 12 -3.866 0.411 -9.295 92 HG21 THR 12 3HG2 THR 12 -5.511 3.263 -8.148 93 HG22 THR 12 1HG2 THR 12 -6.056 2.215 -9.466 94 HG23 THR 12 2HG2 THR 12 -4.352 2.664 -9.326 95 H VAL 13 H VAL 13 -3.017 3.862 -6.706 96 HA VAL 13 HA VAL 13 -4.475 4.438 -4.256 97 HB VAL 13 HB VAL 13 -2.158 5.117 -4.132 98 HG11 VAL 13 1HG1 VAL 13 -1.170 6.686 -5.540 99 HG12 VAL 13 2HG1 VAL 13 -2.588 6.583 -6.635 100 HG13 VAL 13 3HG1 VAL 13 -1.594 5.136 -6.267 101 HG21 VAL 13 3HG2 VAL 13 -3.724 6.684 -3.039 102 HG22 VAL 13 1HG2 VAL 13 -3.821 7.604 -4.536 103 HG23 VAL 13 2HG2 VAL 13 -2.296 7.519 -3.661 104 H LEU 14 H LEU 14 -6.122 5.720 -4.016 105 HA LEU 14 HA LEU 14 -7.278 6.751 -6.474 106 HB2 LEU 14 2HB LEU 14 -8.471 6.588 -3.712 107 HB3 LEU 14 1HB LEU 14 -9.305 7.190 -5.127 108 HG LEU 14 HG LEU 14 -8.400 4.358 -4.619 109 HD11 LEU 14 1HD1 LEU 14 -10.785 3.866 -4.725 110 HD12 LEU 14 2HD1 LEU 14 -11.128 5.582 -4.940 111 HD13 LEU 14 3HD1 LEU 14 -10.409 5.007 -3.436 112 HD21 LEU 14 3HD2 LEU 14 -8.067 4.857 -6.982 113 HD22 LEU 14 1HD2 LEU 14 -9.698 5.527 -7.088 114 HD23 LEU 14 2HD2 LEU 14 -9.466 3.809 -6.772 115 H ASP 15 H ASP 15 -6.251 7.991 -3.282 116 HA ASP 15 HA ASP 15 -5.392 10.374 -4.423 117 HB2 ASP 15 2HB ASP 15 -7.955 10.761 -4.249 118 HB3 ASP 15 1HB ASP 15 -7.657 10.886 -2.510 119 H THR 16 H THR 16 -4.714 11.925 -2.695 120 HA THR 16 HA THR 16 -3.140 10.290 -0.840 121 HB THR 16 HB THR 16 -1.551 12.177 -0.914 122 HG1 THR 16 1HG THR 16 -3.501 13.609 -1.457 123 HG21 THR 16 3HG2 THR 16 -0.895 11.975 -3.269 124 HG22 THR 16 1HG2 THR 16 -2.484 11.324 -3.663 125 HG23 THR 16 2HG2 THR 16 -1.389 10.411 -2.625 126 H LEU 17 H LEU 17 -3.510 10.573 1.304 127 HA LEU 17 HA LEU 17 -5.523 12.524 2.077 128 HB2 LEU 17 2HB LEU 17 -4.408 10.374 3.842 129 HB3 LEU 17 1HB LEU 17 -5.928 11.195 3.967 130 HG LEU 17 HG LEU 17 -5.223 8.950 2.057 131 HD11 LEU 17 1HD1 LEU 17 -5.701 8.278 4.283 132 HD12 LEU 17 2HD1 LEU 17 -7.009 7.809 3.196 133 HD13 LEU 17 3HD1 LEU 17 -7.207 9.191 4.271 134 HD21 LEU 17 3HD2 LEU 17 -7.511 9.157 1.191 135 HD22 LEU 17 1HD2 LEU 17 -6.603 10.634 0.866 136 HD23 LEU 17 2HD2 LEU 17 -7.773 10.591 2.185 137 HA PRO 18 HA PRO 18 -2.663 15.197 4.267 138 HB2 PRO 18 2HB PRO 18 -4.540 14.774 6.557 139 HB3 PRO 18 1HB PRO 18 -3.904 16.296 5.898 140 HG2 PRO 18 2HG PRO 18 -6.371 15.595 5.367 141 HG3 PRO 18 1HG PRO 18 -5.344 16.312 4.108 142 HD2 PRO 18 2HD PRO 18 -6.197 13.486 4.437 143 HD3 PRO 18 1HD PRO 18 -5.896 14.420 2.959 144 H ASN 19 H ASN 19 -1.077 15.120 5.838 145 HA ASN 19 HA ASN 19 0.466 14.325 7.242 146 HB2 ASN 19 2HB ASN 19 -1.579 12.239 8.087 147 HB3 ASN 19 1HB ASN 19 -0.029 12.489 8.876 148 HD21 ASN 19 1HD2 ASN 19 -3.248 13.611 8.481 149 HD22 ASN 19 2HD2 ASN 19 -3.178 14.840 9.707 150 H ALA 20 H ALA 20 -0.096 13.264 4.560 151 HA ALA 20 HA ALA 20 1.171 12.173 3.014 152 HB1 ALA 20 1HB ALA 20 3.360 11.273 3.591 153 HB2 ALA 20 2HB ALA 20 2.968 11.367 5.307 154 HB3 ALA 20 3HB ALA 20 3.125 12.845 4.358 155 H MET 21 H MET 21 -1.093 10.953 4.271 156 HA MET 21 HA MET 21 -0.428 8.088 4.163 157 HB2 MET 21 2HB MET 21 -3.030 9.484 4.586 158 HB3 MET 21 1HB MET 21 -2.827 7.735 4.689 159 HG2 MET 21 2HG MET 21 -2.009 9.928 6.530 160 HG3 MET 21 1HG MET 21 -3.194 8.645 6.757 161 HE1 MET 21 3HE MET 21 -0.885 9.501 8.862 162 HE2 MET 21 1HE MET 21 -0.462 7.911 9.497 163 HE3 MET 21 2HE MET 21 -2.151 8.320 9.199 164 H PHE 22 H PHE 22 -1.244 6.941 2.439 165 HA PHE 22 HA PHE 22 -2.641 8.533 0.423 166 HB2 PHE 22 2HB PHE 22 -0.490 6.418 0.045 167 HB3 PHE 22 1HB PHE 22 -1.593 6.837 -1.253 168 HD1 PHE 22 1HD PHE 22 0.047 9.158 1.187 169 HD2 PHE 22 2HD PHE 22 -0.177 7.789 -2.829 170 HE1 PHE 22 1HE PHE 22 1.544 10.975 0.497 171 HE2 PHE 22 2HE PHE 22 1.322 9.612 -3.520 172 HZ PHE 22 HZ PHE 22 2.182 11.207 -1.865 173 H LYS 23 H LYS 23 -4.562 7.687 -0.329 174 HA LYS 23 HA LYS 23 -5.350 5.259 1.051 175 HB2 LYS 23 2HB LYS 23 -7.062 6.947 1.239 176 HB3 LYS 23 1HB LYS 23 -7.028 7.257 -0.496 177 HG2 LYS 23 2HG LYS 23 -8.018 5.130 -0.976 178 HG3 LYS 23 1HG LYS 23 -7.840 4.608 0.693 179 HD2 LYS 23 2HD LYS 23 -9.531 6.105 1.428 180 HD3 LYS 23 1HD LYS 23 -9.541 6.954 -0.119 181 HE2 LYS 23 2HE LYS 23 -11.474 5.398 0.198 182 HE3 LYS 23 1HE LYS 23 -10.511 5.072 -1.234 183 HZ1 LYS 23 3HZ LYS 23 -10.509 3.457 1.311 184 HZ2 LYS 23 1HZ LYS 23 -9.427 3.241 0.002 185 HZ3 LYS 23 2HZ LYS 23 -11.006 3.054 -0.254 186 H VAL 24 H VAL 24 -4.764 3.655 0.198 187 HA VAL 24 HA VAL 24 -4.835 3.448 -2.746 188 HB VAL 24 HB VAL 24 -2.911 1.946 -0.958 189 HG11 VAL 24 1HG1 VAL 24 -3.316 0.836 -3.011 190 HG12 VAL 24 2HG1 VAL 24 -1.672 1.454 -2.910 191 HG13 VAL 24 3HG1 VAL 24 -2.867 2.289 -3.906 192 HG21 VAL 24 3HG2 VAL 24 -2.297 4.213 -0.690 193 HG22 VAL 24 1HG2 VAL 24 -2.479 4.526 -2.412 194 HG23 VAL 24 2HG2 VAL 24 -1.165 3.502 -1.840 195 H GLU 25 H GLU 25 -5.897 1.784 -3.639 196 HA GLU 25 HA GLU 25 -6.915 -0.216 -1.797 197 HB2 GLU 25 2HB GLU 25 -8.068 1.010 -4.222 198 HB3 GLU 25 1HB GLU 25 -8.299 -0.725 -4.074 199 HG2 GLU 25 2HG GLU 25 -10.200 0.249 -3.130 200 HG3 GLU 25 1HG GLU 25 -9.210 -0.318 -1.800 201 H LEU 26 H LEU 26 -6.096 -2.043 -1.808 202 HA LEU 26 HA LEU 26 -4.037 -2.920 -3.575 203 HB2 LEU 26 2HB LEU 26 -5.694 -4.418 -1.564 204 HB3 LEU 26 1HB LEU 26 -4.374 -5.138 -2.453 205 HG LEU 26 HG LEU 26 -4.108 -2.832 -0.525 206 HD11 LEU 26 1HD1 LEU 26 -4.723 -4.915 0.595 207 HD12 LEU 26 2HD1 LEU 26 -3.044 -4.493 0.929 208 HD13 LEU 26 3HD1 LEU 26 -3.418 -5.755 -0.241 209 HD21 LEU 26 3HD2 LEU 26 -2.054 -4.495 -1.986 210 HD22 LEU 26 1HD2 LEU 26 -1.703 -3.311 -0.728 211 HD23 LEU 26 2HD2 LEU 26 -2.401 -2.786 -2.255 212 H GLU 27 H GLU 27 -4.118 -5.006 -4.720 213 HA GLU 27 HA GLU 27 -6.112 -5.092 -6.702 214 HB2 GLU 27 2HB GLU 27 -4.939 -7.456 -7.086 215 HB3 GLU 27 1HB GLU 27 -4.153 -5.955 -7.530 216 HG2 GLU 27 2HG GLU 27 -2.641 -7.575 -6.406 217 HG3 GLU 27 1HG GLU 27 -2.746 -6.035 -5.572 218 H ASN 28 H ASN 28 -5.769 -6.554 -3.679 219 HA ASN 28 HA ASN 28 -7.702 -8.611 -3.821 220 HB2 ASN 28 2HB ASN 28 -5.940 -8.614 -2.161 221 HB3 ASN 28 1HB ASN 28 -6.471 -7.071 -1.525 222 HD21 ASN 28 1HD2 ASN 28 -7.136 -10.460 -1.716 223 HD22 ASN 28 2HD2 ASN 28 -8.216 -10.536 -0.360 224 H GLY 29 H GLY 29 -8.143 -5.268 -3.945 225 HA2 GLY 29 2HA GLY 29 -10.167 -4.098 -4.012 226 HA3 GLY 29 1HA GLY 29 -10.987 -5.552 -3.448 227 H HIS 30 H HIS 30 -8.308 -4.751 -1.689 228 HA HIS 30 HA HIS 30 -9.952 -4.074 0.640 229 HB2 HIS 30 2HB HIS 30 -7.948 -5.845 0.457 230 HB3 HIS 30 1HB HIS 30 -7.041 -4.338 0.627 231 HD1 HIS 30 1HD HIS 30 -7.573 -2.877 2.940 232 HD2 HIS 30 2HD HIS 30 -8.670 -6.906 2.891 233 HE1 HIS 30 1HE HIS 30 -7.836 -3.519 5.301 234 HE2 HIS 30 2HE HIS 30 -8.129 -6.001 5.248 235 H GLU 31 H GLU 31 -9.690 -2.082 1.558 236 HA GLU 31 HA GLU 31 -8.066 -0.220 0.063 237 HB2 GLU 31 2HB GLU 31 -9.309 1.542 1.134 238 HB3 GLU 31 1HB GLU 31 -10.443 0.390 0.471 239 HG2 GLU 31 2HG GLU 31 -10.910 -0.468 2.670 240 HG3 GLU 31 1HG GLU 31 -9.656 0.565 3.369 241 H ILE 32 H ILE 32 -6.434 0.797 0.996 242 HA ILE 32 HA ILE 32 -5.846 0.057 3.743 243 HB ILE 32 HB ILE 32 -3.445 -0.273 3.123 244 HG12 ILE 32 2HG1 ILE 32 -4.491 -0.436 0.328 245 HG13 ILE 32 1HG1 ILE 32 -3.682 0.994 0.997 246 HG21 ILE 32 1HG2 ILE 32 -4.840 -2.212 3.454 247 HG22 ILE 32 2HG2 ILE 32 -3.721 -2.527 2.122 248 HG23 ILE 32 3HG2 ILE 32 -5.404 -2.132 1.791 249 HD11 ILE 32 3HD1 ILE 32 -2.145 -0.338 -0.361 250 HD12 ILE 32 1HD1 ILE 32 -2.470 -1.747 0.647 251 HD13 ILE 32 2HD1 ILE 32 -1.651 -0.342 1.332 252 H LEU 33 H LEU 33 -4.865 1.580 4.834 253 HA LEU 33 HA LEU 33 -4.332 4.146 3.466 254 HB2 LEU 33 2HB LEU 33 -4.473 3.479 6.406 255 HB3 LEU 33 1HB LEU 33 -4.353 5.073 5.677 256 HG LEU 33 HG LEU 33 -6.710 3.231 5.382 257 HD11 LEU 33 1HD1 LEU 33 -6.357 5.675 7.128 258 HD12 LEU 33 2HD1 LEU 33 -6.483 4.008 7.689 259 HD13 LEU 33 3HD1 LEU 33 -7.863 4.785 6.912 260 HD21 LEU 33 3HD2 LEU 33 -6.477 4.748 3.508 261 HD22 LEU 33 1HD2 LEU 33 -6.336 6.120 4.610 262 HD23 LEU 33 2HD2 LEU 33 -7.851 5.223 4.506 263 H ALA 34 H ALA 34 -2.358 4.412 2.993 264 HA ALA 34 HA ALA 34 -0.360 2.955 4.576 265 HB1 ALA 34 1HB ALA 34 0.917 2.621 2.520 266 HB2 ALA 34 2HB ALA 34 -0.362 3.418 1.599 267 HB3 ALA 34 3HB ALA 34 -0.682 1.887 2.413 268 H HIS 35 H HIS 35 1.770 3.965 4.520 269 HA HIS 35 HA HIS 35 1.453 6.889 4.241 270 HB2 HIS 35 2HB HIS 35 1.763 5.892 6.613 271 HB3 HIS 35 1HB HIS 35 3.412 5.555 6.107 272 HD1 HIS 35 1HD HIS 35 4.932 7.783 5.553 273 HD2 HIS 35 2HD HIS 35 1.255 8.450 7.377 274 HE1 HIS 35 1HE HIS 35 5.060 10.070 6.514 275 HE2 HIS 35 2HE HIS 35 2.655 10.539 7.170 276 H VAL 36 H VAL 36 3.044 7.919 3.106 277 HA VAL 36 HA VAL 36 4.836 6.192 1.679 278 HB VAL 36 HB VAL 36 5.621 8.247 0.513 279 HG11 VAL 36 1HG1 VAL 36 3.522 8.648 -0.717 280 HG12 VAL 36 2HG1 VAL 36 2.657 7.732 0.517 281 HG13 VAL 36 3HG1 VAL 36 3.875 6.942 -0.485 282 HG21 VAL 36 3HG2 VAL 36 4.359 10.340 0.790 283 HG22 VAL 36 1HG2 VAL 36 5.206 9.890 2.271 284 HG23 VAL 36 2HG2 VAL 36 3.468 9.617 2.128 285 H SER 37 H SER 37 7.000 6.222 1.689 286 HA SER 37 HA SER 37 8.312 6.701 4.122 287 HB2 SER 37 2HB SER 37 10.351 6.160 2.838 288 HB3 SER 37 1HB SER 37 9.060 5.000 2.514 289 HG SER 37 HG SER 37 8.870 5.695 0.566 290 H GLY 38 H GLY 38 10.158 8.179 4.404 291 HA2 GLY 38 2HA GLY 38 9.675 10.851 3.894 292 HA3 GLY 38 1HA GLY 38 11.243 10.177 4.299 293 H LYS 39 H LYS 39 10.836 8.468 1.695 294 HA LYS 39 HA LYS 39 12.528 9.930 -0.005 295 HB2 LYS 39 2HB LYS 39 12.401 7.513 0.096 296 HB3 LYS 39 1HB LYS 39 10.716 7.547 -0.360 297 HG2 LYS 39 2HG LYS 39 11.369 8.336 -2.598 298 HG3 LYS 39 1HG LYS 39 13.069 8.235 -2.110 299 HD2 LYS 39 2HD LYS 39 12.826 5.866 -1.633 300 HD3 LYS 39 1HD LYS 39 11.114 5.939 -2.025 301 HE2 LYS 39 2HE LYS 39 11.687 6.511 -4.339 302 HE3 LYS 39 1HE LYS 39 13.402 6.411 -3.928 303 HZ1 LYS 39 3HZ LYS 39 12.564 4.349 -4.944 304 HZ2 LYS 39 1HZ LYS 39 11.460 4.178 -3.670 305 HZ3 LYS 39 2HZ LYS 39 13.120 4.090 -3.371 306 H ILE 40 H ILE 40 9.053 9.304 0.027 307 HA ILE 40 HA ILE 40 8.687 11.033 -2.269 308 HB ILE 40 HB ILE 40 6.863 9.126 -0.827 309 HG12 ILE 40 2HG1 ILE 40 7.674 9.408 -3.705 310 HG13 ILE 40 1HG1 ILE 40 8.425 8.300 -2.558 311 HG21 ILE 40 1HG2 ILE 40 5.962 11.109 -2.927 312 HG22 ILE 40 2HG2 ILE 40 5.470 11.097 -1.236 313 HG23 ILE 40 3HG2 ILE 40 5.000 9.771 -2.300 314 HD11 ILE 40 3HD1 ILE 40 6.883 7.138 -4.015 315 HD12 ILE 40 1HD1 ILE 40 5.591 8.250 -3.561 316 HD13 ILE 40 2HD1 ILE 40 6.258 7.139 -2.363 317 H ARG 41 H ARG 41 8.124 10.996 1.142 318 HA ARG 41 HA ARG 41 6.380 13.195 1.335 319 HB2 ARG 41 2HB ARG 41 6.979 11.552 3.187 320 HB3 ARG 41 1HB ARG 41 8.498 12.400 3.349 321 HG2 ARG 41 2HG ARG 41 5.992 13.998 3.678 322 HG3 ARG 41 1HG ARG 41 6.398 12.858 4.946 323 HD2 ARG 41 2HD ARG 41 7.269 14.979 5.628 324 HD3 ARG 41 1HD ARG 41 8.652 14.029 5.115 325 HE ARG 41 HE ARG 41 7.609 15.659 3.025 326 HH11 ARG 41 1HH1 ARG 41 9.706 15.829 5.885 327 HH12 ARG 41 2HH1 ARG 41 10.661 17.099 5.265 328 HH21 ARG 41 1HH2 ARG 41 8.902 17.381 2.193 329 HH22 ARG 41 2HH2 ARG 41 10.201 17.996 3.091 330 H MET 42 H MET 42 9.960 12.999 1.293 331 HA MET 42 HA MET 42 10.268 15.784 1.830 332 HB2 MET 42 2HB MET 42 11.952 14.135 2.542 333 HB3 MET 42 1HB MET 42 12.330 13.807 0.858 334 HG2 MET 42 2HG MET 42 13.997 15.273 1.811 335 HG3 MET 42 1HG MET 42 13.071 16.130 0.581 336 HE1 MET 42 3HE MET 42 13.914 18.967 3.146 337 HE2 MET 42 1HE MET 42 13.985 18.455 1.460 338 HE3 MET 42 2HE MET 42 14.938 17.609 2.679 339 H ASN 43 H ASN 43 10.597 13.799 -1.094 340 HA ASN 43 HA ASN 43 11.320 16.083 -2.665 341 HB2 ASN 43 2HB ASN 43 10.669 13.239 -3.423 342 HB3 ASN 43 1HB ASN 43 11.011 14.481 -4.622 343 HD21 ASN 43 1HD2 ASN 43 13.101 15.264 -4.815 344 HD22 ASN 43 2HD2 ASN 43 14.446 14.457 -4.074 345 H TYR 44 H TYR 44 8.421 14.855 -1.559 346 HA TYR 44 HA TYR 44 6.275 15.384 -1.805 347 HB2 TYR 44 2HB TYR 44 7.243 17.701 -1.622 348 HB3 TYR 44 1HB TYR 44 7.259 17.793 -3.376 349 HD1 TYR 44 1HD TYR 44 4.886 17.118 -0.563 350 HD2 TYR 44 2HD TYR 44 5.430 18.819 -4.428 351 HE1 TYR 44 1HE TYR 44 2.585 17.980 -0.503 352 HE2 TYR 44 2HE TYR 44 3.127 19.682 -4.376 353 HH TYR 44 HH TYR 44 1.262 19.772 -1.553 354 H ILE 45 H ILE 45 7.632 13.744 -3.741 355 HA ILE 45 HA ILE 45 6.327 14.245 -6.232 356 HB ILE 45 HB ILE 45 7.234 11.976 -6.938 357 HG12 ILE 45 2HG1 ILE 45 8.734 12.221 -4.312 358 HG13 ILE 45 1HG1 ILE 45 7.469 11.048 -4.672 359 HG21 ILE 45 1HG2 ILE 45 9.534 12.825 -7.183 360 HG22 ILE 45 2HG2 ILE 45 9.169 14.095 -6.016 361 HG23 ILE 45 3HG2 ILE 45 8.319 14.047 -7.560 362 HD11 ILE 45 3HD1 ILE 45 9.699 10.055 -4.819 363 HD12 ILE 45 1HD1 ILE 45 10.146 11.238 -6.048 364 HD13 ILE 45 2HD1 ILE 45 8.893 10.044 -6.388 365 H ARG 46 H ARG 46 4.272 14.344 -5.879 366 HA ARG 46 HA ARG 46 2.773 12.508 -4.352 367 HB2 ARG 46 2HB ARG 46 2.087 14.886 -4.915 368 HB3 ARG 46 1HB ARG 46 1.682 14.313 -6.526 369 HG2 ARG 46 2HG ARG 46 0.066 12.714 -5.482 370 HG3 ARG 46 1HG ARG 46 0.416 13.467 -3.929 371 HD2 ARG 46 2HD ARG 46 -0.349 15.651 -4.901 372 HD3 ARG 46 1HD ARG 46 -0.850 14.771 -6.346 373 HE ARG 46 HE ARG 46 -1.958 14.193 -3.658 374 HH11 ARG 46 1HH1 ARG 46 -2.600 14.739 -7.128 375 HH12 ARG 46 2HH1 ARG 46 -4.285 14.461 -6.926 376 HH21 ARG 46 1HH2 ARG 46 -4.218 13.889 -3.483 377 HH22 ARG 46 2HH2 ARG 46 -5.229 13.897 -4.793 378 H ILE 47 H ILE 47 1.800 10.709 -4.866 379 HA ILE 47 HA ILE 47 2.264 9.557 -7.450 380 HB ILE 47 HB ILE 47 0.757 8.358 -5.094 381 HG12 ILE 47 2HG1 ILE 47 3.689 8.078 -5.840 382 HG13 ILE 47 1HG1 ILE 47 3.074 9.016 -4.486 383 HG21 ILE 47 1HG2 ILE 47 0.355 7.324 -7.282 384 HG22 ILE 47 2HG2 ILE 47 1.242 6.229 -6.215 385 HG23 ILE 47 3HG2 ILE 47 2.088 7.098 -7.503 386 HD11 ILE 47 3HD1 ILE 47 2.205 6.943 -3.492 387 HD12 ILE 47 1HD1 ILE 47 3.955 6.923 -3.731 388 HD13 ILE 47 2HD1 ILE 47 2.913 6.049 -4.842 389 H LEU 48 H LEU 48 0.747 9.261 -8.942 390 HA LEU 48 HA LEU 48 -1.499 10.980 -8.656 391 HB2 LEU 48 2HB LEU 48 -0.250 9.676 -11.023 392 HB3 LEU 48 1HB LEU 48 -1.883 10.305 -11.133 393 HG LEU 48 HG LEU 48 -0.987 12.459 -10.297 394 HD11 LEU 48 1HD1 LEU 48 1.414 12.950 -10.691 395 HD12 LEU 48 2HD1 LEU 48 1.682 11.237 -11.014 396 HD13 LEU 48 3HD1 LEU 48 1.158 11.760 -9.413 397 HD21 LEU 48 3HD2 LEU 48 -0.063 11.473 -12.990 398 HD22 LEU 48 1HD2 LEU 48 -0.170 13.171 -12.529 399 HD23 LEU 48 2HD2 LEU 48 -1.629 12.183 -12.596 400 HA PRO 49 HA PRO 49 -4.660 8.075 -7.758 401 HB2 PRO 49 2HB PRO 49 -6.111 9.801 -9.734 402 HB3 PRO 49 1HB PRO 49 -6.630 9.282 -8.112 403 HG2 PRO 49 2HG PRO 49 -5.806 11.735 -8.372 404 HG3 PRO 49 1HG PRO 49 -5.190 10.769 -7.026 405 HD2 PRO 49 2HD PRO 49 -3.811 11.472 -9.542 406 HD3 PRO 49 1HD PRO 49 -3.226 11.415 -7.863 407 H GLY 50 H GLY 50 -4.810 6.165 -8.663 408 HA2 GLY 50 2HA GLY 50 -5.549 4.719 -10.430 409 HA3 GLY 50 1HA GLY 50 -5.036 5.942 -11.587 410 H ASP 51 H ASP 51 -2.545 6.114 -9.613 411 HA ASP 51 HA ASP 51 -0.987 4.311 -11.264 412 HB2 ASP 51 2HB ASP 51 -0.245 6.753 -10.564 413 HB3 ASP 51 1HB ASP 51 0.104 5.924 -9.034 414 H LYS 52 H LYS 52 0.602 3.061 -10.227 415 HA LYS 52 HA LYS 52 -0.643 1.474 -8.055 416 HB2 LYS 52 2HB LYS 52 1.691 0.776 -9.801 417 HB3 LYS 52 1HB LYS 52 1.061 -0.208 -8.512 418 HG2 LYS 52 2HG LYS 52 -0.968 -0.586 -9.819 419 HG3 LYS 52 1HG LYS 52 -0.292 0.419 -11.127 420 HD2 LYS 52 2HD LYS 52 1.687 -0.983 -11.213 421 HD3 LYS 52 1HD LYS 52 1.065 -1.973 -9.910 422 HE2 LYS 52 2HE LYS 52 -0.716 -2.761 -11.359 423 HE3 LYS 52 1HE LYS 52 -0.135 -1.706 -12.659 424 HZ1 LYS 52 3HZ LYS 52 0.753 -4.007 -12.872 425 HZ2 LYS 52 1HZ LYS 52 1.462 -3.818 -11.340 426 HZ3 LYS 52 2HZ LYS 52 1.969 -2.855 -12.651 427 H VAL 53 H VAL 53 0.486 1.036 -6.237 428 HA VAL 53 HA VAL 53 3.126 2.279 -6.015 429 HB VAL 53 HB VAL 53 2.819 2.688 -3.700 430 HG11 VAL 53 1HG1 VAL 53 1.099 4.445 -3.745 431 HG12 VAL 53 2HG1 VAL 53 0.379 3.687 -5.166 432 HG13 VAL 53 3HG1 VAL 53 1.990 4.385 -5.276 433 HG21 VAL 53 3HG2 VAL 53 0.642 2.314 -2.533 434 HG22 VAL 53 1HG2 VAL 53 1.424 0.818 -3.055 435 HG23 VAL 53 2HG2 VAL 53 0.072 1.468 -3.978 436 H THR 54 H THR 54 4.595 1.174 -4.638 437 HA THR 54 HA THR 54 3.988 -1.661 -4.354 438 HB THR 54 HB THR 54 6.599 -0.206 -3.927 439 HG1 THR 54 1HG THR 54 5.355 -1.203 -6.253 440 HG21 THR 54 3HG2 THR 54 6.461 -2.459 -2.956 441 HG22 THR 54 1HG2 THR 54 7.585 -2.442 -4.316 442 HG23 THR 54 2HG2 THR 54 5.965 -3.111 -4.518 443 H VAL 55 H VAL 55 3.209 -2.123 -2.408 444 HA VAL 55 HA VAL 55 3.957 -0.376 -0.185 445 HB VAL 55 HB VAL 55 1.584 -0.095 -0.804 446 HG11 VAL 55 1HG1 VAL 55 1.240 -3.021 -0.176 447 HG12 VAL 55 2HG1 VAL 55 1.071 -2.270 -1.760 448 HG13 VAL 55 3HG1 VAL 55 -0.061 -1.878 -0.466 449 HG21 VAL 55 3HG2 VAL 55 2.202 0.205 1.508 450 HG22 VAL 55 1HG2 VAL 55 1.979 -1.515 1.811 451 HG23 VAL 55 2HG2 VAL 55 0.587 -0.505 1.406 452 H GLU 56 H GLU 56 5.066 -1.291 1.386 453 HA GLU 56 HA GLU 56 4.893 -4.182 1.432 454 HB2 GLU 56 2HB GLU 56 6.937 -4.276 2.803 455 HB3 GLU 56 1HB GLU 56 7.217 -3.365 1.344 456 HG2 GLU 56 2HG GLU 56 6.527 -1.904 3.824 457 HG3 GLU 56 1HG GLU 56 8.130 -2.611 3.667 458 H MET 57 H MET 57 4.095 -5.271 3.025 459 HA MET 57 HA MET 57 3.218 -3.866 5.394 460 HB2 MET 57 2HB MET 57 0.889 -4.784 5.078 461 HB3 MET 57 1HB MET 57 1.347 -3.382 4.115 462 HG2 MET 57 2HG MET 57 1.644 -4.807 2.202 463 HG3 MET 57 1HG MET 57 1.329 -6.237 3.198 464 HE1 MET 57 3HE MET 57 -0.522 -2.768 3.433 465 HE2 MET 57 1HE MET 57 -1.821 -3.009 2.273 466 HE3 MET 57 2HE MET 57 -0.149 -2.937 1.717 467 H SER 58 H SER 58 2.447 -5.182 7.074 468 HA SER 58 HA SER 58 3.807 -7.589 7.324 469 HB2 SER 58 2HB SER 58 2.352 -7.258 9.523 470 HB3 SER 58 1HB SER 58 3.782 -6.265 9.162 471 HG SER 58 HG SER 58 1.343 -5.399 9.558 472 HA PRO 59 HA PRO 59 0.519 -10.272 5.976 473 HB2 PRO 59 2HB PRO 59 1.151 -12.443 7.675 474 HB3 PRO 59 1HB PRO 59 1.738 -12.185 6.024 475 HG2 PRO 59 2HG PRO 59 3.232 -12.044 8.429 476 HG3 PRO 59 1HG PRO 59 3.780 -11.768 6.778 477 HD2 PRO 59 2HD PRO 59 3.291 -9.818 8.853 478 HD3 PRO 59 1HD PRO 59 4.034 -9.610 7.258 479 H TYR 60 H TYR 60 0.783 -9.287 9.183 480 HA TYR 60 HA TYR 60 -1.608 -10.656 10.099 481 HB2 TYR 60 2HB TYR 60 0.294 -10.430 11.632 482 HB3 TYR 60 1HB TYR 60 0.248 -8.683 11.459 483 HD1 TYR 60 1HD TYR 60 -1.698 -11.589 12.723 484 HD2 TYR 60 2HD TYR 60 -1.080 -7.382 12.902 485 HE1 TYR 60 1HE TYR 60 -3.200 -11.453 14.665 486 HE2 TYR 60 2HE TYR 60 -2.579 -7.236 14.841 487 HH TYR 60 HH TYR 60 -4.408 -8.505 15.815 488 H ASP 61 H ASP 61 -0.764 -7.772 8.526 489 HA ASP 61 HA ASP 61 -3.128 -6.379 9.550 490 HB2 ASP 61 2HB ASP 61 -0.701 -5.297 8.115 491 HB3 ASP 61 1HB ASP 61 -2.117 -4.340 8.514 492 H LEU 62 H LEU 62 -1.342 -6.140 6.536 493 HA LEU 62 HA LEU 62 -1.968 -5.775 4.401 494 HB2 LEU 62 2HB LEU 62 -2.549 -8.244 4.759 495 HB3 LEU 62 1HB LEU 62 -4.204 -7.753 5.011 496 HG LEU 62 HG LEU 62 -2.984 -6.971 2.394 497 HD11 LEU 62 1HD1 LEU 62 -2.129 -9.250 2.724 498 HD12 LEU 62 2HD1 LEU 62 -3.377 -9.216 1.479 499 HD13 LEU 62 3HD1 LEU 62 -3.759 -9.811 3.095 500 HD21 LEU 62 3HD2 LEU 62 -5.347 -6.495 2.939 501 HD22 LEU 62 1HD2 LEU 62 -5.632 -8.220 3.170 502 HD23 LEU 62 2HD2 LEU 62 -5.202 -7.605 1.575 503 H THR 63 H THR 63 -3.235 -4.312 6.671 504 HA THR 63 HA THR 63 -5.285 -2.969 5.083 505 HB THR 63 HB THR 63 -6.264 -4.212 7.014 506 HG1 THR 63 1HG THR 63 -6.419 -1.376 7.089 507 HG21 THR 63 3HG2 THR 63 -4.678 -2.246 8.691 508 HG22 THR 63 1HG2 THR 63 -4.416 -3.988 8.619 509 HG23 THR 63 2HG2 THR 63 -5.909 -3.349 9.308 510 H ARG 64 H ARG 64 -2.249 -2.775 6.236 511 HA ARG 64 HA ARG 64 -2.156 0.103 6.259 512 HB2 ARG 64 2HB ARG 64 -2.502 -0.618 8.645 513 HB3 ARG 64 1HB ARG 64 -1.083 -1.638 8.511 514 HG2 ARG 64 2HG ARG 64 -0.559 0.402 9.707 515 HG3 ARG 64 1HG ARG 64 0.304 0.363 8.169 516 HD2 ARG 64 2HD ARG 64 -1.354 1.836 7.177 517 HD3 ARG 64 1HD ARG 64 -2.279 1.834 8.677 518 HE ARG 64 HE ARG 64 0.095 2.697 9.481 519 HH11 ARG 64 1HH1 ARG 64 -1.843 3.689 6.701 520 HH12 ARG 64 2HH1 ARG 64 -1.470 5.350 6.800 521 HH21 ARG 64 1HH2 ARG 64 0.663 5.033 9.626 522 HH22 ARG 64 2HH2 ARG 64 -0.023 6.114 8.487 523 H GLY 65 H GLY 65 0.006 0.735 5.552 524 HA2 GLY 65 2HA GLY 65 2.104 -1.196 5.378 525 HA3 GLY 65 1HA GLY 65 1.296 -0.927 3.851 526 H ARG 66 H ARG 66 3.676 -0.185 3.489 527 HA ARG 66 HA ARG 66 3.647 2.727 3.747 528 HB2 ARG 66 2HB ARG 66 5.272 1.890 5.363 529 HB3 ARG 66 1HB ARG 66 6.027 0.896 4.121 530 HG2 ARG 66 2HG ARG 66 6.465 3.038 2.862 531 HG3 ARG 66 1HG ARG 66 6.001 3.885 4.331 532 HD2 ARG 66 2HD ARG 66 8.328 3.620 3.979 533 HD3 ARG 66 1HD ARG 66 7.809 2.893 5.531 534 HE ARG 66 HE ARG 66 7.933 1.071 3.286 535 HH11 ARG 66 1HH1 ARG 66 9.826 2.374 5.979 536 HH12 ARG 66 2HH1 ARG 66 11.089 1.229 5.855 537 HH21 ARG 66 1HH2 ARG 66 9.649 -0.455 3.060 538 HH22 ARG 66 2HH2 ARG 66 10.984 -0.483 4.112 539 H ILE 67 H ILE 67 4.578 3.803 1.989 540 HA ILE 67 HA ILE 67 4.962 2.194 -0.407 541 HB ILE 67 HB ILE 67 4.461 5.123 -0.036 542 HG12 ILE 67 2HG1 ILE 67 2.627 4.536 -1.766 543 HG13 ILE 67 1HG1 ILE 67 3.062 2.873 -1.332 544 HG21 ILE 67 1HG2 ILE 67 5.234 3.776 -2.611 545 HG22 ILE 67 2HG2 ILE 67 6.195 4.899 -1.655 546 HG23 ILE 67 3HG2 ILE 67 4.707 5.467 -2.438 547 HD11 ILE 67 3HD1 ILE 67 1.120 3.616 -0.059 548 HD12 ILE 67 1HD1 ILE 67 2.067 4.975 0.570 549 HD13 ILE 67 2HD1 ILE 67 2.534 3.339 0.978 550 H THR 68 H THR 68 6.877 1.680 -0.973 551 HA THR 68 HA THR 68 9.057 3.577 -0.479 552 HB THR 68 HB THR 68 10.496 1.500 -1.049 553 HG1 THR 68 1HG THR 68 8.724 -0.186 0.056 554 HG21 THR 68 3HG2 THR 68 8.854 1.704 1.435 555 HG22 THR 68 1HG2 THR 68 10.378 2.548 1.153 556 HG23 THR 68 2HG2 THR 68 10.343 0.776 1.305 557 H TYR 69 H TYR 69 7.251 1.935 -3.046 558 HA TYR 69 HA TYR 69 8.801 3.349 -4.989 559 HB2 TYR 69 2HB TYR 69 8.256 0.487 -4.673 560 HB3 TYR 69 1HB TYR 69 8.349 1.191 -6.267 561 HD1 TYR 69 1HD TYR 69 10.566 2.417 -6.840 562 HD2 TYR 69 2HD TYR 69 10.172 -0.110 -3.444 563 HE1 TYR 69 1HE TYR 69 13.009 2.296 -6.655 564 HE2 TYR 69 2HE TYR 69 12.618 -0.240 -3.250 565 HH TYR 69 HH TYR 69 14.609 0.073 -4.708 566 H ARG 70 H ARG 70 7.658 3.100 -7.105 567 HA ARG 70 HA ARG 70 4.760 3.004 -6.844 568 HB2 ARG 70 2HB ARG 70 6.472 4.718 -8.688 569 HB3 ARG 70 1HB ARG 70 4.717 4.622 -8.751 570 HG2 ARG 70 2HG ARG 70 4.545 5.613 -6.551 571 HG3 ARG 70 1HG ARG 70 6.299 5.619 -6.391 572 HD2 ARG 70 2HD ARG 70 5.521 7.834 -6.974 573 HD3 ARG 70 1HD ARG 70 6.449 7.158 -8.304 574 HE ARG 70 HE ARG 70 3.964 6.535 -9.064 575 HH11 ARG 70 1HH1 ARG 70 5.124 9.595 -7.714 576 HH12 ARG 70 2HH1 ARG 70 4.066 10.564 -8.617 577 HH21 ARG 70 1HH2 ARG 70 2.625 7.738 -10.275 578 HH22 ARG 70 2HH2 ARG 70 2.591 9.470 -10.273 579 H TYR 71 H TYR 71 3.861 1.613 -8.289 580 HA TYR 71 HA TYR 71 5.818 -0.025 -9.761 581 HB2 TYR 71 2HB TYR 71 4.275 -0.937 -7.811 582 HB3 TYR 71 1HB TYR 71 3.048 -0.960 -9.063 583 HD1 TYR 71 2HD TYR 71 3.815 -2.235 -11.305 584 HD2 TYR 71 1HD TYR 71 5.521 -2.838 -7.458 585 HE1 TYR 71 2HE TYR 71 4.613 -4.447 -12.013 586 HE2 TYR 71 1HE TYR 71 6.329 -5.050 -8.160 587 HH TYR 71 HH TYR 71 5.597 -6.760 -9.908 588 H LYS 72 H LYS 72 5.232 -0.682 -11.913 589 HA LYS 72 HA LYS 72 3.317 1.122 -13.146 590 HB2 LYS 72 2HB LYS 72 5.630 -0.397 -14.286 591 HB3 LYS 72 1HB LYS 72 4.414 0.376 -15.288 592 HG2 LYS 72 2HG LYS 72 6.039 1.879 -13.242 593 HG3 LYS 72 1HG LYS 72 6.567 1.662 -14.903 594 HD2 LYS 72 2HD LYS 72 5.555 3.712 -15.127 595 HD3 LYS 72 1HD LYS 72 4.157 2.700 -15.414 596 HE2 LYS 72 2HE LYS 72 4.832 3.928 -12.717 597 HE3 LYS 72 1HE LYS 72 3.813 4.715 -13.903 598 HZ1 LYS 72 3HZ LYS 72 3.203 2.367 -12.200 599 HZ2 LYS 72 1HZ LYS 72 2.322 2.608 -13.638 600 HZ3 LYS 72 2HZ LYS 72 2.384 3.745 -12.415 Start of MODEL 9 1 H1 MET 1 1HT MET 1 10.650 -3.097 -0.079 2 H2 MET 1 2HT MET 1 10.304 -3.400 1.569 3 H3 MET 1 3HT MET 1 10.083 -4.608 0.403 4 HA MET 1 HA MET 1 12.256 -4.934 0.010 5 HB2 MET 1 2HB MET 1 13.003 -2.563 0.205 6 HB3 MET 1 1HB MET 1 12.830 -2.676 1.949 7 HG2 MET 1 2HG MET 1 14.584 -4.374 2.026 8 HG3 MET 1 1HG MET 1 14.742 -4.298 0.274 9 HE1 MET 1 2HE MET 1 15.879 -0.852 3.144 10 HE2 MET 1 3HE MET 1 15.273 -2.420 3.676 11 HE3 MET 1 1HE MET 1 14.204 -1.302 2.828 12 H ALA 2 H ALA 2 11.005 -6.634 0.996 13 HA ALA 2 HA ALA 2 12.215 -7.553 3.440 14 HB1 ALA 2 1HB ALA 2 9.236 -7.069 3.197 15 HB2 ALA 2 2HB ALA 2 10.331 -6.252 4.315 16 HB3 ALA 2 3HB ALA 2 10.010 -7.981 4.495 17 H LYS 3 H LYS 3 10.736 -9.825 3.782 18 HA LYS 3 HA LYS 3 9.956 -10.753 1.154 19 HB2 LYS 3 2HB LYS 3 12.273 -11.959 2.598 20 HB3 LYS 3 1HB LYS 3 11.256 -13.001 1.629 21 HG2 LYS 3 2HG LYS 3 12.500 -10.515 0.468 22 HG3 LYS 3 1HG LYS 3 13.404 -12.019 0.580 23 HD2 LYS 3 2HD LYS 3 12.488 -11.882 -1.646 24 HD3 LYS 3 1HD LYS 3 11.598 -13.124 -0.788 25 HE2 LYS 3 2HE LYS 3 10.143 -11.763 -2.193 26 HE3 LYS 3 1HE LYS 3 9.688 -11.560 -0.516 27 HZ1 LYS 3 3HZ LYS 3 9.740 -9.361 -1.566 28 HZ2 LYS 3 1HZ LYS 3 11.283 -9.638 -2.175 29 HZ3 LYS 3 2HZ LYS 3 10.971 -9.463 -0.527 30 H GLN 4 H GLN 4 10.381 -12.067 4.420 31 HA GLN 4 HA GLN 4 7.682 -13.259 4.127 32 HB2 GLN 4 2HB GLN 4 10.084 -14.542 5.455 33 HB3 GLN 4 1HB GLN 4 8.455 -15.198 5.480 34 HG2 GLN 4 2HG GLN 4 8.516 -15.460 3.053 35 HG3 GLN 4 1HG GLN 4 10.136 -14.770 3.017 36 HE21 GLN 4 1HE2 GLN 4 8.224 -17.527 3.870 37 HE22 GLN 4 2HE2 GLN 4 9.562 -18.611 4.083 38 H ASP 5 H ASP 5 9.766 -11.331 5.798 39 HA ASP 5 HA ASP 5 8.726 -11.524 8.435 40 HB2 ASP 5 2HB ASP 5 10.249 -9.507 8.696 41 HB3 ASP 5 1HB ASP 5 11.055 -10.964 8.125 42 H VAL 6 H VAL 6 8.635 -9.403 5.784 43 HA VAL 6 HA VAL 6 6.073 -8.285 6.649 44 HB VAL 6 HB VAL 6 8.307 -6.779 5.198 45 HG11 VAL 6 1HG1 VAL 6 6.127 -5.992 4.510 46 HG12 VAL 6 2HG1 VAL 6 6.937 -4.777 5.503 47 HG13 VAL 6 3HG1 VAL 6 5.656 -5.773 6.194 48 HG21 VAL 6 3HG2 VAL 6 8.514 -5.400 7.216 49 HG22 VAL 6 1HG2 VAL 6 8.896 -7.092 7.538 50 HG23 VAL 6 2HG2 VAL 6 7.338 -6.429 8.034 51 H ILE 7 H ILE 7 4.631 -7.981 4.846 52 HA ILE 7 HA ILE 7 5.417 -9.654 2.578 53 HB ILE 7 HB ILE 7 2.646 -8.925 3.591 54 HG12 ILE 7 2HG1 ILE 7 3.748 -10.458 5.132 55 HG13 ILE 7 1HG1 ILE 7 2.458 -11.283 4.273 56 HG21 ILE 7 1HG2 ILE 7 3.437 -10.851 1.405 57 HG22 ILE 7 2HG2 ILE 7 2.660 -9.288 1.177 58 HG23 ILE 7 3HG2 ILE 7 1.798 -10.588 2.003 59 HD11 ILE 7 3HD1 ILE 7 4.128 -12.331 2.805 60 HD12 ILE 7 1HD1 ILE 7 4.402 -12.712 4.506 61 HD13 ILE 7 2HD1 ILE 7 5.411 -11.514 3.701 62 H GLU 8 H GLU 8 5.403 -8.805 0.608 63 HA GLU 8 HA GLU 8 4.858 -5.948 0.403 64 HB2 GLU 8 2HB GLU 8 6.436 -7.752 -1.445 65 HB3 GLU 8 1HB GLU 8 6.386 -5.993 -1.471 66 HG2 GLU 8 2HG GLU 8 7.513 -5.887 0.669 67 HG3 GLU 8 1HG GLU 8 7.483 -7.642 0.798 68 H LEU 9 H LEU 9 3.012 -5.488 -0.499 69 HA LEU 9 HA LEU 9 1.879 -7.222 -2.581 70 HB2 LEU 9 2HB LEU 9 0.351 -5.762 -0.411 71 HB3 LEU 9 1HB LEU 9 -0.374 -6.600 -1.760 72 HG LEU 9 HG LEU 9 1.091 -7.839 0.575 73 HD11 LEU 9 1HD1 LEU 9 -1.063 -8.869 1.026 74 HD12 LEU 9 2HD1 LEU 9 -1.768 -7.995 -0.334 75 HD13 LEU 9 3HD1 LEU 9 -1.156 -7.110 1.065 76 HD21 LEU 9 3HD2 LEU 9 -0.093 -9.175 -1.869 77 HD22 LEU 9 1HD2 LEU 9 0.527 -10.006 -0.443 78 HD23 LEU 9 2HD2 LEU 9 1.623 -9.084 -1.466 79 H GLU 10 H GLU 10 0.426 -5.945 -4.020 80 HA GLU 10 HA GLU 10 1.255 -3.164 -3.909 81 HB2 GLU 10 2HB GLU 10 0.770 -4.761 -6.404 82 HB3 GLU 10 1HB GLU 10 1.209 -3.063 -6.332 83 HG2 GLU 10 2HG GLU 10 3.285 -3.961 -5.025 84 HG3 GLU 10 1HG GLU 10 2.861 -5.474 -5.816 85 H GLY 11 H GLY 11 -0.184 -1.722 -5.105 86 HA2 GLY 11 2HA GLY 11 -2.893 -2.552 -5.480 87 HA3 GLY 11 1HA GLY 11 -2.659 -1.575 -4.033 88 H THR 12 H THR 12 -4.265 -0.468 -5.646 89 HA THR 12 HA THR 12 -2.718 1.476 -7.214 90 HB THR 12 HB THR 12 -5.623 0.742 -7.459 91 HG1 THR 12 1HG THR 12 -3.619 -0.748 -8.098 92 HG21 THR 12 3HG2 THR 12 -3.764 2.261 -9.312 93 HG22 THR 12 1HG2 THR 12 -5.023 2.973 -8.306 94 HG23 THR 12 2HG2 THR 12 -5.461 1.903 -9.641 95 H VAL 13 H VAL 13 -2.873 3.511 -6.480 96 HA VAL 13 HA VAL 13 -4.559 3.935 -4.159 97 HB VAL 13 HB VAL 13 -2.354 4.659 -3.727 98 HG11 VAL 13 1HG1 VAL 13 -2.481 6.184 -6.291 99 HG12 VAL 13 2HG1 VAL 13 -1.550 4.710 -5.911 100 HG13 VAL 13 3HG1 VAL 13 -1.172 6.226 -5.092 101 HG21 VAL 13 3HG2 VAL 13 -2.552 7.070 -3.313 102 HG22 VAL 13 1HG2 VAL 13 -4.052 6.231 -2.897 103 HG23 VAL 13 2HG2 VAL 13 -3.944 7.135 -4.398 104 H LEU 14 H LEU 14 -6.257 5.059 -4.019 105 HA LEU 14 HA LEU 14 -7.217 6.302 -6.484 106 HB2 LEU 14 2HB LEU 14 -8.792 5.222 -4.159 107 HB3 LEU 14 1HB LEU 14 -9.474 5.968 -5.588 108 HG LEU 14 HG LEU 14 -7.954 3.360 -5.491 109 HD11 LEU 14 1HD1 LEU 14 -10.858 3.958 -6.006 110 HD12 LEU 14 2HD1 LEU 14 -10.182 3.204 -4.561 111 HD13 LEU 14 3HD1 LEU 14 -10.095 2.372 -6.114 112 HD21 LEU 14 3HD2 LEU 14 -7.505 4.505 -7.595 113 HD22 LEU 14 1HD2 LEU 14 -9.234 4.778 -7.834 114 HD23 LEU 14 2HD2 LEU 14 -8.586 3.139 -7.862 115 H ASP 15 H ASP 15 -6.638 6.900 -3.072 116 HA ASP 15 HA ASP 15 -7.797 9.598 -3.427 117 HB2 ASP 15 2HB ASP 15 -7.882 7.927 -0.933 118 HB3 ASP 15 1HB ASP 15 -8.585 9.522 -1.128 119 H THR 16 H THR 16 -6.795 11.236 -2.314 120 HA THR 16 HA THR 16 -4.071 10.746 -1.390 121 HB THR 16 HB THR 16 -4.021 13.295 -1.526 122 HG1 THR 16 1HG THR 16 -6.366 13.403 -1.511 123 HG21 THR 16 3HG2 THR 16 -4.664 11.786 -4.056 124 HG22 THR 16 1HG2 THR 16 -3.075 11.860 -3.297 125 HG23 THR 16 2HG2 THR 16 -3.801 13.323 -3.967 126 H LEU 17 H LEU 17 -3.725 10.768 0.807 127 HA LEU 17 HA LEU 17 -5.844 11.933 2.431 128 HB2 LEU 17 2HB LEU 17 -3.889 9.751 3.112 129 HB3 LEU 17 1HB LEU 17 -5.100 10.377 4.213 130 HG LEU 17 HG LEU 17 -5.518 8.615 1.765 131 HD11 LEU 17 1HD1 LEU 17 -6.157 8.238 4.653 132 HD12 LEU 17 2HD1 LEU 17 -4.818 7.515 3.756 133 HD13 LEU 17 3HD1 LEU 17 -6.483 7.123 3.323 134 HD21 LEU 17 3HD2 LEU 17 -7.915 8.769 2.210 135 HD22 LEU 17 1HD2 LEU 17 -7.276 10.356 1.786 136 HD23 LEU 17 2HD2 LEU 17 -7.625 9.970 3.470 137 HA PRO 18 HA PRO 18 -2.933 14.877 4.028 138 HB2 PRO 18 2HB PRO 18 -3.780 15.011 6.643 139 HB3 PRO 18 1HB PRO 18 -4.609 15.832 5.302 140 HG2 PRO 18 2HG PRO 18 -5.292 13.263 6.625 141 HG3 PRO 18 1HG PRO 18 -6.360 14.568 6.067 142 HD2 PRO 18 2HD PRO 18 -6.065 12.327 4.647 143 HD3 PRO 18 1HD PRO 18 -6.267 13.910 3.867 144 H ASN 19 H ASN 19 -1.074 15.027 5.245 145 HA ASN 19 HA ASN 19 0.683 14.510 6.579 146 HB2 ASN 19 2HB ASN 19 -1.193 12.454 7.765 147 HB3 ASN 19 1HB ASN 19 0.437 12.727 8.363 148 HD21 ASN 19 1HD2 ASN 19 0.870 14.580 9.544 149 HD22 ASN 19 2HD2 ASN 19 -0.399 15.616 10.108 150 H ALA 20 H ALA 20 0.299 13.295 3.980 151 HA ALA 20 HA ALA 20 1.549 12.040 2.551 152 HB1 ALA 20 1HB ALA 20 3.711 11.115 3.264 153 HB2 ALA 20 2HB ALA 20 3.280 11.378 4.952 154 HB3 ALA 20 3HB ALA 20 3.511 12.758 3.879 155 H MET 21 H MET 21 -0.722 11.029 3.910 156 HA MET 21 HA MET 21 -0.200 8.136 3.936 157 HB2 MET 21 2HB MET 21 -1.566 9.658 5.811 158 HB3 MET 21 1HB MET 21 -2.812 9.231 4.636 159 HG2 MET 21 2HG MET 21 -2.888 7.679 6.419 160 HG3 MET 21 1HG MET 21 -2.335 6.875 4.951 161 HE1 MET 21 3HE MET 21 -1.560 4.827 6.483 162 HE2 MET 21 1HE MET 21 -2.080 5.695 7.928 163 HE3 MET 21 2HE MET 21 -0.464 4.994 7.855 164 H PHE 22 H PHE 22 -1.792 6.974 2.664 165 HA PHE 22 HA PHE 22 -3.396 8.537 0.783 166 HB2 PHE 22 2HB PHE 22 -1.248 6.586 -0.094 167 HB3 PHE 22 1HB PHE 22 -2.560 7.103 -1.141 168 HD1 PHE 22 1HD PHE 22 0.535 8.111 0.530 169 HD2 PHE 22 2HD PHE 22 -2.580 9.321 -2.088 170 HE1 PHE 22 1HE PHE 22 1.869 10.063 -0.144 171 HE2 PHE 22 2HE PHE 22 -1.243 11.280 -2.767 172 HZ PHE 22 HZ PHE 22 0.974 11.649 -1.793 173 H LYS 23 H LYS 23 -5.072 7.265 -0.272 174 HA LYS 23 HA LYS 23 -5.548 4.825 1.262 175 HB2 LYS 23 2HB LYS 23 -7.458 6.623 0.836 176 HB3 LYS 23 1HB LYS 23 -7.554 5.829 -0.741 177 HG2 LYS 23 2HG LYS 23 -7.593 3.638 0.710 178 HG3 LYS 23 1HG LYS 23 -8.151 4.727 1.965 179 HD2 LYS 23 2HD LYS 23 -10.122 3.884 1.046 180 HD3 LYS 23 1HD LYS 23 -9.941 5.441 0.236 181 HE2 LYS 23 2HE LYS 23 -9.145 4.415 -1.756 182 HE3 LYS 23 1HE LYS 23 -8.915 2.863 -0.957 183 HZ1 LYS 23 3HZ LYS 23 -11.486 4.154 -1.695 184 HZ2 LYS 23 1HZ LYS 23 -11.381 2.829 -0.626 185 HZ3 LYS 23 2HZ LYS 23 -10.860 2.627 -2.181 186 H VAL 24 H VAL 24 -4.722 3.241 0.403 187 HA VAL 24 HA VAL 24 -4.522 3.094 -2.552 188 HB VAL 24 HB VAL 24 -2.802 1.534 -0.609 189 HG11 VAL 24 1HG1 VAL 24 -2.451 2.082 -3.526 190 HG12 VAL 24 2HG1 VAL 24 -2.943 0.562 -2.784 191 HG13 VAL 24 3HG1 VAL 24 -1.323 1.200 -2.497 192 HG21 VAL 24 3HG2 VAL 24 -2.297 3.852 -0.177 193 HG22 VAL 24 1HG2 VAL 24 -2.111 4.177 -1.899 194 HG23 VAL 24 2HG2 VAL 24 -0.967 3.126 -1.078 195 H GLU 25 H GLU 25 -5.503 1.471 -3.527 196 HA GLU 25 HA GLU 25 -6.850 -0.339 -1.720 197 HB2 GLU 25 2HB GLU 25 -8.129 1.362 -3.144 198 HB3 GLU 25 1HB GLU 25 -7.671 0.374 -4.518 199 HG2 GLU 25 2HG GLU 25 -8.962 -1.440 -3.770 200 HG3 GLU 25 1HG GLU 25 -9.147 -0.752 -2.163 201 H LEU 26 H LEU 26 -5.897 -2.157 -1.659 202 HA LEU 26 HA LEU 26 -3.932 -3.118 -3.410 203 HB2 LEU 26 2HB LEU 26 -5.747 -4.713 -1.608 204 HB3 LEU 26 1HB LEU 26 -4.300 -5.299 -2.402 205 HG LEU 26 HG LEU 26 -4.376 -3.167 -0.260 206 HD11 LEU 26 1HD1 LEU 26 -3.354 -4.867 1.160 207 HD12 LEU 26 2HD1 LEU 26 -3.481 -6.045 -0.143 208 HD13 LEU 26 3HD1 LEU 26 -4.941 -5.395 0.599 209 HD21 LEU 26 3HD2 LEU 26 -1.939 -3.480 -0.244 210 HD22 LEU 26 1HD2 LEU 26 -2.518 -2.848 -1.787 211 HD23 LEU 26 2HD2 LEU 26 -2.083 -4.550 -1.638 212 H GLU 27 H GLU 27 -3.986 -4.536 -5.039 213 HA GLU 27 HA GLU 27 -6.319 -4.607 -6.626 214 HB2 GLU 27 2HB GLU 27 -4.891 -6.079 -8.126 215 HB3 GLU 27 1HB GLU 27 -4.260 -4.481 -7.773 216 HG2 GLU 27 2HG GLU 27 -3.032 -5.848 -5.825 217 HG3 GLU 27 1HG GLU 27 -3.232 -7.143 -7.004 218 H ASN 28 H ASN 28 -5.522 -6.336 -4.025 219 HA ASN 28 HA ASN 28 -6.928 -8.800 -4.720 220 HB2 ASN 28 2HB ASN 28 -4.841 -8.620 -3.174 221 HB3 ASN 28 1HB ASN 28 -5.959 -8.022 -1.961 222 HD21 ASN 28 1HD2 ASN 28 -7.554 -9.501 -1.124 223 HD22 ASN 28 2HD2 ASN 28 -7.323 -11.207 -1.309 224 H GLY 29 H GLY 29 -7.842 -5.684 -3.919 225 HA2 GLY 29 2HA GLY 29 -10.115 -5.085 -3.796 226 HA3 GLY 29 1HA GLY 29 -10.479 -6.650 -3.107 227 H HIS 30 H HIS 30 -7.891 -5.421 -1.419 228 HA HIS 30 HA HIS 30 -9.666 -4.539 0.778 229 HB2 HIS 30 2HB HIS 30 -7.472 -6.149 0.897 230 HB3 HIS 30 1HB HIS 30 -6.803 -4.511 0.914 231 HD1 HIS 30 1HD HIS 30 -7.864 -2.834 2.976 232 HD2 HIS 30 2HD HIS 30 -7.857 -6.972 3.555 233 HE1 HIS 30 1HE HIS 30 -8.051 -3.164 5.396 234 HE2 HIS 30 2HE HIS 30 -7.563 -5.551 5.719 235 H GLU 31 H GLU 31 -9.727 -2.364 1.235 236 HA GLU 31 HA GLU 31 -7.776 -0.713 -0.126 237 HB2 GLU 31 2HB GLU 31 -9.120 1.241 0.482 238 HB3 GLU 31 1HB GLU 31 -10.107 0.059 -0.355 239 HG2 GLU 31 2HG GLU 31 -11.247 -0.524 1.619 240 HG3 GLU 31 1HG GLU 31 -10.043 0.286 2.626 241 H ILE 32 H ILE 32 -6.346 0.475 0.959 242 HA ILE 32 HA ILE 32 -6.241 -0.022 3.823 243 HB ILE 32 HB ILE 32 -3.777 -0.384 3.598 244 HG12 ILE 32 2HG1 ILE 32 -4.410 -0.785 0.690 245 HG13 ILE 32 1HG1 ILE 32 -3.661 0.684 1.317 246 HG21 ILE 32 1HG2 ILE 32 -3.939 -2.712 2.852 247 HG22 ILE 32 2HG2 ILE 32 -5.508 -2.369 2.127 248 HG23 ILE 32 3HG2 ILE 32 -5.307 -2.270 3.875 249 HD11 ILE 32 3HD1 ILE 32 -2.512 -2.094 1.403 250 HD12 ILE 32 1HD1 ILE 32 -1.758 -0.659 2.097 251 HD13 ILE 32 2HD1 ILE 32 -1.997 -0.772 0.352 252 H LEU 33 H LEU 33 -5.125 1.476 4.918 253 HA LEU 33 HA LEU 33 -4.645 4.027 3.519 254 HB2 LEU 33 2HB LEU 33 -4.726 3.471 6.490 255 HB3 LEU 33 1HB LEU 33 -4.832 5.028 5.681 256 HG LEU 33 HG LEU 33 -6.937 2.886 5.474 257 HD11 LEU 33 1HD1 LEU 33 -6.908 5.345 7.231 258 HD12 LEU 33 2HD1 LEU 33 -6.793 3.666 7.777 259 HD13 LEU 33 3HD1 LEU 33 -8.270 4.243 7.004 260 HD21 LEU 33 3HD2 LEU 33 -8.347 4.656 4.599 261 HD22 LEU 33 1HD2 LEU 33 -6.891 4.464 3.621 262 HD23 LEU 33 2HD2 LEU 33 -7.023 5.807 4.767 263 H ALA 34 H ALA 34 -2.584 4.454 3.182 264 HA ALA 34 HA ALA 34 -0.603 2.919 4.688 265 HB1 ALA 34 1HB ALA 34 -0.717 3.141 1.693 266 HB2 ALA 34 2HB ALA 34 -1.114 1.709 2.643 267 HB3 ALA 34 3HB ALA 34 0.537 2.331 2.632 268 H HIS 35 H HIS 35 1.564 3.737 4.424 269 HA HIS 35 HA HIS 35 1.498 6.686 4.181 270 HB2 HIS 35 2HB HIS 35 1.941 5.456 6.460 271 HB3 HIS 35 1HB HIS 35 3.527 5.159 5.746 272 HD1 HIS 35 1HD HIS 35 1.308 8.005 6.817 273 HD2 HIS 35 2HD HIS 35 5.272 7.287 5.831 274 HE1 HIS 35 1HE HIS 35 2.544 10.089 7.458 275 HE2 HIS 35 2HE HIS 35 4.863 9.723 6.585 276 H VAL 36 H VAL 36 2.999 7.607 2.840 277 HA VAL 36 HA VAL 36 4.700 5.816 1.360 278 HB VAL 36 HB VAL 36 5.404 7.811 0.055 279 HG11 VAL 36 1HG1 VAL 36 3.586 6.470 -0.727 280 HG12 VAL 36 2HG1 VAL 36 3.216 8.169 -1.034 281 HG13 VAL 36 3HG1 VAL 36 2.458 7.326 0.318 282 HG21 VAL 36 3HG2 VAL 36 5.121 9.529 1.784 283 HG22 VAL 36 1HG2 VAL 36 3.377 9.278 1.753 284 HG23 VAL 36 2HG2 VAL 36 4.200 9.933 0.336 285 H SER 37 H SER 37 6.887 5.852 1.242 286 HA SER 37 HA SER 37 8.295 6.248 3.643 287 HB2 SER 37 2HB SER 37 10.291 5.719 2.384 288 HB3 SER 37 1HB SER 37 8.977 4.706 1.791 289 HG SER 37 HG SER 37 8.679 6.514 0.237 290 H GLY 38 H GLY 38 10.079 7.731 4.045 291 HA2 GLY 38 2HA GLY 38 9.533 10.411 3.707 292 HA3 GLY 38 1HA GLY 38 11.099 9.748 4.141 293 H LYS 39 H LYS 39 10.971 8.240 1.416 294 HA LYS 39 HA LYS 39 12.622 10.096 0.013 295 HB2 LYS 39 2HB LYS 39 11.288 7.580 -1.008 296 HB3 LYS 39 1HB LYS 39 12.594 8.436 -1.802 297 HG2 LYS 39 2HG LYS 39 14.052 7.922 0.134 298 HG3 LYS 39 1HG LYS 39 12.736 6.992 0.840 299 HD2 LYS 39 2HD LYS 39 13.904 6.385 -1.887 300 HD3 LYS 39 1HD LYS 39 14.529 5.674 -0.412 301 HE2 LYS 39 2HE LYS 39 13.045 4.094 -1.499 302 HE3 LYS 39 1HE LYS 39 12.298 4.643 -0.009 303 HZ1 LYS 39 3HZ LYS 39 10.843 4.444 -2.032 304 HZ2 LYS 39 1HZ LYS 39 11.626 5.781 -2.666 305 HZ3 LYS 39 2HZ LYS 39 10.721 5.899 -1.210 306 H ILE 40 H ILE 40 9.279 9.268 -0.016 307 HA ILE 40 HA ILE 40 8.741 10.616 -2.527 308 HB ILE 40 HB ILE 40 7.030 8.965 -0.647 309 HG12 ILE 40 2HG1 ILE 40 8.044 8.377 -3.424 310 HG13 ILE 40 1HG1 ILE 40 8.786 7.775 -1.945 311 HG21 ILE 40 1HG2 ILE 40 5.658 10.669 -1.812 312 HG22 ILE 40 2HG2 ILE 40 5.280 9.018 -2.292 313 HG23 ILE 40 3HG2 ILE 40 6.253 10.038 -3.358 314 HD11 ILE 40 3HD1 ILE 40 6.737 6.531 -1.443 315 HD12 ILE 40 1HD1 ILE 40 7.406 6.077 -3.009 316 HD13 ILE 40 2HD1 ILE 40 6.005 7.147 -2.924 317 H ARG 41 H ARG 41 8.600 11.096 0.842 318 HA ARG 41 HA ARG 41 6.656 13.218 0.759 319 HB2 ARG 41 2HB ARG 41 6.996 11.647 2.719 320 HB3 ARG 41 1HB ARG 41 8.523 12.438 3.020 321 HG2 ARG 41 2HG ARG 41 6.078 14.152 2.996 322 HG3 ARG 41 1HG ARG 41 6.265 13.039 4.337 323 HD2 ARG 41 2HD ARG 41 7.152 15.139 5.050 324 HD3 ARG 41 1HD ARG 41 8.533 14.096 4.755 325 HE ARG 41 HE ARG 41 7.933 15.616 2.459 326 HH11 ARG 41 1HH1 ARG 41 9.382 16.028 5.668 327 HH12 ARG 41 2HH1 ARG 41 10.390 17.317 5.206 328 HH21 ARG 41 1HH2 ARG 41 9.289 17.339 1.809 329 HH22 ARG 41 2HH2 ARG 41 10.339 18.105 2.898 330 H MET 42 H MET 42 10.189 12.906 1.078 331 HA MET 42 HA MET 42 10.548 15.721 1.437 332 HB2 MET 42 2HB MET 42 12.912 15.328 1.532 333 HB3 MET 42 1HB MET 42 12.094 14.091 2.467 334 HG2 MET 42 2HG MET 42 12.400 12.510 0.616 335 HG3 MET 42 1HG MET 42 13.243 13.761 -0.299 336 HE1 MET 42 3HE MET 42 15.345 12.203 -0.636 337 HE2 MET 42 1HE MET 42 14.539 10.905 0.241 338 HE3 MET 42 2HE MET 42 16.180 11.376 0.677 339 H ASN 43 H ASN 43 10.296 13.760 -1.339 340 HA ASN 43 HA ASN 43 11.567 15.873 -2.957 341 HB2 ASN 43 2HB ASN 43 12.532 13.382 -2.893 342 HB3 ASN 43 1HB ASN 43 11.117 13.098 -3.911 343 HD21 ASN 43 1HD2 ASN 43 14.031 12.913 -4.474 344 HD22 ASN 43 2HD2 ASN 43 14.256 13.891 -5.883 345 H TYR 44 H TYR 44 10.557 15.571 -5.305 346 HA TYR 44 HA TYR 44 7.730 16.004 -4.893 347 HB2 TYR 44 2HB TYR 44 7.775 16.965 -7.187 348 HB3 TYR 44 1HB TYR 44 8.878 17.711 -6.025 349 HD1 TYR 44 1HD TYR 44 8.814 15.272 -8.860 350 HD2 TYR 44 2HD TYR 44 11.130 17.998 -6.554 351 HE1 TYR 44 1HE TYR 44 10.684 15.010 -10.434 352 HE2 TYR 44 2HE TYR 44 13.006 17.737 -8.120 353 HH TYR 44 HH TYR 44 12.675 16.256 -11.145 354 H ILE 45 H ILE 45 9.218 13.320 -5.239 355 HA ILE 45 HA ILE 45 7.858 12.139 -7.536 356 HB ILE 45 HB ILE 45 8.976 10.035 -6.917 357 HG12 ILE 45 2HG1 ILE 45 10.081 11.584 -4.545 358 HG13 ILE 45 1HG1 ILE 45 8.911 10.275 -4.486 359 HG21 ILE 45 1HG2 ILE 45 11.305 10.754 -7.260 360 HG22 ILE 45 2HG2 ILE 45 10.828 12.413 -6.906 361 HG23 ILE 45 3HG2 ILE 45 10.176 11.594 -8.326 362 HD11 ILE 45 3HD1 ILE 45 10.574 8.711 -5.318 363 HD12 ILE 45 1HD1 ILE 45 11.140 9.516 -3.853 364 HD13 ILE 45 2HD1 ILE 45 11.758 10.013 -5.427 365 H ARG 46 H ARG 46 6.190 13.220 -5.849 366 HA ARG 46 HA ARG 46 5.070 11.608 -3.817 367 HB2 ARG 46 2HB ARG 46 3.214 13.238 -3.864 368 HB3 ARG 46 1HB ARG 46 4.797 13.992 -3.746 369 HG2 ARG 46 2HG ARG 46 4.728 14.500 -6.144 370 HG3 ARG 46 1HG ARG 46 3.131 13.760 -6.245 371 HD2 ARG 46 2HD ARG 46 2.251 15.421 -4.701 372 HD3 ARG 46 1HD ARG 46 3.855 16.134 -4.534 373 HE ARG 46 HE ARG 46 3.322 16.122 -7.207 374 HH11 ARG 46 1HH1 ARG 46 1.816 17.563 -4.363 375 HH12 ARG 46 2HH1 ARG 46 1.194 18.938 -5.148 376 HH21 ARG 46 1HH2 ARG 46 2.484 18.028 -8.360 377 HH22 ARG 46 2HH2 ARG 46 1.598 19.210 -7.524 378 H ILE 47 H ILE 47 3.086 10.599 -3.775 379 HA ILE 47 HA ILE 47 2.564 9.080 -6.155 380 HB ILE 47 HB ILE 47 1.428 8.870 -3.354 381 HG12 ILE 47 2HG1 ILE 47 3.812 8.378 -3.426 382 HG13 ILE 47 1HG1 ILE 47 2.894 6.913 -3.105 383 HG21 ILE 47 1HG2 ILE 47 1.181 6.955 -5.657 384 HG22 ILE 47 2HG2 ILE 47 -0.092 7.982 -5.008 385 HG23 ILE 47 3HG2 ILE 47 0.595 6.689 -4.009 386 HD11 ILE 47 3HD1 ILE 47 4.175 7.717 -5.715 387 HD12 ILE 47 1HD1 ILE 47 3.181 6.279 -5.478 388 HD13 ILE 47 2HD1 ILE 47 4.707 6.447 -4.616 389 H LEU 48 H LEU 48 0.788 9.219 -7.378 390 HA LEU 48 HA LEU 48 -1.216 11.245 -6.707 391 HB2 LEU 48 2HB LEU 48 0.354 11.834 -8.574 392 HB3 LEU 48 1HB LEU 48 -0.173 10.396 -9.417 393 HG LEU 48 HG LEU 48 -2.491 11.364 -9.397 394 HD11 LEU 48 1HD1 LEU 48 -1.020 13.882 -8.619 395 HD12 LEU 48 2HD1 LEU 48 -2.171 13.012 -7.614 396 HD13 LEU 48 3HD1 LEU 48 -2.712 13.784 -9.106 397 HD21 LEU 48 3HD2 LEU 48 -2.048 12.853 -11.303 398 HD22 LEU 48 1HD2 LEU 48 -1.111 11.362 -11.396 399 HD23 LEU 48 2HD2 LEU 48 -0.334 12.860 -10.885 400 HA PRO 49 HA PRO 49 -4.190 7.806 -6.882 401 HB2 PRO 49 2HB PRO 49 -5.757 9.946 -8.280 402 HB3 PRO 49 1HB PRO 49 -6.287 8.828 -7.000 403 HG2 PRO 49 2HG PRO 49 -5.755 11.284 -6.364 404 HG3 PRO 49 1HG PRO 49 -5.171 9.959 -5.331 405 HD2 PRO 49 2HD PRO 49 -3.651 11.659 -7.252 406 HD3 PRO 49 1HD PRO 49 -3.135 10.988 -5.688 407 H GLY 50 H GLY 50 -4.431 6.283 -8.343 408 HA2 GLY 50 2HA GLY 50 -4.921 5.464 -10.538 409 HA3 GLY 50 1HA GLY 50 -4.252 6.956 -11.199 410 H ASP 51 H ASP 51 -2.139 6.405 -8.909 411 HA ASP 51 HA ASP 51 -0.442 4.942 -10.687 412 HB2 ASP 51 2HB ASP 51 0.124 6.978 -8.929 413 HB3 ASP 51 1HB ASP 51 0.766 5.547 -8.108 414 H LYS 52 H LYS 52 0.983 3.210 -9.845 415 HA LYS 52 HA LYS 52 -0.670 1.246 -8.388 416 HB2 LYS 52 2HB LYS 52 -0.025 1.227 -11.010 417 HB3 LYS 52 1HB LYS 52 1.474 0.600 -10.382 418 HG2 LYS 52 2HG LYS 52 -1.222 -0.689 -9.979 419 HG3 LYS 52 1HG LYS 52 -0.119 -1.083 -11.281 420 HD2 LYS 52 2HD LYS 52 1.555 -1.661 -9.404 421 HD3 LYS 52 1HD LYS 52 0.139 -1.647 -8.339 422 HE2 LYS 52 2HE LYS 52 -0.988 -3.231 -9.910 423 HE3 LYS 52 1HE LYS 52 0.508 -3.325 -10.825 424 HZ1 LYS 52 3HZ LYS 52 0.267 -5.189 -9.333 425 HZ2 LYS 52 1HZ LYS 52 0.014 -4.170 -8.062 426 HZ3 LYS 52 2HZ LYS 52 1.569 -4.260 -8.751 427 H VAL 53 H VAL 53 0.471 0.573 -6.523 428 HA VAL 53 HA VAL 53 3.296 1.286 -6.466 429 HB VAL 53 HB VAL 53 3.087 2.187 -4.163 430 HG11 VAL 53 1HG1 VAL 53 3.311 3.696 -6.067 431 HG12 VAL 53 2HG1 VAL 53 2.238 4.402 -4.854 432 HG13 VAL 53 3HG1 VAL 53 1.564 3.673 -6.312 433 HG21 VAL 53 3HG2 VAL 53 0.953 1.250 -3.515 434 HG22 VAL 53 1HG2 VAL 53 0.137 2.138 -4.803 435 HG23 VAL 53 2HG2 VAL 53 0.846 3.014 -3.454 436 H THR 54 H THR 54 4.558 0.387 -4.815 437 HA THR 54 HA THR 54 3.729 -2.293 -4.099 438 HB THR 54 HB THR 54 6.431 -1.014 -3.720 439 HG1 THR 54 1HG THR 54 5.337 -2.152 -6.134 440 HG21 THR 54 3HG2 THR 54 7.224 -3.317 -4.063 441 HG22 THR 54 1HG2 THR 54 5.565 -3.855 -4.327 442 HG23 THR 54 2HG2 THR 54 6.054 -3.249 -2.746 443 H VAL 55 H VAL 55 2.950 -2.569 -2.090 444 HA VAL 55 HA VAL 55 3.709 -0.651 -0.030 445 HB VAL 55 HB VAL 55 1.311 -0.496 -0.700 446 HG11 VAL 55 1HG1 VAL 55 1.032 -3.285 0.413 447 HG12 VAL 55 2HG1 VAL 55 0.838 -2.810 -1.270 448 HG13 VAL 55 3HG1 VAL 55 -0.287 -2.218 -0.049 449 HG21 VAL 55 3HG2 VAL 55 1.772 -1.470 2.096 450 HG22 VAL 55 1HG2 VAL 55 0.369 -0.550 1.555 451 HG23 VAL 55 2HG2 VAL 55 1.976 0.182 1.516 452 H GLU 56 H GLU 56 4.614 -1.372 1.693 453 HA GLU 56 HA GLU 56 5.001 -4.239 2.103 454 HB2 GLU 56 2HB GLU 56 6.186 -1.830 3.486 455 HB3 GLU 56 1HB GLU 56 6.698 -3.500 3.697 456 HG2 GLU 56 2HG GLU 56 7.548 -3.612 1.492 457 HG3 GLU 56 1HG GLU 56 6.801 -2.073 1.063 458 H MET 57 H MET 57 3.823 -5.254 3.602 459 HA MET 57 HA MET 57 2.660 -3.784 5.824 460 HB2 MET 57 2HB MET 57 0.482 -5.075 5.347 461 HB3 MET 57 1HB MET 57 0.822 -3.600 4.439 462 HG2 MET 57 2HG MET 57 1.465 -4.905 2.540 463 HG3 MET 57 1HG MET 57 1.349 -6.388 3.486 464 HE1 MET 57 3HE MET 57 -1.283 -3.610 4.140 465 HE2 MET 57 1HE MET 57 -2.366 -3.809 2.775 466 HE3 MET 57 2HE MET 57 -0.724 -3.197 2.510 467 H SER 58 H SER 58 1.873 -5.155 7.521 468 HA SER 58 HA SER 58 3.601 -7.395 7.830 469 HB2 SER 58 2HB SER 58 1.398 -6.369 9.633 470 HB3 SER 58 1HB SER 58 2.709 -7.461 10.085 471 HG SER 58 HG SER 58 2.650 -4.780 9.877 472 HA PRO 59 HA PRO 59 0.809 -10.499 6.279 473 HB2 PRO 59 2HB PRO 59 1.603 -12.621 7.842 474 HB3 PRO 59 1HB PRO 59 2.525 -12.046 6.437 475 HG2 PRO 59 2HG PRO 59 2.991 -11.517 9.318 476 HG3 PRO 59 1HG PRO 59 4.159 -11.826 8.018 477 HD2 PRO 59 2HD PRO 59 3.682 -9.354 8.957 478 HD3 PRO 59 1HD PRO 59 4.100 -9.655 7.253 479 H TYR 60 H TYR 60 0.837 -9.454 9.448 480 HA TYR 60 HA TYR 60 -1.329 -11.131 10.387 481 HB2 TYR 60 2HB TYR 60 0.522 -10.591 11.896 482 HB3 TYR 60 1HB TYR 60 0.181 -8.878 11.728 483 HD1 TYR 60 1HD TYR 60 -1.238 -12.072 13.000 484 HD2 TYR 60 2HD TYR 60 -1.343 -7.822 13.187 485 HE1 TYR 60 1HE TYR 60 -2.719 -12.197 14.962 486 HE2 TYR 60 2HE TYR 60 -2.824 -7.937 15.144 487 HH TYR 60 HH TYR 60 -4.410 -9.516 16.149 488 H ASP 61 H ASP 61 -1.067 -8.097 8.715 489 HA ASP 61 HA ASP 61 -3.760 -7.499 9.681 490 HB2 ASP 61 2HB ASP 61 -3.390 -5.120 9.580 491 HB3 ASP 61 1HB ASP 61 -2.230 -5.848 10.709 492 H LEU 62 H LEU 62 -1.615 -6.566 6.990 493 HA LEU 62 HA LEU 62 -2.023 -6.001 4.833 494 HB2 LEU 62 2HB LEU 62 -4.088 -8.158 5.219 495 HB3 LEU 62 1HB LEU 62 -4.056 -7.250 3.727 496 HG LEU 62 HG LEU 62 -1.729 -8.012 3.343 497 HD11 LEU 62 1HD1 LEU 62 -1.051 -8.470 5.635 498 HD12 LEU 62 2HD1 LEU 62 -0.850 -9.903 4.628 499 HD13 LEU 62 3HD1 LEU 62 -2.219 -9.787 5.734 500 HD21 LEU 62 3HD2 LEU 62 -2.321 -10.314 2.733 501 HD22 LEU 62 1HD2 LEU 62 -3.582 -9.160 2.297 502 HD23 LEU 62 2HD2 LEU 62 -3.779 -10.188 3.716 503 H THR 63 H THR 63 -3.183 -4.355 6.954 504 HA THR 63 HA THR 63 -5.449 -3.301 5.619 505 HB THR 63 HB THR 63 -4.684 -4.202 8.275 506 HG1 THR 63 1HG THR 63 -6.031 -5.506 7.664 507 HG21 THR 63 3HG2 THR 63 -4.887 -2.107 8.612 508 HG22 THR 63 1HG2 THR 63 -6.350 -2.769 9.375 509 HG23 THR 63 2HG2 THR 63 -6.475 -1.867 7.807 510 H ARG 64 H ARG 64 -2.285 -2.855 7.230 511 HA ARG 64 HA ARG 64 -2.359 0.010 6.663 512 HB2 ARG 64 2HB ARG 64 -2.410 -0.614 9.117 513 HB3 ARG 64 1HB ARG 64 -0.886 -1.451 8.876 514 HG2 ARG 64 2HG ARG 64 -0.448 0.689 9.862 515 HG3 ARG 64 1HG ARG 64 0.131 0.714 8.194 516 HD2 ARG 64 2HD ARG 64 -1.035 2.777 8.715 517 HD3 ARG 64 1HD ARG 64 -1.938 1.872 7.507 518 HE ARG 64 HE ARG 64 -2.595 2.054 10.365 519 HH11 ARG 64 1HH1 ARG 64 -3.649 1.550 7.017 520 HH12 ARG 64 2HH1 ARG 64 -5.306 1.497 7.368 521 HH21 ARG 64 1HH2 ARG 64 -4.931 2.042 10.870 522 HH22 ARG 64 2HH2 ARG 64 -6.062 1.821 9.627 523 H GLY 65 H GLY 65 -0.417 0.712 5.588 524 HA2 GLY 65 2HA GLY 65 1.718 -1.218 5.401 525 HA3 GLY 65 1HA GLY 65 0.863 -0.898 3.912 526 H ARG 66 H ARG 66 3.348 -0.376 3.769 527 HA ARG 66 HA ARG 66 3.548 2.561 3.860 528 HB2 ARG 66 2HB ARG 66 4.963 1.489 5.585 529 HB3 ARG 66 1HB ARG 66 5.760 0.566 4.319 530 HG2 ARG 66 2HG ARG 66 6.086 3.033 3.345 531 HG3 ARG 66 1HG ARG 66 6.071 3.397 5.070 532 HD2 ARG 66 2HD ARG 66 7.804 1.447 3.629 533 HD3 ARG 66 1HD ARG 66 8.258 3.016 4.312 534 HE ARG 66 HE ARG 66 7.603 2.001 6.523 535 HH11 ARG 66 1HH1 ARG 66 8.800 -0.173 3.907 536 HH12 ARG 66 2HH1 ARG 66 9.559 -1.234 4.922 537 HH21 ARG 66 1HH2 ARG 66 8.695 0.427 7.981 538 HH22 ARG 66 2HH2 ARG 66 9.500 -0.912 7.296 539 H ILE 67 H ILE 67 4.189 3.426 1.925 540 HA ILE 67 HA ILE 67 4.825 1.575 -0.238 541 HB ILE 67 HB ILE 67 3.822 4.408 -0.267 542 HG12 ILE 67 2HG1 ILE 67 2.161 3.351 -1.884 543 HG13 ILE 67 1HG1 ILE 67 2.875 1.815 -1.380 544 HG21 ILE 67 1HG2 ILE 67 4.893 2.908 -2.658 545 HG22 ILE 67 2HG2 ILE 67 5.619 4.315 -1.894 546 HG23 ILE 67 3HG2 ILE 67 4.059 4.472 -2.718 547 HD11 ILE 67 3HD1 ILE 67 1.474 3.792 0.392 548 HD12 ILE 67 1HD1 ILE 67 2.220 2.281 0.906 549 HD13 ILE 67 2HD1 ILE 67 0.831 2.246 -0.178 550 H THR 68 H THR 68 6.773 1.276 -0.784 551 HA THR 68 HA THR 68 8.656 3.478 -0.421 552 HB THR 68 HB THR 68 10.400 1.573 -0.627 553 HG1 THR 68 1HG THR 68 8.713 -0.103 0.677 554 HG21 THR 68 3HG2 THR 68 8.589 1.987 1.694 555 HG22 THR 68 1HG2 THR 68 10.054 2.912 1.364 556 HG23 THR 68 2HG2 THR 68 10.173 1.200 1.831 557 H TYR 69 H TYR 69 7.155 1.555 -2.830 558 HA TYR 69 HA TYR 69 8.888 2.701 -4.883 559 HB2 TYR 69 2HB TYR 69 9.756 0.416 -4.174 560 HB3 TYR 69 1HB TYR 69 8.193 -0.210 -4.695 561 HD1 TYR 69 2HD TYR 69 11.008 1.842 -6.068 562 HD2 TYR 69 1HD TYR 69 8.062 -1.135 -6.825 563 HE1 TYR 69 2HE TYR 69 11.878 1.568 -8.351 564 HE2 TYR 69 1HE TYR 69 8.927 -1.416 -9.111 565 HH TYR 69 HH TYR 69 11.902 -0.125 -10.125 566 H ARG 70 H ARG 70 7.858 2.382 -7.058 567 HA ARG 70 HA ARG 70 5.040 1.756 -6.913 568 HB2 ARG 70 2HB ARG 70 4.509 3.492 -8.499 569 HB3 ARG 70 1HB ARG 70 5.140 4.209 -7.009 570 HG2 ARG 70 2HG ARG 70 7.276 4.632 -8.117 571 HG3 ARG 70 1HG ARG 70 6.713 3.801 -9.564 572 HD2 ARG 70 2HD ARG 70 6.495 6.070 -10.066 573 HD3 ARG 70 1HD ARG 70 4.870 5.552 -9.643 574 HE ARG 70 HE ARG 70 6.461 6.730 -7.531 575 HH11 ARG 70 1HH1 ARG 70 3.717 6.990 -9.673 576 HH12 ARG 70 2HH1 ARG 70 3.307 8.592 -9.302 577 HH21 ARG 70 1HH2 ARG 70 5.903 9.003 -6.869 578 HH22 ARG 70 2HH2 ARG 70 4.584 9.750 -7.592 579 H TYR 71 H TYR 71 4.741 0.040 -8.191 580 HA TYR 71 HA TYR 71 6.478 -0.203 -10.514 581 HB2 TYR 71 2HB TYR 71 6.657 -2.004 -8.954 582 HB3 TYR 71 1HB TYR 71 4.913 -2.232 -8.980 583 HD1 TYR 71 1HD TYR 71 7.969 -2.500 -11.088 584 HD2 TYR 71 2HD TYR 71 3.887 -3.612 -10.631 585 HE1 TYR 71 1HE TYR 71 8.183 -4.059 -12.980 586 HE2 TYR 71 2HE TYR 71 4.092 -5.172 -12.514 587 HH TYR 71 HH TYR 71 5.534 -5.323 -14.516 588 H LYS 72 H LYS 72 5.604 0.147 -12.448 589 HA LYS 72 HA LYS 72 2.828 -0.528 -12.786 590 HB2 LYS 72 2HB LYS 72 4.235 1.924 -13.766 591 HB3 LYS 72 1HB LYS 72 2.968 1.223 -14.772 592 HG2 LYS 72 2HG LYS 72 1.404 1.359 -12.915 593 HG3 LYS 72 1HG LYS 72 2.662 2.043 -11.897 594 HD2 LYS 72 2HD LYS 72 2.699 4.057 -13.154 595 HD3 LYS 72 1HD LYS 72 1.731 3.341 -14.452 596 HE2 LYS 72 2HE LYS 72 -0.181 3.173 -13.033 597 HE3 LYS 72 1HE LYS 72 0.768 3.625 -11.626 598 HZ1 LYS 72 3HZ LYS 72 0.307 5.475 -13.914 599 HZ2 LYS 72 1HZ LYS 72 0.940 5.818 -12.376 600 HZ3 LYS 72 2HZ LYS 72 -0.680 5.399 -12.524 Start of MODEL 10 1 H1 MET 1 1HT MET 1 10.201 -18.516 9.763 2 H2 MET 1 2HT MET 1 11.429 -18.614 10.958 3 H3 MET 1 3HT MET 1 10.232 -17.431 11.059 4 HA MET 1 HA MET 1 9.732 -20.326 11.192 5 HB2 MET 1 2HB MET 1 9.864 -18.230 13.384 6 HB3 MET 1 1HB MET 1 9.159 -19.819 13.610 7 HG2 MET 1 2HG MET 1 11.413 -19.726 14.515 8 HG3 MET 1 1HG MET 1 11.330 -20.852 13.166 9 HE1 MET 1 2HE MET 1 14.979 -19.380 12.933 10 HE2 MET 1 3HE MET 1 14.013 -20.848 13.076 11 HE3 MET 1 1HE MET 1 14.065 -19.693 14.408 12 H ALA 2 H ALA 2 8.364 -17.182 12.209 13 HA ALA 2 HA ALA 2 5.763 -18.124 11.277 14 HB1 ALA 2 1HB ALA 2 6.565 -15.740 12.973 15 HB2 ALA 2 2HB ALA 2 5.858 -17.239 13.572 16 HB3 ALA 2 3HB ALA 2 4.909 -16.166 12.541 17 H LYS 3 H LYS 3 4.617 -15.706 10.582 18 HA LYS 3 HA LYS 3 6.023 -15.103 8.143 19 HB2 LYS 3 2HB LYS 3 3.486 -13.841 9.248 20 HB3 LYS 3 1HB LYS 3 4.109 -13.627 7.621 21 HG2 LYS 3 2HG LYS 3 3.108 -16.221 8.804 22 HG3 LYS 3 1HG LYS 3 2.222 -15.192 7.688 23 HD2 LYS 3 2HD LYS 3 4.894 -16.419 6.967 24 HD3 LYS 3 1HD LYS 3 3.386 -17.285 6.744 25 HE2 LYS 3 2HE LYS 3 4.083 -16.257 4.649 26 HE3 LYS 3 1HE LYS 3 2.602 -15.507 5.221 27 HZ1 LYS 3 3HZ LYS 3 4.401 -13.966 4.327 28 HZ2 LYS 3 1HZ LYS 3 5.307 -14.349 5.630 29 HZ3 LYS 3 2HZ LYS 3 3.874 -13.538 5.861 30 H GLN 4 H GLN 4 7.843 -14.244 8.783 31 HA GLN 4 HA GLN 4 7.881 -11.727 10.335 32 HB2 GLN 4 2HB GLN 4 10.017 -13.819 9.838 33 HB3 GLN 4 1HB GLN 4 10.244 -12.355 10.785 34 HG2 GLN 4 2HG GLN 4 8.773 -13.107 12.480 35 HG3 GLN 4 1HG GLN 4 8.166 -14.414 11.467 36 HE21 GLN 4 1HE2 GLN 4 10.804 -13.306 13.414 37 HE22 GLN 4 2HE2 GLN 4 11.595 -14.825 13.589 38 H ASP 5 H ASP 5 7.646 -12.691 7.397 39 HA ASP 5 HA ASP 5 9.825 -11.335 6.071 40 HB2 ASP 5 2HB ASP 5 8.724 -12.293 4.042 41 HB3 ASP 5 1HB ASP 5 9.221 -13.502 5.223 42 H VAL 6 H VAL 6 9.379 -9.822 4.416 43 HA VAL 6 HA VAL 6 6.851 -8.363 4.629 44 HB VAL 6 HB VAL 6 9.640 -7.176 4.238 45 HG11 VAL 6 1HG1 VAL 6 6.979 -5.774 4.481 46 HG12 VAL 6 2HG1 VAL 6 7.949 -5.921 3.018 47 HG13 VAL 6 3HG1 VAL 6 8.553 -4.982 4.384 48 HG21 VAL 6 3HG2 VAL 6 9.315 -7.847 6.557 49 HG22 VAL 6 1HG2 VAL 6 7.799 -6.950 6.621 50 HG23 VAL 6 2HG2 VAL 6 9.324 -6.088 6.422 51 H ILE 7 H ILE 7 6.095 -7.708 2.575 52 HA ILE 7 HA ILE 7 7.683 -8.567 0.270 53 HB ILE 7 HB ILE 7 4.726 -9.221 0.699 54 HG12 ILE 7 2HG1 ILE 7 7.114 -11.088 0.559 55 HG13 ILE 7 1HG1 ILE 7 6.214 -10.690 2.015 56 HG21 ILE 7 1HG2 ILE 7 5.203 -8.738 -1.648 57 HG22 ILE 7 2HG2 ILE 7 4.859 -10.454 -1.425 58 HG23 ILE 7 3HG2 ILE 7 6.524 -9.908 -1.633 59 HD11 ILE 7 3HD1 ILE 7 4.228 -11.769 1.067 60 HD12 ILE 7 1HD1 ILE 7 5.597 -12.878 1.160 61 HD13 ILE 7 2HD1 ILE 7 5.146 -12.163 -0.387 62 H GLU 8 H GLU 8 7.240 -7.320 -1.624 63 HA GLU 8 HA GLU 8 5.779 -4.875 -1.064 64 HB2 GLU 8 2HB GLU 8 7.808 -5.520 -3.209 65 HB3 GLU 8 1HB GLU 8 6.937 -4.000 -3.093 66 HG2 GLU 8 2HG GLU 8 7.952 -3.622 -0.882 67 HG3 GLU 8 1HG GLU 8 8.881 -5.110 -1.082 68 H LEU 9 H LEU 9 4.040 -4.449 -2.033 69 HA LEU 9 HA LEU 9 3.026 -6.241 -4.130 70 HB2 LEU 9 2HB LEU 9 1.453 -4.983 -1.883 71 HB3 LEU 9 1HB LEU 9 0.794 -5.970 -3.164 72 HG LEU 9 HG LEU 9 2.587 -6.892 -0.909 73 HD11 LEU 9 1HD1 LEU 9 0.663 -8.219 -0.293 74 HD12 LEU 9 2HD1 LEU 9 -0.264 -7.494 -1.609 75 HD13 LEU 9 3HD1 LEU 9 0.304 -6.492 -0.271 76 HD21 LEU 9 3HD2 LEU 9 2.291 -9.148 -1.848 77 HD22 LEU 9 1HD2 LEU 9 3.157 -8.097 -2.970 78 HD23 LEU 9 2HD2 LEU 9 1.453 -8.453 -3.237 79 H GLU 10 H GLU 10 1.306 -5.236 -5.391 80 HA GLU 10 HA GLU 10 1.833 -2.391 -5.812 81 HB2 GLU 10 2HB GLU 10 1.309 -4.701 -7.568 82 HB3 GLU 10 1HB GLU 10 0.442 -3.236 -7.992 83 HG2 GLU 10 2HG GLU 10 3.422 -3.376 -7.619 84 HG3 GLU 10 1HG GLU 10 2.606 -3.550 -9.176 85 H GLY 11 H GLY 11 0.130 -1.042 -5.996 86 HA2 GLY 11 2HA GLY 11 -2.575 -2.033 -5.822 87 HA3 GLY 11 1HA GLY 11 -2.038 -1.064 -4.451 88 H THR 12 H THR 12 -4.036 -0.078 -5.706 89 HA THR 12 HA THR 12 -2.909 2.071 -7.362 90 HB THR 12 HB THR 12 -5.662 0.856 -7.596 91 HG1 THR 12 1HG THR 12 -4.119 -0.661 -8.366 92 HG21 THR 12 3HG2 THR 12 -4.140 2.768 -9.389 93 HG22 THR 12 1HG2 THR 12 -5.473 3.203 -8.324 94 HG23 THR 12 2HG2 THR 12 -5.761 2.140 -9.704 95 H VAL 13 H VAL 13 -3.324 4.058 -6.576 96 HA VAL 13 HA VAL 13 -4.909 4.213 -4.141 97 HB VAL 13 HB VAL 13 -2.780 5.204 -3.769 98 HG11 VAL 13 1HG1 VAL 13 -2.047 5.403 -5.950 99 HG12 VAL 13 2HG1 VAL 13 -1.809 6.923 -5.078 100 HG13 VAL 13 3HG1 VAL 13 -3.128 6.774 -6.269 101 HG21 VAL 13 3HG2 VAL 13 -3.224 7.545 -3.258 102 HG22 VAL 13 1HG2 VAL 13 -4.627 6.561 -2.835 103 HG23 VAL 13 2HG2 VAL 13 -4.641 7.517 -4.306 104 H LEU 14 H LEU 14 -6.697 5.231 -3.815 105 HA LEU 14 HA LEU 14 -7.985 6.331 -6.191 106 HB2 LEU 14 2HB LEU 14 -9.176 5.419 -3.578 107 HB3 LEU 14 1HB LEU 14 -10.085 6.028 -4.943 108 HG LEU 14 HG LEU 14 -8.478 3.472 -4.880 109 HD11 LEU 14 1HD1 LEU 14 -10.525 3.331 -3.592 110 HD12 LEU 14 2HD1 LEU 14 -10.655 2.383 -5.073 111 HD13 LEU 14 3HD1 LEU 14 -11.448 3.955 -4.960 112 HD21 LEU 14 3HD2 LEU 14 -8.415 4.449 -7.113 113 HD22 LEU 14 1HD2 LEU 14 -10.168 4.660 -7.085 114 HD23 LEU 14 2HD2 LEU 14 -9.474 3.041 -7.092 115 H ASP 15 H ASP 15 -7.264 7.142 -2.783 116 HA ASP 15 HA ASP 15 -7.744 9.897 -3.487 117 HB2 ASP 15 2HB ASP 15 -9.025 10.297 -1.446 118 HB3 ASP 15 1HB ASP 15 -9.755 9.059 -2.478 119 H THR 16 H THR 16 -6.870 11.392 -1.943 120 HA THR 16 HA THR 16 -4.253 10.467 -1.078 121 HB THR 16 HB THR 16 -3.732 12.930 -1.199 122 HG1 THR 16 1HG THR 16 -6.075 13.401 -0.986 123 HG21 THR 16 3HG2 THR 16 -3.304 11.380 -3.127 124 HG22 THR 16 1HG2 THR 16 -3.682 13.027 -3.645 125 HG23 THR 16 2HG2 THR 16 -4.907 11.768 -3.735 126 H LEU 17 H LEU 17 -3.921 10.277 1.087 127 HA LEU 17 HA LEU 17 -5.903 11.421 2.857 128 HB2 LEU 17 2HB LEU 17 -3.766 9.363 3.322 129 HB3 LEU 17 1HB LEU 17 -4.838 9.941 4.581 130 HG LEU 17 HG LEU 17 -5.557 8.207 2.181 131 HD11 LEU 17 1HD1 LEU 17 -4.471 7.070 3.981 132 HD12 LEU 17 2HD1 LEU 17 -6.174 6.625 3.857 133 HD13 LEU 17 3HD1 LEU 17 -5.641 7.728 5.127 134 HD21 LEU 17 3HD2 LEU 17 -7.370 9.404 4.291 135 HD22 LEU 17 1HD2 LEU 17 -7.836 8.229 3.062 136 HD23 LEU 17 2HD2 LEU 17 -7.356 9.853 2.584 137 HA PRO 18 HA PRO 18 -3.135 14.533 4.513 138 HB2 PRO 18 2HB PRO 18 -4.296 13.866 7.158 139 HB3 PRO 18 1HB PRO 18 -4.305 15.417 6.294 140 HG2 PRO 18 2HG PRO 18 -6.521 14.006 6.521 141 HG3 PRO 18 1HG PRO 18 -6.136 14.884 5.026 142 HD2 PRO 18 2HD PRO 18 -5.908 11.965 5.591 143 HD3 PRO 18 1HD PRO 18 -6.468 12.811 4.131 144 H ASN 19 H ASN 19 -1.265 14.710 5.757 145 HA ASN 19 HA ASN 19 0.546 14.189 6.994 146 HB2 ASN 19 2HB ASN 19 -1.109 11.868 8.019 147 HB3 ASN 19 1HB ASN 19 0.487 12.273 8.627 148 HD21 ASN 19 1HD2 ASN 19 -2.069 12.216 10.018 149 HD22 ASN 19 2HD2 ASN 19 -2.280 13.810 10.659 150 H ALA 20 H ALA 20 0.103 13.156 4.316 151 HA ALA 20 HA ALA 20 1.381 12.107 2.729 152 HB1 ALA 20 1HB ALA 20 3.303 12.960 4.034 153 HB2 ALA 20 2HB ALA 20 3.660 11.413 3.277 154 HB3 ALA 20 3HB ALA 20 3.289 11.484 5.000 155 H MET 21 H MET 21 -0.732 10.773 4.073 156 HA MET 21 HA MET 21 0.067 7.935 3.918 157 HB2 MET 21 2HB MET 21 -1.335 9.121 5.984 158 HB3 MET 21 1HB MET 21 -2.599 8.806 4.790 159 HG2 MET 21 2HG MET 21 -2.592 7.087 6.393 160 HG3 MET 21 1HG MET 21 -2.113 6.453 4.814 161 HE1 MET 21 3HE MET 21 -1.259 4.224 6.071 162 HE2 MET 21 1HE MET 21 -1.737 4.918 7.622 163 HE3 MET 21 2HE MET 21 -0.117 4.253 7.416 164 H PHE 22 H PHE 22 -1.541 6.705 2.673 165 HA PHE 22 HA PHE 22 -3.326 8.258 0.969 166 HB2 PHE 22 2HB PHE 22 -1.144 6.452 -0.124 167 HB3 PHE 22 1HB PHE 22 -2.517 6.995 -1.076 168 HD1 PHE 22 1HD PHE 22 -2.701 9.331 -1.751 169 HD2 PHE 22 2HD PHE 22 0.677 7.937 0.416 170 HE1 PHE 22 1HE PHE 22 -1.469 11.391 -2.335 171 HE2 PHE 22 2HE PHE 22 1.899 9.993 -0.171 172 HZ PHE 22 HZ PHE 22 0.822 11.714 -1.544 173 H LYS 23 H LYS 23 -5.100 7.091 0.208 174 HA LYS 23 HA LYS 23 -5.354 4.480 1.413 175 HB2 LYS 23 2HB LYS 23 -7.261 5.841 1.911 176 HB3 LYS 23 1HB LYS 23 -7.404 6.367 0.239 177 HG2 LYS 23 2HG LYS 23 -8.134 4.196 -0.457 178 HG3 LYS 23 1HG LYS 23 -7.801 3.521 1.134 179 HD2 LYS 23 2HD LYS 23 -9.625 4.616 2.103 180 HD3 LYS 23 1HD LYS 23 -9.752 5.769 0.772 181 HE2 LYS 23 2HE LYS 23 -11.533 4.040 0.759 182 HE3 LYS 23 1HE LYS 23 -10.562 4.064 -0.708 183 HZ1 LYS 23 3HZ LYS 23 -10.434 2.027 1.494 184 HZ2 LYS 23 1HZ LYS 23 -9.293 2.163 0.223 185 HZ3 LYS 23 2HZ LYS 23 -10.816 1.867 -0.170 186 H VAL 24 H VAL 24 -4.633 3.025 0.333 187 HA VAL 24 HA VAL 24 -4.803 3.119 -2.625 188 HB VAL 24 HB VAL 24 -2.748 1.581 -1.044 189 HG11 VAL 24 1HG1 VAL 24 -1.485 1.502 -3.074 190 HG12 VAL 24 2HG1 VAL 24 -2.771 2.373 -3.912 191 HG13 VAL 24 3HG1 VAL 24 -3.078 0.767 -3.252 192 HG21 VAL 24 3HG2 VAL 24 -1.116 3.373 -1.600 193 HG22 VAL 24 1HG2 VAL 24 -2.363 3.866 -0.456 194 HG23 VAL 24 2HG2 VAL 24 -2.474 4.375 -2.125 195 H GLU 25 H GLU 25 -5.816 1.469 -3.618 196 HA GLU 25 HA GLU 25 -6.503 -0.799 -1.945 197 HB2 GLU 25 2HB GLU 25 -7.862 0.506 -4.205 198 HB3 GLU 25 1HB GLU 25 -7.848 -1.249 -4.283 199 HG2 GLU 25 2HG GLU 25 -9.845 -0.686 -3.204 200 HG3 GLU 25 1HG GLU 25 -8.743 -1.254 -1.960 201 H LEU 26 H LEU 26 -5.393 -2.477 -2.116 202 HA LEU 26 HA LEU 26 -3.285 -2.929 -3.965 203 HB2 LEU 26 2HB LEU 26 -4.792 -4.865 -2.217 204 HB3 LEU 26 1HB LEU 26 -3.407 -5.317 -3.179 205 HG LEU 26 HG LEU 26 -3.358 -3.303 -0.931 206 HD11 LEU 26 1HD1 LEU 26 -2.161 -5.055 0.295 207 HD12 LEU 26 2HD1 LEU 26 -2.402 -6.168 -1.050 208 HD13 LEU 26 3HD1 LEU 26 -3.788 -5.583 -0.131 209 HD21 LEU 26 3HD2 LEU 26 -0.912 -3.566 -1.165 210 HD22 LEU 26 1HD2 LEU 26 -1.654 -2.862 -2.602 211 HD23 LEU 26 2HD2 LEU 26 -1.182 -4.558 -2.594 212 H GLU 27 H GLU 27 -3.128 -4.549 -5.612 213 HA GLU 27 HA GLU 27 -5.165 -4.729 -7.522 214 HB2 GLU 27 2HB GLU 27 -3.115 -6.907 -7.128 215 HB3 GLU 27 1HB GLU 27 -3.792 -6.316 -8.632 216 HG2 GLU 27 2HG GLU 27 -1.855 -4.840 -6.860 217 HG3 GLU 27 1HG GLU 27 -1.450 -5.679 -8.340 218 H ASN 28 H ASN 28 -4.653 -6.383 -4.656 219 HA ASN 28 HA ASN 28 -6.181 -8.783 -5.076 220 HB2 ASN 28 2HB ASN 28 -4.378 -8.943 -3.540 221 HB3 ASN 28 1HB ASN 28 -4.853 -7.481 -2.702 222 HD21 ASN 28 1HD2 ASN 28 -5.542 -10.897 -3.136 223 HD22 ASN 28 2HD2 ASN 28 -6.451 -11.059 -1.675 224 H GLY 29 H GLY 29 -7.115 -5.566 -4.601 225 HA2 GLY 29 2HA GLY 29 -9.285 -4.764 -4.401 226 HA3 GLY 29 1HA GLY 29 -9.826 -6.389 -4.000 227 H HIS 30 H HIS 30 -7.183 -5.442 -2.231 228 HA HIS 30 HA HIS 30 -8.800 -5.185 0.208 229 HB2 HIS 30 2HB HIS 30 -6.592 -6.649 -0.193 230 HB3 HIS 30 1HB HIS 30 -5.879 -5.060 0.093 231 HD1 HIS 30 1HD HIS 30 -6.678 -3.876 2.567 232 HD2 HIS 30 2HD HIS 30 -6.877 -8.030 2.155 233 HE1 HIS 30 1HE HIS 30 -6.770 -4.763 4.849 234 HE2 HIS 30 2HE HIS 30 -6.429 -7.208 4.565 235 H GLU 31 H GLU 31 -8.742 -3.260 1.326 236 HA GLU 31 HA GLU 31 -7.434 -1.068 -0.027 237 HB2 GLU 31 2HB GLU 31 -8.844 0.407 1.276 238 HB3 GLU 31 1HB GLU 31 -9.840 -0.795 0.490 239 HG2 GLU 31 2HG GLU 31 -10.097 -1.973 2.602 240 HG3 GLU 31 1HG GLU 31 -9.033 -0.799 3.389 241 H ILE 32 H ILE 32 -5.868 0.028 0.923 242 HA ILE 32 HA ILE 32 -5.014 -0.898 3.557 243 HB ILE 32 HB ILE 32 -2.655 -0.954 2.761 244 HG12 ILE 32 2HG1 ILE 32 -3.839 -0.870 0.029 245 HG13 ILE 32 1HG1 ILE 32 -3.115 0.553 0.799 246 HG21 ILE 32 1HG2 ILE 32 -2.827 -3.035 1.390 247 HG22 ILE 32 2HG2 ILE 32 -4.577 -2.796 1.344 248 HG23 ILE 32 3HG2 ILE 32 -3.751 -3.061 2.881 249 HD11 ILE 32 3HD1 ILE 32 -0.967 -0.630 0.907 250 HD12 ILE 32 1HD1 ILE 32 -1.547 -0.498 -0.754 251 HD13 ILE 32 2HD1 ILE 32 -1.704 -2.025 0.121 252 H LEU 33 H LEU 33 -3.896 0.648 4.742 253 HA LEU 33 HA LEU 33 -3.898 3.360 3.549 254 HB2 LEU 33 2HB LEU 33 -3.537 2.442 6.407 255 HB3 LEU 33 1HB LEU 33 -3.685 4.098 5.843 256 HG LEU 33 HG LEU 33 -5.860 2.028 5.657 257 HD11 LEU 33 1HD1 LEU 33 -5.408 2.615 7.992 258 HD12 LEU 33 2HD1 LEU 33 -6.949 3.298 7.471 259 HD13 LEU 33 3HD1 LEU 33 -5.525 4.329 7.593 260 HD21 LEU 33 3HD2 LEU 33 -5.900 4.999 5.164 261 HD22 LEU 33 1HD2 LEU 33 -7.313 3.944 5.149 262 HD23 LEU 33 2HD2 LEU 33 -6.045 3.731 3.943 263 H ALA 34 H ALA 34 -2.046 3.998 2.864 264 HA ALA 34 HA ALA 34 0.301 2.611 3.951 265 HB1 ALA 34 1HB ALA 34 -0.292 1.679 1.772 266 HB2 ALA 34 2HB ALA 34 1.266 2.502 1.732 267 HB3 ALA 34 3HB ALA 34 -0.163 3.286 1.053 268 H HIS 35 H HIS 35 2.174 3.769 4.071 269 HA HIS 35 HA HIS 35 1.763 6.691 3.874 270 HB2 HIS 35 2HB HIS 35 2.191 5.531 6.175 271 HB3 HIS 35 1HB HIS 35 3.849 5.386 5.607 272 HD1 HIS 35 1HD HIS 35 5.150 7.737 5.197 273 HD2 HIS 35 2HD HIS 35 1.450 7.993 7.086 274 HE1 HIS 35 1HE HIS 35 5.066 10.008 6.226 275 HE2 HIS 35 2HE HIS 35 2.642 10.222 6.899 276 H VAL 36 H VAL 36 3.403 7.889 2.936 277 HA VAL 36 HA VAL 36 5.168 6.383 1.253 278 HB VAL 36 HB VAL 36 5.927 8.564 0.336 279 HG11 VAL 36 1HG1 VAL 36 3.821 9.106 -0.792 280 HG12 VAL 36 2HG1 VAL 36 2.954 8.120 0.389 281 HG13 VAL 36 3HG1 VAL 36 4.107 7.369 -0.711 282 HG21 VAL 36 3HG2 VAL 36 4.688 10.604 0.932 283 HG22 VAL 36 1HG2 VAL 36 5.589 9.958 2.308 284 HG23 VAL 36 2HG2 VAL 36 3.847 9.700 2.191 285 H SER 37 H SER 37 7.394 6.544 1.111 286 HA SER 37 HA SER 37 8.701 6.290 3.578 287 HB2 SER 37 2HB SER 37 10.707 5.983 2.275 288 HB3 SER 37 1HB SER 37 9.400 5.240 1.357 289 HG SER 37 HG SER 37 10.010 6.466 -0.178 290 H GLY 38 H GLY 38 10.520 7.584 4.307 291 HA2 GLY 38 2HA GLY 38 9.955 10.288 4.606 292 HA3 GLY 38 1HA GLY 38 11.503 9.527 4.947 293 H LYS 39 H LYS 39 11.622 8.625 2.008 294 HA LYS 39 HA LYS 39 13.071 10.990 1.243 295 HB2 LYS 39 2HB LYS 39 14.093 8.748 0.888 296 HB3 LYS 39 1HB LYS 39 12.791 8.324 -0.206 297 HG2 LYS 39 2HG LYS 39 14.558 10.689 -0.786 298 HG3 LYS 39 1HG LYS 39 15.085 9.056 -1.179 299 HD2 LYS 39 2HD LYS 39 13.462 8.791 -2.817 300 HD3 LYS 39 1HD LYS 39 12.392 9.987 -2.087 301 HE2 LYS 39 2HE LYS 39 14.991 10.591 -3.500 302 HE3 LYS 39 1HE LYS 39 13.379 10.792 -4.191 303 HZ1 LYS 39 3HZ LYS 39 14.634 12.368 -2.004 304 HZ2 LYS 39 1HZ LYS 39 12.949 12.277 -2.184 305 HZ3 LYS 39 2HZ LYS 39 13.862 12.894 -3.429 306 H ILE 40 H ILE 40 10.136 9.363 0.424 307 HA ILE 40 HA ILE 40 9.661 11.049 -1.817 308 HB ILE 40 HB ILE 40 8.167 8.790 -0.545 309 HG12 ILE 40 2HG1 ILE 40 8.824 9.441 -3.404 310 HG13 ILE 40 1HG1 ILE 40 9.876 8.495 -2.347 311 HG21 ILE 40 1HG2 ILE 40 6.225 9.159 -2.024 312 HG22 ILE 40 2HG2 ILE 40 6.906 10.736 -2.452 313 HG23 ILE 40 3HG2 ILE 40 6.396 10.421 -0.799 314 HD11 ILE 40 3HD1 ILE 40 8.600 7.061 -3.837 315 HD12 ILE 40 1HD1 ILE 40 7.091 7.769 -3.259 316 HD13 ILE 40 2HD1 ILE 40 8.088 6.805 -2.169 317 H ARG 41 H ARG 41 8.659 10.991 1.536 318 HA ARG 41 HA ARG 41 6.724 13.043 1.431 319 HB2 ARG 41 2HB ARG 41 7.128 11.643 3.438 320 HB3 ARG 41 1HB ARG 41 8.672 12.447 3.680 321 HG2 ARG 41 2HG ARG 41 7.479 14.592 3.972 322 HG3 ARG 41 1HG ARG 41 5.948 13.736 3.813 323 HD2 ARG 41 2HD ARG 41 6.430 14.102 6.148 324 HD3 ARG 41 1HD ARG 41 6.543 12.381 5.793 325 HE ARG 41 HE ARG 41 9.071 13.174 5.510 326 HH11 ARG 41 1HH1 ARG 41 6.749 13.789 8.115 327 HH12 ARG 41 2HH1 ARG 41 7.884 13.848 9.374 328 HH21 ARG 41 1HH2 ARG 41 10.716 13.261 7.273 329 HH22 ARG 41 2HH2 ARG 41 10.220 13.540 8.869 330 H MET 42 H MET 42 10.231 13.131 1.672 331 HA MET 42 HA MET 42 10.505 15.975 1.989 332 HB2 MET 42 2HB MET 42 12.496 13.843 1.225 333 HB3 MET 42 1HB MET 42 12.914 15.532 1.442 334 HG2 MET 42 2HG MET 42 12.301 15.416 3.772 335 HG3 MET 42 1HG MET 42 11.745 13.754 3.565 336 HE1 MET 42 3HE MET 42 15.033 13.358 5.700 337 HE2 MET 42 1HE MET 42 13.304 13.018 5.622 338 HE3 MET 42 2HE MET 42 13.867 14.679 5.798 339 H ASN 43 H ASN 43 9.815 14.012 -0.655 340 HA ASN 43 HA ASN 43 11.317 15.674 -2.560 341 HB2 ASN 43 2HB ASN 43 11.301 13.038 -2.497 342 HB3 ASN 43 1HB ASN 43 9.737 13.279 -3.277 343 HD21 ASN 43 1HD2 ASN 43 9.644 14.009 -5.379 344 HD22 ASN 43 2HD2 ASN 43 11.056 14.105 -6.373 345 H TYR 44 H TYR 44 10.218 16.717 -4.182 346 HA TYR 44 HA TYR 44 7.434 17.173 -3.782 347 HB2 TYR 44 2HB TYR 44 9.329 18.005 -5.945 348 HB3 TYR 44 1HB TYR 44 7.647 18.554 -5.871 349 HD1 TYR 44 1HD TYR 44 6.943 19.902 -3.820 350 HD2 TYR 44 2HD TYR 44 11.022 19.113 -4.737 351 HE1 TYR 44 1HE TYR 44 7.626 21.740 -2.338 352 HE2 TYR 44 2HE TYR 44 11.715 20.947 -3.255 353 HH TYR 44 HH TYR 44 9.626 22.403 -1.043 354 H ILE 45 H ILE 45 6.660 15.116 -3.961 355 HA ILE 45 HA ILE 45 6.899 13.742 -6.458 356 HB ILE 45 HB ILE 45 5.309 12.065 -5.359 357 HG12 ILE 45 2HG1 ILE 45 5.485 12.010 -2.833 358 HG13 ILE 45 1HG1 ILE 45 6.151 13.632 -2.879 359 HG21 ILE 45 1HG2 ILE 45 7.667 11.733 -5.809 360 HG22 ILE 45 2HG2 ILE 45 7.153 10.924 -4.350 361 HG23 ILE 45 3HG2 ILE 45 8.074 12.433 -4.241 362 HD11 ILE 45 3HD1 ILE 45 3.381 12.782 -3.712 363 HD12 ILE 45 1HD1 ILE 45 4.013 14.426 -3.800 364 HD13 ILE 45 2HD1 ILE 45 3.822 13.637 -2.235 365 H ARG 46 H ARG 46 4.932 12.821 -7.464 366 HA ARG 46 HA ARG 46 2.600 14.500 -7.167 367 HB2 ARG 46 2HB ARG 46 4.081 13.855 -9.691 368 HB3 ARG 46 1HB ARG 46 2.336 14.046 -9.746 369 HG2 ARG 46 2HG ARG 46 2.514 16.268 -9.732 370 HG3 ARG 46 1HG ARG 46 3.544 16.228 -8.304 371 HD2 ARG 46 2HD ARG 46 4.554 15.687 -11.088 372 HD3 ARG 46 1HD ARG 46 4.541 17.292 -10.361 373 HE ARG 46 HE ARG 46 5.817 15.938 -8.507 374 HH11 ARG 46 1HH1 ARG 46 6.291 15.833 -12.011 375 HH12 ARG 46 2HH1 ARG 46 7.974 15.605 -11.956 376 HH21 ARG 46 1HH2 ARG 46 8.146 15.650 -8.383 377 HH22 ARG 46 2HH2 ARG 46 9.076 15.492 -9.803 378 H ILE 47 H ILE 47 1.091 13.241 -6.414 379 HA ILE 47 HA ILE 47 0.886 10.524 -7.473 380 HB ILE 47 HB ILE 47 -0.029 11.577 -4.775 381 HG12 ILE 47 2HG1 ILE 47 2.416 11.232 -4.868 382 HG13 ILE 47 1HG1 ILE 47 1.644 10.096 -3.772 383 HG21 ILE 47 1HG2 ILE 47 -1.567 9.919 -5.670 384 HG22 ILE 47 2HG2 ILE 47 -0.700 9.266 -4.278 385 HG23 ILE 47 3HG2 ILE 47 -0.237 8.789 -5.914 386 HD11 ILE 47 3HD1 ILE 47 3.394 9.025 -5.066 387 HD12 ILE 47 1HD1 ILE 47 2.610 9.511 -6.570 388 HD13 ILE 47 2HD1 ILE 47 1.821 8.355 -5.498 389 H LEU 48 H LEU 48 -0.809 10.313 -8.712 390 HA LEU 48 HA LEU 48 -3.032 12.201 -8.431 391 HB2 LEU 48 2HB LEU 48 -1.774 12.214 -10.575 392 HB3 LEU 48 1HB LEU 48 -2.132 10.512 -10.770 393 HG LEU 48 HG LEU 48 -4.561 11.140 -10.768 394 HD11 LEU 48 1HD1 LEU 48 -4.367 13.367 -9.776 395 HD12 LEU 48 2HD1 LEU 48 -5.141 13.443 -11.357 396 HD13 LEU 48 3HD1 LEU 48 -3.453 13.914 -11.181 397 HD21 LEU 48 3HD2 LEU 48 -4.532 11.835 -13.131 398 HD22 LEU 48 1HD2 LEU 48 -3.386 10.534 -12.803 399 HD23 LEU 48 2HD2 LEU 48 -2.810 12.190 -12.988 400 HA PRO 49 HA PRO 49 -5.511 8.565 -7.164 401 HB2 PRO 49 2HB PRO 49 -7.511 10.142 -8.770 402 HB3 PRO 49 1HB PRO 49 -7.731 9.355 -7.188 403 HG2 PRO 49 2HG PRO 49 -7.438 11.924 -7.210 404 HG3 PRO 49 1HG PRO 49 -6.501 10.961 -6.051 405 HD2 PRO 49 2HD PRO 49 -5.576 12.218 -8.593 406 HD3 PRO 49 1HD PRO 49 -4.752 12.109 -7.019 407 H GLY 50 H GLY 50 -5.495 6.704 -8.295 408 HA2 GLY 50 2HA GLY 50 -5.968 5.426 -10.285 409 HA3 GLY 50 1HA GLY 50 -5.649 6.878 -11.234 410 H ASP 51 H ASP 51 -3.345 7.038 -8.972 411 HA ASP 51 HA ASP 51 -1.365 5.799 -10.652 412 HB2 ASP 51 2HB ASP 51 -1.214 7.550 -8.241 413 HB3 ASP 51 1HB ASP 51 0.155 6.504 -8.597 414 H LYS 52 H LYS 52 0.212 4.306 -9.858 415 HA LYS 52 HA LYS 52 -1.045 2.490 -7.971 416 HB2 LYS 52 2HB LYS 52 0.888 1.868 -10.201 417 HB3 LYS 52 1HB LYS 52 0.082 0.705 -9.157 418 HG2 LYS 52 2HG LYS 52 -2.099 1.497 -10.097 419 HG3 LYS 52 1HG LYS 52 -1.183 2.464 -11.250 420 HD2 LYS 52 2HD LYS 52 -1.595 0.546 -12.474 421 HD3 LYS 52 1HD LYS 52 -0.015 0.190 -11.790 422 HE2 LYS 52 2HE LYS 52 -2.682 -0.795 -10.791 423 HE3 LYS 52 1HE LYS 52 -1.454 -1.740 -11.614 424 HZ1 LYS 52 3HZ LYS 52 -1.368 -0.639 -8.863 425 HZ2 LYS 52 1HZ LYS 52 0.016 -1.308 -9.600 426 HZ3 LYS 52 2HZ LYS 52 -1.393 -2.226 -9.384 427 H VAL 53 H VAL 53 0.362 1.549 -6.464 428 HA VAL 53 HA VAL 53 3.001 2.748 -6.390 429 HB VAL 53 HB VAL 53 2.921 3.199 -4.004 430 HG11 VAL 53 1HG1 VAL 53 2.449 5.061 -5.486 431 HG12 VAL 53 2HG1 VAL 53 1.502 5.219 -4.008 432 HG13 VAL 53 3HG1 VAL 53 0.734 4.655 -5.493 433 HG21 VAL 53 3HG2 VAL 53 -0.020 2.565 -4.171 434 HG22 VAL 53 1HG2 VAL 53 0.789 3.256 -2.764 435 HG23 VAL 53 2HG2 VAL 53 1.204 1.629 -3.311 436 H THR 54 H THR 54 4.523 1.631 -5.328 437 HA THR 54 HA THR 54 3.931 -1.166 -4.952 438 HB THR 54 HB THR 54 6.591 0.272 -4.871 439 HG1 THR 54 1HG THR 54 4.939 -0.472 -7.066 440 HG21 THR 54 3HG2 THR 54 7.464 -1.929 -5.558 441 HG22 THR 54 1HG2 THR 54 5.823 -2.578 -5.568 442 HG23 THR 54 2HG2 THR 54 6.554 -2.053 -4.052 443 H VAL 55 H VAL 55 3.549 -1.779 -2.972 444 HA VAL 55 HA VAL 55 4.345 -0.035 -0.763 445 HB VAL 55 HB VAL 55 1.891 -0.158 -1.153 446 HG11 VAL 55 1HG1 VAL 55 1.601 -2.414 -1.986 447 HG12 VAL 55 2HG1 VAL 55 0.615 -2.194 -0.539 448 HG13 VAL 55 3HG1 VAL 55 2.113 -3.082 -0.441 449 HG21 VAL 55 3HG2 VAL 55 1.231 -0.643 1.170 450 HG22 VAL 55 1HG2 VAL 55 2.683 0.357 1.058 451 HG23 VAL 55 2HG2 VAL 55 2.823 -1.359 1.429 452 H GLU 56 H GLU 56 5.594 -0.848 0.769 453 HA GLU 56 HA GLU 56 6.220 -3.693 0.735 454 HB2 GLU 56 2HB GLU 56 8.020 -3.087 2.328 455 HB3 GLU 56 1HB GLU 56 8.117 -2.057 0.907 456 HG2 GLU 56 2HG GLU 56 7.049 -0.249 2.112 457 HG3 GLU 56 1HG GLU 56 6.839 -1.277 3.518 458 H MET 57 H MET 57 5.226 -4.990 2.142 459 HA MET 57 HA MET 57 4.262 -3.916 4.626 460 HB2 MET 57 2HB MET 57 1.971 -4.913 4.253 461 HB3 MET 57 1HB MET 57 2.313 -3.377 3.453 462 HG2 MET 57 2HG MET 57 2.449 -4.452 1.367 463 HG3 MET 57 1HG MET 57 2.585 -6.027 2.155 464 HE1 MET 57 3HE MET 57 0.089 -3.491 3.637 465 HE2 MET 57 1HE MET 57 -1.317 -3.630 2.597 466 HE3 MET 57 2HE MET 57 0.166 -2.886 1.974 467 H SER 58 H SER 58 3.583 -5.431 6.131 468 HA SER 58 HA SER 58 4.844 -7.926 5.848 469 HB2 SER 58 2HB SER 58 3.863 -7.998 8.240 470 HB3 SER 58 1HB SER 58 5.113 -6.794 7.862 471 HG SER 58 HG SER 58 2.912 -6.170 8.941 472 HA PRO 59 HA PRO 59 1.024 -9.716 4.143 473 HB2 PRO 59 2HB PRO 59 2.322 -12.230 5.061 474 HB3 PRO 59 1HB PRO 59 1.721 -11.804 3.444 475 HG2 PRO 59 2HG PRO 59 4.299 -11.873 3.879 476 HG3 PRO 59 1HG PRO 59 3.584 -10.575 2.899 477 HD2 PRO 59 2HD PRO 59 4.529 -10.473 5.731 478 HD3 PRO 59 1HD PRO 59 4.728 -9.294 4.409 479 H TYR 60 H TYR 60 2.185 -9.929 7.305 480 HA TYR 60 HA TYR 60 0.027 -11.505 8.379 481 HB2 TYR 60 2HB TYR 60 2.322 -11.483 9.383 482 HB3 TYR 60 1HB TYR 60 2.076 -9.803 9.830 483 HD1 TYR 60 2HD TYR 60 0.813 -13.243 10.396 484 HD2 TYR 60 1HD TYR 60 0.989 -9.255 11.869 485 HE1 TYR 60 2HE TYR 60 -0.186 -13.988 12.515 486 HE2 TYR 60 1HE TYR 60 -0.010 -9.991 13.993 487 HH TYR 60 HH TYR 60 -1.413 -11.834 14.815 488 H ASP 61 H ASP 61 0.483 -8.208 7.478 489 HA ASP 61 HA ASP 61 -1.839 -7.413 9.119 490 HB2 ASP 61 2HB ASP 61 0.353 -5.871 9.180 491 HB3 ASP 61 1HB ASP 61 -0.139 -5.383 7.580 492 H LEU 62 H LEU 62 -0.353 -6.599 6.090 493 HA LEU 62 HA LEU 62 -1.009 -6.311 3.979 494 HB2 LEU 62 2HB LEU 62 -1.856 -8.736 4.515 495 HB3 LEU 62 1HB LEU 62 -3.440 -7.995 4.404 496 HG LEU 62 HG LEU 62 -2.543 -7.123 2.075 497 HD11 LEU 62 1HD1 LEU 62 -0.280 -7.791 2.370 498 HD12 LEU 62 2HD1 LEU 62 -1.017 -8.648 1.016 499 HD13 LEU 62 3HD1 LEU 62 -0.769 -9.477 2.552 500 HD21 LEU 62 3HD2 LEU 62 -4.440 -8.666 2.360 501 HD22 LEU 62 1HD2 LEU 62 -3.316 -10.014 2.535 502 HD23 LEU 62 2HD2 LEU 62 -3.421 -9.147 1.003 503 H THR 63 H THR 63 -2.575 -4.804 6.409 504 HA THR 63 HA THR 63 -4.443 -3.681 4.506 505 HB THR 63 HB THR 63 -5.348 -4.747 6.747 506 HG1 THR 63 1HG THR 63 -6.160 -2.139 5.951 507 HG21 THR 63 3HG2 THR 63 -5.609 -3.121 8.584 508 HG22 THR 63 1HG2 THR 63 -4.598 -1.967 7.713 509 HG23 THR 63 2HG2 THR 63 -3.902 -3.473 8.311 510 H ARG 64 H ARG 64 -1.489 -3.220 5.841 511 HA ARG 64 HA ARG 64 -1.468 -0.487 5.028 512 HB2 ARG 64 2HB ARG 64 -0.400 0.220 7.195 513 HB3 ARG 64 1HB ARG 64 -2.159 -0.123 7.205 514 HG2 ARG 64 2HG ARG 64 -1.345 -2.419 7.986 515 HG3 ARG 64 1HG ARG 64 0.097 -1.515 8.464 516 HD2 ARG 64 2HD ARG 64 -1.133 -0.097 9.869 517 HD3 ARG 64 1HD ARG 64 -2.655 -0.615 9.119 518 HE ARG 64 HE ARG 64 -1.719 -2.916 10.029 519 HH11 ARG 64 1HH1 ARG 64 -2.129 0.103 11.787 520 HH12 ARG 64 2HH1 ARG 64 -2.399 -0.663 13.292 521 HH21 ARG 64 1HH2 ARG 64 -2.032 -3.906 11.842 522 HH22 ARG 64 2HH2 ARG 64 -2.349 -3.160 13.365 523 H GLY 65 H GLY 65 0.608 0.382 4.775 524 HA2 GLY 65 2HA GLY 65 2.944 -1.280 5.078 525 HA3 GLY 65 1HA GLY 65 2.312 -1.214 3.465 526 H ARG 66 H ARG 66 4.523 -0.198 3.190 527 HA ARG 66 HA ARG 66 4.120 2.702 3.270 528 HB2 ARG 66 2HB ARG 66 5.794 2.305 4.930 529 HB3 ARG 66 1HB ARG 66 6.668 1.198 3.884 530 HG2 ARG 66 2HG ARG 66 7.312 3.013 2.427 531 HG3 ARG 66 1HG ARG 66 6.339 4.144 3.360 532 HD2 ARG 66 2HD ARG 66 8.708 4.238 3.743 533 HD3 ARG 66 1HD ARG 66 7.783 3.945 5.234 534 HE ARG 66 HE ARG 66 8.945 1.653 3.784 535 HH11 ARG 66 1HH1 ARG 66 9.318 3.755 6.611 536 HH12 ARG 66 2HH1 ARG 66 10.248 2.613 7.487 537 HH21 ARG 66 1HH2 ARG 66 10.075 0.130 4.944 538 HH22 ARG 66 2HH2 ARG 66 10.728 0.419 6.480 539 H ILE 67 H ILE 67 4.752 3.841 1.514 540 HA ILE 67 HA ILE 67 4.991 2.409 -0.966 541 HB ILE 67 HB ILE 67 4.865 5.333 -0.286 542 HG12 ILE 67 2HG1 ILE 67 2.915 5.168 -1.967 543 HG13 ILE 67 1HG1 ILE 67 3.143 3.427 -1.754 544 HG21 ILE 67 1HG2 ILE 67 6.480 5.238 -1.955 545 HG22 ILE 67 2HG2 ILE 67 5.005 5.956 -2.624 546 HG23 ILE 67 3HG2 ILE 67 5.451 4.279 -3.023 547 HD11 ILE 67 3HD1 ILE 67 1.367 4.272 -0.317 548 HD12 ILE 67 1HD1 ILE 67 2.517 5.388 0.432 549 HD13 ILE 67 2HD1 ILE 67 2.743 3.658 0.618 550 H THR 68 H THR 68 6.771 1.771 -1.854 551 HA THR 68 HA THR 68 9.308 3.030 -1.106 552 HB THR 68 HB THR 68 10.250 1.013 -2.290 553 HG1 THR 68 1HG THR 68 8.728 -0.738 -2.557 554 HG21 THR 68 3HG2 THR 68 8.437 0.506 0.073 555 HG22 THR 68 1HG2 THR 68 10.093 1.106 0.152 556 HG23 THR 68 2HG2 THR 68 9.773 -0.530 -0.427 557 H TYR 69 H TYR 69 7.045 2.585 -3.698 558 HA TYR 69 HA TYR 69 8.547 4.269 -5.516 559 HB2 TYR 69 2HB TYR 69 9.457 1.965 -5.819 560 HB3 TYR 69 1HB TYR 69 7.821 1.421 -6.145 561 HD1 TYR 69 1HD TYR 69 10.314 3.888 -7.460 562 HD2 TYR 69 2HD TYR 69 7.115 1.225 -8.348 563 HE1 TYR 69 1HE TYR 69 10.618 4.328 -9.862 564 HE2 TYR 69 2HE TYR 69 7.408 1.659 -10.749 565 HH TYR 69 HH TYR 69 10.130 3.230 -12.014 566 H ARG 70 H ARG 70 7.169 4.833 -7.388 567 HA ARG 70 HA ARG 70 4.488 3.878 -7.167 568 HB2 ARG 70 2HB ARG 70 3.498 6.131 -7.752 569 HB3 ARG 70 1HB ARG 70 4.137 5.970 -6.143 570 HG2 ARG 70 2HG ARG 70 4.567 8.185 -6.974 571 HG3 ARG 70 1HG ARG 70 6.090 7.337 -6.804 572 HD2 ARG 70 2HD ARG 70 5.592 8.841 -8.909 573 HD3 ARG 70 1HD ARG 70 6.479 7.333 -9.081 574 HE ARG 70 HE ARG 70 4.834 6.489 -10.283 575 HH11 ARG 70 1HH1 ARG 70 3.366 9.484 -8.830 576 HH12 ARG 70 2HH1 ARG 70 1.928 9.265 -9.687 577 HH21 ARG 70 1HH2 ARG 70 2.808 6.389 -11.478 578 HH22 ARG 70 2HH2 ARG 70 1.619 7.570 -11.192 579 H TYR 71 H TYR 71 3.530 3.254 -8.872 580 HA TYR 71 HA TYR 71 4.975 3.498 -11.397 581 HB2 TYR 71 2HB TYR 71 4.785 1.205 -10.481 582 HB3 TYR 71 1HB TYR 71 3.040 1.372 -10.418 583 HD1 TYR 71 2HD TYR 71 5.916 1.329 -12.783 584 HD2 TYR 71 1HD TYR 71 1.749 0.759 -12.245 585 HE1 TYR 71 2HE TYR 71 5.751 0.433 -15.070 586 HE2 TYR 71 1HE TYR 71 1.563 -0.143 -14.527 587 HH TYR 71 HH TYR 71 2.783 0.033 -16.611 588 H LYS 72 H LYS 72 3.694 3.956 -13.307 589 HA LYS 72 HA LYS 72 1.234 5.358 -12.655 590 HB2 LYS 72 2HB LYS 72 2.782 6.625 -14.037 591 HB3 LYS 72 1HB LYS 72 2.877 5.309 -15.191 592 HG2 LYS 72 2HG LYS 72 1.504 7.018 -16.144 593 HG3 LYS 72 1HG LYS 72 0.465 5.667 -15.726 594 HD2 LYS 72 2HD LYS 72 0.672 7.739 -13.630 595 HD3 LYS 72 1HD LYS 72 -0.018 8.317 -15.136 596 HE2 LYS 72 2HE LYS 72 -1.885 7.659 -13.851 597 HE3 LYS 72 1HE LYS 72 -1.635 6.312 -14.948 598 HZ1 LYS 72 3HZ LYS 72 -2.112 5.694 -12.590 599 HZ2 LYS 72 1HZ LYS 72 -0.667 6.438 -12.168 600 HZ3 LYS 72 2HZ LYS 72 -0.696 5.018 -13.150 Start of MODEL 11 1 H1 MET 1 1HT MET 1 11.446 -9.179 -3.491 2 H2 MET 1 2HT MET 1 12.088 -9.072 -1.889 3 H3 MET 1 3HT MET 1 10.483 -8.651 -2.200 4 HA MET 1 HA MET 1 9.778 -10.721 -2.594 5 HB2 MET 1 2HB MET 1 12.659 -11.650 -2.284 6 HB3 MET 1 1HB MET 1 11.269 -12.709 -2.407 7 HG2 MET 1 2HG MET 1 12.369 -12.662 -4.524 8 HG3 MET 1 1HG MET 1 10.838 -11.807 -4.679 9 HE1 MET 1 2HE MET 1 14.742 -11.549 -4.599 10 HE2 MET 1 3HE MET 1 14.338 -10.600 -3.168 11 HE3 MET 1 1HE MET 1 15.013 -9.806 -4.589 12 H ALA 2 H ALA 2 8.832 -9.889 -0.748 13 HA ALA 2 HA ALA 2 9.989 -10.930 1.718 14 HB1 ALA 2 1HB ALA 2 9.024 -8.961 2.845 15 HB2 ALA 2 2HB ALA 2 8.503 -8.331 1.283 16 HB3 ALA 2 3HB ALA 2 10.223 -8.493 1.638 17 H LYS 3 H LYS 3 8.778 -12.601 2.142 18 HA LYS 3 HA LYS 3 5.883 -12.342 2.183 19 HB2 LYS 3 2HB LYS 3 7.431 -14.479 0.691 20 HB3 LYS 3 1HB LYS 3 5.749 -14.689 1.157 21 HG2 LYS 3 2HG LYS 3 6.715 -12.398 -0.552 22 HG3 LYS 3 1HG LYS 3 6.123 -13.924 -1.217 23 HD2 LYS 3 2HD LYS 3 3.952 -13.575 -0.334 24 HD3 LYS 3 1HD LYS 3 4.496 -12.269 0.710 25 HE2 LYS 3 2HE LYS 3 4.529 -12.135 -2.305 26 HE3 LYS 3 1HE LYS 3 3.193 -11.551 -1.313 27 HZ1 LYS 3 3HZ LYS 3 5.982 -10.410 -1.399 28 HZ2 LYS 3 1HZ LYS 3 4.889 -10.124 -0.170 29 HZ3 LYS 3 2HZ LYS 3 4.529 -9.661 -1.703 30 H GLN 4 H GLN 4 7.805 -12.224 4.203 31 HA GLN 4 HA GLN 4 7.041 -14.519 5.772 32 HB2 GLN 4 2HB GLN 4 9.527 -14.486 6.685 33 HB3 GLN 4 1HB GLN 4 9.094 -15.428 5.270 34 HG2 GLN 4 2HG GLN 4 9.977 -13.707 3.806 35 HG3 GLN 4 1HG GLN 4 10.324 -12.664 5.178 36 HE21 GLN 4 1HE2 GLN 4 12.128 -13.022 6.384 37 HE22 GLN 4 2HE2 GLN 4 13.331 -14.187 5.951 38 H ASP 5 H ASP 5 9.469 -12.095 6.578 39 HA ASP 5 HA ASP 5 8.057 -11.329 8.932 40 HB2 ASP 5 2HB ASP 5 10.044 -9.644 9.020 41 HB3 ASP 5 1HB ASP 5 10.381 -11.362 9.231 42 H VAL 6 H VAL 6 9.181 -9.535 6.242 43 HA VAL 6 HA VAL 6 6.865 -7.733 6.502 44 HB VAL 6 HB VAL 6 9.331 -7.382 4.733 45 HG11 VAL 6 1HG1 VAL 6 7.419 -6.106 3.936 46 HG12 VAL 6 2HG1 VAL 6 8.661 -5.027 4.575 47 HG13 VAL 6 3HG1 VAL 6 7.221 -5.378 5.531 48 HG21 VAL 6 3HG2 VAL 6 10.133 -5.742 6.384 49 HG22 VAL 6 1HG2 VAL 6 10.011 -7.364 7.069 50 HG23 VAL 6 2HG2 VAL 6 8.779 -6.156 7.436 51 H ILE 7 H ILE 7 5.611 -7.313 4.549 52 HA ILE 7 HA ILE 7 5.824 -9.385 2.456 53 HB ILE 7 HB ILE 7 3.291 -8.068 3.487 54 HG12 ILE 7 2HG1 ILE 7 4.187 -9.563 5.246 55 HG13 ILE 7 1HG1 ILE 7 2.670 -10.156 4.591 56 HG21 ILE 7 1HG2 ILE 7 2.115 -9.792 2.203 57 HG22 ILE 7 2HG2 ILE 7 3.665 -10.398 1.623 58 HG23 ILE 7 3HG2 ILE 7 3.138 -8.774 1.188 59 HD11 ILE 7 3HD1 ILE 7 5.423 -11.185 3.950 60 HD12 ILE 7 1HD1 ILE 7 3.920 -11.779 3.242 61 HD13 ILE 7 2HD1 ILE 7 4.217 -11.967 4.970 62 H GLU 8 H GLU 8 6.143 -8.308 0.380 63 HA GLU 8 HA GLU 8 5.110 -5.587 0.339 64 HB2 GLU 8 2HB GLU 8 6.450 -5.093 -1.586 65 HB3 GLU 8 1HB GLU 8 7.501 -5.941 -0.473 66 HG2 GLU 8 2HG GLU 8 6.105 -7.424 -2.641 67 HG3 GLU 8 1HG GLU 8 7.556 -6.492 -3.027 68 H LEU 9 H LEU 9 3.463 -5.020 -0.895 69 HA LEU 9 HA LEU 9 2.313 -7.027 -2.692 70 HB2 LEU 9 2HB LEU 9 0.766 -5.307 -0.730 71 HB3 LEU 9 1HB LEU 9 0.041 -6.301 -1.971 72 HG LEU 9 HG LEU 9 1.514 -7.270 0.500 73 HD11 LEU 9 1HD1 LEU 9 -0.730 -6.495 0.918 74 HD12 LEU 9 2HD1 LEU 9 -0.620 -8.247 1.078 75 HD13 LEU 9 3HD1 LEU 9 -1.347 -7.538 -0.364 76 HD21 LEU 9 3HD2 LEU 9 0.310 -8.875 -1.766 77 HD22 LEU 9 1HD2 LEU 9 0.949 -9.534 -0.259 78 HD23 LEU 9 2HD2 LEU 9 2.032 -8.739 -1.399 79 H GLU 10 H GLU 10 0.790 -6.019 -4.236 80 HA GLU 10 HA GLU 10 1.867 -3.405 -5.061 81 HB2 GLU 10 2HB GLU 10 0.873 -5.794 -6.573 82 HB3 GLU 10 1HB GLU 10 0.867 -4.205 -7.318 83 HG2 GLU 10 2HG GLU 10 3.333 -5.441 -6.131 84 HG3 GLU 10 1HG GLU 10 2.856 -5.663 -7.817 85 H GLY 11 H GLY 11 0.500 -1.787 -4.923 86 HA2 GLY 11 2HA GLY 11 -2.359 -2.455 -5.015 87 HA3 GLY 11 1HA GLY 11 -1.752 -1.311 -3.837 88 H THR 12 H THR 12 -3.686 -0.626 -5.396 89 HA THR 12 HA THR 12 -2.437 1.284 -7.261 90 HB THR 12 HB THR 12 -5.262 0.210 -7.379 91 HG1 THR 12 1HG THR 12 -3.014 -1.005 -7.947 92 HG21 THR 12 3HG2 THR 12 -3.570 1.693 -9.411 93 HG22 THR 12 1HG2 THR 12 -4.849 2.412 -8.436 94 HG23 THR 12 2HG2 THR 12 -5.245 1.179 -9.639 95 H VAL 13 H VAL 13 -2.785 3.347 -6.679 96 HA VAL 13 HA VAL 13 -4.380 3.706 -4.289 97 HB VAL 13 HB VAL 13 -2.182 4.636 -4.044 98 HG11 VAL 13 1HG1 VAL 13 -1.563 4.816 -6.220 99 HG12 VAL 13 2HG1 VAL 13 -1.288 6.339 -5.356 100 HG13 VAL 13 3HG1 VAL 13 -2.648 6.198 -6.509 101 HG21 VAL 13 3HG2 VAL 13 -2.641 7.003 -3.530 102 HG22 VAL 13 1HG2 VAL 13 -3.946 5.948 -2.971 103 HG23 VAL 13 2HG2 VAL 13 -4.157 6.878 -4.436 104 H LEU 14 H LEU 14 -6.204 4.734 -4.118 105 HA LEU 14 HA LEU 14 -7.210 5.844 -6.613 106 HB2 LEU 14 2HB LEU 14 -8.701 4.566 -4.343 107 HB3 LEU 14 1HB LEU 14 -9.513 5.585 -5.507 108 HG LEU 14 HG LEU 14 -8.669 4.000 -7.300 109 HD11 LEU 14 1HD1 LEU 14 -8.078 2.231 -4.948 110 HD12 LEU 14 2HD1 LEU 14 -6.905 2.902 -6.078 111 HD13 LEU 14 3HD1 LEU 14 -8.100 1.730 -6.639 112 HD21 LEU 14 3HD2 LEU 14 -10.441 2.359 -6.887 113 HD22 LEU 14 1HD2 LEU 14 -10.974 4.010 -6.571 114 HD23 LEU 14 2HD2 LEU 14 -10.577 2.939 -5.227 115 H ASP 15 H ASP 15 -6.694 6.654 -3.248 116 HA ASP 15 HA ASP 15 -7.731 9.336 -3.902 117 HB2 ASP 15 2HB ASP 15 -8.164 7.938 -1.286 118 HB3 ASP 15 1HB ASP 15 -8.740 9.536 -1.700 119 H THR 16 H THR 16 -6.813 11.016 -2.700 120 HA THR 16 HA THR 16 -4.137 10.449 -1.686 121 HB THR 16 HB THR 16 -3.923 12.969 -1.962 122 HG1 THR 16 1HG THR 16 -6.297 13.182 -1.949 123 HG21 THR 16 3HG2 THR 16 -3.699 12.873 -4.402 124 HG22 THR 16 1HG2 THR 16 -4.699 11.422 -4.445 125 HG23 THR 16 2HG2 THR 16 -3.114 11.368 -3.687 126 H LEU 17 H LEU 17 -3.771 10.658 0.529 127 HA LEU 17 HA LEU 17 -5.955 11.827 2.075 128 HB2 LEU 17 2HB LEU 17 -3.953 9.734 2.860 129 HB3 LEU 17 1HB LEU 17 -5.157 10.392 3.951 130 HG LEU 17 HG LEU 17 -5.554 8.497 1.613 131 HD11 LEU 17 1HD1 LEU 17 -4.849 7.503 3.656 132 HD12 LEU 17 2HD1 LEU 17 -6.522 7.085 3.286 133 HD13 LEU 17 3HD1 LEU 17 -6.168 8.289 4.526 134 HD21 LEU 17 3HD2 LEU 17 -7.690 9.918 3.223 135 HD22 LEU 17 1HD2 LEU 17 -7.961 8.632 2.047 136 HD23 LEU 17 2HD2 LEU 17 -7.343 10.194 1.516 137 HA PRO 18 HA PRO 18 -3.164 14.906 3.670 138 HB2 PRO 18 2HB PRO 18 -4.144 15.156 6.218 139 HB3 PRO 18 1HB PRO 18 -4.946 15.866 4.802 140 HG2 PRO 18 2HG PRO 18 -5.577 13.337 6.227 141 HG3 PRO 18 1HG PRO 18 -6.676 14.576 5.589 142 HD2 PRO 18 2HD PRO 18 -6.260 12.296 4.268 143 HD3 PRO 18 1HD PRO 18 -6.484 13.837 3.416 144 H ASN 19 H ASN 19 -1.377 15.140 4.997 145 HA ASN 19 HA ASN 19 0.332 14.692 6.406 146 HB2 ASN 19 2HB ASN 19 -1.579 12.676 7.606 147 HB3 ASN 19 1HB ASN 19 0.032 12.956 8.247 148 HD21 ASN 19 1HD2 ASN 19 -0.794 13.670 10.225 149 HD22 ASN 19 2HD2 ASN 19 -1.569 15.210 10.377 150 H ALA 20 H ALA 20 0.154 13.463 3.855 151 HA ALA 20 HA ALA 20 1.471 12.186 2.526 152 HB1 ALA 20 1HB ALA 20 3.592 11.301 3.401 153 HB2 ALA 20 2HB ALA 20 3.047 11.605 5.049 154 HB3 ALA 20 3HB ALA 20 3.329 12.956 3.955 155 H MET 21 H MET 21 -0.875 11.173 3.786 156 HA MET 21 HA MET 21 -0.319 8.297 3.945 157 HB2 MET 21 2HB MET 21 -2.027 9.991 5.487 158 HB3 MET 21 1HB MET 21 -3.048 9.050 4.412 159 HG2 MET 21 2HG MET 21 -2.920 7.894 6.437 160 HG3 MET 21 1HG MET 21 -2.017 6.997 5.228 161 HE1 MET 21 3HE MET 21 -0.833 10.251 7.176 162 HE2 MET 21 1HE MET 21 -0.046 9.522 8.573 163 HE3 MET 21 2HE MET 21 -1.789 9.351 8.354 164 H PHE 22 H PHE 22 -1.690 6.992 2.595 165 HA PHE 22 HA PHE 22 -3.280 8.405 0.619 166 HB2 PHE 22 2HB PHE 22 -1.017 6.517 -0.080 167 HB3 PHE 22 1HB PHE 22 -2.324 6.885 -1.197 168 HD1 PHE 22 2HD PHE 22 0.657 8.185 0.475 169 HD2 PHE 22 1HD PHE 22 -2.482 9.058 -2.252 170 HE1 PHE 22 2HE PHE 22 1.872 10.191 -0.275 171 HE2 PHE 22 1HE PHE 22 -1.265 11.069 -3.005 172 HZ PHE 22 HZ PHE 22 0.904 11.632 -2.016 173 H LYS 23 H LYS 23 -4.906 7.168 -0.312 174 HA LYS 23 HA LYS 23 -5.489 4.757 1.212 175 HB2 LYS 23 2HB LYS 23 -7.313 6.347 1.335 176 HB3 LYS 23 1HB LYS 23 -7.248 6.579 -0.411 177 HG2 LYS 23 2HG LYS 23 -7.964 4.268 -0.749 178 HG3 LYS 23 1HG LYS 23 -8.061 4.047 0.995 179 HD2 LYS 23 2HD LYS 23 -9.919 5.428 1.188 180 HD3 LYS 23 1HD LYS 23 -9.592 6.244 -0.343 181 HE2 LYS 23 2HE LYS 23 -10.471 3.370 -0.042 182 HE3 LYS 23 1HE LYS 23 -11.509 4.715 -0.527 183 HZ1 LYS 23 3HZ LYS 23 -10.703 3.516 -2.496 184 HZ2 LYS 23 1HZ LYS 23 -9.140 3.684 -1.974 185 HZ3 LYS 23 2HZ LYS 23 -10.004 5.068 -2.441 186 H VAL 24 H VAL 24 -4.791 3.131 0.291 187 HA VAL 24 HA VAL 24 -4.785 3.012 -2.653 188 HB VAL 24 HB VAL 24 -2.796 1.608 -0.833 189 HG11 VAL 24 1HG1 VAL 24 -3.007 0.503 -2.907 190 HG12 VAL 24 2HG1 VAL 24 -1.434 1.290 -2.770 191 HG13 VAL 24 3HG1 VAL 24 -2.696 2.006 -3.770 192 HG21 VAL 24 3HG2 VAL 24 -1.127 3.310 -1.587 193 HG22 VAL 24 1HG2 VAL 24 -2.380 3.919 -0.500 194 HG23 VAL 24 2HG2 VAL 24 -2.492 4.249 -2.211 195 H GLU 25 H GLU 25 -5.464 1.073 -3.607 196 HA GLU 25 HA GLU 25 -6.535 -0.847 -1.713 197 HB2 GLU 25 2HB GLU 25 -7.533 -0.019 -4.409 198 HB3 GLU 25 1HB GLU 25 -7.808 -1.670 -3.883 199 HG2 GLU 25 2HG GLU 25 -9.750 -0.618 -3.260 200 HG3 GLU 25 1HG GLU 25 -8.813 -0.641 -1.785 201 H LEU 26 H LEU 26 -5.902 -2.764 -1.685 202 HA LEU 26 HA LEU 26 -3.496 -3.656 -3.001 203 HB2 LEU 26 2HB LEU 26 -5.508 -5.144 -1.335 204 HB3 LEU 26 1HB LEU 26 -4.058 -5.883 -1.968 205 HG LEU 26 HG LEU 26 -4.124 -3.580 -0.029 206 HD11 LEU 26 1HD1 LEU 26 -4.944 -5.669 0.952 207 HD12 LEU 26 2HD1 LEU 26 -3.354 -5.253 1.593 208 HD13 LEU 26 3HD1 LEU 26 -3.509 -6.512 0.370 209 HD21 LEU 26 3HD2 LEU 26 -1.865 -5.244 -1.140 210 HD22 LEU 26 1HD2 LEU 26 -1.716 -4.103 0.195 211 HD23 LEU 26 2HD2 LEU 26 -2.141 -3.523 -1.409 212 H GLU 27 H GLU 27 -3.461 -6.007 -3.921 213 HA GLU 27 HA GLU 27 -4.737 -6.083 -6.422 214 HB2 GLU 27 2HB GLU 27 -3.643 -8.498 -4.948 215 HB3 GLU 27 1HB GLU 27 -3.751 -8.260 -6.679 216 HG2 GLU 27 2HG GLU 27 -1.500 -7.984 -6.334 217 HG3 GLU 27 1HG GLU 27 -2.051 -6.318 -6.213 218 H ASN 28 H ASN 28 -5.504 -7.216 -3.320 219 HA ASN 28 HA ASN 28 -7.561 -9.125 -4.006 220 HB2 ASN 28 2HB ASN 28 -6.106 -9.027 -1.871 221 HB3 ASN 28 1HB ASN 28 -7.182 -7.760 -1.331 222 HD21 ASN 28 1HD2 ASN 28 -9.609 -9.187 -2.435 223 HD22 ASN 28 2HD2 ASN 28 -9.841 -10.522 -1.357 224 H GLY 29 H GLY 29 -7.465 -5.734 -4.098 225 HA2 GLY 29 2HA GLY 29 -9.185 -4.277 -4.583 226 HA3 GLY 29 1HA GLY 29 -10.334 -5.584 -4.326 227 H HIS 30 H HIS 30 -8.146 -5.229 -1.781 228 HA HIS 30 HA HIS 30 -10.275 -4.146 -0.102 229 HB2 HIS 30 2HB HIS 30 -8.708 -6.257 0.399 230 HB3 HIS 30 1HB HIS 30 -7.626 -4.945 0.887 231 HD1 HIS 30 1HD HIS 30 -11.161 -6.005 1.829 232 HD2 HIS 30 2HD HIS 30 -7.849 -4.063 3.398 233 HE1 HIS 30 1HE HIS 30 -11.745 -5.490 4.203 234 HE2 HIS 30 2HE HIS 30 -10.051 -3.733 4.605 235 H GLU 31 H GLU 31 -9.716 -2.447 1.379 236 HA GLU 31 HA GLU 31 -8.083 -0.463 0.122 237 HB2 GLU 31 2HB GLU 31 -9.359 1.045 1.458 238 HB3 GLU 31 1HB GLU 31 -10.485 -0.111 0.777 239 HG2 GLU 31 2HG GLU 31 -9.399 -0.162 3.577 240 HG3 GLU 31 1HG GLU 31 -11.013 0.450 3.158 241 H ILE 32 H ILE 32 -6.366 0.359 1.079 242 HA ILE 32 HA ILE 32 -5.703 -0.453 3.786 243 HB ILE 32 HB ILE 32 -3.300 -0.702 3.084 244 HG12 ILE 32 2HG1 ILE 32 -4.435 -0.890 0.331 245 HG13 ILE 32 1HG1 ILE 32 -3.660 0.579 0.968 246 HG21 ILE 32 1HG2 ILE 32 -5.247 -2.578 1.769 247 HG22 ILE 32 2HG2 ILE 32 -4.661 -2.673 3.430 248 HG23 ILE 32 3HG2 ILE 32 -3.551 -2.925 2.085 249 HD11 ILE 32 3HD1 ILE 32 -1.571 -0.680 1.247 250 HD12 ILE 32 1HD1 ILE 32 -2.116 -0.713 -0.431 251 HD13 ILE 32 2HD1 ILE 32 -2.360 -2.120 0.605 252 H LEU 33 H LEU 33 -4.627 1.067 4.878 253 HA LEU 33 HA LEU 33 -4.450 3.700 3.548 254 HB2 LEU 33 2HB LEU 33 -4.404 3.000 6.486 255 HB3 LEU 33 1HB LEU 33 -4.420 4.616 5.807 256 HG LEU 33 HG LEU 33 -6.640 2.614 5.504 257 HD11 LEU 33 1HD1 LEU 33 -7.868 4.041 7.101 258 HD12 LEU 33 2HD1 LEU 33 -6.422 5.029 7.314 259 HD13 LEU 33 3HD1 LEU 33 -6.422 3.343 7.832 260 HD21 LEU 33 3HD2 LEU 33 -7.947 4.546 4.716 261 HD22 LEU 33 1HD2 LEU 33 -6.567 4.200 3.673 262 HD23 LEU 33 2HD2 LEU 33 -6.498 5.544 4.815 263 H ALA 34 H ALA 34 -2.554 4.330 3.029 264 HA ALA 34 HA ALA 34 -0.303 2.928 4.265 265 HB1 ALA 34 1HB ALA 34 -0.575 3.779 1.406 266 HB2 ALA 34 2HB ALA 34 -0.800 2.142 2.023 267 HB3 ALA 34 3HB ALA 34 0.781 2.917 2.134 268 H HIS 35 H HIS 35 1.690 4.026 4.184 269 HA HIS 35 HA HIS 35 1.435 6.965 4.108 270 HB2 HIS 35 2HB HIS 35 1.648 5.994 6.457 271 HB3 HIS 35 1HB HIS 35 3.202 5.340 5.944 272 HD1 HIS 35 1HD HIS 35 1.574 8.798 6.202 273 HD2 HIS 35 2HD HIS 35 5.285 6.954 6.512 274 HE1 HIS 35 1HE HIS 35 3.145 10.581 6.971 275 HE2 HIS 35 2HE HIS 35 5.411 9.504 6.827 276 H VAL 36 H VAL 36 3.072 7.973 2.981 277 HA VAL 36 HA VAL 36 4.843 6.225 1.550 278 HB VAL 36 HB VAL 36 5.683 8.291 0.414 279 HG11 VAL 36 1HG1 VAL 36 3.952 6.967 -0.596 280 HG12 VAL 36 2HG1 VAL 36 3.630 8.677 -0.885 281 HG13 VAL 36 3HG1 VAL 36 2.722 7.802 0.349 282 HG21 VAL 36 3HG2 VAL 36 4.421 10.382 0.678 283 HG22 VAL 36 1HG2 VAL 36 5.221 9.916 2.180 284 HG23 VAL 36 2HG2 VAL 36 3.487 9.646 1.980 285 H SER 37 H SER 37 7.044 6.287 1.541 286 HA SER 37 HA SER 37 8.256 6.354 4.072 287 HB2 SER 37 2HB SER 37 10.312 5.931 2.903 288 HB3 SER 37 1HB SER 37 9.019 5.057 2.074 289 HG SER 37 HG SER 37 8.921 7.249 0.903 290 H GLY 38 H GLY 38 10.062 7.705 4.748 291 HA2 GLY 38 2HA GLY 38 9.569 10.402 4.829 292 HA3 GLY 38 1HA GLY 38 11.106 9.650 5.207 293 H LYS 39 H LYS 39 11.146 8.670 2.212 294 HA LYS 39 HA LYS 39 12.630 10.995 1.427 295 HB2 LYS 39 2HB LYS 39 13.278 9.738 -0.611 296 HB3 LYS 39 1HB LYS 39 13.626 8.859 0.862 297 HG2 LYS 39 2HG LYS 39 11.603 7.498 0.485 298 HG3 LYS 39 1HG LYS 39 11.342 8.363 -1.031 299 HD2 LYS 39 2HD LYS 39 13.464 7.563 -1.893 300 HD3 LYS 39 1HD LYS 39 13.822 6.777 -0.356 301 HE2 LYS 39 2HE LYS 39 13.042 5.138 -1.967 302 HE3 LYS 39 1HE LYS 39 11.865 5.317 -0.670 303 HZ1 LYS 39 3HZ LYS 39 10.773 5.215 -2.780 304 HZ2 LYS 39 1HZ LYS 39 11.681 6.513 -3.383 305 HZ3 LYS 39 2HZ LYS 39 10.565 6.760 -2.132 306 H ILE 40 H ILE 40 9.504 9.772 0.851 307 HA ILE 40 HA ILE 40 9.046 11.521 -1.434 308 HB ILE 40 HB ILE 40 7.165 9.629 0.038 309 HG12 ILE 40 2HG1 ILE 40 8.586 9.277 -2.615 310 HG13 ILE 40 1HG1 ILE 40 9.039 8.493 -1.109 311 HG21 ILE 40 1HG2 ILE 40 5.884 11.369 -1.068 312 HG22 ILE 40 2HG2 ILE 40 5.696 9.864 -1.974 313 HG23 ILE 40 3HG2 ILE 40 6.777 11.126 -2.564 314 HD11 ILE 40 3HD1 ILE 40 6.914 7.285 -1.105 315 HD12 ILE 40 1HD1 ILE 40 7.829 6.985 -2.582 316 HD13 ILE 40 2HD1 ILE 40 6.454 8.090 -2.607 317 H ARG 41 H ARG 41 8.872 11.505 1.912 318 HA ARG 41 HA ARG 41 6.844 13.542 2.211 319 HB2 ARG 41 2HB ARG 41 7.613 11.665 3.883 320 HB3 ARG 41 1HB ARG 41 8.895 12.778 4.286 321 HG2 ARG 41 2HG ARG 41 5.964 13.464 4.569 322 HG3 ARG 41 1HG ARG 41 6.890 12.695 5.840 323 HD2 ARG 41 2HD ARG 41 6.946 14.912 6.481 324 HD3 ARG 41 1HD ARG 41 8.445 14.781 5.584 325 HE ARG 41 HE ARG 41 7.291 15.843 3.709 326 HH11 ARG 41 1HH1 ARG 41 5.856 16.226 6.946 327 HH12 ARG 41 2HH1 ARG 41 5.150 17.738 6.638 328 HH21 ARG 41 1HH2 ARG 41 6.310 18.021 3.284 329 HH22 ARG 41 2HH2 ARG 41 5.421 18.775 4.490 330 H MET 42 H MET 42 10.404 13.253 2.250 331 HA MET 42 HA MET 42 10.835 16.074 2.556 332 HB2 MET 42 2HB MET 42 12.715 13.854 1.733 333 HB3 MET 42 1HB MET 42 13.208 15.520 2.000 334 HG2 MET 42 2HG MET 42 12.531 15.372 4.325 335 HG3 MET 42 1HG MET 42 11.960 13.726 4.067 336 HE1 MET 42 3HE MET 42 15.150 13.258 6.314 337 HE2 MET 42 1HE MET 42 13.423 12.934 6.156 338 HE3 MET 42 2HE MET 42 13.992 14.587 6.383 339 H ASN 43 H ASN 43 11.036 13.790 -0.192 340 HA ASN 43 HA ASN 43 11.045 16.109 -1.978 341 HB2 ASN 43 2HB ASN 43 12.027 13.289 -2.502 342 HB3 ASN 43 1HB ASN 43 11.836 14.545 -3.720 343 HD21 ASN 43 1HD2 ASN 43 14.033 14.464 -4.256 344 HD22 ASN 43 2HD2 ASN 43 15.245 15.123 -3.203 345 H TYR 44 H TYR 44 9.260 16.452 -2.897 346 HA TYR 44 HA TYR 44 7.116 14.642 -2.488 347 HB2 TYR 44 2HB TYR 44 7.195 17.293 -3.846 348 HB3 TYR 44 1HB TYR 44 5.711 16.444 -3.351 349 HD1 TYR 44 1HD TYR 44 5.727 15.695 -0.817 350 HD2 TYR 44 2HD TYR 44 8.069 18.872 -2.396 351 HE1 TYR 44 1HE TYR 44 6.038 16.582 1.438 352 HE2 TYR 44 2HE TYR 44 8.382 19.771 -0.132 353 HH TYR 44 HH TYR 44 8.091 18.093 2.426 354 H ILE 45 H ILE 45 7.471 12.817 -3.743 355 HA ILE 45 HA ILE 45 7.614 13.044 -6.512 356 HB ILE 45 HB ILE 45 7.535 10.959 -4.366 357 HG12 ILE 45 2HG1 ILE 45 9.711 11.934 -4.737 358 HG13 ILE 45 1HG1 ILE 45 9.717 10.261 -5.271 359 HG21 ILE 45 1HG2 ILE 45 7.314 10.392 -7.251 360 HG22 ILE 45 2HG2 ILE 45 6.151 10.251 -5.905 361 HG23 ILE 45 3HG2 ILE 45 7.593 9.201 -5.924 362 HD11 ILE 45 3HD1 ILE 45 9.502 11.044 -7.605 363 HD12 ILE 45 1HD1 ILE 45 10.957 11.644 -6.808 364 HD13 ILE 45 2HD1 ILE 45 9.577 12.710 -7.027 365 H ARG 46 H ARG 46 5.816 13.423 -7.554 366 HA ARG 46 HA ARG 46 3.321 13.676 -6.253 367 HB2 ARG 46 2HB ARG 46 3.945 13.754 -9.203 368 HB3 ARG 46 1HB ARG 46 2.421 14.239 -8.479 369 HG2 ARG 46 2HG ARG 46 3.564 16.030 -7.261 370 HG3 ARG 46 1HG ARG 46 5.099 15.533 -7.973 371 HD2 ARG 46 2HD ARG 46 4.201 16.006 -10.211 372 HD3 ARG 46 1HD ARG 46 2.680 16.523 -9.487 373 HE ARG 46 HE ARG 46 4.763 17.974 -8.339 374 HH11 ARG 46 1HH1 ARG 46 3.116 17.708 -11.462 375 HH12 ARG 46 2HH1 ARG 46 3.408 19.304 -11.964 376 HH21 ARG 46 1HH2 ARG 46 5.197 20.228 -9.008 377 HH22 ARG 46 2HH2 ARG 46 4.641 20.790 -10.507 378 H ILE 47 H ILE 47 2.508 11.858 -5.471 379 HA ILE 47 HA ILE 47 2.096 9.516 -7.112 380 HB ILE 47 HB ILE 47 1.026 10.198 -4.348 381 HG12 ILE 47 2HG1 ILE 47 3.484 10.007 -4.337 382 HG13 ILE 47 1HG1 ILE 47 2.743 8.680 -3.454 383 HG21 ILE 47 1HG2 ILE 47 1.035 7.544 -5.781 384 HG22 ILE 47 2HG2 ILE 47 -0.361 8.571 -5.513 385 HG23 ILE 47 3HG2 ILE 47 0.458 7.827 -4.133 386 HD11 ILE 47 3HD1 ILE 47 3.125 7.208 -5.378 387 HD12 ILE 47 1HD1 ILE 47 4.625 7.919 -4.784 388 HD13 ILE 47 2HD1 ILE 47 3.872 8.548 -6.249 389 H LEU 48 H LEU 48 0.196 9.056 -8.155 390 HA LEU 48 HA LEU 48 -1.895 11.088 -7.962 391 HB2 LEU 48 2HB LEU 48 -0.488 11.357 -9.971 392 HB3 LEU 48 1HB LEU 48 -0.834 9.702 -10.423 393 HG LEU 48 HG LEU 48 -3.254 10.365 -10.498 394 HD11 LEU 48 1HD1 LEU 48 -2.083 13.144 -10.504 395 HD12 LEU 48 2HD1 LEU 48 -3.091 12.459 -9.238 396 HD13 LEU 48 3HD1 LEU 48 -3.765 12.739 -10.845 397 HD21 LEU 48 3HD2 LEU 48 -3.054 11.337 -12.756 398 HD22 LEU 48 1HD2 LEU 48 -1.961 9.976 -12.512 399 HD23 LEU 48 2HD2 LEU 48 -1.341 11.626 -12.460 400 HA PRO 49 HA PRO 49 -4.640 7.518 -7.247 401 HB2 PRO 49 2HB PRO 49 -6.352 9.460 -8.770 402 HB3 PRO 49 1HB PRO 49 -6.778 8.472 -7.351 403 HG2 PRO 49 2HG PRO 49 -6.271 10.982 -6.997 404 HG3 PRO 49 1HG PRO 49 -5.574 9.784 -5.880 405 HD2 PRO 49 2HD PRO 49 -4.249 11.321 -8.071 406 HD3 PRO 49 1HD PRO 49 -3.589 10.806 -6.504 407 H GLY 50 H GLY 50 -4.843 5.816 -8.490 408 HA2 GLY 50 2HA GLY 50 -5.582 4.718 -10.479 409 HA3 GLY 50 1HA GLY 50 -5.015 6.107 -11.403 410 H ASP 51 H ASP 51 -2.583 6.019 -9.438 411 HA ASP 51 HA ASP 51 -1.070 4.333 -11.243 412 HB2 ASP 51 2HB ASP 51 -0.343 6.722 -10.188 413 HB3 ASP 51 1HB ASP 51 0.323 5.607 -8.984 414 H LYS 52 H LYS 52 0.560 2.961 -10.361 415 HA LYS 52 HA LYS 52 -0.566 1.336 -8.193 416 HB2 LYS 52 2HB LYS 52 1.192 0.593 -10.514 417 HB3 LYS 52 1HB LYS 52 0.955 -0.449 -9.127 418 HG2 LYS 52 2HG LYS 52 -1.427 -0.560 -9.620 419 HG3 LYS 52 1HG LYS 52 -1.185 0.495 -11.009 420 HD2 LYS 52 2HD LYS 52 -1.326 -1.930 -11.612 421 HD3 LYS 52 1HD LYS 52 0.173 -1.165 -12.120 422 HE2 LYS 52 2HE LYS 52 0.052 -2.634 -9.495 423 HE3 LYS 52 1HE LYS 52 0.222 -3.538 -10.994 424 HZ1 LYS 52 3HZ LYS 52 2.353 -2.906 -9.774 425 HZ2 LYS 52 1HZ LYS 52 2.105 -1.336 -10.262 426 HZ3 LYS 52 2HZ LYS 52 2.304 -2.527 -11.424 427 H VAL 53 H VAL 53 0.721 0.709 -6.545 428 HA VAL 53 HA VAL 53 3.427 1.711 -6.486 429 HB VAL 53 HB VAL 53 3.100 2.504 -4.128 430 HG11 VAL 53 1HG1 VAL 53 2.175 4.707 -4.784 431 HG12 VAL 53 2HG1 VAL 53 1.581 3.988 -6.285 432 HG13 VAL 53 3HG1 VAL 53 3.313 4.080 -5.982 433 HG21 VAL 53 3HG2 VAL 53 0.180 2.338 -4.897 434 HG22 VAL 53 1HG2 VAL 53 0.794 3.160 -3.461 435 HG23 VAL 53 2HG2 VAL 53 0.988 1.415 -3.631 436 H THR 54 H THR 54 4.743 0.755 -4.889 437 HA THR 54 HA THR 54 3.928 -1.948 -4.245 438 HB THR 54 HB THR 54 6.637 -0.627 -4.003 439 HG1 THR 54 1HG THR 54 5.420 -2.063 -6.147 440 HG21 THR 54 3HG2 THR 54 6.372 -2.752 -2.776 441 HG22 THR 54 1HG2 THR 54 7.470 -2.947 -4.142 442 HG23 THR 54 2HG2 THR 54 5.812 -3.534 -4.253 443 H VAL 55 H VAL 55 3.284 -2.360 -2.258 444 HA VAL 55 HA VAL 55 3.881 -0.410 -0.162 445 HB VAL 55 HB VAL 55 1.477 -0.554 -0.761 446 HG11 VAL 55 1HG1 VAL 55 1.570 -3.390 0.261 447 HG12 VAL 55 2HG1 VAL 55 1.257 -2.894 -1.397 448 HG13 VAL 55 3HG1 VAL 55 0.111 -2.495 -0.120 449 HG21 VAL 55 3HG2 VAL 55 2.113 -1.527 2.008 450 HG22 VAL 55 1HG2 VAL 55 0.593 -0.785 1.512 451 HG23 VAL 55 2HG2 VAL 55 2.089 0.150 1.466 452 H GLU 56 H GLU 56 5.015 -0.993 1.478 453 HA GLU 56 HA GLU 56 5.613 -3.807 1.977 454 HB2 GLU 56 2HB GLU 56 6.742 -1.228 3.072 455 HB3 GLU 56 1HB GLU 56 7.186 -2.810 3.686 456 HG2 GLU 56 2HG GLU 56 8.137 -3.411 1.576 457 HG3 GLU 56 1HG GLU 56 7.581 -1.898 0.851 458 H MET 57 H MET 57 4.597 -4.836 3.534 459 HA MET 57 HA MET 57 3.451 -3.371 5.753 460 HB2 MET 57 2HB MET 57 1.309 -4.717 5.455 461 HB3 MET 57 1HB MET 57 1.551 -3.327 4.396 462 HG2 MET 57 2HG MET 57 2.154 -4.847 2.611 463 HG3 MET 57 1HG MET 57 2.054 -6.215 3.722 464 HE1 MET 57 3HE MET 57 0.044 -3.339 1.957 465 HE2 MET 57 1HE MET 57 -0.397 -3.112 3.648 466 HE3 MET 57 2HE MET 57 -1.601 -3.678 2.494 467 H SER 58 H SER 58 2.901 -4.683 7.502 468 HA SER 58 HA SER 58 4.528 -7.071 7.661 469 HB2 SER 58 2HB SER 58 2.831 -5.845 9.816 470 HB3 SER 58 1HB SER 58 4.322 -6.778 9.998 471 HG SER 58 HG SER 58 3.890 -4.178 9.688 472 HA PRO 59 HA PRO 59 0.902 -9.788 7.235 473 HB2 PRO 59 2HB PRO 59 2.036 -11.369 9.482 474 HB3 PRO 59 1HB PRO 59 1.652 -11.897 7.831 475 HG2 PRO 59 2HG PRO 59 4.162 -11.613 8.580 476 HG3 PRO 59 1HG PRO 59 3.625 -11.136 6.957 477 HD2 PRO 59 2HD PRO 59 4.235 -9.405 9.306 478 HD3 PRO 59 1HD PRO 59 4.595 -9.159 7.585 479 H TYR 60 H TYR 60 1.865 -8.311 10.155 480 HA TYR 60 HA TYR 60 -0.524 -8.946 11.672 481 HB2 TYR 60 2HB TYR 60 1.599 -8.726 12.861 482 HB3 TYR 60 1HB TYR 60 1.833 -7.114 12.212 483 HD1 TYR 60 1HD TYR 60 -0.342 -9.111 14.479 484 HD2 TYR 60 2HD TYR 60 1.028 -5.235 13.375 485 HE1 TYR 60 1HE TYR 60 -1.432 -8.157 16.472 486 HE2 TYR 60 2HE TYR 60 -0.057 -4.277 15.358 487 HH TYR 60 HH TYR 60 -1.880 -4.823 16.869 488 H ASP 61 H ASP 61 0.457 -6.669 9.336 489 HA ASP 61 HA ASP 61 -1.520 -4.699 10.192 490 HB2 ASP 61 2HB ASP 61 0.714 -4.535 8.152 491 HB3 ASP 61 1HB ASP 61 -0.538 -3.312 8.273 492 H LEU 62 H LEU 62 -0.458 -5.179 6.976 493 HA LEU 62 HA LEU 62 -1.291 -5.624 5.029 494 HB2 LEU 62 2HB LEU 62 -1.716 -7.883 5.998 495 HB3 LEU 62 1HB LEU 62 -3.342 -7.381 6.399 496 HG LEU 62 HG LEU 62 -2.465 -7.268 3.523 497 HD11 LEU 62 1HD1 LEU 62 -1.794 -9.503 4.323 498 HD12 LEU 62 2HD1 LEU 62 -3.196 -9.615 3.260 499 HD13 LEU 62 3HD1 LEU 62 -3.401 -9.746 5.006 500 HD21 LEU 62 3HD2 LEU 62 -5.094 -7.944 4.877 501 HD22 LEU 62 1HD2 LEU 62 -4.830 -7.814 3.137 502 HD23 LEU 62 2HD2 LEU 62 -4.675 -6.387 4.162 503 H THR 63 H THR 63 -3.386 -4.415 7.306 504 HA THR 63 HA THR 63 -5.053 -3.137 5.261 505 HB THR 63 HB THR 63 -6.219 -4.070 7.250 506 HG1 THR 63 1HG THR 63 -6.872 -1.938 6.175 507 HG21 THR 63 3HG2 THR 63 -5.973 -3.008 9.465 508 HG22 THR 63 1HG2 THR 63 -4.667 -2.007 8.828 509 HG23 THR 63 2HG2 THR 63 -4.468 -3.756 8.931 510 H ARG 64 H ARG 64 -2.214 -2.698 6.852 511 HA ARG 64 HA ARG 64 -2.191 0.194 6.487 512 HB2 ARG 64 2HB ARG 64 -2.393 -0.423 8.905 513 HB3 ARG 64 1HB ARG 64 -0.952 -1.404 8.758 514 HG2 ARG 64 2HG ARG 64 -0.448 0.694 9.836 515 HG3 ARG 64 1HG ARG 64 0.353 0.616 8.265 516 HD2 ARG 64 2HD ARG 64 -1.353 1.999 7.280 517 HD3 ARG 64 1HD ARG 64 -2.272 1.996 8.783 518 HE ARG 64 HE ARG 64 -0.042 3.010 9.633 519 HH11 ARG 64 1HH1 ARG 64 -1.606 3.688 6.552 520 HH12 ARG 64 2HH1 ARG 64 -1.274 5.362 6.530 521 HH21 ARG 64 1HH2 ARG 64 0.447 5.377 9.651 522 HH22 ARG 64 2HH2 ARG 64 -0.091 6.339 8.343 523 H GLY 65 H GLY 65 -0.232 0.863 5.502 524 HA2 GLY 65 2HA GLY 65 1.969 -0.965 5.380 525 HA3 GLY 65 1HA GLY 65 1.122 -0.782 3.853 526 H ARG 66 H ARG 66 3.537 -0.072 3.585 527 HA ARG 66 HA ARG 66 3.591 2.872 3.763 528 HB2 ARG 66 2HB ARG 66 5.055 1.601 5.418 529 HB3 ARG 66 1HB ARG 66 5.973 1.066 4.018 530 HG2 ARG 66 2HG ARG 66 5.958 3.715 3.574 531 HG3 ARG 66 1HG ARG 66 5.891 3.704 5.335 532 HD2 ARG 66 2HD ARG 66 7.901 2.487 3.523 533 HD3 ARG 66 1HD ARG 66 8.135 3.744 4.752 534 HE ARG 66 HE ARG 66 7.574 1.912 6.406 535 HH11 ARG 66 1HH1 ARG 66 9.248 1.236 3.327 536 HH12 ARG 66 2HH1 ARG 66 9.727 -0.301 3.771 537 HH21 ARG 66 1HH2 ARG 66 8.429 -0.308 7.030 538 HH22 ARG 66 2HH2 ARG 66 9.335 -1.131 5.830 539 H ILE 67 H ILE 67 4.245 3.820 1.859 540 HA ILE 67 HA ILE 67 4.914 2.046 -0.361 541 HB ILE 67 HB ILE 67 3.673 4.778 -0.280 542 HG12 ILE 67 2HG1 ILE 67 2.187 3.809 -1.977 543 HG13 ILE 67 1HG1 ILE 67 3.131 2.328 -1.949 544 HG21 ILE 67 1HG2 ILE 67 4.063 5.146 -2.684 545 HG22 ILE 67 2HG2 ILE 67 5.120 3.732 -2.715 546 HG23 ILE 67 3HG2 ILE 67 5.568 5.144 -1.760 547 HD11 ILE 67 3HD1 ILE 67 1.126 2.046 -0.687 548 HD12 ILE 67 1HD1 ILE 67 1.507 3.484 0.271 549 HD13 ILE 67 2HD1 ILE 67 2.526 2.059 0.400 550 H THR 68 H THR 68 6.862 1.809 -0.995 551 HA THR 68 HA THR 68 8.745 4.003 -0.528 552 HB THR 68 HB THR 68 10.448 2.092 -0.765 553 HG1 THR 68 1HG THR 68 9.234 0.109 0.152 554 HG21 THR 68 3HG2 THR 68 8.551 2.275 1.552 555 HG22 THR 68 1HG2 THR 68 9.988 3.272 1.324 556 HG23 THR 68 2HG2 THR 68 10.157 1.537 1.635 557 H TYR 69 H TYR 69 7.264 2.012 -2.934 558 HA TYR 69 HA TYR 69 8.951 3.193 -5.004 559 HB2 TYR 69 2HB TYR 69 9.835 0.924 -4.279 560 HB3 TYR 69 1HB TYR 69 8.276 0.284 -4.791 561 HD1 TYR 69 2HD TYR 69 11.093 2.322 -6.181 562 HD2 TYR 69 1HD TYR 69 8.128 -0.638 -6.913 563 HE1 TYR 69 2HE TYR 69 11.956 2.029 -8.464 564 HE2 TYR 69 1HE TYR 69 8.987 -0.938 -9.198 565 HH TYR 69 HH TYR 69 11.962 0.323 -10.224 566 H ARG 70 H ARG 70 7.901 2.900 -7.159 567 HA ARG 70 HA ARG 70 5.126 2.192 -6.980 568 HB2 ARG 70 2HB ARG 70 4.537 3.997 -8.525 569 HB3 ARG 70 1HB ARG 70 5.035 4.584 -6.936 570 HG2 ARG 70 2HG ARG 70 7.331 4.970 -8.017 571 HG3 ARG 70 1HG ARG 70 6.512 4.736 -9.559 572 HD2 ARG 70 2HD ARG 70 5.825 6.821 -7.487 573 HD3 ARG 70 1HD ARG 70 6.730 7.108 -8.964 574 HE ARG 70 HE ARG 70 4.283 6.020 -9.706 575 HH11 ARG 70 1HH1 ARG 70 5.426 8.903 -8.027 576 HH12 ARG 70 2HH1 ARG 70 4.156 9.913 -8.579 577 HH21 ARG 70 1HH2 ARG 70 2.540 7.452 -10.513 578 HH22 ARG 70 2HH2 ARG 70 2.515 9.078 -10.023 579 H TYR 71 H TYR 71 4.970 0.488 -8.110 580 HA TYR 71 HA TYR 71 6.598 0.178 -10.509 581 HB2 TYR 71 2HB TYR 71 6.907 -1.449 -8.737 582 HB3 TYR 71 1HB TYR 71 5.187 -1.799 -8.756 583 HD1 TYR 71 2HD TYR 71 8.238 -1.969 -10.907 584 HD2 TYR 71 1HD TYR 71 4.329 -3.486 -10.187 585 HE1 TYR 71 2HE TYR 71 8.585 -3.679 -12.636 586 HE2 TYR 71 1HE TYR 71 4.667 -5.195 -11.915 587 HH TYR 71 HH TYR 71 6.062 -5.453 -13.924 588 H LYS 72 H LYS 72 5.579 -0.426 -12.438 589 HA LYS 72 HA LYS 72 2.682 -0.164 -12.403 590 HB2 LYS 72 2HB LYS 72 4.653 0.510 -14.598 591 HB3 LYS 72 1HB LYS 72 2.906 0.531 -14.795 592 HG2 LYS 72 2HG LYS 72 2.733 2.265 -13.081 593 HG3 LYS 72 1HG LYS 72 4.485 2.246 -12.890 594 HD2 LYS 72 2HD LYS 72 4.756 2.964 -15.203 595 HD3 LYS 72 1HD LYS 72 3.004 2.933 -15.428 596 HE2 LYS 72 2HE LYS 72 4.494 4.684 -13.472 597 HE3 LYS 72 1HE LYS 72 3.830 5.209 -15.020 598 HZ1 LYS 72 3HZ LYS 72 1.584 4.609 -14.155 599 HZ2 LYS 72 1HZ LYS 72 2.316 5.744 -13.149 600 HZ3 LYS 72 2HZ LYS 72 2.281 4.205 -12.675 Start of MODEL 12 1 H1 MET 1 1HT MET 1 6.176 -9.899 -2.216 2 H2 MET 1 2HT MET 1 6.791 -9.147 -0.817 3 H3 MET 1 3HT MET 1 5.324 -10.001 -0.749 4 HA MET 1 HA MET 1 7.254 -11.100 0.220 5 HB2 MET 1 2HB MET 1 6.051 -12.486 -2.190 6 HB3 MET 1 1HB MET 1 7.032 -13.295 -0.987 7 HG2 MET 1 2HG MET 1 4.721 -13.766 -0.584 8 HG3 MET 1 1HG MET 1 5.329 -12.742 0.713 9 HE1 MET 1 2HE MET 1 2.701 -12.428 1.338 10 HE2 MET 1 3HE MET 1 2.229 -13.362 -0.083 11 HE3 MET 1 1HE MET 1 1.517 -11.776 0.205 12 H ALA 2 H ALA 2 8.992 -9.637 -0.390 13 HA ALA 2 HA ALA 2 10.714 -10.900 -2.429 14 HB1 ALA 2 1HB ALA 2 10.943 -8.216 -1.035 15 HB2 ALA 2 2HB ALA 2 10.418 -8.470 -2.699 16 HB3 ALA 2 3HB ALA 2 12.080 -8.834 -2.233 17 H LYS 3 H LYS 3 9.903 -10.796 0.715 18 HA LYS 3 HA LYS 3 11.978 -12.347 1.707 19 HB2 LYS 3 2HB LYS 3 12.531 -10.654 3.540 20 HB3 LYS 3 1HB LYS 3 13.186 -10.264 1.956 21 HG2 LYS 3 2HG LYS 3 11.288 -8.726 1.594 22 HG3 LYS 3 1HG LYS 3 10.735 -9.074 3.229 23 HD2 LYS 3 2HD LYS 3 12.864 -8.214 4.110 24 HD3 LYS 3 1HD LYS 3 13.375 -7.824 2.465 25 HE2 LYS 3 2HE LYS 3 12.443 -5.881 3.716 26 HE3 LYS 3 1HE LYS 3 11.580 -6.249 2.222 27 HZ1 LYS 3 3HZ LYS 3 10.137 -5.794 4.172 28 HZ2 LYS 3 1HZ LYS 3 10.753 -7.211 4.884 29 HZ3 LYS 3 2HZ LYS 3 9.859 -7.265 3.399 30 H GLN 4 H GLN 4 11.291 -12.448 4.286 31 HA GLN 4 HA GLN 4 8.347 -12.668 4.143 32 HB2 GLN 4 2HB GLN 4 10.297 -14.616 5.353 33 HB3 GLN 4 1HB GLN 4 8.563 -14.690 5.614 34 HG2 GLN 4 2HG GLN 4 9.915 -14.879 2.926 35 HG3 GLN 4 1HG GLN 4 9.353 -16.251 3.878 36 HE21 GLN 4 1HE2 GLN 4 7.139 -16.586 4.103 37 HE22 GLN 4 2HE2 GLN 4 5.996 -15.849 3.032 38 H ASP 5 H ASP 5 10.692 -11.040 5.703 39 HA ASP 5 HA ASP 5 9.823 -11.158 8.409 40 HB2 ASP 5 2HB ASP 5 11.132 -8.949 8.527 41 HB3 ASP 5 1HB ASP 5 12.041 -10.397 8.084 42 H VAL 6 H VAL 6 9.240 -9.093 5.799 43 HA VAL 6 HA VAL 6 6.779 -8.081 7.022 44 HB VAL 6 HB VAL 6 8.731 -6.323 5.456 45 HG11 VAL 6 1HG1 VAL 6 7.331 -4.466 6.198 46 HG12 VAL 6 2HG1 VAL 6 6.233 -5.614 6.967 47 HG13 VAL 6 3HG1 VAL 6 6.435 -5.625 5.216 48 HG21 VAL 6 3HG2 VAL 6 9.701 -6.812 7.638 49 HG22 VAL 6 1HG2 VAL 6 8.212 -6.302 8.433 50 HG23 VAL 6 2HG2 VAL 6 9.190 -5.127 7.553 51 H ILE 7 H ILE 7 5.188 -7.526 5.309 52 HA ILE 7 HA ILE 7 5.760 -9.142 2.939 53 HB ILE 7 HB ILE 7 3.137 -8.468 4.285 54 HG12 ILE 7 2HG1 ILE 7 4.391 -10.174 5.485 55 HG13 ILE 7 1HG1 ILE 7 2.982 -10.892 4.717 56 HG21 ILE 7 1HG2 ILE 7 2.046 -9.929 2.656 57 HG22 ILE 7 2HG2 ILE 7 3.578 -10.110 1.803 58 HG23 ILE 7 3HG2 ILE 7 2.802 -8.531 1.890 59 HD11 ILE 7 3HD1 ILE 7 4.900 -12.355 4.522 60 HD12 ILE 7 1HD1 ILE 7 5.834 -11.078 3.744 61 HD13 ILE 7 2HD1 ILE 7 4.431 -11.766 2.929 62 H GLU 8 H GLU 8 5.986 -8.111 1.092 63 HA GLU 8 HA GLU 8 4.911 -5.419 0.770 64 HB2 GLU 8 2HB GLU 8 6.623 -6.920 -1.213 65 HB3 GLU 8 1HB GLU 8 6.376 -5.192 -1.095 66 HG2 GLU 8 2HG GLU 8 8.569 -5.540 -0.329 67 HG3 GLU 8 1HG GLU 8 7.588 -5.351 1.131 68 H LEU 9 H LEU 9 3.105 -5.167 -0.304 69 HA LEU 9 HA LEU 9 2.211 -7.141 -2.320 70 HB2 LEU 9 2HB LEU 9 0.472 -5.536 -0.424 71 HB3 LEU 9 1HB LEU 9 -0.121 -6.545 -1.721 72 HG LEU 9 HG LEU 9 1.229 -7.467 0.823 73 HD11 LEU 9 1HD1 LEU 9 -1.562 -7.831 -0.234 74 HD12 LEU 9 2HD1 LEU 9 -1.070 -6.791 1.104 75 HD13 LEU 9 3HD1 LEU 9 -0.912 -8.541 1.245 76 HD21 LEU 9 3HD2 LEU 9 1.938 -8.894 -1.037 77 HD22 LEU 9 1HD2 LEU 9 0.255 -9.087 -1.537 78 HD23 LEU 9 2HD2 LEU 9 0.794 -9.742 0.005 79 H GLU 10 H GLU 10 0.788 -6.105 -3.983 80 HA GLU 10 HA GLU 10 1.669 -3.332 -4.349 81 HB2 GLU 10 2HB GLU 10 0.775 -5.289 -6.468 82 HB3 GLU 10 1HB GLU 10 1.256 -3.627 -6.746 83 HG2 GLU 10 2HG GLU 10 3.519 -4.257 -5.818 84 HG3 GLU 10 1HG GLU 10 2.979 -5.937 -5.900 85 H GLY 11 H GLY 11 0.184 -1.794 -5.028 86 HA2 GLY 11 2HA GLY 11 -2.607 -2.584 -5.236 87 HA3 GLY 11 1HA GLY 11 -2.210 -1.525 -3.894 88 H THR 12 H THR 12 -3.955 -0.550 -5.483 89 HA THR 12 HA THR 12 -2.532 1.390 -7.199 90 HB THR 12 HB THR 12 -5.347 0.397 -7.542 91 HG1 THR 12 1HG THR 12 -3.021 -0.794 -8.082 92 HG21 THR 12 3HG2 THR 12 -4.841 2.606 -8.518 93 HG22 THR 12 1HG2 THR 12 -5.133 1.419 -9.793 94 HG23 THR 12 2HG2 THR 12 -3.485 1.911 -9.397 95 H VAL 13 H VAL 13 -2.880 3.432 -6.598 96 HA VAL 13 HA VAL 13 -4.640 3.829 -4.332 97 HB VAL 13 HB VAL 13 -2.425 4.670 -3.991 98 HG11 VAL 13 1HG1 VAL 13 -1.511 6.431 -5.328 99 HG12 VAL 13 2HG1 VAL 13 -2.840 6.210 -6.498 100 HG13 VAL 13 3HG1 VAL 13 -1.704 4.885 -6.147 101 HG21 VAL 13 3HG2 VAL 13 -2.838 7.058 -3.500 102 HG22 VAL 13 1HG2 VAL 13 -4.171 6.025 -2.968 103 HG23 VAL 13 2HG2 VAL 13 -4.334 6.963 -4.440 104 H LEU 14 H LEU 14 -6.426 4.906 -4.268 105 HA LEU 14 HA LEU 14 -7.296 6.080 -6.794 106 HB2 LEU 14 2HB LEU 14 -8.949 5.037 -4.505 107 HB3 LEU 14 1HB LEU 14 -9.596 5.785 -5.948 108 HG LEU 14 HG LEU 14 -8.086 3.170 -5.821 109 HD11 LEU 14 1HD1 LEU 14 -10.976 3.775 -6.403 110 HD12 LEU 14 2HD1 LEU 14 -10.340 3.013 -4.944 111 HD13 LEU 14 3HD1 LEU 14 -10.215 2.186 -6.497 112 HD21 LEU 14 3HD2 LEU 14 -7.590 4.318 -7.914 113 HD22 LEU 14 1HD2 LEU 14 -9.312 4.592 -8.188 114 HD23 LEU 14 2HD2 LEU 14 -8.664 2.953 -8.204 115 H ASP 15 H ASP 15 -6.889 6.790 -3.357 116 HA ASP 15 HA ASP 15 -7.849 9.525 -3.929 117 HB2 ASP 15 2HB ASP 15 -8.315 8.043 -1.372 118 HB3 ASP 15 1HB ASP 15 -8.926 9.631 -1.771 119 H THR 16 H THR 16 -6.933 11.139 -2.615 120 HA THR 16 HA THR 16 -4.293 10.497 -1.527 121 HB THR 16 HB THR 16 -4.056 13.019 -1.636 122 HG1 THR 16 1HG THR 16 -6.454 13.209 -1.735 123 HG21 THR 16 3HG2 THR 16 -3.698 13.069 -4.046 124 HG22 THR 16 1HG2 THR 16 -4.742 11.662 -4.244 125 HG23 THR 16 2HG2 THR 16 -3.208 11.495 -3.409 126 H LEU 17 H LEU 17 -3.884 10.810 0.704 127 HA LEU 17 HA LEU 17 -6.120 11.917 2.216 128 HB2 LEU 17 2HB LEU 17 -3.935 10.075 3.197 129 HB3 LEU 17 1HB LEU 17 -5.271 10.661 4.157 130 HG LEU 17 HG LEU 17 -5.321 8.564 1.970 131 HD11 LEU 17 1HD1 LEU 17 -6.048 8.479 4.859 132 HD12 LEU 17 2HD1 LEU 17 -4.636 7.755 4.077 133 HD13 LEU 17 3HD1 LEU 17 -6.255 7.189 3.678 134 HD21 LEU 17 3HD2 LEU 17 -7.756 8.453 2.279 135 HD22 LEU 17 1HD2 LEU 17 -7.280 10.028 1.644 136 HD23 LEU 17 2HD2 LEU 17 -7.690 9.851 3.350 137 HA PRO 18 HA PRO 18 -3.485 15.305 3.412 138 HB2 PRO 18 2HB PRO 18 -4.543 14.986 6.164 139 HB3 PRO 18 1HB PRO 18 -4.630 16.397 5.089 140 HG2 PRO 18 2HG PRO 18 -6.789 14.969 5.572 141 HG3 PRO 18 1HG PRO 18 -6.463 15.621 3.953 142 HD2 PRO 18 2HD PRO 18 -6.121 12.830 4.948 143 HD3 PRO 18 1HD PRO 18 -6.739 13.420 3.388 144 H ASN 19 H ASN 19 -1.582 15.741 4.490 145 HA ASN 19 HA ASN 19 0.310 15.502 5.685 146 HB2 ASN 19 2HB ASN 19 -1.322 13.518 7.269 147 HB3 ASN 19 1HB ASN 19 0.323 13.956 7.704 148 HD21 ASN 19 1HD2 ASN 19 -0.348 14.826 9.697 149 HD22 ASN 19 2HD2 ASN 19 -1.210 16.325 9.777 150 H ALA 20 H ALA 20 -0.205 13.916 3.324 151 HA ALA 20 HA ALA 20 1.044 12.642 1.936 152 HB1 ALA 20 1HB ALA 20 2.996 12.307 4.213 153 HB2 ALA 20 2HB ALA 20 3.014 13.624 3.042 154 HB3 ALA 20 3HB ALA 20 3.298 11.966 2.509 155 H MET 21 H MET 21 -1.039 11.564 3.584 156 HA MET 21 HA MET 21 -0.260 8.743 3.569 157 HB2 MET 21 2HB MET 21 -2.217 10.290 5.107 158 HB3 MET 21 1HB MET 21 -2.892 8.842 4.385 159 HG2 MET 21 2HG MET 21 -2.200 8.346 6.561 160 HG3 MET 21 1HG MET 21 -1.152 7.510 5.429 161 HE1 MET 21 3HE MET 21 0.071 11.201 7.935 162 HE2 MET 21 1HE MET 21 -1.477 10.366 8.057 163 HE3 MET 21 2HE MET 21 -1.087 11.300 6.610 164 H PHE 22 H PHE 22 -1.787 7.258 2.473 165 HA PHE 22 HA PHE 22 -3.444 8.571 0.483 166 HB2 PHE 22 2HB PHE 22 -1.228 6.626 -0.204 167 HB3 PHE 22 1HB PHE 22 -2.529 7.045 -1.307 168 HD1 PHE 22 1HD PHE 22 -2.612 9.244 -2.343 169 HD2 PHE 22 2HD PHE 22 0.513 8.195 0.323 170 HE1 PHE 22 1HE PHE 22 -1.308 11.204 -3.090 171 HE2 PHE 22 2HE PHE 22 1.815 10.149 -0.423 172 HZ PHE 22 HZ PHE 22 0.893 11.653 -2.127 173 H LYS 23 H LYS 23 -5.094 7.329 -0.316 174 HA LYS 23 HA LYS 23 -5.625 4.906 1.210 175 HB2 LYS 23 2HB LYS 23 -7.436 6.474 1.414 176 HB3 LYS 23 1HB LYS 23 -7.422 6.775 -0.321 177 HG2 LYS 23 2HG LYS 23 -8.148 4.449 -0.696 178 HG3 LYS 23 1HG LYS 23 -8.247 4.225 1.048 179 HD2 LYS 23 2HD LYS 23 -10.066 5.676 1.250 180 HD3 LYS 23 1HD LYS 23 -9.745 6.435 -0.313 181 HE2 LYS 23 2HE LYS 23 -10.680 3.595 0.097 182 HE3 LYS 23 1HE LYS 23 -11.691 4.944 -0.429 183 HZ1 LYS 23 3HZ LYS 23 -9.359 3.815 -1.880 184 HZ2 LYS 23 1HZ LYS 23 -10.224 5.186 -2.387 185 HZ3 LYS 23 2HZ LYS 23 -10.885 3.584 -2.328 186 H VAL 24 H VAL 24 -4.939 3.280 0.242 187 HA VAL 24 HA VAL 24 -4.979 3.141 -2.719 188 HB VAL 24 HB VAL 24 -3.099 1.630 -0.894 189 HG11 VAL 24 1HG1 VAL 24 -3.304 0.638 -3.020 190 HG12 VAL 24 2HG1 VAL 24 -1.698 1.335 -2.807 191 HG13 VAL 24 3HG1 VAL 24 -2.894 2.161 -3.807 192 HG21 VAL 24 3HG2 VAL 24 -2.578 3.901 -0.432 193 HG22 VAL 24 1HG2 VAL 24 -2.578 4.316 -2.143 194 HG23 VAL 24 2HG2 VAL 24 -1.325 3.265 -1.494 195 H GLU 25 H GLU 25 -5.787 1.269 -3.665 196 HA GLU 25 HA GLU 25 -6.849 -0.634 -1.744 197 HB2 GLU 25 2HB GLU 25 -7.937 0.286 -4.355 198 HB3 GLU 25 1HB GLU 25 -8.126 -1.417 -3.977 199 HG2 GLU 25 2HG GLU 25 -10.093 -0.501 -3.231 200 HG3 GLU 25 1HG GLU 25 -9.141 -0.642 -1.776 201 H LEU 26 H LEU 26 -6.242 -2.577 -1.743 202 HA LEU 26 HA LEU 26 -3.958 -3.462 -3.249 203 HB2 LEU 26 2HB LEU 26 -5.834 -4.899 -1.392 204 HB3 LEU 26 1HB LEU 26 -4.513 -5.702 -2.201 205 HG LEU 26 HG LEU 26 -4.216 -3.435 -0.238 206 HD11 LEU 26 1HD1 LEU 26 -3.379 -5.182 1.268 207 HD12 LEU 26 2HD1 LEU 26 -3.752 -6.407 0.058 208 HD13 LEU 26 3HD1 LEU 26 -5.054 -5.486 0.810 209 HD21 LEU 26 3HD2 LEU 26 -2.196 -5.231 -1.586 210 HD22 LEU 26 1HD2 LEU 26 -1.839 -4.095 -0.286 211 HD23 LEU 26 2HD2 LEU 26 -2.396 -3.497 -1.844 212 H GLU 27 H GLU 27 -4.002 -5.628 -4.331 213 HA GLU 27 HA GLU 27 -5.836 -5.675 -6.474 214 HB2 GLU 27 2HB GLU 27 -4.618 -8.061 -6.711 215 HB3 GLU 27 1HB GLU 27 -3.858 -6.555 -7.196 216 HG2 GLU 27 2HG GLU 27 -2.332 -8.060 -5.958 217 HG3 GLU 27 1HG GLU 27 -2.533 -6.502 -5.179 218 H ASN 28 H ASN 28 -5.599 -7.184 -3.425 219 HA ASN 28 HA ASN 28 -7.658 -9.130 -3.671 220 HB2 ASN 28 2HB ASN 28 -5.840 -9.158 -1.967 221 HB3 ASN 28 1HB ASN 28 -6.537 -7.738 -1.217 222 HD21 ASN 28 1HD2 ASN 28 -6.694 -8.839 0.734 223 HD22 ASN 28 2HD2 ASN 28 -7.913 -10.053 1.000 224 H GLY 29 H GLY 29 -7.881 -5.809 -3.791 225 HA2 GLY 29 2HA GLY 29 -9.797 -4.546 -4.096 226 HA3 GLY 29 1HA GLY 29 -10.747 -5.936 -3.615 227 H HIS 30 H HIS 30 -8.385 -5.182 -1.343 228 HA HIS 30 HA HIS 30 -10.436 -4.033 0.382 229 HB2 HIS 30 2HB HIS 30 -8.761 -6.035 0.971 230 HB3 HIS 30 1HB HIS 30 -7.718 -4.635 1.280 231 HD1 HIS 30 1HD HIS 30 -11.253 -5.501 2.424 232 HD2 HIS 30 2HD HIS 30 -7.760 -3.716 3.766 233 HE1 HIS 30 1HE HIS 30 -11.736 -4.752 4.763 234 HE2 HIS 30 2HE HIS 30 -9.857 -3.128 5.030 235 H GLU 31 H GLU 31 -9.802 -2.160 1.696 236 HA GLU 31 HA GLU 31 -8.234 -0.362 0.123 237 HB2 GLU 31 2HB GLU 31 -9.386 1.318 1.321 238 HB3 GLU 31 1HB GLU 31 -10.601 0.094 1.016 239 HG2 GLU 31 2HG GLU 31 -9.103 0.504 3.576 240 HG3 GLU 31 1HG GLU 31 -10.786 1.025 3.316 241 H ILE 32 H ILE 32 -6.419 0.430 0.930 242 HA ILE 32 HA ILE 32 -5.679 -0.363 3.608 243 HB ILE 32 HB ILE 32 -3.294 -0.570 2.805 244 HG12 ILE 32 2HG1 ILE 32 -4.613 -0.724 0.135 245 HG13 ILE 32 1HG1 ILE 32 -3.739 0.688 0.778 246 HG21 ILE 32 1HG2 ILE 32 -3.551 -2.827 1.845 247 HG22 ILE 32 2HG2 ILE 32 -5.277 -2.520 1.630 248 HG23 ILE 32 3HG2 ILE 32 -4.586 -2.573 3.251 249 HD11 ILE 32 3HD1 ILE 32 -2.361 -0.640 -0.801 250 HD12 ILE 32 1HD1 ILE 32 -2.529 -2.034 0.265 251 HD13 ILE 32 2HD1 ILE 32 -1.673 -0.592 0.821 252 H LEU 33 H LEU 33 -4.777 1.151 4.705 253 HA LEU 33 HA LEU 33 -4.627 3.769 3.398 254 HB2 LEU 33 2HB LEU 33 -4.642 3.102 6.351 255 HB3 LEU 33 1HB LEU 33 -4.688 4.710 5.659 256 HG LEU 33 HG LEU 33 -6.860 2.640 5.395 257 HD11 LEU 33 1HD1 LEU 33 -6.719 5.154 7.066 258 HD12 LEU 33 2HD1 LEU 33 -6.681 3.497 7.674 259 HD13 LEU 33 3HD1 LEU 33 -8.135 4.118 6.895 260 HD21 LEU 33 3HD2 LEU 33 -8.201 4.460 4.465 261 HD22 LEU 33 1HD2 LEU 33 -6.774 4.153 3.474 262 HD23 LEU 33 2HD2 LEU 33 -6.814 5.537 4.574 263 H ALA 34 H ALA 34 -2.713 4.461 2.993 264 HA ALA 34 HA ALA 34 -0.548 3.056 4.319 265 HB1 ALA 34 1HB ALA 34 0.618 2.897 2.230 266 HB2 ALA 34 2HB ALA 34 -0.700 3.745 1.411 267 HB3 ALA 34 3HB ALA 34 -0.974 2.149 2.106 268 H HIS 35 H HIS 35 1.458 4.092 4.305 269 HA HIS 35 HA HIS 35 1.245 7.002 4.560 270 HB2 HIS 35 2HB HIS 35 3.058 5.004 5.930 271 HB3 HIS 35 1HB HIS 35 2.897 6.710 6.280 272 HD1 HIS 35 1HD HIS 35 1.007 3.418 6.662 273 HD2 HIS 35 2HD HIS 35 0.939 7.304 8.181 274 HE1 HIS 35 1HE HIS 35 -0.579 3.359 8.589 275 HE2 HIS 35 2HE HIS 35 -0.470 5.664 9.599 276 H VAL 36 H VAL 36 2.748 8.020 3.066 277 HA VAL 36 HA VAL 36 4.559 6.198 1.770 278 HB VAL 36 HB VAL 36 5.410 8.124 0.459 279 HG11 VAL 36 1HG1 VAL 36 3.360 8.533 -0.834 280 HG12 VAL 36 2HG1 VAL 36 2.449 7.718 0.443 281 HG13 VAL 36 3HG1 VAL 36 3.659 6.836 -0.482 282 HG21 VAL 36 3HG2 VAL 36 5.050 9.911 2.065 283 HG22 VAL 36 1HG2 VAL 36 3.305 9.709 1.919 284 HG23 VAL 36 2HG2 VAL 36 4.245 10.279 0.538 285 H SER 37 H SER 37 6.714 6.229 1.758 286 HA SER 37 HA SER 37 7.948 6.661 4.242 287 HB2 SER 37 2HB SER 37 9.983 5.917 3.150 288 HB3 SER 37 1HB SER 37 8.635 4.917 2.614 289 HG SER 37 HG SER 37 8.653 5.867 0.672 290 H GLY 38 H GLY 38 9.856 8.002 4.613 291 HA2 GLY 38 2HA GLY 38 9.504 10.698 4.137 292 HA3 GLY 38 1HA GLY 38 11.007 9.955 4.649 293 H LYS 39 H LYS 39 10.759 8.346 1.900 294 HA LYS 39 HA LYS 39 12.642 9.919 0.446 295 HB2 LYS 39 2HB LYS 39 10.777 7.817 -0.668 296 HB3 LYS 39 1HB LYS 39 12.302 8.335 -1.344 297 HG2 LYS 39 2HG LYS 39 13.501 7.208 0.424 298 HG3 LYS 39 1HG LYS 39 11.979 6.803 1.233 299 HD2 LYS 39 2HD LYS 39 11.269 5.580 -0.818 300 HD3 LYS 39 1HD LYS 39 12.858 5.882 -1.508 301 HE2 LYS 39 2HE LYS 39 13.889 4.591 0.276 302 HE3 LYS 39 1HE LYS 39 12.312 4.342 1.026 303 HZ1 LYS 39 3HZ LYS 39 11.601 3.154 -0.995 304 HZ2 LYS 39 1HZ LYS 39 12.945 2.408 -0.281 305 HZ3 LYS 39 2HZ LYS 39 13.131 3.367 -1.659 306 H ILE 40 H ILE 40 9.244 9.259 0.255 307 HA ILE 40 HA ILE 40 8.803 10.736 -2.174 308 HB ILE 40 HB ILE 40 6.937 9.189 -0.366 309 HG12 ILE 40 2HG1 ILE 40 8.223 8.351 -2.966 310 HG13 ILE 40 1HG1 ILE 40 8.832 7.900 -1.379 311 HG21 ILE 40 1HG2 ILE 40 5.424 9.157 -2.285 312 HG22 ILE 40 2HG2 ILE 40 6.584 10.110 -3.209 313 HG23 ILE 40 3HG2 ILE 40 5.773 10.826 -1.809 314 HD11 ILE 40 3HD1 ILE 40 6.150 7.187 -2.519 315 HD12 ILE 40 1HD1 ILE 40 6.756 6.707 -0.937 316 HD13 ILE 40 2HD1 ILE 40 7.547 6.116 -2.400 317 H ARG 41 H ARG 41 8.489 11.175 1.203 318 HA ARG 41 HA ARG 41 6.522 13.229 1.074 319 HB2 ARG 41 2HB ARG 41 8.497 12.528 3.234 320 HB3 ARG 41 1HB ARG 41 7.235 13.747 3.422 321 HG2 ARG 41 2HG ARG 41 5.558 11.985 2.924 322 HG3 ARG 41 1HG ARG 41 6.869 10.808 2.913 323 HD2 ARG 41 2HD ARG 41 7.346 11.278 5.243 324 HD3 ARG 41 1HD ARG 41 6.118 12.549 5.259 325 HE ARG 41 HE ARG 41 5.556 9.700 4.804 326 HH11 ARG 41 1HH1 ARG 41 4.697 12.778 6.351 327 HH12 ARG 41 2HH1 ARG 41 3.114 12.295 6.760 328 HH21 ARG 41 1HH2 ARG 41 3.401 9.037 5.441 329 HH22 ARG 41 2HH2 ARG 41 2.360 10.110 6.264 330 H MET 42 H MET 42 10.083 13.263 1.390 331 HA MET 42 HA MET 42 10.041 16.103 1.177 332 HB2 MET 42 2HB MET 42 12.532 16.054 1.279 333 HB3 MET 42 1HB MET 42 11.746 15.275 2.631 334 HG2 MET 42 2HG MET 42 13.599 13.940 2.135 335 HG3 MET 42 1HG MET 42 12.234 13.075 1.447 336 HE1 MET 42 3HE MET 42 15.205 12.226 -0.972 337 HE2 MET 42 1HE MET 42 13.941 11.567 0.066 338 HE3 MET 42 2HE MET 42 15.287 12.457 0.775 339 H ASN 43 H ASN 43 10.879 13.535 -1.064 340 HA ASN 43 HA ASN 43 11.681 15.486 -3.061 341 HB2 ASN 43 2HB ASN 43 12.760 13.143 -2.645 342 HB3 ASN 43 1HB ASN 43 11.349 12.518 -3.483 343 HD21 ASN 43 1HD2 ASN 43 14.195 12.387 -4.149 344 HD22 ASN 43 2HD2 ASN 43 14.337 13.064 -5.735 345 H TYR 44 H TYR 44 10.703 14.969 -5.331 346 HA TYR 44 HA TYR 44 7.832 15.291 -4.997 347 HB2 TYR 44 2HB TYR 44 9.744 16.144 -7.123 348 HB3 TYR 44 1HB TYR 44 7.994 16.222 -7.369 349 HD1 TYR 44 2HD TYR 44 6.629 17.729 -5.992 350 HD2 TYR 44 1HD TYR 44 10.870 17.713 -5.671 351 HE1 TYR 44 2HE TYR 44 6.537 19.870 -4.796 352 HE2 TYR 44 1HE TYR 44 10.788 19.858 -4.464 353 HH TYR 44 HH TYR 44 9.265 21.780 -4.228 354 H ILE 45 H ILE 45 9.335 12.727 -5.185 355 HA ILE 45 HA ILE 45 8.247 11.447 -7.570 356 HB ILE 45 HB ILE 45 9.194 9.353 -6.577 357 HG12 ILE 45 2HG1 ILE 45 10.152 11.191 -4.355 358 HG13 ILE 45 1HG1 ILE 45 8.914 9.957 -4.197 359 HG21 ILE 45 1HG2 ILE 45 11.563 9.979 -6.805 360 HG22 ILE 45 2HG2 ILE 45 11.109 11.681 -6.708 361 HG23 ILE 45 3HG2 ILE 45 10.557 10.698 -8.064 362 HD11 ILE 45 3HD1 ILE 45 10.578 8.227 -4.657 363 HD12 ILE 45 1HD1 ILE 45 11.039 9.212 -3.269 364 HD13 ILE 45 2HD1 ILE 45 11.819 9.468 -4.830 365 H ARG 46 H ARG 46 6.361 12.669 -6.176 366 HA ARG 46 HA ARG 46 5.132 11.057 -4.145 367 HB2 ARG 46 2HB ARG 46 4.270 13.686 -5.347 368 HB3 ARG 46 1HB ARG 46 3.588 12.932 -3.903 369 HG2 ARG 46 2HG ARG 46 5.713 13.083 -2.769 370 HG3 ARG 46 1HG ARG 46 6.472 13.724 -4.215 371 HD2 ARG 46 2HD ARG 46 4.971 15.706 -4.035 372 HD3 ARG 46 1HD ARG 46 4.378 15.055 -2.501 373 HE ARG 46 HE ARG 46 7.102 15.042 -2.296 374 HH11 ARG 46 1HH1 ARG 46 4.657 17.554 -2.731 375 HH12 ARG 46 2HH1 ARG 46 5.594 18.804 -2.041 376 HH21 ARG 46 1HH2 ARG 46 8.409 16.742 -1.360 377 HH22 ARG 46 2HH2 ARG 46 7.818 18.317 -1.227 378 H ILE 47 H ILE 47 3.137 10.247 -4.139 379 HA ILE 47 HA ILE 47 2.378 8.971 -6.545 380 HB ILE 47 HB ILE 47 1.729 8.694 -3.628 381 HG12 ILE 47 2HG1 ILE 47 2.494 6.319 -4.093 382 HG13 ILE 47 1HG1 ILE 47 2.989 6.917 -5.676 383 HG21 ILE 47 1HG2 ILE 47 -0.383 8.365 -4.687 384 HG22 ILE 47 2HG2 ILE 47 0.258 6.829 -4.089 385 HG23 ILE 47 3HG2 ILE 47 0.345 7.217 -5.812 386 HD11 ILE 47 3HD1 ILE 47 4.032 7.806 -3.016 387 HD12 ILE 47 1HD1 ILE 47 4.539 8.447 -4.581 388 HD13 ILE 47 2HD1 ILE 47 4.853 6.758 -4.178 389 H LEU 48 H LEU 48 0.642 9.319 -7.710 390 HA LEU 48 HA LEU 48 -1.433 11.107 -6.746 391 HB2 LEU 48 2HB LEU 48 -0.073 11.033 -9.398 392 HB3 LEU 48 1HB LEU 48 -1.787 11.382 -9.371 393 HG LEU 48 HG LEU 48 -1.326 13.232 -7.807 394 HD11 LEU 48 1HD1 LEU 48 0.857 12.565 -6.953 395 HD12 LEU 48 2HD1 LEU 48 0.970 14.157 -7.704 396 HD13 LEU 48 3HD1 LEU 48 1.564 12.735 -8.560 397 HD21 LEU 48 3HD2 LEU 48 -1.732 13.664 -10.139 398 HD22 LEU 48 1HD2 LEU 48 -0.035 13.379 -10.525 399 HD23 LEU 48 2HD2 LEU 48 -0.496 14.774 -9.549 400 HA PRO 49 HA PRO 49 -4.412 7.848 -7.061 401 HB2 PRO 49 2HB PRO 49 -5.859 9.921 -8.682 402 HB3 PRO 49 1HB PRO 49 -6.484 8.890 -7.372 403 HG2 PRO 49 2HG PRO 49 -5.923 11.398 -6.859 404 HG3 PRO 49 1HG PRO 49 -5.470 10.137 -5.695 405 HD2 PRO 49 2HD PRO 49 -3.738 11.684 -7.528 406 HD3 PRO 49 1HD PRO 49 -3.391 11.000 -5.927 407 H GLY 50 H GLY 50 -4.406 6.204 -8.429 408 HA2 GLY 50 2HA GLY 50 -4.687 5.233 -10.612 409 HA3 GLY 50 1HA GLY 50 -3.970 6.686 -11.299 410 H ASP 51 H ASP 51 -1.951 6.583 -8.969 411 HA ASP 51 HA ASP 51 0.144 5.183 -10.243 412 HB2 ASP 51 2HB ASP 51 -0.187 6.570 -7.664 413 HB3 ASP 51 1HB ASP 51 1.011 5.285 -7.666 414 H LYS 52 H LYS 52 1.124 3.306 -9.778 415 HA LYS 52 HA LYS 52 -0.394 1.364 -8.187 416 HB2 LYS 52 2HB LYS 52 0.172 0.825 -10.603 417 HB3 LYS 52 1HB LYS 52 1.870 0.886 -10.146 418 HG2 LYS 52 2HG LYS 52 1.264 -0.875 -8.394 419 HG3 LYS 52 1HG LYS 52 -0.221 -1.088 -9.318 420 HD2 LYS 52 2HD LYS 52 1.133 -1.567 -11.327 421 HD3 LYS 52 1HD LYS 52 2.595 -1.407 -10.348 422 HE2 LYS 52 2HE LYS 52 1.513 -3.171 -8.829 423 HE3 LYS 52 1HE LYS 52 0.448 -3.488 -10.193 424 HZ1 LYS 52 3HZ LYS 52 2.401 -4.917 -9.991 425 HZ2 LYS 52 1HZ LYS 52 3.386 -3.627 -10.192 426 HZ3 LYS 52 2HZ LYS 52 2.436 -4.130 -11.521 427 H VAL 53 H VAL 53 0.561 0.791 -6.258 428 HA VAL 53 HA VAL 53 3.362 1.582 -5.993 429 HB VAL 53 HB VAL 53 3.076 2.226 -3.689 430 HG11 VAL 53 1HG1 VAL 53 2.915 3.980 -5.349 431 HG12 VAL 53 2HG1 VAL 53 1.795 4.323 -4.026 432 HG13 VAL 53 3HG1 VAL 53 1.189 3.674 -5.548 433 HG21 VAL 53 3HG2 VAL 53 0.824 2.542 -2.701 434 HG22 VAL 53 1HG2 VAL 53 1.172 0.849 -3.062 435 HG23 VAL 53 2HG2 VAL 53 0.119 1.779 -4.127 436 H THR 54 H THR 54 4.599 0.527 -4.417 437 HA THR 54 HA THR 54 3.747 -2.185 -3.876 438 HB THR 54 HB THR 54 6.455 -0.866 -3.472 439 HG1 THR 54 1HG THR 54 5.410 -2.249 -5.753 440 HG21 THR 54 3HG2 THR 54 6.090 -2.995 -2.278 441 HG22 THR 54 1HG2 THR 54 7.282 -3.185 -3.565 442 HG23 THR 54 2HG2 THR 54 5.634 -3.765 -3.798 443 H VAL 55 H VAL 55 3.001 -2.532 -1.864 444 HA VAL 55 HA VAL 55 3.494 -0.445 0.104 445 HB VAL 55 HB VAL 55 1.105 -0.707 -0.589 446 HG11 VAL 55 1HG1 VAL 55 0.982 -3.092 -0.989 447 HG12 VAL 55 2HG1 VAL 55 -0.224 -2.607 0.202 448 HG13 VAL 55 3HG1 VAL 55 1.241 -3.419 0.723 449 HG21 VAL 55 3HG2 VAL 55 1.716 -1.340 2.286 450 HG22 VAL 55 1HG2 VAL 55 0.162 -0.747 1.698 451 HG23 VAL 55 2HG2 VAL 55 1.603 0.260 1.555 452 H GLU 56 H GLU 56 4.403 -0.905 1.874 453 HA GLU 56 HA GLU 56 5.303 -3.610 2.468 454 HB2 GLU 56 2HB GLU 56 6.887 -1.695 2.470 455 HB3 GLU 56 1HB GLU 56 5.906 -0.916 3.700 456 HG2 GLU 56 2HG GLU 56 6.326 -2.980 5.099 457 HG3 GLU 56 1HG GLU 56 7.595 -3.368 3.932 458 H MET 57 H MET 57 4.173 -4.700 3.984 459 HA MET 57 HA MET 57 2.804 -3.231 6.059 460 HB2 MET 57 2HB MET 57 0.775 -4.799 5.672 461 HB3 MET 57 1HB MET 57 0.960 -3.355 4.676 462 HG2 MET 57 2HG MET 57 1.759 -4.691 2.864 463 HG3 MET 57 1HG MET 57 1.801 -6.115 3.901 464 HE1 MET 57 3HE MET 57 -1.103 -3.555 4.260 465 HE2 MET 57 1HE MET 57 -2.186 -4.014 2.950 466 HE3 MET 57 2HE MET 57 -0.614 -3.280 2.580 467 H SER 58 H SER 58 2.257 -4.444 7.854 468 HA SER 58 HA SER 58 4.207 -6.330 8.549 469 HB2 SER 58 2HB SER 58 1.585 -5.732 9.931 470 HB3 SER 58 1HB SER 58 3.057 -6.366 10.665 471 HG SER 58 HG SER 58 2.393 -3.859 10.468 472 HA PRO 59 HA PRO 59 2.278 -10.073 6.942 473 HB2 PRO 59 2HB PRO 59 3.385 -11.450 9.325 474 HB3 PRO 59 1HB PRO 59 3.696 -11.768 7.606 475 HG2 PRO 59 2HG PRO 59 5.551 -10.655 9.109 476 HG3 PRO 59 1HG PRO 59 5.301 -10.138 7.432 477 HD2 PRO 59 2HD PRO 59 4.471 -8.781 9.954 478 HD3 PRO 59 1HD PRO 59 5.124 -8.095 8.450 479 H TYR 60 H TYR 60 1.640 -8.828 10.018 480 HA TYR 60 HA TYR 60 -0.592 -10.680 10.465 481 HB2 TYR 60 2HB TYR 60 1.168 -10.481 12.249 482 HB3 TYR 60 1HB TYR 60 0.749 -8.788 12.420 483 HD1 TYR 60 2HD TYR 60 -0.728 -12.203 12.666 484 HD2 TYR 60 1HD TYR 60 -0.864 -8.166 14.007 485 HE1 TYR 60 2HE TYR 60 -2.409 -12.823 14.350 486 HE2 TYR 60 1HE TYR 60 -2.543 -8.777 15.694 487 HH TYR 60 HH TYR 60 -4.222 -10.529 16.056 488 H ASP 61 H ASP 61 -0.136 -7.904 8.876 489 HA ASP 61 HA ASP 61 -2.496 -6.583 10.032 490 HB2 ASP 61 2HB ASP 61 -0.352 -5.132 9.987 491 HB3 ASP 61 1HB ASP 61 -0.436 -5.160 8.245 492 H LEU 62 H LEU 62 -1.019 -6.231 6.854 493 HA LEU 62 HA LEU 62 -1.749 -6.309 4.780 494 HB2 LEU 62 2HB LEU 62 -3.161 -8.705 5.855 495 HB3 LEU 62 1HB LEU 62 -3.504 -8.177 4.223 496 HG LEU 62 HG LEU 62 -1.055 -8.366 3.720 497 HD11 LEU 62 1HD1 LEU 62 -0.159 -8.234 5.963 498 HD12 LEU 62 2HD1 LEU 62 0.344 -9.731 5.178 499 HD13 LEU 62 3HD1 LEU 62 -0.939 -9.757 6.386 500 HD21 LEU 62 3HD2 LEU 62 -2.613 -10.092 3.039 501 HD22 LEU 62 1HD2 LEU 62 -2.464 -10.876 4.611 502 HD23 LEU 62 2HD2 LEU 62 -1.077 -10.810 3.523 503 H THR 63 H THR 63 -3.370 -4.720 6.772 504 HA THR 63 HA THR 63 -5.388 -4.138 4.771 505 HB THR 63 HB THR 63 -6.518 -5.214 6.661 506 HG1 THR 63 1HG THR 63 -7.851 -3.323 7.323 507 HG21 THR 63 3HG2 THR 63 -5.439 -2.976 8.373 508 HG22 THR 63 1HG2 THR 63 -4.956 -4.670 8.471 509 HG23 THR 63 2HG2 THR 63 -6.603 -4.194 8.891 510 H ARG 64 H ARG 64 -2.992 -2.973 6.963 511 HA ARG 64 HA ARG 64 -3.310 -0.207 6.003 512 HB2 ARG 64 2HB ARG 64 -2.153 -1.406 8.483 513 HB3 ARG 64 1HB ARG 64 -2.008 0.277 8.171 514 HG2 ARG 64 2HG ARG 64 -4.447 -1.368 8.947 515 HG3 ARG 64 1HG ARG 64 -3.707 -0.068 9.848 516 HD2 ARG 64 2HD ARG 64 -5.726 0.851 9.059 517 HD3 ARG 64 1HD ARG 64 -4.520 1.472 7.938 518 HE ARG 64 HE ARG 64 -5.279 -0.546 6.517 519 HH11 ARG 64 1HH1 ARG 64 -7.562 1.327 8.515 520 HH12 ARG 64 2HH1 ARG 64 -8.902 0.945 7.520 521 HH21 ARG 64 1HH2 ARG 64 -7.115 -1.041 5.217 522 HH22 ARG 64 2HH2 ARG 64 -8.653 -0.508 5.578 523 H GLY 65 H GLY 65 -1.103 0.832 5.535 524 HA2 GLY 65 2HA GLY 65 1.214 -0.916 5.693 525 HA3 GLY 65 1HA GLY 65 0.626 -0.716 4.071 526 H ARG 66 H ARG 66 2.923 0.022 3.930 527 HA ARG 66 HA ARG 66 3.133 2.970 4.148 528 HB2 ARG 66 2HB ARG 66 4.534 1.704 5.866 529 HB3 ARG 66 1HB ARG 66 5.398 0.983 4.522 530 HG2 ARG 66 2HG ARG 66 5.588 3.646 3.947 531 HG3 ARG 66 1HG ARG 66 5.653 3.654 5.703 532 HD2 ARG 66 2HD ARG 66 7.476 2.215 3.783 533 HD3 ARG 66 1HD ARG 66 7.890 3.518 4.882 534 HE ARG 66 HE ARG 66 7.304 0.723 5.670 535 HH11 ARG 66 1HH1 ARG 66 8.743 3.824 6.570 536 HH12 ARG 66 2HH1 ARG 66 9.746 3.124 7.769 537 HH21 ARG 66 1HH2 ARG 66 8.557 -0.148 7.110 538 HH22 ARG 66 2HH2 ARG 66 9.661 0.681 8.137 539 H ILE 67 H ILE 67 4.012 3.896 2.179 540 HA ILE 67 HA ILE 67 4.517 1.996 0.044 541 HB ILE 67 HB ILE 67 4.320 4.998 -0.010 542 HG12 ILE 67 2HG1 ILE 67 2.473 4.265 -1.768 543 HG13 ILE 67 1HG1 ILE 67 2.610 2.780 -0.808 544 HG21 ILE 67 1HG2 ILE 67 4.855 3.131 -2.341 545 HG22 ILE 67 2HG2 ILE 67 5.985 4.307 -1.674 546 HG23 ILE 67 3HG2 ILE 67 4.524 4.857 -2.494 547 HD11 ILE 67 3HD1 ILE 67 0.794 4.217 -0.030 548 HD12 ILE 67 1HD1 ILE 67 1.958 5.508 0.273 549 HD13 ILE 67 2HD1 ILE 67 2.059 4.010 1.192 550 H THR 68 H THR 68 6.341 1.328 -0.339 551 HA THR 68 HA THR 68 8.697 2.746 0.664 552 HB THR 68 HB THR 68 9.822 0.521 0.067 553 HG1 THR 68 1HG THR 68 7.848 -1.097 0.281 554 HG21 THR 68 3HG2 THR 68 9.276 1.179 2.373 555 HG22 THR 68 1HG2 THR 68 9.019 -0.549 2.131 556 HG23 THR 68 2HG2 THR 68 7.642 0.552 2.162 557 H TYR 69 H TYR 69 7.046 1.852 -2.231 558 HA TYR 69 HA TYR 69 8.828 3.281 -3.963 559 HB2 TYR 69 2HB TYR 69 9.906 1.038 -3.609 560 HB3 TYR 69 1HB TYR 69 8.403 0.332 -4.182 561 HD1 TYR 69 2HD TYR 69 10.806 2.934 -5.447 562 HD2 TYR 69 1HD TYR 69 8.461 -0.510 -6.331 563 HE1 TYR 69 2HE TYR 69 11.615 2.982 -7.773 564 HE2 TYR 69 1HE TYR 69 9.269 -0.470 -8.657 565 HH TYR 69 HH TYR 69 11.898 1.419 -9.650 566 H ARG 70 H ARG 70 7.698 3.623 -5.987 567 HA ARG 70 HA ARG 70 5.099 2.367 -6.089 568 HB2 ARG 70 2HB ARG 70 4.301 4.206 -7.548 569 HB3 ARG 70 1HB ARG 70 4.784 4.778 -5.969 570 HG2 ARG 70 2HG ARG 70 6.826 5.696 -6.893 571 HG3 ARG 70 1HG ARG 70 6.419 5.038 -8.487 572 HD2 ARG 70 2HD ARG 70 4.398 6.364 -8.554 573 HD3 ARG 70 1HD ARG 70 4.708 6.963 -6.933 574 HE ARG 70 HE ARG 70 6.883 7.727 -8.290 575 HH11 ARG 70 1HH1 ARG 70 3.447 7.945 -9.156 576 HH12 ARG 70 2HH1 ARG 70 3.458 9.530 -9.643 577 HH21 ARG 70 1HH2 ARG 70 6.989 10.005 -9.122 578 HH22 ARG 70 2HH2 ARG 70 5.537 10.733 -9.663 579 H TYR 71 H TYR 71 4.521 1.345 -7.992 580 HA TYR 71 HA TYR 71 6.954 0.530 -9.394 581 HB2 TYR 71 2HB TYR 71 5.842 -1.167 -7.937 582 HB3 TYR 71 1HB TYR 71 4.420 -1.058 -8.961 583 HD1 TYR 71 2HD TYR 71 7.901 -2.200 -8.758 584 HD2 TYR 71 1HD TYR 71 4.385 -2.126 -11.149 585 HE1 TYR 71 2HE TYR 71 8.856 -3.938 -10.211 586 HE2 TYR 71 1HE TYR 71 5.327 -3.865 -12.601 587 HH TYR 71 HH TYR 71 8.044 -5.672 -11.744 588 H LYS 72 H LYS 72 7.075 0.863 -11.436 589 HA LYS 72 HA LYS 72 4.704 1.635 -12.981 590 HB2 LYS 72 2HB LYS 72 6.177 2.934 -14.365 591 HB3 LYS 72 1HB LYS 72 6.690 3.281 -12.726 592 HG2 LYS 72 2HG LYS 72 8.764 2.896 -13.555 593 HG3 LYS 72 1HG LYS 72 8.338 1.201 -13.321 594 HD2 LYS 72 2HD LYS 72 7.268 1.760 -15.812 595 HD3 LYS 72 1HD LYS 72 8.751 2.708 -15.808 596 HE2 LYS 72 2HE LYS 72 9.313 0.591 -16.730 597 HE3 LYS 72 1HE LYS 72 9.945 0.590 -15.087 598 HZ1 LYS 72 3HZ LYS 72 7.327 -0.584 -15.833 599 HZ2 LYS 72 1HZ LYS 72 8.030 -0.707 -14.368 600 HZ3 LYS 72 2HZ LYS 72 8.707 -1.546 -15.659 Start of MODEL 13 1 H1 MET 1 1HT MET 1 8.570 -11.658 0.090 2 H2 MET 1 2HT MET 1 9.324 -10.312 0.673 3 H3 MET 1 3HT MET 1 9.201 -11.689 1.668 4 HA MET 1 HA MET 1 10.824 -11.311 -0.794 5 HB2 MET 1 2HB MET 1 11.666 -12.303 1.963 6 HB3 MET 1 1HB MET 1 12.722 -11.827 0.647 7 HG2 MET 1 2HG MET 1 12.865 -10.087 2.202 8 HG3 MET 1 1HG MET 1 11.772 -9.480 0.957 9 HE1 MET 1 2HE MET 1 10.848 -7.575 2.527 10 HE2 MET 1 3HE MET 1 11.990 -8.094 3.768 11 HE3 MET 1 1HE MET 1 10.292 -7.850 4.177 12 H ALA 2 H ALA 2 12.431 -13.701 0.047 13 HA ALA 2 HA ALA 2 11.053 -15.804 -1.172 14 HB1 ALA 2 1HB ALA 2 13.489 -15.824 -0.789 15 HB2 ALA 2 2HB ALA 2 12.742 -17.284 -0.139 16 HB3 ALA 2 3HB ALA 2 13.215 -15.976 0.947 17 H LYS 3 H LYS 3 11.233 -14.812 2.163 18 HA LYS 3 HA LYS 3 8.768 -16.253 2.672 19 HB2 LYS 3 2HB LYS 3 9.457 -16.432 5.068 20 HB3 LYS 3 1HB LYS 3 10.527 -17.346 4.025 21 HG2 LYS 3 2HG LYS 3 12.197 -15.541 4.183 22 HG3 LYS 3 1HG LYS 3 11.108 -14.645 5.247 23 HD2 LYS 3 2HD LYS 3 11.178 -16.453 6.881 24 HD3 LYS 3 1HD LYS 3 12.199 -17.407 5.810 25 HE2 LYS 3 2HE LYS 3 13.560 -16.387 7.531 26 HE3 LYS 3 1HE LYS 3 13.946 -15.668 5.972 27 HZ1 LYS 3 3HZ LYS 3 12.456 -13.753 6.631 28 HZ2 LYS 3 1HZ LYS 3 13.747 -13.924 7.682 29 HZ3 LYS 3 2HZ LYS 3 12.182 -14.416 8.045 30 H GLN 4 H GLN 4 7.307 -14.901 3.979 31 HA GLN 4 HA GLN 4 8.165 -12.142 3.687 32 HB2 GLN 4 2HB GLN 4 5.326 -13.168 3.605 33 HB3 GLN 4 1HB GLN 4 5.817 -11.487 3.452 34 HG2 GLN 4 2HG GLN 4 7.148 -12.163 1.433 35 HG3 GLN 4 1HG GLN 4 6.377 -13.741 1.543 36 HE21 GLN 4 1HE2 GLN 4 6.014 -10.420 0.702 37 HE22 GLN 4 2HE2 GLN 4 4.446 -10.574 -0.010 38 H ASP 5 H ASP 5 9.147 -11.977 5.593 39 HA ASP 5 HA ASP 5 7.851 -12.340 8.120 40 HB2 ASP 5 2HB ASP 5 10.141 -10.458 7.440 41 HB3 ASP 5 1HB ASP 5 9.758 -11.119 9.024 42 H VAL 6 H VAL 6 8.264 -9.977 5.785 43 HA VAL 6 HA VAL 6 6.153 -8.264 6.865 44 HB VAL 6 HB VAL 6 8.542 -7.368 5.182 45 HG11 VAL 6 1HG1 VAL 6 6.557 -6.039 4.772 46 HG12 VAL 6 2HG1 VAL 6 7.770 -5.082 5.623 47 HG13 VAL 6 3HG1 VAL 6 6.383 -5.729 6.499 48 HG21 VAL 6 3HG2 VAL 6 8.059 -6.850 8.117 49 HG22 VAL 6 1HG2 VAL 6 9.357 -6.142 7.153 50 HG23 VAL 6 2HG2 VAL 6 9.315 -7.883 7.436 51 H ILE 7 H ILE 7 4.685 -7.710 5.117 52 HA ILE 7 HA ILE 7 5.076 -9.498 2.826 53 HB ILE 7 HB ILE 7 2.495 -8.261 3.850 54 HG12 ILE 7 2HG1 ILE 7 3.516 -11.107 4.095 55 HG13 ILE 7 1HG1 ILE 7 3.402 -9.941 5.407 56 HG21 ILE 7 1HG2 ILE 7 2.936 -10.404 1.765 57 HG22 ILE 7 2HG2 ILE 7 2.570 -8.722 1.429 58 HG23 ILE 7 3HG2 ILE 7 1.376 -9.729 2.262 59 HD11 ILE 7 3HD1 ILE 7 1.571 -11.532 5.489 60 HD12 ILE 7 1HD1 ILE 7 1.094 -11.091 3.849 61 HD13 ILE 7 2HD1 ILE 7 0.965 -9.910 5.148 62 H GLU 8 H GLU 8 5.621 -8.553 0.990 63 HA GLU 8 HA GLU 8 5.110 -5.708 0.678 64 HB2 GLU 8 2HB GLU 8 6.651 -7.380 -1.282 65 HB3 GLU 8 1HB GLU 8 6.836 -5.680 -0.902 66 HG2 GLU 8 2HG GLU 8 8.716 -6.452 0.095 67 HG3 GLU 8 1HG GLU 8 7.605 -6.709 1.439 68 H LEU 9 H LEU 9 3.356 -5.220 -0.375 69 HA LEU 9 HA LEU 9 2.481 -6.875 -2.630 70 HB2 LEU 9 2HB LEU 9 0.707 -5.596 -0.542 71 HB3 LEU 9 1HB LEU 9 0.133 -6.247 -2.057 72 HG LEU 9 HG LEU 9 1.397 -7.823 0.174 73 HD11 LEU 9 1HD1 LEU 9 -0.842 -8.758 0.462 74 HD12 LEU 9 2HD1 LEU 9 -1.447 -7.691 -0.805 75 HD13 LEU 9 3HD1 LEU 9 -0.840 -7.009 0.704 76 HD21 LEU 9 3HD2 LEU 9 0.699 -9.796 -1.141 77 HD22 LEU 9 1HD2 LEU 9 1.901 -8.825 -1.992 78 HD23 LEU 9 2HD2 LEU 9 0.204 -8.723 -2.451 79 H GLU 10 H GLU 10 1.192 -5.584 -4.147 80 HA GLU 10 HA GLU 10 1.673 -2.789 -3.778 81 HB2 GLU 10 2HB GLU 10 2.106 -2.681 -6.294 82 HB3 GLU 10 1HB GLU 10 3.396 -3.280 -5.276 83 HG2 GLU 10 2HG GLU 10 3.503 -4.820 -6.906 84 HG3 GLU 10 1HG GLU 10 2.283 -5.581 -5.886 85 H GLY 11 H GLY 11 0.249 -1.461 -5.117 86 HA2 GLY 11 2HA GLY 11 -2.067 -2.762 -6.061 87 HA3 GLY 11 1HA GLY 11 -2.327 -2.017 -4.485 88 H THR 12 H THR 12 -3.860 -1.110 -6.210 89 HA THR 12 HA THR 12 -2.771 1.158 -7.686 90 HB THR 12 HB THR 12 -5.562 0.128 -7.451 91 HG1 THR 12 1HG THR 12 -4.306 -1.611 -8.334 92 HG21 THR 12 3HG2 THR 12 -5.865 1.226 -9.654 93 HG22 THR 12 1HG2 THR 12 -4.180 1.748 -9.606 94 HG23 THR 12 2HG2 THR 12 -5.318 2.368 -8.419 95 H VAL 13 H VAL 13 -2.994 3.186 -6.956 96 HA VAL 13 HA VAL 13 -4.450 3.484 -4.489 97 HB VAL 13 HB VAL 13 -2.284 4.489 -4.327 98 HG11 VAL 13 1HG1 VAL 13 -1.511 6.231 -5.727 99 HG12 VAL 13 2HG1 VAL 13 -2.920 5.996 -6.801 100 HG13 VAL 13 3HG1 VAL 13 -1.745 4.682 -6.527 101 HG21 VAL 13 3HG2 VAL 13 -2.769 6.872 -3.862 102 HG22 VAL 13 1HG2 VAL 13 -3.994 5.785 -3.190 103 HG23 VAL 13 2HG2 VAL 13 -4.334 6.663 -4.665 104 H LEU 14 H LEU 14 -6.257 4.553 -4.140 105 HA LEU 14 HA LEU 14 -7.543 5.524 -6.564 106 HB2 LEU 14 2HB LEU 14 -8.702 4.256 -4.117 107 HB3 LEU 14 1HB LEU 14 -9.692 5.262 -5.149 108 HG LEU 14 HG LEU 14 -9.130 3.737 -7.049 109 HD11 LEU 14 1HD1 LEU 14 -8.323 1.490 -6.567 110 HD12 LEU 14 2HD1 LEU 14 -7.988 1.981 -4.905 111 HD13 LEU 14 3HD1 LEU 14 -7.110 2.727 -6.238 112 HD21 LEU 14 3HD2 LEU 14 -10.543 2.516 -4.688 113 HD22 LEU 14 1HD2 LEU 14 -10.687 1.972 -6.360 114 HD23 LEU 14 2HD2 LEU 14 -11.252 3.579 -5.904 115 H ASP 15 H ASP 15 -6.748 6.485 -3.281 116 HA ASP 15 HA ASP 15 -7.866 9.116 -3.975 117 HB2 ASP 15 2HB ASP 15 -8.050 7.921 -1.223 118 HB3 ASP 15 1HB ASP 15 -8.755 9.419 -1.760 119 H THR 16 H THR 16 -6.780 10.856 -3.023 120 HA THR 16 HA THR 16 -4.048 10.269 -2.166 121 HB THR 16 HB THR 16 -3.770 12.748 -2.661 122 HG1 THR 16 1HG THR 16 -6.139 13.040 -2.482 123 HG21 THR 16 3HG2 THR 16 -4.790 11.025 -4.926 124 HG22 THR 16 1HG2 THR 16 -3.140 11.014 -4.311 125 HG23 THR 16 2HG2 THR 16 -3.775 12.455 -5.104 126 H LEU 17 H LEU 17 -3.466 10.689 -0.026 127 HA LEU 17 HA LEU 17 -5.553 11.943 1.556 128 HB2 LEU 17 2HB LEU 17 -3.538 9.881 2.351 129 HB3 LEU 17 1HB LEU 17 -4.636 10.653 3.480 130 HG LEU 17 HG LEU 17 -5.300 8.686 1.272 131 HD11 LEU 17 1HD1 LEU 17 -6.144 7.367 3.104 132 HD12 LEU 17 2HD1 LEU 17 -5.614 8.603 4.247 133 HD13 LEU 17 3HD1 LEU 17 -4.426 7.724 3.280 134 HD21 LEU 17 3HD2 LEU 17 -7.039 10.426 1.297 135 HD22 LEU 17 1HD2 LEU 17 -7.201 10.238 3.047 136 HD23 LEU 17 2HD2 LEU 17 -7.643 8.914 1.970 137 HA PRO 18 HA PRO 18 -2.713 15.104 2.992 138 HB2 PRO 18 2HB PRO 18 -4.106 14.871 5.592 139 HB3 PRO 18 1HB PRO 18 -3.985 16.276 4.515 140 HG2 PRO 18 2HG PRO 18 -6.272 14.992 4.779 141 HG3 PRO 18 1HG PRO 18 -5.745 15.628 3.207 142 HD2 PRO 18 2HD PRO 18 -5.661 12.816 4.206 143 HD3 PRO 18 1HD PRO 18 -6.125 13.458 2.612 144 H ASN 19 H ASN 19 -0.970 15.371 4.411 145 HA ASN 19 HA ASN 19 0.683 14.913 5.898 146 HB2 ASN 19 2HB ASN 19 -1.224 12.804 6.953 147 HB3 ASN 19 1HB ASN 19 0.332 13.144 7.683 148 HD21 ASN 19 1HD2 ASN 19 -0.630 13.779 9.639 149 HD22 ASN 19 2HD2 ASN 19 -1.479 15.281 9.778 150 H ALA 20 H ALA 20 0.484 13.655 3.306 151 HA ALA 20 HA ALA 20 1.800 12.371 1.977 152 HB1 ALA 20 1HB ALA 20 3.660 13.259 3.333 153 HB2 ALA 20 2HB ALA 20 3.976 11.606 2.813 154 HB3 ALA 20 3HB ALA 20 3.463 11.925 4.470 155 H MET 21 H MET 21 -0.496 11.293 3.279 156 HA MET 21 HA MET 21 0.186 8.439 3.531 157 HB2 MET 21 2HB MET 21 -1.384 9.889 5.269 158 HB3 MET 21 1HB MET 21 -2.521 9.498 3.976 159 HG2 MET 21 2HG MET 21 -2.857 7.924 5.607 160 HG3 MET 21 1HG MET 21 -2.015 7.108 4.281 161 HE1 MET 21 3HE MET 21 -0.297 8.173 8.426 162 HE2 MET 21 1HE MET 21 -1.993 8.280 7.962 163 HE3 MET 21 2HE MET 21 -0.821 9.416 7.292 164 H PHE 22 H PHE 22 -1.286 7.108 2.283 165 HA PHE 22 HA PHE 22 -2.865 8.450 0.255 166 HB2 PHE 22 2HB PHE 22 -0.601 6.551 -0.381 167 HB3 PHE 22 1HB PHE 22 -1.969 6.737 -1.468 168 HD1 PHE 22 2HD PHE 22 0.985 8.381 -0.050 169 HD2 PHE 22 1HD PHE 22 -2.240 8.729 -2.791 170 HE1 PHE 22 2HE PHE 22 2.088 10.324 -1.097 171 HE2 PHE 22 1HE PHE 22 -1.144 10.666 -3.843 172 HZ PHE 22 HZ PHE 22 1.018 11.465 -2.996 173 H LYS 23 H LYS 23 -4.573 7.259 -0.501 174 HA LYS 23 HA LYS 23 -5.144 4.923 1.142 175 HB2 LYS 23 2HB LYS 23 -6.744 6.839 1.182 176 HB3 LYS 23 1HB LYS 23 -6.884 6.661 -0.558 177 HG2 LYS 23 2HG LYS 23 -8.015 4.579 -0.336 178 HG3 LYS 23 1HG LYS 23 -7.712 4.541 1.406 179 HD2 LYS 23 2HD LYS 23 -9.105 6.469 1.757 180 HD3 LYS 23 1HD LYS 23 -9.276 6.717 0.022 181 HE2 LYS 23 2HE LYS 23 -10.301 4.345 1.568 182 HE3 LYS 23 1HE LYS 23 -11.271 5.710 1.016 183 HZ1 LYS 23 3HZ LYS 23 -10.688 5.115 -1.285 184 HZ2 LYS 23 1HZ LYS 23 -11.459 3.814 -0.454 185 HZ3 LYS 23 2HZ LYS 23 -9.811 3.786 -0.690 186 H VAL 24 H VAL 24 -4.421 3.300 0.184 187 HA VAL 24 HA VAL 24 -4.581 3.032 -2.783 188 HB VAL 24 HB VAL 24 -2.592 1.619 -0.986 189 HG11 VAL 24 1HG1 VAL 24 -2.901 0.535 -3.076 190 HG12 VAL 24 2HG1 VAL 24 -1.295 1.257 -2.981 191 HG13 VAL 24 3HG1 VAL 24 -2.555 2.034 -3.937 192 HG21 VAL 24 3HG2 VAL 24 -2.161 4.240 -2.407 193 HG22 VAL 24 1HG2 VAL 24 -0.875 3.243 -1.714 194 HG23 VAL 24 2HG2 VAL 24 -2.116 3.937 -0.678 195 H GLU 25 H GLU 25 -5.198 1.063 -3.631 196 HA GLU 25 HA GLU 25 -6.516 -0.602 -1.660 197 HB2 GLU 25 2HB GLU 25 -8.010 0.685 -3.191 198 HB3 GLU 25 1HB GLU 25 -7.254 -0.140 -4.545 199 HG2 GLU 25 2HG GLU 25 -8.098 -2.267 -3.733 200 HG3 GLU 25 1HG GLU 25 -8.809 -1.461 -2.332 201 H LEU 26 H LEU 26 -5.774 -2.512 -1.539 202 HA LEU 26 HA LEU 26 -3.672 -3.466 -3.225 203 HB2 LEU 26 2HB LEU 26 -5.397 -4.912 -1.211 204 HB3 LEU 26 1HB LEU 26 -4.021 -5.609 -2.040 205 HG LEU 26 HG LEU 26 -3.865 -3.267 -0.146 206 HD11 LEU 26 1HD1 LEU 26 -3.169 -6.175 0.269 207 HD12 LEU 26 2HD1 LEU 26 -4.514 -5.315 1.021 208 HD13 LEU 26 3HD1 LEU 26 -2.851 -4.867 1.408 209 HD21 LEU 26 3HD2 LEU 26 -2.089 -3.262 -1.810 210 HD22 LEU 26 1HD2 LEU 26 -1.739 -4.957 -1.463 211 HD23 LEU 26 2HD2 LEU 26 -1.449 -3.730 -0.236 212 H GLU 27 H GLU 27 -3.809 -5.087 -4.731 213 HA GLU 27 HA GLU 27 -5.963 -5.072 -6.507 214 HB2 GLU 27 2HB GLU 27 -3.889 -7.244 -6.248 215 HB3 GLU 27 1HB GLU 27 -4.750 -6.757 -7.699 216 HG2 GLU 27 2HG GLU 27 -2.771 -5.039 -6.207 217 HG3 GLU 27 1HG GLU 27 -2.399 -5.988 -7.629 218 H ASN 28 H ASN 28 -5.789 -6.592 -3.606 219 HA ASN 28 HA ASN 28 -7.371 -8.988 -4.159 220 HB2 ASN 28 2HB ASN 28 -5.467 -8.760 -2.424 221 HB3 ASN 28 1HB ASN 28 -6.598 -7.841 -1.460 222 HD21 ASN 28 1HD2 ASN 28 -8.898 -9.661 -2.127 223 HD22 ASN 28 2HD2 ASN 28 -8.553 -11.114 -1.253 224 H GLY 29 H GLY 29 -7.978 -5.667 -3.711 225 HA2 GLY 29 2HA GLY 29 -10.099 -4.700 -3.768 226 HA3 GLY 29 1HA GLY 29 -10.792 -6.195 -3.160 227 H HIS 30 H HIS 30 -8.106 -5.346 -1.406 228 HA HIS 30 HA HIS 30 -9.740 -4.348 0.841 229 HB2 HIS 30 2HB HIS 30 -7.696 -6.143 0.874 230 HB3 HIS 30 1HB HIS 30 -6.889 -4.565 0.879 231 HD1 HIS 30 1HD HIS 30 -7.533 -2.853 2.995 232 HD2 HIS 30 2HD HIS 30 -8.293 -6.933 3.498 233 HE1 HIS 30 1HE HIS 30 -7.699 -3.198 5.418 234 HE2 HIS 30 2HE HIS 30 -7.807 -5.674 5.708 235 H GLU 31 H GLU 31 -9.638 -2.181 1.252 236 HA GLU 31 HA GLU 31 -7.586 -0.692 -0.130 237 HB2 GLU 31 2HB GLU 31 -8.806 1.361 0.472 238 HB3 GLU 31 1HB GLU 31 -9.834 0.233 -0.390 239 HG2 GLU 31 2HG GLU 31 -11.059 -0.289 1.539 240 HG3 GLU 31 1HG GLU 31 -9.841 0.434 2.592 241 H ILE 32 H ILE 32 -6.182 0.582 0.945 242 HA ILE 32 HA ILE 32 -5.907 -0.006 3.783 243 HB ILE 32 HB ILE 32 -3.469 -0.454 3.377 244 HG12 ILE 32 2HG1 ILE 32 -4.303 -0.733 0.512 245 HG13 ILE 32 1HG1 ILE 32 -3.486 0.713 1.118 246 HG21 ILE 32 1HG2 ILE 32 -5.099 -2.324 3.623 247 HG22 ILE 32 2HG2 ILE 32 -3.761 -2.752 2.549 248 HG23 ILE 32 3HG2 ILE 32 -5.324 -2.314 1.881 249 HD11 ILE 32 3HD1 ILE 32 -2.391 -2.091 1.081 250 HD12 ILE 32 1HD1 ILE 32 -1.558 -0.676 1.719 251 HD13 ILE 32 2HD1 ILE 32 -1.932 -0.775 -0.004 252 H LEU 33 H LEU 33 -4.614 1.505 4.848 253 HA LEU 33 HA LEU 33 -4.233 4.068 3.409 254 HB2 LEU 33 2HB LEU 33 -4.387 3.484 6.370 255 HB3 LEU 33 1HB LEU 33 -4.364 5.059 5.589 256 HG LEU 33 HG LEU 33 -6.595 3.061 5.277 257 HD11 LEU 33 1HD1 LEU 33 -6.463 5.509 7.046 258 HD12 LEU 33 2HD1 LEU 33 -6.488 3.828 7.589 259 HD13 LEU 33 3HD1 LEU 33 -7.889 4.508 6.766 260 HD21 LEU 33 3HD2 LEU 33 -6.396 4.624 3.424 261 HD22 LEU 33 1HD2 LEU 33 -6.415 5.975 4.558 262 HD23 LEU 33 2HD2 LEU 33 -7.846 4.960 4.372 263 H ALA 34 H ALA 34 -2.222 4.484 2.997 264 HA ALA 34 HA ALA 34 -0.212 3.186 4.675 265 HB1 ALA 34 1HB ALA 34 1.014 2.459 2.722 266 HB2 ALA 34 2HB ALA 34 -0.244 3.116 1.675 267 HB3 ALA 34 3HB ALA 34 -0.605 1.764 2.748 268 H HIS 35 H HIS 35 1.885 4.110 4.504 269 HA HIS 35 HA HIS 35 1.672 6.975 3.850 270 HB2 HIS 35 2HB HIS 35 2.025 6.138 6.299 271 HB3 HIS 35 1HB HIS 35 3.677 5.840 5.764 272 HD1 HIS 35 1HD HIS 35 5.098 8.019 5.064 273 HD2 HIS 35 2HD HIS 35 1.375 8.759 6.759 274 HE1 HIS 35 1HE HIS 35 5.122 10.422 5.727 275 HE2 HIS 35 2HE HIS 35 2.694 10.870 6.268 276 H VAL 36 H VAL 36 3.350 7.930 2.783 277 HA VAL 36 HA VAL 36 5.079 6.188 1.315 278 HB VAL 36 HB VAL 36 5.892 8.223 0.173 279 HG11 VAL 36 1HG1 VAL 36 3.785 8.724 -0.996 280 HG12 VAL 36 2HG1 VAL 36 2.915 7.870 0.286 281 HG13 VAL 36 3HG1 VAL 36 4.044 6.997 -0.746 282 HG21 VAL 36 3HG2 VAL 36 3.868 9.638 1.901 283 HG22 VAL 36 1HG2 VAL 36 4.740 10.363 0.551 284 HG23 VAL 36 2HG2 VAL 36 5.620 9.830 1.985 285 H SER 37 H SER 37 7.297 6.317 1.205 286 HA SER 37 HA SER 37 8.573 6.262 3.679 287 HB2 SER 37 2HB SER 37 10.588 5.851 2.430 288 HB3 SER 37 1HB SER 37 9.262 5.008 1.632 289 HG SER 37 HG SER 37 9.634 6.118 -0.063 290 H GLY 38 H GLY 38 10.471 7.490 4.256 291 HA2 GLY 38 2HA GLY 38 10.038 10.173 4.610 292 HA3 GLY 38 1HA GLY 38 11.583 9.370 4.791 293 H LYS 39 H LYS 39 11.236 8.682 1.687 294 HA LYS 39 HA LYS 39 12.798 10.980 0.975 295 HB2 LYS 39 2HB LYS 39 12.725 8.346 0.070 296 HB3 LYS 39 1HB LYS 39 12.055 9.270 -1.267 297 HG2 LYS 39 2HG LYS 39 14.760 9.643 0.022 298 HG3 LYS 39 1HG LYS 39 14.425 9.042 -1.600 299 HD2 LYS 39 2HD LYS 39 13.520 11.228 -2.230 300 HD3 LYS 39 1HD LYS 39 13.801 11.833 -0.602 301 HE2 LYS 39 2HE LYS 39 16.233 11.344 -0.938 302 HE3 LYS 39 1HE LYS 39 15.862 10.973 -2.620 303 HZ1 LYS 39 3HZ LYS 39 15.461 13.567 -1.242 304 HZ2 LYS 39 1HZ LYS 39 14.950 13.268 -2.822 305 HZ3 LYS 39 2HZ LYS 39 16.592 13.239 -2.448 306 H ILE 40 H ILE 40 9.557 9.784 0.402 307 HA ILE 40 HA ILE 40 9.003 11.803 -1.567 308 HB ILE 40 HB ILE 40 7.176 9.751 -0.238 309 HG12 ILE 40 2HG1 ILE 40 8.141 9.946 -3.069 310 HG13 ILE 40 1HG1 ILE 40 8.963 8.960 -1.850 311 HG21 ILE 40 1HG2 ILE 40 5.846 11.727 -0.917 312 HG22 ILE 40 2HG2 ILE 40 5.481 10.336 -1.937 313 HG23 ILE 40 3HG2 ILE 40 6.525 11.621 -2.541 314 HD11 ILE 40 3HD1 ILE 40 7.531 7.609 -3.285 315 HD12 ILE 40 1HD1 ILE 40 6.143 8.615 -2.879 316 HD13 ILE 40 2HD1 ILE 40 6.901 7.611 -1.640 317 H ARG 41 H ARG 41 9.006 11.611 1.786 318 HA ARG 41 HA ARG 41 7.180 13.780 2.266 319 HB2 ARG 41 2HB ARG 41 9.602 13.038 3.923 320 HB3 ARG 41 1HB ARG 41 8.282 14.067 4.438 321 HG2 ARG 41 2HG ARG 41 6.767 12.122 4.288 322 HG3 ARG 41 1HG ARG 41 8.160 11.114 3.882 323 HD2 ARG 41 2HD ARG 41 7.724 12.675 6.432 324 HD3 ARG 41 1HD ARG 41 7.739 10.922 6.249 325 HE ARG 41 HE ARG 41 10.167 12.076 5.359 326 HH11 ARG 41 1HH1 ARG 41 8.469 11.201 8.349 327 HH12 ARG 41 2HH1 ARG 41 9.865 11.021 9.294 328 HH21 ARG 41 1HH2 ARG 41 12.146 11.841 6.667 329 HH22 ARG 41 2HH2 ARG 41 12.029 11.403 8.298 330 H MET 42 H MET 42 10.603 13.430 1.616 331 HA MET 42 HA MET 42 11.352 16.197 1.859 332 HB2 MET 42 2HB MET 42 12.970 14.352 2.150 333 HB3 MET 42 1HB MET 42 12.744 13.897 0.468 334 HG2 MET 42 2HG MET 42 13.558 16.208 -0.139 335 HG3 MET 42 1HG MET 42 14.027 16.391 1.549 336 HE1 MET 42 3HE MET 42 16.534 16.850 1.020 337 HE2 MET 42 1HE MET 42 16.140 16.818 -0.699 338 HE3 MET 42 2HE MET 42 17.506 15.883 -0.091 339 H ASN 43 H ASN 43 10.704 13.961 -0.783 340 HA ASN 43 HA ASN 43 10.361 16.238 -2.590 341 HB2 ASN 43 2HB ASN 43 11.415 13.495 -3.255 342 HB3 ASN 43 1HB ASN 43 11.031 14.768 -4.410 343 HD21 ASN 43 1HD2 ASN 43 12.173 16.889 -2.733 344 HD22 ASN 43 2HD2 ASN 43 13.882 16.746 -2.859 345 H TYR 44 H TYR 44 8.267 16.328 -2.280 346 HA TYR 44 HA TYR 44 6.671 14.023 -2.082 347 HB2 TYR 44 2HB TYR 44 6.172 15.962 -0.818 348 HB3 TYR 44 1HB TYR 44 6.008 16.919 -2.283 349 HD1 TYR 44 2HD TYR 44 4.547 13.668 -1.056 350 HD2 TYR 44 1HD TYR 44 3.808 17.517 -2.716 351 HE1 TYR 44 2HE TYR 44 2.135 13.165 -1.146 352 HE2 TYR 44 1HE TYR 44 1.411 17.022 -2.811 353 HH TYR 44 HH TYR 44 0.017 14.302 -1.270 354 H ILE 45 H ILE 45 6.939 12.899 -3.894 355 HA ILE 45 HA ILE 45 6.052 14.022 -6.339 356 HB ILE 45 HB ILE 45 6.286 11.738 -7.326 357 HG12 ILE 45 2HG1 ILE 45 7.354 11.001 -4.591 358 HG13 ILE 45 1HG1 ILE 45 5.831 10.431 -5.266 359 HG21 ILE 45 1HG2 ILE 45 8.120 13.302 -7.438 360 HG22 ILE 45 2HG2 ILE 45 8.745 11.671 -7.200 361 HG23 ILE 45 3HG2 ILE 45 8.686 12.799 -5.846 362 HD11 ILE 45 3HD1 ILE 45 7.554 8.731 -5.442 363 HD12 ILE 45 1HD1 ILE 45 8.584 9.843 -6.343 364 HD13 ILE 45 2HD1 ILE 45 7.066 9.285 -7.046 365 H ARG 46 H ARG 46 4.051 14.062 -7.027 366 HA ARG 46 HA ARG 46 2.046 13.048 -5.229 367 HB2 ARG 46 2HB ARG 46 1.703 14.669 -7.751 368 HB3 ARG 46 1HB ARG 46 0.437 14.288 -6.593 369 HG2 ARG 46 2HG ARG 46 1.745 15.506 -4.864 370 HG3 ARG 46 1HG ARG 46 2.865 15.998 -6.132 371 HD2 ARG 46 2HD ARG 46 1.007 17.074 -7.325 372 HD3 ARG 46 1HD ARG 46 -0.085 16.615 -6.020 373 HE ARG 46 HE ARG 46 2.167 18.481 -5.809 374 HH11 ARG 46 1HH1 ARG 46 -0.895 17.250 -4.512 375 HH12 ARG 46 2HH1 ARG 46 -1.176 18.540 -3.453 376 HH21 ARG 46 1HH2 ARG 46 1.809 20.310 -4.325 377 HH22 ARG 46 2HH2 ARG 46 0.423 20.350 -3.346 378 H ILE 47 H ILE 47 1.373 11.101 -5.401 379 HA ILE 47 HA ILE 47 1.427 9.740 -7.951 380 HB ILE 47 HB ILE 47 0.560 8.727 -5.221 381 HG12 ILE 47 2HG1 ILE 47 2.948 9.325 -5.195 382 HG13 ILE 47 1HG1 ILE 47 2.746 7.583 -5.118 383 HG21 ILE 47 1HG2 ILE 47 -0.398 7.524 -7.096 384 HG22 ILE 47 2HG2 ILE 47 0.746 6.504 -6.209 385 HG23 ILE 47 3HG2 ILE 47 1.209 7.235 -7.755 386 HD11 ILE 47 3HD1 ILE 47 3.296 7.434 -7.512 387 HD12 ILE 47 1HD1 ILE 47 4.591 8.178 -6.573 388 HD13 ILE 47 2HD1 ILE 47 3.527 9.183 -7.552 389 H LEU 48 H LEU 48 -0.341 9.493 -9.148 390 HA LEU 48 HA LEU 48 -2.745 10.698 -8.121 391 HB2 LEU 48 2HB LEU 48 -1.743 10.376 -10.907 392 HB3 LEU 48 1HB LEU 48 -3.460 10.578 -10.621 393 HG LEU 48 HG LEU 48 -2.884 12.609 -9.316 394 HD11 LEU 48 1HD1 LEU 48 -0.221 12.335 -10.712 395 HD12 LEU 48 2HD1 LEU 48 -0.514 12.285 -8.975 396 HD13 LEU 48 3HD1 LEU 48 -0.775 13.782 -9.869 397 HD21 LEU 48 3HD2 LEU 48 -2.340 12.606 -12.280 398 HD22 LEU 48 1HD2 LEU 48 -2.707 14.043 -11.327 399 HD23 LEU 48 2HD2 LEU 48 -3.908 12.762 -11.488 400 HA PRO 49 HA PRO 49 -5.223 7.121 -7.576 401 HB2 PRO 49 2HB PRO 49 -7.095 8.819 -9.194 402 HB3 PRO 49 1HB PRO 49 -7.426 7.898 -7.708 403 HG2 PRO 49 2HG PRO 49 -7.102 10.489 -7.543 404 HG3 PRO 49 1HG PRO 49 -6.351 9.433 -6.329 405 HD2 PRO 49 2HD PRO 49 -5.084 10.917 -8.551 406 HD3 PRO 49 1HD PRO 49 -4.442 10.467 -6.956 407 H GLY 50 H GLY 50 -5.130 5.347 -8.721 408 HA2 GLY 50 2HA GLY 50 -5.682 4.025 -10.656 409 HA3 GLY 50 1HA GLY 50 -5.331 5.431 -11.658 410 H ASP 51 H ASP 51 -2.939 5.817 -9.682 411 HA ASP 51 HA ASP 51 -1.056 4.333 -11.309 412 HB2 ASP 51 2HB ASP 51 -0.875 6.801 -10.174 413 HB3 ASP 51 1HB ASP 51 -0.136 5.774 -8.936 414 H LYS 52 H LYS 52 0.685 3.174 -10.173 415 HA LYS 52 HA LYS 52 -0.492 1.716 -7.925 416 HB2 LYS 52 2HB LYS 52 1.082 0.460 -10.160 417 HB3 LYS 52 1HB LYS 52 0.698 -0.352 -8.649 418 HG2 LYS 52 2HG LYS 52 -1.747 0.127 -9.184 419 HG3 LYS 52 1HG LYS 52 -1.196 0.574 -10.796 420 HD2 LYS 52 2HD LYS 52 -1.966 -1.747 -10.746 421 HD3 LYS 52 1HD LYS 52 -0.233 -1.678 -11.073 422 HE2 LYS 52 2HE LYS 52 0.275 -2.251 -8.779 423 HE3 LYS 52 1HE LYS 52 -1.427 -2.143 -8.337 424 HZ1 LYS 52 3HZ LYS 52 -0.319 -4.127 -10.251 425 HZ2 LYS 52 1HZ LYS 52 -1.890 -4.081 -9.573 426 HZ3 LYS 52 2HZ LYS 52 -0.512 -4.388 -8.620 427 H VAL 53 H VAL 53 0.683 1.113 -6.227 428 HA VAL 53 HA VAL 53 3.518 1.822 -6.212 429 HB VAL 53 HB VAL 53 3.289 2.762 -3.910 430 HG11 VAL 53 1HG1 VAL 53 3.497 4.281 -5.811 431 HG12 VAL 53 2HG1 VAL 53 2.421 4.975 -4.599 432 HG13 VAL 53 3HG1 VAL 53 1.752 4.239 -6.057 433 HG21 VAL 53 3HG2 VAL 53 1.154 1.796 -3.274 434 HG22 VAL 53 1HG2 VAL 53 0.334 2.717 -4.537 435 HG23 VAL 53 2HG2 VAL 53 1.060 3.555 -3.168 436 H THR 54 H THR 54 4.736 0.804 -4.494 437 HA THR 54 HA THR 54 3.628 -1.807 -3.809 438 HB THR 54 HB THR 54 6.484 -0.897 -3.634 439 HG1 THR 54 1HG THR 54 5.333 -2.320 -5.837 440 HG21 THR 54 3HG2 THR 54 6.959 -3.311 -3.862 441 HG22 THR 54 1HG2 THR 54 5.229 -3.639 -3.946 442 HG23 THR 54 2HG2 THR 54 5.931 -2.988 -2.467 443 H VAL 55 H VAL 55 3.137 -2.223 -1.808 444 HA VAL 55 HA VAL 55 3.960 -0.354 0.288 445 HB VAL 55 HB VAL 55 1.556 -0.189 -0.279 446 HG11 VAL 55 1HG1 VAL 55 1.345 -3.062 0.612 447 HG12 VAL 55 2HG1 VAL 55 1.061 -2.446 -1.013 448 HG13 VAL 55 3HG1 VAL 55 -0.014 -1.996 0.307 449 HG21 VAL 55 3HG2 VAL 55 0.662 -0.443 2.008 450 HG22 VAL 55 1HG2 VAL 55 2.232 0.362 1.963 451 HG23 VAL 55 2HG2 VAL 55 2.127 -1.328 2.441 452 H GLU 56 H GLU 56 4.942 -1.159 1.980 453 HA GLU 56 HA GLU 56 5.275 -4.041 2.343 454 HB2 GLU 56 2HB GLU 56 6.412 -1.636 3.773 455 HB3 GLU 56 1HB GLU 56 6.923 -3.297 4.014 456 HG2 GLU 56 2HG GLU 56 8.022 -3.389 1.995 457 HG3 GLU 56 1HG GLU 56 7.067 -2.071 1.308 458 H MET 57 H MET 57 3.947 -5.041 3.802 459 HA MET 57 HA MET 57 2.761 -3.376 5.913 460 HB2 MET 57 2HB MET 57 1.048 -5.566 5.050 461 HB3 MET 57 1HB MET 57 0.662 -3.928 5.479 462 HG2 MET 57 2HG MET 57 1.539 -3.221 3.205 463 HG3 MET 57 1HG MET 57 1.554 -4.921 2.798 464 HE1 MET 57 3HE MET 57 -1.087 -3.100 5.087 465 HE2 MET 57 1HE MET 57 -2.264 -2.601 3.886 466 HE3 MET 57 2HE MET 57 -0.641 -1.908 3.872 467 H SER 58 H SER 58 2.140 -4.492 7.737 468 HA SER 58 HA SER 58 3.874 -6.668 8.417 469 HB2 SER 58 2HB SER 58 1.670 -5.361 10.030 470 HB3 SER 58 1HB SER 58 3.013 -6.319 10.656 471 HG SER 58 HG SER 58 3.106 -3.837 10.581 472 HA PRO 59 HA PRO 59 0.878 -9.904 7.359 473 HB2 PRO 59 2HB PRO 59 2.044 -11.417 9.627 474 HB3 PRO 59 1HB PRO 59 1.962 -11.863 7.911 475 HG2 PRO 59 2HG PRO 59 4.261 -11.174 9.002 476 HG3 PRO 59 1HG PRO 59 3.843 -10.686 7.349 477 HD2 PRO 59 2HD PRO 59 3.827 -9.053 9.844 478 HD3 PRO 59 1HD PRO 59 4.320 -8.616 8.193 479 H TYR 60 H TYR 60 1.214 -8.586 10.488 480 HA TYR 60 HA TYR 60 -1.256 -9.809 11.478 481 HB2 TYR 60 2HB TYR 60 0.797 -9.822 12.905 482 HB3 TYR 60 1HB TYR 60 0.790 -8.069 12.895 483 HD1 TYR 60 2HD TYR 60 -1.313 -10.990 13.896 484 HD2 TYR 60 1HD TYR 60 -0.281 -6.929 14.641 485 HE1 TYR 60 2HE TYR 60 -2.703 -11.013 15.927 486 HE2 TYR 60 1HE TYR 60 -1.666 -6.942 16.672 487 HH TYR 60 HH TYR 60 -2.880 -9.799 18.050 488 H ASP 61 H ASP 61 -0.649 -7.355 9.501 489 HA ASP 61 HA ASP 61 -2.656 -5.604 10.757 490 HB2 ASP 61 2HB ASP 61 -0.309 -4.582 10.834 491 HB3 ASP 61 1HB ASP 61 -0.328 -4.566 9.087 492 H LEU 62 H LEU 62 -0.951 -5.558 7.701 493 HA LEU 62 HA LEU 62 -1.521 -5.418 5.542 494 HB2 LEU 62 2HB LEU 62 -2.268 -7.802 6.240 495 HB3 LEU 62 1HB LEU 62 -3.895 -7.169 6.083 496 HG LEU 62 HG LEU 62 -3.207 -6.494 3.683 497 HD11 LEU 62 1HD1 LEU 62 -0.981 -8.395 4.289 498 HD12 LEU 62 2HD1 LEU 62 -0.843 -6.677 3.906 499 HD13 LEU 62 3HD1 LEU 62 -1.434 -7.808 2.691 500 HD21 LEU 62 3HD2 LEU 62 -3.381 -9.423 4.415 501 HD22 LEU 62 1HD2 LEU 62 -3.695 -8.734 2.822 502 HD23 LEU 62 2HD2 LEU 62 -4.752 -8.339 4.177 503 H THR 63 H THR 63 -2.975 -3.552 7.514 504 HA THR 63 HA THR 63 -4.751 -2.647 5.436 505 HB THR 63 HB THR 63 -6.230 -3.512 7.093 506 HG1 THR 63 1HG THR 63 -6.145 -0.799 6.669 507 HG21 THR 63 3HG2 THR 63 -4.794 -3.473 9.056 508 HG22 THR 63 1HG2 THR 63 -6.328 -2.678 9.406 509 HG23 THR 63 2HG2 THR 63 -4.880 -1.714 9.108 510 H ARG 64 H ARG 64 -2.243 -1.917 7.550 511 HA ARG 64 HA ARG 64 -2.059 0.824 6.526 512 HB2 ARG 64 2HB ARG 64 -1.329 -0.383 9.169 513 HB3 ARG 64 1HB ARG 64 -0.421 0.986 8.601 514 HG2 ARG 64 2HG ARG 64 -2.048 1.834 10.096 515 HG3 ARG 64 1HG ARG 64 -2.678 2.206 8.495 516 HD2 ARG 64 2HD ARG 64 -4.426 1.367 9.974 517 HD3 ARG 64 1HD ARG 64 -4.148 0.264 8.625 518 HE ARG 64 HE ARG 64 -2.695 -1.002 10.293 519 HH11 ARG 64 1HH1 ARG 64 -5.613 0.736 11.285 520 HH12 ARG 64 2HH1 ARG 64 -5.899 -0.265 12.641 521 HH21 ARG 64 1HH2 ARG 64 -3.024 -2.264 11.983 522 HH22 ARG 64 2HH2 ARG 64 -4.327 -2.128 13.099 523 H GLY 65 H GLY 65 0.033 1.367 5.746 524 HA2 GLY 65 2HA GLY 65 2.140 -0.582 5.962 525 HA3 GLY 65 1HA GLY 65 1.423 -0.491 4.363 526 H ARG 66 H ARG 66 3.827 0.015 4.115 527 HA ARG 66 HA ARG 66 4.097 2.930 4.031 528 HB2 ARG 66 2HB ARG 66 5.329 1.909 5.987 529 HB3 ARG 66 1HB ARG 66 6.276 0.980 4.849 530 HG2 ARG 66 2HG ARG 66 6.261 3.982 4.770 531 HG3 ARG 66 1HG ARG 66 7.289 3.106 5.892 532 HD2 ARG 66 2HD ARG 66 7.311 2.872 2.889 533 HD3 ARG 66 1HD ARG 66 8.496 3.729 3.875 534 HE ARG 66 HE ARG 66 8.359 0.909 3.344 535 HH11 ARG 66 1HH1 ARG 66 9.512 3.214 5.787 536 HH12 ARG 66 2HH1 ARG 66 10.747 2.173 6.359 537 HH21 ARG 66 1HH2 ARG 66 9.977 -0.469 4.113 538 HH22 ARG 66 2HH2 ARG 66 11.029 -0.031 5.355 539 H ILE 67 H ILE 67 4.772 3.641 2.082 540 HA ILE 67 HA ILE 67 5.351 1.647 0.020 541 HB ILE 67 HB ILE 67 4.367 4.486 -0.150 542 HG12 ILE 67 2HG1 ILE 67 2.705 3.375 -1.729 543 HG13 ILE 67 1HG1 ILE 67 3.399 1.854 -1.169 544 HG21 ILE 67 1HG2 ILE 67 5.454 2.950 -2.508 545 HG22 ILE 67 2HG2 ILE 67 6.125 4.424 -1.814 546 HG23 ILE 67 3HG2 ILE 67 4.548 4.461 -2.601 547 HD11 ILE 67 3HD1 ILE 67 2.724 2.385 1.091 548 HD12 ILE 67 1HD1 ILE 67 1.348 2.389 -0.012 549 HD13 ILE 67 2HD1 ILE 67 2.047 3.916 0.533 550 H THR 68 H THR 68 7.281 1.279 -0.635 551 HA THR 68 HA THR 68 9.263 3.449 -0.516 552 HB THR 68 HB THR 68 10.845 1.412 -0.912 553 HG1 THR 68 1HG THR 68 9.061 -0.055 0.600 554 HG21 THR 68 3HG2 THR 68 10.776 2.823 1.107 555 HG22 THR 68 1HG2 THR 68 10.975 1.106 1.528 556 HG23 THR 68 2HG2 THR 68 9.385 1.871 1.649 557 H TYR 69 H TYR 69 7.569 1.303 -2.650 558 HA TYR 69 HA TYR 69 9.166 2.392 -4.840 559 HB2 TYR 69 2HB TYR 69 9.609 -0.056 -4.511 560 HB3 TYR 69 1HB TYR 69 7.891 -0.337 -4.802 561 HD1 TYR 69 2HD TYR 69 10.941 1.054 -6.420 562 HD2 TYR 69 1HD TYR 69 7.082 -0.647 -6.987 563 HE1 TYR 69 2HE TYR 69 11.347 0.945 -8.844 564 HE2 TYR 69 1HE TYR 69 7.477 -0.757 -9.407 565 HH TYR 69 HH TYR 69 8.887 0.368 -11.088 566 H ARG 70 H ARG 70 8.125 3.045 -6.591 567 HA ARG 70 HA ARG 70 5.255 2.898 -6.642 568 HB2 ARG 70 2HB ARG 70 5.164 5.305 -7.378 569 HB3 ARG 70 1HB ARG 70 5.623 5.106 -5.701 570 HG2 ARG 70 2HG ARG 70 7.622 5.584 -7.913 571 HG3 ARG 70 1HG ARG 70 6.862 6.885 -7.000 572 HD2 ARG 70 2HD ARG 70 7.830 6.030 -4.930 573 HD3 ARG 70 1HD ARG 70 8.511 4.652 -5.788 574 HE ARG 70 HE ARG 70 9.313 7.205 -6.793 575 HH11 ARG 70 1HH1 ARG 70 10.128 4.653 -4.389 576 HH12 ARG 70 2HH1 ARG 70 11.748 5.067 -4.295 577 HH21 ARG 70 1HH2 ARG 70 11.617 7.769 -6.627 578 HH22 ARG 70 2HH2 ARG 70 12.635 6.888 -5.595 579 H TYR 71 H TYR 71 4.486 2.641 -8.723 580 HA TYR 71 HA TYR 71 6.516 1.991 -10.675 581 HB2 TYR 71 2HB TYR 71 3.493 1.849 -10.775 582 HB3 TYR 71 1HB TYR 71 4.551 1.354 -12.084 583 HD1 TYR 71 2HD TYR 71 3.264 0.510 -8.772 584 HD2 TYR 71 1HD TYR 71 5.814 -0.723 -11.935 585 HE1 TYR 71 2HE TYR 71 3.324 -1.746 -7.828 586 HE2 TYR 71 1HE TYR 71 5.876 -2.998 -11.001 587 HH TYR 71 HH TYR 71 3.679 -4.038 -8.753 588 H LYS 72 H LYS 72 6.695 3.099 -12.701 589 HA LYS 72 HA LYS 72 5.145 5.442 -12.731 590 HB2 LYS 72 2HB LYS 72 8.014 5.429 -12.759 591 HB3 LYS 72 1HB LYS 72 7.310 6.366 -14.074 592 HG2 LYS 72 2HG LYS 72 6.549 6.689 -11.171 593 HG3 LYS 72 1HG LYS 72 7.731 7.693 -12.007 594 HD2 LYS 72 2HD LYS 72 5.934 9.054 -12.376 595 HD3 LYS 72 1HD LYS 72 5.635 7.954 -13.703 596 HE2 LYS 72 2HE LYS 72 4.322 7.751 -10.965 597 HE3 LYS 72 1HE LYS 72 3.606 8.574 -12.331 598 HZ1 LYS 72 3HZ LYS 72 3.712 6.158 -13.436 599 HZ2 LYS 72 1HZ LYS 72 2.575 6.521 -12.220 600 HZ3 LYS 72 2HZ LYS 72 3.885 5.696 -11.797 Start of MODEL 14 1 H1 MET 1 1HT MET 1 5.948 -5.645 -4.040 2 H2 MET 1 2HT MET 1 7.057 -6.272 -2.899 3 H3 MET 1 3HT MET 1 5.560 -7.064 -3.212 4 HA MET 1 HA MET 1 6.226 -7.498 -5.424 5 HB2 MET 1 2HB MET 1 7.808 -5.453 -5.413 6 HB3 MET 1 1HB MET 1 8.963 -6.493 -4.607 7 HG2 MET 1 2HG MET 1 7.794 -7.019 -7.338 8 HG3 MET 1 1HG MET 1 9.336 -6.233 -7.046 9 HE1 MET 1 2HE MET 1 10.503 -7.959 -8.688 10 HE2 MET 1 3HE MET 1 8.946 -8.735 -8.977 11 HE3 MET 1 1HE MET 1 10.350 -9.710 -8.541 12 H ALA 2 H ALA 2 8.814 -7.700 -2.876 13 HA ALA 2 HA ALA 2 8.183 -10.405 -2.285 14 HB1 ALA 2 1HB ALA 2 10.153 -11.501 -3.194 15 HB2 ALA 2 2HB ALA 2 10.682 -9.985 -3.925 16 HB3 ALA 2 3HB ALA 2 9.207 -10.769 -4.491 17 H LYS 3 H LYS 3 8.714 -10.644 -0.241 18 HA LYS 3 HA LYS 3 11.342 -9.970 0.690 19 HB2 LYS 3 2HB LYS 3 8.844 -8.812 1.908 20 HB3 LYS 3 1HB LYS 3 10.200 -9.226 2.935 21 HG2 LYS 3 2HG LYS 3 11.596 -7.716 1.447 22 HG3 LYS 3 1HG LYS 3 10.064 -7.145 0.777 23 HD2 LYS 3 2HD LYS 3 9.318 -6.395 2.922 24 HD3 LYS 3 1HD LYS 3 10.683 -7.164 3.730 25 HE2 LYS 3 2HE LYS 3 11.263 -4.905 3.654 26 HE3 LYS 3 1HE LYS 3 12.149 -5.620 2.313 27 HZ1 LYS 3 3HZ LYS 3 9.865 -3.806 2.296 28 HZ2 LYS 3 1HZ LYS 3 10.033 -4.869 0.972 29 HZ3 LYS 3 2HZ LYS 3 11.250 -3.776 1.359 30 H GLN 4 H GLN 4 11.548 -10.903 3.027 31 HA GLN 4 HA GLN 4 10.014 -13.420 3.234 32 HB2 GLN 4 2HB GLN 4 13.035 -13.145 3.424 33 HB3 GLN 4 1HB GLN 4 12.129 -14.616 3.732 34 HG2 GLN 4 2HG GLN 4 11.453 -14.715 1.402 35 HG3 GLN 4 1HG GLN 4 12.275 -13.189 1.085 36 HE21 GLN 4 1HE2 GLN 4 14.517 -13.147 1.049 37 HE22 GLN 4 2HE2 GLN 4 15.446 -14.603 0.890 38 H ASP 5 H ASP 5 10.178 -10.775 4.473 39 HA ASP 5 HA ASP 5 10.737 -11.451 7.252 40 HB2 ASP 5 2HB ASP 5 11.864 -9.161 7.432 41 HB3 ASP 5 1HB ASP 5 12.779 -10.402 6.585 42 H VAL 6 H VAL 6 9.852 -8.661 5.469 43 HA VAL 6 HA VAL 6 7.371 -8.381 7.060 44 HB VAL 6 HB VAL 6 8.664 -6.342 5.183 45 HG11 VAL 6 1HG1 VAL 6 6.295 -5.918 5.537 46 HG12 VAL 6 2HG1 VAL 6 7.268 -4.676 6.325 47 HG13 VAL 6 3HG1 VAL 6 6.533 -5.960 7.284 48 HG21 VAL 6 3HG2 VAL 6 9.480 -5.172 7.184 49 HG22 VAL 6 1HG2 VAL 6 10.186 -6.781 7.025 50 HG23 VAL 6 2HG2 VAL 6 8.891 -6.497 8.187 51 H ILE 7 H ILE 7 5.422 -7.757 5.744 52 HA ILE 7 HA ILE 7 5.500 -9.312 3.266 53 HB ILE 7 HB ILE 7 3.134 -8.544 5.006 54 HG12 ILE 7 2HG1 ILE 7 4.500 -10.269 6.069 55 HG13 ILE 7 1HG1 ILE 7 2.972 -10.948 5.522 56 HG21 ILE 7 1HG2 ILE 7 2.456 -8.663 2.676 57 HG22 ILE 7 2HG2 ILE 7 1.788 -10.025 3.578 58 HG23 ILE 7 3HG2 ILE 7 3.183 -10.263 2.525 59 HD11 ILE 7 3HD1 ILE 7 4.801 -12.480 5.103 60 HD12 ILE 7 1HD1 ILE 7 5.644 -11.253 4.157 61 HD13 ILE 7 2HD1 ILE 7 4.117 -11.916 3.580 62 H GLU 8 H GLU 8 5.588 -8.164 1.514 63 HA GLU 8 HA GLU 8 4.338 -5.548 1.543 64 HB2 GLU 8 2HB GLU 8 5.911 -4.984 -0.342 65 HB3 GLU 8 1HB GLU 8 6.642 -5.174 1.240 66 HG2 GLU 8 2HG GLU 8 7.503 -7.324 0.653 67 HG3 GLU 8 1HG GLU 8 6.617 -7.307 -0.873 68 H LEU 9 H LEU 9 2.871 -5.106 0.179 69 HA LEU 9 HA LEU 9 2.146 -7.116 -1.843 70 HB2 LEU 9 2HB LEU 9 0.277 -5.417 -0.182 71 HB3 LEU 9 1HB LEU 9 -0.202 -6.519 -1.445 72 HG LEU 9 HG LEU 9 0.955 -7.261 1.261 73 HD11 LEU 9 1HD1 LEU 9 -1.733 -7.709 0.008 74 HD12 LEU 9 2HD1 LEU 9 -1.358 -6.578 1.309 75 HD13 LEU 9 3HD1 LEU 9 -1.212 -8.317 1.578 76 HD21 LEU 9 3HD2 LEU 9 0.163 -9.026 -1.067 77 HD22 LEU 9 1HD2 LEU 9 0.606 -9.595 0.545 78 HD23 LEU 9 2HD2 LEU 9 1.805 -8.790 -0.467 79 H GLU 10 H GLU 10 0.922 -6.214 -3.612 80 HA GLU 10 HA GLU 10 1.659 -3.455 -4.176 81 HB2 GLU 10 2HB GLU 10 1.299 -5.896 -5.853 82 HB3 GLU 10 1HB GLU 10 0.902 -4.344 -6.564 83 HG2 GLU 10 2HG GLU 10 3.164 -5.074 -7.143 84 HG3 GLU 10 1HG GLU 10 3.153 -3.570 -6.239 85 H GLY 11 H GLY 11 0.135 -2.043 -4.724 86 HA2 GLY 11 2HA GLY 11 -2.604 -2.894 -5.160 87 HA3 GLY 11 1HA GLY 11 -2.344 -1.909 -3.727 88 H THR 12 H THR 12 -3.993 -0.890 -5.413 89 HA THR 12 HA THR 12 -2.445 1.029 -7.023 90 HB THR 12 HB THR 12 -5.308 0.240 -7.394 91 HG1 THR 12 1HG THR 12 -3.321 -1.325 -7.708 92 HG21 THR 12 3HG2 THR 12 -4.580 2.379 -8.391 93 HG22 THR 12 1HG2 THR 12 -4.976 1.204 -9.652 94 HG23 THR 12 2HG2 THR 12 -3.291 1.539 -9.246 95 H VAL 13 H VAL 13 -2.678 3.076 -6.384 96 HA VAL 13 HA VAL 13 -4.578 3.603 -4.254 97 HB VAL 13 HB VAL 13 -2.388 4.375 -3.727 98 HG11 VAL 13 1HG1 VAL 13 -1.242 6.012 -5.046 99 HG12 VAL 13 2HG1 VAL 13 -2.452 5.801 -6.339 100 HG13 VAL 13 3HG1 VAL 13 -1.429 4.439 -5.813 101 HG21 VAL 13 3HG2 VAL 13 -4.068 6.745 -4.515 102 HG22 VAL 13 1HG2 VAL 13 -2.721 6.778 -3.375 103 HG23 VAL 13 2HG2 VAL 13 -4.195 5.856 -3.010 104 H LEU 14 H LEU 14 -6.331 4.675 -4.395 105 HA LEU 14 HA LEU 14 -6.878 5.992 -6.898 106 HB2 LEU 14 2HB LEU 14 -9.273 5.626 -6.557 107 HB3 LEU 14 1HB LEU 14 -8.322 4.157 -6.609 108 HG LEU 14 HG LEU 14 -9.286 5.318 -4.002 109 HD11 LEU 14 1HD1 LEU 14 -11.229 4.919 -5.443 110 HD12 LEU 14 2HD1 LEU 14 -11.144 3.728 -4.145 111 HD13 LEU 14 3HD1 LEU 14 -10.646 3.288 -5.780 112 HD21 LEU 14 3HD2 LEU 14 -9.060 2.947 -3.311 113 HD22 LEU 14 1HD2 LEU 14 -7.521 3.659 -3.800 114 HD23 LEU 14 2HD2 LEU 14 -8.384 2.587 -4.895 115 H ASP 15 H ASP 15 -6.761 6.562 -3.464 116 HA ASP 15 HA ASP 15 -7.882 9.266 -3.950 117 HB2 ASP 15 2HB ASP 15 -8.035 7.669 -1.424 118 HB3 ASP 15 1HB ASP 15 -8.764 9.240 -1.688 119 H THR 16 H THR 16 -6.933 10.916 -2.819 120 HA THR 16 HA THR 16 -4.257 10.454 -1.751 121 HB THR 16 HB THR 16 -4.197 12.995 -1.964 122 HG1 THR 16 1HG THR 16 -6.553 13.091 -2.060 123 HG21 THR 16 3HG2 THR 16 -3.172 11.513 -3.644 124 HG22 THR 16 1HG2 THR 16 -3.870 12.948 -4.397 125 HG23 THR 16 2HG2 THR 16 -4.724 11.407 -4.475 126 H LEU 17 H LEU 17 -3.983 10.593 0.464 127 HA LEU 17 HA LEU 17 -6.181 11.789 1.943 128 HB2 LEU 17 2HB LEU 17 -4.239 9.648 2.752 129 HB3 LEU 17 1HB LEU 17 -5.436 10.333 3.843 130 HG LEU 17 HG LEU 17 -5.869 8.488 1.464 131 HD11 LEU 17 1HD1 LEU 17 -6.864 7.061 3.100 132 HD12 LEU 17 2HD1 LEU 17 -6.500 8.232 4.370 133 HD13 LEU 17 3HD1 LEU 17 -5.188 7.438 3.496 134 HD21 LEU 17 3HD2 LEU 17 -8.271 8.666 1.915 135 HD22 LEU 17 1HD2 LEU 17 -7.622 10.228 1.413 136 HD23 LEU 17 2HD2 LEU 17 -7.967 9.921 3.115 137 HA PRO 18 HA PRO 18 -3.451 14.933 3.494 138 HB2 PRO 18 2HB PRO 18 -4.619 14.445 6.180 139 HB3 PRO 18 1HB PRO 18 -4.591 15.941 5.225 140 HG2 PRO 18 2HG PRO 18 -6.838 14.599 5.502 141 HG3 PRO 18 1HG PRO 18 -6.407 15.358 3.954 142 HD2 PRO 18 2HD PRO 18 -6.262 12.481 4.732 143 HD3 PRO 18 1HD PRO 18 -6.769 13.229 3.201 144 H ASN 19 H ASN 19 -1.575 15.219 4.621 145 HA ASN 19 HA ASN 19 0.296 14.862 5.854 146 HB2 ASN 19 2HB ASN 19 -1.324 14.306 7.728 147 HB3 ASN 19 1HB ASN 19 -1.201 12.618 7.251 148 HD21 ASN 19 1HD2 ASN 19 -0.431 12.084 9.309 149 HD22 ASN 19 2HD2 ASN 19 1.175 12.434 9.828 150 H ALA 20 H ALA 20 -0.245 13.485 3.357 151 HA ALA 20 HA ALA 20 0.900 12.189 1.884 152 HB1 ALA 20 1HB ALA 20 2.920 11.797 4.107 153 HB2 ALA 20 2HB ALA 20 2.934 13.121 2.944 154 HB3 ALA 20 3HB ALA 20 3.180 11.464 2.393 155 H MET 21 H MET 21 -1.161 11.150 3.458 156 HA MET 21 HA MET 21 -0.476 8.300 3.693 157 HB2 MET 21 2HB MET 21 -1.932 9.843 5.472 158 HB3 MET 21 1HB MET 21 -3.139 9.391 4.268 159 HG2 MET 21 2HG MET 21 -3.276 7.977 6.140 160 HG3 MET 21 1HG MET 21 -2.807 7.065 4.697 161 HE1 MET 21 3HE MET 21 -1.042 5.174 7.669 162 HE2 MET 21 1HE MET 21 -2.137 5.017 6.295 163 HE3 MET 21 2HE MET 21 -2.619 5.963 7.703 164 H PHE 22 H PHE 22 -2.041 6.983 2.506 165 HA PHE 22 HA PHE 22 -3.605 8.372 0.461 166 HB2 PHE 22 2HB PHE 22 -1.420 6.370 -0.170 167 HB3 PHE 22 1HB PHE 22 -2.703 6.775 -1.296 168 HD1 PHE 22 2HD PHE 22 0.338 7.976 0.366 169 HD2 PHE 22 1HD PHE 22 -2.701 8.887 -2.464 170 HE1 PHE 22 2HE PHE 22 1.684 9.857 -0.471 171 HE2 PHE 22 1HE PHE 22 -1.347 10.768 -3.307 172 HZ PHE 22 HZ PHE 22 0.838 11.251 -2.307 173 H LYS 23 H LYS 23 -5.298 7.080 -0.421 174 HA LYS 23 HA LYS 23 -5.748 4.710 1.218 175 HB2 LYS 23 2HB LYS 23 -7.650 6.524 0.650 176 HB3 LYS 23 1HB LYS 23 -7.769 5.567 -0.828 177 HG2 LYS 23 2HG LYS 23 -7.805 3.547 0.870 178 HG3 LYS 23 1HG LYS 23 -8.367 4.779 1.984 179 HD2 LYS 23 2HD LYS 23 -10.323 3.785 1.133 180 HD3 LYS 23 1HD LYS 23 -10.166 5.288 0.217 181 HE2 LYS 23 2HE LYS 23 -9.325 4.160 -1.674 182 HE3 LYS 23 1HE LYS 23 -9.071 2.663 -0.786 183 HZ1 LYS 23 3HZ LYS 23 -11.656 3.847 -1.655 184 HZ2 LYS 23 1HZ LYS 23 -11.553 2.560 -0.536 185 HZ3 LYS 23 2HZ LYS 23 -10.969 2.333 -2.068 186 H VAL 24 H VAL 24 -4.881 3.096 0.418 187 HA VAL 24 HA VAL 24 -4.634 2.870 -2.537 188 HB VAL 24 HB VAL 24 -2.943 1.398 -0.503 189 HG11 VAL 24 1HG1 VAL 24 -2.531 1.845 -3.427 190 HG12 VAL 24 2HG1 VAL 24 -3.027 0.347 -2.641 191 HG13 VAL 24 3HG1 VAL 24 -1.421 1.013 -2.338 192 HG21 VAL 24 3HG2 VAL 24 -2.268 4.014 -1.854 193 HG22 VAL 24 1HG2 VAL 24 -1.112 2.994 -0.990 194 HG23 VAL 24 2HG2 VAL 24 -2.466 3.718 -0.134 195 H GLU 25 H GLU 25 -5.497 1.164 -3.494 196 HA GLU 25 HA GLU 25 -6.883 -0.606 -1.672 197 HB2 GLU 25 2HB GLU 25 -8.092 1.048 -3.252 198 HB3 GLU 25 1HB GLU 25 -7.650 -0.087 -4.513 199 HG2 GLU 25 2HG GLU 25 -9.020 -1.756 -3.640 200 HG3 GLU 25 1HG GLU 25 -9.138 -0.966 -2.070 201 H LEU 26 H LEU 26 -5.920 -2.383 -1.538 202 HA LEU 26 HA LEU 26 -3.936 -3.342 -3.292 203 HB2 LEU 26 2HB LEU 26 -5.595 -4.819 -1.262 204 HB3 LEU 26 1HB LEU 26 -4.198 -5.462 -2.106 205 HG LEU 26 HG LEU 26 -4.102 -3.092 -0.243 206 HD11 LEU 26 1HD1 LEU 26 -3.360 -5.975 0.225 207 HD12 LEU 26 2HD1 LEU 26 -4.708 -5.115 0.970 208 HD13 LEU 26 3HD1 LEU 26 -3.049 -4.641 1.332 209 HD21 LEU 26 3HD2 LEU 26 -2.327 -3.078 -1.892 210 HD22 LEU 26 1HD2 LEU 26 -1.959 -4.770 -1.537 211 HD23 LEU 26 2HD2 LEU 26 -1.685 -3.536 -0.314 212 H GLU 27 H GLU 27 -4.028 -4.863 -4.794 213 HA GLU 27 HA GLU 27 -6.462 -5.044 -6.197 214 HB2 GLU 27 2HB GLU 27 -5.084 -6.568 -7.771 215 HB3 GLU 27 1HB GLU 27 -4.698 -4.864 -7.651 216 HG2 GLU 27 2HG GLU 27 -2.906 -5.604 -5.944 217 HG3 GLU 27 1HG GLU 27 -3.119 -7.217 -6.597 218 H ASN 28 H ASN 28 -5.472 -6.680 -3.679 219 HA ASN 28 HA ASN 28 -6.788 -9.223 -4.126 220 HB2 ASN 28 2HB ASN 28 -4.855 -8.697 -2.482 221 HB3 ASN 28 1HB ASN 28 -6.062 -7.930 -1.477 222 HD21 ASN 28 1HD2 ASN 28 -8.105 -10.072 -2.023 223 HD22 ASN 28 2HD2 ASN 28 -7.521 -11.443 -1.144 224 H GLY 29 H GLY 29 -7.820 -6.011 -3.642 225 HA2 GLY 29 2HA GLY 29 -10.077 -5.379 -3.725 226 HA3 GLY 29 1HA GLY 29 -10.523 -6.915 -3.003 227 H HIS 30 H HIS 30 -7.989 -5.686 -1.285 228 HA HIS 30 HA HIS 30 -9.790 -4.732 0.850 229 HB2 HIS 30 2HB HIS 30 -7.641 -6.388 1.033 230 HB3 HIS 30 1HB HIS 30 -6.925 -4.768 1.094 231 HD1 HIS 30 1HD HIS 30 -7.881 -3.100 3.141 232 HD2 HIS 30 2HD HIS 30 -8.386 -7.224 3.580 233 HE1 HIS 30 1HE HIS 30 -8.277 -3.465 5.536 234 HE2 HIS 30 2HE HIS 30 -8.153 -5.936 5.809 235 H GLU 31 H GLU 31 -9.799 -2.553 1.314 236 HA GLU 31 HA GLU 31 -7.819 -0.932 -0.040 237 HB2 GLU 31 2HB GLU 31 -9.145 1.034 0.568 238 HB3 GLU 31 1HB GLU 31 -10.136 -0.131 -0.289 239 HG2 GLU 31 2HG GLU 31 -11.276 -0.736 1.705 240 HG3 GLU 31 1HG GLU 31 -10.110 0.148 2.696 241 H ILE 32 H ILE 32 -6.450 0.349 1.078 242 HA ILE 32 HA ILE 32 -6.293 -0.191 3.936 243 HB ILE 32 HB ILE 32 -3.830 -0.567 3.671 244 HG12 ILE 32 2HG1 ILE 32 -4.501 -0.882 0.769 245 HG13 ILE 32 1HG1 ILE 32 -3.719 0.559 1.425 246 HG21 ILE 32 1HG2 ILE 32 -5.293 -2.509 3.914 247 HG22 ILE 32 2HG2 ILE 32 -4.008 -2.885 2.755 248 HG23 ILE 32 3HG2 ILE 32 -5.621 -2.490 2.189 249 HD11 ILE 32 3HD1 ILE 32 -1.838 -0.838 2.154 250 HD12 ILE 32 1HD1 ILE 32 -2.085 -0.902 0.408 251 HD13 ILE 32 2HD1 ILE 32 -2.621 -2.240 1.427 252 H LEU 33 H LEU 33 -5.129 1.371 5.040 253 HA LEU 33 HA LEU 33 -4.760 3.946 3.610 254 HB2 LEU 33 2HB LEU 33 -4.838 3.332 6.569 255 HB3 LEU 33 1HB LEU 33 -4.914 4.907 5.791 256 HG LEU 33 HG LEU 33 -7.040 2.797 5.520 257 HD11 LEU 33 1HD1 LEU 33 -6.921 3.573 7.839 258 HD12 LEU 33 2HD1 LEU 33 -8.382 4.152 7.039 259 HD13 LEU 33 3HD1 LEU 33 -7.020 5.250 7.286 260 HD21 LEU 33 3HD2 LEU 33 -6.976 4.360 3.672 261 HD22 LEU 33 1HD2 LEU 33 -7.030 5.717 4.796 262 HD23 LEU 33 2HD2 LEU 33 -8.412 4.630 4.660 263 H ALA 34 H ALA 34 -2.761 4.430 3.188 264 HA ALA 34 HA ALA 34 -0.692 3.112 4.772 265 HB1 ALA 34 1HB ALA 34 -0.820 3.083 1.773 266 HB2 ALA 34 2HB ALA 34 -1.155 1.719 2.840 267 HB3 ALA 34 3HB ALA 34 0.468 2.409 2.772 268 H HIS 35 H HIS 35 1.393 4.052 4.555 269 HA HIS 35 HA HIS 35 1.198 6.950 3.944 270 HB2 HIS 35 2HB HIS 35 1.601 5.993 6.381 271 HB3 HIS 35 1HB HIS 35 3.249 5.818 5.769 272 HD1 HIS 35 1HD HIS 35 4.512 8.070 5.089 273 HD2 HIS 35 2HD HIS 35 0.827 8.589 6.934 274 HE1 HIS 35 1HE HIS 35 4.445 10.449 5.794 275 HE2 HIS 35 2HE HIS 35 2.018 10.756 6.366 276 H VAL 36 H VAL 36 2.756 7.806 2.625 277 HA VAL 36 HA VAL 36 4.701 5.998 1.492 278 HB VAL 36 HB VAL 36 5.407 7.889 0.057 279 HG11 VAL 36 1HG1 VAL 36 3.302 8.141 -1.197 280 HG12 VAL 36 2HG1 VAL 36 2.446 7.404 0.157 281 HG13 VAL 36 3HG1 VAL 36 3.648 6.476 -0.738 282 HG21 VAL 36 3HG2 VAL 36 5.011 9.738 1.613 283 HG22 VAL 36 1HG2 VAL 36 3.273 9.456 1.509 284 HG23 VAL 36 2HG2 VAL 36 4.163 10.011 0.089 285 H SER 37 H SER 37 6.936 6.217 1.602 286 HA SER 37 HA SER 37 7.920 6.860 4.154 287 HB2 SER 37 2HB SER 37 10.090 6.272 3.313 288 HB3 SER 37 1HB SER 37 8.928 5.194 2.538 289 HG SER 37 HG SER 37 9.358 6.054 0.665 290 H GLY 38 H GLY 38 9.604 8.425 4.667 291 HA2 GLY 38 2HA GLY 38 9.001 11.054 4.048 292 HA3 GLY 38 1HA GLY 38 10.512 10.508 4.756 293 H LYS 39 H LYS 39 10.912 8.793 2.186 294 HA LYS 39 HA LYS 39 12.510 10.806 0.893 295 HB2 LYS 39 2HB LYS 39 12.004 7.902 0.220 296 HB3 LYS 39 1HB LYS 39 13.044 8.942 -0.736 297 HG2 LYS 39 2HG LYS 39 14.491 9.261 1.246 298 HG3 LYS 39 1HG LYS 39 13.460 8.144 2.145 299 HD2 LYS 39 2HD LYS 39 13.994 6.344 0.627 300 HD3 LYS 39 1HD LYS 39 14.890 7.440 -0.421 301 HE2 LYS 39 2HE LYS 39 16.422 6.117 0.928 302 HE3 LYS 39 1HE LYS 39 16.518 7.814 1.385 303 HZ1 LYS 39 3HZ LYS 39 15.035 5.698 2.850 304 HZ2 LYS 39 1HZ LYS 39 15.118 7.333 3.300 305 HZ3 LYS 39 2HZ LYS 39 16.511 6.374 3.311 306 H ILE 40 H ILE 40 9.508 9.205 0.364 307 HA ILE 40 HA ILE 40 9.214 10.240 -2.295 308 HB ILE 40 HB ILE 40 7.334 8.687 -0.503 309 HG12 ILE 40 2HG1 ILE 40 8.857 7.842 -2.969 310 HG13 ILE 40 1HG1 ILE 40 9.379 7.505 -1.322 311 HG21 ILE 40 1HG2 ILE 40 5.953 8.378 -2.489 312 HG22 ILE 40 2HG2 ILE 40 7.029 9.426 -3.409 313 HG23 ILE 40 3HG2 ILE 40 6.078 10.090 -2.075 314 HD11 ILE 40 3HD1 ILE 40 8.318 5.569 -2.339 315 HD12 ILE 40 1HD1 ILE 40 6.856 6.510 -2.635 316 HD13 ILE 40 2HD1 ILE 40 7.359 6.160 -0.981 317 H ARG 41 H ARG 41 8.112 10.930 0.932 318 HA ARG 41 HA ARG 41 6.155 12.845 0.250 319 HB2 ARG 41 2HB ARG 41 6.274 11.840 2.493 320 HB3 ARG 41 1HB ARG 41 7.804 12.652 2.784 321 HG2 ARG 41 2HG ARG 41 6.707 14.820 2.682 322 HG3 ARG 41 1HG ARG 41 5.171 14.044 2.304 323 HD2 ARG 41 2HD ARG 41 5.221 12.905 4.481 324 HD3 ARG 41 1HD ARG 41 6.753 13.696 4.856 325 HE ARG 41 HE ARG 41 5.281 15.801 4.389 326 HH11 ARG 41 1HH1 ARG 41 4.409 12.946 6.301 327 HH12 ARG 41 2HH1 ARG 41 3.288 13.774 7.300 328 HH21 ARG 41 1HH2 ARG 41 3.759 16.951 5.859 329 HH22 ARG 41 2HH2 ARG 41 2.963 16.059 7.071 330 H MET 42 H MET 42 9.622 13.174 1.010 331 HA MET 42 HA MET 42 9.569 16.024 0.715 332 HB2 MET 42 2HB MET 42 11.892 14.109 0.888 333 HB3 MET 42 1HB MET 42 12.049 15.857 0.854 334 HG2 MET 42 2HG MET 42 10.811 16.021 2.943 335 HG3 MET 42 1HG MET 42 10.601 14.272 2.961 336 HE1 MET 42 3HE MET 42 13.153 14.896 5.882 337 HE2 MET 42 1HE MET 42 11.603 14.183 5.433 338 HE3 MET 42 2HE MET 42 11.808 15.935 5.408 339 H ASN 43 H ASN 43 10.680 13.346 -1.343 340 HA ASN 43 HA ASN 43 11.662 15.245 -3.304 341 HB2 ASN 43 2HB ASN 43 13.036 13.266 -2.711 342 HB3 ASN 43 1HB ASN 43 11.768 12.204 -3.286 343 HD21 ASN 43 1HD2 ASN 43 13.269 11.247 -4.705 344 HD22 ASN 43 2HD2 ASN 43 13.785 12.050 -6.150 345 H TYR 44 H TYR 44 11.180 14.558 -5.694 346 HA TYR 44 HA TYR 44 8.338 14.993 -6.003 347 HB2 TYR 44 2HB TYR 44 10.072 16.334 -7.199 348 HB3 TYR 44 1HB TYR 44 10.523 14.899 -8.099 349 HD1 TYR 44 1HD TYR 44 7.592 17.100 -7.407 350 HD2 TYR 44 2HD TYR 44 9.518 14.509 -10.182 351 HE1 TYR 44 1HE TYR 44 5.931 17.704 -9.117 352 HE2 TYR 44 2HE TYR 44 7.859 15.104 -11.896 353 HH TYR 44 HH TYR 44 5.575 15.979 -12.016 354 H ILE 45 H ILE 45 9.856 12.239 -5.566 355 HA ILE 45 HA ILE 45 8.847 10.630 -7.783 356 HB ILE 45 HB ILE 45 9.740 8.688 -6.484 357 HG12 ILE 45 2HG1 ILE 45 10.699 10.829 -4.555 358 HG13 ILE 45 1HG1 ILE 45 9.445 9.638 -4.233 359 HG21 ILE 45 1HG2 ILE 45 11.118 9.774 -8.151 360 HG22 ILE 45 2HG2 ILE 45 12.113 9.257 -6.791 361 HG23 ILE 45 3HG2 ILE 45 11.669 10.955 -6.962 362 HD11 ILE 45 3HD1 ILE 45 11.096 7.849 -4.405 363 HD12 ILE 45 1HD1 ILE 45 11.556 9.031 -3.181 364 HD13 ILE 45 2HD1 ILE 45 12.351 9.038 -4.756 365 H ARG 46 H ARG 46 6.893 11.965 -6.576 366 HA ARG 46 HA ARG 46 5.623 10.561 -4.438 367 HB2 ARG 46 2HB ARG 46 4.691 12.959 -5.995 368 HB3 ARG 46 1HB ARG 46 3.966 12.351 -4.506 369 HG2 ARG 46 2HG ARG 46 6.042 12.726 -3.314 370 HG3 ARG 46 1HG ARG 46 6.805 13.282 -4.794 371 HD2 ARG 46 2HD ARG 46 5.168 15.148 -4.860 372 HD3 ARG 46 1HD ARG 46 4.554 14.607 -3.294 373 HE ARG 46 HE ARG 46 7.309 14.837 -3.117 374 HH11 ARG 46 1HH1 ARG 46 4.513 16.952 -3.423 375 HH12 ARG 46 2HH1 ARG 46 5.248 18.322 -2.717 376 HH21 ARG 46 1HH2 ARG 46 8.379 16.706 -2.151 377 HH22 ARG 46 2HH2 ARG 46 7.551 18.167 -1.964 378 H ILE 47 H ILE 47 3.641 9.718 -4.334 379 HA ILE 47 HA ILE 47 2.746 8.202 -6.553 380 HB ILE 47 HB ILE 47 2.131 8.333 -3.611 381 HG12 ILE 47 2HG1 ILE 47 2.712 5.863 -3.795 382 HG13 ILE 47 1HG1 ILE 47 3.244 6.247 -5.434 383 HG21 ILE 47 1HG2 ILE 47 -0.015 8.026 -4.625 384 HG22 ILE 47 2HG2 ILE 47 0.516 6.535 -3.836 385 HG23 ILE 47 3HG2 ILE 47 0.620 6.698 -5.595 386 HD11 ILE 47 3HD1 ILE 47 4.888 7.787 -4.506 387 HD12 ILE 47 1HD1 ILE 47 5.097 6.133 -3.913 388 HD13 ILE 47 2HD1 ILE 47 4.334 7.341 -2.885 389 H LEU 48 H LEU 48 0.921 8.525 -7.701 390 HA LEU 48 HA LEU 48 -0.910 10.671 -6.958 391 HB2 LEU 48 2HB LEU 48 0.656 11.246 -8.852 392 HB3 LEU 48 1HB LEU 48 0.061 9.844 -9.710 393 HG LEU 48 HG LEU 48 -2.223 10.907 -9.647 394 HD11 LEU 48 1HD1 LEU 48 -1.817 12.493 -7.825 395 HD12 LEU 48 2HD1 LEU 48 -2.351 13.311 -9.290 396 HD13 LEU 48 3HD1 LEU 48 -0.649 13.346 -8.834 397 HD21 LEU 48 3HD2 LEU 48 -0.019 12.357 -11.113 398 HD22 LEU 48 1HD2 LEU 48 -1.734 12.419 -11.519 399 HD23 LEU 48 2HD2 LEU 48 -0.851 10.900 -11.656 400 HA PRO 49 HA PRO 49 -4.006 7.307 -7.161 401 HB2 PRO 49 2HB PRO 49 -5.320 9.419 -8.855 402 HB3 PRO 49 1HB PRO 49 -6.064 8.344 -7.645 403 HG2 PRO 49 2HG PRO 49 -5.525 10.802 -6.976 404 HG3 PRO 49 1HG PRO 49 -5.167 9.479 -5.843 405 HD2 PRO 49 2HD PRO 49 -3.292 11.127 -7.461 406 HD3 PRO 49 1HD PRO 49 -3.025 10.324 -5.900 407 H GLY 50 H GLY 50 -3.977 5.655 -8.481 408 HA2 GLY 50 2HA GLY 50 -4.186 4.623 -10.651 409 HA3 GLY 50 1HA GLY 50 -3.373 6.026 -11.338 410 H ASP 51 H ASP 51 -1.468 5.960 -8.935 411 HA ASP 51 HA ASP 51 0.620 4.377 -10.047 412 HB2 ASP 51 2HB ASP 51 0.282 5.775 -7.410 413 HB3 ASP 51 1HB ASP 51 1.545 4.572 -7.596 414 H LYS 52 H LYS 52 1.342 2.403 -9.552 415 HA LYS 52 HA LYS 52 -0.136 0.915 -7.526 416 HB2 LYS 52 2HB LYS 52 1.474 -0.100 -9.861 417 HB3 LYS 52 1HB LYS 52 1.197 -1.116 -8.458 418 HG2 LYS 52 2HG LYS 52 -1.308 -0.569 -8.873 419 HG3 LYS 52 1HG LYS 52 -0.755 -0.128 -10.492 420 HD2 LYS 52 2HD LYS 52 0.190 -2.320 -10.828 421 HD3 LYS 52 1HD LYS 52 -0.148 -2.766 -9.158 422 HE2 LYS 52 2HE LYS 52 -2.594 -2.407 -9.692 423 HE3 LYS 52 1HE LYS 52 -2.116 -2.299 -11.388 424 HZ1 LYS 52 3HZ LYS 52 -1.108 -4.598 -11.101 425 HZ2 LYS 52 1HZ LYS 52 -2.781 -4.598 -10.805 426 HZ3 LYS 52 2HZ LYS 52 -1.730 -4.581 -9.548 427 H VAL 53 H VAL 53 0.809 0.313 -5.758 428 HA VAL 53 HA VAL 53 3.602 1.172 -5.502 429 HB VAL 53 HB VAL 53 3.126 1.908 -3.239 430 HG11 VAL 53 1HG1 VAL 53 1.808 3.929 -3.816 431 HG12 VAL 53 2HG1 VAL 53 1.357 3.169 -5.343 432 HG13 VAL 53 3HG1 VAL 53 3.045 3.561 -5.017 433 HG21 VAL 53 3HG2 VAL 53 1.223 0.490 -2.719 434 HG22 VAL 53 1HG2 VAL 53 0.242 1.327 -3.923 435 HG23 VAL 53 2HG2 VAL 53 0.786 2.183 -2.480 436 H THR 54 H THR 54 4.848 0.177 -3.942 437 HA THR 54 HA THR 54 4.015 -2.480 -3.157 438 HB THR 54 HB THR 54 6.663 -1.031 -2.877 439 HG1 THR 54 1HG THR 54 5.831 -3.010 -4.740 440 HG21 THR 54 3HG2 THR 54 7.595 -3.278 -2.495 441 HG22 THR 54 1HG2 THR 54 5.974 -3.965 -2.604 442 HG23 THR 54 2HG2 THR 54 6.382 -2.875 -1.279 443 H VAL 55 H VAL 55 3.048 -2.565 -1.304 444 HA VAL 55 HA VAL 55 3.639 -0.544 0.709 445 HB VAL 55 HB VAL 55 1.310 -0.466 -0.113 446 HG11 VAL 55 1HG1 VAL 55 0.923 -2.790 -0.697 447 HG12 VAL 55 2HG1 VAL 55 -0.297 -2.226 0.448 448 HG13 VAL 55 3HG1 VAL 55 1.010 -3.252 1.005 449 HG21 VAL 55 3HG2 VAL 55 1.789 0.249 2.144 450 HG22 VAL 55 1HG2 VAL 55 1.558 -1.398 2.723 451 HG23 VAL 55 2HG2 VAL 55 0.193 -0.496 2.055 452 H GLU 56 H GLU 56 4.585 -1.164 2.434 453 HA GLU 56 HA GLU 56 4.942 -4.002 2.985 454 HB2 GLU 56 2HB GLU 56 6.172 -1.560 4.260 455 HB3 GLU 56 1HB GLU 56 6.662 -3.229 4.522 456 HG2 GLU 56 2HG GLU 56 7.412 -3.424 2.255 457 HG3 GLU 56 1HG GLU 56 6.789 -1.817 1.875 458 H MET 57 H MET 57 3.826 -4.945 4.521 459 HA MET 57 HA MET 57 2.670 -3.406 6.664 460 HB2 MET 57 2HB MET 57 0.471 -4.716 6.218 461 HB3 MET 57 1HB MET 57 0.808 -3.230 5.317 462 HG2 MET 57 2HG MET 57 1.378 -4.561 3.400 463 HG3 MET 57 1HG MET 57 1.253 -6.040 4.356 464 HE1 MET 57 3HE MET 57 -1.241 -3.164 5.093 465 HE2 MET 57 1HE MET 57 -2.445 -3.340 3.833 466 HE3 MET 57 2HE MET 57 -0.818 -2.785 3.423 467 H SER 58 H SER 58 1.936 -4.630 8.390 468 HA SER 58 HA SER 58 3.442 -6.983 8.867 469 HB2 SER 58 2HB SER 58 1.165 -5.762 10.450 470 HB3 SER 58 1HB SER 58 2.390 -6.881 11.053 471 HG SER 58 HG SER 58 2.580 -4.362 11.235 472 HA PRO 59 HA PRO 59 0.423 -9.838 7.146 473 HB2 PRO 59 2HB PRO 59 1.026 -12.052 8.666 474 HB3 PRO 59 1HB PRO 59 2.000 -11.536 7.276 475 HG2 PRO 59 2HG PRO 59 2.497 -11.105 10.171 476 HG3 PRO 59 1HG PRO 59 3.644 -11.481 8.870 477 HD2 PRO 59 2HD PRO 59 3.376 -8.999 9.861 478 HD3 PRO 59 1HD PRO 59 3.769 -9.298 8.153 479 H TYR 60 H TYR 60 0.549 -8.914 10.377 480 HA TYR 60 HA TYR 60 -1.981 -10.221 11.074 481 HB2 TYR 60 2HB TYR 60 0.007 -10.424 12.606 482 HB3 TYR 60 1HB TYR 60 -0.044 -8.687 12.840 483 HD1 TYR 60 1HD TYR 60 -2.115 -11.761 13.270 484 HD2 TYR 60 2HD TYR 60 -1.281 -7.816 14.637 485 HE1 TYR 60 1HE TYR 60 -3.619 -12.110 15.183 486 HE2 TYR 60 2HE TYR 60 -2.790 -8.155 16.550 487 HH TYR 60 HH TYR 60 -3.963 -11.210 17.444 488 H ASP 61 H ASP 61 -1.150 -7.535 9.473 489 HA ASP 61 HA ASP 61 -3.153 -5.860 10.834 490 HB2 ASP 61 2HB ASP 61 -0.783 -4.870 10.794 491 HB3 ASP 61 1HB ASP 61 -0.908 -4.801 9.054 492 H LEU 62 H LEU 62 -1.653 -5.652 7.669 493 HA LEU 62 HA LEU 62 -2.376 -5.543 5.566 494 HB2 LEU 62 2HB LEU 62 -3.115 -7.953 6.523 495 HB3 LEU 62 1HB LEU 62 -4.696 -7.344 6.097 496 HG LEU 62 HG LEU 62 -2.446 -7.450 4.069 497 HD11 LEU 62 1HD1 LEU 62 -2.756 -9.701 4.970 498 HD12 LEU 62 2HD1 LEU 62 -3.377 -9.593 3.323 499 HD13 LEU 62 3HD1 LEU 62 -4.493 -9.585 4.688 500 HD21 LEU 62 3HD2 LEU 62 -4.277 -7.526 2.454 501 HD22 LEU 62 1HD2 LEU 62 -4.402 -6.094 3.474 502 HD23 LEU 62 2HD2 LEU 62 -5.454 -7.480 3.768 503 H THR 63 H THR 63 -3.658 -3.733 7.645 504 HA THR 63 HA THR 63 -5.600 -2.766 5.740 505 HB THR 63 HB THR 63 -6.977 -3.579 7.480 506 HG1 THR 63 1HG THR 63 -6.801 -0.891 7.098 507 HG21 THR 63 3HG2 THR 63 -6.809 -2.881 9.833 508 HG22 THR 63 1HG2 THR 63 -5.339 -1.985 9.454 509 HG23 THR 63 2HG2 THR 63 -5.364 -3.739 9.297 510 H ARG 64 H ARG 64 -2.916 -2.106 7.690 511 HA ARG 64 HA ARG 64 -2.765 0.637 6.676 512 HB2 ARG 64 2HB ARG 64 -1.916 -0.601 9.257 513 HB3 ARG 64 1HB ARG 64 -1.028 0.765 8.656 514 HG2 ARG 64 2HG ARG 64 -2.567 1.655 10.191 515 HG3 ARG 64 1HG ARG 64 -3.302 1.946 8.612 516 HD2 ARG 64 2HD ARG 64 -4.933 1.135 10.259 517 HD3 ARG 64 1HD ARG 64 -4.748 0.031 8.895 518 HE ARG 64 HE ARG 64 -3.179 -1.232 10.447 519 HH11 ARG 64 1HH1 ARG 64 -5.990 0.533 11.666 520 HH12 ARG 64 2HH1 ARG 64 -6.173 -0.459 13.046 521 HH21 ARG 64 1HH2 ARG 64 -3.382 -2.493 12.168 522 HH22 ARG 64 2HH2 ARG 64 -4.590 -2.333 13.382 523 H GLY 65 H GLY 65 -0.656 1.209 5.936 524 HA2 GLY 65 2HA GLY 65 1.422 -0.781 6.017 525 HA3 GLY 65 1HA GLY 65 0.688 -0.572 4.439 526 H ARG 66 H ARG 66 3.176 -0.075 4.367 527 HA ARG 66 HA ARG 66 3.392 2.863 4.320 528 HB2 ARG 66 2HB ARG 66 4.710 1.841 6.165 529 HB3 ARG 66 1HB ARG 66 5.587 0.904 4.963 530 HG2 ARG 66 2HG ARG 66 5.915 3.356 3.950 531 HG3 ARG 66 1HG ARG 66 5.802 3.750 5.666 532 HD2 ARG 66 2HD ARG 66 7.669 1.824 4.349 533 HD3 ARG 66 1HD ARG 66 8.029 3.416 5.043 534 HE ARG 66 HE ARG 66 7.293 2.402 7.217 535 HH11 ARG 66 1HH1 ARG 66 8.672 0.184 4.694 536 HH12 ARG 66 2HH1 ARG 66 9.406 -0.812 5.777 537 HH21 ARG 66 1HH2 ARG 66 8.358 0.895 8.751 538 HH22 ARG 66 2HH2 ARG 66 9.233 -0.430 8.135 539 H ILE 67 H ILE 67 4.145 3.637 2.387 540 HA ILE 67 HA ILE 67 4.885 1.698 0.345 541 HB ILE 67 HB ILE 67 3.949 4.551 0.143 542 HG12 ILE 67 2HG1 ILE 67 2.352 3.451 -1.513 543 HG13 ILE 67 1HG1 ILE 67 3.001 1.935 -0.875 544 HG21 ILE 67 1HG2 ILE 67 5.092 2.902 -2.113 545 HG22 ILE 67 2HG2 ILE 67 5.814 4.342 -1.404 546 HG23 ILE 67 3HG2 ILE 67 4.293 4.469 -2.298 547 HD11 ILE 67 3HD1 ILE 67 2.210 2.514 1.323 548 HD12 ILE 67 1HD1 ILE 67 0.885 2.515 0.157 549 HD13 ILE 67 2HD1 ILE 67 1.579 4.042 0.709 550 H THR 68 H THR 68 6.856 1.354 -0.020 551 HA THR 68 HA THR 68 8.749 3.560 0.297 552 HB THR 68 HB THR 68 10.445 1.581 0.195 553 HG1 THR 68 1HG THR 68 8.803 -0.038 1.528 554 HG21 THR 68 3HG2 THR 68 10.043 3.049 2.112 555 HG22 THR 68 1HG2 THR 68 10.213 1.362 2.645 556 HG23 THR 68 2HG2 THR 68 8.605 2.093 2.489 557 H TYR 69 H TYR 69 7.334 1.422 -1.983 558 HA TYR 69 HA TYR 69 8.986 2.642 -4.053 559 HB2 TYR 69 2HB TYR 69 9.884 0.373 -3.576 560 HB3 TYR 69 1HB TYR 69 8.274 -0.274 -3.886 561 HD1 TYR 69 1HD TYR 69 10.981 1.681 -5.553 562 HD2 TYR 69 2HD TYR 69 7.709 -0.994 -6.030 563 HE1 TYR 69 1HE TYR 69 11.513 1.459 -7.946 564 HE2 TYR 69 2HE TYR 69 8.233 -1.220 -8.417 565 HH TYR 69 HH TYR 69 9.382 -0.006 -10.176 566 H ARG 70 H ARG 70 7.887 3.100 -5.872 567 HA ARG 70 HA ARG 70 5.204 2.045 -6.165 568 HB2 ARG 70 2HB ARG 70 4.197 4.123 -6.751 569 HB3 ARG 70 1HB ARG 70 5.102 4.452 -5.289 570 HG2 ARG 70 2HG ARG 70 5.919 5.176 -8.102 571 HG3 ARG 70 1HG ARG 70 5.262 6.276 -6.896 572 HD2 ARG 70 2HD ARG 70 7.223 5.949 -5.505 573 HD3 ARG 70 1HD ARG 70 7.850 4.753 -6.642 574 HE ARG 70 HE ARG 70 7.798 7.599 -6.874 575 HH11 ARG 70 1HH1 ARG 70 8.196 4.510 -8.637 576 HH12 ARG 70 2HH1 ARG 70 9.167 5.121 -9.872 577 HH21 ARG 70 1HH2 ARG 70 9.203 8.479 -8.637 578 HH22 ARG 70 2HH2 ARG 70 9.770 7.449 -9.872 579 H TYR 71 H TYR 71 4.660 1.547 -8.224 580 HA TYR 71 HA TYR 71 6.884 1.398 -10.079 581 HB2 TYR 71 2HB TYR 71 4.009 0.404 -10.278 582 HB3 TYR 71 1HB TYR 71 5.290 0.040 -11.428 583 HD1 TYR 71 1HD TYR 71 4.338 -0.397 -7.849 584 HD2 TYR 71 2HD TYR 71 6.636 -1.874 -11.109 585 HE1 TYR 71 1HE TYR 71 4.940 -2.356 -6.519 586 HE2 TYR 71 2HE TYR 71 7.250 -3.853 -9.773 587 HH TYR 71 HH TYR 71 5.781 -4.466 -6.640 588 H LYS 72 H LYS 72 7.112 2.876 -11.727 589 HA LYS 72 HA LYS 72 4.902 4.723 -12.116 590 HB2 LYS 72 2HB LYS 72 7.212 5.435 -10.909 591 HB3 LYS 72 1HB LYS 72 7.717 5.580 -12.585 592 HG2 LYS 72 2HG LYS 72 6.990 7.727 -11.902 593 HG3 LYS 72 1HG LYS 72 5.713 7.076 -12.937 594 HD2 LYS 72 2HD LYS 72 4.476 6.359 -10.914 595 HD3 LYS 72 1HD LYS 72 5.735 7.076 -9.915 596 HE2 LYS 72 2HE LYS 72 5.228 9.272 -10.940 597 HE3 LYS 72 1HE LYS 72 3.906 8.516 -11.829 598 HZ1 LYS 72 3HZ LYS 72 2.954 7.863 -9.632 599 HZ2 LYS 72 1HZ LYS 72 3.001 9.523 -9.836 600 HZ3 LYS 72 2HZ LYS 72 4.114 8.740 -8.858 Start of MODEL 15 1 H1 MET 1 1HT MET 1 10.203 -9.683 0.135 2 H2 MET 1 2HT MET 1 11.227 -10.412 1.266 3 H3 MET 1 3HT MET 1 9.843 -11.188 0.749 4 HA MET 1 HA MET 1 10.572 -11.470 -1.428 5 HB2 MET 1 2HB MET 1 13.107 -10.094 -0.512 6 HB3 MET 1 1HB MET 1 12.967 -10.991 -2.011 7 HG2 MET 1 2HG MET 1 11.261 -9.417 -2.786 8 HG3 MET 1 1HG MET 1 11.414 -8.521 -1.274 9 HE1 MET 1 2HE MET 1 13.105 -6.134 -3.889 10 HE2 MET 1 3HE MET 1 11.842 -6.295 -2.669 11 HE3 MET 1 1HE MET 1 11.723 -7.190 -4.184 12 H ALA 2 H ALA 2 13.484 -11.712 0.655 13 HA ALA 2 HA ALA 2 13.678 -14.508 0.108 14 HB1 ALA 2 1HB ALA 2 15.674 -13.114 0.451 15 HB2 ALA 2 2HB ALA 2 15.625 -14.454 1.597 16 HB3 ALA 2 3HB ALA 2 15.184 -12.828 2.120 17 H LYS 3 H LYS 3 12.706 -12.585 2.883 18 HA LYS 3 HA LYS 3 11.444 -14.955 4.002 19 HB2 LYS 3 2HB LYS 3 12.988 -12.794 5.469 20 HB3 LYS 3 1HB LYS 3 11.892 -13.908 6.265 21 HG2 LYS 3 2HG LYS 3 13.275 -15.784 5.620 22 HG3 LYS 3 1HG LYS 3 14.339 -14.718 4.713 23 HD2 LYS 3 2HD LYS 3 15.300 -15.362 6.901 24 HD3 LYS 3 1HD LYS 3 15.060 -13.628 6.768 25 HE2 LYS 3 2HE LYS 3 12.940 -15.316 8.056 26 HE3 LYS 3 1HE LYS 3 14.393 -14.921 8.966 27 HZ1 LYS 3 3HZ LYS 3 13.871 -12.562 8.720 28 HZ2 LYS 3 1HZ LYS 3 12.499 -13.284 9.308 29 HZ3 LYS 3 2HZ LYS 3 12.549 -12.865 7.757 30 H GLN 4 H GLN 4 9.352 -14.587 4.578 31 HA GLN 4 HA GLN 4 8.397 -11.936 3.933 32 HB2 GLN 4 2HB GLN 4 6.881 -14.534 4.149 33 HB3 GLN 4 1HB GLN 4 6.110 -12.983 3.889 34 HG2 GLN 4 2HG GLN 4 7.944 -14.486 2.043 35 HG3 GLN 4 1HG GLN 4 6.265 -14.019 1.774 36 HE21 GLN 4 1HE2 GLN 4 5.815 -11.801 1.303 37 HE22 GLN 4 2HE2 GLN 4 7.057 -10.723 0.777 38 H ASP 5 H ASP 5 9.410 -11.353 5.980 39 HA ASP 5 HA ASP 5 7.886 -11.858 8.400 40 HB2 ASP 5 2HB ASP 5 9.931 -9.671 7.862 41 HB3 ASP 5 1HB ASP 5 9.399 -10.236 9.438 42 H VAL 6 H VAL 6 8.167 -9.727 5.851 43 HA VAL 6 HA VAL 6 5.785 -8.204 6.561 44 HB VAL 6 HB VAL 6 8.282 -7.075 5.202 45 HG11 VAL 6 1HG1 VAL 6 6.255 -6.015 4.415 46 HG12 VAL 6 2HG1 VAL 6 7.178 -4.891 5.418 47 HG13 VAL 6 3HG1 VAL 6 5.752 -5.693 6.074 48 HG21 VAL 6 3HG2 VAL 6 7.270 -6.516 7.992 49 HG22 VAL 6 1HG2 VAL 6 8.605 -5.678 7.200 50 HG23 VAL 6 2HG2 VAL 6 8.739 -7.398 7.574 51 H ILE 7 H ILE 7 4.510 -7.875 4.656 52 HA ILE 7 HA ILE 7 5.338 -9.543 2.387 53 HB ILE 7 HB ILE 7 2.563 -8.533 3.111 54 HG12 ILE 7 2HG1 ILE 7 3.339 -10.124 4.811 55 HG13 ILE 7 1HG1 ILE 7 2.035 -10.807 3.853 56 HG21 ILE 7 1HG2 ILE 7 1.763 -10.180 1.482 57 HG22 ILE 7 2HG2 ILE 7 3.430 -10.611 1.103 58 HG23 ILE 7 3HG2 ILE 7 2.836 -8.993 0.737 59 HD11 ILE 7 3HD1 ILE 7 4.958 -11.391 3.512 60 HD12 ILE 7 1HD1 ILE 7 3.650 -12.118 2.584 61 HD13 ILE 7 2HD1 ILE 7 3.786 -12.441 4.315 62 H GLU 8 H GLU 8 5.627 -8.551 0.450 63 HA GLU 8 HA GLU 8 5.104 -5.701 0.310 64 HB2 GLU 8 2HB GLU 8 6.584 -7.433 -1.679 65 HB3 GLU 8 1HB GLU 8 6.630 -5.683 -1.543 66 HG2 GLU 8 2HG GLU 8 8.604 -6.114 -0.533 67 HG3 GLU 8 1HG GLU 8 7.573 -6.338 0.876 68 H LEU 9 H LEU 9 3.301 -5.120 -0.614 69 HA LEU 9 HA LEU 9 2.047 -6.805 -2.674 70 HB2 LEU 9 2HB LEU 9 0.700 -5.131 -0.540 71 HB3 LEU 9 1HB LEU 9 -0.130 -5.951 -1.841 72 HG LEU 9 HG LEU 9 1.302 -7.270 0.488 73 HD11 LEU 9 1HD1 LEU 9 -0.899 -8.050 1.083 74 HD12 LEU 9 2HD1 LEU 9 -1.598 -7.144 -0.259 75 HD13 LEU 9 3HD1 LEU 9 -0.818 -6.288 1.071 76 HD21 LEU 9 3HD2 LEU 9 1.587 -8.598 -1.562 77 HD22 LEU 9 1HD2 LEU 9 -0.150 -8.507 -1.860 78 HD23 LEU 9 2HD2 LEU 9 0.461 -9.375 -0.453 79 H GLU 10 H GLU 10 0.655 -5.474 -4.126 80 HA GLU 10 HA GLU 10 1.644 -2.742 -4.201 81 HB2 GLU 10 2HB GLU 10 1.445 -4.509 -6.638 82 HB3 GLU 10 1HB GLU 10 1.711 -2.775 -6.679 83 HG2 GLU 10 2HG GLU 10 3.757 -3.341 -5.153 84 HG3 GLU 10 1HG GLU 10 3.563 -4.950 -5.846 85 H GLY 11 H GLY 11 0.200 -1.316 -4.299 86 HA2 GLY 11 2HA GLY 11 -2.499 -2.215 -5.025 87 HA3 GLY 11 1HA GLY 11 -2.214 -1.162 -3.652 88 H THR 12 H THR 12 -3.948 -0.373 -5.340 89 HA THR 12 HA THR 12 -2.634 1.642 -7.031 90 HB THR 12 HB THR 12 -5.461 0.606 -7.207 91 HG1 THR 12 1HG THR 12 -3.223 -0.616 -7.820 92 HG21 THR 12 3HG2 THR 12 -3.750 2.148 -9.178 93 HG22 THR 12 1HG2 THR 12 -5.028 2.835 -8.180 94 HG23 THR 12 2HG2 THR 12 -5.427 1.655 -9.432 95 H VAL 13 H VAL 13 -2.946 3.660 -6.381 96 HA VAL 13 HA VAL 13 -4.615 4.012 -4.045 97 HB VAL 13 HB VAL 13 -2.464 4.959 -3.659 98 HG11 VAL 13 1HG1 VAL 13 -1.671 5.048 -5.837 99 HG12 VAL 13 2HG1 VAL 13 -1.422 6.604 -5.038 100 HG13 VAL 13 3HG1 VAL 13 -2.717 6.420 -6.246 101 HG21 VAL 13 3HG2 VAL 13 -4.374 6.345 -2.889 102 HG22 VAL 13 1HG2 VAL 13 -4.251 7.279 -4.364 103 HG23 VAL 13 2HG2 VAL 13 -2.920 7.305 -3.201 104 H LEU 14 H LEU 14 -6.458 4.976 -3.970 105 HA LEU 14 HA LEU 14 -7.383 6.085 -6.496 106 HB2 LEU 14 2HB LEU 14 -8.991 4.886 -4.251 107 HB3 LEU 14 1HB LEU 14 -9.690 5.665 -5.654 108 HG LEU 14 HG LEU 14 -8.076 3.113 -5.616 109 HD11 LEU 14 1HD1 LEU 14 -10.352 2.844 -4.856 110 HD12 LEU 14 2HD1 LEU 14 -10.140 2.100 -6.442 111 HD13 LEU 14 3HD1 LEU 14 -10.954 3.658 -6.300 112 HD21 LEU 14 3HD2 LEU 14 -7.507 4.350 -7.635 113 HD22 LEU 14 1HD2 LEU 14 -9.221 4.613 -7.976 114 HD23 LEU 14 2HD2 LEU 14 -8.546 2.986 -8.029 115 H ASP 15 H ASP 15 -7.009 6.859 -3.111 116 HA ASP 15 HA ASP 15 -8.010 9.539 -3.779 117 HB2 ASP 15 2HB ASP 15 -8.562 8.034 -1.254 118 HB3 ASP 15 1HB ASP 15 -9.054 9.692 -1.536 119 H THR 16 H THR 16 -7.023 11.213 -2.608 120 HA THR 16 HA THR 16 -4.383 10.503 -1.575 121 HB THR 16 HB THR 16 -3.988 12.987 -1.932 122 HG1 THR 16 1HG THR 16 -6.338 13.374 -1.966 123 HG21 THR 16 3HG2 THR 16 -3.758 12.761 -4.370 124 HG22 THR 16 1HG2 THR 16 -4.834 11.365 -4.340 125 HG23 THR 16 2HG2 THR 16 -3.259 11.273 -3.560 126 H LEU 17 H LEU 17 -3.880 10.840 0.569 127 HA LEU 17 HA LEU 17 -5.926 12.158 2.159 128 HB2 LEU 17 2HB LEU 17 -3.952 10.035 2.942 129 HB3 LEU 17 1HB LEU 17 -5.049 10.806 4.070 130 HG LEU 17 HG LEU 17 -5.712 8.847 1.854 131 HD11 LEU 17 1HD1 LEU 17 -4.863 7.864 3.860 132 HD12 LEU 17 2HD1 LEU 17 -6.584 7.522 3.676 133 HD13 LEU 17 3HD1 LEU 17 -6.048 8.746 4.824 134 HD21 LEU 17 3HD2 LEU 17 -8.063 9.093 2.522 135 HD22 LEU 17 1HD2 LEU 17 -7.435 10.606 1.871 136 HD23 LEU 17 2HD2 LEU 17 -7.621 10.407 3.612 137 HA PRO 18 HA PRO 18 -2.863 15.171 3.402 138 HB2 PRO 18 2HB PRO 18 -4.089 15.166 6.085 139 HB3 PRO 18 1HB PRO 18 -4.007 16.486 4.901 140 HG2 PRO 18 2HG PRO 18 -6.311 15.291 5.428 141 HG3 PRO 18 1HG PRO 18 -5.886 15.822 3.786 142 HD2 PRO 18 2HD PRO 18 -5.787 13.072 4.941 143 HD3 PRO 18 1HD PRO 18 -6.378 13.626 3.357 144 H ASN 19 H ASN 19 -1.019 15.393 4.634 145 HA ASN 19 HA ASN 19 0.721 14.950 5.990 146 HB2 ASN 19 2HB ASN 19 -1.247 13.180 7.464 147 HB3 ASN 19 1HB ASN 19 0.408 13.426 8.002 148 HD21 ASN 19 1HD2 ASN 19 -0.258 14.381 9.930 149 HD22 ASN 19 2HD2 ASN 19 -0.946 15.970 9.965 150 H ALA 20 H ALA 20 0.407 13.567 3.579 151 HA ALA 20 HA ALA 20 1.607 12.127 2.319 152 HB1 ALA 20 1HB ALA 20 3.178 11.558 4.843 153 HB2 ALA 20 2HB ALA 20 3.531 12.837 3.683 154 HB3 ALA 20 3HB ALA 20 3.671 11.147 3.200 155 H MET 21 H MET 21 -0.756 11.334 3.877 156 HA MET 21 HA MET 21 -0.385 8.435 4.044 157 HB2 MET 21 2HB MET 21 -2.047 10.293 5.494 158 HB3 MET 21 1HB MET 21 -3.066 9.276 4.488 159 HG2 MET 21 2HG MET 21 -2.955 8.289 6.606 160 HG3 MET 21 1HG MET 21 -2.066 7.287 5.472 161 HE1 MET 21 3HE MET 21 -0.861 10.662 7.191 162 HE2 MET 21 1HE MET 21 -0.084 10.026 8.638 163 HE3 MET 21 2HE MET 21 -1.827 9.855 8.426 164 H PHE 22 H PHE 22 -1.745 7.171 2.704 165 HA PHE 22 HA PHE 22 -3.297 8.620 0.738 166 HB2 PHE 22 2HB PHE 22 -1.132 6.615 0.032 167 HB3 PHE 22 1HB PHE 22 -2.434 7.039 -1.069 168 HD1 PHE 22 2HD PHE 22 -2.559 9.268 -2.047 169 HD2 PHE 22 1HD PHE 22 0.666 8.139 0.478 170 HE1 PHE 22 2HE PHE 22 -1.269 11.216 -2.826 171 HE2 PHE 22 1HE PHE 22 1.958 10.087 -0.295 172 HZ PHE 22 HZ PHE 22 0.987 11.625 -1.949 173 H LYS 23 H LYS 23 -5.023 7.525 -0.053 174 HA LYS 23 HA LYS 23 -5.719 5.180 1.496 175 HB2 LYS 23 2HB LYS 23 -7.247 7.085 1.682 176 HB3 LYS 23 1HB LYS 23 -7.343 7.207 -0.054 177 HG2 LYS 23 2HG LYS 23 -8.372 4.793 1.429 178 HG3 LYS 23 1HG LYS 23 -9.351 6.244 1.224 179 HD2 LYS 23 2HD LYS 23 -8.909 6.037 -1.256 180 HD3 LYS 23 1HD LYS 23 -8.210 4.463 -0.906 181 HE2 LYS 23 2HE LYS 23 -10.294 3.643 -0.121 182 HE3 LYS 23 1HE LYS 23 -11.011 5.259 -0.170 183 HZ1 LYS 23 3HZ LYS 23 -10.580 5.308 -2.529 184 HZ2 LYS 23 1HZ LYS 23 -11.648 4.030 -2.141 185 HZ3 LYS 23 2HZ LYS 23 -10.031 3.678 -2.453 186 H VAL 24 H VAL 24 -5.213 3.461 0.553 187 HA VAL 24 HA VAL 24 -5.130 3.343 -2.410 188 HB VAL 24 HB VAL 24 -3.206 1.923 -0.547 189 HG11 VAL 24 1HG1 VAL 24 -1.786 1.633 -2.457 190 HG12 VAL 24 2HG1 VAL 24 -3.015 2.381 -3.476 191 HG13 VAL 24 3HG1 VAL 24 -3.359 0.862 -2.653 192 HG21 VAL 24 3HG2 VAL 24 -2.813 4.603 -1.846 193 HG22 VAL 24 1HG2 VAL 24 -1.492 3.607 -1.209 194 HG23 VAL 24 2HG2 VAL 24 -2.760 4.192 -0.143 195 H GLU 25 H GLU 25 -5.783 1.419 -3.337 196 HA GLU 25 HA GLU 25 -6.840 -0.550 -1.473 197 HB2 GLU 25 2HB GLU 25 -7.770 0.328 -4.161 198 HB3 GLU 25 1HB GLU 25 -7.966 -1.367 -3.743 199 HG2 GLU 25 2HG GLU 25 -9.989 -0.232 -3.246 200 HG3 GLU 25 1HG GLU 25 -9.190 -0.710 -1.756 201 H LEU 26 H LEU 26 -6.097 -2.447 -1.483 202 HA LEU 26 HA LEU 26 -3.640 -3.144 -2.779 203 HB2 LEU 26 2HB LEU 26 -5.650 -4.811 -1.284 204 HB3 LEU 26 1HB LEU 26 -4.148 -5.449 -1.908 205 HG LEU 26 HG LEU 26 -4.361 -3.269 0.160 206 HD11 LEU 26 1HD1 LEU 26 -5.171 -5.428 1.002 207 HD12 LEU 26 2HD1 LEU 26 -3.622 -5.002 1.727 208 HD13 LEU 26 3HD1 LEU 26 -3.691 -6.204 0.439 209 HD21 LEU 26 3HD2 LEU 26 -2.016 -4.838 -0.909 210 HD22 LEU 26 1HD2 LEU 26 -1.962 -3.734 0.464 211 HD23 LEU 26 2HD2 LEU 26 -2.320 -3.115 -1.144 212 H GLU 27 H GLU 27 -3.433 -5.296 -4.000 213 HA GLU 27 HA GLU 27 -5.041 -5.228 -6.348 214 HB2 GLU 27 2HB GLU 27 -3.590 -7.110 -7.043 215 HB3 GLU 27 1HB GLU 27 -2.623 -5.784 -6.427 216 HG2 GLU 27 2HG GLU 27 -3.399 -8.147 -4.775 217 HG3 GLU 27 1HG GLU 27 -1.890 -8.126 -5.716 218 H ASN 28 H ASN 28 -4.937 -6.700 -3.347 219 HA ASN 28 HA ASN 28 -6.680 -8.917 -3.731 220 HB2 ASN 28 2HB ASN 28 -5.150 -8.916 -1.881 221 HB3 ASN 28 1HB ASN 28 -5.745 -7.373 -1.304 222 HD21 ASN 28 1HD2 ASN 28 -6.387 -10.794 -1.525 223 HD22 ASN 28 2HD2 ASN 28 -7.602 -10.822 -0.290 224 H GLY 29 H GLY 29 -7.281 -5.586 -3.823 225 HA2 GLY 29 2HA GLY 29 -9.319 -4.547 -4.206 226 HA3 GLY 29 1HA GLY 29 -10.130 -6.049 -3.794 227 H HIS 30 H HIS 30 -7.877 -5.081 -1.477 228 HA HIS 30 HA HIS 30 -10.041 -4.439 0.368 229 HB2 HIS 30 2HB HIS 30 -8.082 -6.175 0.754 230 HB3 HIS 30 1HB HIS 30 -7.185 -4.683 1.035 231 HD1 HIS 30 1HD HIS 30 -6.769 -4.499 3.499 232 HD2 HIS 30 2HD HIS 30 -10.710 -5.476 2.585 233 HE1 HIS 30 1HE HIS 30 -8.013 -4.315 5.629 234 HE2 HIS 30 2HE HIS 30 -10.322 -4.183 4.723 235 H GLU 31 H GLU 31 -9.804 -2.592 1.718 236 HA GLU 31 HA GLU 31 -8.502 -0.374 0.456 237 HB2 GLU 31 2HB GLU 31 -9.909 0.931 1.921 238 HB3 GLU 31 1HB GLU 31 -10.902 -0.320 1.203 239 HG2 GLU 31 2HG GLU 31 -9.716 -0.444 3.956 240 HG3 GLU 31 1HG GLU 31 -11.383 0.096 3.654 241 H ILE 32 H ILE 32 -6.787 0.597 1.370 242 HA ILE 32 HA ILE 32 -5.973 -0.203 4.054 243 HB ILE 32 HB ILE 32 -3.595 -0.391 3.308 244 HG12 ILE 32 2HG1 ILE 32 -4.740 -0.562 0.552 245 HG13 ILE 32 1HG1 ILE 32 -4.006 0.912 1.201 246 HG21 ILE 32 1HG2 ILE 32 -3.830 -2.620 2.181 247 HG22 ILE 32 2HG2 ILE 32 -5.563 -2.312 2.090 248 HG23 ILE 32 3HG2 ILE 32 -4.768 -2.435 3.657 249 HD11 ILE 32 3HD1 ILE 32 -2.632 -1.738 0.793 250 HD12 ILE 32 1HD1 ILE 32 -1.878 -0.286 1.447 251 HD13 ILE 32 2HD1 ILE 32 -2.444 -0.311 -0.226 252 H LEU 33 H LEU 33 -4.862 1.329 5.122 253 HA LEU 33 HA LEU 33 -4.706 3.965 3.792 254 HB2 LEU 33 2HB LEU 33 -4.574 3.244 6.728 255 HB3 LEU 33 1HB LEU 33 -4.523 4.867 6.067 256 HG LEU 33 HG LEU 33 -6.866 2.995 5.830 257 HD11 LEU 33 1HD1 LEU 33 -6.447 5.383 7.643 258 HD12 LEU 33 2HD1 LEU 33 -6.520 3.696 8.154 259 HD13 LEU 33 3HD1 LEU 33 -7.951 4.475 7.481 260 HD21 LEU 33 3HD2 LEU 33 -6.562 5.914 5.138 261 HD22 LEU 33 1HD2 LEU 33 -8.080 5.015 5.103 262 HD23 LEU 33 2HD2 LEU 33 -6.776 4.579 4.002 263 H ALA 34 H ALA 34 -2.842 4.577 3.204 264 HA ALA 34 HA ALA 34 -0.553 3.064 4.212 265 HB1 ALA 34 1HB ALA 34 -1.026 4.112 1.445 266 HB2 ALA 34 2HB ALA 34 -1.238 2.441 1.969 267 HB3 ALA 34 3HB ALA 34 0.364 3.181 2.004 268 H HIS 35 H HIS 35 1.470 4.150 4.075 269 HA HIS 35 HA HIS 35 1.320 7.075 3.930 270 HB2 HIS 35 2HB HIS 35 1.233 6.422 6.326 271 HB3 HIS 35 1HB HIS 35 2.708 5.491 6.115 272 HD1 HIS 35 1HD HIS 35 1.487 9.076 6.256 273 HD2 HIS 35 2HD HIS 35 5.048 6.940 6.340 274 HE1 HIS 35 1HE HIS 35 3.241 10.726 6.931 275 HE2 HIS 35 2HE HIS 35 5.389 9.475 6.587 276 H VAL 36 H VAL 36 2.971 7.928 2.804 277 HA VAL 36 HA VAL 36 4.823 6.082 1.606 278 HB VAL 36 HB VAL 36 5.630 8.031 0.279 279 HG11 VAL 36 1HG1 VAL 36 2.671 7.494 0.245 280 HG12 VAL 36 2HG1 VAL 36 3.919 6.617 -0.642 281 HG13 VAL 36 3HG1 VAL 36 3.557 8.292 -1.048 282 HG21 VAL 36 3HG2 VAL 36 4.347 10.125 0.326 283 HG22 VAL 36 1HG2 VAL 36 5.141 9.817 1.870 284 HG23 VAL 36 2HG2 VAL 36 3.411 9.517 1.691 285 H SER 37 H SER 37 7.040 6.216 1.620 286 HA SER 37 HA SER 37 8.162 6.642 4.153 287 HB2 SER 37 2HB SER 37 10.243 5.987 3.141 288 HB3 SER 37 1HB SER 37 8.967 5.021 2.409 289 HG SER 37 HG SER 37 9.458 5.822 0.557 290 H GLY 38 H GLY 38 9.972 8.087 4.645 291 HA2 GLY 38 2HA GLY 38 9.446 10.770 4.096 292 HA3 GLY 38 1HA GLY 38 10.913 10.141 4.829 293 H LYS 39 H LYS 39 11.157 8.422 2.198 294 HA LYS 39 HA LYS 39 13.039 10.230 1.009 295 HB2 LYS 39 2HB LYS 39 13.118 7.615 1.206 296 HB3 LYS 39 1HB LYS 39 12.056 7.623 -0.185 297 HG2 LYS 39 2HG LYS 39 14.838 8.810 -0.111 298 HG3 LYS 39 1HG LYS 39 14.434 7.225 -0.753 299 HD2 LYS 39 2HD LYS 39 13.055 8.268 -2.476 300 HD3 LYS 39 1HD LYS 39 13.391 9.858 -1.793 301 HE2 LYS 39 2HE LYS 39 15.795 9.499 -2.240 302 HE3 LYS 39 1HE LYS 39 15.393 7.964 -3.011 303 HZ1 LYS 39 3HZ LYS 39 14.393 10.614 -3.834 304 HZ2 LYS 39 1HZ LYS 39 14.065 9.159 -4.627 305 HZ3 LYS 39 2HZ LYS 39 15.648 9.791 -4.615 306 H ILE 40 H ILE 40 9.893 8.928 0.305 307 HA ILE 40 HA ILE 40 9.574 10.244 -2.188 308 HB ILE 40 HB ILE 40 7.826 8.571 -0.410 309 HG12 ILE 40 2HG1 ILE 40 8.562 8.367 -3.313 310 HG13 ILE 40 1HG1 ILE 40 9.438 7.569 -2.008 311 HG21 ILE 40 1HG2 ILE 40 5.887 8.811 -1.803 312 HG22 ILE 40 2HG2 ILE 40 6.707 9.929 -2.859 313 HG23 ILE 40 3HG2 ILE 40 6.337 10.404 -1.194 314 HD11 ILE 40 3HD1 ILE 40 6.575 7.074 -2.825 315 HD12 ILE 40 1HD1 ILE 40 7.407 6.282 -1.488 316 HD13 ILE 40 2HD1 ILE 40 7.952 6.017 -3.145 317 H ARG 41 H ARG 41 8.546 10.846 1.109 318 HA ARG 41 HA ARG 41 6.824 13.029 0.620 319 HB2 ARG 41 2HB ARG 41 7.233 11.637 2.792 320 HB3 ARG 41 1HB ARG 41 8.508 12.794 3.117 321 HG2 ARG 41 2HG ARG 41 5.584 13.487 2.755 322 HG3 ARG 41 1HG ARG 41 6.382 13.282 4.306 323 HD2 ARG 41 2HD ARG 41 7.138 15.350 2.240 324 HD3 ARG 41 1HD ARG 41 6.049 15.658 3.587 325 HE ARG 41 HE ARG 41 8.078 14.915 4.965 326 HH11 ARG 41 1HH1 ARG 41 8.448 16.570 1.865 327 HH12 ARG 41 2HH1 ARG 41 9.674 17.632 2.339 328 HH21 ARG 41 1HH2 ARG 41 9.859 16.376 5.700 329 HH22 ARG 41 2HH2 ARG 41 10.518 17.500 4.611 330 H MET 42 H MET 42 10.336 12.854 1.141 331 HA MET 42 HA MET 42 10.680 15.690 1.288 332 HB2 MET 42 2HB MET 42 12.719 13.484 1.079 333 HB3 MET 42 1HB MET 42 13.133 15.186 1.214 334 HG2 MET 42 2HG MET 42 11.986 15.281 3.380 335 HG3 MET 42 1HG MET 42 11.600 13.567 3.238 336 HE1 MET 42 3HE MET 42 14.337 13.591 6.048 337 HE2 MET 42 1HE MET 42 12.722 13.040 5.602 338 HE3 MET 42 2HE MET 42 13.046 14.763 5.786 339 H ASN 43 H ASN 43 10.384 13.591 -1.370 340 HA ASN 43 HA ASN 43 11.895 15.515 -2.975 341 HB2 ASN 43 2HB ASN 43 11.362 12.606 -3.551 342 HB3 ASN 43 1HB ASN 43 12.007 13.717 -4.753 343 HD21 ASN 43 1HD2 ASN 43 13.561 15.049 -2.447 344 HD22 ASN 43 2HD2 ASN 43 14.900 14.006 -2.201 345 H TYR 44 H TYR 44 11.149 15.646 -5.295 346 HA TYR 44 HA TYR 44 8.407 16.476 -5.228 347 HB2 TYR 44 2HB TYR 44 10.373 16.470 -7.537 348 HB3 TYR 44 1HB TYR 44 8.795 17.243 -7.543 349 HD1 TYR 44 1HD TYR 44 8.408 19.271 -6.173 350 HD2 TYR 44 2HD TYR 44 12.261 17.491 -6.478 351 HE1 TYR 44 1HE TYR 44 9.427 21.340 -5.319 352 HE2 TYR 44 2HE TYR 44 13.289 19.552 -5.621 353 HH TYR 44 HH TYR 44 11.488 22.052 -4.196 354 H ILE 45 H ILE 45 7.474 14.500 -4.851 355 HA ILE 45 HA ILE 45 7.607 12.527 -6.941 356 HB ILE 45 HB ILE 45 6.166 11.152 -5.424 357 HG12 ILE 45 2HG1 ILE 45 6.317 11.892 -2.930 358 HG13 ILE 45 1HG1 ILE 45 6.665 13.490 -3.543 359 HG21 ILE 45 1HG2 ILE 45 8.840 12.114 -4.452 360 HG22 ILE 45 2HG2 ILE 45 8.542 10.846 -5.633 361 HG23 ILE 45 3HG2 ILE 45 8.091 10.602 -3.953 362 HD11 ILE 45 3HD1 ILE 45 4.468 13.535 -4.634 363 HD12 ILE 45 1HD1 ILE 45 4.344 13.285 -2.892 364 HD13 ILE 45 2HD1 ILE 45 4.131 11.927 -3.994 365 H ARG 46 H ARG 46 5.663 11.596 -7.823 366 HA ARG 46 HA ARG 46 3.436 13.450 -7.872 367 HB2 ARG 46 2HB ARG 46 4.943 12.353 -10.219 368 HB3 ARG 46 1HB ARG 46 3.239 12.759 -10.373 369 HG2 ARG 46 2HG ARG 46 3.677 14.945 -10.515 370 HG3 ARG 46 1HG ARG 46 4.752 14.893 -9.121 371 HD2 ARG 46 2HD ARG 46 5.572 13.948 -11.859 372 HD3 ARG 46 1HD ARG 46 5.794 15.608 -11.312 373 HE ARG 46 HE ARG 46 6.947 14.274 -9.343 374 HH11 ARG 46 1HH1 ARG 46 7.329 13.827 -12.828 375 HH12 ARG 46 2HH1 ARG 46 8.976 13.404 -12.765 376 HH21 ARG 46 1HH2 ARG 46 9.198 13.731 -9.212 377 HH22 ARG 46 2HH2 ARG 46 10.094 13.334 -10.607 378 H ILE 47 H ILE 47 2.095 12.276 -6.681 379 HA ILE 47 HA ILE 47 1.441 9.598 -7.667 380 HB ILE 47 HB ILE 47 0.927 10.787 -4.918 381 HG12 ILE 47 2HG1 ILE 47 3.295 10.187 -5.173 382 HG13 ILE 47 1HG1 ILE 47 2.484 9.091 -4.059 383 HG21 ILE 47 1HG2 ILE 47 -0.855 9.295 -5.617 384 HG22 ILE 47 2HG2 ILE 47 0.067 8.573 -4.296 385 HG23 ILE 47 3HG2 ILE 47 0.314 8.023 -5.957 386 HD11 ILE 47 3HD1 ILE 47 3.192 8.500 -6.933 387 HD12 ILE 47 1HD1 ILE 47 2.369 7.397 -5.828 388 HD13 ILE 47 2HD1 ILE 47 4.028 7.894 -5.506 389 H LEU 48 H LEU 48 -0.436 9.484 -8.635 390 HA LEU 48 HA LEU 48 -2.477 11.502 -8.071 391 HB2 LEU 48 2HB LEU 48 -1.341 11.859 -10.266 392 HB3 LEU 48 1HB LEU 48 -1.783 10.229 -10.726 393 HG LEU 48 HG LEU 48 -4.175 10.927 -10.400 394 HD11 LEU 48 1HD1 LEU 48 -2.976 13.692 -10.497 395 HD12 LEU 48 2HD1 LEU 48 -3.777 12.968 -9.111 396 HD13 LEU 48 3HD1 LEU 48 -4.696 13.314 -10.576 397 HD21 LEU 48 3HD2 LEU 48 -2.570 12.233 -12.600 398 HD22 LEU 48 1HD2 LEU 48 -4.313 11.972 -12.631 399 HD23 LEU 48 2HD2 LEU 48 -3.217 10.592 -12.605 400 HA PRO 49 HA PRO 49 -5.120 7.880 -7.170 401 HB2 PRO 49 2HB PRO 49 -6.889 9.668 -8.825 402 HB3 PRO 49 1HB PRO 49 -7.319 8.693 -7.395 403 HG2 PRO 49 2HG PRO 49 -6.920 11.228 -7.070 404 HG3 PRO 49 1HG PRO 49 -6.206 10.077 -5.915 405 HD2 PRO 49 2HD PRO 49 -4.878 11.667 -8.061 406 HD3 PRO 49 1HD PRO 49 -4.221 11.125 -6.502 407 H GLY 50 H GLY 50 -5.053 6.084 -8.297 408 HA2 GLY 50 2HA GLY 50 -5.572 4.752 -10.226 409 HA3 GLY 50 1HA GLY 50 -5.189 6.145 -11.234 410 H ASP 51 H ASP 51 -2.872 6.334 -8.993 411 HA ASP 51 HA ASP 51 -0.929 5.024 -10.692 412 HB2 ASP 51 2HB ASP 51 -0.712 7.277 -9.154 413 HB3 ASP 51 1HB ASP 51 -0.049 6.040 -8.080 414 H LYS 52 H LYS 52 0.698 3.676 -9.734 415 HA LYS 52 HA LYS 52 -0.504 1.701 -7.904 416 HB2 LYS 52 2HB LYS 52 -0.373 0.868 -10.256 417 HB3 LYS 52 1HB LYS 52 1.345 1.230 -10.233 418 HG2 LYS 52 2HG LYS 52 1.783 -0.472 -8.653 419 HG3 LYS 52 1HG LYS 52 0.057 -0.812 -8.471 420 HD2 LYS 52 2HD LYS 52 -0.116 -1.727 -10.611 421 HD3 LYS 52 1HD LYS 52 1.353 -0.935 -11.173 422 HE2 LYS 52 2HE LYS 52 1.317 -3.092 -9.078 423 HE3 LYS 52 1HE LYS 52 1.550 -3.403 -10.799 424 HZ1 LYS 52 3HZ LYS 52 3.276 -1.569 -9.223 425 HZ2 LYS 52 1HZ LYS 52 3.569 -2.137 -10.773 426 HZ3 LYS 52 2HZ LYS 52 3.632 -3.168 -9.401 427 H VAL 53 H VAL 53 0.682 1.204 -6.153 428 HA VAL 53 HA VAL 53 3.486 2.012 -6.144 429 HB VAL 53 HB VAL 53 3.260 2.767 -3.778 430 HG11 VAL 53 1HG1 VAL 53 1.693 4.346 -5.843 431 HG12 VAL 53 2HG1 VAL 53 3.435 4.413 -5.580 432 HG13 VAL 53 3HG1 VAL 53 2.335 5.008 -4.339 433 HG21 VAL 53 3HG2 VAL 53 0.988 3.482 -3.010 434 HG22 VAL 53 1HG2 VAL 53 1.137 1.733 -3.200 435 HG23 VAL 53 2HG2 VAL 53 0.306 2.689 -4.424 436 H THR 54 H THR 54 4.780 1.048 -4.469 437 HA THR 54 HA THR 54 3.969 -1.689 -3.986 438 HB THR 54 HB THR 54 6.666 -0.381 -3.607 439 HG1 THR 54 1HG THR 54 5.549 -1.524 -6.022 440 HG21 THR 54 3HG2 THR 54 6.381 -2.631 -2.640 441 HG22 THR 54 1HG2 THR 54 7.499 -2.671 -4.002 442 HG23 THR 54 2HG2 THR 54 5.843 -3.242 -4.204 443 H VAL 55 H VAL 55 3.192 -2.118 -2.029 444 HA VAL 55 HA VAL 55 3.828 -0.313 0.183 445 HB VAL 55 HB VAL 55 1.479 -0.118 -0.604 446 HG11 VAL 55 1HG1 VAL 55 -0.158 -1.897 -0.224 447 HG12 VAL 55 2HG1 VAL 55 1.127 -2.986 0.259 448 HG13 VAL 55 3HG1 VAL 55 1.065 -2.387 -1.398 449 HG21 VAL 55 3HG2 VAL 55 1.977 0.382 1.703 450 HG22 VAL 55 1HG2 VAL 55 1.769 -1.315 2.131 451 HG23 VAL 55 2HG2 VAL 55 0.385 -0.369 1.574 452 H GLU 56 H GLU 56 4.603 -1.183 1.979 453 HA GLU 56 HA GLU 56 4.796 -4.092 2.126 454 HB2 GLU 56 2HB GLU 56 6.619 -3.680 3.703 455 HB3 GLU 56 1HB GLU 56 6.897 -2.797 2.209 456 HG2 GLU 56 2HG GLU 56 5.653 -0.892 3.542 457 HG3 GLU 56 1HG GLU 56 6.274 -1.799 4.918 458 H MET 57 H MET 57 3.830 -5.175 3.732 459 HA MET 57 HA MET 57 2.741 -3.855 6.031 460 HB2 MET 57 2HB MET 57 0.428 -4.965 5.490 461 HB3 MET 57 1HB MET 57 0.832 -3.370 4.838 462 HG2 MET 57 2HG MET 57 1.381 -4.478 2.722 463 HG3 MET 57 1HG MET 57 0.954 -6.024 3.450 464 HE1 MET 57 3HE MET 57 -0.985 -2.743 4.343 465 HE2 MET 57 1HE MET 57 -2.089 -2.598 2.989 466 HE3 MET 57 2HE MET 57 -0.355 -2.414 2.726 467 H SER 58 H SER 58 1.781 -5.377 7.603 468 HA SER 58 HA SER 58 3.581 -7.596 7.709 469 HB2 SER 58 2HB SER 58 2.685 -7.969 9.955 470 HB3 SER 58 1HB SER 58 2.948 -6.226 9.736 471 HG SER 58 HG SER 58 0.718 -6.079 9.279 472 HA PRO 59 HA PRO 59 0.862 -10.695 5.984 473 HB2 PRO 59 2HB PRO 59 1.691 -12.531 8.148 474 HB3 PRO 59 1HB PRO 59 1.932 -12.690 6.398 475 HG2 PRO 59 2HG PRO 59 3.961 -12.169 8.041 476 HG3 PRO 59 1HG PRO 59 3.882 -11.520 6.394 477 HD2 PRO 59 2HD PRO 59 3.386 -10.146 8.981 478 HD3 PRO 59 1HD PRO 59 4.122 -9.537 7.484 479 H TYR 60 H TYR 60 0.635 -9.559 9.156 480 HA TYR 60 HA TYR 60 -1.752 -11.107 9.784 481 HB2 TYR 60 2HB TYR 60 0.072 -11.083 11.438 482 HB3 TYR 60 1HB TYR 60 -0.035 -9.334 11.531 483 HD1 TYR 60 1HD TYR 60 -1.928 -12.460 12.196 484 HD2 TYR 60 2HD TYR 60 -1.521 -8.313 13.051 485 HE1 TYR 60 1HE TYR 60 -3.554 -12.683 14.025 486 HE2 TYR 60 2HE TYR 60 -3.149 -8.524 14.880 487 HH TYR 60 HH TYR 60 -4.991 -10.013 15.523 488 H ASP 61 H ASP 61 -0.846 -7.935 8.636 489 HA ASP 61 HA ASP 61 -3.404 -6.999 9.683 490 HB2 ASP 61 2HB ASP 61 -2.729 -4.724 9.686 491 HB3 ASP 61 1HB ASP 61 -1.353 -5.577 10.347 492 H LEU 62 H LEU 62 -1.611 -6.163 6.734 493 HA LEU 62 HA LEU 62 -2.263 -5.595 4.673 494 HB2 LEU 62 2HB LEU 62 -4.201 -7.815 5.213 495 HB3 LEU 62 1HB LEU 62 -4.378 -6.867 3.752 496 HG LEU 62 HG LEU 62 -2.024 -7.493 3.152 497 HD11 LEU 62 1HD1 LEU 62 -2.320 -9.447 5.427 498 HD12 LEU 62 2HD1 LEU 62 -1.194 -8.091 5.352 499 HD13 LEU 62 3HD1 LEU 62 -1.023 -9.442 4.230 500 HD21 LEU 62 3HD2 LEU 62 -3.920 -8.602 2.138 501 HD22 LEU 62 1HD2 LEU 62 -4.006 -9.739 3.485 502 HD23 LEU 62 2HD2 LEU 62 -2.611 -9.753 2.407 503 H THR 63 H THR 63 -3.208 -4.067 6.835 504 HA THR 63 HA THR 63 -5.422 -2.741 5.460 505 HB THR 63 HB THR 63 -6.394 -3.837 7.419 506 HG1 THR 63 1HG THR 63 -6.565 -1.262 6.893 507 HG21 THR 63 3HG2 THR 63 -4.439 -3.987 8.853 508 HG22 THR 63 1HG2 THR 63 -5.745 -3.173 9.711 509 HG23 THR 63 2HG2 THR 63 -4.405 -2.234 9.045 510 H ARG 64 H ARG 64 -2.360 -2.501 7.081 511 HA ARG 64 HA ARG 64 -2.363 0.397 6.683 512 HB2 ARG 64 2HB ARG 64 -2.534 -0.316 9.113 513 HB3 ARG 64 1HB ARG 64 -1.045 -1.194 8.890 514 HG2 ARG 64 2HG ARG 64 -0.655 0.934 10.014 515 HG3 ARG 64 1HG ARG 64 0.168 0.870 8.454 516 HD2 ARG 64 2HD ARG 64 -1.570 2.201 7.439 517 HD3 ARG 64 1HD ARG 64 -2.506 2.183 8.933 518 HE ARG 64 HE ARG 64 -0.369 3.313 9.832 519 HH11 ARG 64 1HH1 ARG 64 -1.712 3.824 6.615 520 HH12 ARG 64 2HH1 ARG 64 -1.376 5.491 6.527 521 HH21 ARG 64 1HH2 ARG 64 0.116 5.677 9.762 522 HH22 ARG 64 2HH2 ARG 64 -0.325 6.574 8.379 523 H GLY 65 H GLY 65 -0.582 1.010 5.461 524 HA2 GLY 65 2HA GLY 65 1.640 -0.877 5.371 525 HA3 GLY 65 1HA GLY 65 0.820 -0.515 3.875 526 H ARG 66 H ARG 66 3.456 -0.020 4.163 527 HA ARG 66 HA ARG 66 3.495 2.906 4.089 528 HB2 ARG 66 2HB ARG 66 4.696 1.874 6.101 529 HB3 ARG 66 1HB ARG 66 5.802 1.132 4.968 530 HG2 ARG 66 2HG ARG 66 5.450 4.109 5.009 531 HG3 ARG 66 1HG ARG 66 6.484 3.330 6.194 532 HD2 ARG 66 2HD ARG 66 6.778 3.190 3.196 533 HD3 ARG 66 1HD ARG 66 7.762 4.159 4.292 534 HE ARG 66 HE ARG 66 7.862 1.291 3.855 535 HH11 ARG 66 1HH1 ARG 66 9.046 3.977 5.855 536 HH12 ARG 66 2HH1 ARG 66 10.339 3.075 6.522 537 HH21 ARG 66 1HH2 ARG 66 9.518 0.088 4.794 538 HH22 ARG 66 2HH2 ARG 66 10.645 0.738 5.878 539 H ILE 67 H ILE 67 4.400 3.753 2.290 540 HA ILE 67 HA ILE 67 5.090 1.827 0.223 541 HB ILE 67 HB ILE 67 4.079 4.651 0.064 542 HG12 ILE 67 2HG1 ILE 67 2.567 3.572 -1.652 543 HG13 ILE 67 1HG1 ILE 67 3.271 2.043 -1.131 544 HG21 ILE 67 1HG2 ILE 67 4.451 4.697 -2.364 545 HG22 ILE 67 2HG2 ILE 67 5.357 3.189 -2.246 546 HG23 ILE 67 3HG2 ILE 67 5.971 4.647 -1.468 547 HD11 ILE 67 3HD1 ILE 67 2.432 2.443 1.114 548 HD12 ILE 67 1HD1 ILE 67 1.137 2.439 -0.087 549 HD13 ILE 67 2HD1 ILE 67 1.734 3.966 0.563 550 H THR 68 H THR 68 7.054 1.400 -0.134 551 HA THR 68 HA THR 68 9.105 3.345 0.449 552 HB THR 68 HB THR 68 10.342 1.114 -0.486 553 HG1 THR 68 1HG THR 68 8.373 -0.006 1.146 554 HG21 THR 68 3HG2 THR 68 10.761 2.349 1.609 555 HG22 THR 68 1HG2 THR 68 10.656 0.592 1.891 556 HG23 THR 68 2HG2 THR 68 9.262 1.633 2.227 557 H TYR 69 H TYR 69 7.368 2.016 -2.236 558 HA TYR 69 HA TYR 69 9.053 3.488 -4.089 559 HB2 TYR 69 2HB TYR 69 10.049 1.186 -3.781 560 HB3 TYR 69 1HB TYR 69 8.488 0.581 -4.343 561 HD1 TYR 69 2HD TYR 69 10.664 3.332 -5.666 562 HD2 TYR 69 1HD TYR 69 8.815 -0.430 -6.402 563 HE1 TYR 69 2HE TYR 69 11.420 3.420 -8.007 564 HE2 TYR 69 1HE TYR 69 9.569 -0.348 -8.735 565 HH TYR 69 HH TYR 69 10.242 1.254 -10.379 566 H ARG 70 H ARG 70 8.001 3.768 -6.101 567 HA ARG 70 HA ARG 70 5.144 3.045 -6.157 568 HB2 ARG 70 2HB ARG 70 5.722 5.489 -6.180 569 HB3 ARG 70 1HB ARG 70 6.673 5.128 -7.622 570 HG2 ARG 70 2HG ARG 70 3.985 4.237 -8.061 571 HG3 ARG 70 1HG ARG 70 3.939 5.904 -7.500 572 HD2 ARG 70 2HD ARG 70 4.115 6.217 -9.781 573 HD3 ARG 70 1HD ARG 70 5.805 6.267 -9.320 574 HE ARG 70 HE ARG 70 4.473 3.891 -10.439 575 HH11 ARG 70 1HH1 ARG 70 7.385 5.863 -10.186 576 HH12 ARG 70 2HH1 ARG 70 8.199 5.249 -11.551 577 HH21 ARG 70 1HH2 ARG 70 5.645 2.979 -12.635 578 HH22 ARG 70 2HH2 ARG 70 7.146 3.573 -12.925 579 H TYR 71 H TYR 71 5.378 1.044 -7.314 580 HA TYR 71 HA TYR 71 6.744 1.467 -9.848 581 HB2 TYR 71 2HB TYR 71 7.403 -0.375 -8.389 582 HB3 TYR 71 1HB TYR 71 5.760 -1.015 -8.566 583 HD1 TYR 71 2HD TYR 71 8.651 0.032 -10.718 584 HD2 TYR 71 1HD TYR 71 5.390 -2.648 -10.209 585 HE1 TYR 71 2HE TYR 71 9.335 -1.176 -12.748 586 HE2 TYR 71 1HE TYR 71 6.063 -3.864 -12.236 587 HH TYR 71 HH TYR 71 9.080 -3.398 -13.740 588 H LYS 72 H LYS 72 5.390 2.026 -11.371 589 HA LYS 72 HA LYS 72 3.036 0.415 -11.609 590 HB2 LYS 72 2HB LYS 72 1.757 2.159 -12.822 591 HB3 LYS 72 1HB LYS 72 2.141 2.717 -11.215 592 HG2 LYS 72 2HG LYS 72 3.756 4.250 -12.058 593 HG3 LYS 72 1HG LYS 72 3.636 3.555 -13.679 594 HD2 LYS 72 2HD LYS 72 1.378 4.310 -13.922 595 HD3 LYS 72 1HD LYS 72 1.299 4.780 -12.226 596 HE2 LYS 72 2HE LYS 72 3.153 6.027 -14.247 597 HE3 LYS 72 1HE LYS 72 1.574 6.683 -13.810 598 HZ1 LYS 72 3HZ LYS 72 3.321 7.763 -12.512 599 HZ2 LYS 72 1HZ LYS 72 3.808 6.255 -11.885 600 HZ3 LYS 72 2HZ LYS 72 2.302 6.876 -11.541 Start of MODEL 16 1 H1 MET 1 1HT MET 1 13.274 -12.883 3.093 2 H2 MET 1 2HT MET 1 13.935 -13.359 4.576 3 H3 MET 1 3HT MET 1 12.406 -13.887 4.107 4 HA MET 1 HA MET 1 14.910 -14.529 2.718 5 HB2 MET 1 2HB MET 1 14.599 -16.848 3.507 6 HB3 MET 1 1HB MET 1 14.850 -15.728 4.832 7 HG2 MET 1 2HG MET 1 12.425 -15.763 5.279 8 HG3 MET 1 1HG MET 1 12.220 -16.925 3.970 9 HE1 MET 1 2HE MET 1 11.190 -17.400 6.966 10 HE2 MET 1 3HE MET 1 11.643 -19.089 7.187 11 HE3 MET 1 1HE MET 1 10.962 -18.553 5.651 12 H ALA 2 H ALA 2 11.344 -15.089 2.841 13 HA ALA 2 HA ALA 2 11.463 -16.312 0.194 14 HB1 ALA 2 1HB ALA 2 8.986 -16.338 0.390 15 HB2 ALA 2 2HB ALA 2 9.107 -15.408 1.883 16 HB3 ALA 2 3HB ALA 2 9.750 -17.046 1.813 17 H LYS 3 H LYS 3 10.779 -13.415 1.755 18 HA LYS 3 HA LYS 3 11.387 -11.761 -0.412 19 HB2 LYS 3 2HB LYS 3 9.076 -10.417 0.253 20 HB3 LYS 3 1HB LYS 3 9.180 -11.489 -1.119 21 HG2 LYS 3 2HG LYS 3 7.119 -11.867 0.076 22 HG3 LYS 3 1HG LYS 3 8.150 -13.280 0.237 23 HD2 LYS 3 2HD LYS 3 8.767 -12.580 2.479 24 HD3 LYS 3 1HD LYS 3 7.793 -11.118 2.302 25 HE2 LYS 3 2HE LYS 3 5.780 -12.464 2.076 26 HE3 LYS 3 1HE LYS 3 6.737 -13.942 2.175 27 HZ1 LYS 3 3HZ LYS 3 5.713 -13.390 4.304 28 HZ2 LYS 3 1HZ LYS 3 6.525 -11.892 4.291 29 HZ3 LYS 3 2HZ LYS 3 7.395 -13.370 4.374 30 H GLN 4 H GLN 4 10.237 -9.394 1.294 31 HA GLN 4 HA GLN 4 12.476 -9.332 3.050 32 HB2 GLN 4 2HB GLN 4 9.945 -7.669 3.168 33 HB3 GLN 4 1HB GLN 4 11.380 -7.372 4.130 34 HG2 GLN 4 2HG GLN 4 12.634 -7.044 1.982 35 HG3 GLN 4 1HG GLN 4 11.077 -7.124 1.154 36 HE21 GLN 4 1HE2 GLN 4 9.580 -5.476 1.478 37 HE22 GLN 4 2HE2 GLN 4 10.024 -3.946 2.163 38 H ASP 5 H ASP 5 9.333 -10.503 3.311 39 HA ASP 5 HA ASP 5 8.307 -11.870 4.645 40 HB2 ASP 5 2HB ASP 5 10.854 -12.006 5.956 41 HB3 ASP 5 1HB ASP 5 9.458 -12.684 6.847 42 H VAL 6 H VAL 6 8.600 -9.456 4.786 43 HA VAL 6 HA VAL 6 6.560 -8.577 6.753 44 HB VAL 6 HB VAL 6 7.993 -7.099 4.487 45 HG11 VAL 6 1HG1 VAL 6 7.282 -5.035 5.644 46 HG12 VAL 6 2HG1 VAL 6 6.474 -6.014 6.868 47 HG13 VAL 6 3HG1 VAL 6 5.905 -6.044 5.199 48 HG21 VAL 6 3HG2 VAL 6 9.694 -7.760 6.081 49 HG22 VAL 6 1HG2 VAL 6 8.767 -7.048 7.402 50 HG23 VAL 6 2HG2 VAL 6 9.448 -6.014 6.145 51 H ILE 7 H ILE 7 4.696 -7.600 5.383 52 HA ILE 7 HA ILE 7 4.425 -9.456 3.113 53 HB ILE 7 HB ILE 7 2.287 -7.884 4.587 54 HG12 ILE 7 2HG1 ILE 7 3.087 -9.792 5.876 55 HG13 ILE 7 1HG1 ILE 7 1.450 -10.091 5.306 56 HG21 ILE 7 1HG2 ILE 7 0.634 -9.085 3.222 57 HG22 ILE 7 2HG2 ILE 7 1.950 -9.769 2.260 58 HG23 ILE 7 3HG2 ILE 7 1.678 -8.024 2.277 59 HD11 ILE 7 3HD1 ILE 7 2.354 -11.529 3.527 60 HD12 ILE 7 1HD1 ILE 7 2.807 -12.089 5.136 61 HD13 ILE 7 2HD1 ILE 7 3.982 -11.239 4.141 62 H GLU 8 H GLU 8 5.048 -8.622 1.283 63 HA GLU 8 HA GLU 8 4.644 -5.796 0.772 64 HB2 GLU 8 2HB GLU 8 6.257 -7.815 -0.813 65 HB3 GLU 8 1HB GLU 8 6.236 -6.077 -1.062 66 HG2 GLU 8 2HG GLU 8 8.130 -6.116 0.160 67 HG3 GLU 8 1HG GLU 8 7.022 -6.234 1.527 68 H LEU 9 H LEU 9 2.922 -5.282 -0.309 69 HA LEU 9 HA LEU 9 1.852 -7.174 -2.275 70 HB2 LEU 9 2HB LEU 9 0.344 -5.427 -0.347 71 HB3 LEU 9 1HB LEU 9 -0.405 -6.147 -1.755 72 HG LEU 9 HG LEU 9 0.874 -7.705 0.492 73 HD11 LEU 9 1HD1 LEU 9 -2.034 -7.194 -0.117 74 HD12 LEU 9 2HD1 LEU 9 -1.132 -6.533 1.248 75 HD13 LEU 9 3HD1 LEU 9 -1.416 -8.270 1.135 76 HD21 LEU 9 3HD2 LEU 9 0.922 -8.913 -1.621 77 HD22 LEU 9 1HD2 LEU 9 -0.792 -8.574 -1.870 78 HD23 LEU 9 2HD2 LEU 9 -0.282 -9.619 -0.546 79 H GLU 10 H GLU 10 0.581 -6.182 -3.949 80 HA GLU 10 HA GLU 10 1.620 -3.551 -4.705 81 HB2 GLU 10 2HB GLU 10 1.895 -5.948 -6.013 82 HB3 GLU 10 1HB GLU 10 0.382 -5.395 -6.688 83 HG2 GLU 10 2HG GLU 10 2.891 -3.738 -6.730 84 HG3 GLU 10 1HG GLU 10 2.465 -4.859 -8.017 85 H GLY 11 H GLY 11 -0.061 -2.217 -5.735 86 HA2 GLY 11 2HA GLY 11 -2.766 -3.003 -5.550 87 HA3 GLY 11 1HA GLY 11 -2.339 -1.989 -4.177 88 H THR 12 H THR 12 -4.175 -0.914 -5.562 89 HA THR 12 HA THR 12 -2.848 0.950 -7.406 90 HB THR 12 HB THR 12 -5.750 0.147 -7.373 91 HG1 THR 12 1HG THR 12 -4.451 -1.680 -8.058 92 HG21 THR 12 3HG2 THR 12 -5.806 1.238 -9.578 93 HG22 THR 12 1HG2 THR 12 -4.077 1.588 -9.445 94 HG23 THR 12 2HG2 THR 12 -5.202 2.354 -8.341 95 H VAL 13 H VAL 13 -2.908 3.004 -6.722 96 HA VAL 13 HA VAL 13 -4.551 3.561 -4.406 97 HB VAL 13 HB VAL 13 -2.314 4.289 -4.020 98 HG11 VAL 13 1HG1 VAL 13 -1.544 4.319 -6.219 99 HG12 VAL 13 2HG1 VAL 13 -1.146 5.826 -5.382 100 HG13 VAL 13 3HG1 VAL 13 -2.461 5.796 -6.584 101 HG21 VAL 13 3HG2 VAL 13 -4.005 5.847 -3.181 102 HG22 VAL 13 1HG2 VAL 13 -3.948 6.724 -4.701 103 HG23 VAL 13 2HG2 VAL 13 -2.530 6.709 -3.646 104 H LEU 14 H LEU 14 -6.259 4.775 -4.309 105 HA LEU 14 HA LEU 14 -7.091 5.919 -6.851 106 HB2 LEU 14 2HB LEU 14 -8.705 4.819 -4.580 107 HB3 LEU 14 1HB LEU 14 -9.424 5.914 -5.735 108 HG LEU 14 HG LEU 14 -8.802 4.290 -7.545 109 HD11 LEU 14 1HD1 LEU 14 -8.348 1.968 -6.942 110 HD12 LEU 14 2HD1 LEU 14 -8.193 2.454 -5.251 111 HD13 LEU 14 3HD1 LEU 14 -7.047 3.056 -6.447 112 HD21 LEU 14 3HD2 LEU 14 -11.063 4.418 -6.686 113 HD22 LEU 14 1HD2 LEU 14 -10.656 3.298 -5.388 114 HD23 LEU 14 2HD2 LEU 14 -10.646 2.747 -7.062 115 H ASP 15 H ASP 15 -6.578 6.770 -3.482 116 HA ASP 15 HA ASP 15 -7.282 9.528 -4.250 117 HB2 ASP 15 2HB ASP 15 -8.009 8.266 -1.628 118 HB3 ASP 15 1HB ASP 15 -8.355 9.914 -2.095 119 H THR 16 H THR 16 -6.190 11.130 -3.128 120 HA THR 16 HA THR 16 -3.704 10.299 -1.839 121 HB THR 16 HB THR 16 -3.110 12.728 -2.256 122 HG1 THR 16 1HG THR 16 -5.454 13.243 -2.445 123 HG21 THR 16 3HG2 THR 16 -2.453 10.908 -3.827 124 HG22 THR 16 1HG2 THR 16 -2.735 12.444 -4.656 125 HG23 THR 16 2HG2 THR 16 -3.955 11.174 -4.704 126 H LEU 17 H LEU 17 -3.456 10.696 0.397 127 HA LEU 17 HA LEU 17 -5.649 12.180 1.619 128 HB2 LEU 17 2HB LEU 17 -3.882 10.106 2.890 129 HB3 LEU 17 1HB LEU 17 -5.256 10.874 3.653 130 HG LEU 17 HG LEU 17 -5.201 8.681 1.575 131 HD11 LEU 17 1HD1 LEU 17 -6.611 7.545 3.148 132 HD12 LEU 17 2HD1 LEU 17 -6.456 8.901 4.265 133 HD13 LEU 17 3HD1 LEU 17 -5.033 7.965 3.806 134 HD21 LEU 17 3HD2 LEU 17 -7.648 8.870 1.387 135 HD22 LEU 17 1HD2 LEU 17 -6.871 10.339 0.795 136 HD23 LEU 17 2HD2 LEU 17 -7.620 10.318 2.392 137 HA PRO 18 HA PRO 18 -2.704 15.194 3.127 138 HB2 PRO 18 2HB PRO 18 -4.141 15.090 5.722 139 HB3 PRO 18 1HB PRO 18 -3.882 16.474 4.641 140 HG2 PRO 18 2HG PRO 18 -6.271 15.381 4.849 141 HG3 PRO 18 1HG PRO 18 -5.653 15.955 3.288 142 HD2 PRO 18 2HD PRO 18 -5.858 13.156 4.298 143 HD3 PRO 18 1HD PRO 18 -6.171 13.813 2.676 144 H ASN 19 H ASN 19 -0.904 15.371 4.451 145 HA ASN 19 HA ASN 19 0.777 14.888 5.871 146 HB2 ASN 19 2HB ASN 19 -1.036 14.619 7.606 147 HB3 ASN 19 1HB ASN 19 -1.090 12.903 7.233 148 HD21 ASN 19 1HD2 ASN 19 -0.547 12.365 9.340 149 HD22 ASN 19 2HD2 ASN 19 1.053 12.595 9.974 150 H ALA 20 H ALA 20 0.263 13.465 3.412 151 HA ALA 20 HA ALA 20 1.442 12.113 2.061 152 HB1 ALA 20 1HB ALA 20 3.567 11.139 2.762 153 HB2 ALA 20 2HB ALA 20 3.175 11.454 4.452 154 HB3 ALA 20 3HB ALA 20 3.438 12.800 3.345 155 H MET 21 H MET 21 -0.802 11.250 3.780 156 HA MET 21 HA MET 21 -0.522 8.367 3.833 157 HB2 MET 21 2HB MET 21 -2.686 10.314 4.540 158 HB3 MET 21 1HB MET 21 -3.126 8.665 4.133 159 HG2 MET 21 2HG MET 21 -3.055 8.947 6.478 160 HG3 MET 21 1HG MET 21 -1.773 7.876 5.928 161 HE1 MET 21 3HE MET 21 -2.083 9.369 8.847 162 HE2 MET 21 1HE MET 21 -0.394 9.765 9.163 163 HE3 MET 21 2HE MET 21 -0.820 8.195 8.480 164 H PHE 22 H PHE 22 -1.607 7.038 2.374 165 HA PHE 22 HA PHE 22 -3.000 8.362 0.196 166 HB2 PHE 22 2HB PHE 22 -0.776 6.336 -0.094 167 HB3 PHE 22 1HB PHE 22 -1.953 6.622 -1.370 168 HD1 PHE 22 2HD PHE 22 0.819 8.107 0.547 169 HD2 PHE 22 1HD PHE 22 -1.857 8.591 -2.720 170 HE1 PHE 22 2HE PHE 22 2.157 10.001 -0.271 171 HE2 PHE 22 1HE PHE 22 -0.508 10.486 -3.538 172 HZ PHE 22 HZ PHE 22 1.491 11.189 -2.311 173 H LYS 23 H LYS 23 -4.755 7.326 -0.524 174 HA LYS 23 HA LYS 23 -5.548 5.011 1.039 175 HB2 LYS 23 2HB LYS 23 -7.202 6.757 1.056 176 HB3 LYS 23 1HB LYS 23 -7.073 6.931 -0.693 177 HG2 LYS 23 2HG LYS 23 -8.073 4.739 -1.005 178 HG3 LYS 23 1HG LYS 23 -8.167 4.523 0.742 179 HD2 LYS 23 2HD LYS 23 -9.810 6.169 0.967 180 HD3 LYS 23 1HD LYS 23 -9.460 6.857 -0.619 181 HE2 LYS 23 2HE LYS 23 -10.642 4.125 -0.138 182 HE3 LYS 23 1HE LYS 23 -11.559 5.564 -0.596 183 HZ1 LYS 23 3HZ LYS 23 -9.513 4.131 -2.244 184 HZ2 LYS 23 1HZ LYS 23 -10.091 5.695 -2.593 185 HZ3 LYS 23 2HZ LYS 23 -11.120 4.357 -2.576 186 H VAL 24 H VAL 24 -4.958 3.279 0.209 187 HA VAL 24 HA VAL 24 -4.872 3.011 -2.720 188 HB VAL 24 HB VAL 24 -3.160 1.468 -0.767 189 HG11 VAL 24 1HG1 VAL 24 -2.904 1.764 -3.720 190 HG12 VAL 24 2HG1 VAL 24 -3.436 0.339 -2.832 191 HG13 VAL 24 3HG1 VAL 24 -1.778 0.917 -2.661 192 HG21 VAL 24 3HG2 VAL 24 -2.462 4.037 -2.176 193 HG22 VAL 24 1HG2 VAL 24 -1.260 2.925 -1.498 194 HG23 VAL 24 2HG2 VAL 24 -2.450 3.688 -0.458 195 H GLU 25 H GLU 25 -5.866 1.307 -3.589 196 HA GLU 25 HA GLU 25 -7.104 -0.498 -1.701 197 HB2 GLU 25 2HB GLU 25 -7.939 0.463 -4.399 198 HB3 GLU 25 1HB GLU 25 -8.410 -1.150 -3.893 199 HG2 GLU 25 2HG GLU 25 -10.192 0.354 -3.410 200 HG3 GLU 25 1HG GLU 25 -9.449 -0.223 -1.923 201 H LEU 26 H LEU 26 -6.641 -2.456 -1.735 202 HA LEU 26 HA LEU 26 -4.366 -3.459 -3.177 203 HB2 LEU 26 2HB LEU 26 -6.471 -4.872 -1.549 204 HB3 LEU 26 1HB LEU 26 -5.133 -5.709 -2.304 205 HG LEU 26 HG LEU 26 -4.841 -3.562 -0.203 206 HD11 LEU 26 1HD1 LEU 26 -4.265 -5.411 1.292 207 HD12 LEU 26 2HD1 LEU 26 -4.626 -6.566 0.009 208 HD13 LEU 26 3HD1 LEU 26 -5.915 -5.571 0.689 209 HD21 LEU 26 3HD2 LEU 26 -2.904 -3.702 -1.663 210 HD22 LEU 26 1HD2 LEU 26 -2.866 -5.457 -1.476 211 HD23 LEU 26 2HD2 LEU 26 -2.525 -4.419 -0.099 212 H GLU 27 H GLU 27 -4.409 -5.198 -4.712 213 HA GLU 27 HA GLU 27 -6.196 -4.844 -6.843 214 HB2 GLU 27 2HB GLU 27 -4.479 -7.268 -6.298 215 HB3 GLU 27 1HB GLU 27 -5.027 -6.687 -7.864 216 HG2 GLU 27 2HG GLU 27 -3.117 -5.248 -6.031 217 HG3 GLU 27 1HG GLU 27 -2.653 -6.181 -7.439 218 H ASN 28 H ASN 28 -6.669 -6.391 -3.986 219 HA ASN 28 HA ASN 28 -8.549 -8.465 -4.835 220 HB2 ASN 28 2HB ASN 28 -6.922 -8.576 -2.821 221 HB3 ASN 28 1HB ASN 28 -8.015 -7.467 -2.025 222 HD21 ASN 28 1HD2 ASN 28 -10.453 -8.866 -3.123 223 HD22 ASN 28 2HD2 ASN 28 -10.519 -10.346 -2.228 224 H GLY 29 H GLY 29 -8.578 -5.106 -4.371 225 HA2 GLY 29 2HA GLY 29 -10.399 -3.706 -4.676 226 HA3 GLY 29 1HA GLY 29 -11.474 -5.055 -4.351 227 H HIS 30 H HIS 30 -9.043 -4.759 -1.997 228 HA HIS 30 HA HIS 30 -11.027 -3.698 -0.131 229 HB2 HIS 30 2HB HIS 30 -9.527 -5.883 0.175 230 HB3 HIS 30 1HB HIS 30 -8.380 -4.641 0.698 231 HD1 HIS 30 1HD HIS 30 -11.949 -5.548 1.678 232 HD2 HIS 30 2HD HIS 30 -8.484 -3.911 3.267 233 HE1 HIS 30 1HE HIS 30 -12.453 -5.119 4.089 234 HE2 HIS 30 2HE HIS 30 -10.640 -3.505 4.544 235 H GLU 31 H GLU 31 -10.329 -2.090 1.397 236 HA GLU 31 HA GLU 31 -8.650 -0.115 0.173 237 HB2 GLU 31 2HB GLU 31 -9.797 1.381 1.641 238 HB3 GLU 31 1HB GLU 31 -11.000 0.317 0.944 239 HG2 GLU 31 2HG GLU 31 -9.822 0.070 3.698 240 HG3 GLU 31 1HG GLU 31 -11.417 0.774 3.368 241 H ILE 32 H ILE 32 -6.778 0.525 1.078 242 HA ILE 32 HA ILE 32 -6.146 -0.233 3.805 243 HB ILE 32 HB ILE 32 -3.773 -0.748 3.124 244 HG12 ILE 32 2HG1 ILE 32 -4.937 -1.013 0.380 245 HG13 ILE 32 1HG1 ILE 32 -3.986 0.380 0.892 246 HG21 ILE 32 1HG2 ILE 32 -5.300 -2.581 3.637 247 HG22 ILE 32 2HG2 ILE 32 -4.196 -3.042 2.341 248 HG23 ILE 32 3HG2 ILE 32 -5.857 -2.594 1.967 249 HD11 ILE 32 3HD1 ILE 32 -2.069 -1.095 1.296 250 HD12 ILE 32 1HD1 ILE 32 -2.615 -1.174 -0.380 251 HD13 ILE 32 2HD1 ILE 32 -3.026 -2.468 0.750 252 H LEU 33 H LEU 33 -4.666 1.182 4.768 253 HA LEU 33 HA LEU 33 -4.441 3.728 3.326 254 HB2 LEU 33 2HB LEU 33 -4.321 3.173 6.295 255 HB3 LEU 33 1HB LEU 33 -4.197 4.752 5.547 256 HG LEU 33 HG LEU 33 -6.636 2.982 5.468 257 HD11 LEU 33 1HD1 LEU 33 -6.226 3.855 7.706 258 HD12 LEU 33 2HD1 LEU 33 -7.620 4.655 6.979 259 HD13 LEU 33 3HD1 LEU 33 -6.068 5.485 7.055 260 HD21 LEU 33 3HD2 LEU 33 -6.221 5.815 4.515 261 HD22 LEU 33 1HD2 LEU 33 -7.767 4.973 4.569 262 HD23 LEU 33 2HD2 LEU 33 -6.496 4.400 3.496 263 H ALA 34 H ALA 34 -2.475 4.310 2.746 264 HA ALA 34 HA ALA 34 -0.252 2.885 4.011 265 HB1 ALA 34 1HB ALA 34 -0.705 1.988 1.791 266 HB2 ALA 34 2HB ALA 34 0.854 2.808 1.844 267 HB3 ALA 34 3HB ALA 34 -0.534 3.601 1.099 268 H HIS 35 H HIS 35 1.751 3.989 3.943 269 HA HIS 35 HA HIS 35 1.481 6.911 3.639 270 HB2 HIS 35 2HB HIS 35 1.655 5.903 6.062 271 HB3 HIS 35 1HB HIS 35 3.340 5.646 5.608 272 HD1 HIS 35 1HD HIS 35 4.803 7.881 5.169 273 HD2 HIS 35 2HD HIS 35 0.977 8.497 6.666 274 HE1 HIS 35 1HE HIS 35 4.786 10.214 6.040 275 HE2 HIS 35 2HE HIS 35 2.338 10.635 6.474 276 H VAL 36 H VAL 36 3.118 7.822 2.533 277 HA VAL 36 HA VAL 36 5.059 6.068 1.351 278 HB VAL 36 HB VAL 36 5.871 8.134 0.156 279 HG11 VAL 36 1HG1 VAL 36 3.909 8.274 -1.318 280 HG12 VAL 36 2HG1 VAL 36 2.952 7.424 -0.105 281 HG13 VAL 36 3HG1 VAL 36 4.305 6.611 -0.892 282 HG21 VAL 36 3HG2 VAL 36 4.426 10.120 0.213 283 HG22 VAL 36 1HG2 VAL 36 5.148 9.796 1.791 284 HG23 VAL 36 2HG2 VAL 36 3.462 9.373 1.487 285 H SER 37 H SER 37 7.266 6.282 1.472 286 HA SER 37 HA SER 37 8.249 6.613 4.081 287 HB2 SER 37 2HB SER 37 10.414 6.124 3.137 288 HB3 SER 37 1HB SER 37 9.216 5.094 2.358 289 HG SER 37 HG SER 37 9.603 6.011 0.529 290 H GLY 38 H GLY 38 9.983 8.057 4.752 291 HA2 GLY 38 2HA GLY 38 9.486 10.763 4.417 292 HA3 GLY 38 1HA GLY 38 10.969 10.077 5.060 293 H LYS 39 H LYS 39 11.200 8.610 2.301 294 HA LYS 39 HA LYS 39 13.018 10.468 1.153 295 HB2 LYS 39 2HB LYS 39 13.298 8.033 0.957 296 HB3 LYS 39 1HB LYS 39 11.794 7.919 0.062 297 HG2 LYS 39 2HG LYS 39 12.806 9.259 -1.747 298 HG3 LYS 39 1HG LYS 39 14.326 9.279 -0.851 299 HD2 LYS 39 2HD LYS 39 14.436 6.844 -0.948 300 HD3 LYS 39 1HD LYS 39 12.892 6.795 -1.799 301 HE2 LYS 39 2HE LYS 39 13.895 8.064 -3.651 302 HE3 LYS 39 1HE LYS 39 15.440 8.068 -2.800 303 HZ1 LYS 39 3HZ LYS 39 15.342 6.323 -4.475 304 HZ2 LYS 39 1HZ LYS 39 13.990 5.646 -3.722 305 HZ3 LYS 39 2HZ LYS 39 15.482 5.655 -2.928 306 H ILE 40 H ILE 40 9.764 9.406 0.468 307 HA ILE 40 HA ILE 40 9.490 11.031 -1.862 308 HB ILE 40 HB ILE 40 7.705 9.163 -0.345 309 HG12 ILE 40 2HG1 ILE 40 8.319 9.406 -3.259 310 HG13 ILE 40 1HG1 ILE 40 9.276 8.407 -2.158 311 HG21 ILE 40 1HG2 ILE 40 6.678 11.061 -2.451 312 HG22 ILE 40 2HG2 ILE 40 6.239 11.047 -0.747 313 HG23 ILE 40 3HG2 ILE 40 5.798 9.687 -1.780 314 HD11 ILE 40 3HD1 ILE 40 6.366 8.057 -2.897 315 HD12 ILE 40 1HD1 ILE 40 7.230 7.063 -1.724 316 HD13 ILE 40 2HD1 ILE 40 7.711 7.042 -3.420 317 H ARG 41 H ARG 41 8.403 11.148 1.463 318 HA ARG 41 HA ARG 41 6.760 13.411 1.272 319 HB2 ARG 41 2HB ARG 41 6.902 11.774 3.209 320 HB3 ARG 41 1HB ARG 41 8.371 12.578 3.699 321 HG2 ARG 41 2HG ARG 41 5.921 14.265 3.449 322 HG3 ARG 41 1HG ARG 41 5.970 13.117 4.771 323 HD2 ARG 41 2HD ARG 41 6.746 15.206 5.639 324 HD3 ARG 41 1HD ARG 41 8.163 14.187 5.472 325 HE ARG 41 HE ARG 41 7.765 15.820 3.183 326 HH11 ARG 41 1HH1 ARG 41 8.993 15.994 6.508 327 HH12 ARG 41 2HH1 ARG 41 10.093 17.253 6.174 328 HH21 ARG 41 1HH2 ARG 41 9.256 17.547 2.739 329 HH22 ARG 41 2HH2 ARG 41 10.253 18.150 3.962 330 H MET 42 H MET 42 10.250 13.138 1.933 331 HA MET 42 HA MET 42 10.538 15.898 2.535 332 HB2 MET 42 2HB MET 42 12.068 14.173 3.421 333 HB3 MET 42 1HB MET 42 12.694 13.918 1.799 334 HG2 MET 42 2HG MET 42 14.205 15.314 3.074 335 HG3 MET 42 1HG MET 42 13.491 16.236 1.752 336 HE1 MET 42 3HE MET 42 14.279 18.502 2.877 337 HE2 MET 42 1HE MET 42 15.002 17.597 4.209 338 HE3 MET 42 2HE MET 42 13.919 18.949 4.544 339 H ASN 43 H ASN 43 10.876 14.037 -0.419 340 HA ASN 43 HA ASN 43 11.991 16.357 -1.788 341 HB2 ASN 43 2HB ASN 43 11.497 13.528 -2.734 342 HB3 ASN 43 1HB ASN 43 12.023 14.812 -3.815 343 HD21 ASN 43 1HD2 ASN 43 12.941 12.678 -1.239 344 HD22 ASN 43 2HD2 ASN 43 14.636 13.063 -1.308 345 H TYR 44 H TYR 44 9.061 15.511 -0.888 346 HA TYR 44 HA TYR 44 6.978 15.995 -1.377 347 HB2 TYR 44 2HB TYR 44 8.530 18.064 -2.696 348 HB3 TYR 44 1HB TYR 44 6.751 18.145 -2.868 349 HD1 TYR 44 1HD TYR 44 9.662 18.573 -0.699 350 HD2 TYR 44 2HD TYR 44 5.411 18.535 -0.801 351 HE1 TYR 44 1HE TYR 44 9.606 19.620 1.519 352 HE2 TYR 44 2HE TYR 44 5.344 19.585 1.420 353 HH TYR 44 HH TYR 44 6.708 19.895 3.359 354 H ILE 45 H ILE 45 8.435 14.170 -3.204 355 HA ILE 45 HA ILE 45 7.012 14.376 -5.671 356 HB ILE 45 HB ILE 45 7.886 12.038 -6.117 357 HG12 ILE 45 2HG1 ILE 45 9.408 12.555 -3.547 358 HG13 ILE 45 1HG1 ILE 45 8.182 11.319 -3.799 359 HG21 ILE 45 1HG2 ILE 45 9.885 14.203 -5.495 360 HG22 ILE 45 2HG2 ILE 45 8.995 13.994 -7.004 361 HG23 ILE 45 3HG2 ILE 45 10.195 12.797 -6.512 362 HD11 ILE 45 3HD1 ILE 45 10.433 10.375 -3.855 363 HD12 ILE 45 1HD1 ILE 45 10.855 11.458 -5.182 364 HD13 ILE 45 2HD1 ILE 45 9.637 10.206 -5.421 365 H ARG 46 H ARG 46 5.346 12.968 -6.420 366 HA ARG 46 HA ARG 46 3.695 12.175 -4.126 367 HB2 ARG 46 2HB ARG 46 2.767 13.858 -6.450 368 HB3 ARG 46 1HB ARG 46 1.805 13.361 -5.060 369 HG2 ARG 46 2HG ARG 46 3.114 14.675 -3.579 370 HG3 ARG 46 1HG ARG 46 4.296 15.014 -4.832 371 HD2 ARG 46 2HD ARG 46 2.438 16.184 -6.073 372 HD3 ARG 46 1HD ARG 46 1.488 16.041 -4.587 373 HE ARG 46 HE ARG 46 4.091 17.077 -4.174 374 HH11 ARG 46 1HH1 ARG 46 0.789 17.983 -5.030 375 HH12 ARG 46 2HH1 ARG 46 0.921 19.622 -4.594 376 HH21 ARG 46 1HH2 ARG 46 4.336 19.334 -3.557 377 HH22 ARG 46 2HH2 ARG 46 3.047 20.432 -3.712 378 H ILE 47 H ILE 47 2.136 10.668 -4.525 379 HA ILE 47 HA ILE 47 2.524 9.046 -6.911 380 HB ILE 47 HB ILE 47 0.926 8.462 -4.395 381 HG12 ILE 47 2HG1 ILE 47 3.286 8.670 -3.778 382 HG13 ILE 47 1HG1 ILE 47 2.780 6.991 -3.690 383 HG21 ILE 47 1HG2 ILE 47 0.196 7.199 -6.314 384 HG22 ILE 47 2HG2 ILE 47 1.000 6.132 -5.154 385 HG23 ILE 47 3HG2 ILE 47 1.842 6.653 -6.613 386 HD11 ILE 47 3HD1 ILE 47 3.884 6.554 -5.825 387 HD12 ILE 47 1HD1 ILE 47 5.009 7.199 -4.631 388 HD13 ILE 47 2HD1 ILE 47 4.391 8.242 -5.910 389 H LEU 48 H LEU 48 0.881 8.912 -8.396 390 HA LEU 48 HA LEU 48 -1.286 10.830 -8.068 391 HB2 LEU 48 2HB LEU 48 0.176 10.880 -10.065 392 HB3 LEU 48 1HB LEU 48 -0.331 9.254 -10.461 393 HG LEU 48 HG LEU 48 -2.671 10.157 -10.655 394 HD11 LEU 48 1HD1 LEU 48 -1.227 12.806 -10.657 395 HD12 LEU 48 2HD1 LEU 48 -2.332 12.251 -9.412 396 HD13 LEU 48 3HD1 LEU 48 -2.928 12.560 -11.046 397 HD21 LEU 48 3HD2 LEU 48 -1.332 9.616 -12.609 398 HD22 LEU 48 1HD2 LEU 48 -0.565 11.204 -12.542 399 HD23 LEU 48 2HD2 LEU 48 -2.285 11.070 -12.910 400 HA PRO 49 HA PRO 49 -4.390 7.524 -7.396 401 HB2 PRO 49 2HB PRO 49 -5.881 9.505 -9.100 402 HB3 PRO 49 1HB PRO 49 -6.451 8.623 -7.661 403 HG2 PRO 49 2HG PRO 49 -5.795 11.109 -7.397 404 HG3 PRO 49 1HG PRO 49 -5.236 9.926 -6.188 405 HD2 PRO 49 2HD PRO 49 -3.705 11.246 -8.391 406 HD3 PRO 49 1HD PRO 49 -3.157 10.805 -6.760 407 H GLY 50 H GLY 50 -4.460 5.768 -8.624 408 HA2 GLY 50 2HA GLY 50 -5.019 4.629 -10.666 409 HA3 GLY 50 1HA GLY 50 -4.448 6.038 -11.555 410 H ASP 51 H ASP 51 -2.243 5.821 -9.255 411 HA ASP 51 HA ASP 51 -0.358 4.337 -10.860 412 HB2 ASP 51 2HB ASP 51 -0.121 5.910 -8.300 413 HB3 ASP 51 1HB ASP 51 1.202 4.916 -8.865 414 H LYS 52 H LYS 52 0.926 2.559 -10.028 415 HA LYS 52 HA LYS 52 -0.598 0.850 -8.199 416 HB2 LYS 52 2HB LYS 52 1.717 0.114 -10.008 417 HB3 LYS 52 1HB LYS 52 0.573 -0.980 -9.245 418 HG2 LYS 52 2HG LYS 52 -0.037 0.958 -11.474 419 HG3 LYS 52 1HG LYS 52 0.210 -0.770 -11.660 420 HD2 LYS 52 2HD LYS 52 -1.972 0.377 -9.923 421 HD3 LYS 52 1HD LYS 52 -2.193 0.102 -11.643 422 HE2 LYS 52 2HE LYS 52 -3.113 -1.768 -10.476 423 HE3 LYS 52 1HE LYS 52 -1.641 -2.302 -11.265 424 HZ1 LYS 52 3HZ LYS 52 -0.537 -2.469 -9.202 425 HZ2 LYS 52 1HZ LYS 52 -2.075 -3.087 -9.005 426 HZ3 LYS 52 2HZ LYS 52 -1.700 -1.557 -8.376 427 H VAL 53 H VAL 53 0.576 0.043 -6.366 428 HA VAL 53 HA VAL 53 3.221 1.222 -6.014 429 HB VAL 53 HB VAL 53 2.755 1.961 -3.720 430 HG11 VAL 53 1HG1 VAL 53 2.790 3.623 -5.487 431 HG12 VAL 53 2HG1 VAL 53 1.569 4.051 -4.289 432 HG13 VAL 53 3HG1 VAL 53 1.084 3.331 -5.825 433 HG21 VAL 53 3HG2 VAL 53 0.418 2.353 -3.009 434 HG22 VAL 53 1HG2 VAL 53 0.791 0.640 -3.215 435 HG23 VAL 53 2HG2 VAL 53 -0.134 1.496 -4.449 436 H THR 54 H THR 54 4.540 0.296 -4.527 437 HA THR 54 HA THR 54 3.752 -2.390 -3.764 438 HB THR 54 HB THR 54 6.442 -1.016 -3.530 439 HG1 THR 54 1HG THR 54 5.068 -2.091 -5.653 440 HG21 THR 54 3HG2 THR 54 6.164 -3.038 -2.141 441 HG22 THR 54 1HG2 THR 54 7.306 -3.326 -3.453 442 HG23 THR 54 2HG2 THR 54 5.659 -3.946 -3.567 443 H VAL 55 H VAL 55 2.903 -2.563 -1.872 444 HA VAL 55 HA VAL 55 3.549 -0.589 0.171 445 HB VAL 55 HB VAL 55 1.201 -0.485 -0.618 446 HG11 VAL 55 1HG1 VAL 55 -0.422 -2.230 -0.074 447 HG12 VAL 55 2HG1 VAL 55 0.869 -3.262 0.507 448 HG13 VAL 55 3HG1 VAL 55 0.802 -2.819 -1.200 449 HG21 VAL 55 3HG2 VAL 55 1.529 -1.409 2.217 450 HG22 VAL 55 1HG2 VAL 55 0.124 -0.542 1.595 451 HG23 VAL 55 2HG2 VAL 55 1.707 0.239 1.619 452 H GLU 56 H GLU 56 4.572 -1.275 1.830 453 HA GLU 56 HA GLU 56 4.820 -4.134 2.381 454 HB2 GLU 56 2HB GLU 56 6.204 -1.715 3.524 455 HB3 GLU 56 1HB GLU 56 6.644 -3.393 3.824 456 HG2 GLU 56 2HG GLU 56 7.456 -3.692 1.661 457 HG3 GLU 56 1HG GLU 56 6.590 -2.270 1.062 458 H MET 57 H MET 57 3.658 -4.960 3.986 459 HA MET 57 HA MET 57 2.563 -3.152 6.032 460 HB2 MET 57 2HB MET 57 0.850 -5.411 5.416 461 HB3 MET 57 1HB MET 57 0.440 -3.733 5.650 462 HG2 MET 57 2HG MET 57 1.206 -3.265 3.308 463 HG3 MET 57 1HG MET 57 1.379 -4.997 3.085 464 HE1 MET 57 3HE MET 57 -2.610 -2.829 3.818 465 HE2 MET 57 1HE MET 57 -1.045 -2.032 3.668 466 HE3 MET 57 2HE MET 57 -1.401 -3.029 5.082 467 H SER 58 H SER 58 2.099 -4.194 7.975 468 HA SER 58 HA SER 58 3.947 -6.226 8.679 469 HB2 SER 58 2HB SER 58 1.582 -5.134 10.229 470 HB3 SER 58 1HB SER 58 2.952 -6.016 10.907 471 HG SER 58 HG SER 58 2.843 -3.492 10.779 472 HA PRO 59 HA PRO 59 1.485 -9.759 7.431 473 HB2 PRO 59 2HB PRO 59 2.626 -11.171 9.780 474 HB3 PRO 59 1HB PRO 59 2.735 -11.587 8.059 475 HG2 PRO 59 2HG PRO 59 4.844 -10.652 9.315 476 HG3 PRO 59 1HG PRO 59 4.478 -10.150 7.651 477 HD2 PRO 59 2HD PRO 59 4.046 -8.645 10.196 478 HD3 PRO 59 1HD PRO 59 4.644 -8.075 8.618 479 H TYR 60 H TYR 60 1.207 -8.378 10.510 480 HA TYR 60 HA TYR 60 -1.208 -9.948 11.114 481 HB2 TYR 60 2HB TYR 60 0.707 -9.966 12.760 482 HB3 TYR 60 1HB TYR 60 0.461 -8.241 12.969 483 HD1 TYR 60 2HD TYR 60 -1.350 -11.495 13.285 484 HD2 TYR 60 1HD TYR 60 -0.937 -7.500 14.696 485 HE1 TYR 60 2HE TYR 60 -2.952 -11.970 15.090 486 HE2 TYR 60 1HE TYR 60 -2.536 -7.968 16.506 487 HH TYR 60 HH TYR 60 -3.515 -11.112 17.321 488 H ASP 61 H ASP 61 -0.568 -7.335 9.436 489 HA ASP 61 HA ASP 61 -2.639 -5.695 10.733 490 HB2 ASP 61 2HB ASP 61 -0.345 -4.610 10.721 491 HB3 ASP 61 1HB ASP 61 -0.417 -4.583 8.972 492 H LEU 62 H LEU 62 -1.177 -5.490 7.530 493 HA LEU 62 HA LEU 62 -1.977 -5.324 5.469 494 HB2 LEU 62 2HB LEU 62 -3.676 -7.538 6.504 495 HB3 LEU 62 1HB LEU 62 -4.026 -6.888 4.916 496 HG LEU 62 HG LEU 62 -1.648 -7.400 4.277 497 HD11 LEU 62 1HD1 LEU 62 -1.642 -8.935 6.868 498 HD12 LEU 62 2HD1 LEU 62 -0.654 -7.526 6.482 499 HD13 LEU 62 3HD1 LEU 62 -0.420 -9.035 5.600 500 HD21 LEU 62 3HD2 LEU 62 -2.051 -9.796 3.964 501 HD22 LEU 62 1HD2 LEU 62 -3.478 -8.830 3.594 502 HD23 LEU 62 2HD2 LEU 62 -3.384 -9.715 5.117 503 H THR 63 H THR 63 -3.236 -3.542 7.519 504 HA THR 63 HA THR 63 -5.153 -2.580 5.576 505 HB THR 63 HB THR 63 -6.590 -3.296 7.296 506 HG1 THR 63 1HG THR 63 -7.115 -1.227 6.627 507 HG21 THR 63 3HG2 THR 63 -4.982 -3.657 9.081 508 HG22 THR 63 1HG2 THR 63 -6.353 -2.724 9.678 509 HG23 THR 63 2HG2 THR 63 -4.826 -1.919 9.318 510 H ARG 64 H ARG 64 -2.531 -1.900 7.655 511 HA ARG 64 HA ARG 64 -2.308 0.806 6.548 512 HB2 ARG 64 2HB ARG 64 -1.411 -0.405 9.136 513 HB3 ARG 64 1HB ARG 64 -0.546 0.964 8.499 514 HG2 ARG 64 2HG ARG 64 -2.089 1.796 10.107 515 HG3 ARG 64 1HG ARG 64 -2.777 2.200 8.541 516 HD2 ARG 64 2HD ARG 64 -4.483 1.365 10.070 517 HD3 ARG 64 1HD ARG 64 -4.273 0.273 8.702 518 HE ARG 64 HE ARG 64 -2.773 -1.025 10.304 519 HH11 ARG 64 1HH1 ARG 64 -5.649 0.718 11.366 520 HH12 ARG 64 2HH1 ARG 64 -5.917 -0.279 12.729 521 HH21 ARG 64 1HH2 ARG 64 -3.073 -2.305 11.994 522 HH22 ARG 64 2HH2 ARG 64 -4.350 -2.161 13.141 523 H GLY 65 H GLY 65 -0.450 1.245 5.420 524 HA2 GLY 65 2HA GLY 65 1.675 -0.768 5.469 525 HA3 GLY 65 1HA GLY 65 0.876 -0.448 3.939 526 H ARG 66 H ARG 66 3.483 -0.141 4.013 527 HA ARG 66 HA ARG 66 3.892 2.772 4.001 528 HB2 ARG 66 2HB ARG 66 5.062 1.536 5.872 529 HB3 ARG 66 1HB ARG 66 5.937 0.626 4.661 530 HG2 ARG 66 2HG ARG 66 6.117 3.622 4.845 531 HG3 ARG 66 1HG ARG 66 7.141 2.573 5.809 532 HD2 ARG 66 2HD ARG 66 6.961 2.620 2.816 533 HD3 ARG 66 1HD ARG 66 8.243 3.369 3.768 534 HE ARG 66 HE ARG 66 8.007 0.587 3.023 535 HH11 ARG 66 1HH1 ARG 66 9.374 2.634 5.587 536 HH12 ARG 66 2HH1 ARG 66 10.616 1.516 5.964 537 HH21 ARG 66 1HH2 ARG 66 9.665 -0.882 3.520 538 HH22 ARG 66 2HH2 ARG 66 10.791 -0.588 4.727 539 H ILE 67 H ILE 67 4.542 3.568 2.094 540 HA ILE 67 HA ILE 67 5.059 1.698 -0.082 541 HB ILE 67 HB ILE 67 4.055 4.524 -0.062 542 HG12 ILE 67 2HG1 ILE 67 3.027 2.222 -1.552 543 HG13 ILE 67 1HG1 ILE 67 2.860 2.273 0.197 544 HG21 ILE 67 1HG2 ILE 67 5.739 4.408 -1.889 545 HG22 ILE 67 2HG2 ILE 67 4.100 4.520 -2.528 546 HG23 ILE 67 3HG2 ILE 67 4.939 2.968 -2.521 547 HD11 ILE 67 3HD1 ILE 67 1.686 4.451 -0.069 548 HD12 ILE 67 1HD1 ILE 67 0.857 3.174 -0.961 549 HD13 ILE 67 2HD1 ILE 67 1.887 4.328 -1.820 550 H THR 68 H THR 68 6.765 1.408 -0.851 551 HA THR 68 HA THR 68 8.950 3.402 -0.687 552 HB THR 68 HB THR 68 10.411 1.314 -1.173 553 HG1 THR 68 1HG THR 68 8.661 -0.188 0.292 554 HG21 THR 68 3HG2 THR 68 10.508 0.904 1.267 555 HG22 THR 68 1HG2 THR 68 8.974 1.766 1.393 556 HG23 THR 68 2HG2 THR 68 10.433 2.640 0.887 557 H TYR 69 H TYR 69 7.074 1.540 -2.936 558 HA TYR 69 HA TYR 69 8.680 2.642 -5.120 559 HB2 TYR 69 2HB TYR 69 9.466 0.320 -4.691 560 HB3 TYR 69 1HB TYR 69 7.802 -0.221 -4.907 561 HD1 TYR 69 2HD TYR 69 10.494 1.605 -6.755 562 HD2 TYR 69 1HD TYR 69 7.120 -0.977 -7.001 563 HE1 TYR 69 2HE TYR 69 10.873 1.341 -9.174 564 HE2 TYR 69 1HE TYR 69 7.492 -1.245 -9.414 565 HH TYR 69 HH TYR 69 8.573 -0.044 -11.258 566 H ARG 70 H ARG 70 7.525 3.022 -6.997 567 HA ARG 70 HA ARG 70 4.708 2.321 -6.955 568 HB2 ARG 70 2HB ARG 70 5.018 4.713 -6.317 569 HB3 ARG 70 1HB ARG 70 5.801 4.935 -7.895 570 HG2 ARG 70 2HG ARG 70 3.005 3.876 -7.765 571 HG3 ARG 70 1HG ARG 70 3.287 5.606 -7.591 572 HD2 ARG 70 2HD ARG 70 4.514 4.134 -9.875 573 HD3 ARG 70 1HD ARG 70 2.811 4.543 -9.958 574 HE ARG 70 HE ARG 70 3.366 6.801 -9.731 575 HH11 ARG 70 1HH1 ARG 70 6.141 4.691 -10.456 576 HH12 ARG 70 2HH1 ARG 70 7.051 5.881 -11.255 577 HH21 ARG 70 1HH2 ARG 70 4.585 8.437 -10.802 578 HH22 ARG 70 2HH2 ARG 70 6.134 8.150 -11.460 579 H TYR 71 H TYR 71 4.092 1.401 -8.645 580 HA TYR 71 HA TYR 71 5.836 1.151 -10.973 581 HB2 TYR 71 2HB TYR 71 5.348 -0.786 -9.591 582 HB3 TYR 71 1HB TYR 71 3.636 -0.525 -9.806 583 HD1 TYR 71 2HD TYR 71 6.749 -1.538 -11.534 584 HD2 TYR 71 1HD TYR 71 2.507 -1.336 -11.799 585 HE1 TYR 71 2HE TYR 71 6.809 -2.992 -13.513 586 HE2 TYR 71 1HE TYR 71 2.555 -2.797 -13.777 587 HH TYR 71 HH TYR 71 5.293 -4.566 -14.675 588 H LYS 72 H LYS 72 4.688 1.427 -13.085 589 HA LYS 72 HA LYS 72 2.131 2.667 -12.665 590 HB2 LYS 72 2HB LYS 72 3.871 4.356 -13.280 591 HB3 LYS 72 1HB LYS 72 4.122 3.486 -14.789 592 HG2 LYS 72 2HG LYS 72 2.655 5.441 -15.078 593 HG3 LYS 72 1HG LYS 72 1.834 3.924 -15.465 594 HD2 LYS 72 2HD LYS 72 0.780 3.910 -13.257 595 HD3 LYS 72 1HD LYS 72 1.621 5.402 -12.835 596 HE2 LYS 72 2HE LYS 72 0.405 6.546 -14.614 597 HE3 LYS 72 1HE LYS 72 -0.411 5.036 -15.026 598 HZ1 LYS 72 3HZ LYS 72 -1.749 6.495 -13.532 599 HZ2 LYS 72 1HZ LYS 72 -0.518 6.360 -12.391 600 HZ3 LYS 72 2HZ LYS 72 -1.390 4.997 -12.813 Start of MODEL 17 1 H1 MET 1 1HT MET 1 10.009 -8.268 -1.216 2 H2 MET 1 2HT MET 1 8.354 -8.194 -1.595 3 H3 MET 1 3HT MET 1 9.150 -6.902 -0.827 4 HA MET 1 HA MET 1 9.834 -7.836 -3.520 5 HB2 MET 1 2HB MET 1 8.363 -5.306 -2.711 6 HB3 MET 1 1HB MET 1 8.836 -5.743 -4.344 7 HG2 MET 1 2HG MET 1 6.740 -7.033 -2.620 8 HG3 MET 1 1HG MET 1 6.514 -6.159 -4.132 9 HE1 MET 1 2HE MET 1 5.497 -9.768 -5.160 10 HE2 MET 1 3HE MET 1 5.039 -8.065 -5.154 11 HE3 MET 1 1HE MET 1 5.163 -8.950 -3.633 12 H ALA 2 H ALA 2 9.918 -4.835 -1.517 13 HA ALA 2 HA ALA 2 12.611 -4.352 -2.382 14 HB1 ALA 2 1HB ALA 2 12.438 -2.387 -0.890 15 HB2 ALA 2 2HB ALA 2 10.881 -2.978 -0.305 16 HB3 ALA 2 3HB ALA 2 11.060 -2.478 -1.988 17 H LYS 3 H LYS 3 10.865 -5.628 0.362 18 HA LYS 3 HA LYS 3 13.399 -6.571 1.423 19 HB2 LYS 3 2HB LYS 3 11.066 -5.480 3.018 20 HB3 LYS 3 1HB LYS 3 12.406 -6.361 3.732 21 HG2 LYS 3 2HG LYS 3 13.929 -4.591 2.798 22 HG3 LYS 3 1HG LYS 3 12.491 -3.690 2.352 23 HD2 LYS 3 2HD LYS 3 13.198 -4.516 5.185 24 HD3 LYS 3 1HD LYS 3 13.561 -2.944 4.495 25 HE2 LYS 3 2HE LYS 3 11.623 -2.534 5.709 26 HE3 LYS 3 1HE LYS 3 10.997 -2.803 4.091 27 HZ1 LYS 3 3HZ LYS 3 10.482 -5.144 4.831 28 HZ2 LYS 3 1HZ LYS 3 9.648 -3.955 5.706 29 HZ3 LYS 3 2HZ LYS 3 11.006 -4.777 6.327 30 H GLN 4 H GLN 4 12.676 -8.372 3.234 31 HA GLN 4 HA GLN 4 10.632 -10.123 2.068 32 HB2 GLN 4 2HB GLN 4 13.527 -10.922 2.484 33 HB3 GLN 4 1HB GLN 4 12.231 -12.056 2.139 34 HG2 GLN 4 2HG GLN 4 11.861 -10.984 -0.024 35 HG3 GLN 4 1HG GLN 4 13.140 -9.826 0.327 36 HE21 GLN 4 1HE2 GLN 4 15.274 -10.505 0.248 37 HE22 GLN 4 2HE2 GLN 4 15.713 -12.011 -0.492 38 H ASP 5 H ASP 5 11.224 -8.533 4.543 39 HA ASP 5 HA ASP 5 11.249 -10.548 6.652 40 HB2 ASP 5 2HB ASP 5 11.536 -8.515 8.123 41 HB3 ASP 5 1HB ASP 5 12.844 -8.712 6.958 42 H VAL 6 H VAL 6 9.583 -7.889 5.418 43 HA VAL 6 HA VAL 6 7.052 -8.590 6.786 44 HB VAL 6 HB VAL 6 7.845 -5.956 5.442 45 HG11 VAL 6 1HG1 VAL 6 5.938 -4.984 6.631 46 HG12 VAL 6 2HG1 VAL 6 5.522 -6.576 7.264 47 HG13 VAL 6 3HG1 VAL 6 5.430 -6.263 5.531 48 HG21 VAL 6 3HG2 VAL 6 8.103 -5.029 7.695 49 HG22 VAL 6 1HG2 VAL 6 9.246 -6.335 7.385 50 HG23 VAL 6 2HG2 VAL 6 7.822 -6.630 8.381 51 H ILE 7 H ILE 7 5.119 -8.119 5.351 52 HA ILE 7 HA ILE 7 5.672 -9.491 2.825 53 HB ILE 7 HB ILE 7 3.042 -9.232 4.328 54 HG12 ILE 7 2HG1 ILE 7 4.909 -11.610 4.071 55 HG13 ILE 7 1HG1 ILE 7 4.693 -10.638 5.520 56 HG21 ILE 7 1HG2 ILE 7 2.215 -10.942 2.758 57 HG22 ILE 7 2HG2 ILE 7 3.756 -10.892 1.904 58 HG23 ILE 7 3HG2 ILE 7 2.712 -9.471 1.918 59 HD11 ILE 7 3HD1 ILE 7 2.605 -12.362 4.202 60 HD12 ILE 7 1HD1 ILE 7 2.352 -11.370 5.637 61 HD13 ILE 7 2HD1 ILE 7 3.479 -12.725 5.689 62 H GLU 8 H GLU 8 5.591 -8.363 1.108 63 HA GLU 8 HA GLU 8 4.253 -5.773 1.077 64 HB2 GLU 8 2HB GLU 8 6.489 -6.911 -0.564 65 HB3 GLU 8 1HB GLU 8 5.680 -5.401 -0.966 66 HG2 GLU 8 2HG GLU 8 6.424 -4.396 1.047 67 HG3 GLU 8 1HG GLU 8 7.058 -5.930 1.653 68 H LEU 9 H LEU 9 2.571 -5.499 -0.024 69 HA LEU 9 HA LEU 9 1.805 -7.338 -2.205 70 HB2 LEU 9 2HB LEU 9 -0.041 -5.844 -0.322 71 HB3 LEU 9 1HB LEU 9 -0.519 -6.943 -1.590 72 HG LEU 9 HG LEU 9 0.803 -7.658 1.034 73 HD11 LEU 9 1HD1 LEU 9 -1.529 -7.137 1.235 74 HD12 LEU 9 2HD1 LEU 9 -1.285 -8.878 1.408 75 HD13 LEU 9 3HD1 LEU 9 -1.918 -8.222 -0.098 76 HD21 LEU 9 3HD2 LEU 9 1.665 -9.109 -0.755 77 HD22 LEU 9 1HD2 LEU 9 0.014 -9.469 -1.262 78 HD23 LEU 9 2HD2 LEU 9 0.586 -9.996 0.320 79 H GLU 10 H GLU 10 0.478 -6.145 -3.840 80 HA GLU 10 HA GLU 10 1.217 -3.323 -3.758 81 HB2 GLU 10 2HB GLU 10 0.633 -4.991 -6.189 82 HB3 GLU 10 1HB GLU 10 0.975 -3.273 -6.188 83 HG2 GLU 10 2HG GLU 10 3.185 -3.979 -5.040 84 HG3 GLU 10 1HG GLU 10 2.804 -5.567 -5.715 85 H GLY 11 H GLY 11 -0.241 -1.892 -4.939 86 HA2 GLY 11 2HA GLY 11 -2.921 -2.740 -5.353 87 HA3 GLY 11 1HA GLY 11 -2.751 -1.747 -3.915 88 H THR 12 H THR 12 -4.281 -0.833 -5.747 89 HA THR 12 HA THR 12 -2.773 1.139 -7.321 90 HB THR 12 HB THR 12 -5.698 0.442 -7.466 91 HG1 THR 12 1HG THR 12 -4.925 -1.378 -8.300 92 HG21 THR 12 3HG2 THR 12 -3.836 1.803 -9.432 93 HG22 THR 12 1HG2 THR 12 -5.040 2.606 -8.428 94 HG23 THR 12 2HG2 THR 12 -5.554 1.492 -9.700 95 H VAL 13 H VAL 13 -2.897 3.189 -6.614 96 HA VAL 13 HA VAL 13 -4.549 3.637 -4.274 97 HB VAL 13 HB VAL 13 -2.299 4.314 -3.904 98 HG11 VAL 13 1HG1 VAL 13 -1.189 5.945 -5.225 99 HG12 VAL 13 2HG1 VAL 13 -2.526 5.895 -6.406 100 HG13 VAL 13 3HG1 VAL 13 -1.555 4.437 -6.055 101 HG21 VAL 13 3HG2 VAL 13 -2.472 6.705 -3.398 102 HG22 VAL 13 1HG2 VAL 13 -3.940 5.844 -2.925 103 HG23 VAL 13 2HG2 VAL 13 -3.929 6.805 -4.395 104 H LEU 14 H LEU 14 -6.241 4.873 -4.140 105 HA LEU 14 HA LEU 14 -7.071 6.062 -6.649 106 HB2 LEU 14 2HB LEU 14 -9.395 5.871 -5.936 107 HB3 LEU 14 1HB LEU 14 -8.558 4.336 -5.950 108 HG LEU 14 HG LEU 14 -9.009 5.823 -3.362 109 HD11 LEU 14 1HD1 LEU 14 -11.035 4.474 -3.074 110 HD12 LEU 14 2HD1 LEU 14 -10.850 3.843 -4.711 111 HD13 LEU 14 3HD1 LEU 14 -11.185 5.555 -4.459 112 HD21 LEU 14 3HD2 LEU 14 -7.428 3.945 -3.287 113 HD22 LEU 14 1HD2 LEU 14 -8.629 2.905 -4.060 114 HD23 LEU 14 2HD2 LEU 14 -8.920 3.536 -2.444 115 H ASP 15 H ASP 15 -6.505 6.863 -3.286 116 HA ASP 15 HA ASP 15 -7.087 9.629 -3.955 117 HB2 ASP 15 2HB ASP 15 -9.191 8.860 -3.080 118 HB3 ASP 15 1HB ASP 15 -8.333 8.145 -1.702 119 H THR 16 H THR 16 -6.461 11.052 -2.324 120 HA THR 16 HA THR 16 -3.822 10.309 -1.207 121 HB THR 16 HB THR 16 -3.271 12.748 -1.510 122 HG1 THR 16 1HG THR 16 -5.807 13.002 -1.846 123 HG21 THR 16 3HG2 THR 16 -2.952 12.578 -3.933 124 HG22 THR 16 1HG2 THR 16 -4.146 11.276 -3.966 125 HG23 THR 16 2HG2 THR 16 -2.608 11.029 -3.141 126 H LEU 17 H LEU 17 -3.635 10.466 1.006 127 HA LEU 17 HA LEU 17 -5.765 11.925 2.370 128 HB2 LEU 17 2HB LEU 17 -3.962 9.784 3.427 129 HB3 LEU 17 1HB LEU 17 -5.292 10.505 4.322 130 HG LEU 17 HG LEU 17 -5.318 8.461 2.108 131 HD11 LEU 17 1HD1 LEU 17 -6.663 7.224 3.643 132 HD12 LEU 17 2HD1 LEU 17 -6.466 8.495 4.852 133 HD13 LEU 17 3HD1 LEU 17 -5.061 7.595 4.272 134 HD21 LEU 17 3HD2 LEU 17 -7.790 8.639 2.064 135 HD22 LEU 17 1HD2 LEU 17 -7.029 10.122 1.482 136 HD23 LEU 17 2HD2 LEU 17 -7.692 10.051 3.112 137 HA PRO 18 HA PRO 18 -2.852 14.923 3.927 138 HB2 PRO 18 2HB PRO 18 -4.109 14.512 6.590 139 HB3 PRO 18 1HB PRO 18 -3.920 16.012 5.659 140 HG2 PRO 18 2HG PRO 18 -6.283 14.877 5.849 141 HG3 PRO 18 1HG PRO 18 -5.737 15.597 4.320 142 HD2 PRO 18 2HD PRO 18 -5.898 12.720 5.080 143 HD3 PRO 18 1HD PRO 18 -6.251 13.515 3.531 144 H ASN 19 H ASN 19 -0.986 15.108 5.066 145 HA ASN 19 HA ASN 19 0.886 14.669 6.259 146 HB2 ASN 19 2HB ASN 19 -0.903 14.127 8.105 147 HB3 ASN 19 1HB ASN 19 -0.468 12.452 7.801 148 HD21 ASN 19 1HD2 ASN 19 -0.146 13.904 10.233 149 HD22 ASN 19 2HD2 ASN 19 1.534 13.927 10.618 150 H ALA 20 H ALA 20 0.168 13.221 3.849 151 HA ALA 20 HA ALA 20 1.287 11.919 2.377 152 HB1 ALA 20 1HB ALA 20 3.363 12.642 3.537 153 HB2 ALA 20 2HB ALA 20 3.484 11.022 2.864 154 HB3 ALA 20 3HB ALA 20 3.228 11.238 4.598 155 H MET 21 H MET 21 -0.867 11.010 4.038 156 HA MET 21 HA MET 21 -0.509 8.118 4.089 157 HB2 MET 21 2HB MET 21 -2.689 10.010 4.916 158 HB3 MET 21 1HB MET 21 -3.090 8.332 4.547 159 HG2 MET 21 2HG MET 21 -2.945 8.672 6.870 160 HG3 MET 21 1HG MET 21 -1.641 7.648 6.285 161 HE1 MET 21 3HE MET 21 -1.984 9.360 9.175 162 HE2 MET 21 1HE MET 21 -0.300 9.806 9.450 163 HE3 MET 21 2HE MET 21 -0.704 8.177 8.905 164 H PHE 22 H PHE 22 -1.735 6.812 2.634 165 HA PHE 22 HA PHE 22 -3.140 8.259 0.549 166 HB2 PHE 22 2HB PHE 22 -0.928 6.243 0.073 167 HB3 PHE 22 1HB PHE 22 -2.143 6.588 -1.149 168 HD1 PHE 22 2HD PHE 22 0.615 8.044 0.824 169 HD2 PHE 22 1HD PHE 22 -2.021 8.555 -2.468 170 HE1 PHE 22 2HE PHE 22 1.946 9.965 0.060 171 HE2 PHE 22 1HE PHE 22 -0.683 10.476 -3.236 172 HZ PHE 22 HZ PHE 22 1.292 11.182 -1.971 173 H LYS 23 H LYS 23 -4.855 7.238 -0.325 174 HA LYS 23 HA LYS 23 -5.843 4.953 1.201 175 HB2 LYS 23 2HB LYS 23 -7.258 7.006 0.877 176 HB3 LYS 23 1HB LYS 23 -7.176 6.730 -0.853 177 HG2 LYS 23 2HG LYS 23 -8.353 4.569 -0.515 178 HG3 LYS 23 1HG LYS 23 -8.525 4.977 1.196 179 HD2 LYS 23 2HD LYS 23 -9.758 7.016 0.582 180 HD3 LYS 23 1HD LYS 23 -9.588 6.600 -1.122 181 HE2 LYS 23 2HE LYS 23 -11.783 5.971 -0.404 182 HE3 LYS 23 1HE LYS 23 -10.844 4.509 -0.682 183 HZ1 LYS 23 3HZ LYS 23 -10.499 4.301 1.690 184 HZ2 LYS 23 1HZ LYS 23 -12.085 4.288 1.320 185 HZ3 LYS 23 2HZ LYS 23 -11.410 5.673 2.024 186 H VAL 24 H VAL 24 -5.068 3.183 0.344 187 HA VAL 24 HA VAL 24 -4.897 3.006 -2.612 188 HB VAL 24 HB VAL 24 -3.168 1.399 -0.704 189 HG11 VAL 24 1HG1 VAL 24 -3.339 0.398 -2.849 190 HG12 VAL 24 2HG1 VAL 24 -1.713 1.026 -2.583 191 HG13 VAL 24 3HG1 VAL 24 -2.837 1.901 -3.622 192 HG21 VAL 24 3HG2 VAL 24 -1.307 2.952 -1.234 193 HG22 VAL 24 1HG2 VAL 24 -2.597 3.688 -0.280 194 HG23 VAL 24 2HG2 VAL 24 -2.484 4.028 -1.995 195 H GLU 25 H GLU 25 -5.523 1.108 -3.650 196 HA GLU 25 HA GLU 25 -7.214 -0.656 -2.045 197 HB2 GLU 25 2HB GLU 25 -8.378 0.786 -3.681 198 HB3 GLU 25 1HB GLU 25 -7.359 0.142 -4.956 199 HG2 GLU 25 2HG GLU 25 -8.326 -2.081 -4.560 200 HG3 GLU 25 1HG GLU 25 -9.386 -1.376 -3.337 201 H LEU 26 H LEU 26 -6.265 -2.536 -1.783 202 HA LEU 26 HA LEU 26 -3.948 -3.488 -3.128 203 HB2 LEU 26 2HB LEU 26 -6.021 -4.962 -1.517 204 HB3 LEU 26 1HB LEU 26 -4.587 -5.724 -2.157 205 HG LEU 26 HG LEU 26 -4.581 -3.472 -0.146 206 HD11 LEU 26 1HD1 LEU 26 -5.551 -5.533 0.770 207 HD12 LEU 26 2HD1 LEU 26 -3.956 -5.226 1.455 208 HD13 LEU 26 3HD1 LEU 26 -4.154 -6.445 0.197 209 HD21 LEU 26 3HD2 LEU 26 -2.395 -5.269 -1.198 210 HD22 LEU 26 1HD2 LEU 26 -2.218 -4.129 0.133 211 HD23 LEU 26 2HD2 LEU 26 -2.555 -3.538 -1.489 212 H GLU 27 H GLU 27 -3.759 -5.430 -4.404 213 HA GLU 27 HA GLU 27 -5.134 -5.642 -6.794 214 HB2 GLU 27 2HB GLU 27 -3.975 -8.033 -5.356 215 HB3 GLU 27 1HB GLU 27 -4.061 -7.761 -7.083 216 HG2 GLU 27 2HG GLU 27 -2.303 -6.221 -5.171 217 HG3 GLU 27 1HG GLU 27 -1.786 -7.583 -6.145 218 H ASN 28 H ASN 28 -6.076 -6.717 -3.716 219 HA ASN 28 HA ASN 28 -7.948 -8.815 -4.482 220 HB2 ASN 28 2HB ASN 28 -6.595 -8.996 -2.436 221 HB3 ASN 28 1HB ASN 28 -7.328 -7.534 -1.812 222 HD21 ASN 28 1HD2 ASN 28 -9.043 -10.207 -3.436 223 HD22 ASN 28 2HD2 ASN 28 -9.942 -10.649 -2.032 224 H GLY 29 H GLY 29 -8.122 -5.400 -4.404 225 HA2 GLY 29 2HA GLY 29 -9.992 -4.076 -4.749 226 HA3 GLY 29 1HA GLY 29 -11.018 -5.477 -4.465 227 H HIS 30 H HIS 30 -8.733 -5.148 -2.094 228 HA HIS 30 HA HIS 30 -10.689 -4.125 -0.146 229 HB2 HIS 30 2HB HIS 30 -8.985 -6.183 0.111 230 HB3 HIS 30 1HB HIS 30 -7.912 -4.813 0.418 231 HD1 HIS 30 1HD HIS 30 -8.407 -3.267 2.610 232 HD2 HIS 30 2HD HIS 30 -10.498 -6.880 2.382 233 HE1 HIS 30 1HE HIS 30 -9.189 -3.716 4.892 234 HE2 HIS 30 2HE HIS 30 -10.182 -6.009 4.802 235 H GLU 31 H GLU 31 -10.293 -2.119 0.822 236 HA GLU 31 HA GLU 31 -8.098 -0.639 -0.352 237 HB2 GLU 31 2HB GLU 31 -9.132 1.390 0.427 238 HB3 GLU 31 1HB GLU 31 -10.343 0.447 -0.418 239 HG2 GLU 31 2HG GLU 31 -11.523 -0.000 1.509 240 HG3 GLU 31 1HG GLU 31 -10.115 0.252 2.548 241 H ILE 32 H ILE 32 -6.728 0.493 0.936 242 HA ILE 32 HA ILE 32 -6.502 -0.415 3.687 243 HB ILE 32 HB ILE 32 -4.055 -0.840 3.271 244 HG12 ILE 32 2HG1 ILE 32 -4.875 -0.847 0.385 245 HG13 ILE 32 1HG1 ILE 32 -4.071 0.535 1.133 246 HG21 ILE 32 1HG2 ILE 32 -4.369 -3.077 2.411 247 HG22 ILE 32 2HG2 ILE 32 -5.771 -2.552 1.500 248 HG23 ILE 32 3HG2 ILE 32 -5.884 -2.650 3.241 249 HD11 ILE 32 3HD1 ILE 32 -2.946 -2.241 0.824 250 HD12 ILE 32 1HD1 ILE 32 -2.126 -0.890 1.604 251 HD13 ILE 32 2HD1 ILE 32 -2.492 -0.824 -0.121 252 H LEU 33 H LEU 33 -5.302 1.023 4.920 253 HA LEU 33 HA LEU 33 -4.843 3.613 3.608 254 HB2 LEU 33 2HB LEU 33 -5.021 2.918 6.541 255 HB3 LEU 33 1HB LEU 33 -4.893 4.531 5.866 256 HG LEU 33 HG LEU 33 -7.221 2.675 5.436 257 HD11 LEU 33 1HD1 LEU 33 -7.084 3.396 7.772 258 HD12 LEU 33 2HD1 LEU 33 -8.440 4.184 6.964 259 HD13 LEU 33 3HD1 LEU 33 -6.949 5.076 7.256 260 HD21 LEU 33 3HD2 LEU 33 -8.354 4.677 4.573 261 HD22 LEU 33 1HD2 LEU 33 -6.931 4.258 3.615 262 HD23 LEU 33 2HD2 LEU 33 -6.858 5.586 4.775 263 H ALA 34 H ALA 34 -2.837 4.087 3.205 264 HA ALA 34 HA ALA 34 -0.761 2.668 4.700 265 HB1 ALA 34 1HB ALA 34 -1.160 1.534 2.575 266 HB2 ALA 34 2HB ALA 34 0.444 2.260 2.643 267 HB3 ALA 34 3HB ALA 34 -0.839 3.040 1.714 268 H HIS 35 H HIS 35 1.332 3.660 4.534 269 HA HIS 35 HA HIS 35 1.137 6.575 4.072 270 HB2 HIS 35 2HB HIS 35 1.381 5.722 6.511 271 HB3 HIS 35 1HB HIS 35 3.019 5.287 6.044 272 HD1 HIS 35 1HD HIS 35 4.647 7.384 5.398 273 HD2 HIS 35 2HD HIS 35 0.956 8.340 7.036 274 HE1 HIS 35 1HE HIS 35 4.828 9.751 6.137 275 HE2 HIS 35 2HE HIS 35 2.422 10.354 6.673 276 H VAL 36 H VAL 36 2.930 7.497 3.050 277 HA VAL 36 HA VAL 36 4.634 5.653 1.651 278 HB VAL 36 HB VAL 36 5.620 7.624 0.534 279 HG11 VAL 36 1HG1 VAL 36 3.624 8.191 -0.739 280 HG12 VAL 36 2HG1 VAL 36 2.636 7.439 0.517 281 HG13 VAL 36 3HG1 VAL 36 3.768 6.463 -0.422 282 HG21 VAL 36 3HG2 VAL 36 3.572 9.155 2.108 283 HG22 VAL 36 1HG2 VAL 36 4.566 9.816 0.809 284 HG23 VAL 36 2HG2 VAL 36 5.323 9.271 2.310 285 H SER 37 H SER 37 6.857 5.583 1.640 286 HA SER 37 HA SER 37 8.118 5.809 4.144 287 HB2 SER 37 2HB SER 37 10.148 5.202 2.949 288 HB3 SER 37 1HB SER 37 8.827 4.267 2.252 289 HG SER 37 HG SER 37 9.465 5.086 0.448 290 H GLY 38 H GLY 38 9.980 7.243 4.589 291 HA2 GLY 38 2HA GLY 38 9.409 9.946 4.262 292 HA3 GLY 38 1HA GLY 38 10.953 9.290 4.780 293 H LYS 39 H LYS 39 10.951 7.781 2.022 294 HA LYS 39 HA LYS 39 12.555 9.839 0.822 295 HB2 LYS 39 2HB LYS 39 13.344 7.513 0.803 296 HB3 LYS 39 1HB LYS 39 11.940 7.039 -0.144 297 HG2 LYS 39 2HG LYS 39 12.683 8.399 -1.996 298 HG3 LYS 39 1HG LYS 39 14.036 8.996 -1.045 299 HD2 LYS 39 2HD LYS 39 14.972 6.751 -0.934 300 HD3 LYS 39 1HD LYS 39 13.596 6.121 -1.847 301 HE2 LYS 39 2HE LYS 39 15.592 6.490 -3.263 302 HE3 LYS 39 1HE LYS 39 14.208 7.458 -3.767 303 HZ1 LYS 39 3HZ LYS 39 16.447 8.467 -2.088 304 HZ2 LYS 39 1HZ LYS 39 15.159 9.379 -2.697 305 HZ3 LYS 39 2HZ LYS 39 16.300 8.727 -3.755 306 H ILE 40 H ILE 40 9.500 8.275 0.218 307 HA ILE 40 HA ILE 40 9.115 9.549 -2.315 308 HB ILE 40 HB ILE 40 7.278 7.954 -0.521 309 HG12 ILE 40 2HG1 ILE 40 8.657 7.287 -3.125 310 HG13 ILE 40 1HG1 ILE 40 9.132 6.726 -1.529 311 HG21 ILE 40 1HG2 ILE 40 6.693 8.956 -3.316 312 HG22 ILE 40 2HG2 ILE 40 5.900 9.501 -1.838 313 HG23 ILE 40 3HG2 ILE 40 5.685 7.841 -2.391 314 HD11 ILE 40 3HD1 ILE 40 7.973 5.005 -2.765 315 HD12 ILE 40 1HD1 ILE 40 6.577 6.064 -2.962 316 HD13 ILE 40 2HD1 ILE 40 7.034 5.498 -1.356 317 H ARG 41 H ARG 41 8.326 10.195 0.978 318 HA ARG 41 HA ARG 41 6.485 12.303 0.499 319 HB2 ARG 41 2HB ARG 41 6.581 11.208 2.684 320 HB3 ARG 41 1HB ARG 41 8.231 11.764 2.919 321 HG2 ARG 41 2HG ARG 41 7.474 14.070 3.020 322 HG3 ARG 41 1HG ARG 41 5.821 13.564 2.674 323 HD2 ARG 41 2HD ARG 41 5.750 12.312 4.765 324 HD3 ARG 41 1HD ARG 41 7.423 12.751 5.104 325 HE ARG 41 HE ARG 41 6.519 15.126 4.997 326 HH11 ARG 41 1HH1 ARG 41 4.618 12.414 6.260 327 HH12 ARG 41 2HH1 ARG 41 3.710 13.337 7.364 328 HH21 ARG 41 1HH2 ARG 41 5.274 16.428 6.581 329 HH22 ARG 41 2HH2 ARG 41 4.123 15.651 7.564 330 H MET 42 H MET 42 9.985 12.209 1.061 331 HA MET 42 HA MET 42 10.273 15.046 0.835 332 HB2 MET 42 2HB MET 42 12.381 12.895 0.873 333 HB3 MET 42 1HB MET 42 12.712 14.618 0.893 334 HG2 MET 42 2HG MET 42 11.255 13.048 3.008 335 HG3 MET 42 1HG MET 42 12.892 13.686 3.116 336 HE1 MET 42 3HE MET 42 12.372 14.849 5.414 337 HE2 MET 42 1HE MET 42 10.738 14.186 5.369 338 HE3 MET 42 2HE MET 42 10.985 15.902 5.696 339 H ASN 43 H ASN 43 10.896 12.344 -1.399 340 HA ASN 43 HA ASN 43 12.141 14.200 -3.247 341 HB2 ASN 43 2HB ASN 43 11.835 11.200 -3.434 342 HB3 ASN 43 1HB ASN 43 12.577 12.175 -4.690 343 HD21 ASN 43 1HD2 ASN 43 13.807 13.939 -2.537 344 HD22 ASN 43 2HD2 ASN 43 15.135 13.027 -1.951 345 H TYR 44 H TYR 44 11.646 13.401 -5.709 346 HA TYR 44 HA TYR 44 9.001 14.471 -6.124 347 HB2 TYR 44 2HB TYR 44 9.685 14.769 -8.452 348 HB3 TYR 44 1HB TYR 44 10.885 15.438 -7.360 349 HD1 TYR 44 2HD TYR 44 13.074 14.245 -7.060 350 HD2 TYR 44 1HD TYR 44 10.217 12.993 -9.957 351 HE1 TYR 44 2HE TYR 44 14.817 12.944 -8.216 352 HE2 TYR 44 1HE TYR 44 11.949 11.695 -11.117 353 HH TYR 44 HH TYR 44 14.993 11.023 -9.765 354 H ILE 45 H ILE 45 10.089 11.447 -5.703 355 HA ILE 45 HA ILE 45 8.605 10.148 -7.832 356 HB ILE 45 HB ILE 45 9.273 8.012 -6.659 357 HG12 ILE 45 2HG1 ILE 45 10.901 9.870 -4.889 358 HG13 ILE 45 1HG1 ILE 45 9.482 8.970 -4.372 359 HG21 ILE 45 1HG2 ILE 45 11.649 8.152 -7.285 360 HG22 ILE 45 2HG2 ILE 45 11.501 9.906 -7.393 361 HG23 ILE 45 3HG2 ILE 45 10.588 8.876 -8.495 362 HD11 ILE 45 3HD1 ILE 45 12.095 7.792 -5.300 363 HD12 ILE 45 1HD1 ILE 45 10.672 6.873 -4.802 364 HD13 ILE 45 2HD1 ILE 45 11.516 7.886 -3.635 365 H ARG 46 H ARG 46 6.865 11.540 -6.898 366 HA ARG 46 HA ARG 46 5.606 10.672 -4.455 367 HB2 ARG 46 2HB ARG 46 4.613 12.799 -6.348 368 HB3 ARG 46 1HB ARG 46 4.279 12.636 -4.624 369 HG2 ARG 46 2HG ARG 46 6.692 13.008 -4.177 370 HG3 ARG 46 1HG ARG 46 6.921 13.316 -5.890 371 HD2 ARG 46 2HD ARG 46 6.776 15.425 -4.879 372 HD3 ARG 46 1HD ARG 46 5.198 15.164 -5.622 373 HE ARG 46 HE ARG 46 4.248 15.167 -3.590 374 HH11 ARG 46 1HH1 ARG 46 7.766 14.603 -3.090 375 HH12 ARG 46 2HH1 ARG 46 7.716 14.952 -1.445 376 HH21 ARG 46 1HH2 ARG 46 4.277 15.713 -1.224 377 HH22 ARG 46 2HH2 ARG 46 5.776 15.606 -0.395 378 H ILE 47 H ILE 47 3.461 10.033 -4.299 379 HA ILE 47 HA ILE 47 2.616 8.314 -6.467 380 HB ILE 47 HB ILE 47 1.669 8.579 -3.607 381 HG12 ILE 47 2HG1 ILE 47 3.366 6.476 -4.954 382 HG13 ILE 47 1HG1 ILE 47 3.914 7.673 -3.779 383 HG21 ILE 47 1HG2 ILE 47 0.920 6.553 -5.695 384 HG22 ILE 47 2HG2 ILE 47 -0.123 7.814 -5.028 385 HG23 ILE 47 3HG2 ILE 47 0.461 6.504 -3.991 386 HD11 ILE 47 3HD1 ILE 47 2.529 6.668 -2.084 387 HD12 ILE 47 1HD1 ILE 47 3.618 5.476 -2.785 388 HD13 ILE 47 2HD1 ILE 47 1.907 5.500 -3.239 389 H LEU 48 H LEU 48 0.850 8.690 -7.683 390 HA LEU 48 HA LEU 48 -0.993 10.778 -6.887 391 HB2 LEU 48 2HB LEU 48 0.311 10.360 -9.534 392 HB3 LEU 48 1HB LEU 48 -1.354 10.901 -9.521 393 HG LEU 48 HG LEU 48 -0.652 12.795 -8.090 394 HD11 LEU 48 1HD1 LEU 48 1.463 11.950 -7.234 395 HD12 LEU 48 2HD1 LEU 48 1.730 13.465 -8.097 396 HD13 LEU 48 3HD1 LEU 48 2.141 11.928 -8.862 397 HD21 LEU 48 3HD2 LEU 48 -1.075 13.107 -10.440 398 HD22 LEU 48 1HD2 LEU 48 0.570 12.612 -10.838 399 HD23 LEU 48 2HD2 LEU 48 0.291 14.112 -9.953 400 HA PRO 49 HA PRO 49 -4.307 7.845 -6.973 401 HB2 PRO 49 2HB PRO 49 -5.640 10.032 -8.526 402 HB3 PRO 49 1HB PRO 49 -6.254 9.117 -7.130 403 HG2 PRO 49 2HG PRO 49 -5.404 11.563 -6.770 404 HG3 PRO 49 1HG PRO 49 -4.983 10.292 -5.603 405 HD2 PRO 49 2HD PRO 49 -3.268 11.580 -7.651 406 HD3 PRO 49 1HD PRO 49 -2.863 10.967 -6.034 407 H GLY 50 H GLY 50 -4.554 6.195 -8.320 408 HA2 GLY 50 2HA GLY 50 -5.283 5.280 -10.404 409 HA3 GLY 50 1HA GLY 50 -4.534 6.648 -11.222 410 H ASP 51 H ASP 51 -2.292 6.180 -9.103 411 HA ASP 51 HA ASP 51 -0.712 4.532 -10.867 412 HB2 ASP 51 2HB ASP 51 -0.099 6.698 -9.249 413 HB3 ASP 51 1HB ASP 51 0.591 5.312 -8.400 414 H LYS 52 H LYS 52 0.702 2.852 -9.977 415 HA LYS 52 HA LYS 52 -0.803 1.158 -8.061 416 HB2 LYS 52 2HB LYS 52 -0.508 0.411 -10.518 417 HB3 LYS 52 1HB LYS 52 1.189 0.206 -10.127 418 HG2 LYS 52 2HG LYS 52 0.544 -1.438 -8.380 419 HG3 LYS 52 1HG LYS 52 -1.136 -1.278 -8.901 420 HD2 LYS 52 2HD LYS 52 -0.314 -1.882 -11.233 421 HD3 LYS 52 1HD LYS 52 1.203 -2.347 -10.468 422 HE2 LYS 52 2HE LYS 52 -1.530 -3.524 -9.939 423 HE3 LYS 52 1HE LYS 52 -0.208 -4.290 -10.806 424 HZ1 LYS 52 3HZ LYS 52 -0.322 -3.646 -7.919 425 HZ2 LYS 52 1HZ LYS 52 1.066 -4.305 -8.665 426 HZ3 LYS 52 2HZ LYS 52 -0.434 -5.118 -8.612 427 H VAL 53 H VAL 53 0.332 0.588 -6.208 428 HA VAL 53 HA VAL 53 3.218 1.080 -6.241 429 HB VAL 53 HB VAL 53 3.145 2.183 -4.028 430 HG11 VAL 53 1HG1 VAL 53 2.388 4.378 -4.836 431 HG12 VAL 53 2HG1 VAL 53 1.549 3.593 -6.170 432 HG13 VAL 53 3HG1 VAL 53 3.305 3.525 -6.077 433 HG21 VAL 53 3HG2 VAL 53 1.009 3.122 -3.209 434 HG22 VAL 53 1HG2 VAL 53 0.988 1.357 -3.234 435 HG23 VAL 53 2HG2 VAL 53 0.157 2.268 -4.495 436 H THR 54 H THR 54 4.399 0.181 -4.416 437 HA THR 54 HA THR 54 3.311 -2.403 -3.659 438 HB THR 54 HB THR 54 6.123 -1.363 -3.341 439 HG1 THR 54 1HG THR 54 4.936 -2.470 -5.764 440 HG21 THR 54 3HG2 THR 54 4.995 -4.140 -3.766 441 HG22 THR 54 1HG2 THR 54 5.561 -3.477 -2.233 442 HG23 THR 54 2HG2 THR 54 6.699 -3.744 -3.552 443 H VAL 55 H VAL 55 2.856 -2.806 -1.503 444 HA VAL 55 HA VAL 55 3.649 -0.792 0.492 445 HB VAL 55 HB VAL 55 1.247 -0.573 -0.158 446 HG11 VAL 55 1HG1 VAL 55 0.684 -2.879 -0.712 447 HG12 VAL 55 2HG1 VAL 55 -0.418 -2.254 0.511 448 HG13 VAL 55 3HG1 VAL 55 0.857 -3.350 0.977 449 HG21 VAL 55 3HG2 VAL 55 1.689 -1.527 2.655 450 HG22 VAL 55 1HG2 VAL 55 0.302 -0.586 2.105 451 HG23 VAL 55 2HG2 VAL 55 1.921 0.114 2.052 452 H GLU 56 H GLU 56 4.594 -1.592 2.344 453 HA GLU 56 HA GLU 56 4.531 -4.494 2.639 454 HB2 GLU 56 2HB GLU 56 6.379 -4.337 4.219 455 HB3 GLU 56 1HB GLU 56 6.840 -3.446 2.785 456 HG2 GLU 56 2HG GLU 56 6.451 -1.362 3.961 457 HG3 GLU 56 1HG GLU 56 5.850 -2.248 5.363 458 H MET 57 H MET 57 3.456 -5.407 4.215 459 HA MET 57 HA MET 57 2.312 -3.664 6.219 460 HB2 MET 57 2HB MET 57 0.067 -4.848 5.773 461 HB3 MET 57 1HB MET 57 0.557 -3.491 4.759 462 HG2 MET 57 2HG MET 57 1.212 -5.038 3.036 463 HG3 MET 57 1HG MET 57 0.861 -6.385 4.128 464 HE1 MET 57 3HE MET 57 -1.398 -3.175 4.061 465 HE2 MET 57 1HE MET 57 -2.438 -3.507 2.683 466 HE3 MET 57 2HE MET 57 -0.716 -3.208 2.435 467 H SER 58 H SER 58 1.494 -4.620 8.058 468 HA SER 58 HA SER 58 2.874 -6.893 8.857 469 HB2 SER 58 2HB SER 58 1.368 -6.182 10.897 470 HB3 SER 58 1HB SER 58 2.742 -5.190 10.367 471 HG SER 58 HG SER 58 0.240 -4.412 10.550 472 HA PRO 59 HA PRO 59 -0.412 -9.830 7.776 473 HB2 PRO 59 2HB PRO 59 0.669 -11.434 10.018 474 HB3 PRO 59 1HB PRO 59 0.538 -11.863 8.301 475 HG2 PRO 59 2HG PRO 59 2.894 -11.353 9.384 476 HG3 PRO 59 1HG PRO 59 2.506 -10.847 7.729 477 HD2 PRO 59 2HD PRO 59 2.628 -9.200 10.211 478 HD3 PRO 59 1HD PRO 59 3.148 -8.820 8.552 479 H TYR 60 H TYR 60 0.021 -8.351 10.796 480 HA TYR 60 HA TYR 60 -2.255 -9.517 12.135 481 HB2 TYR 60 2HB TYR 60 -0.311 -8.854 13.441 482 HB3 TYR 60 1HB TYR 60 -0.395 -7.223 12.805 483 HD1 TYR 60 2HD TYR 60 -2.246 -9.665 14.921 484 HD2 TYR 60 1HD TYR 60 -1.595 -5.572 13.956 485 HE1 TYR 60 2HE TYR 60 -3.613 -8.993 16.854 486 HE2 TYR 60 1HE TYR 60 -2.955 -4.892 15.882 487 HH TYR 60 HH TYR 60 -4.706 -5.808 17.264 488 H ASP 61 H ASP 61 -1.672 -7.022 9.892 489 HA ASP 61 HA ASP 61 -4.233 -5.705 10.539 490 HB2 ASP 61 2HB ASP 61 -1.822 -4.550 9.102 491 HB3 ASP 61 1HB ASP 61 -3.344 -3.724 9.365 492 H LEU 62 H LEU 62 -1.978 -5.929 7.878 493 HA LEU 62 HA LEU 62 -2.105 -6.123 5.633 494 HB2 LEU 62 2HB LEU 62 -3.188 -8.373 6.536 495 HB3 LEU 62 1HB LEU 62 -4.637 -7.704 5.813 496 HG LEU 62 HG LEU 62 -3.193 -7.456 3.668 497 HD11 LEU 62 1HD1 LEU 62 -1.379 -9.072 3.483 498 HD12 LEU 62 2HD1 LEU 62 -1.519 -9.415 5.205 499 HD13 LEU 62 3HD1 LEU 62 -1.050 -7.805 4.662 500 HD21 LEU 62 3HD2 LEU 62 -3.954 -10.199 4.696 501 HD22 LEU 62 1HD2 LEU 62 -3.696 -9.764 3.006 502 HD23 LEU 62 2HD2 LEU 62 -5.042 -9.060 3.903 503 H THR 63 H THR 63 -4.058 -4.330 7.264 504 HA THR 63 HA THR 63 -5.386 -3.303 4.889 505 HB THR 63 HB THR 63 -7.007 -4.339 6.494 506 HG1 THR 63 1HG THR 63 -7.175 -1.531 6.125 507 HG21 THR 63 3HG2 THR 63 -6.128 -2.124 8.364 508 HG22 THR 63 1HG2 THR 63 -5.842 -3.848 8.599 509 HG23 THR 63 2HG2 THR 63 -7.487 -3.214 8.639 510 H ARG 64 H ARG 64 -2.915 -2.898 6.728 511 HA ARG 64 HA ARG 64 -2.845 -0.003 6.666 512 HB2 ARG 64 2HB ARG 64 -3.572 -0.764 8.961 513 HB3 ARG 64 1HB ARG 64 -2.112 -1.729 9.054 514 HG2 ARG 64 2HG ARG 64 -1.842 0.295 10.323 515 HG3 ARG 64 1HG ARG 64 -0.773 0.332 8.918 516 HD2 ARG 64 2HD ARG 64 -2.296 1.780 7.741 517 HD3 ARG 64 1HD ARG 64 -3.481 1.650 9.040 518 HE ARG 64 HE ARG 64 -1.132 2.559 10.134 519 HH11 ARG 64 1HH1 ARG 64 -3.466 3.667 7.767 520 HH12 ARG 64 2HH1 ARG 64 -3.386 5.329 8.126 521 HH21 ARG 64 1HH2 ARG 64 -0.932 4.877 10.716 522 HH22 ARG 64 2HH2 ARG 64 -1.860 6.045 9.904 523 H GLY 65 H GLY 65 -0.730 0.568 5.982 524 HA2 GLY 65 2HA GLY 65 1.462 -1.282 6.298 525 HA3 GLY 65 1HA GLY 65 0.800 -1.227 4.696 526 H ARG 66 H ARG 66 3.180 -0.494 4.483 527 HA ARG 66 HA ARG 66 2.997 2.376 4.096 528 HB2 ARG 66 2HB ARG 66 4.365 2.322 6.057 529 HB3 ARG 66 1HB ARG 66 5.296 0.956 5.431 530 HG2 ARG 66 2HG ARG 66 6.269 2.335 3.708 531 HG3 ARG 66 1HG ARG 66 5.266 3.693 4.178 532 HD2 ARG 66 2HD ARG 66 7.663 3.690 4.841 533 HD3 ARG 66 1HD ARG 66 6.493 4.074 6.105 534 HE ARG 66 HE ARG 66 7.325 2.327 7.279 535 HH11 ARG 66 1HH1 ARG 66 8.046 1.560 3.835 536 HH12 ARG 66 2HH1 ARG 66 8.716 0.040 4.286 537 HH21 ARG 66 1HH2 ARG 66 8.413 0.230 7.713 538 HH22 ARG 66 2HH2 ARG 66 8.933 -0.653 6.344 539 H ILE 67 H ILE 67 3.795 3.051 2.235 540 HA ILE 67 HA ILE 67 4.379 1.133 0.228 541 HB ILE 67 HB ILE 67 4.415 4.151 0.217 542 HG12 ILE 67 2HG1 ILE 67 2.636 3.717 -1.591 543 HG13 ILE 67 1HG1 ILE 67 2.684 2.055 -1.001 544 HG21 ILE 67 1HG2 ILE 67 5.092 2.382 -2.108 545 HG22 ILE 67 2HG2 ILE 67 6.186 3.408 -1.184 546 HG23 ILE 67 3HG2 ILE 67 4.911 4.148 -2.151 547 HD11 ILE 67 3HD1 ILE 67 1.977 4.479 0.634 548 HD12 ILE 67 1HD1 ILE 67 1.992 2.809 1.195 549 HD13 ILE 67 2HD1 ILE 67 0.830 3.313 -0.035 550 H THR 68 H THR 68 6.211 0.327 -0.363 551 HA THR 68 HA THR 68 8.691 1.397 0.772 552 HB THR 68 HB THR 68 9.555 -0.833 -0.027 553 HG1 THR 68 1HG THR 68 7.933 -2.393 -0.553 554 HG21 THR 68 3HG2 THR 68 8.539 -2.033 1.862 555 HG22 THR 68 1HG2 THR 68 7.287 -0.795 1.954 556 HG23 THR 68 2HG2 THR 68 8.954 -0.371 2.300 557 H TYR 69 H TYR 69 6.961 0.854 -2.175 558 HA TYR 69 HA TYR 69 9.022 2.146 -3.726 559 HB2 TYR 69 2HB TYR 69 9.615 -0.245 -3.745 560 HB3 TYR 69 1HB TYR 69 7.987 -0.622 -4.284 561 HD1 TYR 69 2HD TYR 69 10.901 1.475 -5.361 562 HD2 TYR 69 1HD TYR 69 7.631 -0.980 -6.537 563 HE1 TYR 69 2HE TYR 69 11.593 1.681 -7.713 564 HE2 TYR 69 1HE TYR 69 8.318 -0.777 -8.889 565 HH TYR 69 HH TYR 69 9.600 0.716 -10.305 566 H ARG 70 H ARG 70 8.096 3.267 -5.350 567 HA ARG 70 HA ARG 70 5.266 2.795 -5.721 568 HB2 ARG 70 2HB ARG 70 5.142 5.027 -6.761 569 HB3 ARG 70 1HB ARG 70 5.657 5.093 -5.085 570 HG2 ARG 70 2HG ARG 70 7.558 6.162 -5.646 571 HG3 ARG 70 1HG ARG 70 7.909 4.996 -6.930 572 HD2 ARG 70 2HD ARG 70 6.017 7.340 -7.112 573 HD3 ARG 70 1HD ARG 70 7.594 7.200 -7.901 574 HE ARG 70 HE ARG 70 6.569 5.127 -8.922 575 HH11 ARG 70 1HH1 ARG 70 4.723 8.205 -8.409 576 HH12 ARG 70 2HH1 ARG 70 3.518 7.686 -9.512 577 HH21 ARG 70 1HH2 ARG 70 4.763 4.589 -10.359 578 HH22 ARG 70 2HH2 ARG 70 3.527 5.750 -10.529 579 H TYR 71 H TYR 71 4.850 1.494 -7.270 580 HA TYR 71 HA TYR 71 6.711 0.841 -9.338 581 HB2 TYR 71 2HB TYR 71 5.122 -0.676 -8.015 582 HB3 TYR 71 1HB TYR 71 3.838 0.003 -8.993 583 HD1 TYR 71 1HD TYR 71 3.635 -0.623 -11.381 584 HD2 TYR 71 2HD TYR 71 6.717 -2.228 -8.928 585 HE1 TYR 71 1HE TYR 71 4.056 -2.380 -13.058 586 HE2 TYR 71 2HE TYR 71 7.150 -3.973 -10.592 587 HH TYR 71 HH TYR 71 5.932 -5.110 -12.377 588 H LYS 72 H LYS 72 6.293 1.263 -11.639 589 HA LYS 72 HA LYS 72 4.096 3.101 -12.009 590 HB2 LYS 72 2HB LYS 72 6.570 4.030 -12.218 591 HB3 LYS 72 1HB LYS 72 6.488 3.269 -13.798 592 HG2 LYS 72 2HG LYS 72 4.610 5.416 -12.775 593 HG3 LYS 72 1HG LYS 72 5.936 5.666 -13.897 594 HD2 LYS 72 2HD LYS 72 4.462 5.337 -15.558 595 HD3 LYS 72 1HD LYS 72 4.379 3.653 -15.058 596 HE2 LYS 72 2HE LYS 72 2.589 5.868 -14.008 597 HE3 LYS 72 1HE LYS 72 2.143 4.745 -15.283 598 HZ1 LYS 72 3HZ LYS 72 2.550 2.936 -13.498 599 HZ2 LYS 72 1HZ LYS 72 1.180 3.899 -13.312 600 HZ3 LYS 72 2HZ LYS 72 2.463 4.207 -12.371 Start of MODEL 18 1 H1 MET 1 1HT MET 1 13.498 -15.081 8.249 2 H2 MET 1 2HT MET 1 12.644 -13.635 8.166 3 H3 MET 1 3HT MET 1 13.607 -13.916 9.499 4 HA MET 1 HA MET 1 14.523 -12.325 7.960 5 HB2 MET 1 2HB MET 1 16.044 -14.948 7.941 6 HB3 MET 1 1HB MET 1 16.732 -13.408 7.459 7 HG2 MET 1 2HG MET 1 16.458 -12.549 9.705 8 HG3 MET 1 1HG MET 1 15.661 -14.044 10.200 9 HE1 MET 1 2HE MET 1 19.134 -14.226 12.038 10 HE2 MET 1 3HE MET 1 17.383 -14.241 12.242 11 HE3 MET 1 1HE MET 1 18.196 -12.765 11.725 12 H ALA 2 H ALA 2 15.509 -15.190 6.098 13 HA ALA 2 HA ALA 2 14.502 -13.847 3.754 14 HB1 ALA 2 1HB ALA 2 16.188 -16.348 4.012 15 HB2 ALA 2 2HB ALA 2 16.802 -14.725 3.701 16 HB3 ALA 2 3HB ALA 2 15.787 -15.529 2.503 17 H LYS 3 H LYS 3 12.354 -14.127 4.240 18 HA LYS 3 HA LYS 3 11.189 -16.567 3.147 19 HB2 LYS 3 2HB LYS 3 11.576 -16.940 5.672 20 HB3 LYS 3 1HB LYS 3 10.382 -15.682 5.927 21 HG2 LYS 3 2HG LYS 3 8.919 -17.239 4.357 22 HG3 LYS 3 1HG LYS 3 10.023 -18.475 4.959 23 HD2 LYS 3 2HD LYS 3 8.401 -18.600 6.578 24 HD3 LYS 3 1HD LYS 3 9.423 -17.354 7.291 25 HE2 LYS 3 2HE LYS 3 6.860 -16.930 5.717 26 HE3 LYS 3 1HE LYS 3 7.084 -16.687 7.440 27 HZ1 LYS 3 3HZ LYS 3 7.090 -14.573 6.283 28 HZ2 LYS 3 1HZ LYS 3 8.312 -15.085 5.253 29 HZ3 LYS 3 2HZ LYS 3 8.623 -14.842 6.902 30 H GLN 4 H GLN 4 11.401 -13.392 3.124 31 HA GLN 4 HA GLN 4 10.212 -11.534 3.256 32 HB2 GLN 4 2HB GLN 4 8.144 -13.175 1.756 33 HB3 GLN 4 1HB GLN 4 8.284 -11.421 1.737 34 HG2 GLN 4 2HG GLN 4 10.190 -13.435 0.564 35 HG3 GLN 4 1HG GLN 4 9.241 -12.218 -0.287 36 HE21 GLN 4 1HE2 GLN 4 9.967 -10.038 -0.291 37 HE22 GLN 4 2HE2 GLN 4 11.545 -9.643 0.227 38 H ASP 5 H ASP 5 10.020 -11.413 5.417 39 HA ASP 5 HA ASP 5 7.692 -12.557 6.698 40 HB2 ASP 5 2HB ASP 5 9.904 -10.867 7.893 41 HB3 ASP 5 1HB ASP 5 8.668 -11.732 8.804 42 H VAL 6 H VAL 6 8.542 -9.764 5.188 43 HA VAL 6 HA VAL 6 6.275 -8.271 6.283 44 HB VAL 6 HB VAL 6 8.505 -7.332 4.416 45 HG11 VAL 6 1HG1 VAL 6 6.468 -6.026 4.173 46 HG12 VAL 6 2HG1 VAL 6 7.732 -5.060 4.934 47 HG13 VAL 6 3HG1 VAL 6 6.427 -5.732 5.912 48 HG21 VAL 6 3HG2 VAL 6 9.456 -7.852 6.593 49 HG22 VAL 6 1HG2 VAL 6 8.237 -6.854 7.386 50 HG23 VAL 6 2HG2 VAL 6 9.443 -6.107 6.335 51 H ILE 7 H ILE 7 4.688 -7.628 4.625 52 HA ILE 7 HA ILE 7 4.848 -9.479 2.371 53 HB ILE 7 HB ILE 7 2.430 -8.164 3.645 54 HG12 ILE 7 2HG1 ILE 7 3.347 -9.923 5.050 55 HG13 ILE 7 1HG1 ILE 7 1.817 -10.442 4.357 56 HG21 ILE 7 1HG2 ILE 7 1.059 -9.555 2.169 57 HG22 ILE 7 2HG2 ILE 7 2.519 -10.184 1.406 58 HG23 ILE 7 3HG2 ILE 7 2.109 -8.478 1.238 59 HD11 ILE 7 3HD1 ILE 7 4.572 -11.288 3.458 60 HD12 ILE 7 1HD1 ILE 7 3.055 -11.786 2.704 61 HD13 ILE 7 2HD1 ILE 7 3.414 -12.255 4.365 62 H GLU 8 H GLU 8 5.063 -8.721 0.438 63 HA GLU 8 HA GLU 8 4.878 -5.858 0.014 64 HB2 GLU 8 2HB GLU 8 6.339 -6.377 -1.974 65 HB3 GLU 8 1HB GLU 8 7.073 -6.732 -0.419 66 HG2 GLU 8 2HG GLU 8 6.355 -9.139 -0.774 67 HG3 GLU 8 1HG GLU 8 5.954 -8.677 -2.425 68 H LEU 9 H LEU 9 3.149 -5.168 -0.969 69 HA LEU 9 HA LEU 9 1.848 -6.874 -2.954 70 HB2 LEU 9 2HB LEU 9 0.416 -5.247 -0.851 71 HB3 LEU 9 1HB LEU 9 -0.366 -5.939 -2.250 72 HG LEU 9 HG LEU 9 0.816 -7.397 0.115 73 HD11 LEU 9 1HD1 LEU 9 -1.385 -6.477 0.441 74 HD12 LEU 9 2HD1 LEU 9 -1.449 -8.238 0.357 75 HD13 LEU 9 3HD1 LEU 9 -1.952 -7.269 -1.028 76 HD21 LEU 9 3HD2 LEU 9 -0.270 -8.556 -2.463 77 HD22 LEU 9 1HD2 LEU 9 0.123 -9.484 -1.013 78 HD23 LEU 9 2HD2 LEU 9 1.400 -8.658 -1.901 79 H GLU 10 H GLU 10 0.425 -5.692 -4.395 80 HA GLU 10 HA GLU 10 1.462 -3.010 -4.961 81 HB2 GLU 10 2HB GLU 10 1.758 -5.226 -6.486 82 HB3 GLU 10 1HB GLU 10 0.163 -4.751 -7.014 83 HG2 GLU 10 2HG GLU 10 2.459 -2.827 -7.086 84 HG3 GLU 10 1HG GLU 10 2.179 -3.976 -8.384 85 H GLY 11 H GLY 11 -0.284 -1.568 -5.762 86 HA2 GLY 11 2HA GLY 11 -2.945 -2.407 -5.633 87 HA3 GLY 11 1HA GLY 11 -2.552 -1.559 -4.146 88 H THR 12 H THR 12 -4.432 -0.510 -5.579 89 HA THR 12 HA THR 12 -3.182 1.618 -7.201 90 HB THR 12 HB THR 12 -6.004 0.653 -7.298 91 HG1 THR 12 1HG THR 12 -4.647 -1.088 -8.035 92 HG21 THR 12 3HG2 THR 12 -5.593 2.908 -8.189 93 HG22 THR 12 1HG2 THR 12 -6.021 1.803 -9.502 94 HG23 THR 12 2HG2 THR 12 -4.339 2.271 -9.244 95 H VAL 13 H VAL 13 -3.396 3.620 -6.456 96 HA VAL 13 HA VAL 13 -5.036 4.000 -4.096 97 HB VAL 13 HB VAL 13 -2.765 4.775 -3.835 98 HG11 VAL 13 1HG1 VAL 13 -1.877 6.592 -5.070 99 HG12 VAL 13 2HG1 VAL 13 -3.269 6.515 -6.184 100 HG13 VAL 13 3HG1 VAL 13 -2.157 5.133 -6.016 101 HG21 VAL 13 3HG2 VAL 13 -3.151 7.136 -3.174 102 HG22 VAL 13 1HG2 VAL 13 -4.433 6.048 -2.622 103 HG23 VAL 13 2HG2 VAL 13 -4.707 7.065 -4.016 104 H LEU 14 H LEU 14 -6.811 5.069 -3.977 105 HA LEU 14 HA LEU 14 -7.594 6.504 -6.338 106 HB2 LEU 14 2HB LEU 14 -9.953 6.115 -5.741 107 HB3 LEU 14 1HB LEU 14 -9.002 4.677 -6.050 108 HG LEU 14 HG LEU 14 -9.639 5.549 -3.240 109 HD11 LEU 14 1HD1 LEU 14 -11.513 3.970 -3.329 110 HD12 LEU 14 2HD1 LEU 14 -11.220 3.717 -5.050 111 HD13 LEU 14 3HD1 LEU 14 -11.746 5.296 -4.466 112 HD21 LEU 14 3HD2 LEU 14 -8.916 2.896 -4.500 113 HD22 LEU 14 1HD2 LEU 14 -9.305 3.153 -2.802 114 HD23 LEU 14 2HD2 LEU 14 -7.861 3.881 -3.483 115 H ASP 15 H ASP 15 -7.197 6.902 -2.879 116 HA ASP 15 HA ASP 15 -8.156 9.680 -3.234 117 HB2 ASP 15 2HB ASP 15 -8.364 8.089 -0.722 118 HB3 ASP 15 1HB ASP 15 -9.054 9.672 -0.999 119 H THR 16 H THR 16 -7.018 11.236 -2.069 120 HA THR 16 HA THR 16 -4.364 10.456 -1.125 121 HB THR 16 HB THR 16 -4.002 12.970 -1.289 122 HG1 THR 16 1HG THR 16 -6.351 13.331 -1.296 123 HG21 THR 16 3HG2 THR 16 -3.262 11.370 -3.033 124 HG22 THR 16 1HG2 THR 16 -3.751 12.924 -3.722 125 HG23 THR 16 2HG2 THR 16 -4.838 11.538 -3.804 126 H LEU 17 H LEU 17 -3.801 10.727 1.044 127 HA LEU 17 HA LEU 17 -5.798 12.017 2.743 128 HB2 LEU 17 2HB LEU 17 -3.712 9.990 3.523 129 HB3 LEU 17 1HB LEU 17 -4.941 10.635 4.584 130 HG LEU 17 HG LEU 17 -5.237 8.592 2.378 131 HD11 LEU 17 1HD1 LEU 17 -6.186 7.242 4.123 132 HD12 LEU 17 2HD1 LEU 17 -5.843 8.514 5.296 133 HD13 LEU 17 3HD1 LEU 17 -4.520 7.713 4.444 134 HD21 LEU 17 3HD2 LEU 17 -7.116 10.177 2.148 135 HD22 LEU 17 1HD2 LEU 17 -7.471 10.000 3.866 136 HD23 LEU 17 2HD2 LEU 17 -7.663 8.625 2.780 137 HA PRO 18 HA PRO 18 -2.840 15.173 3.694 138 HB2 PRO 18 2HB PRO 18 -3.187 15.415 6.429 139 HB3 PRO 18 1HB PRO 18 -4.249 16.160 5.216 140 HG2 PRO 18 2HG PRO 18 -4.643 13.648 6.751 141 HG3 PRO 18 1HG PRO 18 -5.820 14.904 6.313 142 HD2 PRO 18 2HD PRO 18 -5.730 12.605 4.979 143 HD3 PRO 18 1HD PRO 18 -6.050 14.140 4.148 144 H ASN 19 H ASN 19 -0.807 15.511 4.455 145 HA ASN 19 HA ASN 19 1.274 15.209 5.249 146 HB2 ASN 19 2HB ASN 19 0.054 15.002 7.458 147 HB3 ASN 19 1HB ASN 19 0.119 13.256 7.259 148 HD21 ASN 19 1HD2 ASN 19 1.336 13.023 9.126 149 HD22 ASN 19 2HD2 ASN 19 3.005 13.451 9.231 150 H ALA 20 H ALA 20 0.271 13.529 3.140 151 HA ALA 20 HA ALA 20 1.209 12.154 1.644 152 HB1 ALA 20 1HB ALA 20 3.463 11.677 3.602 153 HB2 ALA 20 2HB ALA 20 3.400 12.987 2.426 154 HB3 ALA 20 3HB ALA 20 3.473 11.314 1.873 155 H MET 21 H MET 21 -0.612 11.325 3.742 156 HA MET 21 HA MET 21 -0.183 8.451 3.730 157 HB2 MET 21 2HB MET 21 -2.123 10.301 5.046 158 HB3 MET 21 1HB MET 21 -2.704 8.708 4.599 159 HG2 MET 21 2HG MET 21 -2.046 8.788 6.880 160 HG3 MET 21 1HG MET 21 -1.057 7.683 5.938 161 HE1 MET 21 3HE MET 21 -0.426 8.862 8.920 162 HE2 MET 21 1HE MET 21 1.316 9.110 8.794 163 HE3 MET 21 2HE MET 21 0.582 7.657 8.117 164 H PHE 22 H PHE 22 -1.654 7.105 2.587 165 HA PHE 22 HA PHE 22 -3.352 8.477 0.674 166 HB2 PHE 22 2HB PHE 22 -1.237 6.439 -0.064 167 HB3 PHE 22 1HB PHE 22 -2.561 6.895 -1.128 168 HD1 PHE 22 2HD PHE 22 -2.625 9.115 -2.142 169 HD2 PHE 22 1HD PHE 22 0.618 7.921 0.330 170 HE1 PHE 22 2HE PHE 22 -1.288 11.018 -2.967 171 HE2 PHE 22 1HE PHE 22 1.945 9.823 -0.488 172 HZ PHE 22 HZ PHE 22 0.987 11.370 -2.136 173 H LYS 23 H LYS 23 -5.159 7.391 0.145 174 HA LYS 23 HA LYS 23 -5.580 4.925 1.619 175 HB2 LYS 23 2HB LYS 23 -7.295 6.554 2.086 176 HB3 LYS 23 1HB LYS 23 -7.508 6.872 0.368 177 HG2 LYS 23 2HG LYS 23 -8.314 4.568 0.073 178 HG3 LYS 23 1HG LYS 23 -8.182 4.322 1.811 179 HD2 LYS 23 2HD LYS 23 -9.917 5.825 2.271 180 HD3 LYS 23 1HD LYS 23 -9.823 6.558 0.665 181 HE2 LYS 23 2HE LYS 23 -10.741 3.750 1.284 182 HE3 LYS 23 1HE LYS 23 -11.778 5.107 0.834 183 HZ1 LYS 23 3HZ LYS 23 -11.287 3.700 -1.099 184 HZ2 LYS 23 1HZ LYS 23 -9.669 3.860 -0.810 185 HZ3 LYS 23 2HZ LYS 23 -10.534 5.230 -1.294 186 H VAL 24 H VAL 24 -5.053 3.341 0.544 187 HA VAL 24 HA VAL 24 -5.352 3.292 -2.419 188 HB VAL 24 HB VAL 24 -3.369 1.709 -0.773 189 HG11 VAL 24 1HG1 VAL 24 -3.382 2.294 -3.685 190 HG12 VAL 24 2HG1 VAL 24 -3.757 0.763 -2.896 191 HG13 VAL 24 3HG1 VAL 24 -2.126 1.428 -2.802 192 HG21 VAL 24 3HG2 VAL 24 -2.740 3.939 -0.302 193 HG22 VAL 24 1HG2 VAL 24 -2.899 4.413 -1.990 194 HG23 VAL 24 2HG2 VAL 24 -1.610 3.318 -1.503 195 H GLU 25 H GLU 25 -6.384 1.554 -3.284 196 HA GLU 25 HA GLU 25 -7.175 -0.426 -1.329 197 HB2 GLU 25 2HB GLU 25 -8.656 0.698 -3.628 198 HB3 GLU 25 1HB GLU 25 -8.715 -1.053 -3.511 199 HG2 GLU 25 2HG GLU 25 -10.604 -0.389 -2.358 200 HG3 GLU 25 1HG GLU 25 -9.444 -0.695 -1.089 201 H LEU 26 H LEU 26 -6.534 -2.338 -1.524 202 HA LEU 26 HA LEU 26 -4.401 -3.027 -3.282 203 HB2 LEU 26 2HB LEU 26 -6.136 -4.723 -1.508 204 HB3 LEU 26 1HB LEU 26 -4.796 -5.358 -2.435 205 HG LEU 26 HG LEU 26 -4.552 -3.270 -0.273 206 HD11 LEU 26 1HD1 LEU 26 -3.924 -6.225 -0.252 207 HD12 LEU 26 2HD1 LEU 26 -5.253 -5.451 0.608 208 HD13 LEU 26 3HD1 LEU 26 -3.588 -5.090 1.054 209 HD21 LEU 26 3HD2 LEU 26 -2.502 -4.832 -1.847 210 HD22 LEU 26 1HD2 LEU 26 -2.143 -3.790 -0.471 211 HD23 LEU 26 2HD2 LEU 26 -2.800 -3.096 -1.945 212 H GLU 27 H GLU 27 -4.387 -4.662 -4.864 213 HA GLU 27 HA GLU 27 -6.416 -4.633 -6.795 214 HB2 GLU 27 2HB GLU 27 -4.370 -6.817 -6.397 215 HB3 GLU 27 1HB GLU 27 -5.100 -6.300 -7.909 216 HG2 GLU 27 2HG GLU 27 -3.202 -4.678 -6.223 217 HG3 GLU 27 1HG GLU 27 -2.778 -5.545 -7.683 218 H ASN 28 H ASN 28 -6.138 -6.279 -3.928 219 HA ASN 28 HA ASN 28 -7.822 -8.571 -4.468 220 HB2 ASN 28 2HB ASN 28 -6.063 -8.933 -2.902 221 HB3 ASN 28 1HB ASN 28 -6.438 -7.467 -2.020 222 HD21 ASN 28 1HD2 ASN 28 -7.381 -10.795 -2.595 223 HD22 ASN 28 2HD2 ASN 28 -8.350 -10.930 -1.169 224 H GLY 29 H GLY 29 -8.397 -5.294 -3.933 225 HA2 GLY 29 2HA GLY 29 -10.456 -4.253 -3.788 226 HA3 GLY 29 1HA GLY 29 -11.194 -5.799 -3.393 227 H HIS 30 H HIS 30 -8.480 -5.156 -1.533 228 HA HIS 30 HA HIS 30 -10.161 -4.651 0.801 229 HB2 HIS 30 2HB HIS 30 -8.186 -6.447 0.552 230 HB3 HIS 30 1HB HIS 30 -7.253 -4.983 0.900 231 HD1 HIS 30 1HD HIS 30 -6.428 -5.307 3.261 232 HD2 HIS 30 2HD HIS 30 -10.522 -5.917 2.842 233 HE1 HIS 30 1HE HIS 30 -7.297 -5.623 5.552 234 HE2 HIS 30 2HE HIS 30 -9.681 -5.134 5.106 235 H GLU 31 H GLU 31 -9.454 -2.971 2.287 236 HA GLU 31 HA GLU 31 -8.504 -0.658 0.884 237 HB2 GLU 31 2HB GLU 31 -9.521 0.537 2.673 238 HB3 GLU 31 1HB GLU 31 -10.648 -0.731 2.233 239 HG2 GLU 31 2HG GLU 31 -8.761 -0.789 4.570 240 HG3 GLU 31 1HG GLU 31 -10.497 -0.432 4.706 241 H ILE 32 H ILE 32 -6.649 0.341 1.509 242 HA ILE 32 HA ILE 32 -5.385 -0.540 3.951 243 HB ILE 32 HB ILE 32 -3.123 -0.408 2.857 244 HG12 ILE 32 2HG1 ILE 32 -4.708 -0.689 0.357 245 HG13 ILE 32 1HG1 ILE 32 -3.928 0.800 0.947 246 HG21 ILE 32 1HG2 ILE 32 -4.998 -2.578 2.014 247 HG22 ILE 32 2HG2 ILE 32 -3.840 -2.581 3.367 248 HG23 ILE 32 3HG2 ILE 32 -3.276 -2.600 1.698 249 HD11 ILE 32 3HD1 ILE 32 -1.734 -0.248 0.743 250 HD12 ILE 32 1HD1 ILE 32 -2.567 -0.332 -0.808 251 HD13 ILE 32 2HD1 ILE 32 -2.481 -1.758 0.225 252 H LEU 33 H LEU 33 -4.505 0.999 4.999 253 HA LEU 33 HA LEU 33 -4.514 3.674 3.792 254 HB2 LEU 33 2HB LEU 33 -4.241 2.828 6.689 255 HB3 LEU 33 1HB LEU 33 -4.283 4.484 6.115 256 HG LEU 33 HG LEU 33 -6.551 2.528 5.826 257 HD11 LEU 33 1HD1 LEU 33 -6.160 3.076 8.186 258 HD12 LEU 33 2HD1 LEU 33 -7.645 3.833 7.609 259 HD13 LEU 33 3HD1 LEU 33 -6.179 4.796 7.795 260 HD21 LEU 33 3HD2 LEU 33 -7.875 4.524 5.272 261 HD22 LEU 33 1HD2 LEU 33 -6.566 4.260 4.120 262 HD23 LEU 33 2HD2 LEU 33 -6.413 5.504 5.362 263 H ALA 34 H ALA 34 -2.649 4.416 3.194 264 HA ALA 34 HA ALA 34 -0.306 2.943 4.123 265 HB1 ALA 34 1HB ALA 34 0.518 2.916 1.869 266 HB2 ALA 34 2HB ALA 34 -0.919 3.772 1.310 267 HB3 ALA 34 3HB ALA 34 -1.062 2.139 1.962 268 H HIS 35 H HIS 35 1.650 3.998 3.843 269 HA HIS 35 HA HIS 35 1.495 6.912 3.548 270 HB2 HIS 35 2HB HIS 35 1.633 6.325 5.976 271 HB3 HIS 35 1HB HIS 35 3.094 5.407 5.626 272 HD1 HIS 35 1HD HIS 35 1.927 9.052 5.340 273 HD2 HIS 35 2HD HIS 35 5.353 6.804 6.029 274 HE1 HIS 35 1HE HIS 35 3.729 10.708 5.762 275 HE2 HIS 35 2HE HIS 35 5.818 9.308 5.760 276 H VAL 36 H VAL 36 3.069 7.742 2.303 277 HA VAL 36 HA VAL 36 4.862 5.891 1.036 278 HB VAL 36 HB VAL 36 5.612 7.835 -0.336 279 HG11 VAL 36 1HG1 VAL 36 3.848 6.422 -1.152 280 HG12 VAL 36 2HG1 VAL 36 3.486 8.099 -1.561 281 HG13 VAL 36 3HG1 VAL 36 2.653 7.319 -0.217 282 HG21 VAL 36 3HG2 VAL 36 4.328 9.932 -0.222 283 HG22 VAL 36 1HG2 VAL 36 5.217 9.625 1.272 284 HG23 VAL 36 2HG2 VAL 36 3.482 9.317 1.199 285 H SER 37 H SER 37 7.102 6.089 0.946 286 HA SER 37 HA SER 37 8.221 6.335 3.498 287 HB2 SER 37 2HB SER 37 10.279 5.723 2.476 288 HB3 SER 37 1HB SER 37 9.014 4.866 1.613 289 HG SER 37 HG SER 37 9.559 5.835 -0.141 290 H GLY 38 H GLY 38 10.037 7.694 4.085 291 HA2 GLY 38 2HA GLY 38 9.536 10.400 3.947 292 HA3 GLY 38 1HA GLY 38 11.065 9.679 4.421 293 H LYS 39 H LYS 39 11.220 8.387 1.601 294 HA LYS 39 HA LYS 39 12.713 10.604 0.561 295 HB2 LYS 39 2HB LYS 39 13.523 8.258 0.274 296 HB3 LYS 39 1HB LYS 39 12.154 7.952 -0.791 297 HG2 LYS 39 2HG LYS 39 12.963 9.727 -2.308 298 HG3 LYS 39 1HG LYS 39 14.364 9.951 -1.268 299 HD2 LYS 39 2HD LYS 39 14.991 7.590 -1.684 300 HD3 LYS 39 1HD LYS 39 13.630 7.458 -2.799 301 HE2 LYS 39 2HE LYS 39 15.982 9.340 -3.077 302 HE3 LYS 39 1HE LYS 39 15.721 7.869 -4.006 303 HZ1 LYS 39 3HZ LYS 39 15.066 9.771 -5.294 304 HZ2 LYS 39 1HZ LYS 39 14.042 10.342 -4.096 305 HZ3 LYS 39 2HZ LYS 39 13.670 8.914 -4.905 306 H ILE 40 H ILE 40 9.799 8.834 -0.317 307 HA ILE 40 HA ILE 40 9.308 10.272 -2.673 308 HB ILE 40 HB ILE 40 7.593 8.524 -0.927 309 HG12 ILE 40 2HG1 ILE 40 8.394 8.339 -3.808 310 HG13 ILE 40 1HG1 ILE 40 9.292 7.572 -2.495 311 HG21 ILE 40 1HG2 ILE 40 6.052 10.244 -1.718 312 HG22 ILE 40 2HG2 ILE 40 5.733 8.709 -2.527 313 HG23 ILE 40 3HG2 ILE 40 6.595 9.990 -3.376 314 HD11 ILE 40 3HD1 ILE 40 6.463 6.968 -3.368 315 HD12 ILE 40 1HD1 ILE 40 7.284 6.208 -2.005 316 HD13 ILE 40 2HD1 ILE 40 7.885 5.961 -3.644 317 H ARG 41 H ARG 41 8.327 10.772 0.615 318 HA ARG 41 HA ARG 41 6.475 12.857 0.154 319 HB2 ARG 41 2HB ARG 41 6.638 11.534 2.233 320 HB3 ARG 41 1HB ARG 41 8.161 12.329 2.595 321 HG2 ARG 41 2HG ARG 41 6.939 14.500 2.630 322 HG3 ARG 41 1HG ARG 41 5.433 13.594 2.460 323 HD2 ARG 41 2HD ARG 41 6.042 12.320 4.506 324 HD3 ARG 41 1HD ARG 41 7.439 13.373 4.699 325 HE ARG 41 HE ARG 41 4.696 13.946 5.291 326 HH11 ARG 41 1HH1 ARG 41 7.770 15.542 4.432 327 HH12 ARG 41 2HH1 ARG 41 7.481 16.923 5.362 328 HH21 ARG 41 1HH2 ARG 41 4.308 15.814 6.604 329 HH22 ARG 41 2HH2 ARG 41 5.423 17.098 6.654 330 H MET 42 H MET 42 9.949 12.926 1.062 331 HA MET 42 HA MET 42 9.975 15.795 1.106 332 HB2 MET 42 2HB MET 42 12.350 13.937 1.202 333 HB3 MET 42 1HB MET 42 12.349 15.644 1.600 334 HG2 MET 42 2HG MET 42 11.022 13.409 3.117 335 HG3 MET 42 1HG MET 42 12.403 14.370 3.623 336 HE1 MET 42 3HE MET 42 9.791 15.474 6.245 337 HE2 MET 42 1HE MET 42 11.442 14.924 5.950 338 HE3 MET 42 2HE MET 42 10.079 13.858 5.600 339 H ASN 43 H ASN 43 10.695 13.389 -1.264 340 HA ASN 43 HA ASN 43 12.299 15.146 -2.956 341 HB2 ASN 43 2HB ASN 43 12.546 12.587 -2.651 342 HB3 ASN 43 1HB ASN 43 11.142 12.442 -3.669 343 HD21 ASN 43 1HD2 ASN 43 12.078 14.599 -5.510 344 HD22 ASN 43 2HD2 ASN 43 13.395 13.920 -6.390 345 H TYR 44 H TYR 44 9.103 14.916 -2.284 346 HA TYR 44 HA TYR 44 7.169 15.494 -3.161 347 HB2 TYR 44 2HB TYR 44 9.118 16.972 -4.725 348 HB3 TYR 44 1HB TYR 44 7.395 17.203 -5.139 349 HD1 TYR 44 2HD TYR 44 5.917 18.010 -3.160 350 HD2 TYR 44 1HD TYR 44 10.167 18.178 -3.073 351 HE1 TYR 44 2HE TYR 44 5.808 19.666 -1.347 352 HE2 TYR 44 1HE TYR 44 10.069 19.835 -1.258 353 HH TYR 44 HH TYR 44 7.245 20.475 0.484 354 H ILE 45 H ILE 45 8.558 13.105 -4.289 355 HA ILE 45 HA ILE 45 7.315 12.950 -6.898 356 HB ILE 45 HB ILE 45 8.203 10.579 -7.002 357 HG12 ILE 45 2HG1 ILE 45 9.668 11.443 -4.497 358 HG13 ILE 45 1HG1 ILE 45 8.435 10.197 -4.596 359 HG21 ILE 45 1HG2 ILE 45 10.198 12.808 -6.632 360 HG22 ILE 45 2HG2 ILE 45 9.336 12.400 -8.116 361 HG23 ILE 45 3HG2 ILE 45 10.521 11.278 -7.447 362 HD11 ILE 45 3HD1 ILE 45 9.909 8.846 -6.010 363 HD12 ILE 45 1HD1 ILE 45 10.670 9.226 -4.465 364 HD13 ILE 45 2HD1 ILE 45 11.143 10.103 -5.920 365 H ARG 46 H ARG 46 5.475 13.479 -6.032 366 HA ARG 46 HA ARG 46 3.997 12.055 -4.118 367 HB2 ARG 46 2HB ARG 46 2.141 13.516 -4.755 368 HB3 ARG 46 1HB ARG 46 3.635 14.402 -4.488 369 HG2 ARG 46 2HG ARG 46 3.992 14.530 -6.910 370 HG3 ARG 46 1HG ARG 46 2.488 13.650 -7.172 371 HD2 ARG 46 2HD ARG 46 1.246 15.457 -6.086 372 HD3 ARG 46 1HD ARG 46 2.753 16.334 -5.818 373 HE ARG 46 HE ARG 46 2.448 15.675 -8.534 374 HH11 ARG 46 1HH1 ARG 46 1.203 17.941 -6.122 375 HH12 ARG 46 2HH1 ARG 46 0.813 19.182 -7.215 376 HH21 ARG 46 1HH2 ARG 46 1.915 17.383 -10.103 377 HH22 ARG 46 2HH2 ARG 46 1.233 18.845 -9.575 378 H ILE 47 H ILE 47 2.157 10.909 -4.281 379 HA ILE 47 HA ILE 47 1.865 9.303 -6.681 380 HB ILE 47 HB ILE 47 0.541 8.933 -3.985 381 HG12 ILE 47 2HG1 ILE 47 2.958 8.882 -3.614 382 HG13 ILE 47 1HG1 ILE 47 2.282 7.268 -3.450 383 HG21 ILE 47 1HG2 ILE 47 1.080 7.011 -6.234 384 HG22 ILE 47 2HG2 ILE 47 -0.448 7.802 -5.896 385 HG23 ILE 47 3HG2 ILE 47 0.222 6.645 -4.731 386 HD11 ILE 47 3HD1 ILE 47 3.790 8.338 -5.825 387 HD12 ILE 47 1HD1 ILE 47 3.106 6.717 -5.687 388 HD13 ILE 47 2HD1 ILE 47 4.404 7.224 -4.604 389 H LEU 48 H LEU 48 0.026 9.495 -7.889 390 HA LEU 48 HA LEU 48 -1.959 11.467 -7.031 391 HB2 LEU 48 2HB LEU 48 -0.614 11.959 -9.069 392 HB3 LEU 48 1HB LEU 48 -1.188 10.466 -9.778 393 HG LEU 48 HG LEU 48 -3.506 11.396 -9.563 394 HD11 LEU 48 1HD1 LEU 48 -3.745 13.829 -9.411 395 HD12 LEU 48 2HD1 LEU 48 -2.012 13.986 -9.156 396 HD13 LEU 48 3HD1 LEU 48 -3.005 13.189 -7.942 397 HD21 LEU 48 3HD2 LEU 48 -1.551 12.806 -11.379 398 HD22 LEU 48 1HD2 LEU 48 -3.298 12.759 -11.606 399 HD23 LEU 48 2HD2 LEU 48 -2.359 11.270 -11.698 400 HA PRO 49 HA PRO 49 -5.016 8.066 -6.801 401 HB2 PRO 49 2HB PRO 49 -6.557 10.230 -8.213 402 HB3 PRO 49 1HB PRO 49 -7.108 9.137 -6.919 403 HG2 PRO 49 2HG PRO 49 -6.480 11.567 -6.291 404 HG3 PRO 49 1HG PRO 49 -5.902 10.226 -5.270 405 HD2 PRO 49 2HD PRO 49 -4.389 11.895 -7.235 406 HD3 PRO 49 1HD PRO 49 -3.827 11.178 -5.710 407 H GLY 50 H GLY 50 -5.167 6.472 -8.204 408 HA2 GLY 50 2HA GLY 50 -5.718 5.568 -10.361 409 HA3 GLY 50 1HA GLY 50 -5.042 7.023 -11.090 410 H ASP 51 H ASP 51 -2.798 6.819 -8.971 411 HA ASP 51 HA ASP 51 -1.002 5.292 -10.584 412 HB2 ASP 51 2HB ASP 51 -0.654 6.737 -7.971 413 HB3 ASP 51 1HB ASP 51 0.577 5.629 -8.540 414 H LYS 52 H LYS 52 0.190 3.543 -9.960 415 HA LYS 52 HA LYS 52 -1.056 1.855 -7.920 416 HB2 LYS 52 2HB LYS 52 0.619 0.938 -10.272 417 HB3 LYS 52 1HB LYS 52 -0.310 -0.073 -9.176 418 HG2 LYS 52 2HG LYS 52 -2.384 1.040 -10.043 419 HG3 LYS 52 1HG LYS 52 -1.376 1.819 -11.261 420 HD2 LYS 52 2HD LYS 52 -1.982 -0.010 -12.468 421 HD3 LYS 52 1HD LYS 52 -0.603 -0.713 -11.627 422 HE2 LYS 52 2HE LYS 52 -3.517 -0.970 -10.864 423 HE3 LYS 52 1HE LYS 52 -2.493 -2.228 -11.535 424 HZ1 LYS 52 3HZ LYS 52 -2.783 -2.546 -9.249 425 HZ2 LYS 52 1HZ LYS 52 -2.250 -1.004 -8.829 426 HZ3 LYS 52 2HZ LYS 52 -1.162 -2.130 -9.468 427 H VAL 53 H VAL 53 0.428 0.752 -6.538 428 HA VAL 53 HA VAL 53 3.130 1.852 -6.507 429 HB VAL 53 HB VAL 53 2.881 2.471 -4.071 430 HG11 VAL 53 1HG1 VAL 53 1.264 4.073 -6.058 431 HG12 VAL 53 2HG1 VAL 53 3.003 4.197 -5.794 432 HG13 VAL 53 3HG1 VAL 53 1.883 4.676 -4.520 433 HG21 VAL 53 3HG2 VAL 53 0.597 3.023 -3.276 434 HG22 VAL 53 1HG2 VAL 53 0.807 1.297 -3.579 435 HG23 VAL 53 2HG2 VAL 53 -0.062 2.297 -4.740 436 H THR 54 H THR 54 4.544 0.858 -5.016 437 HA THR 54 HA THR 54 3.838 -1.907 -4.441 438 HB THR 54 HB THR 54 6.515 -0.512 -4.200 439 HG1 THR 54 1HG THR 54 5.056 -1.344 -6.383 440 HG21 THR 54 3HG2 THR 54 7.408 -2.796 -4.445 441 HG22 THR 54 1HG2 THR 54 5.765 -3.428 -4.560 442 HG23 THR 54 2HG2 THR 54 6.324 -2.696 -3.058 443 H VAL 55 H VAL 55 3.128 -2.310 -2.461 444 HA VAL 55 HA VAL 55 3.795 -0.442 -0.314 445 HB VAL 55 HB VAL 55 1.439 -0.297 -0.999 446 HG11 VAL 55 1HG1 VAL 55 1.018 -2.527 -1.829 447 HG12 VAL 55 2HG1 VAL 55 -0.142 -2.136 -0.555 448 HG13 VAL 55 3HG1 VAL 55 1.215 -3.194 -0.212 449 HG21 VAL 55 3HG2 VAL 55 1.814 -1.542 1.699 450 HG22 VAL 55 1HG2 VAL 55 0.408 -0.605 1.195 451 HG23 VAL 55 2HG2 VAL 55 1.993 0.166 1.299 452 H GLU 56 H GLU 56 4.847 -1.158 1.323 453 HA GLU 56 HA GLU 56 5.121 -4.018 1.805 454 HB2 GLU 56 2HB GLU 56 6.514 -1.595 2.970 455 HB3 GLU 56 1HB GLU 56 6.874 -3.264 3.413 456 HG2 GLU 56 2HG GLU 56 7.496 -3.762 1.191 457 HG3 GLU 56 1HG GLU 56 7.069 -2.131 0.659 458 H MET 57 H MET 57 4.032 -4.943 3.374 459 HA MET 57 HA MET 57 2.732 -3.288 5.385 460 HB2 MET 57 2HB MET 57 0.596 -4.591 4.929 461 HB3 MET 57 1HB MET 57 1.036 -3.302 3.808 462 HG2 MET 57 2HG MET 57 1.766 -4.914 2.234 463 HG3 MET 57 1HG MET 57 1.584 -6.209 3.425 464 HE1 MET 57 3HE MET 57 -0.887 -3.180 2.850 465 HE2 MET 57 1HE MET 57 -1.891 -3.878 1.585 466 HE3 MET 57 2HE MET 57 -0.187 -3.533 1.266 467 H SER 58 H SER 58 1.811 -4.418 7.175 468 HA SER 58 HA SER 58 3.394 -6.553 8.026 469 HB2 SER 58 2HB SER 58 1.729 -6.207 9.986 470 HB3 SER 58 1HB SER 58 2.849 -4.898 9.569 471 HG SER 58 HG SER 58 0.294 -4.656 9.759 472 HA PRO 59 HA PRO 59 0.714 -9.762 6.367 473 HB2 PRO 59 2HB PRO 59 1.543 -11.796 8.029 474 HB3 PRO 59 1HB PRO 59 2.446 -11.271 6.597 475 HG2 PRO 59 2HG PRO 59 2.932 -10.634 9.446 476 HG3 PRO 59 1HG PRO 59 4.085 -10.918 8.126 477 HD2 PRO 59 2HD PRO 59 3.502 -8.450 9.050 478 HD3 PRO 59 1HD PRO 59 3.967 -8.766 7.361 479 H TYR 60 H TYR 60 0.669 -8.636 9.534 480 HA TYR 60 HA TYR 60 -1.534 -10.285 10.431 481 HB2 TYR 60 2HB TYR 60 0.243 -9.626 12.002 482 HB3 TYR 60 1HB TYR 60 -0.125 -7.933 11.725 483 HD1 TYR 60 1HD TYR 60 -1.544 -11.089 13.082 484 HD2 TYR 60 2HD TYR 60 -1.737 -6.839 13.052 485 HE1 TYR 60 1HE TYR 60 -3.127 -11.152 14.965 486 HE2 TYR 60 2HE TYR 60 -3.321 -6.891 14.932 487 HH TYR 60 HH TYR 60 -4.921 -8.446 15.917 488 H ASP 61 H ASP 61 -1.115 -7.382 8.653 489 HA ASP 61 HA ASP 61 -3.808 -6.492 9.439 490 HB2 ASP 61 2HB ASP 61 -1.507 -4.865 8.385 491 HB3 ASP 61 1HB ASP 61 -3.147 -4.266 8.543 492 H LEU 62 H LEU 62 -1.631 -6.095 6.657 493 HA LEU 62 HA LEU 62 -2.040 -5.669 4.482 494 HB2 LEU 62 2HB LEU 62 -3.924 -7.941 5.002 495 HB3 LEU 62 1HB LEU 62 -4.018 -7.121 3.459 496 HG LEU 62 HG LEU 62 -1.614 -7.656 3.083 497 HD11 LEU 62 1HD1 LEU 62 -1.929 -9.376 5.537 498 HD12 LEU 62 2HD1 LEU 62 -0.896 -7.956 5.380 499 HD13 LEU 62 3HD1 LEU 62 -0.559 -9.402 4.425 500 HD21 LEU 62 3HD2 LEU 62 -3.356 -9.011 2.086 501 HD22 LEU 62 1HD2 LEU 62 -3.448 -10.004 3.540 502 HD23 LEU 62 2HD2 LEU 62 -1.989 -10.022 2.553 503 H THR 63 H THR 63 -3.548 -4.234 6.550 504 HA THR 63 HA THR 63 -5.305 -2.813 4.704 505 HB THR 63 HB THR 63 -6.744 -3.956 6.311 506 HG1 THR 63 1HG THR 63 -7.861 -2.245 6.123 507 HG21 THR 63 3HG2 THR 63 -6.642 -3.503 8.731 508 HG22 THR 63 1HG2 THR 63 -5.145 -2.608 8.477 509 HG23 THR 63 2HG2 THR 63 -5.214 -4.339 8.127 510 H ARG 64 H ARG 64 -2.420 -2.713 5.981 511 HA ARG 64 HA ARG 64 -2.313 0.223 6.265 512 HB2 ARG 64 2HB ARG 64 -0.242 -1.407 7.663 513 HB3 ARG 64 1HB ARG 64 -0.861 0.171 8.078 514 HG2 ARG 64 2HG ARG 64 -2.200 -2.450 8.613 515 HG3 ARG 64 1HG ARG 64 -1.267 -1.522 9.771 516 HD2 ARG 64 2HD ARG 64 -2.905 0.249 9.708 517 HD3 ARG 64 1HD ARG 64 -3.807 -0.599 8.439 518 HE ARG 64 HE ARG 64 -3.355 -2.285 10.650 519 HH11 ARG 64 1HH1 ARG 64 -5.501 0.303 9.582 520 HH12 ARG 64 2HH1 ARG 64 -6.788 -0.146 10.603 521 HH21 ARG 64 1HH2 ARG 64 -4.971 -2.929 11.944 522 HH22 ARG 64 2HH2 ARG 64 -6.484 -2.129 12.060 523 H GLY 65 H GLY 65 -0.071 0.912 5.530 524 HA2 GLY 65 2HA GLY 65 1.825 -0.992 4.879 525 HA3 GLY 65 1HA GLY 65 0.941 -0.668 3.412 526 H ARG 66 H ARG 66 3.556 -0.198 3.486 527 HA ARG 66 HA ARG 66 3.757 2.730 3.540 528 HB2 ARG 66 2HB ARG 66 4.917 1.464 5.463 529 HB3 ARG 66 1HB ARG 66 5.981 0.829 4.195 530 HG2 ARG 66 2HG ARG 66 5.686 3.792 4.358 531 HG3 ARG 66 1HG ARG 66 6.608 3.032 5.645 532 HD2 ARG 66 2HD ARG 66 7.104 2.603 2.733 533 HD3 ARG 66 1HD ARG 66 7.953 3.806 3.722 534 HE ARG 66 HE ARG 66 8.767 1.936 5.068 535 HH11 ARG 66 1HH1 ARG 66 7.415 1.122 1.873 536 HH12 ARG 66 2HH1 ARG 66 8.427 -0.239 1.743 537 HH21 ARG 66 1HH2 ARG 66 10.030 -0.124 4.806 538 HH22 ARG 66 2HH2 ARG 66 9.741 -1.008 3.390 539 H ILE 67 H ILE 67 4.476 3.556 1.653 540 HA ILE 67 HA ILE 67 5.136 1.652 -0.460 541 HB ILE 67 HB ILE 67 4.079 4.462 -0.552 542 HG12 ILE 67 2HG1 ILE 67 2.415 3.336 -2.114 543 HG13 ILE 67 1HG1 ILE 67 3.168 1.825 -1.603 544 HG21 ILE 67 1HG2 ILE 67 4.223 4.468 -3.006 545 HG22 ILE 67 2HG2 ILE 67 5.152 2.969 -2.943 546 HG23 ILE 67 3HG2 ILE 67 5.817 4.445 -2.248 547 HD11 ILE 67 3HD1 ILE 67 1.115 2.271 -0.396 548 HD12 ILE 67 1HD1 ILE 67 1.780 3.802 0.175 549 HD13 ILE 67 2HD1 ILE 67 2.514 2.281 0.682 550 H THR 68 H THR 68 7.084 1.346 -1.198 551 HA THR 68 HA THR 68 9.096 3.426 -0.872 552 HB THR 68 HB THR 68 10.449 1.320 -1.776 553 HG1 THR 68 1HG THR 68 9.217 -0.446 -0.397 554 HG21 THR 68 3HG2 THR 68 10.857 0.784 0.608 555 HG22 THR 68 1HG2 THR 68 9.402 1.709 0.981 556 HG23 THR 68 2HG2 THR 68 10.827 2.540 0.322 557 H TYR 69 H TYR 69 7.186 1.777 -3.302 558 HA TYR 69 HA TYR 69 8.741 3.204 -5.320 559 HB2 TYR 69 2HB TYR 69 9.405 0.739 -5.159 560 HB3 TYR 69 1HB TYR 69 7.792 0.376 -5.755 561 HD1 TYR 69 2HD TYR 69 10.939 2.139 -6.619 562 HD2 TYR 69 1HD TYR 69 7.347 0.408 -8.119 563 HE1 TYR 69 2HE TYR 69 11.793 2.381 -8.909 564 HE2 TYR 69 1HE TYR 69 8.201 0.642 -10.430 565 HH TYR 69 HH TYR 69 11.444 1.256 -11.038 566 H ARG 70 H ARG 70 7.646 3.951 -6.956 567 HA ARG 70 HA ARG 70 4.758 3.589 -7.068 568 HB2 ARG 70 2HB ARG 70 4.551 5.898 -7.867 569 HB3 ARG 70 1HB ARG 70 5.245 5.856 -6.260 570 HG2 ARG 70 2HG ARG 70 7.229 6.740 -6.954 571 HG3 ARG 70 1HG ARG 70 7.139 5.966 -8.541 572 HD2 ARG 70 2HD ARG 70 5.425 8.298 -7.660 573 HD3 ARG 70 1HD ARG 70 6.870 8.430 -8.674 574 HE ARG 70 HE ARG 70 5.694 6.948 -10.279 575 HH11 ARG 70 1HH1 ARG 70 3.711 9.119 -8.186 576 HH12 ARG 70 2HH1 ARG 70 2.312 8.792 -9.108 577 HH21 ARG 70 1HH2 ARG 70 3.764 6.679 -11.482 578 HH22 ARG 70 2HH2 ARG 70 2.317 7.438 -10.967 579 H TYR 71 H TYR 71 3.910 3.366 -9.190 580 HA TYR 71 HA TYR 71 5.698 2.189 -11.011 581 HB2 TYR 71 2HB TYR 71 2.863 3.099 -11.156 582 HB3 TYR 71 1HB TYR 71 3.700 2.757 -12.660 583 HD1 TYR 71 2HD TYR 71 3.606 1.051 -9.316 584 HD2 TYR 71 1HD TYR 71 3.020 0.765 -13.515 585 HE1 TYR 71 2HE TYR 71 3.059 -1.330 -9.079 586 HE2 TYR 71 1HE TYR 71 2.472 -1.611 -13.290 587 HH TYR 71 HH TYR 71 1.680 -2.989 -10.392 588 H LYS 72 H LYS 72 6.942 2.964 -12.367 589 HA LYS 72 HA LYS 72 6.914 5.757 -13.204 590 HB2 LYS 72 2HB LYS 72 8.724 5.268 -11.658 591 HB3 LYS 72 1HB LYS 72 9.150 3.832 -12.564 592 HG2 LYS 72 2HG LYS 72 9.496 5.587 -14.508 593 HG3 LYS 72 1HG LYS 72 9.719 6.689 -13.145 594 HD2 LYS 72 2HD LYS 72 11.887 5.894 -13.586 595 HD3 LYS 72 1HD LYS 72 11.343 4.920 -12.225 596 HE2 LYS 72 2HE LYS 72 11.398 4.074 -15.143 597 HE3 LYS 72 1HE LYS 72 12.480 3.516 -13.879 598 HZ1 LYS 72 3HZ LYS 72 10.785 1.849 -14.346 599 HZ2 LYS 72 1HZ LYS 72 9.572 2.976 -14.142 600 HZ3 LYS 72 2HZ LYS 72 10.445 2.470 -12.801 Start of MODEL 19 1 H1 MET 1 1HT MET 1 11.793 -15.587 10.604 2 H2 MET 1 2HT MET 1 11.035 -14.427 9.578 3 H3 MET 1 3HT MET 1 12.476 -14.050 10.344 4 HA MET 1 HA MET 1 12.619 -14.567 8.003 5 HB2 MET 1 2HB MET 1 14.584 -16.080 8.148 6 HB3 MET 1 1HB MET 1 14.641 -14.821 9.362 7 HG2 MET 1 2HG MET 1 13.840 -17.695 9.840 8 HG3 MET 1 1HG MET 1 15.414 -16.998 10.206 9 HE1 MET 1 2HE MET 1 13.669 -18.632 12.317 10 HE2 MET 1 3HE MET 1 13.857 -17.633 13.758 11 HE3 MET 1 1HE MET 1 15.239 -17.928 12.702 12 H ALA 2 H ALA 2 11.081 -15.334 6.801 13 HA ALA 2 HA ALA 2 10.784 -18.268 6.774 14 HB1 ALA 2 1HB ALA 2 8.535 -16.274 6.405 15 HB2 ALA 2 2HB ALA 2 8.772 -17.306 7.815 16 HB3 ALA 2 3HB ALA 2 8.393 -18.024 6.250 17 H LYS 3 H LYS 3 9.737 -15.454 4.947 18 HA LYS 3 HA LYS 3 11.301 -16.048 2.596 19 HB2 LYS 3 2HB LYS 3 8.287 -16.113 2.392 20 HB3 LYS 3 1HB LYS 3 9.383 -16.134 1.037 21 HG2 LYS 3 2HG LYS 3 10.083 -18.424 1.754 22 HG3 LYS 3 1HG LYS 3 8.830 -18.356 3.002 23 HD2 LYS 3 2HD LYS 3 8.368 -18.074 0.018 24 HD3 LYS 3 1HD LYS 3 8.002 -19.504 0.979 25 HE2 LYS 3 2HE LYS 3 6.298 -18.319 2.209 26 HE3 LYS 3 1HE LYS 3 6.759 -16.783 1.485 27 HZ1 LYS 3 3HZ LYS 3 6.016 -17.533 -0.620 28 HZ2 LYS 3 1HZ LYS 3 4.774 -17.693 0.497 29 HZ3 LYS 3 2HZ LYS 3 5.615 -19.073 -0.029 30 H GLN 4 H GLN 4 8.248 -14.720 3.619 31 HA GLN 4 HA GLN 4 8.970 -12.063 2.676 32 HB2 GLN 4 2HB GLN 4 6.287 -13.473 2.558 33 HB3 GLN 4 1HB GLN 4 6.602 -11.826 2.032 34 HG2 GLN 4 2HG GLN 4 7.878 -12.542 0.187 35 HG3 GLN 4 1HG GLN 4 8.041 -14.171 0.833 36 HE21 GLN 4 1HE2 GLN 4 5.954 -11.940 -0.794 37 HE22 GLN 4 2HE2 GLN 4 4.788 -13.090 -1.325 38 H ASP 5 H ASP 5 9.709 -11.925 4.892 39 HA ASP 5 HA ASP 5 7.813 -12.064 7.027 40 HB2 ASP 5 2HB ASP 5 10.635 -10.976 6.888 41 HB3 ASP 5 1HB ASP 5 9.680 -10.972 8.367 42 H VAL 6 H VAL 6 8.644 -9.865 4.710 43 HA VAL 6 HA VAL 6 6.700 -7.958 5.766 44 HB VAL 6 HB VAL 6 9.103 -7.265 4.001 45 HG11 VAL 6 1HG1 VAL 6 7.080 -5.469 5.328 46 HG12 VAL 6 2HG1 VAL 6 7.174 -5.844 3.609 47 HG13 VAL 6 3HG1 VAL 6 8.468 -4.928 4.382 48 HG21 VAL 6 3HG2 VAL 6 10.039 -6.026 5.910 49 HG22 VAL 6 1HG2 VAL 6 9.907 -7.751 6.257 50 HG23 VAL 6 2HG2 VAL 6 8.732 -6.623 6.932 51 H ILE 7 H ILE 7 5.214 -7.422 4.062 52 HA ILE 7 HA ILE 7 5.630 -9.058 1.654 53 HB ILE 7 HB ILE 7 2.984 -8.459 3.023 54 HG12 ILE 7 2HG1 ILE 7 4.504 -11.074 2.799 55 HG13 ILE 7 1HG1 ILE 7 4.386 -10.095 4.254 56 HG21 ILE 7 1HG2 ILE 7 3.597 -10.184 0.615 57 HG22 ILE 7 2HG2 ILE 7 2.774 -8.628 0.587 58 HG23 ILE 7 3HG2 ILE 7 2.016 -10.010 1.379 59 HD11 ILE 7 3HD1 ILE 7 1.971 -10.485 4.307 60 HD12 ILE 7 1HD1 ILE 7 2.876 -11.999 4.330 61 HD13 ILE 7 2HD1 ILE 7 2.100 -11.458 2.842 62 H GLU 8 H GLU 8 5.828 -7.850 -0.121 63 HA GLU 8 HA GLU 8 4.586 -5.230 -0.101 64 HB2 GLU 8 2HB GLU 8 6.772 -6.349 -1.856 65 HB3 GLU 8 1HB GLU 8 6.019 -4.782 -2.105 66 HG2 GLU 8 2HG GLU 8 6.786 -4.099 0.139 67 HG3 GLU 8 1HG GLU 8 7.622 -5.646 0.289 68 H LEU 9 H LEU 9 2.960 -4.827 -1.253 69 HA LEU 9 HA LEU 9 2.122 -6.644 -3.412 70 HB2 LEU 9 2HB LEU 9 0.353 -5.368 -1.316 71 HB3 LEU 9 1HB LEU 9 -0.233 -6.219 -2.727 72 HG LEU 9 HG LEU 9 1.329 -7.448 -0.451 73 HD11 LEU 9 1HD1 LEU 9 -0.938 -6.856 0.187 74 HD12 LEU 9 2HD1 LEU 9 -0.766 -8.607 0.046 75 HD13 LEU 9 3HD1 LEU 9 -1.568 -7.695 -1.230 76 HD21 LEU 9 3HD2 LEU 9 0.092 -8.723 -2.898 77 HD22 LEU 9 1HD2 LEU 9 0.798 -9.592 -1.534 78 HD23 LEU 9 2HD2 LEU 9 1.818 -8.580 -2.551 79 H GLU 10 H GLU 10 0.577 -5.553 -4.912 80 HA GLU 10 HA GLU 10 1.480 -2.774 -5.247 81 HB2 GLU 10 2HB GLU 10 0.229 -4.566 -7.318 82 HB3 GLU 10 1HB GLU 10 0.950 -2.986 -7.542 83 HG2 GLU 10 2HG GLU 10 3.155 -3.973 -6.986 84 HG3 GLU 10 1HG GLU 10 2.374 -5.562 -6.925 85 H GLY 11 H GLY 11 -0.037 -1.215 -5.399 86 HA2 GLY 11 2HA GLY 11 -2.832 -2.040 -5.622 87 HA3 GLY 11 1HA GLY 11 -2.374 -1.037 -4.256 88 H THR 12 H THR 12 -4.214 -0.062 -5.739 89 HA THR 12 HA THR 12 -2.870 2.001 -7.342 90 HB THR 12 HB THR 12 -5.661 0.894 -7.778 91 HG1 THR 12 1HG THR 12 -3.288 -0.084 -8.387 92 HG21 THR 12 3HG2 THR 12 -5.544 2.137 -9.907 93 HG22 THR 12 1HG2 THR 12 -3.933 2.719 -9.481 94 HG23 THR 12 2HG2 THR 12 -5.330 3.231 -8.538 95 H VAL 13 H VAL 13 -3.270 4.010 -6.680 96 HA VAL 13 HA VAL 13 -4.862 4.303 -4.267 97 HB VAL 13 HB VAL 13 -2.722 5.205 -3.930 98 HG11 VAL 13 1HG1 VAL 13 -1.991 5.199 -6.104 99 HG12 VAL 13 2HG1 VAL 13 -1.682 6.788 -5.396 100 HG13 VAL 13 3HG1 VAL 13 -3.018 6.570 -6.557 101 HG21 VAL 13 3HG2 VAL 13 -3.020 7.621 -3.616 102 HG22 VAL 13 1HG2 VAL 13 -4.454 6.736 -3.085 103 HG23 VAL 13 2HG2 VAL 13 -4.461 7.572 -4.631 104 H LEU 14 H LEU 14 -6.562 5.354 -3.914 105 HA LEU 14 HA LEU 14 -7.918 6.473 -6.251 106 HB2 LEU 14 2HB LEU 14 -9.045 5.479 -3.640 107 HB3 LEU 14 1HB LEU 14 -9.980 6.063 -4.998 108 HG LEU 14 HG LEU 14 -8.273 3.570 -4.983 109 HD11 LEU 14 1HD1 LEU 14 -10.403 2.379 -5.089 110 HD12 LEU 14 2HD1 LEU 14 -11.264 3.911 -4.940 111 HD13 LEU 14 3HD1 LEU 14 -10.258 3.332 -3.612 112 HD21 LEU 14 3HD2 LEU 14 -10.110 4.682 -7.111 113 HD22 LEU 14 1HD2 LEU 14 -9.321 3.104 -7.158 114 HD23 LEU 14 2HD2 LEU 14 -8.351 4.572 -7.205 115 H ASP 15 H ASP 15 -7.039 7.141 -2.869 116 HA ASP 15 HA ASP 15 -8.070 9.895 -3.243 117 HB2 ASP 15 2HB ASP 15 -8.098 8.353 -0.678 118 HB3 ASP 15 1HB ASP 15 -8.731 9.965 -0.922 119 H THR 16 H THR 16 -7.006 11.496 -2.100 120 HA THR 16 HA THR 16 -4.260 10.919 -1.291 121 HB THR 16 HB THR 16 -4.128 13.465 -1.392 122 HG1 THR 16 1HG THR 16 -6.484 13.624 -1.259 123 HG21 THR 16 3HG2 THR 16 -3.352 12.009 -3.257 124 HG22 THR 16 1HG2 THR 16 -4.008 13.547 -3.832 125 HG23 THR 16 2HG2 THR 16 -4.977 12.079 -3.933 126 H LEU 17 H LEU 17 -3.857 10.869 0.925 127 HA LEU 17 HA LEU 17 -5.944 12.015 2.621 128 HB2 LEU 17 2HB LEU 17 -3.887 9.946 3.366 129 HB3 LEU 17 1HB LEU 17 -5.229 10.455 4.361 130 HG LEU 17 HG LEU 17 -5.263 8.593 1.960 131 HD11 LEU 17 1HD1 LEU 17 -6.155 8.278 4.776 132 HD12 LEU 17 2HD1 LEU 17 -4.742 7.553 3.995 133 HD13 LEU 17 3HD1 LEU 17 -6.365 7.118 3.470 134 HD21 LEU 17 3HD2 LEU 17 -7.143 10.184 1.672 135 HD22 LEU 17 1HD2 LEU 17 -7.668 9.837 3.320 136 HD23 LEU 17 2HD2 LEU 17 -7.704 8.567 2.097 137 HA PRO 18 HA PRO 18 -3.123 15.099 4.074 138 HB2 PRO 18 2HB PRO 18 -3.710 15.107 6.775 139 HB3 PRO 18 1HB PRO 18 -4.686 15.928 5.540 140 HG2 PRO 18 2HG PRO 18 -5.139 13.290 6.827 141 HG3 PRO 18 1HG PRO 18 -6.308 14.556 6.395 142 HD2 PRO 18 2HD PRO 18 -6.047 12.378 4.890 143 HD3 PRO 18 1HD PRO 18 -6.345 13.970 4.166 144 H ASN 19 H ASN 19 -1.167 15.394 5.041 145 HA ASN 19 HA ASN 19 0.806 15.079 6.103 146 HB2 ASN 19 2HB ASN 19 -0.749 14.363 8.057 147 HB3 ASN 19 1HB ASN 19 -0.335 12.714 7.618 148 HD21 ASN 19 1HD2 ASN 19 0.774 15.654 9.070 149 HD22 ASN 19 2HD2 ASN 19 2.232 15.023 9.740 150 H ALA 20 H ALA 20 -0.047 13.573 3.736 151 HA ALA 20 HA ALA 20 1.009 12.410 2.109 152 HB1 ALA 20 1HB ALA 20 3.276 11.610 2.297 153 HB2 ALA 20 2HB ALA 20 3.204 11.731 4.052 154 HB3 ALA 20 3HB ALA 20 3.172 13.197 3.071 155 H MET 21 H MET 21 -0.947 11.295 3.863 156 HA MET 21 HA MET 21 -0.344 8.448 3.618 157 HB2 MET 21 2HB MET 21 -2.397 10.004 5.116 158 HB3 MET 21 1HB MET 21 -2.968 8.536 4.344 159 HG2 MET 21 2HG MET 21 -2.461 7.945 6.519 160 HG3 MET 21 1HG MET 21 -1.159 7.329 5.506 161 HE1 MET 21 3HE MET 21 -2.286 9.712 8.321 162 HE2 MET 21 1HE MET 21 -1.936 10.912 7.077 163 HE3 MET 21 2HE MET 21 -0.927 10.814 8.524 164 H PHE 22 H PHE 22 -1.788 7.159 2.295 165 HA PHE 22 HA PHE 22 -3.504 8.657 0.497 166 HB2 PHE 22 2HB PHE 22 -1.254 6.856 -0.464 167 HB3 PHE 22 1HB PHE 22 -2.580 7.390 -1.486 168 HD1 PHE 22 2HD PHE 22 -2.728 9.738 -2.189 169 HD2 PHE 22 1HD PHE 22 0.516 8.335 0.158 170 HE1 PHE 22 2HE PHE 22 -1.455 11.792 -2.713 171 HE2 PHE 22 1HE PHE 22 1.787 10.381 -0.361 172 HZ PHE 22 HZ PHE 22 0.792 12.109 -1.797 173 H LYS 23 H LYS 23 -5.220 7.444 -0.274 174 HA LYS 23 HA LYS 23 -5.397 4.875 1.043 175 HB2 LYS 23 2HB LYS 23 -7.377 6.227 1.466 176 HB3 LYS 23 1HB LYS 23 -7.601 6.480 -0.266 177 HG2 LYS 23 2HG LYS 23 -8.196 4.234 -0.638 178 HG3 LYS 23 1HG LYS 23 -7.634 3.741 0.953 179 HD2 LYS 23 2HD LYS 23 -9.465 4.862 2.012 180 HD3 LYS 23 1HD LYS 23 -9.949 5.608 0.487 181 HE2 LYS 23 2HE LYS 23 -11.345 3.649 1.130 182 HE3 LYS 23 1HE LYS 23 -10.565 3.490 -0.437 183 HZ1 LYS 23 3HZ LYS 23 -9.828 1.992 2.086 184 HZ2 LYS 23 1HZ LYS 23 -8.843 2.076 0.691 185 HZ3 LYS 23 2HZ LYS 23 -10.298 1.487 0.517 186 H VAL 24 H VAL 24 -4.806 3.330 0.089 187 HA VAL 24 HA VAL 24 -4.824 3.223 -2.857 188 HB VAL 24 HB VAL 24 -2.967 1.681 -1.040 189 HG11 VAL 24 1HG1 VAL 24 -2.777 2.268 -3.951 190 HG12 VAL 24 2HG1 VAL 24 -3.204 0.734 -3.195 191 HG13 VAL 24 3HG1 VAL 24 -1.583 1.399 -2.987 192 HG21 VAL 24 3HG2 VAL 24 -2.476 3.997 -0.599 193 HG22 VAL 24 1HG2 VAL 24 -2.363 4.340 -2.323 194 HG23 VAL 24 2HG2 VAL 24 -1.178 3.289 -1.559 195 H GLU 25 H GLU 25 -5.749 1.421 -3.786 196 HA GLU 25 HA GLU 25 -6.841 -0.464 -1.836 197 HB2 GLU 25 2HB GLU 25 -8.214 1.049 -3.729 198 HB3 GLU 25 1HB GLU 25 -8.097 -0.547 -4.463 199 HG2 GLU 25 2HG GLU 25 -10.137 -0.487 -3.252 200 HG3 GLU 25 1HG GLU 25 -9.021 -1.501 -2.340 201 H LEU 26 H LEU 26 -6.403 -2.534 -2.074 202 HA LEU 26 HA LEU 26 -4.280 -3.249 -3.903 203 HB2 LEU 26 2HB LEU 26 -5.682 -4.809 -1.755 204 HB3 LEU 26 1HB LEU 26 -4.443 -5.494 -2.779 205 HG LEU 26 HG LEU 26 -4.048 -3.186 -0.876 206 HD11 LEU 26 1HD1 LEU 26 -2.726 -4.797 0.414 207 HD12 LEU 26 2HD1 LEU 26 -3.197 -6.075 -0.707 208 HD13 LEU 26 3HD1 LEU 26 -4.413 -5.290 0.299 209 HD21 LEU 26 3HD2 LEU 26 -1.658 -3.543 -1.361 210 HD22 LEU 26 1HD2 LEU 26 -2.554 -3.036 -2.792 211 HD23 LEU 26 2HD2 LEU 26 -2.102 -4.725 -2.589 212 H GLU 27 H GLU 27 -4.310 -5.282 -5.037 213 HA GLU 27 HA GLU 27 -6.375 -5.404 -6.958 214 HB2 GLU 27 2HB GLU 27 -4.991 -7.606 -7.535 215 HB3 GLU 27 1HB GLU 27 -4.385 -6.006 -7.918 216 HG2 GLU 27 2HG GLU 27 -2.658 -7.524 -6.959 217 HG3 GLU 27 1HG GLU 27 -2.877 -6.049 -6.034 218 H ASN 28 H ASN 28 -5.678 -7.090 -4.094 219 HA ASN 28 HA ASN 28 -7.405 -9.315 -4.352 220 HB2 ASN 28 2HB ASN 28 -5.517 -9.334 -2.847 221 HB3 ASN 28 1HB ASN 28 -6.119 -7.932 -1.988 222 HD21 ASN 28 1HD2 ASN 28 -6.477 -11.324 -2.521 223 HD22 ASN 28 2HD2 ASN 28 -7.426 -11.659 -1.106 224 H GLY 29 H GLY 29 -8.173 -6.071 -4.063 225 HA2 GLY 29 2HA GLY 29 -10.298 -5.123 -3.805 226 HA3 GLY 29 1HA GLY 29 -10.895 -6.687 -3.248 227 H HIS 30 H HIS 30 -8.073 -5.784 -1.849 228 HA HIS 30 HA HIS 30 -9.324 -5.502 0.770 229 HB2 HIS 30 2HB HIS 30 -7.006 -6.737 0.079 230 HB3 HIS 30 1HB HIS 30 -6.491 -5.051 0.273 231 HD1 HIS 30 1HD HIS 30 -7.154 -3.951 2.800 232 HD2 HIS 30 2HD HIS 30 -6.769 -8.093 2.418 233 HE1 HIS 30 1HE HIS 30 -6.863 -4.799 5.071 234 HE2 HIS 30 2HE HIS 30 -6.127 -7.144 4.729 235 H GLU 31 H GLU 31 -9.317 -3.559 1.835 236 HA GLU 31 HA GLU 31 -8.507 -1.279 0.259 237 HB2 GLU 31 2HB GLU 31 -10.040 -0.003 1.533 238 HB3 GLU 31 1HB GLU 31 -10.861 -1.530 1.322 239 HG2 GLU 31 2HG GLU 31 -11.304 -1.091 3.541 240 HG3 GLU 31 1HG GLU 31 -9.818 -2.047 3.655 241 H ILE 32 H ILE 32 -6.844 -0.015 0.952 242 HA ILE 32 HA ILE 32 -5.771 -0.664 3.557 243 HB ILE 32 HB ILE 32 -3.418 -0.680 2.717 244 HG12 ILE 32 2HG1 ILE 32 -4.633 -1.144 0.028 245 HG13 ILE 32 1HG1 ILE 32 -3.997 0.423 0.523 246 HG21 ILE 32 1HG2 ILE 32 -4.493 -2.760 3.250 247 HG22 ILE 32 2HG2 ILE 32 -3.435 -2.984 1.852 248 HG23 ILE 32 3HG2 ILE 32 -5.180 -2.865 1.633 249 HD11 ILE 32 3HD1 ILE 32 -1.784 -0.576 0.819 250 HD12 ILE 32 1HD1 ILE 32 -2.376 -0.789 -0.828 251 HD13 ILE 32 2HD1 ILE 32 -2.426 -2.138 0.311 252 H LEU 33 H LEU 33 -4.481 0.859 4.461 253 HA LEU 33 HA LEU 33 -4.607 3.494 3.192 254 HB2 LEU 33 2HB LEU 33 -4.737 2.842 6.149 255 HB3 LEU 33 1HB LEU 33 -4.725 4.453 5.465 256 HG LEU 33 HG LEU 33 -6.927 2.422 5.109 257 HD11 LEU 33 1HD1 LEU 33 -8.233 3.909 6.555 258 HD12 LEU 33 2HD1 LEU 33 -6.811 4.925 6.792 259 HD13 LEU 33 3HD1 LEU 33 -6.821 3.265 7.391 260 HD21 LEU 33 3HD2 LEU 33 -6.775 5.316 4.289 261 HD22 LEU 33 1HD2 LEU 33 -8.195 4.281 4.143 262 HD23 LEU 33 2HD2 LEU 33 -6.748 3.928 3.198 263 H ALA 34 H ALA 34 -2.630 4.312 2.902 264 HA ALA 34 HA ALA 34 -0.486 3.008 4.368 265 HB1 ALA 34 1HB ALA 34 0.786 2.738 2.330 266 HB2 ALA 34 2HB ALA 34 -0.547 3.410 1.390 267 HB3 ALA 34 3HB ALA 34 -0.746 1.873 2.232 268 H HIS 35 H HIS 35 1.467 4.117 4.291 269 HA HIS 35 HA HIS 35 1.193 7.030 3.916 270 HB2 HIS 35 2HB HIS 35 1.331 6.325 6.301 271 HB3 HIS 35 1HB HIS 35 2.831 5.487 5.955 272 HD1 HIS 35 1HD HIS 35 1.406 8.935 6.385 273 HD2 HIS 35 2HD HIS 35 5.099 7.092 6.000 274 HE1 HIS 35 1HE HIS 35 3.071 10.684 6.965 275 HE2 HIS 35 2HE HIS 35 5.217 9.412 7.126 276 H VAL 36 H VAL 36 2.849 7.980 2.726 277 HA VAL 36 HA VAL 36 4.533 6.090 1.373 278 HB VAL 36 HB VAL 36 5.335 7.978 -0.013 279 HG11 VAL 36 1HG1 VAL 36 3.479 6.691 -0.795 280 HG12 VAL 36 2HG1 VAL 36 3.172 8.393 -1.160 281 HG13 VAL 36 3HG1 VAL 36 2.372 7.619 0.210 282 HG21 VAL 36 3HG2 VAL 36 5.101 9.782 1.600 283 HG22 VAL 36 1HG2 VAL 36 3.349 9.597 1.570 284 HG23 VAL 36 2HG2 VAL 36 4.203 10.150 0.126 285 H SER 37 H SER 37 6.708 6.062 1.219 286 HA SER 37 HA SER 37 8.163 6.529 3.570 287 HB2 SER 37 2HB SER 37 10.111 5.829 2.240 288 HB3 SER 37 1HB SER 37 8.749 4.768 1.891 289 HG SER 37 HG SER 37 8.621 5.496 -0.030 290 H GLY 38 H GLY 38 10.107 7.900 3.700 291 HA2 GLY 38 2HA GLY 38 9.636 10.592 3.293 292 HA3 GLY 38 1HA GLY 38 11.212 9.884 3.594 293 H LYS 39 H LYS 39 10.555 8.308 0.870 294 HA LYS 39 HA LYS 39 12.216 9.904 -0.783 295 HB2 LYS 39 2HB LYS 39 10.243 7.760 -1.605 296 HB3 LYS 39 1HB LYS 39 11.609 8.332 -2.544 297 HG2 LYS 39 2HG LYS 39 13.150 7.339 -0.957 298 HG3 LYS 39 1HG LYS 39 11.802 6.849 0.074 299 HD2 LYS 39 2HD LYS 39 10.918 5.485 -1.807 300 HD3 LYS 39 1HD LYS 39 12.352 5.902 -2.743 301 HE2 LYS 39 2HE LYS 39 13.763 4.820 -1.061 302 HE3 LYS 39 1HE LYS 39 12.332 4.432 -0.108 303 HZ1 LYS 39 3HZ LYS 39 12.992 2.515 -1.404 304 HZ2 LYS 39 1HZ LYS 39 12.936 3.414 -2.837 305 HZ3 LYS 39 2HZ LYS 39 11.521 3.096 -1.990 306 H ILE 40 H ILE 40 8.766 9.405 -0.490 307 HA ILE 40 HA ILE 40 8.169 11.125 -2.753 308 HB ILE 40 HB ILE 40 6.412 9.390 -1.008 309 HG12 ILE 40 2HG1 ILE 40 7.459 8.976 -3.814 310 HG13 ILE 40 1HG1 ILE 40 8.026 8.153 -2.369 311 HG21 ILE 40 1HG2 ILE 40 5.151 11.277 -1.996 312 HG22 ILE 40 2HG2 ILE 40 4.661 9.710 -2.635 313 HG23 ILE 40 3HG2 ILE 40 5.706 10.761 -3.598 314 HD11 ILE 40 3HD1 ILE 40 6.554 6.758 -3.704 315 HD12 ILE 40 1HD1 ILE 40 5.274 7.961 -3.543 316 HD13 ILE 40 2HD1 ILE 40 5.856 7.099 -2.118 317 H ARG 41 H ARG 41 8.282 11.273 0.628 318 HA ARG 41 HA ARG 41 6.348 13.403 0.860 319 HB2 ARG 41 2HB ARG 41 8.490 12.624 2.812 320 HB3 ARG 41 1HB ARG 41 7.053 13.582 3.171 321 HG2 ARG 41 2HG ARG 41 5.699 11.562 2.597 322 HG3 ARG 41 1HG ARG 41 7.209 10.654 2.491 323 HD2 ARG 41 2HD ARG 41 6.509 10.237 4.664 324 HD3 ARG 41 1HD ARG 41 7.638 11.575 4.872 325 HE ARG 41 HE ARG 41 4.803 12.151 4.570 326 HH11 ARG 41 1HH1 ARG 41 7.675 12.369 6.604 327 HH12 ARG 41 2HH1 ARG 41 6.881 13.019 7.960 328 HH21 ARG 41 1HH2 ARG 41 3.625 12.973 6.473 329 HH22 ARG 41 2HH2 ARG 41 4.459 13.354 7.877 330 H MET 42 H MET 42 9.900 13.077 1.029 331 HA MET 42 HA MET 42 10.300 15.888 1.170 332 HB2 MET 42 2HB MET 42 12.191 13.568 0.961 333 HB3 MET 42 1HB MET 42 12.758 15.223 0.839 334 HG2 MET 42 2HG MET 42 13.084 14.407 3.084 335 HG3 MET 42 1HG MET 42 11.877 15.681 3.086 336 HE1 MET 42 3HE MET 42 12.418 13.735 5.537 337 HE2 MET 42 1HE MET 42 10.769 13.369 6.046 338 HE3 MET 42 2HE MET 42 11.197 15.007 5.553 339 H ASN 43 H ASN 43 10.686 13.485 -1.433 340 HA ASN 43 HA ASN 43 11.644 15.612 -3.188 341 HB2 ASN 43 2HB ASN 43 12.597 13.178 -3.149 342 HB3 ASN 43 1HB ASN 43 11.120 12.744 -3.992 343 HD21 ASN 43 1HD2 ASN 43 13.881 12.521 -4.852 344 HD22 ASN 43 2HD2 ASN 43 14.005 13.426 -6.323 345 H TYR 44 H TYR 44 10.592 15.666 -5.378 346 HA TYR 44 HA TYR 44 7.864 16.434 -4.900 347 HB2 TYR 44 2HB TYR 44 9.652 16.689 -7.286 348 HB3 TYR 44 1HB TYR 44 8.017 17.353 -7.216 349 HD1 TYR 44 1HD TYR 44 7.532 19.248 -5.723 350 HD2 TYR 44 2HD TYR 44 11.485 17.725 -6.113 351 HE1 TYR 44 1HE TYR 44 8.415 21.285 -4.668 352 HE2 TYR 44 2HE TYR 44 12.379 19.760 -5.057 353 HH TYR 44 HH TYR 44 11.716 22.086 -4.681 354 H ILE 45 H ILE 45 8.881 13.511 -5.465 355 HA ILE 45 HA ILE 45 7.278 12.770 -7.759 356 HB ILE 45 HB ILE 45 8.038 10.437 -7.238 357 HG12 ILE 45 2HG1 ILE 45 9.675 11.799 -5.072 358 HG13 ILE 45 1HG1 ILE 45 8.316 10.719 -4.797 359 HG21 ILE 45 1HG2 ILE 45 10.384 10.813 -7.883 360 HG22 ILE 45 2HG2 ILE 45 10.201 12.522 -7.489 361 HG23 ILE 45 3HG2 ILE 45 9.266 11.817 -8.808 362 HD11 ILE 45 3HD1 ILE 45 10.440 9.585 -4.442 363 HD12 ILE 45 1HD1 ILE 45 10.930 9.965 -6.092 364 HD13 ILE 45 2HD1 ILE 45 9.570 8.880 -5.804 365 H ARG 46 H ARG 46 5.583 13.865 -6.187 366 HA ARG 46 HA ARG 46 4.441 12.199 -4.182 367 HB2 ARG 46 2HB ARG 46 3.454 14.783 -5.358 368 HB3 ARG 46 1HB ARG 46 2.446 13.835 -4.276 369 HG2 ARG 46 2HG ARG 46 3.498 15.496 -2.950 370 HG3 ARG 46 1HG ARG 46 4.310 13.978 -2.582 371 HD2 ARG 46 2HD ARG 46 6.070 14.636 -4.232 372 HD3 ARG 46 1HD ARG 46 5.289 16.209 -4.346 373 HE ARG 46 HE ARG 46 6.374 15.094 -1.861 374 HH11 ARG 46 1HH1 ARG 46 5.905 17.871 -4.011 375 HH12 ARG 46 2HH1 ARG 46 6.901 18.932 -3.120 376 HH21 ARG 46 1HH2 ARG 46 7.746 16.544 -0.634 377 HH22 ARG 46 2HH2 ARG 46 8.018 18.137 -1.128 378 H ILE 47 H ILE 47 2.411 11.336 -4.059 379 HA ILE 47 HA ILE 47 1.796 9.768 -6.387 380 HB ILE 47 HB ILE 47 0.739 9.700 -3.555 381 HG12 ILE 47 2HG1 ILE 47 3.081 9.141 -3.647 382 HG13 ILE 47 1HG1 ILE 47 2.140 7.692 -3.309 383 HG21 ILE 47 1HG2 ILE 47 0.361 7.713 -5.770 384 HG22 ILE 47 2HG2 ILE 47 -0.875 8.774 -5.088 385 HG23 ILE 47 3HG2 ILE 47 -0.147 7.506 -4.091 386 HD11 ILE 47 3HD1 ILE 47 3.890 7.168 -4.858 387 HD12 ILE 47 1HD1 ILE 47 3.386 8.470 -5.938 388 HD13 ILE 47 2HD1 ILE 47 2.341 7.076 -5.691 389 H LEU 48 H LEU 48 0.065 9.985 -7.631 390 HA LEU 48 HA LEU 48 -2.005 11.929 -6.902 391 HB2 LEU 48 2HB LEU 48 -0.538 12.477 -8.872 392 HB3 LEU 48 1HB LEU 48 -1.063 10.988 -9.621 393 HG LEU 48 HG LEU 48 -3.408 11.905 -9.570 394 HD11 LEU 48 1HD1 LEU 48 -3.084 13.613 -7.846 395 HD12 LEU 48 2HD1 LEU 48 -3.687 14.315 -9.344 396 HD13 LEU 48 3HD1 LEU 48 -1.985 14.481 -8.917 397 HD21 LEU 48 3HD2 LEU 48 -2.075 11.879 -11.605 398 HD22 LEU 48 1HD2 LEU 48 -1.335 13.417 -11.160 399 HD23 LEU 48 2HD2 LEU 48 -3.056 13.342 -11.531 400 HA PRO 49 HA PRO 49 -4.834 8.344 -6.832 401 HB2 PRO 49 2HB PRO 49 -6.553 10.359 -8.251 402 HB3 PRO 49 1HB PRO 49 -6.992 9.259 -6.922 403 HG2 PRO 49 2HG PRO 49 -6.566 11.758 -6.372 404 HG3 PRO 49 1HG PRO 49 -5.884 10.498 -5.317 405 HD2 PRO 49 2HD PRO 49 -4.506 12.210 -7.340 406 HD3 PRO 49 1HD PRO 49 -3.908 11.617 -5.776 407 H GLY 50 H GLY 50 -4.965 6.751 -8.250 408 HA2 GLY 50 2HA GLY 50 -5.413 5.859 -10.432 409 HA3 GLY 50 1HA GLY 50 -4.767 7.345 -11.122 410 H ASP 51 H ASP 51 -2.558 7.192 -8.985 411 HA ASP 51 HA ASP 51 -0.641 5.815 -10.548 412 HB2 ASP 51 2HB ASP 51 -0.508 7.017 -7.799 413 HB3 ASP 51 1HB ASP 51 0.795 5.995 -8.372 414 H LYS 52 H LYS 52 0.527 4.019 -10.128 415 HA LYS 52 HA LYS 52 -0.765 2.021 -8.406 416 HB2 LYS 52 2HB LYS 52 -0.441 1.545 -10.916 417 HB3 LYS 52 1HB LYS 52 1.284 1.507 -10.580 418 HG2 LYS 52 2HG LYS 52 0.795 -0.284 -8.875 419 HG3 LYS 52 1HG LYS 52 -0.837 -0.344 -9.530 420 HD2 LYS 52 2HD LYS 52 0.153 -0.847 -11.771 421 HD3 LYS 52 1HD LYS 52 1.739 -0.934 -10.997 422 HE2 LYS 52 2HE LYS 52 0.652 -2.625 -9.411 423 HE3 LYS 52 1HE LYS 52 -0.645 -2.711 -10.593 424 HZ1 LYS 52 3HZ LYS 52 1.126 -3.443 -12.267 425 HZ2 LYS 52 1HZ LYS 52 0.972 -4.458 -10.898 426 HZ3 LYS 52 2HZ LYS 52 2.187 -3.433 -10.899 427 H VAL 53 H VAL 53 0.394 1.376 -6.641 428 HA VAL 53 HA VAL 53 3.229 2.123 -6.539 429 HB VAL 53 HB VAL 53 3.011 2.821 -4.188 430 HG11 VAL 53 1HG1 VAL 53 1.934 4.995 -4.582 431 HG12 VAL 53 2HG1 VAL 53 1.248 4.371 -6.082 432 HG13 VAL 53 3HG1 VAL 53 2.995 4.533 -5.911 433 HG21 VAL 53 3HG2 VAL 53 0.784 3.318 -3.243 434 HG22 VAL 53 1HG2 VAL 53 1.000 1.596 -3.571 435 HG23 VAL 53 2HG2 VAL 53 0.036 2.589 -4.663 436 H THR 54 H THR 54 4.449 1.046 -4.883 437 HA THR 54 HA THR 54 3.540 -1.677 -4.402 438 HB THR 54 HB THR 54 6.307 -0.488 -4.040 439 HG1 THR 54 1HG THR 54 5.891 -1.968 -6.328 440 HG21 THR 54 3HG2 THR 54 5.892 -2.697 -3.019 441 HG22 THR 54 1HG2 THR 54 7.027 -2.823 -4.364 442 HG23 THR 54 2HG2 THR 54 5.346 -3.313 -4.580 443 H VAL 55 H VAL 55 2.975 -2.181 -2.334 444 HA VAL 55 HA VAL 55 3.687 -0.261 -0.229 445 HB VAL 55 HB VAL 55 1.259 -0.269 -0.780 446 HG11 VAL 55 1HG1 VAL 55 0.924 -2.573 -1.451 447 HG12 VAL 55 2HG1 VAL 55 -0.181 -2.156 -0.141 448 HG13 VAL 55 3HG1 VAL 55 1.238 -3.126 0.194 449 HG21 VAL 55 3HG2 VAL 55 1.920 -1.290 1.978 450 HG22 VAL 55 1HG2 VAL 55 0.410 -0.501 1.527 451 HG23 VAL 55 2HG2 VAL 55 1.929 0.389 1.446 452 H GLU 56 H GLU 56 4.702 -0.989 1.531 453 HA GLU 56 HA GLU 56 5.266 -3.845 1.756 454 HB2 GLU 56 2HB GLU 56 6.993 -3.170 3.370 455 HB3 GLU 56 1HB GLU 56 7.176 -2.210 1.911 456 HG2 GLU 56 2HG GLU 56 5.978 -0.359 3.018 457 HG3 GLU 56 1HG GLU 56 5.877 -1.324 4.479 458 H MET 57 H MET 57 4.147 -5.008 3.190 459 HA MET 57 HA MET 57 2.872 -3.559 5.393 460 HB2 MET 57 2HB MET 57 1.418 -5.888 4.406 461 HB3 MET 57 1HB MET 57 0.834 -4.374 5.025 462 HG2 MET 57 2HG MET 57 1.575 -3.307 2.851 463 HG3 MET 57 1HG MET 57 1.758 -4.925 2.232 464 HE1 MET 57 3HE MET 57 -2.219 -3.107 3.609 465 HE2 MET 57 1HE MET 57 -0.672 -2.268 3.595 466 HE3 MET 57 2HE MET 57 -0.967 -3.582 4.738 467 H SER 58 H SER 58 2.412 -4.781 7.140 468 HA SER 58 HA SER 58 4.355 -6.822 7.733 469 HB2 SER 58 2HB SER 58 2.128 -5.686 9.446 470 HB3 SER 58 1HB SER 58 3.549 -6.566 10.009 471 HG SER 58 HG SER 58 3.400 -4.025 9.863 472 HA PRO 59 HA PRO 59 1.454 -10.148 6.667 473 HB2 PRO 59 2HB PRO 59 2.920 -11.755 8.684 474 HB3 PRO 59 1HB PRO 59 2.709 -12.063 6.949 475 HG2 PRO 59 2HG PRO 59 5.055 -11.312 7.890 476 HG3 PRO 59 1HG PRO 59 4.453 -10.716 6.331 477 HD2 PRO 59 2HD PRO 59 4.554 -9.305 8.959 478 HD3 PRO 59 1HD PRO 59 4.895 -8.702 7.321 479 H TYR 60 H TYR 60 1.952 -8.933 9.794 480 HA TYR 60 HA TYR 60 -0.202 -10.457 11.026 481 HB2 TYR 60 2HB TYR 60 1.904 -10.009 12.277 482 HB3 TYR 60 1HB TYR 60 1.587 -8.288 12.169 483 HD1 TYR 60 2HD TYR 60 0.203 -11.460 13.543 484 HD2 TYR 60 1HD TYR 60 0.354 -7.219 13.864 485 HE1 TYR 60 2HE TYR 60 -1.031 -11.581 15.668 486 HE2 TYR 60 1HE TYR 60 -0.877 -7.330 15.988 487 HH TYR 60 HH TYR 60 -2.413 -8.863 17.134 488 H ASP 61 H ASP 61 -0.007 -7.798 9.062 489 HA ASP 61 HA ASP 61 -2.419 -6.597 10.241 490 HB2 ASP 61 2HB ASP 61 -0.459 -5.007 10.592 491 HB3 ASP 61 1HB ASP 61 -0.175 -4.988 8.879 492 H LEU 62 H LEU 62 -0.572 -6.031 7.334 493 HA LEU 62 HA LEU 62 -0.974 -6.022 5.127 494 HB2 LEU 62 2HB LEU 62 -1.336 -8.502 5.748 495 HB3 LEU 62 1HB LEU 62 -3.042 -8.168 5.535 496 HG LEU 62 HG LEU 62 -2.441 -7.380 3.163 497 HD11 LEU 62 1HD1 LEU 62 -0.104 -7.038 3.459 498 HD12 LEU 62 2HD1 LEU 62 -0.386 -8.263 2.225 499 HD13 LEU 62 3HD1 LEU 62 0.136 -8.743 3.839 500 HD21 LEU 62 3HD2 LEU 62 -1.971 -10.278 3.885 501 HD22 LEU 62 1HD2 LEU 62 -2.388 -9.663 2.286 502 HD23 LEU 62 2HD2 LEU 62 -3.545 -9.532 3.611 503 H THR 63 H THR 63 -2.766 -4.413 6.955 504 HA THR 63 HA THR 63 -4.638 -3.792 4.828 505 HB THR 63 HB THR 63 -5.760 -4.825 6.865 506 HG1 THR 63 1HG THR 63 -6.630 -2.160 6.323 507 HG21 THR 63 3HG2 THR 63 -5.215 -2.153 8.148 508 HG22 THR 63 1HG2 THR 63 -4.400 -3.655 8.609 509 HG23 THR 63 2HG2 THR 63 -6.140 -3.485 8.836 510 H ARG 64 H ARG 64 -2.244 -2.726 7.041 511 HA ARG 64 HA ARG 64 -2.359 0.047 6.103 512 HB2 ARG 64 2HB ARG 64 -1.476 -1.161 8.706 513 HB3 ARG 64 1HB ARG 64 -1.326 0.531 8.388 514 HG2 ARG 64 2HG ARG 64 -3.776 -1.147 8.929 515 HG3 ARG 64 1HG ARG 64 -3.252 0.313 9.749 516 HD2 ARG 64 2HD ARG 64 -3.925 1.703 7.924 517 HD3 ARG 64 1HD ARG 64 -4.183 0.310 6.879 518 HE ARG 64 HE ARG 64 -5.837 0.820 9.252 519 HH11 ARG 64 1HH1 ARG 64 -5.621 -0.185 5.811 520 HH12 ARG 64 2HH1 ARG 64 -7.332 -0.112 5.596 521 HH21 ARG 64 1HH2 ARG 64 -8.278 0.777 8.773 522 HH22 ARG 64 2HH2 ARG 64 -8.713 0.360 7.161 523 H GLY 65 H GLY 65 -0.316 0.848 5.419 524 HA2 GLY 65 2HA GLY 65 2.067 -0.736 5.840 525 HA3 GLY 65 1HA GLY 65 1.416 -0.863 4.229 526 H ARG 66 H ARG 66 3.652 0.022 3.861 527 HA ARG 66 HA ARG 66 3.419 2.922 3.619 528 HB2 ARG 66 2HB ARG 66 5.005 2.637 5.409 529 HB3 ARG 66 1HB ARG 66 5.872 1.390 4.525 530 HG2 ARG 66 2HG ARG 66 6.617 3.028 2.888 531 HG3 ARG 66 1HG ARG 66 5.689 4.283 3.696 532 HD2 ARG 66 2HD ARG 66 8.053 4.318 4.110 533 HD3 ARG 66 1HD ARG 66 7.103 4.180 5.607 534 HE ARG 66 HE ARG 66 8.093 1.709 4.405 535 HH11 ARG 66 1HH1 ARG 66 8.870 4.141 6.855 536 HH12 ARG 66 2HH1 ARG 66 9.780 3.053 7.818 537 HH21 ARG 66 1HH2 ARG 66 9.199 0.267 5.681 538 HH22 ARG 66 2HH2 ARG 66 10.001 0.710 7.107 539 H ILE 67 H ILE 67 4.269 3.783 1.778 540 HA ILE 67 HA ILE 67 4.566 1.955 -0.429 541 HB ILE 67 HB ILE 67 4.492 4.953 -0.257 542 HG12 ILE 67 2HG1 ILE 67 2.616 4.558 -1.969 543 HG13 ILE 67 1HG1 ILE 67 2.808 2.859 -1.520 544 HG21 ILE 67 1HG2 ILE 67 4.779 5.116 -2.677 545 HG22 ILE 67 2HG2 ILE 67 5.193 3.384 -2.706 546 HG23 ILE 67 3HG2 ILE 67 6.190 4.525 -1.792 547 HD11 ILE 67 3HD1 ILE 67 0.962 3.892 -0.305 548 HD12 ILE 67 1HD1 ILE 67 2.079 5.094 0.356 549 HD13 ILE 67 2HD1 ILE 67 2.273 3.403 0.781 550 H THR 68 H THR 68 6.364 1.110 -1.045 551 HA THR 68 HA THR 68 8.908 2.173 -0.092 552 HB THR 68 HB THR 68 9.757 0.077 -1.153 553 HG1 THR 68 1HG THR 68 8.062 -1.506 -1.593 554 HG21 THR 68 3HG2 THR 68 8.867 -1.399 0.604 555 HG22 THR 68 1HG2 THR 68 7.598 -0.219 0.927 556 HG23 THR 68 2HG2 THR 68 9.276 0.199 1.237 557 H TYR 69 H TYR 69 6.984 1.862 -2.962 558 HA TYR 69 HA TYR 69 8.872 3.330 -4.570 559 HB2 TYR 69 2HB TYR 69 9.632 1.010 -4.725 560 HB3 TYR 69 1HB TYR 69 8.016 0.510 -5.172 561 HD1 TYR 69 2HD TYR 69 10.685 2.851 -6.398 562 HD2 TYR 69 1HD TYR 69 7.528 0.181 -7.409 563 HE1 TYR 69 2HE TYR 69 11.198 3.149 -8.791 564 HE2 TYR 69 1HE TYR 69 8.030 0.475 -9.790 565 HH TYR 69 HH TYR 69 9.080 2.028 -11.248 566 H ARG 70 H ARG 70 7.862 4.250 -6.340 567 HA ARG 70 HA ARG 70 5.023 3.694 -6.700 568 HB2 ARG 70 2HB ARG 70 4.722 6.029 -7.419 569 HB3 ARG 70 1HB ARG 70 5.287 5.947 -5.761 570 HG2 ARG 70 2HG ARG 70 7.263 6.982 -6.242 571 HG3 ARG 70 1HG ARG 70 7.354 6.286 -7.864 572 HD2 ARG 70 2HD ARG 70 5.459 8.488 -7.020 573 HD3 ARG 70 1HD ARG 70 6.959 8.720 -7.929 574 HE ARG 70 HE ARG 70 5.929 7.177 -9.615 575 HH11 ARG 70 1HH1 ARG 70 3.906 9.498 -7.763 576 HH12 ARG 70 2HH1 ARG 70 2.556 9.219 -8.759 577 HH21 ARG 70 1HH2 ARG 70 4.050 6.945 -10.972 578 HH22 ARG 70 2HH2 ARG 70 2.633 7.811 -10.577 579 H TYR 71 H TYR 71 4.439 3.355 -8.846 580 HA TYR 71 HA TYR 71 6.651 2.802 -10.528 581 HB2 TYR 71 2HB TYR 71 3.686 2.530 -10.945 582 HB3 TYR 71 1HB TYR 71 4.850 2.193 -12.227 583 HD1 TYR 71 2HD TYR 71 6.489 0.377 -11.961 584 HD2 TYR 71 1HD TYR 71 3.387 0.990 -9.122 585 HE1 TYR 71 2HE TYR 71 6.882 -1.870 -11.058 586 HE2 TYR 71 1HE TYR 71 3.777 -1.253 -8.207 587 HH TYR 71 HH TYR 71 4.722 -3.408 -9.097 588 H LYS 72 H LYS 72 7.537 3.903 -12.010 589 HA LYS 72 HA LYS 72 6.357 6.424 -12.879 590 HB2 LYS 72 2HB LYS 72 8.558 7.394 -12.865 591 HB3 LYS 72 1HB LYS 72 8.453 6.542 -11.337 592 HG2 LYS 72 2HG LYS 72 10.497 5.753 -11.933 593 HG3 LYS 72 1HG LYS 72 9.557 4.605 -12.885 594 HD2 LYS 72 2HD LYS 72 9.732 6.780 -14.580 595 HD3 LYS 72 1HD LYS 72 11.299 6.799 -13.776 596 HE2 LYS 72 2HE LYS 72 11.549 5.490 -15.749 597 HE3 LYS 72 1HE LYS 72 11.510 4.355 -14.400 598 HZ1 LYS 72 3HZ LYS 72 9.150 3.916 -14.902 599 HZ2 LYS 72 1HZ LYS 72 10.053 3.611 -16.294 600 HZ3 LYS 72 2HZ LYS 72 9.123 5.028 -16.045 Start of MODEL 20 1 H1 MET 1 1HT MET 1 10.969 -13.490 7.509 2 H2 MET 1 2HT MET 1 10.142 -14.724 8.253 3 H3 MET 1 3HT MET 1 9.685 -14.196 6.714 4 HA MET 1 HA MET 1 12.297 -15.391 7.432 5 HB2 MET 1 2HB MET 1 10.011 -16.596 5.851 6 HB3 MET 1 1HB MET 1 11.617 -17.290 5.942 7 HG2 MET 1 2HG MET 1 10.134 -18.468 7.429 8 HG3 MET 1 1HG MET 1 11.327 -17.585 8.374 9 HE1 MET 1 2HE MET 1 8.639 -18.826 9.596 10 HE2 MET 1 3HE MET 1 8.115 -17.512 10.649 11 HE3 MET 1 1HE MET 1 9.822 -17.946 10.564 12 H ALA 2 H ALA 2 13.688 -14.134 6.377 13 HA ALA 2 HA ALA 2 14.996 -13.421 4.745 14 HB1 ALA 2 1HB ALA 2 13.217 -14.893 2.788 15 HB2 ALA 2 2HB ALA 2 14.606 -15.591 3.620 16 HB3 ALA 2 3HB ALA 2 14.839 -14.276 2.466 17 H LYS 3 H LYS 3 11.991 -13.330 2.944 18 HA LYS 3 HA LYS 3 12.277 -10.374 2.769 19 HB2 LYS 3 2HB LYS 3 10.360 -12.099 1.213 20 HB3 LYS 3 1HB LYS 3 10.752 -10.422 0.908 21 HG2 LYS 3 2HG LYS 3 13.019 -11.175 0.226 22 HG3 LYS 3 1HG LYS 3 12.467 -12.836 0.425 23 HD2 LYS 3 2HD LYS 3 11.334 -10.784 -1.505 24 HD3 LYS 3 1HD LYS 3 12.328 -12.168 -1.929 25 HE2 LYS 3 2HE LYS 3 10.140 -12.845 -2.494 26 HE3 LYS 3 1HE LYS 3 10.418 -13.603 -0.935 27 HZ1 LYS 3 3HZ LYS 3 9.060 -11.738 0.087 28 HZ2 LYS 3 1HZ LYS 3 8.167 -12.563 -1.076 29 HZ3 LYS 3 2HZ LYS 3 8.891 -11.069 -1.368 30 H GLN 4 H GLN 4 10.207 -13.089 3.440 31 HA GLN 4 HA GLN 4 7.946 -11.399 3.868 32 HB2 GLN 4 2HB GLN 4 8.171 -14.389 3.710 33 HB3 GLN 4 1HB GLN 4 6.659 -13.518 3.974 34 HG2 GLN 4 2HG GLN 4 6.815 -12.422 1.877 35 HG3 GLN 4 1HG GLN 4 8.459 -12.986 1.634 36 HE21 GLN 4 1HE2 GLN 4 5.883 -15.049 2.824 37 HE22 GLN 4 2HE2 GLN 4 5.786 -16.005 1.390 38 H ASP 5 H ASP 5 9.339 -10.656 5.556 39 HA ASP 5 HA ASP 5 8.170 -11.567 8.102 40 HB2 ASP 5 2HB ASP 5 10.540 -9.701 7.573 41 HB3 ASP 5 1HB ASP 5 9.917 -10.094 9.176 42 H VAL 6 H VAL 6 8.488 -9.396 5.605 43 HA VAL 6 HA VAL 6 6.200 -7.811 6.398 44 HB VAL 6 HB VAL 6 8.627 -6.888 4.769 45 HG11 VAL 6 1HG1 VAL 6 6.215 -5.335 5.688 46 HG12 VAL 6 2HG1 VAL 6 6.567 -5.847 4.038 47 HG13 VAL 6 3HG1 VAL 6 7.604 -4.663 4.832 48 HG21 VAL 6 3HG2 VAL 6 7.841 -6.037 7.558 49 HG22 VAL 6 1HG2 VAL 6 9.146 -5.334 6.601 50 HG23 VAL 6 2HG2 VAL 6 9.242 -7.016 7.127 51 H ILE 7 H ILE 7 4.821 -7.652 4.497 52 HA ILE 7 HA ILE 7 5.555 -9.587 2.417 53 HB ILE 7 HB ILE 7 2.808 -8.502 3.148 54 HG12 ILE 7 2HG1 ILE 7 3.675 -9.870 4.992 55 HG13 ILE 7 1HG1 ILE 7 2.346 -10.687 4.185 56 HG21 ILE 7 1HG2 ILE 7 2.950 -9.240 0.836 57 HG22 ILE 7 2HG2 ILE 7 1.935 -10.336 1.774 58 HG23 ILE 7 3HG2 ILE 7 3.583 -10.802 1.354 59 HD11 ILE 7 3HD1 ILE 7 3.976 -12.108 3.001 60 HD12 ILE 7 1HD1 ILE 7 4.104 -12.252 4.755 61 HD13 ILE 7 2HD1 ILE 7 5.282 -11.294 3.861 62 H GLU 8 H GLU 8 5.614 -8.882 0.291 63 HA GLU 8 HA GLU 8 5.315 -6.005 -0.095 64 HB2 GLU 8 2HB GLU 8 6.353 -7.918 -2.171 65 HB3 GLU 8 1HB GLU 8 6.725 -6.219 -1.966 66 HG2 GLU 8 2HG GLU 8 8.690 -7.053 -1.219 67 HG3 GLU 8 1HG GLU 8 7.803 -7.191 0.299 68 H LEU 9 H LEU 9 3.431 -5.359 -0.924 69 HA LEU 9 HA LEU 9 2.001 -7.183 -2.698 70 HB2 LEU 9 2HB LEU 9 0.779 -5.383 -0.601 71 HB3 LEU 9 1HB LEU 9 -0.126 -6.235 -1.828 72 HG LEU 9 HG LEU 9 1.388 -7.460 0.491 73 HD11 LEU 9 1HD1 LEU 9 -0.731 -6.472 1.087 74 HD12 LEU 9 2HD1 LEU 9 -0.810 -8.232 1.169 75 HD13 LEU 9 3HD1 LEU 9 -1.532 -7.380 -0.194 76 HD21 LEU 9 3HD2 LEU 9 1.639 -8.899 -1.475 77 HD22 LEU 9 1HD2 LEU 9 -0.101 -8.818 -1.767 78 HD23 LEU 9 2HD2 LEU 9 0.516 -9.615 -0.322 79 H GLU 10 H GLU 10 0.500 -6.108 -4.089 80 HA GLU 10 HA GLU 10 1.533 -3.538 -5.028 81 HB2 GLU 10 2HB GLU 10 0.403 -5.966 -6.339 82 HB3 GLU 10 1HB GLU 10 0.163 -4.406 -7.106 83 HG2 GLU 10 2HG GLU 10 2.864 -5.465 -6.329 84 HG3 GLU 10 1HG GLU 10 2.130 -5.725 -7.916 85 H GLY 11 H GLY 11 0.058 -1.901 -5.472 86 HA2 GLY 11 2HA GLY 11 -2.764 -2.457 -5.269 87 HA3 GLY 11 1HA GLY 11 -2.124 -1.427 -4.001 88 H THR 12 H THR 12 -3.970 -0.385 -5.422 89 HA THR 12 HA THR 12 -2.612 1.541 -7.193 90 HB THR 12 HB THR 12 -5.429 0.563 -7.435 91 HG1 THR 12 1HG THR 12 -3.994 -1.166 -8.004 92 HG21 THR 12 3HG2 THR 12 -5.348 1.643 -9.665 93 HG22 THR 12 1HG2 THR 12 -3.671 2.114 -9.357 94 HG23 THR 12 2HG2 THR 12 -4.959 2.785 -8.371 95 H VAL 13 H VAL 13 -2.974 3.580 -6.481 96 HA VAL 13 HA VAL 13 -4.741 3.832 -4.198 97 HB VAL 13 HB VAL 13 -2.552 4.676 -3.741 98 HG11 VAL 13 1HG1 VAL 13 -1.561 6.486 -4.932 99 HG12 VAL 13 2HG1 VAL 13 -2.833 6.350 -6.174 100 HG13 VAL 13 3HG1 VAL 13 -1.727 4.991 -5.847 101 HG21 VAL 13 3HG2 VAL 13 -2.986 7.036 -3.164 102 HG22 VAL 13 1HG2 VAL 13 -4.327 5.972 -2.723 103 HG23 VAL 13 2HG2 VAL 13 -4.450 6.972 -4.156 104 H LEU 14 H LEU 14 -6.557 4.882 -4.138 105 HA LEU 14 HA LEU 14 -7.350 6.118 -6.658 106 HB2 LEU 14 2HB LEU 14 -9.097 5.072 -4.442 107 HB3 LEU 14 1HB LEU 14 -9.687 5.867 -5.883 108 HG LEU 14 HG LEU 14 -8.239 3.220 -5.778 109 HD11 LEU 14 1HD1 LEU 14 -10.522 3.092 -4.977 110 HD12 LEU 14 2HD1 LEU 14 -10.367 2.299 -6.542 111 HD13 LEU 14 3HD1 LEU 14 -11.098 3.901 -6.434 112 HD21 LEU 14 3HD2 LEU 14 -9.343 4.739 -8.148 113 HD22 LEU 14 1HD2 LEU 14 -8.744 3.079 -8.188 114 HD23 LEU 14 2HD2 LEU 14 -7.641 4.398 -7.821 115 H ASP 15 H ASP 15 -7.021 6.867 -3.233 116 HA ASP 15 HA ASP 15 -7.680 9.629 -3.939 117 HB2 ASP 15 2HB ASP 15 -8.809 8.187 -1.541 118 HB3 ASP 15 1HB ASP 15 -8.904 9.917 -1.780 119 H THR 16 H THR 16 -6.904 11.185 -2.401 120 HA THR 16 HA THR 16 -4.307 10.369 -1.350 121 HB THR 16 HB THR 16 -3.986 12.896 -1.324 122 HG1 THR 16 1HG THR 16 -6.344 13.209 -1.467 123 HG21 THR 16 3HG2 THR 16 -3.093 11.434 -3.104 124 HG22 THR 16 1HG2 THR 16 -3.594 13.003 -3.744 125 HG23 THR 16 2HG2 THR 16 -4.621 11.585 -3.967 126 H LEU 17 H LEU 17 -3.824 10.557 0.817 127 HA LEU 17 HA LEU 17 -5.907 11.659 2.533 128 HB2 LEU 17 2HB LEU 17 -3.831 9.561 3.088 129 HB3 LEU 17 1HB LEU 17 -4.882 10.224 4.324 130 HG LEU 17 HG LEU 17 -5.585 8.346 2.046 131 HD11 LEU 17 1HD1 LEU 17 -6.352 6.948 3.868 132 HD12 LEU 17 2HD1 LEU 17 -5.796 8.155 5.025 133 HD13 LEU 17 3HD1 LEU 17 -4.638 7.332 3.983 134 HD21 LEU 17 3HD2 LEU 17 -7.484 9.774 3.928 135 HD22 LEU 17 1HD2 LEU 17 -7.914 8.498 2.787 136 HD23 LEU 17 2HD2 LEU 17 -7.358 10.057 2.189 137 HA PRO 18 HA PRO 18 -2.890 14.652 3.843 138 HB2 PRO 18 2HB PRO 18 -3.747 15.161 6.371 139 HB3 PRO 18 1HB PRO 18 -4.620 15.756 4.943 140 HG2 PRO 18 2HG PRO 18 -5.231 13.413 6.661 141 HG3 PRO 18 1HG PRO 18 -6.334 14.595 5.926 142 HD2 PRO 18 2HD PRO 18 -5.940 12.125 4.887 143 HD3 PRO 18 1HD PRO 18 -6.349 13.540 3.899 144 H ASN 19 H ASN 19 -1.068 14.887 5.082 145 HA ASN 19 HA ASN 19 0.684 14.435 6.444 146 HB2 ASN 19 2HB ASN 19 -1.069 14.004 8.226 147 HB3 ASN 19 1HB ASN 19 -1.014 12.303 7.777 148 HD21 ASN 19 1HD2 ASN 19 -0.358 11.726 9.863 149 HD22 ASN 19 2HD2 ASN 19 1.253 12.027 10.425 150 H ALA 20 H ALA 20 0.537 13.289 3.931 151 HA ALA 20 HA ALA 20 1.784 11.961 2.586 152 HB1 ALA 20 1HB ALA 20 3.839 10.945 3.474 153 HB2 ALA 20 2HB ALA 20 3.277 11.229 5.120 154 HB3 ALA 20 3HB ALA 20 3.644 12.596 4.068 155 H MET 21 H MET 21 -0.616 10.955 3.956 156 HA MET 21 HA MET 21 -0.129 8.056 3.943 157 HB2 MET 21 2HB MET 21 -1.551 9.579 5.817 158 HB3 MET 21 1HB MET 21 -2.754 9.106 4.615 159 HG2 MET 21 2HG MET 21 -2.818 7.632 6.434 160 HG3 MET 21 1HG MET 21 -2.303 6.788 4.966 161 HE1 MET 21 3HE MET 21 -2.056 5.543 7.880 162 HE2 MET 21 1HE MET 21 -0.436 4.849 7.810 163 HE3 MET 21 2HE MET 21 -1.512 4.720 6.418 164 H PHE 22 H PHE 22 -1.668 6.901 2.664 165 HA PHE 22 HA PHE 22 -3.344 8.416 0.820 166 HB2 PHE 22 2HB PHE 22 -1.183 6.464 -0.046 167 HB3 PHE 22 1HB PHE 22 -2.531 6.904 -1.076 168 HD1 PHE 22 2HD PHE 22 0.520 8.164 0.574 169 HD2 PHE 22 1HD PHE 22 -2.523 8.961 -2.286 170 HE1 PHE 22 2HE PHE 22 1.818 10.073 -0.275 171 HE2 PHE 22 1HE PHE 22 -1.211 10.867 -3.141 172 HZ PHE 22 HZ PHE 22 0.947 11.422 -2.135 173 H LYS 23 H LYS 23 -5.135 7.149 0.093 174 HA LYS 23 HA LYS 23 -5.168 4.631 1.498 175 HB2 LYS 23 2HB LYS 23 -7.554 4.671 1.704 176 HB3 LYS 23 1HB LYS 23 -7.043 6.289 2.095 177 HG2 LYS 23 2HG LYS 23 -8.949 6.611 0.840 178 HG3 LYS 23 1HG LYS 23 -7.665 6.818 -0.356 179 HD2 LYS 23 2HD LYS 23 -7.960 4.497 -1.080 180 HD3 LYS 23 1HD LYS 23 -9.234 4.278 0.120 181 HE2 LYS 23 2HE LYS 23 -10.596 5.919 -0.978 182 HE3 LYS 23 1HE LYS 23 -9.288 6.290 -2.100 183 HZ1 LYS 23 3HZ LYS 23 -9.441 4.036 -2.946 184 HZ2 LYS 23 1HZ LYS 23 -10.913 4.857 -3.111 185 HZ3 LYS 23 2HZ LYS 23 -10.592 3.641 -1.903 186 H VAL 24 H VAL 24 -4.906 3.039 0.474 187 HA VAL 24 HA VAL 24 -4.960 3.141 -2.500 188 HB VAL 24 HB VAL 24 -3.115 1.444 -0.797 189 HG11 VAL 24 1HG1 VAL 24 -3.371 0.598 -2.996 190 HG12 VAL 24 2HG1 VAL 24 -1.744 1.235 -2.756 191 HG13 VAL 24 3HG1 VAL 24 -2.927 2.162 -3.678 192 HG21 VAL 24 3HG2 VAL 24 -1.296 3.063 -1.308 193 HG22 VAL 24 1HG2 VAL 24 -2.538 3.686 -0.221 194 HG23 VAL 24 2HG2 VAL 24 -2.532 4.182 -1.898 195 H GLU 25 H GLU 25 -5.750 1.376 -3.572 196 HA GLU 25 HA GLU 25 -7.019 -0.593 -1.873 197 HB2 GLU 25 2HB GLU 25 -7.655 0.466 -4.581 198 HB3 GLU 25 1HB GLU 25 -8.059 -1.204 -4.226 199 HG2 GLU 25 2HG GLU 25 -9.992 0.090 -3.815 200 HG3 GLU 25 1HG GLU 25 -9.301 -0.440 -2.285 201 H LEU 26 H LEU 26 -6.348 -2.486 -1.876 202 HA LEU 26 HA LEU 26 -3.965 -3.344 -3.268 203 HB2 LEU 26 2HB LEU 26 -6.024 -4.935 -1.736 204 HB3 LEU 26 1HB LEU 26 -4.596 -5.649 -2.446 205 HG LEU 26 HG LEU 26 -4.563 -3.538 -0.287 206 HD11 LEU 26 1HD1 LEU 26 -3.898 -5.381 1.188 207 HD12 LEU 26 2HD1 LEU 26 -4.122 -6.526 -0.135 208 HD13 LEU 26 3HD1 LEU 26 -5.507 -5.652 0.519 209 HD21 LEU 26 3HD2 LEU 26 -2.561 -3.501 -1.672 210 HD22 LEU 26 1HD2 LEU 26 -2.388 -5.248 -1.494 211 HD23 LEU 26 2HD2 LEU 26 -2.195 -4.199 -0.096 212 H GLU 27 H GLU 27 -3.870 -5.176 -4.784 213 HA GLU 27 HA GLU 27 -5.450 -5.023 -7.060 214 HB2 GLU 27 2HB GLU 27 -4.147 -7.573 -6.100 215 HB3 GLU 27 1HB GLU 27 -4.437 -7.080 -7.757 216 HG2 GLU 27 2HG GLU 27 -2.477 -5.823 -5.848 217 HG3 GLU 27 1HG GLU 27 -2.089 -6.924 -7.159 218 H ASN 28 H ASN 28 -6.033 -6.603 -4.122 219 HA ASN 28 HA ASN 28 -8.053 -8.499 -4.952 220 HB2 ASN 28 2HB ASN 28 -6.582 -8.915 -3.027 221 HB3 ASN 28 1HB ASN 28 -7.218 -7.498 -2.219 222 HD21 ASN 28 1HD2 ASN 28 -9.175 -9.917 -3.957 223 HD22 ASN 28 2HD2 ASN 28 -9.968 -10.475 -2.531 224 H GLY 29 H GLY 29 -8.085 -5.127 -4.542 225 HA2 GLY 29 2HA GLY 29 -9.928 -3.732 -4.739 226 HA3 GLY 29 1HA GLY 29 -10.980 -5.115 -4.469 227 H HIS 30 H HIS 30 -8.508 -4.893 -2.199 228 HA HIS 30 HA HIS 30 -10.432 -4.189 -0.125 229 HB2 HIS 30 2HB HIS 30 -8.663 -6.160 -0.066 230 HB3 HIS 30 1HB HIS 30 -7.584 -4.805 0.287 231 HD1 HIS 30 1HD HIS 30 -7.018 -4.652 2.695 232 HD2 HIS 30 2HD HIS 30 -11.015 -5.634 2.060 233 HE1 HIS 30 1HE HIS 30 -8.052 -4.701 4.938 234 HE2 HIS 30 2HE HIS 30 -10.422 -4.504 4.256 235 H GLU 31 H GLU 31 -9.925 -2.565 1.390 236 HA GLU 31 HA GLU 31 -8.525 -0.329 0.285 237 HB2 GLU 31 2HB GLU 31 -9.747 0.900 1.948 238 HB3 GLU 31 1HB GLU 31 -10.861 -0.210 1.173 239 HG2 GLU 31 2HG GLU 31 -9.533 -0.695 3.817 240 HG3 GLU 31 1HG GLU 31 -11.177 -0.021 3.685 241 H ILE 32 H ILE 32 -6.687 0.414 1.153 242 HA ILE 32 HA ILE 32 -5.846 -0.499 3.778 243 HB ILE 32 HB ILE 32 -3.477 -0.724 2.944 244 HG12 ILE 32 2HG1 ILE 32 -4.757 -0.841 0.236 245 HG13 ILE 32 1HG1 ILE 32 -3.915 0.579 0.900 246 HG21 ILE 32 1HG2 ILE 32 -5.516 -2.616 1.811 247 HG22 ILE 32 2HG2 ILE 32 -4.670 -2.757 3.359 248 HG23 ILE 32 3HG2 ILE 32 -3.793 -2.943 1.844 249 HD11 ILE 32 3HD1 ILE 32 -2.494 -0.709 -0.643 250 HD12 ILE 32 1HD1 ILE 32 -2.697 -2.130 0.377 251 HD13 ILE 32 2HD1 ILE 32 -1.848 -0.716 0.999 252 H LEU 33 H LEU 33 -4.711 0.989 4.866 253 HA LEU 33 HA LEU 33 -4.483 3.725 3.690 254 HB2 LEU 33 2HB LEU 33 -4.280 2.785 6.557 255 HB3 LEU 33 1HB LEU 33 -4.358 4.441 5.984 256 HG LEU 33 HG LEU 33 -6.596 2.449 5.727 257 HD11 LEU 33 1HD1 LEU 33 -7.680 3.738 7.537 258 HD12 LEU 33 2HD1 LEU 33 -6.213 4.703 7.710 259 HD13 LEU 33 3HD1 LEU 33 -6.185 2.978 8.079 260 HD21 LEU 33 3HD2 LEU 33 -7.965 4.409 5.204 261 HD22 LEU 33 1HD2 LEU 33 -6.658 4.200 4.039 262 HD23 LEU 33 2HD2 LEU 33 -6.533 5.430 5.300 263 H ALA 34 H ALA 34 -2.548 4.255 3.109 264 HA ALA 34 HA ALA 34 -0.363 2.734 4.314 265 HB1 ALA 34 1HB ALA 34 0.652 2.496 2.144 266 HB2 ALA 34 2HB ALA 34 -0.707 3.340 1.402 267 HB3 ALA 34 3HB ALA 34 -0.955 1.774 2.171 268 H HIS 35 H HIS 35 1.649 3.722 4.227 269 HA HIS 35 HA HIS 35 1.473 6.657 4.025 270 HB2 HIS 35 2HB HIS 35 1.731 5.564 6.338 271 HB3 HIS 35 1HB HIS 35 3.342 5.105 5.806 272 HD1 HIS 35 1HD HIS 35 1.286 8.048 6.806 273 HD2 HIS 35 2HD HIS 35 5.214 7.200 5.787 274 HE1 HIS 35 1HE HIS 35 2.609 10.068 7.498 275 HE2 HIS 35 2HE HIS 35 4.898 9.638 6.580 276 H VAL 36 H VAL 36 3.032 7.632 2.837 277 HA VAL 36 HA VAL 36 4.763 5.903 1.335 278 HB VAL 36 HB VAL 36 5.476 7.950 0.112 279 HG11 VAL 36 1HG1 VAL 36 3.694 6.592 -0.751 280 HG12 VAL 36 2HG1 VAL 36 3.313 8.296 -1.020 281 HG13 VAL 36 3HG1 VAL 36 2.529 7.409 0.287 282 HG21 VAL 36 3HG2 VAL 36 3.385 9.313 1.813 283 HG22 VAL 36 1HG2 VAL 36 4.201 10.029 0.424 284 HG23 VAL 36 2HG2 VAL 36 5.123 9.611 1.870 285 H SER 37 H SER 37 6.972 6.067 1.173 286 HA SER 37 HA SER 37 8.247 6.140 3.666 287 HB2 SER 37 2HB SER 37 10.286 5.702 2.427 288 HB3 SER 37 1HB SER 37 8.970 4.758 1.726 289 HG SER 37 HG SER 37 9.153 5.825 -0.058 290 H GLY 38 H GLY 38 10.065 7.479 4.282 291 HA2 GLY 38 2HA GLY 38 9.638 10.220 4.153 292 HA3 GLY 38 1HA GLY 38 11.131 9.443 4.661 293 H LYS 39 H LYS 39 11.102 8.115 1.815 294 HA LYS 39 HA LYS 39 12.867 10.059 0.698 295 HB2 LYS 39 2HB LYS 39 13.209 7.605 0.409 296 HB3 LYS 39 1HB LYS 39 11.737 7.542 -0.552 297 HG2 LYS 39 2HG LYS 39 12.767 9.136 -2.145 298 HG3 LYS 39 1HG LYS 39 14.260 9.035 -1.219 299 HD2 LYS 39 2HD LYS 39 14.373 6.630 -1.674 300 HD3 LYS 39 1HD LYS 39 12.875 6.741 -2.601 301 HE2 LYS 39 2HE LYS 39 15.482 8.126 -3.230 302 HE3 LYS 39 1HE LYS 39 14.782 6.764 -4.106 303 HZ1 LYS 39 3HZ LYS 39 12.872 8.229 -4.660 304 HZ2 LYS 39 1HZ LYS 39 14.341 8.811 -5.277 305 HZ3 LYS 39 2HZ LYS 39 13.675 9.517 -3.908 306 H ILE 40 H ILE 40 9.636 8.847 0.060 307 HA ILE 40 HA ILE 40 9.175 10.442 -2.228 308 HB ILE 40 HB ILE 40 7.378 8.872 -0.391 309 HG12 ILE 40 2HG1 ILE 40 7.874 8.662 -3.331 310 HG13 ILE 40 1HG1 ILE 40 8.857 7.801 -2.147 311 HG21 ILE 40 1HG2 ILE 40 6.065 10.826 -1.044 312 HG22 ILE 40 2HG2 ILE 40 5.464 9.381 -1.855 313 HG23 ILE 40 3HG2 ILE 40 6.453 10.542 -2.739 314 HD11 ILE 40 3HD1 ILE 40 6.847 6.589 -1.413 315 HD12 ILE 40 1HD1 ILE 40 7.158 6.348 -3.131 316 HD13 ILE 40 2HD1 ILE 40 5.889 7.461 -2.607 317 H ARG 41 H ARG 41 8.470 10.801 1.167 318 HA ARG 41 HA ARG 41 7.004 13.174 1.017 319 HB2 ARG 41 2HB ARG 41 7.139 11.707 3.034 320 HB3 ARG 41 1HB ARG 41 8.791 12.225 3.291 321 HG2 ARG 41 2HG ARG 41 6.473 14.161 3.320 322 HG3 ARG 41 1HG ARG 41 6.990 13.285 4.758 323 HD2 ARG 41 2HD ARG 41 9.126 14.343 4.721 324 HD3 ARG 41 1HD ARG 41 8.837 15.004 3.116 325 HE ARG 41 HE ARG 41 7.300 15.827 5.481 326 HH11 ARG 41 1HH1 ARG 41 9.119 16.613 2.531 327 HH12 ARG 41 2HH1 ARG 41 8.936 18.289 2.657 328 HH21 ARG 41 1HH2 ARG 41 7.029 18.214 5.667 329 HH22 ARG 41 2HH2 ARG 41 7.730 19.211 4.475 330 H MET 42 H MET 42 10.524 12.628 1.423 331 HA MET 42 HA MET 42 11.096 15.425 1.499 332 HB2 MET 42 2HB MET 42 12.973 13.081 1.309 333 HB3 MET 42 1HB MET 42 13.494 14.754 1.439 334 HG2 MET 42 2HG MET 42 11.918 13.185 3.467 335 HG3 MET 42 1HG MET 42 13.594 13.709 3.599 336 HE1 MET 42 3HE MET 42 11.487 14.234 5.899 337 HE2 MET 42 1HE MET 42 11.867 15.906 6.315 338 HE3 MET 42 2HE MET 42 13.168 14.767 5.959 339 H ASN 43 H ASN 43 11.106 13.049 -1.083 340 HA ASN 43 HA ASN 43 12.466 14.929 -2.839 341 HB2 ASN 43 2HB ASN 43 11.318 12.190 -3.444 342 HB3 ASN 43 1HB ASN 43 12.072 13.215 -4.651 343 HD21 ASN 43 1HD2 ASN 43 14.110 14.120 -2.663 344 HD22 ASN 43 2HD2 ASN 43 15.214 12.812 -2.516 345 H TYR 44 H TYR 44 9.433 14.639 -1.728 346 HA TYR 44 HA TYR 44 7.418 15.357 -2.248 347 HB2 TYR 44 2HB TYR 44 9.202 17.072 -3.800 348 HB3 TYR 44 1HB TYR 44 7.446 17.427 -3.808 349 HD1 TYR 44 1HD TYR 44 6.425 17.806 -1.447 350 HD2 TYR 44 2HD TYR 44 10.611 17.881 -2.186 351 HE1 TYR 44 1HE TYR 44 6.773 18.998 0.673 352 HE2 TYR 44 2HE TYR 44 10.972 19.074 -0.069 353 HH TYR 44 HH TYR 44 9.712 20.479 1.474 354 H ILE 45 H ILE 45 8.439 13.143 -3.781 355 HA ILE 45 HA ILE 45 7.245 13.442 -6.362 356 HB ILE 45 HB ILE 45 7.737 10.950 -6.646 357 HG12 ILE 45 2HG1 ILE 45 9.340 11.452 -4.125 358 HG13 ILE 45 1HG1 ILE 45 7.934 10.401 -4.261 359 HG21 ILE 45 1HG2 ILE 45 9.098 12.668 -7.667 360 HG22 ILE 45 2HG2 ILE 45 10.127 11.363 -7.076 361 HG23 ILE 45 3HG2 ILE 45 10.011 12.871 -6.172 362 HD11 ILE 45 3HD1 ILE 45 9.179 8.937 -5.777 363 HD12 ILE 45 1HD1 ILE 45 10.020 9.126 -4.238 364 HD13 ILE 45 2HD1 ILE 45 10.578 10.005 -5.661 365 H ARG 46 H ARG 46 5.357 13.992 -6.036 366 HA ARG 46 HA ARG 46 3.463 12.872 -4.258 367 HB2 ARG 46 2HB ARG 46 2.975 14.577 -6.687 368 HB3 ARG 46 1HB ARG 46 1.875 14.335 -5.342 369 HG2 ARG 46 2HG ARG 46 3.379 15.499 -3.853 370 HG3 ARG 46 1HG ARG 46 4.577 15.643 -5.140 371 HD2 ARG 46 2HD ARG 46 2.923 16.942 -6.456 372 HD3 ARG 46 1HD ARG 46 1.836 16.890 -5.070 373 HE ARG 46 HE ARG 46 4.269 17.861 -4.197 374 HH11 ARG 46 1HH1 ARG 46 1.678 18.884 -6.377 375 HH12 ARG 46 2HH1 ARG 46 1.930 20.553 -6.199 376 HH21 ARG 46 1HH2 ARG 46 4.660 20.208 -3.923 377 HH22 ARG 46 2HH2 ARG 46 3.693 21.332 -4.746 378 H ILE 47 H ILE 47 2.192 11.188 -4.495 379 HA ILE 47 HA ILE 47 1.965 9.892 -7.063 380 HB ILE 47 HB ILE 47 0.853 9.050 -4.348 381 HG12 ILE 47 2HG1 ILE 47 2.567 7.156 -4.583 382 HG13 ILE 47 1HG1 ILE 47 3.315 8.136 -5.836 383 HG21 ILE 47 1HG2 ILE 47 0.447 6.878 -5.398 384 HG22 ILE 47 2HG2 ILE 47 0.974 7.555 -6.942 385 HG23 ILE 47 3HG2 ILE 47 -0.475 8.181 -6.158 386 HD11 ILE 47 3HD1 ILE 47 3.742 9.886 -4.209 387 HD12 ILE 47 1HD1 ILE 47 4.455 8.353 -3.715 388 HD13 ILE 47 2HD1 ILE 47 2.961 8.921 -2.958 389 H LEU 48 H LEU 48 0.177 10.015 -8.261 390 HA LEU 48 HA LEU 48 -1.933 11.834 -7.384 391 HB2 LEU 48 2HB LEU 48 -0.647 12.247 -9.499 392 HB3 LEU 48 1HB LEU 48 -1.287 10.746 -10.130 393 HG LEU 48 HG LEU 48 -3.587 11.751 -9.860 394 HD11 LEU 48 1HD1 LEU 48 -2.008 14.301 -9.531 395 HD12 LEU 48 2HD1 LEU 48 -2.977 13.539 -8.283 396 HD13 LEU 48 3HD1 LEU 48 -3.756 14.184 -9.728 397 HD21 LEU 48 3HD2 LEU 48 -2.497 11.560 -12.024 398 HD22 LEU 48 1HD2 LEU 48 -1.650 13.083 -11.752 399 HD23 LEU 48 2HD2 LEU 48 -3.405 13.069 -11.926 400 HA PRO 49 HA PRO 49 -4.955 8.451 -6.814 401 HB2 PRO 49 2HB PRO 49 -6.517 10.495 -8.373 402 HB3 PRO 49 1HB PRO 49 -7.045 9.515 -6.985 403 HG2 PRO 49 2HG PRO 49 -6.399 11.978 -6.561 404 HG3 PRO 49 1HG PRO 49 -5.798 10.706 -5.468 405 HD2 PRO 49 2HD PRO 49 -4.331 12.237 -7.562 406 HD3 PRO 49 1HD PRO 49 -3.737 11.615 -6.007 407 H GLY 50 H GLY 50 -5.029 6.702 -8.096 408 HA2 GLY 50 2HA GLY 50 -5.757 5.619 -10.083 409 HA3 GLY 50 1HA GLY 50 -5.310 7.061 -10.988 410 H ASP 51 H ASP 51 -2.869 6.780 -8.861 411 HA ASP 51 HA ASP 51 -1.232 5.527 -10.870 412 HB2 ASP 51 2HB ASP 51 -0.642 7.632 -9.258 413 HB3 ASP 51 1HB ASP 51 0.076 6.296 -8.347 414 H LYS 52 H LYS 52 0.467 4.041 -10.189 415 HA LYS 52 HA LYS 52 -0.851 1.810 -8.783 416 HB2 LYS 52 2HB LYS 52 0.156 2.086 -11.362 417 HB3 LYS 52 1HB LYS 52 1.434 1.243 -10.511 418 HG2 LYS 52 2HG LYS 52 -1.434 0.358 -10.698 419 HG3 LYS 52 1HG LYS 52 -0.096 -0.270 -11.659 420 HD2 LYS 52 2HD LYS 52 0.994 -1.036 -9.611 421 HD3 LYS 52 1HD LYS 52 -0.365 -0.422 -8.666 422 HE2 LYS 52 2HE LYS 52 -1.869 -1.919 -9.866 423 HE3 LYS 52 1HE LYS 52 -0.503 -2.537 -10.797 424 HZ1 LYS 52 3HZ LYS 52 -1.040 -3.971 -8.984 425 HZ2 LYS 52 1HZ LYS 52 -0.880 -2.714 -7.891 426 HZ3 LYS 52 2HZ LYS 52 0.501 -3.253 -8.713 427 H VAL 53 H VAL 53 0.292 1.007 -6.946 428 HA VAL 53 HA VAL 53 3.053 1.889 -6.654 429 HB VAL 53 HB VAL 53 2.688 2.511 -4.272 430 HG11 VAL 53 1HG1 VAL 53 2.940 4.258 -5.948 431 HG12 VAL 53 2HG1 VAL 53 1.777 4.762 -4.722 432 HG13 VAL 53 3HG1 VAL 53 1.212 4.202 -6.298 433 HG21 VAL 53 3HG2 VAL 53 -0.232 2.447 -5.047 434 HG22 VAL 53 1HG2 VAL 53 0.400 3.133 -3.551 435 HG23 VAL 53 2HG2 VAL 53 0.566 1.407 -3.870 436 H THR 54 H THR 54 4.313 0.788 -5.175 437 HA THR 54 HA THR 54 3.410 -1.908 -4.578 438 HB THR 54 HB THR 54 6.196 -0.724 -4.473 439 HG1 THR 54 1HG THR 54 4.786 -2.096 -6.538 440 HG21 THR 54 3HG2 THR 54 5.899 -2.826 -3.213 441 HG22 THR 54 1HG2 THR 54 6.911 -3.079 -4.637 442 HG23 THR 54 2HG2 THR 54 5.224 -3.590 -4.652 443 H VAL 55 H VAL 55 2.908 -2.399 -2.555 444 HA VAL 55 HA VAL 55 3.621 -0.520 -0.439 445 HB VAL 55 HB VAL 55 1.214 -0.427 -0.986 446 HG11 VAL 55 1HG1 VAL 55 0.828 -2.720 -1.760 447 HG12 VAL 55 2HG1 VAL 55 -0.306 -2.274 -0.486 448 HG13 VAL 55 3HG1 VAL 55 1.048 -3.314 -0.113 449 HG21 VAL 55 3HG2 VAL 55 0.339 -0.721 1.282 450 HG22 VAL 55 1HG2 VAL 55 1.915 0.069 1.278 451 HG23 VAL 55 2HG2 VAL 55 1.789 -1.636 1.704 452 H GLU 56 H GLU 56 4.718 -1.263 1.162 453 HA GLU 56 HA GLU 56 5.138 -4.125 1.534 454 HB2 GLU 56 2HB GLU 56 6.332 -1.692 2.849 455 HB3 GLU 56 1HB GLU 56 6.878 -3.348 3.061 456 HG2 GLU 56 2HG GLU 56 7.822 -3.443 0.961 457 HG3 GLU 56 1HG GLU 56 6.815 -2.122 0.349 458 H MET 57 H MET 57 4.098 -5.119 3.188 459 HA MET 57 HA MET 57 3.183 -3.539 5.421 460 HB2 MET 57 2HB MET 57 0.886 -4.662 5.269 461 HB3 MET 57 1HB MET 57 1.218 -3.260 4.256 462 HG2 MET 57 2HG MET 57 1.557 -4.781 2.369 463 HG3 MET 57 1HG MET 57 1.244 -6.156 3.432 464 HE1 MET 57 3HE MET 57 -0.697 -2.720 3.767 465 HE2 MET 57 1HE MET 57 -1.961 -2.939 2.576 466 HE3 MET 57 2HE MET 57 -0.283 -2.786 2.054 467 H SER 58 H SER 58 2.658 -4.673 7.264 468 HA SER 58 HA SER 58 4.261 -6.978 7.601 469 HB2 SER 58 2HB SER 58 2.209 -5.908 9.507 470 HB3 SER 58 1HB SER 58 3.752 -6.684 9.881 471 HG SER 58 HG SER 58 3.116 -4.139 9.433 472 HA PRO 59 HA PRO 59 1.084 -10.133 6.860 473 HB2 PRO 59 2HB PRO 59 2.137 -11.486 9.292 474 HB3 PRO 59 1HB PRO 59 2.016 -12.112 7.635 475 HG2 PRO 59 2HG PRO 59 4.368 -11.479 8.641 476 HG3 PRO 59 1HG PRO 59 3.971 -11.131 6.946 477 HD2 PRO 59 2HD PRO 59 4.096 -9.263 9.266 478 HD3 PRO 59 1HD PRO 59 4.600 -9.023 7.580 479 H TYR 60 H TYR 60 1.453 -8.409 9.756 480 HA TYR 60 HA TYR 60 -1.028 -9.315 10.989 481 HB2 TYR 60 2HB TYR 60 0.959 -9.026 12.414 482 HB3 TYR 60 1HB TYR 60 1.106 -7.356 11.903 483 HD1 TYR 60 1HD TYR 60 -1.155 -9.692 13.723 484 HD2 TYR 60 2HD TYR 60 0.067 -5.655 13.153 485 HE1 TYR 60 1HE TYR 60 -2.526 -9.007 15.649 486 HE2 TYR 60 2HE TYR 60 -1.301 -4.962 15.071 487 HH TYR 60 HH TYR 60 -2.626 -7.163 17.278 488 H ASP 61 H ASP 61 -0.149 -7.143 8.621 489 HA ASP 61 HA ASP 61 -2.124 -5.188 9.484 490 HB2 ASP 61 2HB ASP 61 0.152 -4.867 7.542 491 HB3 ASP 61 1HB ASP 61 -1.194 -3.741 7.581 492 H LEU 62 H LEU 62 -1.155 -5.539 6.173 493 HA LEU 62 HA LEU 62 -2.312 -5.533 4.304 494 HB2 LEU 62 2HB LEU 62 -3.688 -7.801 5.702 495 HB3 LEU 62 1HB LEU 62 -4.234 -7.298 4.115 496 HG LEU 62 HG LEU 62 -1.879 -7.672 3.285 497 HD11 LEU 62 1HD1 LEU 62 -0.680 -7.607 5.381 498 HD12 LEU 62 2HD1 LEU 62 -0.419 -9.150 4.569 499 HD13 LEU 62 3HD1 LEU 62 -1.525 -9.050 5.939 500 HD21 LEU 62 3HD2 LEU 62 -3.368 -10.054 4.386 501 HD22 LEU 62 1HD2 LEU 62 -2.131 -10.107 3.131 502 HD23 LEU 62 2HD2 LEU 62 -3.650 -9.263 2.835 503 H THR 63 H THR 63 -3.395 -4.106 6.687 504 HA THR 63 HA THR 63 -5.504 -2.824 5.161 505 HB THR 63 HB THR 63 -6.734 -3.785 6.923 506 HG1 THR 63 1HG THR 63 -7.279 -1.624 6.776 507 HG21 THR 63 3HG2 THR 63 -4.605 -2.903 8.876 508 HG22 THR 63 1HG2 THR 63 -4.927 -4.549 8.341 509 HG23 THR 63 2HG2 THR 63 -6.121 -3.687 9.310 510 H ARG 64 H ARG 64 -2.446 -2.570 6.703 511 HA ARG 64 HA ARG 64 -2.390 0.260 6.077 512 HB2 ARG 64 2HB ARG 64 -1.156 -1.021 8.542 513 HB3 ARG 64 1HB ARG 64 -0.708 0.557 7.943 514 HG2 ARG 64 2HG ARG 64 -2.149 1.024 9.704 515 HG3 ARG 64 1HG ARG 64 -3.147 1.166 8.251 516 HD2 ARG 64 2HD ARG 64 -4.287 -0.031 10.106 517 HD3 ARG 64 1HD ARG 64 -4.119 -0.984 8.631 518 HE ARG 64 HE ARG 64 -1.951 -1.780 9.987 519 HH11 ARG 64 1HH1 ARG 64 -5.260 -1.477 11.193 520 HH12 ARG 64 2HH1 ARG 64 -5.089 -2.764 12.308 521 HH21 ARG 64 1HH2 ARG 64 -1.722 -3.401 11.339 522 HH22 ARG 64 2HH2 ARG 64 -2.933 -3.977 12.411 523 H GLY 65 H GLY 65 -0.267 0.912 5.358 524 HA2 GLY 65 2HA GLY 65 1.767 -1.102 5.137 525 HA3 GLY 65 1HA GLY 65 0.953 -0.768 3.616 526 H ARG 66 H ARG 66 3.425 -0.291 3.370 527 HA ARG 66 HA ARG 66 3.726 2.614 3.587 528 HB2 ARG 66 2HB ARG 66 4.981 1.334 5.388 529 HB3 ARG 66 1HB ARG 66 5.901 0.565 4.116 530 HG2 ARG 66 2HG ARG 66 5.880 3.547 4.425 531 HG3 ARG 66 1HG ARG 66 6.931 2.539 5.407 532 HD2 ARG 66 2HD ARG 66 6.899 2.675 2.392 533 HD3 ARG 66 1HD ARG 66 8.084 3.440 3.446 534 HE ARG 66 HE ARG 66 8.031 0.722 2.558 535 HH11 ARG 66 1HH1 ARG 66 9.070 2.656 5.354 536 HH12 ARG 66 2HH1 ARG 66 10.346 1.593 5.767 537 HH21 ARG 66 1HH2 ARG 66 9.734 -0.678 3.107 538 HH22 ARG 66 2HH2 ARG 66 10.745 -0.398 4.423 539 H ILE 67 H ILE 67 4.242 3.488 1.652 540 HA ILE 67 HA ILE 67 4.908 1.674 -0.550 541 HB ILE 67 HB ILE 67 3.680 4.419 -0.519 542 HG12 ILE 67 2HG1 ILE 67 2.098 3.340 -2.160 543 HG13 ILE 67 1HG1 ILE 67 2.934 1.828 -1.844 544 HG21 ILE 67 1HG2 ILE 67 3.861 4.597 -2.978 545 HG22 ILE 67 2HG2 ILE 67 4.912 3.181 -2.985 546 HG23 ILE 67 3HG2 ILE 67 5.433 4.660 -2.180 547 HD11 ILE 67 3HD1 ILE 67 2.298 2.001 0.493 548 HD12 ILE 67 1HD1 ILE 67 0.903 1.973 -0.588 549 HD13 ILE 67 2HD1 ILE 67 1.434 3.495 0.128 550 H THR 68 H THR 68 6.823 1.533 -1.343 551 HA THR 68 HA THR 68 8.668 3.788 -0.973 552 HB THR 68 HB THR 68 10.349 1.907 -1.642 553 HG1 THR 68 1HG THR 68 8.715 0.162 -0.271 554 HG21 THR 68 3HG2 THR 68 10.251 3.086 0.515 555 HG22 THR 68 1HG2 THR 68 10.561 1.351 0.746 556 HG23 THR 68 2HG2 THR 68 8.931 2.004 0.978 557 H TYR 69 H TYR 69 6.992 1.914 -3.324 558 HA TYR 69 HA TYR 69 8.528 3.217 -5.440 559 HB2 TYR 69 2HB TYR 69 9.407 0.945 -5.134 560 HB3 TYR 69 1HB TYR 69 7.769 0.319 -5.280 561 HD1 TYR 69 2HD TYR 69 10.105 2.477 -7.278 562 HD2 TYR 69 1HD TYR 69 7.224 -0.656 -7.294 563 HE1 TYR 69 2HE TYR 69 10.405 2.213 -9.710 564 HE2 TYR 69 1HE TYR 69 7.514 -0.926 -9.713 565 HH TYR 69 HH TYR 69 8.285 0.222 -11.609 566 H ARG 70 H ARG 70 7.365 3.838 -7.130 567 HA ARG 70 HA ARG 70 4.574 3.042 -7.241 568 HB2 ARG 70 2HB ARG 70 4.202 5.163 -8.644 569 HB3 ARG 70 1HB ARG 70 4.511 5.408 -6.947 570 HG2 ARG 70 2HG ARG 70 5.815 7.075 -7.772 571 HG3 ARG 70 1HG ARG 70 6.999 5.784 -7.848 572 HD2 ARG 70 2HD ARG 70 5.262 6.580 -10.199 573 HD3 ARG 70 1HD ARG 70 6.830 7.303 -9.883 574 HE ARG 70 HE ARG 70 6.957 4.467 -9.995 575 HH11 ARG 70 1HH1 ARG 70 6.818 7.307 -12.075 576 HH12 ARG 70 2HH1 ARG 70 7.532 6.539 -13.424 577 HH21 ARG 70 1HH2 ARG 70 7.953 3.402 -11.779 578 HH22 ARG 70 2HH2 ARG 70 8.180 4.201 -13.257 579 H TYR 71 H TYR 71 3.772 2.245 -9.165 580 HA TYR 71 HA TYR 71 5.940 1.338 -10.920 581 HB2 TYR 71 2HB TYR 71 4.779 -0.454 -9.754 582 HB3 TYR 71 1HB TYR 71 3.228 0.138 -10.317 583 HD1 TYR 71 1HD TYR 71 6.480 -1.167 -11.598 584 HD2 TYR 71 2HD TYR 71 2.288 -0.812 -12.230 585 HE1 TYR 71 1HE TYR 71 6.644 -2.697 -13.515 586 HE2 TYR 71 2HE TYR 71 2.442 -2.335 -14.155 587 HH TYR 71 HH TYR 71 5.241 -4.195 -14.786 588 H LYS 72 H LYS 72 5.989 2.127 -12.934 589 HA LYS 72 HA LYS 72 3.512 3.053 -14.074 590 HB2 LYS 72 2HB LYS 72 5.615 4.743 -13.450 591 HB3 LYS 72 1HB LYS 72 5.949 4.308 -15.122 592 HG2 LYS 72 2HG LYS 72 4.629 6.328 -15.044 593 HG3 LYS 72 1HG LYS 72 3.670 5.015 -15.739 594 HD2 LYS 72 2HD LYS 72 2.692 4.633 -13.434 595 HD3 LYS 72 1HD LYS 72 3.543 6.080 -12.921 596 HE2 LYS 72 2HE LYS 72 2.280 7.416 -14.465 597 HE3 LYS 72 1HE LYS 72 1.505 5.972 -15.124 598 HZ1 LYS 72 3HZ LYS 72 1.266 6.948 -12.328 599 HZ2 LYS 72 1HZ LYS 72 0.598 5.546 -12.912 600 HZ3 LYS 72 2HZ LYS 72 0.051 7.050 -13.473
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