NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6584 | 1j8k | 5027 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASN 1 1H ASN 1 -8.455 15.008 7.043 2 2H ASN 1 2H ASN 1 -8.367 13.487 7.796 3 3H ASN 1 3H ASN 1 -8.801 13.603 6.158 4 HA ASN 1 HA ASN 1 -6.552 14.548 5.691 5 1HB ASN 1 2HB ASN 1 -6.677 14.773 8.477 6 2HB ASN 1 1HB ASN 1 -5.486 13.504 8.193 7 1HD2 ASN 1 1HD2 ASN 1 -6.061 16.930 7.993 8 2HD2 ASN 1 2HD2 ASN 1 -4.559 17.351 7.321 9 H ILE 2 H ILE 2 -4.879 13.005 5.052 10 HA ILE 2 HA ILE 2 -5.853 10.316 4.630 11 HB ILE 2 HB ILE 2 -4.204 11.903 3.311 12 1HG1 ILE 2 2HG1 ILE 2 -2.975 9.325 3.035 13 2HG1 ILE 2 1HG1 ILE 2 -4.697 9.098 3.341 14 1HG2 ILE 2 1HG2 ILE 2 -1.922 11.728 3.797 15 2HG2 ILE 2 2HG2 ILE 2 -2.137 10.261 4.753 16 3HG2 ILE 2 3HG2 ILE 2 -2.639 11.820 5.406 17 1HD1 ILE 2 1HD1 ILE 2 -4.104 11.275 1.449 18 2HD1 ILE 2 2HD1 ILE 2 -5.292 9.976 1.333 19 3HD1 ILE 2 3HD1 ILE 2 -3.613 9.678 0.880 20 H ASP 3 H ASP 3 -4.143 8.432 5.226 21 HA ASP 3 HA ASP 3 -3.198 8.818 8.028 22 1HB ASP 3 2HB ASP 3 -5.552 7.626 7.382 23 2HB ASP 3 1HB ASP 3 -4.465 6.238 7.340 24 H ARG 4 H ARG 4 -2.316 7.981 4.959 25 HA ARG 4 HA ARG 4 -0.442 6.854 4.099 26 1HB ARG 4 2HB ARG 4 0.070 7.439 6.944 27 2HB ARG 4 1HB ARG 4 1.056 6.134 6.286 28 1HG ARG 4 2HG ARG 4 2.307 8.104 5.848 29 2HG ARG 4 1HG ARG 4 1.531 7.720 4.312 30 1HD ARG 4 2HD ARG 4 1.039 10.009 4.519 31 2HD ARG 4 1HD ARG 4 -0.397 9.281 5.265 32 HE ARG 4 HE ARG 4 1.145 9.441 7.436 33 1HH1 ARG 4 1HH1 ARG 4 2.685 11.363 5.401 34 2HH1 ARG 4 2HH1 ARG 4 2.241 12.886 6.098 35 1HH2 ARG 4 1HH2 ARG 4 -0.246 11.541 8.107 36 2HH2 ARG 4 2HH2 ARG 4 0.584 12.987 7.632 37 HA PRO 5 HA PRO 5 -1.806 2.662 4.573 38 1HB PRO 5 2HB PRO 5 -0.279 1.607 2.574 39 2HB PRO 5 1HB PRO 5 -1.741 2.564 2.270 40 1HG PRO 5 2HG PRO 5 1.102 3.334 2.003 41 2HG PRO 5 1HG PRO 5 -0.312 3.902 1.108 42 1HD PRO 5 2HD PRO 5 0.982 5.262 3.173 43 2HD PRO 5 1HD PRO 5 -0.631 5.628 2.527 44 H LYS 6 H LYS 6 -0.272 0.419 4.308 45 HA LYS 6 HA LYS 6 2.120 0.866 6.052 46 1HB LYS 6 2HB LYS 6 0.081 0.149 7.303 47 2HB LYS 6 1HB LYS 6 0.020 -1.306 6.307 48 1HG LYS 6 2HG LYS 6 2.652 -1.227 7.195 49 2HG LYS 6 1HG LYS 6 1.720 -0.705 8.598 50 1HD LYS 6 2HD LYS 6 0.169 -2.743 7.927 51 2HD LYS 6 1HD LYS 6 1.637 -3.320 7.136 52 1HE LYS 6 2HE LYS 6 1.242 -2.693 10.078 53 2HE LYS 6 1HE LYS 6 1.757 -4.224 9.344 54 1HZ LYS 6 1HZ LYS 6 3.656 -2.890 8.369 55 2HZ LYS 6 2HZ LYS 6 3.731 -3.194 10.041 56 3HZ LYS 6 3HZ LYS 6 3.246 -1.668 9.472 57 H GLY 7 H GLY 7 0.601 -2.085 4.730 58 1HA GLY 7 2HA GLY 7 2.979 -2.460 2.974 59 2HA GLY 7 1HA GLY 7 2.524 -3.746 4.093 60 H LEU 8 H LEU 8 2.482 -3.470 1.031 61 HA LEU 8 HA LEU 8 -0.409 -3.943 0.516 62 1HB LEU 8 2HB LEU 8 0.089 -3.307 -1.674 63 2HB LEU 8 1HB LEU 8 1.305 -2.397 -0.780 64 HG LEU 8 HG LEU 8 2.592 -4.791 -1.148 65 1HD1 LEU 8 1HD1 LEU 8 2.219 -5.480 -3.455 66 2HD1 LEU 8 2HD1 LEU 8 1.010 -4.218 -3.669 67 3HD1 LEU 8 3HD1 LEU 8 0.696 -5.563 -2.574 68 1HD2 LEU 8 1HD2 LEU 8 2.528 -2.222 -2.725 69 2HD2 LEU 8 2HD2 LEU 8 3.613 -3.530 -3.196 70 3HD2 LEU 8 3HD2 LEU 8 3.757 -2.795 -1.599 71 H ALA 9 H ALA 9 -0.919 -5.828 -0.963 72 HA ALA 9 HA ALA 9 0.918 -8.146 -0.462 73 1HB ALA 9 1HB ALA 9 -0.957 -8.302 1.034 74 2HB ALA 9 2HB ALA 9 -1.272 -9.444 -0.272 75 3HB ALA 9 3HB ALA 9 -2.092 -7.883 -0.249 76 H PHE 10 H PHE 10 0.142 -10.048 -2.001 77 HA PHE 10 HA PHE 10 -0.555 -8.913 -4.689 78 1HB PHE 10 2HB PHE 10 1.686 -10.741 -3.808 79 2HB PHE 10 1HB PHE 10 1.170 -10.659 -5.494 80 HD1 PHE 10 HD1 PHE 10 2.963 -8.977 -2.807 81 HD2 PHE 10 HD2 PHE 10 1.291 -8.485 -6.732 82 HE1 PHE 10 HE1 PHE 10 4.308 -6.917 -3.121 83 HE2 PHE 10 HE2 PHE 10 2.636 -6.425 -7.047 84 HZ PHE 10 HZ PHE 10 4.144 -5.641 -5.242 85 H THR 11 H THR 11 -1.988 -10.188 -5.875 86 HA THR 11 HA THR 11 -3.071 -12.603 -4.517 87 HB THR 11 HB THR 11 -3.996 -10.683 -6.653 88 HG1 THR 11 HG1 THR 11 -4.832 -9.870 -4.925 89 1HG2 THR 11 1HG2 THR 11 -4.674 -12.879 -7.419 90 2HG2 THR 11 2HG2 THR 11 -6.082 -12.049 -6.757 91 3HG2 THR 11 3HG2 THR 11 -5.265 -13.294 -5.812 92 H ASP 12 H ASP 12 -2.815 -11.763 -7.974 93 HA ASP 12 HA ASP 12 -1.462 -14.387 -8.435 94 1HB ASP 12 2HB ASP 12 -3.942 -13.187 -9.465 95 2HB ASP 12 1HB ASP 12 -2.894 -13.835 -10.726 96 H VAL 13 H VAL 13 0.614 -13.844 -9.058 97 HA VAL 13 HA VAL 13 0.991 -11.434 -10.788 98 HB VAL 13 HB VAL 13 2.219 -11.454 -8.693 99 1HG1 VAL 13 1HG1 VAL 13 4.044 -13.552 -8.919 100 2HG1 VAL 13 2HG1 VAL 13 2.504 -14.274 -9.384 101 3HG1 VAL 13 3HG1 VAL 13 2.671 -13.485 -7.815 102 1HG2 VAL 13 1HG2 VAL 13 3.577 -10.448 -10.313 103 2HG2 VAL 13 2HG2 VAL 13 3.767 -11.945 -11.225 104 3HG2 VAL 13 3HG2 VAL 13 4.634 -11.723 -9.705 105 H ASP 14 H ASP 14 1.749 -11.695 -12.869 106 HA ASP 14 HA ASP 14 2.978 -14.286 -13.654 107 1HB ASP 14 2HB ASP 14 0.449 -13.052 -14.774 108 2HB ASP 14 1HB ASP 14 1.348 -14.316 -15.612 109 H VAL 15 H VAL 15 4.273 -14.092 -15.554 110 HA VAL 15 HA VAL 15 5.735 -11.794 -16.023 111 HB VAL 15 HB VAL 15 6.391 -13.889 -16.926 112 1HG1 VAL 15 1HG1 VAL 15 4.460 -15.160 -17.200 113 2HG1 VAL 15 2HG1 VAL 15 4.852 -14.796 -18.881 114 3HG1 VAL 15 3HG1 VAL 15 3.607 -13.868 -18.046 115 1HG2 VAL 15 1HG2 VAL 15 5.432 -12.163 -19.227 116 2HG2 VAL 15 2HG2 VAL 15 6.676 -13.409 -19.325 117 3HG2 VAL 15 3HG2 VAL 15 6.954 -11.960 -18.360 118 H ASP 16 H ASP 16 2.509 -12.530 -17.214 119 HA ASP 16 HA ASP 16 2.438 -9.832 -18.515 120 1HB ASP 16 2HB ASP 16 1.385 -12.481 -19.556 121 2HB ASP 16 1HB ASP 16 1.134 -10.924 -20.341 122 H SER 17 H SER 17 1.488 -10.363 -15.906 123 HA SER 17 HA SER 17 -1.109 -9.294 -15.871 124 1HB SER 17 2HB SER 17 -2.186 -11.688 -15.264 125 2HB SER 17 1HB SER 17 -2.151 -11.071 -16.912 126 HG SER 17 HG SER 17 -1.055 -12.826 -17.296 127 H ILE 18 H ILE 18 -1.015 -8.468 -13.812 128 HA ILE 18 HA ILE 18 -0.273 -10.327 -11.594 129 HB ILE 18 HB ILE 18 0.868 -7.603 -12.243 130 1HG1 ILE 18 2HG1 ILE 18 2.307 -10.213 -11.720 131 2HG1 ILE 18 1HG1 ILE 18 1.774 -9.744 -13.334 132 1HG2 ILE 18 1HG2 ILE 18 0.540 -7.589 -9.881 133 2HG2 ILE 18 2HG2 ILE 18 2.226 -8.048 -10.120 134 3HG2 ILE 18 3HG2 ILE 18 1.023 -9.278 -9.730 135 1HD1 ILE 18 1HD1 ILE 18 3.095 -7.690 -13.213 136 2HD1 ILE 18 2HD1 ILE 18 4.135 -9.077 -12.888 137 3HD1 ILE 18 3HD1 ILE 18 3.571 -8.067 -11.556 138 H LYS 19 H LYS 19 -1.537 -10.049 -9.791 139 HA LYS 19 HA LYS 19 -3.412 -7.710 -9.754 140 1HB LYS 19 2HB LYS 19 -3.613 -10.616 -9.221 141 2HB LYS 19 1HB LYS 19 -4.468 -9.585 -8.074 142 1HG LYS 19 2HG LYS 19 -5.892 -8.723 -9.696 143 2HG LYS 19 1HG LYS 19 -4.760 -9.053 -11.008 144 1HD LYS 19 2HD LYS 19 -5.489 -11.193 -11.274 145 2HD LYS 19 1HD LYS 19 -5.696 -11.441 -9.541 146 1HE LYS 19 2HE LYS 19 -7.913 -11.008 -9.692 147 2HE LYS 19 1HE LYS 19 -7.596 -9.472 -10.521 148 1HZ LYS 19 1HZ LYS 19 -7.355 -12.107 -11.857 149 2HZ LYS 19 2HZ LYS 19 -7.360 -10.571 -12.584 150 3HZ LYS 19 3HZ LYS 19 -8.782 -11.192 -11.890 151 H ILE 20 H ILE 20 -3.002 -6.270 -8.099 152 HA ILE 20 HA ILE 20 -1.524 -7.313 -5.702 153 HB ILE 20 HB ILE 20 -0.285 -5.255 -5.705 154 1HG1 ILE 20 2HG1 ILE 20 -2.185 -4.352 -7.897 155 2HG1 ILE 20 1HG1 ILE 20 -2.183 -3.762 -6.234 156 1HG2 ILE 20 1HG2 ILE 20 -0.625 -6.115 -8.595 157 2HG2 ILE 20 2HG2 ILE 20 0.371 -6.964 -7.412 158 3HG2 ILE 20 3HG2 ILE 20 0.784 -5.319 -7.895 159 1HD1 ILE 20 1HD1 ILE 20 -0.969 -2.218 -7.737 160 2HD1 ILE 20 2HD1 ILE 20 0.130 -3.523 -8.181 161 3HD1 ILE 20 3HD1 ILE 20 0.108 -2.913 -6.526 162 H ALA 21 H ALA 21 -2.066 -6.312 -3.679 163 HA ALA 21 HA ALA 21 -4.518 -4.610 -3.642 164 1HB ALA 21 1HB ALA 21 -5.060 -7.051 -3.411 165 2HB ALA 21 2HB ALA 21 -5.500 -6.112 -1.985 166 3HB ALA 21 3HB ALA 21 -4.038 -7.099 -1.975 167 H TRP 22 H TRP 22 -3.902 -2.806 -2.495 168 HA TRP 22 HA TRP 22 -1.774 -3.071 -0.424 169 1HB TRP 22 2HB TRP 22 -1.846 -0.542 -0.617 170 2HB TRP 22 1HB TRP 22 -1.429 -1.383 -2.111 171 HD1 TRP 22 HD1 TRP 22 -4.320 0.479 -0.424 172 HE1 TRP 22 HE1 TRP 22 -6.003 1.195 -2.243 173 HE3 TRP 22 HE3 TRP 22 -2.305 -1.895 -4.469 174 HZ2 TRP 22 HZ2 TRP 22 -6.438 0.804 -5.040 175 HZ3 TRP 22 HZ3 TRP 22 -3.372 -1.707 -6.698 176 HH2 TRP 22 HH2 TRP 22 -5.436 -0.360 -6.989 177 H GLU 23 H GLU 23 -2.145 -1.617 1.567 178 HA GLU 23 HA GLU 23 -4.784 -2.277 2.718 179 1HB GLU 23 2HB GLU 23 -2.340 -2.460 3.707 180 2HB GLU 23 1HB GLU 23 -2.596 -0.760 4.104 181 1HG GLU 23 2HG GLU 23 -3.575 -1.580 5.987 182 2HG GLU 23 1HG GLU 23 -4.961 -1.857 4.931 183 H SER 24 H SER 24 -6.399 -0.767 3.007 184 HA SER 24 HA SER 24 -6.291 1.835 1.831 185 1HB SER 24 2HB SER 24 -8.309 0.428 2.373 186 2HB SER 24 1HB SER 24 -8.060 0.804 4.075 187 HG SER 24 HG SER 24 -9.445 2.193 2.425 188 HA PRO 25 HA PRO 25 -4.259 3.953 5.108 189 1HB PRO 25 2HB PRO 25 -4.748 6.516 4.325 190 2HB PRO 25 1HB PRO 25 -3.583 5.459 3.505 191 1HG PRO 25 2HG PRO 25 -6.275 6.306 2.648 192 2HG PRO 25 1HG PRO 25 -4.884 5.802 1.679 193 1HD PRO 25 2HD PRO 25 -7.154 4.239 2.327 194 2HD PRO 25 1HD PRO 25 -5.657 3.679 1.549 195 H GLN 26 H GLN 26 -6.949 3.079 5.693 196 HA GLN 26 HA GLN 26 -8.843 3.631 7.037 197 1HB GLN 26 2HB GLN 26 -6.470 4.894 8.413 198 2HB GLN 26 1HB GLN 26 -7.975 4.424 9.199 199 1HG GLN 26 2HG GLN 26 -7.571 2.067 8.361 200 2HG GLN 26 1HG GLN 26 -5.968 2.603 7.855 201 1HE2 GLN 26 1HE2 GLN 26 -7.197 0.844 10.238 202 2HE2 GLN 26 2HE2 GLN 26 -6.278 1.374 11.564 203 H GLY 27 H GLY 27 -8.158 5.771 4.973 204 1HA GLY 27 2HA GLY 27 -9.618 7.969 6.346 205 2HA GLY 27 1HA GLY 27 -8.134 8.353 5.474 206 H GLN 28 H GLN 28 -10.106 5.827 4.169 207 HA GLN 28 HA GLN 28 -11.116 5.735 2.012 208 1HB GLN 28 2HB GLN 28 -12.624 6.950 3.861 209 2HB GLN 28 1HB GLN 28 -12.442 8.309 2.751 210 1HG GLN 28 2HG GLN 28 -13.047 6.452 0.940 211 2HG GLN 28 1HG GLN 28 -13.823 5.693 2.331 212 1HE2 GLN 28 1HE2 GLN 28 -15.972 6.160 1.398 213 2HE2 GLN 28 2HE2 GLN 28 -16.604 7.736 1.434 214 H VAL 29 H VAL 29 -9.308 6.227 0.617 215 HA VAL 29 HA VAL 29 -8.512 8.987 0.092 216 HB VAL 29 HB VAL 29 -7.876 6.242 -0.977 217 1HG1 VAL 29 1HG1 VAL 29 -7.870 7.731 -2.937 218 2HG1 VAL 29 2HG1 VAL 29 -6.219 7.295 -2.495 219 3HG1 VAL 29 3HG1 VAL 29 -6.855 8.885 -2.071 220 1HG2 VAL 29 1HG2 VAL 29 -5.691 7.999 -0.200 221 2HG2 VAL 29 2HG2 VAL 29 -6.129 6.416 0.439 222 3HG2 VAL 29 3HG2 VAL 29 -6.892 7.868 1.084 223 H SER 30 H SER 30 -8.731 10.033 -2.010 224 HA SER 30 HA SER 30 -11.294 9.347 -3.377 225 1HB SER 30 2HB SER 30 -10.740 11.622 -2.322 226 2HB SER 30 1HB SER 30 -9.588 11.837 -3.638 227 HG SER 30 HG SER 30 -12.372 11.813 -3.653 228 H ARG 31 H ARG 31 -7.855 9.388 -3.806 229 HA ARG 31 HA ARG 31 -8.156 8.316 -6.543 230 1HB ARG 31 2HB ARG 31 -7.797 11.031 -6.112 231 2HB ARG 31 1HB ARG 31 -6.154 10.455 -6.410 232 1HG ARG 31 2HG ARG 31 -6.703 10.617 -8.604 233 2HG ARG 31 1HG ARG 31 -7.591 9.116 -8.339 234 1HD ARG 31 2HD ARG 31 -9.161 10.641 -9.349 235 2HD ARG 31 1HD ARG 31 -9.570 10.609 -7.622 236 HE ARG 31 HE ARG 31 -8.112 12.678 -7.405 237 1HH1 ARG 31 1HH1 ARG 31 -10.368 12.153 -9.840 238 2HH1 ARG 31 2HH1 ARG 31 -9.928 13.536 -10.787 239 1HH2 ARG 31 1HH2 ARG 31 -7.133 14.283 -8.875 240 2HH2 ARG 31 2HH2 ARG 31 -8.098 14.741 -10.240 241 H TYR 32 H TYR 32 -6.230 7.187 -7.233 242 HA TYR 32 HA TYR 32 -4.129 6.889 -5.115 243 1HB TYR 32 2HB TYR 32 -6.061 5.014 -6.180 244 2HB TYR 32 1HB TYR 32 -4.422 4.446 -6.490 245 HD1 TYR 32 HD1 TYR 32 -3.218 3.376 -4.787 246 HD2 TYR 32 HD2 TYR 32 -6.548 5.891 -3.765 247 HE1 TYR 32 HE1 TYR 32 -3.006 2.691 -2.412 248 HE2 TYR 32 HE2 TYR 32 -6.336 5.207 -1.391 249 HH TYR 32 HH TYR 32 -3.761 3.947 -0.061 250 H ARG 33 H ARG 33 -2.159 7.390 -5.965 251 HA ARG 33 HA ARG 33 -1.776 7.378 -8.912 252 1HB ARG 33 2HB ARG 33 -1.177 9.217 -7.118 253 2HB ARG 33 1HB ARG 33 0.248 8.211 -6.847 254 1HG ARG 33 2HG ARG 33 0.862 8.374 -9.203 255 2HG ARG 33 1HG ARG 33 -0.611 9.281 -9.551 256 1HD ARG 33 2HD ARG 33 0.572 10.691 -7.437 257 2HD ARG 33 1HD ARG 33 1.923 10.258 -8.503 258 HE ARG 33 HE ARG 33 -0.133 11.076 -10.215 259 1HH1 ARG 33 1HH1 ARG 33 2.410 12.517 -10.290 260 2HH1 ARG 33 2HH1 ARG 33 2.002 14.088 -9.682 261 1HH2 ARG 33 1HH2 ARG 33 -0.987 13.053 -8.262 262 2HH2 ARG 33 2HH2 ARG 33 0.077 14.392 -8.538 263 H VAL 34 H VAL 34 -1.471 5.129 -9.396 264 HA VAL 34 HA VAL 34 0.669 3.709 -7.870 265 HB VAL 34 HB VAL 34 -1.533 2.852 -9.761 266 1HG1 VAL 34 1HG1 VAL 34 -0.162 0.710 -8.343 267 2HG1 VAL 34 2HG1 VAL 34 0.936 1.576 -9.418 268 3HG1 VAL 34 3HG1 VAL 34 -0.535 0.848 -10.062 269 1HG2 VAL 34 1HG2 VAL 34 -2.397 3.300 -7.591 270 2HG2 VAL 34 2HG2 VAL 34 -0.994 2.581 -6.802 271 3HG2 VAL 34 3HG2 VAL 34 -2.160 1.552 -7.633 272 H THR 35 H THR 35 2.664 3.990 -8.761 273 HA THR 35 HA THR 35 2.899 4.074 -11.748 274 HB THR 35 HB THR 35 5.255 5.027 -10.702 275 HG1 THR 35 HG1 THR 35 4.927 5.588 -8.727 276 1HG2 THR 35 1HG2 THR 35 2.804 6.754 -11.034 277 2HG2 THR 35 2HG2 THR 35 3.639 6.026 -12.407 278 3HG2 THR 35 3HG2 THR 35 4.483 7.175 -11.370 279 H TYR 36 H TYR 36 4.383 2.646 -12.729 280 HA TYR 36 HA TYR 36 5.915 0.839 -10.896 281 1HB TYR 36 2HB TYR 36 5.286 -0.834 -12.954 282 2HB TYR 36 1HB TYR 36 4.333 -0.714 -11.479 283 HD1 TYR 36 HD1 TYR 36 2.163 0.344 -11.462 284 HD2 TYR 36 HD2 TYR 36 4.575 0.335 -15.014 285 HE1 TYR 36 HE1 TYR 36 0.205 1.089 -12.794 286 HE2 TYR 36 HE2 TYR 36 2.621 1.081 -16.346 287 HH TYR 36 HH TYR 36 -0.111 0.799 -15.908 288 H SER 37 H SER 37 8.031 0.743 -11.424 289 HA SER 37 HA SER 37 8.825 1.686 -14.161 290 1HB SER 37 2HB SER 37 10.698 2.694 -13.112 291 2HB SER 37 1HB SER 37 9.363 3.000 -12.005 292 HG SER 37 HG SER 37 10.542 1.993 -10.593 293 H SER 38 H SER 38 10.765 0.676 -15.070 294 HA SER 38 HA SER 38 11.624 -1.912 -13.895 295 1HB SER 38 2HB SER 38 9.615 -1.636 -15.865 296 2HB SER 38 1HB SER 38 11.045 -2.226 -16.707 297 HG SER 38 HG SER 38 11.063 -3.652 -14.626 298 HA PRO 39 HA PRO 39 15.402 -0.444 -15.636 299 1HB PRO 39 2HB PRO 39 16.833 -2.775 -15.544 300 2HB PRO 39 1HB PRO 39 16.486 -1.792 -14.107 301 1HG PRO 39 2HG PRO 39 15.145 -4.274 -15.066 302 2HG PRO 39 1HG PRO 39 15.546 -3.773 -13.416 303 1HD PRO 39 2HD PRO 39 13.038 -3.574 -14.472 304 2HD PRO 39 1HD PRO 39 13.654 -2.491 -13.202 305 H GLU 40 H GLU 40 13.759 -0.544 -17.691 306 HA GLU 40 HA GLU 40 15.249 -1.375 -19.948 307 1HB GLU 40 2HB GLU 40 13.766 -3.463 -18.534 308 2HB GLU 40 1HB GLU 40 13.308 -3.357 -20.235 309 1HG GLU 40 2HG GLU 40 16.204 -3.150 -19.815 310 2HG GLU 40 1HG GLU 40 15.532 -4.686 -19.264 311 H ASP 41 H ASP 41 11.784 -1.941 -19.223 312 HA ASP 41 HA ASP 41 10.913 -0.544 -21.607 313 1HB ASP 41 2HB ASP 41 9.700 -2.410 -20.556 314 2HB ASP 41 1HB ASP 41 9.462 -1.441 -19.100 315 H GLY 42 H GLY 42 11.082 0.309 -18.164 316 1HA GLY 42 2HA GLY 42 11.628 2.731 -17.715 317 2HA GLY 42 1HA GLY 42 10.412 3.122 -18.933 318 H ILE 43 H ILE 43 9.219 4.346 -17.324 319 HA ILE 43 HA ILE 43 7.756 2.595 -15.380 320 HB ILE 43 HB ILE 43 9.440 4.188 -14.416 321 1HG1 ILE 43 2HG1 ILE 43 6.626 5.058 -13.724 322 2HG1 ILE 43 1HG1 ILE 43 7.249 3.470 -13.275 323 1HG2 ILE 43 1HG2 ILE 43 9.413 6.037 -15.882 324 2HG2 ILE 43 2HG2 ILE 43 8.588 6.639 -14.445 325 3HG2 ILE 43 3HG2 ILE 43 7.653 6.146 -15.857 326 1HD1 ILE 43 1HD1 ILE 43 7.830 4.684 -11.386 327 2HD1 ILE 43 2HD1 ILE 43 8.080 6.175 -12.296 328 3HD1 ILE 43 3HD1 ILE 43 9.289 4.891 -12.356 329 H HIS 44 H HIS 44 5.545 3.389 -14.873 330 HA HIS 44 HA HIS 44 4.352 5.181 -16.945 331 1HB HIS 44 2HB HIS 44 4.188 2.333 -16.810 332 2HB HIS 44 1HB HIS 44 2.599 2.978 -16.400 333 HD1 HIS 44 HD1 HIS 44 2.667 5.518 -18.204 334 HD2 HIS 44 HD2 HIS 44 3.725 1.699 -19.494 335 HE1 HIS 44 HE1 HIS 44 2.387 5.508 -20.724 336 H GLU 45 H GLU 45 2.231 6.030 -16.251 337 HA GLU 45 HA GLU 45 1.956 6.059 -13.269 338 1HB GLU 45 2HB GLU 45 2.144 8.045 -15.275 339 2HB GLU 45 1HB GLU 45 0.480 8.094 -14.688 340 1HG GLU 45 2HG GLU 45 1.209 9.227 -12.889 341 2HG GLU 45 1HG GLU 45 2.091 7.782 -12.397 342 H LEU 46 H LEU 46 0.134 5.143 -12.415 343 HA LEU 46 HA LEU 46 -2.121 4.469 -14.269 344 1HB LEU 46 2HB LEU 46 -0.794 2.695 -13.011 345 2HB LEU 46 1HB LEU 46 -1.479 3.356 -11.530 346 HG LEU 46 HG LEU 46 -3.772 3.000 -12.529 347 1HD1 LEU 46 1HD1 LEU 46 -2.040 2.047 -14.736 348 2HD1 LEU 46 2HD1 LEU 46 -3.671 2.717 -14.792 349 3HD1 LEU 46 3HD1 LEU 46 -3.427 1.023 -14.367 350 1HD2 LEU 46 1HD2 LEU 46 -1.855 0.748 -11.944 351 2HD2 LEU 46 2HD2 LEU 46 -3.531 0.396 -12.367 352 3HD2 LEU 46 3HD2 LEU 46 -3.167 1.372 -10.943 353 H PHE 47 H PHE 47 -4.167 5.303 -13.818 354 HA PHE 47 HA PHE 47 -4.492 6.883 -11.279 355 1HB PHE 47 2HB PHE 47 -4.038 8.040 -13.595 356 2HB PHE 47 1HB PHE 47 -5.731 7.661 -13.907 357 HD1 PHE 47 HD1 PHE 47 -3.544 9.155 -11.251 358 HD2 PHE 47 HD2 PHE 47 -7.373 9.161 -13.199 359 HE1 PHE 47 HE1 PHE 47 -4.227 11.120 -9.901 360 HE2 PHE 47 HE2 PHE 47 -8.056 11.126 -11.849 361 HZ PHE 47 HZ PHE 47 -6.483 12.106 -10.201 362 HA PRO 48 HA PRO 48 -8.147 4.143 -11.971 363 1HB PRO 48 2HB PRO 48 -7.676 2.244 -10.069 364 2HB PRO 48 1HB PRO 48 -7.042 2.132 -11.722 365 1HG PRO 48 2HG PRO 48 -5.615 2.697 -9.224 366 2HG PRO 48 1HG PRO 48 -4.984 2.149 -10.783 367 1HD PRO 48 2HD PRO 48 -4.959 4.819 -9.694 368 2HD PRO 48 1HD PRO 48 -4.286 4.253 -11.238 369 H ALA 49 H ALA 49 -8.712 6.366 -10.854 370 HA ALA 49 HA ALA 49 -8.904 6.909 -8.162 371 1HB ALA 49 1HB ALA 49 -10.838 8.192 -8.775 372 2HB ALA 49 2HB ALA 49 -11.212 7.099 -10.105 373 3HB ALA 49 3HB ALA 49 -9.797 8.148 -10.196 374 HA PRO 50 HA PRO 50 -11.144 3.122 -7.019 375 1HB PRO 50 2HB PRO 50 -10.321 3.123 -4.415 376 2HB PRO 50 1HB PRO 50 -9.333 2.474 -5.739 377 1HG PRO 50 2HG PRO 50 -9.108 5.068 -4.310 378 2HG PRO 50 1HG PRO 50 -7.838 4.024 -4.965 379 1HD PRO 50 2HD PRO 50 -8.753 6.328 -6.183 380 2HD PRO 50 1HD PRO 50 -7.939 4.993 -7.029 381 H ASP 51 H ASP 51 -12.546 2.834 -4.816 382 HA ASP 51 HA ASP 51 -13.932 5.437 -4.270 383 1HB ASP 51 2HB ASP 51 -15.141 4.073 -5.926 384 2HB ASP 51 1HB ASP 51 -15.120 2.701 -4.817 385 H GLY 52 H GLY 52 -13.132 2.171 -3.140 386 1HA GLY 52 2HA GLY 52 -12.447 2.575 -0.568 387 2HA GLY 52 1HA GLY 52 -14.198 2.761 -0.449 388 H GLU 53 H GLU 53 -14.611 0.760 -2.639 389 HA GLU 53 HA GLU 53 -14.417 -1.650 -0.933 390 1HB GLU 53 2HB GLU 53 -15.915 -0.802 -3.407 391 2HB GLU 53 1HB GLU 53 -15.860 -2.502 -2.935 392 1HG GLU 53 2HG GLU 53 -16.702 -1.835 -0.663 393 2HG GLU 53 1HG GLU 53 -16.906 -0.192 -1.275 394 H GLU 54 H GLU 54 -12.986 -0.246 -3.777 395 HA GLU 54 HA GLU 54 -11.704 -2.839 -4.517 396 1HB GLU 54 2HB GLU 54 -12.332 -0.228 -5.849 397 2HB GLU 54 1HB GLU 54 -11.000 -1.197 -6.480 398 1HG GLU 54 2HG GLU 54 -12.478 -3.117 -6.766 399 2HG GLU 54 1HG GLU 54 -13.815 -2.224 -6.037 400 H ASP 55 H ASP 55 -10.086 -2.872 -2.830 401 HA ASP 55 HA ASP 55 -8.180 -0.582 -2.760 402 1HB ASP 55 2HB ASP 55 -8.711 -2.993 -1.006 403 2HB ASP 55 1HB ASP 55 -7.374 -1.879 -0.722 404 H THR 56 H THR 56 -8.262 -2.538 -5.023 405 HA THR 56 HA THR 56 -5.430 -3.481 -4.809 406 HB THR 56 HB THR 56 -6.121 -5.637 -5.753 407 HG1 THR 56 HG1 THR 56 -8.043 -5.901 -6.569 408 1HG2 THR 56 1HG2 THR 56 -6.415 -4.954 -3.208 409 2HG2 THR 56 2HG2 THR 56 -6.986 -6.519 -3.793 410 3HG2 THR 56 3HG2 THR 56 -8.125 -5.189 -3.575 411 H ALA 57 H ALA 57 -4.768 -4.290 -7.169 412 HA ALA 57 HA ALA 57 -6.021 -2.514 -9.233 413 1HB ALA 57 1HB ALA 57 -4.125 -1.309 -8.391 414 2HB ALA 57 2HB ALA 57 -3.612 -2.016 -9.924 415 3HB ALA 57 3HB ALA 57 -3.121 -2.759 -8.401 416 H GLU 58 H GLU 58 -5.426 -3.190 -11.467 417 HA GLU 58 HA GLU 58 -4.684 -6.093 -11.625 418 1HB GLU 58 2HB GLU 58 -6.996 -4.523 -12.566 419 2HB GLU 58 1HB GLU 58 -6.312 -5.608 -13.779 420 1HG GLU 58 2HG GLU 58 -6.395 -7.454 -12.057 421 2HG GLU 58 1HG GLU 58 -7.288 -6.351 -11.009 422 H LEU 59 H LEU 59 -2.494 -5.600 -12.202 423 HA LEU 59 HA LEU 59 -1.882 -3.809 -14.434 424 1HB LEU 59 2HB LEU 59 -0.289 -5.824 -12.811 425 2HB LEU 59 1HB LEU 59 0.424 -4.737 -14.001 426 HG LEU 59 HG LEU 59 -0.875 -4.048 -11.366 427 1HD1 LEU 59 1HD1 LEU 59 1.611 -4.467 -11.613 428 2HD1 LEU 59 2HD1 LEU 59 1.193 -2.873 -10.986 429 3HD1 LEU 59 3HD1 LEU 59 1.673 -3.060 -12.673 430 1HD2 LEU 59 1HD2 LEU 59 -0.417 -2.227 -13.754 431 2HD2 LEU 59 2HD2 LEU 59 -0.711 -1.642 -12.116 432 3HD2 LEU 59 3HD2 LEU 59 -1.955 -2.565 -12.959 433 H GLN 60 H GLN 60 -3.469 -5.106 -15.838 434 HA GLN 60 HA GLN 60 -2.363 -7.682 -16.814 435 1HB GLN 60 2HB GLN 60 -4.904 -6.256 -17.623 436 2HB GLN 60 1HB GLN 60 -4.557 -7.981 -17.708 437 1HG GLN 60 2HG GLN 60 -4.626 -8.206 -15.312 438 2HG GLN 60 1HG GLN 60 -4.655 -6.455 -15.089 439 1HE2 GLN 60 1HE2 GLN 60 -6.636 -5.381 -16.348 440 2HE2 GLN 60 2HE2 GLN 60 -8.118 -6.192 -16.180 441 H GLY 61 H GLY 61 -0.935 -7.530 -18.496 442 1HA GLY 61 2HA GLY 61 -0.880 -6.983 -20.970 443 2HA GLY 61 1HA GLY 61 -1.363 -5.351 -20.503 444 H LEU 62 H LEU 62 1.129 -7.654 -19.345 445 HA LEU 62 HA LEU 62 3.076 -5.381 -19.337 446 1HB LEU 62 2HB LEU 62 3.304 -8.101 -18.024 447 2HB LEU 62 1HB LEU 62 4.188 -6.629 -17.618 448 HG LEU 62 HG LEU 62 1.188 -6.968 -17.346 449 1HD1 LEU 62 1HD1 LEU 62 2.972 -6.604 -14.989 450 2HD1 LEU 62 2HD1 LEU 62 3.000 -8.188 -15.765 451 3HD1 LEU 62 3HD1 LEU 62 1.483 -7.538 -15.141 452 1HD2 LEU 62 1HD2 LEU 62 1.868 -4.644 -17.744 453 2HD2 LEU 62 2HD2 LEU 62 3.103 -4.767 -16.492 454 3HD2 LEU 62 3HD2 LEU 62 1.396 -4.835 -16.055 455 H ARG 63 H ARG 63 4.968 -8.006 -19.114 456 HA ARG 63 HA ARG 63 5.040 -9.254 -21.638 457 1HB ARG 63 2HB ARG 63 5.715 -6.469 -21.625 458 2HB ARG 63 1HB ARG 63 7.142 -7.404 -22.079 459 1HG ARG 63 2HG ARG 63 4.403 -7.759 -23.318 460 2HG ARG 63 1HG ARG 63 5.704 -6.807 -24.033 461 1HD ARG 63 2HD ARG 63 7.091 -9.059 -23.647 462 2HD ARG 63 1HD ARG 63 5.472 -9.776 -23.753 463 HE ARG 63 HE ARG 63 5.908 -7.799 -25.831 464 1HH1 ARG 63 1HH1 ARG 63 7.967 -10.277 -25.396 465 2HH1 ARG 63 2HH1 ARG 63 7.471 -11.228 -26.757 466 1HH2 ARG 63 1HH2 ARG 63 4.613 -9.361 -27.359 467 2HH2 ARG 63 2HH2 ARG 63 5.573 -10.709 -27.867 468 HA PRO 64 HA PRO 64 9.432 -9.510 -19.781 469 1HB PRO 64 2HB PRO 64 10.000 -7.964 -17.594 470 2HB PRO 64 1HB PRO 64 10.263 -7.423 -19.266 471 1HG PRO 64 2HG PRO 64 8.033 -6.781 -17.399 472 2HG PRO 64 1HG PRO 64 8.859 -5.743 -18.571 473 1HD PRO 64 2HD PRO 64 6.413 -6.864 -19.023 474 2HD PRO 64 1HD PRO 64 7.552 -6.453 -20.321 475 H GLY 65 H GLY 65 10.305 -10.609 -17.794 476 1HA GLY 65 2HA GLY 65 8.159 -11.453 -15.905 477 2HA GLY 65 1HA GLY 65 9.232 -12.635 -16.651 478 H SER 66 H SER 66 9.765 -9.445 -15.108 479 HA SER 66 HA SER 66 11.770 -10.793 -13.327 480 1HB SER 66 2HB SER 66 12.772 -9.599 -15.268 481 2HB SER 66 1HB SER 66 11.993 -8.114 -14.732 482 HG SER 66 HG SER 66 13.810 -7.929 -13.653 483 H GLU 67 H GLU 67 12.519 -8.766 -11.737 484 HA GLU 67 HA GLU 67 10.239 -8.323 -10.012 485 1HB GLU 67 2HB GLU 67 12.893 -8.538 -9.684 486 2HB GLU 67 1HB GLU 67 12.771 -6.779 -9.741 487 1HG GLU 67 2HG GLU 67 12.241 -6.897 -7.545 488 2HG GLU 67 1HG GLU 67 10.668 -7.487 -8.086 489 H TYR 68 H TYR 68 8.691 -6.847 -10.579 490 HA TYR 68 HA TYR 68 9.440 -4.399 -12.075 491 1HB TYR 68 2HB TYR 68 7.366 -6.118 -12.253 492 2HB TYR 68 1HB TYR 68 6.672 -4.956 -11.122 493 HD1 TYR 68 HD1 TYR 68 6.021 -5.583 -14.184 494 HD2 TYR 68 HD2 TYR 68 8.209 -2.515 -12.124 495 HE1 TYR 68 HE1 TYR 68 5.584 -4.015 -16.056 496 HE2 TYR 68 HE2 TYR 68 7.772 -0.947 -13.992 497 HH TYR 68 HH TYR 68 5.541 -1.702 -16.545 498 H THR 69 H THR 69 9.893 -2.545 -10.945 499 HA THR 69 HA THR 69 9.341 -2.381 -8.063 500 HB THR 69 HB THR 69 10.521 -0.435 -10.069 501 HG1 THR 69 HG1 THR 69 11.491 -2.628 -9.514 502 1HG2 THR 69 1HG2 THR 69 9.624 0.450 -7.818 503 2HG2 THR 69 2HG2 THR 69 11.293 0.838 -8.235 504 3HG2 THR 69 3HG2 THR 69 10.949 -0.454 -7.086 505 H VAL 70 H VAL 70 7.066 -2.176 -7.824 506 HA VAL 70 HA VAL 70 5.725 0.024 -9.305 507 HB VAL 70 HB VAL 70 4.530 -2.052 -7.472 508 1HG1 VAL 70 1HG1 VAL 70 2.494 -1.518 -8.519 509 2HG1 VAL 70 2HG1 VAL 70 3.293 -0.794 -9.915 510 3HG1 VAL 70 3HG1 VAL 70 3.276 0.054 -8.368 511 1HG2 VAL 70 1HG2 VAL 70 5.748 -3.326 -9.087 512 2HG2 VAL 70 2HG2 VAL 70 5.319 -2.217 -10.391 513 3HG2 VAL 70 3HG2 VAL 70 4.091 -3.270 -9.687 514 H SER 71 H SER 71 4.613 1.689 -8.182 515 HA SER 71 HA SER 71 5.226 1.879 -5.249 516 1HB SER 71 2HB SER 71 6.187 3.418 -7.440 517 2HB SER 71 1HB SER 71 5.102 4.451 -6.517 518 HG SER 71 HG SER 71 6.323 4.080 -4.705 519 H VAL 72 H VAL 72 3.211 1.694 -4.308 520 HA VAL 72 HA VAL 72 0.839 2.878 -5.641 521 HB VAL 72 HB VAL 72 1.343 1.112 -3.236 522 1HG1 VAL 72 1HG1 VAL 72 -1.334 2.140 -4.230 523 2HG1 VAL 72 2HG1 VAL 72 -0.527 2.703 -2.766 524 3HG1 VAL 72 3HG1 VAL 72 -1.073 1.030 -2.884 525 1HG2 VAL 72 1HG2 VAL 72 0.056 -0.511 -4.574 526 2HG2 VAL 72 2HG2 VAL 72 1.439 0.083 -5.492 527 3HG2 VAL 72 3HG2 VAL 72 -0.177 0.701 -5.834 528 H VAL 73 H VAL 73 0.267 4.958 -5.143 529 HA VAL 73 HA VAL 73 0.990 5.994 -2.421 530 HB VAL 73 HB VAL 73 0.929 7.485 -5.059 531 1HG1 VAL 73 1HG1 VAL 73 0.556 8.947 -3.160 532 2HG1 VAL 73 2HG1 VAL 73 2.217 9.172 -3.707 533 3HG1 VAL 73 3HG1 VAL 73 1.885 8.204 -2.271 534 1HG2 VAL 73 1HG2 VAL 73 3.277 6.416 -3.461 535 2HG2 VAL 73 2HG2 VAL 73 3.391 7.404 -4.916 536 3HG2 VAL 73 3HG2 VAL 73 2.715 5.777 -5.005 537 H ALA 74 H ALA 74 -0.822 6.536 -1.299 538 HA ALA 74 HA ALA 74 -3.446 6.688 -2.539 539 1HB ALA 74 1HB ALA 74 -4.097 6.533 -0.356 540 2HB ALA 74 2HB ALA 74 -3.045 7.860 0.139 541 3HB ALA 74 3HB ALA 74 -2.389 6.232 -0.033 542 H LEU 75 H LEU 75 -4.826 8.734 -2.304 543 HA LEU 75 HA LEU 75 -3.154 11.213 -2.410 544 1HB LEU 75 2HB LEU 75 -5.292 10.335 -4.368 545 2HB LEU 75 1HB LEU 75 -4.453 11.884 -4.414 546 HG LEU 75 HG LEU 75 -3.060 9.196 -4.557 547 1HD1 LEU 75 1HD1 LEU 75 -2.692 10.405 -6.987 548 2HD1 LEU 75 2HD1 LEU 75 -4.346 10.893 -6.610 549 3HD1 LEU 75 3HD1 LEU 75 -3.922 9.180 -6.669 550 1HD2 LEU 75 1HD2 LEU 75 -1.108 10.365 -4.542 551 2HD2 LEU 75 2HD2 LEU 75 -2.067 11.672 -3.847 552 3HD2 LEU 75 3HD2 LEU 75 -1.759 11.632 -5.583 553 H HIS 76 H HIS 76 -4.757 13.178 -2.567 554 HA HIS 76 HA HIS 76 -7.390 12.980 -1.428 555 1HB HIS 76 2HB HIS 76 -5.527 12.310 0.375 556 2HB HIS 76 1HB HIS 76 -5.432 14.061 0.557 557 HD1 HIS 76 HD1 HIS 76 -7.996 11.254 0.691 558 HD2 HIS 76 HD2 HIS 76 -7.504 15.163 2.049 559 HE1 HIS 76 HE1 HIS 76 -9.955 11.732 2.228 560 H ASP 77 H ASP 77 -7.672 14.592 -3.126 561 HA ASP 77 HA ASP 77 -7.889 16.819 -3.888 562 1HB ASP 77 2HB ASP 77 -6.782 17.438 -1.126 563 2HB ASP 77 1HB ASP 77 -7.663 18.551 -2.166 564 H ASP 78 H ASP 78 -4.898 16.666 -1.896 565 HA ASP 78 HA ASP 78 -3.130 16.853 -4.173 566 1HB ASP 78 2HB ASP 78 -4.371 19.135 -3.961 567 2HB ASP 78 1HB ASP 78 -3.330 19.396 -2.562 568 H MET 79 H MET 79 -2.693 15.076 -2.358 569 HA MET 79 HA MET 79 -0.681 16.220 -0.447 570 1HB MET 79 2HB MET 79 -3.020 14.438 -0.115 571 2HB MET 79 1HB MET 79 -1.565 13.919 0.736 572 1HG MET 79 2HG MET 79 -2.690 16.724 0.915 573 2HG MET 79 1HG MET 79 -3.062 15.448 2.074 574 1HE MET 79 1HE MET 79 -2.350 16.320 4.055 575 2HE MET 79 2HE MET 79 -1.876 17.911 3.467 576 3HE MET 79 3HE MET 79 -0.775 17.000 4.496 577 H GLU 80 H GLU 80 0.898 14.449 0.275 578 HA GLU 80 HA GLU 80 1.405 12.443 -1.894 579 1HB GLU 80 2HB GLU 80 2.990 14.746 -0.947 580 2HB GLU 80 1HB GLU 80 3.904 13.240 -1.048 581 1HG GLU 80 2HG GLU 80 3.039 12.943 -3.387 582 2HG GLU 80 1HG GLU 80 2.308 14.545 -3.268 583 H SER 81 H SER 81 0.223 11.263 0.043 584 HA SER 81 HA SER 81 1.440 10.801 2.549 585 1HB SER 81 2HB SER 81 -0.270 9.157 0.691 586 2HB SER 81 1HB SER 81 0.199 8.548 2.275 587 HG SER 81 HG SER 81 -1.113 9.935 3.188 588 H GLN 82 H GLN 82 2.715 8.913 3.264 589 HA GLN 82 HA GLN 82 5.137 8.471 2.034 590 1HB GLN 82 2HB GLN 82 3.425 7.142 4.004 591 2HB GLN 82 1HB GLN 82 4.519 6.021 3.189 592 1HG GLN 82 2HG GLN 82 6.117 6.733 4.618 593 2HG GLN 82 1HG GLN 82 6.115 8.244 3.707 594 1HE2 GLN 82 1HE2 GLN 82 4.201 9.796 4.446 595 2HE2 GLN 82 2HE2 GLN 82 3.969 9.914 6.123 596 HA PRO 83 HA PRO 83 3.892 6.345 -1.668 597 1HB PRO 83 2HB PRO 83 6.425 5.893 -2.609 598 2HB PRO 83 1HB PRO 83 5.606 7.463 -2.739 599 1HG PRO 83 2HG PRO 83 7.657 6.555 -0.773 600 2HG PRO 83 1HG PRO 83 7.482 8.123 -1.579 601 1HD PRO 83 2HD PRO 83 6.697 7.684 0.991 602 2HD PRO 83 1HD PRO 83 5.910 8.872 -0.074 603 H LEU 84 H LEU 84 3.185 4.257 -1.388 604 HA LEU 84 HA LEU 84 4.738 2.313 0.178 605 1HB LEU 84 2HB LEU 84 2.351 2.356 0.428 606 2HB LEU 84 1HB LEU 84 2.105 2.306 -1.318 607 HG LEU 84 HG LEU 84 3.325 0.042 -1.255 608 1HD1 LEU 84 1HD1 LEU 84 3.766 0.765 1.378 609 2HD1 LEU 84 2HD1 LEU 84 3.928 -0.868 0.731 610 3HD1 LEU 84 3HD1 LEU 84 2.424 -0.372 1.509 611 1HD2 LEU 84 1HD2 LEU 84 0.605 0.794 -0.717 612 2HD2 LEU 84 2HD2 LEU 84 0.984 -0.658 0.211 613 3HD2 LEU 84 3HD2 LEU 84 1.200 -0.649 -1.539 614 H ILE 85 H ILE 85 6.361 1.170 -0.780 615 HA ILE 85 HA ILE 85 6.521 0.925 -3.708 616 HB ILE 85 HB ILE 85 8.218 0.183 -1.325 617 1HG1 ILE 85 2HG1 ILE 85 8.033 2.559 -2.258 618 2HG1 ILE 85 1HG1 ILE 85 9.665 1.898 -2.155 619 1HG2 ILE 85 1HG2 ILE 85 9.861 -0.236 -3.468 620 2HG2 ILE 85 2HG2 ILE 85 8.336 -0.862 -4.094 621 3HG2 ILE 85 3HG2 ILE 85 9.018 -1.526 -2.610 622 1HD1 ILE 85 1HD1 ILE 85 8.534 2.993 -4.427 623 2HD1 ILE 85 2HD1 ILE 85 8.324 1.260 -4.685 624 3HD1 ILE 85 3HD1 ILE 85 9.935 1.920 -4.404 625 H GLY 86 H GLY 86 6.572 -1.109 -4.815 626 1HA GLY 86 2HA GLY 86 5.735 -3.506 -3.277 627 2HA GLY 86 1HA GLY 86 4.715 -2.983 -4.619 628 H THR 87 H THR 87 7.972 -4.115 -3.802 629 HA THR 87 HA THR 87 8.711 -4.452 -6.629 630 HB THR 87 HB THR 87 10.070 -5.456 -4.114 631 HG1 THR 87 HG1 THR 87 10.329 -2.956 -5.429 632 1HG2 THR 87 1HG2 THR 87 11.558 -4.456 -6.476 633 2HG2 THR 87 2HG2 THR 87 10.696 -5.981 -6.689 634 3HG2 THR 87 3HG2 THR 87 11.909 -5.822 -5.418 635 H GLN 88 H GLN 88 7.459 -6.063 -7.591 636 HA GLN 88 HA GLN 88 7.411 -8.741 -6.237 637 1HB GLN 88 2HB GLN 88 5.210 -7.734 -6.427 638 2HB GLN 88 1HB GLN 88 5.484 -7.362 -8.129 639 1HG GLN 88 2HG GLN 88 4.125 -9.352 -8.041 640 2HG GLN 88 1HG GLN 88 5.744 -9.841 -8.539 641 1HE2 GLN 88 1HE2 GLN 88 5.237 -12.030 -7.638 642 2HE2 GLN 88 2HE2 GLN 88 5.327 -12.288 -5.963 643 H SER 89 H SER 89 7.740 -10.587 -7.639 644 HA SER 89 HA SER 89 9.419 -9.974 -10.005 645 1HB SER 89 2HB SER 89 9.173 -12.033 -7.966 646 2HB SER 89 1HB SER 89 9.293 -12.732 -9.577 647 HG SER 89 HG SER 89 11.345 -12.325 -9.352 648 H THR 90 H THR 90 8.268 -9.762 -11.900 649 HA THR 90 HA THR 90 5.656 -10.789 -12.382 650 HB THR 90 HB THR 90 7.692 -10.380 -14.546 651 HG1 THR 90 HG1 THR 90 7.806 -8.264 -14.128 652 1HG2 THR 90 1HG2 THR 90 4.990 -10.686 -14.577 653 2HG2 THR 90 2HG2 THR 90 5.886 -9.795 -15.807 654 3HG2 THR 90 3HG2 THR 90 5.120 -8.931 -14.474 655 H ALA 91 H ALA 91 5.308 -12.968 -12.120 656 HA ALA 91 HA ALA 91 6.975 -15.155 -12.345 657 1HB ALA 91 1HB ALA 91 4.224 -14.586 -12.235 658 2HB ALA 91 2HB ALA 91 4.996 -16.147 -11.963 659 3HB ALA 91 3HB ALA 91 4.424 -15.715 -13.575 660 H ILE 92 H ILE 92 8.464 -15.268 -13.982 661 HA ILE 92 HA ILE 92 8.119 -14.648 -16.713 662 HB ILE 92 HB ILE 92 10.064 -16.289 -16.943 663 1HG1 ILE 92 2HG1 ILE 92 10.999 -17.230 -14.864 664 2HG1 ILE 92 1HG1 ILE 92 9.663 -16.573 -13.936 665 1HG2 ILE 92 1HG2 ILE 92 10.518 -13.986 -16.470 666 2HG2 ILE 92 2HG2 ILE 92 11.520 -14.940 -15.377 667 3HG2 ILE 92 3HG2 ILE 92 10.043 -14.181 -14.784 668 1HD1 ILE 92 1HD1 ILE 92 9.668 -19.096 -14.809 669 2HD1 ILE 92 2HD1 ILE 92 8.986 -18.331 -16.242 670 3HD1 ILE 92 3HD1 ILE 92 8.179 -18.162 -14.684 671 HA PRO 93 HA PRO 93 5.703 -17.940 -18.325 672 1HB PRO 93 2HB PRO 93 6.949 -18.551 -20.679 673 2HB PRO 93 1HB PRO 93 6.019 -17.058 -20.436 674 1HG PRO 93 2HG PRO 93 8.966 -17.477 -20.385 675 2HG PRO 93 1HG PRO 93 8.030 -16.117 -21.026 676 1HD PRO 93 2HD PRO 93 9.325 -16.066 -18.617 677 2HD PRO 93 1HD PRO 93 7.892 -15.084 -18.988 678 H ALA 94 H ALA 94 6.395 -19.458 -16.577 679 HA ALA 94 HA ALA 94 8.621 -21.312 -17.204 680 1HB ALA 94 1HB ALA 94 7.335 -22.186 -14.917 681 2HB ALA 94 2HB ALA 94 7.005 -20.453 -14.904 682 3HB ALA 94 3HB ALA 94 8.669 -21.034 -14.947 Start of MODEL 2 1 1H ASN 1 1H ASN 1 -9.504 10.215 6.722 2 2H ASN 1 2H ASN 1 -9.910 11.842 7.000 3 3H ASN 1 3H ASN 1 -8.707 11.091 7.935 4 HA ASN 1 HA ASN 1 -8.565 11.987 5.123 5 1HB ASN 1 2HB ASN 1 -7.790 12.927 7.640 6 2HB ASN 1 1HB ASN 1 -6.304 12.284 6.940 7 1HD2 ASN 1 1HD2 ASN 1 -9.057 14.457 6.112 8 2HD2 ASN 1 2HD2 ASN 1 -8.149 15.460 5.086 9 H ILE 2 H ILE 2 -6.402 11.383 4.107 10 HA ILE 2 HA ILE 2 -6.078 8.556 3.912 11 HB ILE 2 HB ILE 2 -5.402 10.668 2.430 12 1HG1 ILE 2 2HG1 ILE 2 -3.385 8.511 2.185 13 2HG1 ILE 2 1HG1 ILE 2 -5.067 7.979 2.208 14 1HG2 ILE 2 1HG2 ILE 2 -2.853 10.002 3.945 15 2HG2 ILE 2 2HG2 ILE 2 -3.722 11.538 3.993 16 3HG2 ILE 2 3HG2 ILE 2 -2.936 11.016 2.504 17 1HD1 ILE 2 1HD1 ILE 2 -3.629 9.622 0.189 18 2HD1 ILE 2 2HD1 ILE 2 -5.305 10.059 0.516 19 3HD1 ILE 2 3HD1 ILE 2 -4.910 8.432 -0.036 20 H ASP 3 H ASP 3 -4.162 7.277 4.564 21 HA ASP 3 HA ASP 3 -2.518 8.423 6.735 22 1HB ASP 3 2HB ASP 3 -3.144 6.545 8.196 23 2HB ASP 3 1HB ASP 3 -4.499 7.597 7.809 24 H ARG 4 H ARG 4 -1.113 8.060 4.830 25 HA ARG 4 HA ARG 4 0.080 6.417 3.336 26 1HB ARG 4 2HB ARG 4 2.189 6.257 4.821 27 2HB ARG 4 1HB ARG 4 1.551 7.867 4.486 28 1HG ARG 4 2HG ARG 4 0.335 6.594 6.840 29 2HG ARG 4 1HG ARG 4 2.070 6.869 7.004 30 1HD ARG 4 2HD ARG 4 1.859 9.192 6.815 31 2HD ARG 4 1HD ARG 4 0.318 9.075 5.941 32 HE ARG 4 HE ARG 4 -0.802 8.658 8.021 33 1HH1 ARG 4 1HH2 ARG 4 1.338 10.729 8.831 34 2HH1 ARG 4 2HH2 ARG 4 1.899 10.035 10.315 35 1HH2 ARG 4 1HH1 ARG 4 0.475 6.933 9.709 36 2HH2 ARG 4 2HH1 ARG 4 1.412 7.885 10.811 37 HA PRO 5 HA PRO 5 -1.075 2.387 5.107 38 1HB PRO 5 2HB PRO 5 -1.455 1.176 2.689 39 2HB PRO 5 1HB PRO 5 -2.703 2.154 3.487 40 1HG PRO 5 2HG PRO 5 -0.892 2.871 1.241 41 2HG PRO 5 1HG PRO 5 -2.576 3.333 1.527 42 1HD PRO 5 2HD PRO 5 -0.416 4.967 2.009 43 2HD PRO 5 1HD PRO 5 -1.996 5.125 2.808 44 H LYS 6 H LYS 6 -0.096 0.110 4.335 45 HA LYS 6 HA LYS 6 2.387 0.092 2.873 46 1HB LYS 6 2HB LYS 6 3.965 0.165 4.663 47 2HB LYS 6 1HB LYS 6 2.856 1.501 4.967 48 1HG LYS 6 2HG LYS 6 2.358 0.630 6.979 49 2HG LYS 6 1HG LYS 6 1.765 -0.836 6.202 50 1HD LYS 6 2HD LYS 6 4.398 -1.313 5.997 51 2HD LYS 6 1HD LYS 6 4.425 -0.284 7.428 52 1HE LYS 6 2HE LYS 6 2.766 -1.754 8.529 53 2HE LYS 6 1HE LYS 6 2.745 -2.795 7.092 54 1HZ LYS 6 1HZ LYS 6 4.415 -3.810 8.226 55 2HZ LYS 6 2HZ LYS 6 4.864 -2.405 9.069 56 3HZ LYS 6 3HZ LYS 6 5.343 -2.621 7.453 57 H GLY 7 H GLY 7 3.334 -2.052 2.846 58 1HA GLY 7 2HA GLY 7 3.431 -4.377 3.404 59 2HA GLY 7 1HA GLY 7 2.059 -4.147 4.491 60 H LEU 8 H LEU 8 2.383 -3.279 1.052 61 HA LEU 8 HA LEU 8 -0.218 -3.987 0.274 62 1HB LEU 8 2HB LEU 8 0.603 -3.587 -1.876 63 2HB LEU 8 1HB LEU 8 1.843 -2.803 -0.898 64 HG LEU 8 HG LEU 8 2.794 -5.360 -0.975 65 1HD1 LEU 8 1HD1 LEU 8 2.452 -5.410 -3.757 66 2HD1 LEU 8 2HD1 LEU 8 0.843 -5.082 -3.113 67 3HD1 LEU 8 3HD1 LEU 8 1.728 -6.517 -2.590 68 1HD2 LEU 8 1HD2 LEU 8 3.726 -2.960 -1.669 69 2HD2 LEU 8 2HD2 LEU 8 3.421 -3.570 -3.297 70 3HD2 LEU 8 3HD2 LEU 8 4.521 -4.434 -2.222 71 H ALA 9 H ALA 9 -1.064 -5.904 -0.787 72 HA ALA 9 HA ALA 9 0.384 -8.415 -0.027 73 1HB ALA 9 1HB ALA 9 -1.973 -9.354 -0.126 74 2HB ALA 9 2HB ALA 9 -2.541 -7.706 -0.396 75 3HB ALA 9 3HB ALA 9 -1.726 -8.123 1.112 76 H PHE 10 H PHE 10 -0.011 -10.271 -1.570 77 HA PHE 10 HA PHE 10 -0.249 -9.298 -4.401 78 1HB PHE 10 2HB PHE 10 1.548 -11.343 -3.072 79 2HB PHE 10 1HB PHE 10 1.389 -11.213 -4.824 80 HD1 PHE 10 HD1 PHE 10 1.464 -8.584 -5.631 81 HD2 PHE 10 HD2 PHE 10 3.382 -10.244 -2.163 82 HE1 PHE 10 HE1 PHE 10 3.095 -6.713 -5.636 83 HE2 PHE 10 HE2 PHE 10 5.010 -8.374 -2.169 84 HZ PHE 10 HZ PHE 10 4.868 -6.609 -3.904 85 H THR 11 H THR 11 -1.793 -10.358 -5.615 86 HA THR 11 HA THR 11 -3.160 -12.707 -4.392 87 HB THR 11 HB THR 11 -3.857 -10.583 -6.425 88 HG1 THR 11 HG1 THR 11 -4.609 -9.848 -4.611 89 1HG2 THR 11 1HG2 THR 11 -4.893 -12.332 -7.509 90 2HG2 THR 11 2HG2 THR 11 -6.140 -11.936 -6.327 91 3HG2 THR 11 3HG2 THR 11 -5.049 -13.291 -6.038 92 H ASP 12 H ASP 12 -2.062 -11.579 -7.616 93 HA ASP 12 HA ASP 12 -1.055 -14.279 -8.243 94 1HB ASP 12 2HB ASP 12 -3.647 -13.872 -8.724 95 2HB ASP 12 1HB ASP 12 -3.013 -13.086 -10.170 96 H VAL 13 H VAL 13 0.968 -13.668 -8.957 97 HA VAL 13 HA VAL 13 1.236 -11.196 -10.594 98 HB VAL 13 HB VAL 13 2.640 -11.574 -8.583 99 1HG1 VAL 13 1HG1 VAL 13 4.359 -13.589 -9.794 100 2HG1 VAL 13 2HG1 VAL 13 2.723 -14.197 -9.549 101 3HG1 VAL 13 3HG1 VAL 13 3.639 -13.559 -8.185 102 1HG2 VAL 13 1HG2 VAL 13 4.806 -11.830 -10.443 103 2HG2 VAL 13 2HG2 VAL 13 4.189 -10.364 -9.683 104 3HG2 VAL 13 3HG2 VAL 13 3.515 -10.912 -11.218 105 H ASP 14 H ASP 14 0.973 -11.592 -12.765 106 HA ASP 14 HA ASP 14 2.088 -14.136 -13.890 107 1HB ASP 14 2HB ASP 14 -0.380 -12.733 -14.136 108 2HB ASP 14 1HB ASP 14 0.428 -12.635 -15.701 109 H VAL 15 H VAL 15 3.439 -13.976 -15.764 110 HA VAL 15 HA VAL 15 5.407 -12.076 -15.955 111 HB VAL 15 HB VAL 15 5.342 -14.133 -17.226 112 1HG1 VAL 15 1HG1 VAL 15 3.763 -14.595 -18.924 113 2HG1 VAL 15 2HG1 VAL 15 3.217 -12.920 -18.975 114 3HG1 VAL 15 3HG1 VAL 15 2.820 -13.935 -17.588 115 1HG2 VAL 15 1HG2 VAL 15 6.743 -12.462 -18.208 116 2HG2 VAL 15 2HG2 VAL 15 5.357 -11.658 -18.944 117 3HG2 VAL 15 3HG2 VAL 15 5.868 -13.244 -19.518 118 H ASP 16 H ASP 16 2.140 -11.843 -17.294 119 HA ASP 16 HA ASP 16 2.644 -8.941 -17.851 120 1HB ASP 16 2HB ASP 16 1.393 -9.232 -19.952 121 2HB ASP 16 1HB ASP 16 2.766 -10.339 -19.911 122 H SER 17 H SER 17 1.452 -9.862 -15.491 123 HA SER 17 HA SER 17 -1.036 -8.477 -15.435 124 1HB SER 17 2HB SER 17 -1.978 -10.174 -16.782 125 2HB SER 17 1HB SER 17 -1.073 -11.443 -15.966 126 HG SER 17 HG SER 17 -3.446 -10.200 -15.282 127 H ILE 18 H ILE 18 -0.630 -7.755 -13.351 128 HA ILE 18 HA ILE 18 -0.173 -9.861 -11.265 129 HB ILE 18 HB ILE 18 0.930 -7.045 -11.283 130 1HG1 ILE 18 2HG1 ILE 18 2.181 -9.631 -12.267 131 2HG1 ILE 18 1HG1 ILE 18 1.821 -8.202 -13.236 132 1HG2 ILE 18 1HG2 ILE 18 1.521 -9.564 -9.709 133 2HG2 ILE 18 2HG2 ILE 18 0.906 -8.032 -9.088 134 3HG2 ILE 18 3HG2 ILE 18 2.562 -8.141 -9.683 135 1HD1 ILE 18 1HD1 ILE 18 4.182 -8.755 -11.724 136 2HD1 ILE 18 2HD1 ILE 18 3.378 -7.365 -10.995 137 3HD1 ILE 18 3HD1 ILE 18 3.823 -7.332 -12.701 138 H LYS 19 H LYS 19 -1.697 -9.837 -9.687 139 HA LYS 19 HA LYS 19 -3.493 -7.463 -9.436 140 1HB LYS 19 2HB LYS 19 -3.633 -10.414 -8.909 141 2HB LYS 19 1HB LYS 19 -4.691 -9.346 -7.986 142 1HG LYS 19 2HG LYS 19 -5.999 -9.848 -9.862 143 2HG LYS 19 1HG LYS 19 -5.263 -8.310 -10.312 144 1HD LYS 19 2HD LYS 19 -4.790 -9.537 -12.215 145 2HD LYS 19 1HD LYS 19 -3.354 -9.901 -11.260 146 1HE LYS 19 2HE LYS 19 -4.635 -11.935 -10.358 147 2HE LYS 19 1HE LYS 19 -5.801 -11.636 -11.663 148 1HZ LYS 19 1HZ LYS 19 -3.652 -13.089 -12.060 149 2HZ LYS 19 2HZ LYS 19 -2.955 -11.565 -12.334 150 3HZ LYS 19 3HZ LYS 19 -4.277 -12.081 -13.271 151 H ILE 20 H ILE 20 -3.164 -6.135 -7.658 152 HA ILE 20 HA ILE 20 -1.900 -7.365 -5.233 153 HB ILE 20 HB ILE 20 -0.387 -5.444 -5.121 154 1HG1 ILE 20 2HG1 ILE 20 -1.015 -4.413 -7.799 155 2HG1 ILE 20 1HG1 ILE 20 -2.330 -4.180 -6.645 156 1HG2 ILE 20 1HG2 ILE 20 -0.334 -6.445 -7.972 157 2HG2 ILE 20 2HG2 ILE 20 0.080 -7.491 -6.612 158 3HG2 ILE 20 3HG2 ILE 20 1.032 -6.041 -6.930 159 1HD1 ILE 20 1HD1 ILE 20 0.342 -2.931 -6.730 160 2HD1 ILE 20 2HD1 ILE 20 -0.155 -3.487 -5.131 161 3HD1 ILE 20 3HD1 ILE 20 -1.157 -2.336 -6.015 162 H ALA 21 H ALA 21 -2.416 -6.299 -3.258 163 HA ALA 21 HA ALA 21 -4.578 -4.231 -3.411 164 1HB ALA 21 1HB ALA 21 -5.467 -6.503 -2.973 165 2HB ALA 21 2HB ALA 21 -5.678 -5.463 -1.566 166 3HB ALA 21 3HB ALA 21 -4.380 -6.658 -1.594 167 H TRP 22 H TRP 22 -4.157 -2.483 -2.073 168 HA TRP 22 HA TRP 22 -1.807 -2.715 -0.227 169 1HB TRP 22 2HB TRP 22 -1.857 -0.217 -0.419 170 2HB TRP 22 1HB TRP 22 -1.692 -1.021 -1.981 171 HD1 TRP 22 HD1 TRP 22 -4.197 0.900 0.164 172 HE1 TRP 22 HE1 TRP 22 -6.161 1.652 -1.332 173 HE3 TRP 22 HE3 TRP 22 -2.998 -1.550 -4.148 174 HZ2 TRP 22 HZ2 TRP 22 -7.089 1.260 -4.011 175 HZ3 TRP 22 HZ3 TRP 22 -4.437 -1.341 -6.154 176 HH2 TRP 22 HH2 TRP 22 -6.479 0.062 -6.091 177 H GLU 23 H GLU 23 -1.999 -1.986 1.955 178 HA GLU 23 HA GLU 23 -4.283 -2.572 3.429 179 1HB GLU 23 2HB GLU 23 -1.844 -1.874 4.071 180 2HB GLU 23 1HB GLU 23 -2.506 -0.241 4.129 181 1HG GLU 23 2HG GLU 23 -3.149 -0.718 6.243 182 2HG GLU 23 1HG GLU 23 -4.381 -1.751 5.520 183 H SER 24 H SER 24 -6.149 -1.419 4.035 184 HA SER 24 HA SER 24 -6.889 0.847 2.309 185 1HB SER 24 2HB SER 24 -8.372 -1.081 2.847 186 2HB SER 24 1HB SER 24 -8.367 -0.584 4.535 187 HG SER 24 HG SER 24 -9.111 1.518 3.638 188 HA PRO 25 HA PRO 25 -5.762 3.827 5.379 189 1HB PRO 25 2HB PRO 25 -6.954 5.993 4.223 190 2HB PRO 25 1HB PRO 25 -5.434 5.293 3.629 191 1HG PRO 25 2HG PRO 25 -8.196 4.988 2.569 192 2HG PRO 25 1HG PRO 25 -6.657 5.102 1.701 193 1HD PRO 25 2HD PRO 25 -8.005 2.748 2.141 194 2HD PRO 25 1HD PRO 25 -6.252 2.860 1.865 195 H GLN 26 H GLN 26 -7.346 5.970 6.137 196 HA GLN 26 HA GLN 26 -9.790 4.623 7.246 197 1HB GLN 26 2HB GLN 26 -7.716 6.511 8.331 198 2HB GLN 26 1HB GLN 26 -9.321 6.463 9.062 199 1HG GLN 26 2HG GLN 26 -8.191 3.800 8.578 200 2HG GLN 26 1HG GLN 26 -7.236 4.770 9.700 201 1HE2 GLN 26 1HE2 GLN 26 -8.061 5.056 11.811 202 2HE2 GLN 26 2HE2 GLN 26 -9.587 4.506 12.312 203 H GLY 27 H GLY 27 -9.107 6.655 4.849 204 1HA GLY 27 2HA GLY 27 -11.457 8.407 5.450 205 2HA GLY 27 1HA GLY 27 -10.002 9.070 4.707 206 H GLN 28 H GLN 28 -10.633 5.892 3.692 207 HA GLN 28 HA GLN 28 -11.307 5.051 1.588 208 1HB GLN 28 2HB GLN 28 -13.293 6.838 2.684 209 2HB GLN 28 1HB GLN 28 -13.317 6.926 0.921 210 1HG GLN 28 2HG GLN 28 -14.515 5.015 0.953 211 2HG GLN 28 1HG GLN 28 -13.034 4.203 1.465 212 1HE2 GLN 28 1HE2 GLN 28 -14.345 2.709 2.813 213 2HE2 GLN 28 2HE2 GLN 28 -14.990 3.236 4.292 214 H VAL 29 H VAL 29 -9.662 5.455 0.129 215 HA VAL 29 HA VAL 29 -8.919 8.105 -0.781 216 HB VAL 29 HB VAL 29 -8.331 5.274 -1.674 217 1HG1 VAL 29 1HG1 VAL 29 -7.330 7.927 -2.714 218 2HG1 VAL 29 2HG1 VAL 29 -7.943 6.551 -3.632 219 3HG1 VAL 29 3HG1 VAL 29 -6.361 6.459 -2.855 220 1HG2 VAL 29 1HG2 VAL 29 -6.422 7.236 -0.423 221 2HG2 VAL 29 2HG2 VAL 29 -6.370 5.475 -0.407 222 3HG2 VAL 29 3HG2 VAL 29 -7.545 6.330 0.589 223 H SER 30 H SER 30 -10.049 9.282 -2.262 224 HA SER 30 HA SER 30 -12.070 8.003 -3.985 225 1HB SER 30 2HB SER 30 -12.145 10.265 -2.690 226 2HB SER 30 1HB SER 30 -11.175 10.887 -4.020 227 HG SER 30 HG SER 30 -12.886 10.851 -5.240 228 H ARG 31 H ARG 31 -8.756 8.575 -4.150 229 HA ARG 31 HA ARG 31 -8.600 7.890 -6.969 230 1HB ARG 31 2HB ARG 31 -9.099 10.550 -6.363 231 2HB ARG 31 1HB ARG 31 -7.348 10.511 -6.583 232 1HG ARG 31 2HG ARG 31 -8.481 8.909 -8.642 233 2HG ARG 31 1HG ARG 31 -9.399 10.416 -8.592 234 1HD ARG 31 2HD ARG 31 -6.362 10.347 -8.611 235 2HD ARG 31 1HD ARG 31 -7.345 10.507 -10.082 236 HE ARG 31 HE ARG 31 -8.449 12.460 -8.619 237 1HH1 ARG 31 1HH2 ARG 31 -5.900 12.680 -10.484 238 2HH1 ARG 31 2HH2 ARG 31 -4.942 13.748 -9.512 239 1HH2 ARG 31 1HH1 ARG 31 -6.903 13.359 -6.678 240 2HH2 ARG 31 2HH1 ARG 31 -5.513 14.140 -7.360 241 H TYR 32 H TYR 32 -6.408 7.406 -7.566 242 HA TYR 32 HA TYR 32 -4.241 7.942 -5.637 243 1HB TYR 32 2HB TYR 32 -3.869 5.496 -5.297 244 2HB TYR 32 1HB TYR 32 -5.433 6.027 -4.675 245 HD1 TYR 32 HD1 TYR 32 -3.875 4.717 -7.831 246 HD2 TYR 32 HD2 TYR 32 -7.354 4.867 -5.314 247 HE1 TYR 32 HE1 TYR 32 -5.023 3.106 -9.324 248 HE2 TYR 32 HE2 TYR 32 -8.501 3.256 -6.809 249 HH TYR 32 HH TYR 32 -6.882 1.441 -9.153 250 H ARG 33 H ARG 33 -2.146 7.349 -6.538 251 HA ARG 33 HA ARG 33 -2.235 6.902 -9.500 252 1HB ARG 33 2HB ARG 33 -1.331 9.066 -8.201 253 2HB ARG 33 1HB ARG 33 0.127 8.077 -8.097 254 1HG ARG 33 2HG ARG 33 0.455 8.066 -10.389 255 2HG ARG 33 1HG ARG 33 -1.264 8.254 -10.738 256 1HD ARG 33 2HD ARG 33 0.080 10.323 -11.255 257 2HD ARG 33 1HD ARG 33 -1.181 10.608 -10.039 258 HE ARG 33 HE ARG 33 0.635 10.246 -8.303 259 1HH1 ARG 33 1HH1 ARG 33 1.049 12.864 -9.708 260 2HH1 ARG 33 2HH1 ARG 33 2.725 12.783 -10.142 261 1HH2 ARG 33 1HH2 ARG 33 2.957 9.358 -9.655 262 2HH2 ARG 33 2HH2 ARG 33 3.805 10.799 -10.108 263 H VAL 34 H VAL 34 -1.766 4.748 -9.821 264 HA VAL 34 HA VAL 34 0.167 3.376 -8.041 265 HB VAL 34 HB VAL 34 -1.462 2.373 -10.396 266 1HG1 VAL 34 1HG1 VAL 34 0.560 1.064 -9.369 267 2HG1 VAL 34 2HG1 VAL 34 -0.959 0.214 -9.647 268 3HG1 VAL 34 3HG1 VAL 34 -0.541 0.768 -8.025 269 1HG2 VAL 34 1HG2 VAL 34 -3.303 2.326 -9.077 270 2HG2 VAL 34 2HG2 VAL 34 -2.433 3.416 -7.997 271 3HG2 VAL 34 3HG2 VAL 34 -2.393 1.676 -7.712 272 H THR 35 H THR 35 2.187 4.296 -8.730 273 HA THR 35 HA THR 35 2.885 4.216 -11.602 274 HB THR 35 HB THR 35 5.124 4.967 -10.194 275 HG1 THR 35 HG1 THR 35 3.047 6.175 -8.775 276 1HG2 THR 35 1HG2 THR 35 2.730 6.599 -11.062 277 2HG2 THR 35 2HG2 THR 35 4.187 6.261 -11.996 278 3HG2 THR 35 3HG2 THR 35 4.271 7.308 -10.579 279 H TYR 36 H TYR 36 4.294 2.728 -12.501 280 HA TYR 36 HA TYR 36 5.696 0.810 -10.691 281 1HB TYR 36 2HB TYR 36 4.880 -0.899 -12.607 282 2HB TYR 36 1HB TYR 36 3.905 -0.576 -11.180 283 HD1 TYR 36 HD1 TYR 36 4.196 -0.152 -14.796 284 HD2 TYR 36 HD2 TYR 36 1.991 1.019 -11.301 285 HE1 TYR 36 HE1 TYR 36 2.353 0.684 -16.236 286 HE2 TYR 36 HE2 TYR 36 0.154 1.855 -12.739 287 HH TYR 36 HH TYR 36 -0.027 1.151 -16.086 288 H SER 37 H SER 37 7.571 -0.179 -11.710 289 HA SER 37 HA SER 37 8.278 0.946 -14.370 290 1HB SER 37 2HB SER 37 10.571 1.420 -13.291 291 2HB SER 37 1HB SER 37 9.246 2.499 -12.865 292 HG SER 37 HG SER 37 10.727 1.121 -11.229 293 H SER 38 H SER 38 10.355 -0.077 -15.198 294 HA SER 38 HA SER 38 10.802 -2.844 -14.182 295 1HB SER 38 2HB SER 38 9.142 -2.148 -16.326 296 2HB SER 38 1HB SER 38 10.639 -2.685 -17.088 297 HG SER 38 HG SER 38 9.909 -4.614 -16.666 298 HA PRO 39 HA PRO 39 14.901 -1.950 -15.508 299 1HB PRO 39 2HB PRO 39 15.863 -4.440 -16.049 300 2HB PRO 39 1HB PRO 39 15.511 -3.878 -14.403 301 1HG PRO 39 2HG PRO 39 14.021 -5.775 -16.095 302 2HG PRO 39 1HG PRO 39 14.071 -5.631 -14.334 303 1HD PRO 39 2HD PRO 39 12.024 -4.706 -16.071 304 2HD PRO 39 1HD PRO 39 12.167 -4.408 -14.325 305 H GLU 40 H GLU 40 12.891 -1.770 -17.682 306 HA GLU 40 HA GLU 40 14.729 -2.154 -19.966 307 1HB GLU 40 2HB GLU 40 11.923 -3.286 -20.034 308 2HB GLU 40 1HB GLU 40 13.246 -3.603 -21.154 309 1HG GLU 40 2HG GLU 40 14.507 -4.705 -19.308 310 2HG GLU 40 1HG GLU 40 13.122 -4.453 -18.245 311 H ASP 41 H ASP 41 11.194 -1.620 -19.728 312 HA ASP 41 HA ASP 41 11.277 0.624 -21.553 313 1HB ASP 41 2HB ASP 41 9.309 -0.753 -21.383 314 2HB ASP 41 1HB ASP 41 9.218 -0.502 -19.640 315 H GLY 42 H GLY 42 10.854 0.316 -18.036 316 1HA GLY 42 2HA GLY 42 12.206 2.069 -16.762 317 2HA GLY 42 1HA GLY 42 11.404 3.235 -17.809 318 H ILE 43 H ILE 43 9.991 4.334 -16.489 319 HA ILE 43 HA ILE 43 8.278 2.712 -14.643 320 HB ILE 43 HB ILE 43 9.915 4.435 -13.743 321 1HG1 ILE 43 2HG1 ILE 43 7.060 5.193 -13.124 322 2HG1 ILE 43 1HG1 ILE 43 7.693 3.611 -12.662 323 1HG2 ILE 43 1HG2 ILE 43 8.067 6.631 -14.286 324 2HG2 ILE 43 2HG2 ILE 43 8.792 5.991 -15.761 325 3HG2 ILE 43 3HG2 ILE 43 9.821 6.580 -14.455 326 1HD1 ILE 43 1HD1 ILE 43 9.157 6.154 -11.960 327 2HD1 ILE 43 2HD1 ILE 43 9.330 4.554 -11.237 328 3HD1 ILE 43 3HD1 ILE 43 7.882 5.510 -10.924 329 H HIS 44 H HIS 44 6.052 3.389 -14.392 330 HA HIS 44 HA HIS 44 4.945 5.099 -16.580 331 1HB HIS 44 2HB HIS 44 4.950 2.569 -17.040 332 2HB HIS 44 1HB HIS 44 3.779 2.440 -15.728 333 HD1 HIS 44 HD1 HIS 44 1.382 3.162 -16.205 334 HD2 HIS 44 HD2 HIS 44 3.993 4.092 -19.319 335 HE1 HIS 44 HE1 HIS 44 -0.059 3.926 -18.148 336 H GLU 45 H GLU 45 2.451 5.437 -16.014 337 HA GLU 45 HA GLU 45 2.009 5.442 -13.062 338 1HB GLU 45 2HB GLU 45 1.478 7.849 -13.155 339 2HB GLU 45 1HB GLU 45 3.125 7.556 -13.715 340 1HG GLU 45 2HG GLU 45 1.633 7.292 -16.031 341 2HG GLU 45 1HG GLU 45 0.823 8.611 -15.186 342 H LEU 46 H LEU 46 0.003 4.579 -12.760 343 HA LEU 46 HA LEU 46 -2.048 4.869 -14.914 344 1HB LEU 46 2HB LEU 46 -1.153 2.652 -13.785 345 2HB LEU 46 1HB LEU 46 -2.280 3.092 -12.502 346 HG LEU 46 HG LEU 46 -4.052 3.332 -14.317 347 1HD1 LEU 46 1HD1 LEU 46 -2.387 3.472 -16.186 348 2HD1 LEU 46 2HD1 LEU 46 -3.628 2.248 -16.445 349 3HD1 LEU 46 3HD1 LEU 46 -2.014 1.768 -15.923 350 1HD2 LEU 46 1HD2 LEU 46 -3.256 1.165 -12.840 351 2HD2 LEU 46 2HD2 LEU 46 -3.188 0.511 -14.478 352 3HD2 LEU 46 3HD2 LEU 46 -4.693 1.193 -13.860 353 H PHE 47 H PHE 47 -3.838 6.143 -14.507 354 HA PHE 47 HA PHE 47 -4.357 6.959 -11.668 355 1HB PHE 47 2HB PHE 47 -4.985 9.213 -12.841 356 2HB PHE 47 1HB PHE 47 -3.281 8.831 -12.608 357 HD1 PHE 47 HD1 PHE 47 -2.024 7.679 -14.536 358 HD2 PHE 47 HD2 PHE 47 -5.852 9.568 -15.015 359 HE1 PHE 47 HE1 PHE 47 -1.659 7.799 -16.984 360 HE2 PHE 47 HE2 PHE 47 -5.485 9.688 -17.464 361 HZ PHE 47 HZ PHE 47 -3.388 8.803 -18.449 362 HA PRO 48 HA PRO 48 -8.238 5.713 -13.905 363 1HB PRO 48 2HB PRO 48 -8.645 3.238 -12.842 364 2HB PRO 48 1HB PRO 48 -7.695 3.506 -14.316 365 1HG PRO 48 2HG PRO 48 -6.786 2.832 -11.595 366 2HG PRO 48 1HG PRO 48 -6.005 2.538 -13.154 367 1HD PRO 48 2HD PRO 48 -5.388 4.592 -11.295 368 2HD PRO 48 1HD PRO 48 -4.742 4.400 -12.937 369 H ALA 49 H ALA 49 -9.080 7.367 -12.451 370 HA ALA 49 HA ALA 49 -9.442 7.381 -9.726 371 1HB ALA 49 1HB ALA 49 -10.238 9.139 -11.159 372 2HB ALA 49 2HB ALA 49 -11.645 8.512 -10.300 373 3HB ALA 49 3HB ALA 49 -11.352 8.042 -11.975 374 HA PRO 50 HA PRO 50 -11.656 3.538 -9.137 375 1HB PRO 50 2HB PRO 50 -11.715 3.651 -6.411 376 2HB PRO 50 1HB PRO 50 -10.282 3.149 -7.330 377 1HG PRO 50 2HG PRO 50 -10.870 5.752 -6.026 378 2HG PRO 50 1HG PRO 50 -9.332 4.890 -6.186 379 1HD PRO 50 2HD PRO 50 -10.071 7.035 -7.744 380 2HD PRO 50 1HD PRO 50 -8.891 5.799 -8.234 381 H ASP 51 H ASP 51 -13.458 3.198 -7.099 382 HA ASP 51 HA ASP 51 -15.530 5.275 -7.706 383 1HB ASP 51 2HB ASP 51 -15.969 3.105 -8.690 384 2HB ASP 51 1HB ASP 51 -15.656 2.301 -7.151 385 H GLY 52 H GLY 52 -13.771 3.622 -5.204 386 1HA GLY 52 2HA GLY 52 -13.718 4.709 -2.973 387 2HA GLY 52 1HA GLY 52 -15.446 5.020 -3.157 388 H GLU 53 H GLU 53 -14.072 1.959 -4.138 389 HA GLU 53 HA GLU 53 -14.995 0.652 -1.638 390 1HB GLU 53 2HB GLU 53 -16.253 -0.979 -3.194 391 2HB GLU 53 1HB GLU 53 -16.970 0.615 -2.952 392 1HG GLU 53 2HG GLU 53 -16.418 1.341 -5.084 393 2HG GLU 53 1HG GLU 53 -15.034 0.261 -5.205 394 H GLU 54 H GLU 54 -13.285 0.421 -4.724 395 HA GLU 54 HA GLU 54 -12.134 -2.207 -4.075 396 1HB GLU 54 2HB GLU 54 -12.231 -0.271 -6.336 397 2HB GLU 54 1HB GLU 54 -10.837 -1.351 -6.279 398 1HG GLU 54 2HG GLU 54 -12.898 -3.083 -5.730 399 2HG GLU 54 1HG GLU 54 -13.662 -1.963 -6.860 400 H ASP 55 H ASP 55 -10.278 -2.418 -2.903 401 HA ASP 55 HA ASP 55 -8.528 -0.010 -2.576 402 1HB ASP 55 2HB ASP 55 -9.724 -1.871 -0.800 403 2HB ASP 55 1HB ASP 55 -7.989 -2.188 -0.765 404 H THR 56 H THR 56 -8.635 -2.372 -4.667 405 HA THR 56 HA THR 56 -5.713 -3.043 -4.469 406 HB THR 56 HB THR 56 -6.300 -5.221 -5.393 407 HG1 THR 56 HG1 THR 56 -8.652 -5.586 -5.627 408 1HG2 THR 56 1HG2 THR 56 -6.716 -4.601 -2.894 409 2HG2 THR 56 2HG2 THR 56 -7.364 -6.119 -3.512 410 3HG2 THR 56 3HG2 THR 56 -8.421 -4.721 -3.324 411 H ALA 57 H ALA 57 -4.834 -3.638 -6.738 412 HA ALA 57 HA ALA 57 -6.191 -2.031 -8.874 413 1HB ALA 57 1HB ALA 57 -4.518 -0.571 -8.160 414 2HB ALA 57 2HB ALA 57 -3.675 -1.459 -9.430 415 3HB ALA 57 3HB ALA 57 -3.418 -1.882 -7.736 416 H GLU 58 H GLU 58 -5.824 -2.794 -11.014 417 HA GLU 58 HA GLU 58 -4.735 -5.579 -11.202 418 1HB GLU 58 2HB GLU 58 -7.124 -4.317 -12.003 419 2HB GLU 58 1HB GLU 58 -6.217 -4.591 -13.491 420 1HG GLU 58 2HG GLU 58 -6.418 -6.854 -13.347 421 2HG GLU 58 1HG GLU 58 -6.191 -6.858 -11.599 422 H LEU 59 H LEU 59 -2.499 -4.887 -11.466 423 HA LEU 59 HA LEU 59 -1.772 -3.061 -13.638 424 1HB LEU 59 2HB LEU 59 -0.216 -4.900 -11.790 425 2HB LEU 59 1HB LEU 59 0.529 -3.744 -12.893 426 HG LEU 59 HG LEU 59 -1.258 -3.156 -10.524 427 1HD1 LEU 59 1HD1 LEU 59 0.619 -2.123 -9.602 428 2HD1 LEU 59 2HD1 LEU 59 1.373 -1.862 -11.174 429 3HD1 LEU 59 3HD1 LEU 59 1.355 -3.475 -10.462 430 1HD2 LEU 59 1HD2 LEU 59 -0.497 -1.435 -12.890 431 2HD2 LEU 59 2HD2 LEU 59 -0.858 -0.716 -11.320 432 3HD2 LEU 59 3HD2 LEU 59 -2.088 -1.658 -12.164 433 H GLN 60 H GLN 60 -2.788 -4.245 -15.413 434 HA GLN 60 HA GLN 60 -1.460 -6.826 -16.094 435 1HB GLN 60 2HB GLN 60 -3.969 -5.629 -17.269 436 2HB GLN 60 1HB GLN 60 -3.479 -7.320 -17.263 437 1HG GLN 60 2HG GLN 60 -3.828 -7.491 -14.871 438 2HG GLN 60 1HG GLN 60 -4.091 -5.750 -14.736 439 1HE2 GLN 60 1HE2 GLN 60 -6.153 -4.890 -15.461 440 2HE2 GLN 60 2HE2 GLN 60 -7.466 -5.901 -15.828 441 H GLY 61 H GLY 61 -0.092 -6.862 -17.829 442 1HA GLY 61 2HA GLY 61 0.395 -6.266 -20.169 443 2HA GLY 61 1HA GLY 61 -0.303 -4.675 -19.853 444 H LEU 62 H LEU 62 2.330 -6.759 -18.586 445 HA LEU 62 HA LEU 62 4.015 -4.279 -18.389 446 1HB LEU 62 2HB LEU 62 4.270 -6.706 -16.614 447 2HB LEU 62 1HB LEU 62 4.788 -5.051 -16.293 448 HG LEU 62 HG LEU 62 1.904 -5.963 -16.526 449 1HD1 LEU 62 1HD1 LEU 62 2.085 -6.546 -14.366 450 2HD1 LEU 62 2HD1 LEU 62 2.528 -4.885 -13.976 451 3HD1 LEU 62 3HD1 LEU 62 3.781 -6.066 -14.354 452 1HD2 LEU 62 1HD2 LEU 62 1.279 -3.752 -16.185 453 2HD2 LEU 62 2HD2 LEU 62 2.755 -3.510 -17.120 454 3HD2 LEU 62 3HD2 LEU 62 2.786 -3.344 -15.365 455 H ARG 63 H ARG 63 6.435 -5.343 -17.870 456 HA ARG 63 HA ARG 63 7.160 -6.677 -20.380 457 1HB ARG 63 2HB ARG 63 8.722 -5.717 -17.961 458 2HB ARG 63 1HB ARG 63 9.461 -6.318 -19.446 459 1HG ARG 63 2HG ARG 63 7.756 -3.845 -19.094 460 2HG ARG 63 1HG ARG 63 9.416 -3.944 -19.679 461 1HD ARG 63 2HD ARG 63 8.450 -5.399 -21.604 462 2HD ARG 63 1HD ARG 63 6.877 -4.738 -21.111 463 HE ARG 63 HE ARG 63 9.199 -2.980 -21.804 464 1HH1 ARG 63 1HH2 ARG 63 7.442 -3.443 -24.090 465 2HH1 ARG 63 2HH2 ARG 63 6.252 -2.193 -23.946 466 1HH2 ARG 63 1HH1 ARG 63 6.966 -1.526 -20.619 467 2HH2 ARG 63 2HH1 ARG 63 5.980 -1.111 -21.982 468 HA PRO 64 HA PRO 64 7.012 -10.652 -18.489 469 1HB PRO 64 2HB PRO 64 8.034 -12.075 -20.578 470 2HB PRO 64 1HB PRO 64 6.384 -11.426 -20.568 471 1HG PRO 64 2HG PRO 64 8.790 -10.434 -21.983 472 2HG PRO 64 1HG PRO 64 7.086 -10.354 -22.452 473 1HD PRO 64 2HD PRO 64 8.570 -8.259 -21.368 474 2HD PRO 64 1HD PRO 64 6.799 -8.342 -21.450 475 H GLY 65 H GLY 65 8.456 -11.639 -17.110 476 1HA GLY 65 2HA GLY 65 10.486 -12.466 -16.260 477 2HA GLY 65 1HA GLY 65 11.184 -12.234 -17.864 478 H SER 66 H SER 66 10.114 -10.319 -15.035 479 HA SER 66 HA SER 66 12.647 -8.889 -14.950 480 1HB SER 66 2HB SER 66 12.075 -7.482 -16.645 481 2HB SER 66 1HB SER 66 10.374 -7.931 -16.559 482 HG SER 66 HG SER 66 10.073 -6.163 -15.481 483 H GLU 67 H GLU 67 12.890 -8.039 -12.892 484 HA GLU 67 HA GLU 67 10.849 -8.423 -10.885 485 1HB GLU 67 2HB GLU 67 13.268 -8.451 -10.432 486 2HB GLU 67 1HB GLU 67 13.397 -6.768 -10.945 487 1HG GLU 67 2HG GLU 67 12.478 -5.960 -9.006 488 2HG GLU 67 1HG GLU 67 11.385 -7.335 -8.831 489 H TYR 68 H TYR 68 8.956 -7.228 -11.311 490 HA TYR 68 HA TYR 68 9.079 -4.446 -12.202 491 1HB TYR 68 2HB TYR 68 7.238 -6.589 -12.118 492 2HB TYR 68 1HB TYR 68 6.520 -5.280 -11.176 493 HD1 TYR 68 HD1 TYR 68 5.641 -3.346 -12.237 494 HD2 TYR 68 HD2 TYR 68 8.115 -6.076 -14.441 495 HE1 TYR 68 HE1 TYR 68 5.111 -2.132 -14.335 496 HE2 TYR 68 HE2 TYR 68 7.591 -4.865 -16.532 497 HH TYR 68 HH TYR 68 5.807 -1.841 -16.514 498 H THR 69 H THR 69 9.161 -2.674 -10.911 499 HA THR 69 HA THR 69 8.705 -3.016 -7.969 500 HB THR 69 HB THR 69 10.200 -0.900 -9.560 501 HG1 THR 69 HG1 THR 69 12.024 -2.009 -8.880 502 1HG2 THR 69 1HG2 THR 69 9.252 -0.887 -6.903 503 2HG2 THR 69 2HG2 THR 69 10.400 0.237 -7.633 504 3HG2 THR 69 3HG2 THR 69 10.983 -1.205 -6.800 505 H VAL 70 H VAL 70 6.471 -2.575 -7.779 506 HA VAL 70 HA VAL 70 5.336 -0.244 -9.220 507 HB VAL 70 HB VAL 70 4.026 -2.218 -7.343 508 1HG1 VAL 70 1HG1 VAL 70 2.769 -0.874 -9.720 509 2HG1 VAL 70 2HG1 VAL 70 2.925 0.011 -8.203 510 3HG1 VAL 70 3HG1 VAL 70 2.002 -1.489 -8.258 511 1HG2 VAL 70 1HG2 VAL 70 4.926 -3.652 -8.949 512 2HG2 VAL 70 2HG2 VAL 70 4.869 -2.429 -10.218 513 3HG2 VAL 70 3HG2 VAL 70 3.387 -3.229 -9.696 514 H SER 71 H SER 71 4.585 1.599 -8.205 515 HA SER 71 HA SER 71 5.145 1.856 -5.271 516 1HB SER 71 2HB SER 71 5.353 3.752 -7.615 517 2HB SER 71 1HB SER 71 5.383 4.324 -5.949 518 HG SER 71 HG SER 71 7.473 3.945 -6.381 519 H VAL 72 H VAL 72 3.028 1.365 -4.536 520 HA VAL 72 HA VAL 72 0.637 2.464 -5.783 521 HB VAL 72 HB VAL 72 1.202 1.146 -3.109 522 1HG1 VAL 72 1HG1 VAL 72 -0.922 1.660 -2.569 523 2HG1 VAL 72 2HG1 VAL 72 -1.459 0.692 -3.943 524 3HG1 VAL 72 3HG1 VAL 72 -1.179 2.423 -4.138 525 1HG2 VAL 72 1HG2 VAL 72 1.726 -0.339 -4.939 526 2HG2 VAL 72 2HG2 VAL 72 0.252 0.110 -5.797 527 3HG2 VAL 72 3HG2 VAL 72 0.154 -0.829 -4.307 528 H VAL 73 H VAL 73 -0.004 4.583 -5.552 529 HA VAL 73 HA VAL 73 0.602 5.950 -2.948 530 HB VAL 73 HB VAL 73 0.566 7.129 -5.742 531 1HG1 VAL 73 1HG1 VAL 73 0.601 9.133 -4.709 532 2HG1 VAL 73 2HG1 VAL 73 2.003 8.643 -3.758 533 3HG1 VAL 73 3HG1 VAL 73 0.377 8.312 -3.164 534 1HG2 VAL 73 1HG2 VAL 73 2.645 6.274 -5.931 535 2HG2 VAL 73 2HG2 VAL 73 2.600 5.669 -4.275 536 3HG2 VAL 73 3HG2 VAL 73 3.125 7.320 -4.596 537 H ALA 74 H ALA 74 -1.260 6.556 -1.936 538 HA ALA 74 HA ALA 74 -3.815 6.586 -3.429 539 1HB ALA 74 1HB ALA 74 -4.727 6.808 -1.124 540 2HB ALA 74 2HB ALA 74 -3.082 6.963 -0.507 541 3HB ALA 74 3HB ALA 74 -3.606 5.455 -1.255 542 H LEU 75 H LEU 75 -5.263 8.493 -3.234 543 HA LEU 75 HA LEU 75 -3.775 11.043 -2.728 544 1HB LEU 75 2HB LEU 75 -5.731 10.427 -4.958 545 2HB LEU 75 1HB LEU 75 -4.852 11.938 -4.734 546 HG LEU 75 HG LEU 75 -3.297 9.387 -4.899 547 1HD1 LEU 75 1HD1 LEU 75 -4.113 10.924 -7.368 548 2HD1 LEU 75 2HD1 LEU 75 -5.042 9.538 -6.801 549 3HD1 LEU 75 3HD1 LEU 75 -3.354 9.335 -7.270 550 1HD2 LEU 75 1HD2 LEU 75 -1.703 10.983 -6.018 551 2HD2 LEU 75 2HD2 LEU 75 -2.120 11.445 -4.367 552 3HD2 LEU 75 3HD2 LEU 75 -2.870 12.273 -5.732 553 H HIS 76 H HIS 76 -5.534 12.899 -2.840 554 HA HIS 76 HA HIS 76 -8.123 12.134 -1.632 555 1HB HIS 76 2HB HIS 76 -6.097 12.439 0.055 556 2HB HIS 76 1HB HIS 76 -6.412 14.154 -0.215 557 HD1 HIS 76 HD1 HIS 76 -9.058 11.440 -0.086 558 HD2 HIS 76 HD2 HIS 76 -7.777 14.710 2.161 559 HE1 HIS 76 HE1 HIS 76 -10.777 11.766 1.748 560 H ASP 77 H ASP 77 -8.634 14.867 -0.753 561 HA ASP 77 HA ASP 77 -9.683 16.092 -3.013 562 1HB ASP 77 2HB ASP 77 -9.406 16.646 -0.324 563 2HB ASP 77 1HB ASP 77 -8.482 17.949 -1.073 564 H ASP 78 H ASP 78 -6.373 16.167 -1.809 565 HA ASP 78 HA ASP 78 -5.164 16.747 -4.325 566 1HB ASP 78 2HB ASP 78 -6.543 18.908 -3.423 567 2HB ASP 78 1HB ASP 78 -4.988 19.199 -2.647 568 H MET 79 H MET 79 -4.261 14.924 -2.665 569 HA MET 79 HA MET 79 -2.002 16.185 -1.136 570 1HB MET 79 2HB MET 79 -3.581 13.667 -0.551 571 2HB MET 79 1HB MET 79 -2.297 14.337 0.454 572 1HG MET 79 2HG MET 79 -3.624 16.403 0.765 573 2HG MET 79 1HG MET 79 -4.914 15.711 -0.216 574 1HE MET 79 1HE MET 79 -3.716 14.824 4.069 575 2HE MET 79 2HE MET 79 -3.811 16.386 3.260 576 3HE MET 79 3HE MET 79 -2.595 15.216 2.756 577 H GLU 80 H GLU 80 -0.511 14.034 -0.539 578 HA GLU 80 HA GLU 80 -0.073 12.352 -2.944 579 1HB GLU 80 2HB GLU 80 1.501 14.722 -2.120 580 2HB GLU 80 1HB GLU 80 2.460 13.295 -2.511 581 1HG GLU 80 2HG GLU 80 1.474 13.138 -4.704 582 2HG GLU 80 1HG GLU 80 0.288 14.385 -4.316 583 H SER 81 H SER 81 -0.880 11.174 -0.726 584 HA SER 81 HA SER 81 0.693 10.661 1.492 585 1HB SER 81 2HB SER 81 -1.498 9.681 1.095 586 2HB SER 81 1HB SER 81 -0.876 8.740 -0.257 587 HG SER 81 HG SER 81 -0.984 8.015 2.240 588 H GLN 82 H GLN 82 2.537 9.434 1.946 589 HA GLN 82 HA GLN 82 4.643 9.138 0.206 590 1HB GLN 82 2HB GLN 82 3.774 8.089 2.779 591 2HB GLN 82 1HB GLN 82 4.796 6.933 1.925 592 1HG GLN 82 2HG GLN 82 6.039 8.601 3.391 593 2HG GLN 82 1HG GLN 82 6.575 8.530 1.711 594 1HE2 GLN 82 1HE2 GLN 82 4.042 10.288 3.603 595 2HE2 GLN 82 2HE2 GLN 82 4.314 11.784 2.847 596 HA PRO 83 HA PRO 83 3.359 5.995 -2.604 597 1HB PRO 83 2HB PRO 83 5.807 5.468 -3.699 598 2HB PRO 83 1HB PRO 83 4.868 6.926 -4.081 599 1HG PRO 83 2HG PRO 83 7.177 6.599 -2.230 600 2HG PRO 83 1HG PRO 83 6.781 7.940 -3.315 601 1HD PRO 83 2HD PRO 83 6.316 7.988 -0.616 602 2HD PRO 83 1HD PRO 83 5.372 8.926 -1.795 603 H LEU 84 H LEU 84 3.140 3.773 -2.408 604 HA LEU 84 HA LEU 84 4.854 2.389 -0.397 605 1HB LEU 84 2HB LEU 84 2.529 2.180 0.049 606 2HB LEU 84 1HB LEU 84 2.146 1.916 -1.653 607 HG LEU 84 HG LEU 84 3.346 -0.247 -1.583 608 1HD1 LEU 84 1HD1 LEU 84 4.134 0.826 1.044 609 2HD1 LEU 84 2HD1 LEU 84 4.938 -0.375 0.032 610 3HD1 LEU 84 3HD1 LEU 84 3.610 -0.857 1.089 611 1HD2 LEU 84 1HD2 LEU 84 1.719 -0.948 0.616 612 2HD2 LEU 84 2HD2 LEU 84 1.281 -1.016 -1.092 613 3HD2 LEU 84 3HD2 LEU 84 0.922 0.430 -0.145 614 H ILE 85 H ILE 85 6.572 1.314 -1.290 615 HA ILE 85 HA ILE 85 6.590 0.553 -4.121 616 HB ILE 85 HB ILE 85 8.480 0.430 -1.777 617 1HG1 ILE 85 2HG1 ILE 85 7.973 2.547 -3.170 618 2HG1 ILE 85 1HG1 ILE 85 9.670 2.109 -2.970 619 1HG2 ILE 85 1HG2 ILE 85 10.104 -0.267 -3.793 620 2HG2 ILE 85 2HG2 ILE 85 8.625 -1.025 -4.381 621 3HG2 ILE 85 3HG2 ILE 85 9.279 -1.473 -2.805 622 1HD1 ILE 85 1HD1 ILE 85 7.981 1.331 -5.367 623 2HD1 ILE 85 2HD1 ILE 85 9.714 1.067 -5.172 624 3HD1 ILE 85 3HD1 ILE 85 9.084 2.707 -5.334 625 H GLY 86 H GLY 86 6.851 -1.620 -4.877 626 1HA GLY 86 2HA GLY 86 6.597 -3.876 -3.028 627 2HA GLY 86 1HA GLY 86 5.169 -3.602 -4.031 628 H THR 87 H THR 87 8.560 -4.522 -4.077 629 HA THR 87 HA THR 87 8.653 -4.837 -6.992 630 HB THR 87 HB THR 87 10.594 -4.218 -5.552 631 HG1 THR 87 HG1 THR 87 11.593 -5.080 -7.164 632 1HG2 THR 87 1HG2 THR 87 11.258 -5.474 -3.785 633 2HG2 THR 87 2HG2 THR 87 11.036 -6.986 -4.666 634 3HG2 THR 87 3HG2 THR 87 9.656 -6.202 -3.898 635 H GLN 88 H GLN 88 9.169 -6.987 -7.959 636 HA GLN 88 HA GLN 88 8.740 -9.466 -6.598 637 1HB GLN 88 2HB GLN 88 6.454 -8.031 -6.700 638 2HB GLN 88 1HB GLN 88 6.342 -8.859 -8.254 639 1HG GLN 88 2HG GLN 88 7.052 -10.417 -5.783 640 2HG GLN 88 1HG GLN 88 5.364 -10.025 -6.120 641 1HE2 GLN 88 1HE2 GLN 88 6.771 -12.708 -6.249 642 2HE2 GLN 88 2HE2 GLN 88 6.503 -13.268 -7.829 643 H SER 89 H SER 89 9.313 -11.139 -7.996 644 HA SER 89 HA SER 89 10.286 -10.428 -10.649 645 1HB SER 89 2HB SER 89 10.468 -12.567 -8.702 646 2HB SER 89 1HB SER 89 10.219 -13.226 -10.316 647 HG SER 89 HG SER 89 12.469 -12.669 -9.544 648 H THR 90 H THR 90 8.976 -10.337 -12.429 649 HA THR 90 HA THR 90 6.276 -11.454 -12.392 650 HB THR 90 HB THR 90 7.570 -10.489 -14.893 651 HG1 THR 90 HG1 THR 90 6.994 -8.728 -12.757 652 1HG2 THR 90 1HG2 THR 90 5.072 -10.958 -14.431 653 2HG2 THR 90 2HG2 THR 90 5.486 -9.442 -15.232 654 3HG2 THR 90 3HG2 THR 90 5.103 -9.453 -13.511 655 H ALA 91 H ALA 91 5.748 -13.508 -13.061 656 HA ALA 91 HA ALA 91 7.574 -15.498 -13.838 657 1HB ALA 91 1HB ALA 91 5.559 -16.708 -14.537 658 2HB ALA 91 2HB ALA 91 4.664 -15.191 -14.634 659 3HB ALA 91 3HB ALA 91 5.218 -15.791 -13.070 660 H ILE 92 H ILE 92 7.261 -16.647 -16.161 661 HA ILE 92 HA ILE 92 7.433 -14.497 -18.233 662 HB ILE 92 HB ILE 92 9.314 -15.821 -19.191 663 1HG1 ILE 92 2HG1 ILE 92 8.419 -17.949 -17.929 664 2HG1 ILE 92 1HG1 ILE 92 10.154 -17.748 -18.147 665 1HG2 ILE 92 1HG2 ILE 92 9.874 -13.943 -17.791 666 2HG2 ILE 92 2HG2 ILE 92 10.930 -15.274 -17.316 667 3HG2 ILE 92 3HG2 ILE 92 9.532 -14.862 -16.324 668 1HD1 ILE 92 1HD1 ILE 92 10.507 -17.590 -15.917 669 2HD1 ILE 92 2HD1 ILE 92 8.852 -18.163 -15.719 670 3HD1 ILE 92 3HD1 ILE 92 9.191 -16.434 -15.716 671 HA PRO 93 HA PRO 93 5.299 -18.574 -19.770 672 1HB PRO 93 2HB PRO 93 2.744 -18.480 -18.825 673 2HB PRO 93 1HB PRO 93 4.042 -19.373 -18.012 674 1HG PRO 93 2HG PRO 93 2.928 -16.679 -17.388 675 2HG PRO 93 1HG PRO 93 3.399 -17.987 -16.288 676 1HD PRO 93 2HD PRO 93 4.975 -15.836 -16.741 677 2HD PRO 93 1HD PRO 93 5.629 -17.443 -16.378 678 H ALA 94 H ALA 94 5.748 -16.263 -21.040 679 HA ALA 94 HA ALA 94 3.146 -15.094 -21.904 680 1HB ALA 94 1HB ALA 94 5.880 -14.230 -22.814 681 2HB ALA 94 2HB ALA 94 5.340 -13.849 -21.183 682 3HB ALA 94 3HB ALA 94 4.437 -13.250 -22.569 Start of MODEL 3 1 1H ASN 1 1H ASN 1 -8.028 14.407 5.320 2 2H ASN 1 2H ASN 1 -6.918 13.986 6.536 3 3H ASN 1 3H ASN 1 -7.541 12.792 5.501 4 HA ASN 1 HA ASN 1 -6.467 14.447 3.697 5 1HB ASN 1 2HB ASN 1 -5.718 15.449 6.169 6 2HB ASN 1 1HB ASN 1 -4.310 14.500 5.692 7 1HD2 ASN 1 1HD2 ASN 1 -2.833 15.707 4.507 8 2HD2 ASN 1 2HD2 ASN 1 -3.227 16.994 3.472 9 H ILE 2 H ILE 2 -3.876 13.637 3.421 10 HA ILE 2 HA ILE 2 -4.064 10.857 2.798 11 HB ILE 2 HB ILE 2 -1.644 12.642 3.222 12 1HG1 ILE 2 2HG1 ILE 2 -3.351 13.571 1.642 13 2HG1 ILE 2 1HG1 ILE 2 -1.842 13.145 0.834 14 1HG2 ILE 2 1HG2 ILE 2 -1.979 9.882 2.404 15 2HG2 ILE 2 2HG2 ILE 2 -0.495 10.779 2.725 16 3HG2 ILE 2 3HG2 ILE 2 -1.231 10.835 1.123 17 1HD1 ILE 2 1HD1 ILE 2 -3.577 12.267 -0.546 18 2HD1 ILE 2 2HD1 ILE 2 -4.441 11.601 0.840 19 3HD1 ILE 2 3HD1 ILE 2 -2.915 10.884 0.324 20 H ASP 3 H ASP 3 -3.453 9.039 3.979 21 HA ASP 3 HA ASP 3 -2.410 9.504 6.743 22 1HB ASP 3 2HB ASP 3 -4.845 8.578 6.082 23 2HB ASP 3 1HB ASP 3 -3.952 7.059 6.023 24 H ARG 4 H ARG 4 -1.732 8.154 3.717 25 HA ARG 4 HA ARG 4 0.048 6.771 2.998 26 1HB ARG 4 2HB ARG 4 0.746 7.954 5.553 27 2HB ARG 4 1HB ARG 4 1.479 6.360 5.391 28 1HG ARG 4 2HG ARG 4 2.579 6.961 3.357 29 2HG ARG 4 1HG ARG 4 1.625 8.437 3.200 30 1HD ARG 4 2HD ARG 4 3.398 8.003 5.611 31 2HD ARG 4 1HD ARG 4 4.041 8.694 4.107 32 HE ARG 4 HE ARG 4 1.541 9.906 5.100 33 1HH1 ARG 4 1HH1 ARG 4 4.931 9.870 5.538 34 2HH1 ARG 4 2HH1 ARG 4 5.089 11.596 5.600 35 1HH2 ARG 4 1HH2 ARG 4 1.748 12.190 4.888 36 2HH2 ARG 4 2HH2 ARG 4 3.289 12.909 5.222 37 HA PRO 5 HA PRO 5 -1.855 2.930 4.306 38 1HB PRO 5 2HB PRO 5 -0.851 1.414 2.263 39 2HB PRO 5 1HB PRO 5 -2.251 2.489 2.073 40 1HG PRO 5 2HG PRO 5 0.585 2.922 1.280 41 2HG PRO 5 1HG PRO 5 -0.905 3.388 0.446 42 1HD PRO 5 2HD PRO 5 0.618 5.131 1.904 43 2HD PRO 5 1HD PRO 5 -1.130 5.323 1.648 44 H LYS 6 H LYS 6 -0.481 0.488 3.858 45 HA LYS 6 HA LYS 6 2.287 0.566 4.621 46 1HB LYS 6 2HB LYS 6 2.132 0.987 6.848 47 2HB LYS 6 1HB LYS 6 0.413 1.288 6.626 48 1HG LYS 6 2HG LYS 6 1.544 -1.495 7.051 49 2HG LYS 6 1HG LYS 6 1.003 -0.469 8.381 50 1HD LYS 6 2HD LYS 6 -1.017 -0.455 6.346 51 2HD LYS 6 1HD LYS 6 -0.589 -2.129 6.702 52 1HE LYS 6 2HE LYS 6 -0.700 -0.915 9.223 53 2HE LYS 6 1HE LYS 6 -2.087 -0.245 8.342 54 1HZ LYS 6 1HZ LYS 6 -2.778 -2.426 7.716 55 2HZ LYS 6 2HZ LYS 6 -2.547 -2.430 9.399 56 3HZ LYS 6 3HZ LYS 6 -1.383 -3.128 8.375 57 H GLY 7 H GLY 7 3.158 -1.535 4.622 58 1HA GLY 7 2HA GLY 7 3.233 -3.839 4.215 59 2HA GLY 7 1HA GLY 7 1.743 -3.937 5.152 60 H LEU 8 H LEU 8 3.056 -3.529 1.898 61 HA LEU 8 HA LEU 8 0.444 -3.479 0.596 62 1HB LEU 8 2HB LEU 8 1.863 -2.658 -0.983 63 2HB LEU 8 1HB LEU 8 3.254 -3.154 -0.027 64 HG LEU 8 HG LEU 8 2.878 -5.509 -1.007 65 1HD1 LEU 8 1HD1 LEU 8 1.129 -5.823 -2.389 66 2HD1 LEU 8 2HD1 LEU 8 1.712 -4.537 -3.446 67 3HD1 LEU 8 3HD1 LEU 8 0.630 -4.155 -2.107 68 1HD2 LEU 8 1HD2 LEU 8 4.165 -3.164 -2.056 69 2HD2 LEU 8 2HD2 LEU 8 3.574 -4.139 -3.402 70 3HD2 LEU 8 3HD2 LEU 8 4.662 -4.848 -2.209 71 H ALA 9 H ALA 9 -0.244 -5.297 -0.889 72 HA ALA 9 HA ALA 9 0.768 -7.979 -0.040 73 1HB ALA 9 1HB ALA 9 -2.018 -6.840 0.112 74 2HB ALA 9 2HB ALA 9 -1.104 -7.680 1.366 75 3HB ALA 9 3HB ALA 9 -1.762 -8.581 -0.001 76 H PHE 10 H PHE 10 0.354 -9.647 -1.608 77 HA PHE 10 HA PHE 10 -0.488 -8.632 -4.305 78 1HB PHE 10 2HB PHE 10 1.677 -10.585 -3.467 79 2HB PHE 10 1HB PHE 10 1.214 -10.293 -5.143 80 HD1 PHE 10 HD1 PHE 10 1.093 -7.694 -5.797 81 HD2 PHE 10 HD2 PHE 10 3.445 -9.344 -2.603 82 HE1 PHE 10 HE1 PHE 10 2.574 -5.705 -5.859 83 HE2 PHE 10 HE2 PHE 10 4.924 -7.355 -2.666 84 HZ PHE 10 HZ PHE 10 4.490 -5.537 -4.294 85 H THR 11 H THR 11 -2.063 -9.869 -5.310 86 HA THR 11 HA THR 11 -3.093 -12.233 -3.843 87 HB THR 11 HB THR 11 -4.093 -10.408 -6.034 88 HG1 THR 11 HG1 THR 11 -5.693 -10.041 -4.405 89 1HG2 THR 11 1HG2 THR 11 -5.119 -12.330 -6.762 90 2HG2 THR 11 2HG2 THR 11 -6.262 -11.858 -5.505 91 3HG2 THR 11 3HG2 THR 11 -5.048 -13.094 -5.174 92 H ASP 12 H ASP 12 -3.095 -11.588 -7.341 93 HA ASP 12 HA ASP 12 -1.819 -14.259 -7.759 94 1HB ASP 12 2HB ASP 12 -4.119 -12.820 -9.066 95 2HB ASP 12 1HB ASP 12 -3.257 -14.094 -9.928 96 H VAL 13 H VAL 13 -0.018 -14.252 -9.075 97 HA VAL 13 HA VAL 13 0.645 -11.694 -10.480 98 HB VAL 13 HB VAL 13 2.094 -12.426 -8.584 99 1HG1 VAL 13 1HG1 VAL 13 1.762 -14.959 -9.871 100 2HG1 VAL 13 2HG1 VAL 13 2.593 -14.606 -8.356 101 3HG1 VAL 13 3HG1 VAL 13 3.481 -14.560 -9.880 102 1HG2 VAL 13 1HG2 VAL 13 3.058 -11.135 -10.450 103 2HG2 VAL 13 2HG2 VAL 13 3.381 -12.633 -11.322 104 3HG2 VAL 13 3HG2 VAL 13 4.229 -12.290 -9.816 105 H ASP 14 H ASP 14 1.780 -11.959 -12.565 106 HA ASP 14 HA ASP 14 1.771 -14.600 -13.854 107 1HB ASP 14 2HB ASP 14 -0.611 -13.492 -13.828 108 2HB ASP 14 1HB ASP 14 0.056 -12.465 -15.099 109 H VAL 15 H VAL 15 3.146 -14.597 -15.655 110 HA VAL 15 HA VAL 15 5.200 -12.769 -15.938 111 HB VAL 15 HB VAL 15 5.233 -14.907 -17.010 112 1HG1 VAL 15 1HG1 VAL 15 2.535 -14.216 -17.666 113 2HG1 VAL 15 2HG1 VAL 15 3.340 -15.773 -17.864 114 3HG1 VAL 15 3HG1 VAL 15 3.386 -14.584 -19.167 115 1HG2 VAL 15 1HG2 VAL 15 6.134 -14.307 -19.054 116 2HG2 VAL 15 2HG2 VAL 15 6.130 -12.754 -18.226 117 3HG2 VAL 15 3HG2 VAL 15 4.863 -13.134 -19.388 118 H ASP 16 H ASP 16 1.927 -12.515 -17.188 119 HA ASP 16 HA ASP 16 2.569 -9.764 -18.193 120 1HB ASP 16 2HB ASP 16 1.267 -12.115 -19.546 121 2HB ASP 16 1HB ASP 16 0.796 -10.481 -20.013 122 H SER 17 H SER 17 1.298 -10.741 -15.685 123 HA SER 17 HA SER 17 -1.011 -8.996 -15.658 124 1HB SER 17 2HB SER 17 -2.436 -10.513 -16.554 125 2HB SER 17 1HB SER 17 -1.277 -11.826 -16.363 126 HG SER 17 HG SER 17 -1.991 -12.162 -14.326 127 H ILE 18 H ILE 18 -0.712 -8.169 -13.622 128 HA ILE 18 HA ILE 18 -0.237 -10.114 -11.390 129 HB ILE 18 HB ILE 18 1.026 -7.380 -11.769 130 1HG1 ILE 18 2HG1 ILE 18 2.301 -10.118 -12.084 131 2HG1 ILE 18 1HG1 ILE 18 1.748 -9.135 -13.441 132 1HG2 ILE 18 1HG2 ILE 18 1.889 -9.586 -9.894 133 2HG2 ILE 18 2HG2 ILE 18 0.684 -8.392 -9.412 134 3HG2 ILE 18 3HG2 ILE 18 2.315 -7.876 -9.842 135 1HD1 ILE 18 1HD1 ILE 18 4.136 -8.818 -11.746 136 2HD1 ILE 18 2HD1 ILE 18 3.245 -7.324 -12.028 137 3HD1 ILE 18 3HD1 ILE 18 3.846 -8.262 -13.394 138 H LYS 19 H LYS 19 -2.120 -9.985 -10.200 139 HA LYS 19 HA LYS 19 -3.551 -7.405 -9.957 140 1HB LYS 19 2HB LYS 19 -4.823 -9.423 -10.436 141 2HB LYS 19 1HB LYS 19 -4.089 -10.254 -9.064 142 1HG LYS 19 2HG LYS 19 -5.080 -8.101 -7.783 143 2HG LYS 19 1HG LYS 19 -6.242 -8.207 -9.106 144 1HD LYS 19 2HD LYS 19 -6.134 -10.807 -8.434 145 2HD LYS 19 1HD LYS 19 -5.748 -10.094 -6.866 146 1HE LYS 19 2HE LYS 19 -7.794 -8.555 -7.256 147 2HE LYS 19 1HE LYS 19 -8.245 -9.708 -8.527 148 1HZ LYS 19 1HZ LYS 19 -8.129 -11.500 -6.959 149 2HZ LYS 19 2HZ LYS 19 -9.156 -10.305 -6.325 150 3HZ LYS 19 3HZ LYS 19 -7.570 -10.468 -5.737 151 H ILE 20 H ILE 20 -2.397 -6.137 -8.496 152 HA ILE 20 HA ILE 20 -1.466 -7.398 -5.960 153 HB ILE 20 HB ILE 20 0.025 -5.527 -5.862 154 1HG1 ILE 20 2HG1 ILE 20 -1.776 -4.292 -7.977 155 2HG1 ILE 20 1HG1 ILE 20 -1.593 -3.748 -6.309 156 1HG2 ILE 20 1HG2 ILE 20 0.244 -7.280 -7.800 157 2HG2 ILE 20 2HG2 ILE 20 1.235 -5.822 -7.858 158 3HG2 ILE 20 3HG2 ILE 20 -0.225 -5.934 -8.840 159 1HD1 ILE 20 1HD1 ILE 20 -0.217 -2.623 -8.307 160 2HD1 ILE 20 2HD1 ILE 20 0.882 -3.960 -7.964 161 3HD1 ILE 20 3HD1 ILE 20 0.474 -2.806 -6.695 162 H ALA 21 H ALA 21 -1.827 -6.172 -3.936 163 HA ALA 21 HA ALA 21 -4.202 -4.364 -3.976 164 1HB ALA 21 1HB ALA 21 -4.925 -6.694 -3.590 165 2HB ALA 21 2HB ALA 21 -5.168 -5.715 -2.144 166 3HB ALA 21 3HB ALA 21 -3.795 -6.818 -2.242 167 H TRP 22 H TRP 22 -3.824 -2.608 -2.674 168 HA TRP 22 HA TRP 22 -1.495 -2.719 -0.803 169 1HB TRP 22 2HB TRP 22 -1.719 -0.217 -0.974 170 2HB TRP 22 1HB TRP 22 -1.432 -1.007 -2.525 171 HD1 TRP 22 HD1 TRP 22 -4.105 0.816 -0.523 172 HE1 TRP 22 HE1 TRP 22 -6.069 1.404 -2.091 173 HE3 TRP 22 HE3 TRP 22 -2.687 -1.739 -4.712 174 HZ2 TRP 22 HZ2 TRP 22 -6.919 0.859 -4.765 175 HZ3 TRP 22 HZ3 TRP 22 -4.093 -1.686 -6.756 176 HH2 TRP 22 HH2 TRP 22 -6.208 -0.390 -6.783 177 H GLU 23 H GLU 23 -1.774 -2.190 1.392 178 HA GLU 23 HA GLU 23 -4.042 -2.852 2.812 179 1HB GLU 23 2HB GLU 23 -1.583 -1.856 3.372 180 2HB GLU 23 1HB GLU 23 -2.576 -0.451 3.763 181 1HG GLU 23 2HG GLU 23 -3.461 -3.126 4.767 182 2HG GLU 23 1HG GLU 23 -2.107 -2.337 5.577 183 H SER 24 H SER 24 -6.104 -2.063 2.769 184 HA SER 24 HA SER 24 -7.139 0.015 1.286 185 1HB SER 24 2HB SER 24 -8.865 0.098 3.218 186 2HB SER 24 1HB SER 24 -8.609 -1.451 2.418 187 HG SER 24 HG SER 24 -8.347 -1.981 4.482 188 HA PRO 25 HA PRO 25 -5.781 3.778 3.057 189 1HB PRO 25 2HB PRO 25 -7.962 5.388 2.695 190 2HB PRO 25 1HB PRO 25 -6.909 4.871 1.362 191 1HG PRO 25 2HG PRO 25 -9.576 3.836 2.175 192 2HG PRO 25 1HG PRO 25 -8.890 4.045 0.557 193 1HD PRO 25 2HD PRO 25 -9.044 1.631 1.860 194 2HD PRO 25 1HD PRO 25 -7.853 2.007 0.594 195 H GLN 26 H GLN 26 -6.768 5.617 4.652 196 HA GLN 26 HA GLN 26 -8.012 4.130 6.934 197 1HB GLN 26 2HB GLN 26 -6.025 6.387 6.696 198 2HB GLN 26 1HB GLN 26 -6.851 6.050 8.218 199 1HG GLN 26 2HG GLN 26 -6.040 3.546 7.558 200 2HG GLN 26 1HG GLN 26 -4.745 4.493 6.827 201 1HE2 GLN 26 1HE2 GLN 26 -6.636 5.011 9.857 202 2HE2 GLN 26 2HE2 GLN 26 -5.272 5.099 10.864 203 H GLY 27 H GLY 27 -7.791 7.442 5.608 204 1HA GLY 27 2HA GLY 27 -10.458 8.031 6.770 205 2HA GLY 27 1HA GLY 27 -9.333 9.229 6.128 206 H GLN 28 H GLN 28 -9.698 9.946 4.075 207 HA GLN 28 HA GLN 28 -11.368 8.245 2.260 208 1HB GLN 28 2HB GLN 28 -12.405 10.287 3.633 209 2HB GLN 28 1HB GLN 28 -11.692 11.218 2.314 210 1HG GLN 28 2HG GLN 28 -13.543 10.718 1.123 211 2HG GLN 28 1HG GLN 28 -12.914 9.071 1.027 212 1HE2 GLN 28 1HE2 GLN 28 -14.167 7.460 2.014 213 2HE2 GLN 28 2HE2 GLN 28 -15.440 7.758 3.097 214 H VAL 29 H VAL 29 -9.992 7.822 0.562 215 HA VAL 29 HA VAL 29 -7.974 9.837 -0.240 216 HB VAL 29 HB VAL 29 -8.394 6.933 -0.371 217 1HG1 VAL 29 1HG1 VAL 29 -8.679 7.139 -2.736 218 2HG1 VAL 29 2HG1 VAL 29 -6.983 6.720 -2.503 219 3HG1 VAL 29 3HG1 VAL 29 -7.438 8.387 -2.851 220 1HG2 VAL 29 1HG2 VAL 29 -6.543 8.389 0.725 221 2HG2 VAL 29 2HG2 VAL 29 -5.835 8.438 -0.889 222 3HG2 VAL 29 3HG2 VAL 29 -6.060 6.893 -0.070 223 H SER 30 H SER 30 -8.316 11.193 -1.959 224 HA SER 30 HA SER 30 -10.825 11.165 -3.419 225 1HB SER 30 2HB SER 30 -9.654 13.218 -2.842 226 2HB SER 30 1HB SER 30 -8.218 12.690 -3.713 227 HG SER 30 HG SER 30 -10.791 13.240 -4.792 228 H ARG 31 H ARG 31 -7.617 9.869 -3.991 229 HA ARG 31 HA ARG 31 -8.544 8.375 -6.317 230 1HB ARG 31 2HB ARG 31 -8.131 10.810 -7.043 231 2HB ARG 31 1HB ARG 31 -6.420 10.464 -6.793 232 1HG ARG 31 2HG ARG 31 -6.589 8.554 -8.369 233 2HG ARG 31 1HG ARG 31 -8.285 8.955 -8.648 234 1HD ARG 31 2HD ARG 31 -6.110 11.017 -9.076 235 2HD ARG 31 1HD ARG 31 -6.580 9.883 -10.359 236 HE ARG 31 HE ARG 31 -8.490 11.772 -9.033 237 1HH1 ARG 31 1HH1 ARG 31 -7.086 11.549 -11.940 238 2HH1 ARG 31 2HH1 ARG 31 -8.515 11.248 -12.871 239 1HH2 ARG 31 1HH2 ARG 31 -10.508 10.622 -10.103 240 2HH2 ARG 31 2HH2 ARG 31 -10.453 10.727 -11.831 241 H TYR 32 H TYR 32 -7.037 6.733 -6.891 242 HA TYR 32 HA TYR 32 -4.644 6.528 -5.090 243 1HB TYR 32 2HB TYR 32 -6.900 4.884 -5.451 244 2HB TYR 32 1HB TYR 32 -5.581 4.047 -6.268 245 HD1 TYR 32 HD1 TYR 32 -3.260 4.110 -4.904 246 HD2 TYR 32 HD2 TYR 32 -7.176 4.487 -3.180 247 HE1 TYR 32 HE1 TYR 32 -2.364 3.382 -2.710 248 HE2 TYR 32 HE2 TYR 32 -6.279 3.760 -0.985 249 HH TYR 32 HH TYR 32 -3.158 3.789 -0.173 250 H ARG 33 H ARG 33 -3.034 7.319 -6.496 251 HA ARG 33 HA ARG 33 -2.943 6.642 -9.318 252 1HB ARG 33 2HB ARG 33 -2.029 8.685 -8.082 253 2HB ARG 33 1HB ARG 33 -0.709 7.645 -7.548 254 1HG ARG 33 2HG ARG 33 0.180 7.441 -9.671 255 2HG ARG 33 1HG ARG 33 -1.381 7.680 -10.459 256 1HD ARG 33 2HD ARG 33 -0.577 9.787 -10.876 257 2HD ARG 33 1HD ARG 33 -1.027 10.097 -9.187 258 HE ARG 33 HE ARG 33 1.535 8.836 -9.238 259 1HH1 ARG 33 1HH2 ARG 33 0.936 11.279 -7.640 260 2HH1 ARG 33 2HH2 ARG 33 1.900 12.482 -8.433 261 1HH2 ARG 33 1HH1 ARG 33 2.358 10.600 -11.309 262 2HH2 ARG 33 2HH1 ARG 33 2.695 12.102 -10.514 263 H VAL 34 H VAL 34 -2.034 4.857 -10.239 264 HA VAL 34 HA VAL 34 -0.511 2.981 -8.472 265 HB VAL 34 HB VAL 34 -2.027 2.626 -11.079 266 1HG1 VAL 34 1HG1 VAL 34 -1.507 0.182 -9.668 267 2HG1 VAL 34 2HG1 VAL 34 0.019 1.025 -9.928 268 3HG1 VAL 34 3HG1 VAL 34 -1.016 0.632 -11.300 269 1HG2 VAL 34 1HG2 VAL 34 -2.627 1.827 -8.214 270 2HG2 VAL 34 2HG2 VAL 34 -3.569 1.302 -9.609 271 3HG2 VAL 34 3HG2 VAL 34 -3.507 3.011 -9.179 272 H THR 35 H THR 35 1.597 3.929 -8.739 273 HA THR 35 HA THR 35 2.628 4.182 -11.528 274 HB THR 35 HB THR 35 4.582 5.057 -9.799 275 HG1 THR 35 HG1 THR 35 3.714 5.576 -7.969 276 1HG2 THR 35 1HG2 THR 35 2.916 6.120 -11.723 277 2HG2 THR 35 2HG2 THR 35 4.164 7.013 -10.854 278 3HG2 THR 35 3HG2 THR 35 2.494 7.056 -10.288 279 H TYR 36 H TYR 36 4.309 2.884 -12.269 280 HA TYR 36 HA TYR 36 5.545 0.967 -10.344 281 1HB TYR 36 2HB TYR 36 5.267 -0.529 -12.656 282 2HB TYR 36 1HB TYR 36 4.199 -0.636 -11.261 283 HD1 TYR 36 HD1 TYR 36 2.062 0.667 -11.219 284 HD2 TYR 36 HD2 TYR 36 4.540 0.465 -14.723 285 HE1 TYR 36 HE1 TYR 36 0.167 1.468 -12.604 286 HE2 TYR 36 HE2 TYR 36 2.641 1.267 -16.108 287 HH TYR 36 HH TYR 36 0.463 2.726 -15.563 288 H SER 37 H SER 37 7.724 0.695 -10.667 289 HA SER 37 HA SER 37 8.907 2.054 -13.065 290 1HB SER 37 2HB SER 37 10.404 2.966 -11.617 291 2HB SER 37 1HB SER 37 9.237 2.511 -10.379 292 HG SER 37 HG SER 37 11.715 1.610 -10.741 293 H SER 38 H SER 38 10.975 1.074 -13.852 294 HA SER 38 HA SER 38 11.588 -1.698 -13.139 295 1HB SER 38 2HB SER 38 9.492 -1.192 -14.905 296 2HB SER 38 1HB SER 38 10.849 -1.576 -15.960 297 HG SER 38 HG SER 38 11.066 -3.526 -14.959 298 HA PRO 39 HA PRO 39 15.339 -0.231 -14.943 299 1HB PRO 39 2HB PRO 39 16.717 -2.588 -14.954 300 2HB PRO 39 1HB PRO 39 16.424 -1.648 -13.478 301 1HG PRO 39 2HG PRO 39 15.072 -4.105 -14.454 302 2HG PRO 39 1HG PRO 39 15.433 -3.594 -12.798 303 1HD PRO 39 2HD PRO 39 12.949 -3.399 -14.003 304 2HD PRO 39 1HD PRO 39 13.478 -2.442 -12.602 305 H GLU 40 H GLU 40 13.416 -0.497 -16.897 306 HA GLU 40 HA GLU 40 14.970 -1.463 -19.184 307 1HB GLU 40 2HB GLU 40 13.107 -3.158 -17.794 308 2HB GLU 40 1HB GLU 40 12.480 -2.822 -19.409 309 1HG GLU 40 2HG GLU 40 14.506 -3.612 -20.444 310 2HG GLU 40 1HG GLU 40 15.320 -3.732 -18.883 311 H ASP 41 H ASP 41 11.523 -0.933 -18.362 312 HA ASP 41 HA ASP 41 11.246 0.795 -20.763 313 1HB ASP 41 2HB ASP 41 9.710 -1.163 -19.596 314 2HB ASP 41 1HB ASP 41 8.944 0.305 -18.985 315 H GLY 42 H GLY 42 11.583 1.028 -17.324 316 1HA GLY 42 2HA GLY 42 12.124 3.190 -16.318 317 2HA GLY 42 1HA GLY 42 11.078 3.957 -17.515 318 H ILE 43 H ILE 43 9.696 4.974 -16.006 319 HA ILE 43 HA ILE 43 8.076 3.100 -14.318 320 HB ILE 43 HB ILE 43 9.669 4.762 -13.204 321 1HG1 ILE 43 2HG1 ILE 43 6.789 5.308 -12.490 322 2HG1 ILE 43 1HG1 ILE 43 7.489 3.708 -12.248 323 1HG2 ILE 43 1HG2 ILE 43 8.945 6.564 -14.937 324 2HG2 ILE 43 2HG2 ILE 43 9.180 7.063 -13.261 325 3HG2 ILE 43 3HG2 ILE 43 7.551 6.795 -13.881 326 1HD1 ILE 43 1HD1 ILE 43 8.298 6.316 -10.970 327 2HD1 ILE 43 2HD1 ILE 43 9.406 4.945 -11.026 328 3HD1 ILE 43 3HD1 ILE 43 7.862 4.797 -10.186 329 H HIS 44 H HIS 44 5.821 3.581 -14.152 330 HA HIS 44 HA HIS 44 4.760 5.551 -16.137 331 1HB HIS 44 2HB HIS 44 4.182 2.615 -15.762 332 2HB HIS 44 1HB HIS 44 3.032 3.677 -16.571 333 HD1 HIS 44 HD1 HIS 44 6.633 2.505 -16.866 334 HD2 HIS 44 HD2 HIS 44 3.679 4.273 -19.216 335 HE1 HIS 44 HE1 HIS 44 7.543 2.572 -19.230 336 H GLU 45 H GLU 45 2.171 5.549 -15.714 337 HA GLU 45 HA GLU 45 1.582 5.312 -12.813 338 1HB GLU 45 2HB GLU 45 2.543 7.520 -13.087 339 2HB GLU 45 1HB GLU 45 1.507 7.839 -14.478 340 1HG GLU 45 2HG GLU 45 -0.346 7.173 -12.585 341 2HG GLU 45 1HG GLU 45 0.881 7.970 -11.601 342 H LEU 46 H LEU 46 -0.468 4.524 -12.582 343 HA LEU 46 HA LEU 46 -2.276 4.527 -14.942 344 1HB LEU 46 2HB LEU 46 -1.531 2.656 -13.030 345 2HB LEU 46 1HB LEU 46 -3.124 3.172 -12.481 346 HG LEU 46 HG LEU 46 -4.117 2.618 -14.615 347 1HD1 LEU 46 1HD1 LEU 46 -1.905 1.339 -15.939 348 2HD1 LEU 46 2HD1 LEU 46 -1.474 3.008 -15.575 349 3HD1 LEU 46 3HD1 LEU 46 -2.919 2.659 -16.521 350 1HD2 LEU 46 1HD2 LEU 46 -2.230 0.328 -14.081 351 2HD2 LEU 46 2HD2 LEU 46 -3.937 0.268 -14.523 352 3HD2 LEU 46 3HD2 LEU 46 -3.464 0.775 -12.901 353 H PHE 47 H PHE 47 -4.052 5.825 -14.994 354 HA PHE 47 HA PHE 47 -4.569 7.600 -12.687 355 1HB PHE 47 2HB PHE 47 -4.520 7.806 -15.483 356 2HB PHE 47 1HB PHE 47 -6.212 8.005 -15.032 357 HD1 PHE 47 HD1 PHE 47 -6.527 10.340 -15.320 358 HD2 PHE 47 HD2 PHE 47 -3.218 8.889 -12.996 359 HE1 PHE 47 HE1 PHE 47 -6.055 12.648 -14.549 360 HE2 PHE 47 HE2 PHE 47 -2.747 11.199 -12.225 361 HZ PHE 47 HZ PHE 47 -4.165 13.079 -13.004 362 HA PRO 48 HA PRO 48 -8.802 5.406 -13.390 363 1HB PRO 48 2HB PRO 48 -8.675 2.724 -13.909 364 2HB PRO 48 1HB PRO 48 -8.799 3.953 -15.182 365 1HG PRO 48 2HG PRO 48 -6.425 2.442 -14.237 366 2HG PRO 48 1HG PRO 48 -6.855 2.966 -15.872 367 1HD PRO 48 2HD PRO 48 -5.007 4.222 -14.287 368 2HD PRO 48 1HD PRO 48 -5.897 5.025 -15.598 369 H ALA 49 H ALA 49 -8.934 5.664 -11.181 370 HA ALA 49 HA ALA 49 -7.669 3.639 -9.410 371 1HB ALA 49 1HB ALA 49 -8.640 6.446 -9.264 372 2HB ALA 49 2HB ALA 49 -7.191 5.722 -8.565 373 3HB ALA 49 3HB ALA 49 -8.755 5.495 -7.785 374 HA PRO 50 HA PRO 50 -11.481 1.781 -8.300 375 1HB PRO 50 2HB PRO 50 -11.329 1.592 -5.581 376 2HB PRO 50 1HB PRO 50 -10.350 0.597 -6.675 377 1HG PRO 50 2HG PRO 50 -9.584 3.015 -5.125 378 2HG PRO 50 1HG PRO 50 -8.638 1.568 -5.502 379 1HD PRO 50 2HD PRO 50 -8.372 3.968 -6.806 380 2HD PRO 50 1HD PRO 50 -7.936 2.396 -7.506 381 H ASP 51 H ASP 51 -13.170 2.081 -6.168 382 HA ASP 51 HA ASP 51 -13.959 4.971 -6.306 383 1HB ASP 51 2HB ASP 51 -15.393 3.509 -7.618 384 2HB ASP 51 1HB ASP 51 -15.576 2.410 -6.250 385 H GLY 52 H GLY 52 -14.254 2.000 -4.323 386 1HA GLY 52 2HA GLY 52 -13.539 3.327 -1.881 387 2HA GLY 52 1HA GLY 52 -15.295 3.188 -1.983 388 H GLU 53 H GLU 53 -15.327 0.684 -3.412 389 HA GLU 53 HA GLU 53 -14.682 -1.120 -1.152 390 1HB GLU 53 2HB GLU 53 -16.739 -0.821 -3.136 391 2HB GLU 53 1HB GLU 53 -16.027 -2.428 -3.283 392 1HG GLU 53 2HG GLU 53 -17.211 -3.080 -1.485 393 2HG GLU 53 1HG GLU 53 -16.305 -1.923 -0.509 394 H GLU 54 H GLU 54 -12.933 -0.018 -3.616 395 HA GLU 54 HA GLU 54 -11.734 -2.697 -4.250 396 1HB GLU 54 2HB GLU 54 -12.194 -0.206 -5.900 397 2HB GLU 54 1HB GLU 54 -11.053 -1.455 -6.402 398 1HG GLU 54 2HG GLU 54 -13.162 -3.026 -5.848 399 2HG GLU 54 1HG GLU 54 -14.028 -1.547 -6.268 400 H ASP 55 H ASP 55 -9.759 -2.857 -3.281 401 HA ASP 55 HA ASP 55 -8.106 -0.366 -3.011 402 1HB ASP 55 2HB ASP 55 -8.133 -2.844 -1.257 403 2HB ASP 55 1HB ASP 55 -7.295 -1.326 -0.927 404 H THR 56 H THR 56 -8.310 -2.734 -5.066 405 HA THR 56 HA THR 56 -5.377 -3.382 -5.033 406 HB THR 56 HB THR 56 -6.007 -5.582 -5.898 407 HG1 THR 56 HG1 THR 56 -8.609 -4.465 -5.840 408 1HG2 THR 56 1HG2 THR 56 -6.293 -4.828 -3.364 409 2HG2 THR 56 2HG2 THR 56 -6.766 -6.442 -3.895 410 3HG2 THR 56 3HG2 THR 56 -7.987 -5.184 -3.698 411 H ALA 57 H ALA 57 -4.693 -4.102 -7.368 412 HA ALA 57 HA ALA 57 -6.200 -2.602 -9.463 413 1HB ALA 57 1HB ALA 57 -4.589 -1.028 -8.659 414 2HB ALA 57 2HB ALA 57 -3.915 -1.677 -10.156 415 3HB ALA 57 3HB ALA 57 -3.324 -2.255 -8.597 416 H GLU 58 H GLU 58 -5.684 -3.310 -11.637 417 HA GLU 58 HA GLU 58 -4.424 -6.032 -11.751 418 1HB GLU 58 2HB GLU 58 -6.724 -4.652 -13.081 419 2HB GLU 58 1HB GLU 58 -5.883 -5.919 -13.974 420 1HG GLU 58 2HG GLU 58 -6.274 -6.859 -11.309 421 2HG GLU 58 1HG GLU 58 -7.813 -6.214 -11.881 422 H LEU 59 H LEU 59 -2.261 -5.288 -12.158 423 HA LEU 59 HA LEU 59 -1.766 -3.474 -14.426 424 1HB LEU 59 2HB LEU 59 -0.232 -4.793 -12.222 425 2HB LEU 59 1HB LEU 59 0.665 -4.282 -13.652 426 HG LEU 59 HG LEU 59 -1.221 -2.466 -12.132 427 1HD1 LEU 59 1HD1 LEU 59 1.640 -1.886 -11.953 428 2HD1 LEU 59 2HD1 LEU 59 1.222 -3.431 -11.213 429 3HD1 LEU 59 3HD1 LEU 59 0.429 -1.951 -10.674 430 1HD2 LEU 59 1HD2 LEU 59 -0.137 -0.711 -13.428 431 2HD2 LEU 59 2HD2 LEU 59 -0.726 -1.946 -14.538 432 3HD2 LEU 59 3HD2 LEU 59 0.986 -1.873 -14.127 433 H GLN 60 H GLN 60 -2.762 -4.936 -16.016 434 HA GLN 60 HA GLN 60 -1.255 -7.433 -16.559 435 1HB GLN 60 2HB GLN 60 -3.749 -6.407 -17.912 436 2HB GLN 60 1HB GLN 60 -3.213 -8.076 -17.746 437 1HG GLN 60 2HG GLN 60 -3.614 -8.015 -15.332 438 2HG GLN 60 1HG GLN 60 -4.032 -6.301 -15.418 439 1HE2 GLN 60 1HE2 GLN 60 -6.169 -5.748 -16.086 440 2HE2 GLN 60 2HE2 GLN 60 -7.350 -6.902 -16.484 441 H GLY 61 H GLY 61 0.064 -7.619 -18.338 442 1HA GLY 61 2HA GLY 61 0.616 -7.095 -20.671 443 2HA GLY 61 1HA GLY 61 -0.066 -5.485 -20.422 444 H LEU 62 H LEU 62 2.378 -7.476 -18.709 445 HA LEU 62 HA LEU 62 4.140 -5.043 -18.668 446 1HB LEU 62 2HB LEU 62 4.364 -7.426 -16.835 447 2HB LEU 62 1HB LEU 62 4.850 -5.758 -16.535 448 HG LEU 62 HG LEU 62 2.005 -6.794 -16.741 449 1HD1 LEU 62 1HD1 LEU 62 2.067 -5.733 -14.343 450 2HD1 LEU 62 2HD1 LEU 62 3.811 -5.948 -14.491 451 3HD1 LEU 62 3HD1 LEU 62 2.738 -7.345 -14.590 452 1HD2 LEU 62 1HD2 LEU 62 2.893 -3.990 -16.026 453 2HD2 LEU 62 2HD2 LEU 62 1.269 -4.549 -16.433 454 3HD2 LEU 62 3HD2 LEU 62 2.507 -4.450 -17.686 455 H ARG 63 H ARG 63 6.504 -6.336 -17.899 456 HA ARG 63 HA ARG 63 7.420 -7.434 -20.450 457 1HB ARG 63 2HB ARG 63 8.618 -6.805 -17.754 458 2HB ARG 63 1HB ARG 63 9.571 -7.584 -19.018 459 1HG ARG 63 2HG ARG 63 8.161 -4.906 -19.215 460 2HG ARG 63 1HG ARG 63 9.904 -5.174 -19.159 461 1HD ARG 63 2HD ARG 63 9.660 -6.554 -21.286 462 2HD ARG 63 1HD ARG 63 7.994 -5.951 -21.384 463 HE ARG 63 HE ARG 63 9.993 -3.851 -20.959 464 1HH1 ARG 63 1HH2 ARG 63 8.827 -5.983 -23.365 465 2HH1 ARG 63 2HH2 ARG 63 8.689 -4.764 -24.589 466 1HH2 ARG 63 1HH1 ARG 63 9.551 -2.160 -22.468 467 2HH2 ARG 63 2HH1 ARG 63 9.105 -2.603 -24.082 468 HA PRO 64 HA PRO 64 7.040 -11.642 -19.330 469 1HB PRO 64 2HB PRO 64 8.831 -12.753 -21.051 470 2HB PRO 64 1HB PRO 64 7.276 -12.079 -21.574 471 1HG PRO 64 2HG PRO 64 9.995 -10.978 -21.870 472 2HG PRO 64 1HG PRO 64 8.551 -10.706 -22.854 473 1HD PRO 64 2HD PRO 64 9.612 -8.971 -20.886 474 2HD PRO 64 1HD PRO 64 8.047 -8.816 -21.713 475 H GLY 65 H GLY 65 7.913 -11.736 -17.179 476 1HA GLY 65 2HA GLY 65 9.399 -12.725 -15.635 477 2HA GLY 65 1HA GLY 65 10.467 -13.126 -16.981 478 H SER 66 H SER 66 9.380 -10.366 -15.018 479 HA SER 66 HA SER 66 12.176 -9.360 -14.985 480 1HB SER 66 2HB SER 66 10.096 -8.404 -16.700 481 2HB SER 66 1HB SER 66 10.463 -7.145 -15.524 482 HG SER 66 HG SER 66 12.579 -7.185 -16.167 483 H GLU 67 H GLU 67 12.612 -8.638 -12.925 484 HA GLU 67 HA GLU 67 10.735 -8.639 -10.795 485 1HB GLU 67 2HB GLU 67 13.318 -8.649 -10.821 486 2HB GLU 67 1HB GLU 67 13.204 -6.895 -10.980 487 1HG GLU 67 2HG GLU 67 13.190 -6.949 -8.698 488 2HG GLU 67 1HG GLU 67 11.478 -7.307 -8.926 489 H TYR 68 H TYR 68 8.877 -7.447 -11.670 490 HA TYR 68 HA TYR 68 9.055 -4.696 -12.526 491 1HB TYR 68 2HB TYR 68 7.276 -6.622 -12.835 492 2HB TYR 68 1HB TYR 68 6.591 -5.944 -11.359 493 HD1 TYR 68 HD1 TYR 68 4.911 -4.377 -11.677 494 HD2 TYR 68 HD2 TYR 68 8.097 -4.634 -14.545 495 HE1 TYR 68 HE1 TYR 68 3.871 -2.553 -12.996 496 HE2 TYR 68 HE2 TYR 68 7.057 -2.809 -15.865 497 HH TYR 68 HH TYR 68 3.918 -1.804 -15.452 498 H THR 69 H THR 69 9.483 -2.989 -11.196 499 HA THR 69 HA THR 69 8.967 -3.206 -8.280 500 HB THR 69 HB THR 69 10.384 -1.193 -10.050 501 HG1 THR 69 HG1 THR 69 11.145 -3.345 -8.417 502 1HG2 THR 69 1HG2 THR 69 10.091 -1.303 -7.037 503 2HG2 THR 69 2HG2 THR 69 9.493 -0.035 -8.107 504 3HG2 THR 69 3HG2 THR 69 11.230 -0.259 -7.888 505 H VAL 70 H VAL 70 6.915 -2.579 -7.650 506 HA VAL 70 HA VAL 70 5.550 -0.473 -9.257 507 HB VAL 70 HB VAL 70 4.463 -2.453 -7.250 508 1HG1 VAL 70 1HG1 VAL 70 3.053 -0.871 -9.417 509 2HG1 VAL 70 2HG1 VAL 70 3.108 -0.377 -7.725 510 3HG1 VAL 70 3HG1 VAL 70 2.305 -1.880 -8.180 511 1HG2 VAL 70 1HG2 VAL 70 3.808 -3.784 -9.185 512 2HG2 VAL 70 2HG2 VAL 70 5.547 -3.505 -9.250 513 3HG2 VAL 70 3HG2 VAL 70 4.464 -2.570 -10.282 514 H SER 71 H SER 71 4.719 1.370 -8.280 515 HA SER 71 HA SER 71 5.379 1.781 -5.385 516 1HB SER 71 2HB SER 71 5.701 4.191 -6.154 517 2HB SER 71 1HB SER 71 6.900 3.049 -6.752 518 HG SER 71 HG SER 71 6.231 4.132 -8.528 519 H VAL 72 H VAL 72 3.402 1.759 -4.352 520 HA VAL 72 HA VAL 72 0.983 2.746 -5.757 521 HB VAL 72 HB VAL 72 1.518 1.437 -3.075 522 1HG1 VAL 72 1HG1 VAL 72 -0.918 2.661 -4.247 523 2HG1 VAL 72 2HG1 VAL 72 -0.493 2.396 -2.556 524 3HG1 VAL 72 3HG1 VAL 72 -1.132 1.066 -3.525 525 1HG2 VAL 72 1HG2 VAL 72 1.874 -0.138 -4.830 526 2HG2 VAL 72 2HG2 VAL 72 0.505 0.472 -5.758 527 3HG2 VAL 72 3HG2 VAL 72 0.227 -0.440 -4.274 528 H VAL 73 H VAL 73 -0.100 4.655 -5.180 529 HA VAL 73 HA VAL 73 0.833 6.142 -2.771 530 HB VAL 73 HB VAL 73 0.717 7.409 -5.510 531 1HG1 VAL 73 1HG1 VAL 73 0.713 9.103 -3.894 532 2HG1 VAL 73 2HG1 VAL 73 2.435 8.907 -4.216 533 3HG1 VAL 73 3HG1 VAL 73 1.719 8.177 -2.779 534 1HG2 VAL 73 1HG2 VAL 73 3.056 6.111 -4.089 535 2HG2 VAL 73 2HG2 VAL 73 3.221 7.190 -5.475 536 3HG2 VAL 73 3HG2 VAL 73 2.377 5.651 -5.649 537 H ALA 74 H ALA 74 -0.942 6.942 -1.751 538 HA ALA 74 HA ALA 74 -3.569 6.926 -3.060 539 1HB ALA 74 1HB ALA 74 -2.387 7.170 -0.381 540 2HB ALA 74 2HB ALA 74 -3.929 6.462 -0.860 541 3HB ALA 74 3HB ALA 74 -3.798 8.203 -0.610 542 H LEU 75 H LEU 75 -4.942 9.068 -2.655 543 HA LEU 75 HA LEU 75 -3.254 11.488 -3.098 544 1HB LEU 75 2HB LEU 75 -5.543 10.602 -4.873 545 2HB LEU 75 1HB LEU 75 -4.524 12.020 -5.112 546 HG LEU 75 HG LEU 75 -3.504 9.167 -5.075 547 1HD1 LEU 75 1HD1 LEU 75 -4.652 10.866 -7.198 548 2HD1 LEU 75 2HD1 LEU 75 -4.466 9.113 -7.136 549 3HD1 LEU 75 3HD1 LEU 75 -3.104 10.129 -7.604 550 1HD2 LEU 75 1HD2 LEU 75 -2.087 11.407 -4.521 551 2HD2 LEU 75 2HD2 LEU 75 -1.994 11.437 -6.280 552 3HD2 LEU 75 3HD2 LEU 75 -1.395 10.038 -5.391 553 H HIS 76 H HIS 76 -4.810 13.458 -3.324 554 HA HIS 76 HA HIS 76 -7.418 13.426 -2.124 555 1HB HIS 76 2HB HIS 76 -6.066 12.733 -0.168 556 2HB HIS 76 1HB HIS 76 -5.070 14.177 -0.350 557 HD1 HIS 76 HD1 HIS 76 -5.759 15.962 1.229 558 HD2 HIS 76 HD2 HIS 76 -9.033 13.706 -0.029 559 HE1 HIS 76 HE1 HIS 76 -7.792 16.946 2.377 560 H ASP 77 H ASP 77 -7.952 15.033 -3.641 561 HA ASP 77 HA ASP 77 -8.093 17.226 -4.516 562 1HB ASP 77 2HB ASP 77 -7.053 17.404 -1.768 563 2HB ASP 77 1HB ASP 77 -6.636 18.792 -2.772 564 H ASP 78 H ASP 78 -4.876 17.404 -2.972 565 HA ASP 78 HA ASP 78 -3.491 17.096 -5.555 566 1HB ASP 78 2HB ASP 78 -3.725 19.728 -4.067 567 2HB ASP 78 1HB ASP 78 -2.524 19.434 -5.324 568 H MET 79 H MET 79 -3.030 15.431 -3.493 569 HA MET 79 HA MET 79 -0.568 16.487 -2.146 570 1HB MET 79 2HB MET 79 -2.972 15.063 -1.233 571 2HB MET 79 1HB MET 79 -1.467 14.342 -0.656 572 1HG MET 79 2HG MET 79 -2.124 16.011 0.953 573 2HG MET 79 1HG MET 79 -0.743 16.650 0.063 574 1HE MET 79 1HE MET 79 -1.857 18.354 1.626 575 2HE MET 79 2HE MET 79 -3.616 18.452 1.623 576 3HE MET 79 3HE MET 79 -2.670 19.738 0.876 577 H GLU 80 H GLU 80 1.146 14.927 -1.827 578 HA GLU 80 HA GLU 80 0.984 12.401 -3.412 579 1HB GLU 80 2HB GLU 80 2.995 14.662 -3.667 580 2HB GLU 80 1HB GLU 80 3.272 13.053 -4.336 581 1HG GLU 80 2HG GLU 80 0.963 13.357 -5.480 582 2HG GLU 80 1HG GLU 80 1.169 15.070 -5.113 583 H SER 81 H SER 81 0.879 11.576 -1.135 584 HA SER 81 HA SER 81 3.032 12.024 0.746 585 1HB SER 81 2HB SER 81 1.916 10.189 1.936 586 2HB SER 81 1HB SER 81 0.721 11.307 1.285 587 HG SER 81 HG SER 81 0.441 9.879 -0.458 588 H GLN 82 H GLN 82 4.401 10.144 1.554 589 HA GLN 82 HA GLN 82 6.237 9.228 -0.335 590 1HB GLN 82 2HB GLN 82 5.358 8.424 2.414 591 2HB GLN 82 1HB GLN 82 6.532 7.408 1.575 592 1HG GLN 82 2HG GLN 82 7.518 9.261 3.026 593 2HG GLN 82 1HG GLN 82 8.083 9.216 1.356 594 1HE2 GLN 82 1HE2 GLN 82 6.595 11.216 3.726 595 2HE2 GLN 82 2HE2 GLN 82 6.147 12.490 2.697 596 HA PRO 83 HA PRO 83 3.777 6.106 -2.352 597 1HB PRO 83 2HB PRO 83 5.709 5.296 -4.104 598 2HB PRO 83 1HB PRO 83 4.782 6.793 -4.315 599 1HG PRO 83 2HG PRO 83 7.547 6.412 -3.303 600 2HG PRO 83 1HG PRO 83 6.875 7.716 -4.294 601 1HD PRO 83 2HD PRO 83 7.354 7.914 -1.587 602 2HD PRO 83 1HD PRO 83 6.180 8.910 -2.475 603 H LEU 84 H LEU 84 3.506 3.958 -1.802 604 HA LEU 84 HA LEU 84 5.571 2.615 -0.179 605 1HB LEU 84 2HB LEU 84 3.328 2.396 0.581 606 2HB LEU 84 1HB LEU 84 2.726 2.073 -1.045 607 HG LEU 84 HG LEU 84 3.973 -0.077 -1.057 608 1HD1 LEU 84 1HD1 LEU 84 4.482 -0.539 1.642 609 2HD1 LEU 84 2HD1 LEU 84 5.079 1.100 1.379 610 3HD1 LEU 84 3HD1 LEU 84 5.694 -0.233 0.398 611 1HD2 LEU 84 1HD2 LEU 84 1.573 0.404 0.036 612 2HD2 LEU 84 2HD2 LEU 84 2.407 -0.152 1.485 613 3HD2 LEU 84 3HD2 LEU 84 2.302 -1.198 0.073 614 H ILE 85 H ILE 85 7.197 1.579 -1.297 615 HA ILE 85 HA ILE 85 6.897 0.755 -4.074 616 HB ILE 85 HB ILE 85 9.001 0.566 -1.925 617 1HG1 ILE 85 2HG1 ILE 85 8.468 2.698 -3.236 618 2HG1 ILE 85 1HG1 ILE 85 10.148 2.164 -3.292 619 1HG2 ILE 85 1HG2 ILE 85 9.233 -0.508 -4.756 620 2HG2 ILE 85 2HG2 ILE 85 9.125 -1.506 -3.306 621 3HG2 ILE 85 3HG2 ILE 85 10.521 -0.456 -3.553 622 1HD1 ILE 85 1HD1 ILE 85 9.481 2.733 -5.545 623 2HD1 ILE 85 2HD1 ILE 85 8.030 1.739 -5.416 624 3HD1 ILE 85 3HD1 ILE 85 9.621 0.978 -5.453 625 H GLY 86 H GLY 86 7.137 -1.431 -4.852 626 1HA GLY 86 2HA GLY 86 6.970 -3.708 -3.042 627 2HA GLY 86 1HA GLY 86 5.449 -3.382 -3.877 628 H THR 87 H THR 87 8.801 -4.347 -4.323 629 HA THR 87 HA THR 87 8.503 -4.634 -7.234 630 HB THR 87 HB THR 87 10.682 -5.327 -5.248 631 HG1 THR 87 HG1 THR 87 10.950 -3.262 -5.394 632 1HG2 THR 87 1HG2 THR 87 10.631 -5.408 -8.271 633 2HG2 THR 87 2HG2 THR 87 10.975 -6.741 -7.170 634 3HG2 THR 87 3HG2 THR 87 12.119 -5.409 -7.324 635 H GLN 88 H GLN 88 7.908 -6.486 -8.259 636 HA GLN 88 HA GLN 88 7.978 -9.060 -6.733 637 1HB GLN 88 2HB GLN 88 5.728 -7.683 -7.064 638 2HB GLN 88 1HB GLN 88 5.778 -8.422 -8.664 639 1HG GLN 88 2HG GLN 88 6.254 -10.171 -6.285 640 2HG GLN 88 1HG GLN 88 4.600 -9.658 -6.632 641 1HE2 GLN 88 1HE2 GLN 88 5.839 -12.397 -6.948 642 2HE2 GLN 88 2HE2 GLN 88 5.594 -12.806 -8.577 643 H SER 89 H SER 89 8.495 -10.880 -8.037 644 HA SER 89 HA SER 89 9.771 -10.263 -10.621 645 1HB SER 89 2HB SER 89 10.459 -12.653 -10.410 646 2HB SER 89 1HB SER 89 10.844 -11.716 -8.967 647 HG SER 89 HG SER 89 8.379 -13.065 -9.210 648 H THR 90 H THR 90 8.523 -10.267 -12.460 649 HA THR 90 HA THR 90 5.870 -11.278 -12.657 650 HB THR 90 HB THR 90 7.100 -11.350 -15.212 651 HG1 THR 90 HG1 THR 90 8.024 -9.074 -14.813 652 1HG2 THR 90 1HG2 THR 90 5.710 -9.074 -13.781 653 2HG2 THR 90 2HG2 THR 90 4.900 -10.385 -14.639 654 3HG2 THR 90 3HG2 THR 90 5.902 -9.237 -15.526 655 H ALA 91 H ALA 91 5.068 -13.299 -13.216 656 HA ALA 91 HA ALA 91 6.666 -15.643 -12.885 657 1HB ALA 91 1HB ALA 91 4.461 -16.393 -14.369 658 2HB ALA 91 2HB ALA 91 3.935 -14.868 -13.656 659 3HB ALA 91 3HB ALA 91 4.472 -16.187 -12.618 660 H ILE 92 H ILE 92 5.972 -17.254 -15.049 661 HA ILE 92 HA ILE 92 7.107 -15.988 -17.475 662 HB ILE 92 HB ILE 92 8.863 -17.785 -17.503 663 1HG1 ILE 92 2HG1 ILE 92 7.493 -18.394 -14.893 664 2HG1 ILE 92 1HG1 ILE 92 8.039 -19.511 -16.140 665 1HG2 ILE 92 1HG2 ILE 92 9.173 -15.427 -16.576 666 2HG2 ILE 92 2HG2 ILE 92 10.310 -16.636 -15.977 667 3HG2 ILE 92 3HG2 ILE 92 8.951 -16.128 -14.973 668 1HD1 ILE 92 1HD1 ILE 92 10.418 -18.723 -15.542 669 2HD1 ILE 92 2HD1 ILE 92 9.603 -19.779 -14.391 670 3HD1 ILE 92 3HD1 ILE 92 9.688 -18.045 -14.087 671 HA PRO 93 HA PRO 93 4.643 -19.074 -19.385 672 1HB PRO 93 2HB PRO 93 6.034 -19.692 -21.651 673 2HB PRO 93 1HB PRO 93 5.225 -18.134 -21.401 674 1HG PRO 93 2HG PRO 93 8.091 -18.778 -21.358 675 2HG PRO 93 1HG PRO 93 7.286 -17.230 -21.641 676 1HD PRO 93 2HD PRO 93 8.533 -18.126 -19.241 677 2HD PRO 93 1HD PRO 93 7.641 -16.613 -19.494 678 H ALA 94 H ALA 94 4.503 -21.008 -18.257 679 HA ALA 94 HA ALA 94 6.809 -22.887 -18.270 680 1HB ALA 94 1HB ALA 94 5.224 -24.071 -16.624 681 2HB ALA 94 2HB ALA 94 4.192 -22.648 -16.772 682 3HB ALA 94 3HB ALA 94 5.827 -22.489 -16.130 Start of MODEL 4 1 1H ASN 1 1H ASN 1 -0.513 13.053 7.726 2 2H ASN 1 2H ASN 1 -0.377 12.194 6.266 3 3H ASN 1 3H ASN 1 -0.858 11.394 7.686 4 HA ASN 1 HA ASN 1 -2.918 12.671 7.746 5 1HB ASN 1 2HB ASN 1 -1.383 14.436 6.331 6 2HB ASN 1 1HB ASN 1 -2.405 13.771 5.056 7 1HD2 ASN 1 1HD2 ASN 1 -2.353 15.930 7.768 8 2HD2 ASN 1 2HD2 ASN 1 -4.006 16.313 7.765 9 H ILE 2 H ILE 2 -4.397 12.702 5.358 10 HA ILE 2 HA ILE 2 -5.655 11.144 4.100 11 HB ILE 2 HB ILE 2 -3.532 11.753 2.795 12 1HG1 ILE 2 2HG1 ILE 2 -4.441 8.995 2.040 13 2HG1 ILE 2 1HG1 ILE 2 -5.619 10.307 2.062 14 1HG2 ILE 2 1HG2 ILE 2 -1.800 10.593 3.881 15 2HG2 ILE 2 2HG2 ILE 2 -2.083 9.634 2.431 16 3HG2 ILE 2 3HG2 ILE 2 -2.732 9.101 3.978 17 1HD1 ILE 2 1HD1 ILE 2 -4.768 10.294 -0.156 18 2HD1 ILE 2 2HD1 ILE 2 -3.108 10.081 0.400 19 3HD1 ILE 2 3HD1 ILE 2 -3.926 11.622 0.641 20 H ASP 3 H ASP 3 -5.573 8.588 3.456 21 HA ASP 3 HA ASP 3 -6.004 7.150 5.882 22 1HB ASP 3 2HB ASP 3 -6.434 5.317 4.385 23 2HB ASP 3 1HB ASP 3 -6.961 6.784 3.559 24 H ARG 4 H ARG 4 -3.213 7.269 3.690 25 HA ARG 4 HA ARG 4 -0.999 6.496 4.014 26 1HB ARG 4 2HB ARG 4 -2.188 7.094 6.639 27 2HB ARG 4 1HB ARG 4 -0.844 5.955 6.717 28 1HG ARG 4 2HG ARG 4 0.608 7.501 5.531 29 2HG ARG 4 1HG ARG 4 -0.735 8.615 5.268 30 1HD ARG 4 2HD ARG 4 0.460 7.846 7.960 31 2HD ARG 4 1HD ARG 4 0.563 9.431 7.166 32 HE ARG 4 HE ARG 4 -1.954 9.520 7.326 33 1HH1 ARG 4 1HH1 ARG 4 -0.384 9.359 10.048 34 2HH1 ARG 4 2HH1 ARG 4 -1.480 8.362 10.946 35 1HH2 ARG 4 1HH2 ARG 4 -3.279 7.363 8.156 36 2HH2 ARG 4 2HH2 ARG 4 -3.117 7.232 9.876 37 HA PRO 5 HA PRO 5 -2.163 2.154 3.880 38 1HB PRO 5 2HB PRO 5 -0.069 1.369 2.315 39 2HB PRO 5 1HB PRO 5 -1.522 2.152 1.663 40 1HG PRO 5 2HG PRO 5 1.168 3.298 2.192 41 2HG PRO 5 1HG PRO 5 0.021 3.658 0.893 42 1HD PRO 5 2HD PRO 5 0.404 5.237 3.123 43 2HD PRO 5 1HD PRO 5 -1.069 5.234 2.128 44 H LYS 6 H LYS 6 -0.621 0.079 4.167 45 HA LYS 6 HA LYS 6 1.406 0.684 6.297 46 1HB LYS 6 2HB LYS 6 -0.847 -1.333 6.175 47 2HB LYS 6 1HB LYS 6 0.494 -1.503 7.306 48 1HG LYS 6 2HG LYS 6 -0.048 0.941 7.986 49 2HG LYS 6 1HG LYS 6 -1.593 0.665 7.180 50 1HD LYS 6 2HD LYS 6 -0.451 -1.046 9.412 51 2HD LYS 6 1HD LYS 6 -1.739 0.146 9.596 52 1HE LYS 6 2HE LYS 6 -3.299 -1.158 8.441 53 2HE LYS 6 1HE LYS 6 -2.044 -2.031 7.538 54 1HZ LYS 6 1HZ LYS 6 -2.936 -3.405 9.321 55 2HZ LYS 6 2HZ LYS 6 -2.517 -2.223 10.468 56 3HZ LYS 6 3HZ LYS 6 -1.305 -3.042 9.605 57 H GLY 7 H GLY 7 0.185 -2.074 4.357 58 1HA GLY 7 2HA GLY 7 2.781 -2.487 3.095 59 2HA GLY 7 1HA GLY 7 2.412 -3.703 4.317 60 H LEU 8 H LEU 8 1.568 -2.482 1.164 61 HA LEU 8 HA LEU 8 -0.831 -3.751 0.557 62 1HB LEU 8 2HB LEU 8 -0.200 -3.340 -1.651 63 2HB LEU 8 1HB LEU 8 0.927 -2.291 -0.793 64 HG LEU 8 HG LEU 8 2.298 -4.669 -0.803 65 1HD1 LEU 8 1HD1 LEU 8 1.005 -5.953 -2.236 66 2HD1 LEU 8 2HD1 LEU 8 2.075 -5.171 -3.398 67 3HD1 LEU 8 3HD1 LEU 8 0.443 -4.553 -3.149 68 1HD2 LEU 8 1HD2 LEU 8 3.687 -3.627 -2.508 69 2HD2 LEU 8 2HD2 LEU 8 3.100 -2.372 -1.419 70 3HD2 LEU 8 3HD2 LEU 8 2.358 -2.582 -3.005 71 H ALA 9 H ALA 9 -0.914 -5.786 -1.010 72 HA ALA 9 HA ALA 9 0.919 -7.943 -0.067 73 1HB ALA 9 1HB ALA 9 -0.696 -8.838 1.234 74 2HB ALA 9 2HB ALA 9 -1.804 -8.880 -0.137 75 3HB ALA 9 3HB ALA 9 -1.712 -7.441 0.879 76 H PHE 10 H PHE 10 1.153 -9.619 -1.596 77 HA PHE 10 HA PHE 10 0.102 -9.025 -4.310 78 1HB PHE 10 2HB PHE 10 2.164 -10.962 -3.212 79 2HB PHE 10 1HB PHE 10 1.823 -10.735 -4.927 80 HD1 PHE 10 HD1 PHE 10 4.028 -9.825 -2.414 81 HD2 PHE 10 HD2 PHE 10 1.699 -8.068 -5.569 82 HE1 PHE 10 HE1 PHE 10 5.566 -7.880 -2.467 83 HE2 PHE 10 HE2 PHE 10 3.237 -6.123 -5.622 84 HZ PHE 10 HZ PHE 10 5.171 -6.030 -4.072 85 H THR 11 H THR 11 -1.520 -10.253 -5.217 86 HA THR 11 HA THR 11 -2.539 -12.585 -3.665 87 HB THR 11 HB THR 11 -3.613 -10.637 -5.695 88 HG1 THR 11 HG1 THR 11 -4.038 -9.991 -3.694 89 1HG2 THR 11 1HG2 THR 11 -5.750 -12.250 -5.263 90 2HG2 THR 11 2HG2 THR 11 -4.454 -13.444 -5.290 91 3HG2 THR 11 3HG2 THR 11 -4.703 -12.380 -6.674 92 H ASP 12 H ASP 12 -1.826 -11.674 -7.063 93 HA ASP 12 HA ASP 12 -0.859 -14.423 -7.575 94 1HB ASP 12 2HB ASP 12 -3.439 -14.068 -7.910 95 2HB ASP 12 1HB ASP 12 -2.944 -13.235 -9.385 96 H VAL 13 H VAL 13 1.075 -14.059 -8.597 97 HA VAL 13 HA VAL 13 1.436 -11.576 -10.185 98 HB VAL 13 HB VAL 13 3.071 -12.259 -8.458 99 1HG1 VAL 13 1HG1 VAL 13 4.202 -14.464 -10.019 100 2HG1 VAL 13 2HG1 VAL 13 2.580 -14.815 -9.424 101 3HG1 VAL 13 3HG1 VAL 13 3.859 -14.373 -8.292 102 1HG2 VAL 13 1HG2 VAL 13 4.348 -12.660 -11.169 103 2HG2 VAL 13 2HG2 VAL 13 5.011 -11.835 -9.759 104 3HG2 VAL 13 3HG2 VAL 13 3.704 -11.093 -10.680 105 H ASP 14 H ASP 14 1.177 -11.647 -12.361 106 HA ASP 14 HA ASP 14 1.490 -14.284 -13.759 107 1HB ASP 14 2HB ASP 14 -0.586 -12.271 -13.658 108 2HB ASP 14 1HB ASP 14 -0.006 -12.452 -15.314 109 H VAL 15 H VAL 15 3.080 -14.330 -15.316 110 HA VAL 15 HA VAL 15 5.056 -12.442 -15.712 111 HB VAL 15 HB VAL 15 5.331 -14.584 -16.645 112 1HG1 VAL 15 1HG1 VAL 15 2.599 -14.105 -17.830 113 2HG1 VAL 15 2HG1 VAL 15 3.141 -15.442 -16.813 114 3HG1 VAL 15 3HG1 VAL 15 3.661 -15.346 -18.494 115 1HG2 VAL 15 1HG2 VAL 15 6.207 -12.838 -18.146 116 2HG2 VAL 15 2HG2 VAL 15 4.655 -12.774 -18.979 117 3HG2 VAL 15 3HG2 VAL 15 5.644 -14.231 -19.065 118 H ASP 16 H ASP 16 1.839 -12.484 -17.163 119 HA ASP 16 HA ASP 16 2.504 -9.943 -18.616 120 1HB ASP 16 2HB ASP 16 1.754 -12.140 -19.787 121 2HB ASP 16 1HB ASP 16 0.158 -11.770 -19.132 122 H SER 17 H SER 17 1.457 -10.571 -15.731 123 HA SER 17 HA SER 17 -0.251 -8.275 -15.524 124 1HB SER 17 2HB SER 17 -2.059 -9.378 -16.416 125 2HB SER 17 1HB SER 17 -1.418 -10.965 -16.003 126 HG SER 17 HG SER 17 -3.017 -10.715 -14.573 127 H ILE 18 H ILE 18 -0.730 -7.783 -13.327 128 HA ILE 18 HA ILE 18 0.275 -9.731 -11.295 129 HB ILE 18 HB ILE 18 0.883 -6.768 -11.307 130 1HG1 ILE 18 2HG1 ILE 18 1.817 -7.816 -13.345 131 2HG1 ILE 18 1HG1 ILE 18 3.092 -7.355 -12.221 132 1HG2 ILE 18 1HG2 ILE 18 2.434 -7.278 -9.607 133 2HG2 ILE 18 2HG2 ILE 18 2.437 -8.997 -10.002 134 3HG2 ILE 18 3HG2 ILE 18 1.037 -8.276 -9.207 135 1HD1 ILE 18 1HD1 ILE 18 2.091 -10.050 -11.712 136 2HD1 ILE 18 2HD1 ILE 18 3.750 -9.495 -11.939 137 3HD1 ILE 18 3HD1 ILE 18 2.747 -9.873 -13.339 138 H LYS 19 H LYS 19 -1.455 -10.071 -9.948 139 HA LYS 19 HA LYS 19 -3.534 -7.995 -9.606 140 1HB LYS 19 2HB LYS 19 -3.526 -10.726 -9.759 141 2HB LYS 19 1HB LYS 19 -3.558 -10.496 -8.011 142 1HG LYS 19 2HG LYS 19 -5.652 -9.560 -8.031 143 2HG LYS 19 1HG LYS 19 -5.406 -8.793 -9.600 144 1HD LYS 19 2HD LYS 19 -5.716 -10.913 -10.747 145 2HD LYS 19 1HD LYS 19 -5.803 -11.771 -9.208 146 1HE LYS 19 2HE LYS 19 -7.786 -10.140 -8.685 147 2HE LYS 19 1HE LYS 19 -7.829 -9.919 -10.445 148 1HZ LYS 19 1HZ LYS 19 -7.530 -12.537 -10.324 149 2HZ LYS 19 2HZ LYS 19 -9.060 -11.800 -10.329 150 3HZ LYS 19 3HZ LYS 19 -8.363 -12.311 -8.866 151 H ILE 20 H ILE 20 -2.899 -6.377 -8.169 152 HA ILE 20 HA ILE 20 -1.543 -7.265 -5.648 153 HB ILE 20 HB ILE 20 -0.453 -5.127 -5.667 154 1HG1 ILE 20 2HG1 ILE 20 -1.819 -4.179 -8.146 155 2HG1 ILE 20 1HG1 ILE 20 -2.744 -4.081 -6.652 156 1HG2 ILE 20 1HG2 ILE 20 0.860 -5.383 -7.569 157 2HG2 ILE 20 2HG2 ILE 20 -0.525 -5.730 -8.605 158 3HG2 ILE 20 3HG2 ILE 20 0.076 -6.961 -7.494 159 1HD1 ILE 20 1HD1 ILE 20 -0.979 -2.790 -5.583 160 2HD1 ILE 20 2HD1 ILE 20 -1.422 -2.011 -7.102 161 3HD1 ILE 20 3HD1 ILE 20 0.053 -2.973 -7.001 162 H ALA 21 H ALA 21 -2.232 -6.308 -3.664 163 HA ALA 21 HA ALA 21 -4.808 -4.793 -3.739 164 1HB ALA 21 1HB ALA 21 -5.350 -7.145 -3.450 165 2HB ALA 21 2HB ALA 21 -5.583 -6.335 -1.902 166 3HB ALA 21 3HB ALA 21 -4.137 -7.307 -2.182 167 H TRP 22 H TRP 22 -4.482 -2.955 -2.544 168 HA TRP 22 HA TRP 22 -2.442 -3.034 -0.353 169 1HB TRP 22 2HB TRP 22 -2.387 -0.575 -0.733 170 2HB TRP 22 1HB TRP 22 -2.037 -1.476 -2.209 171 HD1 TRP 22 HD1 TRP 22 -4.676 0.720 -0.578 172 HE1 TRP 22 HE1 TRP 22 -6.424 1.390 -2.355 173 HE3 TRP 22 HE3 TRP 22 -3.165 -2.238 -4.456 174 HZ2 TRP 22 HZ2 TRP 22 -7.084 0.753 -5.061 175 HZ3 TRP 22 HZ3 TRP 22 -4.374 -2.188 -6.621 176 HH2 TRP 22 HH2 TRP 22 -6.332 -0.696 -6.927 177 H GLU 23 H GLU 23 -3.158 -0.932 1.174 178 HA GLU 23 HA GLU 23 -5.524 -1.895 2.584 179 1HB GLU 23 2HB GLU 23 -3.467 -1.033 3.668 180 2HB GLU 23 1HB GLU 23 -3.769 0.552 2.953 181 1HG GLU 23 2HG GLU 23 -4.911 0.987 4.865 182 2HG GLU 23 1HG GLU 23 -6.183 -0.005 4.152 183 H SER 24 H SER 24 -7.533 -1.384 1.776 184 HA SER 24 HA SER 24 -8.301 0.511 -0.087 185 1HB SER 24 2HB SER 24 -9.864 -0.084 2.429 186 2HB SER 24 1HB SER 24 -10.499 0.213 0.815 187 HG SER 24 HG SER 24 -10.499 -1.973 1.080 188 HA PRO 25 HA PRO 25 -7.891 4.502 1.689 189 1HB PRO 25 2HB PRO 25 -10.192 5.770 0.917 190 2HB PRO 25 1HB PRO 25 -8.869 5.393 -0.205 191 1HG PRO 25 2HG PRO 25 -11.444 3.957 0.230 192 2HG PRO 25 1HG PRO 25 -10.574 4.283 -1.278 193 1HD PRO 25 2HD PRO 25 -10.513 1.868 -0.022 194 2HD PRO 25 1HD PRO 25 -9.178 2.478 -1.023 195 H GLN 26 H GLN 26 -8.807 5.965 3.371 196 HA GLN 26 HA GLN 26 -11.043 4.795 4.962 197 1HB GLN 26 2HB GLN 26 -8.417 5.670 6.176 198 2HB GLN 26 1HB GLN 26 -9.688 4.699 6.923 199 1HG GLN 26 2HG GLN 26 -9.224 2.845 5.410 200 2HG GLN 26 1HG GLN 26 -8.043 3.816 4.534 201 1HE2 GLN 26 1HE2 GLN 26 -8.338 1.531 7.006 202 2HE2 GLN 26 2HE2 GLN 26 -6.851 1.801 7.779 203 H GLY 27 H GLY 27 -8.628 7.395 5.357 204 1HA GLY 27 2HA GLY 27 -10.414 9.239 6.571 205 2HA GLY 27 1HA GLY 27 -8.909 9.686 5.768 206 H GLN 28 H GLN 28 -8.980 10.097 3.451 207 HA GLN 28 HA GLN 28 -11.561 10.200 2.067 208 1HB GLN 28 2HB GLN 28 -11.575 12.116 3.699 209 2HB GLN 28 1HB GLN 28 -10.159 12.766 2.871 210 1HG GLN 28 2HG GLN 28 -11.476 12.800 0.745 211 2HG GLN 28 1HG GLN 28 -12.895 12.290 1.659 212 1HE2 GLN 28 1HE2 GLN 28 -12.299 14.931 0.235 213 2HE2 GLN 28 2HE2 GLN 28 -12.542 16.116 1.427 214 H VAL 29 H VAL 29 -10.068 8.922 0.639 215 HA VAL 29 HA VAL 29 -7.819 10.325 -0.625 216 HB VAL 29 HB VAL 29 -9.179 7.641 -0.838 217 1HG1 VAL 29 1HG1 VAL 29 -8.629 8.033 -3.117 218 2HG1 VAL 29 2HG1 VAL 29 -7.271 7.104 -2.480 219 3HG1 VAL 29 3HG1 VAL 29 -7.123 8.848 -2.697 220 1HG2 VAL 29 1HG2 VAL 29 -6.254 8.196 -0.402 221 2HG2 VAL 29 2HG2 VAL 29 -7.221 6.832 0.160 222 3HG2 VAL 29 3HG2 VAL 29 -7.392 8.410 0.927 223 H SER 30 H SER 30 -8.253 11.850 -2.177 224 HA SER 30 HA SER 30 -10.767 11.774 -3.720 225 1HB SER 30 2HB SER 30 -8.998 13.706 -2.751 226 2HB SER 30 1HB SER 30 -8.744 13.734 -4.494 227 HG SER 30 HG SER 30 -11.020 13.945 -4.717 228 H ARG 31 H ARG 31 -7.726 10.373 -4.030 229 HA ARG 31 HA ARG 31 -8.214 9.484 -6.739 230 1HB ARG 31 2HB ARG 31 -6.846 11.999 -6.274 231 2HB ARG 31 1HB ARG 31 -5.798 10.862 -7.123 232 1HG ARG 31 2HG ARG 31 -7.862 10.417 -8.637 233 2HG ARG 31 1HG ARG 31 -8.488 11.926 -7.971 234 1HD ARG 31 2HD ARG 31 -5.686 11.843 -9.085 235 2HD ARG 31 1HD ARG 31 -7.075 12.041 -10.173 236 HE ARG 31 HE ARG 31 -7.627 13.850 -8.187 237 1HH1 ARG 31 1HH1 ARG 31 -6.075 14.023 -11.038 238 2HH1 ARG 31 2HH1 ARG 31 -4.954 15.272 -10.613 239 1HH2 ARG 31 1HH2 ARG 31 -5.647 15.110 -7.219 240 2HH2 ARG 31 2HH2 ARG 31 -4.710 15.888 -8.453 241 H TYR 32 H TYR 32 -6.539 7.981 -7.448 242 HA TYR 32 HA TYR 32 -4.632 7.200 -5.271 243 1HB TYR 32 2HB TYR 32 -6.864 5.853 -5.784 244 2HB TYR 32 1HB TYR 32 -5.893 5.191 -7.101 245 HD1 TYR 32 HD1 TYR 32 -4.030 3.724 -6.679 246 HD2 TYR 32 HD2 TYR 32 -6.144 5.566 -3.425 247 HE1 TYR 32 HE1 TYR 32 -2.876 2.224 -5.078 248 HE2 TYR 32 HE2 TYR 32 -4.990 4.064 -1.825 249 HH TYR 32 HH TYR 32 -2.712 2.758 -1.851 250 H ARG 33 H ARG 33 -2.639 7.671 -6.126 251 HA ARG 33 HA ARG 33 -2.195 7.266 -9.044 252 1HB ARG 33 2HB ARG 33 -1.632 9.429 -8.086 253 2HB ARG 33 1HB ARG 33 -0.652 8.658 -6.840 254 1HG ARG 33 2HG ARG 33 0.549 7.592 -8.973 255 2HG ARG 33 1HG ARG 33 -0.058 9.064 -9.734 256 1HD ARG 33 2HD ARG 33 0.980 9.961 -7.297 257 2HD ARG 33 1HD ARG 33 2.155 8.754 -7.858 258 HE ARG 33 HE ARG 33 1.480 10.241 -10.131 259 1HH1 ARG 33 1HH2 ARG 33 3.332 10.384 -7.267 260 2HH1 ARG 33 2HH2 ARG 33 4.063 11.910 -7.638 261 1HH2 ARG 33 1HH1 ARG 33 2.193 12.403 -10.516 262 2HH2 ARG 33 2HH1 ARG 33 3.418 13.052 -9.479 263 H VAL 34 H VAL 34 -1.206 5.397 -9.672 264 HA VAL 34 HA VAL 34 0.644 4.049 -7.732 265 HB VAL 34 HB VAL 34 -1.225 2.843 -9.801 266 1HG1 VAL 34 1HG1 VAL 34 -0.375 0.775 -9.259 267 2HG1 VAL 34 2HG1 VAL 34 0.035 1.259 -7.613 268 3HG1 VAL 34 3HG1 VAL 34 1.072 1.736 -8.957 269 1HG2 VAL 34 1HG2 VAL 34 -2.817 2.936 -8.209 270 2HG2 VAL 34 2HG2 VAL 34 -1.702 3.795 -7.146 271 3HG2 VAL 34 3HG2 VAL 34 -1.773 2.033 -7.110 272 H THR 35 H THR 35 2.708 4.235 -8.534 273 HA THR 35 HA THR 35 3.068 4.289 -11.501 274 HB THR 35 HB THR 35 5.428 5.100 -10.273 275 HG1 THR 35 HG1 THR 35 4.594 5.287 -8.270 276 1HG2 THR 35 1HG2 THR 35 4.587 7.407 -10.884 277 2HG2 THR 35 2HG2 THR 35 3.037 6.661 -11.274 278 3HG2 THR 35 3HG2 THR 35 4.484 6.216 -12.180 279 H TYR 36 H TYR 36 4.563 2.899 -12.447 280 HA TYR 36 HA TYR 36 6.090 1.004 -10.741 281 1HB TYR 36 2HB TYR 36 5.099 -0.799 -12.416 282 2HB TYR 36 1HB TYR 36 4.157 -0.304 -11.015 283 HD1 TYR 36 HD1 TYR 36 2.510 1.705 -11.354 284 HD2 TYR 36 HD2 TYR 36 4.188 -0.598 -14.568 285 HE1 TYR 36 HE1 TYR 36 0.697 2.476 -12.861 286 HE2 TYR 36 HE2 TYR 36 2.371 0.178 -16.069 287 HH TYR 36 HH TYR 36 -0.033 1.044 -15.754 288 H SER 37 H SER 37 8.006 0.320 -11.798 289 HA SER 37 HA SER 37 8.315 0.977 -14.680 290 1HB SER 37 2HB SER 37 9.894 2.634 -14.318 291 2HB SER 37 1HB SER 37 8.863 2.876 -12.913 292 HG SER 37 HG SER 37 11.391 1.669 -13.120 293 H SER 38 H SER 38 11.012 0.751 -14.893 294 HA SER 38 HA SER 38 11.824 -1.829 -13.649 295 1HB SER 38 2HB SER 38 10.758 -1.503 -16.250 296 2HB SER 38 1HB SER 38 12.491 -1.730 -16.465 297 HG SER 38 HG SER 38 12.314 -3.715 -15.749 298 HA PRO 39 HA PRO 39 15.662 0.293 -13.554 299 1HB PRO 39 2HB PRO 39 17.404 -1.814 -13.499 300 2HB PRO 39 1HB PRO 39 16.402 -1.344 -12.112 301 1HG PRO 39 2HG PRO 39 16.018 -3.562 -14.054 302 2HG PRO 39 1HG PRO 39 15.665 -3.504 -12.320 303 1HD PRO 39 2HD PRO 39 13.769 -3.247 -14.299 304 2HD PRO 39 1HD PRO 39 13.588 -2.616 -12.648 305 H GLU 40 H GLU 40 14.674 0.361 -16.161 306 HA GLU 40 HA GLU 40 16.880 0.790 -17.824 307 1HB GLU 40 2HB GLU 40 16.276 -2.041 -17.363 308 2HB GLU 40 1HB GLU 40 16.299 -1.631 -19.078 309 1HG GLU 40 2HG GLU 40 18.499 -0.573 -17.346 310 2HG GLU 40 1HG GLU 40 18.542 -2.277 -17.801 311 H ASP 41 H ASP 41 13.975 -1.256 -18.329 312 HA ASP 41 HA ASP 41 13.160 -0.191 -20.794 313 1HB ASP 41 2HB ASP 41 11.714 -1.345 -18.410 314 2HB ASP 41 1HB ASP 41 10.845 -0.905 -19.882 315 H GLY 42 H GLY 42 12.246 0.894 -17.524 316 1HA GLY 42 2HA GLY 42 12.308 3.475 -17.402 317 2HA GLY 42 1HA GLY 42 11.171 3.387 -18.746 318 H ILE 43 H ILE 43 9.659 4.555 -17.285 319 HA ILE 43 HA ILE 43 8.354 2.691 -15.343 320 HB ILE 43 HB ILE 43 9.668 4.496 -14.294 321 1HG1 ILE 43 2HG1 ILE 43 6.804 5.332 -13.948 322 2HG1 ILE 43 1HG1 ILE 43 7.265 3.688 -13.516 323 1HG2 ILE 43 1HG2 ILE 43 8.256 6.050 -16.352 324 2HG2 ILE 43 2HG2 ILE 43 9.775 6.397 -15.526 325 3HG2 ILE 43 3HG2 ILE 43 8.241 6.809 -14.760 326 1HD1 ILE 43 1HD1 ILE 43 9.162 5.677 -12.518 327 2HD1 ILE 43 2HD1 ILE 43 8.355 4.367 -11.656 328 3HD1 ILE 43 3HD1 ILE 43 7.535 5.912 -11.881 329 H HIS 44 H HIS 44 6.069 3.255 -14.904 330 HA HIS 44 HA HIS 44 4.675 4.671 -17.130 331 1HB HIS 44 2HB HIS 44 4.880 2.163 -17.481 332 2HB HIS 44 1HB HIS 44 3.917 1.956 -16.023 333 HD1 HIS 44 HD1 HIS 44 3.099 4.857 -18.190 334 HD2 HIS 44 HD2 HIS 44 1.758 0.943 -17.677 335 HE1 HIS 44 HE1 HIS 44 0.891 4.688 -19.423 336 H GLU 45 H GLU 45 2.638 5.591 -16.401 337 HA GLU 45 HA GLU 45 2.305 5.523 -13.415 338 1HB GLU 45 2HB GLU 45 1.530 7.653 -15.432 339 2HB GLU 45 1HB GLU 45 1.498 7.810 -13.677 340 1HG GLU 45 2HG GLU 45 4.104 6.909 -14.392 341 2HG GLU 45 1HG GLU 45 3.702 8.252 -15.463 342 H LEU 46 H LEU 46 0.305 5.070 -12.572 343 HA LEU 46 HA LEU 46 -2.048 4.818 -14.408 344 1HB LEU 46 2HB LEU 46 -1.029 2.597 -14.092 345 2HB LEU 46 1HB LEU 46 -1.036 2.828 -12.343 346 HG LEU 46 HG LEU 46 -3.568 3.129 -12.533 347 1HD1 LEU 46 1HD1 LEU 46 -3.147 3.279 -15.188 348 2HD1 LEU 46 2HD1 LEU 46 -4.666 2.696 -14.505 349 3HD1 LEU 46 3HD1 LEU 46 -3.447 1.546 -15.053 350 1HD2 LEU 46 1HD2 LEU 46 -2.356 0.455 -13.307 351 2HD2 LEU 46 2HD2 LEU 46 -3.953 0.688 -12.594 352 3HD2 LEU 46 3HD2 LEU 46 -2.505 1.075 -11.663 353 H PHE 47 H PHE 47 -3.395 6.385 -13.533 354 HA PHE 47 HA PHE 47 -3.782 6.320 -10.563 355 1HB PHE 47 2HB PHE 47 -3.996 8.931 -10.947 356 2HB PHE 47 1HB PHE 47 -2.409 8.187 -10.780 357 HD1 PHE 47 HD1 PHE 47 -4.893 8.488 -13.585 358 HD2 PHE 47 HD2 PHE 47 -0.858 9.100 -12.251 359 HE1 PHE 47 HE1 PHE 47 -4.271 9.306 -15.841 360 HE2 PHE 47 HE2 PHE 47 -0.236 9.916 -14.507 361 HZ PHE 47 HZ PHE 47 -1.942 10.020 -16.303 362 HA PRO 48 HA PRO 48 -7.777 6.593 -13.012 363 1HB PRO 48 2HB PRO 48 -8.750 4.098 -12.444 364 2HB PRO 48 1HB PRO 48 -7.763 4.442 -13.880 365 1HG PRO 48 2HG PRO 48 -6.968 3.199 -11.294 366 2HG PRO 48 1HG PRO 48 -6.448 2.811 -12.941 367 1HD PRO 48 2HD PRO 48 -4.942 4.273 -11.186 368 2HD PRO 48 1HD PRO 48 -4.830 4.434 -12.954 369 H ALA 49 H ALA 49 -8.605 8.001 -11.443 370 HA ALA 49 HA ALA 49 -8.746 7.962 -8.736 371 1HB ALA 49 1HB ALA 49 -9.782 9.698 -10.012 372 2HB ALA 49 2HB ALA 49 -11.069 8.977 -9.046 373 3HB ALA 49 3HB ALA 49 -10.914 8.566 -10.752 374 HA PRO 50 HA PRO 50 -10.681 4.134 -7.653 375 1HB PRO 50 2HB PRO 50 -10.961 4.634 -4.978 376 2HB PRO 50 1HB PRO 50 -9.411 4.197 -5.727 377 1HG PRO 50 2HG PRO 50 -10.427 6.876 -4.908 378 2HG PRO 50 1HG PRO 50 -8.791 6.204 -4.795 379 1HD PRO 50 2HD PRO 50 -9.570 7.965 -6.738 380 2HD PRO 50 1HD PRO 50 -8.267 6.774 -6.951 381 H ASP 51 H ASP 51 -12.764 3.396 -6.867 382 HA ASP 51 HA ASP 51 -14.901 5.426 -7.232 383 1HB ASP 51 2HB ASP 51 -14.742 3.268 -8.521 384 2HB ASP 51 1HB ASP 51 -15.010 2.407 -7.005 385 H GLY 52 H GLY 52 -13.902 2.878 -4.929 386 1HA GLY 52 2HA GLY 52 -14.312 4.116 -2.535 387 2HA GLY 52 1HA GLY 52 -15.961 3.694 -3.001 388 H GLU 53 H GLU 53 -15.649 1.231 -4.172 389 HA GLU 53 HA GLU 53 -14.933 -0.443 -1.840 390 1HB GLU 53 2HB GLU 53 -16.855 -0.426 -3.979 391 2HB GLU 53 1HB GLU 53 -15.955 -1.942 -4.026 392 1HG GLU 53 2HG GLU 53 -17.976 -2.050 -2.554 393 2HG GLU 53 1HG GLU 53 -16.475 -2.381 -1.691 394 H GLU 54 H GLU 54 -13.276 0.748 -4.419 395 HA GLU 54 HA GLU 54 -11.972 -1.686 -5.376 396 1HB GLU 54 2HB GLU 54 -10.794 -0.148 -6.780 397 2HB GLU 54 1HB GLU 54 -12.412 0.527 -6.600 398 1HG GLU 54 2HG GLU 54 -11.207 2.416 -6.090 399 2HG GLU 54 1HG GLU 54 -11.246 1.695 -4.481 400 H ASP 55 H ASP 55 -10.379 -2.719 -4.242 401 HA ASP 55 HA ASP 55 -8.592 -1.074 -2.481 402 1HB ASP 55 2HB ASP 55 -9.534 -3.892 -1.902 403 2HB ASP 55 1HB ASP 55 -8.791 -2.746 -0.784 404 H THR 56 H THR 56 -8.742 -2.959 -5.191 405 HA THR 56 HA THR 56 -5.877 -3.784 -4.907 406 HB THR 56 HB THR 56 -6.479 -5.966 -5.891 407 HG1 THR 56 HG1 THR 56 -8.331 -6.179 -6.822 408 1HG2 THR 56 1HG2 THR 56 -8.502 -5.744 -3.733 409 2HG2 THR 56 2HG2 THR 56 -6.869 -5.217 -3.321 410 3HG2 THR 56 3HG2 THR 56 -7.147 -6.861 -3.896 411 H ALA 57 H ALA 57 -5.058 -4.466 -7.223 412 HA ALA 57 HA ALA 57 -6.414 -2.817 -9.327 413 1HB ALA 57 1HB ALA 57 -4.103 -2.042 -9.953 414 2HB ALA 57 2HB ALA 57 -3.496 -2.852 -8.508 415 3HB ALA 57 3HB ALA 57 -4.621 -1.501 -8.356 416 H GLU 58 H GLU 58 -6.249 -3.657 -11.423 417 HA GLU 58 HA GLU 58 -5.145 -6.426 -11.654 418 1HB GLU 58 2HB GLU 58 -7.542 -5.123 -12.399 419 2HB GLU 58 1HB GLU 58 -6.684 -5.466 -13.903 420 1HG GLU 58 2HG GLU 58 -6.566 -7.799 -13.422 421 2HG GLU 58 1HG GLU 58 -7.050 -7.549 -11.744 422 H LEU 59 H LEU 59 -2.913 -5.544 -11.889 423 HA LEU 59 HA LEU 59 -2.271 -3.871 -14.193 424 1HB LEU 59 2HB LEU 59 -0.600 -5.596 -12.328 425 2HB LEU 59 1HB LEU 59 0.051 -4.403 -13.453 426 HG LEU 59 HG LEU 59 -1.760 -3.881 -11.083 427 1HD1 LEU 59 1HD1 LEU 59 0.100 -3.131 -10.018 428 2HD1 LEU 59 2HD1 LEU 59 0.736 -2.365 -11.474 429 3HD1 LEU 59 3HD1 LEU 59 0.976 -4.092 -11.210 430 1HD2 LEU 59 1HD2 LEU 59 -0.989 -1.432 -12.100 431 2HD2 LEU 59 2HD2 LEU 59 -2.566 -2.176 -12.351 432 3HD2 LEU 59 3HD2 LEU 59 -1.299 -2.367 -13.562 433 H GLN 60 H GLN 60 -2.610 -4.814 -16.190 434 HA GLN 60 HA GLN 60 -1.563 -7.589 -16.542 435 1HB GLN 60 2HB GLN 60 -4.084 -6.464 -17.754 436 2HB GLN 60 1HB GLN 60 -3.584 -8.152 -17.690 437 1HG GLN 60 2HG GLN 60 -3.917 -8.255 -15.304 438 2HG GLN 60 1HG GLN 60 -4.107 -6.503 -15.192 439 1HE2 GLN 60 1HE2 GLN 60 -5.977 -5.698 -16.819 440 2HE2 GLN 60 2HE2 GLN 60 -7.413 -6.602 -16.735 441 H GLY 61 H GLY 61 -0.063 -7.664 -18.140 442 1HA GLY 61 2HA GLY 61 0.413 -7.342 -20.556 443 2HA GLY 61 1HA GLY 61 -0.302 -5.734 -20.412 444 H LEU 62 H LEU 62 2.405 -7.695 -19.121 445 HA LEU 62 HA LEU 62 4.029 -5.166 -19.030 446 1HB LEU 62 2HB LEU 62 4.493 -7.441 -17.123 447 2HB LEU 62 1HB LEU 62 4.786 -5.720 -16.887 448 HG LEU 62 HG LEU 62 2.017 -6.945 -17.094 449 1HD1 LEU 62 1HD1 LEU 62 3.916 -6.681 -14.844 450 2HD1 LEU 62 2HD1 LEU 62 2.548 -7.775 -15.047 451 3HD1 LEU 62 3HD1 LEU 62 2.279 -6.115 -14.516 452 1HD2 LEU 62 1HD2 LEU 62 1.725 -4.618 -15.754 453 2HD2 LEU 62 2HD2 LEU 62 1.654 -4.704 -17.515 454 3HD2 LEU 62 3HD2 LEU 62 3.146 -4.205 -16.716 455 H ARG 63 H ARG 63 6.398 -6.573 -18.169 456 HA ARG 63 HA ARG 63 7.069 -8.055 -20.689 457 1HB ARG 63 2HB ARG 63 8.268 -5.916 -19.147 458 2HB ARG 63 1HB ARG 63 9.389 -7.271 -19.269 459 1HG ARG 63 2HG ARG 63 9.775 -5.882 -21.194 460 2HG ARG 63 1HG ARG 63 8.907 -7.310 -21.761 461 1HD ARG 63 2HD ARG 63 6.846 -5.587 -21.061 462 2HD ARG 63 1HD ARG 63 8.056 -4.506 -21.784 463 HE ARG 63 HE ARG 63 6.863 -6.881 -23.139 464 1HH1 ARG 63 1HH2 ARG 63 9.751 -5.383 -23.438 465 2HH1 ARG 63 2HH2 ARG 63 9.486 -4.708 -25.011 466 1HH2 ARG 63 1HH1 ARG 63 6.101 -5.441 -25.051 467 2HH2 ARG 63 2HH1 ARG 63 7.424 -4.742 -25.925 468 HA PRO 64 HA PRO 64 7.642 -11.551 -18.061 469 1HB PRO 64 2HB PRO 64 8.817 -13.203 -19.886 470 2HB PRO 64 1HB PRO 64 7.085 -12.820 -19.900 471 1HG PRO 64 2HG PRO 64 9.254 -11.807 -21.641 472 2HG PRO 64 1HG PRO 64 7.540 -12.060 -21.998 473 1HD PRO 64 2HD PRO 64 8.747 -9.602 -21.444 474 2HD PRO 64 1HD PRO 64 7.004 -9.936 -21.412 475 H GLY 65 H GLY 65 9.333 -12.506 -16.852 476 1HA GLY 65 2HA GLY 65 11.483 -12.737 -15.958 477 2HA GLY 65 1HA GLY 65 12.091 -12.490 -17.594 478 H SER 66 H SER 66 10.552 -10.551 -15.007 479 HA SER 66 HA SER 66 12.776 -8.678 -14.941 480 1HB SER 66 2HB SER 66 11.666 -6.835 -16.044 481 2HB SER 66 1HB SER 66 11.592 -8.220 -17.129 482 HG SER 66 HG SER 66 9.561 -7.351 -15.334 483 H GLU 67 H GLU 67 12.727 -7.739 -12.928 484 HA GLU 67 HA GLU 67 10.374 -8.134 -11.208 485 1HB GLU 67 2HB GLU 67 12.763 -8.454 -10.508 486 2HB GLU 67 1HB GLU 67 13.008 -6.718 -10.713 487 1HG GLU 67 2HG GLU 67 12.191 -6.357 -8.647 488 2HG GLU 67 1HG GLU 67 10.657 -7.080 -9.135 489 H TYR 68 H TYR 68 8.733 -6.706 -11.816 490 HA TYR 68 HA TYR 68 9.304 -3.939 -12.560 491 1HB TYR 68 2HB TYR 68 7.070 -5.826 -12.446 492 2HB TYR 68 1HB TYR 68 6.596 -4.183 -12.013 493 HD1 TYR 68 HD1 TYR 68 7.600 -6.405 -14.693 494 HD2 TYR 68 HD2 TYR 68 7.156 -2.282 -13.580 495 HE1 TYR 68 HE1 TYR 68 7.679 -5.748 -17.083 496 HE2 TYR 68 HE2 TYR 68 7.233 -1.627 -15.967 497 HH TYR 68 HH TYR 68 6.923 -3.868 -18.496 498 H THR 69 H THR 69 9.763 -2.388 -11.076 499 HA THR 69 HA THR 69 9.092 -2.755 -8.229 500 HB THR 69 HB THR 69 10.224 -0.230 -9.356 501 HG1 THR 69 HG1 THR 69 11.655 -2.676 -9.290 502 1HG2 THR 69 1HG2 THR 69 10.014 -0.792 -6.893 503 2HG2 THR 69 2HG2 THR 69 11.641 -0.362 -7.423 504 3HG2 THR 69 3HG2 THR 69 11.219 -2.054 -7.158 505 H VAL 70 H VAL 70 6.811 -2.518 -8.091 506 HA VAL 70 HA VAL 70 5.595 -0.053 -9.236 507 HB VAL 70 HB VAL 70 4.290 -2.412 -7.861 508 1HG1 VAL 70 1HG1 VAL 70 3.362 0.030 -9.096 509 2HG1 VAL 70 2HG1 VAL 70 2.430 -1.209 -8.258 510 3HG1 VAL 70 3HG1 VAL 70 2.750 -1.366 -9.984 511 1HG2 VAL 70 1HG2 VAL 70 5.760 -3.148 -9.742 512 2HG2 VAL 70 2HG2 VAL 70 4.890 -2.051 -10.815 513 3HG2 VAL 70 3HG2 VAL 70 4.048 -3.415 -10.078 514 H SER 71 H SER 71 4.895 1.600 -7.938 515 HA SER 71 HA SER 71 5.040 1.202 -4.958 516 1HB SER 71 2HB SER 71 6.134 3.165 -6.826 517 2HB SER 71 1HB SER 71 5.227 3.928 -5.524 518 HG SER 71 HG SER 71 7.657 2.810 -5.459 519 H VAL 72 H VAL 72 3.109 1.506 -3.909 520 HA VAL 72 HA VAL 72 0.838 2.653 -5.482 521 HB VAL 72 HB VAL 72 1.146 0.849 -3.083 522 1HG1 VAL 72 1HG1 VAL 72 -1.419 0.900 -3.026 523 2HG1 VAL 72 2HG1 VAL 72 -1.303 2.399 -3.947 524 3HG1 VAL 72 3HG1 VAL 72 -0.594 2.297 -2.335 525 1HG2 VAL 72 1HG2 VAL 72 0.403 -0.778 -4.504 526 2HG2 VAL 72 2HG2 VAL 72 0.879 0.354 -5.772 527 3HG2 VAL 72 3HG2 VAL 72 -0.800 0.285 -5.237 528 H VAL 73 H VAL 73 -0.070 4.618 -4.898 529 HA VAL 73 HA VAL 73 0.648 5.779 -2.232 530 HB VAL 73 HB VAL 73 0.758 7.358 -4.805 531 1HG1 VAL 73 1HG1 VAL 73 0.703 8.373 -2.427 532 2HG1 VAL 73 2HG1 VAL 73 1.973 8.925 -3.519 533 3HG1 VAL 73 3HG1 VAL 73 2.340 7.740 -2.265 534 1HG2 VAL 73 1HG2 VAL 73 2.369 5.701 -5.276 535 2HG2 VAL 73 2HG2 VAL 73 2.839 5.547 -3.584 536 3HG2 VAL 73 3HG2 VAL 73 3.320 6.971 -4.507 537 H ALA 74 H ALA 74 -1.018 6.944 -1.319 538 HA ALA 74 HA ALA 74 -3.605 7.034 -2.791 539 1HB ALA 74 1HB ALA 74 -4.523 7.403 -0.562 540 2HB ALA 74 2HB ALA 74 -2.913 7.705 0.088 541 3HB ALA 74 3HB ALA 74 -3.350 6.091 -0.468 542 H LEU 75 H LEU 75 -4.915 9.143 -2.479 543 HA LEU 75 HA LEU 75 -3.107 11.526 -2.339 544 1HB LEU 75 2HB LEU 75 -5.166 10.899 -4.464 545 2HB LEU 75 1HB LEU 75 -4.214 12.376 -4.374 546 HG LEU 75 HG LEU 75 -3.020 9.606 -4.570 547 1HD1 LEU 75 1HD1 LEU 75 -4.087 11.463 -6.600 548 2HD1 LEU 75 2HD1 LEU 75 -3.750 9.735 -6.720 549 3HD1 LEU 75 3HD1 LEU 75 -2.445 10.904 -6.920 550 1HD2 LEU 75 1HD2 LEU 75 -1.387 11.821 -5.463 551 2HD2 LEU 75 2HD2 LEU 75 -1.055 10.652 -4.187 552 3HD2 LEU 75 3HD2 LEU 75 -1.958 12.124 -3.822 553 H HIS 76 H HIS 76 -4.135 13.465 -1.762 554 HA HIS 76 HA HIS 76 -6.962 13.285 -0.775 555 1HB HIS 76 2HB HIS 76 -4.815 13.245 0.838 556 2HB HIS 76 1HB HIS 76 -4.897 14.983 0.576 557 HD1 HIS 76 HD1 HIS 76 -5.541 13.595 3.330 558 HD2 HIS 76 HD2 HIS 76 -8.381 14.794 0.526 559 HE1 HIS 76 HE1 HIS 76 -7.705 13.929 4.601 560 H ASP 77 H ASP 77 -6.782 16.097 0.078 561 HA ASP 77 HA ASP 77 -7.615 17.495 -2.182 562 1HB ASP 77 2HB ASP 77 -5.953 18.531 0.142 563 2HB ASP 77 1HB ASP 77 -7.049 19.489 -0.855 564 H ASP 78 H ASP 78 -4.405 16.579 -1.166 565 HA ASP 78 HA ASP 78 -3.093 16.785 -3.631 566 1HB ASP 78 2HB ASP 78 -3.778 19.335 -2.482 567 2HB ASP 78 1HB ASP 78 -2.022 19.174 -2.495 568 H MET 79 H MET 79 -2.648 14.959 -1.744 569 HA MET 79 HA MET 79 -0.211 15.823 -0.238 570 1HB MET 79 2HB MET 79 -2.357 15.105 0.954 571 2HB MET 79 1HB MET 79 -2.039 13.484 0.333 572 1HG MET 79 2HG MET 79 -0.685 13.155 2.087 573 2HG MET 79 1HG MET 79 0.400 14.362 1.404 574 1HE MET 79 1HE MET 79 0.162 14.525 5.111 575 2HE MET 79 2HE MET 79 1.083 15.775 4.279 576 3HE MET 79 3HE MET 79 1.071 14.133 3.643 577 H GLU 80 H GLU 80 1.514 14.263 -0.082 578 HA GLU 80 HA GLU 80 1.506 12.148 -2.208 579 1HB GLU 80 2HB GLU 80 3.484 14.247 -1.359 580 2HB GLU 80 1HB GLU 80 4.093 12.726 -2.015 581 1HG GLU 80 2HG GLU 80 1.893 13.741 -3.617 582 2HG GLU 80 1HG GLU 80 3.188 14.933 -3.490 583 H SER 81 H SER 81 0.550 11.331 0.145 584 HA SER 81 HA SER 81 2.078 10.742 2.365 585 1HB SER 81 2HB SER 81 -0.332 10.049 1.500 586 2HB SER 81 1HB SER 81 0.489 8.541 1.105 587 HG SER 81 HG SER 81 1.351 8.987 3.436 588 H GLN 82 H GLN 82 3.380 8.887 2.983 589 HA GLN 82 HA GLN 82 5.597 8.266 1.497 590 1HB GLN 82 2HB GLN 82 4.004 6.976 3.630 591 2HB GLN 82 1HB GLN 82 5.138 5.914 2.795 592 1HG GLN 82 2HG GLN 82 6.866 6.826 3.904 593 2HG GLN 82 1HG GLN 82 6.424 8.431 3.322 594 1HE2 GLN 82 1HE2 GLN 82 4.701 9.597 4.619 595 2HE2 GLN 82 2HE2 GLN 82 4.582 9.276 6.279 596 HA PRO 83 HA PRO 83 3.797 6.097 -1.939 597 1HB PRO 83 2HB PRO 83 6.154 5.533 -3.200 598 2HB PRO 83 1HB PRO 83 5.376 7.129 -3.261 599 1HG PRO 83 2HG PRO 83 7.656 6.201 -1.574 600 2HG PRO 83 1HG PRO 83 7.412 7.756 -2.387 601 1HD PRO 83 2HD PRO 83 6.979 7.383 0.280 602 2HD PRO 83 1HD PRO 83 6.103 8.588 -0.692 603 H LEU 84 H LEU 84 3.048 4.112 -1.310 604 HA LEU 84 HA LEU 84 4.404 2.162 0.220 605 1HB LEU 84 2HB LEU 84 1.935 2.467 -0.418 606 2HB LEU 84 1HB LEU 84 2.341 1.625 -1.911 607 HG LEU 84 HG LEU 84 3.109 -0.317 -0.661 608 1HD1 LEU 84 1HD1 LEU 84 4.064 0.650 1.299 609 2HD1 LEU 84 2HD1 LEU 84 2.680 -0.284 1.868 610 3HD1 LEU 84 3HD1 LEU 84 2.559 1.468 1.717 611 1HD2 LEU 84 1HD2 LEU 84 0.413 0.774 0.186 612 2HD2 LEU 84 2HD2 LEU 84 0.926 -0.879 0.511 613 3HD2 LEU 84 3HD2 LEU 84 0.753 -0.323 -1.152 614 H ILE 85 H ILE 85 5.307 0.093 -0.483 615 HA ILE 85 HA ILE 85 6.575 0.257 -3.192 616 HB ILE 85 HB ILE 85 7.424 -0.840 -0.512 617 1HG1 ILE 85 2HG1 ILE 85 7.720 1.607 -1.201 618 2HG1 ILE 85 1HG1 ILE 85 9.185 0.760 -0.705 619 1HG2 ILE 85 1HG2 ILE 85 8.748 -1.258 -3.212 620 2HG2 ILE 85 2HG2 ILE 85 8.008 -2.513 -2.219 621 3HG2 ILE 85 3HG2 ILE 85 9.459 -1.682 -1.654 622 1HD1 ILE 85 1HD1 ILE 85 8.622 0.450 -3.558 623 2HD1 ILE 85 2HD1 ILE 85 10.113 0.953 -2.759 624 3HD1 ILE 85 3HD1 ILE 85 8.846 2.135 -3.091 625 H GLY 86 H GLY 86 6.168 -1.410 -4.589 626 1HA GLY 86 2HA GLY 86 5.189 -3.999 -3.521 627 2HA GLY 86 1HA GLY 86 4.162 -3.154 -4.678 628 H THR 87 H THR 87 7.392 -4.548 -4.258 629 HA THR 87 HA THR 87 7.797 -4.543 -7.202 630 HB THR 87 HB THR 87 9.682 -5.615 -5.111 631 HG1 THR 87 HG1 THR 87 10.140 -3.649 -4.452 632 1HG2 THR 87 1HG2 THR 87 10.384 -3.895 -7.462 633 2HG2 THR 87 2HG2 THR 87 9.976 -5.589 -7.728 634 3HG2 THR 87 3HG2 THR 87 11.331 -5.163 -6.685 635 H GLN 88 H GLN 88 8.172 -6.512 -8.355 636 HA GLN 88 HA GLN 88 7.975 -9.111 -7.018 637 1HB GLN 88 2HB GLN 88 5.637 -7.671 -7.889 638 2HB GLN 88 1HB GLN 88 5.815 -9.136 -8.858 639 1HG GLN 88 2HG GLN 88 5.727 -8.957 -5.835 640 2HG GLN 88 1HG GLN 88 4.520 -9.693 -6.888 641 1HE2 GLN 88 1HE2 GLN 88 5.061 -11.762 -7.901 642 2HE2 GLN 88 2HE2 GLN 88 6.366 -12.699 -7.352 643 H SER 89 H SER 89 8.627 -10.788 -8.432 644 HA SER 89 HA SER 89 9.754 -9.875 -11.026 645 1HB SER 89 2HB SER 89 11.344 -11.029 -9.758 646 2HB SER 89 1HB SER 89 10.152 -12.149 -9.106 647 HG SER 89 HG SER 89 11.213 -12.047 -11.737 648 H THR 90 H THR 90 8.382 -10.112 -12.752 649 HA THR 90 HA THR 90 6.000 -11.481 -12.994 650 HB THR 90 HB THR 90 7.117 -11.881 -15.455 651 HG1 THR 90 HG1 THR 90 8.720 -10.359 -15.724 652 1HG2 THR 90 1HG2 THR 90 5.727 -9.712 -14.062 653 2HG2 THR 90 2HG2 THR 90 5.436 -10.385 -15.667 654 3HG2 THR 90 3HG2 THR 90 6.677 -9.153 -15.438 655 H ALA 91 H ALA 91 5.366 -13.637 -13.507 656 HA ALA 91 HA ALA 91 7.391 -15.704 -12.865 657 1HB ALA 91 1HB ALA 91 4.385 -15.602 -13.103 658 2HB ALA 91 2HB ALA 91 5.348 -15.870 -11.650 659 3HB ALA 91 3HB ALA 91 5.244 -17.124 -12.883 660 H ILE 92 H ILE 92 7.508 -14.335 -15.385 661 HA ILE 92 HA ILE 92 7.543 -14.702 -17.727 662 HB ILE 92 HB ILE 92 8.849 -16.867 -18.139 663 1HG1 ILE 92 2HG1 ILE 92 9.799 -17.874 -16.006 664 2HG1 ILE 92 1HG1 ILE 92 8.511 -17.084 -15.131 665 1HG2 ILE 92 1HG2 ILE 92 10.450 -15.332 -17.849 666 2HG2 ILE 92 2HG2 ILE 92 10.525 -15.829 -16.160 667 3HG2 ILE 92 3HG2 ILE 92 9.490 -14.482 -16.641 668 1HD1 ILE 92 1HD1 ILE 92 8.264 -19.219 -17.250 669 2HD1 ILE 92 2HD1 ILE 92 6.886 -18.292 -16.685 670 3HD1 ILE 92 3HD1 ILE 92 7.762 -19.318 -15.565 671 HA PRO 93 HA PRO 93 4.296 -17.172 -19.313 672 1HB PRO 93 2HB PRO 93 5.163 -17.740 -21.837 673 2HB PRO 93 1HB PRO 93 4.696 -16.110 -21.318 674 1HG PRO 93 2HG PRO 93 7.364 -17.188 -21.885 675 2HG PRO 93 1HG PRO 93 6.819 -15.507 -21.814 676 1HD PRO 93 2HD PRO 93 8.242 -16.992 -19.814 677 2HD PRO 93 1HD PRO 93 7.718 -15.297 -19.751 678 H ALA 94 H ALA 94 4.144 -19.168 -18.218 679 HA ALA 94 HA ALA 94 6.028 -21.354 -18.911 680 1HB ALA 94 1HB ALA 94 5.152 -20.640 -16.567 681 2HB ALA 94 2HB ALA 94 5.197 -22.363 -16.940 682 3HB ALA 94 3HB ALA 94 3.673 -21.481 -17.031 Start of MODEL 5 1 1H ASN 1 1H ASN 1 -8.619 12.970 7.540 2 2H ASN 1 2H ASN 1 -8.387 14.165 6.355 3 3H ASN 1 3H ASN 1 -7.899 14.447 7.958 4 HA ASN 1 HA ASN 1 -6.061 13.862 6.328 5 1HB ASN 1 2HB ASN 1 -6.552 13.445 9.026 6 2HB ASN 1 1HB ASN 1 -5.980 11.868 8.481 7 1HD2 ASN 1 1HD2 ASN 1 -4.984 15.086 9.276 8 2HD2 ASN 1 2HD2 ASN 1 -3.358 14.925 8.812 9 H ILE 2 H ILE 2 -5.199 12.213 5.011 10 HA ILE 2 HA ILE 2 -7.015 10.169 4.057 11 HB ILE 2 HB ILE 2 -5.217 11.397 2.773 12 1HG1 ILE 2 2HG1 ILE 2 -4.471 8.552 2.446 13 2HG1 ILE 2 1HG1 ILE 2 -6.206 8.870 2.423 14 1HG2 ILE 2 1HG2 ILE 2 -3.497 9.672 4.548 15 2HG2 ILE 2 2HG2 ILE 2 -3.359 11.399 4.228 16 3HG2 ILE 2 3HG2 ILE 2 -2.919 10.233 2.980 17 1HD1 ILE 2 1HD1 ILE 2 -5.054 9.007 0.164 18 2HD1 ILE 2 2HD1 ILE 2 -4.231 10.447 0.763 19 3HD1 ILE 2 3HD1 ILE 2 -5.990 10.428 0.620 20 H ASP 3 H ASP 3 -5.970 7.793 3.898 21 HA ASP 3 HA ASP 3 -5.665 6.884 6.674 22 1HB ASP 3 2HB ASP 3 -7.198 5.834 5.043 23 2HB ASP 3 1HB ASP 3 -5.815 5.416 4.031 24 H ARG 4 H ARG 4 -3.681 7.073 3.745 25 HA ARG 4 HA ARG 4 -1.369 6.635 3.442 26 1HB ARG 4 2HB ARG 4 -1.863 7.760 6.064 27 2HB ARG 4 1HB ARG 4 -0.487 6.660 6.134 28 1HG ARG 4 2HG ARG 4 0.434 7.843 4.086 29 2HG ARG 4 1HG ARG 4 -0.840 9.043 4.299 30 1HD ARG 4 2HD ARG 4 1.107 8.322 6.516 31 2HD ARG 4 1HD ARG 4 1.377 9.663 5.385 32 HE ARG 4 HE ARG 4 -1.217 10.069 6.247 33 1HH1 ARG 4 1HH2 ARG 4 -0.617 8.795 8.817 34 2HH1 ARG 4 2HH2 ARG 4 0.059 10.085 9.756 35 1HH2 ARG 4 1HH1 ARG 4 0.718 12.095 7.008 36 2HH2 ARG 4 2HH1 ARG 4 0.815 11.952 8.731 37 HA PRO 5 HA PRO 5 -2.097 2.262 4.685 38 1HB PRO 5 2HB PRO 5 -1.459 1.207 2.245 39 2HB PRO 5 1HB PRO 5 -3.081 1.804 2.653 40 1HG PRO 5 2HG PRO 5 -0.918 3.124 1.091 41 2HG PRO 5 1HG PRO 5 -2.669 3.124 0.823 42 1HD PRO 5 2HD PRO 5 -1.325 5.211 1.961 43 2HD PRO 5 1HD PRO 5 -3.030 4.841 2.299 44 H LYS 6 H LYS 6 -0.498 0.337 4.277 45 HA LYS 6 HA LYS 6 2.260 0.850 3.624 46 1HB LYS 6 2HB LYS 6 1.242 1.476 6.328 47 2HB LYS 6 1HB LYS 6 2.703 0.485 6.306 48 1HG LYS 6 2HG LYS 6 3.165 2.432 4.358 49 2HG LYS 6 1HG LYS 6 2.389 3.308 5.678 50 1HD LYS 6 2HD LYS 6 4.205 1.571 6.930 51 2HD LYS 6 1HD LYS 6 5.074 2.220 5.538 52 1HE LYS 6 2HE LYS 6 3.484 4.073 7.310 53 2HE LYS 6 1HE LYS 6 5.133 3.593 7.759 54 1HZ LYS 6 1HZ LYS 6 5.705 4.138 5.352 55 2HZ LYS 6 2HZ LYS 6 5.435 5.450 6.396 56 3HZ LYS 6 3HZ LYS 6 4.228 4.969 5.302 57 H GLY 7 H GLY 7 3.179 -1.160 3.294 58 1HA GLY 7 2HA GLY 7 3.628 -3.465 3.730 59 2HA GLY 7 1HA GLY 7 2.361 -3.451 4.958 60 H LEU 8 H LEU 8 2.272 -2.539 1.518 61 HA LEU 8 HA LEU 8 -0.283 -3.422 0.894 62 1HB LEU 8 2HB LEU 8 0.421 -3.136 -1.316 63 2HB LEU 8 1HB LEU 8 1.679 -2.257 -0.451 64 HG LEU 8 HG LEU 8 2.730 -4.766 -0.414 65 1HD1 LEU 8 1HD1 LEU 8 0.675 -4.691 -2.500 66 2HD1 LEU 8 2HD1 LEU 8 1.541 -6.072 -1.824 67 3HD1 LEU 8 3HD1 LEU 8 2.267 -5.126 -3.122 68 1HD2 LEU 8 1HD2 LEU 8 4.333 -3.892 -1.845 69 2HD2 LEU 8 2HD2 LEU 8 3.519 -2.404 -1.363 70 3HD2 LEU 8 3HD2 LEU 8 3.134 -3.159 -2.910 71 H ALA 9 H ALA 9 -0.665 -5.401 -0.703 72 HA ALA 9 HA ALA 9 0.724 -7.841 0.337 73 1HB ALA 9 1HB ALA 9 -1.185 -8.174 1.529 74 2HB ALA 9 2HB ALA 9 -1.911 -8.597 -0.021 75 3HB ALA 9 3HB ALA 9 -2.067 -6.957 0.608 76 H PHE 10 H PHE 10 0.440 -9.719 -1.151 77 HA PHE 10 HA PHE 10 -0.051 -8.834 -3.978 78 1HB PHE 10 2HB PHE 10 1.934 -10.689 -2.666 79 2HB PHE 10 1HB PHE 10 1.609 -10.780 -4.397 80 HD1 PHE 10 HD1 PHE 10 2.770 -9.382 -5.863 81 HD2 PHE 10 HD2 PHE 10 2.453 -8.292 -1.722 82 HE1 PHE 10 HE1 PHE 10 4.277 -7.454 -6.254 83 HE2 PHE 10 HE2 PHE 10 3.962 -6.363 -2.113 84 HZ PHE 10 HZ PHE 10 4.874 -5.944 -4.381 85 H THR 11 H THR 11 -1.498 -10.064 -5.174 86 HA THR 11 HA THR 11 -2.744 -12.402 -3.807 87 HB THR 11 HB THR 11 -3.704 -10.597 -6.045 88 HG1 THR 11 HG1 THR 11 -4.795 -10.577 -3.486 89 1HG2 THR 11 1HG2 THR 11 -5.141 -12.626 -4.329 90 2HG2 THR 11 2HG2 THR 11 -4.754 -12.806 -6.041 91 3HG2 THR 11 3HG2 THR 11 -5.899 -11.571 -5.520 92 H ASP 12 H ASP 12 -1.738 -11.266 -7.060 93 HA ASP 12 HA ASP 12 -0.866 -14.008 -7.736 94 1HB ASP 12 2HB ASP 12 -3.431 -13.041 -8.331 95 2HB ASP 12 1HB ASP 12 -2.535 -12.907 -9.845 96 H VAL 13 H VAL 13 0.925 -13.907 -9.099 97 HA VAL 13 HA VAL 13 1.483 -11.280 -10.415 98 HB VAL 13 HB VAL 13 2.886 -11.831 -8.446 99 1HG1 VAL 13 1HG1 VAL 13 2.704 -14.418 -9.388 100 2HG1 VAL 13 2HG1 VAL 13 3.836 -13.871 -8.150 101 3HG1 VAL 13 3HG1 VAL 13 4.350 -13.970 -9.835 102 1HG2 VAL 13 1HG2 VAL 13 5.125 -11.912 -9.855 103 2HG2 VAL 13 2HG2 VAL 13 4.086 -10.489 -9.915 104 3HG2 VAL 13 3HG2 VAL 13 4.026 -11.682 -11.214 105 H ASP 14 H ASP 14 1.907 -11.370 -12.603 106 HA ASP 14 HA ASP 14 2.732 -13.950 -13.842 107 1HB ASP 14 2HB ASP 14 0.183 -13.643 -13.712 108 2HB ASP 14 1HB ASP 14 0.400 -12.324 -14.862 109 H VAL 15 H VAL 15 3.961 -13.608 -15.758 110 HA VAL 15 HA VAL 15 5.396 -11.255 -16.137 111 HB VAL 15 HB VAL 15 5.990 -13.350 -17.184 112 1HG1 VAL 15 1HG1 VAL 15 3.709 -13.140 -19.115 113 2HG1 VAL 15 2HG1 VAL 15 3.422 -13.853 -17.529 114 3HG1 VAL 15 3HG1 VAL 15 4.617 -14.564 -18.612 115 1HG2 VAL 15 1HG2 VAL 15 5.148 -11.388 -19.329 116 2HG2 VAL 15 2HG2 VAL 15 6.405 -12.617 -19.470 117 3HG2 VAL 15 3HG2 VAL 15 6.618 -11.260 -18.368 118 H ASP 16 H ASP 16 2.176 -12.060 -17.348 119 HA ASP 16 HA ASP 16 2.007 -9.302 -18.530 120 1HB ASP 16 2HB ASP 16 0.482 -10.318 -20.180 121 2HB ASP 16 1HB ASP 16 2.020 -11.181 -20.166 122 H SER 17 H SER 17 1.371 -9.964 -15.762 123 HA SER 17 HA SER 17 -1.158 -8.708 -15.461 124 1HB SER 17 2HB SER 17 -2.244 -10.549 -16.425 125 2HB SER 17 1HB SER 17 -1.130 -11.707 -15.706 126 HG SER 17 HG SER 17 -2.062 -11.231 -13.684 127 H ILE 18 H ILE 18 -0.576 -7.756 -13.538 128 HA ILE 18 HA ILE 18 0.359 -9.555 -11.321 129 HB ILE 18 HB ILE 18 1.073 -6.671 -11.945 130 1HG1 ILE 18 2HG1 ILE 18 2.043 -8.556 -13.412 131 2HG1 ILE 18 1HG1 ILE 18 3.204 -7.477 -12.641 132 1HG2 ILE 18 1HG2 ILE 18 1.379 -8.359 -9.559 133 2HG2 ILE 18 2HG2 ILE 18 1.512 -6.608 -9.723 134 3HG2 ILE 18 3HG2 ILE 18 2.891 -7.637 -10.108 135 1HD1 ILE 18 1HD1 ILE 18 3.346 -10.191 -12.489 136 2HD1 ILE 18 2HD1 ILE 18 2.413 -9.834 -11.038 137 3HD1 ILE 18 3HD1 ILE 18 4.003 -9.111 -11.260 138 H LYS 19 H LYS 19 -1.601 -9.781 -10.189 139 HA LYS 19 HA LYS 19 -3.296 -7.395 -9.724 140 1HB LYS 19 2HB LYS 19 -4.380 -9.422 -10.410 141 2HB LYS 19 1HB LYS 19 -3.504 -10.368 -9.208 142 1HG LYS 19 2HG LYS 19 -4.655 -8.774 -7.484 143 2HG LYS 19 1HG LYS 19 -5.780 -8.449 -8.805 144 1HD LYS 19 2HD LYS 19 -5.676 -11.138 -8.966 145 2HD LYS 19 1HD LYS 19 -5.370 -10.934 -7.242 146 1HE LYS 19 2HE LYS 19 -7.788 -11.124 -7.591 147 2HE LYS 19 1HE LYS 19 -7.416 -9.449 -7.129 148 1HZ LYS 19 1HZ LYS 19 -8.792 -10.014 -9.303 149 2HZ LYS 19 2HZ LYS 19 -7.230 -10.137 -9.962 150 3HZ LYS 19 3HZ LYS 19 -7.736 -8.689 -9.229 151 H ILE 20 H ILE 20 -2.639 -6.139 -7.997 152 HA ILE 20 HA ILE 20 -1.702 -7.567 -5.520 153 HB ILE 20 HB ILE 20 -0.228 -5.657 -5.178 154 1HG1 ILE 20 2HG1 ILE 20 -1.375 -4.500 -7.736 155 2HG1 ILE 20 1HG1 ILE 20 -1.915 -4.009 -6.130 156 1HG2 ILE 20 1HG2 ILE 20 -0.224 -7.213 -7.671 157 2HG2 ILE 20 2HG2 ILE 20 1.095 -6.895 -6.544 158 3HG2 ILE 20 3HG2 ILE 20 0.691 -5.709 -7.786 159 1HD1 ILE 20 1HD1 ILE 20 1.022 -3.992 -6.743 160 2HD1 ILE 20 2HD1 ILE 20 0.113 -2.994 -5.606 161 3HD1 ILE 20 3HD1 ILE 20 0.015 -2.673 -7.338 162 H ALA 21 H ALA 21 -2.345 -6.557 -3.487 163 HA ALA 21 HA ALA 21 -4.665 -4.663 -3.723 164 1HB ALA 21 1HB ALA 21 -5.906 -6.048 -2.328 165 2HB ALA 21 2HB ALA 21 -4.471 -6.705 -1.540 166 3HB ALA 21 3HB ALA 21 -4.922 -7.255 -3.154 167 H TRP 22 H TRP 22 -4.562 -2.901 -2.313 168 HA TRP 22 HA TRP 22 -2.289 -2.910 -0.339 169 1HB TRP 22 2HB TRP 22 -2.367 -0.432 -0.676 170 2HB TRP 22 1HB TRP 22 -2.045 -1.313 -2.170 171 HD1 TRP 22 HD1 TRP 22 -4.930 0.426 -0.308 172 HE1 TRP 22 HE1 TRP 22 -6.684 1.168 -2.050 173 HE3 TRP 22 HE3 TRP 22 -2.910 -1.632 -4.515 174 HZ2 TRP 22 HZ2 TRP 22 -7.158 0.922 -4.860 175 HZ3 TRP 22 HZ3 TRP 22 -4.030 -1.358 -6.704 176 HH2 TRP 22 HH2 TRP 22 -6.144 -0.088 -6.889 177 H GLU 23 H GLU 23 -2.679 -1.821 1.708 178 HA GLU 23 HA GLU 23 -4.868 -2.516 3.208 179 1HB GLU 23 2HB GLU 23 -2.879 -1.444 4.104 180 2HB GLU 23 1HB GLU 23 -3.261 0.053 3.252 181 1HG GLU 23 2HG GLU 23 -5.142 0.492 4.628 182 2HG GLU 23 1HG GLU 23 -5.178 -1.162 5.240 183 H SER 24 H SER 24 -6.991 -2.289 2.588 184 HA SER 24 HA SER 24 -8.202 -0.534 0.841 185 1HB SER 24 2HB SER 24 -10.206 -1.149 1.937 186 2HB SER 24 1HB SER 24 -9.103 -2.465 2.323 187 HG SER 24 HG SER 24 -10.050 -0.360 3.924 188 HA PRO 25 HA PRO 25 -8.063 3.490 2.579 189 1HB PRO 25 2HB PRO 25 -10.495 4.512 1.863 190 2HB PRO 25 1HB PRO 25 -9.182 4.235 0.700 191 1HG PRO 25 2HG PRO 25 -11.611 2.603 1.231 192 2HG PRO 25 1HG PRO 25 -10.784 2.934 -0.298 193 1HD PRO 25 2HD PRO 25 -10.533 0.588 1.111 194 2HD PRO 25 1HD PRO 25 -9.313 1.207 -0.023 195 H GLN 26 H GLN 26 -8.842 4.746 4.396 196 HA GLN 26 HA GLN 26 -10.886 3.339 6.087 197 1HB GLN 26 2HB GLN 26 -8.226 4.627 6.701 198 2HB GLN 26 1HB GLN 26 -9.426 4.363 7.967 199 1HG GLN 26 2HG GLN 26 -9.202 1.964 6.415 200 2HG GLN 26 1HG GLN 26 -7.583 2.477 6.892 201 1HE2 GLN 26 1HE2 GLN 26 -7.775 3.460 9.390 202 2HE2 GLN 26 2HE2 GLN 26 -8.505 2.364 10.463 203 H GLY 27 H GLY 27 -9.685 6.373 4.817 204 1HA GLY 27 2HA GLY 27 -11.878 7.803 6.272 205 2HA GLY 27 1HA GLY 27 -10.375 8.580 5.768 206 H GLN 28 H GLN 28 -12.026 6.280 3.710 207 HA GLN 28 HA GLN 28 -12.946 6.565 1.551 208 1HB GLN 28 2HB GLN 28 -14.604 7.638 3.157 209 2HB GLN 28 1HB GLN 28 -13.876 9.189 2.739 210 1HG GLN 28 2HG GLN 28 -14.660 9.130 0.554 211 2HG GLN 28 1HG GLN 28 -14.752 7.369 0.529 212 1HE2 GLN 28 1HE2 GLN 28 -16.815 9.777 0.216 213 2HE2 GLN 28 2HE2 GLN 28 -18.133 9.233 1.136 214 H VAL 29 H VAL 29 -10.616 6.905 0.821 215 HA VAL 29 HA VAL 29 -9.502 9.516 0.472 216 HB VAL 29 HB VAL 29 -8.502 7.115 0.360 217 1HG1 VAL 29 1HG1 VAL 29 -9.209 7.495 -2.563 218 2HG1 VAL 29 2HG1 VAL 29 -10.081 6.410 -1.479 219 3HG1 VAL 29 3HG1 VAL 29 -8.379 6.118 -1.837 220 1HG2 VAL 29 1HG2 VAL 29 -7.557 8.877 -1.881 221 2HG2 VAL 29 2HG2 VAL 29 -6.609 7.976 -0.698 222 3HG2 VAL 29 3HG2 VAL 29 -7.453 9.447 -0.216 223 H SER 30 H SER 30 -9.289 10.689 -1.602 224 HA SER 30 HA SER 30 -11.817 10.638 -3.149 225 1HB SER 30 2HB SER 30 -9.604 12.511 -2.536 226 2HB SER 30 1HB SER 30 -10.344 12.705 -4.121 227 HG SER 30 HG SER 30 -12.288 13.067 -3.163 228 H ARG 31 H ARG 31 -8.302 10.336 -3.702 229 HA ARG 31 HA ARG 31 -8.904 8.961 -6.280 230 1HB ARG 31 2HB ARG 31 -7.992 11.612 -5.969 231 2HB ARG 31 1HB ARG 31 -6.594 10.673 -6.490 232 1HG ARG 31 2HG ARG 31 -7.529 10.139 -8.526 233 2HG ARG 31 1HG ARG 31 -9.174 10.167 -7.894 234 1HD ARG 31 2HD ARG 31 -7.536 12.702 -8.133 235 2HD ARG 31 1HD ARG 31 -8.541 12.100 -9.467 236 HE ARG 31 HE ARG 31 -10.112 12.021 -7.102 237 1HH1 ARG 31 1HH1 ARG 31 -10.643 13.433 -9.807 238 2HH1 ARG 31 2HH1 ARG 31 -10.884 15.060 -9.264 239 1HH2 ARG 31 1HH2 ARG 31 -9.529 14.493 -6.123 240 2HH2 ARG 31 2HH2 ARG 31 -10.255 15.660 -7.178 241 H TYR 32 H TYR 32 -6.545 8.276 -7.182 242 HA TYR 32 HA TYR 32 -4.613 7.533 -5.115 243 1HB TYR 32 2HB TYR 32 -6.810 5.959 -5.255 244 2HB TYR 32 1HB TYR 32 -5.817 5.185 -6.491 245 HD1 TYR 32 HD1 TYR 32 -3.188 5.062 -5.728 246 HD2 TYR 32 HD2 TYR 32 -6.598 5.078 -3.114 247 HE1 TYR 32 HE1 TYR 32 -1.836 3.972 -3.958 248 HE2 TYR 32 HE2 TYR 32 -5.245 3.988 -1.344 249 HH TYR 32 HH TYR 32 -2.269 3.995 -1.040 250 H ARG 33 H ARG 33 -2.693 7.696 -6.198 251 HA ARG 33 HA ARG 33 -2.675 7.329 -9.153 252 1HB ARG 33 2HB ARG 33 -1.816 9.397 -7.978 253 2HB ARG 33 1HB ARG 33 -0.544 8.391 -7.280 254 1HG ARG 33 2HG ARG 33 0.555 8.142 -9.282 255 2HG ARG 33 1HG ARG 33 -0.932 8.226 -10.228 256 1HD ARG 33 2HD ARG 33 0.181 10.278 -10.707 257 2HD ARG 33 1HD ARG 33 -1.015 10.719 -9.471 258 HE ARG 33 HE ARG 33 0.818 10.470 -7.776 259 1HH1 ARG 33 1HH1 ARG 33 2.733 9.071 -9.676 260 2HH1 ARG 33 2HH1 ARG 33 3.844 10.349 -10.040 261 1HH2 ARG 33 1HH2 ARG 33 1.759 12.857 -8.867 262 2HH2 ARG 33 2HH2 ARG 33 3.292 12.491 -9.584 263 H VAL 34 H VAL 34 -1.926 5.410 -9.954 264 HA VAL 34 HA VAL 34 -0.209 3.699 -8.187 265 HB VAL 34 HB VAL 34 -1.605 2.901 -10.746 266 1HG1 VAL 34 1HG1 VAL 34 -1.761 0.760 -9.190 267 2HG1 VAL 34 2HG1 VAL 34 -0.412 1.538 -8.361 268 3HG1 VAL 34 3HG1 VAL 34 -0.277 1.123 -10.071 269 1HG2 VAL 34 1HG2 VAL 34 -3.370 3.888 -9.446 270 2HG2 VAL 34 2HG2 VAL 34 -2.760 3.167 -7.956 271 3HG2 VAL 34 3HG2 VAL 34 -3.487 2.146 -9.196 272 H THR 35 H THR 35 1.899 3.234 -8.860 273 HA THR 35 HA THR 35 2.651 4.053 -11.642 274 HB THR 35 HB THR 35 4.843 4.676 -10.091 275 HG1 THR 35 HG1 THR 35 4.208 5.220 -8.170 276 1HG2 THR 35 1HG2 THR 35 2.494 6.322 -11.030 277 2HG2 THR 35 2HG2 THR 35 4.077 6.150 -11.788 278 3HG2 THR 35 3HG2 THR 35 3.914 7.056 -10.283 279 H TYR 36 H TYR 36 4.166 2.740 -12.622 280 HA TYR 36 HA TYR 36 5.557 0.645 -11.026 281 1HB TYR 36 2HB TYR 36 4.791 -0.893 -13.060 282 2HB TYR 36 1HB TYR 36 3.719 -0.645 -11.684 283 HD1 TYR 36 HD1 TYR 36 4.132 -0.241 -15.239 284 HD2 TYR 36 HD2 TYR 36 1.990 1.255 -11.827 285 HE1 TYR 36 HE1 TYR 36 2.426 0.750 -16.743 286 HE2 TYR 36 HE2 TYR 36 0.284 2.245 -13.332 287 HH TYR 36 HH TYR 36 -0.070 1.407 -16.512 288 H SER 37 H SER 37 7.528 -0.055 -12.084 289 HA SER 37 HA SER 37 8.126 1.219 -14.700 290 1HB SER 37 2HB SER 37 10.013 2.393 -13.813 291 2HB SER 37 1HB SER 37 8.669 2.728 -12.727 292 HG SER 37 HG SER 37 10.031 2.007 -11.282 293 H SER 38 H SER 38 10.359 0.582 -15.450 294 HA SER 38 HA SER 38 11.078 -2.189 -14.577 295 1HB SER 38 2HB SER 38 9.788 -1.375 -16.912 296 2HB SER 38 1HB SER 38 11.470 -1.560 -17.406 297 HG SER 38 HG SER 38 10.498 -3.552 -17.583 298 HA PRO 39 HA PRO 39 15.149 -0.512 -14.609 299 1HB PRO 39 2HB PRO 39 16.607 -2.802 -14.907 300 2HB PRO 39 1HB PRO 39 15.783 -2.370 -13.396 301 1HG PRO 39 2HG PRO 39 14.995 -4.328 -15.483 302 2HG PRO 39 1HG PRO 39 14.751 -4.382 -13.731 303 1HD PRO 39 2HD PRO 39 12.805 -3.700 -15.582 304 2HD PRO 39 1HD PRO 39 12.766 -3.276 -13.858 305 H GLU 40 H GLU 40 13.891 -0.194 -17.145 306 HA GLU 40 HA GLU 40 16.134 -0.029 -18.913 307 1HB GLU 40 2HB GLU 40 15.863 -1.935 -20.269 308 2HB GLU 40 1HB GLU 40 15.546 -2.572 -18.660 309 1HG GLU 40 2HG GLU 40 13.127 -2.352 -19.021 310 2HG GLU 40 1HG GLU 40 13.416 -1.652 -20.615 311 H ASP 41 H ASP 41 12.593 -0.588 -18.894 312 HA ASP 41 HA ASP 41 12.166 1.175 -21.194 313 1HB ASP 41 2HB ASP 41 10.833 -0.889 -20.599 314 2HB ASP 41 1HB ASP 41 10.203 -0.005 -19.208 315 H GLY 42 H GLY 42 11.652 1.270 -17.689 316 1HA GLY 42 2HA GLY 42 12.207 3.554 -16.717 317 2HA GLY 42 1HA GLY 42 11.114 4.187 -17.942 318 H ILE 43 H ILE 43 9.606 5.056 -16.451 319 HA ILE 43 HA ILE 43 8.160 3.019 -14.804 320 HB ILE 43 HB ILE 43 9.533 4.689 -13.564 321 1HG1 ILE 43 2HG1 ILE 43 6.728 5.504 -12.985 322 2HG1 ILE 43 1HG1 ILE 43 7.064 3.772 -12.955 323 1HG2 ILE 43 1HG2 ILE 43 8.390 7.044 -13.575 324 2HG2 ILE 43 2HG2 ILE 43 7.773 6.544 -15.149 325 3HG2 ILE 43 3HG2 ILE 43 9.513 6.633 -14.870 326 1HD1 ILE 43 1HD1 ILE 43 7.761 4.149 -10.826 327 2HD1 ILE 43 2HD1 ILE 43 7.934 5.883 -11.096 328 3HD1 ILE 43 3HD1 ILE 43 9.221 4.781 -11.587 329 H HIS 44 H HIS 44 5.869 3.551 -14.400 330 HA HIS 44 HA HIS 44 4.608 5.218 -16.543 331 1HB HIS 44 2HB HIS 44 4.461 2.335 -15.973 332 2HB HIS 44 1HB HIS 44 2.875 3.101 -16.085 333 HD1 HIS 44 HD1 HIS 44 5.698 4.512 -18.078 334 HD2 HIS 44 HD2 HIS 44 2.468 1.949 -18.694 335 HE1 HIS 44 HE1 HIS 44 5.471 4.234 -20.587 336 H GLU 45 H GLU 45 2.242 5.700 -15.883 337 HA GLU 45 HA GLU 45 1.881 5.663 -12.918 338 1HB GLU 45 2HB GLU 45 2.973 7.756 -13.492 339 2HB GLU 45 1HB GLU 45 1.804 8.051 -14.780 340 1HG GLU 45 2HG GLU 45 0.087 7.742 -12.740 341 2HG GLU 45 1HG GLU 45 1.482 8.327 -11.834 342 H LEU 46 H LEU 46 -0.143 4.860 -12.517 343 HA LEU 46 HA LEU 46 -2.189 4.837 -14.641 344 1HB LEU 46 2HB LEU 46 -1.513 3.062 -12.771 345 2HB LEU 46 1HB LEU 46 -2.666 3.987 -11.808 346 HG LEU 46 HG LEU 46 -4.392 3.662 -13.537 347 1HD1 LEU 46 1HD1 LEU 46 -3.188 3.509 -15.563 348 2HD1 LEU 46 2HD1 LEU 46 -3.798 1.874 -15.309 349 3HD1 LEU 46 3HD1 LEU 46 -2.118 2.256 -14.933 350 1HD2 LEU 46 1HD2 LEU 46 -4.872 1.395 -13.029 351 2HD2 LEU 46 2HD2 LEU 46 -3.888 1.946 -11.673 352 3HD2 LEU 46 3HD2 LEU 46 -3.163 0.966 -12.946 353 H PHE 47 H PHE 47 -3.429 6.646 -14.898 354 HA PHE 47 HA PHE 47 -3.781 8.552 -12.688 355 1HB PHE 47 2HB PHE 47 -3.484 8.708 -15.411 356 2HB PHE 47 1HB PHE 47 -5.219 8.960 -15.218 357 HD1 PHE 47 HD1 PHE 47 -2.334 9.873 -13.007 358 HD2 PHE 47 HD2 PHE 47 -5.624 11.265 -15.393 359 HE1 PHE 47 HE1 PHE 47 -1.916 12.192 -12.231 360 HE2 PHE 47 HE2 PHE 47 -5.206 13.584 -14.618 361 HZ PHE 47 HZ PHE 47 -3.352 14.047 -13.037 362 HA PRO 48 HA PRO 48 -8.286 7.094 -13.453 363 1HB PRO 48 2HB PRO 48 -8.637 4.465 -14.123 364 2HB PRO 48 1HB PRO 48 -8.531 5.766 -15.325 365 1HG PRO 48 2HG PRO 48 -6.472 3.801 -14.480 366 2HG PRO 48 1HG PRO 48 -6.788 4.492 -16.078 367 1HD PRO 48 2HD PRO 48 -4.759 5.296 -14.417 368 2HD PRO 48 1HD PRO 48 -5.467 6.316 -15.687 369 H ALA 49 H ALA 49 -8.239 7.290 -11.216 370 HA ALA 49 HA ALA 49 -7.424 4.934 -9.600 371 1HB ALA 49 1HB ALA 49 -6.618 7.350 -9.317 372 2HB ALA 49 2HB ALA 49 -7.189 6.534 -7.862 373 3HB ALA 49 3HB ALA 49 -8.229 7.692 -8.690 374 HA PRO 50 HA PRO 50 -12.017 4.543 -9.512 375 1HB PRO 50 2HB PRO 50 -11.983 1.810 -9.273 376 2HB PRO 50 1HB PRO 50 -11.927 2.645 -10.841 377 1HG PRO 50 2HG PRO 50 -9.688 1.481 -9.242 378 2HG PRO 50 1HG PRO 50 -9.983 1.404 -10.988 379 1HD PRO 50 2HD PRO 50 -8.197 3.119 -9.918 380 2HD PRO 50 1HD PRO 50 -9.155 3.523 -11.360 381 H ASP 51 H ASP 51 -13.237 4.229 -7.576 382 HA ASP 51 HA ASP 51 -11.873 3.031 -5.226 383 1HB ASP 51 2HB ASP 51 -11.230 5.447 -5.415 384 2HB ASP 51 1HB ASP 51 -12.937 5.871 -5.289 385 H GLY 52 H GLY 52 -13.487 3.210 -3.266 386 1HA GLY 52 2HA GLY 52 -15.730 3.117 -2.436 387 2HA GLY 52 1HA GLY 52 -16.321 3.238 -4.096 388 H GLU 53 H GLU 53 -14.841 1.170 -5.281 389 HA GLU 53 HA GLU 53 -15.768 -1.249 -3.793 390 1HB GLU 53 2HB GLU 53 -16.370 -2.102 -6.113 391 2HB GLU 53 1HB GLU 53 -17.353 -0.756 -5.534 392 1HG GLU 53 2HG GLU 53 -15.945 0.829 -6.789 393 2HG GLU 53 1HG GLU 53 -14.945 -0.509 -7.362 394 H GLU 54 H GLU 54 -13.329 0.260 -5.789 395 HA GLU 54 HA GLU 54 -11.856 -2.275 -6.195 396 1HB GLU 54 2HB GLU 54 -11.978 -0.704 -8.026 397 2HB GLU 54 1HB GLU 54 -11.416 0.611 -6.995 398 1HG GLU 54 2HG GLU 54 -9.466 -0.023 -8.149 399 2HG GLU 54 1HG GLU 54 -9.317 -0.883 -6.619 400 H ASP 55 H ASP 55 -10.086 -2.855 -5.026 401 HA ASP 55 HA ASP 55 -8.802 -0.851 -3.225 402 1HB ASP 55 2HB ASP 55 -9.753 -3.641 -2.481 403 2HB ASP 55 1HB ASP 55 -8.892 -2.535 -1.410 404 H THR 56 H THR 56 -8.344 -2.658 -5.796 405 HA THR 56 HA THR 56 -5.562 -3.459 -5.012 406 HB THR 56 HB THR 56 -6.065 -5.530 -6.482 407 HG1 THR 56 HG1 THR 56 -7.957 -5.178 -7.398 408 1HG2 THR 56 1HG2 THR 56 -7.808 -6.048 -4.276 409 2HG2 THR 56 2HG2 THR 56 -6.523 -4.969 -3.727 410 3HG2 THR 56 3HG2 THR 56 -6.119 -6.517 -4.470 411 H ALA 57 H ALA 57 -4.199 -3.818 -7.036 412 HA ALA 57 HA ALA 57 -5.089 -1.968 -9.221 413 1HB ALA 57 1HB ALA 57 -3.147 -1.031 -8.411 414 2HB ALA 57 2HB ALA 57 -2.423 -2.176 -9.540 415 3HB ALA 57 3HB ALA 57 -2.529 -2.575 -7.826 416 H GLU 58 H GLU 58 -4.819 -2.656 -11.392 417 HA GLU 58 HA GLU 58 -4.256 -5.582 -11.741 418 1HB GLU 58 2HB GLU 58 -6.272 -3.660 -12.872 419 2HB GLU 58 1HB GLU 58 -5.814 -5.084 -13.808 420 1HG GLU 58 2HG GLU 58 -6.953 -5.059 -10.997 421 2HG GLU 58 1HG GLU 58 -7.760 -5.637 -12.456 422 H LEU 59 H LEU 59 -1.972 -5.092 -12.181 423 HA LEU 59 HA LEU 59 -1.314 -3.345 -14.460 424 1HB LEU 59 2HB LEU 59 0.252 -5.140 -12.588 425 2HB LEU 59 1HB LEU 59 1.009 -4.172 -13.853 426 HG LEU 59 HG LEU 59 -0.633 -3.152 -11.521 427 1HD1 LEU 59 1HD1 LEU 59 1.736 -1.812 -11.499 428 2HD1 LEU 59 2HD1 LEU 59 2.254 -3.361 -12.164 429 3HD1 LEU 59 3HD1 LEU 59 1.453 -3.301 -10.595 430 1HD2 LEU 59 1HD2 LEU 59 -1.230 -1.584 -13.091 431 2HD2 LEU 59 2HD2 LEU 59 0.155 -1.938 -14.123 432 3HD2 LEU 59 3HD2 LEU 59 0.358 -0.929 -12.692 433 H GLN 60 H GLN 60 -2.691 -4.710 -15.941 434 HA GLN 60 HA GLN 60 -1.461 -7.322 -16.678 435 1HB GLN 60 2HB GLN 60 -4.009 -6.079 -17.725 436 2HB GLN 60 1HB GLN 60 -3.590 -7.786 -17.637 437 1HG GLN 60 2HG GLN 60 -3.811 -7.810 -15.244 438 2HG GLN 60 1HG GLN 60 -3.915 -6.051 -15.174 439 1HE2 GLN 60 1HE2 GLN 60 -5.866 -5.095 -16.444 440 2HE2 GLN 60 2HE2 GLN 60 -7.317 -5.976 -16.392 441 H GLY 61 H GLY 61 -0.668 -7.678 -18.784 442 1HA GLY 61 2HA GLY 61 -0.346 -7.098 -21.107 443 2HA GLY 61 1HA GLY 61 -0.828 -5.445 -20.732 444 H LEU 62 H LEU 62 1.454 -7.040 -18.622 445 HA LEU 62 HA LEU 62 3.450 -4.987 -19.099 446 1HB LEU 62 2HB LEU 62 3.619 -7.663 -17.685 447 2HB LEU 62 1HB LEU 62 4.723 -6.309 -17.466 448 HG LEU 62 HG LEU 62 1.798 -6.455 -16.726 449 1HD1 LEU 62 1HD1 LEU 62 4.050 -7.095 -15.306 450 2HD1 LEU 62 2HD1 LEU 62 2.541 -6.544 -14.578 451 3HD1 LEU 62 3HD1 LEU 62 3.845 -5.395 -14.881 452 1HD2 LEU 62 1HD2 LEU 62 2.103 -4.053 -16.026 453 2HD2 LEU 62 2HD2 LEU 62 2.153 -4.287 -17.773 454 3HD2 LEU 62 3HD2 LEU 62 3.651 -4.052 -16.872 455 H ARG 63 H ARG 63 5.621 -5.394 -19.957 456 HA ARG 63 HA ARG 63 5.571 -7.303 -22.220 457 1HB ARG 63 2HB ARG 63 6.236 -4.795 -22.254 458 2HB ARG 63 1HB ARG 63 7.755 -5.342 -21.550 459 1HG ARG 63 2HG ARG 63 7.250 -7.113 -23.675 460 2HG ARG 63 1HG ARG 63 6.875 -5.505 -24.299 461 1HD ARG 63 2HD ARG 63 9.117 -4.749 -23.282 462 2HD ARG 63 1HD ARG 63 9.488 -6.477 -23.118 463 HE ARG 63 HE ARG 63 8.541 -6.180 -25.734 464 1HH1 ARG 63 1HH1 ARG 63 10.561 -3.962 -24.204 465 2HH1 ARG 63 2HH1 ARG 63 11.866 -4.111 -25.334 466 1HH2 ARG 63 1HH2 ARG 63 10.447 -6.783 -27.028 467 2HH2 ARG 63 2HH2 ARG 63 11.805 -5.711 -26.928 468 HA PRO 64 HA PRO 64 9.386 -8.791 -19.868 469 1HB PRO 64 2HB PRO 64 9.960 -7.759 -17.418 470 2HB PRO 64 1HB PRO 64 10.507 -7.012 -18.932 471 1HG PRO 64 2HG PRO 64 8.390 -6.147 -17.078 472 2HG PRO 64 1HG PRO 64 9.333 -5.202 -18.236 473 1HD PRO 64 2HD PRO 64 6.668 -6.150 -18.550 474 2HD PRO 64 1HD PRO 64 7.669 -5.326 -19.757 475 H GLY 65 H GLY 65 9.849 -10.169 -17.840 476 1HA GLY 65 2HA GLY 65 7.429 -10.778 -16.244 477 2HA GLY 65 1HA GLY 65 8.091 -12.078 -17.242 478 H SER 66 H SER 66 9.398 -9.583 -15.032 479 HA SER 66 HA SER 66 10.720 -11.704 -13.436 480 1HB SER 66 2HB SER 66 12.154 -11.070 -15.429 481 2HB SER 66 1HB SER 66 12.258 -9.447 -14.753 482 HG SER 66 HG SER 66 13.564 -11.726 -14.049 483 H GLU 67 H GLU 67 12.331 -10.190 -11.860 484 HA GLU 67 HA GLU 67 10.745 -8.991 -9.933 485 1HB GLU 67 2HB GLU 67 13.329 -9.490 -10.174 486 2HB GLU 67 1HB GLU 67 13.403 -7.787 -10.632 487 1HG GLU 67 2HG GLU 67 12.734 -7.046 -8.543 488 2HG GLU 67 1HG GLU 67 11.843 -8.528 -8.189 489 H TYR 68 H TYR 68 9.062 -7.687 -10.871 490 HA TYR 68 HA TYR 68 9.819 -5.311 -12.477 491 1HB TYR 68 2HB TYR 68 7.798 -6.966 -12.732 492 2HB TYR 68 1HB TYR 68 7.073 -5.995 -11.451 493 HD1 TYR 68 HD1 TYR 68 9.129 -5.297 -14.521 494 HD2 TYR 68 HD2 TYR 68 5.618 -4.360 -12.230 495 HE1 TYR 68 HE1 TYR 68 8.509 -3.564 -16.182 496 HE2 TYR 68 HE2 TYR 68 4.997 -2.627 -13.892 497 HH TYR 68 HH TYR 68 7.172 -1.592 -16.369 498 H THR 69 H THR 69 9.046 -3.127 -11.769 499 HA THR 69 HA THR 69 9.077 -2.883 -8.776 500 HB THR 69 HB THR 69 9.744 -0.423 -9.799 501 HG1 THR 69 HG1 THR 69 10.265 -0.705 -11.795 502 1HG2 THR 69 1HG2 THR 69 10.998 -2.575 -8.435 503 2HG2 THR 69 2HG2 THR 69 11.506 -0.887 -8.488 504 3HG2 THR 69 3HG2 THR 69 12.116 -2.031 -9.685 505 H VAL 70 H VAL 70 7.034 -2.437 -8.028 506 HA VAL 70 HA VAL 70 5.328 -0.572 -9.645 507 HB VAL 70 HB VAL 70 4.411 -2.804 -7.817 508 1HG1 VAL 70 1HG1 VAL 70 2.306 -2.544 -9.081 509 2HG1 VAL 70 2HG1 VAL 70 3.037 -1.253 -10.034 510 3HG1 VAL 70 3HG1 VAL 70 2.766 -1.028 -8.307 511 1HG2 VAL 70 1HG2 VAL 70 4.166 -4.199 -9.777 512 2HG2 VAL 70 2HG2 VAL 70 5.826 -3.609 -9.756 513 3HG2 VAL 70 3HG2 VAL 70 4.644 -2.877 -10.841 514 H SER 71 H SER 71 4.004 0.902 -8.382 515 HA SER 71 HA SER 71 4.734 1.107 -5.481 516 1HB SER 71 2HB SER 71 4.834 3.160 -7.687 517 2HB SER 71 1HB SER 71 4.771 3.635 -5.993 518 HG SER 71 HG SER 71 6.871 3.389 -6.189 519 H VAL 72 H VAL 72 3.109 2.205 -4.189 520 HA VAL 72 HA VAL 72 0.457 2.612 -5.539 521 HB VAL 72 HB VAL 72 1.122 1.082 -3.002 522 1HG1 VAL 72 1HG1 VAL 72 -1.291 0.691 -2.803 523 2HG1 VAL 72 2HG1 VAL 72 -1.586 1.669 -4.241 524 3HG1 VAL 72 3HG1 VAL 72 -0.962 2.424 -2.774 525 1HG2 VAL 72 1HG2 VAL 72 0.604 -0.853 -4.186 526 2HG2 VAL 72 2HG2 VAL 72 1.333 0.119 -5.466 527 3HG2 VAL 72 3HG2 VAL 72 -0.422 0.004 -5.338 528 H VAL 73 H VAL 73 -0.098 4.736 -5.160 529 HA VAL 73 HA VAL 73 0.552 5.880 -2.458 530 HB VAL 73 HB VAL 73 0.694 7.159 -5.204 531 1HG1 VAL 73 1HG1 VAL 73 1.969 8.754 -3.266 532 2HG1 VAL 73 2HG1 VAL 73 0.425 8.288 -2.550 533 3HG1 VAL 73 3HG1 VAL 73 0.462 9.113 -4.109 534 1HG2 VAL 73 1HG2 VAL 73 2.839 6.473 -5.220 535 2HG2 VAL 73 2HG2 VAL 73 2.555 5.599 -3.714 536 3HG2 VAL 73 3HG2 VAL 73 3.118 7.270 -3.671 537 H ALA 74 H ALA 74 -1.270 6.595 -1.420 538 HA ALA 74 HA ALA 74 -3.848 6.705 -2.820 539 1HB ALA 74 1HB ALA 74 -4.628 6.470 -0.693 540 2HB ALA 74 2HB ALA 74 -3.647 7.812 -0.103 541 3HB ALA 74 3HB ALA 74 -2.940 6.203 -0.254 542 H LEU 75 H LEU 75 -5.246 8.784 -2.413 543 HA LEU 75 HA LEU 75 -3.523 11.227 -2.613 544 1HB LEU 75 2HB LEU 75 -5.803 10.326 -4.374 545 2HB LEU 75 1HB LEU 75 -5.072 11.927 -4.458 546 HG LEU 75 HG LEU 75 -3.603 9.308 -4.819 547 1HD1 LEU 75 1HD1 LEU 75 -4.855 11.276 -6.690 548 2HD1 LEU 75 2HD1 LEU 75 -4.709 9.526 -6.841 549 3HD1 LEU 75 3HD1 LEU 75 -3.318 10.558 -7.165 550 1HD2 LEU 75 1HD2 LEU 75 -2.127 11.514 -5.787 551 2HD2 LEU 75 2HD2 LEU 75 -1.774 10.551 -4.353 552 3HD2 LEU 75 3HD2 LEU 75 -2.750 12.014 -4.214 553 H HIS 76 H HIS 76 -4.583 13.199 -2.061 554 HA HIS 76 HA HIS 76 -7.319 13.229 -1.024 555 1HB HIS 76 2HB HIS 76 -5.481 12.221 0.677 556 2HB HIS 76 1HB HIS 76 -5.248 13.936 1.005 557 HD1 HIS 76 HD1 HIS 76 -8.558 12.292 0.147 558 HD2 HIS 76 HD2 HIS 76 -6.693 14.120 3.397 559 HE1 HIS 76 HE1 HIS 76 -10.334 12.562 1.937 560 H ASP 77 H ASP 77 -7.729 15.534 -0.088 561 HA ASP 77 HA ASP 77 -7.118 17.542 -1.883 562 1HB ASP 77 2HB ASP 77 -7.413 19.056 0.198 563 2HB ASP 77 1HB ASP 77 -8.734 17.969 -0.224 564 H ASP 78 H ASP 78 -5.187 18.317 -2.548 565 HA ASP 78 HA ASP 78 -2.832 18.716 -2.544 566 1HB ASP 78 2HB ASP 78 -4.199 20.569 -1.290 567 2HB ASP 78 1HB ASP 78 -3.423 19.917 0.154 568 H MET 79 H MET 79 -3.061 16.095 -1.786 569 HA MET 79 HA MET 79 -1.218 15.898 0.575 570 1HB MET 79 2HB MET 79 -3.872 14.912 0.204 571 2HB MET 79 1HB MET 79 -2.783 13.523 0.243 572 1HG MET 79 2HG MET 79 -2.481 15.718 2.276 573 2HG MET 79 1HG MET 79 -3.712 14.474 2.501 574 1HE MET 79 1HE MET 79 -1.935 12.688 4.823 575 2HE MET 79 2HE MET 79 -2.851 14.162 4.517 576 3HE MET 79 3HE MET 79 -1.133 14.264 4.894 577 H GLU 80 H GLU 80 -0.022 13.784 0.576 578 HA GLU 80 HA GLU 80 0.337 12.434 -2.023 579 1HB GLU 80 2HB GLU 80 1.974 14.626 -1.065 580 2HB GLU 80 1HB GLU 80 2.943 13.158 -1.192 581 1HG GLU 80 2HG GLU 80 1.210 13.362 -3.483 582 2HG GLU 80 1HG GLU 80 2.123 14.859 -3.299 583 H SER 81 H SER 81 -0.667 11.113 0.012 584 HA SER 81 HA SER 81 0.616 10.151 2.213 585 1HB SER 81 2HB SER 81 -0.478 8.212 0.191 586 2HB SER 81 1HB SER 81 -0.697 8.218 1.939 587 HG SER 81 HG SER 81 -2.371 9.136 0.250 588 H GLN 82 H GLN 82 2.441 8.958 2.702 589 HA GLN 82 HA GLN 82 4.712 8.789 1.196 590 1HB GLN 82 2HB GLN 82 3.464 7.071 3.309 591 2HB GLN 82 1HB GLN 82 4.968 6.524 2.567 592 1HG GLN 82 2HG GLN 82 5.908 7.823 4.201 593 2HG GLN 82 1HG GLN 82 5.609 9.110 3.033 594 1HE2 GLN 82 1HE2 GLN 82 4.375 10.833 3.804 595 2HE2 GLN 82 2HE2 GLN 82 3.348 10.766 5.156 596 HA PRO 83 HA PRO 83 3.528 6.157 -2.152 597 1HB PRO 83 2HB PRO 83 6.006 5.923 -3.285 598 2HB PRO 83 1HB PRO 83 4.991 7.370 -3.460 599 1HG PRO 83 2HG PRO 83 7.306 6.894 -1.647 600 2HG PRO 83 1HG PRO 83 6.844 8.359 -2.529 601 1HD PRO 83 2HD PRO 83 6.362 7.994 0.140 602 2HD PRO 83 1HD PRO 83 5.364 9.029 -0.907 603 H LEU 84 H LEU 84 3.369 3.946 -2.221 604 HA LEU 84 HA LEU 84 5.094 2.379 -0.380 605 1HB LEU 84 2HB LEU 84 2.518 2.414 -0.440 606 2HB LEU 84 1HB LEU 84 2.657 1.487 -1.934 607 HG LEU 84 HG LEU 84 3.702 -0.344 -0.825 608 1HD1 LEU 84 1HD1 LEU 84 4.069 1.617 1.447 609 2HD1 LEU 84 2HD1 LEU 84 5.310 0.718 0.574 610 3HD1 LEU 84 3HD1 LEU 84 4.226 -0.123 1.682 611 1HD2 LEU 84 1HD2 LEU 84 1.465 0.875 0.805 612 2HD2 LEU 84 2HD2 LEU 84 2.124 -0.717 1.175 613 3HD2 LEU 84 3HD2 LEU 84 1.363 -0.420 -0.387 614 H ILE 85 H ILE 85 5.938 0.275 -1.164 615 HA ILE 85 HA ILE 85 6.583 0.354 -4.094 616 HB ILE 85 HB ILE 85 8.122 -0.402 -1.610 617 1HG1 ILE 85 2HG1 ILE 85 8.073 1.958 -2.591 618 2HG1 ILE 85 1HG1 ILE 85 9.674 1.244 -2.398 619 1HG2 ILE 85 1HG2 ILE 85 8.425 -2.236 -3.236 620 2HG2 ILE 85 2HG2 ILE 85 9.902 -1.282 -3.085 621 3HG2 ILE 85 3HG2 ILE 85 8.851 -1.063 -4.483 622 1HD1 ILE 85 1HD1 ILE 85 10.060 1.437 -4.605 623 2HD1 ILE 85 2HD1 ILE 85 8.495 2.232 -4.785 624 3HD1 ILE 85 3HD1 ILE 85 8.619 0.482 -4.958 625 H GLY 86 H GLY 86 6.515 -1.645 -5.221 626 1HA GLY 86 2HA GLY 86 5.679 -4.067 -3.729 627 2HA GLY 86 1HA GLY 86 4.599 -3.481 -4.997 628 H THR 87 H THR 87 7.801 -4.805 -4.367 629 HA THR 87 HA THR 87 8.242 -5.168 -7.296 630 HB THR 87 HB THR 87 10.204 -5.879 -5.144 631 HG1 THR 87 HG1 THR 87 9.645 -3.243 -6.027 632 1HG2 THR 87 1HG2 THR 87 10.431 -4.522 -7.844 633 2HG2 THR 87 2HG2 THR 87 10.770 -6.222 -7.517 634 3HG2 THR 87 3HG2 THR 87 11.785 -4.968 -6.805 635 H GLN 88 H GLN 88 8.813 -7.286 -8.103 636 HA GLN 88 HA GLN 88 8.845 -9.666 -6.487 637 1HB GLN 88 2HB GLN 88 6.297 -8.474 -7.098 638 2HB GLN 88 1HB GLN 88 6.413 -10.037 -7.908 639 1HG GLN 88 2HG GLN 88 7.115 -9.642 -4.990 640 2HG GLN 88 1HG GLN 88 5.507 -10.121 -5.534 641 1HE2 GLN 88 1HE2 GLN 88 5.724 -12.056 -7.305 642 2HE2 GLN 88 2HE2 GLN 88 6.742 -13.323 -6.814 643 H SER 89 H SER 89 9.330 -11.504 -7.796 644 HA SER 89 HA SER 89 10.362 -10.930 -10.447 645 1HB SER 89 2HB SER 89 10.332 -13.069 -8.461 646 2HB SER 89 1HB SER 89 10.236 -13.692 -10.105 647 HG SER 89 HG SER 89 12.319 -13.351 -10.073 648 H THR 90 H THR 90 8.574 -10.309 -11.771 649 HA THR 90 HA THR 90 6.068 -11.598 -11.992 650 HB THR 90 HB THR 90 7.517 -10.518 -14.394 651 HG1 THR 90 HG1 THR 90 6.575 -8.877 -12.294 652 1HG2 THR 90 1HG2 THR 90 5.425 -9.748 -15.016 653 2HG2 THR 90 2HG2 THR 90 4.886 -9.553 -13.349 654 3HG2 THR 90 3HG2 THR 90 4.964 -11.161 -14.068 655 H ALA 91 H ALA 91 5.377 -13.426 -13.172 656 HA ALA 91 HA ALA 91 7.136 -15.587 -13.667 657 1HB ALA 91 1HB ALA 91 4.470 -15.201 -13.585 658 2HB ALA 91 2HB ALA 91 5.191 -16.638 -14.310 659 3HB ALA 91 3HB ALA 91 4.688 -15.290 -15.332 660 H ILE 92 H ILE 92 6.622 -16.468 -16.270 661 HA ILE 92 HA ILE 92 7.844 -14.342 -17.988 662 HB ILE 92 HB ILE 92 9.602 -15.765 -18.626 663 1HG1 ILE 92 2HG1 ILE 92 8.178 -17.687 -19.255 664 2HG1 ILE 92 1HG1 ILE 92 9.567 -18.217 -18.305 665 1HG2 ILE 92 1HG2 ILE 92 9.676 -15.149 -16.173 666 2HG2 ILE 92 2HG2 ILE 92 10.604 -16.588 -16.596 667 3HG2 ILE 92 3HG2 ILE 92 9.031 -16.752 -15.820 668 1HD1 ILE 92 1HD1 ILE 92 7.876 -19.344 -17.205 669 2HD1 ILE 92 2HD1 ILE 92 6.682 -18.091 -17.536 670 3HD1 ILE 92 3HD1 ILE 92 7.896 -17.842 -16.281 671 HA PRO 93 HA PRO 93 4.995 -15.829 -20.970 672 1HB PRO 93 2HB PRO 93 6.157 -14.835 -23.229 673 2HB PRO 93 1HB PRO 93 5.371 -13.807 -22.015 674 1HG PRO 93 2HG PRO 93 8.229 -14.151 -22.596 675 2HG PRO 93 1HG PRO 93 7.395 -12.821 -21.784 676 1HD PRO 93 2HD PRO 93 8.873 -14.958 -20.578 677 2HD PRO 93 1HD PRO 93 7.993 -13.645 -19.766 678 H ALA 94 H ALA 94 4.868 -17.993 -21.537 679 HA ALA 94 HA ALA 94 7.164 -19.604 -22.232 680 1HB ALA 94 1HB ALA 94 4.644 -20.045 -21.336 681 2HB ALA 94 2HB ALA 94 5.622 -21.305 -22.088 682 3HB ALA 94 3HB ALA 94 4.424 -20.430 -23.042 Start of MODEL 6 1 1H ASN 1 1H ASN 1 -6.893 14.787 7.165 2 2H ASN 1 2H ASN 1 -6.605 15.381 5.599 3 3H ASN 1 3H ASN 1 -6.002 16.214 6.953 4 HA ASN 1 HA ASN 1 -4.243 14.944 5.817 5 1HB ASN 1 2HB ASN 1 -4.390 15.494 8.290 6 2HB ASN 1 1HB ASN 1 -5.023 13.868 8.540 7 1HD2 ASN 1 1HD2 ASN 1 -2.157 15.599 7.228 8 2HD2 ASN 1 2HD2 ASN 1 -1.066 14.333 7.528 9 H ILE 2 H ILE 2 -4.210 13.280 4.358 10 HA ILE 2 HA ILE 2 -6.067 11.151 4.179 11 HB ILE 2 HB ILE 2 -4.373 12.048 2.495 12 1HG1 ILE 2 2HG1 ILE 2 -3.969 9.106 2.554 13 2HG1 ILE 2 1HG1 ILE 2 -5.646 9.652 2.616 14 1HG2 ILE 2 1HG2 ILE 2 -2.582 11.235 4.501 15 2HG2 ILE 2 2HG2 ILE 2 -2.170 11.805 2.883 16 3HG2 ILE 2 3HG2 ILE 2 -2.362 10.079 3.189 17 1HD1 ILE 2 1HD1 ILE 2 -4.410 9.300 0.287 18 2HD1 ILE 2 2HD1 ILE 2 -3.825 10.930 0.619 19 3HD1 ILE 2 3HD1 ILE 2 -5.558 10.619 0.515 20 H ASP 3 H ASP 3 -5.057 8.721 4.283 21 HA ASP 3 HA ASP 3 -4.083 8.403 7.080 22 1HB ASP 3 2HB ASP 3 -6.338 7.519 6.130 23 2HB ASP 3 1HB ASP 3 -5.340 6.283 5.362 24 H ARG 4 H ARG 4 -3.467 7.475 3.733 25 HA ARG 4 HA ARG 4 -1.472 6.664 2.764 26 1HB ARG 4 2HB ARG 4 0.394 7.320 3.903 27 2HB ARG 4 1HB ARG 4 -0.711 7.919 5.133 28 1HG ARG 4 2HG ARG 4 -0.608 5.489 6.085 29 2HG ARG 4 1HG ARG 4 0.836 5.328 5.091 30 1HD ARG 4 2HD ARG 4 1.788 6.128 7.066 31 2HD ARG 4 1HD ARG 4 1.441 7.666 6.253 32 HE ARG 4 HE ARG 4 -0.929 7.095 7.540 33 1HH1 ARG 4 1HH2 ARG 4 1.051 9.289 8.345 34 2HH1 ARG 4 2HH2 ARG 4 1.289 8.913 10.019 35 1HH2 ARG 4 1HH1 ARG 4 -0.051 5.726 9.767 36 2HH2 ARG 4 2HH1 ARG 4 0.667 6.894 10.824 37 HA PRO 5 HA PRO 5 -2.382 2.408 3.504 38 1HB PRO 5 2HB PRO 5 -0.976 1.397 1.394 39 2HB PRO 5 1HB PRO 5 -2.541 2.210 1.214 40 1HG PRO 5 2HG PRO 5 0.174 3.202 0.604 41 2HG PRO 5 1HG PRO 5 -1.377 3.624 -0.133 42 1HD PRO 5 2HD PRO 5 0.031 5.149 1.752 43 2HD PRO 5 1HD PRO 5 -1.660 5.382 1.262 44 H LYS 6 H LYS 6 -0.802 0.274 3.294 45 HA LYS 6 HA LYS 6 1.963 0.448 3.860 46 1HB LYS 6 2HB LYS 6 0.231 1.439 5.931 47 2HB LYS 6 1HB LYS 6 1.057 -0.004 6.522 48 1HG LYS 6 2HG LYS 6 2.725 1.939 5.013 49 2HG LYS 6 1HG LYS 6 2.171 2.458 6.604 50 1HD LYS 6 2HD LYS 6 3.247 0.658 7.700 51 2HD LYS 6 1HD LYS 6 3.419 -0.261 6.204 52 1HE LYS 6 2HE LYS 6 4.900 2.292 6.940 53 2HE LYS 6 1HE LYS 6 5.598 0.673 6.734 54 1HZ LYS 6 1HZ LYS 6 4.616 2.536 4.716 55 2HZ LYS 6 2HZ LYS 6 4.286 0.889 4.455 56 3HZ LYS 6 3HZ LYS 6 5.891 1.420 4.627 57 H GLY 7 H GLY 7 2.787 -1.640 4.020 58 1HA GLY 7 2HA GLY 7 2.804 -3.984 4.183 59 2HA GLY 7 1HA GLY 7 1.374 -3.848 5.205 60 H LEU 8 H LEU 8 2.287 -3.502 1.760 61 HA LEU 8 HA LEU 8 -0.409 -3.985 0.807 62 1HB LEU 8 2HB LEU 8 0.570 -3.592 -1.281 63 2HB LEU 8 1HB LEU 8 1.739 -2.805 -0.225 64 HG LEU 8 HG LEU 8 2.718 -5.340 -0.204 65 1HD1 LEU 8 1HD1 LEU 8 0.761 -5.479 -2.154 66 2HD1 LEU 8 2HD1 LEU 8 2.141 -6.571 -2.015 67 3HD1 LEU 8 3HD1 LEU 8 2.224 -5.175 -3.092 68 1HD2 LEU 8 1HD2 LEU 8 3.853 -3.129 -0.778 69 2HD2 LEU 8 2HD2 LEU 8 3.316 -3.378 -2.439 70 3HD2 LEU 8 3HD2 LEU 8 4.428 -4.525 -1.691 71 H ALA 9 H ALA 9 -1.071 -5.920 -0.430 72 HA ALA 9 HA ALA 9 0.409 -8.402 0.386 73 1HB ALA 9 1HB ALA 9 -1.497 -9.099 1.383 74 2HB ALA 9 2HB ALA 9 -2.427 -8.777 -0.081 75 3HB ALA 9 3HB ALA 9 -2.164 -7.492 1.098 76 H PHE 10 H PHE 10 0.077 -10.230 -1.145 77 HA PHE 10 HA PHE 10 -0.380 -9.245 -3.940 78 1HB PHE 10 2HB PHE 10 1.394 -11.361 -2.705 79 2HB PHE 10 1HB PHE 10 1.114 -11.273 -4.443 80 HD1 PHE 10 HD1 PHE 10 1.747 -9.192 -5.707 81 HD2 PHE 10 HD2 PHE 10 2.841 -9.811 -1.600 82 HE1 PHE 10 HE1 PHE 10 3.460 -7.408 -5.893 83 HE2 PHE 10 HE2 PHE 10 4.552 -8.027 -1.786 84 HZ PHE 10 HZ PHE 10 4.861 -6.824 -3.933 85 H THR 11 H THR 11 -2.254 -10.006 -4.823 86 HA THR 11 HA THR 11 -3.610 -12.351 -3.645 87 HB THR 11 HB THR 11 -4.666 -10.930 -6.026 88 HG1 THR 11 HG1 THR 11 -5.218 -9.296 -4.129 89 1HG2 THR 11 1HG2 THR 11 -6.595 -10.746 -4.256 90 2HG2 THR 11 2HG2 THR 11 -5.639 -11.937 -3.375 91 3HG2 THR 11 3HG2 THR 11 -6.233 -12.306 -4.994 92 H ASP 12 H ASP 12 -2.739 -11.300 -6.969 93 HA ASP 12 HA ASP 12 -2.064 -14.123 -7.626 94 1HB ASP 12 2HB ASP 12 -4.505 -13.235 -8.149 95 2HB ASP 12 1HB ASP 12 -3.699 -12.478 -9.524 96 H VAL 13 H VAL 13 -0.145 -14.172 -8.741 97 HA VAL 13 HA VAL 13 0.831 -11.631 -9.974 98 HB VAL 13 HB VAL 13 2.016 -12.868 -8.052 99 1HG1 VAL 13 1HG1 VAL 13 2.985 -14.678 -10.264 100 2HG1 VAL 13 2HG1 VAL 13 1.607 -15.122 -9.254 101 3HG1 VAL 13 3HG1 VAL 13 3.191 -14.864 -8.522 102 1HG2 VAL 13 1HG2 VAL 13 4.171 -12.282 -8.892 103 2HG2 VAL 13 2HG2 VAL 13 3.041 -11.180 -9.677 104 3HG2 VAL 13 3HG2 VAL 13 3.676 -12.567 -10.561 105 H ASP 14 H ASP 14 1.300 -11.612 -12.174 106 HA ASP 14 HA ASP 14 1.403 -14.194 -13.658 107 1HB ASP 14 2HB ASP 14 -0.924 -12.832 -13.402 108 2HB ASP 14 1HB ASP 14 -0.257 -12.022 -14.819 109 H VAL 15 H VAL 15 2.846 -14.086 -15.369 110 HA VAL 15 HA VAL 15 4.816 -12.141 -15.611 111 HB VAL 15 HB VAL 15 4.999 -14.296 -16.646 112 1HG1 VAL 15 1HG1 VAL 15 3.022 -13.792 -18.781 113 2HG1 VAL 15 2HG1 VAL 15 2.338 -14.069 -17.184 114 3HG1 VAL 15 3HG1 VAL 15 3.385 -15.282 -17.917 115 1HG2 VAL 15 1HG2 VAL 15 6.260 -13.381 -18.262 116 2HG2 VAL 15 2HG2 VAL 15 5.370 -11.869 -18.091 117 3HG2 VAL 15 3HG2 VAL 15 4.813 -13.096 -19.229 118 H ASP 16 H ASP 16 1.649 -12.216 -17.233 119 HA ASP 16 HA ASP 16 2.295 -9.592 -18.511 120 1HB ASP 16 2HB ASP 16 0.422 -10.203 -20.004 121 2HB ASP 16 1HB ASP 16 1.618 -11.498 -19.936 122 H SER 17 H SER 17 1.147 -10.367 -15.633 123 HA SER 17 HA SER 17 -0.438 -7.990 -15.328 124 1HB SER 17 2HB SER 17 -2.622 -9.246 -14.952 125 2HB SER 17 1HB SER 17 -2.079 -9.143 -16.624 126 HG SER 17 HG SER 17 -2.095 -11.319 -14.850 127 H ILE 18 H ILE 18 -0.344 -7.459 -13.197 128 HA ILE 18 HA ILE 18 0.117 -9.674 -11.218 129 HB ILE 18 HB ILE 18 1.084 -6.798 -11.248 130 1HG1 ILE 18 2HG1 ILE 18 2.135 -8.298 -12.954 131 2HG1 ILE 18 1HG1 ILE 18 3.276 -7.751 -11.725 132 1HG2 ILE 18 1HG2 ILE 18 0.706 -8.443 -9.061 133 2HG2 ILE 18 2HG2 ILE 18 1.848 -7.100 -9.137 134 3HG2 ILE 18 3HG2 ILE 18 2.393 -8.743 -9.478 135 1HD1 ILE 18 1HD1 ILE 18 2.811 -10.396 -12.443 136 2HD1 ILE 18 2HD1 ILE 18 1.903 -10.208 -10.945 137 3HD1 ILE 18 3HD1 ILE 18 3.630 -9.853 -10.979 138 H LYS 19 H LYS 19 -1.557 -9.862 -9.780 139 HA LYS 19 HA LYS 19 -3.484 -7.621 -9.476 140 1HB LYS 19 2HB LYS 19 -3.656 -10.393 -9.660 141 2HB LYS 19 1HB LYS 19 -3.912 -10.083 -7.942 142 1HG LYS 19 2HG LYS 19 -5.847 -8.866 -8.304 143 2HG LYS 19 1HG LYS 19 -5.348 -8.357 -9.918 144 1HD LYS 19 2HD LYS 19 -5.857 -10.486 -10.859 145 2HD LYS 19 1HD LYS 19 -5.999 -11.233 -9.268 146 1HE LYS 19 2HE LYS 19 -8.239 -10.854 -9.487 147 2HE LYS 19 1HE LYS 19 -7.846 -9.154 -9.155 148 1HZ LYS 19 1HZ LYS 19 -8.021 -10.492 -11.794 149 2HZ LYS 19 2HZ LYS 19 -7.287 -8.974 -11.581 150 3HZ LYS 19 3HZ LYS 19 -8.937 -9.180 -11.236 151 H ILE 20 H ILE 20 -2.538 -6.138 -8.037 152 HA ILE 20 HA ILE 20 -1.427 -7.257 -5.486 153 HB ILE 20 HB ILE 20 -0.228 -5.145 -5.364 154 1HG1 ILE 20 2HG1 ILE 20 -2.398 -4.113 -6.751 155 2HG1 ILE 20 1HG1 ILE 20 -0.898 -3.247 -6.446 156 1HG2 ILE 20 1HG2 ILE 20 -0.159 -6.266 -8.189 157 2HG2 ILE 20 2HG2 ILE 20 0.692 -6.951 -6.804 158 3HG2 ILE 20 3HG2 ILE 20 1.129 -5.352 -7.404 159 1HD1 ILE 20 1HD1 ILE 20 -1.752 -3.350 -8.892 160 2HD1 ILE 20 2HD1 ILE 20 -1.206 -5.027 -8.868 161 3HD1 ILE 20 3HD1 ILE 20 -0.051 -3.721 -8.607 162 H ALA 21 H ALA 21 -2.079 -6.298 -3.478 163 HA ALA 21 HA ALA 21 -4.515 -4.561 -3.587 164 1HB ALA 21 1HB ALA 21 -4.860 -7.114 -3.263 165 2HB ALA 21 2HB ALA 21 -5.662 -6.032 -2.123 166 3HB ALA 21 3HB ALA 21 -4.175 -6.858 -1.657 167 H TRP 22 H TRP 22 -3.917 -2.714 -2.510 168 HA TRP 22 HA TRP 22 -1.925 -2.906 -0.298 169 1HB TRP 22 2HB TRP 22 -2.026 -0.353 -0.587 170 2HB TRP 22 1HB TRP 22 -1.397 -1.266 -1.956 171 HD1 TRP 22 HD1 TRP 22 -4.684 0.362 -0.753 172 HE1 TRP 22 HE1 TRP 22 -6.057 1.032 -2.833 173 HE3 TRP 22 HE3 TRP 22 -1.706 -1.557 -4.432 174 HZ2 TRP 22 HZ2 TRP 22 -5.904 0.793 -5.677 175 HZ3 TRP 22 HZ3 TRP 22 -2.337 -1.314 -6.814 176 HH2 TRP 22 HH2 TRP 22 -4.434 -0.145 -7.443 177 H GLU 23 H GLU 23 -2.415 -2.172 1.804 178 HA GLU 23 HA GLU 23 -4.896 -2.636 2.946 179 1HB GLU 23 2HB GLU 23 -2.574 -2.049 3.939 180 2HB GLU 23 1HB GLU 23 -3.112 -0.371 3.831 181 1HG GLU 23 2HG GLU 23 -5.084 -2.213 5.025 182 2HG GLU 23 1HG GLU 23 -3.607 -2.006 5.968 183 H SER 24 H SER 24 -6.866 -1.701 2.601 184 HA SER 24 HA SER 24 -7.406 0.530 0.980 185 1HB SER 24 2HB SER 24 -9.553 0.525 2.505 186 2HB SER 24 1HB SER 24 -9.207 -0.873 1.492 187 HG SER 24 HG SER 24 -9.417 -1.814 3.398 188 HA PRO 25 HA PRO 25 -6.171 3.920 3.499 189 1HB PRO 25 2HB PRO 25 -7.540 5.897 2.198 190 2HB PRO 25 1HB PRO 25 -6.071 5.146 1.545 191 1HG PRO 25 2HG PRO 25 -8.918 4.658 0.835 192 2HG PRO 25 1HG PRO 25 -7.483 4.680 -0.200 193 1HD PRO 25 2HD PRO 25 -8.702 2.383 0.684 194 2HD PRO 25 1HD PRO 25 -6.990 2.487 0.218 195 H GLN 26 H GLN 26 -7.248 5.685 4.839 196 HA GLN 26 HA GLN 26 -10.113 5.126 5.463 197 1HB GLN 26 2HB GLN 26 -7.694 4.940 7.260 198 2HB GLN 26 1HB GLN 26 -9.310 5.189 7.921 199 1HG GLN 26 2HG GLN 26 -8.903 2.990 5.927 200 2HG GLN 26 1HG GLN 26 -8.364 2.738 7.588 201 1HE2 GLN 26 1HE2 GLN 26 -11.014 2.283 5.616 202 2HE2 GLN 26 2HE2 GLN 26 -12.237 2.303 6.792 203 H GLY 27 H GLY 27 -8.006 7.385 4.523 204 1HA GLY 27 2HA GLY 27 -9.056 9.500 6.355 205 2HA GLY 27 1HA GLY 27 -7.565 9.643 5.425 206 H GLN 28 H GLN 28 -10.920 8.726 4.558 207 HA GLN 28 HA GLN 28 -12.181 9.408 2.661 208 1HB GLN 28 2HB GLN 28 -11.732 11.401 4.523 209 2HB GLN 28 1HB GLN 28 -11.281 12.186 3.009 210 1HG GLN 28 2HG GLN 28 -13.413 11.964 2.099 211 2HG GLN 28 1HG GLN 28 -13.820 10.593 3.131 212 1HE2 GLN 28 1HE2 GLN 28 -13.501 11.395 5.673 213 2HE2 GLN 28 2HE2 GLN 28 -14.370 12.810 6.021 214 H VAL 29 H VAL 29 -10.788 8.418 1.026 215 HA VAL 29 HA VAL 29 -8.767 10.217 -0.226 216 HB VAL 29 HB VAL 29 -9.409 7.268 -0.327 217 1HG1 VAL 29 1HG1 VAL 29 -8.841 7.915 -2.605 218 2HG1 VAL 29 2HG1 VAL 29 -7.459 7.083 -1.890 219 3HG1 VAL 29 3HG1 VAL 29 -7.455 8.842 -2.031 220 1HG2 VAL 29 1HG2 VAL 29 -8.073 7.721 1.545 221 2HG2 VAL 29 2HG2 VAL 29 -7.192 9.009 0.723 222 3HG2 VAL 29 3HG2 VAL 29 -6.873 7.324 0.316 223 H SER 30 H SER 30 -8.919 10.765 -2.439 224 HA SER 30 HA SER 30 -11.602 10.281 -3.687 225 1HB SER 30 2HB SER 30 -9.704 12.579 -3.507 226 2HB SER 30 1HB SER 30 -10.669 12.436 -4.975 227 HG SER 30 HG SER 30 -11.555 13.626 -3.044 228 H ARG 31 H ARG 31 -8.410 9.331 -3.863 229 HA ARG 31 HA ARG 31 -8.622 7.917 -6.303 230 1HB ARG 31 2HB ARG 31 -8.298 10.761 -6.562 231 2HB ARG 31 1HB ARG 31 -6.861 9.963 -7.198 232 1HG ARG 31 2HG ARG 31 -8.111 8.711 -8.776 233 2HG ARG 31 1HG ARG 31 -9.634 9.036 -7.945 234 1HD ARG 31 2HD ARG 31 -8.878 11.584 -8.476 235 2HD ARG 31 1HD ARG 31 -8.130 10.751 -9.853 236 HE ARG 31 HE ARG 31 -10.854 9.845 -9.342 237 1HH1 ARG 31 1HH1 ARG 31 -9.235 10.351 -11.973 238 2HH1 ARG 31 2HH1 ARG 31 -10.223 11.577 -12.693 239 1HH2 ARG 31 1HH2 ARG 31 -11.984 12.244 -9.781 240 2HH2 ARG 31 2HH2 ARG 31 -11.780 12.650 -11.453 241 H TYR 32 H TYR 32 -6.537 6.986 -6.965 242 HA TYR 32 HA TYR 32 -4.265 7.496 -5.099 243 1HB TYR 32 2HB TYR 32 -4.075 5.106 -4.682 244 2HB TYR 32 1HB TYR 32 -5.726 5.606 -4.314 245 HD1 TYR 32 HD1 TYR 32 -7.432 5.458 -6.293 246 HD2 TYR 32 HD2 TYR 32 -3.718 3.314 -6.135 247 HE1 TYR 32 HE1 TYR 32 -8.304 3.826 -7.948 248 HE2 TYR 32 HE2 TYR 32 -4.587 1.683 -7.790 249 HH TYR 32 HH TYR 32 -7.799 1.365 -8.538 250 H ARG 33 H ARG 33 -2.319 7.499 -6.200 251 HA ARG 33 HA ARG 33 -2.405 6.993 -9.111 252 1HB ARG 33 2HB ARG 33 -1.411 9.033 -8.043 253 2HB ARG 33 1HB ARG 33 -0.181 8.000 -7.315 254 1HG ARG 33 2HG ARG 33 0.955 7.759 -9.271 255 2HG ARG 33 1HG ARG 33 -0.526 7.610 -10.218 256 1HD ARG 33 2HD ARG 33 0.555 9.681 -10.885 257 2HD ARG 33 1HD ARG 33 -0.849 10.124 -9.891 258 HE ARG 33 HE ARG 33 1.539 9.691 -8.290 259 1HH1 ARG 33 1HH2 ARG 33 -0.880 11.844 -8.830 260 2HH1 ARG 33 2HH2 ARG 33 0.084 13.277 -8.714 261 1HH2 ARG 33 1HH1 ARG 33 3.102 11.571 -8.772 262 2HH2 ARG 33 2HH1 ARG 33 2.340 13.124 -8.683 263 H VAL 34 H VAL 34 -1.688 5.118 -9.986 264 HA VAL 34 HA VAL 34 -0.053 3.267 -8.293 265 HB VAL 34 HB VAL 34 -1.821 2.842 -10.728 266 1HG1 VAL 34 1HG1 VAL 34 -0.547 0.765 -8.927 267 2HG1 VAL 34 2HG1 VAL 34 0.145 1.262 -10.472 268 3HG1 VAL 34 3HG1 VAL 34 -1.437 0.485 -10.423 269 1HG2 VAL 34 1HG2 VAL 34 -2.400 1.621 -8.073 270 2HG2 VAL 34 2HG2 VAL 34 -3.513 2.254 -9.286 271 3HG2 VAL 34 3HG2 VAL 34 -2.661 3.360 -8.209 272 H THR 35 H THR 35 2.093 3.748 -8.794 273 HA THR 35 HA THR 35 2.799 4.106 -11.679 274 HB THR 35 HB THR 35 4.963 4.787 -10.025 275 HG1 THR 35 HG1 THR 35 2.693 6.073 -9.004 276 1HG2 THR 35 1HG2 THR 35 3.499 5.892 -12.063 277 2HG2 THR 35 2HG2 THR 35 4.795 6.716 -11.196 278 3HG2 THR 35 3HG2 THR 35 3.116 6.966 -10.718 279 H TYR 36 H TYR 36 4.331 2.788 -12.620 280 HA TYR 36 HA TYR 36 5.695 0.749 -10.917 281 1HB TYR 36 2HB TYR 36 5.164 -0.606 -13.272 282 2HB TYR 36 1HB TYR 36 4.220 -0.767 -11.797 283 HD1 TYR 36 HD1 TYR 36 2.298 1.014 -11.466 284 HD2 TYR 36 HD2 TYR 36 4.112 0.078 -15.248 285 HE1 TYR 36 HE1 TYR 36 0.311 1.921 -12.645 286 HE2 TYR 36 HE2 TYR 36 2.124 0.983 -16.423 287 HH TYR 36 HH TYR 36 0.171 2.015 -16.206 288 H SER 37 H SER 37 7.876 0.711 -11.372 289 HA SER 37 HA SER 37 8.738 1.912 -13.982 290 1HB SER 37 2HB SER 37 10.511 2.964 -12.792 291 2HB SER 37 1HB SER 37 9.071 3.202 -11.809 292 HG SER 37 HG SER 37 10.099 2.182 -10.298 293 H SER 38 H SER 38 10.786 1.149 -14.819 294 HA SER 38 HA SER 38 11.669 -1.528 -13.827 295 1HB SER 38 2HB SER 38 10.045 -1.116 -16.010 296 2HB SER 38 1HB SER 38 11.643 -1.111 -16.751 297 HG SER 38 HG SER 38 11.149 -3.217 -16.661 298 HA PRO 39 HA PRO 39 15.550 0.529 -14.300 299 1HB PRO 39 2HB PRO 39 17.179 -1.651 -14.024 300 2HB PRO 39 1HB PRO 39 16.353 -0.877 -12.657 301 1HG PRO 39 2HG PRO 39 15.636 -3.356 -14.142 302 2HG PRO 39 1HG PRO 39 15.504 -2.996 -12.413 303 1HD PRO 39 2HD PRO 39 13.381 -2.932 -14.143 304 2HD PRO 39 1HD PRO 39 13.468 -1.972 -12.648 305 H GLU 40 H GLU 40 14.376 0.296 -16.769 306 HA GLU 40 HA GLU 40 16.572 -0.029 -18.561 307 1HB GLU 40 2HB GLU 40 15.728 -2.153 -19.637 308 2HB GLU 40 1HB GLU 40 16.385 -2.367 -18.020 309 1HG GLU 40 2HG GLU 40 13.920 -2.000 -17.238 310 2HG GLU 40 1HG GLU 40 13.515 -2.405 -18.905 311 H ASP 41 H ASP 41 13.026 -0.559 -18.395 312 HA ASP 41 HA ASP 41 12.674 0.745 -21.025 313 1HB ASP 41 2HB ASP 41 11.484 -1.353 -20.008 314 2HB ASP 41 1HB ASP 41 10.497 -0.165 -19.156 315 H GLY 42 H GLY 42 12.105 1.383 -17.602 316 1HA GLY 42 2HA GLY 42 12.291 3.839 -17.023 317 2HA GLY 42 1HA GLY 42 11.164 4.116 -18.350 318 H ILE 43 H ILE 43 9.466 4.981 -17.076 319 HA ILE 43 HA ILE 43 8.110 2.989 -15.315 320 HB ILE 43 HB ILE 43 9.587 4.687 -14.117 321 1HG1 ILE 43 2HG1 ILE 43 6.614 4.793 -13.500 322 2HG1 ILE 43 1HG1 ILE 43 7.682 3.466 -13.042 323 1HG2 ILE 43 1HG2 ILE 43 8.777 6.528 -15.757 324 2HG2 ILE 43 2HG2 ILE 43 8.949 6.958 -14.055 325 3HG2 ILE 43 3HG2 ILE 43 7.352 6.619 -14.722 326 1HD1 ILE 43 1HD1 ILE 43 8.004 4.643 -11.127 327 2HD1 ILE 43 2HD1 ILE 43 7.391 6.136 -11.839 328 3HD1 ILE 43 3HD1 ILE 43 9.064 5.654 -12.110 329 H HIS 44 H HIS 44 5.818 3.412 -15.018 330 HA HIS 44 HA HIS 44 4.596 5.305 -16.995 331 1HB HIS 44 2HB HIS 44 4.812 2.658 -17.437 332 2HB HIS 44 1HB HIS 44 3.340 2.652 -16.470 333 HD1 HIS 44 HD1 HIS 44 2.670 1.828 -19.153 334 HD2 HIS 44 HD2 HIS 44 3.139 5.883 -18.298 335 HE1 HIS 44 HE1 HIS 44 1.467 3.093 -20.991 336 H GLU 45 H GLU 45 2.197 5.663 -16.411 337 HA GLU 45 HA GLU 45 1.781 5.417 -13.447 338 1HB GLU 45 2HB GLU 45 2.030 7.709 -15.205 339 2HB GLU 45 1HB GLU 45 0.465 7.719 -14.390 340 1HG GLU 45 2HG GLU 45 1.722 8.758 -12.762 341 2HG GLU 45 1HG GLU 45 1.986 7.078 -12.286 342 H LEU 46 H LEU 46 -0.459 5.307 -12.779 343 HA LEU 46 HA LEU 46 -2.455 4.795 -14.948 344 1HB LEU 46 2HB LEU 46 -1.178 2.782 -13.690 345 2HB LEU 46 1HB LEU 46 -2.462 3.069 -12.516 346 HG LEU 46 HG LEU 46 -4.150 2.846 -14.308 347 1HD1 LEU 46 1HD1 LEU 46 -2.477 1.616 -16.303 348 2HD1 LEU 46 2HD1 LEU 46 -1.894 3.248 -15.969 349 3HD1 LEU 46 3HD1 LEU 46 -3.566 2.994 -16.472 350 1HD2 LEU 46 1HD2 LEU 46 -3.251 0.353 -14.959 351 2HD2 LEU 46 2HD2 LEU 46 -4.004 0.748 -13.414 352 3HD2 LEU 46 3HD2 LEU 46 -2.247 0.708 -13.553 353 H PHE 47 H PHE 47 -4.602 5.389 -14.333 354 HA PHE 47 HA PHE 47 -4.905 6.571 -11.591 355 1HB PHE 47 2HB PHE 47 -4.655 7.912 -14.035 356 2HB PHE 47 1HB PHE 47 -6.383 7.952 -13.682 357 HD1 PHE 47 HD1 PHE 47 -3.284 8.102 -11.563 358 HD2 PHE 47 HD2 PHE 47 -6.999 9.957 -12.671 359 HE1 PHE 47 HE1 PHE 47 -2.899 9.880 -9.877 360 HE2 PHE 47 HE2 PHE 47 -6.613 11.737 -10.986 361 HZ PHE 47 HZ PHE 47 -4.562 11.698 -9.589 362 HA PRO 48 HA PRO 48 -8.572 4.003 -13.016 363 1HB PRO 48 2HB PRO 48 -8.126 1.685 -11.644 364 2HB PRO 48 1HB PRO 48 -7.529 1.960 -13.292 365 1HG PRO 48 2HG PRO 48 -6.062 2.022 -10.724 366 2HG PRO 48 1HG PRO 48 -5.497 1.576 -12.334 367 1HD PRO 48 2HD PRO 48 -5.014 4.008 -11.054 368 2HD PRO 48 1HD PRO 48 -4.817 3.686 -12.787 369 H ALA 49 H ALA 49 -9.293 5.798 -11.511 370 HA ALA 49 HA ALA 49 -9.304 5.854 -8.749 371 1HB ALA 49 1HB ALA 49 -11.810 6.246 -10.377 372 2HB ALA 49 2HB ALA 49 -10.426 7.323 -10.562 373 3HB ALA 49 3HB ALA 49 -11.238 7.190 -9.004 374 HA PRO 50 HA PRO 50 -11.387 2.122 -7.651 375 1HB PRO 50 2HB PRO 50 -11.482 2.555 -4.964 376 2HB PRO 50 1HB PRO 50 -9.994 2.108 -5.820 377 1HG PRO 50 2HG PRO 50 -10.792 4.702 -4.684 378 2HG PRO 50 1HG PRO 50 -9.178 4.069 -5.032 379 1HD PRO 50 2HD PRO 50 -10.676 5.927 -6.586 380 2HD PRO 50 1HD PRO 50 -9.118 5.190 -6.995 381 H ASP 51 H ASP 51 -13.173 1.808 -5.604 382 HA ASP 51 HA ASP 51 -15.394 3.717 -6.250 383 1HB ASP 51 2HB ASP 51 -15.417 1.453 -7.400 384 2HB ASP 51 1HB ASP 51 -15.591 0.727 -5.802 385 H GLY 52 H GLY 52 -13.478 2.311 -3.834 386 1HA GLY 52 2HA GLY 52 -14.021 3.472 -1.580 387 2HA GLY 52 1HA GLY 52 -15.593 2.692 -1.762 388 H GLU 53 H GLU 53 -14.579 0.234 -2.894 389 HA GLU 53 HA GLU 53 -13.283 -0.918 -0.465 390 1HB GLU 53 2HB GLU 53 -15.608 -1.562 -2.061 391 2HB GLU 53 1HB GLU 53 -14.495 -2.928 -2.027 392 1HG GLU 53 2HG GLU 53 -14.977 -1.535 0.558 393 2HG GLU 53 1HG GLU 53 -16.305 -2.503 -0.084 394 H GLU 54 H GLU 54 -13.333 -0.932 -4.007 395 HA GLU 54 HA GLU 54 -11.482 -2.936 -4.622 396 1HB GLU 54 2HB GLU 54 -12.376 -0.347 -5.751 397 2HB GLU 54 1HB GLU 54 -10.841 -0.950 -6.378 398 1HG GLU 54 2HG GLU 54 -11.890 -2.514 -7.610 399 2HG GLU 54 1HG GLU 54 -12.754 -3.110 -6.192 400 H ASP 55 H ASP 55 -9.785 -3.114 -3.078 401 HA ASP 55 HA ASP 55 -7.941 -0.769 -2.838 402 1HB ASP 55 2HB ASP 55 -7.130 -2.081 -0.842 403 2HB ASP 55 1HB ASP 55 -8.834 -1.636 -0.748 404 H THR 56 H THR 56 -8.010 -2.594 -5.191 405 HA THR 56 HA THR 56 -5.179 -3.555 -5.023 406 HB THR 56 HB THR 56 -5.892 -5.662 -6.072 407 HG1 THR 56 HG1 THR 56 -7.762 -5.760 -6.991 408 1HG2 THR 56 1HG2 THR 56 -6.450 -6.556 -4.072 409 2HG2 THR 56 2HG2 THR 56 -7.907 -5.572 -3.946 410 3HG2 THR 56 3HG2 THR 56 -6.349 -4.905 -3.461 411 H ALA 57 H ALA 57 -4.595 -4.329 -7.451 412 HA ALA 57 HA ALA 57 -5.898 -2.584 -9.477 413 1HB ALA 57 1HB ALA 57 -4.307 -1.019 -9.102 414 2HB ALA 57 2HB ALA 57 -3.186 -2.142 -9.872 415 3HB ALA 57 3HB ALA 57 -3.353 -2.127 -8.119 416 H GLU 58 H GLU 58 -5.457 -3.253 -11.637 417 HA GLU 58 HA GLU 58 -4.260 -5.985 -11.894 418 1HB GLU 58 2HB GLU 58 -6.419 -4.407 -13.259 419 2HB GLU 58 1HB GLU 58 -5.637 -5.731 -14.118 420 1HG GLU 58 2HG GLU 58 -7.191 -7.029 -13.087 421 2HG GLU 58 1HG GLU 58 -6.119 -6.893 -11.693 422 H LEU 59 H LEU 59 -2.058 -5.209 -12.130 423 HA LEU 59 HA LEU 59 -1.393 -3.283 -14.227 424 1HB LEU 59 2HB LEU 59 0.139 -5.103 -12.352 425 2HB LEU 59 1HB LEU 59 0.955 -4.091 -13.547 426 HG LEU 59 HG LEU 59 -0.826 -3.173 -11.276 427 1HD1 LEU 59 1HD1 LEU 59 1.228 -1.867 -10.688 428 2HD1 LEU 59 2HD1 LEU 59 2.080 -2.687 -11.998 429 3HD1 LEU 59 3HD1 LEU 59 1.479 -3.612 -10.623 430 1HD2 LEU 59 1HD2 LEU 59 -0.180 -0.859 -12.229 431 2HD2 LEU 59 2HD2 LEU 59 -1.434 -1.759 -13.081 432 3HD2 LEU 59 3HD2 LEU 59 0.212 -1.724 -13.716 433 H GLN 60 H GLN 60 -2.700 -4.718 -15.757 434 HA GLN 60 HA GLN 60 -1.417 -7.194 -16.655 435 1HB GLN 60 2HB GLN 60 -3.669 -5.608 -17.896 436 2HB GLN 60 1HB GLN 60 -3.377 -7.339 -18.027 437 1HG GLN 60 2HG GLN 60 -4.211 -7.781 -15.904 438 2HG GLN 60 1HG GLN 60 -3.770 -6.194 -15.281 439 1HE2 GLN 60 1HE2 GLN 60 -5.146 -4.327 -15.995 440 2HE2 GLN 60 2HE2 GLN 60 -6.761 -4.610 -16.436 441 H GLY 61 H GLY 61 0.194 -7.226 -18.175 442 1HA GLY 61 2HA GLY 61 0.866 -6.606 -20.488 443 2HA GLY 61 1HA GLY 61 0.332 -4.964 -20.129 444 H LEU 62 H LEU 62 2.603 -7.386 -18.751 445 HA LEU 62 HA LEU 62 4.560 -5.130 -18.382 446 1HB LEU 62 2HB LEU 62 4.540 -7.587 -16.646 447 2HB LEU 62 1HB LEU 62 5.058 -5.951 -16.247 448 HG LEU 62 HG LEU 62 2.171 -6.750 -16.741 449 1HD1 LEU 62 1HD1 LEU 62 3.724 -6.354 -14.169 450 2HD1 LEU 62 2HD1 LEU 62 2.937 -7.833 -14.717 451 3HD1 LEU 62 3HD1 LEU 62 1.966 -6.437 -14.253 452 1HD2 LEU 62 1HD2 LEU 62 3.317 -4.250 -15.456 453 2HD2 LEU 62 2HD2 LEU 62 1.642 -4.540 -15.924 454 3HD2 LEU 62 3HD2 LEU 62 2.882 -4.344 -17.162 455 H ARG 63 H ARG 63 6.839 -6.441 -17.799 456 HA ARG 63 HA ARG 63 7.432 -7.942 -20.289 457 1HB ARG 63 2HB ARG 63 9.240 -7.019 -18.033 458 2HB ARG 63 1HB ARG 63 9.739 -7.491 -19.657 459 1HG ARG 63 2HG ARG 63 7.722 -5.466 -19.874 460 2HG ARG 63 1HG ARG 63 8.967 -4.909 -18.757 461 1HD ARG 63 2HD ARG 63 10.345 -4.487 -20.503 462 2HD ARG 63 1HD ARG 63 10.255 -6.192 -20.984 463 HE ARG 63 HE ARG 63 7.963 -5.464 -22.021 464 1HH1 ARG 63 1HH1 ARG 63 10.951 -4.618 -23.020 465 2HH1 ARG 63 2HH1 ARG 63 10.512 -3.143 -23.814 466 1HH2 ARG 63 1HH2 ARG 63 7.310 -3.070 -22.487 467 2HH2 ARG 63 2HH2 ARG 63 8.452 -2.266 -23.511 468 HA PRO 64 HA PRO 64 7.295 -11.774 -18.106 469 1HB PRO 64 2HB PRO 64 8.468 -13.337 -20.012 470 2HB PRO 64 1HB PRO 64 6.799 -12.748 -20.133 471 1HG PRO 64 2HG PRO 64 9.251 -11.770 -21.492 472 2HG PRO 64 1HG PRO 64 7.584 -11.842 -22.081 473 1HD PRO 64 2HD PRO 64 8.828 -9.550 -21.158 474 2HD PRO 64 1HD PRO 64 7.070 -9.789 -21.233 475 H GLY 65 H GLY 65 8.681 -12.377 -16.501 476 1HA GLY 65 2HA GLY 65 10.672 -13.068 -15.454 477 2HA GLY 65 1HA GLY 65 11.446 -13.074 -17.038 478 H SER 66 H SER 66 10.185 -10.725 -14.630 479 HA SER 66 HA SER 66 12.725 -9.261 -14.697 480 1HB SER 66 2HB SER 66 10.247 -7.891 -15.744 481 2HB SER 66 1HB SER 66 11.906 -7.306 -15.805 482 HG SER 66 HG SER 66 11.565 -8.163 -17.779 483 H GLU 67 H GLU 67 12.946 -8.652 -12.580 484 HA GLU 67 HA GLU 67 10.781 -8.580 -10.688 485 1HB GLU 67 2HB GLU 67 13.212 -8.968 -10.215 486 2HB GLU 67 1HB GLU 67 13.520 -7.270 -10.590 487 1HG GLU 67 2HG GLU 67 12.013 -6.576 -8.777 488 2HG GLU 67 1HG GLU 67 11.654 -8.264 -8.414 489 H TYR 68 H TYR 68 9.211 -7.140 -11.733 490 HA TYR 68 HA TYR 68 9.870 -4.403 -12.412 491 1HB TYR 68 2HB TYR 68 7.700 -6.242 -12.583 492 2HB TYR 68 1HB TYR 68 7.099 -4.779 -11.800 493 HD1 TYR 68 HD1 TYR 68 8.172 -6.275 -14.905 494 HD2 TYR 68 HD2 TYR 68 7.550 -2.529 -12.898 495 HE1 TYR 68 HE1 TYR 68 8.159 -5.106 -17.091 496 HE2 TYR 68 HE2 TYR 68 7.532 -1.359 -15.085 497 HH TYR 68 HH TYR 68 7.034 -2.754 -17.911 498 H THR 69 H THR 69 9.784 -2.583 -11.137 499 HA THR 69 HA THR 69 9.205 -2.985 -8.236 500 HB THR 69 HB THR 69 10.302 -0.457 -8.639 501 HG1 THR 69 HG1 THR 69 11.206 -0.527 -10.517 502 1HG2 THR 69 1HG2 THR 69 10.879 -2.420 -7.044 503 2HG2 THR 69 2HG2 THR 69 12.186 -1.347 -7.546 504 3HG2 THR 69 3HG2 THR 69 11.996 -2.924 -8.311 505 H VAL 70 H VAL 70 6.941 -2.699 -8.109 506 HA VAL 70 HA VAL 70 5.736 -0.347 -9.457 507 HB VAL 70 HB VAL 70 4.456 -2.532 -7.807 508 1HG1 VAL 70 1HG1 VAL 70 3.416 -0.632 -9.931 509 2HG1 VAL 70 2HG1 VAL 70 3.027 -0.590 -8.211 510 3HG1 VAL 70 3HG1 VAL 70 2.477 -1.936 -9.206 511 1HG2 VAL 70 1HG2 VAL 70 3.950 -3.358 -10.266 512 2HG2 VAL 70 2HG2 VAL 70 5.480 -3.777 -9.495 513 3HG2 VAL 70 3HG2 VAL 70 5.411 -2.449 -10.654 514 H SER 71 H SER 71 4.550 1.245 -8.264 515 HA SER 71 HA SER 71 5.141 1.310 -5.323 516 1HB SER 71 2HB SER 71 6.167 2.906 -7.369 517 2HB SER 71 1HB SER 71 4.908 3.901 -6.643 518 HG SER 71 HG SER 71 5.890 3.526 -4.624 519 H VAL 72 H VAL 72 3.244 1.380 -4.173 520 HA VAL 72 HA VAL 72 0.728 2.186 -5.527 521 HB VAL 72 HB VAL 72 1.406 1.018 -2.807 522 1HG1 VAL 72 1HG1 VAL 72 -1.186 0.490 -3.019 523 2HG1 VAL 72 2HG1 VAL 72 -1.171 1.928 -4.039 524 3HG1 VAL 72 3HG1 VAL 72 -0.638 2.031 -2.362 525 1HG2 VAL 72 1HG2 VAL 72 0.402 -1.030 -3.773 526 2HG2 VAL 72 2HG2 VAL 72 1.791 -0.492 -4.720 527 3HG2 VAL 72 3HG2 VAL 72 0.154 -0.182 -5.301 528 H VAL 73 H VAL 73 -0.225 4.182 -5.164 529 HA VAL 73 HA VAL 73 0.638 5.760 -2.777 530 HB VAL 73 HB VAL 73 0.580 6.801 -5.618 531 1HG1 VAL 73 1HG1 VAL 73 0.326 8.560 -3.987 532 2HG1 VAL 73 2HG1 VAL 73 1.997 8.604 -4.553 533 3HG1 VAL 73 3HG1 VAL 73 1.615 7.890 -2.986 534 1HG2 VAL 73 1HG2 VAL 73 3.152 6.764 -5.204 535 2HG2 VAL 73 2HG2 VAL 73 2.354 5.258 -5.656 536 3HG2 VAL 73 3HG2 VAL 73 2.777 5.561 -3.971 537 H ALA 74 H ALA 74 -1.104 6.722 -1.830 538 HA ALA 74 HA ALA 74 -3.711 6.720 -3.250 539 1HB ALA 74 1HB ALA 74 -3.073 7.563 -0.412 540 2HB ALA 74 2HB ALA 74 -3.251 5.868 -0.865 541 3HB ALA 74 3HB ALA 74 -4.612 6.977 -1.044 542 H LEU 75 H LEU 75 -5.044 8.777 -3.081 543 HA LEU 75 HA LEU 75 -3.297 11.212 -3.023 544 1HB LEU 75 2HB LEU 75 -5.549 10.633 -4.964 545 2HB LEU 75 1HB LEU 75 -4.417 11.983 -5.025 546 HG LEU 75 HG LEU 75 -3.435 9.140 -5.074 547 1HD1 LEU 75 1HD1 LEU 75 -4.517 10.818 -7.339 548 2HD1 LEU 75 2HD1 LEU 75 -4.889 9.139 -6.946 549 3HD1 LEU 75 3HD1 LEU 75 -3.314 9.560 -7.621 550 1HD2 LEU 75 1HD2 LEU 75 -2.371 11.882 -5.672 551 2HD2 LEU 75 2HD2 LEU 75 -1.678 10.494 -6.508 552 3HD2 LEU 75 3HD2 LEU 75 -1.629 10.576 -4.747 553 H HIS 76 H HIS 76 -4.928 13.195 -3.233 554 HA HIS 76 HA HIS 76 -7.517 12.993 -1.973 555 1HB HIS 76 2HB HIS 76 -6.020 12.384 -0.075 556 2HB HIS 76 1HB HIS 76 -5.163 13.912 -0.279 557 HD1 HIS 76 HD1 HIS 76 -7.186 16.023 -0.426 558 HD2 HIS 76 HD2 HIS 76 -7.814 12.682 1.990 559 HE1 HIS 76 HE1 HIS 76 -8.934 16.691 1.279 560 H ASP 77 H ASP 77 -7.625 14.379 -3.979 561 HA ASP 77 HA ASP 77 -8.060 16.572 -4.813 562 1HB ASP 77 2HB ASP 77 -8.201 16.936 -2.188 563 2HB ASP 77 1HB ASP 77 -6.651 17.744 -2.431 564 H ASP 78 H ASP 78 -4.905 16.269 -3.131 565 HA ASP 78 HA ASP 78 -3.348 16.428 -5.526 566 1HB ASP 78 2HB ASP 78 -2.514 18.798 -5.104 567 2HB ASP 78 1HB ASP 78 -4.184 18.687 -5.665 568 H MET 79 H MET 79 -3.401 14.977 -2.995 569 HA MET 79 HA MET 79 -1.023 15.949 -1.510 570 1HB MET 79 2HB MET 79 -3.445 14.579 -0.945 571 2HB MET 79 1HB MET 79 -2.127 13.460 -0.590 572 1HG MET 79 2HG MET 79 -2.537 14.743 1.405 573 2HG MET 79 1HG MET 79 -1.019 15.315 0.711 574 1HE MET 79 1HE MET 79 -5.043 16.757 1.198 575 2HE MET 79 2HE MET 79 -4.021 17.514 2.416 576 3HE MET 79 3HE MET 79 -3.956 15.769 2.187 577 H GLU 80 H GLU 80 0.474 14.043 -0.793 578 HA GLU 80 HA GLU 80 0.894 12.045 -2.971 579 1HB GLU 80 2HB GLU 80 2.711 14.255 -2.022 580 2HB GLU 80 1HB GLU 80 3.409 12.765 -2.660 581 1HG GLU 80 2HG GLU 80 1.283 13.612 -4.397 582 2HG GLU 80 1HG GLU 80 2.383 14.966 -4.134 583 H SER 81 H SER 81 -0.113 10.932 -0.909 584 HA SER 81 HA SER 81 1.290 10.600 1.521 585 1HB SER 81 2HB SER 81 -0.184 8.372 0.137 586 2HB SER 81 1HB SER 81 -0.196 8.800 1.846 587 HG SER 81 HG SER 81 -1.904 9.916 1.359 588 H GLN 82 H GLN 82 2.924 9.172 2.196 589 HA GLN 82 HA GLN 82 5.082 8.507 0.630 590 1HB GLN 82 2HB GLN 82 5.429 6.659 2.338 591 2HB GLN 82 1HB GLN 82 5.083 8.247 3.024 592 1HG GLN 82 2HG GLN 82 2.561 7.125 2.609 593 2HG GLN 82 1HG GLN 82 3.538 5.784 3.211 594 1HE2 GLN 82 1HE2 GLN 82 2.373 9.052 4.008 595 2HE2 GLN 82 2HE2 GLN 82 2.712 8.950 5.667 596 HA PRO 83 HA PRO 83 3.245 5.545 -2.161 597 1HB PRO 83 2HB PRO 83 5.499 5.148 -3.659 598 2HB PRO 83 1HB PRO 83 4.452 6.569 -3.842 599 1HG PRO 83 2HG PRO 83 7.043 6.306 -2.394 600 2HG PRO 83 1HG PRO 83 6.431 7.645 -3.382 601 1HD PRO 83 2HD PRO 83 6.403 7.663 -0.655 602 2HD PRO 83 1HD PRO 83 5.224 8.544 -1.653 603 H LEU 84 H LEU 84 2.995 3.428 -1.532 604 HA LEU 84 HA LEU 84 5.104 2.048 -0.004 605 1HB LEU 84 2HB LEU 84 2.776 1.857 0.664 606 2HB LEU 84 1HB LEU 84 2.318 1.318 -0.951 607 HG LEU 84 HG LEU 84 3.663 -0.712 -0.687 608 1HD1 LEU 84 1HD1 LEU 84 5.356 -0.755 0.794 609 2HD1 LEU 84 2HD1 LEU 84 4.197 -0.635 2.119 610 3HD1 LEU 84 3HD1 LEU 84 4.871 0.828 1.401 611 1HD2 LEU 84 1HD2 LEU 84 1.374 -0.875 0.071 612 2HD2 LEU 84 2HD2 LEU 84 1.775 -0.105 1.607 613 3HD2 LEU 84 3HD2 LEU 84 2.383 -1.718 1.246 614 H ILE 85 H ILE 85 6.767 1.266 -1.260 615 HA ILE 85 HA ILE 85 6.671 0.596 -4.010 616 HB ILE 85 HB ILE 85 8.405 -0.122 -1.657 617 1HG1 ILE 85 2HG1 ILE 85 8.310 2.177 -2.866 618 2HG1 ILE 85 1HG1 ILE 85 9.896 1.459 -2.595 619 1HG2 ILE 85 1HG2 ILE 85 10.019 -1.124 -3.292 620 2HG2 ILE 85 2HG2 ILE 85 8.764 -1.044 -4.528 621 3HG2 ILE 85 3HG2 ILE 85 8.543 -2.074 -3.114 622 1HD1 ILE 85 1HD1 ILE 85 8.379 0.964 -5.156 623 2HD1 ILE 85 2HD1 ILE 85 10.107 0.780 -4.852 624 3HD1 ILE 85 3HD1 ILE 85 9.396 2.391 -4.958 625 H GLY 86 H GLY 86 6.775 -1.544 -5.005 626 1HA GLY 86 2HA GLY 86 5.864 -3.868 -3.453 627 2HA GLY 86 1HA GLY 86 4.719 -3.284 -4.665 628 H THR 87 H THR 87 8.083 -4.373 -4.282 629 HA THR 87 HA THR 87 8.476 -4.726 -7.160 630 HB THR 87 HB THR 87 10.137 -5.929 -4.955 631 HG1 THR 87 HG1 THR 87 10.395 -4.029 -4.148 632 1HG2 THR 87 1HG2 THR 87 10.532 -4.926 -7.743 633 2HG2 THR 87 2HG2 THR 87 11.169 -6.380 -6.975 634 3HG2 THR 87 3HG2 THR 87 11.880 -4.807 -6.613 635 H GLN 88 H GLN 88 8.920 -6.848 -8.148 636 HA GLN 88 HA GLN 88 8.356 -9.348 -6.826 637 1HB GLN 88 2HB GLN 88 6.114 -8.192 -6.818 638 2HB GLN 88 1HB GLN 88 6.158 -8.211 -8.581 639 1HG GLN 88 2HG GLN 88 6.433 -10.719 -6.908 640 2HG GLN 88 1HG GLN 88 4.882 -10.132 -7.508 641 1HE2 GLN 88 1HE2 GLN 88 6.293 -12.639 -8.309 642 2HE2 GLN 88 2HE2 GLN 88 6.541 -12.514 -9.984 643 H SER 89 H SER 89 8.953 -11.064 -8.204 644 HA SER 89 HA SER 89 10.146 -10.335 -10.799 645 1HB SER 89 2HB SER 89 10.034 -12.722 -8.983 646 2HB SER 89 1HB SER 89 10.590 -12.932 -10.640 647 HG SER 89 HG SER 89 11.935 -10.951 -10.023 648 H THR 90 H THR 90 8.577 -10.041 -12.387 649 HA THR 90 HA THR 90 6.066 -11.319 -12.606 650 HB THR 90 HB THR 90 7.262 -10.799 -15.187 651 HG1 THR 90 HG1 THR 90 7.509 -8.636 -13.409 652 1HG2 THR 90 1HG2 THR 90 5.616 -8.914 -15.116 653 2HG2 THR 90 2HG2 THR 90 5.285 -9.328 -13.435 654 3HG2 THR 90 3HG2 THR 90 4.911 -10.480 -14.717 655 H ALA 91 H ALA 91 5.698 -13.501 -12.757 656 HA ALA 91 HA ALA 91 7.541 -15.536 -13.380 657 1HB ALA 91 1HB ALA 91 5.647 -16.914 -13.359 658 2HB ALA 91 2HB ALA 91 4.651 -15.707 -14.174 659 3HB ALA 91 3HB ALA 91 5.072 -15.500 -12.475 660 H ILE 92 H ILE 92 6.784 -17.066 -15.441 661 HA ILE 92 HA ILE 92 6.689 -15.361 -17.874 662 HB ILE 92 HB ILE 92 8.648 -16.876 -18.689 663 1HG1 ILE 92 2HG1 ILE 92 10.100 -17.714 -16.923 664 2HG1 ILE 92 1HG1 ILE 92 9.035 -17.060 -15.680 665 1HG2 ILE 92 1HG2 ILE 92 10.242 -15.271 -17.825 666 2HG2 ILE 92 2HG2 ILE 92 9.154 -14.842 -16.504 667 3HG2 ILE 92 3HG2 ILE 92 8.731 -14.428 -18.166 668 1HD1 ILE 92 1HD1 ILE 92 7.395 -18.680 -16.048 669 2HD1 ILE 92 2HD1 ILE 92 8.868 -19.601 -16.324 670 3HD1 ILE 92 3HD1 ILE 92 7.938 -18.998 -17.691 671 HA PRO 93 HA PRO 93 4.735 -19.714 -18.165 672 1HB PRO 93 2HB PRO 93 2.167 -19.260 -17.385 673 2HB PRO 93 1HB PRO 93 3.433 -19.799 -16.265 674 1HG PRO 93 2HG PRO 93 2.297 -17.081 -16.664 675 2HG PRO 93 1HG PRO 93 2.817 -17.880 -15.173 676 1HD PRO 93 2HD PRO 93 4.309 -16.004 -16.502 677 2HD PRO 93 1HD PRO 93 4.988 -17.252 -15.446 678 H ALA 94 H ALA 94 5.235 -17.911 -20.135 679 HA ALA 94 HA ALA 94 2.832 -16.862 -21.404 680 1HB ALA 94 1HB ALA 94 4.912 -15.744 -21.754 681 2HB ALA 94 2HB ALA 94 4.553 -16.541 -23.286 682 3HB ALA 94 3HB ALA 94 5.729 -17.248 -22.177 Start of MODEL 7 1 1H ASN 1 1H ASN 1 -7.967 13.967 3.620 2 2H ASN 1 2H ASN 1 -8.754 14.939 4.769 3 3H ASN 1 3H ASN 1 -9.226 13.321 4.554 4 HA ASN 1 HA ASN 1 -6.595 14.227 5.614 5 1HB ASN 1 2HB ASN 1 -8.692 14.566 6.984 6 2HB ASN 1 1HB ASN 1 -8.917 12.820 6.939 7 1HD2 ASN 1 1HD2 ASN 1 -5.841 14.651 7.275 8 2HD2 ASN 1 2HD2 ASN 1 -5.437 13.990 8.785 9 H ILE 2 H ILE 2 -5.646 12.751 3.985 10 HA ILE 2 HA ILE 2 -6.306 9.996 3.717 11 HB ILE 2 HB ILE 2 -4.659 11.731 2.489 12 1HG1 ILE 2 2HG1 ILE 2 -3.485 9.099 2.178 13 2HG1 ILE 2 1HG1 ILE 2 -5.242 8.982 2.297 14 1HG2 ILE 2 1HG2 ILE 2 -3.143 11.434 4.655 15 2HG2 ILE 2 2HG2 ILE 2 -2.418 11.598 3.056 16 3HG2 ILE 2 3HG2 ILE 2 -2.587 10.003 3.788 17 1HD1 ILE 2 1HD1 ILE 2 -4.401 9.335 -0.055 18 2HD1 ILE 2 2HD1 ILE 2 -3.808 10.916 0.454 19 3HD1 ILE 2 3HD1 ILE 2 -5.538 10.568 0.493 20 H ASP 3 H ASP 3 -4.588 8.227 4.464 21 HA ASP 3 HA ASP 3 -3.673 8.767 7.248 22 1HB ASP 3 2HB ASP 3 -6.040 7.512 6.615 23 2HB ASP 3 1HB ASP 3 -4.938 6.150 6.813 24 H ARG 4 H ARG 4 -2.800 7.738 4.256 25 HA ARG 4 HA ARG 4 -0.985 6.474 3.448 26 1HB ARG 4 2HB ARG 4 -0.168 6.568 6.354 27 2HB ARG 4 1HB ARG 4 0.890 6.462 4.950 28 1HG ARG 4 2HG ARG 4 0.916 8.702 4.736 29 2HG ARG 4 1HG ARG 4 -0.848 8.748 4.681 30 1HD ARG 4 2HD ARG 4 -0.746 8.466 7.260 31 2HD ARG 4 1HD ARG 4 0.956 8.943 7.098 32 HE ARG 4 HE ARG 4 -1.380 10.650 6.438 33 1HH1 ARG 4 1HH1 ARG 4 0.733 11.594 8.293 34 2HH1 ARG 4 2HH1 ARG 4 1.715 12.593 7.275 35 1HH2 ARG 4 1HH2 ARG 4 0.435 11.301 4.323 36 2HH2 ARG 4 2HH2 ARG 4 1.547 12.426 5.026 37 HA PRO 5 HA PRO 5 -2.597 2.448 4.627 38 1HB PRO 5 2HB PRO 5 -1.872 1.183 2.321 39 2HB PRO 5 1HB PRO 5 -3.318 2.204 2.448 40 1HG PRO 5 2HG PRO 5 -0.676 2.813 1.237 41 2HG PRO 5 1HG PRO 5 -2.294 3.342 0.749 42 1HD PRO 5 2HD PRO 5 -0.477 4.896 2.147 43 2HD PRO 5 1HD PRO 5 -2.233 5.170 2.106 44 H LYS 6 H LYS 6 -1.384 0.117 4.149 45 HA LYS 6 HA LYS 6 1.456 0.001 4.091 46 1HB LYS 6 2HB LYS 6 0.466 1.234 6.364 47 2HB LYS 6 1HB LYS 6 0.744 -0.424 6.900 48 1HG LYS 6 2HG LYS 6 2.954 0.311 5.280 49 2HG LYS 6 1HG LYS 6 2.674 1.634 6.412 50 1HD LYS 6 2HD LYS 6 2.669 0.029 8.292 51 2HD LYS 6 1HD LYS 6 2.965 -1.290 7.157 52 1HE LYS 6 2HE LYS 6 5.050 0.068 6.417 53 2HE LYS 6 1HE LYS 6 4.821 0.962 7.934 54 1HZ LYS 6 1HZ LYS 6 4.941 -1.998 7.719 55 2HZ LYS 6 2HZ LYS 6 4.818 -1.094 9.152 56 3HZ LYS 6 3HZ LYS 6 6.234 -1.020 8.216 57 H GLY 7 H GLY 7 2.129 -2.176 4.144 58 1HA GLY 7 2HA GLY 7 1.944 -4.512 4.626 59 2HA GLY 7 1HA GLY 7 0.325 -4.226 5.264 60 H LEU 8 H LEU 8 1.872 -3.586 2.097 61 HA LEU 8 HA LEU 8 -0.557 -4.267 0.658 62 1HB LEU 8 2HB LEU 8 0.570 -2.981 -0.831 63 2HB LEU 8 1HB LEU 8 1.970 -2.985 0.232 64 HG LEU 8 HG LEU 8 2.517 -5.292 -0.827 65 1HD1 LEU 8 1HD1 LEU 8 1.616 -5.595 -3.103 66 2HD1 LEU 8 2HD1 LEU 8 0.611 -4.161 -2.902 67 3HD1 LEU 8 3HD1 LEU 8 0.312 -5.592 -1.915 68 1HD2 LEU 8 1HD2 LEU 8 2.632 -2.866 -2.645 69 2HD2 LEU 8 2HD2 LEU 8 3.761 -4.219 -2.597 70 3HD2 LEU 8 3HD2 LEU 8 3.689 -3.084 -1.251 71 H ALA 9 H ALA 9 -1.095 -6.230 -0.295 72 HA ALA 9 HA ALA 9 0.896 -8.465 -0.058 73 1HB ALA 9 1HB ALA 9 -2.100 -8.759 0.152 74 2HB ALA 9 2HB ALA 9 -1.133 -8.308 1.557 75 3HB ALA 9 3HB ALA 9 -0.848 -9.849 0.748 76 H PHE 10 H PHE 10 0.210 -10.340 -1.579 77 HA PHE 10 HA PHE 10 -0.813 -9.199 -4.164 78 1HB PHE 10 2HB PHE 10 1.287 -11.323 -3.629 79 2HB PHE 10 1HB PHE 10 0.804 -10.743 -5.223 80 HD1 PHE 10 HD1 PHE 10 2.174 -9.576 -1.944 81 HD2 PHE 10 HD2 PHE 10 1.824 -8.848 -6.162 82 HE1 PHE 10 HE1 PHE 10 3.789 -7.703 -1.754 83 HE2 PHE 10 HE2 PHE 10 3.438 -6.975 -5.973 84 HZ PHE 10 HZ PHE 10 4.421 -6.403 -3.768 85 H THR 11 H THR 11 -2.148 -10.608 -5.431 86 HA THR 11 HA THR 11 -3.268 -12.933 -3.919 87 HB THR 11 HB THR 11 -4.353 -10.890 -5.852 88 HG1 THR 11 HG1 THR 11 -5.882 -10.708 -4.184 89 1HG2 THR 11 1HG2 THR 11 -6.450 -12.625 -5.297 90 2HG2 THR 11 2HG2 THR 11 -5.102 -13.699 -5.669 91 3HG2 THR 11 3HG2 THR 11 -5.606 -12.478 -6.837 92 H ASP 12 H ASP 12 -2.488 -11.826 -7.241 93 HA ASP 12 HA ASP 12 -1.590 -14.560 -7.923 94 1HB ASP 12 2HB ASP 12 -4.160 -14.104 -8.266 95 2HB ASP 12 1HB ASP 12 -3.615 -13.215 -9.690 96 H VAL 13 H VAL 13 0.376 -14.155 -8.871 97 HA VAL 13 HA VAL 13 0.709 -11.650 -10.461 98 HB VAL 13 HB VAL 13 2.143 -12.292 -8.431 99 1HG1 VAL 13 1HG1 VAL 13 2.360 -14.691 -9.028 100 2HG1 VAL 13 2HG1 VAL 13 3.935 -13.918 -8.856 101 3HG1 VAL 13 3HG1 VAL 13 3.281 -14.238 -10.462 102 1HG2 VAL 13 1HG2 VAL 13 2.988 -10.566 -9.804 103 2HG2 VAL 13 2HG2 VAL 13 3.261 -11.660 -11.160 104 3HG2 VAL 13 3HG2 VAL 13 4.306 -11.736 -9.741 105 H ASP 14 H ASP 14 1.930 -11.835 -12.500 106 HA ASP 14 HA ASP 14 2.241 -14.517 -13.698 107 1HB ASP 14 2HB ASP 14 -0.124 -14.084 -14.014 108 2HB ASP 14 1HB ASP 14 0.211 -12.456 -14.601 109 H VAL 15 H VAL 15 3.389 -14.368 -15.793 110 HA VAL 15 HA VAL 15 5.553 -12.658 -15.947 111 HB VAL 15 HB VAL 15 5.357 -14.574 -17.365 112 1HG1 VAL 15 1HG1 VAL 15 3.529 -14.252 -19.305 113 2HG1 VAL 15 2HG1 VAL 15 2.731 -13.336 -18.029 114 3HG1 VAL 15 3HG1 VAL 15 3.143 -15.030 -17.772 115 1HG2 VAL 15 1HG2 VAL 15 6.657 -12.986 -18.519 116 2HG2 VAL 15 2HG2 VAL 15 5.267 -11.962 -18.866 117 3HG2 VAL 15 3HG2 VAL 15 5.466 -13.492 -19.714 118 H ASP 16 H ASP 16 2.230 -11.970 -16.883 119 HA ASP 16 HA ASP 16 2.956 -9.111 -17.259 120 1HB ASP 16 2HB ASP 16 1.859 -9.067 -19.441 121 2HB ASP 16 1HB ASP 16 3.100 -10.321 -19.452 122 H SER 17 H SER 17 1.466 -10.549 -15.182 123 HA SER 17 HA SER 17 -0.989 -8.943 -15.211 124 1HB SER 17 2HB SER 17 -0.923 -11.614 -16.216 125 2HB SER 17 1HB SER 17 -1.836 -11.623 -14.711 126 HG SER 17 HG SER 17 -2.261 -9.638 -16.672 127 H ILE 18 H ILE 18 -1.135 -8.243 -13.114 128 HA ILE 18 HA ILE 18 -0.573 -10.184 -10.920 129 HB ILE 18 HB ILE 18 0.654 -7.424 -11.231 130 1HG1 ILE 18 2HG1 ILE 18 1.922 -10.182 -11.383 131 2HG1 ILE 18 1HG1 ILE 18 1.604 -9.138 -12.767 132 1HG2 ILE 18 1HG2 ILE 18 0.556 -9.431 -9.023 133 2HG2 ILE 18 2HG2 ILE 18 0.609 -7.670 -8.940 134 3HG2 ILE 18 3HG2 ILE 18 2.079 -8.581 -9.281 135 1HD1 ILE 18 1HD1 ILE 18 3.969 -9.016 -11.874 136 2HD1 ILE 18 2HD1 ILE 18 3.302 -8.287 -10.413 137 3HD1 ILE 18 3HD1 ILE 18 3.131 -7.466 -11.965 138 H LYS 19 H LYS 19 -2.307 -10.081 -9.557 139 HA LYS 19 HA LYS 19 -3.905 -7.559 -9.427 140 1HB LYS 19 2HB LYS 19 -4.955 -9.768 -10.033 141 2HB LYS 19 1HB LYS 19 -4.505 -10.368 -8.438 142 1HG LYS 19 2HG LYS 19 -5.997 -7.786 -8.553 143 2HG LYS 19 1HG LYS 19 -6.901 -9.262 -8.902 144 1HD LYS 19 2HD LYS 19 -6.186 -10.241 -6.776 145 2HD LYS 19 1HD LYS 19 -5.200 -8.817 -6.431 146 1HE LYS 19 2HE LYS 19 -7.064 -8.066 -5.330 147 2HE LYS 19 1HE LYS 19 -7.674 -7.696 -6.956 148 1HZ LYS 19 1HZ LYS 19 -8.086 -10.178 -5.386 149 2HZ LYS 19 2HZ LYS 19 -8.403 -10.084 -7.053 150 3HZ LYS 19 3HZ LYS 19 -9.269 -9.108 -5.963 151 H ILE 20 H ILE 20 -2.901 -6.292 -7.835 152 HA ILE 20 HA ILE 20 -2.219 -7.647 -5.245 153 HB ILE 20 HB ILE 20 -0.654 -5.792 -4.965 154 1HG1 ILE 20 2HG1 ILE 20 -1.840 -4.758 -7.563 155 2HG1 ILE 20 1HG1 ILE 20 -2.074 -4.036 -5.970 156 1HG2 ILE 20 1HG2 ILE 20 -0.696 -7.434 -7.430 157 2HG2 ILE 20 2HG2 ILE 20 0.551 -7.294 -6.191 158 3HG2 ILE 20 3HG2 ILE 20 0.416 -6.066 -7.448 159 1HD1 ILE 20 1HD1 ILE 20 -0.183 -2.854 -6.267 160 2HD1 ILE 20 2HD1 ILE 20 0.116 -3.667 -7.803 161 3HD1 ILE 20 3HD1 ILE 20 0.721 -4.367 -6.302 162 H ALA 21 H ALA 21 -2.791 -6.557 -3.274 163 HA ALA 21 HA ALA 21 -4.923 -4.464 -3.529 164 1HB ALA 21 1HB ALA 21 -5.150 -6.368 -1.294 165 2HB ALA 21 2HB ALA 21 -5.283 -7.126 -2.881 166 3HB ALA 21 3HB ALA 21 -6.385 -5.826 -2.431 167 H TRP 22 H TRP 22 -4.645 -2.758 -2.076 168 HA TRP 22 HA TRP 22 -2.474 -3.097 -0.027 169 1HB TRP 22 2HB TRP 22 -2.181 -0.606 -0.397 170 2HB TRP 22 1HB TRP 22 -1.799 -1.608 -1.796 171 HD1 TRP 22 HD1 TRP 22 -4.811 0.371 -0.388 172 HE1 TRP 22 HE1 TRP 22 -6.146 1.320 -2.381 173 HE3 TRP 22 HE3 TRP 22 -2.154 -1.637 -4.256 174 HZ2 TRP 22 HZ2 TRP 22 -6.084 1.241 -5.238 175 HZ3 TRP 22 HZ3 TRP 22 -2.810 -1.179 -6.604 176 HH2 TRP 22 HH2 TRP 22 -4.772 0.258 -7.096 177 H GLU 23 H GLU 23 -2.769 -1.899 1.975 178 HA GLU 23 HA GLU 23 -5.254 -2.145 3.244 179 1HB GLU 23 2HB GLU 23 -2.922 -1.678 4.179 180 2HB GLU 23 1HB GLU 23 -3.211 0.020 3.794 181 1HG GLU 23 2HG GLU 23 -4.836 0.262 5.418 182 2HG GLU 23 1HG GLU 23 -5.311 -1.437 5.340 183 H SER 24 H SER 24 -7.013 -0.719 3.585 184 HA SER 24 HA SER 24 -7.397 1.339 1.512 185 1HB SER 24 2HB SER 24 -9.682 1.322 2.391 186 2HB SER 24 1HB SER 24 -9.118 -0.335 2.188 187 HG SER 24 HG SER 24 -9.577 1.156 4.510 188 HA PRO 25 HA PRO 25 -6.396 4.726 4.107 189 1HB PRO 25 2HB PRO 25 -7.909 6.681 2.940 190 2HB PRO 25 1HB PRO 25 -6.439 6.022 2.199 191 1HG PRO 25 2HG PRO 25 -9.282 5.475 1.559 192 2HG PRO 25 1HG PRO 25 -7.869 5.519 0.496 193 1HD PRO 25 2HD PRO 25 -9.074 3.210 1.441 194 2HD PRO 25 1HD PRO 25 -7.417 3.317 0.810 195 H GLN 26 H GLN 26 -7.857 6.759 5.105 196 HA GLN 26 HA GLN 26 -10.322 5.537 6.300 197 1HB GLN 26 2HB GLN 26 -8.073 7.028 7.690 198 2HB GLN 26 1HB GLN 26 -9.537 6.437 8.477 199 1HG GLN 26 2HG GLN 26 -7.848 4.522 6.899 200 2HG GLN 26 1HG GLN 26 -7.348 4.974 8.529 201 1HE2 GLN 26 1HE2 GLN 26 -8.270 3.747 10.185 202 2HE2 GLN 26 2HE2 GLN 26 -9.695 2.835 10.041 203 H GLY 27 H GLY 27 -9.118 8.051 4.514 204 1HA GLY 27 2HA GLY 27 -11.203 9.919 5.577 205 2HA GLY 27 1HA GLY 27 -9.638 10.501 5.010 206 H GLN 28 H GLN 28 -11.680 7.991 3.535 207 HA GLN 28 HA GLN 28 -12.459 7.831 1.301 208 1HB GLN 28 2HB GLN 28 -13.926 9.529 2.507 209 2HB GLN 28 1HB GLN 28 -12.948 10.787 1.748 210 1HG GLN 28 2HG GLN 28 -13.491 9.764 -0.485 211 2HG GLN 28 1HG GLN 28 -14.607 8.677 0.341 212 1HE2 GLN 28 1HE2 GLN 28 -14.995 11.108 -1.586 213 2HE2 GLN 28 2HE2 GLN 28 -16.173 12.040 -0.797 214 H VAL 29 H VAL 29 -10.578 7.490 0.041 215 HA VAL 29 HA VAL 29 -8.798 9.715 -0.636 216 HB VAL 29 HB VAL 29 -8.545 7.014 -0.365 217 1HG1 VAL 29 1HG1 VAL 29 -9.812 6.566 -2.451 218 2HG1 VAL 29 2HG1 VAL 29 -8.140 6.020 -2.579 219 3HG1 VAL 29 3HG1 VAL 29 -8.639 7.522 -3.356 220 1HG2 VAL 29 1HG2 VAL 29 -6.392 7.413 -1.842 221 2HG2 VAL 29 2HG2 VAL 29 -6.579 8.244 -0.299 222 3HG2 VAL 29 3HG2 VAL 29 -6.935 9.089 -1.805 223 H SER 30 H SER 30 -8.421 10.360 -2.916 224 HA SER 30 HA SER 30 -10.933 10.206 -4.549 225 1HB SER 30 2HB SER 30 -8.804 12.314 -4.162 226 2HB SER 30 1HB SER 30 -9.976 12.400 -5.472 227 HG SER 30 HG SER 30 -10.811 13.504 -3.728 228 H ARG 31 H ARG 31 -7.614 9.357 -4.425 229 HA ARG 31 HA ARG 31 -7.634 7.985 -6.926 230 1HB ARG 31 2HB ARG 31 -7.257 10.837 -7.007 231 2HB ARG 31 1HB ARG 31 -5.800 10.030 -7.587 232 1HG ARG 31 2HG ARG 31 -6.824 9.275 -9.466 233 2HG ARG 31 1HG ARG 31 -8.294 8.841 -8.595 234 1HD ARG 31 2HD ARG 31 -9.310 10.828 -9.088 235 2HD ARG 31 1HD ARG 31 -7.821 11.755 -8.807 236 HE ARG 31 HE ARG 31 -8.429 10.259 -11.325 237 1HH1 ARG 31 1HH2 ARG 31 -7.617 13.220 -9.994 238 2HH1 ARG 31 2HH2 ARG 31 -6.355 13.586 -11.123 239 1HH2 ARG 31 1HH1 ARG 31 -6.381 10.440 -12.579 240 2HH2 ARG 31 2HH1 ARG 31 -5.658 12.014 -12.588 241 H TYR 32 H TYR 32 -5.923 6.570 -6.903 242 HA TYR 32 HA TYR 32 -3.652 7.194 -5.046 243 1HB TYR 32 2HB TYR 32 -3.546 4.683 -4.811 244 2HB TYR 32 1HB TYR 32 -5.048 5.391 -4.217 245 HD1 TYR 32 HD1 TYR 32 -3.508 3.264 -6.752 246 HD2 TYR 32 HD2 TYR 32 -7.139 5.215 -5.551 247 HE1 TYR 32 HE1 TYR 32 -4.795 1.829 -8.313 248 HE2 TYR 32 HE2 TYR 32 -8.427 3.779 -7.112 249 HH TYR 32 HH TYR 32 -7.351 1.007 -8.366 250 H ARG 33 H ARG 33 -1.740 7.436 -6.097 251 HA ARG 33 HA ARG 33 -1.454 7.027 -8.931 252 1HB ARG 33 2HB ARG 33 -0.251 8.484 -6.986 253 2HB ARG 33 1HB ARG 33 0.938 7.198 -7.194 254 1HG ARG 33 2HG ARG 33 1.114 7.656 -9.565 255 2HG ARG 33 1HG ARG 33 -0.212 8.817 -9.480 256 1HD ARG 33 2HD ARG 33 1.820 10.116 -9.460 257 2HD ARG 33 1HD ARG 33 1.229 10.110 -7.785 258 HE ARG 33 HE ARG 33 2.776 8.004 -7.573 259 1HH1 ARG 33 1HH2 ARG 33 3.671 8.922 -10.475 260 2HH1 ARG 33 2HH2 ARG 33 5.229 9.568 -10.085 261 1HH2 ARG 33 1HH1 ARG 33 4.642 9.630 -6.668 262 2HH2 ARG 33 2HH1 ARG 33 5.779 9.967 -7.930 263 H VAL 34 H VAL 34 -1.073 5.120 -9.957 264 HA VAL 34 HA VAL 34 0.342 2.934 -8.457 265 HB VAL 34 HB VAL 34 -1.761 2.845 -10.650 266 1HG1 VAL 34 1HG1 VAL 34 -1.671 0.335 -9.680 267 2HG1 VAL 34 2HG1 VAL 34 0.012 0.791 -9.417 268 3HG1 VAL 34 3HG1 VAL 34 -0.677 0.854 -11.040 269 1HG2 VAL 34 1HG2 VAL 34 -3.105 3.199 -8.844 270 2HG2 VAL 34 2HG2 VAL 34 -1.829 2.798 -7.697 271 3HG2 VAL 34 3HG2 VAL 34 -2.756 1.512 -8.469 272 H THR 35 H THR 35 2.443 3.577 -9.242 273 HA THR 35 HA THR 35 2.797 3.615 -12.209 274 HB THR 35 HB THR 35 5.143 4.458 -11.218 275 HG1 THR 35 HG1 THR 35 4.944 5.284 -9.235 276 1HG2 THR 35 1HG2 THR 35 3.982 5.944 -12.594 277 2HG2 THR 35 2HG2 THR 35 3.959 6.784 -11.045 278 3HG2 THR 35 3HG2 THR 35 2.535 5.898 -11.588 279 H TYR 36 H TYR 36 4.540 2.398 -13.140 280 HA TYR 36 HA TYR 36 5.610 0.177 -11.430 281 1HB TYR 36 2HB TYR 36 5.176 -0.363 -14.321 282 2HB TYR 36 1HB TYR 36 4.849 -1.397 -12.935 283 HD1 TYR 36 HD1 TYR 36 3.566 1.633 -14.727 284 HD2 TYR 36 HD2 TYR 36 2.641 -1.682 -12.159 285 HE1 TYR 36 HE1 TYR 36 1.148 2.171 -14.905 286 HE2 TYR 36 HE2 TYR 36 0.228 -1.143 -12.337 287 HH TYR 36 HH TYR 36 -1.059 0.764 -14.649 288 H SER 37 H SER 37 7.791 0.696 -11.288 289 HA SER 37 HA SER 37 9.116 1.994 -13.618 290 1HB SER 37 2HB SER 37 10.822 1.438 -11.361 291 2HB SER 37 1HB SER 37 10.280 2.998 -11.971 292 HG SER 37 HG SER 37 9.575 1.874 -9.739 293 H SER 38 H SER 38 10.851 1.060 -14.745 294 HA SER 38 HA SER 38 11.688 -1.717 -14.019 295 1HB SER 38 2HB SER 38 9.793 -1.146 -15.934 296 2HB SER 38 1HB SER 38 11.269 -1.190 -16.892 297 HG SER 38 HG SER 38 11.537 -3.264 -16.404 298 HA PRO 39 HA PRO 39 15.509 0.364 -14.963 299 1HB PRO 39 2HB PRO 39 17.157 -1.783 -14.551 300 2HB PRO 39 1HB PRO 39 16.461 -0.823 -13.230 301 1HG PRO 39 2HG PRO 39 15.601 -3.464 -14.304 302 2HG PRO 39 1HG PRO 39 15.639 -2.883 -12.632 303 1HD PRO 39 2HD PRO 39 13.355 -3.011 -14.129 304 2HD PRO 39 1HD PRO 39 13.598 -1.850 -12.805 305 H GLU 40 H GLU 40 14.279 0.062 -17.259 306 HA GLU 40 HA GLU 40 16.297 -0.895 -19.114 307 1HB GLU 40 2HB GLU 40 14.342 -2.719 -18.092 308 2HB GLU 40 1HB GLU 40 13.997 -2.443 -19.800 309 1HG GLU 40 2HG GLU 40 16.848 -2.862 -19.036 310 2HG GLU 40 1HG GLU 40 15.786 -4.269 -18.998 311 H ASP 41 H ASP 41 12.725 -0.538 -19.007 312 HA ASP 41 HA ASP 41 12.884 1.151 -21.461 313 1HB ASP 41 2HB ASP 41 10.938 -0.676 -20.159 314 2HB ASP 41 1HB ASP 41 10.240 0.726 -20.970 315 H GLY 42 H GLY 42 12.151 1.261 -18.045 316 1HA GLY 42 2HA GLY 42 12.380 3.571 -17.054 317 2HA GLY 42 1HA GLY 42 11.328 4.118 -18.359 318 H ILE 43 H ILE 43 10.032 4.901 -16.429 319 HA ILE 43 HA ILE 43 8.385 2.687 -15.267 320 HB ILE 43 HB ILE 43 9.733 4.102 -13.726 321 1HG1 ILE 43 2HG1 ILE 43 6.721 4.467 -13.588 322 2HG1 ILE 43 1HG1 ILE 43 7.652 3.144 -12.890 323 1HG2 ILE 43 1HG2 ILE 43 9.925 6.218 -14.625 324 2HG2 ILE 43 2HG2 ILE 43 8.586 6.505 -13.517 325 3HG2 ILE 43 3HG2 ILE 43 8.269 6.229 -15.227 326 1HD1 ILE 43 1HD1 ILE 43 7.425 4.517 -11.032 327 2HD1 ILE 43 2HD1 ILE 43 7.457 5.995 -11.994 328 3HD1 ILE 43 3HD1 ILE 43 8.951 5.111 -11.687 329 H HIS 44 H HIS 44 6.068 3.190 -15.008 330 HA HIS 44 HA HIS 44 5.051 5.186 -17.003 331 1HB HIS 44 2HB HIS 44 3.805 2.506 -16.350 332 2HB HIS 44 1HB HIS 44 3.472 3.542 -17.734 333 HD1 HIS 44 HD1 HIS 44 5.931 1.037 -16.429 334 HD2 HIS 44 HD2 HIS 44 5.446 3.436 -19.803 335 HE1 HIS 44 HE1 HIS 44 7.592 0.197 -18.151 336 H GLU 45 H GLU 45 2.889 6.036 -16.448 337 HA GLU 45 HA GLU 45 2.315 5.840 -13.512 338 1HB GLU 45 2HB GLU 45 1.695 8.136 -15.384 339 2HB GLU 45 1HB GLU 45 1.728 8.162 -13.619 340 1HG GLU 45 2HG GLU 45 3.841 8.964 -13.902 341 2HG GLU 45 1HG GLU 45 4.250 7.269 -14.169 342 H LEU 46 H LEU 46 0.351 5.002 -13.004 343 HA LEU 46 HA LEU 46 -1.770 4.964 -15.127 344 1HB LEU 46 2HB LEU 46 -0.931 2.762 -14.538 345 2HB LEU 46 1HB LEU 46 -1.121 3.107 -12.821 346 HG LEU 46 HG LEU 46 -3.639 3.581 -13.578 347 1HD1 LEU 46 1HD1 LEU 46 -2.379 2.231 -15.843 348 2HD1 LEU 46 2HD1 LEU 46 -3.938 3.049 -15.750 349 3HD1 LEU 46 3HD1 LEU 46 -3.793 1.367 -15.241 350 1HD2 LEU 46 1HD2 LEU 46 -4.175 1.531 -12.597 351 2HD2 LEU 46 2HD2 LEU 46 -2.527 1.762 -12.017 352 3HD2 LEU 46 3HD2 LEU 46 -2.842 0.689 -13.381 353 H PHE 47 H PHE 47 -3.670 5.995 -14.611 354 HA PHE 47 HA PHE 47 -4.073 6.837 -11.757 355 1HB PHE 47 2HB PHE 47 -4.262 8.285 -14.386 356 2HB PHE 47 1HB PHE 47 -5.225 8.837 -13.016 357 HD1 PHE 47 HD1 PHE 47 -2.213 9.355 -14.653 358 HD2 PHE 47 HD2 PHE 47 -3.769 8.789 -10.687 359 HE1 PHE 47 HE1 PHE 47 -0.227 10.502 -13.709 360 HE2 PHE 47 HE2 PHE 47 -1.781 9.935 -9.744 361 HZ PHE 47 HZ PHE 47 -0.010 10.792 -11.255 362 HA PRO 48 HA PRO 48 -7.863 4.692 -13.212 363 1HB PRO 48 2HB PRO 48 -7.973 2.808 -11.245 364 2HB PRO 48 1HB PRO 48 -7.039 2.582 -12.737 365 1HG PRO 48 2HG PRO 48 -6.097 3.178 -10.010 366 2HG PRO 48 1HG PRO 48 -5.266 2.361 -11.335 367 1HD PRO 48 2HD PRO 48 -4.902 5.038 -10.498 368 2HD PRO 48 1HD PRO 48 -4.246 4.280 -11.963 369 H ALA 49 H ALA 49 -8.523 6.901 -12.351 370 HA ALA 49 HA ALA 49 -9.071 7.520 -9.669 371 1HB ALA 49 1HB ALA 49 -10.154 9.292 -10.643 372 2HB ALA 49 2HB ALA 49 -11.046 8.261 -11.759 373 3HB ALA 49 3HB ALA 49 -9.362 8.668 -12.088 374 HA PRO 50 HA PRO 50 -12.155 4.277 -9.065 375 1HB PRO 50 2HB PRO 50 -12.137 4.434 -6.338 376 2HB PRO 50 1HB PRO 50 -10.914 3.537 -7.262 377 1HG PRO 50 2HG PRO 50 -10.736 6.225 -6.000 378 2HG PRO 50 1HG PRO 50 -9.504 4.963 -6.151 379 1HD PRO 50 2HD PRO 50 -9.620 7.201 -7.745 380 2HD PRO 50 1HD PRO 50 -8.848 5.673 -8.221 381 H ASP 51 H ASP 51 -14.056 4.437 -7.149 382 HA ASP 51 HA ASP 51 -15.284 7.150 -7.506 383 1HB ASP 51 2HB ASP 51 -16.292 5.451 -8.946 384 2HB ASP 51 1HB ASP 51 -16.510 4.378 -7.563 385 H GLY 52 H GLY 52 -14.597 4.470 -5.360 386 1HA GLY 52 2HA GLY 52 -14.516 5.601 -2.943 387 2HA GLY 52 1HA GLY 52 -16.260 5.643 -3.203 388 H GLU 53 H GLU 53 -13.884 3.119 -4.065 389 HA GLU 53 HA GLU 53 -14.737 1.317 -1.957 390 1HB GLU 53 2HB GLU 53 -16.141 -0.116 -3.263 391 2HB GLU 53 1HB GLU 53 -16.699 1.526 -3.582 392 1HG GLU 53 2HG GLU 53 -15.345 1.591 -5.643 393 2HG GLU 53 1HG GLU 53 -14.787 -0.052 -5.327 394 H GLU 54 H GLU 54 -13.337 1.642 -5.199 395 HA GLU 54 HA GLU 54 -11.919 -0.748 -5.484 396 1HB GLU 54 2HB GLU 54 -11.645 2.080 -6.313 397 2HB GLU 54 1HB GLU 54 -10.177 1.111 -6.449 398 1HG GLU 54 2HG GLU 54 -11.852 -0.648 -7.533 399 2HG GLU 54 1HG GLU 54 -12.784 0.810 -7.881 400 H ASP 55 H ASP 55 -10.280 -1.704 -4.342 401 HA ASP 55 HA ASP 55 -8.534 0.021 -2.629 402 1HB ASP 55 2HB ASP 55 -8.765 -1.832 -0.902 403 2HB ASP 55 1HB ASP 55 -10.232 -0.896 -1.185 404 H THR 56 H THR 56 -8.639 -2.061 -5.155 405 HA THR 56 HA THR 56 -5.929 -3.191 -4.520 406 HB THR 56 HB THR 56 -6.651 -5.244 -5.643 407 HG1 THR 56 HG1 THR 56 -8.739 -5.392 -6.445 408 1HG2 THR 56 1HG2 THR 56 -9.021 -4.827 -3.945 409 2HG2 THR 56 2HG2 THR 56 -7.493 -4.394 -3.181 410 3HG2 THR 56 3HG2 THR 56 -7.733 -6.024 -3.808 411 H ALA 57 H ALA 57 -5.389 -4.296 -7.021 412 HA ALA 57 HA ALA 57 -5.937 -2.246 -9.082 413 1HB ALA 57 1HB ALA 57 -3.314 -2.145 -9.327 414 2HB ALA 57 2HB ALA 57 -3.340 -2.667 -7.642 415 3HB ALA 57 3HB ALA 57 -4.119 -1.157 -8.109 416 H GLU 58 H GLU 58 -6.072 -3.243 -11.036 417 HA GLU 58 HA GLU 58 -5.079 -6.037 -11.316 418 1HB GLU 58 2HB GLU 58 -7.153 -4.269 -12.559 419 2HB GLU 58 1HB GLU 58 -6.506 -5.592 -13.530 420 1HG GLU 58 2HG GLU 58 -8.429 -6.458 -12.381 421 2HG GLU 58 1HG GLU 58 -7.010 -7.131 -11.578 422 H LEU 59 H LEU 59 -2.810 -5.240 -11.522 423 HA LEU 59 HA LEU 59 -2.106 -3.549 -13.798 424 1HB LEU 59 2HB LEU 59 -0.372 -5.286 -12.022 425 2HB LEU 59 1HB LEU 59 0.127 -3.858 -12.931 426 HG LEU 59 HG LEU 59 -1.735 -3.966 -10.549 427 1HD1 LEU 59 1HD1 LEU 59 -0.097 -2.464 -9.552 428 2HD1 LEU 59 2HD1 LEU 59 0.804 -2.389 -11.066 429 3HD1 LEU 59 3HD1 LEU 59 0.738 -3.896 -10.155 430 1HD2 LEU 59 1HD2 LEU 59 -1.564 -2.050 -12.784 431 2HD2 LEU 59 2HD2 LEU 59 -1.434 -1.305 -11.191 432 3HD2 LEU 59 3HD2 LEU 59 -2.848 -2.279 -11.597 433 H GLN 60 H GLN 60 -3.160 -4.932 -15.433 434 HA GLN 60 HA GLN 60 -1.701 -7.465 -16.015 435 1HB GLN 60 2HB GLN 60 -4.259 -6.423 -17.228 436 2HB GLN 60 1HB GLN 60 -3.698 -8.092 -17.159 437 1HG GLN 60 2HG GLN 60 -3.986 -8.144 -14.742 438 2HG GLN 60 1HG GLN 60 -4.399 -6.429 -14.723 439 1HE2 GLN 60 1HE2 GLN 60 -6.331 -5.941 -16.402 440 2HE2 GLN 60 2HE2 GLN 60 -7.634 -7.022 -16.306 441 H GLY 61 H GLY 61 -0.083 -7.220 -17.492 442 1HA GLY 61 2HA GLY 61 0.175 -6.798 -20.002 443 2HA GLY 61 1HA GLY 61 -0.443 -5.183 -19.649 444 H LEU 62 H LEU 62 1.939 -7.208 -17.917 445 HA LEU 62 HA LEU 62 3.803 -4.871 -17.963 446 1HB LEU 62 2HB LEU 62 3.918 -7.407 -16.303 447 2HB LEU 62 1HB LEU 62 4.732 -5.876 -15.980 448 HG LEU 62 HG LEU 62 1.743 -6.380 -15.921 449 1HD1 LEU 62 1HD1 LEU 62 3.794 -5.696 -13.797 450 2HD1 LEU 62 2HD1 LEU 62 2.841 -7.176 -13.916 451 3HD1 LEU 62 3HD1 LEU 62 2.051 -5.647 -13.531 452 1HD2 LEU 62 1HD2 LEU 62 1.780 -3.947 -15.052 453 2HD2 LEU 62 2HD2 LEU 62 1.990 -4.183 -16.787 454 3HD2 LEU 62 3HD2 LEU 62 3.390 -3.850 -15.767 455 H ARG 63 H ARG 63 6.239 -5.800 -17.858 456 HA ARG 63 HA ARG 63 6.661 -7.183 -20.405 457 1HB ARG 63 2HB ARG 63 8.135 -5.605 -18.439 458 2HB ARG 63 1HB ARG 63 9.090 -6.940 -19.075 459 1HG ARG 63 2HG ARG 63 9.466 -5.108 -20.556 460 2HG ARG 63 1HG ARG 63 8.351 -6.188 -21.395 461 1HD ARG 63 2HD ARG 63 6.506 -4.695 -20.202 462 2HD ARG 63 1HD ARG 63 7.820 -3.501 -20.181 463 HE ARG 63 HE ARG 63 7.891 -4.570 -22.752 464 1HH1 ARG 63 1HH1 ARG 63 6.707 -1.892 -21.314 465 2HH1 ARG 63 2HH1 ARG 63 5.349 -1.657 -22.362 466 1HH2 ARG 63 1HH2 ARG 63 5.642 -4.764 -23.875 467 2HH2 ARG 63 2HH2 ARG 63 4.746 -3.282 -23.813 468 HA PRO 64 HA PRO 64 7.113 -11.186 -18.694 469 1HB PRO 64 2HB PRO 64 8.474 -12.363 -20.743 470 2HB PRO 64 1HB PRO 64 6.755 -11.941 -20.836 471 1HG PRO 64 2HG PRO 64 9.084 -10.641 -22.087 472 2HG PRO 64 1HG PRO 64 7.390 -10.657 -22.593 473 1HD PRO 64 2HD PRO 64 8.746 -8.557 -21.274 474 2HD PRO 64 1HD PRO 64 7.002 -8.673 -21.585 475 H GLY 65 H GLY 65 8.527 -11.419 -16.967 476 1HA GLY 65 2HA GLY 65 10.554 -12.133 -15.970 477 2HA GLY 65 1HA GLY 65 11.330 -12.030 -17.550 478 H SER 66 H SER 66 10.099 -9.997 -14.890 479 HA SER 66 HA SER 66 12.470 -8.310 -14.999 480 1HB SER 66 2HB SER 66 10.860 -6.299 -15.634 481 2HB SER 66 1HB SER 66 11.608 -7.286 -16.886 482 HG SER 66 HG SER 66 9.422 -7.189 -17.293 483 H GLU 67 H GLU 67 12.712 -7.819 -12.849 484 HA GLU 67 HA GLU 67 10.588 -7.958 -10.911 485 1HB GLU 67 2HB GLU 67 13.099 -8.209 -10.590 486 2HB GLU 67 1HB GLU 67 13.214 -6.454 -10.743 487 1HG GLU 67 2HG GLU 67 12.336 -6.088 -8.676 488 2HG GLU 67 1HG GLU 67 11.160 -7.390 -8.841 489 H TYR 68 H TYR 68 8.894 -6.558 -11.700 490 HA TYR 68 HA TYR 68 9.419 -3.771 -12.338 491 1HB TYR 68 2HB TYR 68 7.201 -5.688 -12.273 492 2HB TYR 68 1HB TYR 68 6.720 -4.031 -11.901 493 HD1 TYR 68 HD1 TYR 68 6.591 -2.388 -13.595 494 HD2 TYR 68 HD2 TYR 68 8.585 -6.112 -14.356 495 HE1 TYR 68 HE1 TYR 68 6.784 -1.794 -15.995 496 HE2 TYR 68 HE2 TYR 68 8.781 -5.521 -16.745 497 HH TYR 68 HH TYR 68 7.047 -3.441 -18.275 498 H THR 69 H THR 69 9.947 -2.342 -10.768 499 HA THR 69 HA THR 69 9.113 -2.708 -7.984 500 HB THR 69 HB THR 69 10.514 -0.473 -9.491 501 HG1 THR 69 HG1 THR 69 12.353 -1.421 -8.491 502 1HG2 THR 69 1HG2 THR 69 9.856 -0.897 -6.596 503 2HG2 THR 69 2HG2 THR 69 9.778 0.583 -7.551 504 3HG2 THR 69 3HG2 THR 69 11.340 -0.052 -7.036 505 H VAL 70 H VAL 70 6.738 -2.696 -8.603 506 HA VAL 70 HA VAL 70 5.510 -0.300 -9.652 507 HB VAL 70 HB VAL 70 4.391 -2.598 -8.024 508 1HG1 VAL 70 1HG1 VAL 70 2.549 -1.264 -8.099 509 2HG1 VAL 70 2HG1 VAL 70 2.452 -1.785 -9.782 510 3HG1 VAL 70 3HG1 VAL 70 3.221 -0.250 -9.377 511 1HG2 VAL 70 1HG2 VAL 70 3.772 -3.423 -10.367 512 2HG2 VAL 70 2HG2 VAL 70 5.484 -3.512 -9.953 513 3HG2 VAL 70 3HG2 VAL 70 4.893 -2.211 -10.987 514 H SER 71 H SER 71 4.367 1.316 -8.504 515 HA SER 71 HA SER 71 4.904 1.402 -5.549 516 1HB SER 71 2HB SER 71 6.241 2.891 -7.187 517 2HB SER 71 1HB SER 71 4.739 3.789 -7.388 518 HG SER 71 HG SER 71 6.044 3.238 -4.921 519 H VAL 72 H VAL 72 3.094 1.723 -4.314 520 HA VAL 72 HA VAL 72 0.575 2.598 -5.698 521 HB VAL 72 HB VAL 72 1.175 0.742 -3.382 522 1HG1 VAL 72 1HG1 VAL 72 -1.065 2.459 -3.603 523 2HG1 VAL 72 2HG1 VAL 72 -0.868 1.097 -2.500 524 3HG1 VAL 72 3HG1 VAL 72 -1.627 0.855 -4.074 525 1HG2 VAL 72 1HG2 VAL 72 -0.649 -0.372 -5.206 526 2HG2 VAL 72 2HG2 VAL 72 1.062 -0.772 -5.052 527 3HG2 VAL 72 3HG2 VAL 72 0.544 0.461 -6.204 528 H VAL 73 H VAL 73 -0.077 4.631 -5.078 529 HA VAL 73 HA VAL 73 0.469 5.499 -2.265 530 HB VAL 73 HB VAL 73 0.811 7.300 -4.661 531 1HG1 VAL 73 1HG1 VAL 73 0.623 8.017 -2.133 532 2HG1 VAL 73 2HG1 VAL 73 1.849 8.755 -3.165 533 3HG1 VAL 73 3HG1 VAL 73 2.295 7.459 -2.056 534 1HG2 VAL 73 1HG2 VAL 73 2.834 5.447 -3.381 535 2HG2 VAL 73 2HG2 VAL 73 3.283 6.826 -4.383 536 3HG2 VAL 73 3HG2 VAL 73 2.352 5.501 -5.075 537 H ALA 74 H ALA 74 -1.256 6.544 -1.354 538 HA ALA 74 HA ALA 74 -3.708 6.893 -2.970 539 1HB ALA 74 1HB ALA 74 -3.002 7.130 -0.031 540 2HB ALA 74 2HB ALA 74 -3.877 5.815 -0.813 541 3HB ALA 74 3HB ALA 74 -4.627 7.403 -0.661 542 H LEU 75 H LEU 75 -4.779 8.989 -3.120 543 HA LEU 75 HA LEU 75 -2.999 11.318 -2.465 544 1HB LEU 75 2HB LEU 75 -4.770 10.965 -4.897 545 2HB LEU 75 1HB LEU 75 -3.599 12.252 -4.618 546 HG LEU 75 HG LEU 75 -2.599 9.446 -4.489 547 1HD1 LEU 75 1HD1 LEU 75 -3.897 10.648 -6.834 548 2HD1 LEU 75 2HD1 LEU 75 -3.445 8.970 -6.537 549 3HD1 LEU 75 3HD1 LEU 75 -2.246 10.112 -7.142 550 1HD2 LEU 75 1HD2 LEU 75 -0.866 10.922 -4.157 551 2HD2 LEU 75 2HD2 LEU 75 -1.634 12.197 -5.103 552 3HD2 LEU 75 3HD2 LEU 75 -0.824 10.860 -5.919 553 H HIS 76 H HIS 76 -4.635 13.337 -3.239 554 HA HIS 76 HA HIS 76 -7.376 13.128 -2.408 555 1HB HIS 76 2HB HIS 76 -6.123 12.668 -0.269 556 2HB HIS 76 1HB HIS 76 -5.446 14.294 -0.383 557 HD1 HIS 76 HD1 HIS 76 -8.528 12.448 0.541 558 HD2 HIS 76 HD2 HIS 76 -7.417 16.409 -0.135 559 HE1 HIS 76 HE1 HIS 76 -10.410 13.886 1.443 560 H ASP 77 H ASP 77 -6.788 14.392 -4.567 561 HA ASP 77 HA ASP 77 -6.984 16.489 -5.650 562 1HB ASP 77 2HB ASP 77 -7.996 16.775 -2.978 563 2HB ASP 77 1HB ASP 77 -7.107 18.240 -3.399 564 H ASP 78 H ASP 78 -5.174 17.009 -2.589 565 HA ASP 78 HA ASP 78 -2.752 17.683 -4.173 566 1HB ASP 78 2HB ASP 78 -4.020 19.768 -3.950 567 2HB ASP 78 1HB ASP 78 -4.148 19.524 -2.208 568 H MET 79 H MET 79 -2.587 15.445 -2.859 569 HA MET 79 HA MET 79 -1.130 16.084 -0.331 570 1HB MET 79 2HB MET 79 -3.640 14.683 -0.687 571 2HB MET 79 1HB MET 79 -2.434 13.615 0.034 572 1HG MET 79 2HG MET 79 -2.154 14.970 1.907 573 2HG MET 79 1HG MET 79 -2.729 16.413 1.075 574 1HE MET 79 1HE MET 79 -4.362 17.096 3.080 575 2HE MET 79 2HE MET 79 -5.998 16.851 2.471 576 3HE MET 79 3HE MET 79 -4.731 17.396 1.374 577 H GLU 80 H GLU 80 0.521 14.519 0.182 578 HA GLU 80 HA GLU 80 1.090 12.479 -1.937 579 1HB GLU 80 2HB GLU 80 2.552 14.894 -1.164 580 2HB GLU 80 1HB GLU 80 3.557 13.444 -1.080 581 1HG GLU 80 2HG GLU 80 2.921 12.854 -3.385 582 2HG GLU 80 1HG GLU 80 1.902 14.291 -3.476 583 H SER 81 H SER 81 0.134 11.070 -0.187 584 HA SER 81 HA SER 81 1.465 10.815 2.379 585 1HB SER 81 2HB SER 81 -0.118 8.627 1.090 586 2HB SER 81 1HB SER 81 -0.179 9.213 2.750 587 HG SER 81 HG SER 81 -1.746 9.875 0.741 588 H GLN 82 H GLN 82 2.896 9.130 3.046 589 HA GLN 82 HA GLN 82 5.054 8.394 1.515 590 1HB GLN 82 2HB GLN 82 5.015 6.285 3.064 591 2HB GLN 82 1HB GLN 82 5.126 7.878 3.807 592 1HG GLN 82 2HG GLN 82 2.354 7.164 3.346 593 2HG GLN 82 1HG GLN 82 3.166 5.923 4.297 594 1HE2 GLN 82 1HE2 GLN 82 4.162 9.339 4.393 595 2HE2 GLN 82 2HE2 GLN 82 3.659 9.616 5.989 596 HA PRO 83 HA PRO 83 3.144 5.820 -1.576 597 1HB PRO 83 2HB PRO 83 5.438 5.287 -2.963 598 2HB PRO 83 1HB PRO 83 4.568 6.825 -3.089 599 1HG PRO 83 2HG PRO 83 7.011 6.165 -1.526 600 2HG PRO 83 1HG PRO 83 6.610 7.635 -2.429 601 1HD PRO 83 2HD PRO 83 6.405 7.433 0.289 602 2HD PRO 83 1HD PRO 83 5.413 8.534 -0.694 603 H LEU 84 H LEU 84 2.821 3.602 -1.611 604 HA LEU 84 HA LEU 84 4.575 1.923 0.118 605 1HB LEU 84 2HB LEU 84 2.230 1.852 0.624 606 2HB LEU 84 1HB LEU 84 1.808 1.656 -1.077 607 HG LEU 84 HG LEU 84 3.076 -0.531 -1.043 608 1HD1 LEU 84 1HD1 LEU 84 4.467 -0.667 0.766 609 2HD1 LEU 84 2HD1 LEU 84 3.033 -1.320 1.557 610 3HD1 LEU 84 3HD1 LEU 84 3.450 0.382 1.754 611 1HD2 LEU 84 1HD2 LEU 84 0.518 0.131 0.224 612 2HD2 LEU 84 2HD2 LEU 84 1.196 -1.387 0.812 613 3HD2 LEU 84 3HD2 LEU 84 0.904 -1.159 -0.913 614 H ILE 85 H ILE 85 6.322 1.380 -1.246 615 HA ILE 85 HA ILE 85 6.281 0.868 -3.998 616 HB ILE 85 HB ILE 85 8.068 0.747 -1.839 617 1HG1 ILE 85 2HG1 ILE 85 8.302 0.361 -4.824 618 2HG1 ILE 85 1HG1 ILE 85 8.699 1.786 -3.866 619 1HG2 ILE 85 1HG2 ILE 85 9.297 -1.362 -2.157 620 2HG2 ILE 85 2HG2 ILE 85 8.111 -1.895 -3.349 621 3HG2 ILE 85 3HG2 ILE 85 7.640 -1.704 -1.659 622 1HD1 ILE 85 1HD1 ILE 85 10.772 0.723 -4.498 623 2HD1 ILE 85 2HD1 ILE 85 10.197 -0.844 -3.929 624 3HD1 ILE 85 3HD1 ILE 85 10.529 0.445 -2.773 625 H GLY 86 H GLY 86 6.690 -1.346 -5.009 626 1HA GLY 86 2HA GLY 86 5.459 -3.680 -3.767 627 2HA GLY 86 1HA GLY 86 4.465 -2.979 -5.047 628 H THR 87 H THR 87 7.836 -3.988 -4.444 629 HA THR 87 HA THR 87 8.335 -4.355 -7.318 630 HB THR 87 HB THR 87 10.100 -5.269 -5.060 631 HG1 THR 87 HG1 THR 87 9.581 -2.610 -5.890 632 1HG2 THR 87 1HG2 THR 87 10.878 -3.683 -7.492 633 2HG2 THR 87 2HG2 THR 87 10.591 -5.418 -7.620 634 3HG2 THR 87 3HG2 THR 87 11.851 -4.811 -6.547 635 H GLN 88 H GLN 88 9.033 -6.438 -8.208 636 HA GLN 88 HA GLN 88 8.896 -8.950 -6.895 637 1HB GLN 88 2HB GLN 88 6.416 -7.692 -7.061 638 2HB GLN 88 1HB GLN 88 6.391 -8.832 -8.404 639 1HG GLN 88 2HG GLN 88 7.116 -9.547 -5.548 640 2HG GLN 88 1HG GLN 88 5.544 -9.842 -6.291 641 1HE2 GLN 88 1HE2 GLN 88 5.545 -11.320 -8.245 642 2HE2 GLN 88 2HE2 GLN 88 6.738 -12.524 -8.355 643 H SER 89 H SER 89 9.327 -10.650 -8.398 644 HA SER 89 HA SER 89 10.194 -9.768 -11.063 645 1HB SER 89 2HB SER 89 10.164 -12.471 -9.702 646 2HB SER 89 1HB SER 89 11.065 -12.073 -11.162 647 HG SER 89 HG SER 89 12.474 -11.795 -9.504 648 H THR 90 H THR 90 8.720 -9.662 -12.703 649 HA THR 90 HA THR 90 6.135 -10.913 -12.670 650 HB THR 90 HB THR 90 7.278 -10.277 -15.297 651 HG1 THR 90 HG1 THR 90 7.246 -8.229 -13.350 652 1HG2 THR 90 1HG2 THR 90 5.119 -8.956 -13.635 653 2HG2 THR 90 2HG2 THR 90 4.863 -10.316 -14.725 654 3HG2 THR 90 3HG2 THR 90 5.373 -8.759 -15.369 655 H ALA 91 H ALA 91 5.487 -12.919 -13.464 656 HA ALA 91 HA ALA 91 7.271 -15.080 -13.781 657 1HB ALA 91 1HB ALA 91 5.264 -16.111 -13.829 658 2HB ALA 91 2HB ALA 91 4.903 -15.394 -15.399 659 3HB ALA 91 3HB ALA 91 4.499 -14.524 -13.918 660 H ILE 92 H ILE 92 6.826 -16.363 -16.161 661 HA ILE 92 HA ILE 92 7.864 -14.455 -18.229 662 HB ILE 92 HB ILE 92 9.594 -15.943 -18.761 663 1HG1 ILE 92 2HG1 ILE 92 8.135 -17.924 -19.095 664 2HG1 ILE 92 1HG1 ILE 92 9.588 -18.341 -18.185 665 1HG2 ILE 92 1HG2 ILE 92 9.967 -15.063 -16.516 666 2HG2 ILE 92 2HG2 ILE 92 10.588 -16.709 -16.619 667 3HG2 ILE 92 3HG2 ILE 92 9.050 -16.396 -15.815 668 1HD1 ILE 92 1HD1 ILE 92 8.135 -17.863 -16.085 669 2HD1 ILE 92 2HD1 ILE 92 7.877 -19.375 -16.955 670 3HD1 ILE 92 3HD1 ILE 92 6.768 -18.024 -17.187 671 HA PRO 93 HA PRO 93 4.883 -16.192 -20.907 672 1HB PRO 93 2HB PRO 93 6.094 -15.828 -23.323 673 2HB PRO 93 1HB PRO 93 5.452 -14.486 -22.356 674 1HG PRO 93 2HG PRO 93 8.251 -15.331 -22.779 675 2HG PRO 93 1HG PRO 93 7.593 -13.727 -22.425 676 1HD PRO 93 2HD PRO 93 8.843 -15.463 -20.593 677 2HD PRO 93 1HD PRO 93 7.919 -14.004 -20.198 678 H ALA 94 H ALA 94 4.510 -18.375 -21.024 679 HA ALA 94 HA ALA 94 6.736 -20.202 -21.762 680 1HB ALA 94 1HB ALA 94 5.445 -21.836 -20.651 681 2HB ALA 94 2HB ALA 94 3.943 -20.953 -20.915 682 3HB ALA 94 3HB ALA 94 5.115 -20.367 -19.734 Start of MODEL 8 1 1H ASN 1 1H ASN 1 -6.536 14.616 7.315 2 2H ASN 1 2H ASN 1 -5.088 14.889 6.471 3 3H ASN 1 3H ASN 1 -5.199 15.277 8.122 4 HA ASN 1 HA ASN 1 -3.959 13.180 7.700 5 1HB ASN 1 2HB ASN 1 -5.109 12.081 9.547 6 2HB ASN 1 1HB ASN 1 -5.189 13.826 9.794 7 1HD2 ASN 1 1HD2 ASN 1 -7.108 11.010 8.726 8 2HD2 ASN 1 2HD2 ASN 1 -8.618 11.752 8.938 9 H ILE 2 H ILE 2 -4.087 10.997 6.946 10 HA ILE 2 HA ILE 2 -6.578 10.237 5.472 11 HB ILE 2 HB ILE 2 -4.953 11.269 3.932 12 1HG1 ILE 2 2HG1 ILE 2 -4.879 8.271 3.525 13 2HG1 ILE 2 1HG1 ILE 2 -6.348 9.219 3.291 14 1HG2 ILE 2 1HG2 ILE 2 -2.929 9.231 3.957 15 2HG2 ILE 2 2HG2 ILE 2 -3.089 9.905 5.579 16 3HG2 ILE 2 3HG2 ILE 2 -2.747 10.965 4.213 17 1HD1 ILE 2 1HD1 ILE 2 -4.583 10.713 1.864 18 2HD1 ILE 2 2HD1 ILE 2 -5.562 9.427 1.158 19 3HD1 ILE 2 3HD1 ILE 2 -3.895 9.105 1.635 20 H ASP 3 H ASP 3 -6.327 7.802 4.764 21 HA ASP 3 HA ASP 3 -5.999 6.177 7.089 22 1HB ASP 3 2HB ASP 3 -7.362 5.861 4.926 23 2HB ASP 3 1HB ASP 3 -5.867 5.235 4.228 24 H ARG 4 H ARG 4 -3.781 6.854 4.402 25 HA ARG 4 HA ARG 4 -1.480 6.398 4.172 26 1HB ARG 4 2HB ARG 4 -1.660 5.776 7.120 27 2HB ARG 4 1HB ARG 4 -0.280 6.417 6.235 28 1HG ARG 4 2HG ARG 4 -2.163 8.289 5.650 29 2HG ARG 4 1HG ARG 4 -2.661 7.812 7.271 30 1HD ARG 4 2HD ARG 4 -0.161 8.088 7.912 31 2HD ARG 4 1HD ARG 4 -0.035 9.009 6.398 32 HE ARG 4 HE ARG 4 -2.307 9.752 8.109 33 1HH1 ARG 4 1HH2 ARG 4 0.584 10.162 9.281 34 2HH1 ARG 4 2HH2 ARG 4 0.796 11.845 8.925 35 1HH2 ARG 4 1HH1 ARG 4 -1.888 11.984 6.731 36 2HH2 ARG 4 2HH1 ARG 4 -0.607 12.876 7.481 37 HA PRO 5 HA PRO 5 -1.862 1.962 3.767 38 1HB PRO 5 2HB PRO 5 0.257 1.646 2.071 39 2HB PRO 5 1HB PRO 5 -1.332 2.230 1.536 40 1HG PRO 5 2HG PRO 5 1.160 3.756 2.074 41 2HG PRO 5 1HG PRO 5 -0.083 4.019 0.844 42 1HD PRO 5 2HD PRO 5 0.130 5.476 3.169 43 2HD PRO 5 1HD PRO 5 -1.372 5.282 2.239 44 H LYS 6 H LYS 6 0.032 0.149 3.803 45 HA LYS 6 HA LYS 6 2.251 0.901 5.620 46 1HB LYS 6 2HB LYS 6 -0.256 -0.472 6.369 47 2HB LYS 6 1HB LYS 6 1.215 -1.259 6.946 48 1HG LYS 6 2HG LYS 6 0.755 1.707 7.284 49 2HG LYS 6 1HG LYS 6 0.202 0.532 8.478 50 1HD LYS 6 2HD LYS 6 2.636 -0.373 8.398 51 2HD LYS 6 1HD LYS 6 3.024 1.175 7.645 52 1HE LYS 6 2HE LYS 6 1.995 2.356 9.592 53 2HE LYS 6 1HE LYS 6 1.727 0.779 10.365 54 1HZ LYS 6 1HZ LYS 6 3.884 1.901 10.947 55 2HZ LYS 6 2HZ LYS 6 4.374 1.640 9.341 56 3HZ LYS 6 3HZ LYS 6 4.028 0.320 10.353 57 H GLY 7 H GLY 7 0.587 -2.153 4.753 58 1HA GLY 7 2HA GLY 7 3.025 -2.974 3.251 59 2HA GLY 7 1HA GLY 7 2.441 -4.017 4.549 60 H LEU 8 H LEU 8 1.870 -2.927 1.294 61 HA LEU 8 HA LEU 8 -0.749 -3.928 0.842 62 1HB LEU 8 2HB LEU 8 -0.226 -3.481 -1.388 63 2HB LEU 8 1HB LEU 8 1.014 -2.529 -0.577 64 HG LEU 8 HG LEU 8 2.232 -4.988 -0.743 65 1HD1 LEU 8 1HD1 LEU 8 0.411 -5.901 -2.103 66 2HD1 LEU 8 2HD1 LEU 8 1.863 -5.743 -3.082 67 3HD1 LEU 8 3HD1 LEU 8 0.563 -4.565 -3.239 68 1HD2 LEU 8 1HD2 LEU 8 2.269 -2.771 -2.824 69 2HD2 LEU 8 2HD2 LEU 8 3.531 -3.980 -2.587 70 3HD2 LEU 8 3HD2 LEU 8 3.210 -2.785 -1.331 71 H ALA 9 H ALA 9 -1.127 -5.941 -0.643 72 HA ALA 9 HA ALA 9 0.607 -8.208 0.280 73 1HB ALA 9 1HB ALA 9 -1.395 -8.280 1.567 74 2HB ALA 9 2HB ALA 9 -1.639 -9.466 0.284 75 3HB ALA 9 3HB ALA 9 -2.393 -7.876 0.170 76 H PHE 10 H PHE 10 0.732 -9.993 -1.218 77 HA PHE 10 HA PHE 10 0.105 -9.224 -4.040 78 1HB PHE 10 2HB PHE 10 2.162 -10.921 -2.641 79 2HB PHE 10 1HB PHE 10 1.831 -11.182 -4.354 80 HD1 PHE 10 HD1 PHE 10 3.515 -9.113 -1.926 81 HD2 PHE 10 HD2 PHE 10 1.995 -9.184 -5.944 82 HE1 PHE 10 HE1 PHE 10 4.940 -7.165 -2.500 83 HE2 PHE 10 HE2 PHE 10 3.420 -7.236 -6.517 84 HZ PHE 10 HZ PHE 10 4.892 -6.227 -4.794 85 H THR 11 H THR 11 -1.415 -10.437 -5.134 86 HA THR 11 HA THR 11 -2.567 -12.802 -3.740 87 HB THR 11 HB THR 11 -3.449 -10.790 -5.792 88 HG1 THR 11 HG1 THR 11 -4.447 -11.854 -3.368 89 1HG2 THR 11 1HG2 THR 11 -4.194 -12.702 -6.930 90 2HG2 THR 11 2HG2 THR 11 -5.580 -12.274 -5.927 91 3HG2 THR 11 3HG2 THR 11 -4.507 -13.583 -5.434 92 H ASP 12 H ASP 12 -2.207 -12.014 -7.213 93 HA ASP 12 HA ASP 12 -0.856 -14.645 -7.599 94 1HB ASP 12 2HB ASP 12 -3.393 -14.568 -8.024 95 2HB ASP 12 1HB ASP 12 -3.008 -13.548 -9.411 96 H VAL 13 H VAL 13 1.049 -14.293 -8.651 97 HA VAL 13 HA VAL 13 1.434 -11.779 -10.186 98 HB VAL 13 HB VAL 13 3.051 -12.509 -8.463 99 1HG1 VAL 13 1HG1 VAL 13 4.486 -14.559 -9.225 100 2HG1 VAL 13 2HG1 VAL 13 3.065 -14.979 -10.182 101 3HG1 VAL 13 3HG1 VAL 13 2.941 -14.850 -8.427 102 1HG2 VAL 13 1HG2 VAL 13 4.175 -11.227 -10.047 103 2HG2 VAL 13 2HG2 VAL 13 3.838 -12.361 -11.355 104 3HG2 VAL 13 3HG2 VAL 13 5.077 -12.738 -10.160 105 H ASP 14 H ASP 14 2.058 -11.799 -12.402 106 HA ASP 14 HA ASP 14 2.276 -14.366 -13.843 107 1HB ASP 14 2HB ASP 14 -0.201 -13.612 -13.411 108 2HB ASP 14 1HB ASP 14 0.123 -12.440 -14.688 109 H VAL 15 H VAL 15 3.368 -14.077 -15.836 110 HA VAL 15 HA VAL 15 5.045 -11.880 -16.257 111 HB VAL 15 HB VAL 15 5.444 -13.914 -17.411 112 1HG1 VAL 15 1HG1 VAL 15 2.571 -13.889 -17.677 113 2HG1 VAL 15 2HG1 VAL 15 3.686 -15.240 -17.883 114 3HG1 VAL 15 3HG1 VAL 15 3.309 -14.189 -19.250 115 1HG2 VAL 15 1HG2 VAL 15 6.013 -12.027 -18.814 116 2HG2 VAL 15 2HG2 VAL 15 4.346 -11.879 -19.367 117 3HG2 VAL 15 3HG2 VAL 15 5.310 -13.277 -19.835 118 H ASP 16 H ASP 16 1.676 -12.297 -17.207 119 HA ASP 16 HA ASP 16 1.725 -9.512 -18.311 120 1HB ASP 16 2HB ASP 16 0.043 -10.328 -19.940 121 2HB ASP 16 1HB ASP 16 1.537 -11.260 -20.051 122 H SER 17 H SER 17 1.141 -10.135 -15.566 123 HA SER 17 HA SER 17 -1.327 -8.775 -15.173 124 1HB SER 17 2HB SER 17 -2.604 -10.522 -15.966 125 2HB SER 17 1HB SER 17 -1.395 -11.731 -15.543 126 HG SER 17 HG SER 17 -3.554 -11.164 -14.216 127 H ILE 18 H ILE 18 -0.924 -7.886 -13.195 128 HA ILE 18 HA ILE 18 0.317 -9.625 -11.084 129 HB ILE 18 HB ILE 18 0.617 -6.660 -11.652 130 1HG1 ILE 18 2HG1 ILE 18 1.858 -8.248 -13.156 131 2HG1 ILE 18 1HG1 ILE 18 2.916 -7.215 -12.197 132 1HG2 ILE 18 1HG2 ILE 18 0.793 -7.978 -9.192 133 2HG2 ILE 18 2HG2 ILE 18 1.454 -6.389 -9.577 134 3HG2 ILE 18 3HG2 ILE 18 2.465 -7.826 -9.734 135 1HD1 ILE 18 1HD1 ILE 18 3.292 -9.000 -10.590 136 2HD1 ILE 18 2HD1 ILE 18 3.636 -9.614 -12.206 137 3HD1 ILE 18 3HD1 ILE 18 2.119 -10.031 -11.409 138 H LYS 19 H LYS 19 -1.240 -10.062 -9.580 139 HA LYS 19 HA LYS 19 -3.464 -8.140 -9.145 140 1HB LYS 19 2HB LYS 19 -2.947 -11.019 -8.928 141 2HB LYS 19 1HB LYS 19 -3.842 -10.376 -7.555 142 1HG LYS 19 2HG LYS 19 -5.620 -9.639 -8.889 143 2HG LYS 19 1HG LYS 19 -4.644 -9.648 -10.358 144 1HD LYS 19 2HD LYS 19 -4.459 -12.254 -9.736 145 2HD LYS 19 1HD LYS 19 -6.015 -11.908 -8.981 146 1HE LYS 19 2HE LYS 19 -6.136 -10.619 -11.478 147 2HE LYS 19 1HE LYS 19 -5.401 -12.203 -11.800 148 1HZ LYS 19 1HZ LYS 19 -7.143 -13.229 -10.454 149 2HZ LYS 19 2HZ LYS 19 -7.805 -12.392 -11.776 150 3HZ LYS 19 3HZ LYS 19 -7.870 -11.716 -10.218 151 H ILE 20 H ILE 20 -2.366 -6.518 -7.864 152 HA ILE 20 HA ILE 20 -1.267 -7.490 -5.246 153 HB ILE 20 HB ILE 20 0.072 -5.517 -5.276 154 1HG1 ILE 20 2HG1 ILE 20 -0.588 -4.058 -7.553 155 2HG1 ILE 20 1HG1 ILE 20 -2.156 -4.504 -6.880 156 1HG2 ILE 20 1HG2 ILE 20 1.403 -6.229 -6.952 157 2HG2 ILE 20 2HG2 ILE 20 0.223 -5.754 -8.176 158 3HG2 ILE 20 3HG2 ILE 20 0.103 -7.335 -7.400 159 1HD1 ILE 20 1HD1 ILE 20 0.099 -3.176 -5.343 160 2HD1 ILE 20 2HD1 ILE 20 -1.479 -3.612 -4.682 161 3HD1 ILE 20 3HD1 ILE 20 -1.355 -2.366 -5.925 162 H ALA 21 H ALA 21 -1.916 -6.329 -3.313 163 HA ALA 21 HA ALA 21 -4.411 -4.693 -3.602 164 1HB ALA 21 1HB ALA 21 -4.961 -7.004 -3.017 165 2HB ALA 21 2HB ALA 21 -5.254 -5.965 -1.624 166 3HB ALA 21 3HB ALA 21 -3.803 -6.964 -1.688 167 H TRP 22 H TRP 22 -4.329 -2.815 -2.408 168 HA TRP 22 HA TRP 22 -2.110 -2.551 -0.402 169 1HB TRP 22 2HB TRP 22 -2.378 -0.102 -0.941 170 2HB TRP 22 1HB TRP 22 -1.912 -1.086 -2.330 171 HD1 TRP 22 HD1 TRP 22 -5.120 0.334 -0.711 172 HE1 TRP 22 HE1 TRP 22 -6.817 0.819 -2.592 173 HE3 TRP 22 HE3 TRP 22 -2.499 -1.399 -4.726 174 HZ2 TRP 22 HZ2 TRP 22 -7.027 0.511 -5.426 175 HZ3 TRP 22 HZ3 TRP 22 -3.468 -1.284 -7.002 176 HH2 TRP 22 HH2 TRP 22 -5.727 -0.332 -7.358 177 H GLU 23 H GLU 23 -2.611 -1.387 1.577 178 HA GLU 23 HA GLU 23 -4.893 -2.077 2.989 179 1HB GLU 23 2HB GLU 23 -2.952 -1.054 4.008 180 2HB GLU 23 1HB GLU 23 -3.196 0.431 3.087 181 1HG GLU 23 2HG GLU 23 -5.050 1.076 4.355 182 2HG GLU 23 1HG GLU 23 -5.390 -0.576 4.877 183 H SER 24 H SER 24 -7.030 -1.482 2.904 184 HA SER 24 HA SER 24 -7.978 0.334 0.843 185 1HB SER 24 2HB SER 24 -10.147 -0.353 1.688 186 2HB SER 24 1HB SER 24 -9.089 -1.761 1.691 187 HG SER 24 HG SER 24 -9.483 -1.863 3.746 188 HA PRO 25 HA PRO 25 -7.882 4.001 3.281 189 1HB PRO 25 2HB PRO 25 -9.564 5.535 1.769 190 2HB PRO 25 1HB PRO 25 -7.900 5.158 1.282 191 1HG PRO 25 2HG PRO 25 -10.457 3.968 0.346 192 2HG PRO 25 1HG PRO 25 -8.967 4.298 -0.552 193 1HD PRO 25 2HD PRO 25 -9.712 1.807 0.365 194 2HD PRO 25 1HD PRO 25 -8.039 2.290 0.008 195 H GLN 26 H GLN 26 -9.699 5.652 4.126 196 HA GLN 26 HA GLN 26 -12.217 4.187 4.770 197 1HB GLN 26 2HB GLN 26 -10.120 5.284 6.642 198 2HB GLN 26 1HB GLN 26 -11.777 5.021 7.177 199 1HG GLN 26 2HG GLN 26 -10.308 2.814 5.763 200 2HG GLN 26 1HG GLN 26 -10.018 3.099 7.479 201 1HE2 GLN 26 1HE2 GLN 26 -12.597 3.835 8.355 202 2HE2 GLN 26 2HE2 GLN 26 -13.658 2.529 8.136 203 H GLY 27 H GLY 27 -10.454 7.244 5.336 204 1HA GLY 27 2HA GLY 27 -12.761 8.862 5.758 205 2HA GLY 27 1HA GLY 27 -11.190 9.470 5.233 206 H GLN 28 H GLN 28 -10.763 9.609 2.950 207 HA GLN 28 HA GLN 28 -12.670 8.809 0.934 208 1HB GLN 28 2HB GLN 28 -13.325 11.064 2.508 209 2HB GLN 28 1HB GLN 28 -12.821 11.696 0.941 210 1HG GLN 28 2HG GLN 28 -14.354 9.814 -0.032 211 2HG GLN 28 1HG GLN 28 -15.080 9.815 1.576 212 1HE2 GLN 28 1HE2 GLN 28 -14.740 12.675 2.087 213 2HE2 GLN 28 2HE2 GLN 28 -15.807 13.498 1.055 214 H VAL 29 H VAL 29 -10.833 8.269 -0.311 215 HA VAL 29 HA VAL 29 -8.672 10.202 -0.730 216 HB VAL 29 HB VAL 29 -8.737 7.557 -0.570 217 1HG1 VAL 29 1HG1 VAL 29 -9.117 6.376 -2.526 218 2HG1 VAL 29 2HG1 VAL 29 -8.741 7.756 -3.558 219 3HG1 VAL 29 3HG1 VAL 29 -10.291 7.677 -2.721 220 1HG2 VAL 29 1HG2 VAL 29 -6.667 8.702 -0.795 221 2HG2 VAL 29 2HG2 VAL 29 -7.047 9.217 -2.439 222 3HG2 VAL 29 3HG2 VAL 29 -6.701 7.522 -2.103 223 H SER 30 H SER 30 -8.324 11.397 -2.629 224 HA SER 30 HA SER 30 -10.645 11.807 -4.393 225 1HB SER 30 2HB SER 30 -8.922 13.491 -3.351 226 2HB SER 30 1HB SER 30 -7.914 13.027 -4.719 227 HG SER 30 HG SER 30 -9.804 13.541 -6.036 228 H ARG 31 H ARG 31 -7.320 10.563 -4.656 229 HA ARG 31 HA ARG 31 -8.067 9.022 -7.046 230 1HB ARG 31 2HB ARG 31 -7.031 11.627 -7.251 231 2HB ARG 31 1HB ARG 31 -5.684 10.554 -7.633 232 1HG ARG 31 2HG ARG 31 -6.558 10.146 -9.659 233 2HG ARG 31 1HG ARG 31 -8.030 9.529 -8.907 234 1HD ARG 31 2HD ARG 31 -9.089 11.324 -9.814 235 2HD ARG 31 1HD ARG 31 -8.219 12.314 -8.626 236 HE ARG 31 HE ARG 31 -6.362 11.865 -10.654 237 1HH1 ARG 31 1HH2 ARG 31 -9.052 11.902 -12.213 238 2HH1 ARG 31 2HH2 ARG 31 -9.077 13.554 -12.734 239 1HH2 ARG 31 1HH1 ARG 31 -6.589 14.560 -10.537 240 2HH2 ARG 31 2HH1 ARG 31 -7.682 15.059 -11.786 241 H TYR 32 H TYR 32 -6.410 7.447 -7.602 242 HA TYR 32 HA TYR 32 -4.428 7.008 -5.395 243 1HB TYR 32 2HB TYR 32 -6.550 5.451 -6.435 244 2HB TYR 32 1HB TYR 32 -5.058 4.671 -6.963 245 HD1 TYR 32 HD1 TYR 32 -7.303 5.204 -4.222 246 HD2 TYR 32 HD2 TYR 32 -3.223 4.276 -5.191 247 HE1 TYR 32 HE1 TYR 32 -6.967 4.296 -1.940 248 HE2 TYR 32 HE2 TYR 32 -2.886 3.367 -2.909 249 HH TYR 32 HH TYR 32 -4.729 4.000 -0.389 250 H ARG 33 H ARG 33 -2.588 7.941 -6.364 251 HA ARG 33 HA ARG 33 -1.900 7.601 -9.150 252 1HB ARG 33 2HB ARG 33 -1.127 9.179 -7.042 253 2HB ARG 33 1HB ARG 33 0.249 8.082 -7.181 254 1HG ARG 33 2HG ARG 33 0.575 8.660 -9.498 255 2HG ARG 33 1HG ARG 33 -0.936 9.570 -9.537 256 1HD ARG 33 2HD ARG 33 0.497 10.697 -7.402 257 2HD ARG 33 1HD ARG 33 1.696 10.464 -8.690 258 HE ARG 33 HE ARG 33 0.466 11.966 -10.066 259 1HH1 ARG 33 1HH2 ARG 33 -0.212 13.099 -7.260 260 2HH1 ARG 33 2HH2 ARG 33 -1.911 13.379 -7.445 261 1HH2 ARG 33 1HH1 ARG 33 -2.184 11.446 -10.313 262 2HH2 ARG 33 2HH1 ARG 33 -3.029 12.444 -9.176 263 H VAL 34 H VAL 34 -1.477 5.560 -9.942 264 HA VAL 34 HA VAL 34 0.109 3.696 -8.203 265 HB VAL 34 HB VAL 34 -1.980 3.397 -10.349 266 1HG1 VAL 34 1HG1 VAL 34 -0.790 1.699 -11.273 267 2HG1 VAL 34 2HG1 VAL 34 -1.186 0.808 -9.802 268 3HG1 VAL 34 3HG1 VAL 34 0.353 1.661 -9.930 269 1HG2 VAL 34 1HG2 VAL 34 -2.434 3.445 -7.830 270 2HG2 VAL 34 2HG2 VAL 34 -1.605 1.890 -7.757 271 3HG2 VAL 34 3HG2 VAL 34 -3.080 2.060 -8.709 272 H THR 35 H THR 35 2.229 4.319 -8.763 273 HA THR 35 HA THR 35 2.939 4.435 -11.657 274 HB THR 35 HB THR 35 5.170 5.063 -10.128 275 HG1 THR 35 HG1 THR 35 4.275 6.467 -8.534 276 1HG2 THR 35 1HG2 THR 35 3.069 7.103 -10.831 277 2HG2 THR 35 2HG2 THR 35 3.971 6.260 -12.087 278 3HG2 THR 35 3HG2 THR 35 4.824 7.258 -10.910 279 H TYR 36 H TYR 36 4.568 3.077 -12.503 280 HA TYR 36 HA TYR 36 5.768 1.012 -10.736 281 1HB TYR 36 2HB TYR 36 4.983 -0.684 -12.543 282 2HB TYR 36 1HB TYR 36 3.777 -0.101 -11.396 283 HD1 TYR 36 HD1 TYR 36 2.236 1.778 -12.063 284 HD2 TYR 36 HD2 TYR 36 4.810 -0.208 -14.870 285 HE1 TYR 36 HE1 TYR 36 0.887 2.674 -13.940 286 HE2 TYR 36 HE2 TYR 36 3.459 0.690 -16.746 287 HH TYR 36 HH TYR 36 1.342 1.591 -17.218 288 H SER 37 H SER 37 7.610 -0.052 -11.794 289 HA SER 37 HA SER 37 8.477 1.200 -14.356 290 1HB SER 37 2HB SER 37 10.173 2.346 -13.377 291 2HB SER 37 1HB SER 37 9.262 2.121 -11.887 292 HG SER 37 HG SER 37 11.446 1.394 -11.736 293 H SER 38 H SER 38 10.641 0.160 -15.052 294 HA SER 38 HA SER 38 10.786 -2.715 -14.251 295 1HB SER 38 2HB SER 38 9.598 -1.635 -16.567 296 2HB SER 38 1HB SER 38 11.144 -2.295 -17.095 297 HG SER 38 HG SER 38 9.928 -4.057 -17.103 298 HA PRO 39 HA PRO 39 15.108 -2.079 -14.780 299 1HB PRO 39 2HB PRO 39 15.955 -4.522 -15.653 300 2HB PRO 39 1HB PRO 39 15.397 -4.230 -13.995 301 1HG PRO 39 2HG PRO 39 14.027 -5.595 -16.230 302 2HG PRO 39 1HG PRO 39 13.861 -5.833 -14.485 303 1HD PRO 39 2HD PRO 39 12.094 -4.412 -16.151 304 2HD PRO 39 1HD PRO 39 12.109 -4.403 -14.373 305 H GLU 40 H GLU 40 13.576 -1.190 -17.095 306 HA GLU 40 HA GLU 40 15.596 -0.871 -19.056 307 1HB GLU 40 2HB GLU 40 14.182 -3.416 -19.046 308 2HB GLU 40 1HB GLU 40 13.971 -2.576 -20.582 309 1HG GLU 40 2HG GLU 40 16.711 -2.672 -19.377 310 2HG GLU 40 1HG GLU 40 16.087 -4.121 -20.166 311 H ASP 41 H ASP 41 12.146 -1.782 -19.434 312 HA ASP 41 HA ASP 41 11.379 0.177 -21.269 313 1HB ASP 41 2HB ASP 41 10.198 -1.731 -19.563 314 2HB ASP 41 1HB ASP 41 9.368 -0.215 -19.215 315 H GLY 42 H GLY 42 12.017 0.534 -17.834 316 1HA GLY 42 2HA GLY 42 12.647 2.696 -16.907 317 2HA GLY 42 1HA GLY 42 11.644 3.471 -18.131 318 H ILE 43 H ILE 43 10.467 4.654 -16.483 319 HA ILE 43 HA ILE 43 8.727 2.938 -14.756 320 HB ILE 43 HB ILE 43 10.396 4.609 -13.768 321 1HG1 ILE 43 2HG1 ILE 43 7.782 5.537 -12.796 322 2HG1 ILE 43 1HG1 ILE 43 7.886 3.782 -12.946 323 1HG2 ILE 43 1HG2 ILE 43 9.796 6.946 -13.823 324 2HG2 ILE 43 2HG2 ILE 43 8.293 6.593 -14.677 325 3HG2 ILE 43 3HG2 ILE 43 9.843 6.378 -15.492 326 1HD1 ILE 43 1HD1 ILE 43 10.010 3.832 -11.644 327 2HD1 ILE 43 2HD1 ILE 43 8.637 4.444 -10.722 328 3HD1 ILE 43 3HD1 ILE 43 9.802 5.569 -11.423 329 H HIS 44 H HIS 44 6.494 3.509 -14.565 330 HA HIS 44 HA HIS 44 5.443 5.391 -16.643 331 1HB HIS 44 2HB HIS 44 5.080 2.488 -16.268 332 2HB HIS 44 1HB HIS 44 3.571 3.377 -16.467 333 HD1 HIS 44 HD1 HIS 44 3.746 5.227 -18.587 334 HD2 HIS 44 HD2 HIS 44 6.200 1.859 -18.702 335 HE1 HIS 44 HE1 HIS 44 4.472 4.948 -21.001 336 H GLU 45 H GLU 45 2.860 5.526 -16.083 337 HA GLU 45 HA GLU 45 2.457 5.551 -13.136 338 1HB GLU 45 2HB GLU 45 1.881 7.939 -13.204 339 2HB GLU 45 1HB GLU 45 3.519 7.693 -13.809 340 1HG GLU 45 2HG GLU 45 2.461 7.570 -16.150 341 2HG GLU 45 1HG GLU 45 1.008 8.230 -15.400 342 H LEU 46 H LEU 46 0.423 4.789 -12.744 343 HA LEU 46 HA LEU 46 -1.557 4.708 -14.950 344 1HB LEU 46 2HB LEU 46 -0.838 2.827 -13.268 345 2HB LEU 46 1HB LEU 46 -1.917 3.653 -12.156 346 HG LEU 46 HG LEU 46 -3.734 3.482 -13.871 347 1HD1 LEU 46 1HD1 LEU 46 -3.340 1.793 -15.700 348 2HD1 LEU 46 2HD1 LEU 46 -1.627 1.821 -15.279 349 3HD1 LEU 46 3HD1 LEU 46 -2.411 3.280 -15.886 350 1HD2 LEU 46 1HD2 LEU 46 -4.337 1.576 -12.822 351 2HD2 LEU 46 2HD2 LEU 46 -2.714 1.519 -12.136 352 3HD2 LEU 46 3HD2 LEU 46 -3.067 0.664 -13.638 353 H PHE 47 H PHE 47 -2.865 6.476 -15.128 354 HA PHE 47 HA PHE 47 -3.371 8.243 -12.830 355 1HB PHE 47 2HB PHE 47 -3.272 8.365 -15.701 356 2HB PHE 47 1HB PHE 47 -4.821 9.000 -15.150 357 HD1 PHE 47 HD1 PHE 47 -1.270 9.109 -13.903 358 HD2 PHE 47 HD2 PHE 47 -4.835 11.308 -14.864 359 HE1 PHE 47 HE1 PHE 47 -0.162 11.216 -13.200 360 HE2 PHE 47 HE2 PHE 47 -3.727 13.412 -14.158 361 HZ PHE 47 HZ PHE 47 -1.392 13.367 -13.327 362 HA PRO 48 HA PRO 48 -7.791 6.633 -13.899 363 1HB PRO 48 2HB PRO 48 -7.975 4.017 -14.684 364 2HB PRO 48 1HB PRO 48 -7.876 5.373 -15.826 365 1HG PRO 48 2HG PRO 48 -5.761 3.482 -14.945 366 2HG PRO 48 1HG PRO 48 -6.038 4.210 -16.534 367 1HD PRO 48 2HD PRO 48 -4.132 5.063 -14.774 368 2HD PRO 48 1HD PRO 48 -4.859 6.102 -16.018 369 H ALA 49 H ALA 49 -7.987 6.705 -11.669 370 HA ALA 49 HA ALA 49 -6.890 4.743 -9.858 371 1HB ALA 49 1HB ALA 49 -7.982 7.262 -9.757 372 2HB ALA 49 2HB ALA 49 -7.653 6.263 -8.342 373 3HB ALA 49 3HB ALA 49 -9.267 6.285 -9.047 374 HA PRO 50 HA PRO 50 -10.063 1.707 -9.641 375 1HB PRO 50 2HB PRO 50 -10.766 1.561 -7.008 376 2HB PRO 50 1HB PRO 50 -9.206 0.979 -7.623 377 1HG PRO 50 2HG PRO 50 -9.851 3.522 -6.211 378 2HG PRO 50 1HG PRO 50 -8.426 2.480 -6.069 379 1HD PRO 50 2HD PRO 50 -8.464 4.808 -7.503 380 2HD PRO 50 1HD PRO 50 -7.380 3.445 -7.860 381 H ASP 51 H ASP 51 -12.379 1.373 -8.263 382 HA ASP 51 HA ASP 51 -13.940 3.873 -8.815 383 1HB ASP 51 2HB ASP 51 -14.181 2.092 -10.514 384 2HB ASP 51 1HB ASP 51 -14.669 0.963 -9.248 385 H GLY 52 H GLY 52 -13.456 1.083 -6.722 386 1HA GLY 52 2HA GLY 52 -14.273 2.157 -4.334 387 2HA GLY 52 1HA GLY 52 -15.800 1.667 -5.071 388 H GLU 53 H GLU 53 -15.241 -0.698 -6.273 389 HA GLU 53 HA GLU 53 -14.656 -2.446 -3.957 390 1HB GLU 53 2HB GLU 53 -16.422 -2.407 -6.208 391 2HB GLU 53 1HB GLU 53 -15.427 -3.860 -6.313 392 1HG GLU 53 2HG GLU 53 -16.037 -4.488 -4.032 393 2HG GLU 53 1HG GLU 53 -16.960 -2.995 -3.845 394 H GLU 54 H GLU 54 -12.666 -1.006 -5.964 395 HA GLU 54 HA GLU 54 -11.099 -3.477 -6.636 396 1HB GLU 54 2HB GLU 54 -11.830 -1.021 -8.060 397 2HB GLU 54 1HB GLU 54 -10.107 -1.379 -8.150 398 1HG GLU 54 2HG GLU 54 -11.880 -3.712 -8.543 399 2HG GLU 54 1HG GLU 54 -11.975 -2.484 -9.806 400 H ASP 55 H ASP 55 -10.408 -3.125 -4.232 401 HA ASP 55 HA ASP 55 -8.622 -0.866 -3.700 402 1HB ASP 55 2HB ASP 55 -8.316 -2.091 -1.558 403 2HB ASP 55 1HB ASP 55 -10.021 -1.923 -1.973 404 H THR 56 H THR 56 -8.227 -3.416 -5.686 405 HA THR 56 HA THR 56 -5.350 -3.815 -4.945 406 HB THR 56 HB THR 56 -5.675 -5.983 -6.207 407 HG1 THR 56 HG1 THR 56 -7.703 -6.533 -6.817 408 1HG2 THR 56 1HG2 THR 56 -6.409 -7.043 -4.308 409 2HG2 THR 56 2HG2 THR 56 -7.772 -5.944 -4.097 410 3HG2 THR 56 3HG2 THR 56 -6.149 -5.436 -3.628 411 H ALA 57 H ALA 57 -4.104 -4.518 -7.085 412 HA ALA 57 HA ALA 57 -4.878 -2.585 -9.243 413 1HB ALA 57 1HB ALA 57 -2.814 -1.727 -8.965 414 2HB ALA 57 2HB ALA 57 -2.093 -3.314 -9.240 415 3HB ALA 57 3HB ALA 57 -2.573 -2.832 -7.613 416 H GLU 58 H GLU 58 -5.305 -3.520 -11.177 417 HA GLU 58 HA GLU 58 -4.438 -6.341 -11.655 418 1HB GLU 58 2HB GLU 58 -6.865 -5.040 -11.856 419 2HB GLU 58 1HB GLU 58 -6.292 -5.020 -13.524 420 1HG GLU 58 2HG GLU 58 -6.475 -7.285 -13.752 421 2HG GLU 58 1HG GLU 58 -5.931 -7.591 -12.102 422 H LEU 59 H LEU 59 -2.219 -5.516 -12.169 423 HA LEU 59 HA LEU 59 -1.885 -3.811 -14.534 424 1HB LEU 59 2HB LEU 59 -0.139 -5.253 -12.556 425 2HB LEU 59 1HB LEU 59 0.571 -4.606 -14.033 426 HG LEU 59 HG LEU 59 -1.055 -3.011 -12.032 427 1HD1 LEU 59 1HD1 LEU 59 1.212 -1.872 -11.708 428 2HD1 LEU 59 2HD1 LEU 59 1.916 -3.250 -12.553 429 3HD1 LEU 59 3HD1 LEU 59 1.060 -3.494 -11.031 430 1HD2 LEU 59 1HD2 LEU 59 0.594 -1.502 -13.871 431 2HD2 LEU 59 2HD2 LEU 59 -1.146 -1.396 -13.604 432 3HD2 LEU 59 3HD2 LEU 59 -0.501 -2.555 -14.765 433 H GLN 60 H GLN 60 -3.046 -5.188 -16.045 434 HA GLN 60 HA GLN 60 -1.757 -7.789 -16.666 435 1HB GLN 60 2HB GLN 60 -4.274 -6.546 -17.771 436 2HB GLN 60 1HB GLN 60 -3.836 -8.251 -17.756 437 1HG GLN 60 2HG GLN 60 -3.970 -8.296 -15.304 438 2HG GLN 60 1HG GLN 60 -4.337 -6.569 -15.278 439 1HE2 GLN 60 1HE2 GLN 60 -6.386 -5.951 -16.604 440 2HE2 GLN 60 2HE2 GLN 60 -7.688 -7.039 -16.554 441 H GLY 61 H GLY 61 -0.132 -7.624 -18.141 442 1HA GLY 61 2HA GLY 61 0.155 -7.303 -20.651 443 2HA GLY 61 1HA GLY 61 -0.459 -5.671 -20.380 444 H LEU 62 H LEU 62 1.981 -7.702 -18.711 445 HA LEU 62 HA LEU 62 3.827 -5.340 -18.794 446 1HB LEU 62 2HB LEU 62 3.918 -7.765 -16.984 447 2HB LEU 62 1HB LEU 62 4.707 -6.207 -16.736 448 HG LEU 62 HG LEU 62 1.710 -6.670 -16.789 449 1HD1 LEU 62 1HD1 LEU 62 3.382 -5.782 -14.439 450 2HD1 LEU 62 2HD1 LEU 62 3.101 -7.491 -14.769 451 3HD1 LEU 62 3HD1 LEU 62 1.739 -6.421 -14.436 452 1HD2 LEU 62 1HD2 LEU 62 2.003 -4.231 -15.723 453 2HD2 LEU 62 2HD2 LEU 62 1.871 -4.469 -17.465 454 3HD2 LEU 62 3HD2 LEU 62 3.455 -4.247 -16.723 455 H ARG 63 H ARG 63 6.205 -6.652 -18.225 456 HA ARG 63 HA ARG 63 6.647 -8.263 -20.710 457 1HB ARG 63 2HB ARG 63 8.033 -6.104 -19.279 458 2HB ARG 63 1HB ARG 63 9.102 -7.423 -19.758 459 1HG ARG 63 2HG ARG 63 7.881 -7.238 -22.062 460 2HG ARG 63 1HG ARG 63 7.423 -5.634 -21.493 461 1HD ARG 63 2HD ARG 63 9.447 -4.966 -22.306 462 2HD ARG 63 1HD ARG 63 10.131 -5.769 -20.877 463 HE ARG 63 HE ARG 63 9.696 -7.830 -22.699 464 1HH1 ARG 63 1HH2 ARG 63 10.275 -5.726 -24.765 465 2HH1 ARG 63 2HH2 ARG 63 11.995 -5.849 -24.927 466 1HH2 ARG 63 1HH1 ARG 63 12.409 -7.618 -21.972 467 2HH2 ARG 63 2HH1 ARG 63 13.205 -6.922 -23.344 468 HA PRO 64 HA PRO 64 7.693 -11.657 -18.102 469 1HB PRO 64 2HB PRO 64 8.990 -13.198 -19.944 470 2HB PRO 64 1HB PRO 64 7.229 -12.984 -19.933 471 1HG PRO 64 2HG PRO 64 9.268 -11.754 -21.698 472 2HG PRO 64 1HG PRO 64 7.592 -12.205 -22.048 473 1HD PRO 64 2HD PRO 64 8.491 -9.621 -21.535 474 2HD PRO 64 1HD PRO 64 6.802 -10.165 -21.436 475 H GLY 65 H GLY 65 9.483 -12.351 -16.872 476 1HA GLY 65 2HA GLY 65 11.688 -12.422 -16.072 477 2HA GLY 65 1HA GLY 65 12.216 -12.099 -17.724 478 H SER 66 H SER 66 10.633 -10.359 -15.017 479 HA SER 66 HA SER 66 12.658 -8.266 -15.048 480 1HB SER 66 2HB SER 66 10.177 -8.069 -16.658 481 2HB SER 66 1HB SER 66 10.587 -6.637 -15.720 482 HG SER 66 HG SER 66 12.394 -6.395 -16.859 483 H GLU 67 H GLU 67 12.684 -7.496 -12.971 484 HA GLU 67 HA GLU 67 10.524 -8.116 -11.101 485 1HB GLU 67 2HB GLU 67 13.166 -7.876 -10.869 486 2HB GLU 67 1HB GLU 67 12.756 -6.194 -10.536 487 1HG GLU 67 2HG GLU 67 12.206 -6.759 -8.429 488 2HG GLU 67 1HG GLU 67 10.939 -7.814 -9.059 489 H TYR 68 H TYR 68 8.691 -6.906 -11.868 490 HA TYR 68 HA TYR 68 8.800 -4.095 -12.515 491 1HB TYR 68 2HB TYR 68 6.796 -6.244 -12.092 492 2HB TYR 68 1HB TYR 68 6.206 -4.593 -11.898 493 HD1 TYR 68 HD1 TYR 68 6.578 -2.920 -13.767 494 HD2 TYR 68 HD2 TYR 68 7.279 -7.132 -14.242 495 HE1 TYR 68 HE1 TYR 68 6.518 -2.652 -16.233 496 HE2 TYR 68 HE2 TYR 68 7.220 -6.865 -16.703 497 HH TYR 68 HH TYR 68 7.726 -4.420 -18.304 498 H THR 69 H THR 69 9.072 -2.452 -11.067 499 HA THR 69 HA THR 69 8.433 -2.915 -8.186 500 HB THR 69 HB THR 69 9.868 -0.582 -9.473 501 HG1 THR 69 HG1 THR 69 11.682 -2.117 -8.582 502 1HG2 THR 69 1HG2 THR 69 9.669 -1.764 -6.716 503 2HG2 THR 69 2HG2 THR 69 9.456 -0.088 -7.220 504 3HG2 THR 69 3HG2 THR 69 11.071 -0.797 -7.173 505 H VAL 70 H VAL 70 6.154 -2.543 -8.174 506 HA VAL 70 HA VAL 70 5.097 -0.078 -9.419 507 HB VAL 70 HB VAL 70 3.739 -2.279 -7.849 508 1HG1 VAL 70 1HG1 VAL 70 2.739 0.147 -8.621 509 2HG1 VAL 70 2HG1 VAL 70 1.763 -1.312 -8.436 510 3HG1 VAL 70 3HG1 VAL 70 2.358 -0.843 -10.030 511 1HG2 VAL 70 1HG2 VAL 70 4.830 -2.145 -10.598 512 2HG2 VAL 70 2HG2 VAL 70 3.173 -2.737 -10.484 513 3HG2 VAL 70 3HG2 VAL 70 4.463 -3.553 -9.601 514 H SER 71 H SER 71 4.454 1.719 -8.272 515 HA SER 71 HA SER 71 4.831 1.650 -5.293 516 1HB SER 71 2HB SER 71 4.719 4.294 -6.139 517 2HB SER 71 1HB SER 71 6.195 3.377 -5.852 518 HG SER 71 HG SER 71 4.898 4.029 -8.239 519 H VAL 72 H VAL 72 3.014 1.953 -4.058 520 HA VAL 72 HA VAL 72 0.500 2.795 -5.452 521 HB VAL 72 HB VAL 72 1.035 1.279 -2.879 522 1HG1 VAL 72 1HG1 VAL 72 -1.617 1.418 -4.287 523 2HG1 VAL 72 2HG1 VAL 72 -1.147 2.715 -3.187 524 3HG1 VAL 72 3HG1 VAL 72 -1.273 1.058 -2.595 525 1HG2 VAL 72 1HG2 VAL 72 1.514 0.253 -5.245 526 2HG2 VAL 72 2HG2 VAL 72 -0.243 0.177 -5.374 527 3HG2 VAL 72 3HG2 VAL 72 0.585 -0.688 -4.079 528 H VAL 73 H VAL 73 -0.232 4.842 -4.990 529 HA VAL 73 HA VAL 73 0.369 5.978 -2.285 530 HB VAL 73 HB VAL 73 0.676 7.357 -4.970 531 1HG1 VAL 73 1HG1 VAL 73 0.275 9.149 -3.592 532 2HG1 VAL 73 2HG1 VAL 73 1.976 8.917 -3.186 533 3HG1 VAL 73 3HG1 VAL 73 0.720 8.262 -2.135 534 1HG2 VAL 73 1HG2 VAL 73 3.131 7.376 -3.751 535 2HG2 VAL 73 2HG2 VAL 73 2.637 6.195 -4.962 536 3HG2 VAL 73 3HG2 VAL 73 2.510 5.805 -3.246 537 H ALA 74 H ALA 74 -1.511 6.670 -1.359 538 HA ALA 74 HA ALA 74 -3.919 7.083 -3.053 539 1HB ALA 74 1HB ALA 74 -4.985 7.178 -0.742 540 2HB ALA 74 2HB ALA 74 -3.382 6.867 -0.076 541 3HB ALA 74 3HB ALA 74 -4.156 5.666 -1.113 542 H LEU 75 H LEU 75 -5.198 9.077 -2.775 543 HA LEU 75 HA LEU 75 -3.520 11.408 -1.924 544 1HB LEU 75 2HB LEU 75 -5.479 10.988 -4.183 545 2HB LEU 75 1HB LEU 75 -4.841 12.575 -3.745 546 HG LEU 75 HG LEU 75 -3.003 10.251 -4.255 547 1HD1 LEU 75 1HD1 LEU 75 -3.216 10.420 -6.506 548 2HD1 LEU 75 2HD1 LEU 75 -3.343 12.178 -6.446 549 3HD1 LEU 75 3HD1 LEU 75 -4.767 11.181 -6.158 550 1HD2 LEU 75 1HD2 LEU 75 -2.576 13.202 -4.722 551 2HD2 LEU 75 2HD2 LEU 75 -1.361 11.945 -4.495 552 3HD2 LEU 75 3HD2 LEU 75 -2.343 12.480 -3.131 553 H HIS 76 H HIS 76 -4.984 13.399 -1.590 554 HA HIS 76 HA HIS 76 -7.646 12.789 -0.427 555 1HB HIS 76 2HB HIS 76 -5.333 12.813 1.106 556 2HB HIS 76 1HB HIS 76 -5.944 14.457 1.296 557 HD1 HIS 76 HD1 HIS 76 -7.732 14.742 3.014 558 HD2 HIS 76 HD2 HIS 76 -7.512 10.803 1.666 559 HE1 HIS 76 HE1 HIS 76 -9.384 13.415 4.405 560 H ASP 77 H ASP 77 -7.753 15.417 0.862 561 HA ASP 77 HA ASP 77 -8.722 17.071 -1.145 562 1HB ASP 77 2HB ASP 77 -7.473 17.471 1.544 563 2HB ASP 77 1HB ASP 77 -7.795 18.901 0.562 564 H ASP 78 H ASP 78 -5.376 16.708 -0.037 565 HA ASP 78 HA ASP 78 -4.190 17.375 -2.555 566 1HB ASP 78 2HB ASP 78 -3.471 19.660 -2.102 567 2HB ASP 78 1HB ASP 78 -5.220 19.586 -1.895 568 H MET 79 H MET 79 -3.511 15.322 -0.987 569 HA MET 79 HA MET 79 -0.969 16.179 0.359 570 1HB MET 79 2HB MET 79 -3.306 14.594 1.271 571 2HB MET 79 1HB MET 79 -1.724 13.970 1.741 572 1HG MET 79 2HG MET 79 -1.650 16.779 2.150 573 2HG MET 79 1HG MET 79 -3.167 16.203 2.841 574 1HE MET 79 1HE MET 79 -1.958 17.355 4.844 575 2HE MET 79 2HE MET 79 -0.276 17.387 4.321 576 3HE MET 79 3HE MET 79 -0.703 16.601 5.839 577 H GLU 80 H GLU 80 0.529 14.236 0.644 578 HA GLU 80 HA GLU 80 0.272 12.295 -1.627 579 1HB GLU 80 2HB GLU 80 2.469 14.157 -0.781 580 2HB GLU 80 1HB GLU 80 2.913 12.614 -1.510 581 1HG GLU 80 2HG GLU 80 1.908 13.134 -3.551 582 2HG GLU 80 1HG GLU 80 0.820 14.320 -2.827 583 H SER 81 H SER 81 -0.658 11.121 0.403 584 HA SER 81 HA SER 81 0.577 10.349 2.710 585 1HB SER 81 2HB SER 81 -1.575 9.540 1.528 586 2HB SER 81 1HB SER 81 -0.554 8.297 0.808 587 HG SER 81 HG SER 81 -0.821 8.833 3.590 588 H GLN 82 H GLN 82 2.216 8.903 3.352 589 HA GLN 82 HA GLN 82 4.598 8.659 2.016 590 1HB GLN 82 2HB GLN 82 3.107 6.973 3.995 591 2HB GLN 82 1HB GLN 82 4.627 6.350 3.350 592 1HG GLN 82 2HG GLN 82 5.120 7.597 5.370 593 2HG GLN 82 1HG GLN 82 5.715 8.522 3.992 594 1HE2 GLN 82 1HE2 GLN 82 2.788 8.247 6.084 595 2HE2 GLN 82 2HE2 GLN 82 2.394 9.895 5.999 596 HA PRO 83 HA PRO 83 3.419 6.180 -1.496 597 1HB PRO 83 2HB PRO 83 5.907 6.074 -2.627 598 2HB PRO 83 1HB PRO 83 4.845 7.491 -2.751 599 1HG PRO 83 2HG PRO 83 7.166 7.020 -0.942 600 2HG PRO 83 1HG PRO 83 6.669 8.500 -1.781 601 1HD PRO 83 2HD PRO 83 6.183 8.048 0.868 602 2HD PRO 83 1HD PRO 83 5.148 9.069 -0.156 603 H LEU 84 H LEU 84 3.118 4.011 -1.201 604 HA LEU 84 HA LEU 84 5.073 2.420 0.337 605 1HB LEU 84 2HB LEU 84 2.573 2.340 0.625 606 2HB LEU 84 1HB LEU 84 2.461 1.647 -0.994 607 HG LEU 84 HG LEU 84 4.164 -0.107 -0.119 608 1HD1 LEU 84 1HD1 LEU 84 4.697 1.106 1.970 609 2HD1 LEU 84 2HD1 LEU 84 4.029 -0.490 2.313 610 3HD1 LEU 84 3HD1 LEU 84 3.019 0.946 2.487 611 1HD2 LEU 84 1HD2 LEU 84 1.563 -0.422 1.298 612 2HD2 LEU 84 2HD2 LEU 84 2.388 -1.526 0.197 613 3HD2 LEU 84 3HD2 LEU 84 1.493 -0.150 -0.443 614 H ILE 85 H ILE 85 5.887 0.352 -0.565 615 HA ILE 85 HA ILE 85 6.280 0.516 -3.532 616 HB ILE 85 HB ILE 85 7.977 -0.407 -1.214 617 1HG1 ILE 85 2HG1 ILE 85 7.880 2.024 -1.991 618 2HG1 ILE 85 1HG1 ILE 85 9.484 1.292 -1.979 619 1HG2 ILE 85 1HG2 ILE 85 8.387 -0.896 -4.177 620 2HG2 ILE 85 2HG2 ILE 85 8.219 -2.117 -2.915 621 3HG2 ILE 85 3HG2 ILE 85 9.650 -1.086 -2.960 622 1HD1 ILE 85 1HD1 ILE 85 8.202 2.515 -4.166 623 2HD1 ILE 85 2HD1 ILE 85 8.167 0.784 -4.505 624 3HD1 ILE 85 3HD1 ILE 85 9.705 1.592 -4.200 625 H GLY 86 H GLY 86 6.036 -1.394 -4.739 626 1HA GLY 86 2HA GLY 86 5.348 -3.910 -3.330 627 2HA GLY 86 1HA GLY 86 4.133 -3.239 -4.422 628 H THR 87 H THR 87 7.476 -4.420 -4.296 629 HA THR 87 HA THR 87 7.637 -4.531 -7.248 630 HB THR 87 HB THR 87 9.636 -5.655 -5.300 631 HG1 THR 87 HG1 THR 87 10.350 -3.607 -4.879 632 1HG2 THR 87 1HG2 THR 87 10.876 -5.719 -7.172 633 2HG2 THR 87 2HG2 THR 87 10.727 -3.967 -7.323 634 3HG2 THR 87 3HG2 THR 87 9.542 -5.024 -8.091 635 H GLN 88 H GLN 88 8.115 -6.564 -8.365 636 HA GLN 88 HA GLN 88 7.866 -9.135 -7.033 637 1HB GLN 88 2HB GLN 88 5.551 -8.296 -6.877 638 2HB GLN 88 1HB GLN 88 5.525 -8.040 -8.622 639 1HG GLN 88 2HG GLN 88 4.440 -10.191 -7.921 640 2HG GLN 88 1HG GLN 88 5.791 -10.418 -9.032 641 1HE2 GLN 88 1HE2 GLN 88 6.120 -12.622 -8.139 642 2HE2 GLN 88 2HE2 GLN 88 6.866 -12.828 -6.627 643 H SER 89 H SER 89 8.512 -10.793 -8.455 644 HA SER 89 HA SER 89 9.604 -9.955 -11.052 645 1HB SER 89 2HB SER 89 9.820 -12.158 -9.130 646 2HB SER 89 1HB SER 89 9.873 -12.704 -10.803 647 HG SER 89 HG SER 89 11.945 -12.140 -10.097 648 H THR 90 H THR 90 8.546 -10.212 -12.989 649 HA THR 90 HA THR 90 5.836 -11.145 -13.161 650 HB THR 90 HB THR 90 6.830 -11.217 -15.715 651 HG1 THR 90 HG1 THR 90 8.325 -9.262 -15.448 652 1HG2 THR 90 1HG2 THR 90 5.043 -9.770 -15.218 653 2HG2 THR 90 2HG2 THR 90 6.357 -8.670 -15.635 654 3HG2 THR 90 3HG2 THR 90 5.946 -8.949 -13.943 655 H ALA 91 H ALA 91 5.057 -13.213 -13.473 656 HA ALA 91 HA ALA 91 6.938 -15.468 -13.532 657 1HB ALA 91 1HB ALA 91 5.129 -16.572 -12.699 658 2HB ALA 91 2HB ALA 91 4.064 -15.944 -13.957 659 3HB ALA 91 3HB ALA 91 4.421 -14.965 -12.535 660 H ILE 92 H ILE 92 7.916 -15.630 -15.572 661 HA ILE 92 HA ILE 92 6.779 -15.040 -18.087 662 HB ILE 92 HB ILE 92 8.631 -16.252 -18.974 663 1HG1 ILE 92 2HG1 ILE 92 8.130 -18.434 -17.991 664 2HG1 ILE 92 1HG1 ILE 92 9.806 -18.012 -17.644 665 1HG2 ILE 92 1HG2 ILE 92 10.385 -15.286 -17.823 666 2HG2 ILE 92 2HG2 ILE 92 9.755 -15.765 -16.247 667 3HG2 ILE 92 3HG2 ILE 92 9.041 -14.399 -17.104 668 1HD1 ILE 92 1HD1 ILE 92 7.440 -17.776 -15.772 669 2HD1 ILE 92 2HD1 ILE 92 9.036 -17.112 -15.422 670 3HD1 ILE 92 3HD1 ILE 92 8.826 -18.852 -15.606 671 HA PRO 93 HA PRO 93 4.040 -18.354 -18.898 672 1HB PRO 93 2HB PRO 93 4.319 -18.656 -21.595 673 2HB PRO 93 1HB PRO 93 3.525 -17.251 -20.859 674 1HG PRO 93 2HG PRO 93 6.210 -17.471 -22.077 675 2HG PRO 93 1HG PRO 93 5.132 -16.073 -21.958 676 1HD PRO 93 2HD PRO 93 7.379 -16.582 -20.346 677 2HD PRO 93 1HD PRO 93 6.113 -15.374 -20.039 678 H ALA 94 H ALA 94 4.764 -20.303 -17.994 679 HA ALA 94 HA ALA 94 6.982 -21.770 -19.341 680 1HB ALA 94 1HB ALA 94 5.518 -22.061 -16.704 681 2HB ALA 94 2HB ALA 94 7.159 -21.463 -16.948 682 3HB ALA 94 3HB ALA 94 6.787 -23.164 -17.237 Start of MODEL 9 1 1H ASN 1 1H ASN 1 -7.355 14.634 5.556 2 2H ASN 1 2H ASN 1 -6.337 15.322 4.381 3 3H ASN 1 3H ASN 1 -6.418 15.994 5.940 4 HA ASN 1 HA ASN 1 -4.406 14.766 5.876 5 1HB ASN 1 2HB ASN 1 -5.767 14.611 7.900 6 2HB ASN 1 1HB ASN 1 -6.695 13.283 7.202 7 1HD2 ASN 1 1HD2 ASN 1 -6.053 11.478 8.426 8 2HD2 ASN 1 2HD2 ASN 1 -4.438 11.012 8.663 9 H ILE 2 H ILE 2 -3.350 12.651 5.483 10 HA ILE 2 HA ILE 2 -4.718 11.095 3.322 11 HB ILE 2 HB ILE 2 -1.878 11.937 3.892 12 1HG1 ILE 2 2HG1 ILE 2 -3.397 13.409 2.560 13 2HG1 ILE 2 1HG1 ILE 2 -2.022 12.826 1.622 14 1HG2 ILE 2 1HG2 ILE 2 -1.318 9.821 3.244 15 2HG2 ILE 2 2HG2 ILE 2 -1.607 10.493 1.640 16 3HG2 ILE 2 3HG2 ILE 2 -2.861 9.548 2.438 17 1HD1 ILE 2 1HD1 ILE 2 -3.683 10.852 1.012 18 2HD1 ILE 2 2HD1 ILE 2 -3.756 12.383 0.138 19 3HD1 ILE 2 3HD1 ILE 2 -4.910 12.049 1.427 20 H ASP 3 H ASP 3 -5.415 9.150 4.159 21 HA ASP 3 HA ASP 3 -4.477 7.984 6.599 22 1HB ASP 3 2HB ASP 3 -6.685 7.647 5.497 23 2HB ASP 3 1HB ASP 3 -5.880 6.718 4.231 24 H ARG 4 H ARG 4 -3.076 8.006 3.472 25 HA ARG 4 HA ARG 4 -1.505 6.538 2.396 26 1HB ARG 4 2HB ARG 4 0.586 6.784 3.610 27 2HB ARG 4 1HB ARG 4 -0.374 8.243 3.846 28 1HG ARG 4 2HG ARG 4 -1.220 7.138 6.012 29 2HG ARG 4 1HG ARG 4 0.091 5.982 5.800 30 1HD ARG 4 2HD ARG 4 1.718 7.529 6.305 31 2HD ARG 4 1HD ARG 4 0.814 8.865 5.566 32 HE ARG 4 HE ARG 4 -0.485 9.067 7.584 33 1HH1 ARG 4 1HH1 ARG 4 -0.279 5.966 7.999 34 2HH1 ARG 4 2HH1 ARG 4 0.524 5.934 9.534 35 1HH2 ARG 4 1HH2 ARG 4 1.459 9.272 9.411 36 2HH2 ARG 4 2HH2 ARG 4 1.510 7.807 10.335 37 HA PRO 5 HA PRO 5 -2.659 2.508 4.082 38 1HB PRO 5 2HB PRO 5 -2.272 1.174 1.722 39 2HB PRO 5 1HB PRO 5 -3.760 2.068 2.102 40 1HG PRO 5 2HG PRO 5 -1.427 2.904 0.440 41 2HG PRO 5 1HG PRO 5 -3.160 3.145 0.155 42 1HD PRO 5 2HD PRO 5 -1.552 5.105 1.118 43 2HD PRO 5 1HD PRO 5 -3.273 4.974 1.551 44 H LYS 6 H LYS 6 -1.385 0.291 3.776 45 HA LYS 6 HA LYS 6 1.436 0.414 3.121 46 1HB LYS 6 2HB LYS 6 0.464 1.282 5.741 47 2HB LYS 6 1HB LYS 6 1.673 0.002 5.859 48 1HG LYS 6 2HG LYS 6 3.344 1.356 5.140 49 2HG LYS 6 1HG LYS 6 2.336 2.074 3.882 50 1HD LYS 6 2HD LYS 6 1.304 3.577 5.454 51 2HD LYS 6 1HD LYS 6 2.053 2.749 6.820 52 1HE LYS 6 2HE LYS 6 3.292 4.823 6.302 53 2HE LYS 6 1HE LYS 6 4.303 3.412 5.932 54 1HZ LYS 6 1HZ LYS 6 2.493 4.592 3.916 55 2HZ LYS 6 2HZ LYS 6 3.816 3.555 3.670 56 3HZ LYS 6 3HZ LYS 6 4.072 5.173 4.125 57 H GLY 7 H GLY 7 2.499 -1.657 3.559 58 1HA GLY 7 2HA GLY 7 2.576 -3.978 3.957 59 2HA GLY 7 1HA GLY 7 1.081 -3.818 4.880 60 H LEU 8 H LEU 8 1.508 -2.793 1.524 61 HA LEU 8 HA LEU 8 -0.854 -3.776 0.475 62 1HB LEU 8 2HB LEU 8 0.143 -3.286 -1.564 63 2HB LEU 8 1HB LEU 8 1.303 -2.508 -0.493 64 HG LEU 8 HG LEU 8 2.294 -5.055 -0.541 65 1HD1 LEU 8 1HD1 LEU 8 1.308 -6.193 -2.228 66 2HD1 LEU 8 2HD1 LEU 8 2.158 -5.107 -3.327 67 3HD1 LEU 8 3HD1 LEU 8 0.506 -4.743 -2.830 68 1HD2 LEU 8 1HD2 LEU 8 4.084 -3.922 -1.336 69 2HD2 LEU 8 2HD2 LEU 8 3.040 -2.503 -1.430 70 3HD2 LEU 8 3HD2 LEU 8 3.250 -3.539 -2.841 71 H ALA 9 H ALA 9 -1.424 -5.770 -0.669 72 HA ALA 9 HA ALA 9 0.163 -8.152 0.245 73 1HB ALA 9 1HB ALA 9 -2.805 -7.955 -0.342 74 2HB ALA 9 2HB ALA 9 -2.117 -7.738 1.266 75 3HB ALA 9 3HB ALA 9 -1.967 -9.291 0.445 76 H PHE 10 H PHE 10 -0.312 -10.107 -1.262 77 HA PHE 10 HA PHE 10 -0.573 -9.198 -4.107 78 1HB PHE 10 2HB PHE 10 1.492 -10.925 -2.739 79 2HB PHE 10 1HB PHE 10 1.247 -10.994 -4.484 80 HD1 PHE 10 HD1 PHE 10 2.535 -9.021 -1.693 81 HD2 PHE 10 HD2 PHE 10 1.629 -8.980 -5.890 82 HE1 PHE 10 HE1 PHE 10 3.916 -6.979 -1.971 83 HE2 PHE 10 HE2 PHE 10 3.011 -6.938 -6.168 84 HZ PHE 10 HZ PHE 10 4.152 -5.938 -4.208 85 H THR 11 H THR 11 -1.646 -10.691 -5.472 86 HA THR 11 HA THR 11 -2.884 -13.035 -4.078 87 HB THR 11 HB THR 11 -3.790 -11.045 -6.150 88 HG1 THR 11 HG1 THR 11 -5.369 -10.716 -4.690 89 1HG2 THR 11 1HG2 THR 11 -5.893 -12.729 -6.052 90 2HG2 THR 11 2HG2 THR 11 -4.576 -13.892 -5.895 91 3HG2 THR 11 3HG2 THR 11 -4.647 -12.823 -7.296 92 H ASP 12 H ASP 12 -1.969 -11.962 -7.385 93 HA ASP 12 HA ASP 12 -0.686 -14.586 -7.863 94 1HB ASP 12 2HB ASP 12 -3.238 -13.573 -9.038 95 2HB ASP 12 1HB ASP 12 -2.155 -14.478 -10.098 96 H VAL 13 H VAL 13 1.141 -14.259 -9.077 97 HA VAL 13 HA VAL 13 1.371 -11.691 -10.602 98 HB VAL 13 HB VAL 13 2.797 -11.958 -8.577 99 1HG1 VAL 13 1HG1 VAL 13 4.013 -13.836 -8.168 100 2HG1 VAL 13 2HG1 VAL 13 4.525 -13.979 -9.849 101 3HG1 VAL 13 3HG1 VAL 13 2.950 -14.594 -9.352 102 1HG2 VAL 13 1HG2 VAL 13 5.027 -12.061 -10.242 103 2HG2 VAL 13 2HG2 VAL 13 4.100 -10.615 -9.842 104 3HG2 VAL 13 3HG2 VAL 13 3.730 -11.521 -11.309 105 H ASP 14 H ASP 14 1.222 -12.121 -12.780 106 HA ASP 14 HA ASP 14 2.406 -14.683 -13.804 107 1HB ASP 14 2HB ASP 14 0.059 -12.967 -14.638 108 2HB ASP 14 1HB ASP 14 0.728 -14.210 -15.697 109 H VAL 15 H VAL 15 3.524 -14.538 -15.877 110 HA VAL 15 HA VAL 15 5.400 -12.522 -16.226 111 HB VAL 15 HB VAL 15 5.557 -14.577 -17.421 112 1HG1 VAL 15 1HG1 VAL 15 2.787 -13.877 -18.344 113 2HG1 VAL 15 2HG1 VAL 15 3.352 -15.356 -17.565 114 3HG1 VAL 15 3HG1 VAL 15 3.771 -15.029 -19.247 115 1HG2 VAL 15 1HG2 VAL 15 4.947 -12.266 -19.250 116 2HG2 VAL 15 2HG2 VAL 15 5.490 -13.824 -19.867 117 3HG2 VAL 15 3HG2 VAL 15 6.519 -12.903 -18.776 118 H ASP 16 H ASP 16 2.025 -12.534 -17.221 119 HA ASP 16 HA ASP 16 2.330 -9.687 -18.093 120 1HB ASP 16 2HB ASP 16 0.944 -11.977 -19.521 121 2HB ASP 16 1HB ASP 16 0.797 -10.286 -20.000 122 H SER 17 H SER 17 1.336 -10.577 -15.574 123 HA SER 17 HA SER 17 -1.180 -9.234 -15.435 124 1HB SER 17 2HB SER 17 -2.620 -10.858 -16.048 125 2HB SER 17 1HB SER 17 -1.246 -11.873 -16.474 126 HG SER 17 HG SER 17 -2.803 -12.657 -14.807 127 H ILE 18 H ILE 18 -0.901 -8.419 -13.401 128 HA ILE 18 HA ILE 18 -0.174 -10.333 -11.211 129 HB ILE 18 HB ILE 18 0.884 -7.566 -11.842 130 1HG1 ILE 18 2HG1 ILE 18 2.384 -10.139 -11.297 131 2HG1 ILE 18 1HG1 ILE 18 1.858 -9.681 -12.917 132 1HG2 ILE 18 1HG2 ILE 18 2.238 -7.943 -9.708 133 2HG2 ILE 18 2HG2 ILE 18 1.089 -9.224 -9.318 134 3HG2 ILE 18 3HG2 ILE 18 0.532 -7.558 -9.475 135 1HD1 ILE 18 1HD1 ILE 18 4.230 -8.892 -11.685 136 2HD1 ILE 18 2HD1 ILE 18 3.186 -7.477 -11.541 137 3HD1 ILE 18 3HD1 ILE 18 3.520 -8.169 -13.129 138 H LYS 19 H LYS 19 -1.592 -10.223 -9.518 139 HA LYS 19 HA LYS 19 -3.489 -7.908 -9.410 140 1HB LYS 19 2HB LYS 19 -3.780 -10.725 -9.425 141 2HB LYS 19 1HB LYS 19 -4.190 -10.197 -7.792 142 1HG LYS 19 2HG LYS 19 -6.031 -9.017 -8.484 143 2HG LYS 19 1HG LYS 19 -5.298 -8.578 -10.026 144 1HD LYS 19 2HD LYS 19 -6.037 -10.473 -11.072 145 2HD LYS 19 1HD LYS 19 -5.840 -11.467 -9.628 146 1HE LYS 19 2HE LYS 19 -7.861 -10.245 -8.653 147 2HE LYS 19 1HE LYS 19 -8.127 -9.590 -10.281 148 1HZ LYS 19 1HZ LYS 19 -9.268 -11.550 -10.442 149 2HZ LYS 19 2HZ LYS 19 -8.251 -12.372 -9.356 150 3HZ LYS 19 3HZ LYS 19 -7.736 -12.070 -10.948 151 H ILE 20 H ILE 20 -2.784 -6.452 -7.866 152 HA ILE 20 HA ILE 20 -1.689 -7.595 -5.308 153 HB ILE 20 HB ILE 20 -0.189 -5.739 -5.247 154 1HG1 ILE 20 2HG1 ILE 20 -1.746 -4.578 -7.580 155 2HG1 ILE 20 1HG1 ILE 20 -1.892 -4.036 -5.908 156 1HG2 ILE 20 1HG2 ILE 20 -0.492 -6.651 -8.125 157 2HG2 ILE 20 2HG2 ILE 20 0.461 -7.454 -6.876 158 3HG2 ILE 20 3HG2 ILE 20 0.936 -5.859 -7.459 159 1HD1 ILE 20 1HD1 ILE 20 0.348 -3.248 -5.851 160 2HD1 ILE 20 2HD1 ILE 20 -0.290 -2.701 -7.403 161 3HD1 ILE 20 3HD1 ILE 20 0.768 -4.110 -7.331 162 H ALA 21 H ALA 21 -2.275 -6.417 -3.352 163 HA ALA 21 HA ALA 21 -4.582 -4.536 -3.656 164 1HB ALA 21 1HB ALA 21 -4.339 -6.923 -1.807 165 2HB ALA 21 2HB ALA 21 -5.377 -6.826 -3.229 166 3HB ALA 21 3HB ALA 21 -5.694 -5.795 -1.833 167 H TRP 22 H TRP 22 -4.461 -2.782 -2.284 168 HA TRP 22 HA TRP 22 -2.388 -2.881 -0.107 169 1HB TRP 22 2HB TRP 22 -2.050 -0.473 -0.617 170 2HB TRP 22 1HB TRP 22 -1.733 -1.490 -2.023 171 HD1 TRP 22 HD1 TRP 22 -4.175 1.087 -0.662 172 HE1 TRP 22 HE1 TRP 22 -5.754 1.826 -2.568 173 HE3 TRP 22 HE3 TRP 22 -2.843 -2.275 -4.260 174 HZ2 TRP 22 HZ2 TRP 22 -6.358 1.085 -5.261 175 HZ3 TRP 22 HZ3 TRP 22 -3.936 -2.231 -6.481 176 HH2 TRP 22 HH2 TRP 22 -5.689 -0.555 -6.987 177 H GLU 23 H GLU 23 -2.897 -1.593 1.792 178 HA GLU 23 HA GLU 23 -5.388 -1.870 2.946 179 1HB GLU 23 2HB GLU 23 -3.059 -0.827 3.697 180 2HB GLU 23 1HB GLU 23 -3.895 0.691 3.364 181 1HG GLU 23 2HG GLU 23 -5.150 -1.465 5.065 182 2HG GLU 23 1HG GLU 23 -4.086 -0.240 5.757 183 H SER 24 H SER 24 -7.380 -1.179 2.297 184 HA SER 24 HA SER 24 -7.952 0.589 0.183 185 1HB SER 24 2HB SER 24 -10.100 0.078 0.778 186 2HB SER 24 1HB SER 24 -9.317 -1.060 1.868 187 HG SER 24 HG SER 24 -10.830 0.324 2.931 188 HA PRO 25 HA PRO 25 -7.477 4.625 1.821 189 1HB PRO 25 2HB PRO 25 -9.581 5.959 0.694 190 2HB PRO 25 1HB PRO 25 -8.161 5.434 -0.232 191 1HG PRO 25 2HG PRO 25 -10.867 4.222 -0.076 192 2HG PRO 25 1HG PRO 25 -9.753 4.329 -1.447 193 1HD PRO 25 2HD PRO 25 -10.133 2.063 0.079 194 2HD PRO 25 1HD PRO 25 -8.675 2.401 -0.878 195 H GLN 26 H GLN 26 -8.075 5.688 3.713 196 HA GLN 26 HA GLN 26 -10.835 5.221 4.772 197 1HB GLN 26 2HB GLN 26 -8.144 4.701 6.037 198 2HB GLN 26 1HB GLN 26 -9.610 4.866 7.004 199 1HG GLN 26 2HG GLN 26 -10.415 3.128 5.020 200 2HG GLN 26 1HG GLN 26 -8.743 2.637 5.296 201 1HE2 GLN 26 1HE2 GLN 26 -8.709 3.421 8.141 202 2HE2 GLN 26 2HE2 GLN 26 -9.680 2.299 8.965 203 H GLY 27 H GLY 27 -8.325 7.440 4.138 204 1HA GLY 27 2HA GLY 27 -9.471 9.374 6.112 205 2HA GLY 27 1HA GLY 27 -7.803 9.443 5.537 206 H GLN 28 H GLN 28 -11.127 9.448 4.191 207 HA GLN 28 HA GLN 28 -11.961 10.563 2.268 208 1HB GLN 28 2HB GLN 28 -10.700 12.324 4.182 209 2HB GLN 28 1HB GLN 28 -10.558 13.002 2.560 210 1HG GLN 28 2HG GLN 28 -12.905 12.985 2.224 211 2HG GLN 28 1HG GLN 28 -13.171 11.899 3.589 212 1HE2 GLN 28 1HE2 GLN 28 -11.791 13.075 5.666 213 2HE2 GLN 28 2HE2 GLN 28 -12.370 14.643 5.964 214 H VAL 29 H VAL 29 -11.027 9.456 0.507 215 HA VAL 29 HA VAL 29 -8.482 10.629 -0.570 216 HB VAL 29 HB VAL 29 -9.384 7.897 0.033 217 1HG1 VAL 29 1HG1 VAL 29 -8.387 8.540 -2.748 218 2HG1 VAL 29 2HG1 VAL 29 -9.753 7.526 -2.282 219 3HG1 VAL 29 3HG1 VAL 29 -8.104 6.962 -2.010 220 1HG2 VAL 29 1HG2 VAL 29 -6.790 7.636 -0.450 221 2HG2 VAL 29 2HG2 VAL 29 -7.356 8.463 1.001 222 3HG2 VAL 29 3HG2 VAL 29 -6.830 9.398 -0.398 223 H SER 30 H SER 30 -8.663 11.491 -2.612 224 HA SER 30 HA SER 30 -11.256 11.219 -4.035 225 1HB SER 30 2HB SER 30 -10.151 13.421 -3.518 226 2HB SER 30 1HB SER 30 -8.834 12.960 -4.592 227 HG SER 30 HG SER 30 -10.365 14.176 -5.720 228 H ARG 31 H ARG 31 -7.884 10.287 -4.293 229 HA ARG 31 HA ARG 31 -8.397 8.324 -6.327 230 1HB ARG 31 2HB ARG 31 -8.687 10.456 -7.616 231 2HB ARG 31 1HB ARG 31 -7.009 10.855 -7.246 232 1HG ARG 31 2HG ARG 31 -6.219 8.880 -8.418 233 2HG ARG 31 1HG ARG 31 -7.874 8.323 -8.668 234 1HD ARG 31 2HD ARG 31 -7.379 9.350 -10.731 235 2HD ARG 31 1HD ARG 31 -8.173 10.671 -9.848 236 HE ARG 31 HE ARG 31 -5.422 10.734 -9.166 237 1HH1 ARG 31 1HH1 ARG 31 -6.364 10.232 -12.294 238 2HH1 ARG 31 2HH1 ARG 31 -5.814 11.753 -12.916 239 1HH2 ARG 31 1HH2 ARG 31 -5.186 13.110 -9.785 240 2HH2 ARG 31 2HH2 ARG 31 -5.148 13.382 -11.496 241 H TYR 32 H TYR 32 -6.340 7.296 -7.072 242 HA TYR 32 HA TYR 32 -3.979 7.972 -5.365 243 1HB TYR 32 2HB TYR 32 -3.780 5.588 -4.818 244 2HB TYR 32 1HB TYR 32 -5.377 6.173 -4.350 245 HD1 TYR 32 HD1 TYR 32 -3.589 3.723 -6.233 246 HD2 TYR 32 HD2 TYR 32 -7.281 5.910 -6.114 247 HE1 TYR 32 HE1 TYR 32 -4.643 2.021 -7.697 248 HE2 TYR 32 HE2 TYR 32 -8.335 4.210 -7.579 249 HH TYR 32 HH TYR 32 -7.913 2.466 -8.958 250 H ARG 33 H ARG 33 -2.126 7.998 -6.577 251 HA ARG 33 HA ARG 33 -2.252 7.124 -9.393 252 1HB ARG 33 2HB ARG 33 -0.778 8.989 -7.706 253 2HB ARG 33 1HB ARG 33 0.301 8.085 -8.768 254 1HG ARG 33 2HG ARG 33 -0.854 8.802 -10.724 255 2HG ARG 33 1HG ARG 33 -2.223 9.398 -9.786 256 1HD ARG 33 2HD ARG 33 -0.711 11.112 -8.744 257 2HD ARG 33 1HD ARG 33 0.577 10.572 -9.839 258 HE ARG 33 HE ARG 33 -1.693 11.016 -11.446 259 1HH1 ARG 33 1HH1 ARG 33 -2.189 13.308 -9.616 260 2HH1 ARG 33 2HH1 ARG 33 -1.248 14.571 -10.337 261 1HH2 ARG 33 1HH2 ARG 33 0.645 12.416 -12.281 262 2HH2 ARG 33 2HH2 ARG 33 0.354 14.066 -11.845 263 H VAL 34 H VAL 34 -1.726 5.020 -9.851 264 HA VAL 34 HA VAL 34 0.072 3.519 -8.016 265 HB VAL 34 HB VAL 34 -1.675 2.755 -10.379 266 1HG1 VAL 34 1HG1 VAL 34 -0.001 1.058 -8.505 267 2HG1 VAL 34 2HG1 VAL 34 0.182 1.201 -10.254 268 3HG1 VAL 34 3HG1 VAL 34 -1.242 0.410 -9.577 269 1HG2 VAL 34 1HG2 VAL 34 -2.987 3.382 -8.441 270 2HG2 VAL 34 2HG2 VAL 34 -1.954 2.431 -7.375 271 3HG2 VAL 34 3HG2 VAL 34 -2.995 1.621 -8.546 272 H THR 35 H THR 35 2.130 4.402 -8.608 273 HA THR 35 HA THR 35 2.926 4.404 -11.454 274 HB THR 35 HB THR 35 5.124 5.107 -10.003 275 HG1 THR 35 HG1 THR 35 4.532 5.942 -8.108 276 1HG2 THR 35 1HG2 THR 35 4.115 7.476 -10.136 277 2HG2 THR 35 2HG2 THR 35 2.706 6.693 -10.850 278 3HG2 THR 35 3HG2 THR 35 4.274 6.578 -11.646 279 H TYR 36 H TYR 36 4.599 3.105 -12.296 280 HA TYR 36 HA TYR 36 5.904 1.078 -10.578 281 1HB TYR 36 2HB TYR 36 5.054 -0.680 -12.329 282 2HB TYR 36 1HB TYR 36 3.958 -0.165 -11.052 283 HD1 TYR 36 HD1 TYR 36 5.024 0.975 -14.473 284 HD2 TYR 36 HD2 TYR 36 1.802 0.425 -11.684 285 HE1 TYR 36 HE1 TYR 36 3.411 1.777 -16.177 286 HE2 TYR 36 HE2 TYR 36 0.190 1.231 -13.389 287 HH TYR 36 HH TYR 36 0.265 1.254 -16.121 288 H SER 37 H SER 37 7.738 0.062 -11.720 289 HA SER 37 HA SER 37 8.404 1.378 -14.318 290 1HB SER 37 2HB SER 37 10.614 0.978 -12.416 291 2HB SER 37 1HB SER 37 10.251 2.369 -13.434 292 HG SER 37 HG SER 37 9.925 2.318 -10.926 293 H SER 38 H SER 38 10.188 0.319 -15.478 294 HA SER 38 HA SER 38 10.590 -2.557 -14.778 295 1HB SER 38 2HB SER 38 8.849 -1.516 -16.708 296 2HB SER 38 1HB SER 38 10.258 -2.050 -17.622 297 HG SER 38 HG SER 38 9.409 -3.960 -17.378 298 HA PRO 39 HA PRO 39 14.610 -1.867 -16.440 299 1HB PRO 39 2HB PRO 39 15.132 -4.102 -17.913 300 2HB PRO 39 1HB PRO 39 15.017 -4.117 -16.143 301 1HG PRO 39 2HG PRO 39 13.109 -5.111 -18.158 302 2HG PRO 39 1HG PRO 39 13.344 -5.612 -16.479 303 1HD PRO 39 2HD PRO 39 11.303 -3.921 -17.479 304 2HD PRO 39 1HD PRO 39 11.671 -4.261 -15.776 305 H GLU 40 H GLU 40 12.252 -0.998 -18.289 306 HA GLU 40 HA GLU 40 13.951 -0.505 -20.664 307 1HB GLU 40 2HB GLU 40 11.797 -2.438 -20.470 308 2HB GLU 40 1HB GLU 40 11.447 -1.227 -21.705 309 1HG GLU 40 2HG GLU 40 14.229 -2.057 -21.813 310 2HG GLU 40 1HG GLU 40 13.144 -3.437 -21.982 311 H ASP 41 H ASP 41 10.432 -0.229 -20.462 312 HA ASP 41 HA ASP 41 10.338 2.464 -21.364 313 1HB ASP 41 2HB ASP 41 8.585 0.409 -20.807 314 2HB ASP 41 1HB ASP 41 8.174 1.596 -19.568 315 H GLY 42 H GLY 42 11.177 1.206 -18.285 316 1HA GLY 42 2HA GLY 42 11.992 2.422 -16.426 317 2HA GLY 42 1HA GLY 42 11.506 3.914 -17.228 318 H ILE 43 H ILE 43 10.436 4.741 -15.351 319 HA ILE 43 HA ILE 43 8.212 3.153 -14.211 320 HB ILE 43 HB ILE 43 9.950 4.456 -12.889 321 1HG1 ILE 43 2HG1 ILE 43 7.092 5.349 -12.404 322 2HG1 ILE 43 1HG1 ILE 43 7.656 3.715 -12.048 323 1HG2 ILE 43 1HG2 ILE 43 9.257 6.472 -14.648 324 2HG2 ILE 43 2HG2 ILE 43 10.148 6.694 -13.143 325 3HG2 ILE 43 3HG2 ILE 43 8.402 6.928 -13.175 326 1HD1 ILE 43 1HD1 ILE 43 8.332 4.495 -10.041 327 2HD1 ILE 43 2HD1 ILE 43 8.057 6.167 -10.532 328 3HD1 ILE 43 3HD1 ILE 43 9.591 5.379 -10.903 329 H HIS 44 H HIS 44 6.056 3.962 -14.122 330 HA HIS 44 HA HIS 44 5.392 6.251 -15.913 331 1HB HIS 44 2HB HIS 44 4.929 3.395 -16.337 332 2HB HIS 44 1HB HIS 44 3.428 4.320 -16.389 333 HD1 HIS 44 HD1 HIS 44 6.798 4.058 -18.074 334 HD2 HIS 44 HD2 HIS 44 3.178 6.060 -18.598 335 HE1 HIS 44 HE1 HIS 44 6.912 5.167 -20.352 336 H GLU 45 H GLU 45 2.943 6.787 -15.585 337 HA GLU 45 HA GLU 45 2.258 6.335 -12.699 338 1HB GLU 45 2HB GLU 45 2.286 8.700 -14.521 339 2HB GLU 45 1HB GLU 45 1.067 8.656 -13.247 340 1HG GLU 45 2HG GLU 45 2.712 8.528 -11.529 341 2HG GLU 45 1HG GLU 45 3.992 8.145 -12.681 342 H LEU 46 H LEU 46 0.523 4.948 -12.619 343 HA LEU 46 HA LEU 46 -1.577 5.112 -14.738 344 1HB LEU 46 2HB LEU 46 -0.372 2.960 -13.954 345 2HB LEU 46 1HB LEU 46 -1.333 3.111 -12.483 346 HG LEU 46 HG LEU 46 -3.278 3.446 -14.336 347 1HD1 LEU 46 1HD1 LEU 46 -1.209 2.832 -15.968 348 2HD1 LEU 46 2HD1 LEU 46 -2.879 2.399 -16.333 349 3HD1 LEU 46 3HD1 LEU 46 -1.797 1.208 -15.610 350 1HD2 LEU 46 1HD2 LEU 46 -2.134 0.934 -13.104 351 2HD2 LEU 46 2HD2 LEU 46 -3.614 0.900 -14.062 352 3HD2 LEU 46 3HD2 LEU 46 -3.541 1.861 -12.586 353 H PHE 47 H PHE 47 -3.810 5.483 -14.085 354 HA PHE 47 HA PHE 47 -4.237 6.195 -11.219 355 1HB PHE 47 2HB PHE 47 -5.204 8.382 -11.974 356 2HB PHE 47 1HB PHE 47 -3.477 8.230 -12.302 357 HD1 PHE 47 HD1 PHE 47 -6.676 8.922 -13.719 358 HD2 PHE 47 HD2 PHE 47 -2.816 7.281 -14.645 359 HE1 PHE 47 HE1 PHE 47 -7.098 9.291 -16.135 360 HE2 PHE 47 HE2 PHE 47 -3.241 7.650 -17.061 361 HZ PHE 47 HZ PHE 47 -5.381 8.653 -17.805 362 HA PRO 48 HA PRO 48 -7.937 4.253 -13.207 363 1HB PRO 48 2HB PRO 48 -8.003 1.972 -11.711 364 2HB PRO 48 1HB PRO 48 -7.086 2.099 -13.224 365 1HG PRO 48 2HG PRO 48 -6.120 2.145 -10.427 366 2HG PRO 48 1HG PRO 48 -5.322 1.550 -11.891 367 1HD PRO 48 2HD PRO 48 -4.806 3.992 -10.631 368 2HD PRO 48 1HD PRO 48 -4.337 3.559 -12.289 369 H ALA 49 H ALA 49 -8.739 6.166 -11.943 370 HA ALA 49 HA ALA 49 -9.185 6.741 -9.372 371 1HB ALA 49 1HB ALA 49 -11.173 6.494 -11.622 372 2HB ALA 49 2HB ALA 49 -10.353 7.942 -11.035 373 3HB ALA 49 3HB ALA 49 -11.630 7.199 -10.070 374 HA PRO 50 HA PRO 50 -10.794 3.145 -7.372 375 1HB PRO 50 2HB PRO 50 -11.364 4.291 -4.966 376 2HB PRO 50 1HB PRO 50 -9.710 3.902 -5.482 377 1HG PRO 50 2HG PRO 50 -11.105 6.524 -5.423 378 2HG PRO 50 1HG PRO 50 -9.400 6.143 -5.138 379 1HD PRO 50 2HD PRO 50 -10.410 7.206 -7.491 380 2HD PRO 50 1HD PRO 50 -8.867 6.337 -7.347 381 H ASP 51 H ASP 51 -12.810 3.176 -5.490 382 HA ASP 51 HA ASP 51 -15.125 4.690 -6.466 383 1HB ASP 51 2HB ASP 51 -14.354 2.287 -7.717 384 2HB ASP 51 1HB ASP 51 -15.728 1.863 -6.695 385 H GLY 52 H GLY 52 -13.873 1.993 -4.512 386 1HA GLY 52 2HA GLY 52 -14.706 2.738 -2.023 387 2HA GLY 52 1HA GLY 52 -16.185 2.059 -2.706 388 H GLU 53 H GLU 53 -15.286 -0.100 -4.141 389 HA GLU 53 HA GLU 53 -14.099 -1.813 -2.007 390 1HB GLU 53 2HB GLU 53 -16.168 -2.117 -4.129 391 2HB GLU 53 1HB GLU 53 -15.218 -3.548 -3.726 392 1HG GLU 53 2HG GLU 53 -15.745 -2.980 -1.265 393 2HG GLU 53 1HG GLU 53 -16.988 -1.909 -1.913 394 H GLU 54 H GLU 54 -13.161 -0.239 -4.748 395 HA GLU 54 HA GLU 54 -11.571 -2.432 -5.933 396 1HB GLU 54 2HB GLU 54 -11.900 0.526 -6.517 397 2HB GLU 54 1HB GLU 54 -10.923 -0.570 -7.496 398 1HG GLU 54 2HG GLU 54 -13.158 -2.009 -7.495 399 2HG GLU 54 1HG GLU 54 -13.895 -0.433 -7.199 400 H ASP 55 H ASP 55 -10.501 -2.515 -3.606 401 HA ASP 55 HA ASP 55 -8.414 -0.434 -3.227 402 1HB ASP 55 2HB ASP 55 -8.075 -1.757 -1.104 403 2HB ASP 55 1HB ASP 55 -9.718 -1.151 -1.310 404 H THR 56 H THR 56 -8.431 -2.612 -5.426 405 HA THR 56 HA THR 56 -5.682 -3.652 -4.837 406 HB THR 56 HB THR 56 -6.439 -5.738 -6.017 407 HG1 THR 56 HG1 THR 56 -8.280 -5.671 -6.988 408 1HG2 THR 56 1HG2 THR 56 -8.418 -5.344 -3.832 409 2HG2 THR 56 2HG2 THR 56 -6.721 -5.083 -3.425 410 3HG2 THR 56 3HG2 THR 56 -7.246 -6.640 -4.068 411 H ALA 57 H ALA 57 -4.682 -4.461 -7.042 412 HA ALA 57 HA ALA 57 -5.450 -2.525 -9.203 413 1HB ALA 57 1HB ALA 57 -2.781 -2.925 -9.550 414 2HB ALA 57 2HB ALA 57 -2.913 -3.129 -7.803 415 3HB ALA 57 3HB ALA 57 -3.450 -1.628 -8.560 416 H GLU 58 H GLU 58 -5.804 -3.438 -11.173 417 HA GLU 58 HA GLU 58 -5.143 -6.324 -11.578 418 1HB GLU 58 2HB GLU 58 -6.980 -4.333 -12.948 419 2HB GLU 58 1HB GLU 58 -6.773 -6.000 -13.488 420 1HG GLU 58 2HG GLU 58 -8.512 -6.418 -12.073 421 2HG GLU 58 1HG GLU 58 -7.258 -6.386 -10.832 422 H LEU 59 H LEU 59 -2.816 -5.649 -11.905 423 HA LEU 59 HA LEU 59 -2.147 -4.046 -14.255 424 1HB LEU 59 2HB LEU 59 -0.540 -5.788 -12.360 425 2HB LEU 59 1HB LEU 59 0.163 -4.716 -13.573 426 HG LEU 59 HG LEU 59 -1.424 -3.972 -11.114 427 1HD1 LEU 59 1HD1 LEU 59 0.516 -2.486 -10.759 428 2HD1 LEU 59 2HD1 LEU 59 1.221 -3.053 -12.271 429 3HD1 LEU 59 3HD1 LEU 59 1.024 -4.168 -10.920 430 1HD2 LEU 59 1HD2 LEU 59 -2.425 -2.707 -12.948 431 2HD2 LEU 59 2HD2 LEU 59 -0.830 -2.267 -13.558 432 3HD2 LEU 59 3HD2 LEU 59 -1.390 -1.627 -12.013 433 H GLN 60 H GLN 60 -3.219 -5.267 -15.903 434 HA GLN 60 HA GLN 60 -2.144 -7.997 -16.390 435 1HB GLN 60 2HB GLN 60 -4.462 -6.548 -17.666 436 2HB GLN 60 1HB GLN 60 -4.169 -8.285 -17.637 437 1HG GLN 60 2HG GLN 60 -4.467 -8.322 -15.196 438 2HG GLN 60 1HG GLN 60 -4.701 -6.572 -15.188 439 1HE2 GLN 60 1HE2 GLN 60 -6.726 -5.732 -15.992 440 2HE2 GLN 60 2HE2 GLN 60 -8.054 -6.741 -16.316 441 H GLY 61 H GLY 61 -0.453 -8.055 -17.815 442 1HA GLY 61 2HA GLY 61 0.337 -7.814 -20.115 443 2HA GLY 61 1HA GLY 61 -0.580 -6.309 -20.229 444 H LEU 62 H LEU 62 2.254 -7.781 -18.641 445 HA LEU 62 HA LEU 62 3.446 -5.026 -18.461 446 1HB LEU 62 2HB LEU 62 4.006 -7.317 -16.572 447 2HB LEU 62 1HB LEU 62 4.298 -5.598 -16.314 448 HG LEU 62 HG LEU 62 1.537 -6.793 -16.658 449 1HD1 LEU 62 1HD1 LEU 62 3.252 -6.347 -14.235 450 2HD1 LEU 62 2HD1 LEU 62 2.210 -7.716 -14.623 451 3HD1 LEU 62 3HD1 LEU 62 1.500 -6.185 -14.110 452 1HD2 LEU 62 1HD2 LEU 62 0.729 -4.661 -16.132 453 2HD2 LEU 62 2HD2 LEU 62 2.155 -4.271 -17.095 454 3HD2 LEU 62 3HD2 LEU 62 2.228 -4.181 -15.335 455 H ARG 63 H ARG 63 5.967 -6.068 -17.490 456 HA ARG 63 HA ARG 63 7.117 -6.976 -20.050 457 1HB ARG 63 2HB ARG 63 7.919 -5.584 -17.621 458 2HB ARG 63 1HB ARG 63 9.093 -6.825 -18.067 459 1HG ARG 63 2HG ARG 63 9.550 -4.598 -19.133 460 2HG ARG 63 1HG ARG 63 9.308 -5.897 -20.303 461 1HD ARG 63 2HD ARG 63 7.949 -4.156 -21.160 462 2HD ARG 63 1HD ARG 63 6.789 -5.129 -20.234 463 HE ARG 63 HE ARG 63 7.850 -3.354 -18.370 464 1HH1 ARG 63 1HH1 ARG 63 8.092 -1.485 -20.715 465 2HH1 ARG 63 2HH1 ARG 63 6.554 -0.686 -20.693 466 1HH2 ARG 63 1HH2 ARG 63 5.063 -3.045 -18.638 467 2HH2 ARG 63 2HH2 ARG 63 4.840 -1.570 -19.516 468 HA PRO 64 HA PRO 64 7.137 -11.167 -18.674 469 1HB PRO 64 2HB PRO 64 8.554 -12.217 -20.755 470 2HB PRO 64 1HB PRO 64 6.854 -11.729 -20.888 471 1HG PRO 64 2HG PRO 64 9.291 -10.361 -21.866 472 2HG PRO 64 1HG PRO 64 7.649 -10.361 -22.527 473 1HD PRO 64 2HD PRO 64 8.803 -8.308 -21.019 474 2HD PRO 64 1HD PRO 64 7.069 -8.511 -21.350 475 H GLY 65 H GLY 65 8.461 -11.622 -16.937 476 1HA GLY 65 2HA GLY 65 10.404 -12.367 -15.841 477 2HA GLY 65 1HA GLY 65 11.222 -12.370 -17.402 478 H SER 66 H SER 66 9.979 -10.040 -14.969 479 HA SER 66 HA SER 66 12.564 -8.635 -15.036 480 1HB SER 66 2HB SER 66 9.997 -7.440 -16.104 481 2HB SER 66 1HB SER 66 11.444 -6.497 -15.757 482 HG SER 66 HG SER 66 11.716 -7.038 -17.830 483 H GLU 67 H GLU 67 12.910 -7.701 -13.036 484 HA GLU 67 HA GLU 67 11.089 -8.074 -10.869 485 1HB GLU 67 2HB GLU 67 13.629 -7.671 -10.891 486 2HB GLU 67 1HB GLU 67 13.245 -5.957 -11.073 487 1HG GLU 67 2HG GLU 67 12.533 -5.754 -8.914 488 2HG GLU 67 1HG GLU 67 11.755 -7.339 -8.924 489 H TYR 68 H TYR 68 9.052 -7.200 -11.544 490 HA TYR 68 HA TYR 68 8.719 -4.525 -12.525 491 1HB TYR 68 2HB TYR 68 7.209 -6.572 -12.711 492 2HB TYR 68 1HB TYR 68 6.729 -6.251 -11.045 493 HD1 TYR 68 HD1 TYR 68 4.458 -5.659 -11.377 494 HD2 TYR 68 HD2 TYR 68 7.540 -3.678 -13.617 495 HE1 TYR 68 HE1 TYR 68 2.813 -3.980 -12.155 496 HE2 TYR 68 HE2 TYR 68 5.895 -1.993 -14.392 497 HH TYR 68 HH TYR 68 2.452 -2.315 -13.652 498 H THR 69 H THR 69 9.296 -2.782 -11.292 499 HA THR 69 HA THR 69 8.940 -2.866 -8.341 500 HB THR 69 HB THR 69 9.984 -0.481 -9.785 501 HG1 THR 69 HG1 THR 69 11.745 -1.484 -10.527 502 1HG2 THR 69 1HG2 THR 69 10.998 -2.171 -7.482 503 2HG2 THR 69 2HG2 THR 69 10.083 -0.671 -7.336 504 3HG2 THR 69 3HG2 THR 69 11.708 -0.648 -8.021 505 H VAL 70 H VAL 70 6.695 -2.559 -8.024 506 HA VAL 70 HA VAL 70 5.415 -0.223 -9.361 507 HB VAL 70 HB VAL 70 4.246 -2.475 -7.715 508 1HG1 VAL 70 1HG1 VAL 70 2.245 -1.762 -9.273 509 2HG1 VAL 70 2HG1 VAL 70 3.133 -0.243 -9.387 510 3HG1 VAL 70 3HG1 VAL 70 2.594 -0.832 -7.816 511 1HG2 VAL 70 1HG2 VAL 70 5.230 -2.339 -10.491 512 2HG2 VAL 70 2HG2 VAL 70 3.582 -2.947 -10.345 513 3HG2 VAL 70 3HG2 VAL 70 4.898 -3.749 -9.484 514 H SER 71 H SER 71 4.383 1.399 -8.111 515 HA SER 71 HA SER 71 4.889 1.316 -5.160 516 1HB SER 71 2HB SER 71 5.039 3.894 -6.642 517 2HB SER 71 1HB SER 71 5.973 3.352 -5.251 518 HG SER 71 HG SER 71 6.851 3.433 -7.628 519 H VAL 72 H VAL 72 2.998 1.651 -4.052 520 HA VAL 72 HA VAL 72 0.628 2.687 -5.522 521 HB VAL 72 HB VAL 72 1.027 1.389 -2.810 522 1HG1 VAL 72 1HG1 VAL 72 -1.583 1.809 -4.272 523 2HG1 VAL 72 2HG1 VAL 72 -0.981 2.960 -3.079 524 3HG1 VAL 72 3HG1 VAL 72 -1.343 1.301 -2.600 525 1HG2 VAL 72 1HG2 VAL 72 -0.347 0.219 -5.229 526 2HG2 VAL 72 2HG2 VAL 72 0.303 -0.621 -3.821 527 3HG2 VAL 72 3HG2 VAL 72 1.398 0.074 -5.017 528 H VAL 73 H VAL 73 0.105 4.834 -5.312 529 HA VAL 73 HA VAL 73 0.881 6.216 -2.762 530 HB VAL 73 HB VAL 73 1.004 7.198 -5.627 531 1HG1 VAL 73 1HG1 VAL 73 1.681 9.288 -4.813 532 2HG1 VAL 73 2HG1 VAL 73 2.104 8.643 -3.228 533 3HG1 VAL 73 3HG1 VAL 73 0.409 8.840 -3.676 534 1HG2 VAL 73 1HG2 VAL 73 3.391 7.132 -3.873 535 2HG2 VAL 73 2HG2 VAL 73 3.247 6.749 -5.588 536 3HG2 VAL 73 3HG2 VAL 73 2.775 5.559 -4.374 537 H ALA 74 H ALA 74 -0.794 7.308 -1.802 538 HA ALA 74 HA ALA 74 -3.415 7.411 -3.186 539 1HB ALA 74 1HB ALA 74 -2.992 6.601 -0.804 540 2HB ALA 74 2HB ALA 74 -4.250 7.827 -0.964 541 3HB ALA 74 3HB ALA 74 -2.647 8.279 -0.386 542 H LEU 75 H LEU 75 -4.672 9.582 -2.795 543 HA LEU 75 HA LEU 75 -2.800 11.909 -3.056 544 1HB LEU 75 2HB LEU 75 -5.250 11.324 -4.739 545 2HB LEU 75 1HB LEU 75 -4.124 12.661 -4.960 546 HG LEU 75 HG LEU 75 -3.212 9.787 -5.016 547 1HD1 LEU 75 1HD1 LEU 75 -3.206 10.567 -7.631 548 2HD1 LEU 75 2HD1 LEU 75 -4.677 11.350 -7.054 549 3HD1 LEU 75 3HD1 LEU 75 -4.487 9.603 -6.896 550 1HD2 LEU 75 1HD2 LEU 75 -1.529 11.575 -4.667 551 2HD2 LEU 75 2HD2 LEU 75 -2.078 12.365 -6.145 552 3HD2 LEU 75 3HD2 LEU 75 -1.312 10.779 -6.227 553 H HIS 76 H HIS 76 -4.410 13.968 -3.235 554 HA HIS 76 HA HIS 76 -6.869 14.069 -1.847 555 1HB HIS 76 2HB HIS 76 -5.801 13.165 0.083 556 2HB HIS 76 1HB HIS 76 -4.364 14.160 -0.154 557 HD1 HIS 76 HD1 HIS 76 -4.289 16.290 1.152 558 HD2 HIS 76 HD2 HIS 76 -8.192 14.885 0.730 559 HE1 HIS 76 HE1 HIS 76 -5.764 17.855 2.493 560 H ASP 77 H ASP 77 -6.944 15.715 -3.576 561 HA ASP 77 HA ASP 77 -6.958 18.005 -4.205 562 1HB ASP 77 2HB ASP 77 -6.761 17.919 -1.434 563 2HB ASP 77 1HB ASP 77 -5.395 18.932 -1.901 564 H ASP 78 H ASP 78 -3.897 17.273 -2.471 565 HA ASP 78 HA ASP 78 -2.301 17.338 -4.874 566 1HB ASP 78 2HB ASP 78 -3.106 19.756 -4.434 567 2HB ASP 78 1HB ASP 78 -1.989 19.737 -3.066 568 H MET 79 H MET 79 -2.427 15.539 -2.744 569 HA MET 79 HA MET 79 -0.006 16.099 -1.084 570 1HB MET 79 2HB MET 79 -2.620 14.939 -0.688 571 2HB MET 79 1HB MET 79 -1.375 13.762 -0.262 572 1HG MET 79 2HG MET 79 -1.917 15.125 1.692 573 2HG MET 79 1HG MET 79 -0.275 15.483 1.157 574 1HE MET 79 1HE MET 79 -1.480 18.800 2.559 575 2HE MET 79 2HE MET 79 0.059 18.141 2.013 576 3HE MET 79 3HE MET 79 -1.023 17.142 2.981 577 H GLU 80 H GLU 80 1.695 14.586 -1.054 578 HA GLU 80 HA GLU 80 1.622 12.493 -3.196 579 1HB GLU 80 2HB GLU 80 3.537 14.508 -2.287 580 2HB GLU 80 1HB GLU 80 4.258 12.899 -2.353 581 1HG GLU 80 2HG GLU 80 3.501 12.628 -4.672 582 2HG GLU 80 1HG GLU 80 2.724 14.211 -4.617 583 H SER 81 H SER 81 0.330 11.660 -1.024 584 HA SER 81 HA SER 81 1.304 10.744 1.323 585 1HB SER 81 2HB SER 81 -0.830 10.165 -0.022 586 2HB SER 81 1HB SER 81 0.086 8.786 -0.620 587 HG SER 81 HG SER 81 0.124 7.939 1.358 588 H GLN 82 H GLN 82 2.802 9.260 2.114 589 HA GLN 82 HA GLN 82 5.163 8.625 0.852 590 1HB GLN 82 2HB GLN 82 3.499 7.111 2.873 591 2HB GLN 82 1HB GLN 82 5.145 6.628 2.461 592 1HG GLN 82 2HG GLN 82 5.843 8.102 4.020 593 2HG GLN 82 1HG GLN 82 5.342 9.374 2.904 594 1HE2 GLN 82 1HE2 GLN 82 3.521 10.634 3.480 595 2HE2 GLN 82 2HE2 GLN 82 2.583 10.355 4.867 596 HA PRO 83 HA PRO 83 3.677 5.972 -2.412 597 1HB PRO 83 2HB PRO 83 6.139 5.489 -3.515 598 2HB PRO 83 1HB PRO 83 5.223 6.985 -3.791 599 1HG PRO 83 2HG PRO 83 7.478 6.475 -1.910 600 2HG PRO 83 1HG PRO 83 7.153 7.891 -2.923 601 1HD PRO 83 2HD PRO 83 6.612 7.842 -0.264 602 2HD PRO 83 1HD PRO 83 5.652 8.789 -1.425 603 H LEU 84 H LEU 84 3.086 3.942 -1.728 604 HA LEU 84 HA LEU 84 4.851 2.255 -0.105 605 1HB LEU 84 2HB LEU 84 2.457 2.274 0.279 606 2HB LEU 84 1HB LEU 84 2.138 1.916 -1.417 607 HG LEU 84 HG LEU 84 3.193 -0.285 -1.182 608 1HD1 LEU 84 1HD1 LEU 84 3.359 -0.389 1.699 609 2HD1 LEU 84 2HD1 LEU 84 4.379 0.914 1.089 610 3HD1 LEU 84 3HD1 LEU 84 4.613 -0.734 0.508 611 1HD2 LEU 84 1HD2 LEU 84 0.986 -0.683 -0.714 612 2HD2 LEU 84 2HD2 LEU 84 0.914 0.588 0.509 613 3HD2 LEU 84 3HD2 LEU 84 1.597 -0.987 0.913 614 H ILE 85 H ILE 85 6.421 0.971 -1.036 615 HA ILE 85 HA ILE 85 6.480 0.538 -3.934 616 HB ILE 85 HB ILE 85 8.207 -0.130 -1.557 617 1HG1 ILE 85 2HG1 ILE 85 8.058 2.179 -2.728 618 2HG1 ILE 85 1HG1 ILE 85 9.663 1.500 -2.471 619 1HG2 ILE 85 1HG2 ILE 85 8.435 -1.144 -4.394 620 2HG2 ILE 85 2HG2 ILE 85 8.606 -2.044 -2.885 621 3HG2 ILE 85 3HG2 ILE 85 9.869 -0.923 -3.391 622 1HD1 ILE 85 1HD1 ILE 85 8.068 1.291 -5.044 623 2HD1 ILE 85 2HD1 ILE 85 9.686 0.642 -4.781 624 3HD1 ILE 85 3HD1 ILE 85 9.425 2.386 -4.771 625 H GLY 86 H GLY 86 6.255 -1.431 -5.004 626 1HA GLY 86 2HA GLY 86 5.563 -3.859 -3.441 627 2HA GLY 86 1HA GLY 86 4.394 -3.282 -4.635 628 H THR 87 H THR 87 7.769 -4.339 -4.287 629 HA THR 87 HA THR 87 8.093 -4.655 -7.197 630 HB THR 87 HB THR 87 10.002 -5.772 -5.194 631 HG1 THR 87 HG1 THR 87 9.366 -3.029 -5.501 632 1HG2 THR 87 1HG2 THR 87 10.470 -5.679 -7.638 633 2HG2 THR 87 2HG2 THR 87 11.629 -4.751 -6.687 634 3HG2 THR 87 3HG2 THR 87 10.344 -3.922 -7.565 635 H GLN 88 H GLN 88 8.742 -6.759 -8.122 636 HA GLN 88 HA GLN 88 8.471 -9.265 -6.784 637 1HB GLN 88 2HB GLN 88 6.045 -7.864 -7.261 638 2HB GLN 88 1HB GLN 88 6.085 -9.211 -8.399 639 1HG GLN 88 2HG GLN 88 6.371 -9.351 -5.386 640 2HG GLN 88 1HG GLN 88 5.071 -10.027 -6.368 641 1HE2 GLN 88 1HE2 GLN 88 5.737 -11.810 -7.931 642 2HE2 GLN 88 2HE2 GLN 88 7.037 -12.814 -7.504 643 H SER 89 H SER 89 9.418 -10.742 -8.150 644 HA SER 89 HA SER 89 10.201 -9.977 -10.833 645 1HB SER 89 2HB SER 89 10.945 -12.460 -10.765 646 2HB SER 89 1HB SER 89 11.668 -11.359 -9.598 647 HG SER 89 HG SER 89 9.439 -13.077 -9.177 648 H THR 90 H THR 90 8.933 -10.158 -12.638 649 HA THR 90 HA THR 90 6.373 -11.560 -12.572 650 HB THR 90 HB THR 90 7.425 -10.798 -15.195 651 HG1 THR 90 HG1 THR 90 7.256 -8.755 -13.252 652 1HG2 THR 90 1HG2 THR 90 5.217 -9.596 -13.508 653 2HG2 THR 90 2HG2 THR 90 5.018 -11.026 -14.520 654 3HG2 THR 90 3HG2 THR 90 5.403 -9.472 -15.257 655 H ALA 91 H ALA 91 5.914 -13.590 -13.420 656 HA ALA 91 HA ALA 91 8.083 -15.439 -13.919 657 1HB ALA 91 1HB ALA 91 5.152 -15.754 -14.591 658 2HB ALA 91 2HB ALA 91 5.759 -15.850 -12.938 659 3HB ALA 91 3HB ALA 91 6.296 -17.019 -14.146 660 H ILE 92 H ILE 92 7.582 -16.916 -16.086 661 HA ILE 92 HA ILE 92 7.426 -14.994 -18.374 662 HB ILE 92 HB ILE 92 9.315 -16.145 -19.367 663 1HG1 ILE 92 2HG1 ILE 92 8.546 -18.399 -18.288 664 2HG1 ILE 92 1HG1 ILE 92 10.272 -18.129 -18.519 665 1HG2 ILE 92 1HG2 ILE 92 11.054 -15.701 -17.620 666 2HG2 ILE 92 2HG2 ILE 92 9.760 -15.498 -16.438 667 3HG2 ILE 92 3HG2 ILE 92 9.896 -14.382 -17.797 668 1HD1 ILE 92 1HD1 ILE 92 9.423 -17.049 -15.966 669 2HD1 ILE 92 2HD1 ILE 92 10.645 -18.272 -16.300 670 3HD1 ILE 92 3HD1 ILE 92 8.958 -18.743 -16.099 671 HA PRO 93 HA PRO 93 5.306 -19.245 -19.197 672 1HB PRO 93 2HB PRO 93 2.867 -19.136 -17.993 673 2HB PRO 93 1HB PRO 93 4.291 -19.859 -17.222 674 1HG PRO 93 2HG PRO 93 3.050 -17.193 -16.780 675 2HG PRO 93 1HG PRO 93 3.802 -18.297 -15.616 676 1HD PRO 93 2HD PRO 93 5.032 -16.074 -16.633 677 2HD PRO 93 1HD PRO 93 5.890 -17.492 -16.014 678 H ALA 94 H ALA 94 5.425 -17.497 -21.036 679 HA ALA 94 HA ALA 94 2.871 -16.094 -21.548 680 1HB ALA 94 1HB ALA 94 5.339 -15.313 -21.950 681 2HB ALA 94 2HB ALA 94 4.121 -14.937 -23.170 682 3HB ALA 94 3HB ALA 94 5.225 -16.290 -23.414 Start of MODEL 10 1 1H ASN 1 1H ASN 1 -2.248 15.872 7.127 2 2H ASN 1 2H ASN 1 -0.643 16.425 7.053 3 3H ASN 1 3H ASN 1 -1.064 15.166 8.114 4 HA ASN 1 HA ASN 1 -0.802 15.083 5.170 5 1HB ASN 1 2HB ASN 1 0.684 14.350 7.477 6 2HB ASN 1 1HB ASN 1 0.145 12.852 6.717 7 1HD2 ASN 1 1HD2 ASN 1 0.154 13.627 3.986 8 2HD2 ASN 1 2HD2 ASN 1 1.747 13.978 3.518 9 H ILE 2 H ILE 2 -0.986 12.344 4.928 10 HA ILE 2 HA ILE 2 -3.898 11.885 5.404 11 HB ILE 2 HB ILE 2 -3.036 11.922 3.089 12 1HG1 ILE 2 2HG1 ILE 2 -3.612 9.034 3.725 13 2HG1 ILE 2 1HG1 ILE 2 -4.854 10.264 3.960 14 1HG2 ILE 2 1HG2 ILE 2 -0.746 11.217 3.484 15 2HG2 ILE 2 2HG2 ILE 2 -1.505 10.073 2.381 16 3HG2 ILE 2 3HG2 ILE 2 -1.291 9.649 4.078 17 1HD1 ILE 2 1HD1 ILE 2 -5.157 10.564 1.725 18 2HD1 ILE 2 2HD1 ILE 2 -4.396 8.979 1.587 19 3HD1 ILE 2 3HD1 ILE 2 -3.431 10.441 1.381 20 H ASP 3 H ASP 3 -4.398 9.408 5.632 21 HA ASP 3 HA ASP 3 -3.373 8.422 8.076 22 1HB ASP 3 2HB ASP 3 -5.502 7.838 6.825 23 2HB ASP 3 1HB ASP 3 -4.519 6.803 5.788 24 H ARG 4 H ARG 4 -2.090 8.084 4.827 25 HA ARG 4 HA ARG 4 -0.062 7.100 4.089 26 1HB ARG 4 2HB ARG 4 0.201 7.788 6.903 27 2HB ARG 4 1HB ARG 4 1.181 6.376 6.505 28 1HG ARG 4 2HG ARG 4 2.707 7.873 5.746 29 2HG ARG 4 1HG ARG 4 1.644 8.034 4.349 30 1HD ARG 4 2HD ARG 4 2.116 10.266 5.257 31 2HD ARG 4 1HD ARG 4 0.417 9.865 5.576 32 HE ARG 4 HE ARG 4 1.106 9.196 7.878 33 1HH1 ARG 4 1HH2 ARG 4 1.805 12.151 7.325 34 2HH1 ARG 4 2HH2 ARG 4 3.375 12.242 8.047 35 1HH2 ARG 4 1HH1 ARG 4 3.790 8.802 8.217 36 2HH2 ARG 4 2HH1 ARG 4 4.502 10.346 8.551 37 HA PRO 5 HA PRO 5 -1.784 2.935 4.614 38 1HB PRO 5 2HB PRO 5 -1.199 2.118 2.071 39 2HB PRO 5 1HB PRO 5 -2.643 3.066 2.475 40 1HG PRO 5 2HG PRO 5 -0.069 3.960 1.276 41 2HG PRO 5 1HG PRO 5 -1.723 4.491 0.928 42 1HD PRO 5 2HD PRO 5 0.036 5.908 2.478 43 2HD PRO 5 1HD PRO 5 -1.731 6.015 2.634 44 H LYS 6 H LYS 6 -0.659 0.725 3.935 45 HA LYS 6 HA LYS 6 2.121 0.498 3.461 46 1HB LYS 6 2HB LYS 6 1.500 1.705 5.932 47 2HB LYS 6 1HB LYS 6 1.989 0.057 6.327 48 1HG LYS 6 2HG LYS 6 4.035 0.357 4.954 49 2HG LYS 6 1HG LYS 6 3.559 2.027 4.644 50 1HD LYS 6 2HD LYS 6 4.458 2.675 6.600 51 2HD LYS 6 1HD LYS 6 3.423 1.543 7.470 52 1HE LYS 6 2HE LYS 6 5.364 -0.102 6.309 53 2HE LYS 6 1HE LYS 6 6.269 1.321 6.864 54 1HZ LYS 6 1HZ LYS 6 4.190 0.074 8.550 55 2HZ LYS 6 2HZ LYS 6 5.456 1.105 9.020 56 3HZ LYS 6 3HZ LYS 6 5.784 -0.501 8.570 57 H GLY 7 H GLY 7 2.737 -1.717 3.495 58 1HA GLY 7 2HA GLY 7 2.506 -4.041 3.889 59 2HA GLY 7 1HA GLY 7 1.145 -3.690 4.954 60 H LEU 8 H LEU 8 2.057 -3.900 1.525 61 HA LEU 8 HA LEU 8 -0.791 -4.030 0.726 62 1HB LEU 8 2HB LEU 8 0.034 -3.516 -1.396 63 2HB LEU 8 1HB LEU 8 1.289 -2.807 -0.384 64 HG LEU 8 HG LEU 8 2.182 -5.389 -0.621 65 1HD1 LEU 8 1HD1 LEU 8 1.957 -5.983 -3.003 66 2HD1 LEU 8 2HD1 LEU 8 0.911 -4.588 -3.254 67 3HD1 LEU 8 3HD1 LEU 8 0.380 -5.914 -2.221 68 1HD2 LEU 8 1HD2 LEU 8 3.194 -2.973 -1.122 69 2HD2 LEU 8 2HD2 LEU 8 2.893 -3.450 -2.793 70 3HD2 LEU 8 3HD2 LEU 8 3.952 -4.426 -1.774 71 H ALA 9 H ALA 9 -1.662 -5.904 -0.389 72 HA ALA 9 HA ALA 9 -0.253 -8.452 0.304 73 1HB ALA 9 1HB ALA 9 -2.330 -8.545 1.309 74 2HB ALA 9 2HB ALA 9 -2.763 -9.200 -0.271 75 3HB ALA 9 3HB ALA 9 -3.074 -7.503 0.096 76 H PHE 10 H PHE 10 -0.668 -10.270 -1.321 77 HA PHE 10 HA PHE 10 -0.723 -9.212 -4.131 78 1HB PHE 10 2HB PHE 10 1.147 -11.054 -2.667 79 2HB PHE 10 1HB PHE 10 0.943 -11.237 -4.409 80 HD1 PHE 10 HD1 PHE 10 1.298 -9.190 -5.899 81 HD2 PHE 10 HD2 PHE 10 2.499 -9.326 -1.776 82 HE1 PHE 10 HE1 PHE 10 2.826 -7.275 -6.280 83 HE2 PHE 10 HE2 PHE 10 4.028 -7.411 -2.160 84 HZ PHE 10 HZ PHE 10 4.191 -6.385 -4.412 85 H THR 11 H THR 11 -2.132 -10.312 -5.480 86 HA THR 11 HA THR 11 -3.575 -12.660 -4.366 87 HB THR 11 HB THR 11 -3.995 -10.666 -6.599 88 HG1 THR 11 HG1 THR 11 -4.602 -10.408 -4.274 89 1HG2 THR 11 1HG2 THR 11 -5.007 -12.313 -7.766 90 2HG2 THR 11 2HG2 THR 11 -6.278 -12.198 -6.549 91 3HG2 THR 11 3HG2 THR 11 -5.007 -13.410 -6.387 92 H ASP 12 H ASP 12 -2.661 -11.841 -7.709 93 HA ASP 12 HA ASP 12 -1.289 -14.472 -7.953 94 1HB ASP 12 2HB ASP 12 -3.830 -14.141 -8.734 95 2HB ASP 12 1HB ASP 12 -3.033 -13.489 -10.167 96 H VAL 13 H VAL 13 0.664 -14.228 -8.994 97 HA VAL 13 HA VAL 13 1.197 -11.619 -10.344 98 HB VAL 13 HB VAL 13 2.561 -12.403 -8.396 99 1HG1 VAL 13 1HG1 VAL 13 4.074 -14.346 -9.975 100 2HG1 VAL 13 2HG1 VAL 13 2.409 -14.857 -9.695 101 3HG1 VAL 13 3HG1 VAL 13 3.458 -14.479 -8.329 102 1HG2 VAL 13 1HG2 VAL 13 3.584 -10.865 -9.957 103 2HG2 VAL 13 2HG2 VAL 13 3.931 -12.172 -11.089 104 3HG2 VAL 13 3HG2 VAL 13 4.783 -12.092 -9.547 105 H ASP 14 H ASP 14 1.734 -11.567 -12.515 106 HA ASP 14 HA ASP 14 2.331 -14.132 -13.914 107 1HB ASP 14 2HB ASP 14 -0.167 -13.292 -13.887 108 2HB ASP 14 1HB ASP 14 0.412 -12.136 -15.089 109 H VAL 15 H VAL 15 3.666 -13.827 -15.760 110 HA VAL 15 HA VAL 15 5.549 -11.798 -15.835 111 HB VAL 15 HB VAL 15 5.827 -13.763 -17.140 112 1HG1 VAL 15 1HG1 VAL 15 3.045 -13.412 -17.645 113 2HG1 VAL 15 2HG1 VAL 15 4.053 -14.803 -18.039 114 3HG1 VAL 15 3HG1 VAL 15 3.866 -13.490 -19.201 115 1HG2 VAL 15 1HG2 VAL 15 6.872 -12.608 -18.752 116 2HG2 VAL 15 2HG2 VAL 15 5.894 -11.196 -18.371 117 3HG2 VAL 15 3HG2 VAL 15 5.335 -12.356 -19.574 118 H ASP 16 H ASP 16 2.296 -11.751 -17.243 119 HA ASP 16 HA ASP 16 2.710 -8.849 -17.851 120 1HB ASP 16 2HB ASP 16 1.379 -9.273 -19.924 121 2HB ASP 16 1HB ASP 16 2.893 -10.177 -19.896 122 H SER 17 H SER 17 1.479 -9.951 -15.502 123 HA SER 17 HA SER 17 -0.980 -8.509 -15.416 124 1HB SER 17 2HB SER 17 -1.211 -10.762 -16.921 125 2HB SER 17 1HB SER 17 -1.634 -11.397 -15.336 126 HG SER 17 HG SER 17 -3.151 -10.011 -16.972 127 H ILE 18 H ILE 18 -0.768 -7.946 -13.283 128 HA ILE 18 HA ILE 18 -0.369 -10.155 -11.301 129 HB ILE 18 HB ILE 18 0.974 -7.453 -11.533 130 1HG1 ILE 18 2HG1 ILE 18 2.133 -10.243 -11.263 131 2HG1 ILE 18 1HG1 ILE 18 1.876 -9.438 -12.812 132 1HG2 ILE 18 1HG2 ILE 18 0.683 -7.511 -9.238 133 2HG2 ILE 18 2HG2 ILE 18 2.152 -8.476 -9.374 134 3HG2 ILE 18 3HG2 ILE 18 0.590 -9.271 -9.189 135 1HD1 ILE 18 1HD1 ILE 18 3.412 -7.679 -12.247 136 2HD1 ILE 18 2HD1 ILE 18 4.216 -9.199 -11.854 137 3HD1 ILE 18 3HD1 ILE 18 3.506 -8.220 -10.570 138 H LYS 19 H LYS 19 -1.927 -10.123 -9.736 139 HA LYS 19 HA LYS 19 -3.723 -7.757 -9.538 140 1HB LYS 19 2HB LYS 19 -3.819 -10.591 -8.455 141 2HB LYS 19 1HB LYS 19 -5.094 -9.399 -8.217 142 1HG LYS 19 2HG LYS 19 -5.712 -9.411 -10.459 143 2HG LYS 19 1HG LYS 19 -4.130 -9.976 -10.995 144 1HD LYS 19 2HD LYS 19 -5.650 -11.830 -11.220 145 2HD LYS 19 1HD LYS 19 -4.624 -12.168 -9.827 146 1HE LYS 19 2HE LYS 19 -6.639 -12.561 -8.785 147 2HE LYS 19 1HE LYS 19 -6.669 -10.792 -8.632 148 1HZ LYS 19 1HZ LYS 19 -8.655 -11.316 -9.727 149 2HZ LYS 19 2HZ LYS 19 -7.915 -12.474 -10.725 150 3HZ LYS 19 3HZ LYS 19 -7.619 -10.819 -10.972 151 H ILE 20 H ILE 20 -3.073 -6.251 -8.020 152 HA ILE 20 HA ILE 20 -1.829 -7.310 -5.497 153 HB ILE 20 HB ILE 20 -0.481 -5.305 -5.493 154 1HG1 ILE 20 2HG1 ILE 20 -1.934 -4.454 -8.014 155 2HG1 ILE 20 1HG1 ILE 20 -2.371 -3.862 -6.409 156 1HG2 ILE 20 1HG2 ILE 20 0.499 -6.970 -6.872 157 2HG2 ILE 20 2HG2 ILE 20 0.556 -5.500 -7.844 158 3HG2 ILE 20 3HG2 ILE 20 -0.682 -6.717 -8.158 159 1HD1 ILE 20 1HD1 ILE 20 -0.819 -2.251 -6.766 160 2HD1 ILE 20 2HD1 ILE 20 -0.091 -3.132 -8.110 161 3HD1 ILE 20 3HD1 ILE 20 0.370 -3.515 -6.451 162 H ALA 21 H ALA 21 -2.435 -6.277 -3.539 163 HA ALA 21 HA ALA 21 -4.695 -4.323 -3.669 164 1HB ALA 21 1HB ALA 21 -4.596 -6.773 -1.885 165 2HB ALA 21 2HB ALA 21 -5.440 -6.743 -3.433 166 3HB ALA 21 3HB ALA 21 -5.963 -5.684 -2.123 167 H TRP 22 H TRP 22 -4.202 -2.610 -2.330 168 HA TRP 22 HA TRP 22 -2.129 -3.054 -0.211 169 1HB TRP 22 2HB TRP 22 -1.935 -0.534 -0.405 170 2HB TRP 22 1HB TRP 22 -1.532 -1.419 -1.876 171 HD1 TRP 22 HD1 TRP 22 -4.290 0.735 -0.332 172 HE1 TRP 22 HE1 TRP 22 -5.811 1.603 -2.225 173 HE3 TRP 22 HE3 TRP 22 -2.349 -1.858 -4.272 174 HZ2 TRP 22 HZ2 TRP 22 -6.154 1.242 -5.039 175 HZ3 TRP 22 HZ3 TRP 22 -3.289 -1.578 -6.548 176 HH2 TRP 22 HH2 TRP 22 -5.188 -0.027 -6.935 177 H GLU 23 H GLU 23 -2.442 -1.471 1.710 178 HA GLU 23 HA GLU 23 -5.042 -2.008 2.919 179 1HB GLU 23 2HB GLU 23 -2.855 -2.062 4.103 180 2HB GLU 23 1HB GLU 23 -2.674 -0.330 3.812 181 1HG GLU 23 2HG GLU 23 -3.693 -0.109 5.834 182 2HG GLU 23 1HG GLU 23 -5.172 -0.428 4.926 183 H SER 24 H SER 24 -6.739 -0.559 3.140 184 HA SER 24 HA SER 24 -6.597 1.969 1.629 185 1HB SER 24 2HB SER 24 -8.562 0.660 1.342 186 2HB SER 24 1HB SER 24 -8.719 0.372 3.071 187 HG SER 24 HG SER 24 -9.947 2.190 1.759 188 HA PRO 25 HA PRO 25 -5.876 4.447 5.189 189 1HB PRO 25 2HB PRO 25 -6.846 6.829 4.266 190 2HB PRO 25 1HB PRO 25 -5.304 6.135 3.721 191 1HG PRO 25 2HG PRO 25 -7.948 6.171 2.363 192 2HG PRO 25 1HG PRO 25 -6.321 6.293 1.677 193 1HD PRO 25 2HD PRO 25 -7.855 4.004 1.649 194 2HD PRO 25 1HD PRO 25 -6.083 4.029 1.523 195 H GLN 26 H GLN 26 -7.365 6.456 6.249 196 HA GLN 26 HA GLN 26 -9.940 5.106 6.939 197 1HB GLN 26 2HB GLN 26 -8.205 7.185 8.302 198 2HB GLN 26 1HB GLN 26 -9.752 6.632 8.945 199 1HG GLN 26 2HG GLN 26 -8.861 4.281 8.887 200 2HG GLN 26 1HG GLN 26 -7.289 4.943 8.439 201 1HE2 GLN 26 1HE2 GLN 26 -9.631 4.684 11.082 202 2HE2 GLN 26 2HE2 GLN 26 -8.601 5.284 12.291 203 H GLY 27 H GLY 27 -8.549 8.107 5.736 204 1HA GLY 27 2HA GLY 27 -11.205 9.414 5.676 205 2HA GLY 27 1HA GLY 27 -9.670 10.180 5.270 206 H GLN 28 H GLN 28 -11.643 7.434 4.128 207 HA GLN 28 HA GLN 28 -11.873 6.617 1.903 208 1HB GLN 28 2HB GLN 28 -13.024 8.288 0.576 209 2HB GLN 28 1HB GLN 28 -13.478 8.521 2.264 210 1HG GLN 28 2HG GLN 28 -11.975 10.376 2.502 211 2HG GLN 28 1HG GLN 28 -11.223 10.043 0.941 212 1HE2 GLN 28 1HE2 GLN 28 -13.885 11.650 2.506 213 2HE2 GLN 28 2HE2 GLN 28 -14.628 12.234 1.097 214 H VAL 29 H VAL 29 -11.401 8.290 -0.415 215 HA VAL 29 HA VAL 29 -8.553 8.956 -0.481 216 HB VAL 29 HB VAL 29 -9.684 6.346 -1.475 217 1HG1 VAL 29 1HG1 VAL 29 -8.714 7.340 -3.482 218 2HG1 VAL 29 2HG1 VAL 29 -7.634 6.080 -2.886 219 3HG1 VAL 29 3HG1 VAL 29 -7.253 7.777 -2.597 220 1HG2 VAL 29 1HG2 VAL 29 -7.362 7.300 0.172 221 2HG2 VAL 29 2HG2 VAL 29 -7.239 5.752 -0.664 222 3HG2 VAL 29 3HG2 VAL 29 -8.522 6.017 0.517 223 H SER 30 H SER 30 -8.702 10.773 -1.758 224 HA SER 30 HA SER 30 -10.793 11.204 -3.708 225 1HB SER 30 2HB SER 30 -9.598 12.986 -2.478 226 2HB SER 30 1HB SER 30 -8.093 12.529 -3.270 227 HG SER 30 HG SER 30 -8.788 14.027 -4.622 228 H ARG 31 H ARG 31 -7.761 9.569 -3.773 229 HA ARG 31 HA ARG 31 -8.051 8.355 -6.281 230 1HB ARG 31 2HB ARG 31 -7.486 11.157 -6.444 231 2HB ARG 31 1HB ARG 31 -6.086 10.277 -7.054 232 1HG ARG 31 2HG ARG 31 -7.188 9.616 -8.912 233 2HG ARG 31 1HG ARG 31 -8.606 9.127 -7.984 234 1HD ARG 31 2HD ARG 31 -9.617 10.918 -8.984 235 2HD ARG 31 1HD ARG 31 -8.706 11.888 -7.808 236 HE ARG 31 HE ARG 31 -7.339 11.128 -10.334 237 1HH1 ARG 31 1HH2 ARG 31 -6.698 13.250 -8.100 238 2HH1 ARG 31 2HH2 ARG 31 -6.957 14.702 -9.009 239 1HH2 ARG 31 1HH1 ARG 31 -8.599 13.093 -11.607 240 2HH2 ARG 31 2HH1 ARG 31 -8.035 14.613 -10.996 241 H TYR 32 H TYR 32 -6.062 7.240 -6.952 242 HA TYR 32 HA TYR 32 -3.823 7.419 -4.980 243 1HB TYR 32 2HB TYR 32 -3.865 4.895 -4.977 244 2HB TYR 32 1HB TYR 32 -5.300 5.631 -4.262 245 HD1 TYR 32 HD1 TYR 32 -7.356 5.982 -5.809 246 HD2 TYR 32 HD2 TYR 32 -4.070 3.398 -6.770 247 HE1 TYR 32 HE1 TYR 32 -8.772 4.787 -7.461 248 HE2 TYR 32 HE2 TYR 32 -5.484 2.209 -8.421 249 HH TYR 32 HH TYR 32 -8.911 3.078 -8.861 250 H ARG 33 H ARG 33 -2.002 7.810 -6.172 251 HA ARG 33 HA ARG 33 -1.910 7.232 -9.040 252 1HB ARG 33 2HB ARG 33 -0.586 8.861 -7.073 253 2HB ARG 33 1HB ARG 33 0.628 7.964 -7.989 254 1HG ARG 33 2HG ARG 33 -0.448 8.733 -10.103 255 2HG ARG 33 1HG ARG 33 -1.571 9.702 -9.149 256 1HD ARG 33 2HD ARG 33 0.367 10.936 -8.165 257 2HD ARG 33 1HD ARG 33 1.451 10.015 -9.226 258 HE ARG 33 HE ARG 33 -0.796 11.627 -10.366 259 1HH1 ARG 33 1HH2 ARG 33 1.617 13.264 -9.981 260 2HH1 ARG 33 2HH2 ARG 33 2.497 13.022 -11.453 261 1HH2 ARG 33 1HH1 ARG 33 0.714 10.189 -12.365 262 2HH2 ARG 33 2HH1 ARG 33 1.985 11.281 -12.804 263 H VAL 34 H VAL 34 -1.613 5.100 -9.615 264 HA VAL 34 HA VAL 34 0.270 3.416 -8.024 265 HB VAL 34 HB VAL 34 -1.675 2.710 -10.245 266 1HG1 VAL 34 1HG1 VAL 34 0.375 1.241 -8.900 267 2HG1 VAL 34 2HG1 VAL 34 -0.785 0.651 -10.090 268 3HG1 VAL 34 3HG1 VAL 34 -1.183 0.607 -8.372 269 1HG2 VAL 34 1HG2 VAL 34 -2.331 1.911 -7.501 270 2HG2 VAL 34 2HG2 VAL 34 -3.355 2.660 -8.726 271 3HG2 VAL 34 3HG2 VAL 34 -2.306 3.661 -7.721 272 H THR 35 H THR 35 2.318 4.014 -8.836 273 HA THR 35 HA THR 35 2.687 3.982 -11.800 274 HB THR 35 HB THR 35 5.035 4.834 -10.618 275 HG1 THR 35 HG1 THR 35 4.587 5.776 -8.779 276 1HG2 THR 35 1HG2 THR 35 3.663 5.870 -12.469 277 2HG2 THR 35 2HG2 THR 35 4.362 7.028 -11.338 278 3HG2 THR 35 3HG2 THR 35 2.654 6.601 -11.219 279 H TYR 36 H TYR 36 4.166 2.545 -12.752 280 HA TYR 36 HA TYR 36 5.569 0.641 -10.924 281 1HB TYR 36 2HB TYR 36 4.912 -0.935 -13.081 282 2HB TYR 36 1HB TYR 36 3.986 -0.878 -11.587 283 HD1 TYR 36 HD1 TYR 36 2.189 1.094 -11.462 284 HD2 TYR 36 HD2 TYR 36 3.815 -0.522 -15.094 285 HE1 TYR 36 HE1 TYR 36 0.226 1.942 -12.718 286 HE2 TYR 36 HE2 TYR 36 1.851 0.328 -16.351 287 HH TYR 36 HH TYR 36 -0.663 0.902 -15.658 288 H SER 37 H SER 37 7.692 0.313 -11.480 289 HA SER 37 HA SER 37 8.587 1.494 -14.091 290 1HB SER 37 2HB SER 37 10.732 1.799 -12.855 291 2HB SER 37 1HB SER 37 9.380 2.630 -12.090 292 HG SER 37 HG SER 37 9.607 1.379 -10.420 293 H SER 38 H SER 38 10.076 0.351 -15.359 294 HA SER 38 HA SER 38 10.627 -2.487 -14.565 295 1HB SER 38 2HB SER 38 9.368 -1.247 -16.964 296 2HB SER 38 1HB SER 38 10.430 -2.623 -17.248 297 HG SER 38 HG SER 38 8.045 -2.458 -15.752 298 HA PRO 39 HA PRO 39 14.761 -1.288 -15.536 299 1HB PRO 39 2HB PRO 39 15.873 -3.782 -15.676 300 2HB PRO 39 1HB PRO 39 15.434 -3.002 -14.142 301 1HG PRO 39 2HG PRO 39 13.997 -5.114 -15.667 302 2HG PRO 39 1HG PRO 39 14.160 -4.894 -13.918 303 1HD PRO 39 2HD PRO 39 11.917 -4.216 -15.356 304 2HD PRO 39 1HD PRO 39 12.368 -3.486 -13.799 305 H GLU 40 H GLU 40 13.453 -0.832 -17.787 306 HA GLU 40 HA GLU 40 15.162 -1.547 -19.930 307 1HB GLU 40 2HB GLU 40 13.458 -3.642 -19.036 308 2HB GLU 40 1HB GLU 40 12.861 -3.124 -20.613 309 1HG GLU 40 2HG GLU 40 15.263 -3.250 -21.437 310 2HG GLU 40 1HG GLU 40 15.653 -4.057 -19.917 311 H ASP 41 H ASP 41 11.580 -1.615 -19.726 312 HA ASP 41 HA ASP 41 11.315 0.230 -21.966 313 1HB ASP 41 2HB ASP 41 9.789 -1.696 -21.190 314 2HB ASP 41 1HB ASP 41 9.206 -0.575 -19.958 315 H GLY 42 H GLY 42 11.197 0.492 -18.449 316 1HA GLY 42 2HA GLY 42 11.924 2.776 -17.615 317 2HA GLY 42 1HA GLY 42 10.749 3.432 -18.754 318 H ILE 43 H ILE 43 9.091 4.235 -17.541 319 HA ILE 43 HA ILE 43 7.798 2.383 -15.586 320 HB ILE 43 HB ILE 43 9.444 4.108 -14.607 321 1HG1 ILE 43 2HG1 ILE 43 6.538 4.149 -13.727 322 2HG1 ILE 43 1HG1 ILE 43 7.740 2.953 -13.252 323 1HG2 ILE 43 1HG2 ILE 43 8.433 6.386 -14.322 324 2HG2 ILE 43 2HG2 ILE 43 7.170 5.923 -15.462 325 3HG2 ILE 43 3HG2 ILE 43 8.849 6.014 -15.995 326 1HD1 ILE 43 1HD1 ILE 43 7.938 5.924 -12.690 327 2HD1 ILE 43 2HD1 ILE 43 9.084 4.689 -12.166 328 3HD1 ILE 43 3HD1 ILE 43 7.445 4.703 -11.516 329 H HIS 44 H HIS 44 5.537 2.785 -15.312 330 HA HIS 44 HA HIS 44 4.323 4.712 -17.263 331 1HB HIS 44 2HB HIS 44 4.272 2.230 -17.852 332 2HB HIS 44 1HB HIS 44 3.232 2.011 -16.451 333 HD1 HIS 44 HD1 HIS 44 0.841 1.969 -17.125 334 HD2 HIS 44 HD2 HIS 44 3.045 4.615 -19.475 335 HE1 HIS 44 HE1 HIS 44 -0.797 3.022 -18.748 336 H GLU 45 H GLU 45 1.838 4.983 -16.539 337 HA GLU 45 HA GLU 45 1.765 5.121 -13.545 338 1HB GLU 45 2HB GLU 45 1.042 7.231 -15.593 339 2HB GLU 45 1HB GLU 45 0.738 7.382 -13.862 340 1HG GLU 45 2HG GLU 45 3.029 7.464 -13.338 341 2HG GLU 45 1HG GLU 45 3.501 6.745 -14.879 342 H LEU 46 H LEU 46 -0.261 4.884 -12.606 343 HA LEU 46 HA LEU 46 -2.636 4.461 -14.366 344 1HB LEU 46 2HB LEU 46 -1.275 2.333 -13.688 345 2HB LEU 46 1HB LEU 46 -1.954 2.598 -12.086 346 HG LEU 46 HG LEU 46 -4.240 2.670 -13.205 347 1HD1 LEU 46 1HD1 LEU 46 -4.485 2.203 -15.436 348 2HD1 LEU 46 2HD1 LEU 46 -3.091 1.123 -15.470 349 3HD1 LEU 46 3HD1 LEU 46 -2.854 2.869 -15.515 350 1HD2 LEU 46 1HD2 LEU 46 -4.484 0.335 -13.032 351 2HD2 LEU 46 2HD2 LEU 46 -3.056 0.649 -12.048 352 3HD2 LEU 46 3HD2 LEU 46 -2.877 0.024 -13.686 353 H PHE 47 H PHE 47 -4.258 5.727 -13.498 354 HA PHE 47 HA PHE 47 -4.470 5.943 -10.549 355 1HB PHE 47 2HB PHE 47 -4.003 8.232 -10.462 356 2HB PHE 47 1HB PHE 47 -2.891 7.700 -11.717 357 HD1 PHE 47 HD1 PHE 47 -4.805 10.354 -10.980 358 HD2 PHE 47 HD2 PHE 47 -4.502 7.426 -14.108 359 HE1 PHE 47 HE1 PHE 47 -5.867 11.936 -12.566 360 HE2 PHE 47 HE2 PHE 47 -5.566 9.005 -15.692 361 HZ PHE 47 HZ PHE 47 -6.248 11.262 -14.922 362 HA PRO 48 HA PRO 48 -8.474 6.221 -13.028 363 1HB PRO 48 2HB PRO 48 -9.432 3.707 -12.516 364 2HB PRO 48 1HB PRO 48 -8.460 4.094 -13.952 365 1HG PRO 48 2HG PRO 48 -7.630 2.796 -11.401 366 2HG PRO 48 1HG PRO 48 -7.131 2.439 -13.062 367 1HD PRO 48 2HD PRO 48 -5.595 3.867 -11.313 368 2HD PRO 48 1HD PRO 48 -5.532 4.088 -13.077 369 H ALA 49 H ALA 49 -9.260 7.600 -11.407 370 HA ALA 49 HA ALA 49 -9.396 7.516 -8.713 371 1HB ALA 49 1HB ALA 49 -10.714 8.830 -10.708 372 2HB ALA 49 2HB ALA 49 -11.045 9.064 -8.991 373 3HB ALA 49 3HB ALA 49 -12.046 7.966 -9.940 374 HA PRO 50 HA PRO 50 -11.297 3.704 -7.598 375 1HB PRO 50 2HB PRO 50 -11.646 4.229 -4.940 376 2HB PRO 50 1HB PRO 50 -10.068 3.837 -5.652 377 1HG PRO 50 2HG PRO 50 -11.176 6.478 -4.854 378 2HG PRO 50 1HG PRO 50 -9.515 5.872 -4.756 379 1HD PRO 50 2HD PRO 50 -10.427 7.592 -6.703 380 2HD PRO 50 1HD PRO 50 -9.022 6.522 -6.886 381 H ASP 51 H ASP 51 -13.339 3.050 -6.231 382 HA ASP 51 HA ASP 51 -15.523 5.018 -6.825 383 1HB ASP 51 2HB ASP 51 -15.494 3.055 -8.287 384 2HB ASP 51 1HB ASP 51 -15.451 1.987 -6.883 385 H GLY 52 H GLY 52 -14.198 2.703 -4.515 386 1HA GLY 52 2HA GLY 52 -14.719 3.597 -2.115 387 2HA GLY 52 1HA GLY 52 -16.397 3.354 -2.607 388 H GLU 53 H GLU 53 -15.248 0.944 -4.232 389 HA GLU 53 HA GLU 53 -15.065 -0.935 -1.919 390 1HB GLU 53 2HB GLU 53 -17.142 -0.585 -3.730 391 2HB GLU 53 1HB GLU 53 -16.269 -1.982 -4.362 392 1HG GLU 53 2HG GLU 53 -16.535 -2.109 -1.468 393 2HG GLU 53 1HG GLU 53 -18.107 -2.002 -2.262 394 H GLU 54 H GLU 54 -13.109 0.317 -4.037 395 HA GLU 54 HA GLU 54 -11.855 -2.300 -4.791 396 1HB GLU 54 2HB GLU 54 -12.627 0.092 -6.376 397 2HB GLU 54 1HB GLU 54 -11.072 -0.638 -6.778 398 1HG GLU 54 2HG GLU 54 -13.146 -2.652 -6.389 399 2HG GLU 54 1HG GLU 54 -13.567 -1.510 -7.665 400 H ASP 55 H ASP 55 -9.956 -2.429 -3.667 401 HA ASP 55 HA ASP 55 -8.333 0.077 -3.346 402 1HB ASP 55 2HB ASP 55 -9.147 -2.120 -1.486 403 2HB ASP 55 1HB ASP 55 -7.553 -1.400 -1.254 404 H THR 56 H THR 56 -8.377 -2.376 -5.294 405 HA THR 56 HA THR 56 -5.508 -3.177 -4.903 406 HB THR 56 HB THR 56 -6.202 -5.230 -6.127 407 HG1 THR 56 HG1 THR 56 -7.887 -4.844 -7.334 408 1HG2 THR 56 1HG2 THR 56 -7.039 -6.211 -4.241 409 2HG2 THR 56 2HG2 THR 56 -8.304 -4.999 -4.049 410 3HG2 THR 56 3HG2 THR 56 -6.657 -4.644 -3.526 411 H ALA 57 H ALA 57 -4.834 -4.091 -7.353 412 HA ALA 57 HA ALA 57 -5.680 -2.090 -9.391 413 1HB ALA 57 1HB ALA 57 -2.911 -2.494 -8.248 414 2HB ALA 57 2HB ALA 57 -3.845 -1.000 -8.316 415 3HB ALA 57 3HB ALA 57 -3.180 -1.693 -9.796 416 H GLU 58 H GLU 58 -5.297 -2.794 -11.540 417 HA GLU 58 HA GLU 58 -4.559 -5.685 -11.819 418 1HB GLU 58 2HB GLU 58 -6.387 -3.761 -13.241 419 2HB GLU 58 1HB GLU 58 -5.836 -5.224 -14.058 420 1HG GLU 58 2HG GLU 58 -6.710 -5.801 -11.346 421 2HG GLU 58 1HG GLU 58 -7.990 -5.027 -12.281 422 H LEU 59 H LEU 59 -2.254 -5.264 -11.984 423 HA LEU 59 HA LEU 59 -1.237 -3.441 -14.040 424 1HB LEU 59 2HB LEU 59 0.014 -5.529 -12.227 425 2HB LEU 59 1HB LEU 59 0.941 -4.451 -13.270 426 HG LEU 59 HG LEU 59 -0.822 -3.704 -10.928 427 1HD1 LEU 59 1HD1 LEU 59 2.098 -3.428 -11.642 428 2HD1 LEU 59 2HD1 LEU 59 1.384 -4.164 -10.207 429 3HD1 LEU 59 3HD1 LEU 59 1.358 -2.411 -10.407 430 1HD2 LEU 59 1HD2 LEU 59 -1.437 -1.952 -12.290 431 2HD2 LEU 59 2HD2 LEU 59 -0.031 -2.137 -13.339 432 3HD2 LEU 59 3HD2 LEU 59 0.131 -1.322 -11.784 433 H GLN 60 H GLN 60 -2.488 -4.512 -15.792 434 HA GLN 60 HA GLN 60 -1.471 -7.178 -16.614 435 1HB GLN 60 2HB GLN 60 -3.672 -5.479 -17.801 436 2HB GLN 60 1HB GLN 60 -3.467 -7.223 -17.940 437 1HG GLN 60 2HG GLN 60 -3.989 -7.557 -15.609 438 2HG GLN 60 1HG GLN 60 -3.918 -5.824 -15.287 439 1HE2 GLN 60 1HE2 GLN 60 -5.607 -4.465 -16.494 440 2HE2 GLN 60 2HE2 GLN 60 -7.125 -5.168 -16.785 441 H GLY 61 H GLY 61 -0.187 -7.416 -18.437 442 1HA GLY 61 2HA GLY 61 0.760 -6.810 -20.550 443 2HA GLY 61 1HA GLY 61 0.035 -5.210 -20.387 444 H LEU 62 H LEU 62 2.481 -7.230 -18.719 445 HA LEU 62 HA LEU 62 4.108 -4.732 -18.346 446 1HB LEU 62 2HB LEU 62 4.093 -7.242 -16.661 447 2HB LEU 62 1HB LEU 62 4.774 -5.677 -16.244 448 HG LEU 62 HG LEU 62 1.836 -6.199 -16.732 449 1HD1 LEU 62 1HD1 LEU 62 1.649 -5.841 -14.277 450 2HD1 LEU 62 2HD1 LEU 62 3.406 -5.785 -14.170 451 3HD1 LEU 62 3HD1 LEU 62 2.598 -7.272 -14.670 452 1HD2 LEU 62 1HD2 LEU 62 2.872 -3.872 -17.204 453 2HD2 LEU 62 2HD2 LEU 62 3.113 -3.772 -15.460 454 3HD2 LEU 62 3HD2 LEU 62 1.484 -3.933 -16.117 455 H ARG 63 H ARG 63 6.531 -5.528 -17.801 456 HA ARG 63 HA ARG 63 7.512 -6.888 -20.203 457 1HB ARG 63 2HB ARG 63 8.747 -5.673 -17.716 458 2HB ARG 63 1HB ARG 63 9.724 -6.428 -18.974 459 1HG ARG 63 2HG ARG 63 7.818 -4.096 -19.355 460 2HG ARG 63 1HG ARG 63 9.581 -4.011 -19.368 461 1HD ARG 63 2HD ARG 63 9.363 -4.284 -21.628 462 2HD ARG 63 1HD ARG 63 9.073 -5.990 -21.234 463 HE ARG 63 HE ARG 63 6.602 -5.267 -20.994 464 1HH1 ARG 63 1HH1 ARG 63 7.342 -5.699 -23.834 465 2HH1 ARG 63 2HH1 ARG 63 6.854 -4.218 -24.584 466 1HH2 ARG 63 1HH2 ARG 63 6.638 -2.467 -21.600 467 2HH2 ARG 63 2HH2 ARG 63 6.451 -2.389 -23.319 468 HA PRO 64 HA PRO 64 7.709 -10.842 -18.258 469 1HB PRO 64 2HB PRO 64 9.027 -12.154 -20.249 470 2HB PRO 64 1HB PRO 64 7.326 -11.673 -20.371 471 1HG PRO 64 2HG PRO 64 9.693 -10.523 -21.685 472 2HG PRO 64 1HG PRO 64 7.994 -10.477 -22.173 473 1HD PRO 64 2HD PRO 64 9.480 -8.407 -20.911 474 2HD PRO 64 1HD PRO 64 7.743 -8.420 -21.276 475 H GLY 65 H GLY 65 9.117 -11.553 -16.698 476 1HA GLY 65 2HA GLY 65 11.134 -12.217 -15.687 477 2HA GLY 65 1HA GLY 65 11.930 -11.985 -17.240 478 H SER 66 H SER 66 10.498 -10.032 -14.587 479 HA SER 66 HA SER 66 12.954 -8.465 -14.374 480 1HB SER 66 2HB SER 66 10.625 -7.567 -16.002 481 2HB SER 66 1HB SER 66 11.449 -6.351 -15.032 482 HG SER 66 HG SER 66 13.430 -7.272 -16.018 483 H GLU 67 H GLU 67 13.046 -7.737 -12.280 484 HA GLU 67 HA GLU 67 10.890 -8.116 -10.413 485 1HB GLU 67 2HB GLU 67 13.289 -8.103 -9.831 486 2HB GLU 67 1HB GLU 67 13.405 -6.409 -10.313 487 1HG GLU 67 2HG GLU 67 11.647 -5.879 -8.572 488 2HG GLU 67 1HG GLU 67 11.788 -7.548 -8.013 489 H TYR 68 H TYR 68 9.030 -6.970 -11.090 490 HA TYR 68 HA TYR 68 9.078 -4.252 -12.035 491 1HB TYR 68 2HB TYR 68 7.200 -6.391 -11.460 492 2HB TYR 68 1HB TYR 68 6.542 -4.818 -11.004 493 HD1 TYR 68 HD1 TYR 68 5.833 -3.266 -12.642 494 HD2 TYR 68 HD2 TYR 68 8.185 -6.672 -13.783 495 HE1 TYR 68 HE1 TYR 68 5.460 -2.723 -15.032 496 HE2 TYR 68 HE2 TYR 68 7.810 -6.132 -16.171 497 HH TYR 68 HH TYR 68 7.068 -3.455 -17.351 498 H THR 69 H THR 69 9.541 -2.499 -10.821 499 HA THR 69 HA THR 69 9.144 -2.582 -7.877 500 HB THR 69 HB THR 69 10.197 -0.213 -9.367 501 HG1 THR 69 HG1 THR 69 11.308 -1.645 -10.505 502 1HG2 THR 69 1HG2 THR 69 11.783 -1.442 -7.235 503 2HG2 THR 69 2HG2 THR 69 10.141 -1.045 -6.728 504 3HG2 THR 69 3HG2 THR 69 11.190 0.213 -7.382 505 H VAL 70 H VAL 70 6.726 -2.555 -8.149 506 HA VAL 70 HA VAL 70 5.447 -0.241 -9.361 507 HB VAL 70 HB VAL 70 4.290 -2.210 -7.390 508 1HG1 VAL 70 1HG1 VAL 70 2.264 -1.859 -8.799 509 2HG1 VAL 70 2HG1 VAL 70 3.162 -0.681 -9.755 510 3HG1 VAL 70 3HG1 VAL 70 2.827 -0.363 -8.054 511 1HG2 VAL 70 1HG2 VAL 70 3.748 -3.507 -9.558 512 2HG2 VAL 70 2HG2 VAL 70 5.402 -3.613 -8.954 513 3HG2 VAL 70 3HG2 VAL 70 5.023 -2.543 -10.305 514 H SER 71 H SER 71 4.393 1.481 -8.251 515 HA SER 71 HA SER 71 5.136 1.782 -5.357 516 1HB SER 71 2HB SER 71 5.148 4.326 -6.389 517 2HB SER 71 1HB SER 71 6.585 3.328 -6.188 518 HG SER 71 HG SER 71 6.542 3.938 -8.307 519 H VAL 72 H VAL 72 2.974 1.276 -4.679 520 HA VAL 72 HA VAL 72 0.651 2.625 -5.836 521 HB VAL 72 HB VAL 72 1.039 1.135 -3.216 522 1HG1 VAL 72 1HG1 VAL 72 -1.047 2.547 -3.481 523 2HG1 VAL 72 2HG1 VAL 72 -1.350 0.826 -3.244 524 3HG1 VAL 72 3HG1 VAL 72 -1.477 1.531 -4.857 525 1HG2 VAL 72 1HG2 VAL 72 0.033 0.074 -5.873 526 2HG2 VAL 72 2HG2 VAL 72 0.375 -0.855 -4.414 527 3HG2 VAL 72 3HG2 VAL 72 1.696 -0.118 -5.321 528 H VAL 73 H VAL 73 -0.144 4.636 -5.212 529 HA VAL 73 HA VAL 73 0.827 5.777 -2.617 530 HB VAL 73 HB VAL 73 0.657 7.326 -5.208 531 1HG1 VAL 73 1HG1 VAL 73 1.885 7.749 -2.486 532 2HG1 VAL 73 2HG1 VAL 73 0.765 8.794 -3.359 533 3HG1 VAL 73 3HG1 VAL 73 2.441 8.659 -3.890 534 1HG2 VAL 73 1HG2 VAL 73 2.796 5.504 -4.170 535 2HG2 VAL 73 2HG2 VAL 73 3.288 6.999 -4.965 536 3HG2 VAL 73 3HG2 VAL 73 2.307 5.819 -5.834 537 H ALA 74 H ALA 74 -0.746 6.883 -1.498 538 HA ALA 74 HA ALA 74 -3.473 7.005 -2.681 539 1HB ALA 74 1HB ALA 74 -2.242 7.209 0.064 540 2HB ALA 74 2HB ALA 74 -3.414 6.031 -0.528 541 3HB ALA 74 3HB ALA 74 -3.917 7.691 -0.206 542 H LEU 75 H LEU 75 -4.733 9.100 -2.198 543 HA LEU 75 HA LEU 75 -2.924 11.485 -2.183 544 1HB LEU 75 2HB LEU 75 -5.162 10.849 -4.119 545 2HB LEU 75 1HB LEU 75 -4.255 12.361 -4.084 546 HG LEU 75 HG LEU 75 -2.907 9.677 -4.368 547 1HD1 LEU 75 1HD1 LEU 75 -2.734 10.508 -6.839 548 2HD1 LEU 75 2HD1 LEU 75 -4.152 11.473 -6.434 549 3HD1 LEU 75 3HD1 LEU 75 -4.217 9.715 -6.310 550 1HD2 LEU 75 1HD2 LEU 75 -1.351 11.538 -5.596 551 2HD2 LEU 75 2HD2 LEU 75 -1.189 11.120 -3.891 552 3HD2 LEU 75 3HD2 LEU 75 -2.121 12.542 -4.367 553 H HIS 76 H HIS 76 -3.973 13.458 -1.572 554 HA HIS 76 HA HIS 76 -6.681 13.207 -0.331 555 1HB HIS 76 2HB HIS 76 -4.560 12.943 1.196 556 2HB HIS 76 1HB HIS 76 -4.400 14.685 0.979 557 HD1 HIS 76 HD1 HIS 76 -7.790 13.075 1.161 558 HD2 HIS 76 HD2 HIS 76 -5.241 15.250 3.638 559 HE1 HIS 76 HE1 HIS 76 -9.157 13.742 3.187 560 H ASP 77 H ASP 77 -6.569 15.932 0.698 561 HA ASP 77 HA ASP 77 -7.512 17.495 -1.386 562 1HB ASP 77 2HB ASP 77 -6.507 17.825 1.294 563 2HB ASP 77 1HB ASP 77 -5.949 19.167 0.298 564 H ASP 78 H ASP 78 -4.171 16.877 -0.459 565 HA ASP 78 HA ASP 78 -3.075 17.334 -3.068 566 1HB ASP 78 2HB ASP 78 -3.862 19.659 -2.230 567 2HB ASP 78 1HB ASP 78 -2.517 19.559 -1.097 568 H MET 79 H MET 79 -2.630 15.270 -1.371 569 HA MET 79 HA MET 79 0.023 15.836 -0.078 570 1HB MET 79 2HB MET 79 -2.402 14.259 0.637 571 2HB MET 79 1HB MET 79 -0.842 13.592 1.121 572 1HG MET 79 2HG MET 79 -1.661 14.991 2.928 573 2HG MET 79 1HG MET 79 -0.291 15.806 2.174 574 1HE MET 79 1HE MET 79 -3.055 18.296 3.504 575 2HE MET 79 2HE MET 79 -1.322 18.430 3.213 576 3HE MET 79 3HE MET 79 -1.960 17.010 4.038 577 H GLU 80 H GLU 80 1.307 13.688 0.131 578 HA GLU 80 HA GLU 80 0.983 11.931 -2.243 579 1HB GLU 80 2HB GLU 80 2.550 13.728 -2.803 580 2HB GLU 80 1HB GLU 80 3.462 13.421 -1.323 581 1HG GLU 80 2HG GLU 80 3.541 10.959 -2.315 582 2HG GLU 80 1HG GLU 80 3.334 11.829 -3.834 583 H SER 81 H SER 81 0.124 10.796 -0.094 584 HA SER 81 HA SER 81 1.509 9.906 2.083 585 1HB SER 81 2HB SER 81 -0.692 9.106 0.587 586 2HB SER 81 1HB SER 81 0.322 7.665 0.623 587 HG SER 81 HG SER 81 -1.199 8.044 2.445 588 H GLN 82 H GLN 82 3.108 8.326 2.555 589 HA GLN 82 HA GLN 82 5.341 8.004 0.992 590 1HB GLN 82 2HB GLN 82 3.996 6.510 3.165 591 2HB GLN 82 1HB GLN 82 5.223 5.604 2.279 592 1HG GLN 82 2HG GLN 82 6.129 6.865 4.259 593 2HG GLN 82 1HG GLN 82 6.892 7.299 2.729 594 1HE2 GLN 82 1HE2 GLN 82 5.369 8.614 5.470 595 2HE2 GLN 82 2HE2 GLN 82 5.032 10.156 4.843 596 HA PRO 83 HA PRO 83 3.842 5.634 -2.423 597 1HB PRO 83 2HB PRO 83 6.276 5.130 -3.569 598 2HB PRO 83 1HB PRO 83 5.453 6.699 -3.688 599 1HG PRO 83 2HG PRO 83 7.680 5.865 -1.895 600 2HG PRO 83 1HG PRO 83 7.416 7.407 -2.728 601 1HD PRO 83 2HD PRO 83 6.882 7.025 -0.076 602 2HD PRO 83 1HD PRO 83 6.023 8.206 -1.090 603 H LEU 84 H LEU 84 3.136 3.771 -1.186 604 HA LEU 84 HA LEU 84 4.871 1.812 -0.036 605 1HB LEU 84 2HB LEU 84 2.487 1.999 0.472 606 2HB LEU 84 1HB LEU 84 2.074 1.665 -1.211 607 HG LEU 84 HG LEU 84 3.190 -0.568 -0.983 608 1HD1 LEU 84 1HD1 LEU 84 4.291 -1.181 0.903 609 2HD1 LEU 84 2HD1 LEU 84 3.052 -0.496 1.954 610 3HD1 LEU 84 3HD1 LEU 84 4.308 0.542 1.280 611 1HD2 LEU 84 1HD2 LEU 84 1.384 -1.228 0.971 612 2HD2 LEU 84 2HD2 LEU 84 0.965 -0.991 -0.725 613 3HD2 LEU 84 3HD2 LEU 84 0.752 0.327 0.428 614 H ILE 85 H ILE 85 6.533 1.122 -1.427 615 HA ILE 85 HA ILE 85 6.173 0.597 -4.223 616 HB ILE 85 HB ILE 85 8.265 1.004 -2.594 617 1HG1 ILE 85 2HG1 ILE 85 9.620 -0.215 -4.506 618 2HG1 ILE 85 1HG1 ILE 85 8.026 -0.373 -5.245 619 1HG2 ILE 85 1HG2 ILE 85 8.490 -1.969 -3.113 620 2HG2 ILE 85 2HG2 ILE 85 7.846 -1.348 -1.594 621 3HG2 ILE 85 3HG2 ILE 85 9.499 -0.961 -2.073 622 1HD1 ILE 85 1HD1 ILE 85 7.864 2.203 -4.575 623 2HD1 ILE 85 2HD1 ILE 85 8.623 1.694 -6.083 624 3HD1 ILE 85 3HD1 ILE 85 9.620 2.090 -4.684 625 H GLY 86 H GLY 86 6.348 -1.501 -5.274 626 1HA GLY 86 2HA GLY 86 5.510 -3.848 -3.654 627 2HA GLY 86 1HA GLY 86 4.523 -3.388 -5.047 628 H THR 87 H THR 87 7.820 -4.323 -4.118 629 HA THR 87 HA THR 87 8.574 -4.803 -6.919 630 HB THR 87 HB THR 87 10.084 -5.524 -4.409 631 HG1 THR 87 HG1 THR 87 9.454 -3.055 -5.525 632 1HG2 THR 87 1HG2 THR 87 12.026 -5.188 -5.797 633 2HG2 THR 87 2HG2 THR 87 11.036 -4.545 -7.108 634 3HG2 THR 87 3HG2 THR 87 10.921 -6.250 -6.670 635 H GLN 88 H GLN 88 8.836 -6.808 -7.872 636 HA GLN 88 HA GLN 88 8.802 -9.320 -6.432 637 1HB GLN 88 2HB GLN 88 6.325 -8.011 -6.890 638 2HB GLN 88 1HB GLN 88 6.392 -9.368 -8.015 639 1HG GLN 88 2HG GLN 88 6.829 -9.511 -5.017 640 2HG GLN 88 1HG GLN 88 5.416 -10.103 -5.892 641 1HE2 GLN 88 1HE2 GLN 88 5.958 -11.807 -7.658 642 2HE2 GLN 88 2HE2 GLN 88 7.193 -12.916 -7.302 643 H SER 89 H SER 89 9.667 -10.870 -7.820 644 HA SER 89 HA SER 89 10.521 -10.105 -10.472 645 1HB SER 89 2HB SER 89 10.335 -12.932 -9.464 646 2HB SER 89 1HB SER 89 11.609 -12.187 -10.427 647 HG SER 89 HG SER 89 11.477 -12.449 -7.797 648 H THR 90 H THR 90 9.114 -9.948 -12.169 649 HA THR 90 HA THR 90 6.528 -11.257 -12.238 650 HB THR 90 HB THR 90 7.764 -10.266 -14.738 651 HG1 THR 90 HG1 THR 90 8.682 -8.658 -13.764 652 1HG2 THR 90 1HG2 THR 90 5.668 -9.371 -15.082 653 2HG2 THR 90 2HG2 THR 90 5.410 -9.045 -13.368 654 3HG2 THR 90 3HG2 THR 90 5.254 -10.689 -13.985 655 H ALA 91 H ALA 91 6.019 -13.246 -13.113 656 HA ALA 91 HA ALA 91 7.939 -15.218 -13.763 657 1HB ALA 91 1HB ALA 91 5.034 -14.788 -14.493 658 2HB ALA 91 2HB ALA 91 5.685 -15.806 -13.209 659 3HB ALA 91 3HB ALA 91 5.893 -16.275 -14.896 660 H ILE 92 H ILE 92 7.316 -16.276 -16.246 661 HA ILE 92 HA ILE 92 7.854 -14.093 -18.213 662 HB ILE 92 HB ILE 92 9.849 -15.095 -18.969 663 1HG1 ILE 92 2HG1 ILE 92 8.946 -17.375 -19.230 664 2HG1 ILE 92 1HG1 ILE 92 10.504 -17.418 -18.404 665 1HG2 ILE 92 1HG2 ILE 92 10.025 -15.972 -16.096 666 2HG2 ILE 92 2HG2 ILE 92 9.835 -14.262 -16.487 667 3HG2 ILE 92 3HG2 ILE 92 11.235 -15.153 -17.085 668 1HD1 ILE 92 1HD1 ILE 92 7.758 -17.879 -17.293 669 2HD1 ILE 92 2HD1 ILE 92 9.025 -17.255 -16.235 670 3HD1 ILE 92 3HD1 ILE 92 9.235 -18.809 -17.041 671 HA PRO 93 HA PRO 93 5.238 -16.461 -20.805 672 1HB PRO 93 2HB PRO 93 6.200 -15.821 -23.278 673 2HB PRO 93 1HB PRO 93 5.307 -14.671 -22.263 674 1HG PRO 93 2HG PRO 93 8.209 -14.836 -22.821 675 2HG PRO 93 1HG PRO 93 7.204 -13.426 -22.455 676 1HD PRO 93 2HD PRO 93 8.907 -14.739 -20.661 677 2HD PRO 93 1HD PRO 93 7.628 -13.581 -20.234 678 H ALA 94 H ALA 94 5.468 -18.692 -20.783 679 HA ALA 94 HA ALA 94 7.963 -20.040 -21.397 680 1HB ALA 94 1HB ALA 94 6.624 -21.232 -19.935 681 2HB ALA 94 2HB ALA 94 6.130 -21.995 -21.447 682 3HB ALA 94 3HB ALA 94 5.133 -20.728 -20.732 Start of MODEL 11 1 1H ASN 1 1H ASN 1 -7.562 14.291 5.045 2 2H ASN 1 2H ASN 1 -6.501 15.176 4.058 3 3H ASN 1 3H ASN 1 -6.850 15.715 5.630 4 HA ASN 1 HA ASN 1 -4.620 14.492 5.204 5 1HB ASN 1 2HB ASN 1 -6.083 15.179 7.329 6 2HB ASN 1 1HB ASN 1 -6.251 13.428 7.481 7 1HD2 ASN 1 1HD2 ASN 1 -3.581 15.760 6.747 8 2HD2 ASN 1 2HD2 ASN 1 -2.446 14.993 7.749 9 H ILE 2 H ILE 2 -3.904 12.601 4.267 10 HA ILE 2 HA ILE 2 -5.787 10.398 3.767 11 HB ILE 2 HB ILE 2 -3.872 11.399 2.276 12 1HG1 ILE 2 2HG1 ILE 2 -3.424 8.598 1.968 13 2HG1 ILE 2 1HG1 ILE 2 -5.097 8.816 2.482 14 1HG2 ILE 2 1HG2 ILE 2 -2.133 9.248 3.289 15 2HG2 ILE 2 2HG2 ILE 2 -2.319 10.604 4.402 16 3HG2 ILE 2 3HG2 ILE 2 -1.716 10.879 2.768 17 1HD1 ILE 2 1HD1 ILE 2 -5.685 9.660 0.475 18 2HD1 ILE 2 2HD1 ILE 2 -4.095 9.173 -0.112 19 3HD1 ILE 2 3HD1 ILE 2 -4.345 10.807 0.502 20 H ASP 3 H ASP 3 -5.036 8.103 4.335 21 HA ASP 3 HA ASP 3 -4.017 8.095 7.132 22 1HB ASP 3 2HB ASP 3 -6.297 7.220 6.460 23 2HB ASP 3 1HB ASP 3 -5.456 5.930 5.600 24 H ARG 4 H ARG 4 -2.975 7.374 3.981 25 HA ARG 4 HA ARG 4 -1.104 6.265 3.158 26 1HB ARG 4 2HB ARG 4 -0.479 6.513 6.106 27 2HB ARG 4 1HB ARG 4 0.686 5.939 4.920 28 1HG ARG 4 2HG ARG 4 0.865 8.005 3.884 29 2HG ARG 4 1HG ARG 4 -0.749 8.507 4.382 30 1HD ARG 4 2HD ARG 4 1.399 8.059 6.455 31 2HD ARG 4 1HD ARG 4 1.283 9.603 5.587 32 HE ARG 4 HE ARG 4 -1.161 9.625 6.338 33 1HH1 ARG 4 1HH2 ARG 4 0.396 6.994 7.702 34 2HH1 ARG 4 2HH2 ARG 4 -0.037 7.355 9.340 35 1HH2 ARG 4 1HH1 ARG 4 -1.350 10.474 8.587 36 2HH2 ARG 4 2HH1 ARG 4 -1.023 9.324 9.840 37 HA PRO 5 HA PRO 5 -2.315 2.055 3.601 38 1HB PRO 5 2HB PRO 5 -0.283 0.972 2.106 39 2HB PRO 5 1HB PRO 5 -1.686 1.797 1.394 40 1HG PRO 5 2HG PRO 5 1.053 2.866 1.930 41 2HG PRO 5 1HG PRO 5 0.023 3.079 0.507 42 1HD PRO 5 2HD PRO 5 0.268 4.982 2.374 43 2HD PRO 5 1HD PRO 5 -1.264 4.697 1.512 44 H LYS 6 H LYS 6 -0.905 -0.120 4.060 45 HA LYS 6 HA LYS 6 1.176 0.521 6.113 46 1HB LYS 6 2HB LYS 6 -1.253 -1.283 6.347 47 2HB LYS 6 1HB LYS 6 0.035 -1.199 7.549 48 1HG LYS 6 2HG LYS 6 -0.399 1.290 7.706 49 2HG LYS 6 1HG LYS 6 -1.829 1.032 6.706 50 1HD LYS 6 2HD LYS 6 -2.974 -0.069 8.374 51 2HD LYS 6 1HD LYS 6 -1.503 -0.732 9.087 52 1HE LYS 6 2HE LYS 6 -0.991 1.304 10.209 53 2HE LYS 6 1HE LYS 6 -2.136 2.227 9.214 54 1HZ LYS 6 1HZ LYS 6 -3.911 0.740 10.098 55 2HZ LYS 6 2HZ LYS 6 -3.213 1.756 11.269 56 3HZ LYS 6 3HZ LYS 6 -2.780 0.115 11.197 57 H GLY 7 H GLY 7 -0.373 -2.120 4.229 58 1HA GLY 7 2HA GLY 7 2.267 -3.154 3.488 59 2HA GLY 7 1HA GLY 7 1.378 -4.209 4.585 60 H LEU 8 H LEU 8 1.862 -3.425 1.347 61 HA LEU 8 HA LEU 8 -0.732 -4.017 0.245 62 1HB LEU 8 2HB LEU 8 0.369 -3.618 -1.753 63 2HB LEU 8 1HB LEU 8 1.567 -2.931 -0.662 64 HG LEU 8 HG LEU 8 2.333 -5.558 -0.661 65 1HD1 LEU 8 1HD1 LEU 8 0.828 -4.981 -3.174 66 2HD1 LEU 8 2HD1 LEU 8 1.022 -6.503 -2.306 67 3HD1 LEU 8 3HD1 LEU 8 2.331 -5.892 -3.317 68 1HD2 LEU 8 1HD2 LEU 8 3.850 -4.664 -2.686 69 2HD2 LEU 8 2HD2 LEU 8 4.055 -4.064 -1.040 70 3HD2 LEU 8 3HD2 LEU 8 3.126 -3.127 -2.210 71 H ALA 9 H ALA 9 -1.300 -6.010 -0.958 72 HA ALA 9 HA ALA 9 0.057 -8.451 0.148 73 1HB ALA 9 1HB ALA 9 -2.813 -7.633 -0.181 74 2HB ALA 9 2HB ALA 9 -2.030 -8.410 1.194 75 3HB ALA 9 3HB ALA 9 -2.404 -9.347 -0.251 76 H PHE 10 H PHE 10 -0.042 -10.344 -1.306 77 HA PHE 10 HA PHE 10 -0.168 -9.536 -4.190 78 1HB PHE 10 2HB PHE 10 1.446 -11.534 -2.600 79 2HB PHE 10 1HB PHE 10 1.358 -11.613 -4.361 80 HD1 PHE 10 HD1 PHE 10 1.394 -8.914 -5.287 81 HD2 PHE 10 HD2 PHE 10 3.486 -10.611 -1.942 82 HE1 PHE 10 HE1 PHE 10 3.108 -7.131 -5.456 83 HE2 PHE 10 HE2 PHE 10 5.202 -8.828 -2.111 84 HZ PHE 10 HZ PHE 10 5.012 -7.087 -3.868 85 H THR 11 H THR 11 -2.047 -10.267 -5.120 86 HA THR 11 HA THR 11 -3.390 -12.678 -4.053 87 HB THR 11 HB THR 11 -4.066 -10.519 -6.066 88 HG1 THR 11 HG1 THR 11 -4.592 -11.054 -3.391 89 1HG2 THR 11 1HG2 THR 11 -6.069 -11.548 -6.571 90 2HG2 THR 11 2HG2 THR 11 -6.101 -12.461 -5.064 91 3HG2 THR 11 3HG2 THR 11 -5.043 -12.966 -6.378 92 H ASP 12 H ASP 12 -2.272 -11.447 -7.233 93 HA ASP 12 HA ASP 12 -1.501 -14.193 -8.010 94 1HB ASP 12 2HB ASP 12 -3.919 -13.937 -8.525 95 2HB ASP 12 1HB ASP 12 -3.542 -12.525 -9.513 96 H VAL 13 H VAL 13 0.576 -13.788 -8.690 97 HA VAL 13 HA VAL 13 1.142 -11.278 -10.200 98 HB VAL 13 HB VAL 13 2.386 -12.054 -8.090 99 1HG1 VAL 13 1HG1 VAL 13 2.464 -14.466 -9.123 100 2HG1 VAL 13 2HG1 VAL 13 3.845 -13.879 -8.198 101 3HG1 VAL 13 3HG1 VAL 13 3.894 -13.864 -9.961 102 1HG2 VAL 13 1HG2 VAL 13 3.318 -10.337 -9.543 103 2HG2 VAL 13 2HG2 VAL 13 3.906 -11.559 -10.669 104 3HG2 VAL 13 3HG2 VAL 13 4.611 -11.433 -9.057 105 H ASP 14 H ASP 14 1.415 -11.429 -12.405 106 HA ASP 14 HA ASP 14 2.250 -14.072 -13.549 107 1HB ASP 14 2HB ASP 14 -0.265 -13.409 -13.621 108 2HB ASP 14 1HB ASP 14 0.236 -12.244 -14.848 109 H VAL 15 H VAL 15 3.369 -13.873 -15.614 110 HA VAL 15 HA VAL 15 5.251 -11.775 -15.807 111 HB VAL 15 HB VAL 15 5.700 -13.850 -16.860 112 1HG1 VAL 15 1HG1 VAL 15 3.938 -15.106 -17.487 113 2HG1 VAL 15 2HG1 VAL 15 3.846 -14.131 -18.953 114 3HG1 VAL 15 3HG1 VAL 15 2.885 -13.693 -17.541 115 1HG2 VAL 15 1HG2 VAL 15 6.367 -13.191 -18.988 116 2HG2 VAL 15 2HG2 VAL 15 6.121 -11.632 -18.201 117 3HG2 VAL 15 3HG2 VAL 15 4.887 -12.279 -19.280 118 H ASP 16 H ASP 16 1.972 -11.982 -17.065 119 HA ASP 16 HA ASP 16 2.386 -9.344 -18.444 120 1HB ASP 16 2HB ASP 16 1.818 -11.526 -19.729 121 2HB ASP 16 1HB ASP 16 0.207 -11.347 -19.032 122 H SER 17 H SER 17 1.567 -9.936 -15.562 123 HA SER 17 HA SER 17 -0.409 -7.903 -15.258 124 1HB SER 17 2HB SER 17 -1.923 -9.394 -16.368 125 2HB SER 17 1HB SER 17 -1.377 -10.769 -15.413 126 HG SER 17 HG SER 17 -3.428 -9.475 -14.849 127 H ILE 18 H ILE 18 -0.497 -7.332 -13.095 128 HA ILE 18 HA ILE 18 0.469 -9.343 -11.091 129 HB ILE 18 HB ILE 18 1.122 -6.385 -11.273 130 1HG1 ILE 18 2HG1 ILE 18 2.145 -8.004 -13.006 131 2HG1 ILE 18 1HG1 ILE 18 3.266 -7.006 -12.085 132 1HG2 ILE 18 1HG2 ILE 18 1.550 -6.667 -9.068 133 2HG2 ILE 18 2HG2 ILE 18 2.950 -7.600 -9.598 134 3HG2 ILE 18 3HG2 ILE 18 1.447 -8.424 -9.186 135 1HD1 ILE 18 1HD1 ILE 18 3.940 -9.433 -12.244 136 2HD1 ILE 18 2HD1 ILE 18 2.502 -9.833 -11.305 137 3HD1 ILE 18 3HD1 ILE 18 3.773 -8.841 -10.591 138 H LYS 19 H LYS 19 -1.507 -9.758 -10.080 139 HA LYS 19 HA LYS 19 -3.423 -7.610 -9.489 140 1HB LYS 19 2HB LYS 19 -3.381 -10.427 -9.765 141 2HB LYS 19 1HB LYS 19 -3.836 -10.114 -8.091 142 1HG LYS 19 2HG LYS 19 -5.861 -9.280 -8.676 143 2HG LYS 19 1HG LYS 19 -5.180 -8.341 -10.008 144 1HD LYS 19 2HD LYS 19 -5.528 -10.007 -11.544 145 2HD LYS 19 1HD LYS 19 -5.214 -11.290 -10.373 146 1HE LYS 19 2HE LYS 19 -7.415 -11.392 -9.693 147 2HE LYS 19 1HE LYS 19 -7.673 -9.653 -9.936 148 1HZ LYS 19 1HZ LYS 19 -7.605 -9.973 -12.308 149 2HZ LYS 19 2HZ LYS 19 -8.782 -11.006 -11.649 150 3HZ LYS 19 3HZ LYS 19 -7.272 -11.624 -12.121 151 H ILE 20 H ILE 20 -3.214 -6.320 -7.675 152 HA ILE 20 HA ILE 20 -2.031 -7.539 -5.217 153 HB ILE 20 HB ILE 20 -0.509 -5.647 -5.006 154 1HG1 ILE 20 2HG1 ILE 20 -1.376 -4.651 -7.711 155 2HG1 ILE 20 1HG1 ILE 20 -2.245 -4.132 -6.266 156 1HG2 ILE 20 1HG2 ILE 20 1.001 -6.266 -6.696 157 2HG2 ILE 20 2HG2 ILE 20 -0.280 -6.497 -7.886 158 3HG2 ILE 20 3HG2 ILE 20 -0.057 -7.673 -6.590 159 1HD1 ILE 20 1HD1 ILE 20 -0.302 -3.137 -5.325 160 2HD1 ILE 20 2HD1 ILE 20 -0.290 -2.649 -7.019 161 3HD1 ILE 20 3HD1 ILE 20 0.762 -3.953 -6.469 162 H ALA 21 H ALA 21 -2.640 -6.443 -3.265 163 HA ALA 21 HA ALA 21 -4.819 -4.407 -3.551 164 1HB ALA 21 1HB ALA 21 -4.688 -6.811 -1.700 165 2HB ALA 21 2HB ALA 21 -5.684 -6.702 -3.150 166 3HB ALA 21 3HB ALA 21 -6.009 -5.646 -1.776 167 H TRP 22 H TRP 22 -3.985 -2.577 -2.586 168 HA TRP 22 HA TRP 22 -2.018 -2.843 -0.386 169 1HB TRP 22 2HB TRP 22 -1.875 -0.363 -0.713 170 2HB TRP 22 1HB TRP 22 -1.599 -1.271 -2.198 171 HD1 TRP 22 HD1 TRP 22 -4.511 0.492 -0.379 172 HE1 TRP 22 HE1 TRP 22 -6.104 1.454 -2.160 173 HE3 TRP 22 HE3 TRP 22 -2.228 -1.225 -4.596 174 HZ2 TRP 22 HZ2 TRP 22 -6.369 1.487 -5.003 175 HZ3 TRP 22 HZ3 TRP 22 -3.165 -0.711 -6.830 176 HH2 TRP 22 HH2 TRP 22 -5.237 0.641 -7.040 177 H GLU 23 H GLU 23 -2.420 -2.203 1.739 178 HA GLU 23 HA GLU 23 -4.852 -2.490 2.994 179 1HB GLU 23 2HB GLU 23 -2.293 -1.185 3.485 180 2HB GLU 23 1HB GLU 23 -3.603 -0.391 4.357 181 1HG GLU 23 2HG GLU 23 -3.540 -3.372 4.401 182 2HG GLU 23 1HG GLU 23 -2.327 -2.523 5.358 183 H SER 24 H SER 24 -6.668 -1.172 3.417 184 HA SER 24 HA SER 24 -7.132 1.043 1.543 185 1HB SER 24 2HB SER 24 -9.008 0.311 3.739 186 2HB SER 24 1HB SER 24 -9.349 0.639 2.043 187 HG SER 24 HG SER 24 -8.769 -1.713 3.303 188 HA PRO 25 HA PRO 25 -6.140 4.240 4.419 189 1HB PRO 25 2HB PRO 25 -7.399 6.306 3.160 190 2HB PRO 25 1HB PRO 25 -5.884 5.599 2.568 191 1HG PRO 25 2HG PRO 25 -8.656 5.218 1.584 192 2HG PRO 25 1HG PRO 25 -7.130 5.249 0.687 193 1HD PRO 25 2HD PRO 25 -8.520 2.953 1.369 194 2HD PRO 25 1HD PRO 25 -6.793 3.013 0.954 195 H GLN 26 H GLN 26 -7.483 6.136 5.516 196 HA GLN 26 HA GLN 26 -9.467 5.083 7.193 197 1HB GLN 26 2HB GLN 26 -10.052 7.584 7.419 198 2HB GLN 26 1HB GLN 26 -8.374 7.134 7.722 199 1HG GLN 26 2HG GLN 26 -7.663 8.422 6.020 200 2HG GLN 26 1HG GLN 26 -8.761 7.612 4.902 201 1HE2 GLN 26 1HE2 GLN 26 -8.066 10.642 5.977 202 2HE2 GLN 26 2HE2 GLN 26 -9.603 11.355 5.881 203 H GLY 27 H GLY 27 -9.737 6.343 3.935 204 1HA GLY 27 2HA GLY 27 -11.816 5.293 2.795 205 2HA GLY 27 1HA GLY 27 -12.709 6.103 4.084 206 H GLN 28 H GLN 28 -12.138 8.548 4.267 207 HA GLN 28 HA GLN 28 -12.981 9.960 2.023 208 1HB GLN 28 2HB GLN 28 -12.298 10.553 4.558 209 2HB GLN 28 1HB GLN 28 -10.875 11.191 3.736 210 1HG GLN 28 2HG GLN 28 -12.178 12.680 2.413 211 2HG GLN 28 1HG GLN 28 -13.680 11.857 2.836 212 1HE2 GLN 28 1HE2 GLN 28 -11.065 13.873 4.246 213 2HE2 GLN 28 2HE2 GLN 28 -12.009 14.478 5.520 214 H VAL 29 H VAL 29 -12.068 9.739 -0.003 215 HA VAL 29 HA VAL 29 -9.197 10.439 -0.306 216 HB VAL 29 HB VAL 29 -10.523 7.826 -1.041 217 1HG1 VAL 29 1HG1 VAL 29 -8.166 9.203 -2.296 218 2HG1 VAL 29 2HG1 VAL 29 -9.443 8.263 -3.066 219 3HG1 VAL 29 3HG1 VAL 29 -8.171 7.446 -2.159 220 1HG2 VAL 29 1HG2 VAL 29 -8.053 7.250 -0.093 221 2HG2 VAL 29 2HG2 VAL 29 -9.462 7.428 0.953 222 3HG2 VAL 29 3HG2 VAL 29 -8.344 8.775 0.744 223 H SER 30 H SER 30 -8.767 11.379 -2.339 224 HA SER 30 HA SER 30 -11.177 11.914 -4.024 225 1HB SER 30 2HB SER 30 -9.492 13.623 -2.832 226 2HB SER 30 1HB SER 30 -8.587 13.369 -4.321 227 HG SER 30 HG SER 30 -10.838 13.726 -5.280 228 H ARG 31 H ARG 31 -8.317 10.076 -3.957 229 HA ARG 31 HA ARG 31 -8.674 8.911 -6.521 230 1HB ARG 31 2HB ARG 31 -7.724 11.557 -6.610 231 2HB ARG 31 1HB ARG 31 -6.319 10.547 -6.945 232 1HG ARG 31 2HG ARG 31 -7.161 9.794 -8.929 233 2HG ARG 31 1HG ARG 31 -8.816 9.747 -8.320 234 1HD ARG 31 2HD ARG 31 -9.272 11.814 -9.148 235 2HD ARG 31 1HD ARG 31 -7.763 12.480 -8.491 236 HE ARG 31 HE ARG 31 -8.085 11.251 -11.156 237 1HH1 ARG 31 1HH2 ARG 31 -6.563 13.760 -9.863 238 2HH1 ARG 31 2HH2 ARG 31 -4.951 13.347 -10.341 239 1HH2 ARG 31 1HH1 ARG 31 -5.764 10.103 -11.252 240 2HH2 ARG 31 2HH1 ARG 31 -4.498 11.278 -11.125 241 H TYR 32 H TYR 32 -6.394 7.959 -7.297 242 HA TYR 32 HA TYR 32 -4.495 7.490 -5.090 243 1HB TYR 32 2HB TYR 32 -6.636 5.974 -4.959 244 2HB TYR 32 1HB TYR 32 -5.889 5.110 -6.301 245 HD1 TYR 32 HD1 TYR 32 -6.063 5.381 -2.772 246 HD2 TYR 32 HD2 TYR 32 -3.338 4.500 -5.974 247 HE1 TYR 32 HE1 TYR 32 -4.580 4.184 -1.182 248 HE2 TYR 32 HE2 TYR 32 -1.858 3.306 -4.385 249 HH TYR 32 HH TYR 32 -2.136 3.579 -1.051 250 H ARG 33 H ARG 33 -2.620 7.803 -6.249 251 HA ARG 33 HA ARG 33 -2.476 7.132 -9.101 252 1HB ARG 33 2HB ARG 33 -1.456 9.138 -7.914 253 2HB ARG 33 1HB ARG 33 -0.281 8.018 -7.217 254 1HG ARG 33 2HG ARG 33 0.646 7.490 -9.319 255 2HG ARG 33 1HG ARG 33 -0.758 8.105 -10.192 256 1HD ARG 33 2HD ARG 33 0.510 9.987 -10.483 257 2HD ARG 33 1HD ARG 33 0.091 10.340 -8.795 258 HE ARG 33 HE ARG 33 2.175 8.882 -8.249 259 1HH1 ARG 33 1HH1 ARG 33 2.403 8.964 -11.447 260 2HH1 ARG 33 2HH1 ARG 33 3.807 9.970 -11.574 261 1HH2 ARG 33 1HH2 ARG 33 3.722 10.968 -8.255 262 2HH2 ARG 33 2HH2 ARG 33 4.553 11.105 -9.769 263 H VAL 34 H VAL 34 -1.288 5.445 -9.997 264 HA VAL 34 HA VAL 34 0.133 3.589 -8.135 265 HB VAL 34 HB VAL 34 -2.011 2.969 -10.186 266 1HG1 VAL 34 1HG1 VAL 34 -1.108 0.698 -8.645 267 2HG1 VAL 34 2HG1 VAL 34 0.249 1.413 -9.515 268 3HG1 VAL 34 3HG1 VAL 34 -1.185 0.885 -10.396 269 1HG2 VAL 34 1HG2 VAL 34 -3.144 1.970 -8.221 270 2HG2 VAL 34 2HG2 VAL 34 -2.817 3.685 -7.970 271 3HG2 VAL 34 3HG2 VAL 34 -1.798 2.471 -7.199 272 H THR 35 H THR 35 2.194 4.052 -8.976 273 HA THR 35 HA THR 35 2.518 3.782 -11.947 274 HB THR 35 HB THR 35 4.844 4.854 -10.943 275 HG1 THR 35 HG1 THR 35 4.372 6.105 -9.255 276 1HG2 THR 35 1HG2 THR 35 3.823 5.884 -12.792 277 2HG2 THR 35 2HG2 THR 35 3.658 7.095 -11.519 278 3HG2 THR 35 3HG2 THR 35 2.285 6.076 -11.951 279 H TYR 36 H TYR 36 4.131 2.360 -12.735 280 HA TYR 36 HA TYR 36 5.452 0.642 -10.675 281 1HB TYR 36 2HB TYR 36 5.064 -1.063 -12.795 282 2HB TYR 36 1HB TYR 36 3.993 -0.962 -11.402 283 HD1 TYR 36 HD1 TYR 36 2.107 0.898 -11.556 284 HD2 TYR 36 HD2 TYR 36 4.189 -0.745 -14.938 285 HE1 TYR 36 HE1 TYR 36 0.251 1.602 -13.041 286 HE2 TYR 36 HE2 TYR 36 2.333 -0.037 -16.422 287 HH TYR 36 HH TYR 36 -0.043 0.500 -16.263 288 H SER 37 H SER 37 7.621 0.451 -10.965 289 HA SER 37 HA SER 37 8.751 1.423 -13.566 290 1HB SER 37 2HB SER 37 10.353 2.479 -12.313 291 2HB SER 37 1HB SER 37 9.122 2.373 -11.059 292 HG SER 37 HG SER 37 11.078 1.533 -10.303 293 H SER 38 H SER 38 10.612 0.279 -14.407 294 HA SER 38 HA SER 38 11.128 -2.425 -13.259 295 1HB SER 38 2HB SER 38 9.751 -1.694 -15.749 296 2HB SER 38 1HB SER 38 11.059 -2.850 -15.986 297 HG SER 38 HG SER 38 10.004 -4.295 -14.821 298 HA PRO 39 HA PRO 39 15.212 -1.035 -14.242 299 1HB PRO 39 2HB PRO 39 16.520 -3.377 -13.693 300 2HB PRO 39 1HB PRO 39 15.933 -2.275 -12.429 301 1HG PRO 39 2HG PRO 39 14.732 -4.808 -13.436 302 2HG PRO 39 1HG PRO 39 14.806 -4.171 -11.785 303 1HD PRO 39 2HD PRO 39 12.572 -4.032 -13.357 304 2HD PRO 39 1HD PRO 39 12.941 -2.868 -12.064 305 H GLU 40 H GLU 40 13.992 -1.272 -16.564 306 HA GLU 40 HA GLU 40 15.885 -2.434 -18.370 307 1HB GLU 40 2HB GLU 40 14.045 -4.230 -17.132 308 2HB GLU 40 1HB GLU 40 13.606 -4.104 -18.836 309 1HG GLU 40 2HG GLU 40 16.344 -4.258 -18.979 310 2HG GLU 40 1HG GLU 40 15.996 -5.301 -17.599 311 H ASP 41 H ASP 41 12.291 -2.274 -18.285 312 HA ASP 41 HA ASP 41 12.283 -0.941 -20.923 313 1HB ASP 41 2HB ASP 41 10.169 -1.917 -18.985 314 2HB ASP 41 1HB ASP 41 9.779 -1.138 -20.519 315 H GLY 42 H GLY 42 11.850 -0.106 -17.538 316 1HA GLY 42 2HA GLY 42 12.352 2.335 -17.064 317 2HA GLY 42 1HA GLY 42 11.232 2.698 -18.379 318 H ILE 43 H ILE 43 9.635 3.771 -17.178 319 HA ILE 43 HA ILE 43 8.174 2.070 -15.197 320 HB ILE 43 HB ILE 43 9.730 3.823 -14.219 321 1HG1 ILE 43 2HG1 ILE 43 6.758 4.166 -13.694 322 2HG1 ILE 43 1HG1 ILE 43 7.776 2.918 -12.984 323 1HG2 ILE 43 1HG2 ILE 43 9.357 6.090 -14.572 324 2HG2 ILE 43 2HG2 ILE 43 7.667 5.848 -15.015 325 3HG2 ILE 43 3HG2 ILE 43 8.945 5.441 -16.160 326 1HD1 ILE 43 1HD1 ILE 43 8.991 5.513 -12.615 327 2HD1 ILE 43 2HD1 ILE 43 8.508 4.334 -11.395 328 3HD1 ILE 43 3HD1 ILE 43 7.343 5.518 -11.989 329 H HIS 44 H HIS 44 5.897 2.737 -14.915 330 HA HIS 44 HA HIS 44 4.793 4.332 -17.208 331 1HB HIS 44 2HB HIS 44 4.682 1.560 -16.829 332 2HB HIS 44 1HB HIS 44 3.105 2.138 -16.293 333 HD1 HIS 44 HD1 HIS 44 5.430 2.527 -19.296 334 HD2 HIS 44 HD2 HIS 44 1.367 2.678 -18.377 335 HE1 HIS 44 HE1 HIS 44 4.206 2.809 -21.497 336 H GLU 45 H GLU 45 2.446 5.006 -16.693 337 HA GLU 45 HA GLU 45 2.138 5.470 -13.742 338 1HB GLU 45 2HB GLU 45 1.272 7.300 -15.992 339 2HB GLU 45 1HB GLU 45 1.415 7.695 -14.279 340 1HG GLU 45 2HG GLU 45 3.836 7.429 -14.373 341 2HG GLU 45 1HG GLU 45 3.741 6.897 -16.051 342 H LEU 46 H LEU 46 0.099 5.133 -12.890 343 HA LEU 46 HA LEU 46 -2.192 4.638 -14.739 344 1HB LEU 46 2HB LEU 46 -0.938 2.512 -14.155 345 2HB LEU 46 1HB LEU 46 -1.371 2.799 -12.470 346 HG LEU 46 HG LEU 46 -3.722 3.065 -14.104 347 1HD1 LEU 46 1HD1 LEU 46 -3.605 0.420 -14.544 348 2HD1 LEU 46 2HD1 LEU 46 -1.896 0.809 -14.736 349 3HD1 LEU 46 3HD1 LEU 46 -3.098 1.602 -15.751 350 1HD2 LEU 46 1HD2 LEU 46 -3.438 0.664 -12.425 351 2HD2 LEU 46 2HD2 LEU 46 -4.613 1.973 -12.318 352 3HD2 LEU 46 3HD2 LEU 46 -3.017 2.160 -11.591 353 H PHE 47 H PHE 47 -4.293 4.707 -13.496 354 HA PHE 47 HA PHE 47 -4.203 5.701 -10.734 355 1HB PHE 47 2HB PHE 47 -5.139 7.908 -11.341 356 2HB PHE 47 1HB PHE 47 -3.562 7.658 -12.089 357 HD1 PHE 47 HD1 PHE 47 -7.009 8.440 -12.674 358 HD2 PHE 47 HD2 PHE 47 -3.534 6.681 -14.490 359 HE1 PHE 47 HE1 PHE 47 -8.013 8.772 -14.918 360 HE2 PHE 47 HE2 PHE 47 -4.538 7.014 -16.732 361 HZ PHE 47 HZ PHE 47 -6.778 8.059 -16.947 362 HA PRO 48 HA PRO 48 -8.177 3.765 -11.851 363 1HB PRO 48 2HB PRO 48 -8.177 1.899 -9.861 364 2HB PRO 48 1HB PRO 48 -7.373 1.636 -11.421 365 1HG PRO 48 2HG PRO 48 -6.200 2.231 -8.779 366 2HG PRO 48 1HG PRO 48 -5.502 1.376 -10.160 367 1HD PRO 48 2HD PRO 48 -4.990 4.047 -9.392 368 2HD PRO 48 1HD PRO 48 -4.488 3.259 -10.902 369 H ALA 49 H ALA 49 -8.553 6.072 -10.909 370 HA ALA 49 HA ALA 49 -8.881 6.935 -8.362 371 1HB ALA 49 1HB ALA 49 -9.600 8.143 -10.342 372 2HB ALA 49 2HB ALA 49 -10.951 8.058 -9.211 373 3HB ALA 49 3HB ALA 49 -10.905 6.987 -10.610 374 HA PRO 50 HA PRO 50 -11.353 3.626 -6.634 375 1HB PRO 50 2HB PRO 50 -10.945 4.317 -4.026 376 2HB PRO 50 1HB PRO 50 -9.752 3.421 -4.986 377 1HG PRO 50 2HG PRO 50 -9.784 6.280 -4.206 378 2HG PRO 50 1HG PRO 50 -8.415 5.186 -4.445 379 1HD PRO 50 2HD PRO 50 -9.274 7.104 -6.265 380 2HD PRO 50 1HD PRO 50 -8.240 5.711 -6.650 381 H ASP 51 H ASP 51 -13.344 3.591 -5.361 382 HA ASP 51 HA ASP 51 -14.869 6.121 -5.629 383 1HB ASP 51 2HB ASP 51 -15.647 3.960 -6.585 384 2HB ASP 51 1HB ASP 51 -15.692 3.284 -4.956 385 H GLY 52 H GLY 52 -14.770 3.493 -3.184 386 1HA GLY 52 2HA GLY 52 -14.179 5.291 -1.002 387 2HA GLY 52 1HA GLY 52 -15.903 4.924 -1.058 388 H GLU 53 H GLU 53 -13.570 2.540 -2.130 389 HA GLU 53 HA GLU 53 -13.322 1.165 0.409 390 1HB GLU 53 2HB GLU 53 -15.618 0.663 0.172 391 2HB GLU 53 1HB GLU 53 -15.476 0.452 -1.574 392 1HG GLU 53 2HG GLU 53 -14.626 -1.680 -1.388 393 2HG GLU 53 1HG GLU 53 -13.871 -1.356 0.171 394 H GLU 54 H GLU 54 -13.685 0.318 -3.052 395 HA GLU 54 HA GLU 54 -11.917 -1.787 -3.316 396 1HB GLU 54 2HB GLU 54 -12.776 0.518 -4.981 397 2HB GLU 54 1HB GLU 54 -11.357 -0.361 -5.553 398 1HG GLU 54 2HG GLU 54 -12.540 -2.391 -5.747 399 2HG GLU 54 1HG GLU 54 -13.846 -1.831 -4.702 400 H ASP 55 H ASP 55 -9.745 -2.089 -3.082 401 HA ASP 55 HA ASP 55 -7.941 0.291 -3.019 402 1HB ASP 55 2HB ASP 55 -8.737 -1.540 -0.854 403 2HB ASP 55 1HB ASP 55 -6.991 -1.355 -1.015 404 H THR 56 H THR 56 -8.599 -2.344 -4.654 405 HA THR 56 HA THR 56 -5.759 -3.332 -4.788 406 HB THR 56 HB THR 56 -6.784 -5.434 -5.553 407 HG1 THR 56 HG1 THR 56 -9.201 -5.389 -5.312 408 1HG2 THR 56 1HG2 THR 56 -7.432 -6.094 -3.454 409 2HG2 THR 56 2HG2 THR 56 -8.515 -4.719 -3.245 410 3HG2 THR 56 3HG2 THR 56 -6.777 -4.513 -3.032 411 H ALA 57 H ALA 57 -5.062 -3.971 -7.033 412 HA ALA 57 HA ALA 57 -6.588 -2.666 -9.233 413 1HB ALA 57 1HB ALA 57 -3.737 -2.067 -9.330 414 2HB ALA 57 2HB ALA 57 -4.488 -1.458 -7.857 415 3HB ALA 57 3HB ALA 57 -5.110 -0.966 -9.430 416 H GLU 58 H GLU 58 -5.899 -3.394 -11.353 417 HA GLU 58 HA GLU 58 -4.421 -6.001 -11.300 418 1HB GLU 58 2HB GLU 58 -6.540 -4.810 -13.109 419 2HB GLU 58 1HB GLU 58 -5.731 -6.344 -13.439 420 1HG GLU 58 2HG GLU 58 -6.878 -7.448 -11.809 421 2HG GLU 58 1HG GLU 58 -6.813 -6.076 -10.702 422 H LEU 59 H LEU 59 -2.291 -5.104 -11.584 423 HA LEU 59 HA LEU 59 -1.671 -3.174 -13.657 424 1HB LEU 59 2HB LEU 59 0.063 -5.169 -12.167 425 2HB LEU 59 1HB LEU 59 0.640 -3.740 -13.021 426 HG LEU 59 HG LEU 59 -1.055 -3.857 -10.520 427 1HD1 LEU 59 1HD1 LEU 59 1.361 -3.916 -10.185 428 2HD1 LEU 59 2HD1 LEU 59 0.749 -2.336 -9.699 429 3HD1 LEU 59 3HD1 LEU 59 1.572 -2.525 -11.248 430 1HD2 LEU 59 1HD2 LEU 59 -0.882 -1.772 -12.637 431 2HD2 LEU 59 2HD2 LEU 59 -0.761 -1.202 -10.973 432 3HD2 LEU 59 3HD2 LEU 59 -2.182 -2.107 -11.493 433 H GLN 60 H GLN 60 -3.096 -4.675 -15.130 434 HA GLN 60 HA GLN 60 -1.748 -7.031 -16.222 435 1HB GLN 60 2HB GLN 60 -4.148 -5.485 -17.231 436 2HB GLN 60 1HB GLN 60 -3.771 -7.180 -17.527 437 1HG GLN 60 2HG GLN 60 -4.216 -7.789 -15.264 438 2HG GLN 60 1HG GLN 60 -4.194 -6.108 -14.727 439 1HE2 GLN 60 1HE2 GLN 60 -5.895 -4.766 -16.351 440 2HE2 GLN 60 2HE2 GLN 60 -7.443 -5.463 -16.367 441 H GLY 61 H GLY 61 -0.867 -7.170 -18.362 442 1HA GLY 61 2HA GLY 61 -0.121 -6.311 -20.475 443 2HA GLY 61 1HA GLY 61 -0.642 -4.699 -19.973 444 H LEU 62 H LEU 62 1.813 -7.184 -19.236 445 HA LEU 62 HA LEU 62 3.707 -4.957 -18.540 446 1HB LEU 62 2HB LEU 62 3.632 -7.746 -17.369 447 2HB LEU 62 1HB LEU 62 4.499 -6.343 -16.745 448 HG LEU 62 HG LEU 62 1.482 -6.493 -16.987 449 1HD1 LEU 62 1HD1 LEU 62 3.042 -6.635 -14.417 450 2HD1 LEU 62 2HD1 LEU 62 2.675 -8.100 -15.327 451 3HD1 LEU 62 3HD1 LEU 62 1.364 -7.088 -14.716 452 1HD2 LEU 62 1HD2 LEU 62 3.207 -4.612 -15.357 453 2HD2 LEU 62 2HD2 LEU 62 1.486 -4.464 -15.708 454 3HD2 LEU 62 3HD2 LEU 62 2.672 -4.231 -16.993 455 H ARG 63 H ARG 63 6.021 -6.413 -18.293 456 HA ARG 63 HA ARG 63 6.390 -7.662 -21.000 457 1HB ARG 63 2HB ARG 63 8.194 -5.927 -19.283 458 2HB ARG 63 1HB ARG 63 8.732 -6.730 -20.760 459 1HG ARG 63 2HG ARG 63 6.426 -5.502 -21.608 460 2HG ARG 63 1HG ARG 63 7.043 -4.336 -20.439 461 1HD ARG 63 2HD ARG 63 8.703 -3.694 -21.849 462 2HD ARG 63 1HD ARG 63 9.176 -5.380 -22.148 463 HE ARG 63 HE ARG 63 6.986 -3.953 -23.602 464 1HH1 ARG 63 1HH1 ARG 63 9.817 -5.185 -24.444 465 2HH1 ARG 63 2HH1 ARG 63 9.244 -6.473 -25.451 466 1HH2 ARG 63 1HH2 ARG 63 5.961 -6.214 -24.369 467 2HH2 ARG 63 2HH2 ARG 63 7.061 -7.056 -25.406 468 HA PRO 64 HA PRO 64 7.818 -11.169 -18.773 469 1HB PRO 64 2HB PRO 64 9.197 -12.428 -20.760 470 2HB PRO 64 1HB PRO 64 7.425 -12.353 -20.706 471 1HG PRO 64 2HG PRO 64 9.328 -10.821 -22.382 472 2HG PRO 64 1HG PRO 64 7.681 -11.356 -22.742 473 1HD PRO 64 2HD PRO 64 8.421 -8.772 -21.998 474 2HD PRO 64 1HD PRO 64 6.773 -9.434 -21.946 475 H GLY 65 H GLY 65 9.524 -11.415 -17.372 476 1HA GLY 65 2HA GLY 65 11.773 -11.559 -16.651 477 2HA GLY 65 1HA GLY 65 12.286 -11.092 -18.271 478 H SER 66 H SER 66 10.770 -9.709 -15.338 479 HA SER 66 HA SER 66 12.609 -7.461 -15.355 480 1HB SER 66 2HB SER 66 10.054 -6.224 -15.710 481 2HB SER 66 1HB SER 66 11.482 -6.078 -16.727 482 HG SER 66 HG SER 66 10.252 -7.099 -18.109 483 H GLU 67 H GLU 67 12.747 -6.791 -13.243 484 HA GLU 67 HA GLU 67 10.867 -7.780 -11.240 485 1HB GLU 67 2HB GLU 67 13.399 -7.362 -11.056 486 2HB GLU 67 1HB GLU 67 12.998 -5.648 -10.935 487 1HG GLU 67 2HG GLU 67 12.803 -6.040 -8.707 488 2HG GLU 67 1HG GLU 67 11.257 -6.781 -9.122 489 H TYR 68 H TYR 68 8.832 -6.833 -11.568 490 HA TYR 68 HA TYR 68 8.427 -4.074 -12.265 491 1HB TYR 68 2HB TYR 68 6.904 -6.482 -11.616 492 2HB TYR 68 1HB TYR 68 6.110 -5.004 -11.066 493 HD1 TYR 68 HD1 TYR 68 5.357 -3.310 -12.636 494 HD2 TYR 68 HD2 TYR 68 7.395 -6.838 -13.993 495 HE1 TYR 68 HE1 TYR 68 4.672 -2.808 -14.966 496 HE2 TYR 68 HE2 TYR 68 6.710 -6.339 -16.322 497 HH TYR 68 HH TYR 68 6.055 -4.221 -17.633 498 H THR 69 H THR 69 9.715 -2.905 -10.640 499 HA THR 69 HA THR 69 9.040 -3.084 -7.808 500 HB THR 69 HB THR 69 10.365 -0.792 -9.279 501 HG1 THR 69 HG1 THR 69 11.753 -2.209 -9.934 502 1HG2 THR 69 1HG2 THR 69 11.774 -0.893 -7.136 503 2HG2 THR 69 2HG2 THR 69 10.529 -1.972 -6.506 504 3HG2 THR 69 3HG2 THR 69 10.115 -0.320 -6.969 505 H VAL 70 H VAL 70 6.640 -2.889 -8.192 506 HA VAL 70 HA VAL 70 5.464 -0.526 -9.304 507 HB VAL 70 HB VAL 70 4.362 -2.488 -7.290 508 1HG1 VAL 70 1HG1 VAL 70 2.219 -1.932 -8.513 509 2HG1 VAL 70 2HG1 VAL 70 3.094 -0.634 -9.326 510 3HG1 VAL 70 3HG1 VAL 70 2.887 -0.598 -7.573 511 1HG2 VAL 70 1HG2 VAL 70 3.614 -2.987 -10.027 512 2HG2 VAL 70 2HG2 VAL 70 4.454 -4.057 -8.906 513 3HG2 VAL 70 3HG2 VAL 70 5.372 -2.932 -9.907 514 H SER 71 H SER 71 4.568 1.283 -8.289 515 HA SER 71 HA SER 71 5.356 1.713 -5.432 516 1HB SER 71 2HB SER 71 5.836 3.206 -7.922 517 2HB SER 71 1HB SER 71 5.238 4.206 -6.602 518 HG SER 71 HG SER 71 7.675 3.463 -6.945 519 H VAL 72 H VAL 72 3.257 1.252 -4.574 520 HA VAL 72 HA VAL 72 0.832 2.381 -5.756 521 HB VAL 72 HB VAL 72 1.433 1.072 -3.082 522 1HG1 VAL 72 1HG1 VAL 72 -1.207 1.564 -4.490 523 2HG1 VAL 72 2HG1 VAL 72 -0.657 2.379 -3.025 524 3HG1 VAL 72 3HG1 VAL 72 -1.001 0.648 -2.998 525 1HG2 VAL 72 1HG2 VAL 72 0.164 -0.833 -4.377 526 2HG2 VAL 72 2HG2 VAL 72 1.883 -0.576 -4.677 527 3HG2 VAL 72 3HG2 VAL 72 0.687 0.053 -5.809 528 H VAL 73 H VAL 73 -0.202 4.295 -5.143 529 HA VAL 73 HA VAL 73 0.737 5.717 -2.705 530 HB VAL 73 HB VAL 73 0.712 6.972 -5.464 531 1HG1 VAL 73 1HG1 VAL 73 1.626 7.851 -2.719 532 2HG1 VAL 73 2HG1 VAL 73 0.470 8.647 -3.787 533 3HG1 VAL 73 3HG1 VAL 73 2.188 8.643 -4.191 534 1HG2 VAL 73 1HG2 VAL 73 2.969 5.752 -3.845 535 2HG2 VAL 73 2HG2 VAL 73 3.239 6.869 -5.184 536 3HG2 VAL 73 3HG2 VAL 73 2.460 5.314 -5.476 537 H ALA 74 H ALA 74 -0.969 6.724 -1.712 538 HA ALA 74 HA ALA 74 -3.614 6.699 -3.046 539 1HB ALA 74 1HB ALA 74 -4.423 7.079 -0.808 540 2HB ALA 74 2HB ALA 74 -2.833 7.612 -0.265 541 3HB ALA 74 3HB ALA 74 -3.101 5.920 -0.677 542 H LEU 75 H LEU 75 -4.993 8.778 -2.635 543 HA LEU 75 HA LEU 75 -3.308 11.241 -2.810 544 1HB LEU 75 2HB LEU 75 -5.499 10.388 -4.715 545 2HB LEU 75 1HB LEU 75 -4.629 11.918 -4.787 546 HG LEU 75 HG LEU 75 -3.273 9.221 -4.920 547 1HD1 LEU 75 1HD1 LEU 75 -3.001 10.065 -7.402 548 2HD1 LEU 75 2HD1 LEU 75 -4.458 10.989 -7.040 549 3HD1 LEU 75 3HD1 LEU 75 -4.477 9.227 -6.920 550 1HD2 LEU 75 1HD2 LEU 75 -1.770 11.229 -6.173 551 2HD2 LEU 75 2HD2 LEU 75 -1.453 10.520 -4.589 552 3HD2 LEU 75 3HD2 LEU 75 -2.410 11.997 -4.719 553 H HIS 76 H HIS 76 -5.197 13.077 -3.290 554 HA HIS 76 HA HIS 76 -7.652 12.810 -1.780 555 1HB HIS 76 2HB HIS 76 -5.596 12.823 -0.128 556 2HB HIS 76 1HB HIS 76 -5.562 14.549 -0.477 557 HD1 HIS 76 HD1 HIS 76 -8.981 13.774 -0.774 558 HD2 HIS 76 HD2 HIS 76 -6.436 14.156 2.505 559 HE1 HIS 76 HE1 HIS 76 -10.462 14.179 1.243 560 H ASP 77 H ASP 77 -7.856 15.573 -1.030 561 HA ASP 77 HA ASP 77 -8.626 16.866 -3.363 562 1HB ASP 77 2HB ASP 77 -7.653 17.705 -0.662 563 2HB ASP 77 1HB ASP 77 -7.875 18.955 -1.885 564 H ASP 78 H ASP 78 -5.417 16.347 -2.097 565 HA ASP 78 HA ASP 78 -3.952 16.718 -4.445 566 1HB ASP 78 2HB ASP 78 -5.040 19.179 -3.380 567 2HB ASP 78 1HB ASP 78 -3.278 19.243 -3.341 568 H MET 79 H MET 79 -3.265 14.979 -2.683 569 HA MET 79 HA MET 79 -1.116 16.200 -0.977 570 1HB MET 79 2HB MET 79 -3.218 14.122 -0.488 571 2HB MET 79 1HB MET 79 -1.694 14.016 0.396 572 1HG MET 79 2HG MET 79 -3.481 16.465 0.299 573 2HG MET 79 1HG MET 79 -3.392 15.328 1.645 574 1HE MET 79 1HE MET 79 -1.322 14.409 2.296 575 2HE MET 79 2HE MET 79 -0.514 15.523 3.394 576 3HE MET 79 3HE MET 79 0.292 15.026 1.908 577 H GLU 80 H GLU 80 0.318 14.145 -0.203 578 HA GLU 80 HA GLU 80 0.877 12.323 -2.470 579 1HB GLU 80 2HB GLU 80 2.215 14.759 -1.985 580 2HB GLU 80 1HB GLU 80 3.311 13.490 -1.432 581 1HG GLU 80 2HG GLU 80 3.182 12.362 -3.557 582 2HG GLU 80 1HG GLU 80 1.923 13.463 -4.115 583 H SER 81 H SER 81 -0.137 11.095 -0.463 584 HA SER 81 HA SER 81 1.197 10.647 1.964 585 1HB SER 81 2HB SER 81 0.202 8.183 1.227 586 2HB SER 81 1HB SER 81 -0.748 9.478 1.943 587 HG SER 81 HG SER 81 -1.677 9.797 0.081 588 H GLN 82 H GLN 82 2.828 9.152 2.608 589 HA GLN 82 HA GLN 82 5.127 8.801 1.162 590 1HB GLN 82 2HB GLN 82 3.706 7.245 3.282 591 2HB GLN 82 1HB GLN 82 5.167 6.548 2.582 592 1HG GLN 82 2HG GLN 82 6.203 7.805 4.185 593 2HG GLN 82 1HG GLN 82 6.010 9.090 2.993 594 1HE2 GLN 82 1HE2 GLN 82 4.830 10.899 3.668 595 2HE2 GLN 82 2HE2 GLN 82 3.827 10.941 5.037 596 HA PRO 83 HA PRO 83 3.821 6.186 -2.173 597 1HB PRO 83 2HB PRO 83 6.302 5.789 -3.258 598 2HB PRO 83 1HB PRO 83 5.378 7.291 -3.468 599 1HG PRO 83 2HG PRO 83 7.631 6.701 -1.611 600 2HG PRO 83 1HG PRO 83 7.272 8.180 -2.518 601 1HD PRO 83 2HD PRO 83 6.731 7.873 0.148 602 2HD PRO 83 1HD PRO 83 5.818 8.961 -0.923 603 H LEU 84 H LEU 84 3.383 4.024 -1.964 604 HA LEU 84 HA LEU 84 5.051 2.326 -0.206 605 1HB LEU 84 2HB LEU 84 2.571 2.359 -0.112 606 2HB LEU 84 1HB LEU 84 2.511 1.820 -1.787 607 HG LEU 84 HG LEU 84 4.143 -0.077 -0.729 608 1HD1 LEU 84 1HD1 LEU 84 3.645 -0.593 1.477 609 2HD1 LEU 84 2HD1 LEU 84 2.062 0.184 1.410 610 3HD1 LEU 84 3HD1 LEU 84 3.523 1.165 1.539 611 1HD2 LEU 84 1HD2 LEU 84 1.602 -1.107 -0.260 612 2HD2 LEU 84 2HD2 LEU 84 2.445 -1.122 -1.809 613 3HD2 LEU 84 3HD2 LEU 84 1.311 0.176 -1.434 614 H ILE 85 H ILE 85 5.957 0.268 -1.004 615 HA ILE 85 HA ILE 85 6.494 0.311 -3.958 616 HB ILE 85 HB ILE 85 8.157 -0.355 -1.531 617 1HG1 ILE 85 2HG1 ILE 85 8.080 1.974 -2.457 618 2HG1 ILE 85 1HG1 ILE 85 9.689 1.257 -2.532 619 1HG2 ILE 85 1HG2 ILE 85 9.914 -1.042 -3.308 620 2HG2 ILE 85 2HG2 ILE 85 8.534 -1.273 -4.382 621 3HG2 ILE 85 3HG2 ILE 85 8.664 -2.217 -2.899 622 1HD1 ILE 85 1HD1 ILE 85 8.857 0.464 -4.927 623 2HD1 ILE 85 2HD1 ILE 85 9.511 2.084 -4.691 624 3HD1 ILE 85 3HD1 ILE 85 7.766 1.838 -4.753 625 H GLY 86 H GLY 86 6.666 -1.771 -5.005 626 1HA GLY 86 2HA GLY 86 5.875 -4.191 -3.513 627 2HA GLY 86 1HA GLY 86 4.736 -3.647 -4.748 628 H THR 87 H THR 87 8.133 -4.582 -4.275 629 HA THR 87 HA THR 87 8.615 -4.844 -7.157 630 HB THR 87 HB THR 87 10.335 -5.941 -4.949 631 HG1 THR 87 HG1 THR 87 11.088 -3.826 -4.631 632 1HG2 THR 87 1HG2 THR 87 11.978 -4.611 -6.580 633 2HG2 THR 87 2HG2 THR 87 10.664 -4.901 -7.720 634 3HG2 THR 87 3HG2 THR 87 11.461 -6.260 -6.927 635 H GLN 88 H GLN 88 9.218 -6.879 -8.177 636 HA GLN 88 HA GLN 88 9.017 -9.466 -7.019 637 1HB GLN 88 2HB GLN 88 6.570 -8.136 -7.105 638 2HB GLN 88 1HB GLN 88 6.521 -9.188 -8.521 639 1HG GLN 88 2HG GLN 88 7.249 -10.120 -5.728 640 2HG GLN 88 1HG GLN 88 5.649 -10.298 -6.451 641 1HE2 GLN 88 1HE2 GLN 88 6.475 -10.954 -9.139 642 2HE2 GLN 88 2HE2 GLN 88 7.228 -12.474 -9.099 643 H SER 89 H SER 89 9.964 -10.793 -8.531 644 HA SER 89 HA SER 89 10.516 -9.842 -11.217 645 1HB SER 89 2HB SER 89 11.488 -12.188 -11.375 646 2HB SER 89 1HB SER 89 12.101 -11.217 -10.039 647 HG SER 89 HG SER 89 11.524 -13.220 -9.245 648 H THR 90 H THR 90 9.102 -9.968 -12.906 649 HA THR 90 HA THR 90 6.557 -11.201 -12.864 650 HB THR 90 HB THR 90 7.622 -11.146 -15.527 651 HG1 THR 90 HG1 THR 90 8.600 -9.150 -15.524 652 1HG2 THR 90 1HG2 THR 90 5.361 -10.371 -14.296 653 2HG2 THR 90 2HG2 THR 90 5.850 -9.734 -15.868 654 3HG2 THR 90 3HG2 THR 90 6.172 -8.809 -14.401 655 H ALA 91 H ALA 91 5.902 -13.309 -13.153 656 HA ALA 91 HA ALA 91 7.888 -15.436 -13.379 657 1HB ALA 91 1HB ALA 91 6.055 -15.933 -12.026 658 2HB ALA 91 2HB ALA 91 5.604 -16.737 -13.529 659 3HB ALA 91 3HB ALA 91 4.913 -15.166 -13.128 660 H ILE 92 H ILE 92 8.806 -15.016 -15.506 661 HA ILE 92 HA ILE 92 7.460 -14.710 -17.952 662 HB ILE 92 HB ILE 92 9.515 -15.412 -18.945 663 1HG1 ILE 92 2HG1 ILE 92 9.618 -17.666 -18.013 664 2HG1 ILE 92 1HG1 ILE 92 11.146 -16.844 -17.698 665 1HG2 ILE 92 1HG2 ILE 92 10.920 -13.957 -17.901 666 2HG2 ILE 92 2HG2 ILE 92 10.734 -14.747 -16.334 667 3HG2 ILE 92 3HG2 ILE 92 9.508 -13.613 -16.902 668 1HD1 ILE 92 1HD1 ILE 92 8.862 -17.268 -15.763 669 2HD1 ILE 92 2HD1 ILE 92 10.230 -16.207 -15.433 670 3HD1 ILE 92 3HD1 ILE 92 10.490 -17.936 -15.659 671 HA PRO 93 HA PRO 93 5.516 -18.545 -18.778 672 1HB PRO 93 2HB PRO 93 5.872 -18.808 -21.470 673 2HB PRO 93 1HB PRO 93 4.769 -17.617 -20.752 674 1HG PRO 93 2HG PRO 93 7.485 -17.232 -21.888 675 2HG PRO 93 1HG PRO 93 6.082 -16.152 -21.917 676 1HD PRO 93 2HD PRO 93 8.242 -15.880 -20.212 677 2HD PRO 93 1HD PRO 93 6.629 -15.194 -19.921 678 H ALA 94 H ALA 94 7.376 -19.621 -17.544 679 HA ALA 94 HA ALA 94 9.341 -21.021 -19.291 680 1HB ALA 94 1HB ALA 94 9.023 -21.010 -16.276 681 2HB ALA 94 2HB ALA 94 9.953 -19.803 -17.163 682 3HB ALA 94 3HB ALA 94 10.454 -21.494 -17.188 Start of MODEL 12 1 1H ASN 1 1H ASN 1 -6.688 14.516 6.548 2 2H ASN 1 2H ASN 1 -6.560 16.206 6.428 3 3H ASN 1 3H ASN 1 -5.742 15.375 7.663 4 HA ASN 1 HA ASN 1 -5.005 15.730 4.869 5 1HB ASN 1 2HB ASN 1 -4.074 16.440 7.326 6 2HB ASN 1 1HB ASN 1 -3.149 14.962 7.050 7 1HD2 ASN 1 1HD2 ASN 1 -4.238 17.495 4.725 8 2HD2 ASN 1 2HD2 ASN 1 -2.680 17.844 4.148 9 H ILE 2 H ILE 2 -3.371 14.125 3.996 10 HA ILE 2 HA ILE 2 -4.443 11.455 3.972 11 HB ILE 2 HB ILE 2 -3.066 12.807 2.233 12 1HG1 ILE 2 2HG1 ILE 2 -1.804 10.162 2.307 13 2HG1 ILE 2 1HG1 ILE 2 -3.545 10.097 2.585 14 1HG2 ILE 2 1HG2 ILE 2 -0.667 11.441 3.359 15 2HG2 ILE 2 2HG2 ILE 2 -1.190 12.925 4.158 16 3HG2 ILE 2 3HG2 ILE 2 -0.780 12.944 2.444 17 1HD1 ILE 2 1HD1 ILE 2 -2.058 11.148 0.189 18 2HD1 ILE 2 2HD1 ILE 2 -3.686 11.725 0.548 19 3HD1 ILE 2 3HD1 ILE 2 -3.404 10.010 0.244 20 H ASP 3 H ASP 3 -2.595 9.598 4.314 21 HA ASP 3 HA ASP 3 -1.078 10.084 6.810 22 1HB ASP 3 2HB ASP 3 -3.646 9.176 6.901 23 2HB ASP 3 1HB ASP 3 -2.755 7.656 6.824 24 H ARG 4 H ARG 4 -0.945 8.968 3.782 25 HA ARG 4 HA ARG 4 0.472 7.467 2.651 26 1HB ARG 4 2HB ARG 4 1.792 7.340 5.367 27 2HB ARG 4 1HB ARG 4 2.555 7.092 3.800 28 1HG ARG 4 2HG ARG 4 2.907 9.299 3.556 29 2HG ARG 4 1HG ARG 4 1.200 9.639 3.847 30 1HD ARG 4 2HD ARG 4 1.667 9.386 6.331 31 2HD ARG 4 1HD ARG 4 3.394 9.345 5.920 32 HE ARG 4 HE ARG 4 2.895 11.571 4.688 33 1HH1 ARG 4 1HH2 ARG 4 3.298 11.903 7.633 34 2HH1 ARG 4 2HH2 ARG 4 1.899 12.817 8.092 35 1HH2 ARG 4 1HH1 ARG 4 0.154 12.107 5.184 36 2HH2 ARG 4 2HH1 ARG 4 0.119 12.928 6.707 37 HA PRO 5 HA PRO 5 -1.479 3.674 4.038 38 1HB PRO 5 2HB PRO 5 -1.186 2.335 1.677 39 2HB PRO 5 1HB PRO 5 -2.468 3.531 1.954 40 1HG PRO 5 2HG PRO 5 0.079 3.803 0.451 41 2HG PRO 5 1HG PRO 5 -1.503 4.535 0.141 42 1HD PRO 5 2HD PRO 5 0.634 5.846 1.307 43 2HD PRO 5 1HD PRO 5 -1.066 6.331 1.474 44 H LYS 6 H LYS 6 -0.648 1.226 3.692 45 HA LYS 6 HA LYS 6 2.145 0.764 3.219 46 1HB LYS 6 2HB LYS 6 2.369 2.215 5.171 47 2HB LYS 6 1HB LYS 6 1.235 1.212 6.076 48 1HG LYS 6 2HG LYS 6 2.807 -0.346 6.547 49 2HG LYS 6 1HG LYS 6 3.468 -0.296 4.913 50 1HD LYS 6 2HD LYS 6 4.340 2.087 5.696 51 2HD LYS 6 1HD LYS 6 4.193 1.362 7.298 52 1HE LYS 6 2HE LYS 6 6.356 0.683 6.782 53 2HE LYS 6 1HE LYS 6 5.462 -0.663 6.046 54 1HZ LYS 6 1HZ LYS 6 5.973 1.846 4.570 55 2HZ LYS 6 2HZ LYS 6 5.540 0.325 3.950 56 3HZ LYS 6 3HZ LYS 6 7.102 0.582 4.567 57 H GLY 7 H GLY 7 2.670 -1.474 3.523 58 1HA GLY 7 2HA GLY 7 2.260 -3.746 4.080 59 2HA GLY 7 1HA GLY 7 0.759 -3.252 4.862 60 H LEU 8 H LEU 8 2.197 -3.497 1.594 61 HA LEU 8 HA LEU 8 -0.513 -3.807 0.436 62 1HB LEU 8 2HB LEU 8 0.502 -2.894 -1.398 63 2HB LEU 8 1HB LEU 8 1.885 -2.609 -0.351 64 HG LEU 8 HG LEU 8 2.497 -5.109 -0.988 65 1HD1 LEU 8 1HD1 LEU 8 0.164 -4.814 -2.447 66 2HD1 LEU 8 2HD1 LEU 8 1.404 -6.031 -2.745 67 3HD1 LEU 8 3HD1 LEU 8 1.418 -4.518 -3.652 68 1HD2 LEU 8 1HD2 LEU 8 2.806 -2.847 -2.986 69 2HD2 LEU 8 2HD2 LEU 8 3.854 -4.256 -2.828 70 3HD2 LEU 8 3HD2 LEU 8 3.799 -3.050 -1.543 71 H ALA 9 H ALA 9 -0.881 -5.691 -1.078 72 HA ALA 9 HA ALA 9 0.692 -8.116 -0.287 73 1HB ALA 9 1HB ALA 9 -1.304 -8.164 1.017 74 2HB ALA 9 2HB ALA 9 -1.607 -9.258 -0.333 75 3HB ALA 9 3HB ALA 9 -2.291 -7.632 -0.345 76 H PHE 10 H PHE 10 0.072 -9.995 -1.848 77 HA PHE 10 HA PHE 10 -0.350 -8.928 -4.620 78 1HB PHE 10 2HB PHE 10 1.705 -10.849 -3.502 79 2HB PHE 10 1HB PHE 10 1.383 -10.712 -5.231 80 HD1 PHE 10 HD1 PHE 10 3.189 -9.363 -2.453 81 HD2 PHE 10 HD2 PHE 10 1.520 -8.344 -6.278 82 HE1 PHE 10 HE1 PHE 10 4.673 -7.380 -2.574 83 HE2 PHE 10 HE2 PHE 10 3.004 -6.361 -6.397 84 HZ PHE 10 HZ PHE 10 4.581 -5.880 -4.545 85 H THR 11 H THR 11 -1.533 -10.315 -5.998 86 HA THR 11 HA THR 11 -2.819 -12.667 -4.667 87 HB THR 11 HB THR 11 -3.653 -10.608 -6.704 88 HG1 THR 11 HG1 THR 11 -4.497 -11.565 -4.216 89 1HG2 THR 11 1HG2 THR 11 -5.641 -11.947 -7.224 90 2HG2 THR 11 2HG2 THR 11 -5.033 -13.258 -6.212 91 3HG2 THR 11 3HG2 THR 11 -4.177 -12.813 -7.688 92 H ASP 12 H ASP 12 -2.110 -11.600 -8.012 93 HA ASP 12 HA ASP 12 -0.878 -14.265 -8.534 94 1HB ASP 12 2HB ASP 12 -3.189 -12.872 -9.829 95 2HB ASP 12 1HB ASP 12 -2.138 -13.861 -10.844 96 H VAL 13 H VAL 13 0.856 -14.178 -10.058 97 HA VAL 13 HA VAL 13 1.591 -11.430 -10.990 98 HB VAL 13 HB VAL 13 2.876 -12.343 -9.045 99 1HG1 VAL 13 1HG1 VAL 13 3.876 -14.378 -11.055 100 2HG1 VAL 13 2HG1 VAL 13 2.668 -14.737 -9.822 101 3HG1 VAL 13 3HG1 VAL 13 4.299 -14.269 -9.346 102 1HG2 VAL 13 1HG2 VAL 13 4.981 -11.658 -9.872 103 2HG2 VAL 13 2HG2 VAL 13 3.826 -10.825 -10.910 104 3HG2 VAL 13 3HG2 VAL 13 4.642 -12.275 -11.488 105 H ASP 14 H ASP 14 2.564 -11.299 -13.065 106 HA ASP 14 HA ASP 14 3.263 -13.668 -14.625 107 1HB ASP 14 2HB ASP 14 0.693 -13.522 -14.496 108 2HB ASP 14 1HB ASP 14 0.846 -12.088 -15.510 109 H VAL 15 H VAL 15 4.376 -13.047 -16.558 110 HA VAL 15 HA VAL 15 5.817 -10.695 -16.674 111 HB VAL 15 HB VAL 15 6.166 -12.654 -18.093 112 1HG1 VAL 15 1HG1 VAL 15 3.618 -12.923 -18.414 113 2HG1 VAL 15 2HG1 VAL 15 4.660 -13.314 -19.780 114 3HG1 VAL 15 3HG1 VAL 15 3.805 -11.774 -19.739 115 1HG2 VAL 15 1HG2 VAL 15 6.009 -11.233 -20.390 116 2HG2 VAL 15 2HG2 VAL 15 7.268 -10.979 -19.183 117 3HG2 VAL 15 3HG2 VAL 15 5.850 -9.931 -19.212 118 H ASP 16 H ASP 16 2.531 -11.242 -17.900 119 HA ASP 16 HA ASP 16 2.270 -8.281 -18.302 120 1HB ASP 16 2HB ASP 16 0.940 -8.815 -20.318 121 2HB ASP 16 1HB ASP 16 2.558 -9.507 -20.435 122 H SER 17 H SER 17 1.427 -10.335 -16.139 123 HA SER 17 HA SER 17 -1.333 -9.299 -15.842 124 1HB SER 17 2HB SER 17 -2.164 -11.208 -16.741 125 2HB SER 17 1HB SER 17 -0.590 -11.995 -16.708 126 HG SER 17 HG SER 17 -1.108 -12.909 -14.877 127 H ILE 18 H ILE 18 -1.251 -8.491 -13.775 128 HA ILE 18 HA ILE 18 -0.205 -10.253 -11.608 129 HB ILE 18 HB ILE 18 0.678 -7.440 -12.307 130 1HG1 ILE 18 2HG1 ILE 18 2.328 -9.917 -11.758 131 2HG1 ILE 18 1HG1 ILE 18 1.772 -9.485 -13.373 132 1HG2 ILE 18 1HG2 ILE 18 0.175 -7.912 -9.797 133 2HG2 ILE 18 2HG2 ILE 18 1.748 -7.237 -10.215 134 3HG2 ILE 18 3HG2 ILE 18 1.592 -8.959 -9.865 135 1HD1 ILE 18 1HD1 ILE 18 2.851 -7.117 -12.374 136 2HD1 ILE 18 2HD1 ILE 18 3.616 -8.199 -13.535 137 3HD1 ILE 18 3HD1 ILE 18 3.965 -8.365 -11.815 138 H LYS 19 H LYS 19 -1.172 -9.802 -9.563 139 HA LYS 19 HA LYS 19 -3.286 -7.679 -9.521 140 1HB LYS 19 2HB LYS 19 -3.434 -10.635 -9.126 141 2HB LYS 19 1HB LYS 19 -4.440 -9.632 -8.080 142 1HG LYS 19 2HG LYS 19 -5.678 -8.774 -9.861 143 2HG LYS 19 1HG LYS 19 -4.406 -9.111 -11.034 144 1HD LYS 19 2HD LYS 19 -5.160 -11.212 -11.413 145 2HD LYS 19 1HD LYS 19 -5.396 -11.522 -9.692 146 1HE LYS 19 2HE LYS 19 -7.626 -11.425 -10.175 147 2HE LYS 19 1HE LYS 19 -7.384 -9.669 -10.262 148 1HZ LYS 19 1HZ LYS 19 -8.267 -10.292 -12.342 149 2HZ LYS 19 2HZ LYS 19 -7.238 -11.638 -12.473 150 3HZ LYS 19 3HZ LYS 19 -6.609 -10.066 -12.609 151 H ILE 20 H ILE 20 -2.878 -6.354 -7.784 152 HA ILE 20 HA ILE 20 -1.533 -7.575 -5.391 153 HB ILE 20 HB ILE 20 -0.264 -5.522 -5.213 154 1HG1 ILE 20 2HG1 ILE 20 -1.853 -4.520 -7.598 155 2HG1 ILE 20 1HG1 ILE 20 -2.173 -4.043 -5.930 156 1HG2 ILE 20 1HG2 ILE 20 0.276 -5.509 -7.969 157 2HG2 ILE 20 2HG2 ILE 20 -0.287 -7.143 -7.620 158 3HG2 ILE 20 3HG2 ILE 20 1.088 -6.478 -6.739 159 1HD1 ILE 20 1HD1 ILE 20 -0.494 -2.544 -5.973 160 2HD1 ILE 20 2HD1 ILE 20 -0.318 -2.872 -7.698 161 3HD1 ILE 20 3HD1 ILE 20 0.646 -3.772 -6.526 162 H ALA 21 H ALA 21 -2.018 -6.460 -3.346 163 HA ALA 21 HA ALA 21 -4.572 -4.895 -3.365 164 1HB ALA 21 1HB ALA 21 -5.133 -7.180 -2.831 165 2HB ALA 21 2HB ALA 21 -5.142 -6.291 -1.308 166 3HB ALA 21 3HB ALA 21 -3.766 -7.313 -1.723 167 H TRP 22 H TRP 22 -4.055 -2.938 -2.441 168 HA TRP 22 HA TRP 22 -1.846 -2.836 -0.443 169 1HB TRP 22 2HB TRP 22 -1.916 -0.413 -0.967 170 2HB TRP 22 1HB TRP 22 -1.752 -1.384 -2.428 171 HD1 TRP 22 HD1 TRP 22 -4.136 0.924 -0.612 172 HE1 TRP 22 HE1 TRP 22 -6.145 1.446 -2.142 173 HE3 TRP 22 HE3 TRP 22 -3.237 -2.378 -4.399 174 HZ2 TRP 22 HZ2 TRP 22 -7.219 0.582 -4.643 175 HZ3 TRP 22 HZ3 TRP 22 -4.768 -2.503 -6.348 176 HH2 TRP 22 HH2 TRP 22 -6.757 -1.025 -6.472 177 H GLU 23 H GLU 23 -2.197 -1.378 1.464 178 HA GLU 23 HA GLU 23 -4.585 -2.059 2.914 179 1HB GLU 23 2HB GLU 23 -2.089 -1.232 3.518 180 2HB GLU 23 1HB GLU 23 -2.940 0.304 3.677 181 1HG GLU 23 2HG GLU 23 -3.212 -0.543 5.819 182 2HG GLU 23 1HG GLU 23 -4.667 -1.168 5.043 183 H SER 24 H SER 24 -6.324 -0.653 3.554 184 HA SER 24 HA SER 24 -7.290 1.144 1.521 185 1HB SER 24 2HB SER 24 -9.004 1.598 3.339 186 2HB SER 24 1HB SER 24 -8.790 -0.103 2.934 187 HG SER 24 HG SER 24 -8.740 0.187 5.178 188 HA PRO 25 HA PRO 25 -5.576 4.975 2.782 189 1HB PRO 25 2HB PRO 25 -7.665 6.708 2.447 190 2HB PRO 25 1HB PRO 25 -6.777 5.988 1.090 191 1HG PRO 25 2HG PRO 25 -9.421 5.240 2.230 192 2HG PRO 25 1HG PRO 25 -8.879 5.249 0.544 193 1HD PRO 25 2HD PRO 25 -9.074 2.979 2.073 194 2HD PRO 25 1HD PRO 25 -7.969 3.154 0.690 195 H GLN 26 H GLN 26 -5.656 6.633 4.499 196 HA GLN 26 HA GLN 26 -7.103 5.657 6.902 197 1HB GLN 26 2HB GLN 26 -4.828 7.575 6.359 198 2HB GLN 26 1HB GLN 26 -5.520 7.366 7.969 199 1HG GLN 26 2HG GLN 26 -4.912 4.822 6.638 200 2HG GLN 26 1HG GLN 26 -3.486 5.827 6.902 201 1HE2 GLN 26 1HE2 GLN 26 -3.627 3.497 8.397 202 2HE2 GLN 26 2HE2 GLN 26 -3.997 3.852 10.015 203 H GLY 27 H GLY 27 -6.551 8.737 5.179 204 1HA GLY 27 2HA GLY 27 -8.915 9.872 6.590 205 2HA GLY 27 1HA GLY 27 -7.684 10.816 5.748 206 H GLN 28 H GLN 28 -8.047 11.353 3.625 207 HA GLN 28 HA GLN 28 -10.276 9.949 2.196 208 1HB GLN 28 2HB GLN 28 -10.433 12.433 3.358 209 2HB GLN 28 1HB GLN 28 -9.949 12.841 1.711 210 1HG GLN 28 2HG GLN 28 -11.938 12.177 0.824 211 2HG GLN 28 1HG GLN 28 -12.061 10.785 1.901 212 1HE2 GLN 28 1HE2 GLN 28 -14.144 11.124 2.795 213 2HE2 GLN 28 2HE2 GLN 28 -14.580 12.520 3.657 214 H VAL 29 H VAL 29 -9.328 9.041 0.412 215 HA VAL 29 HA VAL 29 -6.920 10.275 -0.798 216 HB VAL 29 HB VAL 29 -8.417 7.668 -0.938 217 1HG1 VAL 29 1HG1 VAL 29 -7.976 8.325 -3.300 218 2HG1 VAL 29 2HG1 VAL 29 -7.018 6.928 -2.810 219 3HG1 VAL 29 3HG1 VAL 29 -6.268 8.520 -2.907 220 1HG2 VAL 29 1HG2 VAL 29 -6.077 6.820 -0.546 221 2HG2 VAL 29 2HG2 VAL 29 -6.677 7.876 0.734 222 3HG2 VAL 29 3HG2 VAL 29 -5.538 8.497 -0.463 223 H SER 30 H SER 30 -7.396 11.937 -2.220 224 HA SER 30 HA SER 30 -9.893 12.071 -3.718 225 1HB SER 30 2HB SER 30 -8.605 14.028 -2.919 226 2HB SER 30 1HB SER 30 -7.265 13.572 -3.965 227 HG SER 30 HG SER 30 -9.100 13.616 -5.636 228 H ARG 31 H ARG 31 -6.865 10.515 -4.193 229 HA ARG 31 HA ARG 31 -7.685 9.336 -6.706 230 1HB ARG 31 2HB ARG 31 -6.927 11.852 -7.075 231 2HB ARG 31 1HB ARG 31 -5.316 11.140 -7.000 232 1HG ARG 31 2HG ARG 31 -5.532 10.164 -9.033 233 2HG ARG 31 1HG ARG 31 -7.166 9.604 -8.677 234 1HD ARG 31 2HD ARG 31 -8.146 11.658 -9.359 235 2HD ARG 31 1HD ARG 31 -6.589 12.509 -9.295 236 HE ARG 31 HE ARG 31 -7.074 10.291 -11.247 237 1HH1 ARG 31 1HH1 ARG 31 -4.801 12.519 -10.340 238 2HH1 ARG 31 2HH1 ARG 31 -4.620 13.264 -11.893 239 1HH2 ARG 31 1HH2 ARG 31 -7.347 11.641 -13.289 240 2HH2 ARG 31 2HH2 ARG 31 -6.059 12.768 -13.562 241 H TYR 32 H TYR 32 -6.242 7.638 -7.307 242 HA TYR 32 HA TYR 32 -3.992 7.171 -5.378 243 1HB TYR 32 2HB TYR 32 -6.327 5.757 -5.743 244 2HB TYR 32 1HB TYR 32 -5.186 4.857 -6.744 245 HD1 TYR 32 HD1 TYR 32 -5.288 6.538 -3.388 246 HD2 TYR 32 HD2 TYR 32 -3.955 3.175 -5.703 247 HE1 TYR 32 HE1 TYR 32 -4.307 5.525 -1.349 248 HE2 TYR 32 HE2 TYR 32 -2.973 2.161 -3.663 249 HH TYR 32 HH TYR 32 -2.753 2.322 -1.455 250 H ARG 33 H ARG 33 -2.323 7.970 -6.724 251 HA ARG 33 HA ARG 33 -2.110 7.357 -9.536 252 1HB ARG 33 2HB ARG 33 -1.019 9.162 -7.894 253 2HB ARG 33 1HB ARG 33 0.271 7.962 -7.834 254 1HG ARG 33 2HG ARG 33 0.800 8.211 -10.072 255 2HG ARG 33 1HG ARG 33 -0.841 8.683 -10.513 256 1HD ARG 33 2HD ARG 33 0.064 10.792 -10.618 257 2HD ARG 33 1HD ARG 33 -0.113 10.751 -8.851 258 HE ARG 33 HE ARG 33 2.242 9.728 -8.846 259 1HH1 ARG 33 1HH1 ARG 33 2.158 12.720 -9.441 260 2HH1 ARG 33 2HH1 ARG 33 3.233 12.823 -10.795 261 1HH2 ARG 33 1HH2 ARG 33 3.171 9.416 -11.442 262 2HH2 ARG 33 2HH2 ARG 33 3.807 10.952 -11.928 263 H VAL 34 H VAL 34 -2.017 5.181 -10.076 264 HA VAL 34 HA VAL 34 -0.396 3.309 -8.456 265 HB VAL 34 HB VAL 34 -1.886 2.880 -11.062 266 1HG1 VAL 34 1HG1 VAL 34 -0.581 0.968 -10.581 267 2HG1 VAL 34 2HG1 VAL 34 -2.166 0.577 -9.913 268 3HG1 VAL 34 3HG1 VAL 34 -0.865 1.105 -8.845 269 1HG2 VAL 34 1HG2 VAL 34 -3.306 2.032 -8.684 270 2HG2 VAL 34 2HG2 VAL 34 -3.849 3.109 -9.972 271 3HG2 VAL 34 3HG2 VAL 34 -2.952 3.758 -8.599 272 H THR 35 H THR 35 1.774 4.011 -8.847 273 HA THR 35 HA THR 35 2.687 4.188 -11.672 274 HB THR 35 HB THR 35 4.826 4.735 -10.027 275 HG1 THR 35 HG1 THR 35 3.796 4.657 -8.132 276 1HG2 THR 35 1HG2 THR 35 2.607 6.588 -10.934 277 2HG2 THR 35 2HG2 THR 35 4.041 6.145 -11.859 278 3HG2 THR 35 3HG2 THR 35 4.202 7.114 -10.394 279 H TYR 36 H TYR 36 4.114 2.724 -12.559 280 HA TYR 36 HA TYR 36 5.242 0.577 -10.817 281 1HB TYR 36 2HB TYR 36 4.618 -0.788 -13.114 282 2HB TYR 36 1HB TYR 36 3.573 -0.742 -11.698 283 HD1 TYR 36 HD1 TYR 36 4.115 0.536 -15.107 284 HD2 TYR 36 HD2 TYR 36 1.588 0.699 -11.637 285 HE1 TYR 36 HE1 TYR 36 2.358 1.671 -16.439 286 HE2 TYR 36 HE2 TYR 36 -0.169 1.834 -12.971 287 HH TYR 36 HH TYR 36 -0.174 1.923 -16.307 288 H SER 37 H SER 37 7.419 0.342 -11.232 289 HA SER 37 HA SER 37 8.425 1.339 -13.877 290 1HB SER 37 2HB SER 37 10.447 2.012 -12.515 291 2HB SER 37 1HB SER 37 8.976 2.901 -12.140 292 HG SER 37 HG SER 37 9.772 0.554 -10.763 293 H SER 38 H SER 38 10.576 0.422 -14.470 294 HA SER 38 HA SER 38 11.173 -2.256 -13.307 295 1HB SER 38 2HB SER 38 9.591 -1.913 -15.538 296 2HB SER 38 1HB SER 38 11.187 -2.117 -16.256 297 HG SER 38 HG SER 38 11.215 -4.129 -15.599 298 HA PRO 39 HA PRO 39 15.287 -0.865 -14.040 299 1HB PRO 39 2HB PRO 39 16.604 -3.251 -14.278 300 2HB PRO 39 1HB PRO 39 16.003 -2.628 -12.728 301 1HG PRO 39 2HG PRO 39 14.834 -4.704 -14.512 302 2HG PRO 39 1HG PRO 39 14.881 -4.629 -12.744 303 1HD PRO 39 2HD PRO 39 12.670 -4.003 -14.240 304 2HD PRO 39 1HD PRO 39 12.990 -3.347 -12.618 305 H GLU 40 H GLU 40 13.815 -0.612 -16.395 306 HA GLU 40 HA GLU 40 15.690 -0.611 -18.472 307 1HB GLU 40 2HB GLU 40 14.758 -3.259 -17.756 308 2HB GLU 40 1HB GLU 40 14.324 -2.892 -19.426 309 1HG GLU 40 2HG GLU 40 17.016 -1.986 -18.827 310 2HG GLU 40 1HG GLU 40 16.837 -3.711 -18.504 311 H ASP 41 H ASP 41 12.419 -2.075 -18.398 312 HA ASP 41 HA ASP 41 11.377 -0.818 -20.677 313 1HB ASP 41 2HB ASP 41 10.261 -2.617 -19.483 314 2HB ASP 41 1HB ASP 41 10.087 -1.602 -18.052 315 H GLY 42 H GLY 42 11.204 0.312 -17.305 316 1HA GLY 42 2HA GLY 42 11.703 2.793 -17.038 317 2HA GLY 42 1HA GLY 42 10.552 3.031 -18.353 318 H ILE 43 H ILE 43 9.372 4.387 -16.718 319 HA ILE 43 HA ILE 43 7.717 2.650 -14.927 320 HB ILE 43 HB ILE 43 9.426 4.082 -13.797 321 1HG1 ILE 43 2HG1 ILE 43 6.568 4.968 -13.295 322 2HG1 ILE 43 1HG1 ILE 43 7.252 3.448 -12.717 323 1HG2 ILE 43 1HG2 ILE 43 8.698 6.589 -13.761 324 2HG2 ILE 43 2HG2 ILE 43 7.886 6.202 -15.278 325 3HG2 ILE 43 3HG2 ILE 43 9.632 5.999 -15.134 326 1HD1 ILE 43 1HD1 ILE 43 8.836 5.878 -12.110 327 2HD1 ILE 43 2HD1 ILE 43 8.503 4.469 -11.102 328 3HD1 ILE 43 3HD1 ILE 43 7.292 5.740 -11.268 329 H HIS 44 H HIS 44 5.598 3.723 -14.358 330 HA HIS 44 HA HIS 44 4.533 5.720 -16.235 331 1HB HIS 44 2HB HIS 44 4.417 2.881 -16.723 332 2HB HIS 44 1HB HIS 44 2.786 3.489 -16.453 333 HD1 HIS 44 HD1 HIS 44 5.776 5.072 -18.233 334 HD2 HIS 44 HD2 HIS 44 1.799 4.055 -18.966 335 HE1 HIS 44 HE1 HIS 44 5.237 5.910 -20.565 336 H GLU 45 H GLU 45 1.867 5.511 -15.775 337 HA GLU 45 HA GLU 45 1.411 4.906 -12.908 338 1HB GLU 45 2HB GLU 45 0.638 7.271 -12.543 339 2HB GLU 45 1HB GLU 45 2.364 7.139 -12.883 340 1HG GLU 45 2HG GLU 45 2.178 8.309 -14.810 341 2HG GLU 45 1HG GLU 45 0.759 7.393 -15.318 342 H LEU 46 H LEU 46 -0.821 4.731 -12.381 343 HA LEU 46 HA LEU 46 -2.663 4.697 -14.741 344 1HB LEU 46 2HB LEU 46 -1.975 2.739 -12.927 345 2HB LEU 46 1HB LEU 46 -3.473 3.368 -12.241 346 HG LEU 46 HG LEU 46 -4.578 3.074 -14.456 347 1HD1 LEU 46 1HD1 LEU 46 -1.941 1.769 -15.185 348 2HD1 LEU 46 2HD1 LEU 46 -2.596 3.248 -15.884 349 3HD1 LEU 46 3HD1 LEU 46 -3.405 1.708 -16.166 350 1HD2 LEU 46 1HD2 LEU 46 -4.349 1.254 -12.582 351 2HD2 LEU 46 2HD2 LEU 46 -3.292 0.450 -13.741 352 3HD2 LEU 46 3HD2 LEU 46 -4.973 0.783 -14.162 353 H PHE 47 H PHE 47 -4.629 5.814 -14.592 354 HA PHE 47 HA PHE 47 -4.810 7.779 -12.365 355 1HB PHE 47 2HB PHE 47 -6.086 7.558 -15.098 356 2HB PHE 47 1HB PHE 47 -6.374 8.890 -13.979 357 HD1 PHE 47 HD1 PHE 47 -3.860 7.221 -16.112 358 HD2 PHE 47 HD2 PHE 47 -4.667 10.552 -13.522 359 HE1 PHE 47 HE1 PHE 47 -1.784 8.332 -16.893 360 HE2 PHE 47 HE2 PHE 47 -2.592 11.663 -14.304 361 HZ PHE 47 HZ PHE 47 -1.151 10.553 -15.990 362 HA PRO 48 HA PRO 48 -9.088 5.505 -12.421 363 1HB PRO 48 2HB PRO 48 -8.883 2.782 -12.292 364 2HB PRO 48 1HB PRO 48 -9.095 3.669 -13.815 365 1HG PRO 48 2HG PRO 48 -6.634 2.491 -12.638 366 2HG PRO 48 1HG PRO 48 -7.143 2.591 -14.331 367 1HD PRO 48 2HD PRO 48 -5.280 4.248 -13.188 368 2HD PRO 48 1HD PRO 48 -6.260 4.684 -14.607 369 H ALA 49 H ALA 49 -8.842 6.432 -10.341 370 HA ALA 49 HA ALA 49 -7.442 5.111 -8.174 371 1HB ALA 49 1HB ALA 49 -8.027 7.047 -7.061 372 2HB ALA 49 2HB ALA 49 -9.654 7.062 -7.740 373 3HB ALA 49 3HB ALA 49 -8.286 7.601 -8.713 374 HA PRO 50 HA PRO 50 -10.607 2.513 -6.592 375 1HB PRO 50 2HB PRO 50 -10.640 3.054 -3.916 376 2HB PRO 50 1HB PRO 50 -9.317 2.174 -4.707 377 1HG PRO 50 2HG PRO 50 -9.445 5.018 -3.846 378 2HG PRO 50 1HG PRO 50 -8.084 3.887 -3.811 379 1HD PRO 50 2HD PRO 50 -8.407 5.840 -5.709 380 2HD PRO 50 1HD PRO 50 -7.486 4.342 -5.966 381 H ASP 51 H ASP 51 -12.630 2.624 -4.951 382 HA ASP 51 HA ASP 51 -14.049 5.212 -5.477 383 1HB ASP 51 2HB ASP 51 -14.581 3.088 -6.856 384 2HB ASP 51 1HB ASP 51 -15.319 2.479 -5.374 385 H GLY 52 H GLY 52 -12.975 3.006 -3.126 386 1HA GLY 52 2HA GLY 52 -13.446 4.139 -0.801 387 2HA GLY 52 1HA GLY 52 -15.123 3.772 -1.209 388 H GLU 53 H GLU 53 -15.309 1.329 -2.030 389 HA GLU 53 HA GLU 53 -14.250 -0.308 0.191 390 1HB GLU 53 2HB GLU 53 -16.604 -0.141 -1.423 391 2HB GLU 53 1HB GLU 53 -15.908 -1.748 -1.632 392 1HG GLU 53 2HG GLU 53 -15.684 -1.761 0.951 393 2HG GLU 53 1HG GLU 53 -16.828 -0.419 0.911 394 H GLU 54 H GLU 54 -13.005 0.564 -2.693 395 HA GLU 54 HA GLU 54 -12.059 -2.161 -3.466 396 1HB GLU 54 2HB GLU 54 -11.760 0.512 -4.867 397 2HB GLU 54 1HB GLU 54 -11.493 -1.084 -5.570 398 1HG GLU 54 2HG GLU 54 -14.015 -1.432 -4.703 399 2HG GLU 54 1HG GLU 54 -14.052 0.313 -4.960 400 H ASP 55 H ASP 55 -10.080 -2.749 -2.670 401 HA ASP 55 HA ASP 55 -8.048 -0.594 -2.182 402 1HB ASP 55 2HB ASP 55 -8.630 -3.128 -0.612 403 2HB ASP 55 1HB ASP 55 -7.359 -1.964 -0.231 404 H THR 56 H THR 56 -8.755 -3.049 -4.205 405 HA THR 56 HA THR 56 -5.883 -3.881 -4.462 406 HB THR 56 HB THR 56 -6.727 -6.097 -5.074 407 HG1 THR 56 HG1 THR 56 -9.267 -4.900 -4.682 408 1HG2 THR 56 1HG2 THR 56 -7.033 -6.714 -2.912 409 2HG2 THR 56 2HG2 THR 56 -8.422 -5.647 -2.712 410 3HG2 THR 56 3HG2 THR 56 -6.789 -5.004 -2.558 411 H ALA 57 H ALA 57 -5.485 -4.745 -6.782 412 HA ALA 57 HA ALA 57 -7.249 -3.625 -8.866 413 1HB ALA 57 1HB ALA 57 -5.944 -1.698 -8.090 414 2HB ALA 57 2HB ALA 57 -5.422 -2.155 -9.712 415 3HB ALA 57 3HB ALA 57 -4.446 -2.603 -8.313 416 H GLU 58 H GLU 58 -6.464 -4.233 -11.052 417 HA GLU 58 HA GLU 58 -4.796 -6.715 -10.965 418 1HB GLU 58 2HB GLU 58 -6.068 -7.344 -12.951 419 2HB GLU 58 1HB GLU 58 -7.191 -6.821 -11.696 420 1HG GLU 58 2HG GLU 58 -6.832 -4.450 -12.857 421 2HG GLU 58 1HG GLU 58 -6.431 -5.458 -14.247 422 H LEU 59 H LEU 59 -2.715 -5.807 -11.252 423 HA LEU 59 HA LEU 59 -2.167 -3.817 -13.319 424 1HB LEU 59 2HB LEU 59 -0.603 -5.496 -11.367 425 2HB LEU 59 1HB LEU 59 0.236 -4.560 -12.605 426 HG LEU 59 HG LEU 59 -1.693 -3.471 -10.537 427 1HD1 LEU 59 1HD1 LEU 59 0.191 -2.501 -9.498 428 2HD1 LEU 59 2HD1 LEU 59 1.212 -2.750 -10.913 429 3HD1 LEU 59 3HD1 LEU 59 0.739 -4.124 -9.914 430 1HD2 LEU 59 1HD2 LEU 59 -0.819 -1.257 -11.548 431 2HD2 LEU 59 2HD2 LEU 59 -2.013 -2.153 -12.485 432 3HD2 LEU 59 3HD2 LEU 59 -0.307 -2.237 -12.922 433 H GLN 60 H GLN 60 -3.240 -5.255 -15.016 434 HA GLN 60 HA GLN 60 -1.436 -7.444 -15.948 435 1HB GLN 60 2HB GLN 60 -4.206 -6.787 -16.958 436 2HB GLN 60 1HB GLN 60 -3.380 -8.344 -16.966 437 1HG GLN 60 2HG GLN 60 -3.573 -8.527 -14.547 438 2HG GLN 60 1HG GLN 60 -4.230 -6.893 -14.439 439 1HE2 GLN 60 1HE2 GLN 60 -6.246 -6.675 -16.146 440 2HE2 GLN 60 2HE2 GLN 60 -7.388 -7.923 -16.001 441 H GLY 61 H GLY 61 -0.931 -7.524 -18.262 442 1HA GLY 61 2HA GLY 61 -0.779 -6.546 -20.458 443 2HA GLY 61 1HA GLY 61 -1.397 -5.031 -19.797 444 H LEU 62 H LEU 62 1.164 -6.781 -18.169 445 HA LEU 62 HA LEU 62 2.930 -4.453 -18.397 446 1HB LEU 62 2HB LEU 62 3.289 -7.202 -17.181 447 2HB LEU 62 1HB LEU 62 4.339 -5.817 -16.899 448 HG LEU 62 HG LEU 62 1.375 -5.709 -16.364 449 1HD1 LEU 62 1HD1 LEU 62 2.411 -7.549 -15.048 450 2HD1 LEU 62 2HD1 LEU 62 1.870 -6.216 -14.029 451 3HD1 LEU 62 3HD1 LEU 62 3.583 -6.398 -14.406 452 1HD2 LEU 62 1HD2 LEU 62 3.110 -3.688 -16.552 453 2HD2 LEU 62 2HD2 LEU 62 3.480 -4.169 -14.896 454 3HD2 LEU 62 3HD2 LEU 62 1.839 -3.689 -15.330 455 H ARG 63 H ARG 63 5.269 -4.835 -19.042 456 HA ARG 63 HA ARG 63 5.339 -6.464 -21.538 457 1HB ARG 63 2HB ARG 63 5.690 -4.248 -22.117 458 2HB ARG 63 1HB ARG 63 6.520 -3.882 -20.609 459 1HG ARG 63 2HG ARG 63 8.046 -3.920 -22.608 460 2HG ARG 63 1HG ARG 63 8.511 -5.062 -21.348 461 1HD ARG 63 2HD ARG 63 6.846 -6.643 -22.812 462 2HD ARG 63 1HD ARG 63 7.502 -5.596 -24.087 463 HE ARG 63 HE ARG 63 9.169 -7.245 -22.231 464 1HH1 ARG 63 1HH2 ARG 63 10.137 -4.599 -23.635 465 2HH1 ARG 63 2HH2 ARG 63 11.055 -5.288 -24.933 466 1HH2 ARG 63 1HH1 ARG 63 9.743 -8.471 -24.528 467 2HH2 ARG 63 2HH1 ARG 63 10.831 -7.479 -25.439 468 HA PRO 64 HA PRO 64 9.533 -7.462 -19.575 469 1HB PRO 64 2HB PRO 64 10.106 -6.619 -17.045 470 2HB PRO 64 1HB PRO 64 10.427 -5.645 -18.493 471 1HG PRO 64 2HG PRO 64 8.295 -5.364 -16.475 472 2HG PRO 64 1HG PRO 64 9.055 -4.139 -17.498 473 1HD PRO 64 2HD PRO 64 6.544 -5.333 -17.907 474 2HD PRO 64 1HD PRO 64 7.435 -4.336 -19.073 475 H GLY 65 H GLY 65 10.372 -9.005 -17.832 476 1HA GLY 65 2HA GLY 65 8.160 -10.287 -16.310 477 2HA GLY 65 1HA GLY 65 9.152 -11.256 -17.396 478 H SER 66 H SER 66 9.890 -8.728 -14.961 479 HA SER 66 HA SER 66 11.595 -10.704 -13.524 480 1HB SER 66 2HB SER 66 12.452 -8.524 -15.261 481 2HB SER 66 1HB SER 66 13.131 -8.378 -13.643 482 HG SER 66 HG SER 66 14.487 -9.818 -14.384 483 H GLU 67 H GLU 67 12.757 -9.103 -11.670 484 HA GLU 67 HA GLU 67 10.821 -8.565 -9.732 485 1HB GLU 67 2HB GLU 67 13.220 -8.684 -9.298 486 2HB GLU 67 1HB GLU 67 13.496 -7.233 -10.263 487 1HG GLU 67 2HG GLU 67 11.552 -6.436 -8.434 488 2HG GLU 67 1HG GLU 67 12.624 -7.463 -7.481 489 H TYR 68 H TYR 68 9.005 -7.417 -10.574 490 HA TYR 68 HA TYR 68 9.365 -4.820 -11.897 491 1HB TYR 68 2HB TYR 68 7.543 -6.680 -12.185 492 2HB TYR 68 1HB TYR 68 6.798 -5.923 -10.778 493 HD1 TYR 68 HD1 TYR 68 5.114 -4.408 -11.302 494 HD2 TYR 68 HD2 TYR 68 8.530 -4.721 -13.889 495 HE1 TYR 68 HE1 TYR 68 4.181 -2.625 -12.751 496 HE2 TYR 68 HE2 TYR 68 7.595 -2.937 -15.338 497 HH TYR 68 HH TYR 68 4.358 -1.800 -14.995 498 H THR 69 H THR 69 9.547 -2.907 -10.793 499 HA THR 69 HA THR 69 9.004 -2.886 -7.868 500 HB THR 69 HB THR 69 10.085 -0.444 -8.650 501 HG1 THR 69 HG1 THR 69 11.628 -2.305 -10.008 502 1HG2 THR 69 1HG2 THR 69 11.309 -1.222 -6.928 503 2HG2 THR 69 2HG2 THR 69 12.264 -2.093 -8.128 504 3HG2 THR 69 3HG2 THR 69 10.919 -2.898 -7.319 505 H VAL 70 H VAL 70 6.714 -2.630 -7.789 506 HA VAL 70 HA VAL 70 5.432 -0.498 -9.363 507 HB VAL 70 HB VAL 70 4.406 -2.385 -7.224 508 1HG1 VAL 70 1HG1 VAL 70 2.742 -0.776 -7.319 509 2HG1 VAL 70 2HG1 VAL 70 2.237 -1.805 -8.659 510 3HG1 VAL 70 3HG1 VAL 70 3.132 -0.320 -8.977 511 1HG2 VAL 70 1HG2 VAL 70 3.371 -3.378 -9.453 512 2HG2 VAL 70 2HG2 VAL 70 5.015 -3.804 -8.974 513 3HG2 VAL 70 3HG2 VAL 70 4.747 -2.569 -10.204 514 H SER 71 H SER 71 4.511 1.401 -8.435 515 HA SER 71 HA SER 71 5.345 1.981 -5.610 516 1HB SER 71 2HB SER 71 6.803 3.123 -7.166 517 2HB SER 71 1HB SER 71 5.432 3.688 -8.115 518 HG SER 71 HG SER 71 4.767 4.833 -6.196 519 H VAL 72 H VAL 72 3.172 1.506 -4.857 520 HA VAL 72 HA VAL 72 0.838 2.827 -6.015 521 HB VAL 72 HB VAL 72 1.409 1.327 -3.443 522 1HG1 VAL 72 1HG1 VAL 72 -1.246 1.158 -3.633 523 2HG1 VAL 72 2HG1 VAL 72 -1.044 2.714 -4.438 524 3HG1 VAL 72 3HG1 VAL 72 -0.472 2.496 -2.784 525 1HG2 VAL 72 1HG2 VAL 72 1.515 -0.205 -5.226 526 2HG2 VAL 72 2HG2 VAL 72 0.264 0.633 -6.144 527 3HG2 VAL 72 3HG2 VAL 72 -0.171 -0.317 -4.723 528 H VAL 73 H VAL 73 0.146 4.910 -5.528 529 HA VAL 73 HA VAL 73 1.145 6.140 -2.984 530 HB VAL 73 HB VAL 73 1.019 7.539 -5.659 531 1HG1 VAL 73 1HG1 VAL 73 2.910 8.302 -3.502 532 2HG1 VAL 73 2HG1 VAL 73 1.203 8.584 -3.162 533 3HG1 VAL 73 3HG1 VAL 73 1.954 9.324 -4.576 534 1HG2 VAL 73 1HG2 VAL 73 2.607 5.797 -5.993 535 2HG2 VAL 73 2HG2 VAL 73 3.249 5.968 -4.360 536 3HG2 VAL 73 3HG2 VAL 73 3.560 7.218 -5.565 537 H ALA 74 H ALA 74 -0.503 7.013 -1.843 538 HA ALA 74 HA ALA 74 -3.176 7.324 -3.057 539 1HB ALA 74 1HB ALA 74 -3.838 7.659 -0.740 540 2HB ALA 74 2HB ALA 74 -2.163 7.932 -0.260 541 3HB ALA 74 3HB ALA 74 -2.680 6.330 -0.785 542 H LEU 75 H LEU 75 -4.320 9.432 -2.934 543 HA LEU 75 HA LEU 75 -2.453 11.764 -2.732 544 1HB LEU 75 2HB LEU 75 -4.563 11.180 -4.822 545 2HB LEU 75 1HB LEU 75 -3.611 12.661 -4.736 546 HG LEU 75 HG LEU 75 -2.264 9.972 -4.831 547 1HD1 LEU 75 1HD1 LEU 75 -3.499 9.810 -6.813 548 2HD1 LEU 75 2HD1 LEU 75 -2.037 10.628 -7.362 549 3HD1 LEU 75 3HD1 LEU 75 -3.505 11.555 -7.067 550 1HD2 LEU 75 1HD2 LEU 75 -0.388 11.268 -5.598 551 2HD2 LEU 75 2HD2 LEU 75 -1.064 12.132 -4.217 552 3HD2 LEU 75 3HD2 LEU 75 -1.399 12.690 -5.857 553 H HIS 76 H HIS 76 -4.152 13.776 -3.210 554 HA HIS 76 HA HIS 76 -6.625 13.549 -1.636 555 1HB HIS 76 2HB HIS 76 -4.975 13.708 0.126 556 2HB HIS 76 1HB HIS 76 -4.110 14.986 -0.723 557 HD1 HIS 76 HD1 HIS 76 -7.610 14.428 0.708 558 HD2 HIS 76 HD2 HIS 76 -4.838 17.492 0.149 559 HE1 HIS 76 HE1 HIS 76 -8.609 16.502 1.770 560 H ASP 77 H ASP 77 -7.487 16.021 -1.444 561 HA ASP 77 HA ASP 77 -8.129 17.123 -3.850 562 1HB ASP 77 2HB ASP 77 -7.627 18.151 -1.124 563 2HB ASP 77 1HB ASP 77 -7.647 19.386 -2.385 564 H ASP 78 H ASP 78 -4.964 17.369 -2.309 565 HA ASP 78 HA ASP 78 -3.650 18.028 -4.801 566 1HB ASP 78 2HB ASP 78 -2.957 20.346 -4.011 567 2HB ASP 78 1HB ASP 78 -4.663 20.186 -4.433 568 H MET 79 H MET 79 -2.871 15.989 -3.323 569 HA MET 79 HA MET 79 -0.422 16.915 -1.923 570 1HB MET 79 2HB MET 79 -2.613 16.298 -0.547 571 2HB MET 79 1HB MET 79 -2.023 14.655 -0.811 572 1HG MET 79 2HG MET 79 -0.287 14.930 0.591 573 2HG MET 79 1HG MET 79 0.063 16.547 -0.012 574 1HE MET 79 1HE MET 79 0.477 17.792 2.432 575 2HE MET 79 2HE MET 79 -0.950 18.821 2.515 576 3HE MET 79 3HE MET 79 -0.234 18.449 0.950 577 H GLU 80 H GLU 80 0.494 14.466 -1.102 578 HA GLU 80 HA GLU 80 0.349 12.244 -2.844 579 1HB GLU 80 2HB GLU 80 2.500 12.801 -4.168 580 2HB GLU 80 1HB GLU 80 1.031 13.647 -4.649 581 1HG GLU 80 2HG GLU 80 2.306 15.115 -2.534 582 2HG GLU 80 1HG GLU 80 3.485 14.789 -3.805 583 H SER 81 H SER 81 0.683 11.502 -0.583 584 HA SER 81 HA SER 81 3.114 12.053 0.874 585 1HB SER 81 2HB SER 81 2.152 10.624 2.448 586 2HB SER 81 1HB SER 81 0.740 11.194 1.567 587 HG SER 81 HG SER 81 2.162 8.756 1.220 588 H GLN 82 H GLN 82 4.506 10.089 1.615 589 HA GLN 82 HA GLN 82 6.203 9.179 -0.349 590 1HB GLN 82 2HB GLN 82 5.290 7.970 2.267 591 2HB GLN 82 1HB GLN 82 6.623 7.285 1.337 592 1HG GLN 82 2HG GLN 82 7.869 8.741 2.586 593 2HG GLN 82 1HG GLN 82 7.362 9.890 1.347 594 1HE2 GLN 82 1HE2 GLN 82 6.091 11.652 2.028 595 2HE2 GLN 82 2HE2 GLN 82 5.438 11.811 3.587 596 HA PRO 83 HA PRO 83 3.749 6.260 -2.573 597 1HB PRO 83 2HB PRO 83 5.744 5.296 -4.165 598 2HB PRO 83 1HB PRO 83 4.999 6.887 -4.408 599 1HG PRO 83 2HG PRO 83 7.619 6.198 -3.206 600 2HG PRO 83 1HG PRO 83 7.146 7.615 -4.155 601 1HD PRO 83 2HD PRO 83 7.418 7.556 -1.389 602 2HD PRO 83 1HD PRO 83 6.511 8.778 -2.307 603 H LEU 84 H LEU 84 3.222 4.128 -2.109 604 HA LEU 84 HA LEU 84 5.036 2.564 -0.367 605 1HB LEU 84 2HB LEU 84 2.749 2.610 0.294 606 2HB LEU 84 1HB LEU 84 2.188 2.343 -1.355 607 HG LEU 84 HG LEU 84 3.177 0.066 -1.309 608 1HD1 LEU 84 1HD1 LEU 84 4.842 -0.221 0.202 609 2HD1 LEU 84 2HD1 LEU 84 3.549 -0.477 1.376 610 3HD1 LEU 84 3HD1 LEU 84 4.278 1.120 1.200 611 1HD2 LEU 84 1HD2 LEU 84 0.882 0.999 0.058 612 2HD2 LEU 84 2HD2 LEU 84 1.621 -0.208 1.109 613 3HD2 LEU 84 3HD2 LEU 84 1.175 -0.632 -0.543 614 H ILE 85 H ILE 85 6.699 1.810 -1.757 615 HA ILE 85 HA ILE 85 6.344 0.849 -4.408 616 HB ILE 85 HB ILE 85 8.433 1.470 -2.879 617 1HG1 ILE 85 2HG1 ILE 85 9.732 -0.241 -4.509 618 2HG1 ILE 85 1HG1 ILE 85 8.146 -0.267 -5.275 619 1HG2 ILE 85 1HG2 ILE 85 8.128 -0.470 -1.355 620 2HG2 ILE 85 2HG2 ILE 85 9.684 -0.530 -2.182 621 3HG2 ILE 85 3HG2 ILE 85 8.359 -1.564 -2.720 622 1HD1 ILE 85 1HD1 ILE 85 9.846 1.543 -6.038 623 2HD1 ILE 85 2HD1 ILE 85 9.435 2.345 -4.522 624 3HD1 ILE 85 3HD1 ILE 85 8.182 2.037 -5.726 625 H GLY 86 H GLY 86 6.776 -1.499 -5.048 626 1HA GLY 86 2HA GLY 86 5.975 -3.589 -3.174 627 2HA GLY 86 1HA GLY 86 4.746 -3.237 -4.392 628 H THR 87 H THR 87 8.077 -4.339 -3.940 629 HA THR 87 HA THR 87 8.627 -4.847 -6.728 630 HB THR 87 HB THR 87 10.259 -4.567 -4.824 631 HG1 THR 87 HG1 THR 87 11.661 -5.778 -5.874 632 1HG2 THR 87 1HG2 THR 87 10.722 -6.766 -3.582 633 2HG2 THR 87 2HG2 THR 87 9.125 -7.276 -4.126 634 3HG2 THR 87 3HG2 THR 87 9.292 -5.861 -3.086 635 H GLN 88 H GLN 88 8.955 -7.100 -7.602 636 HA GLN 88 HA GLN 88 7.732 -9.412 -6.422 637 1HB GLN 88 2HB GLN 88 5.684 -8.139 -6.628 638 2HB GLN 88 1HB GLN 88 6.065 -7.711 -8.298 639 1HG GLN 88 2HG GLN 88 4.476 -9.502 -8.409 640 2HG GLN 88 1HG GLN 88 6.043 -10.201 -8.818 641 1HE2 GLN 88 1HE2 GLN 88 5.512 -12.341 -8.028 642 2HE2 GLN 88 2HE2 GLN 88 5.298 -12.662 -6.375 643 H SER 89 H SER 89 8.174 -11.227 -7.714 644 HA SER 89 HA SER 89 9.868 -10.791 -10.074 645 1HB SER 89 2HB SER 89 10.696 -12.728 -9.257 646 2HB SER 89 1HB SER 89 9.416 -12.762 -8.049 647 HG SER 89 HG SER 89 8.676 -14.398 -9.132 648 H THR 90 H THR 90 8.943 -10.528 -12.066 649 HA THR 90 HA THR 90 6.221 -11.610 -12.565 650 HB THR 90 HB THR 90 7.618 -9.969 -14.580 651 HG1 THR 90 HG1 THR 90 7.677 -8.157 -13.329 652 1HG2 THR 90 1HG2 THR 90 5.381 -8.630 -13.893 653 2HG2 THR 90 2HG2 THR 90 4.941 -10.247 -13.343 654 3HG2 THR 90 3HG2 THR 90 5.380 -9.977 -15.028 655 H ALA 91 H ALA 91 5.951 -13.379 -13.900 656 HA ALA 91 HA ALA 91 8.130 -14.953 -14.856 657 1HB ALA 91 1HB ALA 91 5.523 -15.078 -16.272 658 2HB ALA 91 2HB ALA 91 5.451 -15.246 -14.517 659 3HB ALA 91 3HB ALA 91 6.427 -16.363 -15.470 660 H ILE 92 H ILE 92 7.732 -15.546 -17.498 661 HA ILE 92 HA ILE 92 7.859 -12.971 -19.002 662 HB ILE 92 HB ILE 92 10.034 -13.402 -19.828 663 1HG1 ILE 92 2HG1 ILE 92 9.648 -15.745 -20.490 664 2HG1 ILE 92 1HG1 ILE 92 11.160 -15.602 -19.592 665 1HG2 ILE 92 1HG2 ILE 92 11.348 -13.417 -17.914 666 2HG2 ILE 92 2HG2 ILE 92 10.403 -14.692 -17.147 667 3HG2 ILE 92 3HG2 ILE 92 9.768 -13.049 -17.224 668 1HD1 ILE 92 1HD1 ILE 92 10.183 -17.429 -18.539 669 2HD1 ILE 92 2HD1 ILE 92 8.550 -16.796 -18.728 670 3HD1 ILE 92 3HD1 ILE 92 9.628 -16.108 -17.514 671 HA PRO 93 HA PRO 93 5.898 -15.392 -22.089 672 1HB PRO 93 2HB PRO 93 6.482 -13.914 -24.303 673 2HB PRO 93 1HB PRO 93 5.354 -13.369 -23.047 674 1HG PRO 93 2HG PRO 93 8.084 -12.445 -23.633 675 2HG PRO 93 1HG PRO 93 6.765 -11.613 -22.800 676 1HD PRO 93 2HD PRO 93 9.013 -12.915 -21.619 677 2HD PRO 93 1HD PRO 93 7.631 -12.172 -20.788 678 H ALA 94 H ALA 94 7.513 -17.214 -21.825 679 HA ALA 94 HA ALA 94 9.851 -17.316 -23.566 680 1HB ALA 94 1HB ALA 94 9.717 -19.769 -22.755 681 2HB ALA 94 2HB ALA 94 8.340 -19.235 -21.792 682 3HB ALA 94 3HB ALA 94 9.932 -18.524 -21.525 Start of MODEL 13 1 1H ASN 1 1H ASN 1 -6.917 14.317 8.380 2 2H ASN 1 2H ASN 1 -7.434 13.728 6.872 3 3H ASN 1 3H ASN 1 -6.302 14.994 6.952 4 HA ASN 1 HA ASN 1 -4.563 13.619 7.491 5 1HB ASN 1 2HB ASN 1 -6.646 12.622 9.161 6 2HB ASN 1 1HB ASN 1 -5.899 11.239 8.361 7 1HD2 ASN 1 1HD2 ASN 1 -5.485 13.572 10.869 8 2HD2 ASN 1 2HD2 ASN 1 -3.884 13.176 11.269 9 H ILE 2 H ILE 2 -3.797 11.432 6.544 10 HA ILE 2 HA ILE 2 -5.410 10.805 4.090 11 HB ILE 2 HB ILE 2 -3.286 12.032 3.720 12 1HG1 ILE 2 2HG1 ILE 2 -2.313 10.473 2.088 13 2HG1 ILE 2 1HG1 ILE 2 -3.143 9.123 2.861 14 1HG2 ILE 2 1HG2 ILE 2 -2.373 10.193 5.723 15 2HG2 ILE 2 2HG2 ILE 2 -1.514 11.561 5.017 16 3HG2 ILE 2 3HG2 ILE 2 -1.406 9.970 4.265 17 1HD1 ILE 2 1HD1 ILE 2 -4.987 9.537 1.646 18 2HD1 ILE 2 2HD1 ILE 2 -4.142 10.853 0.835 19 3HD1 ILE 2 3HD1 ILE 2 -5.066 11.171 2.301 20 H ASP 3 H ASP 3 -4.885 8.559 3.226 21 HA ASP 3 HA ASP 3 -5.522 6.530 5.091 22 1HB ASP 3 2HB ASP 3 -5.951 6.238 2.773 23 2HB ASP 3 1HB ASP 3 -4.279 6.600 2.346 24 H ARG 4 H ARG 4 -2.374 7.105 3.500 25 HA ARG 4 HA ARG 4 -0.181 6.623 4.239 26 1HB ARG 4 2HB ARG 4 -1.847 7.184 6.587 27 2HB ARG 4 1HB ARG 4 -0.467 6.152 6.961 28 1HG ARG 4 2HG ARG 4 0.886 7.880 5.538 29 2HG ARG 4 1HG ARG 4 -0.487 8.943 5.843 30 1HD ARG 4 2HD ARG 4 1.351 7.659 7.881 31 2HD ARG 4 1HD ARG 4 1.010 9.385 7.645 32 HE ARG 4 HE ARG 4 -1.486 8.303 8.129 33 1HH1 ARG 4 1HH1 ARG 4 0.814 9.751 9.921 34 2HH1 ARG 4 2HH1 ARG 4 0.487 8.932 11.413 35 1HH2 ARG 4 1HH2 ARG 4 -1.595 6.568 9.964 36 2HH2 ARG 4 2HH2 ARG 4 -0.875 7.128 11.438 37 HA PRO 5 HA PRO 5 -1.555 2.160 4.401 38 1HB PRO 5 2HB PRO 5 -0.513 1.449 1.970 39 2HB PRO 5 1HB PRO 5 -2.162 2.075 2.176 40 1HG PRO 5 2HG PRO 5 0.296 3.488 1.256 41 2HG PRO 5 1HG PRO 5 -1.375 3.638 0.685 42 1HD PRO 5 2HD PRO 5 -0.202 5.440 2.362 43 2HD PRO 5 1HD PRO 5 -1.950 5.117 2.342 44 H LYS 6 H LYS 6 0.140 0.238 3.706 45 HA LYS 6 HA LYS 6 2.950 0.761 3.796 46 1HB LYS 6 2HB LYS 6 3.282 0.173 6.233 47 2HB LYS 6 1HB LYS 6 2.477 1.721 5.966 48 1HG LYS 6 2HG LYS 6 0.512 -0.381 6.033 49 2HG LYS 6 1HG LYS 6 1.523 -0.475 7.474 50 1HD LYS 6 2HD LYS 6 0.842 2.280 6.835 51 2HD LYS 6 1HD LYS 6 -0.603 1.291 7.054 52 1HE LYS 6 2HE LYS 6 1.716 1.322 9.018 53 2HE LYS 6 1HE LYS 6 0.240 2.290 9.208 54 1HZ LYS 6 1HZ LYS 6 -1.070 0.437 9.434 55 2HZ LYS 6 2HZ LYS 6 0.350 -0.108 10.193 56 3HZ LYS 6 3HZ LYS 6 0.005 -0.573 8.596 57 H GLY 7 H GLY 7 0.261 -1.406 4.512 58 1HA GLY 7 2HA GLY 7 2.080 -3.743 4.133 59 2HA GLY 7 1HA GLY 7 0.513 -3.818 4.941 60 H LEU 8 H LEU 8 2.131 -4.083 1.933 61 HA LEU 8 HA LEU 8 -0.372 -3.867 0.363 62 1HB LEU 8 2HB LEU 8 1.087 -3.298 -1.298 63 2HB LEU 8 1HB LEU 8 2.326 -3.266 -0.049 64 HG LEU 8 HG LEU 8 2.459 -5.860 -0.524 65 1HD1 LEU 8 1HD1 LEU 8 0.925 -6.439 -2.108 66 2HD1 LEU 8 2HD1 LEU 8 2.116 -5.798 -3.240 67 3HD1 LEU 8 3HD1 LEU 8 0.775 -4.786 -2.703 68 1HD2 LEU 8 1HD2 LEU 8 4.454 -4.931 -1.088 69 2HD2 LEU 8 2HD2 LEU 8 3.690 -3.504 -1.789 70 3HD2 LEU 8 3HD2 LEU 8 3.843 -4.981 -2.741 71 H ALA 9 H ALA 9 -1.074 -5.699 -0.983 72 HA ALA 9 HA ALA 9 -0.112 -8.361 0.010 73 1HB ALA 9 1HB ALA 9 -2.967 -7.664 -0.699 74 2HB ALA 9 2HB ALA 9 -2.328 -7.440 0.930 75 3HB ALA 9 3HB ALA 9 -2.386 -9.053 0.219 76 H PHE 10 H PHE 10 -0.148 -10.045 -1.568 77 HA PHE 10 HA PHE 10 -0.381 -9.081 -4.393 78 1HB PHE 10 2HB PHE 10 1.266 -11.092 -2.898 79 2HB PHE 10 1HB PHE 10 0.976 -11.355 -4.618 80 HD1 PHE 10 HD1 PHE 10 1.468 -9.387 -6.224 81 HD2 PHE 10 HD2 PHE 10 2.926 -9.584 -2.189 82 HE1 PHE 10 HE1 PHE 10 3.213 -7.713 -6.772 83 HE2 PHE 10 HE2 PHE 10 4.672 -7.911 -2.737 84 HZ PHE 10 HZ PHE 10 4.815 -6.974 -5.029 85 H THR 11 H THR 11 -1.951 -9.991 -5.692 86 HA THR 11 HA THR 11 -3.646 -12.141 -4.525 87 HB THR 11 HB THR 11 -3.924 -10.055 -6.689 88 HG1 THR 11 HG1 THR 11 -5.125 -9.138 -5.233 89 1HG2 THR 11 1HG2 THR 11 -6.122 -10.972 -7.216 90 2HG2 THR 11 2HG2 THR 11 -5.880 -12.276 -6.055 91 3HG2 THR 11 3HG2 THR 11 -4.884 -12.193 -7.507 92 H ASP 12 H ASP 12 -1.965 -11.306 -7.573 93 HA ASP 12 HA ASP 12 -1.357 -14.138 -8.066 94 1HB ASP 12 2HB ASP 12 -3.774 -13.563 -8.807 95 2HB ASP 12 1HB ASP 12 -3.009 -12.634 -10.097 96 H VAL 13 H VAL 13 0.686 -14.113 -8.950 97 HA VAL 13 HA VAL 13 1.562 -11.632 -10.369 98 HB VAL 13 HB VAL 13 2.720 -12.345 -8.278 99 1HG1 VAL 13 1HG1 VAL 13 2.398 -14.888 -9.305 100 2HG1 VAL 13 2HG1 VAL 13 3.455 -14.466 -7.958 101 3HG1 VAL 13 3HG1 VAL 13 4.110 -14.577 -9.592 102 1HG2 VAL 13 1HG2 VAL 13 4.008 -11.068 -9.867 103 2HG2 VAL 13 2HG2 VAL 13 4.275 -12.489 -10.876 104 3HG2 VAL 13 3HG2 VAL 13 5.040 -12.375 -9.290 105 H ASP 14 H ASP 14 0.954 -12.113 -12.516 106 HA ASP 14 HA ASP 14 1.932 -14.677 -13.702 107 1HB ASP 14 2HB ASP 14 -0.481 -13.415 -13.812 108 2HB ASP 14 1HB ASP 14 0.291 -12.750 -15.252 109 H VAL 15 H VAL 15 3.518 -14.611 -15.329 110 HA VAL 15 HA VAL 15 5.447 -12.664 -15.539 111 HB VAL 15 HB VAL 15 5.623 -14.821 -16.596 112 1HG1 VAL 15 1HG1 VAL 15 4.193 -15.589 -18.325 113 2HG1 VAL 15 2HG1 VAL 15 3.535 -13.977 -18.600 114 3HG1 VAL 15 3HG1 VAL 15 3.117 -14.861 -17.134 115 1HG2 VAL 15 1HG2 VAL 15 6.042 -14.027 -19.064 116 2HG2 VAL 15 2HG2 VAL 15 7.044 -13.392 -17.762 117 3HG2 VAL 15 3HG2 VAL 15 5.716 -12.429 -18.401 118 H ASP 16 H ASP 16 2.310 -12.692 -17.174 119 HA ASP 16 HA ASP 16 2.903 -9.928 -18.189 120 1HB ASP 16 2HB ASP 16 2.291 -12.316 -19.555 121 2HB ASP 16 1HB ASP 16 0.808 -11.361 -19.600 122 H SER 17 H SER 17 1.739 -10.583 -15.596 123 HA SER 17 HA SER 17 -0.544 -8.857 -15.615 124 1HB SER 17 2HB SER 17 -2.231 -10.289 -16.078 125 2HB SER 17 1HB SER 17 -1.005 -11.460 -16.550 126 HG SER 17 HG SER 17 -2.667 -11.835 -14.692 127 H ILE 18 H ILE 18 -0.350 -7.980 -13.592 128 HA ILE 18 HA ILE 18 0.337 -9.828 -11.329 129 HB ILE 18 HB ILE 18 1.173 -6.939 -11.708 130 1HG1 ILE 18 2HG1 ILE 18 2.072 -8.589 -13.443 131 2HG1 ILE 18 1HG1 ILE 18 3.293 -7.740 -12.494 132 1HG2 ILE 18 1HG2 ILE 18 2.212 -9.111 -9.862 133 2HG2 ILE 18 2HG2 ILE 18 1.113 -7.821 -9.372 134 3HG2 ILE 18 3HG2 ILE 18 2.748 -7.431 -9.907 135 1HD1 ILE 18 1HD1 ILE 18 3.792 -10.162 -12.657 136 2HD1 ILE 18 2HD1 ILE 18 2.245 -10.520 -11.892 137 3HD1 ILE 18 3HD1 ILE 18 3.498 -9.668 -10.990 138 H LYS 19 H LYS 19 -1.457 -9.937 -10.025 139 HA LYS 19 HA LYS 19 -3.329 -7.646 -9.842 140 1HB LYS 19 2HB LYS 19 -3.281 -10.495 -8.802 141 2HB LYS 19 1HB LYS 19 -4.605 -9.371 -8.487 142 1HG LYS 19 2HG LYS 19 -3.708 -9.729 -11.316 143 2HG LYS 19 1HG LYS 19 -4.673 -11.009 -10.580 144 1HD LYS 19 2HD LYS 19 -5.764 -8.395 -9.955 145 2HD LYS 19 1HD LYS 19 -5.638 -8.631 -11.699 146 1HE LYS 19 2HE LYS 19 -7.100 -10.456 -11.696 147 2HE LYS 19 1HE LYS 19 -6.767 -10.841 -9.995 148 1HZ LYS 19 1HZ LYS 19 -7.873 -8.206 -10.627 149 2HZ LYS 19 2HZ LYS 19 -8.098 -9.169 -9.245 150 3HZ LYS 19 3HZ LYS 19 -8.926 -9.535 -10.683 151 H ILE 20 H ILE 20 -2.957 -6.125 -8.250 152 HA ILE 20 HA ILE 20 -1.617 -7.064 -5.729 153 HB ILE 20 HB ILE 20 -0.365 -5.020 -5.748 154 1HG1 ILE 20 2HG1 ILE 20 -0.869 -3.443 -7.805 155 2HG1 ILE 20 1HG1 ILE 20 -2.456 -4.207 -7.747 156 1HG2 ILE 20 1HG2 ILE 20 0.867 -5.218 -7.803 157 2HG2 ILE 20 2HG2 ILE 20 -0.534 -5.874 -8.651 158 3HG2 ILE 20 3HG2 ILE 20 0.279 -6.834 -7.415 159 1HD1 ILE 20 1HD1 ILE 20 -3.016 -3.202 -5.772 160 2HD1 ILE 20 2HD1 ILE 20 -1.802 -2.024 -6.272 161 3HD1 ILE 20 3HD1 ILE 20 -1.373 -3.305 -5.140 162 H ALA 21 H ALA 21 -2.243 -5.940 -3.793 163 HA ALA 21 HA ALA 21 -4.690 -4.237 -3.951 164 1HB ALA 21 1HB ALA 21 -4.375 -6.525 -2.000 165 2HB ALA 21 2HB ALA 21 -5.102 -6.764 -3.588 166 3HB ALA 21 3HB ALA 21 -5.850 -5.662 -2.435 167 H TRP 22 H TRP 22 -4.078 -2.384 -2.902 168 HA TRP 22 HA TRP 22 -1.940 -2.456 -0.861 169 1HB TRP 22 2HB TRP 22 -2.265 0.028 -1.013 170 2HB TRP 22 1HB TRP 22 -1.963 -0.733 -2.578 171 HD1 TRP 22 HD1 TRP 22 -4.817 0.703 -0.452 172 HE1 TRP 22 HE1 TRP 22 -6.775 1.309 -2.022 173 HE3 TRP 22 HE3 TRP 22 -3.026 -1.159 -4.853 174 HZ2 TRP 22 HZ2 TRP 22 -7.476 1.037 -4.779 175 HZ3 TRP 22 HZ3 TRP 22 -4.362 -0.969 -6.931 176 HH2 TRP 22 HH2 TRP 22 -6.585 0.124 -6.899 177 H GLU 23 H GLU 23 -2.236 -1.777 1.319 178 HA GLU 23 HA GLU 23 -4.397 -2.625 2.810 179 1HB GLU 23 2HB GLU 23 -2.076 -1.402 3.329 180 2HB GLU 23 1HB GLU 23 -3.135 -0.005 3.526 181 1HG GLU 23 2HG GLU 23 -4.566 -1.526 5.039 182 2HG GLU 23 1HG GLU 23 -3.172 -2.607 5.057 183 H SER 24 H SER 24 -6.480 -1.893 3.201 184 HA SER 24 HA SER 24 -7.769 -0.063 1.450 185 1HB SER 24 2HB SER 24 -9.590 -0.252 3.162 186 2HB SER 24 1HB SER 24 -8.914 -1.809 2.698 187 HG SER 24 HG SER 24 -9.179 -1.147 5.069 188 HA PRO 25 HA PRO 25 -6.753 3.833 3.192 189 1HB PRO 25 2HB PRO 25 -8.891 5.297 2.331 190 2HB PRO 25 1HB PRO 25 -7.584 4.766 1.253 191 1HG PRO 25 2HG PRO 25 -10.311 3.640 1.615 192 2HG PRO 25 1HG PRO 25 -9.334 3.784 0.146 193 1HD PRO 25 2HD PRO 25 -9.644 1.452 1.576 194 2HD PRO 25 1HD PRO 25 -8.261 1.801 0.515 195 H GLN 26 H GLN 26 -8.101 5.709 4.437 196 HA GLN 26 HA GLN 26 -9.933 4.373 6.398 197 1HB GLN 26 2HB GLN 26 -7.659 6.320 6.895 198 2HB GLN 26 1HB GLN 26 -8.746 5.701 8.139 199 1HG GLN 26 2HG GLN 26 -7.694 3.691 8.228 200 2HG GLN 26 1HG GLN 26 -7.525 3.603 6.474 201 1HE2 GLN 26 1HE2 GLN 26 -6.352 6.425 8.243 202 2HE2 GLN 26 2HE2 GLN 26 -4.700 6.098 8.031 203 H GLY 27 H GLY 27 -8.973 7.333 4.729 204 1HA GLY 27 2HA GLY 27 -11.515 8.607 5.662 205 2HA GLY 27 1HA GLY 27 -10.068 9.519 5.231 206 H GLN 28 H GLN 28 -11.371 6.755 3.446 207 HA GLN 28 HA GLN 28 -12.023 6.602 1.175 208 1HB GLN 28 2HB GLN 28 -13.777 8.064 2.506 209 2HB GLN 28 1HB GLN 28 -13.144 9.367 1.500 210 1HG GLN 28 2HG GLN 28 -13.509 7.244 -0.278 211 2HG GLN 28 1HG GLN 28 -14.925 7.183 0.772 212 1HE2 GLN 28 1HE2 GLN 28 -13.004 9.996 -0.431 213 2HE2 GLN 28 2HE2 GLN 28 -14.334 10.789 -1.130 214 H VAL 29 H VAL 29 -10.140 6.734 -0.066 215 HA VAL 29 HA VAL 29 -8.614 9.183 -0.405 216 HB VAL 29 HB VAL 29 -8.691 6.427 -1.624 217 1HG1 VAL 29 1HG1 VAL 29 -7.078 8.824 -2.510 218 2HG1 VAL 29 2HG1 VAL 29 -8.002 7.698 -3.504 219 3HG1 VAL 29 3HG1 VAL 29 -6.492 7.178 -2.754 220 1HG2 VAL 29 1HG2 VAL 29 -7.667 7.187 0.692 221 2HG2 VAL 29 2HG2 VAL 29 -6.338 7.751 -0.320 222 3HG2 VAL 29 3HG2 VAL 29 -6.795 6.049 -0.333 223 H SER 30 H SER 30 -8.999 10.801 -1.871 224 HA SER 30 HA SER 30 -11.275 10.608 -3.713 225 1HB SER 30 2HB SER 30 -10.617 12.618 -2.348 226 2HB SER 30 1HB SER 30 -9.177 12.768 -3.347 227 HG SER 30 HG SER 30 -10.856 12.680 -5.138 228 H ARG 31 H ARG 31 -7.842 10.139 -3.853 229 HA ARG 31 HA ARG 31 -8.021 9.427 -6.708 230 1HB ARG 31 2HB ARG 31 -7.629 11.971 -6.392 231 2HB ARG 31 1HB ARG 31 -6.011 11.506 -5.865 232 1HG ARG 31 2HG ARG 31 -5.746 10.220 -8.005 233 2HG ARG 31 1HG ARG 31 -7.297 10.870 -8.536 234 1HD ARG 31 2HD ARG 31 -5.817 13.106 -7.649 235 2HD ARG 31 1HD ARG 31 -4.697 12.132 -8.623 236 HE ARG 31 HE ARG 31 -7.086 12.096 -10.057 237 1HH1 ARG 31 1HH2 ARG 31 -4.724 13.293 -11.306 238 2HH1 ARG 31 2HH2 ARG 31 -5.148 14.967 -11.447 239 1HH2 ARG 31 1HH1 ARG 31 -7.743 14.773 -9.154 240 2HH2 ARG 31 2HH1 ARG 31 -6.859 15.805 -10.227 241 H TYR 32 H TYR 32 -6.356 8.000 -7.296 242 HA TYR 32 HA TYR 32 -4.342 7.367 -5.166 243 1HB TYR 32 2HB TYR 32 -6.530 5.883 -5.729 244 2HB TYR 32 1HB TYR 32 -5.411 5.212 -6.916 245 HD1 TYR 32 HD1 TYR 32 -6.340 5.350 -3.426 246 HD2 TYR 32 HD2 TYR 32 -3.155 4.361 -6.130 247 HE1 TYR 32 HE1 TYR 32 -5.233 4.034 -1.640 248 HE2 TYR 32 HE2 TYR 32 -2.047 3.046 -4.345 249 HH TYR 32 HH TYR 32 -2.727 1.866 -2.244 250 H ARG 33 H ARG 33 -2.257 7.150 -5.937 251 HA ARG 33 HA ARG 33 -1.891 7.241 -8.907 252 1HB ARG 33 2HB ARG 33 -1.156 9.124 -7.265 253 2HB ARG 33 1HB ARG 33 0.144 8.016 -6.826 254 1HG ARG 33 2HG ARG 33 1.268 8.438 -8.735 255 2HG ARG 33 1HG ARG 33 -0.180 8.198 -9.714 256 1HD ARG 33 2HD ARG 33 -0.005 10.448 -10.110 257 2HD ARG 33 1HD ARG 33 -0.721 10.612 -8.493 258 HE ARG 33 HE ARG 33 2.021 11.204 -9.153 259 1HH1 ARG 33 1HH1 ARG 33 -0.110 11.405 -6.677 260 2HH1 ARG 33 2HH1 ARG 33 0.996 11.000 -5.406 261 1HH2 ARG 33 1HH2 ARG 33 3.508 9.968 -7.562 262 2HH2 ARG 33 2HH2 ARG 33 3.044 10.186 -5.908 263 H VAL 34 H VAL 34 -1.887 4.904 -9.153 264 HA VAL 34 HA VAL 34 0.140 3.354 -7.649 265 HB VAL 34 HB VAL 34 -1.785 2.555 -9.854 266 1HG1 VAL 34 1HG1 VAL 34 -0.666 0.789 -7.686 267 2HG1 VAL 34 2HG1 VAL 34 0.257 1.088 -9.159 268 3HG1 VAL 34 3HG1 VAL 34 -1.332 0.330 -9.253 269 1HG2 VAL 34 1HG2 VAL 34 -3.072 1.644 -7.793 270 2HG2 VAL 34 2HG2 VAL 34 -3.166 3.375 -8.116 271 3HG2 VAL 34 3HG2 VAL 34 -2.090 2.771 -6.857 272 H THR 35 H THR 35 2.104 4.267 -8.527 273 HA THR 35 HA THR 35 2.495 4.099 -11.466 274 HB THR 35 HB THR 35 4.820 5.033 -10.273 275 HG1 THR 35 HG1 THR 35 4.318 5.881 -8.427 276 1HG2 THR 35 1HG2 THR 35 2.370 6.604 -11.118 277 2HG2 THR 35 2HG2 THR 35 3.641 6.025 -12.196 278 3HG2 THR 35 3HG2 THR 35 4.006 7.250 -10.980 279 H TYR 36 H TYR 36 3.883 2.636 -12.407 280 HA TYR 36 HA TYR 36 5.555 0.901 -10.651 281 1HB TYR 36 2HB TYR 36 4.704 -0.936 -12.416 282 2HB TYR 36 1HB TYR 36 3.790 -0.585 -10.952 283 HD1 TYR 36 HD1 TYR 36 1.961 1.270 -11.118 284 HD2 TYR 36 HD2 TYR 36 3.697 -0.690 -14.528 285 HE1 TYR 36 HE1 TYR 36 0.014 1.947 -12.502 286 HE2 TYR 36 HE2 TYR 36 1.751 -0.010 -15.906 287 HH TYR 36 HH TYR 36 -0.629 0.618 -15.541 288 H SER 37 H SER 37 7.578 0.486 -11.556 289 HA SER 37 HA SER 37 7.935 1.157 -14.447 290 1HB SER 37 2HB SER 37 10.054 2.365 -13.607 291 2HB SER 37 1HB SER 37 8.509 3.157 -13.338 292 HG SER 37 HG SER 37 8.653 2.759 -11.248 293 H SER 38 H SER 38 10.458 0.774 -14.903 294 HA SER 38 HA SER 38 11.415 -1.717 -13.585 295 1HB SER 38 2HB SER 38 10.023 -1.527 -16.068 296 2HB SER 38 1HB SER 38 11.698 -1.924 -16.436 297 HG SER 38 HG SER 38 11.364 -3.516 -14.609 298 HA PRO 39 HA PRO 39 15.314 0.195 -14.291 299 1HB PRO 39 2HB PRO 39 16.960 -1.968 -14.569 300 2HB PRO 39 1HB PRO 39 16.251 -1.482 -13.015 301 1HG PRO 39 2HG PRO 39 15.442 -3.667 -14.861 302 2HG PRO 39 1HG PRO 39 15.412 -3.612 -13.092 303 1HD PRO 39 2HD PRO 39 13.201 -3.273 -14.701 304 2HD PRO 39 1HD PRO 39 13.336 -2.672 -13.034 305 H GLU 40 H GLU 40 13.797 0.167 -16.713 306 HA GLU 40 HA GLU 40 15.633 0.652 -18.750 307 1HB GLU 40 2HB GLU 40 15.377 -2.179 -18.096 308 2HB GLU 40 1HB GLU 40 14.974 -1.876 -19.786 309 1HG GLU 40 2HG GLU 40 17.399 -0.524 -18.687 310 2HG GLU 40 1HG GLU 40 17.502 -2.258 -19.002 311 H ASP 41 H ASP 41 12.812 -1.562 -18.630 312 HA ASP 41 HA ASP 41 11.480 -0.758 -20.944 313 1HB ASP 41 2HB ASP 41 10.298 -1.401 -18.224 314 2HB ASP 41 1HB ASP 41 9.470 -1.569 -19.772 315 H GLY 42 H GLY 42 11.398 0.772 -17.743 316 1HA GLY 42 2HA GLY 42 11.320 3.278 -17.765 317 2HA GLY 42 1HA GLY 42 10.087 3.132 -19.014 318 H ILE 43 H ILE 43 8.661 4.390 -17.557 319 HA ILE 43 HA ILE 43 7.512 2.673 -15.392 320 HB ILE 43 HB ILE 43 8.887 4.555 -14.572 321 1HG1 ILE 43 2HG1 ILE 43 6.018 5.324 -14.081 322 2HG1 ILE 43 1HG1 ILE 43 6.607 3.756 -13.530 323 1HG2 ILE 43 1HG2 ILE 43 8.865 6.414 -15.857 324 2HG2 ILE 43 2HG2 ILE 43 7.324 6.796 -15.087 325 3HG2 ILE 43 3HG2 ILE 43 7.351 5.947 -16.633 326 1HD1 ILE 43 1HD1 ILE 43 8.612 5.482 -12.719 327 2HD1 ILE 43 2HD1 ILE 43 7.328 4.852 -11.687 328 3HD1 ILE 43 3HD1 ILE 43 7.147 6.428 -12.456 329 H HIS 44 H HIS 44 5.266 3.261 -14.838 330 HA HIS 44 HA HIS 44 3.673 4.668 -16.905 331 1HB HIS 44 2HB HIS 44 4.012 2.189 -17.489 332 2HB HIS 44 1HB HIS 44 3.058 1.830 -16.050 333 HD1 HIS 44 HD1 HIS 44 1.001 0.944 -17.330 334 HD2 HIS 44 HD2 HIS 44 2.070 4.827 -18.407 335 HE1 HIS 44 HE1 HIS 44 -0.902 1.850 -18.739 336 H GLU 45 H GLU 45 1.928 5.700 -15.867 337 HA GLU 45 HA GLU 45 1.599 5.044 -12.969 338 1HB GLU 45 2HB GLU 45 1.049 7.356 -12.691 339 2HB GLU 45 1HB GLU 45 2.439 7.305 -13.773 340 1HG GLU 45 2HG GLU 45 0.897 7.464 -15.720 341 2HG GLU 45 1HG GLU 45 -0.461 7.603 -14.603 342 H LEU 46 H LEU 46 -0.290 4.200 -12.297 343 HA LEU 46 HA LEU 46 -2.686 4.351 -14.098 344 1HB LEU 46 2HB LEU 46 -1.639 2.108 -13.527 345 2HB LEU 46 1HB LEU 46 -2.040 2.419 -11.838 346 HG LEU 46 HG LEU 46 -4.454 2.748 -12.617 347 1HD1 LEU 46 1HD1 LEU 46 -5.019 2.442 -14.789 348 2HD1 LEU 46 2HD1 LEU 46 -3.972 1.032 -14.950 349 3HD1 LEU 46 3HD1 LEU 46 -3.300 2.653 -15.122 350 1HD2 LEU 46 1HD2 LEU 46 -3.408 -0.030 -13.187 351 2HD2 LEU 46 2HD2 LEU 46 -4.920 0.431 -12.403 352 3HD2 LEU 46 3HD2 LEU 46 -3.388 0.640 -11.555 353 H PHE 47 H PHE 47 -4.071 5.945 -13.334 354 HA PHE 47 HA PHE 47 -4.509 6.102 -10.375 355 1HB PHE 47 2HB PHE 47 -4.246 8.539 -10.504 356 2HB PHE 47 1HB PHE 47 -2.796 7.742 -11.117 357 HD1 PHE 47 HD1 PHE 47 -2.774 7.241 -13.700 358 HD2 PHE 47 HD2 PHE 47 -5.292 10.170 -11.822 359 HE1 PHE 47 HE1 PHE 47 -3.054 8.393 -15.876 360 HE2 PHE 47 HE2 PHE 47 -5.571 11.325 -13.999 361 HZ PHE 47 HZ PHE 47 -4.452 10.436 -16.026 362 HA PRO 48 HA PRO 48 -8.436 6.567 -12.807 363 1HB PRO 48 2HB PRO 48 -9.665 4.259 -12.034 364 2HB PRO 48 1HB PRO 48 -8.617 4.354 -13.463 365 1HG PRO 48 2HG PRO 48 -8.060 3.214 -10.788 366 2HG PRO 48 1HG PRO 48 -7.438 2.737 -12.374 367 1HD PRO 48 2HD PRO 48 -6.057 4.250 -10.472 368 2HD PRO 48 1HD PRO 48 -5.638 4.111 -12.192 369 H ALA 49 H ALA 49 -7.809 7.918 -10.565 370 HA ALA 49 HA ALA 49 -8.489 7.933 -8.083 371 1HB ALA 49 1HB ALA 49 -9.045 9.695 -10.198 372 2HB ALA 49 2HB ALA 49 -8.999 10.088 -8.479 373 3HB ALA 49 3HB ALA 49 -10.524 9.637 -9.238 374 HA PRO 50 HA PRO 50 -12.126 5.168 -8.120 375 1HB PRO 50 2HB PRO 50 -11.480 3.925 -5.774 376 2HB PRO 50 1HB PRO 50 -10.822 3.426 -7.345 377 1HG PRO 50 2HG PRO 50 -9.563 5.065 -5.202 378 2HG PRO 50 1HG PRO 50 -8.842 3.838 -6.256 379 1HD PRO 50 2HD PRO 50 -8.558 6.530 -6.653 380 2HD PRO 50 1HD PRO 50 -8.481 5.326 -7.959 381 H ASP 51 H ASP 51 -13.268 4.606 -5.647 382 HA ASP 51 HA ASP 51 -13.524 7.170 -4.161 383 1HB ASP 51 2HB ASP 51 -15.045 6.983 -6.260 384 2HB ASP 51 1HB ASP 51 -15.961 5.825 -5.296 385 H GLY 52 H GLY 52 -12.553 5.571 -2.580 386 1HA GLY 52 2HA GLY 52 -12.735 3.986 -0.842 387 2HA GLY 52 1HA GLY 52 -14.310 4.744 -0.599 388 H GLU 53 H GLU 53 -13.088 2.734 -3.282 389 HA GLU 53 HA GLU 53 -14.993 0.588 -2.561 390 1HB GLU 53 2HB GLU 53 -15.212 2.526 -4.805 391 2HB GLU 53 1HB GLU 53 -15.593 0.846 -5.182 392 1HG GLU 53 2HG GLU 53 -17.411 0.787 -3.741 393 2HG GLU 53 1HG GLU 53 -16.759 2.055 -2.703 394 H GLU 54 H GLU 54 -12.480 1.786 -4.751 395 HA GLU 54 HA GLU 54 -11.751 -1.017 -5.458 396 1HB GLU 54 2HB GLU 54 -11.191 1.731 -6.595 397 2HB GLU 54 1HB GLU 54 -10.336 0.295 -7.164 398 1HG GLU 54 2HG GLU 54 -13.009 -0.493 -7.146 399 2HG GLU 54 1HG GLU 54 -13.063 1.170 -7.736 400 H ASP 55 H ASP 55 -10.203 -1.870 -4.106 401 HA ASP 55 HA ASP 55 -8.070 -0.031 -3.067 402 1HB ASP 55 2HB ASP 55 -7.959 -1.720 -1.202 403 2HB ASP 55 1HB ASP 55 -9.525 -0.916 -1.329 404 H THR 56 H THR 56 -8.395 -1.993 -5.549 405 HA THR 56 HA THR 56 -5.679 -3.213 -5.205 406 HB THR 56 HB THR 56 -6.782 -5.123 -6.609 407 HG1 THR 56 HG1 THR 56 -9.106 -4.315 -5.291 408 1HG2 THR 56 1HG2 THR 56 -6.535 -6.166 -4.638 409 2HG2 THR 56 2HG2 THR 56 -8.051 -5.463 -4.073 410 3HG2 THR 56 3HG2 THR 56 -6.531 -4.607 -3.815 411 H ALA 57 H ALA 57 -4.615 -3.639 -7.314 412 HA ALA 57 HA ALA 57 -5.696 -1.922 -9.527 413 1HB ALA 57 1HB ALA 57 -3.871 -0.673 -8.985 414 2HB ALA 57 2HB ALA 57 -2.964 -1.928 -9.829 415 3HB ALA 57 3HB ALA 57 -3.133 -1.991 -8.075 416 H GLU 58 H GLU 58 -5.254 -2.677 -11.672 417 HA GLU 58 HA GLU 58 -4.570 -5.589 -11.842 418 1HB GLU 58 2HB GLU 58 -6.396 -3.692 -13.270 419 2HB GLU 58 1HB GLU 58 -5.790 -5.098 -14.147 420 1HG GLU 58 2HG GLU 58 -6.939 -6.595 -12.824 421 2HG GLU 58 1HG GLU 58 -6.856 -5.558 -11.399 422 H LEU 59 H LEU 59 -2.230 -5.121 -11.952 423 HA LEU 59 HA LEU 59 -1.196 -3.448 -14.129 424 1HB LEU 59 2HB LEU 59 0.018 -5.357 -12.106 425 2HB LEU 59 1HB LEU 59 0.985 -4.440 -13.261 426 HG LEU 59 HG LEU 59 -0.758 -3.372 -11.030 427 1HD1 LEU 59 1HD1 LEU 59 2.043 -2.523 -11.697 428 2HD1 LEU 59 2HD1 LEU 59 1.784 -4.055 -10.864 429 3HD1 LEU 59 3HD1 LEU 59 1.229 -2.549 -10.134 430 1HD2 LEU 59 1HD2 LEU 59 0.201 -1.121 -12.119 431 2HD2 LEU 59 2HD2 LEU 59 -1.338 -1.809 -12.635 432 3HD2 LEU 59 3HD2 LEU 59 0.118 -2.092 -13.588 433 H GLN 60 H GLN 60 -2.523 -4.776 -15.741 434 HA GLN 60 HA GLN 60 -1.334 -7.414 -16.374 435 1HB GLN 60 2HB GLN 60 -3.687 -5.955 -17.587 436 2HB GLN 60 1HB GLN 60 -3.335 -7.679 -17.699 437 1HG GLN 60 2HG GLN 60 -3.742 -6.315 -15.026 438 2HG GLN 60 1HG GLN 60 -5.093 -6.972 -15.949 439 1HE2 GLN 60 1HE2 GLN 60 -2.176 -7.843 -14.140 440 2HE2 GLN 60 2HE2 GLN 60 -2.499 -9.508 -14.074 441 H GLY 61 H GLY 61 0.319 -7.456 -17.832 442 1HA GLY 61 2HA GLY 61 0.880 -7.072 -20.243 443 2HA GLY 61 1HA GLY 61 0.306 -5.419 -20.024 444 H LEU 62 H LEU 62 2.807 -7.690 -18.840 445 HA LEU 62 HA LEU 62 4.606 -5.311 -18.468 446 1HB LEU 62 2HB LEU 62 4.755 -7.836 -16.823 447 2HB LEU 62 1HB LEU 62 5.337 -6.222 -16.415 448 HG LEU 62 HG LEU 62 2.408 -6.949 -16.729 449 1HD1 LEU 62 1HD1 LEU 62 4.118 -6.615 -14.252 450 2HD1 LEU 62 2HD1 LEU 62 3.339 -8.100 -14.799 451 3HD1 LEU 62 3HD1 LEU 62 2.360 -6.741 -14.246 452 1HD2 LEU 62 1HD2 LEU 62 3.298 -4.526 -17.090 453 2HD2 LEU 62 2HD2 LEU 62 3.580 -4.531 -15.349 454 3HD2 LEU 62 3HD2 LEU 62 1.948 -4.755 -15.978 455 H ARG 63 H ARG 63 6.933 -6.756 -17.867 456 HA ARG 63 HA ARG 63 7.554 -7.946 -20.522 457 1HB ARG 63 2HB ARG 63 9.159 -6.907 -18.175 458 2HB ARG 63 1HB ARG 63 9.914 -7.693 -19.563 459 1HG ARG 63 2HG ARG 63 8.144 -5.230 -19.674 460 2HG ARG 63 1HG ARG 63 9.898 -5.246 -19.855 461 1HD ARG 63 2HD ARG 63 9.628 -5.632 -22.070 462 2HD ARG 63 1HD ARG 63 8.844 -7.175 -21.677 463 HE ARG 63 HE ARG 63 6.706 -6.093 -21.810 464 1HH1 ARG 63 1HH2 ARG 63 8.288 -4.693 -24.069 465 2HH1 ARG 63 2HH2 ARG 63 7.812 -3.048 -23.809 466 1HH2 ARG 63 1HH1 ARG 63 6.545 -3.636 -20.635 467 2HH2 ARG 63 2HH1 ARG 63 6.825 -2.450 -21.867 468 HA PRO 64 HA PRO 64 7.824 -11.976 -18.797 469 1HB PRO 64 2HB PRO 64 9.461 -13.161 -20.626 470 2HB PRO 64 1HB PRO 64 7.782 -12.710 -20.982 471 1HG PRO 64 2HG PRO 64 10.293 -11.433 -21.853 472 2HG PRO 64 1HG PRO 64 8.697 -11.423 -22.615 473 1HD PRO 64 2HD PRO 64 9.863 -9.349 -21.072 474 2HD PRO 64 1HD PRO 64 8.191 -9.431 -21.670 475 H GLY 65 H GLY 65 8.994 -12.054 -16.849 476 1HA GLY 65 2HA GLY 65 10.850 -12.758 -15.555 477 2HA GLY 65 1HA GLY 65 11.815 -12.809 -17.029 478 H SER 66 H SER 66 10.368 -10.529 -14.707 479 HA SER 66 HA SER 66 12.822 -8.914 -14.762 480 1HB SER 66 2HB SER 66 12.099 -7.272 -16.158 481 2HB SER 66 1HB SER 66 10.918 -8.457 -16.706 482 HG SER 66 HG SER 66 9.571 -7.649 -14.950 483 H GLU 67 H GLU 67 13.063 -8.114 -12.705 484 HA GLU 67 HA GLU 67 11.023 -8.390 -10.688 485 1HB GLU 67 2HB GLU 67 13.624 -8.294 -10.563 486 2HB GLU 67 1HB GLU 67 13.406 -6.544 -10.554 487 1HG GLU 67 2HG GLU 67 12.830 -6.577 -8.376 488 2HG GLU 67 1HG GLU 67 11.563 -7.764 -8.694 489 H TYR 68 H TYR 68 9.177 -7.205 -11.522 490 HA TYR 68 HA TYR 68 9.334 -4.430 -12.307 491 1HB TYR 68 2HB TYR 68 7.475 -6.565 -12.245 492 2HB TYR 68 1HB TYR 68 6.745 -5.240 -11.338 493 HD1 TYR 68 HD1 TYR 68 7.774 -6.430 -14.614 494 HD2 TYR 68 HD2 TYR 68 6.531 -2.975 -12.388 495 HE1 TYR 68 HE1 TYR 68 7.289 -5.240 -16.734 496 HE2 TYR 68 HE2 TYR 68 6.045 -1.784 -14.507 497 HH TYR 68 HH TYR 68 5.462 -2.971 -17.190 498 H THR 69 H THR 69 9.273 -2.622 -11.037 499 HA THR 69 HA THR 69 8.830 -2.989 -8.094 500 HB THR 69 HB THR 69 10.095 -0.567 -9.310 501 HG1 THR 69 HG1 THR 69 11.977 -1.636 -9.677 502 1HG2 THR 69 1HG2 THR 69 10.638 -2.284 -6.878 503 2HG2 THR 69 2HG2 THR 69 9.852 -0.706 -6.894 504 3HG2 THR 69 3HG2 THR 69 11.561 -0.845 -7.310 505 H VAL 70 H VAL 70 6.665 -2.479 -7.725 506 HA VAL 70 HA VAL 70 5.503 -0.156 -9.186 507 HB VAL 70 HB VAL 70 4.269 -2.385 -7.559 508 1HG1 VAL 70 1HG1 VAL 70 2.149 -1.588 -8.626 509 2HG1 VAL 70 2HG1 VAL 70 3.035 -0.208 -9.277 510 3HG1 VAL 70 3HG1 VAL 70 2.855 -0.398 -7.532 511 1HG2 VAL 70 1HG2 VAL 70 4.567 -3.605 -9.435 512 2HG2 VAL 70 2HG2 VAL 70 5.251 -2.213 -10.276 513 3HG2 VAL 70 3HG2 VAL 70 3.506 -2.477 -10.279 514 H SER 71 H SER 71 4.698 1.634 -8.085 515 HA SER 71 HA SER 71 5.232 1.730 -5.132 516 1HB SER 71 2HB SER 71 4.931 4.249 -6.620 517 2HB SER 71 1HB SER 71 6.213 3.751 -5.519 518 HG SER 71 HG SER 71 5.986 3.468 -8.281 519 H VAL 72 H VAL 72 3.282 1.500 -4.086 520 HA VAL 72 HA VAL 72 0.768 2.425 -5.338 521 HB VAL 72 HB VAL 72 1.539 0.974 -2.792 522 1HG1 VAL 72 1HG1 VAL 72 -0.547 1.202 -1.955 523 2HG1 VAL 72 2HG1 VAL 72 -1.289 0.898 -3.526 524 3HG1 VAL 72 3HG1 VAL 72 -0.753 2.522 -3.105 525 1HG2 VAL 72 1HG2 VAL 72 1.645 -0.160 -5.079 526 2HG2 VAL 72 2HG2 VAL 72 -0.106 0.029 -5.152 527 3HG2 VAL 72 3HG2 VAL 72 0.623 -0.952 -3.880 528 H VAL 73 H VAL 73 0.331 4.609 -5.134 529 HA VAL 73 HA VAL 73 0.916 5.895 -2.482 530 HB VAL 73 HB VAL 73 0.877 7.090 -5.273 531 1HG1 VAL 73 1HG1 VAL 73 1.704 8.228 -2.584 532 2HG1 VAL 73 2HG1 VAL 73 0.289 8.707 -3.521 533 3HG1 VAL 73 3HG1 VAL 73 1.908 9.043 -4.135 534 1HG2 VAL 73 1HG2 VAL 73 2.810 5.453 -4.129 535 2HG2 VAL 73 2HG2 VAL 73 3.398 7.077 -3.775 536 3HG2 VAL 73 3HG2 VAL 73 3.085 6.598 -5.443 537 H ALA 74 H ALA 74 -0.652 7.540 -1.813 538 HA ALA 74 HA ALA 74 -3.340 7.263 -3.131 539 1HB ALA 74 1HB ALA 74 -2.548 6.366 -0.650 540 2HB ALA 74 2HB ALA 74 -4.215 6.736 -1.093 541 3HB ALA 74 3HB ALA 74 -3.234 7.945 -0.266 542 H LEU 75 H LEU 75 -4.789 9.234 -2.394 543 HA LEU 75 HA LEU 75 -3.130 11.707 -2.143 544 1HB LEU 75 2HB LEU 75 -5.250 11.049 -4.193 545 2HB LEU 75 1HB LEU 75 -4.553 12.655 -3.976 546 HG LEU 75 HG LEU 75 -2.965 10.152 -4.567 547 1HD1 LEU 75 1HD1 LEU 75 -3.894 12.438 -6.330 548 2HD1 LEU 75 2HD1 LEU 75 -4.263 10.723 -6.520 549 3HD1 LEU 75 3HD1 LEU 75 -2.622 11.307 -6.796 550 1HD2 LEU 75 1HD2 LEU 75 -1.314 11.458 -3.695 551 2HD2 LEU 75 2HD2 LEU 75 -2.302 12.918 -3.777 552 3HD2 LEU 75 3HD2 LEU 75 -1.435 12.357 -5.206 553 H HIS 76 H HIS 76 -4.676 13.662 -1.902 554 HA HIS 76 HA HIS 76 -7.329 13.367 -0.867 555 1HB HIS 76 2HB HIS 76 -5.596 12.224 0.809 556 2HB HIS 76 1HB HIS 76 -5.380 13.888 1.349 557 HD1 HIS 76 HD1 HIS 76 -6.696 13.888 3.507 558 HD2 HIS 76 HD2 HIS 76 -8.867 12.280 0.332 559 HE1 HIS 76 HE1 HIS 76 -9.058 13.537 4.358 560 H ASP 77 H ASP 77 -7.478 15.310 -2.186 561 HA ASP 77 HA ASP 77 -7.491 17.652 -2.514 562 1HB ASP 77 2HB ASP 77 -6.960 17.307 0.441 563 2HB ASP 77 1HB ASP 77 -7.067 18.912 -0.279 564 H ASP 78 H ASP 78 -4.943 17.560 -0.040 565 HA ASP 78 HA ASP 78 -2.920 18.196 -2.154 566 1HB ASP 78 2HB ASP 78 -3.581 19.648 0.419 567 2HB ASP 78 1HB ASP 78 -2.051 19.885 -0.428 568 H MET 79 H MET 79 -2.724 15.710 -1.514 569 HA MET 79 HA MET 79 -0.418 15.494 0.298 570 1HB MET 79 2HB MET 79 -3.203 14.658 0.992 571 2HB MET 79 1HB MET 79 -1.872 13.640 1.541 572 1HG MET 79 2HG MET 79 -0.864 16.019 2.251 573 2HG MET 79 1HG MET 79 -2.578 16.423 2.336 574 1HE MET 79 1HE MET 79 0.290 15.510 3.992 575 2HE MET 79 2HE MET 79 0.182 13.782 3.661 576 3HE MET 79 3HE MET 79 -0.044 14.369 5.306 577 H GLU 80 H GLU 80 0.528 13.322 0.226 578 HA GLU 80 HA GLU 80 -0.573 11.481 -1.841 579 1HB GLU 80 2HB GLU 80 1.913 11.352 -2.640 580 2HB GLU 80 1HB GLU 80 0.940 12.732 -3.148 581 1HG GLU 80 2HG GLU 80 1.869 14.094 -1.348 582 2HG GLU 80 1HG GLU 80 2.779 12.710 -0.742 583 H SER 81 H SER 81 -1.017 10.000 -0.114 584 HA SER 81 HA SER 81 0.393 9.205 2.086 585 1HB SER 81 2HB SER 81 -0.758 7.166 1.856 586 2HB SER 81 1HB SER 81 -1.708 8.256 0.850 587 HG SER 81 HG SER 81 0.230 6.340 0.074 588 H GLN 82 H GLN 82 2.292 8.053 2.550 589 HA GLN 82 HA GLN 82 4.583 8.144 1.091 590 1HB GLN 82 2HB GLN 82 3.630 5.759 2.707 591 2HB GLN 82 1HB GLN 82 5.310 6.200 2.405 592 1HG GLN 82 2HG GLN 82 3.266 7.646 4.100 593 2HG GLN 82 1HG GLN 82 4.866 7.070 4.564 594 1HE2 GLN 82 1HE2 GLN 82 3.122 9.778 3.282 595 2HE2 GLN 82 2HE2 GLN 82 4.466 10.765 2.966 596 HA PRO 83 HA PRO 83 3.880 5.733 -2.519 597 1HB PRO 83 2HB PRO 83 6.489 5.467 -3.300 598 2HB PRO 83 1HB PRO 83 5.569 6.973 -3.495 599 1HG PRO 83 2HG PRO 83 7.556 6.229 -1.400 600 2HG PRO 83 1HG PRO 83 7.313 7.777 -2.226 601 1HD PRO 83 2HD PRO 83 6.403 7.281 0.297 602 2HD PRO 83 1HD PRO 83 5.607 8.415 -0.817 603 H LEU 84 H LEU 84 3.212 3.894 -1.055 604 HA LEU 84 HA LEU 84 4.947 2.001 0.106 605 1HB LEU 84 2HB LEU 84 2.555 2.025 0.463 606 2HB LEU 84 1HB LEU 84 2.250 1.762 -1.253 607 HG LEU 84 HG LEU 84 3.435 -0.440 -1.068 608 1HD1 LEU 84 1HD1 LEU 84 3.414 -1.181 1.498 609 2HD1 LEU 84 2HD1 LEU 84 3.683 0.544 1.745 610 3HD1 LEU 84 3HD1 LEU 84 4.822 -0.397 0.781 611 1HD2 LEU 84 1HD2 LEU 84 1.120 -0.100 0.863 612 2HD2 LEU 84 2HD2 LEU 84 1.569 -1.575 0.011 613 3HD2 LEU 84 3HD2 LEU 84 0.945 -0.194 -0.888 614 H ILE 85 H ILE 85 6.534 0.812 -0.877 615 HA ILE 85 HA ILE 85 6.587 0.480 -3.797 616 HB ILE 85 HB ILE 85 8.361 -0.191 -1.449 617 1HG1 ILE 85 2HG1 ILE 85 8.301 2.132 -2.291 618 2HG1 ILE 85 1HG1 ILE 85 9.870 1.388 -2.601 619 1HG2 ILE 85 1HG2 ILE 85 8.400 -1.338 -4.181 620 2HG2 ILE 85 2HG2 ILE 85 9.099 -1.965 -2.690 621 3HG2 ILE 85 3HG2 ILE 85 9.944 -0.715 -3.602 622 1HD1 ILE 85 1HD1 ILE 85 9.571 2.032 -4.750 623 2HD1 ILE 85 2HD1 ILE 85 7.853 2.340 -4.502 624 3HD1 ILE 85 3HD1 ILE 85 8.413 0.705 -4.852 625 H GLY 86 H GLY 86 6.690 -1.614 -4.843 626 1HA GLY 86 2HA GLY 86 6.004 -4.012 -3.285 627 2HA GLY 86 1HA GLY 86 4.764 -3.472 -4.419 628 H THR 87 H THR 87 8.193 -4.408 -4.244 629 HA THR 87 HA THR 87 8.447 -4.704 -7.138 630 HB THR 87 HB THR 87 10.191 -5.827 -4.935 631 HG1 THR 87 HG1 THR 87 9.622 -3.234 -5.633 632 1HG2 THR 87 1HG2 THR 87 10.778 -4.839 -7.736 633 2HG2 THR 87 2HG2 THR 87 10.745 -6.526 -7.222 634 3HG2 THR 87 3HG2 THR 87 11.979 -5.435 -6.592 635 H GLN 88 H GLN 88 8.815 -6.791 -8.205 636 HA GLN 88 HA GLN 88 8.251 -9.297 -6.822 637 1HB GLN 88 2HB GLN 88 6.008 -8.415 -6.877 638 2HB GLN 88 1HB GLN 88 6.183 -7.933 -8.565 639 1HG GLN 88 2HG GLN 88 4.951 -9.951 -8.666 640 2HG GLN 88 1HG GLN 88 6.604 -10.438 -9.039 641 1HE2 GLN 88 1HE2 GLN 88 6.916 -12.440 -8.043 642 2HE2 GLN 88 2HE2 GLN 88 6.500 -12.795 -6.434 643 H SER 89 H SER 89 8.958 -11.025 -8.098 644 HA SER 89 HA SER 89 10.281 -10.353 -10.647 645 1HB SER 89 2HB SER 89 10.996 -11.912 -8.634 646 2HB SER 89 1HB SER 89 10.026 -13.112 -9.480 647 HG SER 89 HG SER 89 12.190 -11.599 -10.542 648 H THR 90 H THR 90 8.803 -10.182 -12.336 649 HA THR 90 HA THR 90 6.343 -11.600 -12.565 650 HB THR 90 HB THR 90 7.254 -11.084 -15.149 651 HG1 THR 90 HG1 THR 90 8.718 -9.592 -15.036 652 1HG2 THR 90 1HG2 THR 90 5.117 -10.353 -14.399 653 2HG2 THR 90 2HG2 THR 90 6.018 -8.887 -14.784 654 3HG2 THR 90 3HG2 THR 90 5.825 -9.388 -13.104 655 H ALA 91 H ALA 91 6.055 -13.777 -12.863 656 HA ALA 91 HA ALA 91 8.103 -15.678 -13.322 657 1HB ALA 91 1HB ALA 91 5.218 -15.519 -13.155 658 2HB ALA 91 2HB ALA 91 6.273 -16.877 -12.757 659 3HB ALA 91 3HB ALA 91 5.694 -16.666 -14.408 660 H ILE 92 H ILE 92 7.342 -17.219 -15.490 661 HA ILE 92 HA ILE 92 7.629 -15.408 -17.851 662 HB ILE 92 HB ILE 92 9.306 -17.349 -18.588 663 1HG1 ILE 92 2HG1 ILE 92 10.624 -18.151 -16.657 664 2HG1 ILE 92 1HG1 ILE 92 9.514 -17.341 -15.553 665 1HG2 ILE 92 1HG2 ILE 92 10.607 -15.522 -18.541 666 2HG2 ILE 92 2HG2 ILE 92 10.866 -15.779 -16.814 667 3HG2 ILE 92 3HG2 ILE 92 9.537 -14.759 -17.365 668 1HD1 ILE 92 1HD1 ILE 92 8.188 -19.114 -17.492 669 2HD1 ILE 92 2HD1 ILE 92 7.940 -18.963 -15.754 670 3HD1 ILE 92 3HD1 ILE 92 9.264 -19.949 -16.374 671 HA PRO 93 HA PRO 93 4.850 -18.170 -19.777 672 1HB PRO 93 2HB PRO 93 5.622 -17.994 -22.389 673 2HB PRO 93 1HB PRO 93 4.798 -16.675 -21.533 674 1HG PRO 93 2HG PRO 93 7.659 -16.966 -22.247 675 2HG PRO 93 1HG PRO 93 6.670 -15.506 -22.103 676 1HD PRO 93 2HD PRO 93 8.493 -16.421 -20.202 677 2HD PRO 93 1HD PRO 93 7.201 -15.236 -19.912 678 H ALA 94 H ALA 94 5.769 -20.144 -18.758 679 HA ALA 94 HA ALA 94 7.734 -21.664 -20.395 680 1HB ALA 94 1HB ALA 94 7.442 -23.205 -18.309 681 2HB ALA 94 2HB ALA 94 6.566 -21.838 -17.622 682 3HB ALA 94 3HB ALA 94 8.256 -21.655 -18.093 Start of MODEL 14 1 1H ASN 1 1H ASN 1 -5.228 17.167 4.953 2 2H ASN 1 2H ASN 1 -6.008 15.886 4.156 3 3H ASN 1 3H ASN 1 -4.379 16.234 3.820 4 HA ASN 1 HA ASN 1 -3.655 15.450 5.915 5 1HB ASN 1 2HB ASN 1 -6.056 16.576 6.667 6 2HB ASN 1 1HB ASN 1 -6.359 14.856 6.920 7 1HD2 ASN 1 1HD2 ASN 1 -3.631 17.162 7.510 8 2HD2 ASN 1 2HD2 ASN 1 -3.281 16.568 9.061 9 H ILE 2 H ILE 2 -2.960 13.402 5.402 10 HA ILE 2 HA ILE 2 -5.019 11.406 4.513 11 HB ILE 2 HB ILE 2 -3.295 12.321 2.839 12 1HG1 ILE 2 2HG1 ILE 2 -2.756 9.427 2.949 13 2HG1 ILE 2 1HG1 ILE 2 -4.464 9.834 3.121 14 1HG2 ILE 2 1HG2 ILE 2 -1.085 12.095 3.255 15 2HG2 ILE 2 2HG2 ILE 2 -1.280 10.415 3.757 16 3HG2 ILE 2 3HG2 ILE 2 -1.540 11.718 4.916 17 1HD1 ILE 2 1HD1 ILE 2 -2.675 10.888 0.914 18 2HD1 ILE 2 2HD1 ILE 2 -4.416 11.126 1.062 19 3HD1 ILE 2 3HD1 ILE 2 -3.771 9.519 0.737 20 H ASP 3 H ASP 3 -3.840 9.071 4.783 21 HA ASP 3 HA ASP 3 -2.831 8.984 7.590 22 1HB ASP 3 2HB ASP 3 -5.132 8.062 6.967 23 2HB ASP 3 1HB ASP 3 -4.274 6.817 6.058 24 H ARG 4 H ARG 4 -1.999 8.383 4.344 25 HA ARG 4 HA ARG 4 -0.130 7.372 3.369 26 1HB ARG 4 2HB ARG 4 0.782 7.265 6.249 27 2HB ARG 4 1HB ARG 4 1.804 7.264 4.816 28 1HG ARG 4 2HG ARG 4 1.691 9.506 4.607 29 2HG ARG 4 1HG ARG 4 -0.054 9.515 4.861 30 1HD ARG 4 2HD ARG 4 0.480 9.100 7.356 31 2HD ARG 4 1HD ARG 4 2.135 9.583 6.941 32 HE ARG 4 HE ARG 4 -0.115 11.355 6.126 33 1HH1 ARG 4 1HH1 ARG 4 0.534 11.593 9.045 34 2HH1 ARG 4 2HH1 ARG 4 1.742 12.835 9.048 35 1HH2 ARG 4 1HH2 ARG 4 2.391 12.580 5.652 36 2HH2 ARG 4 2HH2 ARG 4 2.791 13.395 7.126 37 HA PRO 5 HA PRO 5 -1.300 3.125 3.908 38 1HB PRO 5 2HB PRO 5 0.320 2.114 1.943 39 2HB PRO 5 1HB PRO 5 -1.216 2.941 1.608 40 1HG PRO 5 2HG PRO 5 1.566 4.002 1.469 41 2HG PRO 5 1HG PRO 5 0.200 4.277 0.379 42 1HD PRO 5 2HD PRO 5 0.978 6.083 2.238 43 2HD PRO 5 1HD PRO 5 -0.712 5.902 1.717 44 H LYS 6 H LYS 6 0.135 0.970 4.067 45 HA LYS 6 HA LYS 6 2.749 1.578 5.372 46 1HB LYS 6 2HB LYS 6 0.897 1.597 7.041 47 2HB LYS 6 1HB LYS 6 0.501 -0.058 6.582 48 1HG LYS 6 2HG LYS 6 2.579 -0.891 7.393 49 2HG LYS 6 1HG LYS 6 3.265 0.730 7.513 50 1HD LYS 6 2HD LYS 6 2.610 0.737 9.672 51 2HD LYS 6 1HD LYS 6 0.950 0.836 9.081 52 1HE LYS 6 2HE LYS 6 2.251 -1.867 9.169 53 2HE LYS 6 1HE LYS 6 1.668 -1.154 10.686 54 1HZ LYS 6 1HZ LYS 6 -0.179 -2.254 9.753 55 2HZ LYS 6 2HZ LYS 6 0.133 -1.644 8.199 56 3HZ LYS 6 3HZ LYS 6 -0.425 -0.609 9.426 57 H GLY 7 H GLY 7 0.578 -1.258 4.881 58 1HA GLY 7 2HA GLY 7 2.925 -2.642 3.633 59 2HA GLY 7 1HA GLY 7 1.816 -3.474 4.722 60 H LEU 8 H LEU 8 2.549 -3.519 1.648 61 HA LEU 8 HA LEU 8 -0.222 -3.352 0.571 62 1HB LEU 8 2HB LEU 8 0.819 -2.784 -1.404 63 2HB LEU 8 1HB LEU 8 2.183 -2.430 -0.351 64 HG LEU 8 HG LEU 8 2.536 -5.117 -0.773 65 1HD1 LEU 8 1HD1 LEU 8 0.660 -4.229 -2.738 66 2HD1 LEU 8 2HD1 LEU 8 1.423 -5.813 -2.605 67 3HD1 LEU 8 3HD1 LEU 8 2.188 -4.538 -3.552 68 1HD2 LEU 8 1HD2 LEU 8 3.963 -4.020 -2.842 69 2HD2 LEU 8 2HD2 LEU 8 4.472 -3.978 -1.153 70 3HD2 LEU 8 3HD2 LEU 8 3.630 -2.596 -1.855 71 H ALA 9 H ALA 9 -0.308 -5.246 -1.362 72 HA ALA 9 HA ALA 9 0.696 -7.831 -0.328 73 1HB ALA 9 1HB ALA 9 -1.987 -8.383 -0.614 74 2HB ALA 9 2HB ALA 9 -2.012 -6.756 0.067 75 3HB ALA 9 3HB ALA 9 -1.187 -8.059 0.924 76 H PHE 10 H PHE 10 -0.107 -9.653 -1.813 77 HA PHE 10 HA PHE 10 -0.720 -8.701 -4.579 78 1HB PHE 10 2HB PHE 10 1.539 -10.512 -3.668 79 2HB PHE 10 1HB PHE 10 1.103 -10.252 -5.356 80 HD1 PHE 10 HD1 PHE 10 1.099 -7.827 -6.238 81 HD2 PHE 10 HD2 PHE 10 2.964 -8.999 -2.549 82 HE1 PHE 10 HE1 PHE 10 2.467 -5.758 -6.272 83 HE2 PHE 10 HE2 PHE 10 4.332 -6.930 -2.585 84 HZ PHE 10 HZ PHE 10 4.085 -5.311 -4.446 85 H THR 11 H THR 11 -2.381 -9.931 -5.386 86 HA THR 11 HA THR 11 -3.173 -12.402 -3.975 87 HB THR 11 HB THR 11 -4.616 -11.319 -6.340 88 HG1 THR 11 HG1 THR 11 -4.782 -9.971 -3.880 89 1HG2 THR 11 1HG2 THR 11 -5.996 -12.802 -5.325 90 2HG2 THR 11 2HG2 THR 11 -6.346 -11.454 -4.244 91 3HG2 THR 11 3HG2 THR 11 -5.159 -12.671 -3.779 92 H ASP 12 H ASP 12 -2.313 -11.373 -7.296 93 HA ASP 12 HA ASP 12 -1.405 -14.134 -7.860 94 1HB ASP 12 2HB ASP 12 -3.661 -12.659 -9.227 95 2HB ASP 12 1HB ASP 12 -2.824 -14.006 -10.001 96 H VAL 13 H VAL 13 0.507 -13.978 -8.963 97 HA VAL 13 HA VAL 13 1.067 -11.438 -10.447 98 HB VAL 13 HB VAL 13 2.444 -11.930 -8.448 99 1HG1 VAL 13 1HG1 VAL 13 2.417 -14.573 -9.662 100 2HG1 VAL 13 2HG1 VAL 13 2.878 -14.106 -8.026 101 3HG1 VAL 13 3HG1 VAL 13 4.066 -14.046 -9.327 102 1HG2 VAL 13 1HG2 VAL 13 3.690 -12.051 -11.190 103 2HG2 VAL 13 2HG2 VAL 13 4.698 -12.065 -9.743 104 3HG2 VAL 13 3HG2 VAL 13 3.633 -10.695 -10.064 105 H ASP 14 H ASP 14 2.227 -11.662 -12.479 106 HA ASP 14 HA ASP 14 2.687 -14.317 -13.627 107 1HB ASP 14 2HB ASP 14 0.134 -13.598 -13.661 108 2HB ASP 14 1HB ASP 14 0.653 -12.641 -15.048 109 H VAL 15 H VAL 15 4.223 -14.133 -15.233 110 HA VAL 15 HA VAL 15 5.825 -11.965 -15.708 111 HB VAL 15 HB VAL 15 6.255 -14.191 -16.553 112 1HG1 VAL 15 1HG1 VAL 15 3.727 -13.687 -18.126 113 2HG1 VAL 15 2HG1 VAL 15 4.106 -15.041 -17.063 114 3HG1 VAL 15 3HG1 VAL 15 4.896 -14.906 -18.634 115 1HG2 VAL 15 1HG2 VAL 15 6.678 -11.872 -17.989 116 2HG2 VAL 15 2HG2 VAL 15 5.931 -12.933 -19.181 117 3HG2 VAL 15 3HG2 VAL 15 7.402 -13.437 -18.351 118 H ASP 16 H ASP 16 2.646 -12.542 -17.123 119 HA ASP 16 HA ASP 16 2.777 -9.812 -18.368 120 1HB ASP 16 2HB ASP 16 1.550 -10.761 -20.272 121 2HB ASP 16 1HB ASP 16 3.028 -11.687 -19.998 122 H SER 17 H SER 17 1.660 -10.666 -15.761 123 HA SER 17 HA SER 17 -0.888 -9.327 -15.883 124 1HB SER 17 2HB SER 17 -1.735 -11.897 -15.057 125 2HB SER 17 1HB SER 17 -2.184 -11.059 -16.539 126 HG SER 17 HG SER 17 -0.884 -13.260 -16.418 127 H ILE 18 H ILE 18 -1.005 -8.427 -13.856 128 HA ILE 18 HA ILE 18 -0.290 -10.100 -11.500 129 HB ILE 18 HB ILE 18 1.009 -7.542 -12.430 130 1HG1 ILE 18 2HG1 ILE 18 2.149 -10.134 -11.338 131 2HG1 ILE 18 1HG1 ILE 18 1.950 -9.786 -13.056 132 1HG2 ILE 18 1HG2 ILE 18 1.152 -8.735 -9.642 133 2HG2 ILE 18 2HG2 ILE 18 0.292 -7.254 -10.061 134 3HG2 ILE 18 3HG2 ILE 18 2.046 -7.329 -10.221 135 1HD1 ILE 18 1HD1 ILE 18 3.442 -7.864 -11.285 136 2HD1 ILE 18 2HD1 ILE 18 3.567 -8.084 -13.032 137 3HD1 ILE 18 3HD1 ILE 18 4.256 -9.285 -11.939 138 H LYS 19 H LYS 19 -2.066 -9.923 -10.217 139 HA LYS 19 HA LYS 19 -3.619 -7.376 -10.181 140 1HB LYS 19 2HB LYS 19 -4.895 -9.374 -10.630 141 2HB LYS 19 1HB LYS 19 -4.125 -10.232 -9.294 142 1HG LYS 19 2HG LYS 19 -5.201 -7.924 -8.126 143 2HG LYS 19 1HG LYS 19 -6.441 -8.479 -9.251 144 1HD LYS 19 2HD LYS 19 -5.473 -10.811 -8.019 145 2HD LYS 19 1HD LYS 19 -5.636 -9.631 -6.718 146 1HE LYS 19 2HE LYS 19 -7.966 -9.170 -8.039 147 2HE LYS 19 1HE LYS 19 -7.745 -10.900 -8.378 148 1HZ LYS 19 1HZ LYS 19 -7.715 -11.435 -6.164 149 2HZ LYS 19 2HZ LYS 19 -8.817 -10.142 -6.139 150 3HZ LYS 19 3HZ LYS 19 -7.202 -9.896 -5.674 151 H ILE 20 H ILE 20 -2.525 -6.048 -8.705 152 HA ILE 20 HA ILE 20 -1.651 -7.239 -6.116 153 HB ILE 20 HB ILE 20 -0.226 -5.310 -5.998 154 1HG1 ILE 20 2HG1 ILE 20 -0.758 -3.802 -8.297 155 2HG1 ILE 20 1HG1 ILE 20 -2.352 -4.152 -7.628 156 1HG2 ILE 20 1HG2 ILE 20 -0.174 -7.109 -8.115 157 2HG2 ILE 20 2HG2 ILE 20 1.134 -6.014 -7.668 158 3HG2 ILE 20 3HG2 ILE 20 -0.024 -5.543 -8.912 159 1HD1 ILE 20 1HD1 ILE 20 -0.035 -2.744 -6.299 160 2HD1 ILE 20 2HD1 ILE 20 -1.359 -3.432 -5.359 161 3HD1 ILE 20 3HD1 ILE 20 -1.682 -2.157 -6.535 162 H ALA 21 H ALA 21 -2.178 -6.173 -4.125 163 HA ALA 21 HA ALA 21 -4.452 -4.236 -4.198 164 1HB ALA 21 1HB ALA 21 -5.344 -6.520 -3.937 165 2HB ALA 21 2HB ALA 21 -5.544 -5.620 -2.434 166 3HB ALA 21 3HB ALA 21 -4.246 -6.805 -2.586 167 H TRP 22 H TRP 22 -4.084 -2.574 -2.740 168 HA TRP 22 HA TRP 22 -1.826 -2.936 -0.809 169 1HB TRP 22 2HB TRP 22 -1.829 -0.402 -0.934 170 2HB TRP 22 1HB TRP 22 -1.451 -1.222 -2.447 171 HD1 TRP 22 HD1 TRP 22 -4.287 0.666 -0.689 172 HE1 TRP 22 HE1 TRP 22 -5.962 1.478 -2.477 173 HE3 TRP 22 HE3 TRP 22 -2.347 -1.627 -4.813 174 HZ2 TRP 22 HZ2 TRP 22 -6.413 1.189 -5.286 175 HZ3 TRP 22 HZ3 TRP 22 -3.416 -1.341 -7.026 176 HH2 TRP 22 HH2 TRP 22 -5.446 0.062 -7.272 177 H GLU 23 H GLU 23 -2.061 -1.770 1.277 178 HA GLU 23 HA GLU 23 -4.438 -2.430 2.683 179 1HB GLU 23 2HB GLU 23 -1.869 -1.237 3.116 180 2HB GLU 23 1HB GLU 23 -3.085 -0.242 3.920 181 1HG GLU 23 2HG GLU 23 -3.956 -2.175 5.108 182 2HG GLU 23 1HG GLU 23 -2.875 -3.250 4.220 183 H SER 24 H SER 24 -6.195 -1.093 3.379 184 HA SER 24 HA SER 24 -6.924 1.056 1.521 185 1HB SER 24 2HB SER 24 -8.972 1.033 3.058 186 2HB SER 24 1HB SER 24 -8.620 -0.475 2.219 187 HG SER 24 HG SER 24 -7.953 -1.357 4.061 188 HA PRO 25 HA PRO 25 -5.615 4.389 4.052 189 1HB PRO 25 2HB PRO 25 -7.393 6.313 3.279 190 2HB PRO 25 1HB PRO 25 -6.060 5.762 2.246 191 1HG PRO 25 2HG PRO 25 -8.949 5.079 2.129 192 2HG PRO 25 1HG PRO 25 -7.780 5.279 0.816 193 1HD PRO 25 2HD PRO 25 -8.637 2.842 1.792 194 2HD PRO 25 1HD PRO 25 -7.113 3.102 0.915 195 H GLN 26 H GLN 26 -6.916 6.248 5.453 196 HA GLN 26 HA GLN 26 -9.038 4.782 6.985 197 1HB GLN 26 2HB GLN 26 -6.828 6.605 7.986 198 2HB GLN 26 1HB GLN 26 -8.021 5.786 8.995 199 1HG GLN 26 2HG GLN 26 -6.446 4.099 7.105 200 2HG GLN 26 1HG GLN 26 -5.606 4.722 8.526 201 1HE2 GLN 26 1HE2 GLN 26 -7.034 1.975 7.614 202 2HE2 GLN 26 2HE2 GLN 26 -7.788 1.497 9.057 203 H GLY 27 H GLY 27 -8.192 7.596 5.256 204 1HA GLY 27 2HA GLY 27 -10.513 9.054 6.458 205 2HA GLY 27 1HA GLY 27 -9.080 9.883 5.848 206 H GLN 28 H GLN 28 -10.684 7.133 4.294 207 HA GLN 28 HA GLN 28 -11.515 6.951 2.078 208 1HB GLN 28 2HB GLN 28 -13.282 8.130 3.443 209 2HB GLN 28 1HB GLN 28 -12.639 9.661 2.844 210 1HG GLN 28 2HG GLN 28 -13.229 9.158 0.598 211 2HG GLN 28 1HG GLN 28 -13.492 7.452 0.968 212 1HE2 GLN 28 1HE2 GLN 28 -15.230 7.271 2.957 213 2HE2 GLN 28 2HE2 GLN 28 -16.640 8.182 2.705 214 H VAL 29 H VAL 29 -9.342 7.241 1.078 215 HA VAL 29 HA VAL 29 -8.191 9.744 0.388 216 HB VAL 29 HB VAL 29 -7.293 7.325 0.293 217 1HG1 VAL 29 1HG1 VAL 29 -7.823 5.956 -1.474 218 2HG1 VAL 29 2HG1 VAL 29 -8.067 7.307 -2.582 219 3HG1 VAL 29 3HG1 VAL 29 -9.325 6.878 -1.423 220 1HG2 VAL 29 1HG2 VAL 29 -6.825 9.290 -1.960 221 2HG2 VAL 29 2HG2 VAL 29 -5.792 7.898 -1.640 222 3HG2 VAL 29 3HG2 VAL 29 -5.936 9.183 -0.442 223 H SER 30 H SER 30 -8.122 10.706 -1.832 224 HA SER 30 HA SER 30 -10.829 10.658 -3.089 225 1HB SER 30 2HB SER 30 -9.563 12.731 -2.160 226 2HB SER 30 1HB SER 30 -8.579 12.601 -3.615 227 HG SER 30 HG SER 30 -11.195 13.408 -3.286 228 H ARG 31 H ARG 31 -7.379 10.259 -3.809 229 HA ARG 31 HA ARG 31 -8.094 8.876 -6.341 230 1HB ARG 31 2HB ARG 31 -7.128 11.567 -6.089 231 2HB ARG 31 1HB ARG 31 -5.883 10.592 -6.866 232 1HG ARG 31 2HG ARG 31 -7.093 11.033 -8.754 233 2HG ARG 31 1HG ARG 31 -8.083 9.691 -8.179 234 1HD ARG 31 2HD ARG 31 -9.822 11.167 -8.216 235 2HD ARG 31 1HD ARG 31 -9.080 11.893 -6.775 236 HE ARG 31 HE ARG 31 -7.931 12.768 -9.340 237 1HH1 ARG 31 1HH2 ARG 31 -10.806 13.223 -7.616 238 2HH1 ARG 31 2HH2 ARG 31 -10.691 14.950 -7.556 239 1HH2 ARG 31 1HH1 ARG 31 -7.502 15.051 -8.915 240 2HH2 ARG 31 2HH1 ARG 31 -8.821 15.985 -8.291 241 H TYR 32 H TYR 32 -6.525 7.291 -6.917 242 HA TYR 32 HA TYR 32 -4.327 6.898 -4.914 243 1HB TYR 32 2HB TYR 32 -6.396 5.247 -5.915 244 2HB TYR 32 1HB TYR 32 -4.896 4.619 -6.598 245 HD1 TYR 32 HD1 TYR 32 -3.303 3.471 -5.247 246 HD2 TYR 32 HD2 TYR 32 -6.570 5.576 -3.415 247 HE1 TYR 32 HE1 TYR 32 -2.733 2.452 -3.057 248 HE2 TYR 32 HE2 TYR 32 -6.001 4.558 -1.227 249 HH TYR 32 HH TYR 32 -4.835 2.678 -0.322 250 H ARG 33 H ARG 33 -2.241 6.176 -5.757 251 HA ARG 33 HA ARG 33 -1.820 6.894 -8.643 252 1HB ARG 33 2HB ARG 33 -0.969 8.491 -6.891 253 2HB ARG 33 1HB ARG 33 0.080 7.202 -6.301 254 1HG ARG 33 2HG ARG 33 1.284 7.111 -8.373 255 2HG ARG 33 1HG ARG 33 0.102 8.146 -9.176 256 1HD ARG 33 2HD ARG 33 0.793 9.804 -7.160 257 2HD ARG 33 1HD ARG 33 2.311 8.897 -7.321 258 HE ARG 33 HE ARG 33 1.737 9.414 -9.927 259 1HH1 ARG 33 1HH2 ARG 33 3.888 10.999 -8.718 260 2HH1 ARG 33 2HH2 ARG 33 3.304 12.625 -8.841 261 1HH2 ARG 33 1HH1 ARG 33 0.012 11.681 -9.391 262 2HH2 ARG 33 2HH1 ARG 33 1.108 13.011 -9.220 263 H VAL 34 H VAL 34 -1.962 4.645 -9.324 264 HA VAL 34 HA VAL 34 -0.104 2.681 -8.117 265 HB VAL 34 HB VAL 34 -2.017 2.538 -10.471 266 1HG1 VAL 34 1HG1 VAL 34 -0.243 0.816 -10.510 267 2HG1 VAL 34 2HG1 VAL 34 -1.820 0.103 -10.172 268 3HG1 VAL 34 3HG1 VAL 34 -0.666 0.350 -8.863 269 1HG2 VAL 34 1HG2 VAL 34 -2.357 1.617 -7.597 270 2HG2 VAL 34 2HG2 VAL 34 -3.543 1.442 -8.891 271 3HG2 VAL 34 3HG2 VAL 34 -3.119 3.047 -8.295 272 H THR 35 H THR 35 1.999 3.380 -8.721 273 HA THR 35 HA THR 35 2.490 3.755 -11.648 274 HB THR 35 HB THR 35 4.714 4.668 -10.501 275 HG1 THR 35 HG1 THR 35 4.349 5.370 -8.449 276 1HG2 THR 35 1HG2 THR 35 3.514 6.237 -11.709 277 2HG2 THR 35 2HG2 THR 35 3.288 6.855 -10.073 278 3HG2 THR 35 3HG2 THR 35 2.014 5.908 -10.843 279 H TYR 36 H TYR 36 4.334 2.709 -12.587 280 HA TYR 36 HA TYR 36 5.670 0.592 -10.993 281 1HB TYR 36 2HB TYR 36 5.182 -0.785 -13.288 282 2HB TYR 36 1HB TYR 36 4.142 -0.883 -11.871 283 HD1 TYR 36 HD1 TYR 36 2.203 0.834 -11.708 284 HD2 TYR 36 HD2 TYR 36 4.326 -0.028 -15.339 285 HE1 TYR 36 HE1 TYR 36 0.312 1.742 -13.031 286 HE2 TYR 36 HE2 TYR 36 2.435 0.882 -16.664 287 HH TYR 36 HH TYR 36 0.134 2.819 -15.480 288 H SER 37 H SER 37 7.820 0.614 -11.424 289 HA SER 37 HA SER 37 8.697 1.998 -13.935 290 1HB SER 37 2HB SER 37 10.808 2.315 -12.535 291 2HB SER 37 1HB SER 37 9.374 3.167 -11.967 292 HG SER 37 HG SER 37 9.202 1.802 -10.321 293 H SER 38 H SER 38 10.318 1.048 -15.217 294 HA SER 38 HA SER 38 11.389 -1.617 -14.436 295 1HB SER 38 2HB SER 38 9.121 -1.249 -16.008 296 2HB SER 38 1HB SER 38 10.406 -1.507 -17.185 297 HG SER 38 HG SER 38 10.399 -3.528 -16.624 298 HA PRO 39 HA PRO 39 14.777 -0.139 -16.844 299 1HB PRO 39 2HB PRO 39 15.929 -2.469 -17.672 300 2HB PRO 39 1HB PRO 39 15.977 -1.917 -15.986 301 1HG PRO 39 2HG PRO 39 14.387 -4.076 -17.206 302 2HG PRO 39 1HG PRO 39 14.911 -3.865 -15.530 303 1HD PRO 39 2HD PRO 39 12.332 -3.329 -16.595 304 2HD PRO 39 1HD PRO 39 12.920 -2.953 -14.961 305 H GLU 40 H GLU 40 12.238 -0.320 -18.343 306 HA GLU 40 HA GLU 40 13.355 -0.720 -21.069 307 1HB GLU 40 2HB GLU 40 10.865 -1.900 -19.831 308 2HB GLU 40 1HB GLU 40 11.073 -1.792 -21.580 309 1HG GLU 40 2HG GLU 40 13.490 -2.857 -20.627 310 2HG GLU 40 1HG GLU 40 12.230 -3.692 -19.716 311 H ASP 41 H ASP 41 9.995 -0.134 -20.148 312 HA ASP 41 HA ASP 41 9.921 2.307 -21.773 313 1HB ASP 41 2HB ASP 41 8.098 0.418 -20.448 314 2HB ASP 41 1HB ASP 41 7.535 2.088 -20.384 315 H GLY 42 H GLY 42 10.791 1.584 -18.590 316 1HA GLY 42 2HA GLY 42 11.605 3.208 -17.031 317 2HA GLY 42 1HA GLY 42 10.661 4.442 -17.863 318 H ILE 43 H ILE 43 9.043 5.189 -16.578 319 HA ILE 43 HA ILE 43 7.628 3.189 -14.858 320 HB ILE 43 HB ILE 43 9.250 4.897 -13.793 321 1HG1 ILE 43 2HG1 ILE 43 6.387 5.020 -12.809 322 2HG1 ILE 43 1HG1 ILE 43 7.377 3.568 -12.658 323 1HG2 ILE 43 1HG2 ILE 43 8.625 7.145 -13.672 324 2HG2 ILE 43 2HG2 ILE 43 6.930 6.795 -14.015 325 3HG2 ILE 43 3HG2 ILE 43 8.123 6.736 -15.313 326 1HD1 ILE 43 1HD1 ILE 43 8.391 4.416 -10.841 327 2HD1 ILE 43 2HD1 ILE 43 7.342 5.830 -10.940 328 3HD1 ILE 43 3HD1 ILE 43 8.903 5.830 -11.762 329 H HIS 44 H HIS 44 5.374 3.507 -14.593 330 HA HIS 44 HA HIS 44 4.128 5.519 -16.430 331 1HB HIS 44 2HB HIS 44 3.976 2.610 -16.298 332 2HB HIS 44 1HB HIS 44 2.380 3.352 -16.178 333 HD1 HIS 44 HD1 HIS 44 1.612 2.835 -18.571 334 HD2 HIS 44 HD2 HIS 44 5.220 4.919 -18.429 335 HE1 HIS 44 HE1 HIS 44 2.112 3.570 -20.946 336 H GLU 45 H GLU 45 1.973 6.227 -15.691 337 HA GLU 45 HA GLU 45 1.667 5.962 -12.721 338 1HB GLU 45 2HB GLU 45 1.400 8.183 -14.713 339 2HB GLU 45 1HB GLU 45 0.412 8.243 -13.253 340 1HG GLU 45 2HG GLU 45 2.246 8.466 -11.853 341 2HG GLU 45 1HG GLU 45 3.329 7.632 -12.969 342 H LEU 46 H LEU 46 0.143 4.203 -12.753 343 HA LEU 46 HA LEU 46 -2.319 4.490 -14.383 344 1HB LEU 46 2HB LEU 46 -1.121 2.312 -14.084 345 2HB LEU 46 1HB LEU 46 -1.447 2.398 -12.352 346 HG LEU 46 HG LEU 46 -3.917 2.581 -12.969 347 1HD1 LEU 46 1HD1 LEU 46 -4.631 2.325 -15.123 348 2HD1 LEU 46 2HD1 LEU 46 -3.299 1.247 -15.543 349 3HD1 LEU 46 3HD1 LEU 46 -3.037 2.991 -15.483 350 1HD2 LEU 46 1HD2 LEU 46 -3.716 0.456 -12.223 351 2HD2 LEU 46 2HD2 LEU 46 -2.146 0.262 -13.000 352 3HD2 LEU 46 3HD2 LEU 46 -3.624 -0.018 -13.920 353 H PHE 47 H PHE 47 -3.855 5.873 -13.520 354 HA PHE 47 HA PHE 47 -4.227 5.834 -10.537 355 1HB PHE 47 2HB PHE 47 -5.002 8.261 -11.005 356 2HB PHE 47 1HB PHE 47 -3.276 7.918 -11.098 357 HD1 PHE 47 HD1 PHE 47 -2.157 7.674 -13.285 358 HD2 PHE 47 HD2 PHE 47 -6.286 8.802 -12.985 359 HE1 PHE 47 HE1 PHE 47 -2.118 8.428 -15.647 360 HE2 PHE 47 HE2 PHE 47 -6.251 9.560 -15.348 361 HZ PHE 47 HZ PHE 47 -4.166 9.373 -16.679 362 HA PRO 48 HA PRO 48 -8.286 4.866 -12.449 363 1HB PRO 48 2HB PRO 48 -8.667 2.439 -11.261 364 2HB PRO 48 1HB PRO 48 -7.812 2.629 -12.805 365 1HG PRO 48 2HG PRO 48 -6.733 2.061 -10.119 366 2HG PRO 48 1HG PRO 48 -6.071 1.666 -11.711 367 1HD PRO 48 2HD PRO 48 -5.257 3.782 -10.020 368 2HD PRO 48 1HD PRO 48 -4.775 3.521 -11.703 369 H ALA 49 H ALA 49 -8.601 6.698 -10.845 370 HA ALA 49 HA ALA 49 -8.889 6.758 -8.153 371 1HB ALA 49 1HB ALA 49 -10.108 7.968 -10.438 372 2HB ALA 49 2HB ALA 49 -9.923 8.641 -8.817 373 3HB ALA 49 3HB ALA 49 -11.357 7.701 -9.223 374 HA PRO 50 HA PRO 50 -11.460 3.103 -7.531 375 1HB PRO 50 2HB PRO 50 -10.961 2.919 -4.850 376 2HB PRO 50 1HB PRO 50 -9.844 2.309 -6.088 377 1HG PRO 50 2HG PRO 50 -9.735 4.844 -4.523 378 2HG PRO 50 1HG PRO 50 -8.421 3.758 -5.006 379 1HD PRO 50 2HD PRO 50 -8.975 6.106 -6.284 380 2HD PRO 50 1HD PRO 50 -8.225 4.707 -7.084 381 H ASP 51 H ASP 51 -12.899 2.819 -5.192 382 HA ASP 51 HA ASP 51 -14.410 5.378 -4.846 383 1HB ASP 51 2HB ASP 51 -15.625 4.218 -6.527 384 2HB ASP 51 1HB ASP 51 -15.382 2.661 -5.738 385 H GLY 52 H GLY 52 -13.864 2.041 -3.694 386 1HA GLY 52 2HA GLY 52 -13.543 2.758 -0.973 387 2HA GLY 52 1HA GLY 52 -15.239 2.331 -1.201 388 H GLU 53 H GLU 53 -15.292 0.223 -2.808 389 HA GLU 53 HA GLU 53 -13.998 -1.885 -1.226 390 1HB GLU 53 2HB GLU 53 -16.414 -1.733 -2.157 391 2HB GLU 53 1HB GLU 53 -15.694 -2.202 -3.698 392 1HG GLU 53 2HG GLU 53 -14.823 -3.839 -1.408 393 2HG GLU 53 1HG GLU 53 -16.542 -3.972 -1.786 394 H GLU 54 H GLU 54 -13.284 -0.110 -4.056 395 HA GLU 54 HA GLU 54 -11.682 -2.301 -5.262 396 1HB GLU 54 2HB GLU 54 -12.974 0.200 -6.085 397 2HB GLU 54 1HB GLU 54 -11.364 -0.010 -6.776 398 1HG GLU 54 2HG GLU 54 -11.961 -1.917 -7.944 399 2HG GLU 54 1HG GLU 54 -13.227 -2.349 -6.796 400 H ASP 55 H ASP 55 -10.042 -2.331 -3.528 401 HA ASP 55 HA ASP 55 -8.277 0.092 -3.482 402 1HB ASP 55 2HB ASP 55 -9.187 -1.950 -1.541 403 2HB ASP 55 1HB ASP 55 -7.481 -1.519 -1.416 404 H THR 56 H THR 56 -8.302 -2.095 -5.567 405 HA THR 56 HA THR 56 -5.455 -2.978 -5.217 406 HB THR 56 HB THR 56 -6.129 -5.150 -6.151 407 HG1 THR 56 HG1 THR 56 -7.978 -5.351 -7.104 408 1HG2 THR 56 1HG2 THR 56 -7.135 -5.983 -4.218 409 2HG2 THR 56 2HG2 THR 56 -8.168 -4.565 -4.028 410 3HG2 THR 56 3HG2 THR 56 -6.450 -4.463 -3.643 411 H ALA 57 H ALA 57 -4.612 -3.790 -7.467 412 HA ALA 57 HA ALA 57 -5.736 -2.080 -9.660 413 1HB ALA 57 1HB ALA 57 -3.830 -0.918 -8.887 414 2HB ALA 57 2HB ALA 57 -3.214 -1.849 -10.252 415 3HB ALA 57 3HB ALA 57 -2.932 -2.409 -8.602 416 H GLU 58 H GLU 58 -5.619 -3.011 -11.742 417 HA GLU 58 HA GLU 58 -4.779 -5.892 -11.822 418 1HB GLU 58 2HB GLU 58 -6.964 -4.246 -13.064 419 2HB GLU 58 1HB GLU 58 -6.415 -5.706 -13.889 420 1HG GLU 58 2HG GLU 58 -6.860 -7.043 -11.881 421 2HG GLU 58 1HG GLU 58 -7.349 -5.591 -11.006 422 H LEU 59 H LEU 59 -2.555 -5.270 -12.351 423 HA LEU 59 HA LEU 59 -2.028 -3.727 -14.792 424 1HB LEU 59 2HB LEU 59 -0.521 -5.049 -12.579 425 2HB LEU 59 1HB LEU 59 0.342 -4.771 -14.093 426 HG LEU 59 HG LEU 59 -1.078 -2.686 -12.415 427 1HD1 LEU 59 1HD1 LEU 59 1.087 -3.315 -11.509 428 2HD1 LEU 59 2HD1 LEU 59 1.243 -1.740 -12.288 429 3HD1 LEU 59 3HD1 LEU 59 1.833 -3.188 -13.102 430 1HD2 LEU 59 1HD2 LEU 59 -1.417 -1.822 -14.536 431 2HD2 LEU 59 2HD2 LEU 59 -0.042 -2.691 -15.222 432 3HD2 LEU 59 3HD2 LEU 59 0.225 -1.241 -14.254 433 H GLN 60 H GLN 60 -3.323 -5.268 -16.166 434 HA GLN 60 HA GLN 60 -1.902 -7.838 -16.698 435 1HB GLN 60 2HB GLN 60 -4.595 -6.928 -17.724 436 2HB GLN 60 1HB GLN 60 -4.005 -8.577 -17.537 437 1HG GLN 60 2HG GLN 60 -4.145 -8.457 -15.145 438 2HG GLN 60 1HG GLN 60 -4.388 -6.711 -15.180 439 1HE2 GLN 60 1HE2 GLN 60 -6.503 -5.902 -15.795 440 2HE2 GLN 60 2HE2 GLN 60 -7.856 -6.924 -15.883 441 H GLY 61 H GLY 61 -0.511 -7.768 -18.414 442 1HA GLY 61 2HA GLY 61 -0.545 -7.514 -20.950 443 2HA GLY 61 1HA GLY 61 -1.139 -5.880 -20.648 444 H LEU 62 H LEU 62 1.344 -7.487 -18.713 445 HA LEU 62 HA LEU 62 3.147 -5.222 -19.060 446 1HB LEU 62 2HB LEU 62 3.634 -7.956 -17.845 447 2HB LEU 62 1HB LEU 62 4.500 -6.463 -17.480 448 HG LEU 62 HG LEU 62 1.581 -7.043 -16.913 449 1HD1 LEU 62 1HD1 LEU 62 3.901 -6.443 -15.053 450 2HD1 LEU 62 2HD1 LEU 62 3.256 -8.055 -15.360 451 3HD1 LEU 62 3HD1 LEU 62 2.251 -6.838 -14.575 452 1HD2 LEU 62 1HD2 LEU 62 1.990 -4.717 -15.663 453 2HD2 LEU 62 2HD2 LEU 62 1.500 -4.761 -17.356 454 3HD2 LEU 62 3HD2 LEU 62 3.195 -4.514 -16.936 455 H ARG 63 H ARG 63 5.641 -6.447 -19.254 456 HA ARG 63 HA ARG 63 5.575 -7.773 -21.917 457 1HB ARG 63 2HB ARG 63 6.582 -5.207 -21.116 458 2HB ARG 63 1HB ARG 63 7.913 -6.209 -21.700 459 1HG ARG 63 2HG ARG 63 7.062 -5.165 -23.646 460 2HG ARG 63 1HG ARG 63 6.371 -6.787 -23.678 461 1HD ARG 63 2HD ARG 63 4.703 -4.920 -24.149 462 2HD ARG 63 1HD ARG 63 4.259 -5.969 -22.787 463 HE ARG 63 HE ARG 63 4.501 -4.075 -21.409 464 1HH1 ARG 63 1HH2 ARG 63 5.458 -3.118 -24.458 465 2HH1 ARG 63 2HH2 ARG 63 6.569 -1.898 -23.931 466 1HH2 ARG 63 1HH1 ARG 63 6.397 -2.810 -20.590 467 2HH2 ARG 63 2HH1 ARG 63 7.100 -1.724 -21.740 468 HA PRO 64 HA PRO 64 9.410 -9.396 -19.788 469 1HB PRO 64 2HB PRO 64 10.469 -8.164 -17.608 470 2HB PRO 64 1HB PRO 64 10.803 -7.636 -19.268 471 1HG PRO 64 2HG PRO 64 9.143 -6.366 -17.212 472 2HG PRO 64 1HG PRO 64 9.877 -5.666 -18.660 473 1HD PRO 64 2HD PRO 64 7.154 -6.483 -18.284 474 2HD PRO 64 1HD PRO 64 7.896 -5.789 -19.734 475 H GLY 65 H GLY 65 10.075 -10.629 -17.742 476 1HA GLY 65 2HA GLY 65 7.779 -10.879 -15.883 477 2HA GLY 65 1HA GLY 65 8.456 -12.319 -16.639 478 H SER 66 H SER 66 9.875 -9.422 -15.085 479 HA SER 66 HA SER 66 11.429 -11.267 -13.302 480 1HB SER 66 2HB SER 66 12.565 -10.182 -15.383 481 2HB SER 66 1HB SER 66 12.508 -8.695 -14.441 482 HG SER 66 HG SER 66 14.384 -10.361 -14.297 483 H GLU 67 H GLU 67 12.753 -9.333 -11.843 484 HA GLU 67 HA GLU 67 10.892 -8.533 -9.866 485 1HB GLU 67 2HB GLU 67 13.303 -8.771 -9.526 486 2HB GLU 67 1HB GLU 67 13.613 -7.432 -10.632 487 1HG GLU 67 2HG GLU 67 12.054 -6.077 -9.023 488 2HG GLU 67 1HG GLU 67 12.426 -7.359 -7.869 489 H TYR 68 H TYR 68 9.127 -7.444 -11.016 490 HA TYR 68 HA TYR 68 9.662 -4.929 -12.443 491 1HB TYR 68 2HB TYR 68 7.736 -6.838 -12.545 492 2HB TYR 68 1HB TYR 68 6.943 -5.667 -11.491 493 HD1 TYR 68 HD1 TYR 68 7.114 -3.149 -12.276 494 HD2 TYR 68 HD2 TYR 68 7.584 -6.551 -14.854 495 HE1 TYR 68 HE1 TYR 68 6.593 -1.732 -14.242 496 HE2 TYR 68 HE2 TYR 68 7.061 -5.135 -16.819 497 HH TYR 68 HH TYR 68 6.906 -2.960 -17.524 498 H THR 69 H THR 69 9.500 -2.858 -11.521 499 HA THR 69 HA THR 69 9.090 -2.768 -8.569 500 HB THR 69 HB THR 69 9.968 -0.535 -10.395 501 HG1 THR 69 HG1 THR 69 11.640 -1.689 -10.858 502 1HG2 THR 69 1HG2 THR 69 9.465 -0.498 -7.763 503 2HG2 THR 69 2HG2 THR 69 10.763 0.456 -8.483 504 3HG2 THR 69 3HG2 THR 69 11.127 -1.087 -7.712 505 H VAL 70 H VAL 70 7.133 -2.103 -7.787 506 HA VAL 70 HA VAL 70 5.486 -0.278 -9.487 507 HB VAL 70 HB VAL 70 4.406 -2.370 -7.614 508 1HG1 VAL 70 1HG1 VAL 70 3.344 -0.649 -9.851 509 2HG1 VAL 70 2HG1 VAL 70 2.712 -0.847 -8.216 510 3HG1 VAL 70 3HG1 VAL 70 2.519 -2.141 -9.398 511 1HG2 VAL 70 1HG2 VAL 70 4.079 -3.721 -9.756 512 2HG2 VAL 70 2HG2 VAL 70 5.742 -3.620 -9.174 513 3HG2 VAL 70 3HG2 VAL 70 5.217 -2.615 -10.526 514 H SER 71 H SER 71 4.615 1.493 -8.441 515 HA SER 71 HA SER 71 5.182 1.695 -5.498 516 1HB SER 71 2HB SER 71 5.237 3.660 -7.783 517 2HB SER 71 1HB SER 71 5.205 4.198 -6.107 518 HG SER 71 HG SER 71 7.339 3.912 -7.063 519 H VAL 72 H VAL 72 3.300 1.577 -4.345 520 HA VAL 72 HA VAL 72 0.768 2.554 -5.598 521 HB VAL 72 HB VAL 72 1.493 0.714 -3.312 522 1HG1 VAL 72 1HG1 VAL 72 -0.857 0.527 -2.764 523 2HG1 VAL 72 2HG1 VAL 72 -1.298 1.615 -4.078 524 3HG1 VAL 72 3HG1 VAL 72 -0.417 2.230 -2.681 525 1HG2 VAL 72 1HG2 VAL 72 1.176 0.204 -5.959 526 2HG2 VAL 72 2HG2 VAL 72 -0.488 0.014 -5.408 527 3HG2 VAL 72 3HG2 VAL 72 0.793 -0.968 -4.698 528 H VAL 73 H VAL 73 0.109 4.586 -4.964 529 HA VAL 73 HA VAL 73 0.760 5.456 -2.179 530 HB VAL 73 HB VAL 73 1.061 7.172 -4.652 531 1HG1 VAL 73 1HG1 VAL 73 2.102 8.727 -3.215 532 2HG1 VAL 73 2HG1 VAL 73 2.363 7.521 -1.955 533 3HG1 VAL 73 3HG1 VAL 73 0.738 8.132 -2.267 534 1HG2 VAL 73 1HG2 VAL 73 2.993 5.327 -3.262 535 2HG2 VAL 73 2HG2 VAL 73 3.580 6.787 -4.060 536 3HG2 VAL 73 3HG2 VAL 73 2.730 5.555 -4.991 537 H ALA 74 H ALA 74 -0.810 6.781 -1.241 538 HA ALA 74 HA ALA 74 -3.397 6.982 -2.688 539 1HB ALA 74 1HB ALA 74 -2.889 7.848 0.144 540 2HB ALA 74 2HB ALA 74 -2.859 6.127 -0.240 541 3HB ALA 74 3HB ALA 74 -4.318 7.072 -0.538 542 H LEU 75 H LEU 75 -4.580 9.120 -2.447 543 HA LEU 75 HA LEU 75 -2.674 11.427 -2.373 544 1HB LEU 75 2HB LEU 75 -4.962 10.888 -4.285 545 2HB LEU 75 1HB LEU 75 -3.931 12.319 -4.305 546 HG LEU 75 HG LEU 75 -2.848 9.507 -4.537 547 1HD1 LEU 75 1HD1 LEU 75 -2.580 10.149 -6.987 548 2HD1 LEU 75 2HD1 LEU 75 -3.691 11.481 -6.672 549 3HD1 LEU 75 3HD1 LEU 75 -4.232 9.815 -6.469 550 1HD2 LEU 75 1HD2 LEU 75 -1.743 12.303 -4.817 551 2HD2 LEU 75 2HD2 LEU 75 -0.957 10.941 -5.615 552 3HD2 LEU 75 3HD2 LEU 75 -1.116 10.962 -3.858 553 H HIS 76 H HIS 76 -4.245 13.522 -2.536 554 HA HIS 76 HA HIS 76 -6.779 13.427 -1.174 555 1HB HIS 76 2HB HIS 76 -4.633 12.876 0.448 556 2HB HIS 76 1HB HIS 76 -4.783 14.621 0.649 557 HD1 HIS 76 HD1 HIS 76 -6.360 11.420 1.581 558 HD2 HIS 76 HD2 HIS 76 -7.421 15.450 1.606 559 HE1 HIS 76 HE1 HIS 76 -8.405 11.614 3.065 560 H ASP 77 H ASP 77 -7.073 14.942 -2.983 561 HA ASP 77 HA ASP 77 -7.370 17.178 -3.729 562 1HB ASP 77 2HB ASP 77 -7.106 17.339 -1.014 563 2HB ASP 77 1HB ASP 77 -5.730 18.310 -1.541 564 H ASP 78 H ASP 78 -4.150 16.842 -2.179 565 HA ASP 78 HA ASP 78 -2.688 16.886 -4.655 566 1HB ASP 78 2HB ASP 78 -1.865 19.237 -4.466 567 2HB ASP 78 1HB ASP 78 -3.609 19.162 -4.727 568 H MET 79 H MET 79 -2.074 15.151 -2.835 569 HA MET 79 HA MET 79 0.334 16.230 -1.433 570 1HB MET 79 2HB MET 79 -2.170 15.227 -0.306 571 2HB MET 79 1HB MET 79 -0.761 14.365 0.314 572 1HG MET 79 2HG MET 79 0.237 16.353 1.136 573 2HG MET 79 1HG MET 79 -0.832 17.381 0.181 574 1HE MET 79 1HE MET 79 -2.578 18.210 0.549 575 2HE MET 79 2HE MET 79 -3.205 18.556 2.157 576 3HE MET 79 3HE MET 79 -3.981 17.324 1.166 577 H GLU 80 H GLU 80 1.920 14.573 -0.953 578 HA GLU 80 HA GLU 80 1.509 11.969 -2.388 579 1HB GLU 80 2HB GLU 80 3.926 13.808 -2.267 580 2HB GLU 80 1HB GLU 80 3.939 12.202 -2.999 581 1HG GLU 80 2HG GLU 80 3.021 12.993 -4.895 582 2HG GLU 80 1HG GLU 80 1.696 13.732 -3.994 583 H SER 81 H SER 81 0.953 11.109 -0.227 584 HA SER 81 HA SER 81 2.726 11.327 2.038 585 1HB SER 81 2HB SER 81 0.252 10.053 1.258 586 2HB SER 81 1HB SER 81 1.236 8.943 2.207 587 HG SER 81 HG SER 81 1.517 11.017 3.552 588 H GLN 82 H GLN 82 3.498 9.046 3.020 589 HA GLN 82 HA GLN 82 5.789 8.176 1.719 590 1HB GLN 82 2HB GLN 82 3.863 6.999 3.685 591 2HB GLN 82 1HB GLN 82 5.151 5.969 3.060 592 1HG GLN 82 2HG GLN 82 6.025 6.995 5.037 593 2HG GLN 82 1HG GLN 82 6.770 7.837 3.678 594 1HE2 GLN 82 1HE2 GLN 82 4.364 8.148 6.259 595 2HE2 GLN 82 2HE2 GLN 82 4.158 9.828 6.103 596 HA PRO 83 HA PRO 83 3.847 6.145 -1.758 597 1HB PRO 83 2HB PRO 83 6.176 5.580 -3.076 598 2HB PRO 83 1HB PRO 83 5.406 7.181 -3.108 599 1HG PRO 83 2HG PRO 83 7.723 6.230 -1.495 600 2HG PRO 83 1HG PRO 83 7.454 7.798 -2.271 601 1HD PRO 83 2HD PRO 83 7.096 7.362 0.404 602 2HD PRO 83 1HD PRO 83 6.219 8.605 -0.517 603 H LEU 84 H LEU 84 3.185 4.044 -1.580 604 HA LEU 84 HA LEU 84 4.700 2.094 -0.013 605 1HB LEU 84 2HB LEU 84 2.158 2.431 -0.220 606 2HB LEU 84 1HB LEU 84 2.295 1.641 -1.792 607 HG LEU 84 HG LEU 84 3.361 -0.316 -0.680 608 1HD1 LEU 84 1HD1 LEU 84 4.205 -0.009 1.387 609 2HD1 LEU 84 2HD1 LEU 84 2.550 0.062 1.991 610 3HD1 LEU 84 3HD1 LEU 84 3.388 1.547 1.540 611 1HD2 LEU 84 1HD2 LEU 84 0.639 0.575 0.315 612 2HD2 LEU 84 2HD2 LEU 84 1.262 -1.060 0.525 613 3HD2 LEU 84 3HD2 LEU 84 0.983 -0.426 -1.095 614 H ILE 85 H ILE 85 6.342 0.893 -0.894 615 HA ILE 85 HA ILE 85 6.600 0.713 -3.839 616 HB ILE 85 HB ILE 85 8.325 0.016 -1.454 617 1HG1 ILE 85 2HG1 ILE 85 8.073 2.413 -2.039 618 2HG1 ILE 85 1HG1 ILE 85 9.717 1.847 -2.338 619 1HG2 ILE 85 1HG2 ILE 85 9.389 -1.455 -2.801 620 2HG2 ILE 85 2HG2 ILE 85 9.934 -0.052 -3.722 621 3HG2 ILE 85 3HG2 ILE 85 8.482 -0.923 -4.217 622 1HD1 ILE 85 1HD1 ILE 85 7.662 2.756 -4.254 623 2HD1 ILE 85 2HD1 ILE 85 8.527 1.297 -4.738 624 3HD1 ILE 85 3HD1 ILE 85 9.420 2.779 -4.394 625 H GLY 86 H GLY 86 6.648 -1.290 -4.958 626 1HA GLY 86 2HA GLY 86 6.062 -3.754 -3.414 627 2HA GLY 86 1HA GLY 86 4.916 -3.275 -4.667 628 H THR 87 H THR 87 8.239 -4.324 -4.092 629 HA THR 87 HA THR 87 8.672 -4.669 -7.017 630 HB THR 87 HB THR 87 10.591 -5.258 -4.763 631 HG1 THR 87 HG1 THR 87 10.039 -3.217 -4.316 632 1HG2 THR 87 1HG2 THR 87 12.263 -4.701 -6.442 633 2HG2 THR 87 2HG2 THR 87 11.003 -4.224 -7.580 634 3HG2 THR 87 3HG2 THR 87 11.165 -5.913 -7.102 635 H GLN 88 H GLN 88 7.846 -6.586 -7.770 636 HA GLN 88 HA GLN 88 8.506 -9.075 -6.242 637 1HB GLN 88 2HB GLN 88 6.024 -7.909 -6.362 638 2HB GLN 88 1HB GLN 88 5.955 -9.022 -7.728 639 1HG GLN 88 2HG GLN 88 6.819 -9.821 -4.935 640 2HG GLN 88 1HG GLN 88 5.187 -10.047 -5.567 641 1HE2 GLN 88 1HE2 GLN 88 5.635 -10.932 -8.161 642 2HE2 GLN 88 2HE2 GLN 88 6.510 -12.386 -8.144 643 H SER 89 H SER 89 9.336 -10.679 -7.566 644 HA SER 89 HA SER 89 9.953 -10.095 -10.334 645 1HB SER 89 2HB SER 89 10.696 -12.565 -10.176 646 2HB SER 89 1HB SER 89 11.475 -11.423 -9.083 647 HG SER 89 HG SER 89 9.491 -13.355 -8.569 648 H THR 90 H THR 90 8.481 -10.264 -11.968 649 HA THR 90 HA THR 90 5.894 -11.372 -11.810 650 HB THR 90 HB THR 90 7.143 -11.594 -14.443 651 HG1 THR 90 HG1 THR 90 7.927 -9.531 -14.557 652 1HG2 THR 90 1HG2 THR 90 5.280 -9.417 -13.545 653 2HG2 THR 90 2HG2 THR 90 4.696 -11.075 -13.660 654 3HG2 THR 90 3HG2 THR 90 5.333 -10.266 -15.091 655 H ALA 91 H ALA 91 5.083 -13.390 -12.877 656 HA ALA 91 HA ALA 91 6.848 -15.682 -12.255 657 1HB ALA 91 1HB ALA 91 4.062 -15.827 -13.371 658 2HB ALA 91 2HB ALA 91 4.314 -15.271 -11.716 659 3HB ALA 91 3HB ALA 91 4.838 -16.884 -12.193 660 H ILE 92 H ILE 92 8.347 -15.631 -13.947 661 HA ILE 92 HA ILE 92 8.114 -15.284 -16.650 662 HB ILE 92 HB ILE 92 9.870 -17.141 -16.748 663 1HG1 ILE 92 2HG1 ILE 92 10.606 -17.973 -14.489 664 2HG1 ILE 92 1HG1 ILE 92 9.157 -17.259 -13.791 665 1HG2 ILE 92 1HG2 ILE 92 11.282 -15.861 -14.908 666 2HG2 ILE 92 2HG2 ILE 92 9.884 -14.785 -14.895 667 3HG2 ILE 92 3HG2 ILE 92 10.791 -15.038 -16.387 668 1HD1 ILE 92 1HD1 ILE 92 7.830 -18.924 -14.553 669 2HD1 ILE 92 2HD1 ILE 92 9.332 -19.822 -14.746 670 3HD1 ILE 92 3HD1 ILE 92 8.636 -18.970 -16.120 671 HA PRO 93 HA PRO 93 5.316 -18.349 -18.113 672 1HB PRO 93 2HB PRO 93 6.086 -18.479 -20.727 673 2HB PRO 93 1HB PRO 93 5.204 -17.097 -20.047 674 1HG PRO 93 2HG PRO 93 8.064 -17.346 -20.754 675 2HG PRO 93 1HG PRO 93 7.019 -15.919 -20.751 676 1HD PRO 93 2HD PRO 93 8.904 -16.585 -18.786 677 2HD PRO 93 1HD PRO 93 7.615 -15.374 -18.632 678 H ALA 94 H ALA 94 5.824 -20.386 -17.237 679 HA ALA 94 HA ALA 94 8.276 -21.815 -17.836 680 1HB ALA 94 1HB ALA 94 7.083 -22.167 -15.766 681 2HB ALA 94 2HB ALA 94 6.981 -23.668 -16.685 682 3HB ALA 94 3HB ALA 94 5.601 -22.571 -16.631 Start of MODEL 15 1 1H ASN 1 1H ASN 1 -8.693 13.908 3.800 2 2H ASN 1 2H ASN 1 -9.224 14.841 5.116 3 3H ASN 1 3H ASN 1 -9.928 13.326 4.803 4 HA ASN 1 HA ASN 1 -7.117 13.799 5.668 5 1HB ASN 1 2HB ASN 1 -8.958 14.198 7.315 6 2HB ASN 1 1HB ASN 1 -9.519 12.550 7.033 7 1HD2 ASN 1 1HD2 ASN 1 -8.439 10.855 8.131 8 2HD2 ASN 1 2HD2 ASN 1 -7.083 11.092 9.126 9 H ILE 2 H ILE 2 -5.917 12.277 4.576 10 HA ILE 2 HA ILE 2 -7.086 9.761 3.639 11 HB ILE 2 HB ILE 2 -5.173 11.365 2.701 12 1HG1 ILE 2 2HG1 ILE 2 -4.299 8.627 2.228 13 2HG1 ILE 2 1HG1 ILE 2 -6.056 8.770 2.163 14 1HG2 ILE 2 1HG2 ILE 2 -2.948 10.683 3.253 15 2HG2 ILE 2 2HG2 ILE 2 -3.527 9.296 4.173 16 3HG2 ILE 2 3HG2 ILE 2 -3.773 10.928 4.790 17 1HD1 ILE 2 1HD1 ILE 2 -3.996 10.225 0.507 18 2HD1 ILE 2 2HD1 ILE 2 -5.633 10.853 0.688 19 3HD1 ILE 2 3HD1 ILE 2 -5.374 9.273 -0.041 20 H ASP 3 H ASP 3 -6.005 7.644 4.248 21 HA ASP 3 HA ASP 3 -5.496 7.591 7.179 22 1HB ASP 3 2HB ASP 3 -6.865 5.957 5.167 23 2HB ASP 3 1HB ASP 3 -5.894 5.014 6.298 24 H ARG 4 H ARG 4 -3.780 7.454 4.273 25 HA ARG 4 HA ARG 4 -1.591 6.759 3.735 26 1HB ARG 4 2HB ARG 4 -1.596 6.844 6.759 27 2HB ARG 4 1HB ARG 4 -0.133 6.572 5.816 28 1HG ARG 4 2HG ARG 4 0.021 8.752 5.225 29 2HG ARG 4 1HG ARG 4 -1.701 8.850 4.850 30 1HD ARG 4 2HD ARG 4 -0.846 8.688 7.730 31 2HD ARG 4 1HD ARG 4 -0.761 10.242 6.877 32 HE ARG 4 HE ARG 4 -3.232 9.560 6.179 33 1HH1 ARG 4 1HH1 ARG 4 -3.164 7.331 8.251 34 2HH1 ARG 4 2HH1 ARG 4 -3.931 8.100 9.601 35 1HH2 ARG 4 1HH2 ARG 4 -3.560 11.304 8.327 36 2HH2 ARG 4 2HH2 ARG 4 -4.158 10.348 9.642 37 HA PRO 5 HA PRO 5 -2.443 2.368 3.965 38 1HB PRO 5 2HB PRO 5 -0.870 1.661 1.861 39 2HB PRO 5 1HB PRO 5 -2.487 2.366 1.663 40 1HG PRO 5 2HG PRO 5 0.182 3.653 1.419 41 2HG PRO 5 1HG PRO 5 -1.289 3.913 0.472 42 1HD PRO 5 2HD PRO 5 -0.440 5.592 2.467 43 2HD PRO 5 1HD PRO 5 -2.136 5.428 1.963 44 H LYS 6 H LYS 6 -1.003 0.406 4.079 45 HA LYS 6 HA LYS 6 1.813 0.495 4.461 46 1HB LYS 6 2HB LYS 6 1.915 0.544 6.922 47 2HB LYS 6 1HB LYS 6 1.153 2.011 6.319 48 1HG LYS 6 2HG LYS 6 -1.064 0.613 6.582 49 2HG LYS 6 1HG LYS 6 -0.089 -0.325 7.714 50 1HD LYS 6 2HD LYS 6 -0.598 2.664 7.824 51 2HD LYS 6 1HD LYS 6 -1.229 1.449 8.937 52 1HE LYS 6 2HE LYS 6 0.840 1.124 9.974 53 2HE LYS 6 1HE LYS 6 1.748 1.657 8.545 54 1HZ LYS 6 1HZ LYS 6 0.478 3.245 10.625 55 2HZ LYS 6 2HZ LYS 6 0.296 3.825 9.038 56 3HZ LYS 6 3HZ LYS 6 1.849 3.588 9.687 57 H GLY 7 H GLY 7 2.239 -1.626 4.042 58 1HA GLY 7 2HA GLY 7 2.262 -3.950 4.794 59 2HA GLY 7 1HA GLY 7 0.650 -3.704 5.466 60 H LEU 8 H LEU 8 2.125 -3.170 2.245 61 HA LEU 8 HA LEU 8 -0.294 -3.851 0.829 62 1HB LEU 8 2HB LEU 8 0.960 -2.717 -0.688 63 2HB LEU 8 1HB LEU 8 2.365 -2.842 0.362 64 HG LEU 8 HG LEU 8 2.674 -5.211 -0.591 65 1HD1 LEU 8 1HD1 LEU 8 0.242 -4.968 -1.623 66 2HD1 LEU 8 2HD1 LEU 8 1.490 -5.875 -2.476 67 3HD1 LEU 8 3HD1 LEU 8 1.121 -4.220 -2.955 68 1HD2 LEU 8 1HD2 LEU 8 4.264 -3.667 -1.333 69 2HD2 LEU 8 2HD2 LEU 8 3.054 -2.631 -2.087 70 3HD2 LEU 8 3HD2 LEU 8 3.515 -4.151 -2.854 71 H ALA 9 H ALA 9 -0.795 -5.795 -0.310 72 HA ALA 9 HA ALA 9 0.889 -8.184 0.381 73 1HB ALA 9 1HB ALA 9 -1.707 -9.089 0.057 74 2HB ALA 9 2HB ALA 9 -1.940 -7.515 0.819 75 3HB ALA 9 3HB ALA 9 -0.945 -8.738 1.609 76 H PHE 10 H PHE 10 -0.122 -10.095 -1.177 77 HA PHE 10 HA PHE 10 -0.473 -8.982 -3.928 78 1HB PHE 10 2HB PHE 10 1.657 -10.847 -2.878 79 2HB PHE 10 1HB PHE 10 1.258 -10.776 -4.594 80 HD1 PHE 10 HD1 PHE 10 1.456 -8.580 -5.826 81 HD2 PHE 10 HD2 PHE 10 2.955 -9.140 -1.840 82 HE1 PHE 10 HE1 PHE 10 2.865 -6.554 -6.072 83 HE2 PHE 10 HE2 PHE 10 4.364 -7.115 -2.084 84 HZ PHE 10 HZ PHE 10 4.320 -5.821 -4.200 85 H THR 11 H THR 11 -2.066 -10.098 -5.010 86 HA THR 11 HA THR 11 -3.269 -12.466 -3.756 87 HB THR 11 HB THR 11 -3.906 -10.951 -6.307 88 HG1 THR 11 HG1 THR 11 -4.027 -9.566 -4.573 89 1HG2 THR 11 1HG2 THR 11 -5.217 -13.124 -4.754 90 2HG2 THR 11 2HG2 THR 11 -5.188 -12.845 -6.495 91 3HG2 THR 11 3HG2 THR 11 -6.253 -11.887 -5.465 92 H ASP 12 H ASP 12 -2.257 -11.758 -7.128 93 HA ASP 12 HA ASP 12 -0.847 -14.346 -7.277 94 1HB ASP 12 2HB ASP 12 -3.357 -14.651 -7.670 95 2HB ASP 12 1HB ASP 12 -3.135 -13.715 -9.149 96 H VAL 13 H VAL 13 0.934 -14.059 -8.571 97 HA VAL 13 HA VAL 13 1.018 -11.644 -10.321 98 HB VAL 13 HB VAL 13 2.691 -12.062 -8.477 99 1HG1 VAL 13 1HG1 VAL 13 2.656 -14.634 -9.272 100 2HG1 VAL 13 2HG1 VAL 13 4.046 -13.920 -8.456 101 3HG1 VAL 13 3HG1 VAL 13 4.039 -14.076 -10.213 102 1HG2 VAL 13 1HG2 VAL 13 3.195 -10.648 -10.469 103 2HG2 VAL 13 2HG2 VAL 13 3.828 -12.075 -11.290 104 3HG2 VAL 13 3HG2 VAL 13 4.629 -11.462 -9.844 105 H ASP 14 H ASP 14 1.164 -11.881 -12.530 106 HA ASP 14 HA ASP 14 1.643 -14.638 -13.613 107 1HB ASP 14 2HB ASP 14 -0.749 -13.662 -13.583 108 2HB ASP 14 1HB ASP 14 -0.172 -12.554 -14.828 109 H VAL 15 H VAL 15 2.899 -14.724 -15.523 110 HA VAL 15 HA VAL 15 4.962 -12.950 -15.998 111 HB VAL 15 HB VAL 15 4.838 -15.136 -17.006 112 1HG1 VAL 15 1HG1 VAL 15 3.002 -15.955 -18.061 113 2HG1 VAL 15 2HG1 VAL 15 2.786 -14.490 -19.019 114 3HG1 VAL 15 3HG1 VAL 15 2.166 -14.564 -17.371 115 1HG2 VAL 15 1HG2 VAL 15 4.886 -12.784 -18.854 116 2HG2 VAL 15 2HG2 VAL 15 4.905 -14.400 -19.553 117 3HG2 VAL 15 3HG2 VAL 15 6.175 -13.907 -18.437 118 H ASP 16 H ASP 16 1.628 -12.715 -17.184 119 HA ASP 16 HA ASP 16 2.293 -9.994 -18.282 120 1HB ASP 16 2HB ASP 16 0.801 -10.487 -20.129 121 2HB ASP 16 1HB ASP 16 1.917 -11.844 -19.975 122 H SER 17 H SER 17 1.369 -10.434 -15.627 123 HA SER 17 HA SER 17 -0.837 -8.660 -15.436 124 1HB SER 17 2HB SER 17 -2.395 -10.107 -16.286 125 2HB SER 17 1HB SER 17 -1.413 -11.525 -15.935 126 HG SER 17 HG SER 17 -3.419 -11.143 -14.648 127 H ILE 18 H ILE 18 -0.835 -7.960 -13.318 128 HA ILE 18 HA ILE 18 0.117 -9.874 -11.217 129 HB ILE 18 HB ILE 18 0.817 -6.937 -11.324 130 1HG1 ILE 18 2HG1 ILE 18 1.648 -7.938 -13.404 131 2HG1 ILE 18 1HG1 ILE 18 2.999 -7.646 -12.306 132 1HG2 ILE 18 1HG2 ILE 18 1.316 -9.161 -9.544 133 2HG2 ILE 18 2HG2 ILE 18 1.709 -7.456 -9.323 134 3HG2 ILE 18 3HG2 ILE 18 2.838 -8.522 -10.162 135 1HD1 ILE 18 1HD1 ILE 18 3.503 -9.839 -12.232 136 2HD1 ILE 18 2HD1 ILE 18 2.320 -10.088 -13.517 137 3HD1 ILE 18 3HD1 ILE 18 1.839 -10.260 -11.831 138 H LYS 19 H LYS 19 -1.257 -9.950 -9.499 139 HA LYS 19 HA LYS 19 -3.341 -7.819 -9.253 140 1HB LYS 19 2HB LYS 19 -3.098 -10.740 -8.569 141 2HB LYS 19 1HB LYS 19 -4.291 -9.748 -7.729 142 1HG LYS 19 2HG LYS 19 -5.249 -9.054 -9.893 143 2HG LYS 19 1HG LYS 19 -4.055 -10.040 -10.738 144 1HD LYS 19 2HD LYS 19 -5.471 -11.782 -10.577 145 2HD LYS 19 1HD LYS 19 -5.232 -11.748 -8.830 146 1HE LYS 19 2HE LYS 19 -7.123 -9.711 -9.872 147 2HE LYS 19 1HE LYS 19 -7.668 -11.396 -9.991 148 1HZ LYS 19 1HZ LYS 19 -8.198 -10.500 -7.816 149 2HZ LYS 19 2HZ LYS 19 -6.571 -10.086 -7.560 150 3HZ LYS 19 3HZ LYS 19 -7.028 -11.718 -7.672 151 H ILE 20 H ILE 20 -2.360 -6.261 -7.917 152 HA ILE 20 HA ILE 20 -1.064 -7.247 -5.394 153 HB ILE 20 HB ILE 20 0.009 -5.045 -5.402 154 1HG1 ILE 20 2HG1 ILE 20 -1.527 -4.504 -7.949 155 2HG1 ILE 20 1HG1 ILE 20 -2.052 -3.911 -6.374 156 1HG2 ILE 20 1HG2 ILE 20 -0.002 -6.335 -8.149 157 2HG2 ILE 20 2HG2 ILE 20 1.008 -6.826 -6.787 158 3HG2 ILE 20 3HG2 ILE 20 1.243 -5.246 -7.534 159 1HD1 ILE 20 1HD1 ILE 20 -0.706 -2.224 -7.621 160 2HD1 ILE 20 2HD1 ILE 20 0.656 -3.344 -7.615 161 3HD1 ILE 20 3HD1 ILE 20 0.046 -2.690 -6.095 162 H ALA 21 H ALA 21 -1.682 -6.298 -3.374 163 HA ALA 21 HA ALA 21 -4.284 -4.801 -3.417 164 1HB ALA 21 1HB ALA 21 -3.549 -6.673 -1.203 165 2HB ALA 21 2HB ALA 21 -4.046 -7.371 -2.745 166 3HB ALA 21 3HB ALA 21 -5.139 -6.301 -1.868 167 H TRP 22 H TRP 22 -4.185 -2.893 -2.303 168 HA TRP 22 HA TRP 22 -1.994 -2.559 -0.267 169 1HB TRP 22 2HB TRP 22 -2.044 -0.154 -1.032 170 2HB TRP 22 1HB TRP 22 -1.551 -1.288 -2.290 171 HD1 TRP 22 HD1 TRP 22 -4.753 0.493 -1.067 172 HE1 TRP 22 HE1 TRP 22 -6.270 0.910 -3.109 173 HE3 TRP 22 HE3 TRP 22 -1.986 -1.793 -4.682 174 HZ2 TRP 22 HZ2 TRP 22 -6.296 0.347 -5.907 175 HZ3 TRP 22 HZ3 TRP 22 -2.775 -1.833 -7.024 176 HH2 TRP 22 HH2 TRP 22 -4.933 -0.762 -7.640 177 H GLU 23 H GLU 23 -2.577 -1.451 1.654 178 HA GLU 23 HA GLU 23 -5.507 -1.269 2.168 179 1HB GLU 23 2HB GLU 23 -3.488 -2.433 3.528 180 2HB GLU 23 1HB GLU 23 -3.455 -0.834 4.277 181 1HG GLU 23 2HG GLU 23 -5.671 -1.012 5.048 182 2HG GLU 23 1HG GLU 23 -6.050 -2.319 3.926 183 H SER 24 H SER 24 -5.206 0.798 0.691 184 HA SER 24 HA SER 24 -4.125 3.133 2.152 185 1HB SER 24 2HB SER 24 -4.987 2.420 -0.600 186 2HB SER 24 1HB SER 24 -5.065 4.121 -0.148 187 HG SER 24 HG SER 24 -2.996 3.124 -1.035 188 HA PRO 25 HA PRO 25 -8.695 4.352 1.709 189 1HB PRO 25 2HB PRO 25 -10.517 2.456 1.004 190 2HB PRO 25 1HB PRO 25 -9.631 3.434 -0.180 191 1HG PRO 25 2HG PRO 25 -9.232 0.613 0.612 192 2HG PRO 25 1HG PRO 25 -8.924 1.411 -0.937 193 1HD PRO 25 2HD PRO 25 -7.002 0.749 0.985 194 2HD PRO 25 1HD PRO 25 -6.770 1.857 -0.383 195 H GLN 26 H GLN 26 -9.881 4.541 3.574 196 HA GLN 26 HA GLN 26 -10.486 2.159 5.223 197 1HB GLN 26 2HB GLN 26 -8.738 4.491 6.057 198 2HB GLN 26 1HB GLN 26 -9.407 3.323 7.195 199 1HG GLN 26 2HG GLN 26 -8.315 1.515 5.731 200 2HG GLN 26 1HG GLN 26 -7.415 2.833 4.977 201 1HE2 GLN 26 1HE2 GLN 26 -5.446 1.758 5.980 202 2HE2 GLN 26 2HE2 GLN 26 -5.087 2.078 7.608 203 H GLY 27 H GLY 27 -10.647 5.689 4.831 204 1HA GLY 27 2HA GLY 27 -13.351 5.606 6.126 205 2HA GLY 27 1HA GLY 27 -12.257 6.980 6.297 206 H GLN 28 H GLN 28 -11.444 7.736 3.957 207 HA GLN 28 HA GLN 28 -13.343 7.479 1.773 208 1HB GLN 28 2HB GLN 28 -14.351 8.924 3.764 209 2HB GLN 28 1HB GLN 28 -13.359 10.192 3.044 210 1HG GLN 28 2HG GLN 28 -14.675 10.350 1.192 211 2HG GLN 28 1HG GLN 28 -14.938 8.607 1.115 212 1HE2 GLN 28 1HE2 GLN 28 -16.667 11.356 1.479 213 2HE2 GLN 28 2HE2 GLN 28 -17.893 10.815 2.522 214 H VAL 29 H VAL 29 -11.359 7.245 0.561 215 HA VAL 29 HA VAL 29 -9.374 9.417 0.618 216 HB VAL 29 HB VAL 29 -9.279 6.717 0.243 217 1HG1 VAL 29 1HG1 VAL 29 -10.373 7.263 -2.097 218 2HG1 VAL 29 2HG1 VAL 29 -9.077 6.072 -1.987 219 3HG1 VAL 29 3HG1 VAL 29 -8.724 7.711 -2.537 220 1HG2 VAL 29 1HG2 VAL 29 -6.971 7.101 -0.598 221 2HG2 VAL 29 2HG2 VAL 29 -7.377 8.150 0.761 222 3HG2 VAL 29 3HG2 VAL 29 -7.384 8.792 -0.881 223 H SER 30 H SER 30 -8.631 9.697 -2.023 224 HA SER 30 HA SER 30 -11.100 10.777 -3.349 225 1HB SER 30 2HB SER 30 -9.700 12.516 -2.334 226 2HB SER 30 1HB SER 30 -8.285 11.898 -3.180 227 HG SER 30 HG SER 30 -8.888 13.146 -4.750 228 H ARG 31 H ARG 31 -7.656 10.300 -4.234 229 HA ARG 31 HA ARG 31 -8.575 8.716 -6.610 230 1HB ARG 31 2HB ARG 31 -7.096 11.249 -6.381 231 2HB ARG 31 1HB ARG 31 -6.316 10.068 -7.434 232 1HG ARG 31 2HG ARG 31 -7.783 11.229 -8.880 233 2HG ARG 31 1HG ARG 31 -8.658 9.747 -8.488 234 1HD ARG 31 2HD ARG 31 -10.321 10.903 -7.454 235 2HD ARG 31 1HD ARG 31 -9.157 11.882 -6.536 236 HE ARG 31 HE ARG 31 -9.150 12.611 -9.335 237 1HH1 ARG 31 1HH2 ARG 31 -10.553 13.100 -6.232 238 2HH1 ARG 31 2HH2 ARG 31 -11.387 14.548 -6.687 239 1HH2 ARG 31 1HH1 ARG 31 -10.353 14.423 -9.995 240 2HH2 ARG 31 2HH1 ARG 31 -11.271 15.300 -8.815 241 H TYR 32 H TYR 32 -6.645 7.492 -7.584 242 HA TYR 32 HA TYR 32 -4.730 6.660 -5.432 243 1HB TYR 32 2HB TYR 32 -6.631 5.150 -7.163 244 2HB TYR 32 1HB TYR 32 -5.073 4.392 -6.831 245 HD1 TYR 32 HD1 TYR 32 -8.335 5.204 -5.507 246 HD2 TYR 32 HD2 TYR 32 -4.313 4.175 -4.418 247 HE1 TYR 32 HE1 TYR 32 -9.111 4.574 -3.238 248 HE2 TYR 32 HE2 TYR 32 -5.090 3.544 -2.157 249 HH TYR 32 HH TYR 32 -7.123 4.224 -0.650 250 H ARG 33 H ARG 33 -2.654 7.002 -6.106 251 HA ARG 33 HA ARG 33 -2.109 7.342 -9.006 252 1HB ARG 33 2HB ARG 33 -1.402 8.928 -7.112 253 2HB ARG 33 1HB ARG 33 -0.232 7.686 -6.661 254 1HG ARG 33 2HG ARG 33 0.901 9.228 -8.124 255 2HG ARG 33 1HG ARG 33 0.617 7.748 -9.040 256 1HD ARG 33 2HD ARG 33 -0.297 9.141 -10.607 257 2HD ARG 33 1HD ARG 33 -1.697 9.189 -9.517 258 HE ARG 33 HE ARG 33 -0.433 11.142 -8.379 259 1HH1 ARG 33 1HH2 ARG 33 1.918 11.156 -10.196 260 2HH1 ARG 33 2HH2 ARG 33 1.480 12.349 -11.373 261 1HH2 ARG 33 1HH1 ARG 33 -1.889 12.318 -10.542 262 2HH2 ARG 33 2HH1 ARG 33 -0.674 13.006 -11.569 263 H VAL 34 H VAL 34 -1.678 5.407 -10.016 264 HA VAL 34 HA VAL 34 -0.117 3.336 -8.541 265 HB VAL 34 HB VAL 34 -1.737 3.268 -11.108 266 1HG1 VAL 34 1HG1 VAL 34 -0.310 1.457 -11.363 267 2HG1 VAL 34 2HG1 VAL 34 -1.589 0.711 -10.408 268 3HG1 VAL 34 3HG1 VAL 34 -0.102 1.243 -9.626 269 1HG2 VAL 34 1HG2 VAL 34 -3.052 3.665 -9.021 270 2HG2 VAL 34 2HG2 VAL 34 -2.363 2.193 -8.338 271 3HG2 VAL 34 3HG2 VAL 34 -3.409 2.101 -9.754 272 H THR 35 H THR 35 2.024 4.142 -8.820 273 HA THR 35 HA THR 35 2.948 4.551 -11.637 274 HB THR 35 HB THR 35 4.970 5.303 -9.890 275 HG1 THR 35 HG1 THR 35 4.054 5.599 -8.044 276 1HG2 THR 35 1HG2 THR 35 4.147 7.626 -10.362 277 2HG2 THR 35 2HG2 THR 35 2.693 6.916 -11.065 278 3HG2 THR 35 3HG2 THR 35 4.267 6.613 -11.802 279 H TYR 36 H TYR 36 4.554 3.230 -12.462 280 HA TYR 36 HA TYR 36 5.973 1.338 -10.667 281 1HB TYR 36 2HB TYR 36 5.270 -0.491 -12.366 282 2HB TYR 36 1HB TYR 36 4.048 0.053 -11.218 283 HD1 TYR 36 HD1 TYR 36 5.339 0.666 -14.677 284 HD2 TYR 36 HD2 TYR 36 2.014 0.966 -11.973 285 HE1 TYR 36 HE1 TYR 36 3.874 1.369 -16.553 286 HE2 TYR 36 HE2 TYR 36 0.550 1.667 -13.847 287 HH TYR 36 HH TYR 36 1.326 2.914 -16.414 288 H SER 37 H SER 37 7.898 0.447 -11.713 289 HA SER 37 HA SER 37 8.514 1.494 -14.412 290 1HB SER 37 2HB SER 37 10.339 2.799 -13.682 291 2HB SER 37 1HB SER 37 9.076 3.140 -12.504 292 HG SER 37 HG SER 37 10.362 2.352 -11.056 293 H SER 38 H SER 38 11.035 0.869 -14.785 294 HA SER 38 HA SER 38 11.673 -1.788 -13.635 295 1HB SER 38 2HB SER 38 10.177 -1.416 -15.988 296 2HB SER 38 1HB SER 38 11.797 -1.844 -16.533 297 HG SER 38 HG SER 38 9.897 -3.384 -15.374 298 HA PRO 39 HA PRO 39 15.746 -0.344 -14.458 299 1HB PRO 39 2HB PRO 39 17.104 -2.698 -14.730 300 2HB PRO 39 1HB PRO 39 16.508 -2.103 -13.167 301 1HG PRO 39 2HG PRO 39 15.392 -4.208 -14.941 302 2HG PRO 39 1HG PRO 39 15.407 -4.107 -13.174 303 1HD PRO 39 2HD PRO 39 13.219 -3.531 -14.760 304 2HD PRO 39 1HD PRO 39 13.455 -2.937 -13.103 305 H GLU 40 H GLU 40 14.239 -0.108 -16.775 306 HA GLU 40 HA GLU 40 16.099 -0.119 -18.890 307 1HB GLU 40 2HB GLU 40 14.935 -2.720 -18.221 308 2HB GLU 40 1HB GLU 40 14.678 -2.285 -19.911 309 1HG GLU 40 2HG GLU 40 16.926 -2.312 -20.407 310 2HG GLU 40 1HG GLU 40 17.397 -1.810 -18.784 311 H ASP 41 H ASP 41 12.693 -1.148 -18.402 312 HA ASP 41 HA ASP 41 11.700 0.204 -20.755 313 1HB ASP 41 2HB ASP 41 10.809 -1.578 -18.761 314 2HB ASP 41 1HB ASP 41 9.753 -0.170 -18.645 315 H GLY 42 H GLY 42 11.786 1.023 -17.301 316 1HA GLY 42 2HA GLY 42 12.231 3.399 -16.716 317 2HA GLY 42 1HA GLY 42 11.186 3.846 -18.061 318 H ILE 43 H ILE 43 10.218 5.085 -16.069 319 HA ILE 43 HA ILE 43 8.364 3.326 -14.525 320 HB ILE 43 HB ILE 43 9.946 4.949 -13.410 321 1HG1 ILE 43 2HG1 ILE 43 7.158 5.897 -12.859 322 2HG1 ILE 43 1HG1 ILE 43 7.516 4.186 -12.631 323 1HG2 ILE 43 1HG2 ILE 43 8.141 6.910 -14.852 324 2HG2 ILE 43 2HG2 ILE 43 9.894 6.772 -14.987 325 3HG2 ILE 43 3HG2 ILE 43 9.168 7.361 -13.491 326 1HD1 ILE 43 1HD1 ILE 43 8.239 6.434 -10.956 327 2HD1 ILE 43 2HD1 ILE 43 9.681 5.559 -11.472 328 3HD1 ILE 43 3HD1 ILE 43 8.390 4.709 -10.623 329 H HIS 44 H HIS 44 6.117 4.030 -14.289 330 HA HIS 44 HA HIS 44 5.134 5.817 -16.480 331 1HB HIS 44 2HB HIS 44 4.932 3.012 -16.322 332 2HB HIS 44 1HB HIS 44 3.342 3.616 -15.854 333 HD1 HIS 44 HD1 HIS 44 2.392 2.762 -18.174 334 HD2 HIS 44 HD2 HIS 44 5.277 5.756 -18.464 335 HE1 HIS 44 HE1 HIS 44 2.256 3.664 -20.540 336 H GLU 45 H GLU 45 3.197 6.974 -15.904 337 HA GLU 45 HA GLU 45 2.650 6.983 -12.961 338 1HB GLU 45 2HB GLU 45 3.527 9.011 -14.228 339 2HB GLU 45 1HB GLU 45 1.971 9.064 -15.055 340 1HG GLU 45 2HG GLU 45 1.523 8.789 -12.226 341 2HG GLU 45 1HG GLU 45 2.614 10.146 -12.511 342 H LEU 46 H LEU 46 1.261 4.956 -13.646 343 HA LEU 46 HA LEU 46 -1.250 5.489 -15.031 344 1HB LEU 46 2HB LEU 46 0.096 3.299 -14.755 345 2HB LEU 46 1HB LEU 46 -0.601 3.225 -13.136 346 HG LEU 46 HG LEU 46 -2.796 3.777 -14.686 347 1HD1 LEU 46 1HD1 LEU 46 -2.185 1.604 -16.307 348 2HD1 LEU 46 2HD1 LEU 46 -0.740 2.612 -16.373 349 3HD1 LEU 46 3HD1 LEU 46 -2.308 3.286 -16.822 350 1HD2 LEU 46 1HD2 LEU 46 -1.869 0.957 -14.168 351 2HD2 LEU 46 2HD2 LEU 46 -3.506 1.604 -14.078 352 3HD2 LEU 46 3HD2 LEU 46 -2.323 2.025 -12.840 353 H PHE 47 H PHE 47 -3.364 5.639 -13.952 354 HA PHE 47 HA PHE 47 -3.515 5.689 -11.035 355 1HB PHE 47 2HB PHE 47 -3.440 7.997 -10.656 356 2HB PHE 47 1HB PHE 47 -2.240 7.802 -11.929 357 HD1 PHE 47 HD1 PHE 47 -3.963 7.407 -14.315 358 HD2 PHE 47 HD2 PHE 47 -4.357 10.142 -11.026 359 HE1 PHE 47 HE1 PHE 47 -5.253 8.959 -15.759 360 HE2 PHE 47 HE2 PHE 47 -5.646 11.694 -12.469 361 HZ PHE 47 HZ PHE 47 -6.095 11.102 -14.836 362 HA PRO 48 HA PRO 48 -7.563 5.760 -13.521 363 1HB PRO 48 2HB PRO 48 -8.158 3.090 -13.453 364 2HB PRO 48 1HB PRO 48 -7.264 3.845 -14.790 365 1HG PRO 48 2HG PRO 48 -6.230 2.284 -12.469 366 2HG PRO 48 1HG PRO 48 -5.721 2.255 -14.165 367 1HD PRO 48 2HD PRO 48 -4.339 3.589 -12.244 368 2HD PRO 48 1HD PRO 48 -4.395 4.113 -13.936 369 H ALA 49 H ALA 49 -7.908 6.792 -11.350 370 HA ALA 49 HA ALA 49 -8.236 5.707 -8.866 371 1HB ALA 49 1HB ALA 49 -9.621 7.740 -10.510 372 2HB ALA 49 2HB ALA 49 -8.863 7.903 -8.927 373 3HB ALA 49 3HB ALA 49 -10.485 7.225 -9.063 374 HA PRO 50 HA PRO 50 -11.054 2.325 -9.788 375 1HB PRO 50 2HB PRO 50 -10.919 1.214 -7.288 376 2HB PRO 50 1HB PRO 50 -9.672 0.962 -8.530 377 1HG PRO 50 2HG PRO 50 -9.677 2.842 -6.211 378 2HG PRO 50 1HG PRO 50 -8.361 1.845 -6.850 379 1HD PRO 50 2HD PRO 50 -8.559 4.498 -7.371 380 2HD PRO 50 1HD PRO 50 -7.852 3.343 -8.524 381 H ASP 51 H ASP 51 -13.204 1.830 -9.063 382 HA ASP 51 HA ASP 51 -14.660 4.117 -8.060 383 1HB ASP 51 2HB ASP 51 -15.531 2.607 -9.744 384 2HB ASP 51 1HB ASP 51 -15.367 1.233 -8.647 385 H GLY 52 H GLY 52 -13.272 1.272 -6.579 386 1HA GLY 52 2HA GLY 52 -13.021 1.727 -4.030 387 2HA GLY 52 1HA GLY 52 -14.783 1.828 -4.064 388 H GLU 53 H GLU 53 -14.634 -0.340 -6.263 389 HA GLU 53 HA GLU 53 -14.800 -2.616 -4.394 390 1HB GLU 53 2HB GLU 53 -15.338 -2.312 -7.367 391 2HB GLU 53 1HB GLU 53 -15.777 -3.714 -6.391 392 1HG GLU 53 2HG GLU 53 -17.712 -2.692 -5.867 393 2HG GLU 53 1HG GLU 53 -16.788 -1.444 -5.031 394 H GLU 54 H GLU 54 -12.294 -1.167 -5.911 395 HA GLU 54 HA GLU 54 -10.941 -3.764 -6.556 396 1HB GLU 54 2HB GLU 54 -11.244 -1.206 -7.944 397 2HB GLU 54 1HB GLU 54 -9.560 -1.715 -7.826 398 1HG GLU 54 2HG GLU 54 -10.387 -4.021 -8.623 399 2HG GLU 54 1HG GLU 54 -11.872 -3.188 -9.083 400 H ASP 55 H ASP 55 -10.378 -3.712 -4.145 401 HA ASP 55 HA ASP 55 -8.665 -1.629 -3.092 402 1HB ASP 55 2HB ASP 55 -9.984 -3.100 -1.668 403 2HB ASP 55 1HB ASP 55 -9.175 -4.522 -2.330 404 H THR 56 H THR 56 -8.122 -3.993 -5.433 405 HA THR 56 HA THR 56 -5.167 -4.024 -4.878 406 HB THR 56 HB THR 56 -5.364 -6.189 -6.276 407 HG1 THR 56 HG1 THR 56 -7.310 -6.114 -7.173 408 1HG2 THR 56 1HG2 THR 56 -5.179 -7.064 -4.217 409 2HG2 THR 56 2HG2 THR 56 -6.935 -6.994 -4.061 410 3HG2 THR 56 3HG2 THR 56 -5.947 -5.638 -3.518 411 H ALA 57 H ALA 57 -4.519 -5.079 -7.501 412 HA ALA 57 HA ALA 57 -5.590 -3.101 -9.444 413 1HB ALA 57 1HB ALA 57 -3.086 -2.600 -9.967 414 2HB ALA 57 2HB ALA 57 -2.797 -3.232 -8.353 415 3HB ALA 57 3HB ALA 57 -3.821 -1.828 -8.571 416 H GLU 58 H GLU 58 -5.527 -3.869 -11.532 417 HA GLU 58 HA GLU 58 -4.359 -6.587 -11.970 418 1HB GLU 58 2HB GLU 58 -6.872 -5.616 -12.361 419 2HB GLU 58 1HB GLU 58 -6.163 -5.297 -13.945 420 1HG GLU 58 2HG GLU 58 -5.411 -7.674 -14.049 421 2HG GLU 58 1HG GLU 58 -6.240 -7.974 -12.521 422 H LEU 59 H LEU 59 -2.187 -5.506 -12.236 423 HA LEU 59 HA LEU 59 -1.783 -3.711 -14.504 424 1HB LEU 59 2HB LEU 59 -0.081 -5.145 -12.469 425 2HB LEU 59 1HB LEU 59 0.670 -4.316 -13.835 426 HG LEU 59 HG LEU 59 -1.322 -2.979 -11.989 427 1HD1 LEU 59 1HD1 LEU 59 1.219 -1.898 -11.531 428 2HD1 LEU 59 2HD1 LEU 59 1.486 -3.641 -11.567 429 3HD1 LEU 59 3HD1 LEU 59 0.320 -2.951 -10.437 430 1HD2 LEU 59 1HD2 LEU 59 -0.585 -0.953 -13.035 431 2HD2 LEU 59 2HD2 LEU 59 -0.873 -2.095 -14.348 432 3HD2 LEU 59 3HD2 LEU 59 0.774 -1.767 -13.809 433 H GLN 60 H GLN 60 -2.623 -5.000 -16.239 434 HA GLN 60 HA GLN 60 -1.078 -7.486 -16.846 435 1HB GLN 60 2HB GLN 60 -3.688 -6.511 -18.015 436 2HB GLN 60 1HB GLN 60 -3.046 -8.151 -18.037 437 1HG GLN 60 2HG GLN 60 -3.300 -8.342 -15.623 438 2HG GLN 60 1HG GLN 60 -3.792 -6.651 -15.511 439 1HE2 GLN 60 1HE2 GLN 60 -5.916 -6.066 -16.452 440 2HE2 GLN 60 2HE2 GLN 60 -7.104 -7.256 -16.687 441 H GLY 61 H GLY 61 0.046 -7.648 -18.782 442 1HA GLY 61 2HA GLY 61 0.363 -6.963 -21.139 443 2HA GLY 61 1HA GLY 61 -0.118 -5.332 -20.665 444 H LEU 62 H LEU 62 2.157 -7.558 -19.061 445 HA LEU 62 HA LEU 62 4.267 -5.440 -19.358 446 1HB LEU 62 2HB LEU 62 4.361 -7.578 -17.251 447 2HB LEU 62 1HB LEU 62 4.906 -5.906 -17.160 448 HG LEU 62 HG LEU 62 2.004 -6.807 -17.211 449 1HD1 LEU 62 1HD1 LEU 62 2.802 -7.352 -15.061 450 2HD1 LEU 62 2HD1 LEU 62 2.147 -5.728 -14.847 451 3HD1 LEU 62 3HD1 LEU 62 3.888 -5.963 -15.010 452 1HD2 LEU 62 1HD2 LEU 62 1.442 -4.492 -16.925 453 2HD2 LEU 62 2HD2 LEU 62 2.608 -4.542 -18.247 454 3HD2 LEU 62 3HD2 LEU 62 3.124 -4.048 -16.634 455 H ARG 63 H ARG 63 6.555 -6.622 -18.983 456 HA ARG 63 HA ARG 63 6.835 -8.542 -21.185 457 1HB ARG 63 2HB ARG 63 9.233 -8.228 -20.678 458 2HB ARG 63 1HB ARG 63 8.400 -6.674 -20.762 459 1HG ARG 63 2HG ARG 63 8.394 -6.410 -18.419 460 2HG ARG 63 1HG ARG 63 8.699 -8.123 -18.137 461 1HD ARG 63 2HD ARG 63 10.690 -6.460 -17.834 462 2HD ARG 63 1HD ARG 63 10.983 -7.935 -18.775 463 HE ARG 63 HE ARG 63 10.494 -6.530 -20.831 464 1HH1 ARG 63 1HH2 ARG 63 10.273 -4.569 -18.132 465 2HH1 ARG 63 2HH2 ARG 63 11.366 -3.353 -18.700 466 1HH2 ARG 63 1HH1 ARG 63 12.399 -5.188 -21.455 467 2HH2 ARG 63 2HH1 ARG 63 12.568 -3.700 -20.583 468 HA PRO 64 HA PRO 64 6.719 -12.124 -18.641 469 1HB PRO 64 2HB PRO 64 8.012 -13.864 -20.299 470 2HB PRO 64 1HB PRO 64 6.352 -13.313 -20.585 471 1HG PRO 64 2HG PRO 64 8.883 -12.425 -21.861 472 2HG PRO 64 1HG PRO 64 7.272 -12.625 -22.564 473 1HD PRO 64 2HD PRO 64 8.349 -10.201 -21.852 474 2HD PRO 64 1HD PRO 64 6.605 -10.530 -21.949 475 H GLY 65 H GLY 65 8.044 -12.280 -16.852 476 1HA GLY 65 2HA GLY 65 9.990 -12.985 -15.687 477 2HA GLY 65 1HA GLY 65 10.846 -13.073 -17.227 478 H SER 66 H SER 66 9.592 -10.759 -14.832 479 HA SER 66 HA SER 66 12.015 -9.148 -15.037 480 1HB SER 66 2HB SER 66 11.184 -7.363 -16.288 481 2HB SER 66 1HB SER 66 10.407 -8.726 -17.089 482 HG SER 66 HG SER 66 8.561 -8.326 -15.862 483 H GLU 67 H GLU 67 12.274 -8.264 -13.017 484 HA GLU 67 HA GLU 67 10.202 -8.402 -11.009 485 1HB GLU 67 2HB GLU 67 12.616 -8.541 -10.544 486 2HB GLU 67 1HB GLU 67 12.835 -6.895 -11.146 487 1HG GLU 67 2HG GLU 67 11.095 -6.210 -9.368 488 2HG GLU 67 1HG GLU 67 11.384 -7.799 -8.658 489 H TYR 68 H TYR 68 8.408 -7.170 -11.802 490 HA TYR 68 HA TYR 68 8.650 -4.461 -12.776 491 1HB TYR 68 2HB TYR 68 6.724 -6.499 -12.532 492 2HB TYR 68 1HB TYR 68 6.085 -5.141 -11.606 493 HD1 TYR 68 HD1 TYR 68 7.960 -5.654 -14.828 494 HD2 TYR 68 HD2 TYR 68 4.752 -3.655 -12.787 495 HE1 TYR 68 HE1 TYR 68 7.332 -4.507 -16.936 496 HE2 TYR 68 HE2 TYR 68 4.127 -2.507 -14.893 497 HH TYR 68 HH TYR 68 5.995 -3.017 -17.887 498 H THR 69 H THR 69 9.292 -2.787 -11.467 499 HA THR 69 HA THR 69 8.806 -2.885 -8.548 500 HB THR 69 HB THR 69 10.037 -0.633 -10.136 501 HG1 THR 69 HG1 THR 69 11.962 -1.796 -10.124 502 1HG2 THR 69 1HG2 THR 69 11.359 -0.321 -8.145 503 2HG2 THR 69 2HG2 THR 69 10.784 -1.845 -7.465 504 3HG2 THR 69 3HG2 THR 69 9.675 -0.486 -7.644 505 H VAL 70 H VAL 70 6.564 -2.475 -8.247 506 HA VAL 70 HA VAL 70 5.448 -0.035 -9.559 507 HB VAL 70 HB VAL 70 4.032 -2.270 -8.092 508 1HG1 VAL 70 1HG1 VAL 70 3.222 0.207 -9.369 509 2HG1 VAL 70 2HG1 VAL 70 2.250 -0.928 -8.432 510 3HG1 VAL 70 3HG1 VAL 70 2.471 -1.178 -10.163 511 1HG2 VAL 70 1HG2 VAL 70 5.437 -3.053 -10.044 512 2HG2 VAL 70 2HG2 VAL 70 4.489 -1.985 -11.078 513 3HG2 VAL 70 3HG2 VAL 70 3.707 -3.330 -10.246 514 H SER 71 H SER 71 4.492 1.599 -8.311 515 HA SER 71 HA SER 71 4.954 1.443 -5.349 516 1HB SER 71 2HB SER 71 6.448 3.038 -6.282 517 2HB SER 71 1HB SER 71 5.235 3.638 -7.408 518 HG SER 71 HG SER 71 4.696 5.009 -5.921 519 H VAL 72 H VAL 72 3.114 1.679 -4.129 520 HA VAL 72 HA VAL 72 0.602 2.513 -5.528 521 HB VAL 72 HB VAL 72 1.263 0.876 -3.074 522 1HG1 VAL 72 1HG1 VAL 72 -0.662 2.011 -2.342 523 2HG1 VAL 72 2HG1 VAL 72 -1.323 0.553 -3.080 524 3HG1 VAL 72 3HG1 VAL 72 -1.353 2.079 -3.962 525 1HG2 VAL 72 1HG2 VAL 72 0.189 -0.907 -4.323 526 2HG2 VAL 72 2HG2 VAL 72 1.387 -0.147 -5.371 527 3HG2 VAL 72 3HG2 VAL 72 -0.324 0.223 -5.576 528 H VAL 73 H VAL 73 -0.136 4.555 -5.085 529 HA VAL 73 HA VAL 73 0.432 5.706 -2.377 530 HB VAL 73 HB VAL 73 0.597 7.125 -5.051 531 1HG1 VAL 73 1HG1 VAL 73 0.011 8.586 -3.161 532 2HG1 VAL 73 2HG1 VAL 73 1.659 8.911 -3.700 533 3HG1 VAL 73 3HG1 VAL 73 1.379 7.962 -2.240 534 1HG2 VAL 73 1HG2 VAL 73 2.481 5.420 -3.661 535 2HG2 VAL 73 2HG2 VAL 73 3.107 7.063 -3.775 536 3HG2 VAL 73 3HG2 VAL 73 2.641 6.194 -5.237 537 H ALA 74 H ALA 74 -1.287 6.895 -1.504 538 HA ALA 74 HA ALA 74 -3.868 6.776 -2.982 539 1HB ALA 74 1HB ALA 74 -4.222 6.029 -0.823 540 2HB ALA 74 2HB ALA 74 -4.480 7.749 -0.552 541 3HB ALA 74 3HB ALA 74 -2.925 7.023 -0.162 542 H LEU 75 H LEU 75 -5.282 8.872 -2.597 543 HA LEU 75 HA LEU 75 -3.556 11.308 -2.759 544 1HB LEU 75 2HB LEU 75 -5.693 10.362 -4.675 545 2HB LEU 75 1HB LEU 75 -4.945 11.960 -4.740 546 HG LEU 75 HG LEU 75 -3.428 9.347 -4.863 547 1HD1 LEU 75 1HD1 LEU 75 -3.035 10.359 -7.277 548 2HD1 LEU 75 2HD1 LEU 75 -4.569 11.166 -6.960 549 3HD1 LEU 75 3HD1 LEU 75 -4.479 9.405 -6.940 550 1HD2 LEU 75 1HD2 LEU 75 -2.627 12.257 -5.214 551 2HD2 LEU 75 2HD2 LEU 75 -1.578 10.892 -5.593 552 3HD2 LEU 75 3HD2 LEU 75 -2.102 11.166 -3.932 553 H HIS 76 H HIS 76 -5.278 13.237 -3.156 554 HA HIS 76 HA HIS 76 -7.821 13.108 -1.820 555 1HB HIS 76 2HB HIS 76 -5.922 12.722 -0.035 556 2HB HIS 76 1HB HIS 76 -5.685 14.462 -0.183 557 HD1 HIS 76 HD1 HIS 76 -8.779 12.227 0.100 558 HD2 HIS 76 HD2 HIS 76 -7.191 15.718 1.736 559 HE1 HIS 76 HE1 HIS 76 -10.479 13.071 1.781 560 H ASP 77 H ASP 77 -7.713 15.800 -0.735 561 HA ASP 77 HA ASP 77 -8.272 17.432 -2.900 562 1HB ASP 77 2HB ASP 77 -8.633 18.048 -0.564 563 2HB ASP 77 1HB ASP 77 -6.892 18.097 -0.282 564 H ASP 78 H ASP 78 -5.083 16.858 -1.419 565 HA ASP 78 HA ASP 78 -3.655 17.219 -3.907 566 1HB ASP 78 2HB ASP 78 -4.429 19.559 -3.326 567 2HB ASP 78 1HB ASP 78 -3.447 19.453 -1.864 568 H MET 79 H MET 79 -3.535 15.188 -2.041 569 HA MET 79 HA MET 79 -0.955 15.686 -0.591 570 1HB MET 79 2HB MET 79 -3.501 14.264 0.045 571 2HB MET 79 1HB MET 79 -2.006 13.617 0.721 572 1HG MET 79 2HG MET 79 -1.491 15.723 1.786 573 2HG MET 79 1HG MET 79 -2.832 16.522 0.964 574 1HE MET 79 1HE MET 79 -1.966 13.368 2.637 575 2HE MET 79 2HE MET 79 -3.589 12.760 2.320 576 3HE MET 79 3HE MET 79 -3.100 13.120 3.973 577 H GLU 80 H GLU 80 0.408 13.734 -0.362 578 HA GLU 80 HA GLU 80 -0.016 11.661 -2.474 579 1HB GLU 80 2HB GLU 80 2.326 13.511 -2.000 580 2HB GLU 80 1HB GLU 80 2.553 11.962 -2.811 581 1HG GLU 80 2HG GLU 80 0.269 13.179 -3.990 582 2HG GLU 80 1HG GLU 80 1.522 14.417 -3.904 583 H SER 81 H SER 81 -0.708 10.682 -0.258 584 HA SER 81 HA SER 81 0.682 10.116 1.993 585 1HB SER 81 2HB SER 81 -0.714 8.304 2.124 586 2HB SER 81 1HB SER 81 -1.407 9.004 0.664 587 HG SER 81 HG SER 81 -0.897 6.836 0.314 588 H GLN 82 H GLN 82 2.359 8.668 2.678 589 HA GLN 82 HA GLN 82 4.745 8.537 1.321 590 1HB GLN 82 2HB GLN 82 3.366 6.983 3.419 591 2HB GLN 82 1HB GLN 82 4.700 6.130 2.643 592 1HG GLN 82 2HG GLN 82 5.582 7.362 4.542 593 2HG GLN 82 1HG GLN 82 6.151 8.135 3.062 594 1HE2 GLN 82 1HE2 GLN 82 3.270 8.355 5.242 595 2HE2 GLN 82 2HE2 GLN 82 3.193 10.050 5.203 596 HA PRO 83 HA PRO 83 3.576 6.053 -2.194 597 1HB PRO 83 2HB PRO 83 6.050 6.073 -3.380 598 2HB PRO 83 1HB PRO 83 4.910 7.429 -3.482 599 1HG PRO 83 2HG PRO 83 7.268 7.076 -1.690 600 2HG PRO 83 1HG PRO 83 6.711 8.520 -2.551 601 1HD PRO 83 2HD PRO 83 6.247 8.140 0.091 602 2HD PRO 83 1HD PRO 83 5.115 9.022 -0.962 603 H LEU 84 H LEU 84 3.254 3.994 -1.337 604 HA LEU 84 HA LEU 84 5.312 2.425 -0.048 605 1HB LEU 84 2HB LEU 84 2.891 2.183 0.348 606 2HB LEU 84 1HB LEU 84 2.657 1.700 -1.332 607 HG LEU 84 HG LEU 84 4.251 -0.217 -0.904 608 1HD1 LEU 84 1HD1 LEU 84 5.445 0.475 1.025 609 2HD1 LEU 84 2HD1 LEU 84 4.378 -0.804 1.604 610 3HD1 LEU 84 3HD1 LEU 84 3.965 0.887 1.892 611 1HD2 LEU 84 1HD2 LEU 84 2.342 -1.066 0.968 612 2HD2 LEU 84 2HD2 LEU 84 2.247 -1.247 -0.784 613 3HD2 LEU 84 3HD2 LEU 84 1.512 0.151 -0.001 614 H ILE 85 H ILE 85 6.217 0.401 -0.943 615 HA ILE 85 HA ILE 85 6.593 0.556 -3.915 616 HB ILE 85 HB ILE 85 8.337 -0.246 -1.587 617 1HG1 ILE 85 2HG1 ILE 85 8.122 2.155 -2.490 618 2HG1 ILE 85 1HG1 ILE 85 9.755 1.500 -2.376 619 1HG2 ILE 85 1HG2 ILE 85 8.351 -1.306 -4.325 620 2HG2 ILE 85 2HG2 ILE 85 9.199 -1.888 -2.892 621 3HG2 ILE 85 3HG2 ILE 85 9.890 -0.583 -3.856 622 1HD1 ILE 85 1HD1 ILE 85 8.042 1.592 -4.877 623 2HD1 ILE 85 2HD1 ILE 85 9.645 0.864 -4.778 624 3HD1 ILE 85 3HD1 ILE 85 9.451 2.602 -4.546 625 H GLY 86 H GLY 86 6.423 -1.384 -5.105 626 1HA GLY 86 2HA GLY 86 5.747 -3.866 -3.614 627 2HA GLY 86 1HA GLY 86 4.607 -3.279 -4.826 628 H THR 87 H THR 87 7.967 -4.356 -4.399 629 HA THR 87 HA THR 87 8.386 -4.617 -7.296 630 HB THR 87 HB THR 87 10.094 -5.761 -5.092 631 HG1 THR 87 HG1 THR 87 10.234 -3.844 -4.293 632 1HG2 THR 87 1HG2 THR 87 11.690 -4.441 -6.888 633 2HG2 THR 87 2HG2 THR 87 10.375 -5.001 -7.921 634 3HG2 THR 87 3HG2 THR 87 11.304 -6.159 -6.971 635 H GLN 88 H GLN 88 7.244 -6.291 -8.255 636 HA GLN 88 HA GLN 88 7.240 -8.946 -6.858 637 1HB GLN 88 2HB GLN 88 5.241 -7.308 -8.258 638 2HB GLN 88 1HB GLN 88 5.255 -8.994 -8.778 639 1HG GLN 88 2HG GLN 88 5.040 -8.029 -5.911 640 2HG GLN 88 1HG GLN 88 3.722 -8.692 -6.877 641 1HE2 GLN 88 1HE2 GLN 88 5.292 -10.793 -8.172 642 2HE2 GLN 88 2HE2 GLN 88 5.669 -11.941 -6.981 643 H SER 89 H SER 89 7.878 -10.758 -8.074 644 HA SER 89 HA SER 89 9.362 -10.189 -10.576 645 1HB SER 89 2HB SER 89 9.049 -12.766 -9.025 646 2HB SER 89 1HB SER 89 10.332 -12.356 -10.158 647 HG SER 89 HG SER 89 10.025 -11.710 -7.513 648 H THR 90 H THR 90 7.903 -10.096 -12.306 649 HA THR 90 HA THR 90 5.470 -11.553 -12.539 650 HB THR 90 HB THR 90 6.842 -11.086 -15.068 651 HG1 THR 90 HG1 THR 90 7.199 -8.887 -14.725 652 1HG2 THR 90 1HG2 THR 90 4.841 -9.145 -14.413 653 2HG2 THR 90 2HG2 THR 90 4.306 -10.728 -13.849 654 3HG2 THR 90 3HG2 THR 90 4.734 -10.495 -15.544 655 H ALA 91 H ALA 91 4.983 -13.551 -13.544 656 HA ALA 91 HA ALA 91 7.051 -15.600 -13.459 657 1HB ALA 91 1HB ALA 91 4.225 -15.659 -14.552 658 2HB ALA 91 2HB ALA 91 4.633 -15.872 -12.851 659 3HB ALA 91 3HB ALA 91 5.179 -17.051 -14.043 660 H ILE 92 H ILE 92 6.174 -17.123 -15.708 661 HA ILE 92 HA ILE 92 7.099 -15.465 -18.023 662 HB ILE 92 HB ILE 92 8.720 -17.095 -18.588 663 1HG1 ILE 92 2HG1 ILE 92 7.142 -19.044 -18.268 664 2HG1 ILE 92 1HG1 ILE 92 8.779 -19.351 -17.694 665 1HG2 ILE 92 1HG2 ILE 92 9.965 -17.515 -16.445 666 2HG2 ILE 92 2HG2 ILE 92 8.566 -16.895 -15.571 667 3HG2 ILE 92 3HG2 ILE 92 9.461 -15.840 -16.665 668 1HD1 ILE 92 1HD1 ILE 92 7.744 -20.018 -15.783 669 2HD1 ILE 92 2HD1 ILE 92 6.258 -19.151 -16.174 670 3HD1 ILE 92 3HD1 ILE 92 7.617 -18.291 -15.452 671 HA PRO 93 HA PRO 93 3.965 -17.574 -20.243 672 1HB PRO 93 2HB PRO 93 5.053 -17.834 -22.726 673 2HB PRO 93 1HB PRO 93 4.545 -16.275 -22.050 674 1HG PRO 93 2HG PRO 93 7.259 -17.357 -22.438 675 2HG PRO 93 1HG PRO 93 6.712 -15.678 -22.355 676 1HD PRO 93 2HD PRO 93 7.972 -17.157 -20.297 677 2HD PRO 93 1HD PRO 93 7.229 -15.551 -20.156 678 H ALA 94 H ALA 94 4.760 -19.541 -18.766 679 HA ALA 94 HA ALA 94 5.911 -21.733 -20.426 680 1HB ALA 94 1HB ALA 94 5.184 -21.934 -17.520 681 2HB ALA 94 2HB ALA 94 6.568 -20.948 -17.990 682 3HB ALA 94 3HB ALA 94 6.538 -22.667 -18.379 Start of MODEL 16 1 1H ASN 1 1H ASN 1 -7.983 13.392 5.919 2 2H ASN 1 2H ASN 1 -7.812 14.995 6.454 3 3H ASN 1 3H ASN 1 -7.480 13.704 7.508 4 HA ASN 1 HA ASN 1 -5.903 14.563 5.145 5 1HB ASN 1 2HB ASN 1 -5.474 15.806 7.153 6 2HB ASN 1 1HB ASN 1 -5.521 14.344 8.139 7 1HD2 ASN 1 1HD2 ASN 1 -3.243 15.485 8.658 8 2HD2 ASN 1 2HD2 ASN 1 -1.938 14.907 7.737 9 H ILE 2 H ILE 2 -4.620 12.999 4.189 10 HA ILE 2 HA ILE 2 -5.088 10.255 4.385 11 HB ILE 2 HB ILE 2 -3.681 11.740 2.758 12 1HG1 ILE 2 2HG1 ILE 2 -2.092 9.346 2.926 13 2HG1 ILE 2 1HG1 ILE 2 -3.771 8.952 3.303 14 1HG2 ILE 2 1HG2 ILE 2 -2.090 12.274 4.770 15 2HG2 ILE 2 2HG2 ILE 2 -1.387 11.986 3.177 16 3HG2 ILE 2 3HG2 ILE 2 -1.371 10.707 4.392 17 1HD1 ILE 2 1HD1 ILE 2 -4.488 9.406 1.190 18 2HD1 ILE 2 2HD1 ILE 2 -2.793 9.174 0.760 19 3HD1 ILE 2 3HD1 ILE 2 -3.420 10.801 1.025 20 H ASP 3 H ASP 3 -3.211 8.651 5.127 21 HA ASP 3 HA ASP 3 -2.157 9.474 7.785 22 1HB ASP 3 2HB ASP 3 -4.325 8.323 8.039 23 2HB ASP 3 1HB ASP 3 -3.703 6.959 7.112 24 H ARG 4 H ARG 4 -2.273 6.412 5.972 25 HA ARG 4 HA ARG 4 0.326 6.388 4.884 26 1HB ARG 4 2HB ARG 4 0.215 6.299 7.774 27 2HB ARG 4 1HB ARG 4 0.947 4.820 7.154 28 1HG ARG 4 2HG ARG 4 2.647 6.016 6.002 29 2HG ARG 4 1HG ARG 4 1.791 7.548 6.173 30 1HD ARG 4 2HD ARG 4 2.881 5.948 8.520 31 2HD ARG 4 1HD ARG 4 3.704 7.339 7.786 32 HE ARG 4 HE ARG 4 1.464 8.576 8.268 33 1HH1 ARG 4 1HH1 ARG 4 3.338 8.408 10.615 34 2HH1 ARG 4 2HH1 ARG 4 2.296 7.805 11.861 35 1HH2 ARG 4 1HH2 ARG 4 -0.161 6.736 9.661 36 2HH2 ARG 4 2HH2 ARG 4 0.316 6.858 11.321 37 HA PRO 5 HA PRO 5 -1.856 2.608 3.858 38 1HB PRO 5 2HB PRO 5 -0.414 2.058 1.608 39 2HB PRO 5 1HB PRO 5 -1.734 3.244 1.643 40 1HG PRO 5 2HG PRO 5 1.204 3.681 1.717 41 2HG PRO 5 1HG PRO 5 -0.060 4.625 0.916 42 1HD PRO 5 2HD PRO 5 1.117 5.349 3.288 43 2HD PRO 5 1HD PRO 5 -0.515 5.854 2.794 44 H LYS 6 H LYS 6 -0.971 0.317 3.332 45 HA LYS 6 HA LYS 6 1.657 -0.577 3.693 46 1HB LYS 6 2HB LYS 6 0.516 0.639 6.059 47 2HB LYS 6 1HB LYS 6 0.872 -1.060 6.373 48 1HG LYS 6 2HG LYS 6 3.081 -0.116 4.923 49 2HG LYS 6 1HG LYS 6 2.709 1.164 6.077 50 1HD LYS 6 2HD LYS 6 3.743 -0.059 7.659 51 2HD LYS 6 1HD LYS 6 2.434 -1.233 7.520 52 1HE LYS 6 2HE LYS 6 3.660 -2.639 6.114 53 2HE LYS 6 1HE LYS 6 4.689 -1.317 5.528 54 1HZ LYS 6 1HZ LYS 6 5.583 -2.950 7.334 55 2HZ LYS 6 2HZ LYS 6 4.684 -1.972 8.393 56 3HZ LYS 6 3HZ LYS 6 5.921 -1.292 7.447 57 H GLY 7 H GLY 7 1.692 -2.848 3.643 58 1HA GLY 7 2HA GLY 7 0.781 -5.035 4.185 59 2HA GLY 7 1HA GLY 7 -0.803 -4.286 4.387 60 H LEU 8 H LEU 8 1.512 -4.016 1.669 61 HA LEU 8 HA LEU 8 -0.631 -4.375 -0.263 62 1HB LEU 8 2HB LEU 8 0.968 -3.140 -1.319 63 2HB LEU 8 1HB LEU 8 2.177 -3.583 -0.118 64 HG LEU 8 HG LEU 8 2.475 -5.767 -1.323 65 1HD1 LEU 8 1HD1 LEU 8 0.412 -4.471 -3.072 66 2HD1 LEU 8 2HD1 LEU 8 0.556 -6.158 -2.579 67 3HD1 LEU 8 3HD1 LEU 8 1.627 -5.507 -3.821 68 1HD2 LEU 8 1HD2 LEU 8 3.947 -3.779 -1.702 69 2HD2 LEU 8 2HD2 LEU 8 2.904 -3.305 -3.043 70 3HD2 LEU 8 3HD2 LEU 8 3.816 -4.812 -3.125 71 H ALA 9 H ALA 9 -1.426 -6.354 -0.882 72 HA ALA 9 HA ALA 9 0.211 -8.793 -0.311 73 1HB ALA 9 1HB ALA 9 -2.228 -9.749 -0.800 74 2HB ALA 9 2HB ALA 9 -2.692 -8.082 -0.454 75 3HB ALA 9 3HB ALA 9 -1.833 -9.029 0.761 76 H PHE 10 H PHE 10 -0.038 -10.588 -1.950 77 HA PHE 10 HA PHE 10 -0.277 -9.495 -4.738 78 1HB PHE 10 2HB PHE 10 1.634 -11.512 -3.522 79 2HB PHE 10 1HB PHE 10 1.541 -11.164 -5.249 80 HD1 PHE 10 HD1 PHE 10 2.223 -9.648 -1.916 81 HD2 PHE 10 HD2 PHE 10 2.571 -9.229 -6.178 82 HE1 PHE 10 HE1 PHE 10 3.710 -7.688 -1.603 83 HE2 PHE 10 HE2 PHE 10 4.060 -7.270 -5.863 84 HZ PHE 10 HZ PHE 10 4.629 -6.499 -3.576 85 H THR 11 H THR 11 -2.334 -10.309 -5.265 86 HA THR 11 HA THR 11 -3.244 -12.957 -4.478 87 HB THR 11 HB THR 11 -4.446 -11.567 -6.804 88 HG1 THR 11 HG1 THR 11 -5.082 -9.815 -5.608 89 1HG2 THR 11 1HG2 THR 11 -6.349 -11.726 -4.895 90 2HG2 THR 11 2HG2 THR 11 -5.261 -12.996 -4.337 91 3HG2 THR 11 3HG2 THR 11 -5.945 -13.070 -5.961 92 H ASP 12 H ASP 12 -2.698 -11.640 -7.767 93 HA ASP 12 HA ASP 12 -1.700 -14.338 -8.580 94 1HB ASP 12 2HB ASP 12 -3.824 -12.582 -9.552 95 2HB ASP 12 1HB ASP 12 -2.711 -13.058 -10.835 96 H VAL 13 H VAL 13 0.445 -14.213 -9.159 97 HA VAL 13 HA VAL 13 1.459 -11.598 -10.210 98 HB VAL 13 HB VAL 13 2.339 -12.451 -8.031 99 1HG1 VAL 13 1HG1 VAL 13 3.956 -14.554 -9.285 100 2HG1 VAL 13 2HG1 VAL 13 2.229 -14.913 -9.291 101 3HG1 VAL 13 3HG1 VAL 13 3.057 -14.584 -7.769 102 1HG2 VAL 13 1HG2 VAL 13 3.934 -11.888 -10.442 103 2HG2 VAL 13 2HG2 VAL 13 4.829 -12.717 -9.169 104 3HG2 VAL 13 3HG2 VAL 13 4.040 -11.177 -8.833 105 H ASP 14 H ASP 14 0.622 -12.415 -12.381 106 HA ASP 14 HA ASP 14 2.010 -14.713 -13.585 107 1HB ASP 14 2HB ASP 14 -0.293 -13.021 -14.048 108 2HB ASP 14 1HB ASP 14 0.670 -13.146 -15.521 109 H VAL 15 H VAL 15 3.462 -14.497 -15.422 110 HA VAL 15 HA VAL 15 5.533 -12.637 -15.250 111 HB VAL 15 HB VAL 15 5.798 -14.600 -16.556 112 1HG1 VAL 15 1HG1 VAL 15 4.286 -14.791 -18.696 113 2HG1 VAL 15 2HG1 VAL 15 3.213 -13.710 -17.808 114 3HG1 VAL 15 3HG1 VAL 15 3.636 -15.283 -17.132 115 1HG2 VAL 15 1HG2 VAL 15 6.853 -12.564 -17.541 116 2HG2 VAL 15 2HG2 VAL 15 5.431 -12.359 -18.561 117 3HG2 VAL 15 3HG2 VAL 15 6.457 -13.781 -18.750 118 H ASP 16 H ASP 16 2.412 -12.312 -16.868 119 HA ASP 16 HA ASP 16 3.090 -9.452 -17.467 120 1HB ASP 16 2HB ASP 16 2.468 -11.671 -19.234 121 2HB ASP 16 1HB ASP 16 1.284 -10.376 -19.419 122 H SER 17 H SER 17 1.670 -10.437 -15.171 123 HA SER 17 HA SER 17 -0.729 -8.851 -15.304 124 1HB SER 17 2HB SER 17 -1.432 -10.756 -16.687 125 2HB SER 17 1HB SER 17 -0.985 -11.872 -15.398 126 HG SER 17 HG SER 17 -2.522 -10.583 -14.092 127 H ILE 18 H ILE 18 -0.126 -8.031 -13.278 128 HA ILE 18 HA ILE 18 0.069 -10.023 -11.052 129 HB ILE 18 HB ILE 18 1.376 -7.367 -11.617 130 1HG1 ILE 18 2HG1 ILE 18 2.649 -9.919 -10.643 131 2HG1 ILE 18 1HG1 ILE 18 2.254 -9.712 -12.349 132 1HG2 ILE 18 1HG2 ILE 18 0.945 -8.770 -8.990 133 2HG2 ILE 18 2HG2 ILE 18 0.856 -7.046 -9.356 134 3HG2 ILE 18 3HG2 ILE 18 2.424 -7.847 -9.259 135 1HD1 ILE 18 1HD1 ILE 18 3.982 -8.297 -12.675 136 2HD1 ILE 18 2HD1 ILE 18 4.573 -8.824 -11.099 137 3HD1 ILE 18 3HD1 ILE 18 3.587 -7.367 -11.230 138 H LYS 19 H LYS 19 -1.630 -9.951 -9.661 139 HA LYS 19 HA LYS 19 -3.366 -7.522 -9.596 140 1HB LYS 19 2HB LYS 19 -3.769 -10.322 -9.630 141 2HB LYS 19 1HB LYS 19 -4.247 -9.784 -8.018 142 1HG LYS 19 2HG LYS 19 -6.196 -9.104 -8.919 143 2HG LYS 19 1HG LYS 19 -5.284 -7.846 -9.756 144 1HD LYS 19 2HD LYS 19 -6.268 -8.907 -11.567 145 2HD LYS 19 1HD LYS 19 -4.761 -9.818 -11.451 146 1HE LYS 19 2HE LYS 19 -5.806 -11.707 -10.601 147 2HE LYS 19 1HE LYS 19 -7.108 -10.768 -9.844 148 1HZ LYS 19 1HZ LYS 19 -6.707 -11.182 -12.758 149 2HZ LYS 19 2HZ LYS 19 -7.894 -10.176 -12.077 150 3HZ LYS 19 3HZ LYS 19 -7.944 -11.855 -11.815 151 H ILE 20 H ILE 20 -2.737 -6.083 -8.006 152 HA ILE 20 HA ILE 20 -1.681 -7.244 -5.446 153 HB ILE 20 HB ILE 20 -0.388 -5.193 -5.282 154 1HG1 ILE 20 2HG1 ILE 20 -1.749 -4.326 -7.852 155 2HG1 ILE 20 1HG1 ILE 20 -2.210 -3.740 -6.253 156 1HG2 ILE 20 1HG2 ILE 20 0.282 -5.431 -8.036 157 2HG2 ILE 20 2HG2 ILE 20 -0.224 -7.029 -7.487 158 3HG2 ILE 20 3HG2 ILE 20 1.087 -6.187 -6.661 159 1HD1 ILE 20 1HD1 ILE 20 0.372 -3.215 -6.044 160 2HD1 ILE 20 2HD1 ILE 20 -0.696 -2.095 -6.889 161 3HD1 ILE 20 3HD1 ILE 20 0.303 -3.224 -7.806 162 H ALA 21 H ALA 21 -2.375 -6.282 -3.471 163 HA ALA 21 HA ALA 21 -4.800 -4.529 -3.667 164 1HB ALA 21 1HB ALA 21 -5.496 -6.786 -3.161 165 2HB ALA 21 2HB ALA 21 -5.581 -5.875 -1.653 166 3HB ALA 21 3HB ALA 21 -4.224 -6.961 -1.953 167 H TRP 22 H TRP 22 -3.846 -2.589 -2.989 168 HA TRP 22 HA TRP 22 -1.942 -2.579 -0.732 169 1HB TRP 22 2HB TRP 22 -1.839 -0.163 -1.311 170 2HB TRP 22 1HB TRP 22 -1.612 -1.183 -2.733 171 HD1 TRP 22 HD1 TRP 22 -4.612 0.455 -0.904 172 HE1 TRP 22 HE1 TRP 22 -6.251 1.331 -2.693 173 HE3 TRP 22 HE3 TRP 22 -2.170 -1.028 -5.135 174 HZ2 TRP 22 HZ2 TRP 22 -6.489 1.397 -5.537 175 HZ3 TRP 22 HZ3 TRP 22 -3.126 -0.542 -7.374 176 HH2 TRP 22 HH2 TRP 22 -5.284 0.667 -7.576 177 H GLU 23 H GLU 23 -2.360 -1.446 1.255 178 HA GLU 23 HA GLU 23 -5.114 -1.619 2.196 179 1HB GLU 23 2HB GLU 23 -2.998 -2.116 3.486 180 2HB GLU 23 1HB GLU 23 -2.672 -0.386 3.495 181 1HG GLU 23 2HG GLU 23 -5.387 -0.851 4.332 182 2HG GLU 23 1HG GLU 23 -4.290 -1.830 5.307 183 H SER 24 H SER 24 -6.566 0.071 2.458 184 HA SER 24 HA SER 24 -5.926 2.650 1.190 185 1HB SER 24 2HB SER 24 -8.151 1.027 1.484 186 2HB SER 24 1HB SER 24 -8.484 2.350 2.598 187 HG SER 24 HG SER 24 -7.936 2.450 -0.182 188 HA PRO 25 HA PRO 25 -5.109 4.839 4.900 189 1HB PRO 25 2HB PRO 25 -6.058 7.314 4.246 190 2HB PRO 25 1HB PRO 25 -4.551 6.644 3.585 191 1HG PRO 25 2HG PRO 25 -7.239 6.845 2.334 192 2HG PRO 25 1HG PRO 25 -5.635 7.021 1.611 193 1HD PRO 25 2HD PRO 25 -7.176 4.762 1.382 194 2HD PRO 25 1HD PRO 25 -5.403 4.778 1.254 195 H GLN 26 H GLN 26 -6.562 6.872 6.073 196 HA GLN 26 HA GLN 26 -9.041 5.433 6.897 197 1HB GLN 26 2HB GLN 26 -7.176 7.443 8.145 198 2HB GLN 26 1HB GLN 26 -8.737 7.057 8.869 199 1HG GLN 26 2HG GLN 26 -7.994 4.584 8.661 200 2HG GLN 26 1HG GLN 26 -6.372 5.242 8.436 201 1HE2 GLN 26 1HE2 GLN 26 -7.767 3.766 10.802 202 2HE2 GLN 26 2HE2 GLN 26 -7.397 4.742 12.140 203 H GLY 27 H GLY 27 -7.898 8.771 6.361 204 1HA GLY 27 2HA GLY 27 -10.356 10.101 6.500 205 2HA GLY 27 1HA GLY 27 -9.029 10.624 5.460 206 H GLN 28 H GLN 28 -9.045 10.024 3.274 207 HA GLN 28 HA GLN 28 -10.781 8.163 2.021 208 1HB GLN 28 2HB GLN 28 -12.627 9.417 2.868 209 2HB GLN 28 1HB GLN 28 -11.860 10.953 2.461 210 1HG GLN 28 2HG GLN 28 -13.530 10.554 0.781 211 2HG GLN 28 1HG GLN 28 -11.968 10.234 0.027 212 1HE2 GLN 28 1HE2 GLN 28 -15.049 8.870 0.674 213 2HE2 GLN 28 2HE2 GLN 28 -14.680 7.265 0.260 214 H VAL 29 H VAL 29 -9.178 7.914 0.478 215 HA VAL 29 HA VAL 29 -7.716 10.085 -0.726 216 HB VAL 29 HB VAL 29 -8.151 7.152 -1.264 217 1HG1 VAL 29 1HG1 VAL 29 -6.570 9.131 -2.927 218 2HG1 VAL 29 2HG1 VAL 29 -7.850 8.050 -3.476 219 3HG1 VAL 29 3HG1 VAL 29 -6.293 7.389 -2.978 220 1HG2 VAL 29 1HG2 VAL 29 -6.585 8.437 0.528 221 2HG2 VAL 29 2HG2 VAL 29 -5.483 8.391 -0.848 222 3HG2 VAL 29 3HG2 VAL 29 -6.141 6.891 -0.195 223 H SER 30 H SER 30 -8.379 11.421 -2.351 224 HA SER 30 HA SER 30 -10.916 10.840 -3.765 225 1HB SER 30 2HB SER 30 -10.252 13.064 -2.715 226 2HB SER 30 1HB SER 30 -9.045 13.215 -3.988 227 HG SER 30 HG SER 30 -10.778 14.169 -4.858 228 H ARG 31 H ARG 31 -7.542 10.484 -4.209 229 HA ARG 31 HA ARG 31 -7.949 9.664 -7.034 230 1HB ARG 31 2HB ARG 31 -6.692 12.110 -6.102 231 2HB ARG 31 1HB ARG 31 -5.547 11.121 -7.007 232 1HG ARG 31 2HG ARG 31 -6.543 11.661 -8.951 233 2HG ARG 31 1HG ARG 31 -8.104 11.104 -8.343 234 1HD ARG 31 2HD ARG 31 -8.813 13.235 -8.026 235 2HD ARG 31 1HD ARG 31 -7.338 13.646 -7.129 236 HE ARG 31 HE ARG 31 -6.313 13.610 -9.590 237 1HH1 ARG 31 1HH2 ARG 31 -8.541 15.590 -8.070 238 2HH1 ARG 31 2HH2 ARG 31 -9.056 16.417 -9.502 239 1HH2 ARG 31 1HH1 ARG 31 -7.334 14.317 -11.655 240 2HH2 ARG 31 2HH1 ARG 31 -8.373 15.696 -11.530 241 H TYR 32 H TYR 32 -6.356 8.113 -7.692 242 HA TYR 32 HA TYR 32 -4.411 7.296 -5.565 243 1HB TYR 32 2HB TYR 32 -6.729 5.986 -6.181 244 2HB TYR 32 1HB TYR 32 -5.588 5.182 -7.263 245 HD1 TYR 32 HD1 TYR 32 -3.088 5.156 -5.852 246 HD2 TYR 32 HD2 TYR 32 -7.056 4.633 -4.291 247 HE1 TYR 32 HE1 TYR 32 -2.166 3.880 -3.935 248 HE2 TYR 32 HE2 TYR 32 -6.134 3.354 -2.377 249 HH TYR 32 HH TYR 32 -3.237 3.454 -1.326 250 H ARG 33 H ARG 33 -2.471 7.826 -6.515 251 HA ARG 33 HA ARG 33 -2.083 7.445 -9.421 252 1HB ARG 33 2HB ARG 33 -0.997 9.021 -7.239 253 2HB ARG 33 1HB ARG 33 0.300 8.239 -8.147 254 1HG ARG 33 2HG ARG 33 -0.608 9.137 -10.249 255 2HG ARG 33 1HG ARG 33 -1.930 9.899 -9.362 256 1HD ARG 33 2HD ARG 33 -0.268 11.247 -8.079 257 2HD ARG 33 1HD ARG 33 1.027 10.528 -9.056 258 HE ARG 33 HE ARG 33 0.237 11.746 -10.954 259 1HH1 ARG 33 1HH2 ARG 33 -0.284 13.896 -8.910 260 2HH1 ARG 33 2HH2 ARG 33 -1.922 14.336 -9.267 261 1HH2 ARG 33 1HH1 ARG 33 -2.560 11.485 -11.133 262 2HH2 ARG 33 2HH1 ARG 33 -3.210 12.971 -10.524 263 H VAL 34 H VAL 34 -1.978 5.158 -9.691 264 HA VAL 34 HA VAL 34 -0.134 3.570 -8.017 265 HB VAL 34 HB VAL 34 -1.831 2.914 -10.449 266 1HG1 VAL 34 1HG1 VAL 34 -1.187 0.782 -8.538 267 2HG1 VAL 34 2HG1 VAL 34 0.236 1.434 -9.349 268 3HG1 VAL 34 3HG1 VAL 34 -1.095 0.775 -10.300 269 1HG2 VAL 34 1HG2 VAL 34 -3.097 1.739 -8.394 270 2HG2 VAL 34 2HG2 VAL 34 -3.439 3.404 -8.866 271 3HG2 VAL 34 3HG2 VAL 34 -2.355 3.074 -7.513 272 H THR 35 H THR 35 1.953 4.388 -8.564 273 HA THR 35 HA THR 35 2.746 4.493 -11.409 274 HB THR 35 HB THR 35 4.945 5.050 -9.826 275 HG1 THR 35 HG1 THR 35 4.264 5.631 -7.939 276 1HG2 THR 35 1HG2 THR 35 2.723 6.847 -10.829 277 2HG2 THR 35 2HG2 THR 35 4.219 6.434 -11.668 278 3HG2 THR 35 3HG2 THR 35 4.268 7.443 -10.223 279 H TYR 36 H TYR 36 4.095 3.026 -12.376 280 HA TYR 36 HA TYR 36 5.336 0.906 -10.677 281 1HB TYR 36 2HB TYR 36 4.726 -0.520 -12.873 282 2HB TYR 36 1HB TYR 36 3.591 -0.350 -11.539 283 HD1 TYR 36 HD1 TYR 36 4.332 0.525 -15.002 284 HD2 TYR 36 HD2 TYR 36 1.725 1.294 -11.677 285 HE1 TYR 36 HE1 TYR 36 2.694 1.583 -16.533 286 HE2 TYR 36 HE2 TYR 36 0.087 2.355 -13.207 287 HH TYR 36 HH TYR 36 0.758 2.660 -16.696 288 H SER 37 H SER 37 7.489 0.781 -11.084 289 HA SER 37 HA SER 37 8.481 2.007 -13.628 290 1HB SER 37 2HB SER 37 10.112 2.943 -12.347 291 2HB SER 37 1HB SER 37 9.019 2.584 -11.014 292 HG SER 37 HG SER 37 11.324 1.234 -11.883 293 H SER 38 H SER 38 10.180 0.967 -14.770 294 HA SER 38 HA SER 38 10.766 -1.867 -14.028 295 1HB SER 38 2HB SER 38 9.123 -0.873 -16.150 296 2HB SER 38 1HB SER 38 10.571 -1.571 -16.872 297 HG SER 38 HG SER 38 10.156 -3.469 -15.704 298 HA PRO 39 HA PRO 39 14.802 -0.190 -14.835 299 1HB PRO 39 2HB PRO 39 16.199 -2.516 -14.470 300 2HB PRO 39 1HB PRO 39 15.573 -1.539 -13.127 301 1HG PRO 39 2HG PRO 39 14.463 -4.026 -14.332 302 2HG PRO 39 1HG PRO 39 14.521 -3.522 -12.635 303 1HD PRO 39 2HD PRO 39 12.278 -3.340 -14.182 304 2HD PRO 39 1HD PRO 39 12.612 -2.262 -12.808 305 H GLU 40 H GLU 40 13.577 -0.293 -17.171 306 HA GLU 40 HA GLU 40 15.541 -1.325 -19.035 307 1HB GLU 40 2HB GLU 40 13.177 -2.943 -18.259 308 2HB GLU 40 1HB GLU 40 13.503 -2.853 -19.990 309 1HG GLU 40 2HG GLU 40 16.016 -3.276 -19.037 310 2HG GLU 40 1HG GLU 40 15.064 -4.159 -17.844 311 H ASP 41 H ASP 41 11.969 -0.925 -19.061 312 HA ASP 41 HA ASP 41 12.184 0.760 -21.484 313 1HB ASP 41 2HB ASP 41 10.483 -1.150 -20.874 314 2HB ASP 41 1HB ASP 41 9.663 0.128 -19.975 315 H GLY 42 H GLY 42 11.279 1.032 -18.074 316 1HA GLY 42 2HA GLY 42 11.991 3.403 -17.246 317 2HA GLY 42 1HA GLY 42 10.828 3.952 -18.453 318 H ILE 43 H ILE 43 9.520 4.914 -16.757 319 HA ILE 43 HA ILE 43 7.987 2.886 -15.172 320 HB ILE 43 HB ILE 43 9.622 4.245 -13.868 321 1HG1 ILE 43 2HG1 ILE 43 6.702 4.897 -13.330 322 2HG1 ILE 43 1HG1 ILE 43 7.531 3.431 -12.811 323 1HG2 ILE 43 1HG2 ILE 43 7.847 6.576 -14.645 324 2HG2 ILE 43 2HG2 ILE 43 9.416 6.251 -15.384 325 3HG2 ILE 43 3HG2 ILE 43 9.314 6.636 -13.666 326 1HD1 ILE 43 1HD1 ILE 43 7.326 5.385 -11.110 327 2HD1 ILE 43 2HD1 ILE 43 8.600 6.146 -12.063 328 3HD1 ILE 43 3HD1 ILE 43 8.892 4.593 -11.281 329 H HIS 44 H HIS 44 5.793 3.606 -14.598 330 HA HIS 44 HA HIS 44 4.647 5.823 -16.208 331 1HB HIS 44 2HB HIS 44 4.549 3.033 -16.892 332 2HB HIS 44 1HB HIS 44 2.924 3.570 -16.467 333 HD1 HIS 44 HD1 HIS 44 5.633 5.615 -18.177 334 HD2 HIS 44 HD2 HIS 44 1.850 4.060 -18.987 335 HE1 HIS 44 HE1 HIS 44 4.938 6.551 -20.428 336 H GLU 45 H GLU 45 1.990 5.452 -15.655 337 HA GLU 45 HA GLU 45 1.639 4.671 -12.844 338 1HB GLU 45 2HB GLU 45 1.137 6.935 -12.087 339 2HB GLU 45 1HB GLU 45 2.746 6.905 -12.807 340 1HG GLU 45 2HG GLU 45 0.419 7.513 -14.590 341 2HG GLU 45 1HG GLU 45 0.979 8.775 -13.492 342 H LEU 46 H LEU 46 -0.575 4.702 -12.187 343 HA LEU 46 HA LEU 46 -2.507 4.816 -14.466 344 1HB LEU 46 2HB LEU 46 -1.910 2.831 -12.666 345 2HB LEU 46 1HB LEU 46 -3.263 3.625 -11.859 346 HG LEU 46 HG LEU 46 -4.633 3.378 -13.890 347 1HD1 LEU 46 1HD1 LEU 46 -3.436 3.298 -15.813 348 2HD1 LEU 46 2HD1 LEU 46 -3.338 1.567 -15.489 349 3HD1 LEU 46 3HD1 LEU 46 -2.016 2.631 -15.007 350 1HD2 LEU 46 1HD2 LEU 46 -4.683 0.832 -13.924 351 2HD2 LEU 46 2HD2 LEU 46 -4.817 1.568 -12.327 352 3HD2 LEU 46 3HD2 LEU 46 -3.282 0.876 -12.852 353 H PHE 47 H PHE 47 -3.865 6.587 -14.438 354 HA PHE 47 HA PHE 47 -4.255 7.976 -11.805 355 1HB PHE 47 2HB PHE 47 -4.729 9.960 -13.360 356 2HB PHE 47 1HB PHE 47 -3.069 9.367 -13.340 357 HD1 PHE 47 HD1 PHE 47 -6.266 9.299 -15.236 358 HD2 PHE 47 HD2 PHE 47 -2.068 8.381 -15.278 359 HE1 PHE 47 HE1 PHE 47 -6.382 8.874 -17.677 360 HE2 PHE 47 HE2 PHE 47 -2.186 7.955 -17.718 361 HZ PHE 47 HZ PHE 47 -4.344 8.200 -18.918 362 HA PRO 48 HA PRO 48 -8.424 6.716 -13.712 363 1HB PRO 48 2HB PRO 48 -8.953 4.332 -12.496 364 2HB PRO 48 1HB PRO 48 -8.127 4.444 -14.063 365 1HG PRO 48 2HG PRO 48 -7.001 3.935 -11.364 366 2HG PRO 48 1HG PRO 48 -6.503 3.297 -12.938 367 1HD PRO 48 2HD PRO 48 -5.219 5.341 -11.598 368 2HD PRO 48 1HD PRO 48 -5.122 5.046 -13.344 369 H ALA 49 H ALA 49 -8.498 8.584 -12.057 370 HA ALA 49 HA ALA 49 -8.771 8.506 -9.336 371 1HB ALA 49 1HB ALA 49 -9.119 10.430 -10.887 372 2HB ALA 49 2HB ALA 49 -10.362 10.335 -9.642 373 3HB ALA 49 3HB ALA 49 -10.712 9.786 -11.280 374 HA PRO 50 HA PRO 50 -11.929 5.235 -9.214 375 1HB PRO 50 2HB PRO 50 -11.331 4.445 -6.665 376 2HB PRO 50 1HB PRO 50 -10.428 3.887 -8.089 377 1HG PRO 50 2HG PRO 50 -9.725 6.010 -6.119 378 2HG PRO 50 1HG PRO 50 -8.688 4.803 -6.898 379 1HD PRO 50 2HD PRO 50 -8.807 7.407 -7.699 380 2HD PRO 50 1HD PRO 50 -8.419 6.063 -8.795 381 H ASP 51 H ASP 51 -13.344 4.784 -6.955 382 HA ASP 51 HA ASP 51 -14.517 7.467 -6.339 383 1HB ASP 51 2HB ASP 51 -15.938 5.971 -7.611 384 2HB ASP 51 1HB ASP 51 -15.641 4.660 -6.468 385 H GLY 52 H GLY 52 -12.272 6.067 -4.859 386 1HA GLY 52 2HA GLY 52 -11.661 5.863 -2.595 387 2HA GLY 52 1HA GLY 52 -13.229 6.563 -2.180 388 H GLU 53 H GLU 53 -13.420 3.855 -4.252 389 HA GLU 53 HA GLU 53 -14.112 2.102 -1.932 390 1HB GLU 53 2HB GLU 53 -15.397 2.583 -4.622 391 2HB GLU 53 1HB GLU 53 -15.752 1.134 -3.683 392 1HG GLU 53 2HG GLU 53 -16.113 2.929 -1.738 393 2HG GLU 53 1HG GLU 53 -16.456 3.979 -3.115 394 H GLU 54 H GLU 54 -11.734 2.513 -4.058 395 HA GLU 54 HA GLU 54 -11.516 -0.386 -4.802 396 1HB GLU 54 2HB GLU 54 -10.889 2.208 -6.087 397 2HB GLU 54 1HB GLU 54 -9.679 0.946 -6.319 398 1HG GLU 54 2HG GLU 54 -11.439 0.940 -8.096 399 2HG GLU 54 1HG GLU 54 -11.366 -0.575 -7.196 400 H ASP 55 H ASP 55 -10.002 -1.502 -3.644 401 HA ASP 55 HA ASP 55 -7.777 0.043 -2.352 402 1HB ASP 55 2HB ASP 55 -9.461 -2.328 -1.578 403 2HB ASP 55 1HB ASP 55 -7.868 -2.112 -0.852 404 H THR 56 H THR 56 -8.504 -2.200 -4.782 405 HA THR 56 HA THR 56 -5.688 -3.246 -4.749 406 HB THR 56 HB THR 56 -6.685 -5.300 -5.749 407 HG1 THR 56 HG1 THR 56 -9.161 -4.089 -5.111 408 1HG2 THR 56 1HG2 THR 56 -8.326 -4.814 -3.315 409 2HG2 THR 56 2HG2 THR 56 -6.581 -4.631 -3.156 410 3HG2 THR 56 3HG2 THR 56 -7.260 -6.163 -3.701 411 H ALA 57 H ALA 57 -5.315 -4.221 -7.164 412 HA ALA 57 HA ALA 57 -6.554 -2.589 -9.277 413 1HB ALA 57 1HB ALA 57 -5.023 -0.971 -8.448 414 2HB ALA 57 2HB ALA 57 -4.212 -1.672 -9.849 415 3HB ALA 57 3HB ALA 57 -3.756 -2.177 -8.221 416 H GLU 58 H GLU 58 -6.177 -3.479 -11.340 417 HA GLU 58 HA GLU 58 -4.778 -6.117 -11.380 418 1HB GLU 58 2HB GLU 58 -6.775 -4.772 -13.228 419 2HB GLU 58 1HB GLU 58 -6.138 -6.400 -13.458 420 1HG GLU 58 2HG GLU 58 -6.971 -6.848 -11.048 421 2HG GLU 58 1HG GLU 58 -7.929 -5.382 -11.259 422 H LEU 59 H LEU 59 -2.599 -5.268 -11.632 423 HA LEU 59 HA LEU 59 -1.954 -3.463 -13.841 424 1HB LEU 59 2HB LEU 59 -0.342 -5.159 -11.904 425 2HB LEU 59 1HB LEU 59 0.391 -4.053 -13.068 426 HG LEU 59 HG LEU 59 -1.413 -3.378 -10.733 427 1HD1 LEU 59 1HD1 LEU 59 0.601 -1.617 -10.653 428 2HD1 LEU 59 2HD1 LEU 59 1.416 -2.902 -11.540 429 3HD1 LEU 59 3HD1 LEU 59 0.746 -3.224 -9.941 430 1HD2 LEU 59 1HD2 LEU 59 -0.735 -1.749 -13.191 431 2HD2 LEU 59 2HD2 LEU 59 -1.190 -0.988 -11.666 432 3HD2 LEU 59 3HD2 LEU 59 -2.326 -2.055 -12.493 433 H GLN 60 H GLN 60 -3.184 -5.047 -15.318 434 HA GLN 60 HA GLN 60 -1.721 -7.498 -16.028 435 1HB GLN 60 2HB GLN 60 -4.124 -6.217 -17.336 436 2HB GLN 60 1HB GLN 60 -3.672 -7.920 -17.355 437 1HG GLN 60 2HG GLN 60 -4.180 -8.183 -15.028 438 2HG GLN 60 1HG GLN 60 -4.313 -6.440 -14.792 439 1HE2 GLN 60 1HE2 GLN 60 -6.199 -5.341 -15.843 440 2HE2 GLN 60 2HE2 GLN 60 -7.604 -6.233 -16.176 441 H GLY 61 H GLY 61 -0.005 -7.362 -17.413 442 1HA GLY 61 2HA GLY 61 0.623 -6.944 -19.793 443 2HA GLY 61 1HA GLY 61 -0.162 -5.372 -19.642 444 H LEU 62 H LEU 62 2.531 -7.281 -18.250 445 HA LEU 62 HA LEU 62 4.010 -4.688 -17.892 446 1HB LEU 62 2HB LEU 62 4.410 -7.136 -16.181 447 2HB LEU 62 1HB LEU 62 4.753 -5.453 -15.789 448 HG LEU 62 HG LEU 62 1.975 -6.608 -16.176 449 1HD1 LEU 62 1HD1 LEU 62 3.738 -6.220 -13.796 450 2HD1 LEU 62 2HD1 LEU 62 2.559 -7.491 -14.125 451 3HD1 LEU 62 3HD1 LEU 62 2.015 -5.894 -13.610 452 1HD2 LEU 62 1HD2 LEU 62 1.355 -4.443 -16.352 453 2HD2 LEU 62 2HD2 LEU 62 3.020 -3.910 -16.110 454 3HD2 LEU 62 3HD2 LEU 62 1.969 -4.176 -14.719 455 H ARG 63 H ARG 63 6.444 -5.979 -17.078 456 HA ARG 63 HA ARG 63 7.484 -6.802 -19.705 457 1HB ARG 63 2HB ARG 63 8.440 -5.824 -17.106 458 2HB ARG 63 1HB ARG 63 9.497 -7.043 -17.818 459 1HG ARG 63 2HG ARG 63 10.328 -5.083 -18.779 460 2HG ARG 63 1HG ARG 63 9.191 -5.632 -20.011 461 1HD ARG 63 2HD ARG 63 8.093 -3.877 -17.853 462 2HD ARG 63 1HD ARG 63 9.124 -3.115 -19.083 463 HE ARG 63 HE ARG 63 7.279 -4.897 -20.363 464 1HH1 ARG 63 1HH1 ARG 63 8.020 -1.681 -19.757 465 2HH1 ARG 63 2HH1 ARG 63 6.443 -1.064 -20.125 466 1HH2 ARG 63 1HH2 ARG 63 4.989 -4.201 -20.397 467 2HH2 ARG 63 2HH2 ARG 63 4.727 -2.491 -20.488 468 HA PRO 64 HA PRO 64 7.230 -11.101 -18.751 469 1HB PRO 64 2HB PRO 64 8.718 -12.039 -20.834 470 2HB PRO 64 1HB PRO 64 7.069 -11.413 -21.027 471 1HG PRO 64 2HG PRO 64 9.649 -10.165 -21.738 472 2HG PRO 64 1HG PRO 64 8.045 -9.931 -22.447 473 1HD PRO 64 2HD PRO 64 9.345 -8.212 -20.626 474 2HD PRO 64 1HD PRO 64 7.643 -8.133 -21.131 475 H GLY 65 H GLY 65 8.419 -11.752 -16.964 476 1HA GLY 65 2HA GLY 65 10.240 -12.646 -15.779 477 2HA GLY 65 1HA GLY 65 11.118 -12.707 -17.308 478 H SER 66 H SER 66 9.915 -10.214 -15.023 479 HA SER 66 HA SER 66 12.632 -9.044 -14.932 480 1HB SER 66 2HB SER 66 11.988 -6.983 -15.922 481 2HB SER 66 1HB SER 66 11.281 -8.209 -16.969 482 HG SER 66 HG SER 66 10.083 -6.395 -15.252 483 H GLU 67 H GLU 67 12.923 -7.756 -13.067 484 HA GLU 67 HA GLU 67 11.162 -8.199 -10.842 485 1HB GLU 67 2HB GLU 67 13.706 -7.596 -11.046 486 2HB GLU 67 1HB GLU 67 13.130 -5.930 -11.064 487 1HG GLU 67 2HG GLU 67 12.870 -5.972 -8.830 488 2HG GLU 67 1HG GLU 67 11.765 -7.341 -8.974 489 H TYR 68 H TYR 68 9.063 -7.425 -11.330 490 HA TYR 68 HA TYR 68 8.526 -4.847 -12.494 491 1HB TYR 68 2HB TYR 68 7.112 -7.004 -12.307 492 2HB TYR 68 1HB TYR 68 6.705 -6.434 -10.688 493 HD1 TYR 68 HD1 TYR 68 4.761 -5.223 -10.496 494 HD2 TYR 68 HD2 TYR 68 6.995 -4.993 -14.153 495 HE1 TYR 68 HE1 TYR 68 3.059 -3.700 -11.437 496 HE2 TYR 68 HE2 TYR 68 5.283 -3.464 -15.101 497 HH TYR 68 HH TYR 68 2.297 -2.744 -13.344 498 H THR 69 H THR 69 9.154 -2.991 -11.432 499 HA THR 69 HA THR 69 9.004 -2.867 -8.465 500 HB THR 69 HB THR 69 9.899 -0.605 -10.201 501 HG1 THR 69 HG1 THR 69 11.338 -1.759 -11.164 502 1HG2 THR 69 1HG2 THR 69 11.811 -1.340 -8.273 503 2HG2 THR 69 2HG2 THR 69 10.245 -1.565 -7.497 504 3HG2 THR 69 3HG2 THR 69 10.673 0.003 -8.182 505 H VAL 70 H VAL 70 6.926 -2.375 -7.798 506 HA VAL 70 HA VAL 70 5.418 -0.314 -9.337 507 HB VAL 70 HB VAL 70 4.478 -2.288 -7.253 508 1HG1 VAL 70 1HG1 VAL 70 2.938 -0.439 -7.563 509 2HG1 VAL 70 2HG1 VAL 70 2.275 -1.849 -8.389 510 3HG1 VAL 70 3HG1 VAL 70 3.065 -0.574 -9.317 511 1HG2 VAL 70 1HG2 VAL 70 5.087 -2.545 -10.150 512 2HG2 VAL 70 2HG2 VAL 70 3.550 -3.232 -9.625 513 3HG2 VAL 70 3HG2 VAL 70 5.058 -3.782 -8.894 514 H SER 71 H SER 71 4.444 1.443 -8.214 515 HA SER 71 HA SER 71 5.326 1.845 -5.376 516 1HB SER 71 2HB SER 71 6.878 3.066 -6.703 517 2HB SER 71 1HB SER 71 5.624 3.612 -7.810 518 HG SER 71 HG SER 71 6.501 5.015 -5.932 519 H VAL 72 H VAL 72 3.095 1.372 -4.758 520 HA VAL 72 HA VAL 72 0.834 2.775 -5.890 521 HB VAL 72 HB VAL 72 1.299 1.335 -3.262 522 1HG1 VAL 72 1HG1 VAL 72 -1.300 2.095 -4.631 523 2HG1 VAL 72 2HG1 VAL 72 -0.656 2.863 -3.179 524 3HG1 VAL 72 3HG1 VAL 72 -1.147 1.168 -3.138 525 1HG2 VAL 72 1HG2 VAL 72 0.293 -0.569 -4.388 526 2HG2 VAL 72 2HG2 VAL 72 1.625 0.022 -5.383 527 3HG2 VAL 72 3HG2 VAL 72 -0.040 0.405 -5.820 528 H VAL 73 H VAL 73 0.274 4.880 -5.521 529 HA VAL 73 HA VAL 73 1.212 6.172 -2.980 530 HB VAL 73 HB VAL 73 1.031 7.327 -5.780 531 1HG1 VAL 73 1HG1 VAL 73 0.692 8.861 -3.730 532 2HG1 VAL 73 2HG1 VAL 73 1.938 9.325 -4.889 533 3HG1 VAL 73 3HG1 VAL 73 2.390 8.544 -3.374 534 1HG2 VAL 73 1HG2 VAL 73 3.662 7.433 -4.955 535 2HG2 VAL 73 2HG2 VAL 73 2.990 6.213 -6.036 536 3HG2 VAL 73 3HG2 VAL 73 3.126 5.881 -4.309 537 H ALA 74 H ALA 74 -0.592 6.634 -1.793 538 HA ALA 74 HA ALA 74 -3.235 6.948 -3.046 539 1HB ALA 74 1HB ALA 74 -2.583 7.547 -0.176 540 2HB ALA 74 2HB ALA 74 -2.455 5.886 -0.755 541 3HB ALA 74 3HB ALA 74 -3.998 6.736 -0.845 542 H LEU 75 H LEU 75 -4.489 8.924 -2.953 543 HA LEU 75 HA LEU 75 -2.874 11.388 -2.382 544 1HB LEU 75 2HB LEU 75 -4.880 10.920 -4.605 545 2HB LEU 75 1HB LEU 75 -3.903 12.369 -4.369 546 HG LEU 75 HG LEU 75 -2.667 9.638 -4.719 547 1HD1 LEU 75 1HD1 LEU 75 -3.895 9.973 -6.746 548 2HD1 LEU 75 2HD1 LEU 75 -2.240 10.469 -7.100 549 3HD1 LEU 75 3HD1 LEU 75 -3.479 11.686 -6.794 550 1HD2 LEU 75 1HD2 LEU 75 -1.632 12.466 -5.102 551 2HD2 LEU 75 2HD2 LEU 75 -0.692 10.990 -5.313 552 3HD2 LEU 75 3HD2 LEU 75 -1.289 11.435 -3.714 553 H HIS 76 H HIS 76 -4.133 13.242 -1.752 554 HA HIS 76 HA HIS 76 -6.938 12.674 -0.863 555 1HB HIS 76 2HB HIS 76 -5.533 12.382 1.072 556 2HB HIS 76 1HB HIS 76 -4.591 13.820 0.676 557 HD1 HIS 76 HD1 HIS 76 -5.412 14.434 3.248 558 HD2 HIS 76 HD2 HIS 76 -8.293 14.603 0.241 559 HE1 HIS 76 HE1 HIS 76 -7.319 15.834 4.159 560 H ASP 77 H ASP 77 -7.523 13.973 -2.775 561 HA ASP 77 HA ASP 77 -8.321 16.057 -3.620 562 1HB ASP 77 2HB ASP 77 -7.990 16.517 -0.962 563 2HB ASP 77 1HB ASP 77 -6.783 17.626 -1.613 564 H ASP 78 H ASP 78 -4.963 16.243 -2.356 565 HA ASP 78 HA ASP 78 -3.728 16.385 -4.924 566 1HB ASP 78 2HB ASP 78 -5.052 18.762 -3.963 567 2HB ASP 78 1HB ASP 78 -3.318 19.062 -4.088 568 H MET 79 H MET 79 -2.875 14.962 -2.793 569 HA MET 79 HA MET 79 -0.542 16.533 -1.744 570 1HB MET 79 2HB MET 79 -2.301 14.488 -0.365 571 2HB MET 79 1HB MET 79 -0.835 15.174 0.339 572 1HG MET 79 2HG MET 79 -2.757 17.144 -0.726 573 2HG MET 79 1HG MET 79 -3.308 16.240 0.683 574 1HE MET 79 1HE MET 79 -0.492 16.559 3.160 575 2HE MET 79 2HE MET 79 -1.667 15.517 2.361 576 3HE MET 79 3HE MET 79 -2.226 16.879 3.329 577 H GLU 80 H GLU 80 0.765 14.501 -0.472 578 HA GLU 80 HA GLU 80 1.052 12.164 -2.237 579 1HB GLU 80 2HB GLU 80 2.691 14.606 -2.421 580 2HB GLU 80 1HB GLU 80 3.640 13.126 -2.272 581 1HG GLU 80 2HG GLU 80 2.498 12.141 -4.186 582 2HG GLU 80 1HG GLU 80 1.416 13.530 -4.293 583 H SER 81 H SER 81 0.782 10.928 -0.304 584 HA SER 81 HA SER 81 2.584 11.418 1.992 585 1HB SER 81 2HB SER 81 0.033 10.197 1.445 586 2HB SER 81 1HB SER 81 1.067 9.037 2.273 587 HG SER 81 HG SER 81 1.534 11.100 3.611 588 H GLN 82 H GLN 82 3.619 9.321 2.932 589 HA GLN 82 HA GLN 82 5.675 8.348 1.345 590 1HB GLN 82 2HB GLN 82 4.333 7.686 3.829 591 2HB GLN 82 1HB GLN 82 4.908 6.224 3.026 592 1HG GLN 82 2HG GLN 82 6.614 7.243 4.553 593 2HG GLN 82 1HG GLN 82 7.160 7.130 2.879 594 1HE2 GLN 82 1HE2 GLN 82 5.629 9.452 5.163 595 2HE2 GLN 82 2HE2 GLN 82 6.297 10.834 4.438 596 HA PRO 83 HA PRO 83 3.197 5.971 -1.542 597 1HB PRO 83 2HB PRO 83 5.239 5.460 -3.282 598 2HB PRO 83 1HB PRO 83 4.367 7.005 -3.244 599 1HG PRO 83 2HG PRO 83 7.029 6.312 -2.108 600 2HG PRO 83 1HG PRO 83 6.490 7.805 -2.891 601 1HD PRO 83 2HD PRO 83 6.730 7.511 -0.180 602 2HD PRO 83 1HD PRO 83 5.615 8.657 -0.958 603 H LEU 84 H LEU 84 2.984 3.714 -1.817 604 HA LEU 84 HA LEU 84 4.748 2.043 -0.118 605 1HB LEU 84 2HB LEU 84 2.312 1.900 0.093 606 2HB LEU 84 1HB LEU 84 2.166 1.536 -1.625 607 HG LEU 84 HG LEU 84 3.854 -0.425 -0.991 608 1HD1 LEU 84 1HD1 LEU 84 4.118 -0.795 1.211 609 2HD1 LEU 84 2HD1 LEU 84 2.371 -0.836 1.447 610 3HD1 LEU 84 3HD1 LEU 84 3.237 0.698 1.533 611 1HD2 LEU 84 1HD2 LEU 84 0.894 -0.175 -0.918 612 2HD2 LEU 84 2HD2 LEU 84 1.563 -1.653 -0.227 613 3HD2 LEU 84 3HD2 LEU 84 1.909 -1.228 -1.903 614 H ILE 85 H ILE 85 5.963 0.294 -0.964 615 HA ILE 85 HA ILE 85 6.343 0.336 -3.934 616 HB ILE 85 HB ILE 85 8.112 -0.371 -1.583 617 1HG1 ILE 85 2HG1 ILE 85 7.702 2.055 -2.228 618 2HG1 ILE 85 1HG1 ILE 85 9.391 1.547 -2.275 619 1HG2 ILE 85 1HG2 ILE 85 8.544 -0.735 -4.555 620 2HG2 ILE 85 2HG2 ILE 85 8.686 -1.952 -3.286 621 3HG2 ILE 85 3HG2 ILE 85 9.877 -0.656 -3.404 622 1HD1 ILE 85 1HD1 ILE 85 7.503 1.853 -4.621 623 2HD1 ILE 85 2HD1 ILE 85 9.077 1.069 -4.744 624 3HD1 ILE 85 3HD1 ILE 85 8.973 2.772 -4.303 625 H GLY 86 H GLY 86 6.535 -1.687 -5.035 626 1HA GLY 86 2HA GLY 86 6.011 -4.173 -3.520 627 2HA GLY 86 1HA GLY 86 4.805 -3.714 -4.724 628 H THR 87 H THR 87 8.192 -4.642 -4.291 629 HA THR 87 HA THR 87 8.505 -4.951 -7.241 630 HB THR 87 HB THR 87 10.599 -5.424 -5.126 631 HG1 THR 87 HG1 THR 87 10.331 -3.442 -4.531 632 1HG2 THR 87 1HG2 THR 87 12.108 -5.067 -6.831 633 2HG2 THR 87 2HG2 THR 87 11.029 -3.974 -7.699 634 3HG2 THR 87 3HG2 THR 87 10.761 -5.716 -7.767 635 H GLN 88 H GLN 88 8.613 -6.978 -8.178 636 HA GLN 88 HA GLN 88 9.235 -9.371 -6.593 637 1HB GLN 88 2HB GLN 88 6.667 -8.467 -6.492 638 2HB GLN 88 1HB GLN 88 6.582 -9.527 -7.900 639 1HG GLN 88 2HG GLN 88 7.724 -10.349 -5.215 640 2HG GLN 88 1HG GLN 88 6.086 -10.715 -5.753 641 1HE2 GLN 88 1HE2 GLN 88 6.042 -11.849 -8.038 642 2HE2 GLN 88 2HE2 GLN 88 7.228 -13.035 -8.298 643 H SER 89 H SER 89 9.900 -11.054 -7.957 644 HA SER 89 HA SER 89 10.497 -10.424 -10.713 645 1HB SER 89 2HB SER 89 11.545 -12.568 -10.668 646 2HB SER 89 1HB SER 89 11.710 -11.943 -9.030 647 HG SER 89 HG SER 89 10.940 -14.106 -9.075 648 H THR 90 H THR 90 8.736 -10.210 -12.094 649 HA THR 90 HA THR 90 6.230 -11.497 -11.925 650 HB THR 90 HB THR 90 7.069 -11.148 -14.665 651 HG1 THR 90 HG1 THR 90 8.273 -9.427 -14.555 652 1HG2 THR 90 1HG2 THR 90 4.842 -10.663 -14.183 653 2HG2 THR 90 2HG2 THR 90 5.548 -9.049 -14.265 654 3HG2 THR 90 3HG2 THR 90 5.248 -9.802 -12.699 655 H ALA 91 H ALA 91 5.409 -13.446 -12.820 656 HA ALA 91 HA ALA 91 6.925 -15.782 -12.792 657 1HB ALA 91 1HB ALA 91 4.922 -16.679 -13.408 658 2HB ALA 91 2HB ALA 91 4.837 -15.696 -14.870 659 3HB ALA 91 3HB ALA 91 4.326 -15.021 -13.322 660 H ILE 92 H ILE 92 7.349 -17.202 -14.845 661 HA ILE 92 HA ILE 92 8.286 -15.584 -17.165 662 HB ILE 92 HB ILE 92 10.470 -17.026 -16.912 663 1HG1 ILE 92 2HG1 ILE 92 11.008 -17.538 -14.558 664 2HG1 ILE 92 1HG1 ILE 92 9.402 -17.004 -14.066 665 1HG2 ILE 92 1HG2 ILE 92 10.159 -14.517 -16.610 666 2HG2 ILE 92 2HG2 ILE 92 11.489 -15.233 -15.699 667 3HG2 ILE 92 3HG2 ILE 92 9.975 -14.835 -14.885 668 1HD1 ILE 92 1HD1 ILE 92 9.595 -19.495 -14.305 669 2HD1 ILE 92 2HD1 ILE 92 9.911 -19.262 -16.024 670 3HD1 ILE 92 3HD1 ILE 92 8.357 -18.785 -15.339 671 HA PRO 93 HA PRO 93 6.712 -19.832 -18.216 672 1HB PRO 93 2HB PRO 93 4.183 -19.247 -19.037 673 2HB PRO 93 1HB PRO 93 4.583 -19.640 -17.354 674 1HG PRO 93 2HG PRO 93 3.912 -17.040 -18.560 675 2HG PRO 93 1HG PRO 93 3.756 -17.581 -16.885 676 1HD PRO 93 2HD PRO 93 5.797 -15.928 -17.973 677 2HD PRO 93 1HD PRO 93 5.715 -16.606 -16.336 678 H ALA 94 H ALA 94 8.240 -17.944 -19.690 679 HA ALA 94 HA ALA 94 6.928 -17.776 -22.359 680 1HB ALA 94 1HB ALA 94 8.010 -15.798 -21.230 681 2HB ALA 94 2HB ALA 94 8.681 -16.159 -22.821 682 3HB ALA 94 3HB ALA 94 9.556 -16.636 -21.365 Start of MODEL 17 1 1H ASN 1 1H ASN 1 -4.029 15.031 6.925 2 2H ASN 1 2H ASN 1 -2.948 16.292 7.287 3 3H ASN 1 3H ASN 1 -2.909 14.850 8.185 4 HA ASN 1 HA ASN 1 -2.165 15.159 5.317 5 1HB ASN 1 2HB ASN 1 -0.471 16.039 6.744 6 2HB ASN 1 1HB ASN 1 -0.722 14.772 7.946 7 1HD2 ASN 1 1HD2 ASN 1 1.296 13.698 7.910 8 2HD2 ASN 1 2HD2 ASN 1 1.982 13.020 6.512 9 H ILE 2 H ILE 2 -1.750 13.180 4.237 10 HA ILE 2 HA ILE 2 -3.263 10.891 4.910 11 HB ILE 2 HB ILE 2 -2.159 11.613 2.717 12 1HG1 ILE 2 2HG1 ILE 2 -1.376 8.793 3.038 13 2HG1 ILE 2 1HG1 ILE 2 -3.006 9.154 3.604 14 1HG2 ILE 2 1HG2 ILE 2 0.082 11.639 2.574 15 2HG2 ILE 2 2HG2 ILE 2 0.175 9.964 3.117 16 3HG2 ILE 2 3HG2 ILE 2 0.156 11.275 4.297 17 1HD1 ILE 2 1HD1 ILE 2 -3.144 10.493 1.324 18 2HD1 ILE 2 2HD1 ILE 2 -3.425 8.752 1.360 19 3HD1 ILE 2 3HD1 ILE 2 -1.860 9.382 0.851 20 H ASP 3 H ASP 3 -1.915 8.633 5.119 21 HA ASP 3 HA ASP 3 0.067 8.956 7.327 22 1HB ASP 3 2HB ASP 3 -2.180 8.437 8.177 23 2HB ASP 3 1HB ASP 3 -2.256 7.031 7.115 24 H ARG 4 H ARG 4 -0.294 7.919 4.262 25 HA ARG 4 HA ARG 4 0.881 6.407 2.914 26 1HB ARG 4 2HB ARG 4 2.489 6.739 5.418 27 2HB ARG 4 1HB ARG 4 3.000 5.541 4.232 28 1HG ARG 4 2HG ARG 4 4.116 7.389 3.404 29 2HG ARG 4 1HG ARG 4 2.586 7.563 2.546 30 1HD ARG 4 2HD ARG 4 3.070 9.724 3.509 31 2HD ARG 4 1HD ARG 4 1.808 9.005 4.531 32 HE ARG 4 HE ARG 4 3.985 8.092 5.811 33 1HH1 ARG 4 1HH1 ARG 4 5.044 10.538 3.998 34 2HH1 ARG 4 2HH1 ARG 4 5.315 11.682 5.269 35 1HH2 ARG 4 1HH2 ARG 4 3.599 9.843 7.654 36 2HH2 ARG 4 2HH2 ARG 4 4.494 11.291 7.337 37 HA PRO 5 HA PRO 5 -1.110 2.652 4.234 38 1HB PRO 5 2HB PRO 5 -0.573 1.224 1.960 39 2HB PRO 5 1HB PRO 5 -1.859 2.447 2.057 40 1HG PRO 5 2HG PRO 5 0.891 2.685 0.935 41 2HG PRO 5 1HG PRO 5 -0.639 3.317 0.312 42 1HD PRO 5 2HD PRO 5 1.148 4.861 1.631 43 2HD PRO 5 1HD PRO 5 -0.607 5.144 1.701 44 H LYS 6 H LYS 6 -0.356 0.243 4.258 45 HA LYS 6 HA LYS 6 2.566 -0.159 4.246 46 1HB LYS 6 2HB LYS 6 0.905 0.349 6.656 47 2HB LYS 6 1HB LYS 6 2.048 -0.986 6.787 48 1HG LYS 6 2HG LYS 6 2.776 1.826 5.915 49 2HG LYS 6 1HG LYS 6 3.030 1.178 7.532 50 1HD LYS 6 2HD LYS 6 4.735 -0.232 6.855 51 2HD LYS 6 1HD LYS 6 4.117 -0.365 5.211 52 1HE LYS 6 2HE LYS 6 6.016 1.018 4.938 53 2HE LYS 6 1HE LYS 6 4.699 2.201 5.074 54 1HZ LYS 6 1HZ LYS 6 5.125 1.927 7.596 55 2HZ LYS 6 2HZ LYS 6 6.151 2.934 6.688 56 3HZ LYS 6 3HZ LYS 6 6.650 1.366 7.114 57 H GLY 7 H GLY 7 3.107 -2.452 4.678 58 1HA GLY 7 2HA GLY 7 2.742 -4.746 4.382 59 2HA GLY 7 1HA GLY 7 1.212 -4.483 5.220 60 H LEU 8 H LEU 8 2.660 -3.905 1.988 61 HA LEU 8 HA LEU 8 0.036 -3.972 0.697 62 1HB LEU 8 2HB LEU 8 1.364 -2.734 -0.684 63 2HB LEU 8 1HB LEU 8 2.821 -3.313 0.113 64 HG LEU 8 HG LEU 8 2.657 -5.417 -1.247 65 1HD1 LEU 8 1HD1 LEU 8 0.611 -5.788 -2.153 66 2HD1 LEU 8 2HD1 LEU 8 1.110 -4.659 -3.412 67 3HD1 LEU 8 3HD1 LEU 8 0.158 -4.087 -2.041 68 1HD2 LEU 8 1HD2 LEU 8 3.865 -4.459 -2.955 69 2HD2 LEU 8 2HD2 LEU 8 3.784 -3.053 -1.895 70 3HD2 LEU 8 3HD2 LEU 8 2.660 -3.207 -3.245 71 H ALA 9 H ALA 9 -0.890 -5.778 -0.324 72 HA ALA 9 HA ALA 9 0.635 -8.358 -0.121 73 1HB ALA 9 1HB ALA 9 -1.361 -9.364 0.576 74 2HB ALA 9 2HB ALA 9 -2.361 -8.127 -0.186 75 3HB ALA 9 3HB ALA 9 -1.492 -7.763 1.305 76 H PHE 10 H PHE 10 0.024 -9.981 -1.796 77 HA PHE 10 HA PHE 10 -0.817 -8.688 -4.373 78 1HB PHE 10 2HB PHE 10 1.188 -10.892 -3.800 79 2HB PHE 10 1HB PHE 10 0.782 -10.287 -5.407 80 HD1 PHE 10 HD1 PHE 10 1.181 -7.840 -5.935 81 HD2 PHE 10 HD2 PHE 10 2.740 -9.752 -2.419 82 HE1 PHE 10 HE1 PHE 10 2.823 -6.004 -5.665 83 HE2 PHE 10 HE2 PHE 10 4.382 -7.913 -2.147 84 HZ PHE 10 HZ PHE 10 4.423 -6.039 -3.771 85 H THR 11 H THR 11 -1.881 -10.208 -5.899 86 HA THR 11 HA THR 11 -3.340 -12.392 -4.469 87 HB THR 11 HB THR 11 -4.066 -10.453 -6.673 88 HG1 THR 11 HG1 THR 11 -5.003 -11.025 -4.070 89 1HG2 THR 11 1HG2 THR 11 -4.960 -13.149 -6.331 90 2HG2 THR 11 2HG2 THR 11 -5.488 -11.955 -7.516 91 3HG2 THR 11 3HG2 THR 11 -6.285 -12.053 -5.947 92 H ASP 12 H ASP 12 -1.772 -11.409 -7.498 93 HA ASP 12 HA ASP 12 -0.920 -14.131 -8.080 94 1HB ASP 12 2HB ASP 12 -3.426 -13.965 -8.642 95 2HB ASP 12 1HB ASP 12 -2.941 -12.889 -9.955 96 H VAL 13 H VAL 13 0.884 -13.995 -9.409 97 HA VAL 13 HA VAL 13 1.434 -11.336 -10.669 98 HB VAL 13 HB VAL 13 2.893 -12.235 -8.820 99 1HG1 VAL 13 1HG1 VAL 13 2.604 -14.641 -9.749 100 2HG1 VAL 13 2HG1 VAL 13 4.194 -14.181 -9.143 101 3HG1 VAL 13 3HG1 VAL 13 3.885 -14.207 -10.879 102 1HG2 VAL 13 1HG2 VAL 13 5.048 -11.949 -10.175 103 2HG2 VAL 13 2HG2 VAL 13 3.889 -10.624 -10.270 104 3HG2 VAL 13 3HG2 VAL 13 4.013 -11.784 -11.591 105 H ASP 14 H ASP 14 2.616 -11.415 -12.755 106 HA ASP 14 HA ASP 14 2.813 -13.883 -14.280 107 1HB ASP 14 2HB ASP 14 0.305 -13.245 -14.060 108 2HB ASP 14 1HB ASP 14 0.687 -11.938 -15.182 109 H VAL 15 H VAL 15 4.146 -13.522 -16.087 110 HA VAL 15 HA VAL 15 5.836 -11.364 -16.347 111 HB VAL 15 HB VAL 15 5.949 -13.486 -17.594 112 1HG1 VAL 15 1HG1 VAL 15 4.491 -13.835 -19.532 113 2HG1 VAL 15 2HG1 VAL 15 3.666 -12.313 -19.196 114 3HG1 VAL 15 3HG1 VAL 15 3.530 -13.659 -18.064 115 1HG2 VAL 15 1HG2 VAL 15 5.919 -10.904 -19.144 116 2HG2 VAL 15 2HG2 VAL 15 6.356 -12.426 -19.920 117 3HG2 VAL 15 3HG2 VAL 15 7.308 -11.821 -18.565 118 H ASP 16 H ASP 16 2.559 -11.655 -17.665 119 HA ASP 16 HA ASP 16 2.642 -8.728 -18.324 120 1HB ASP 16 2HB ASP 16 1.381 -9.248 -20.322 121 2HB ASP 16 1HB ASP 16 2.749 -10.359 -20.266 122 H SER 17 H SER 17 1.736 -9.750 -15.822 123 HA SER 17 HA SER 17 -0.864 -8.572 -15.606 124 1HB SER 17 2HB SER 17 -0.656 -11.402 -16.380 125 2HB SER 17 1HB SER 17 -1.726 -11.118 -15.011 126 HG SER 17 HG SER 17 -2.919 -10.857 -16.869 127 H ILE 18 H ILE 18 -0.889 -7.922 -13.479 128 HA ILE 18 HA ILE 18 0.135 -9.805 -11.405 129 HB ILE 18 HB ILE 18 0.985 -6.915 -11.773 130 1HG1 ILE 18 2HG1 ILE 18 2.578 -9.482 -12.102 131 2HG1 ILE 18 1HG1 ILE 18 1.960 -8.511 -13.439 132 1HG2 ILE 18 1HG2 ILE 18 2.469 -7.309 -9.899 133 2HG2 ILE 18 2HG2 ILE 18 2.000 -9.008 -9.830 134 3HG2 ILE 18 3HG2 ILE 18 0.836 -7.754 -9.405 135 1HD1 ILE 18 1HD1 ILE 18 3.590 -6.948 -13.209 136 2HD1 ILE 18 2HD1 ILE 18 4.431 -8.174 -12.261 137 3HD1 ILE 18 3HD1 ILE 18 3.458 -6.947 -11.451 138 H LYS 19 H LYS 19 -1.805 -10.023 -10.275 139 HA LYS 19 HA LYS 19 -3.563 -7.711 -9.776 140 1HB LYS 19 2HB LYS 19 -3.498 -10.659 -9.160 141 2HB LYS 19 1HB LYS 19 -4.654 -9.620 -8.327 142 1HG LYS 19 2HG LYS 19 -5.999 -9.816 -10.122 143 2HG LYS 19 1HG LYS 19 -4.818 -8.864 -11.024 144 1HD LYS 19 2HD LYS 19 -4.387 -10.665 -12.305 145 2HD LYS 19 1HD LYS 19 -3.795 -11.508 -10.874 146 1HE LYS 19 2HE LYS 19 -5.570 -12.871 -11.797 147 2HE LYS 19 1HE LYS 19 -6.244 -12.075 -10.361 148 1HZ LYS 19 1HZ LYS 19 -7.684 -11.821 -12.322 149 2HZ LYS 19 2HZ LYS 19 -6.427 -11.014 -13.132 150 3HZ LYS 19 3HZ LYS 19 -7.125 -10.329 -11.741 151 H ILE 20 H ILE 20 -3.289 -6.369 -7.983 152 HA ILE 20 HA ILE 20 -1.867 -7.529 -5.615 153 HB ILE 20 HB ILE 20 -0.386 -5.647 -5.552 154 1HG1 ILE 20 2HG1 ILE 20 -1.134 -4.209 -7.930 155 2HG1 ILE 20 1HG1 ILE 20 -2.539 -4.328 -6.874 156 1HG2 ILE 20 1HG2 ILE 20 -0.011 -7.453 -7.322 157 2HG2 ILE 20 2HG2 ILE 20 0.815 -5.921 -7.597 158 3HG2 ILE 20 3HG2 ILE 20 -0.655 -6.302 -8.493 159 1HD1 ILE 20 1HD1 ILE 20 -1.270 -2.332 -6.288 160 2HD1 ILE 20 2HD1 ILE 20 0.202 -3.289 -6.106 161 3HD1 ILE 20 3HD1 ILE 20 -1.138 -3.507 -4.979 162 H ALA 21 H ALA 21 -2.364 -6.511 -3.614 163 HA ALA 21 HA ALA 21 -4.555 -4.486 -3.618 164 1HB ALA 21 1HB ALA 21 -5.651 -6.631 -3.453 165 2HB ALA 21 2HB ALA 21 -5.639 -5.937 -1.831 166 3HB ALA 21 3HB ALA 21 -4.480 -7.195 -2.262 167 H TRP 22 H TRP 22 -3.808 -2.839 -2.327 168 HA TRP 22 HA TRP 22 -1.801 -3.490 -0.211 169 1HB TRP 22 2HB TRP 22 -1.357 -1.029 -0.384 170 2HB TRP 22 1HB TRP 22 -1.149 -1.880 -1.915 171 HD1 TRP 22 HD1 TRP 22 -3.435 0.593 -0.134 172 HE1 TRP 22 HE1 TRP 22 -5.027 1.647 -1.867 173 HE3 TRP 22 HE3 TRP 22 -2.344 -2.289 -4.204 174 HZ2 TRP 22 HZ2 TRP 22 -5.739 1.313 -4.612 175 HZ3 TRP 22 HZ3 TRP 22 -3.493 -1.899 -6.364 176 HH2 TRP 22 HH2 TRP 22 -5.191 -0.099 -6.571 177 H GLU 23 H GLU 23 -1.986 -2.100 1.803 178 HA GLU 23 HA GLU 23 -4.663 -2.344 2.937 179 1HB GLU 23 2HB GLU 23 -1.937 -2.126 3.766 180 2HB GLU 23 1HB GLU 23 -2.846 -0.842 4.563 181 1HG GLU 23 2HG GLU 23 -4.426 -2.423 5.472 182 2HG GLU 23 1HG GLU 23 -3.734 -3.736 4.517 183 H SER 24 H SER 24 -6.204 -0.764 2.812 184 HA SER 24 HA SER 24 -5.802 1.787 1.599 185 1HB SER 24 2HB SER 24 -7.893 0.209 2.405 186 2HB SER 24 1HB SER 24 -7.974 1.517 3.582 187 HG SER 24 HG SER 24 -7.649 2.030 0.824 188 HA PRO 25 HA PRO 25 -4.104 4.139 4.892 189 1HB PRO 25 2HB PRO 25 -5.084 6.617 4.284 190 2HB PRO 25 1HB PRO 25 -3.788 5.835 3.356 191 1HG PRO 25 2HG PRO 25 -6.692 6.056 2.730 192 2HG PRO 25 1HG PRO 25 -5.293 6.168 1.654 193 1HD PRO 25 2HD PRO 25 -6.848 3.936 1.865 194 2HD PRO 25 1HD PRO 25 -5.130 3.895 1.409 195 H GLN 26 H GLN 26 -4.908 5.871 6.590 196 HA GLN 26 HA GLN 26 -7.266 4.761 7.907 197 1HB GLN 26 2HB GLN 26 -5.361 7.042 8.478 198 2HB GLN 26 1HB GLN 26 -6.621 6.518 9.597 199 1HG GLN 26 2HG GLN 26 -5.588 4.152 9.331 200 2HG GLN 26 1HG GLN 26 -4.187 4.996 8.671 201 1HE2 GLN 26 1HE2 GLN 26 -5.773 4.083 11.595 202 2HE2 GLN 26 2HE2 GLN 26 -4.796 4.972 12.660 203 H GLY 27 H GLY 27 -6.406 8.033 6.754 204 1HA GLY 27 2HA GLY 27 -8.969 9.189 7.143 205 2HA GLY 27 1HA GLY 27 -7.775 9.774 5.983 206 H GLN 28 H GLN 28 -7.987 9.216 3.833 207 HA GLN 28 HA GLN 28 -9.514 7.071 2.774 208 1HB GLN 28 2HB GLN 28 -11.100 8.969 4.034 209 2HB GLN 28 1HB GLN 28 -11.217 9.409 2.329 210 1HG GLN 28 2HG GLN 28 -11.364 6.570 2.482 211 2HG GLN 28 1HG GLN 28 -12.478 7.221 3.686 212 1HE2 GLN 28 1HE2 GLN 28 -11.514 8.411 0.413 213 2HE2 GLN 28 2HE2 GLN 28 -13.103 8.515 -0.175 214 H VAL 29 H VAL 29 -8.122 7.003 1.044 215 HA VAL 29 HA VAL 29 -6.947 9.176 -0.337 216 HB VAL 29 HB VAL 29 -7.611 6.304 -0.945 217 1HG1 VAL 29 1HG1 VAL 29 -6.281 8.267 -2.835 218 2HG1 VAL 29 2HG1 VAL 29 -7.803 7.422 -3.113 219 3HG1 VAL 29 3HG1 VAL 29 -6.290 6.517 -3.051 220 1HG2 VAL 29 1HG2 VAL 29 -5.481 5.948 -0.268 221 2HG2 VAL 29 2HG2 VAL 29 -5.576 7.573 0.410 222 3HG2 VAL 29 3HG2 VAL 29 -4.871 7.324 -1.186 223 H SER 30 H SER 30 -7.713 10.564 -1.895 224 HA SER 30 HA SER 30 -10.559 10.434 -2.657 225 1HB SER 30 2HB SER 30 -9.524 12.555 -2.035 226 2HB SER 30 1HB SER 30 -8.265 12.337 -3.245 227 HG SER 30 HG SER 30 -10.343 13.655 -3.670 228 H ARG 31 H ARG 31 -7.405 9.742 -4.006 229 HA ARG 31 HA ARG 31 -8.671 8.550 -6.402 230 1HB ARG 31 2HB ARG 31 -7.635 11.149 -6.409 231 2HB ARG 31 1HB ARG 31 -6.366 10.164 -7.133 232 1HG ARG 31 2HG ARG 31 -7.540 10.206 -9.056 233 2HG ARG 31 1HG ARG 31 -8.744 9.196 -8.256 234 1HD ARG 31 2HD ARG 31 -9.814 11.223 -9.173 235 2HD ARG 31 1HD ARG 31 -9.856 11.273 -7.398 236 HE ARG 31 HE ARG 31 -7.589 12.566 -8.843 237 1HH1 ARG 31 1HH1 ARG 31 -10.663 13.057 -7.465 238 2HH1 ARG 31 2HH1 ARG 31 -10.216 14.490 -6.600 239 1HH2 ARG 31 1HH2 ARG 31 -6.856 14.261 -7.422 240 2HH2 ARG 31 2HH2 ARG 31 -8.061 15.171 -6.575 241 H TYR 32 H TYR 32 -7.393 6.848 -7.236 242 HA TYR 32 HA TYR 32 -5.065 6.098 -5.537 243 1HB TYR 32 2HB TYR 32 -7.094 4.701 -7.243 244 2HB TYR 32 1HB TYR 32 -5.555 3.900 -6.935 245 HD1 TYR 32 HD1 TYR 32 -8.820 4.261 -5.740 246 HD2 TYR 32 HD2 TYR 32 -4.753 4.124 -4.360 247 HE1 TYR 32 HE1 TYR 32 -9.607 3.599 -3.484 248 HE2 TYR 32 HE2 TYR 32 -5.542 3.463 -2.105 249 HH TYR 32 HH TYR 32 -8.478 3.888 -0.987 250 H ARG 33 H ARG 33 -3.192 6.951 -6.420 251 HA ARG 33 HA ARG 33 -2.813 6.769 -9.383 252 1HB ARG 33 2HB ARG 33 -2.547 8.964 -8.197 253 2HB ARG 33 1HB ARG 33 -1.247 8.251 -7.241 254 1HG ARG 33 2HG ARG 33 -0.028 7.735 -9.369 255 2HG ARG 33 1HG ARG 33 -1.287 8.595 -10.254 256 1HD ARG 33 2HD ARG 33 -0.118 10.509 -9.894 257 2HD ARG 33 1HD ARG 33 -0.477 10.333 -8.164 258 HE ARG 33 HE ARG 33 1.629 8.547 -8.711 259 1HH1 ARG 33 1HH1 ARG 33 1.737 11.419 -10.268 260 2HH1 ARG 33 2HH1 ARG 33 3.043 12.111 -9.365 261 1HH2 ARG 33 1HH2 ARG 33 3.006 9.646 -6.925 262 2HH2 ARG 33 2HH2 ARG 33 3.763 11.104 -7.471 263 H VAL 34 H VAL 34 -1.484 5.138 -10.108 264 HA VAL 34 HA VAL 34 0.418 3.931 -8.117 265 HB VAL 34 HB VAL 34 -1.042 2.519 -10.354 266 1HG1 VAL 34 1HG1 VAL 34 -0.499 0.707 -8.374 267 2HG1 VAL 34 2HG1 VAL 34 0.896 1.778 -8.263 268 3HG1 VAL 34 3HG1 VAL 34 0.522 0.974 -9.787 269 1HG2 VAL 34 1HG2 VAL 34 -2.562 1.688 -8.565 270 2HG2 VAL 34 2HG2 VAL 34 -2.690 3.433 -8.788 271 3HG2 VAL 34 3HG2 VAL 34 -1.780 2.784 -7.425 272 H THR 35 H THR 35 2.502 4.133 -8.762 273 HA THR 35 HA THR 35 3.057 4.391 -11.694 274 HB THR 35 HB THR 35 5.277 5.301 -10.363 275 HG1 THR 35 HG1 THR 35 4.240 6.700 -8.741 276 1HG2 THR 35 1HG2 THR 35 3.085 7.264 -10.692 277 2HG2 THR 35 2HG2 THR 35 3.467 6.291 -12.113 278 3HG2 THR 35 3HG2 THR 35 4.719 7.278 -11.356 279 H TYR 36 H TYR 36 4.480 2.925 -12.580 280 HA TYR 36 HA TYR 36 5.951 1.104 -10.724 281 1HB TYR 36 2HB TYR 36 5.283 -0.601 -12.722 282 2HB TYR 36 1HB TYR 36 4.268 -0.373 -11.302 283 HD1 TYR 36 HD1 TYR 36 2.468 1.504 -11.435 284 HD2 TYR 36 HD2 TYR 36 4.411 -0.188 -14.870 285 HE1 TYR 36 HE1 TYR 36 0.619 2.307 -12.876 286 HE2 TYR 36 HE2 TYR 36 2.560 0.615 -16.312 287 HH TYR 36 HH TYR 36 -0.109 1.205 -15.713 288 H SER 37 H SER 37 8.017 0.610 -11.396 289 HA SER 37 HA SER 37 8.845 1.705 -14.069 290 1HB SER 37 2HB SER 37 10.721 2.620 -13.024 291 2HB SER 37 1HB SER 37 9.502 2.791 -11.765 292 HG SER 37 HG SER 37 11.762 1.266 -11.830 293 H SER 38 H SER 38 10.575 0.551 -15.137 294 HA SER 38 HA SER 38 11.222 -2.165 -14.076 295 1HB SER 38 2HB SER 38 9.192 -1.860 -15.761 296 2HB SER 38 1HB SER 38 10.483 -1.788 -16.957 297 HG SER 38 HG SER 38 9.891 -3.923 -16.691 298 HA PRO 39 HA PRO 39 15.173 -1.089 -15.683 299 1HB PRO 39 2HB PRO 39 16.285 -3.576 -15.879 300 2HB PRO 39 1HB PRO 39 16.030 -2.751 -14.329 301 1HG PRO 39 2HG PRO 39 14.458 -4.933 -15.585 302 2HG PRO 39 1HG PRO 39 14.802 -4.625 -13.876 303 1HD PRO 39 2HD PRO 39 12.411 -4.035 -15.131 304 2HD PRO 39 1HD PRO 39 12.984 -3.276 -13.631 305 H GLU 40 H GLU 40 13.357 -0.902 -17.717 306 HA GLU 40 HA GLU 40 14.836 -1.498 -20.076 307 1HB GLU 40 2HB GLU 40 13.233 -3.649 -18.908 308 2HB GLU 40 1HB GLU 40 12.803 -3.325 -20.589 309 1HG GLU 40 2HG GLU 40 15.590 -3.222 -20.577 310 2HG GLU 40 1HG GLU 40 15.206 -4.574 -19.510 311 H ASP 41 H ASP 41 11.353 -1.957 -19.371 312 HA ASP 41 HA ASP 41 10.482 -0.341 -21.581 313 1HB ASP 41 2HB ASP 41 9.378 -1.807 -19.284 314 2HB ASP 41 1HB ASP 41 8.399 -0.426 -19.779 315 H GLY 42 H GLY 42 11.046 0.366 -18.158 316 1HA GLY 42 2HA GLY 42 11.796 2.700 -17.651 317 2HA GLY 42 1HA GLY 42 10.554 3.250 -18.777 318 H ILE 43 H ILE 43 9.010 4.262 -17.546 319 HA ILE 43 HA ILE 43 7.820 2.701 -15.305 320 HB ILE 43 HB ILE 43 9.628 4.399 -14.646 321 1HG1 ILE 43 2HG1 ILE 43 6.805 4.581 -13.555 322 2HG1 ILE 43 1HG1 ILE 43 8.099 3.528 -12.984 323 1HG2 ILE 43 1HG2 ILE 43 7.433 6.421 -15.061 324 2HG2 ILE 43 2HG2 ILE 43 8.610 6.094 -16.333 325 3HG2 ILE 43 3HG2 ILE 43 9.149 6.702 -14.768 326 1HD1 ILE 43 1HD1 ILE 43 8.210 5.279 -11.447 327 2HD1 ILE 43 2HD1 ILE 43 7.793 6.496 -12.653 328 3HD1 ILE 43 3HD1 ILE 43 9.405 5.781 -12.642 329 H HIS 44 H HIS 44 5.621 3.382 -14.777 330 HA HIS 44 HA HIS 44 4.316 5.216 -16.747 331 1HB HIS 44 2HB HIS 44 4.211 2.373 -16.682 332 2HB HIS 44 1HB HIS 44 2.638 2.962 -16.144 333 HD1 HIS 44 HD1 HIS 44 1.074 3.779 -17.924 334 HD2 HIS 44 HD2 HIS 44 5.008 3.567 -19.287 335 HE1 HIS 44 HE1 HIS 44 1.001 4.282 -20.408 336 H GLU 45 H GLU 45 1.897 5.528 -15.967 337 HA GLU 45 HA GLU 45 1.790 5.557 -12.968 338 1HB GLU 45 2HB GLU 45 1.051 7.774 -14.907 339 2HB GLU 45 1HB GLU 45 0.857 7.847 -13.155 340 1HG GLU 45 2HG GLU 45 3.090 8.165 -12.785 341 2HG GLU 45 1HG GLU 45 3.564 7.116 -14.121 342 H LEU 46 H LEU 46 -0.243 5.048 -12.132 343 HA LEU 46 HA LEU 46 -2.339 4.261 -14.098 344 1HB LEU 46 2HB LEU 46 -1.393 2.786 -12.214 345 2HB LEU 46 1HB LEU 46 -2.286 3.827 -11.110 346 HG LEU 46 HG LEU 46 -4.380 3.320 -12.317 347 1HD1 LEU 46 1HD1 LEU 46 -3.813 2.831 -14.525 348 2HD1 LEU 46 2HD1 LEU 46 -4.104 1.215 -13.883 349 3HD1 LEU 46 3HD1 LEU 46 -2.453 1.810 -14.058 350 1HD2 LEU 46 1HD2 LEU 46 -3.366 1.859 -10.419 351 2HD2 LEU 46 2HD2 LEU 46 -3.018 0.697 -11.700 352 3HD2 LEU 46 3HD2 LEU 46 -4.684 1.176 -11.371 353 H PHE 47 H PHE 47 -3.692 5.928 -14.568 354 HA PHE 47 HA PHE 47 -4.288 8.032 -12.585 355 1HB PHE 47 2HB PHE 47 -3.898 7.855 -15.329 356 2HB PHE 47 1HB PHE 47 -5.637 8.099 -15.172 357 HD1 PHE 47 HD1 PHE 47 -6.361 10.302 -15.176 358 HD2 PHE 47 HD2 PHE 47 -2.493 9.377 -13.552 359 HE1 PHE 47 HE1 PHE 47 -5.981 12.709 -14.711 360 HE2 PHE 47 HE2 PHE 47 -2.113 11.785 -13.088 361 HZ PHE 47 HZ PHE 47 -3.857 13.449 -13.667 362 HA PRO 48 HA PRO 48 -8.639 6.239 -13.525 363 1HB PRO 48 2HB PRO 48 -8.809 3.629 -14.307 364 2HB PRO 48 1HB PRO 48 -8.689 4.982 -15.449 365 1HG PRO 48 2HG PRO 48 -6.601 3.076 -14.552 366 2HG PRO 48 1HG PRO 48 -6.836 3.837 -16.133 367 1HD PRO 48 2HD PRO 48 -4.977 4.635 -14.265 368 2HD PRO 48 1HD PRO 48 -5.606 5.670 -15.564 369 H ALA 49 H ALA 49 -9.128 6.199 -11.379 370 HA ALA 49 HA ALA 49 -8.113 4.009 -9.647 371 1HB ALA 49 1HB ALA 49 -8.851 5.460 -7.876 372 2HB ALA 49 2HB ALA 49 -9.865 6.386 -8.980 373 3HB ALA 49 3HB ALA 49 -8.109 6.498 -9.091 374 HA PRO 50 HA PRO 50 -12.003 1.935 -10.331 375 1HB PRO 50 2HB PRO 50 -11.552 -0.166 -8.654 376 2HB PRO 50 1HB PRO 50 -10.827 -0.043 -10.270 377 1HG PRO 50 2HG PRO 50 -9.617 0.511 -7.610 378 2HG PRO 50 1HG PRO 50 -8.892 -0.211 -9.054 379 1HD PRO 50 2HD PRO 50 -8.502 2.398 -8.282 380 2HD PRO 50 1HD PRO 50 -8.355 1.820 -9.957 381 H ASP 51 H ASP 51 -13.906 2.406 -9.372 382 HA ASP 51 HA ASP 51 -15.428 3.148 -7.723 383 1HB ASP 51 2HB ASP 51 -14.555 0.694 -7.227 384 2HB ASP 51 1HB ASP 51 -13.857 1.477 -5.812 385 H GLY 52 H GLY 52 -15.388 3.923 -5.228 386 1HA GLY 52 2HA GLY 52 -13.183 5.919 -5.076 387 2HA GLY 52 1HA GLY 52 -14.739 6.060 -4.257 388 H GLU 53 H GLU 53 -14.056 2.942 -3.781 389 HA GLU 53 HA GLU 53 -12.382 3.449 -1.363 390 1HB GLU 53 2HB GLU 53 -15.119 2.572 -1.663 391 2HB GLU 53 1HB GLU 53 -14.169 1.323 -0.858 392 1HG GLU 53 2HG GLU 53 -14.464 4.220 -0.025 393 2HG GLU 53 1HG GLU 53 -15.017 2.795 0.855 394 H GLU 54 H GLU 54 -12.292 1.999 -4.261 395 HA GLU 54 HA GLU 54 -11.609 -0.735 -3.667 396 1HB GLU 54 2HB GLU 54 -12.280 0.522 -5.869 397 2HB GLU 54 1HB GLU 54 -10.552 0.851 -5.998 398 1HG GLU 54 2HG GLU 54 -11.047 -1.200 -7.193 399 2HG GLU 54 1HG GLU 54 -10.126 -1.598 -5.745 400 H ASP 55 H ASP 55 -9.846 -1.292 -2.450 401 HA ASP 55 HA ASP 55 -7.471 0.504 -2.407 402 1HB ASP 55 2HB ASP 55 -6.896 -0.951 -0.438 403 2HB ASP 55 1HB ASP 55 -8.464 -0.156 -0.285 404 H THR 56 H THR 56 -8.333 -1.726 -4.508 405 HA THR 56 HA THR 56 -5.635 -3.052 -4.569 406 HB THR 56 HB THR 56 -6.833 -5.014 -5.495 407 HG1 THR 56 HG1 THR 56 -9.247 -3.758 -4.820 408 1HG2 THR 56 1HG2 THR 56 -8.380 -4.252 -3.049 409 2HG2 THR 56 2HG2 THR 56 -6.627 -4.402 -2.936 410 3HG2 THR 56 3HG2 THR 56 -7.599 -5.782 -3.445 411 H ALA 57 H ALA 57 -5.698 -4.175 -7.052 412 HA ALA 57 HA ALA 57 -6.790 -2.467 -9.126 413 1HB ALA 57 1HB ALA 57 -4.636 -1.428 -7.749 414 2HB ALA 57 2HB ALA 57 -5.119 -0.949 -9.374 415 3HB ALA 57 3HB ALA 57 -3.869 -2.171 -9.151 416 H GLU 58 H GLU 58 -6.239 -3.263 -11.254 417 HA GLU 58 HA GLU 58 -4.986 -5.985 -11.233 418 1HB GLU 58 2HB GLU 58 -7.316 -4.699 -12.482 419 2HB GLU 58 1HB GLU 58 -6.364 -5.672 -13.605 420 1HG GLU 58 2HG GLU 58 -6.423 -7.524 -11.852 421 2HG GLU 58 1HG GLU 58 -7.637 -6.562 -11.010 422 H LEU 59 H LEU 59 -2.791 -5.379 -11.614 423 HA LEU 59 HA LEU 59 -2.096 -3.528 -13.779 424 1HB LEU 59 2HB LEU 59 -0.707 -5.239 -11.745 425 2HB LEU 59 1HB LEU 59 0.225 -4.656 -13.124 426 HG LEU 59 HG LEU 59 -1.434 -2.852 -11.343 427 1HD1 LEU 59 1HD1 LEU 59 1.534 -3.475 -11.290 428 2HD1 LEU 59 2HD1 LEU 59 0.366 -3.823 -10.015 429 3HD1 LEU 59 3HD1 LEU 59 0.776 -2.152 -10.404 430 1HD2 LEU 59 1HD2 LEU 59 0.864 -2.073 -13.130 431 2HD2 LEU 59 2HD2 LEU 59 -0.453 -1.070 -12.526 432 3HD2 LEU 59 3HD2 LEU 59 -0.757 -2.253 -13.796 433 H GLN 60 H GLN 60 -3.181 -4.658 -15.552 434 HA GLN 60 HA GLN 60 -1.828 -7.203 -16.362 435 1HB GLN 60 2HB GLN 60 -4.528 -6.217 -17.283 436 2HB GLN 60 1HB GLN 60 -3.922 -7.871 -17.254 437 1HG GLN 60 2HG GLN 60 -4.028 -7.940 -14.826 438 2HG GLN 60 1HG GLN 60 -4.422 -6.222 -14.749 439 1HE2 GLN 60 1HE2 GLN 60 -6.556 -5.581 -15.815 440 2HE2 GLN 60 2HE2 GLN 60 -7.828 -6.704 -15.797 441 H GLY 61 H GLY 61 -0.613 -7.086 -18.215 442 1HA GLY 61 2HA GLY 61 -0.743 -6.389 -20.666 443 2HA GLY 61 1HA GLY 61 -1.095 -4.774 -20.055 444 H LEU 62 H LEU 62 1.298 -7.077 -18.767 445 HA LEU 62 HA LEU 62 3.408 -5.022 -19.339 446 1HB LEU 62 2HB LEU 62 3.476 -7.250 -17.305 447 2HB LEU 62 1HB LEU 62 4.443 -5.776 -17.334 448 HG LEU 62 HG LEU 62 1.468 -5.990 -16.834 449 1HD1 LEU 62 1HD1 LEU 62 1.989 -5.775 -14.648 450 2HD1 LEU 62 2HD1 LEU 62 3.208 -4.544 -14.974 451 3HD1 LEU 62 3HD1 LEU 62 3.616 -6.253 -15.125 452 1HD2 LEU 62 1HD2 LEU 62 1.462 -3.565 -16.685 453 2HD2 LEU 62 2HD2 LEU 62 2.129 -4.014 -18.256 454 3HD2 LEU 62 3HD2 LEU 62 3.204 -3.502 -16.953 455 H ARG 63 H ARG 63 5.513 -5.831 -19.957 456 HA ARG 63 HA ARG 63 5.386 -8.466 -21.360 457 1HB ARG 63 2HB ARG 63 6.895 -7.495 -22.965 458 2HB ARG 63 1HB ARG 63 5.621 -6.316 -22.657 459 1HG ARG 63 2HG ARG 63 7.570 -5.012 -22.522 460 2HG ARG 63 1HG ARG 63 7.246 -5.398 -20.833 461 1HD ARG 63 2HD ARG 63 9.271 -6.407 -20.672 462 2HD ARG 63 1HD ARG 63 8.818 -7.526 -21.971 463 HE ARG 63 HE ARG 63 9.460 -4.923 -23.045 464 1HH1 ARG 63 1HH1 ARG 63 11.016 -7.462 -21.343 465 2HH1 ARG 63 2HH1 ARG 63 12.414 -7.484 -22.366 466 1HH2 ARG 63 1HH2 ARG 63 11.180 -5.091 -24.550 467 2HH2 ARG 63 2HH2 ARG 63 12.506 -6.142 -24.179 468 HA PRO 64 HA PRO 64 9.619 -8.299 -18.993 469 1HB PRO 64 2HB PRO 64 9.420 -7.516 -16.390 470 2HB PRO 64 1HB PRO 64 9.814 -6.395 -17.709 471 1HG PRO 64 2HG PRO 64 7.237 -6.818 -16.293 472 2HG PRO 64 1HG PRO 64 7.953 -5.323 -16.918 473 1HD PRO 64 2HD PRO 64 5.944 -6.720 -18.172 474 2HD PRO 64 1HD PRO 64 7.075 -5.627 -18.997 475 H GLY 65 H GLY 65 10.338 -9.673 -17.008 476 1HA GLY 65 2HA GLY 65 8.215 -11.372 -15.867 477 2HA GLY 65 1HA GLY 65 9.368 -12.184 -16.927 478 H SER 66 H SER 66 10.112 -9.502 -14.735 479 HA SER 66 HA SER 66 11.545 -11.360 -12.895 480 1HB SER 66 2HB SER 66 13.398 -9.395 -13.249 481 2HB SER 66 1HB SER 66 13.400 -10.905 -14.154 482 HG SER 66 HG SER 66 13.477 -8.955 -15.454 483 H GLU 67 H GLU 67 12.793 -9.563 -11.267 484 HA GLU 67 HA GLU 67 10.939 -8.562 -9.490 485 1HB GLU 67 2HB GLU 67 13.624 -8.509 -9.706 486 2HB GLU 67 1HB GLU 67 13.287 -6.814 -10.063 487 1HG GLU 67 2HG GLU 67 12.761 -6.368 -7.908 488 2HG GLU 67 1HG GLU 67 11.717 -7.786 -7.797 489 H TYR 68 H TYR 68 9.300 -7.131 -9.701 490 HA TYR 68 HA TYR 68 9.442 -5.058 -11.859 491 1HB TYR 68 2HB TYR 68 7.687 -6.871 -11.850 492 2HB TYR 68 1HB TYR 68 7.076 -6.200 -10.344 493 HD1 TYR 68 HD1 TYR 68 4.948 -5.408 -11.002 494 HD2 TYR 68 HD2 TYR 68 8.432 -4.307 -13.257 495 HE1 TYR 68 HE1 TYR 68 3.602 -3.763 -12.272 496 HE2 TYR 68 HE2 TYR 68 7.085 -2.655 -14.529 497 HH TYR 68 HH TYR 68 3.593 -2.260 -13.899 498 H THR 69 H THR 69 9.605 -2.926 -11.169 499 HA THR 69 HA THR 69 9.350 -2.381 -8.258 500 HB THR 69 HB THR 69 10.136 -0.398 -10.378 501 HG1 THR 69 HG1 THR 69 11.717 -2.514 -9.348 502 1HG2 THR 69 1HG2 THR 69 11.913 -0.309 -8.263 503 2HG2 THR 69 2HG2 THR 69 10.395 -0.745 -7.479 504 3HG2 THR 69 3HG2 THR 69 10.495 0.725 -8.447 505 H VAL 70 H VAL 70 7.110 -2.223 -7.856 506 HA VAL 70 HA VAL 70 5.626 -0.188 -9.474 507 HB VAL 70 HB VAL 70 4.589 -2.460 -7.767 508 1HG1 VAL 70 1HG1 VAL 70 2.620 -1.947 -9.490 509 2HG1 VAL 70 2HG1 VAL 70 3.371 -0.350 -9.504 510 3HG1 VAL 70 3HG1 VAL 70 2.779 -1.034 -7.990 511 1HG2 VAL 70 1HG2 VAL 70 5.828 -3.416 -9.601 512 2HG2 VAL 70 2HG2 VAL 70 5.154 -2.247 -10.738 513 3HG2 VAL 70 3HG2 VAL 70 4.121 -3.494 -10.038 514 H SER 71 H SER 71 5.370 1.712 -8.402 515 HA SER 71 HA SER 71 5.481 1.724 -5.424 516 1HB SER 71 2HB SER 71 6.395 3.377 -7.603 517 2HB SER 71 1HB SER 71 5.387 4.332 -6.520 518 HG SER 71 HG SER 71 7.546 4.314 -5.816 519 H VAL 72 H VAL 72 3.449 1.529 -4.530 520 HA VAL 72 HA VAL 72 1.049 2.496 -5.939 521 HB VAL 72 HB VAL 72 1.709 1.080 -3.357 522 1HG1 VAL 72 1HG1 VAL 72 -0.057 2.268 -2.467 523 2HG1 VAL 72 2HG1 VAL 72 -0.970 1.002 -3.290 524 3HG1 VAL 72 3HG1 VAL 72 -0.778 2.584 -4.046 525 1HG2 VAL 72 1HG2 VAL 72 -0.200 0.345 -5.594 526 2HG2 VAL 72 2HG2 VAL 72 0.455 -0.717 -4.347 527 3HG2 VAL 72 3HG2 VAL 72 1.510 -0.089 -5.613 528 H VAL 73 H VAL 73 0.202 4.541 -5.659 529 HA VAL 73 HA VAL 73 1.170 6.121 -3.296 530 HB VAL 73 HB VAL 73 0.371 7.206 -6.000 531 1HG1 VAL 73 1HG1 VAL 73 2.363 8.350 -4.049 532 2HG1 VAL 73 2HG1 VAL 73 0.635 8.622 -3.821 533 3HG1 VAL 73 3HG1 VAL 73 1.430 9.184 -5.292 534 1HG2 VAL 73 1HG2 VAL 73 2.239 6.305 -6.879 535 2HG2 VAL 73 2HG2 VAL 73 2.659 5.585 -5.324 536 3HG2 VAL 73 3HG2 VAL 73 3.190 7.222 -5.711 537 H ALA 74 H ALA 74 -0.395 6.983 -2.027 538 HA ALA 74 HA ALA 74 -3.240 6.710 -2.878 539 1HB ALA 74 1HB ALA 74 -1.726 6.245 -0.509 540 2HB ALA 74 2HB ALA 74 -3.459 6.015 -0.736 541 3HB ALA 74 3HB ALA 74 -2.844 7.563 -0.158 542 H LEU 75 H LEU 75 -4.484 8.564 -3.205 543 HA LEU 75 HA LEU 75 -3.107 11.190 -2.840 544 1HB LEU 75 2HB LEU 75 -5.433 10.258 -4.538 545 2HB LEU 75 1HB LEU 75 -4.858 11.923 -4.489 546 HG LEU 75 HG LEU 75 -3.071 9.580 -5.163 547 1HD1 LEU 75 1HD1 LEU 75 -4.567 9.559 -6.965 548 2HD1 LEU 75 2HD1 LEU 75 -3.325 10.677 -7.529 549 3HD1 LEU 75 3HD1 LEU 75 -4.842 11.300 -6.882 550 1HD2 LEU 75 1HD2 LEU 75 -1.513 11.196 -4.851 551 2HD2 LEU 75 2HD2 LEU 75 -2.739 12.461 -4.762 552 3HD2 LEU 75 3HD2 LEU 75 -2.135 11.928 -6.330 553 H HIS 76 H HIS 76 -3.905 12.650 -1.402 554 HA HIS 76 HA HIS 76 -6.575 12.099 -0.151 555 1HB HIS 76 2HB HIS 76 -4.558 11.723 1.279 556 2HB HIS 76 1HB HIS 76 -4.091 13.404 1.013 557 HD1 HIS 76 HD1 HIS 76 -6.073 15.198 1.725 558 HD2 HIS 76 HD2 HIS 76 -6.212 11.411 3.464 559 HE1 HIS 76 HE1 HIS 76 -7.549 15.403 3.775 560 H ASP 77 H ASP 77 -7.620 13.516 -1.724 561 HA ASP 77 HA ASP 77 -8.532 15.629 -2.305 562 1HB ASP 77 2HB ASP 77 -7.339 15.902 0.296 563 2HB ASP 77 1HB ASP 77 -6.999 17.362 -0.632 564 H ASP 78 H ASP 78 -5.049 16.026 -1.483 565 HA ASP 78 HA ASP 78 -4.328 16.523 -4.266 566 1HB ASP 78 2HB ASP 78 -5.542 18.602 -3.065 567 2HB ASP 78 1HB ASP 78 -3.896 18.888 -2.498 568 H MET 79 H MET 79 -3.370 14.806 -2.080 569 HA MET 79 HA MET 79 -0.696 15.996 -1.505 570 1HB MET 79 2HB MET 79 -2.596 15.003 0.154 571 2HB MET 79 1HB MET 79 -1.650 13.544 -0.147 572 1HG MET 79 2HG MET 79 -0.460 14.414 1.619 573 2HG MET 79 1HG MET 79 0.376 15.199 0.282 574 1HE MET 79 1HE MET 79 1.271 16.911 0.819 575 2HE MET 79 2HE MET 79 1.030 17.383 2.498 576 3HE MET 79 3HE MET 79 0.579 18.494 1.208 577 H GLU 80 H GLU 80 1.162 14.620 -1.741 578 HA GLU 80 HA GLU 80 0.780 12.274 -3.577 579 1HB GLU 80 2HB GLU 80 2.764 14.548 -3.470 580 2HB GLU 80 1HB GLU 80 3.166 13.044 -4.301 581 1HG GLU 80 2HG GLU 80 2.050 13.806 -6.102 582 2HG GLU 80 1HG GLU 80 0.563 13.722 -5.155 583 H SER 81 H SER 81 0.635 11.447 -1.118 584 HA SER 81 HA SER 81 2.865 11.273 0.592 585 1HB SER 81 2HB SER 81 1.677 9.284 1.450 586 2HB SER 81 1HB SER 81 0.552 10.590 1.095 587 HG SER 81 HG SER 81 1.161 8.766 -0.936 588 H GLN 82 H GLN 82 4.578 9.768 0.797 589 HA GLN 82 HA GLN 82 5.985 8.841 -1.380 590 1HB GLN 82 2HB GLN 82 5.686 7.972 1.480 591 2HB GLN 82 1HB GLN 82 6.735 7.046 0.406 592 1HG GLN 82 2HG GLN 82 8.347 8.572 0.800 593 2HG GLN 82 1HG GLN 82 7.374 9.728 -0.111 594 1HE2 GLN 82 1HE2 GLN 82 5.960 11.195 1.128 595 2HE2 GLN 82 2HE2 GLN 82 6.212 11.448 2.787 596 HA PRO 83 HA PRO 83 3.482 5.586 -2.963 597 1HB PRO 83 2HB PRO 83 5.332 4.488 -4.637 598 2HB PRO 83 1HB PRO 83 4.514 6.021 -4.979 599 1HG PRO 83 2HG PRO 83 7.258 5.531 -3.958 600 2HG PRO 83 1HG PRO 83 6.667 6.797 -5.044 601 1HD PRO 83 2HD PRO 83 7.192 7.158 -2.354 602 2HD PRO 83 1HD PRO 83 6.109 8.182 -3.319 603 H LEU 84 H LEU 84 3.057 3.517 -2.219 604 HA LEU 84 HA LEU 84 4.899 2.214 -0.365 605 1HB LEU 84 2HB LEU 84 2.546 2.057 0.047 606 2HB LEU 84 1HB LEU 84 2.219 1.559 -1.615 607 HG LEU 84 HG LEU 84 3.423 -0.560 -1.228 608 1HD1 LEU 84 1HD1 LEU 84 3.656 -0.757 1.528 609 2HD1 LEU 84 2HD1 LEU 84 4.230 0.877 1.195 610 3HD1 LEU 84 3HD1 LEU 84 4.990 -0.503 0.404 611 1HD2 LEU 84 1HD2 LEU 84 1.847 -1.457 0.604 612 2HD2 LEU 84 2HD2 LEU 84 1.085 -0.718 -0.805 613 3HD2 LEU 84 3HD2 LEU 84 1.217 0.187 0.703 614 H ILE 85 H ILE 85 6.765 1.739 -1.692 615 HA ILE 85 HA ILE 85 7.002 0.627 -4.191 616 HB ILE 85 HB ILE 85 8.425 0.269 -1.579 617 1HG1 ILE 85 2HG1 ILE 85 8.556 2.257 -3.255 618 2HG1 ILE 85 1HG1 ILE 85 10.064 1.610 -2.615 619 1HG2 ILE 85 1HG2 ILE 85 10.178 -1.097 -2.709 620 2HG2 ILE 85 2HG2 ILE 85 9.145 -1.216 -4.135 621 3HG2 ILE 85 3HG2 ILE 85 8.638 -1.956 -2.617 622 1HD1 ILE 85 1HD1 ILE 85 10.576 0.478 -4.621 623 2HD1 ILE 85 2HD1 ILE 85 9.896 2.005 -5.181 624 3HD1 ILE 85 3HD1 ILE 85 8.908 0.544 -5.189 625 H GLY 86 H GLY 86 7.007 -1.495 -5.066 626 1HA GLY 86 2HA GLY 86 6.012 -3.735 -3.425 627 2HA GLY 86 1HA GLY 86 4.974 -3.228 -4.762 628 H THR 87 H THR 87 8.096 -4.619 -3.939 629 HA THR 87 HA THR 87 8.870 -4.986 -6.754 630 HB THR 87 HB THR 87 10.079 -6.094 -4.209 631 HG1 THR 87 HG1 THR 87 10.985 -3.763 -5.439 632 1HG2 THR 87 1HG2 THR 87 11.300 -7.108 -5.866 633 2HG2 THR 87 2HG2 THR 87 12.152 -5.564 -5.827 634 3HG2 THR 87 3HG2 THR 87 10.919 -5.860 -7.053 635 H GLN 88 H GLN 88 7.700 -6.553 -7.840 636 HA GLN 88 HA GLN 88 7.334 -9.200 -6.470 637 1HB GLN 88 2HB GLN 88 5.209 -8.097 -6.714 638 2HB GLN 88 1HB GLN 88 5.579 -7.633 -8.377 639 1HG GLN 88 2HG GLN 88 4.077 -9.548 -8.418 640 2HG GLN 88 1HG GLN 88 5.670 -10.064 -8.978 641 1HE2 GLN 88 1HE2 GLN 88 6.418 -11.943 -7.993 642 2HE2 GLN 88 2HE2 GLN 88 5.950 -12.491 -6.457 643 H SER 89 H SER 89 8.368 -10.862 -7.524 644 HA SER 89 HA SER 89 9.846 -10.433 -9.971 645 1HB SER 89 2HB SER 89 10.060 -12.996 -9.718 646 2HB SER 89 1HB SER 89 10.662 -12.011 -8.389 647 HG SER 89 HG SER 89 9.044 -13.910 -8.090 648 H THR 90 H THR 90 8.422 -9.881 -11.696 649 HA THR 90 HA THR 90 5.925 -11.134 -12.257 650 HB THR 90 HB THR 90 7.572 -10.229 -14.537 651 HG1 THR 90 HG1 THR 90 6.838 -8.253 -12.726 652 1HG2 THR 90 1HG2 THR 90 5.544 -8.602 -14.585 653 2HG2 THR 90 2HG2 THR 90 4.879 -9.645 -13.328 654 3HG2 THR 90 3HG2 THR 90 5.253 -10.308 -14.918 655 H ALA 91 H ALA 91 5.411 -12.996 -13.389 656 HA ALA 91 HA ALA 91 7.416 -15.057 -13.692 657 1HB ALA 91 1HB ALA 91 4.611 -14.759 -13.575 658 2HB ALA 91 2HB ALA 91 5.525 -16.267 -13.592 659 3HB ALA 91 3HB ALA 91 4.964 -15.559 -15.106 660 H ILE 92 H ILE 92 6.625 -16.281 -16.065 661 HA ILE 92 HA ILE 92 7.666 -14.381 -18.142 662 HB ILE 92 HB ILE 92 9.054 -16.115 -18.926 663 1HG1 ILE 92 2HG1 ILE 92 7.150 -17.760 -19.138 664 2HG1 ILE 92 1HG1 ILE 92 8.657 -18.487 -18.589 665 1HG2 ILE 92 1HG2 ILE 92 10.333 -16.754 -17.103 666 2HG2 ILE 92 2HG2 ILE 92 8.924 -17.124 -16.110 667 3HG2 ILE 92 3HG2 ILE 92 9.383 -15.447 -16.397 668 1HD1 ILE 92 1HD1 ILE 92 7.093 -19.388 -17.095 669 2HD1 ILE 92 2HD1 ILE 92 6.168 -17.889 -17.011 670 3HD1 ILE 92 3HD1 ILE 92 7.726 -18.011 -16.195 671 HA PRO 93 HA PRO 93 4.225 -15.454 -20.662 672 1HB PRO 93 2HB PRO 93 5.265 -16.045 -23.120 673 2HB PRO 93 1HB PRO 93 5.213 -14.398 -22.461 674 1HG PRO 93 2HG PRO 93 7.491 -16.295 -22.635 675 2HG PRO 93 1HG PRO 93 7.472 -14.532 -22.789 676 1HD PRO 93 2HD PRO 93 8.275 -15.894 -20.536 677 2HD PRO 93 1HD PRO 93 7.710 -14.213 -20.542 678 H ALA 94 H ALA 94 3.734 -17.454 -19.453 679 HA ALA 94 HA ALA 94 4.767 -20.007 -20.526 680 1HB ALA 94 1HB ALA 94 2.585 -19.879 -18.513 681 2HB ALA 94 2HB ALA 94 4.109 -19.120 -18.056 682 3HB ALA 94 3HB ALA 94 4.071 -20.827 -18.496 Start of MODEL 18 1 1H ASN 1 1H ASN 1 -6.250 15.256 6.076 2 2H ASN 1 2H ASN 1 -5.236 15.845 7.305 3 3H ASN 1 3H ASN 1 -6.153 14.437 7.557 4 HA ASN 1 HA ASN 1 -3.912 14.727 5.617 5 1HB ASN 1 2HB ASN 1 -2.742 13.315 7.229 6 2HB ASN 1 1HB ASN 1 -3.379 14.732 8.066 7 1HD2 ASN 1 1HD2 ASN 1 -2.866 11.812 8.982 8 2HD2 ASN 1 2HD2 ASN 1 -4.329 11.364 9.716 9 H ILE 2 H ILE 2 -3.209 12.134 5.453 10 HA ILE 2 HA ILE 2 -5.676 10.791 4.410 11 HB ILE 2 HB ILE 2 -3.783 11.506 2.870 12 1HG1 ILE 2 2HG1 ILE 2 -3.975 8.516 2.810 13 2HG1 ILE 2 1HG1 ILE 2 -5.463 9.451 2.659 14 1HG2 ILE 2 1HG2 ILE 2 -1.780 10.022 2.898 15 2HG2 ILE 2 2HG2 ILE 2 -2.374 9.287 4.387 16 3HG2 ILE 2 3HG2 ILE 2 -1.916 10.990 4.366 17 1HD1 ILE 2 1HD1 ILE 2 -4.024 10.824 0.901 18 2HD1 ILE 2 2HD1 ILE 2 -4.838 9.333 0.432 19 3HD1 ILE 2 3HD1 ILE 2 -3.117 9.316 0.808 20 H ASP 3 H ASP 3 -5.462 8.323 4.440 21 HA ASP 3 HA ASP 3 -5.024 7.409 7.144 22 1HB ASP 3 2HB ASP 3 -5.538 6.063 4.482 23 2HB ASP 3 1HB ASP 3 -5.511 5.187 6.013 24 H ARG 4 H ARG 4 -3.106 7.371 4.196 25 HA ARG 4 HA ARG 4 -0.827 6.825 3.875 26 1HB ARG 4 2HB ARG 4 -1.221 7.605 6.623 27 2HB ARG 4 1HB ARG 4 -0.005 6.331 6.546 28 1HG ARG 4 2HG ARG 4 1.284 7.589 4.910 29 2HG ARG 4 1HG ARG 4 0.031 8.828 4.830 30 1HD ARG 4 2HD ARG 4 0.912 8.331 7.582 31 2HD ARG 4 1HD ARG 4 2.226 8.894 6.530 32 HE ARG 4 HE ARG 4 -0.218 10.384 6.071 33 1HH1 ARG 4 1HH2 ARG 4 2.412 11.693 5.953 34 2HH1 ARG 4 2HH2 ARG 4 2.467 12.600 7.429 35 1HH2 ARG 4 1HH1 ARG 4 -0.113 10.829 8.922 36 2HH2 ARG 4 2HH1 ARG 4 1.035 12.111 9.109 37 HA PRO 5 HA PRO 5 -1.729 2.403 4.202 38 1HB PRO 5 2HB PRO 5 -0.344 1.724 1.936 39 2HB PRO 5 1HB PRO 5 -2.015 2.328 1.907 40 1HG PRO 5 2HG PRO 5 0.530 3.778 1.359 41 2HG PRO 5 1HG PRO 5 -1.044 3.913 0.556 42 1HD PRO 5 2HD PRO 5 -0.147 5.714 2.399 43 2HD PRO 5 1HD PRO 5 -1.869 5.368 2.128 44 H LYS 6 H LYS 6 0.119 0.528 3.727 45 HA LYS 6 HA LYS 6 2.854 1.172 4.251 46 1HB LYS 6 2HB LYS 6 2.027 2.058 6.334 47 2HB LYS 6 1HB LYS 6 1.053 0.617 6.621 48 1HG LYS 6 2HG LYS 6 2.784 -0.335 7.682 49 2HG LYS 6 1HG LYS 6 3.738 -0.231 6.203 50 1HD LYS 6 2HD LYS 6 4.142 2.239 6.869 51 2HD LYS 6 1HD LYS 6 3.571 1.756 8.468 52 1HE LYS 6 2HE LYS 6 5.573 -0.087 7.312 53 2HE LYS 6 1HE LYS 6 6.186 1.543 7.659 54 1HZ LYS 6 1HZ LYS 6 4.802 1.253 9.817 55 2HZ LYS 6 2HZ LYS 6 6.347 0.552 9.716 56 3HZ LYS 6 3HZ LYS 6 4.959 -0.403 9.493 57 H GLY 7 H GLY 7 0.204 -1.139 4.408 58 1HA GLY 7 2HA GLY 7 2.194 -3.362 4.221 59 2HA GLY 7 1HA GLY 7 0.580 -3.555 4.908 60 H LEU 8 H LEU 8 2.426 -3.767 2.049 61 HA LEU 8 HA LEU 8 0.021 -3.694 0.296 62 1HB LEU 8 2HB LEU 8 1.619 -2.579 -0.909 63 2HB LEU 8 1HB LEU 8 2.922 -3.207 0.095 64 HG LEU 8 HG LEU 8 2.697 -5.399 -1.157 65 1HD1 LEU 8 1HD1 LEU 8 1.293 -3.869 -3.318 66 2HD1 LEU 8 2HD1 LEU 8 0.327 -4.542 -2.004 67 3HD1 LEU 8 3HD1 LEU 8 1.312 -5.605 -3.009 68 1HD2 LEU 8 1HD2 LEU 8 4.367 -3.518 -1.656 69 2HD2 LEU 8 2HD2 LEU 8 3.306 -3.075 -2.994 70 3HD2 LEU 8 3HD2 LEU 8 4.069 -4.665 -2.962 71 H ALA 9 H ALA 9 -0.668 -5.598 -0.789 72 HA ALA 9 HA ALA 9 0.740 -8.132 -0.002 73 1HB ALA 9 1HB ALA 9 -2.223 -7.631 -0.394 74 2HB ALA 9 2HB ALA 9 -1.414 -7.666 1.172 75 3HB ALA 9 3HB ALA 9 -1.485 -9.125 0.183 76 H PHE 10 H PHE 10 -0.146 -9.987 -1.544 77 HA PHE 10 HA PHE 10 -0.369 -8.951 -4.345 78 1HB PHE 10 2HB PHE 10 1.584 -10.925 -3.144 79 2HB PHE 10 1HB PHE 10 1.290 -10.839 -4.882 80 HD1 PHE 10 HD1 PHE 10 1.931 -8.859 -6.181 81 HD2 PHE 10 HD2 PHE 10 2.695 -9.101 -1.960 82 HE1 PHE 10 HE1 PHE 10 3.469 -6.919 -6.347 83 HE2 PHE 10 HE2 PHE 10 4.230 -7.162 -2.127 84 HZ PHE 10 HZ PHE 10 4.620 -6.072 -4.320 85 H THR 11 H THR 11 -2.276 -9.789 -5.098 86 HA THR 11 HA THR 11 -3.496 -12.168 -3.953 87 HB THR 11 HB THR 11 -4.300 -10.860 -6.534 88 HG1 THR 11 HG1 THR 11 -4.789 -9.756 -3.976 89 1HG2 THR 11 1HG2 THR 11 -5.800 -11.831 -4.092 90 2HG2 THR 11 2HG2 THR 11 -5.654 -12.690 -5.625 91 3HG2 THR 11 3HG2 THR 11 -6.541 -11.169 -5.547 92 H ASP 12 H ASP 12 -2.786 -11.509 -7.409 93 HA ASP 12 HA ASP 12 -1.614 -14.242 -7.627 94 1HB ASP 12 2HB ASP 12 -4.163 -13.930 -8.189 95 2HB ASP 12 1HB ASP 12 -3.551 -13.201 -9.675 96 H VAL 13 H VAL 13 0.391 -13.933 -8.507 97 HA VAL 13 HA VAL 13 0.903 -11.564 -10.204 98 HB VAL 13 HB VAL 13 2.443 -12.099 -8.402 99 1HG1 VAL 13 1HG1 VAL 13 2.136 -14.410 -8.014 100 2HG1 VAL 13 2HG1 VAL 13 3.768 -14.309 -8.674 101 3HG1 VAL 13 3HG1 VAL 13 2.431 -14.822 -9.702 102 1HG2 VAL 13 1HG2 VAL 13 4.439 -12.910 -10.121 103 2HG2 VAL 13 2HG2 VAL 13 3.900 -11.243 -9.919 104 3HG2 VAL 13 3HG2 VAL 13 3.249 -12.227 -11.229 105 H ASP 14 H ASP 14 1.156 -11.695 -12.406 106 HA ASP 14 HA ASP 14 1.533 -14.383 -13.655 107 1HB ASP 14 2HB ASP 14 -0.905 -13.236 -13.430 108 2HB ASP 14 1HB ASP 14 -0.364 -12.473 -14.923 109 H VAL 15 H VAL 15 3.028 -14.288 -15.304 110 HA VAL 15 HA VAL 15 4.761 -12.233 -15.856 111 HB VAL 15 HB VAL 15 5.096 -14.392 -16.794 112 1HG1 VAL 15 1HG1 VAL 15 3.073 -14.588 -18.794 113 2HG1 VAL 15 2HG1 VAL 15 2.286 -14.241 -17.258 114 3HG1 VAL 15 3HG1 VAL 15 3.342 -15.644 -17.410 115 1HG2 VAL 15 1HG2 VAL 15 5.055 -12.095 -18.448 116 2HG2 VAL 15 2HG2 VAL 15 4.432 -13.429 -19.417 117 3HG2 VAL 15 3HG2 VAL 15 6.019 -13.554 -18.660 118 H ASP 16 H ASP 16 1.454 -12.557 -17.021 119 HA ASP 16 HA ASP 16 1.704 -9.860 -18.313 120 1HB ASP 16 2HB ASP 16 0.026 -10.814 -19.972 121 2HB ASP 16 1HB ASP 16 1.629 -11.549 -20.035 122 H SER 17 H SER 17 0.786 -10.513 -15.602 123 HA SER 17 HA SER 17 -1.628 -8.995 -15.479 124 1HB SER 17 2HB SER 17 -2.974 -10.636 -16.315 125 2HB SER 17 1HB SER 17 -1.800 -11.901 -15.973 126 HG SER 17 HG SER 17 -3.891 -10.940 -14.453 127 H ILE 18 H ILE 18 -0.763 -8.051 -13.620 128 HA ILE 18 HA ILE 18 -0.088 -9.878 -11.351 129 HB ILE 18 HB ILE 18 0.647 -6.996 -11.932 130 1HG1 ILE 18 2HG1 ILE 18 1.599 -8.801 -13.462 131 2HG1 ILE 18 1HG1 ILE 18 2.799 -7.842 -12.595 132 1HG2 ILE 18 1HG2 ILE 18 1.249 -6.933 -9.762 133 2HG2 ILE 18 2HG2 ILE 18 2.435 -8.192 -10.109 134 3HG2 ILE 18 3HG2 ILE 18 0.821 -8.632 -9.549 135 1HD1 ILE 18 1HD1 ILE 18 1.895 -10.181 -11.079 136 2HD1 ILE 18 2HD1 ILE 18 3.536 -9.632 -11.424 137 3HD1 ILE 18 3HD1 ILE 18 2.665 -10.606 -12.608 138 H LYS 19 H LYS 19 -1.769 -10.043 -9.941 139 HA LYS 19 HA LYS 19 -3.651 -7.769 -9.604 140 1HB LYS 19 2HB LYS 19 -3.563 -10.708 -9.033 141 2HB LYS 19 1HB LYS 19 -4.640 -9.708 -8.056 142 1HG LYS 19 2HG LYS 19 -6.067 -9.342 -9.787 143 2HG LYS 19 1HG LYS 19 -4.752 -9.141 -10.947 144 1HD LYS 19 2HD LYS 19 -5.570 -11.147 -11.717 145 2HD LYS 19 1HD LYS 19 -4.481 -11.770 -10.476 146 1HE LYS 19 2HE LYS 19 -7.187 -11.023 -9.511 147 2HE LYS 19 1HE LYS 19 -7.115 -12.434 -10.585 148 1HZ LYS 19 1HZ LYS 19 -4.993 -12.256 -8.618 149 2HZ LYS 19 2HZ LYS 19 -5.894 -13.606 -9.124 150 3HZ LYS 19 3HZ LYS 19 -6.538 -12.535 -7.974 151 H ILE 20 H ILE 20 -2.903 -6.274 -8.112 152 HA ILE 20 HA ILE 20 -1.524 -7.350 -5.672 153 HB ILE 20 HB ILE 20 -0.361 -5.218 -5.636 154 1HG1 ILE 20 2HG1 ILE 20 -2.600 -4.459 -7.399 155 2HG1 ILE 20 1HG1 ILE 20 -1.577 -3.436 -6.398 156 1HG2 ILE 20 1HG2 ILE 20 0.475 -7.044 -7.116 157 2HG2 ILE 20 2HG2 ILE 20 0.882 -5.445 -7.739 158 3HG2 ILE 20 3HG2 ILE 20 -0.448 -6.357 -8.453 159 1HD1 ILE 20 1HD1 ILE 20 -1.157 -4.319 -9.249 160 2HD1 ILE 20 2HD1 ILE 20 0.229 -3.869 -8.253 161 3HD1 ILE 20 3HD1 ILE 20 -1.052 -2.698 -8.561 162 H ALA 21 H ALA 21 -2.115 -6.510 -3.650 163 HA ALA 21 HA ALA 21 -4.595 -4.826 -3.581 164 1HB ALA 21 1HB ALA 21 -4.612 -7.440 -3.102 165 2HB ALA 21 2HB ALA 21 -5.568 -6.343 -2.104 166 3HB ALA 21 3HB ALA 21 -4.007 -6.929 -1.527 167 H TRP 22 H TRP 22 -4.085 -2.931 -2.555 168 HA TRP 22 HA TRP 22 -1.805 -2.918 -0.627 169 1HB TRP 22 2HB TRP 22 -2.048 -0.425 -0.971 170 2HB TRP 22 1HB TRP 22 -1.708 -1.330 -2.447 171 HD1 TRP 22 HD1 TRP 22 -4.522 0.506 -0.630 172 HE1 TRP 22 HE1 TRP 22 -6.410 1.006 -2.316 173 HE3 TRP 22 HE3 TRP 22 -2.796 -2.084 -4.679 174 HZ2 TRP 22 HZ2 TRP 22 -7.087 0.394 -5.018 175 HZ3 TRP 22 HZ3 TRP 22 -4.085 -2.098 -6.796 176 HH2 TRP 22 HH2 TRP 22 -6.224 -0.854 -6.965 177 H GLU 23 H GLU 23 -2.058 -1.993 1.477 178 HA GLU 23 HA GLU 23 -4.188 -2.677 3.076 179 1HB GLU 23 2HB GLU 23 -1.913 -1.534 3.568 180 2HB GLU 23 1HB GLU 23 -2.787 -0.017 3.361 181 1HG GLU 23 2HG GLU 23 -4.354 -1.715 5.044 182 2HG GLU 23 1HG GLU 23 -2.704 -1.697 5.668 183 H SER 24 H SER 24 -6.347 -2.255 2.776 184 HA SER 24 HA SER 24 -7.479 -0.259 1.130 185 1HB SER 24 2HB SER 24 -9.534 -0.806 2.371 186 2HB SER 24 1HB SER 24 -8.606 -2.271 2.058 187 HG SER 24 HG SER 24 -8.143 -2.428 4.132 188 HA PRO 25 HA PRO 25 -7.099 3.446 3.449 189 1HB PRO 25 2HB PRO 25 -9.369 4.769 2.692 190 2HB PRO 25 1HB PRO 25 -7.971 4.550 1.619 191 1HG PRO 25 2HG PRO 25 -10.546 3.060 1.697 192 2HG PRO 25 1HG PRO 25 -9.570 3.557 0.306 193 1HD PRO 25 2HD PRO 25 -9.590 1.011 1.312 194 2HD PRO 25 1HD PRO 25 -8.216 1.715 0.431 195 H GLN 26 H GLN 26 -8.858 4.981 4.778 196 HA GLN 26 HA GLN 26 -10.414 3.117 6.535 197 1HB GLN 26 2HB GLN 26 -8.642 5.469 7.259 198 2HB GLN 26 1HB GLN 26 -9.609 4.550 8.414 199 1HG GLN 26 2HG GLN 26 -7.888 2.912 6.658 200 2HG GLN 26 1HG GLN 26 -7.023 3.953 7.789 201 1HE2 GLN 26 1HE2 GLN 26 -6.375 2.183 9.187 202 2HE2 GLN 26 2HE2 GLN 26 -7.498 1.333 10.135 203 H GLY 27 H GLY 27 -9.956 6.563 5.722 204 1HA GLY 27 2HA GLY 27 -12.803 7.062 6.406 205 2HA GLY 27 1HA GLY 27 -11.583 8.304 6.125 206 H GLN 28 H GLN 28 -11.265 9.062 4.030 207 HA GLN 28 HA GLN 28 -12.561 7.652 1.763 208 1HB GLN 28 2HB GLN 28 -14.200 9.186 3.004 209 2HB GLN 28 1HB GLN 28 -13.216 10.529 2.422 210 1HG GLN 28 2HG GLN 28 -15.062 10.153 0.871 211 2HG GLN 28 1HG GLN 28 -13.542 9.716 0.090 212 1HE2 GLN 28 1HE2 GLN 28 -16.439 8.337 1.656 213 2HE2 GLN 28 2HE2 GLN 28 -16.263 6.788 0.988 214 H VAL 29 H VAL 29 -10.710 7.558 0.491 215 HA VAL 29 HA VAL 29 -8.824 9.803 0.383 216 HB VAL 29 HB VAL 29 -8.358 7.278 0.363 217 1HG1 VAL 29 1HG1 VAL 29 -8.727 6.036 -1.574 218 2HG1 VAL 29 2HG1 VAL 29 -8.815 7.470 -2.598 219 3HG1 VAL 29 3HG1 VAL 29 -10.165 7.056 -1.541 220 1HG2 VAL 29 1HG2 VAL 29 -6.707 9.056 -0.212 221 2HG2 VAL 29 2HG2 VAL 29 -7.209 8.930 -1.897 222 3HG2 VAL 29 3HG2 VAL 29 -6.440 7.558 -1.101 223 H SER 30 H SER 30 -8.260 10.838 -1.692 224 HA SER 30 HA SER 30 -10.634 11.488 -3.296 225 1HB SER 30 2HB SER 30 -8.654 12.970 -2.425 226 2HB SER 30 1HB SER 30 -7.804 12.363 -3.844 227 HG SER 30 HG SER 30 -9.100 14.377 -4.052 228 H ARG 31 H ARG 31 -7.440 9.981 -3.880 229 HA ARG 31 HA ARG 31 -8.536 8.278 -5.990 230 1HB ARG 31 2HB ARG 31 -7.675 10.898 -6.607 231 2HB ARG 31 1HB ARG 31 -6.415 9.815 -7.200 232 1HG ARG 31 2HG ARG 31 -7.714 9.301 -8.959 233 2HG ARG 31 1HG ARG 31 -8.903 8.615 -7.850 234 1HD ARG 31 2HD ARG 31 -9.856 10.920 -7.523 235 2HD ARG 31 1HD ARG 31 -8.753 11.498 -8.789 236 HE ARG 31 HE ARG 31 -9.840 9.613 -10.216 237 1HH1 ARG 31 1HH1 ARG 31 -11.618 9.602 -7.496 238 2HH1 ARG 31 2HH1 ARG 31 -13.109 10.143 -8.195 239 1HH2 ARG 31 1HH2 ARG 31 -11.666 11.069 -11.208 240 2HH2 ARG 31 2HH2 ARG 31 -13.136 10.979 -10.292 241 H TYR 32 H TYR 32 -6.821 6.814 -6.856 242 HA TYR 32 HA TYR 32 -4.497 6.615 -4.968 243 1HB TYR 32 2HB TYR 32 -6.581 4.794 -5.828 244 2HB TYR 32 1HB TYR 32 -4.990 4.134 -6.216 245 HD1 TYR 32 HD1 TYR 32 -7.228 5.247 -3.515 246 HD2 TYR 32 HD2 TYR 32 -3.362 3.638 -4.463 247 HE1 TYR 32 HE1 TYR 32 -6.884 4.678 -1.128 248 HE2 TYR 32 HE2 TYR 32 -3.018 3.061 -2.075 249 HH TYR 32 HH TYR 32 -5.406 3.968 0.396 250 H ARG 33 H ARG 33 -2.790 7.495 -6.143 251 HA ARG 33 HA ARG 33 -2.552 7.207 -9.028 252 1HB ARG 33 2HB ARG 33 -1.687 9.007 -7.302 253 2HB ARG 33 1HB ARG 33 -0.298 7.928 -7.178 254 1HG ARG 33 2HG ARG 33 0.080 8.061 -9.582 255 2HG ARG 33 1HG ARG 33 -1.379 9.034 -9.785 256 1HD ARG 33 2HD ARG 33 -0.163 10.585 -7.975 257 2HD ARG 33 1HD ARG 33 1.281 9.831 -8.682 258 HE ARG 33 HE ARG 33 -0.764 11.365 -10.233 259 1HH1 ARG 33 1HH1 ARG 33 0.556 9.377 -11.953 260 2HH1 ARG 33 2HH1 ARG 33 1.963 10.216 -12.518 261 1HH2 ARG 33 1HH2 ARG 33 1.815 12.665 -10.067 262 2HH2 ARG 33 2HH2 ARG 33 2.674 12.077 -11.452 263 H VAL 34 H VAL 34 -2.254 5.081 -9.722 264 HA VAL 34 HA VAL 34 -0.352 3.317 -8.278 265 HB VAL 34 HB VAL 34 -2.247 2.962 -10.620 266 1HG1 VAL 34 1HG1 VAL 34 -1.738 0.455 -9.973 267 2HG1 VAL 34 2HG1 VAL 34 -0.229 1.132 -9.359 268 3HG1 VAL 34 3HG1 VAL 34 -0.652 1.321 -11.060 269 1HG2 VAL 34 1HG2 VAL 34 -2.311 2.142 -7.703 270 2HG2 VAL 34 2HG2 VAL 34 -3.413 1.485 -8.914 271 3HG2 VAL 34 3HG2 VAL 34 -3.439 3.209 -8.541 272 H THR 35 H THR 35 1.779 3.421 -8.891 273 HA THR 35 HA THR 35 2.378 3.904 -11.790 274 HB THR 35 HB THR 35 4.484 4.923 -10.192 275 HG1 THR 35 HG1 THR 35 2.159 6.223 -9.393 276 1HG2 THR 35 1HG2 THR 35 2.237 6.431 -11.548 277 2HG2 THR 35 2HG2 THR 35 3.625 5.748 -12.395 278 3HG2 THR 35 3HG2 THR 35 3.860 7.033 -11.210 279 H TYR 36 H TYR 36 4.141 2.729 -12.612 280 HA TYR 36 HA TYR 36 5.543 0.870 -10.734 281 1HB TYR 36 2HB TYR 36 5.321 -0.607 -13.046 282 2HB TYR 36 1HB TYR 36 4.225 -0.759 -11.678 283 HD1 TYR 36 HD1 TYR 36 4.467 -0.064 -15.154 284 HD2 TYR 36 HD2 TYR 36 2.188 0.911 -11.645 285 HE1 TYR 36 HE1 TYR 36 2.584 0.682 -16.584 286 HE2 TYR 36 HE2 TYR 36 0.305 1.657 -13.076 287 HH TYR 36 HH TYR 36 0.104 0.945 -16.366 288 H SER 37 H SER 37 7.750 0.575 -11.234 289 HA SER 37 HA SER 37 8.688 2.059 -13.653 290 1HB SER 37 2HB SER 37 10.479 1.990 -11.338 291 2HB SER 37 1HB SER 37 10.020 3.350 -12.357 292 HG SER 37 HG SER 37 9.192 3.565 -10.244 293 H SER 38 H SER 38 10.717 1.393 -14.540 294 HA SER 38 HA SER 38 11.527 -1.406 -13.844 295 1HB SER 38 2HB SER 38 10.350 -0.359 -16.181 296 2HB SER 38 1HB SER 38 12.050 -0.597 -16.582 297 HG SER 38 HG SER 38 11.788 -2.689 -16.417 298 HA PRO 39 HA PRO 39 15.357 0.792 -13.268 299 1HB PRO 39 2HB PRO 39 16.866 -1.381 -12.578 300 2HB PRO 39 1HB PRO 39 15.743 -0.582 -11.460 301 1HG PRO 39 2HG PRO 39 15.390 -3.089 -13.024 302 2HG PRO 39 1HG PRO 39 14.848 -2.693 -11.386 303 1HD PRO 39 2HD PRO 39 13.207 -2.665 -13.578 304 2HD PRO 39 1HD PRO 39 12.932 -1.682 -12.122 305 H GLU 40 H GLU 40 14.864 0.621 -15.925 306 HA GLU 40 HA GLU 40 17.444 0.146 -17.097 307 1HB GLU 40 2HB GLU 40 17.094 -1.937 -18.188 308 2HB GLU 40 1HB GLU 40 16.506 -2.191 -16.548 309 1HG GLU 40 2HG GLU 40 14.197 -1.733 -17.310 310 2HG GLU 40 1HG GLU 40 14.795 -1.515 -18.955 311 H ASP 41 H ASP 41 13.943 0.056 -17.791 312 HA ASP 41 HA ASP 41 14.432 1.513 -20.336 313 1HB ASP 41 2HB ASP 41 12.672 -0.522 -19.406 314 2HB ASP 41 1HB ASP 41 11.682 0.887 -19.789 315 H GLY 42 H GLY 42 12.818 1.795 -17.209 316 1HA GLY 42 2HA GLY 42 13.007 4.327 -16.521 317 2HA GLY 42 1HA GLY 42 11.942 4.542 -17.908 318 H ILE 43 H ILE 43 10.073 5.207 -16.754 319 HA ILE 43 HA ILE 43 8.856 3.079 -15.066 320 HB ILE 43 HB ILE 43 9.991 4.875 -13.750 321 1HG1 ILE 43 2HG1 ILE 43 6.972 4.978 -13.480 322 2HG1 ILE 43 1HG1 ILE 43 7.939 3.615 -12.938 323 1HG2 ILE 43 1HG2 ILE 43 8.958 6.533 -15.675 324 2HG2 ILE 43 2HG2 ILE 43 9.579 7.075 -14.116 325 3HG2 ILE 43 3HG2 ILE 43 7.849 6.806 -14.331 326 1HD1 ILE 43 1HD1 ILE 43 9.326 5.447 -11.673 327 2HD1 ILE 43 2HD1 ILE 43 7.801 4.888 -10.988 328 3HD1 ILE 43 3HD1 ILE 43 7.863 6.416 -11.868 329 H HIS 44 H HIS 44 6.523 3.278 -14.825 330 HA HIS 44 HA HIS 44 5.185 4.879 -16.976 331 1HB HIS 44 2HB HIS 44 5.148 1.974 -16.282 332 2HB HIS 44 1HB HIS 44 3.615 2.693 -16.775 333 HD1 HIS 44 HD1 HIS 44 3.239 2.691 -19.234 334 HD2 HIS 44 HD2 HIS 44 7.306 2.730 -18.314 335 HE1 HIS 44 HE1 HIS 44 4.475 2.607 -21.445 336 H GLU 45 H GLU 45 2.640 4.798 -16.376 337 HA GLU 45 HA GLU 45 2.250 4.835 -13.428 338 1HB GLU 45 2HB GLU 45 1.334 7.177 -13.650 339 2HB GLU 45 1HB GLU 45 3.068 7.049 -13.953 340 1HG GLU 45 2HG GLU 45 1.639 6.572 -16.406 341 2HG GLU 45 1HG GLU 45 1.092 8.090 -15.695 342 H LEU 46 H LEU 46 -0.103 5.290 -12.906 343 HA LEU 46 HA LEU 46 -2.064 4.863 -15.061 344 1HB LEU 46 2HB LEU 46 -0.933 2.633 -14.279 345 2HB LEU 46 1HB LEU 46 -1.936 2.830 -12.840 346 HG LEU 46 HG LEU 46 -3.922 3.111 -14.421 347 1HD1 LEU 46 1HD1 LEU 46 -1.743 2.832 -16.322 348 2HD1 LEU 46 2HD1 LEU 46 -3.417 3.310 -16.607 349 3HD1 LEU 46 3HD1 LEU 46 -2.979 1.603 -16.588 350 1HD2 LEU 46 1HD2 LEU 46 -3.123 0.964 -13.167 351 2HD2 LEU 46 2HD2 LEU 46 -2.613 0.418 -14.765 352 3HD2 LEU 46 3HD2 LEU 46 -4.310 0.790 -14.462 353 H PHE 47 H PHE 47 -4.274 5.146 -14.227 354 HA PHE 47 HA PHE 47 -4.438 6.151 -11.413 355 1HB PHE 47 2HB PHE 47 -4.239 7.748 -13.658 356 2HB PHE 47 1HB PHE 47 -5.983 7.655 -13.415 357 HD1 PHE 47 HD1 PHE 47 -3.279 7.518 -10.843 358 HD2 PHE 47 HD2 PHE 47 -6.527 9.776 -12.519 359 HE1 PHE 47 HE1 PHE 47 -3.107 9.152 -8.981 360 HE2 PHE 47 HE2 PHE 47 -6.356 11.406 -10.658 361 HZ PHE 47 HZ PHE 47 -4.647 11.095 -8.890 362 HA PRO 48 HA PRO 48 -8.128 3.671 -12.835 363 1HB PRO 48 2HB PRO 48 -7.587 1.238 -11.725 364 2HB PRO 48 1HB PRO 48 -7.066 1.688 -13.361 365 1HG PRO 48 2HG PRO 48 -5.481 1.447 -10.887 366 2HG PRO 48 1HG PRO 48 -4.975 1.295 -12.575 367 1HD PRO 48 2HD PRO 48 -4.601 3.538 -10.882 368 2HD PRO 48 1HD PRO 48 -4.289 3.446 -12.627 369 H ALA 49 H ALA 49 -8.630 5.358 -11.058 370 HA ALA 49 HA ALA 49 -8.568 5.065 -8.329 371 1HB ALA 49 1HB ALA 49 -10.496 6.450 -8.347 372 2HB ALA 49 2HB ALA 49 -11.106 5.712 -9.828 373 3HB ALA 49 3HB ALA 49 -9.702 6.779 -9.888 374 HA PRO 50 HA PRO 50 -10.604 1.239 -7.493 375 1HB PRO 50 2HB PRO 50 -11.078 1.610 -4.828 376 2HB PRO 50 1HB PRO 50 -9.470 1.237 -5.482 377 1HG PRO 50 2HG PRO 50 -10.589 3.842 -4.589 378 2HG PRO 50 1HG PRO 50 -8.944 3.208 -4.438 379 1HD PRO 50 2HD PRO 50 -9.720 5.052 -6.325 380 2HD PRO 50 1HD PRO 50 -8.328 3.962 -6.504 381 H ASP 51 H ASP 51 -12.684 0.691 -5.898 382 HA ASP 51 HA ASP 51 -14.839 2.598 -6.750 383 1HB ASP 51 2HB ASP 51 -14.718 0.463 -8.010 384 2HB ASP 51 1HB ASP 51 -14.875 -0.424 -6.491 385 H GLY 52 H GLY 52 -14.097 0.002 -4.379 386 1HA GLY 52 2HA GLY 52 -14.467 1.282 -2.001 387 2HA GLY 52 1HA GLY 52 -16.133 1.044 -2.533 388 H GLU 53 H GLU 53 -15.061 -1.524 -3.926 389 HA GLU 53 HA GLU 53 -15.010 -3.215 -1.459 390 1HB GLU 53 2HB GLU 53 -16.746 -3.119 -3.813 391 2HB GLU 53 1HB GLU 53 -16.112 -4.735 -3.500 392 1HG GLU 53 2HG GLU 53 -17.051 -3.280 -1.102 393 2HG GLU 53 1HG GLU 53 -18.313 -3.708 -2.259 394 H GLU 54 H GLU 54 -12.928 -2.167 -3.581 395 HA GLU 54 HA GLU 54 -11.421 -4.709 -3.698 396 1HB GLU 54 2HB GLU 54 -12.465 -3.173 -6.087 397 2HB GLU 54 1HB GLU 54 -11.138 -4.330 -6.213 398 1HG GLU 54 2HG GLU 54 -12.804 -5.922 -4.926 399 2HG GLU 54 1HG GLU 54 -14.025 -4.825 -5.572 400 H ASP 55 H ASP 55 -9.740 -3.736 -2.509 401 HA ASP 55 HA ASP 55 -8.633 -1.144 -3.421 402 1HB ASP 55 2HB ASP 55 -8.455 -2.946 -1.042 403 2HB ASP 55 1HB ASP 55 -7.098 -1.860 -1.348 404 H THR 56 H THR 56 -8.373 -3.570 -5.120 405 HA THR 56 HA THR 56 -5.387 -3.914 -5.029 406 HB THR 56 HB THR 56 -5.868 -6.081 -6.135 407 HG1 THR 56 HG1 THR 56 -7.830 -6.549 -6.788 408 1HG2 THR 56 1HG2 THR 56 -6.398 -5.352 -3.490 409 2HG2 THR 56 2HG2 THR 56 -6.149 -6.990 -4.097 410 3HG2 THR 56 3HG2 THR 56 -7.781 -6.337 -3.969 411 H ALA 57 H ALA 57 -4.614 -4.553 -7.418 412 HA ALA 57 HA ALA 57 -6.001 -2.773 -9.393 413 1HB ALA 57 1HB ALA 57 -3.488 -2.347 -10.081 414 2HB ALA 57 2HB ALA 57 -3.162 -2.881 -8.431 415 3HB ALA 57 3HB ALA 57 -4.186 -1.473 -8.716 416 H GLU 58 H GLU 58 -5.921 -3.481 -11.547 417 HA GLU 58 HA GLU 58 -4.984 -6.293 -11.966 418 1HB GLU 58 2HB GLU 58 -7.399 -5.198 -12.369 419 2HB GLU 58 1HB GLU 58 -6.663 -4.781 -13.918 420 1HG GLU 58 2HG GLU 58 -7.403 -6.875 -14.485 421 2HG GLU 58 1HG GLU 58 -5.874 -7.351 -13.745 422 H LEU 59 H LEU 59 -2.722 -5.422 -12.200 423 HA LEU 59 HA LEU 59 -2.138 -3.723 -14.514 424 1HB LEU 59 2HB LEU 59 -0.644 -5.132 -12.321 425 2HB LEU 59 1HB LEU 59 0.251 -4.573 -13.734 426 HG LEU 59 HG LEU 59 -1.561 -2.828 -12.039 427 1HD1 LEU 59 1HD1 LEU 59 0.271 -3.160 -10.641 428 2HD1 LEU 59 2HD1 LEU 59 0.818 -1.775 -11.587 429 3HD1 LEU 59 3HD1 LEU 59 1.387 -3.396 -11.988 430 1HD2 LEU 59 1HD2 LEU 59 -1.417 -2.026 -14.331 431 2HD2 LEU 59 2HD2 LEU 59 0.333 -2.238 -14.338 432 3HD2 LEU 59 3HD2 LEU 59 -0.401 -0.997 -13.323 433 H GLN 60 H GLN 60 -2.974 -4.968 -16.248 434 HA GLN 60 HA GLN 60 -1.735 -7.640 -16.662 435 1HB GLN 60 2HB GLN 60 -4.101 -6.365 -18.036 436 2HB GLN 60 1HB GLN 60 -3.691 -8.076 -17.987 437 1HG GLN 60 2HG GLN 60 -4.363 -8.312 -15.746 438 2HG GLN 60 1HG GLN 60 -4.182 -6.590 -15.407 439 1HE2 GLN 60 1HE2 GLN 60 -5.830 -5.111 -16.416 440 2HE2 GLN 60 2HE2 GLN 60 -7.380 -5.715 -16.758 441 H GLY 61 H GLY 61 -0.173 -7.816 -18.193 442 1HA GLY 61 2HA GLY 61 0.484 -7.445 -20.560 443 2HA GLY 61 1HA GLY 61 -0.115 -5.792 -20.393 444 H LEU 62 H LEU 62 2.099 -7.875 -18.484 445 HA LEU 62 HA LEU 62 3.981 -5.538 -18.359 446 1HB LEU 62 2HB LEU 62 3.908 -7.938 -16.528 447 2HB LEU 62 1HB LEU 62 4.568 -6.336 -16.200 448 HG LEU 62 HG LEU 62 1.637 -7.048 -16.538 449 1HD1 LEU 62 1HD1 LEU 62 2.444 -5.630 -14.133 450 2HD1 LEU 62 2HD1 LEU 62 3.325 -7.147 -14.307 451 3HD1 LEU 62 3HD1 LEU 62 1.562 -7.146 -14.292 452 1HD2 LEU 62 1HD2 LEU 62 2.188 -4.378 -15.554 453 2HD2 LEU 62 2HD2 LEU 62 1.210 -4.868 -16.939 454 3HD2 LEU 62 3HD2 LEU 62 2.944 -4.616 -17.130 455 H ARG 63 H ARG 63 6.299 -6.696 -17.627 456 HA ARG 63 HA ARG 63 7.161 -8.112 -20.062 457 1HB ARG 63 2HB ARG 63 8.326 -6.669 -17.741 458 2HB ARG 63 1HB ARG 63 9.344 -7.914 -18.460 459 1HG ARG 63 2HG ARG 63 7.958 -5.886 -20.201 460 2HG ARG 63 1HG ARG 63 9.487 -5.496 -19.414 461 1HD ARG 63 2HD ARG 63 10.360 -7.720 -20.421 462 2HD ARG 63 1HD ARG 63 8.938 -7.631 -21.477 463 HE ARG 63 HE ARG 63 9.747 -5.388 -22.214 464 1HH1 ARG 63 1HH1 ARG 63 11.850 -7.749 -22.506 465 2HH1 ARG 63 2HH1 ARG 63 13.300 -6.858 -22.188 466 1HH2 ARG 63 1HH2 ARG 63 11.638 -4.087 -20.932 467 2HH2 ARG 63 2HH2 ARG 63 13.181 -4.784 -21.300 468 HA PRO 64 HA PRO 64 7.030 -12.074 -18.121 469 1HB PRO 64 2HB PRO 64 8.475 -13.461 -19.975 470 2HB PRO 64 1HB PRO 64 6.804 -12.929 -20.252 471 1HG PRO 64 2HG PRO 64 9.338 -11.812 -21.299 472 2HG PRO 64 1HG PRO 64 7.725 -11.835 -22.026 473 1HD PRO 64 2HD PRO 64 8.921 -9.645 -20.762 474 2HD PRO 64 1HD PRO 64 7.195 -9.812 -21.147 475 H GLY 65 H GLY 65 8.300 -12.119 -16.254 476 1HA GLY 65 2HA GLY 65 10.191 -12.775 -14.993 477 2HA GLY 65 1HA GLY 65 11.057 -13.043 -16.508 478 H SER 66 H SER 66 9.827 -10.398 -14.446 479 HA SER 66 HA SER 66 12.369 -8.951 -14.820 480 1HB SER 66 2HB SER 66 9.858 -8.380 -16.253 481 2HB SER 66 1HB SER 66 10.595 -6.972 -15.492 482 HG SER 66 HG SER 66 11.293 -7.647 -17.718 483 H GLU 67 H GLU 67 12.817 -8.080 -12.839 484 HA GLU 67 HA GLU 67 11.059 -8.068 -10.615 485 1HB GLU 67 2HB GLU 67 13.545 -7.908 -10.596 486 2HB GLU 67 1HB GLU 67 13.422 -6.266 -11.230 487 1HG GLU 67 2HG GLU 67 12.002 -5.694 -9.215 488 2HG GLU 67 1HG GLU 67 12.412 -7.280 -8.561 489 H TYR 68 H TYR 68 9.043 -7.113 -11.346 490 HA TYR 68 HA TYR 68 8.900 -4.447 -12.456 491 1HB TYR 68 2HB TYR 68 7.265 -6.619 -12.214 492 2HB TYR 68 1HB TYR 68 6.593 -5.558 -10.975 493 HD1 TYR 68 HD1 TYR 68 8.201 -4.800 -14.269 494 HD2 TYR 68 HD2 TYR 68 4.659 -4.575 -11.853 495 HE1 TYR 68 HE1 TYR 68 7.090 -3.447 -16.027 496 HE2 TYR 68 HE2 TYR 68 3.546 -3.222 -13.609 497 HH TYR 68 HH TYR 68 5.118 -1.675 -16.007 498 H THR 69 H THR 69 9.585 -2.710 -11.231 499 HA THR 69 HA THR 69 9.235 -2.705 -8.293 500 HB THR 69 HB THR 69 10.149 -0.209 -9.255 501 HG1 THR 69 HG1 THR 69 11.009 -0.631 -11.104 502 1HG2 THR 69 1HG2 THR 69 11.126 -1.165 -7.327 503 2HG2 THR 69 2HG2 THR 69 12.408 -1.221 -8.538 504 3HG2 THR 69 3HG2 THR 69 11.487 -2.677 -8.159 505 H VAL 70 H VAL 70 6.974 -2.478 -7.925 506 HA VAL 70 HA VAL 70 5.547 -0.313 -9.365 507 HB VAL 70 HB VAL 70 4.524 -2.325 -7.362 508 1HG1 VAL 70 1HG1 VAL 70 2.569 -1.275 -7.753 509 2HG1 VAL 70 2HG1 VAL 70 2.698 -1.729 -9.452 510 3HG1 VAL 70 3HG1 VAL 70 3.352 -0.188 -8.899 511 1HG2 VAL 70 1HG2 VAL 70 4.877 -3.943 -8.892 512 2HG2 VAL 70 2HG2 VAL 70 5.695 -2.774 -9.928 513 3HG2 VAL 70 3HG2 VAL 70 3.956 -3.024 -10.084 514 H SER 71 H SER 71 4.547 1.431 -8.301 515 HA SER 71 HA SER 71 5.271 1.811 -5.414 516 1HB SER 71 2HB SER 71 5.144 3.986 -7.503 517 2HB SER 71 1HB SER 71 5.915 4.050 -5.921 518 HG SER 71 HG SER 71 7.594 3.000 -6.692 519 H VAL 72 H VAL 72 3.387 1.940 -4.251 520 HA VAL 72 HA VAL 72 0.880 2.774 -5.626 521 HB VAL 72 HB VAL 72 1.601 1.431 -3.014 522 1HG1 VAL 72 1HG1 VAL 72 -0.735 3.028 -3.622 523 2HG1 VAL 72 2HG1 VAL 72 -0.311 2.212 -2.117 524 3HG1 VAL 72 3HG1 VAL 72 -1.193 1.344 -3.373 525 1HG2 VAL 72 1HG2 VAL 72 0.608 -0.488 -3.974 526 2HG2 VAL 72 2HG2 VAL 72 1.472 0.241 -5.328 527 3HG2 VAL 72 3HG2 VAL 72 -0.272 0.459 -5.175 528 H VAL 73 H VAL 73 -0.038 4.773 -5.240 529 HA VAL 73 HA VAL 73 0.805 6.288 -2.805 530 HB VAL 73 HB VAL 73 0.945 7.137 -5.705 531 1HG1 VAL 73 1HG1 VAL 73 1.828 9.280 -4.195 532 2HG1 VAL 73 2HG1 VAL 73 0.424 8.723 -3.285 533 3HG1 VAL 73 3HG1 VAL 73 0.251 9.176 -4.980 534 1HG2 VAL 73 1HG2 VAL 73 3.260 7.899 -4.664 535 2HG2 VAL 73 2HG2 VAL 73 3.012 6.226 -5.160 536 3HG2 VAL 73 3HG2 VAL 73 2.874 6.672 -3.462 537 H ALA 74 H ALA 74 -1.103 6.755 -1.779 538 HA ALA 74 HA ALA 74 -3.637 6.911 -3.252 539 1HB ALA 74 1HB ALA 74 -3.049 7.624 -0.366 540 2HB ALA 74 2HB ALA 74 -3.213 5.956 -0.914 541 3HB ALA 74 3HB ALA 74 -4.577 7.065 -1.046 542 H LEU 75 H LEU 75 -5.050 8.976 -2.504 543 HA LEU 75 HA LEU 75 -3.329 11.416 -2.675 544 1HB LEU 75 2HB LEU 75 -5.747 10.690 -4.349 545 2HB LEU 75 1HB LEU 75 -4.928 12.252 -4.398 546 HG LEU 75 HG LEU 75 -3.571 9.597 -4.945 547 1HD1 LEU 75 1HD1 LEU 75 -4.433 9.709 -7.020 548 2HD1 LEU 75 2HD1 LEU 75 -3.648 11.273 -7.240 549 3HD1 LEU 75 3HD1 LEU 75 -5.292 11.193 -6.605 550 1HD2 LEU 75 1HD2 LEU 75 -1.984 11.455 -6.064 551 2HD2 LEU 75 2HD2 LEU 75 -1.819 10.996 -4.369 552 3HD2 LEU 75 3HD2 LEU 75 -2.705 12.457 -4.804 553 H HIS 76 H HIS 76 -4.336 13.333 -1.831 554 HA HIS 76 HA HIS 76 -6.993 13.119 -0.561 555 1HB HIS 76 2HB HIS 76 -5.428 12.053 1.021 556 2HB HIS 76 1HB HIS 76 -4.410 13.494 0.989 557 HD1 HIS 76 HD1 HIS 76 -7.634 12.170 2.344 558 HD2 HIS 76 HD2 HIS 76 -5.490 15.742 2.387 559 HE1 HIS 76 HE1 HIS 76 -8.714 13.633 4.109 560 H ASP 77 H ASP 77 -7.466 14.933 -1.964 561 HA ASP 77 HA ASP 77 -7.734 17.260 -2.324 562 1HB ASP 77 2HB ASP 77 -5.901 17.651 0.048 563 2HB ASP 77 1HB ASP 77 -7.240 18.669 -0.476 564 H ASP 78 H ASP 78 -4.421 16.851 -1.020 565 HA ASP 78 HA ASP 78 -3.227 17.413 -3.655 566 1HB ASP 78 2HB ASP 78 -3.133 19.327 -1.304 567 2HB ASP 78 1HB ASP 78 -2.054 19.448 -2.694 568 H MET 79 H MET 79 -3.086 15.226 -1.692 569 HA MET 79 HA MET 79 -0.275 15.497 -0.684 570 1HB MET 79 2HB MET 79 -2.791 14.263 0.230 571 2HB MET 79 1HB MET 79 -1.369 13.242 0.445 572 1HG MET 79 2HG MET 79 -0.718 15.936 1.209 573 2HG MET 79 1HG MET 79 -2.179 15.427 2.055 574 1HE MET 79 1HE MET 79 1.550 14.996 3.850 575 2HE MET 79 2HE MET 79 0.056 15.876 4.167 576 3HE MET 79 3HE MET 79 0.912 16.130 2.649 577 H GLU 80 H GLU 80 1.200 13.726 -1.094 578 HA GLU 80 HA GLU 80 0.475 12.122 -3.498 579 1HB GLU 80 2HB GLU 80 2.916 13.340 -2.335 580 2HB GLU 80 1HB GLU 80 3.148 11.780 -3.132 581 1HG GLU 80 2HG GLU 80 1.667 14.090 -4.417 582 2HG GLU 80 1HG GLU 80 3.388 13.792 -4.658 583 H SER 81 H SER 81 -0.178 11.599 -0.577 584 HA SER 81 HA SER 81 -0.046 9.845 1.041 585 1HB SER 81 2HB SER 81 -1.700 9.231 -0.638 586 2HB SER 81 1HB SER 81 -0.447 8.532 -1.657 587 HG SER 81 HG SER 81 -0.493 7.594 0.938 588 H GLN 82 H GLN 82 1.816 9.199 2.101 589 HA GLN 82 HA GLN 82 4.375 8.693 1.404 590 1HB GLN 82 2HB GLN 82 2.448 7.422 3.247 591 2HB GLN 82 1HB GLN 82 3.880 6.447 2.916 592 1HG GLN 82 2HG GLN 82 4.087 8.044 4.886 593 2HG GLN 82 1HG GLN 82 5.347 8.190 3.660 594 1HE2 GLN 82 1HE2 GLN 82 2.133 9.609 4.490 595 2HE2 GLN 82 2HE2 GLN 82 2.514 11.165 3.928 596 HA PRO 83 HA PRO 83 3.777 5.904 -2.050 597 1HB PRO 83 2HB PRO 83 6.375 5.972 -2.901 598 2HB PRO 83 1HB PRO 83 5.195 7.251 -3.256 599 1HG PRO 83 2HG PRO 83 7.310 7.165 -1.151 600 2HG PRO 83 1HG PRO 83 6.813 8.508 -2.196 601 1HD PRO 83 2HD PRO 83 6.016 8.302 0.384 602 2HD PRO 83 1HD PRO 83 5.005 9.046 -0.876 603 H LEU 84 H LEU 84 3.538 3.807 -1.465 604 HA LEU 84 HA LEU 84 5.658 2.438 0.108 605 1HB LEU 84 2HB LEU 84 3.376 2.206 0.888 606 2HB LEU 84 1HB LEU 84 2.818 1.776 -0.729 607 HG LEU 84 HG LEU 84 4.808 -0.080 -0.276 608 1HD1 LEU 84 1HD1 LEU 84 3.185 0.013 2.263 609 2HD1 LEU 84 2HD1 LEU 84 4.730 0.856 2.144 610 3HD1 LEU 84 3HD1 LEU 84 4.660 -0.894 1.931 611 1HD2 LEU 84 1HD2 LEU 84 2.936 -1.042 -1.167 612 2HD2 LEU 84 2HD2 LEU 84 1.846 0.002 -0.253 613 3HD2 LEU 84 3HD2 LEU 84 2.562 -1.415 0.516 614 H ILE 85 H ILE 85 7.012 0.956 -0.902 615 HA ILE 85 HA ILE 85 6.736 0.628 -3.830 616 HB ILE 85 HB ILE 85 8.830 0.044 -1.738 617 1HG1 ILE 85 2HG1 ILE 85 8.442 2.371 -2.673 618 2HG1 ILE 85 1HG1 ILE 85 10.071 1.740 -2.917 619 1HG2 ILE 85 1HG2 ILE 85 8.892 -1.809 -3.353 620 2HG2 ILE 85 2HG2 ILE 85 10.281 -0.748 -3.590 621 3HG2 ILE 85 3HG2 ILE 85 8.906 -0.659 -4.690 622 1HD1 ILE 85 1HD1 ILE 85 9.364 2.695 -5.011 623 2HD1 ILE 85 2HD1 ILE 85 7.823 1.840 -4.941 624 3HD1 ILE 85 3HD1 ILE 85 9.318 0.942 -5.197 625 H GLY 86 H GLY 86 6.974 -1.517 -4.812 626 1HA GLY 86 2HA GLY 86 6.467 -3.889 -3.158 627 2HA GLY 86 1HA GLY 86 5.133 -3.434 -4.223 628 H THR 87 H THR 87 8.526 -4.438 -4.173 629 HA THR 87 HA THR 87 8.613 -4.719 -7.109 630 HB THR 87 HB THR 87 10.597 -5.562 -4.980 631 HG1 THR 87 HG1 THR 87 11.085 -3.539 -4.772 632 1HG2 THR 87 1HG2 THR 87 12.062 -5.941 -6.673 633 2HG2 THR 87 2HG2 THR 87 11.483 -4.562 -7.609 634 3HG2 THR 87 3HG2 THR 87 10.607 -6.092 -7.659 635 H GLN 88 H GLN 88 8.041 -6.580 -8.142 636 HA GLN 88 HA GLN 88 8.238 -9.178 -6.685 637 1HB GLN 88 2HB GLN 88 5.889 -7.782 -6.946 638 2HB GLN 88 1HB GLN 88 5.849 -8.806 -8.382 639 1HG GLN 88 2HG GLN 88 6.314 -9.796 -5.552 640 2HG GLN 88 1HG GLN 88 4.790 -9.919 -6.431 641 1HE2 GLN 88 1HE2 GLN 88 5.445 -10.802 -8.920 642 2HE2 GLN 88 2HE2 GLN 88 6.312 -12.259 -8.860 643 H SER 89 H SER 89 9.151 -10.717 -8.010 644 HA SER 89 HA SER 89 10.013 -10.067 -10.689 645 1HB SER 89 2HB SER 89 9.818 -12.724 -9.245 646 2HB SER 89 1HB SER 89 10.850 -12.373 -10.629 647 HG SER 89 HG SER 89 12.148 -11.212 -9.379 648 H THR 90 H THR 90 8.535 -9.916 -12.351 649 HA THR 90 HA THR 90 5.954 -11.136 -12.417 650 HB THR 90 HB THR 90 7.161 -10.683 -15.033 651 HG1 THR 90 HG1 THR 90 8.117 -8.818 -14.690 652 1HG2 THR 90 1HG2 THR 90 5.350 -9.114 -15.242 653 2HG2 THR 90 2HG2 THR 90 5.152 -9.029 -13.490 654 3HG2 THR 90 3HG2 THR 90 4.735 -10.509 -14.353 655 H ALA 91 H ALA 91 5.532 -13.304 -12.581 656 HA ALA 91 HA ALA 91 7.409 -15.338 -13.157 657 1HB ALA 91 1HB ALA 91 4.727 -15.081 -12.454 658 2HB ALA 91 2HB ALA 91 5.591 -16.603 -12.669 659 3HB ALA 91 3HB ALA 91 4.673 -15.914 -14.008 660 H ILE 92 H ILE 92 6.322 -16.890 -15.187 661 HA ILE 92 HA ILE 92 6.544 -15.195 -17.644 662 HB ILE 92 HB ILE 92 8.275 -16.541 -18.511 663 1HG1 ILE 92 2HG1 ILE 92 7.154 -18.713 -18.124 664 2HG1 ILE 92 1HG1 ILE 92 8.844 -18.779 -17.624 665 1HG2 ILE 92 1HG2 ILE 92 8.997 -16.930 -15.628 666 2HG2 ILE 92 2HG2 ILE 92 8.775 -15.289 -16.233 667 3HG2 ILE 92 3HG2 ILE 92 9.989 -16.340 -16.960 668 1HD1 ILE 92 1HD1 ILE 92 6.376 -18.659 -15.917 669 2HD1 ILE 92 2HD1 ILE 92 7.919 -18.086 -15.285 670 3HD1 ILE 92 3HD1 ILE 92 7.748 -19.762 -15.807 671 HA PRO 93 HA PRO 93 3.280 -17.731 -19.088 672 1HB PRO 93 2HB PRO 93 3.702 -17.704 -21.784 673 2HB PRO 93 1HB PRO 93 3.137 -16.286 -20.879 674 1HG PRO 93 2HG PRO 93 5.809 -16.859 -22.001 675 2HG PRO 93 1HG PRO 93 5.018 -15.308 -21.695 676 1HD PRO 93 2HD PRO 93 7.001 -16.519 -20.099 677 2HD PRO 93 1HD PRO 93 6.001 -15.119 -19.663 678 H ALA 94 H ALA 94 3.940 -19.802 -18.199 679 HA ALA 94 HA ALA 94 5.647 -21.535 -19.911 680 1HB ALA 94 1HB ALA 94 5.359 -23.032 -17.837 681 2HB ALA 94 2HB ALA 94 4.535 -21.659 -17.100 682 3HB ALA 94 3HB ALA 94 6.221 -21.513 -17.593 Start of MODEL 19 1 1H ASN 1 1H ASN 1 -4.130 15.773 8.249 2 2H ASN 1 2H ASN 1 -2.593 16.496 8.306 3 3H ASN 1 3H ASN 1 -2.761 14.827 8.573 4 HA ASN 1 HA ASN 1 -3.314 16.226 6.003 5 1HB ASN 1 2HB ASN 1 -0.949 15.225 7.339 6 2HB ASN 1 1HB ASN 1 -1.234 14.318 5.853 7 1HD2 ASN 1 1HD2 ASN 1 -1.947 15.924 3.930 8 2HD2 ASN 1 2HD2 ASN 1 -0.987 17.316 3.784 9 H ILE 2 H ILE 2 -3.077 14.246 4.284 10 HA ILE 2 HA ILE 2 -5.351 12.654 4.388 11 HB ILE 2 HB ILE 2 -3.625 13.042 2.525 12 1HG1 ILE 2 2HG1 ILE 2 -4.267 10.120 2.662 13 2HG1 ILE 2 1HG1 ILE 2 -5.610 11.263 2.712 14 1HG2 ILE 2 1HG2 ILE 2 -1.601 12.046 2.637 15 2HG2 ILE 2 2HG2 ILE 2 -2.313 10.495 3.078 16 3HG2 ILE 2 3HG2 ILE 2 -1.973 11.695 4.325 17 1HD1 ILE 2 1HD1 ILE 2 -4.455 12.372 0.662 18 2HD1 ILE 2 2HD1 ILE 2 -5.335 10.865 0.407 19 3HD1 ILE 2 3HD1 ILE 2 -3.575 10.849 0.527 20 H ASP 3 H ASP 3 -5.325 10.144 4.589 21 HA ASP 3 HA ASP 3 -4.243 9.469 7.249 22 1HB ASP 3 2HB ASP 3 -6.507 8.841 5.623 23 2HB ASP 3 1HB ASP 3 -5.659 7.337 5.978 24 H ARG 4 H ARG 4 -3.697 8.766 3.882 25 HA ARG 4 HA ARG 4 -2.164 7.403 2.769 26 1HB ARG 4 2HB ARG 4 0.036 7.702 3.563 27 2HB ARG 4 1HB ARG 4 -0.830 9.056 4.274 28 1HG ARG 4 2HG ARG 4 -0.892 6.706 6.003 29 2HG ARG 4 1HG ARG 4 0.745 7.204 5.641 30 1HD ARG 4 2HD ARG 4 -1.408 9.115 6.615 31 2HD ARG 4 1HD ARG 4 -0.198 8.359 7.666 32 HE ARG 4 HE ARG 4 0.655 9.935 5.277 33 1HH1 ARG 4 1HH2 ARG 4 2.763 8.763 6.966 34 2HH1 ARG 4 2HH2 ARG 4 3.140 10.043 8.070 35 1HH2 ARG 4 1HH1 ARG 4 0.230 11.815 7.424 36 2HH2 ARG 4 2HH1 ARG 4 1.707 11.772 8.330 37 HA PRO 5 HA PRO 5 -3.013 3.360 4.361 38 1HB PRO 5 2HB PRO 5 -2.466 2.019 2.052 39 2HB PRO 5 1HB PRO 5 -3.950 2.960 2.290 40 1HG PRO 5 2HG PRO 5 -1.595 3.576 0.644 41 2HG PRO 5 1HG PRO 5 -3.253 4.174 0.511 42 1HD PRO 5 2HD PRO 5 -1.004 5.517 1.646 43 2HD PRO 5 1HD PRO 5 -2.689 6.076 1.585 44 H LYS 6 H LYS 6 -1.710 1.095 4.012 45 HA LYS 6 HA LYS 6 1.142 1.235 3.595 46 1HB LYS 6 2HB LYS 6 -0.004 1.934 6.229 47 2HB LYS 6 1HB LYS 6 1.327 0.779 6.288 48 1HG LYS 6 2HG LYS 6 2.288 2.605 4.485 49 2HG LYS 6 1HG LYS 6 1.354 3.642 5.564 50 1HD LYS 6 2HD LYS 6 2.541 2.574 7.508 51 2HD LYS 6 1HD LYS 6 3.568 1.728 6.349 52 1HE LYS 6 2HE LYS 6 4.594 3.717 5.609 53 2HE LYS 6 1HE LYS 6 3.276 4.733 6.231 54 1HZ LYS 6 1HZ LYS 6 3.988 3.474 8.448 55 2HZ LYS 6 2HZ LYS 6 4.677 4.954 7.975 56 3HZ LYS 6 3HZ LYS 6 5.490 3.495 7.663 57 H GLY 7 H GLY 7 1.792 -0.853 3.227 58 1HA GLY 7 2HA GLY 7 1.985 -3.193 3.852 59 2HA GLY 7 1HA GLY 7 0.439 -3.062 4.691 60 H LEU 8 H LEU 8 1.900 -3.121 1.448 61 HA LEU 8 HA LEU 8 -0.729 -3.545 0.178 62 1HB LEU 8 2HB LEU 8 0.431 -3.062 -1.790 63 2HB LEU 8 1HB LEU 8 1.472 -2.253 -0.621 64 HG LEU 8 HG LEU 8 2.583 -4.710 -0.534 65 1HD1 LEU 8 1HD1 LEU 8 2.544 -5.810 -2.651 66 2HD1 LEU 8 2HD1 LEU 8 1.741 -4.446 -3.427 67 3HD1 LEU 8 3HD1 LEU 8 0.859 -5.451 -2.278 68 1HD2 LEU 8 1HD2 LEU 8 4.368 -3.650 -1.490 69 2HD2 LEU 8 2HD2 LEU 8 3.320 -2.232 -1.469 70 3HD2 LEU 8 3HD2 LEU 8 3.451 -3.209 -2.930 71 H ALA 9 H ALA 9 -1.283 -5.527 -0.944 72 HA ALA 9 HA ALA 9 0.319 -7.921 -0.090 73 1HB ALA 9 1HB ALA 9 -1.672 -8.968 0.508 74 2HB ALA 9 2HB ALA 9 -2.627 -8.021 -0.634 75 3HB ALA 9 3HB ALA 9 -2.076 -7.291 0.874 76 H PHE 10 H PHE 10 -0.434 -9.888 -1.580 77 HA PHE 10 HA PHE 10 -0.591 -8.912 -4.414 78 1HB PHE 10 2HB PHE 10 1.108 -11.067 -3.130 79 2HB PHE 10 1HB PHE 10 0.949 -10.874 -4.876 80 HD1 PHE 10 HD1 PHE 10 1.460 -8.519 -5.851 81 HD2 PHE 10 HD2 PHE 10 2.708 -9.820 -1.953 82 HE1 PHE 10 HE1 PHE 10 3.195 -6.745 -5.815 83 HE2 PHE 10 HE2 PHE 10 4.442 -8.048 -1.916 84 HZ PHE 10 HZ PHE 10 4.686 -6.511 -3.846 85 H THR 11 H THR 11 -2.202 -9.892 -5.594 86 HA THR 11 HA THR 11 -3.740 -12.085 -4.320 87 HB THR 11 HB THR 11 -4.146 -10.117 -6.568 88 HG1 THR 11 HG1 THR 11 -5.930 -9.589 -5.215 89 1HG2 THR 11 1HG2 THR 11 -6.325 -11.142 -6.997 90 2HG2 THR 11 2HG2 THR 11 -5.982 -12.398 -5.809 91 3HG2 THR 11 3HG2 THR 11 -5.037 -12.307 -7.295 92 H ASP 12 H ASP 12 -1.828 -11.381 -7.230 93 HA ASP 12 HA ASP 12 -1.150 -14.145 -7.670 94 1HB ASP 12 2HB ASP 12 -3.739 -13.433 -8.401 95 2HB ASP 12 1HB ASP 12 -2.846 -13.358 -9.921 96 H VAL 13 H VAL 13 0.950 -13.334 -8.117 97 HA VAL 13 HA VAL 13 1.374 -11.186 -10.067 98 HB VAL 13 HB VAL 13 2.803 -11.549 -8.082 99 1HG1 VAL 13 1HG1 VAL 13 2.531 -14.223 -8.699 100 2HG1 VAL 13 2HG1 VAL 13 3.695 -13.567 -7.549 101 3HG1 VAL 13 3HG1 VAL 13 4.186 -13.888 -9.212 102 1HG2 VAL 13 1HG2 VAL 13 3.907 -10.437 -9.887 103 2HG2 VAL 13 2HG2 VAL 13 4.071 -11.934 -10.803 104 3HG2 VAL 13 3HG2 VAL 13 5.031 -11.684 -9.345 105 H ASP 14 H ASP 14 1.116 -11.643 -12.228 106 HA ASP 14 HA ASP 14 2.051 -14.321 -13.213 107 1HB ASP 14 2HB ASP 14 -0.326 -12.582 -13.842 108 2HB ASP 14 1HB ASP 14 0.240 -13.779 -15.008 109 H VAL 15 H VAL 15 3.123 -14.322 -15.258 110 HA VAL 15 HA VAL 15 4.978 -12.404 -15.904 111 HB VAL 15 HB VAL 15 4.881 -14.567 -16.964 112 1HG1 VAL 15 1HG1 VAL 15 3.077 -15.351 -18.265 113 2HG1 VAL 15 2HG1 VAL 15 2.411 -13.732 -18.470 114 3HG1 VAL 15 3HG1 VAL 15 2.298 -14.537 -16.909 115 1HG2 VAL 15 1HG2 VAL 15 4.689 -13.784 -19.476 116 2HG2 VAL 15 2HG2 VAL 15 6.003 -13.192 -18.462 117 3HG2 VAL 15 3HG2 VAL 15 4.590 -12.181 -18.752 118 H ASP 16 H ASP 16 1.557 -12.423 -16.833 119 HA ASP 16 HA ASP 16 1.834 -9.560 -17.662 120 1HB ASP 16 2HB ASP 16 0.784 -11.942 -19.165 121 2HB ASP 16 1HB ASP 16 0.090 -10.351 -19.482 122 H SER 17 H SER 17 0.903 -10.158 -15.170 123 HA SER 17 HA SER 17 -1.704 -9.040 -15.057 124 1HB SER 17 2HB SER 17 -2.715 -10.892 -15.984 125 2HB SER 17 1HB SER 17 -1.458 -11.987 -15.416 126 HG SER 17 HG SER 17 -3.666 -10.899 -14.036 127 H ILE 18 H ILE 18 -0.268 -8.068 -13.355 128 HA ILE 18 HA ILE 18 0.218 -9.786 -10.982 129 HB ILE 18 HB ILE 18 0.847 -6.853 -11.374 130 1HG1 ILE 18 2HG1 ILE 18 1.664 -8.339 -13.296 131 2HG1 ILE 18 1HG1 ILE 18 2.912 -7.442 -12.435 132 1HG2 ILE 18 1HG2 ILE 18 2.604 -7.298 -9.763 133 2HG2 ILE 18 2HG2 ILE 18 2.263 -9.027 -9.806 134 3HG2 ILE 18 3HG2 ILE 18 1.087 -7.913 -9.107 135 1HD1 ILE 18 1HD1 ILE 18 3.045 -10.115 -12.908 136 2HD1 ILE 18 2HD1 ILE 18 2.278 -10.109 -11.320 137 3HD1 ILE 18 3HD1 ILE 18 3.842 -9.326 -11.548 138 H LYS 19 H LYS 19 -1.761 -10.031 -9.916 139 HA LYS 19 HA LYS 19 -3.553 -7.711 -9.547 140 1HB LYS 19 2HB LYS 19 -3.578 -10.661 -8.930 141 2HB LYS 19 1HB LYS 19 -4.788 -9.592 -8.221 142 1HG LYS 19 2HG LYS 19 -5.767 -9.107 -10.258 143 2HG LYS 19 1HG LYS 19 -4.279 -9.396 -11.159 144 1HD LYS 19 2HD LYS 19 -4.492 -11.816 -10.764 145 2HD LYS 19 1HD LYS 19 -5.968 -11.540 -9.839 146 1HE LYS 19 2HE LYS 19 -7.226 -11.044 -11.728 147 2HE LYS 19 1HE LYS 19 -5.820 -10.439 -12.627 148 1HZ LYS 19 1HZ LYS 19 -6.785 -12.830 -13.084 149 2HZ LYS 19 2HZ LYS 19 -5.805 -13.236 -11.755 150 3HZ LYS 19 3HZ LYS 19 -5.116 -12.531 -13.139 151 H ILE 20 H ILE 20 -2.891 -6.284 -7.972 152 HA ILE 20 HA ILE 20 -1.803 -7.455 -5.429 153 HB ILE 20 HB ILE 20 -0.467 -5.434 -5.275 154 1HG1 ILE 20 2HG1 ILE 20 -1.555 -4.447 -7.901 155 2HG1 ILE 20 1HG1 ILE 20 -2.431 -4.084 -6.415 156 1HG2 ILE 20 1HG2 ILE 20 0.551 -7.095 -6.663 157 2HG2 ILE 20 2HG2 ILE 20 0.736 -5.566 -7.524 158 3HG2 ILE 20 3HG2 ILE 20 -0.511 -6.711 -8.018 159 1HD1 ILE 20 1HD1 ILE 20 0.522 -3.612 -6.470 160 2HD1 ILE 20 2HD1 ILE 20 -0.731 -2.759 -5.568 161 3HD1 ILE 20 3HD1 ILE 20 -0.527 -2.458 -7.295 162 H ALA 21 H ALA 21 -2.483 -6.439 -3.454 163 HA ALA 21 HA ALA 21 -4.896 -4.673 -3.688 164 1HB ALA 21 1HB ALA 21 -4.381 -7.096 -1.939 165 2HB ALA 21 2HB ALA 21 -5.590 -6.950 -3.214 166 3HB ALA 21 3HB ALA 21 -5.758 -6.015 -1.727 167 H TRP 22 H TRP 22 -4.395 -2.750 -2.689 168 HA TRP 22 HA TRP 22 -2.330 -2.751 -0.534 169 1HB TRP 22 2HB TRP 22 -2.344 -0.297 -1.005 170 2HB TRP 22 1HB TRP 22 -2.019 -1.258 -2.448 171 HD1 TRP 22 HD1 TRP 22 -4.692 0.907 -0.814 172 HE1 TRP 22 HE1 TRP 22 -6.486 1.487 -2.576 173 HE3 TRP 22 HE3 TRP 22 -3.146 -2.069 -4.664 174 HZ2 TRP 22 HZ2 TRP 22 -7.170 0.782 -5.260 175 HZ3 TRP 22 HZ3 TRP 22 -4.387 -2.093 -6.814 176 HH2 TRP 22 HH2 TRP 22 -6.395 -0.669 -7.114 177 H GLU 23 H GLU 23 -2.796 -1.888 1.527 178 HA GLU 23 HA GLU 23 -5.207 -2.321 2.793 179 1HB GLU 23 2HB GLU 23 -2.836 -1.438 3.552 180 2HB GLU 23 1HB GLU 23 -3.612 0.142 3.434 181 1HG GLU 23 2HG GLU 23 -5.363 -0.555 4.985 182 2HG GLU 23 1HG GLU 23 -4.697 -2.188 5.043 183 H SER 24 H SER 24 -7.241 -1.482 2.518 184 HA SER 24 HA SER 24 -7.976 0.501 0.659 185 1HB SER 24 2HB SER 24 -10.090 0.128 1.526 186 2HB SER 24 1HB SER 24 -9.255 -1.264 2.209 187 HG SER 24 HG SER 24 -9.514 -0.429 4.117 188 HA PRO 25 HA PRO 25 -7.142 4.356 2.566 189 1HB PRO 25 2HB PRO 25 -9.362 5.829 1.959 190 2HB PRO 25 1HB PRO 25 -8.140 5.381 0.752 191 1HG PRO 25 2HG PRO 25 -10.810 4.175 1.278 192 2HG PRO 25 1HG PRO 25 -9.973 4.442 -0.260 193 1HD PRO 25 2HD PRO 25 -10.103 2.012 1.004 194 2HD PRO 25 1HD PRO 25 -8.802 2.482 -0.111 195 H GLN 26 H GLN 26 -7.174 4.617 4.770 196 HA GLN 26 HA GLN 26 -9.223 3.674 6.510 197 1HB GLN 26 2HB GLN 26 -7.128 5.834 6.880 198 2HB GLN 26 1HB GLN 26 -7.952 4.974 8.184 199 1HG GLN 26 2HG GLN 26 -6.614 3.313 6.102 200 2HG GLN 26 1HG GLN 26 -5.571 4.175 7.232 201 1HE2 GLN 26 1HE2 GLN 26 -7.049 1.239 6.851 202 2HE2 GLN 26 2HE2 GLN 26 -7.260 0.810 8.478 203 H GLY 27 H GLY 27 -8.376 7.090 5.886 204 1HA GLY 27 2HA GLY 27 -10.943 8.008 6.899 205 2HA GLY 27 1HA GLY 27 -9.711 9.018 6.142 206 H GLN 28 H GLN 28 -9.973 9.584 4.006 207 HA GLN 28 HA GLN 28 -11.898 8.084 2.315 208 1HB GLN 28 2HB GLN 28 -12.438 10.546 3.750 209 2HB GLN 28 1HB GLN 28 -12.573 10.807 2.011 210 1HG GLN 28 2HG GLN 28 -14.609 9.848 2.099 211 2HG GLN 28 1HG GLN 28 -13.807 8.325 2.482 212 1HE2 GLN 28 1HE2 GLN 28 -16.260 8.550 3.635 213 2HE2 GLN 28 2HE2 GLN 28 -16.144 8.932 5.285 214 H VAL 29 H VAL 29 -10.488 7.707 0.616 215 HA VAL 29 HA VAL 29 -8.726 9.918 -0.325 216 HB VAL 29 HB VAL 29 -8.800 6.928 -0.436 217 1HG1 VAL 29 1HG1 VAL 29 -6.872 7.215 -2.217 218 2HG1 VAL 29 2HG1 VAL 29 -7.741 8.694 -2.626 219 3HG1 VAL 29 3HG1 VAL 29 -8.552 7.132 -2.749 220 1HG2 VAL 29 1HG2 VAL 29 -7.395 8.066 1.203 221 2HG2 VAL 29 2HG2 VAL 29 -6.633 9.020 -0.070 222 3HG2 VAL 29 3HG2 VAL 29 -6.363 7.279 0.010 223 H SER 30 H SER 30 -8.684 10.402 -2.654 224 HA SER 30 HA SER 30 -11.322 9.883 -3.985 225 1HB SER 30 2HB SER 30 -11.281 12.163 -3.873 226 2HB SER 30 1HB SER 30 -9.540 12.208 -3.607 227 HG SER 30 HG SER 30 -11.003 12.345 -5.945 228 H ARG 31 H ARG 31 -7.847 9.649 -4.275 229 HA ARG 31 HA ARG 31 -8.148 8.108 -6.787 230 1HB ARG 31 2HB ARG 31 -7.149 10.864 -6.534 231 2HB ARG 31 1HB ARG 31 -6.056 9.790 -7.407 232 1HG ARG 31 2HG ARG 31 -7.677 9.278 -9.047 233 2HG ARG 31 1HG ARG 31 -9.001 9.876 -8.047 234 1HD ARG 31 2HD ARG 31 -8.439 12.142 -8.434 235 2HD ARG 31 1HD ARG 31 -6.797 11.730 -8.969 236 HE ARG 31 HE ARG 31 -9.109 10.715 -10.545 237 1HH1 ARG 31 1HH2 ARG 31 -7.486 13.594 -10.387 238 2HH1 ARG 31 2HH2 ARG 31 -6.825 13.540 -11.987 239 1HH2 ARG 31 1HH1 ARG 31 -7.751 10.245 -12.546 240 2HH2 ARG 31 2HH1 ARG 31 -6.975 11.646 -13.207 241 H TYR 32 H TYR 32 -6.385 6.676 -7.114 242 HA TYR 32 HA TYR 32 -4.330 6.657 -4.926 243 1HB TYR 32 2HB TYR 32 -6.237 4.692 -5.926 244 2HB TYR 32 1HB TYR 32 -4.584 4.073 -5.977 245 HD1 TYR 32 HD1 TYR 32 -3.126 4.662 -3.818 246 HD2 TYR 32 HD2 TYR 32 -7.416 4.485 -3.927 247 HE1 TYR 32 HE1 TYR 32 -3.173 4.325 -1.361 248 HE2 TYR 32 HE2 TYR 32 -7.465 4.148 -1.468 249 HH TYR 32 HH TYR 32 -6.169 3.579 0.334 250 H ARG 33 H ARG 33 -2.321 7.065 -5.742 251 HA ARG 33 HA ARG 33 -1.795 7.021 -8.608 252 1HB ARG 33 2HB ARG 33 -0.901 8.507 -6.617 253 2HB ARG 33 1HB ARG 33 0.313 7.236 -6.488 254 1HG ARG 33 2HG ARG 33 1.159 7.647 -8.641 255 2HG ARG 33 1HG ARG 33 -0.309 8.477 -9.159 256 1HD ARG 33 2HD ARG 33 0.589 10.463 -8.543 257 2HD ARG 33 1HD ARG 33 0.791 9.863 -6.884 258 HE ARG 33 HE ARG 33 2.821 8.620 -8.337 259 1HH1 ARG 33 1HH2 ARG 33 2.589 11.307 -9.844 260 2HH1 ARG 33 2HH2 ARG 33 3.811 12.228 -9.032 261 1HH2 ARG 33 1HH1 ARG 33 4.058 10.037 -6.355 262 2HH2 ARG 33 2HH1 ARG 33 4.642 11.509 -7.056 263 H VAL 34 H VAL 34 -1.565 5.040 -9.576 264 HA VAL 34 HA VAL 34 0.097 2.971 -8.182 265 HB VAL 34 HB VAL 34 -1.919 2.694 -10.433 266 1HG1 VAL 34 1HG1 VAL 34 -0.143 0.922 -10.194 267 2HG1 VAL 34 2HG1 VAL 34 -1.786 0.326 -9.965 268 3HG1 VAL 34 3HG1 VAL 34 -0.749 0.612 -8.567 269 1HG2 VAL 34 1HG2 VAL 34 -2.857 3.523 -8.223 270 2HG2 VAL 34 2HG2 VAL 34 -2.281 2.023 -7.497 271 3HG2 VAL 34 3HG2 VAL 34 -3.507 1.977 -8.765 272 H THR 35 H THR 35 2.134 3.799 -8.970 273 HA THR 35 HA THR 35 2.449 3.778 -11.949 274 HB THR 35 HB THR 35 4.602 5.087 -11.130 275 HG1 THR 35 HG1 THR 35 2.839 5.808 -9.080 276 1HG2 THR 35 1HG2 THR 35 2.992 7.159 -10.921 277 2HG2 THR 35 2HG2 THR 35 1.762 5.989 -11.396 278 3HG2 THR 35 3HG2 THR 35 3.138 6.300 -12.455 279 H TYR 36 H TYR 36 4.329 2.760 -12.821 280 HA TYR 36 HA TYR 36 5.738 0.899 -10.946 281 1HB TYR 36 2HB TYR 36 5.733 -0.285 -13.510 282 2HB TYR 36 1HB TYR 36 4.809 -0.814 -12.112 283 HD1 TYR 36 HD1 TYR 36 2.585 0.689 -11.684 284 HD2 TYR 36 HD2 TYR 36 4.560 0.147 -15.459 285 HE1 TYR 36 HE1 TYR 36 0.478 1.263 -12.872 286 HE2 TYR 36 HE2 TYR 36 2.459 0.723 -16.641 287 HH TYR 36 HH TYR 36 0.356 1.327 -16.444 288 H SER 37 H SER 37 7.971 0.664 -11.312 289 HA SER 37 HA SER 37 9.091 2.483 -13.416 290 1HB SER 37 2HB SER 37 10.709 3.168 -11.839 291 2HB SER 37 1HB SER 37 9.213 3.083 -10.913 292 HG SER 37 HG SER 37 10.165 1.644 -9.727 293 H SER 38 H SER 38 10.873 1.766 -14.577 294 HA SER 38 HA SER 38 11.755 -1.061 -14.117 295 1HB SER 38 2HB SER 38 10.419 0.211 -16.315 296 2HB SER 38 1HB SER 38 12.022 -0.287 -16.846 297 HG SER 38 HG SER 38 9.867 -1.812 -15.894 298 HA PRO 39 HA PRO 39 15.737 0.846 -13.983 299 1HB PRO 39 2HB PRO 39 17.259 -1.406 -14.300 300 2HB PRO 39 1HB PRO 39 16.434 -0.998 -12.782 301 1HG PRO 39 2HG PRO 39 15.637 -2.928 -14.908 302 2HG PRO 39 1HG PRO 39 15.490 -3.061 -13.148 303 1HD PRO 39 2HD PRO 39 13.403 -2.416 -14.789 304 2HD PRO 39 1HD PRO 39 13.517 -1.899 -13.092 305 H GLU 40 H GLU 40 14.759 1.517 -16.374 306 HA GLU 40 HA GLU 40 16.927 1.532 -18.184 307 1HB GLU 40 2HB GLU 40 15.343 -0.918 -18.100 308 2HB GLU 40 1HB GLU 40 15.397 -0.219 -19.720 309 1HG GLU 40 2HG GLU 40 17.575 -0.746 -19.982 310 2HG GLU 40 1HG GLU 40 17.993 -0.132 -18.383 311 H ASP 41 H ASP 41 13.463 0.794 -18.771 312 HA ASP 41 HA ASP 41 13.197 2.875 -20.764 313 1HB ASP 41 2HB ASP 41 11.820 0.909 -20.848 314 2HB ASP 41 1HB ASP 41 11.275 1.151 -19.188 315 H GLY 42 H GLY 42 12.485 2.654 -17.316 316 1HA GLY 42 2HA GLY 42 12.737 4.923 -16.164 317 2HA GLY 42 1HA GLY 42 11.603 5.505 -17.383 318 H ILE 43 H ILE 43 9.616 5.768 -16.458 319 HA ILE 43 HA ILE 43 8.545 3.514 -14.842 320 HB ILE 43 HB ILE 43 9.660 5.385 -13.491 321 1HG1 ILE 43 2HG1 ILE 43 6.750 4.632 -13.094 322 2HG1 ILE 43 1HG1 ILE 43 8.163 3.843 -12.393 323 1HG2 ILE 43 1HG2 ILE 43 8.222 7.394 -13.161 324 2HG2 ILE 43 2HG2 ILE 43 7.182 6.830 -14.468 325 3HG2 ILE 43 3HG2 ILE 43 8.854 7.278 -14.803 326 1HD1 ILE 43 1HD1 ILE 43 7.296 6.695 -11.834 327 2HD1 ILE 43 2HD1 ILE 43 8.687 5.880 -11.120 328 3HD1 ILE 43 3HD1 ILE 43 7.056 5.325 -10.751 329 H HIS 44 H HIS 44 6.246 3.420 -14.812 330 HA HIS 44 HA HIS 44 4.885 5.143 -16.854 331 1HB HIS 44 2HB HIS 44 5.325 2.556 -17.110 332 2HB HIS 44 1HB HIS 44 3.966 2.421 -16.005 333 HD1 HIS 44 HD1 HIS 44 4.857 3.664 -19.445 334 HD2 HIS 44 HD2 HIS 44 1.454 3.071 -17.113 335 HE1 HIS 44 HE1 HIS 44 2.869 3.975 -20.985 336 H GLU 45 H GLU 45 2.299 4.970 -16.296 337 HA GLU 45 HA GLU 45 1.949 5.119 -13.336 338 1HB GLU 45 2HB GLU 45 1.097 7.349 -13.476 339 2HB GLU 45 1HB GLU 45 2.597 7.332 -14.404 340 1HG GLU 45 2HG GLU 45 1.373 7.131 -16.490 341 2HG GLU 45 1HG GLU 45 -0.152 6.956 -15.619 342 H LEU 46 H LEU 46 -0.076 4.585 -12.626 343 HA LEU 46 HA LEU 46 -2.259 4.140 -14.629 344 1HB LEU 46 2HB LEU 46 -1.173 2.007 -14.097 345 2HB LEU 46 1HB LEU 46 -1.290 2.343 -12.376 346 HG LEU 46 HG LEU 46 -3.867 2.615 -13.033 347 1HD1 LEU 46 1HD1 LEU 46 -4.466 0.830 -14.655 348 2HD1 LEU 46 2HD1 LEU 46 -2.752 0.588 -14.988 349 3HD1 LEU 46 3HD1 LEU 46 -3.526 2.117 -15.407 350 1HD2 LEU 46 1HD2 LEU 46 -3.132 1.144 -11.284 351 2HD2 LEU 46 2HD2 LEU 46 -2.342 0.073 -12.442 352 3HD2 LEU 46 3HD2 LEU 46 -4.104 0.171 -12.389 353 H PHE 47 H PHE 47 -4.206 5.097 -13.876 354 HA PHE 47 HA PHE 47 -4.508 5.513 -10.944 355 1HB PHE 47 2HB PHE 47 -4.690 7.926 -11.219 356 2HB PHE 47 1HB PHE 47 -3.158 7.378 -11.902 357 HD1 PHE 47 HD1 PHE 47 -6.041 9.314 -12.523 358 HD2 PHE 47 HD2 PHE 47 -3.286 6.649 -14.463 359 HE1 PHE 47 HE1 PHE 47 -6.694 10.243 -14.729 360 HE2 PHE 47 HE2 PHE 47 -3.936 7.581 -16.667 361 HZ PHE 47 HZ PHE 47 -5.642 9.377 -16.800 362 HA PRO 48 HA PRO 48 -8.516 5.080 -13.407 363 1HB PRO 48 2HB PRO 48 -9.305 2.667 -12.373 364 2HB PRO 48 1HB PRO 48 -8.348 2.805 -13.864 365 1HG PRO 48 2HG PRO 48 -7.434 2.205 -11.084 366 2HG PRO 48 1HG PRO 48 -6.944 1.460 -12.617 367 1HD PRO 48 2HD PRO 48 -5.419 3.317 -11.392 368 2HD PRO 48 1HD PRO 48 -5.524 3.192 -13.161 369 H ALA 49 H ALA 49 -8.876 6.854 -11.849 370 HA ALA 49 HA ALA 49 -9.177 7.013 -9.179 371 1HB ALA 49 1HB ALA 49 -10.514 8.086 -11.506 372 2HB ALA 49 2HB ALA 49 -10.132 8.887 -9.981 373 3HB ALA 49 3HB ALA 49 -11.636 7.981 -10.150 374 HA PRO 50 HA PRO 50 -11.743 3.420 -8.352 375 1HB PRO 50 2HB PRO 50 -11.254 3.379 -5.664 376 2HB PRO 50 1HB PRO 50 -10.127 2.713 -6.863 377 1HG PRO 50 2HG PRO 50 -10.026 5.308 -5.411 378 2HG PRO 50 1HG PRO 50 -8.710 4.217 -5.872 379 1HD PRO 50 2HD PRO 50 -9.330 6.521 -7.226 380 2HD PRO 50 1HD PRO 50 -8.521 5.120 -7.965 381 H ASP 51 H ASP 51 -13.487 3.107 -6.521 382 HA ASP 51 HA ASP 51 -14.915 5.716 -6.147 383 1HB ASP 51 2HB ASP 51 -15.788 4.050 -7.846 384 2HB ASP 51 1HB ASP 51 -16.081 2.943 -6.501 385 H GLY 52 H GLY 52 -14.584 2.399 -4.818 386 1HA GLY 52 2HA GLY 52 -14.030 3.065 -2.179 387 2HA GLY 52 1HA GLY 52 -15.789 3.132 -2.281 388 H GLU 53 H GLU 53 -15.743 0.963 -4.392 389 HA GLU 53 HA GLU 53 -15.604 -1.306 -2.488 390 1HB GLU 53 2HB GLU 53 -17.126 -0.520 -4.876 391 2HB GLU 53 1HB GLU 53 -16.656 -2.219 -4.868 392 1HG GLU 53 2HG GLU 53 -17.496 -2.115 -2.361 393 2HG GLU 53 1HG GLU 53 -18.423 -0.736 -2.954 394 H GLU 54 H GLU 54 -13.361 0.097 -4.290 395 HA GLU 54 HA GLU 54 -12.216 -2.497 -5.276 396 1HB GLU 54 2HB GLU 54 -12.715 0.103 -6.537 397 2HB GLU 54 1HB GLU 54 -11.054 -0.454 -6.751 398 1HG GLU 54 2HG GLU 54 -11.726 -2.432 -7.844 399 2HG GLU 54 1HG GLU 54 -13.379 -2.311 -7.235 400 H ASP 55 H ASP 55 -10.427 -3.012 -4.072 401 HA ASP 55 HA ASP 55 -8.727 -0.760 -3.045 402 1HB ASP 55 2HB ASP 55 -9.864 -3.230 -1.805 403 2HB ASP 55 1HB ASP 55 -8.270 -2.703 -1.264 404 H THR 56 H THR 56 -8.745 -2.968 -5.383 405 HA THR 56 HA THR 56 -5.826 -3.582 -5.074 406 HB THR 56 HB THR 56 -6.297 -5.823 -5.920 407 HG1 THR 56 HG1 THR 56 -7.979 -5.569 -7.262 408 1HG2 THR 56 1HG2 THR 56 -6.753 -5.094 -3.441 409 2HG2 THR 56 2HG2 THR 56 -7.269 -6.690 -3.986 410 3HG2 THR 56 3HG2 THR 56 -8.440 -5.378 -3.869 411 H ALA 57 H ALA 57 -5.028 -4.418 -7.378 412 HA ALA 57 HA ALA 57 -6.396 -2.913 -9.564 413 1HB ALA 57 1HB ALA 57 -3.570 -2.633 -8.538 414 2HB ALA 57 2HB ALA 57 -4.781 -1.369 -8.746 415 3HB ALA 57 3HB ALA 57 -4.024 -2.105 -10.158 416 H GLU 58 H GLU 58 -6.070 -3.824 -11.624 417 HA GLU 58 HA GLU 58 -4.776 -6.519 -11.660 418 1HB GLU 58 2HB GLU 58 -7.216 -5.380 -12.602 419 2HB GLU 58 1HB GLU 58 -6.282 -5.873 -14.013 420 1HG GLU 58 2HG GLU 58 -5.907 -8.101 -12.829 421 2HG GLU 58 1HG GLU 58 -7.131 -7.584 -11.668 422 H LEU 59 H LEU 59 -2.583 -5.783 -12.012 423 HA LEU 59 HA LEU 59 -1.955 -4.010 -14.257 424 1HB LEU 59 2HB LEU 59 -0.229 -5.758 -12.469 425 2HB LEU 59 1HB LEU 59 0.356 -4.460 -13.510 426 HG LEU 59 HG LEU 59 -1.399 -4.226 -11.059 427 1HD1 LEU 59 1HD1 LEU 59 1.350 -4.030 -11.463 428 2HD1 LEU 59 2HD1 LEU 59 0.462 -3.404 -10.075 429 3HD1 LEU 59 3HD1 LEU 59 0.808 -2.352 -11.448 430 1HD2 LEU 59 1HD2 LEU 59 -1.033 -2.354 -13.386 431 2HD2 LEU 59 2HD2 LEU 59 -1.266 -1.693 -11.769 432 3HD2 LEU 59 3HD2 LEU 59 -2.501 -2.728 -12.483 433 H GLN 60 H GLN 60 -3.126 -5.452 -15.824 434 HA GLN 60 HA GLN 60 -1.691 -7.957 -16.504 435 1HB GLN 60 2HB GLN 60 -4.215 -6.784 -17.678 436 2HB GLN 60 1HB GLN 60 -3.709 -8.472 -17.686 437 1HG GLN 60 2HG GLN 60 -3.929 -8.570 -15.233 438 2HG GLN 60 1HG GLN 60 -4.398 -6.869 -15.200 439 1HE2 GLN 60 1HE2 GLN 60 -6.431 -6.332 -16.541 440 2HE2 GLN 60 2HE2 GLN 60 -7.663 -7.499 -16.593 441 H GLY 61 H GLY 61 -0.275 -7.997 -18.183 442 1HA GLY 61 2HA GLY 61 0.235 -7.494 -20.531 443 2HA GLY 61 1HA GLY 61 -0.538 -5.924 -20.312 444 H LEU 62 H LEU 62 1.830 -7.521 -18.178 445 HA LEU 62 HA LEU 62 3.558 -5.090 -18.476 446 1HB LEU 62 2HB LEU 62 3.758 -7.241 -16.367 447 2HB LEU 62 1HB LEU 62 4.284 -5.561 -16.267 448 HG LEU 62 HG LEU 62 1.433 -6.581 -16.327 449 1HD1 LEU 62 1HD1 LEU 62 1.449 -6.260 -14.089 450 2HD1 LEU 62 2HD1 LEU 62 2.270 -4.707 -14.243 451 3HD1 LEU 62 3HD1 LEU 62 3.207 -6.202 -14.225 452 1HD2 LEU 62 1HD2 LEU 62 1.196 -4.619 -17.546 453 2HD2 LEU 62 2HD2 LEU 62 2.616 -3.871 -16.816 454 3HD2 LEU 62 3HD2 LEU 62 1.107 -3.973 -15.908 455 H ARG 63 H ARG 63 6.001 -5.781 -17.967 456 HA ARG 63 HA ARG 63 6.966 -7.310 -20.174 457 1HB ARG 63 2HB ARG 63 7.933 -5.722 -18.016 458 2HB ARG 63 1HB ARG 63 8.830 -7.241 -17.987 459 1HG ARG 63 2HG ARG 63 9.907 -5.528 -19.446 460 2HG ARG 63 1HG ARG 63 9.433 -6.974 -20.339 461 1HD ARG 63 2HD ARG 63 7.156 -5.376 -20.479 462 2HD ARG 63 1HD ARG 63 8.493 -4.223 -20.666 463 HE ARG 63 HE ARG 63 8.031 -6.601 -22.401 464 1HH1 ARG 63 1HH1 ARG 63 7.981 -3.808 -23.493 465 2HH1 ARG 63 2HH1 ARG 63 9.569 -3.654 -24.168 466 1HH2 ARG 63 1HH2 ARG 63 10.856 -6.373 -22.447 467 2HH2 ARG 63 2HH2 ARG 63 11.194 -5.105 -23.576 468 HA PRO 64 HA PRO 64 6.340 -11.326 -18.408 469 1HB PRO 64 2HB PRO 64 7.414 -12.768 -20.457 470 2HB PRO 64 1HB PRO 64 5.812 -12.012 -20.543 471 1HG PRO 64 2HG PRO 64 8.363 -11.170 -21.783 472 2HG PRO 64 1HG PRO 64 6.702 -10.941 -22.345 473 1HD PRO 64 2HD PRO 64 8.298 -9.007 -21.099 474 2HD PRO 64 1HD PRO 64 6.538 -8.920 -21.330 475 H GLY 65 H GLY 65 7.679 -11.998 -16.768 476 1HA GLY 65 2HA GLY 65 9.581 -12.944 -15.749 477 2HA GLY 65 1HA GLY 65 10.325 -13.045 -17.345 478 H SER 66 H SER 66 9.437 -10.606 -14.885 479 HA SER 66 HA SER 66 12.119 -9.441 -14.993 480 1HB SER 66 2HB SER 66 9.796 -7.776 -15.982 481 2HB SER 66 1HB SER 66 11.510 -7.377 -16.053 482 HG SER 66 HG SER 66 11.653 -8.498 -17.824 483 H GLU 67 H GLU 67 12.498 -8.548 -12.983 484 HA GLU 67 HA GLU 67 10.389 -8.431 -10.989 485 1HB GLU 67 2HB GLU 67 12.755 -8.966 -10.507 486 2HB GLU 67 1HB GLU 67 13.229 -7.352 -11.037 487 1HG GLU 67 2HG GLU 67 11.495 -6.536 -9.248 488 2HG GLU 67 1HG GLU 67 11.695 -8.155 -8.576 489 H TYR 68 H TYR 68 8.824 -6.909 -11.667 490 HA TYR 68 HA TYR 68 9.589 -4.219 -12.550 491 1HB TYR 68 2HB TYR 68 7.367 -5.963 -12.653 492 2HB TYR 68 1HB TYR 68 6.829 -4.546 -11.751 493 HD1 TYR 68 HD1 TYR 68 5.829 -2.903 -13.055 494 HD2 TYR 68 HD2 TYR 68 9.064 -5.197 -14.708 495 HE1 TYR 68 HE1 TYR 68 5.658 -1.619 -15.169 496 HE2 TYR 68 HE2 TYR 68 8.893 -3.911 -16.824 497 HH TYR 68 HH TYR 68 7.821 -1.266 -17.286 498 H THR 69 H THR 69 9.849 -2.439 -11.227 499 HA THR 69 HA THR 69 9.363 -2.779 -8.312 500 HB THR 69 HB THR 69 10.501 -0.335 -9.643 501 HG1 THR 69 HG1 THR 69 11.526 -2.924 -9.643 502 1HG2 THR 69 1HG2 THR 69 10.348 -0.229 -7.261 503 2HG2 THR 69 2HG2 THR 69 12.040 -0.563 -7.626 504 3HG2 THR 69 3HG2 THR 69 10.982 -1.864 -7.081 505 H VAL 70 H VAL 70 6.980 -2.682 -8.521 506 HA VAL 70 HA VAL 70 5.715 -0.309 -9.624 507 HB VAL 70 HB VAL 70 4.577 -2.391 -7.761 508 1HG1 VAL 70 1HG1 VAL 70 3.393 -0.688 -9.977 509 2HG1 VAL 70 2HG1 VAL 70 3.116 -0.481 -8.247 510 3HG1 VAL 70 3HG1 VAL 70 2.515 -1.921 -9.070 511 1HG2 VAL 70 1HG2 VAL 70 5.675 -3.643 -9.476 512 2HG2 VAL 70 2HG2 VAL 70 5.185 -2.498 -10.725 513 3HG2 VAL 70 3HG2 VAL 70 3.985 -3.548 -9.971 514 H SER 71 H SER 71 4.763 1.408 -8.472 515 HA SER 71 HA SER 71 5.486 1.572 -5.563 516 1HB SER 71 2HB SER 71 6.815 3.255 -6.315 517 2HB SER 71 1HB SER 71 6.024 3.283 -7.888 518 HG SER 71 HG SER 71 5.781 5.172 -6.378 519 H VAL 72 H VAL 72 3.599 1.486 -4.415 520 HA VAL 72 HA VAL 72 1.085 2.511 -5.647 521 HB VAL 72 HB VAL 72 1.817 0.750 -3.302 522 1HG1 VAL 72 1HG1 VAL 72 -0.957 1.718 -4.061 523 2HG1 VAL 72 2HG1 VAL 72 -0.058 2.251 -2.641 524 3HG1 VAL 72 3HG1 VAL 72 -0.568 0.568 -2.780 525 1HG2 VAL 72 1HG2 VAL 72 0.176 -0.751 -4.646 526 2HG2 VAL 72 2HG2 VAL 72 1.786 -0.488 -5.316 527 3HG2 VAL 72 3HG2 VAL 72 0.408 0.413 -5.951 528 H VAL 73 H VAL 73 0.382 4.541 -5.078 529 HA VAL 73 HA VAL 73 1.050 5.562 -2.349 530 HB VAL 73 HB VAL 73 1.276 7.231 -4.861 531 1HG1 VAL 73 1HG1 VAL 73 1.128 8.121 -2.390 532 2HG1 VAL 73 2HG1 VAL 73 2.332 8.799 -3.489 533 3HG1 VAL 73 3HG1 VAL 73 2.807 7.586 -2.301 534 1HG2 VAL 73 1HG2 VAL 73 3.794 6.825 -4.528 535 2HG2 VAL 73 2HG2 VAL 73 2.872 5.500 -5.237 536 3HG2 VAL 73 3HG2 VAL 73 3.327 5.445 -3.534 537 H ALA 74 H ALA 74 -0.648 6.659 -1.415 538 HA ALA 74 HA ALA 74 -3.231 6.702 -2.801 539 1HB ALA 74 1HB ALA 74 -2.734 8.044 -0.178 540 2HB ALA 74 2HB ALA 74 -2.468 6.302 -0.265 541 3HB ALA 74 3HB ALA 74 -4.053 6.973 -0.653 542 H LEU 75 H LEU 75 -4.524 8.730 -2.976 543 HA LEU 75 HA LEU 75 -2.830 11.198 -3.160 544 1HB LEU 75 2HB LEU 75 -4.916 10.282 -5.156 545 2HB LEU 75 1HB LEU 75 -3.825 11.657 -5.321 546 HG LEU 75 HG LEU 75 -2.755 8.875 -4.922 547 1HD1 LEU 75 1HD1 LEU 75 -4.000 8.498 -6.867 548 2HD1 LEU 75 2HD1 LEU 75 -2.460 9.055 -7.521 549 3HD1 LEU 75 3HD1 LEU 75 -3.826 10.165 -7.418 550 1HD2 LEU 75 1HD2 LEU 75 -1.717 11.552 -5.370 551 2HD2 LEU 75 2HD2 LEU 75 -1.157 10.441 -6.620 552 3HD2 LEU 75 3HD2 LEU 75 -0.849 10.084 -4.921 553 H HIS 76 H HIS 76 -4.724 12.937 -4.025 554 HA HIS 76 HA HIS 76 -7.301 12.820 -2.792 555 1HB HIS 76 2HB HIS 76 -5.778 12.723 -0.779 556 2HB HIS 76 1HB HIS 76 -5.179 14.318 -1.224 557 HD1 HIS 76 HD1 HIS 76 -8.647 12.754 -0.808 558 HD2 HIS 76 HD2 HIS 76 -6.580 16.249 0.133 559 HE1 HIS 76 HE1 HIS 76 -10.281 14.241 0.433 560 H ASP 77 H ASP 77 -6.430 13.739 -5.248 561 HA ASP 77 HA ASP 77 -6.968 15.597 -6.652 562 1HB ASP 77 2HB ASP 77 -8.240 16.221 -4.352 563 2HB ASP 77 1HB ASP 77 -7.018 17.496 -4.356 564 H ASP 78 H ASP 78 -4.638 15.937 -3.997 565 HA ASP 78 HA ASP 78 -2.507 16.702 -5.786 566 1HB ASP 78 2HB ASP 78 -4.215 18.755 -4.495 567 2HB ASP 78 1HB ASP 78 -2.477 19.039 -4.389 568 H MET 79 H MET 79 -2.458 14.707 -3.950 569 HA MET 79 HA MET 79 -0.648 15.779 -1.824 570 1HB MET 79 2HB MET 79 -3.261 14.456 -1.599 571 2HB MET 79 1HB MET 79 -2.005 13.704 -0.611 572 1HG MET 79 2HG MET 79 -1.812 16.581 -0.433 573 2HG MET 79 1HG MET 79 -3.445 16.057 -0.023 574 1HE MET 79 1HE MET 79 -0.081 16.589 0.665 575 2HE MET 79 2HE MET 79 0.484 14.939 0.917 576 3HE MET 79 3HE MET 79 0.277 16.010 2.300 577 H GLU 80 H GLU 80 1.085 14.421 -1.362 578 HA GLU 80 HA GLU 80 1.236 11.860 -2.909 579 1HB GLU 80 2HB GLU 80 2.961 14.204 -2.613 580 2HB GLU 80 1HB GLU 80 3.817 12.697 -2.284 581 1HG GLU 80 2HG GLU 80 4.050 12.647 -4.552 582 2HG GLU 80 1HG GLU 80 2.420 11.979 -4.492 583 H SER 81 H SER 81 0.150 11.034 -0.826 584 HA SER 81 HA SER 81 1.346 11.071 1.730 585 1HB SER 81 2HB SER 81 0.190 8.683 1.722 586 2HB SER 81 1HB SER 81 -0.783 10.147 1.623 587 HG SER 81 HG SER 81 0.225 8.999 -0.731 588 H GLN 82 H GLN 82 2.401 9.044 2.751 589 HA GLN 82 HA GLN 82 4.955 8.553 1.733 590 1HB GLN 82 2HB GLN 82 3.068 7.134 3.595 591 2HB GLN 82 1HB GLN 82 4.632 6.407 3.224 592 1HG GLN 82 2HG GLN 82 4.916 7.759 5.205 593 2HG GLN 82 1HG GLN 82 5.709 8.599 3.872 594 1HE2 GLN 82 1HE2 GLN 82 5.234 10.793 3.875 595 2HE2 GLN 82 2HE2 GLN 82 3.762 11.475 4.372 596 HA PRO 83 HA PRO 83 3.863 5.944 -1.720 597 1HB PRO 83 2HB PRO 83 6.419 5.530 -2.592 598 2HB PRO 83 1HB PRO 83 5.521 7.030 -2.898 599 1HG PRO 83 2HG PRO 83 7.626 6.467 -0.871 600 2HG PRO 83 1HG PRO 83 7.325 7.937 -1.811 601 1HD PRO 83 2HD PRO 83 6.589 7.626 0.817 602 2HD PRO 83 1HD PRO 83 5.782 8.732 -0.316 603 H LEU 84 H LEU 84 3.761 3.703 -1.965 604 HA LEU 84 HA LEU 84 5.342 2.060 -0.011 605 1HB LEU 84 2HB LEU 84 2.927 2.175 0.433 606 2HB LEU 84 1HB LEU 84 2.585 1.669 -1.222 607 HG LEU 84 HG LEU 84 3.629 -0.488 -0.841 608 1HD1 LEU 84 1HD1 LEU 84 5.456 0.130 0.605 609 2HD1 LEU 84 2HD1 LEU 84 4.459 -1.024 1.491 610 3HD1 LEU 84 3HD1 LEU 84 4.348 0.699 1.853 611 1HD2 LEU 84 1HD2 LEU 84 1.757 0.353 1.394 612 2HD2 LEU 84 2HD2 LEU 84 2.172 -1.324 1.039 613 3HD2 LEU 84 3HD2 LEU 84 1.305 -0.360 -0.156 614 H ILE 85 H ILE 85 7.057 1.432 -1.379 615 HA ILE 85 HA ILE 85 6.886 0.785 -4.138 616 HB ILE 85 HB ILE 85 8.712 0.078 -1.848 617 1HG1 ILE 85 2HG1 ILE 85 8.681 2.368 -2.878 618 2HG1 ILE 85 1HG1 ILE 85 10.240 1.557 -3.030 619 1HG2 ILE 85 1HG2 ILE 85 8.538 -1.251 -4.473 620 2HG2 ILE 85 2HG2 ILE 85 9.377 -1.761 -3.008 621 3HG2 ILE 85 3HG2 ILE 85 10.139 -0.610 -4.104 622 1HD1 ILE 85 1HD1 ILE 85 8.347 2.377 -5.124 623 2HD1 ILE 85 2HD1 ILE 85 8.922 0.720 -5.305 624 3HD1 ILE 85 3HD1 ILE 85 10.077 2.052 -5.239 625 H GLY 86 H GLY 86 6.629 -1.203 -5.216 626 1HA GLY 86 2HA GLY 86 5.864 -3.578 -3.602 627 2HA GLY 86 1HA GLY 86 4.745 -3.003 -4.841 628 H THR 87 H THR 87 8.036 -4.226 -4.350 629 HA THR 87 HA THR 87 8.447 -4.610 -7.245 630 HB THR 87 HB THR 87 10.197 -5.770 -5.112 631 HG1 THR 87 HG1 THR 87 9.995 -3.008 -5.715 632 1HG2 THR 87 1HG2 THR 87 10.462 -4.561 -7.831 633 2HG2 THR 87 2HG2 THR 87 11.198 -6.025 -7.178 634 3HG2 THR 87 3HG2 THR 87 11.833 -4.442 -6.727 635 H GLN 88 H GLN 88 8.435 -6.610 -8.301 636 HA GLN 88 HA GLN 88 8.105 -9.124 -6.821 637 1HB GLN 88 2HB GLN 88 5.873 -7.548 -7.946 638 2HB GLN 88 1HB GLN 88 5.865 -9.252 -8.405 639 1HG GLN 88 2HG GLN 88 5.926 -8.127 -5.592 640 2HG GLN 88 1HG GLN 88 4.611 -9.024 -6.346 641 1HE2 GLN 88 1HE2 GLN 88 5.366 -11.324 -7.191 642 2HE2 GLN 88 2HE2 GLN 88 6.397 -12.185 -6.154 643 H SER 89 H SER 89 8.682 -10.877 -8.139 644 HA SER 89 HA SER 89 9.806 -10.217 -10.783 645 1HB SER 89 2HB SER 89 9.911 -12.399 -8.769 646 2HB SER 89 1HB SER 89 10.178 -12.884 -10.440 647 HG SER 89 HG SER 89 12.111 -12.117 -10.173 648 H THR 90 H THR 90 8.141 -9.998 -12.290 649 HA THR 90 HA THR 90 5.665 -11.277 -12.428 650 HB THR 90 HB THR 90 7.141 -10.972 -14.977 651 HG1 THR 90 HG1 THR 90 6.781 -8.793 -13.200 652 1HG2 THR 90 1HG2 THR 90 4.610 -11.076 -14.580 653 2HG2 THR 90 2HG2 THR 90 5.196 -9.770 -15.612 654 3HG2 THR 90 3HG2 THR 90 4.759 -9.442 -13.935 655 H ALA 91 H ALA 91 5.045 -13.388 -12.770 656 HA ALA 91 HA ALA 91 6.923 -15.533 -13.000 657 1HB ALA 91 1HB ALA 91 4.980 -16.874 -13.015 658 2HB ALA 91 2HB ALA 91 4.043 -15.652 -13.873 659 3HB ALA 91 3HB ALA 91 4.455 -15.416 -12.175 660 H ILE 92 H ILE 92 6.115 -17.191 -15.011 661 HA ILE 92 HA ILE 92 6.298 -15.626 -17.543 662 HB ILE 92 HB ILE 92 8.247 -16.854 -18.234 663 1HG1 ILE 92 2HG1 ILE 92 7.454 -19.028 -17.179 664 2HG1 ILE 92 1HG1 ILE 92 9.176 -18.703 -16.998 665 1HG2 ILE 92 1HG2 ILE 92 9.868 -16.227 -16.500 666 2HG2 ILE 92 2HG2 ILE 92 8.569 -16.087 -15.317 667 3HG2 ILE 92 3HG2 ILE 92 8.647 -14.967 -16.677 668 1HD1 ILE 92 1HD1 ILE 92 8.875 -19.012 -14.781 669 2HD1 ILE 92 2HD1 ILE 92 7.120 -18.972 -14.944 670 3HD1 ILE 92 3HD1 ILE 92 8.023 -17.469 -14.773 671 HA PRO 93 HA PRO 93 3.914 -19.776 -17.647 672 1HB PRO 93 2HB PRO 93 1.368 -18.995 -17.079 673 2HB PRO 93 1HB PRO 93 2.500 -19.574 -15.843 674 1HG PRO 93 2HG PRO 93 1.700 -16.789 -16.518 675 2HG PRO 93 1HG PRO 93 2.026 -17.518 -14.939 676 1HD PRO 93 2HD PRO 93 3.808 -15.925 -16.270 677 2HD PRO 93 1HD PRO 93 4.276 -17.172 -15.098 678 H ALA 94 H ALA 94 4.729 -18.265 -19.727 679 HA ALA 94 HA ALA 94 2.358 -17.309 -21.242 680 1HB ALA 94 1HB ALA 94 4.163 -16.551 -22.820 681 2HB ALA 94 2HB ALA 94 5.351 -17.270 -21.732 682 3HB ALA 94 3HB ALA 94 4.356 -15.919 -21.186 Start of MODEL 20 1 1H ASN 1 1H ASN 1 -0.002 15.712 7.118 2 2H ASN 1 2H ASN 1 -1.572 15.070 7.035 3 3H ASN 1 3H ASN 1 -0.441 14.716 5.819 4 HA ASN 1 HA ASN 1 0.865 13.387 7.288 5 1HB ASN 1 2HB ASN 1 0.056 13.278 9.692 6 2HB ASN 1 1HB ASN 1 0.723 14.833 9.198 7 1HD2 ASN 1 1HD2 ASN 1 -2.477 13.153 9.218 8 2HD2 ASN 1 2HD2 ASN 1 -3.361 14.538 9.636 9 H ILE 2 H ILE 2 -1.119 12.794 5.472 10 HA ILE 2 HA ILE 2 -3.442 11.470 6.239 11 HB ILE 2 HB ILE 2 -2.590 11.851 3.930 12 1HG1 ILE 2 2HG1 ILE 2 -3.022 8.886 4.260 13 2HG1 ILE 2 1HG1 ILE 2 -4.319 10.022 4.630 14 1HG2 ILE 2 1HG2 ILE 2 -1.069 9.653 3.335 15 2HG2 ILE 2 2HG2 ILE 2 -0.489 10.053 4.951 16 3HG2 ILE 2 3HG2 ILE 2 -0.415 11.256 3.665 17 1HD1 ILE 2 1HD1 ILE 2 -3.214 9.224 2.023 18 2HD1 ILE 2 2HD1 ILE 2 -3.413 10.967 2.214 19 3HD1 ILE 2 3HD1 ILE 2 -4.798 9.894 2.415 20 H ASP 3 H ASP 3 -3.676 8.941 6.195 21 HA ASP 3 HA ASP 3 -2.211 7.872 8.456 22 1HB ASP 3 2HB ASP 3 -4.629 7.476 7.580 23 2HB ASP 3 1HB ASP 3 -3.877 6.296 6.504 24 H ARG 4 H ARG 4 -1.892 7.581 4.964 25 HA ARG 4 HA ARG 4 -0.216 6.580 3.666 26 1HB ARG 4 2HB ARG 4 1.614 7.463 4.695 27 2HB ARG 4 1HB ARG 4 0.873 7.305 6.282 28 1HG ARG 4 2HG ARG 4 1.484 4.838 6.190 29 2HG ARG 4 1HG ARG 4 2.448 5.220 4.766 30 1HD ARG 4 2HD ARG 4 3.895 5.297 6.739 31 2HD ARG 4 1HD ARG 4 3.656 6.956 6.155 32 HE ARG 4 HE ARG 4 1.826 7.156 7.882 33 1HH1 ARG 4 1HH2 ARG 4 2.107 4.080 8.402 34 2HH1 ARG 4 2HH2 ARG 4 2.836 4.116 9.975 35 1HH2 ARG 4 1HH1 ARG 4 3.671 7.476 9.800 36 2HH2 ARG 4 2HH1 ARG 4 3.718 6.040 10.766 37 HA PRO 5 HA PRO 5 -1.438 2.358 4.420 38 1HB PRO 5 2HB PRO 5 -0.706 1.389 1.977 39 2HB PRO 5 1HB PRO 5 -2.187 2.330 2.237 40 1HG PRO 5 2HG PRO 5 0.394 3.162 1.043 41 2HG PRO 5 1HG PRO 5 -1.249 3.707 0.681 42 1HD PRO 5 2HD PRO 5 0.608 5.097 2.219 43 2HD PRO 5 1HD PRO 5 -1.145 5.382 2.211 44 H LYS 6 H LYS 6 -0.187 0.137 3.807 45 HA LYS 6 HA LYS 6 2.637 0.055 3.582 46 1HB LYS 6 2HB LYS 6 1.650 1.121 6.032 47 2HB LYS 6 1HB LYS 6 2.360 -0.455 6.387 48 1HG LYS 6 2HG LYS 6 3.919 1.237 4.531 49 2HG LYS 6 1HG LYS 6 3.808 1.838 6.186 50 1HD LYS 6 2HD LYS 6 5.486 0.401 6.673 51 2HD LYS 6 1HD LYS 6 4.280 -0.879 6.522 52 1HE LYS 6 2HE LYS 6 4.829 -1.191 4.161 53 2HE LYS 6 1HE LYS 6 5.953 0.183 4.216 54 1HZ LYS 6 1HZ LYS 6 7.221 -1.789 4.573 55 2HZ LYS 6 2HZ LYS 6 6.138 -2.351 5.755 56 3HZ LYS 6 3HZ LYS 6 7.107 -0.990 6.064 57 H GLY 7 H GLY 7 3.258 -2.099 3.423 58 1HA GLY 7 2HA GLY 7 3.166 -4.445 3.793 59 2HA GLY 7 1HA GLY 7 1.753 -4.196 4.822 60 H LEU 8 H LEU 8 2.387 -3.339 1.401 61 HA LEU 8 HA LEU 8 -0.284 -4.002 0.565 62 1HB LEU 8 2HB LEU 8 0.500 -3.301 -1.527 63 2HB LEU 8 1HB LEU 8 1.643 -2.508 -0.447 64 HG LEU 8 HG LEU 8 2.864 -4.921 -0.783 65 1HD1 LEU 8 1HD1 LEU 8 2.691 -5.006 -3.452 66 2HD1 LEU 8 2HD1 LEU 8 1.068 -4.407 -3.112 67 3HD1 LEU 8 3HD1 LEU 8 1.605 -5.940 -2.424 68 1HD2 LEU 8 1HD2 LEU 8 4.496 -3.627 -1.723 69 2HD2 LEU 8 2HD2 LEU 8 3.407 -2.295 -1.336 70 3HD2 LEU 8 3HD2 LEU 8 3.410 -2.987 -2.958 71 H ALA 9 H ALA 9 -1.024 -5.882 -0.570 72 HA ALA 9 HA ALA 9 0.726 -8.292 -0.221 73 1HB ALA 9 1HB ALA 9 -1.404 -8.113 1.087 74 2HB ALA 9 2HB ALA 9 -1.381 -9.504 0.003 75 3HB ALA 9 3HB ALA 9 -2.290 -8.058 -0.437 76 H PHE 10 H PHE 10 -0.133 -10.101 -1.868 77 HA PHE 10 HA PHE 10 -0.500 -8.847 -4.568 78 1HB PHE 10 2HB PHE 10 1.517 -10.848 -3.553 79 2HB PHE 10 1HB PHE 10 1.124 -10.748 -5.270 80 HD1 PHE 10 HD1 PHE 10 2.061 -9.061 -6.632 81 HD2 PHE 10 HD2 PHE 10 2.272 -8.714 -2.357 82 HE1 PHE 10 HE1 PHE 10 3.570 -7.108 -6.866 83 HE2 PHE 10 HE2 PHE 10 3.782 -6.761 -2.590 84 HZ PHE 10 HZ PHE 10 4.431 -5.958 -4.844 85 H THR 11 H THR 11 -2.453 -9.624 -5.283 86 HA THR 11 HA THR 11 -3.727 -12.004 -4.288 87 HB THR 11 HB THR 11 -4.384 -10.883 -6.972 88 HG1 THR 11 HG1 THR 11 -4.554 -8.914 -6.288 89 1HG2 THR 11 1HG2 THR 11 -5.721 -12.507 -5.359 90 2HG2 THR 11 2HG2 THR 11 -6.565 -11.286 -6.313 91 3HG2 THR 11 3HG2 THR 11 -6.214 -10.988 -4.610 92 H ASP 12 H ASP 12 -1.971 -11.321 -7.331 93 HA ASP 12 HA ASP 12 -1.094 -14.098 -7.543 94 1HB ASP 12 2HB ASP 12 -3.596 -13.828 -8.301 95 2HB ASP 12 1HB ASP 12 -2.883 -13.125 -9.754 96 H VAL 13 H VAL 13 0.688 -14.233 -8.950 97 HA VAL 13 HA VAL 13 1.438 -11.693 -10.352 98 HB VAL 13 HB VAL 13 2.841 -12.379 -8.438 99 1HG1 VAL 13 1HG1 VAL 13 4.154 -14.495 -8.644 100 2HG1 VAL 13 2HG1 VAL 13 3.213 -14.906 -10.077 101 3HG1 VAL 13 3HG1 VAL 13 2.420 -14.785 -8.507 102 1HG2 VAL 13 1HG2 VAL 13 3.707 -11.549 -10.865 103 2HG2 VAL 13 2HG2 VAL 13 4.579 -13.077 -10.746 104 3HG2 VAL 13 3HG2 VAL 13 4.796 -11.839 -9.510 105 H ASP 14 H ASP 14 2.192 -11.856 -12.501 106 HA ASP 14 HA ASP 14 2.477 -14.514 -13.762 107 1HB ASP 14 2HB ASP 14 0.003 -13.591 -13.636 108 2HB ASP 14 1HB ASP 14 0.535 -12.579 -14.979 109 H VAL 15 H VAL 15 3.756 -14.389 -15.642 110 HA VAL 15 HA VAL 15 5.628 -12.389 -16.024 111 HB VAL 15 HB VAL 15 5.758 -14.536 -17.093 112 1HG1 VAL 15 1HG1 VAL 15 3.728 -14.156 -19.147 113 2HG1 VAL 15 2HG1 VAL 15 3.026 -14.160 -17.530 114 3HG1 VAL 15 3HG1 VAL 15 3.991 -15.530 -18.075 115 1HG2 VAL 15 1HG2 VAL 15 6.945 -13.028 -18.435 116 2HG2 VAL 15 2HG2 VAL 15 5.485 -12.188 -18.953 117 3HG2 VAL 15 3HG2 VAL 15 5.854 -13.787 -19.592 118 H ASP 16 H ASP 16 2.300 -12.458 -17.241 119 HA ASP 16 HA ASP 16 2.664 -9.627 -18.172 120 1HB ASP 16 2HB ASP 16 1.287 -10.222 -20.134 121 2HB ASP 16 1HB ASP 16 2.719 -11.247 -20.053 122 H SER 17 H SER 17 1.537 -10.707 -15.669 123 HA SER 17 HA SER 17 -0.945 -9.210 -15.619 124 1HB SER 17 2HB SER 17 -2.203 -10.909 -16.452 125 2HB SER 17 1HB SER 17 -0.901 -12.075 -16.245 126 HG SER 17 HG SER 17 -1.619 -12.543 -14.288 127 H ILE 18 H ILE 18 -0.655 -8.301 -13.611 128 HA ILE 18 HA ILE 18 0.020 -10.140 -11.346 129 HB ILE 18 HB ILE 18 1.120 -7.355 -11.837 130 1HG1 ILE 18 2HG1 ILE 18 2.477 -10.051 -12.162 131 2HG1 ILE 18 1HG1 ILE 18 1.908 -9.052 -13.500 132 1HG2 ILE 18 1HG2 ILE 18 2.177 -9.456 -9.946 133 2HG2 ILE 18 2HG2 ILE 18 0.901 -8.344 -9.448 134 3HG2 ILE 18 3HG2 ILE 18 2.476 -7.719 -9.936 135 1HD1 ILE 18 1HD1 ILE 18 4.324 -8.778 -11.871 136 2HD1 ILE 18 2HD1 ILE 18 3.401 -7.279 -11.980 137 3HD1 ILE 18 3HD1 ILE 18 3.950 -8.085 -13.448 138 H LYS 19 H LYS 19 -1.544 -9.989 -9.807 139 HA LYS 19 HA LYS 19 -3.264 -7.553 -9.710 140 1HB LYS 19 2HB LYS 19 -3.530 -10.360 -8.575 141 2HB LYS 19 1HB LYS 19 -4.743 -9.092 -8.396 142 1HG LYS 19 2HG LYS 19 -4.930 -8.936 -10.863 143 2HG LYS 19 1HG LYS 19 -3.754 -10.241 -11.022 144 1HD LYS 19 2HD LYS 19 -6.015 -11.153 -11.211 145 2HD LYS 19 1HD LYS 19 -5.268 -11.727 -9.720 146 1HE LYS 19 2HE LYS 19 -6.645 -10.430 -8.367 147 2HE LYS 19 1HE LYS 19 -6.877 -9.194 -9.621 148 1HZ LYS 19 1HZ LYS 19 -8.726 -10.978 -9.139 149 2HZ LYS 19 2HZ LYS 19 -7.774 -11.927 -10.179 150 3HZ LYS 19 3HZ LYS 19 -8.413 -10.447 -10.719 151 H ILE 20 H ILE 20 -3.028 -6.166 -7.984 152 HA ILE 20 HA ILE 20 -1.449 -7.170 -5.637 153 HB ILE 20 HB ILE 20 -0.315 -5.065 -5.622 154 1HG1 ILE 20 2HG1 ILE 20 -2.276 -4.162 -7.761 155 2HG1 ILE 20 1HG1 ILE 20 -2.357 -3.691 -6.063 156 1HG2 ILE 20 1HG2 ILE 20 -0.728 -5.993 -8.483 157 2HG2 ILE 20 2HG2 ILE 20 0.495 -6.584 -7.358 158 3HG2 ILE 20 3HG2 ILE 20 0.574 -4.927 -7.954 159 1HD1 ILE 20 1HD1 ILE 20 0.309 -3.268 -7.137 160 2HD1 ILE 20 2HD1 ILE 20 -0.768 -2.119 -6.344 161 3HD1 ILE 20 3HD1 ILE 20 -0.903 -2.400 -8.081 162 H ALA 21 H ALA 21 -2.024 -6.267 -3.586 163 HA ALA 21 HA ALA 21 -4.585 -4.727 -3.498 164 1HB ALA 21 1HB ALA 21 -3.893 -7.098 -1.741 165 2HB ALA 21 2HB ALA 21 -4.835 -7.246 -3.225 166 3HB ALA 21 3HB ALA 21 -5.455 -6.288 -1.881 167 H TRP 22 H TRP 22 -3.760 -2.818 -2.633 168 HA TRP 22 HA TRP 22 -1.728 -2.913 -0.483 169 1HB TRP 22 2HB TRP 22 -1.834 -0.431 -0.805 170 2HB TRP 22 1HB TRP 22 -1.527 -1.301 -2.307 171 HD1 TRP 22 HD1 TRP 22 -4.265 0.610 -0.448 172 HE1 TRP 22 HE1 TRP 22 -6.114 1.246 -2.129 173 HE3 TRP 22 HE3 TRP 22 -2.626 -1.927 -4.565 174 HZ2 TRP 22 HZ2 TRP 22 -6.802 0.748 -4.856 175 HZ3 TRP 22 HZ3 TRP 22 -3.898 -1.826 -6.693 176 HH2 TRP 22 HH2 TRP 22 -5.985 -0.491 -6.840 177 H GLU 23 H GLU 23 -2.125 -2.114 1.639 178 HA GLU 23 HA GLU 23 -4.773 -2.546 2.703 179 1HB GLU 23 2HB GLU 23 -2.058 -1.931 3.585 180 2HB GLU 23 1HB GLU 23 -3.273 -1.104 4.563 181 1HG GLU 23 2HG GLU 23 -4.457 -3.271 4.877 182 2HG GLU 23 1HG GLU 23 -3.177 -4.077 3.972 183 H SER 24 H SER 24 -6.446 -1.116 2.527 184 HA SER 24 HA SER 24 -6.239 1.547 1.544 185 1HB SER 24 2HB SER 24 -8.205 -0.315 2.331 186 2HB SER 24 1HB SER 24 -8.512 1.128 3.291 187 HG SER 24 HG SER 24 -8.121 1.069 0.475 188 HA PRO 25 HA PRO 25 -5.085 3.848 5.092 189 1HB PRO 25 2HB PRO 25 -6.420 6.192 4.663 190 2HB PRO 25 1HB PRO 25 -4.997 5.702 3.721 191 1HG PRO 25 2HG PRO 25 -7.878 5.587 2.994 192 2HG PRO 25 1HG PRO 25 -6.468 5.937 1.981 193 1HD PRO 25 2HD PRO 25 -7.773 3.514 2.036 194 2HD PRO 25 1HD PRO 25 -6.079 3.732 1.542 195 H GLN 26 H GLN 26 -6.364 5.516 6.737 196 HA GLN 26 HA GLN 26 -8.629 3.896 7.788 197 1HB GLN 26 2HB GLN 26 -6.650 5.874 8.903 198 2HB GLN 26 1HB GLN 26 -8.082 5.405 9.823 199 1HG GLN 26 2HG GLN 26 -7.287 2.956 9.186 200 2HG GLN 26 1HG GLN 26 -5.718 3.748 9.027 201 1HE2 GLN 26 1HE2 GLN 26 -5.153 5.227 11.011 202 2HE2 GLN 26 2HE2 GLN 26 -5.567 4.617 12.540 203 H GLY 27 H GLY 27 -7.756 7.350 7.491 204 1HA GLY 27 2HA GLY 27 -10.346 8.379 7.994 205 2HA GLY 27 1HA GLY 27 -9.106 9.220 7.063 206 H GLN 28 H GLN 28 -9.207 9.170 4.832 207 HA GLN 28 HA GLN 28 -10.808 7.326 3.323 208 1HB GLN 28 2HB GLN 28 -12.762 8.623 2.955 209 2HB GLN 28 1HB GLN 28 -12.459 8.768 4.684 210 1HG GLN 28 2HG GLN 28 -11.044 10.863 3.958 211 2HG GLN 28 1HG GLN 28 -12.058 10.793 2.517 212 1HE2 GLN 28 1HE2 GLN 28 -14.538 10.053 3.491 213 2HE2 GLN 28 2HE2 GLN 28 -15.103 11.192 4.617 214 H VAL 29 H VAL 29 -9.431 7.304 1.616 215 HA VAL 29 HA VAL 29 -8.023 9.698 0.705 216 HB VAL 29 HB VAL 29 -7.364 7.122 0.834 217 1HG1 VAL 29 1HG1 VAL 29 -9.136 6.325 -0.665 218 2HG1 VAL 29 2HG1 VAL 29 -7.559 6.050 -1.402 219 3HG1 VAL 29 3HG1 VAL 29 -8.562 7.397 -1.943 220 1HG2 VAL 29 1HG2 VAL 29 -6.542 8.685 -1.614 221 2HG2 VAL 29 2HG2 VAL 29 -5.566 7.581 -0.646 222 3HG2 VAL 29 3HG2 VAL 29 -6.030 9.153 0.008 223 H SER 30 H SER 30 -8.256 10.581 -1.463 224 HA SER 30 HA SER 30 -11.014 10.250 -2.567 225 1HB SER 30 2HB SER 30 -10.203 12.481 -1.799 226 2HB SER 30 1HB SER 30 -8.904 12.394 -2.987 227 HG SER 30 HG SER 30 -10.441 12.380 -4.611 228 H ARG 31 H ARG 31 -7.582 10.160 -3.437 229 HA ARG 31 HA ARG 31 -8.321 8.760 -5.969 230 1HB ARG 31 2HB ARG 31 -7.847 11.336 -6.085 231 2HB ARG 31 1HB ARG 31 -6.162 10.850 -5.892 232 1HG ARG 31 2HG ARG 31 -6.054 10.272 -8.061 233 2HG ARG 31 1HG ARG 31 -7.393 9.145 -7.841 234 1HD ARG 31 2HD ARG 31 -7.815 12.127 -8.223 235 2HD ARG 31 1HD ARG 31 -7.830 10.964 -9.564 236 HE ARG 31 HE ARG 31 -9.657 9.756 -8.294 237 1HH1 ARG 31 1HH1 ARG 31 -9.421 13.108 -8.596 238 2HH1 ARG 31 2HH1 ARG 31 -10.744 13.466 -7.536 239 1HH2 ARG 31 1HH2 ARG 31 -11.151 10.180 -6.505 240 2HH2 ARG 31 2HH2 ARG 31 -11.722 11.808 -6.351 241 H TYR 32 H TYR 32 -6.282 7.741 -6.950 242 HA TYR 32 HA TYR 32 -4.157 7.166 -4.945 243 1HB TYR 32 2HB TYR 32 -6.391 5.487 -5.608 244 2HB TYR 32 1HB TYR 32 -4.913 4.714 -6.184 245 HD1 TYR 32 HD1 TYR 32 -2.859 4.904 -4.461 246 HD2 TYR 32 HD2 TYR 32 -7.017 5.091 -3.400 247 HE1 TYR 32 HE1 TYR 32 -2.295 4.245 -2.138 248 HE2 TYR 32 HE2 TYR 32 -6.453 4.432 -1.076 249 HH TYR 32 HH TYR 32 -4.744 3.393 0.175 250 H ARG 33 H ARG 33 -2.621 8.174 -6.344 251 HA ARG 33 HA ARG 33 -2.446 7.617 -9.181 252 1HB ARG 33 2HB ARG 33 -1.576 9.611 -7.835 253 2HB ARG 33 1HB ARG 33 -0.263 8.559 -7.304 254 1HG ARG 33 2HG ARG 33 0.501 8.241 -9.570 255 2HG ARG 33 1HG ARG 33 -0.924 9.054 -10.219 256 1HD ARG 33 2HD ARG 33 0.560 10.838 -10.278 257 2HD ARG 33 1HD ARG 33 -0.009 11.024 -8.606 258 HE ARG 33 HE ARG 33 2.045 9.160 -8.423 259 1HH1 ARG 33 1HH1 ARG 33 1.986 12.120 -7.451 260 2HH1 ARG 33 2HH1 ARG 33 3.481 12.686 -8.118 261 1HH2 ARG 33 1HH2 ARG 33 3.862 9.977 -10.251 262 2HH2 ARG 33 2HH2 ARG 33 4.544 11.471 -9.699 263 H VAL 34 H VAL 34 -1.836 5.631 -9.993 264 HA VAL 34 HA VAL 34 -0.071 3.896 -8.309 265 HB VAL 34 HB VAL 34 -1.721 3.305 -10.778 266 1HG1 VAL 34 1HG1 VAL 34 0.222 1.769 -10.243 267 2HG1 VAL 34 2HG1 VAL 34 -1.360 0.988 -10.256 268 3HG1 VAL 34 3HG1 VAL 34 -0.590 1.396 -8.723 269 1HG2 VAL 34 1HG2 VAL 34 -2.919 2.040 -8.648 270 2HG2 VAL 34 2HG2 VAL 34 -3.456 3.574 -9.334 271 3HG2 VAL 34 3HG2 VAL 34 -2.395 3.562 -7.924 272 H THR 35 H THR 35 2.009 3.454 -8.976 273 HA THR 35 HA THR 35 2.768 4.142 -11.788 274 HB THR 35 HB THR 35 4.949 4.878 -10.290 275 HG1 THR 35 HG1 THR 35 4.332 5.430 -8.371 276 1HG2 THR 35 1HG2 THR 35 2.567 6.586 -11.061 277 2HG2 THR 35 2HG2 THR 35 3.920 6.171 -12.111 278 3HG2 THR 35 3HG2 THR 35 4.183 7.192 -10.699 279 H TYR 36 H TYR 36 4.357 2.791 -12.658 280 HA TYR 36 HA TYR 36 5.591 0.736 -10.876 281 1HB TYR 36 2HB TYR 36 4.990 -0.716 -13.139 282 2HB TYR 36 1HB TYR 36 3.996 -0.707 -11.686 283 HD1 TYR 36 HD1 TYR 36 4.072 -0.005 -15.197 284 HD2 TYR 36 HD2 TYR 36 2.189 1.157 -11.515 285 HE1 TYR 36 HE1 TYR 36 2.193 0.999 -16.473 286 HE2 TYR 36 HE2 TYR 36 0.317 2.159 -12.787 287 HH TYR 36 HH TYR 36 0.456 2.656 -16.182 288 H SER 37 H SER 37 7.641 -0.031 -11.671 289 HA SER 37 HA SER 37 8.582 1.237 -14.192 290 1HB SER 37 2HB SER 37 10.579 2.043 -13.003 291 2HB SER 37 1HB SER 37 9.113 2.700 -12.284 292 HG SER 37 HG SER 37 9.423 1.507 -10.547 293 H SER 38 H SER 38 10.670 0.364 -14.938 294 HA SER 38 HA SER 38 11.197 -2.424 -13.982 295 1HB SER 38 2HB SER 38 9.957 -1.559 -16.362 296 2HB SER 38 1HB SER 38 11.587 -2.038 -16.827 297 HG SER 38 HG SER 38 9.634 -3.559 -15.431 298 HA PRO 39 HA PRO 39 15.420 -1.303 -14.538 299 1HB PRO 39 2HB PRO 39 16.549 -3.607 -15.465 300 2HB PRO 39 1HB PRO 39 15.946 -3.428 -13.807 301 1HG PRO 39 2HG PRO 39 14.789 -4.913 -16.072 302 2HG PRO 39 1HG PRO 39 14.579 -5.159 -14.333 303 1HD PRO 39 2HD PRO 39 12.767 -3.888 -16.112 304 2HD PRO 39 1HD PRO 39 12.648 -3.982 -14.341 305 H GLU 40 H GLU 40 13.704 -0.705 -16.923 306 HA GLU 40 HA GLU 40 15.828 -0.233 -18.863 307 1HB GLU 40 2HB GLU 40 14.176 -2.644 -18.946 308 2HB GLU 40 1HB GLU 40 14.065 -1.713 -20.441 309 1HG GLU 40 2HG GLU 40 16.661 -1.575 -20.281 310 2HG GLU 40 1HG GLU 40 16.505 -2.927 -19.159 311 H ASP 41 H ASP 41 12.377 -0.908 -19.470 312 HA ASP 41 HA ASP 41 11.826 1.364 -21.020 313 1HB ASP 41 2HB ASP 41 10.373 -0.660 -19.468 314 2HB ASP 41 1HB ASP 41 9.483 0.855 -19.633 315 H GLY 42 H GLY 42 11.854 1.031 -17.506 316 1HA GLY 42 2HA GLY 42 12.457 2.987 -16.146 317 2HA GLY 42 1HA GLY 42 11.611 3.995 -17.319 318 H ILE 43 H ILE 43 10.116 4.900 -15.846 319 HA ILE 43 HA ILE 43 8.331 2.971 -14.432 320 HB ILE 43 HB ILE 43 9.684 4.731 -13.201 321 1HG1 ILE 43 2HG1 ILE 43 6.703 5.120 -12.883 322 2HG1 ILE 43 1HG1 ILE 43 7.488 3.607 -12.429 323 1HG2 ILE 43 1HG2 ILE 43 9.386 6.533 -14.851 324 2HG2 ILE 43 2HG2 ILE 43 8.758 7.026 -13.279 325 3HG2 ILE 43 3HG2 ILE 43 7.647 6.527 -14.555 326 1HD1 ILE 43 1HD1 ILE 43 8.160 4.522 -10.488 327 2HD1 ILE 43 2HD1 ILE 43 7.337 6.020 -10.922 328 3HD1 ILE 43 3HD1 ILE 43 9.027 5.780 -11.368 329 H HIS 44 H HIS 44 6.069 3.298 -14.484 330 HA HIS 44 HA HIS 44 5.065 5.007 -16.733 331 1HB HIS 44 2HB HIS 44 4.813 2.157 -16.081 332 2HB HIS 44 1HB HIS 44 3.250 2.932 -16.338 333 HD1 HIS 44 HD1 HIS 44 4.385 0.897 -18.400 334 HD2 HIS 44 HD2 HIS 44 4.856 5.027 -18.688 335 HE1 HIS 44 HE1 HIS 44 4.818 1.400 -20.846 336 H GLU 45 H GLU 45 2.574 5.422 -16.328 337 HA GLU 45 HA GLU 45 2.044 5.668 -13.393 338 1HB GLU 45 2HB GLU 45 2.024 7.793 -15.542 339 2HB GLU 45 1HB GLU 45 1.207 8.015 -13.994 340 1HG GLU 45 2HG GLU 45 3.199 8.023 -12.785 341 2HG GLU 45 1HG GLU 45 4.067 7.108 -14.019 342 H LEU 46 H LEU 46 -0.125 5.490 -12.822 343 HA LEU 46 HA LEU 46 -2.091 5.029 -15.044 344 1HB LEU 46 2HB LEU 46 -1.144 3.174 -13.307 345 2HB LEU 46 1HB LEU 46 -2.480 3.813 -12.357 346 HG LEU 46 HG LEU 46 -4.022 3.388 -14.235 347 1HD1 LEU 46 1HD1 LEU 46 -1.712 3.359 -15.766 348 2HD1 LEU 46 2HD1 LEU 46 -3.315 2.874 -16.319 349 3HD1 LEU 46 3HD1 LEU 46 -2.185 1.662 -15.715 350 1HD2 LEU 46 1HD2 LEU 46 -3.078 1.576 -12.474 351 2HD2 LEU 46 2HD2 LEU 46 -2.611 0.786 -13.980 352 3HD2 LEU 46 3HD2 LEU 46 -4.303 1.181 -13.680 353 H PHE 47 H PHE 47 -3.618 6.622 -15.025 354 HA PHE 47 HA PHE 47 -3.970 8.295 -12.628 355 1HB PHE 47 2HB PHE 47 -3.922 8.717 -15.342 356 2HB PHE 47 1HB PHE 47 -5.650 8.772 -14.985 357 HD1 PHE 47 HD1 PHE 47 -6.415 10.952 -14.669 358 HD2 PHE 47 HD2 PHE 47 -2.545 9.848 -13.165 359 HE1 PHE 47 HE1 PHE 47 -6.149 13.215 -13.689 360 HE2 PHE 47 HE2 PHE 47 -2.279 12.112 -12.187 361 HZ PHE 47 HZ PHE 47 -4.082 13.795 -12.448 362 HA PRO 48 HA PRO 48 -8.352 6.412 -13.212 363 1HB PRO 48 2HB PRO 48 -8.441 3.760 -13.888 364 2HB PRO 48 1HB PRO 48 -8.553 5.071 -15.079 365 1HG PRO 48 2HG PRO 48 -6.229 3.363 -14.357 366 2HG PRO 48 1HG PRO 48 -6.722 3.996 -15.936 367 1HD PRO 48 2HD PRO 48 -4.709 5.064 -14.430 368 2HD PRO 48 1HD PRO 48 -5.642 5.992 -15.617 369 H ALA 49 H ALA 49 -8.014 6.680 -10.972 370 HA ALA 49 HA ALA 49 -7.054 4.333 -9.418 371 1HB ALA 49 1HB ALA 49 -7.002 7.213 -9.261 372 2HB ALA 49 2HB ALA 49 -6.101 6.039 -8.304 373 3HB ALA 49 3HB ALA 49 -7.708 6.544 -7.791 374 HA PRO 50 HA PRO 50 -11.112 3.380 -8.024 375 1HB PRO 50 2HB PRO 50 -10.632 2.495 -5.493 376 2HB PRO 50 1HB PRO 50 -10.172 1.578 -6.941 377 1HG PRO 50 2HG PRO 50 -8.482 3.196 -5.122 378 2HG PRO 50 1HG PRO 50 -8.088 1.727 -6.025 379 1HD PRO 50 2HD PRO 50 -7.355 4.307 -6.759 380 2HD PRO 50 1HD PRO 50 -7.395 2.900 -7.844 381 H ASP 51 H ASP 51 -12.304 3.620 -5.564 382 HA ASP 51 HA ASP 51 -11.894 6.453 -4.698 383 1HB ASP 51 2HB ASP 51 -13.638 6.112 -6.532 384 2HB ASP 51 1HB ASP 51 -14.586 5.247 -5.323 385 H GLY 52 H GLY 52 -11.018 5.366 -2.768 386 1HA GLY 52 2HA GLY 52 -11.182 4.295 -0.665 387 2HA GLY 52 1HA GLY 52 -12.619 5.313 -0.534 388 H GLU 53 H GLU 53 -12.390 2.797 -2.965 389 HA GLU 53 HA GLU 53 -14.318 1.163 -1.386 390 1HB GLU 53 2HB GLU 53 -15.509 2.434 -3.060 391 2HB GLU 53 1HB GLU 53 -14.331 1.984 -4.296 392 1HG GLU 53 2HG GLU 53 -14.973 -0.406 -3.972 393 2HG GLU 53 1HG GLU 53 -16.233 0.123 -2.857 394 H GLU 54 H GLU 54 -12.140 1.109 -4.212 395 HA GLU 54 HA GLU 54 -11.771 -1.823 -3.897 396 1HB GLU 54 2HB GLU 54 -10.975 0.256 -5.942 397 2HB GLU 54 1HB GLU 54 -10.463 -1.426 -6.054 398 1HG GLU 54 2HG GLU 54 -13.228 -1.522 -5.543 399 2HG GLU 54 1HG GLU 54 -13.017 -0.249 -6.746 400 H ASP 55 H ASP 55 -10.052 -2.591 -2.747 401 HA ASP 55 HA ASP 55 -7.807 -0.732 -2.104 402 1HB ASP 55 2HB ASP 55 -8.643 -3.412 -0.947 403 2HB ASP 55 1HB ASP 55 -7.397 -2.352 -0.289 404 H THR 56 H THR 56 -8.381 -2.645 -4.589 405 HA THR 56 HA THR 56 -5.566 -3.667 -4.701 406 HB THR 56 HB THR 56 -6.520 -5.760 -5.700 407 HG1 THR 56 HG1 THR 56 -8.513 -5.621 -6.292 408 1HG2 THR 56 1HG2 THR 56 -7.986 -5.700 -3.176 409 2HG2 THR 56 2HG2 THR 56 -6.372 -5.005 -3.032 410 3HG2 THR 56 3HG2 THR 56 -6.573 -6.652 -3.629 411 H ALA 57 H ALA 57 -5.356 -4.604 -7.171 412 HA ALA 57 HA ALA 57 -6.828 -2.977 -9.135 413 1HB ALA 57 1HB ALA 57 -4.663 -1.901 -9.895 414 2HB ALA 57 2HB ALA 57 -3.917 -2.532 -8.426 415 3HB ALA 57 3HB ALA 57 -5.232 -1.362 -8.315 416 H GLU 58 H GLU 58 -6.284 -3.601 -11.348 417 HA GLU 58 HA GLU 58 -4.987 -6.299 -11.511 418 1HB GLU 58 2HB GLU 58 -7.423 -5.062 -12.518 419 2HB GLU 58 1HB GLU 58 -6.482 -5.792 -13.819 420 1HG GLU 58 2HG GLU 58 -7.427 -7.751 -13.189 421 2HG GLU 58 1HG GLU 58 -6.325 -7.690 -11.811 422 H LEU 59 H LEU 59 -2.827 -5.420 -11.819 423 HA LEU 59 HA LEU 59 -2.345 -3.640 -14.125 424 1HB LEU 59 2HB LEU 59 -0.759 -4.900 -11.896 425 2HB LEU 59 1HB LEU 59 0.086 -4.217 -13.285 426 HG LEU 59 HG LEU 59 -2.003 -2.671 -11.742 427 1HD1 LEU 59 1HD1 LEU 59 0.989 -2.405 -11.401 428 2HD1 LEU 59 2HD1 LEU 59 0.017 -3.435 -10.349 429 3HD1 LEU 59 3HD1 LEU 59 -0.287 -1.699 -10.410 430 1HD2 LEU 59 1HD2 LEU 59 -1.570 -1.037 -13.241 431 2HD2 LEU 59 2HD2 LEU 59 -0.684 -2.241 -14.178 432 3HD2 LEU 59 3HD2 LEU 59 0.170 -1.218 -13.024 433 H GLN 60 H GLN 60 -2.973 -4.960 -15.894 434 HA GLN 60 HA GLN 60 -1.451 -7.519 -16.191 435 1HB GLN 60 2HB GLN 60 -3.942 -6.636 -17.650 436 2HB GLN 60 1HB GLN 60 -3.345 -8.278 -17.423 437 1HG GLN 60 2HG GLN 60 -3.813 -8.174 -15.026 438 2HG GLN 60 1HG GLN 60 -4.274 -6.475 -15.158 439 1HE2 GLN 60 1HE2 GLN 60 -6.023 -6.239 -17.135 440 2HE2 GLN 60 2HE2 GLN 60 -7.325 -7.323 -17.008 441 H GLY 61 H GLY 61 -0.240 -7.869 -18.064 442 1HA GLY 61 2HA GLY 61 0.531 -7.411 -20.291 443 2HA GLY 61 1HA GLY 61 -0.348 -5.882 -20.255 444 H LEU 62 H LEU 62 2.366 -7.476 -18.526 445 HA LEU 62 HA LEU 62 3.742 -4.802 -18.497 446 1HB LEU 62 2HB LEU 62 4.284 -6.992 -16.507 447 2HB LEU 62 1HB LEU 62 4.426 -5.247 -16.300 448 HG LEU 62 HG LEU 62 1.819 -6.780 -16.577 449 1HD1 LEU 62 1HD1 LEU 62 3.360 -5.678 -14.236 450 2HD1 LEU 62 2HD1 LEU 62 2.574 -7.248 -14.406 451 3HD1 LEU 62 3HD1 LEU 62 1.602 -5.796 -14.163 452 1HD2 LEU 62 1HD2 LEU 62 2.228 -4.215 -17.331 453 2HD2 LEU 62 2HD2 LEU 62 1.949 -3.964 -15.608 454 3HD2 LEU 62 3HD2 LEU 62 0.720 -4.758 -16.593 455 H ARG 63 H ARG 63 6.187 -5.947 -17.445 456 HA ARG 63 HA ARG 63 7.393 -6.879 -19.948 457 1HB ARG 63 2HB ARG 63 8.177 -5.398 -17.784 458 2HB ARG 63 1HB ARG 63 8.921 -6.954 -17.421 459 1HG ARG 63 2HG ARG 63 9.406 -6.583 -20.148 460 2HG ARG 63 1HG ARG 63 9.663 -4.990 -19.435 461 1HD ARG 63 2HD ARG 63 11.312 -5.833 -17.905 462 2HD ARG 63 1HD ARG 63 10.898 -7.515 -18.294 463 HE ARG 63 HE ARG 63 11.706 -5.888 -20.603 464 1HH1 ARG 63 1HH2 ARG 63 13.625 -6.583 -18.080 465 2HH1 ARG 63 2HH2 ARG 63 14.615 -7.770 -18.864 466 1HH2 ARG 63 1HH1 ARG 63 12.540 -8.057 -21.629 467 2HH2 ARG 63 2HH1 ARG 63 13.996 -8.610 -20.871 468 HA PRO 64 HA PRO 64 7.061 -11.134 -18.852 469 1HB PRO 64 2HB PRO 64 8.569 -12.152 -20.882 470 2HB PRO 64 1HB PRO 64 6.923 -11.530 -21.118 471 1HG PRO 64 2HG PRO 64 9.513 -10.317 -21.848 472 2HG PRO 64 1HG PRO 64 7.915 -10.091 -22.572 473 1HD PRO 64 2HD PRO 64 9.223 -8.335 -20.788 474 2HD PRO 64 1HD PRO 64 7.531 -8.245 -21.321 475 H GLY 65 H GLY 65 8.256 -11.459 -16.936 476 1HA GLY 65 2HA GLY 65 10.058 -12.445 -15.757 477 2HA GLY 65 1HA GLY 65 10.971 -12.495 -17.264 478 H SER 66 H SER 66 9.830 -10.233 -14.762 479 HA SER 66 HA SER 66 12.437 -8.915 -14.689 480 1HB SER 66 2HB SER 66 10.474 -8.102 -16.580 481 2HB SER 66 1HB SER 66 10.574 -6.836 -15.359 482 HG SER 66 HG SER 66 12.636 -6.492 -15.872 483 H GLU 67 H GLU 67 12.670 -7.916 -12.695 484 HA GLU 67 HA GLU 67 10.667 -8.209 -10.666 485 1HB GLU 67 2HB GLU 67 13.251 -7.941 -10.564 486 2HB GLU 67 1HB GLU 67 12.924 -6.206 -10.633 487 1HG GLU 67 2HG GLU 67 12.162 -6.147 -8.500 488 2HG GLU 67 1HG GLU 67 11.241 -7.640 -8.698 489 H TYR 68 H TYR 68 8.743 -7.178 -11.561 490 HA TYR 68 HA TYR 68 8.699 -4.427 -12.428 491 1HB TYR 68 2HB TYR 68 7.043 -6.609 -12.495 492 2HB TYR 68 1HB TYR 68 6.252 -5.609 -11.274 493 HD1 TYR 68 HD1 TYR 68 8.240 -4.594 -14.278 494 HD2 TYR 68 HD2 TYR 68 4.398 -4.644 -12.355 495 HE1 TYR 68 HE1 TYR 68 7.328 -3.134 -16.061 496 HE2 TYR 68 HE2 TYR 68 3.487 -3.184 -14.140 497 HH TYR 68 HH TYR 68 3.911 -2.096 -16.016 498 H THR 69 H THR 69 9.368 -2.872 -10.960 499 HA THR 69 HA THR 69 8.650 -3.089 -8.106 500 HB THR 69 HB THR 69 10.078 -0.936 -9.698 501 HG1 THR 69 HG1 THR 69 11.910 -2.017 -9.201 502 1HG2 THR 69 1HG2 THR 69 9.581 0.098 -7.684 503 2HG2 THR 69 2HG2 THR 69 11.108 -0.686 -7.276 504 3HG2 THR 69 3HG2 THR 69 9.581 -1.421 -6.786 505 H VAL 70 H VAL 70 6.292 -2.907 -8.370 506 HA VAL 70 HA VAL 70 5.196 -0.459 -9.559 507 HB VAL 70 HB VAL 70 3.848 -2.631 -7.947 508 1HG1 VAL 70 1HG1 VAL 70 2.202 -1.045 -8.261 509 2HG1 VAL 70 2HG1 VAL 70 2.060 -1.892 -9.802 510 3HG1 VAL 70 3HG1 VAL 70 2.967 -0.383 -9.705 511 1HG2 VAL 70 1HG2 VAL 70 5.125 -2.685 -10.583 512 2HG2 VAL 70 2HG2 VAL 70 3.419 -3.127 -10.654 513 3HG2 VAL 70 3HG2 VAL 70 4.518 -4.024 -9.607 514 H SER 71 H SER 71 4.677 1.371 -8.442 515 HA SER 71 HA SER 71 4.887 1.284 -5.453 516 1HB SER 71 2HB SER 71 5.124 3.745 -7.161 517 2HB SER 71 1HB SER 71 5.859 3.416 -5.594 518 HG SER 71 HG SER 71 7.205 3.264 -7.607 519 H VAL 72 H VAL 72 3.073 1.882 -4.312 520 HA VAL 72 HA VAL 72 0.731 2.902 -5.875 521 HB VAL 72 HB VAL 72 0.950 1.528 -3.178 522 1HG1 VAL 72 1HG1 VAL 72 -1.031 3.066 -3.520 523 2HG1 VAL 72 2HG1 VAL 72 -1.452 1.378 -3.231 524 3HG1 VAL 72 3HG1 VAL 72 -1.510 2.034 -4.867 525 1HG2 VAL 72 1HG2 VAL 72 -0.039 0.456 -5.840 526 2HG2 VAL 72 2HG2 VAL 72 0.121 -0.449 -4.334 527 3HG2 VAL 72 3HG2 VAL 72 1.561 0.126 -5.174 528 H VAL 73 H VAL 73 0.054 4.986 -5.468 529 HA VAL 73 HA VAL 73 1.089 6.326 -2.988 530 HB VAL 73 HB VAL 73 0.615 7.415 -5.780 531 1HG1 VAL 73 1HG1 VAL 73 1.325 9.516 -4.991 532 2HG1 VAL 73 2HG1 VAL 73 2.028 8.831 -3.526 533 3HG1 VAL 73 3HG1 VAL 73 0.275 8.941 -3.695 534 1HG2 VAL 73 1HG2 VAL 73 2.679 5.857 -5.017 535 2HG2 VAL 73 2HG2 VAL 73 3.281 7.418 -4.457 536 3HG2 VAL 73 3HG2 VAL 73 2.872 7.189 -6.157 537 H ALA 74 H ALA 74 -0.600 6.773 -1.635 538 HA ALA 74 HA ALA 74 -3.373 6.864 -2.570 539 1HB ALA 74 1HB ALA 74 -2.319 6.050 -0.323 540 2HB ALA 74 2HB ALA 74 -3.850 6.921 -0.259 541 3HB ALA 74 3HB ALA 74 -2.344 7.757 0.120 542 H LEU 75 H LEU 75 -4.761 8.795 -2.316 543 HA LEU 75 HA LEU 75 -3.241 11.374 -2.272 544 1HB LEU 75 2HB LEU 75 -5.382 10.447 -4.202 545 2HB LEU 75 1HB LEU 75 -4.712 12.078 -4.163 546 HG LEU 75 HG LEU 75 -3.024 9.593 -4.518 547 1HD1 LEU 75 1HD1 LEU 75 -4.447 11.362 -6.491 548 2HD1 LEU 75 2HD1 LEU 75 -4.276 9.607 -6.496 549 3HD1 LEU 75 3HD1 LEU 75 -2.905 10.627 -6.931 550 1HD2 LEU 75 1HD2 LEU 75 -1.241 11.043 -4.818 551 2HD2 LEU 75 2HD2 LEU 75 -2.194 11.987 -3.676 552 3HD2 LEU 75 3HD2 LEU 75 -2.267 12.353 -5.399 553 H HIS 76 H HIS 76 -4.181 12.919 -1.018 554 HA HIS 76 HA HIS 76 -6.908 12.376 0.093 555 1HB HIS 76 2HB HIS 76 -4.666 12.667 1.446 556 2HB HIS 76 1HB HIS 76 -4.915 14.385 1.132 557 HD1 HIS 76 HD1 HIS 76 -5.550 15.010 3.541 558 HD2 HIS 76 HD2 HIS 76 -7.956 12.006 1.939 559 HE1 HIS 76 HE1 HIS 76 -7.493 14.717 5.141 560 H ASP 77 H ASP 77 -7.365 15.089 0.939 561 HA ASP 77 HA ASP 77 -8.708 16.287 -1.164 562 1HB ASP 77 2HB ASP 77 -7.139 17.494 1.132 563 2HB ASP 77 1HB ASP 77 -8.239 18.434 0.124 564 H ASP 78 H ASP 78 -5.297 16.810 -0.273 565 HA ASP 78 HA ASP 78 -4.580 17.354 -3.074 566 1HB ASP 78 2HB ASP 78 -4.579 19.445 -0.878 567 2HB ASP 78 1HB ASP 78 -3.653 19.629 -2.369 568 H MET 79 H MET 79 -3.657 15.261 -1.571 569 HA MET 79 HA MET 79 -0.881 16.112 -0.806 570 1HB MET 79 2HB MET 79 -2.839 14.215 0.505 571 2HB MET 79 1HB MET 79 -1.115 14.180 0.877 572 1HG MET 79 2HG MET 79 -1.611 16.846 1.106 573 2HG MET 79 1HG MET 79 -3.163 16.185 1.619 574 1HE MET 79 1HE MET 79 0.983 15.749 3.328 575 2HE MET 79 2HE MET 79 0.194 17.325 3.335 576 3HE MET 79 3HE MET 79 0.403 16.461 1.814 577 H GLU 80 H GLU 80 0.391 13.816 -0.527 578 HA GLU 80 HA GLU 80 -0.292 11.901 -2.678 579 1HB GLU 80 2HB GLU 80 1.777 14.026 -2.794 580 2HB GLU 80 1HB GLU 80 2.303 12.429 -3.324 581 1HG GLU 80 2HG GLU 80 0.443 12.305 -4.910 582 2HG GLU 80 1HG GLU 80 -0.164 13.863 -4.346 583 H SER 81 H SER 81 -0.422 10.844 -0.390 584 HA SER 81 HA SER 81 1.569 10.334 1.415 585 1HB SER 81 2HB SER 81 -0.817 9.301 0.952 586 2HB SER 81 1HB SER 81 0.114 8.001 0.215 587 HG SER 81 HG SER 81 1.098 7.621 2.142 588 H GLN 82 H GLN 82 3.422 9.005 1.548 589 HA GLN 82 HA GLN 82 5.229 8.785 -0.493 590 1HB GLN 82 2HB GLN 82 4.716 7.553 2.085 591 2HB GLN 82 1HB GLN 82 5.527 6.426 0.997 592 1HG GLN 82 2HG GLN 82 7.409 7.502 1.720 593 2HG GLN 82 1HG GLN 82 6.950 8.681 0.490 594 1HE2 GLN 82 1HE2 GLN 82 5.187 10.343 1.421 595 2HE2 GLN 82 2HE2 GLN 82 5.542 10.962 2.961 596 HA PRO 83 HA PRO 83 3.551 5.884 -3.318 597 1HB PRO 83 2HB PRO 83 5.851 5.288 -4.672 598 2HB PRO 83 1HB PRO 83 4.979 6.820 -4.880 599 1HG PRO 83 2HG PRO 83 7.423 6.236 -3.285 600 2HG PRO 83 1HG PRO 83 7.009 7.673 -4.233 601 1HD PRO 83 2HD PRO 83 6.804 7.538 -1.498 602 2HD PRO 83 1HD PRO 83 5.832 8.628 -2.512 603 H LEU 84 H LEU 84 3.051 4.172 -1.791 604 HA LEU 84 HA LEU 84 4.835 2.421 -0.509 605 1HB LEU 84 2HB LEU 84 2.401 2.484 -0.181 606 2HB LEU 84 1HB LEU 84 2.153 1.883 -1.818 607 HG LEU 84 HG LEU 84 3.177 -0.230 -1.284 608 1HD1 LEU 84 1HD1 LEU 84 3.728 -0.323 1.391 609 2HD1 LEU 84 2HD1 LEU 84 4.219 1.326 1.003 610 3HD1 LEU 84 3HD1 LEU 84 4.943 -0.034 0.144 611 1HD2 LEU 84 1HD2 LEU 84 0.844 -0.056 -0.602 612 2HD2 LEU 84 2HD2 LEU 84 1.312 0.700 0.921 613 3HD2 LEU 84 3HD2 LEU 84 1.718 -0.987 0.614 614 H ILE 85 H ILE 85 6.515 1.369 -1.498 615 HA ILE 85 HA ILE 85 6.491 0.692 -4.328 616 HB ILE 85 HB ILE 85 8.312 0.235 -1.967 617 1HG1 ILE 85 2HG1 ILE 85 8.225 2.501 -2.882 618 2HG1 ILE 85 1HG1 ILE 85 9.766 1.759 -3.313 619 1HG2 ILE 85 1HG2 ILE 85 8.614 -0.741 -4.820 620 2HG2 ILE 85 2HG2 ILE 85 8.667 -1.706 -3.345 621 3HG2 ILE 85 3HG2 ILE 85 9.975 -0.579 -3.709 622 1HD1 ILE 85 1HD1 ILE 85 9.020 2.737 -5.334 623 2HD1 ILE 85 2HD1 ILE 85 7.355 2.218 -5.067 624 3HD1 ILE 85 3HD1 ILE 85 8.590 1.034 -5.498 625 H GLY 86 H GLY 86 6.460 -1.408 -5.226 626 1HA GLY 86 2HA GLY 86 5.858 -3.694 -3.437 627 2HA GLY 86 1HA GLY 86 4.671 -3.296 -4.683 628 H THR 87 H THR 87 8.112 -4.099 -4.248 629 HA THR 87 HA THR 87 8.545 -4.648 -7.077 630 HB THR 87 HB THR 87 10.207 -5.637 -4.767 631 HG1 THR 87 HG1 THR 87 10.279 -3.659 -4.106 632 1HG2 THR 87 1HG2 THR 87 12.009 -5.427 -6.259 633 2HG2 THR 87 2HG2 THR 87 11.134 -4.302 -7.299 634 3HG2 THR 87 3HG2 THR 87 10.705 -6.013 -7.291 635 H GLN 88 H GLN 88 8.376 -6.615 -8.126 636 HA GLN 88 HA GLN 88 8.189 -9.138 -6.613 637 1HB GLN 88 2HB GLN 88 5.924 -8.383 -6.409 638 2HB GLN 88 1HB GLN 88 5.882 -7.855 -8.093 639 1HG GLN 88 2HG GLN 88 4.687 -9.986 -7.854 640 2HG GLN 88 1HG GLN 88 6.144 -10.215 -8.822 641 1HE2 GLN 88 1HE2 GLN 88 6.305 -12.494 -8.186 642 2HE2 GLN 88 2HE2 GLN 88 6.792 -12.934 -6.621 643 H SER 89 H SER 89 9.133 -10.709 -7.865 644 HA SER 89 HA SER 89 10.063 -10.136 -10.550 645 1HB SER 89 2HB SER 89 9.987 -12.527 -8.717 646 2HB SER 89 1HB SER 89 10.649 -12.651 -10.344 647 HG SER 89 HG SER 89 12.389 -11.952 -9.363 648 H THR 90 H THR 90 8.853 -10.342 -12.402 649 HA THR 90 HA THR 90 6.217 -11.600 -12.348 650 HB THR 90 HB THR 90 7.457 -10.942 -14.937 651 HG1 THR 90 HG1 THR 90 8.214 -9.065 -14.416 652 1HG2 THR 90 1HG2 THR 90 4.918 -10.959 -13.737 653 2HG2 THR 90 2HG2 THR 90 5.313 -10.421 -15.368 654 3HG2 THR 90 3HG2 THR 90 5.279 -9.260 -14.041 655 H ALA 91 H ALA 91 5.727 -13.676 -12.996 656 HA ALA 91 HA ALA 91 7.658 -15.715 -13.279 657 1HB ALA 91 1HB ALA 91 5.130 -16.078 -14.751 658 2HB ALA 91 2HB ALA 91 4.927 -15.484 -13.103 659 3HB ALA 91 3HB ALA 91 5.780 -16.999 -13.395 660 H ILE 92 H ILE 92 7.300 -17.154 -15.519 661 HA ILE 92 HA ILE 92 7.843 -15.348 -17.837 662 HB ILE 92 HB ILE 92 9.720 -17.169 -18.299 663 1HG1 ILE 92 2HG1 ILE 92 10.733 -17.999 -16.201 664 2HG1 ILE 92 1HG1 ILE 92 9.429 -17.260 -15.271 665 1HG2 ILE 92 1HG2 ILE 92 11.272 -15.617 -17.528 666 2HG2 ILE 92 2HG2 ILE 92 10.355 -15.274 -16.061 667 3HG2 ILE 92 3HG2 ILE 92 9.818 -14.622 -17.609 668 1HD1 ILE 92 1HD1 ILE 92 7.922 -18.878 -15.845 669 2HD1 ILE 92 2HD1 ILE 92 9.378 -19.838 -16.103 670 3HD1 ILE 92 3HD1 ILE 92 8.583 -19.059 -17.469 671 HA PRO 93 HA PRO 93 5.336 -18.256 -19.950 672 1HB PRO 93 2HB PRO 93 6.190 -17.866 -22.514 673 2HB PRO 93 1HB PRO 93 5.175 -16.701 -21.640 674 1HG PRO 93 2HG PRO 93 8.091 -16.623 -22.195 675 2HG PRO 93 1HG PRO 93 6.921 -15.298 -22.098 676 1HD PRO 93 2HD PRO 93 8.706 -15.969 -20.097 677 2HD PRO 93 1HD PRO 93 7.203 -15.055 -19.850 678 H ALA 94 H ALA 94 6.638 -20.037 -18.857 679 HA ALA 94 HA ALA 94 8.649 -21.338 -20.626 680 1HB ALA 94 1HB ALA 94 9.132 -22.636 -18.594 681 2HB ALA 94 2HB ALA 94 7.730 -21.927 -17.794 682 3HB ALA 94 3HB ALA 94 9.110 -20.914 -18.216
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:52:26 PM GMT (wattos1)