NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5822 | 1hzl | 4947 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -17.887 -5.884 4.298 2 2H ALA 1 2H ALA 1 -16.581 -6.902 4.678 3 3H ALA 1 3H ALA 1 -17.783 -7.431 3.603 4 HA ALA 1 HA ALA 1 -17.042 -5.294 2.268 5 1HB ALA 1 1HB ALA 1 -14.865 -6.033 4.216 6 2HB ALA 1 2HB ALA 1 -15.495 -4.433 3.824 7 3HB ALA 1 3HB ALA 1 -14.461 -5.280 2.674 8 HA PRO 2 HA PRO 2 -15.946 -8.513 -0.497 9 1HB PRO 2 2HB PRO 2 -14.318 -7.222 -2.276 10 2HB PRO 2 1HB PRO 2 -16.074 -6.971 -2.209 11 1HG PRO 2 2HG PRO 2 -13.879 -5.270 -1.147 12 2HG PRO 2 1HG PRO 2 -15.423 -4.801 -1.878 13 1HD PRO 2 2HD PRO 2 -14.931 -4.785 0.828 14 2HD PRO 2 1HD PRO 2 -16.548 -4.940 0.107 15 H ALA 3 H ALA 3 -13.624 -9.102 -1.842 16 HA ALA 3 HA ALA 3 -11.442 -9.105 0.202 17 1HB ALA 3 1HB ALA 3 -11.250 -11.501 0.020 18 2HB ALA 3 2HB ALA 3 -12.405 -11.544 -1.312 19 3HB ALA 3 3HB ALA 3 -12.951 -11.140 0.314 20 H PHE 4 H PHE 4 -9.398 -10.132 -0.866 21 HA PHE 4 HA PHE 4 -9.227 -9.789 -3.801 22 1HB PHE 4 2HB PHE 4 -9.026 -7.517 -2.938 23 2HB PHE 4 1HB PHE 4 -7.831 -8.037 -1.752 24 HD1 PHE 4 HD1 PHE 4 -8.285 -6.614 -4.946 25 HD2 PHE 4 HD2 PHE 4 -5.710 -9.275 -2.770 26 HE1 PHE 4 HE1 PHE 4 -6.479 -6.212 -6.594 27 HE2 PHE 4 HE2 PHE 4 -3.904 -8.876 -4.420 28 HZ PHE 4 HZ PHE 4 -4.288 -7.341 -6.333 29 H SER 5 H SER 5 -7.628 -11.212 -4.594 30 HA SER 5 HA SER 5 -5.468 -12.071 -2.717 31 1HB SER 5 2HB SER 5 -7.708 -13.699 -3.843 32 2HB SER 5 1HB SER 5 -6.138 -14.474 -3.639 33 HG SER 5 HG SER 5 -7.973 -13.625 -1.768 34 H VAL 6 H VAL 6 -3.706 -13.158 -3.808 35 HA VAL 6 HA VAL 6 -3.609 -12.758 -6.782 36 HB VAL 6 HB VAL 6 -2.370 -11.068 -5.392 37 1HG1 VAL 6 1HG1 VAL 6 -0.688 -13.449 -4.580 38 2HG1 VAL 6 2HG1 VAL 6 -1.903 -12.705 -3.543 39 3HG1 VAL 6 3HG1 VAL 6 -0.493 -11.779 -4.051 40 1HG2 VAL 6 1HG2 VAL 6 -1.587 -12.010 -7.692 41 2HG2 VAL 6 2HG2 VAL 6 -0.365 -12.868 -6.755 42 3HG2 VAL 6 3HG2 VAL 6 -0.420 -11.104 -6.729 43 H SER 7 H SER 7 -2.452 -14.476 -7.916 44 HA SER 7 HA SER 7 -2.519 -17.050 -6.692 45 1HB SER 7 2HB SER 7 -2.603 -17.008 -9.025 46 2HB SER 7 1HB SER 7 -1.293 -15.845 -9.159 47 HG SER 7 HG SER 7 -0.468 -17.833 -9.698 48 HA PRO 8 HA PRO 8 2.039 -17.009 -5.695 49 1HB PRO 8 2HB PRO 8 3.833 -15.388 -6.936 50 2HB PRO 8 1HB PRO 8 3.296 -16.926 -7.633 51 1HG PRO 8 2HG PRO 8 2.528 -14.167 -8.341 52 2HG PRO 8 1HG PRO 8 2.664 -15.596 -9.370 53 1HD PRO 8 2HD PRO 8 0.279 -14.523 -8.403 54 2HD PRO 8 1HD PRO 8 0.507 -16.164 -9.035 55 H ALA 9 H ALA 9 3.561 -15.708 -4.291 56 HA ALA 9 HA ALA 9 2.971 -12.858 -3.885 57 1HB ALA 9 1HB ALA 9 1.942 -13.121 -1.723 58 2HB ALA 9 2HB ALA 9 2.251 -14.856 -1.730 59 3HB ALA 9 3HB ALA 9 1.074 -14.165 -2.848 60 H SER 10 H SER 10 5.240 -14.958 -4.185 61 HA SER 10 HA SER 10 7.117 -13.630 -2.403 62 1HB SER 10 2HB SER 10 5.654 -15.730 -1.341 63 2HB SER 10 1HB SER 10 7.149 -16.511 -1.844 64 HG SER 10 HG SER 10 7.886 -15.694 -0.048 65 H GLY 11 H GLY 11 9.227 -13.939 -3.157 66 1HA GLY 11 2HA GLY 11 10.957 -14.727 -4.538 67 2HA GLY 11 1HA GLY 11 9.989 -16.175 -4.820 68 H LEU 12 H LEU 12 8.793 -12.936 -5.430 69 HA LEU 12 HA LEU 12 7.977 -13.554 -8.117 70 1HB LEU 12 2HB LEU 12 8.361 -10.902 -6.700 71 2HB LEU 12 1HB LEU 12 7.345 -11.185 -8.115 72 HG LEU 12 HG LEU 12 6.987 -12.460 -5.391 73 1HD1 LEU 12 1HD1 LEU 12 6.350 -10.050 -5.564 74 2HD1 LEU 12 2HD1 LEU 12 4.970 -11.107 -5.269 75 3HD1 LEU 12 3HD1 LEU 12 5.262 -10.469 -6.887 76 1HD2 LEU 12 1HD2 LEU 12 4.723 -12.759 -7.079 77 2HD2 LEU 12 2HD2 LEU 12 5.789 -14.026 -6.474 78 3HD2 LEU 12 3HD2 LEU 12 6.131 -13.250 -8.020 79 H SER 13 H SER 13 8.743 -11.127 -9.423 80 HA SER 13 HA SER 13 11.640 -10.843 -9.493 81 1HB SER 13 2HB SER 13 10.578 -13.114 -10.690 82 2HB SER 13 1HB SER 13 10.780 -12.006 -12.043 83 HG SER 13 HG SER 13 12.952 -11.661 -10.874 84 H ASP 14 H ASP 14 12.278 -9.217 -11.091 85 HA ASP 14 HA ASP 14 10.300 -7.203 -11.600 86 1HB ASP 14 2HB ASP 14 12.962 -7.248 -11.451 87 2HB ASP 14 1HB ASP 14 12.821 -7.414 -13.202 88 H GLY 15 H GLY 15 8.925 -6.974 -13.321 89 1HA GLY 15 2HA GLY 15 8.165 -7.175 -15.569 90 2HA GLY 15 1HA GLY 15 9.496 -8.288 -15.883 91 H GLN 16 H GLN 16 8.839 -9.887 -13.456 92 HA GLN 16 HA GLN 16 7.312 -11.953 -14.561 93 1HB GLN 16 2HB GLN 16 8.574 -12.362 -12.596 94 2HB GLN 16 1HB GLN 16 7.833 -11.010 -11.746 95 1HG GLN 16 2HG GLN 16 5.983 -12.209 -11.157 96 2HG GLN 16 1HG GLN 16 5.956 -13.102 -12.676 97 1HE2 GLN 16 1HE2 GLN 16 5.790 -14.156 -9.861 98 2HE2 GLN 16 2HE2 GLN 16 7.062 -15.263 -9.726 99 H SER 17 H SER 17 5.145 -12.333 -14.805 100 HA SER 17 HA SER 17 3.258 -10.222 -13.844 101 1HB SER 17 2HB SER 17 1.898 -11.006 -15.764 102 2HB SER 17 1HB SER 17 3.503 -10.507 -16.281 103 HG SER 17 HG SER 17 2.507 -12.692 -16.932 104 H VAL 18 H VAL 18 1.954 -10.884 -12.193 105 HA VAL 18 HA VAL 18 1.677 -13.795 -11.644 106 HB VAL 18 HB VAL 18 0.796 -12.887 -9.469 107 1HG1 VAL 18 1HG1 VAL 18 3.250 -13.344 -9.957 108 2HG1 VAL 18 2HG1 VAL 18 2.946 -12.175 -8.671 109 3HG1 VAL 18 3HG1 VAL 18 3.424 -11.617 -10.274 110 1HG2 VAL 18 1HG2 VAL 18 0.464 -10.566 -11.030 111 2HG2 VAL 18 2HG2 VAL 18 1.771 -10.188 -9.908 112 3HG2 VAL 18 3HG2 VAL 18 0.205 -10.715 -9.291 113 H SER 19 H SER 19 -0.551 -14.513 -10.916 114 HA SER 19 HA SER 19 -2.621 -13.351 -12.729 115 1HB SER 19 2HB SER 19 -2.596 -15.967 -11.203 116 2HB SER 19 1HB SER 19 -3.633 -15.543 -12.562 117 HG SER 19 HG SER 19 -2.046 -15.969 -13.890 118 H VAL 20 H VAL 20 -3.519 -11.666 -11.479 119 HA VAL 20 HA VAL 20 -4.158 -12.099 -8.642 120 HB VAL 20 HB VAL 20 -4.502 -9.858 -10.644 121 1HG1 VAL 20 1HG1 VAL 20 -5.405 -10.051 -7.761 122 2HG1 VAL 20 2HG1 VAL 20 -6.374 -9.622 -9.171 123 3HG1 VAL 20 3HG1 VAL 20 -5.145 -8.506 -8.574 124 1HG2 VAL 20 1HG2 VAL 20 -2.880 -8.759 -9.053 125 2HG2 VAL 20 2HG2 VAL 20 -2.227 -10.178 -9.871 126 3HG2 VAL 20 3HG2 VAL 20 -2.764 -10.295 -8.195 127 H SER 21 H SER 21 -6.376 -11.795 -7.851 128 HA SER 21 HA SER 21 -8.607 -12.067 -9.736 129 1HB SER 21 2HB SER 21 -9.026 -14.310 -9.400 130 2HB SER 21 1HB SER 21 -7.281 -14.339 -9.162 131 HG SER 21 HG SER 21 -9.356 -14.602 -7.340 132 H VAL 22 H VAL 22 -10.099 -10.745 -8.796 133 HA VAL 22 HA VAL 22 -10.176 -10.552 -5.825 134 HB VAL 22 HB VAL 22 -11.367 -8.729 -7.923 135 1HG1 VAL 22 1HG1 VAL 22 -10.962 -7.083 -5.963 136 2HG1 VAL 22 2HG1 VAL 22 -10.793 -8.529 -4.968 137 3HG1 VAL 22 3HG1 VAL 22 -12.307 -8.214 -5.816 138 1HG2 VAL 22 1HG2 VAL 22 -9.232 -7.350 -7.249 139 2HG2 VAL 22 2HG2 VAL 22 -9.092 -8.621 -8.463 140 3HG2 VAL 22 3HG2 VAL 22 -8.583 -8.928 -6.803 141 H SER 23 H SER 23 -12.469 -10.143 -4.967 142 HA SER 23 HA SER 23 -14.716 -11.147 -6.548 143 1HB SER 23 2HB SER 23 -14.843 -13.285 -5.665 144 2HB SER 23 1HB SER 23 -13.096 -13.070 -5.642 145 HG SER 23 HG SER 23 -14.941 -13.106 -3.562 146 H GLY 24 H GLY 24 -16.677 -10.565 -5.555 147 1HA GLY 24 2HA GLY 24 -17.903 -10.201 -3.389 148 2HA GLY 24 1HA GLY 24 -16.456 -9.369 -2.820 149 H ALA 25 H ALA 25 -16.073 -8.094 -5.507 150 HA ALA 25 HA ALA 25 -17.485 -5.644 -5.010 151 1HB ALA 25 1HB ALA 25 -15.795 -5.066 -6.388 152 2HB ALA 25 2HB ALA 25 -16.673 -5.812 -7.722 153 3HB ALA 25 3HB ALA 25 -15.514 -6.760 -6.792 154 H ALA 26 H ALA 26 -18.364 -5.044 -7.733 155 HA ALA 26 HA ALA 26 -20.593 -6.957 -8.224 156 1HB ALA 26 1HB ALA 26 -21.673 -5.534 -6.713 157 2HB ALA 26 2HB ALA 26 -22.053 -4.763 -8.254 158 3HB ALA 26 3HB ALA 26 -20.757 -4.123 -7.243 159 H ALA 27 H ALA 27 -21.178 -7.024 -10.387 160 HA ALA 27 HA ALA 27 -19.515 -6.074 -12.435 161 1HB ALA 27 1HB ALA 27 -21.979 -7.456 -12.108 162 2HB ALA 27 2HB ALA 27 -20.967 -7.392 -13.550 163 3HB ALA 27 3HB ALA 27 -22.249 -6.202 -13.319 164 H GLY 28 H GLY 28 -19.253 -4.083 -13.364 165 1HA GLY 28 2HA GLY 28 -20.283 -2.056 -14.324 166 2HA GLY 28 1HA GLY 28 -21.389 -2.054 -12.954 167 H GLU 29 H GLU 29 -18.536 -2.948 -11.631 168 HA GLU 29 HA GLU 29 -17.873 -0.113 -10.930 169 1HB GLU 29 2HB GLU 29 -17.384 -2.732 -9.479 170 2HB GLU 29 1HB GLU 29 -17.005 -1.128 -8.849 171 1HG GLU 29 2HG GLU 29 -19.789 -1.982 -9.686 172 2HG GLU 29 1HG GLU 29 -19.199 -2.064 -8.026 173 H THR 30 H THR 30 -15.776 0.604 -11.189 174 HA THR 30 HA THR 30 -13.769 -1.339 -12.284 175 HB THR 30 HB THR 30 -14.037 1.595 -12.989 176 HG1 THR 30 HG1 THR 30 -15.886 0.819 -13.758 177 1HG2 THR 30 1HG2 THR 30 -12.188 -0.505 -13.623 178 2HG2 THR 30 2HG2 THR 30 -12.160 1.178 -14.147 179 3HG2 THR 30 3HG2 THR 30 -13.036 -0.024 -15.094 180 H TYR 31 H TYR 31 -12.401 -1.596 -10.526 181 HA TYR 31 HA TYR 31 -11.691 0.782 -8.881 182 1HB TYR 31 2HB TYR 31 -10.893 -2.113 -8.510 183 2HB TYR 31 1HB TYR 31 -10.974 -0.848 -7.283 184 HD1 TYR 31 HD1 TYR 31 -12.871 -3.299 -9.224 185 HD2 TYR 31 HD2 TYR 31 -13.180 0.029 -6.524 186 HE1 TYR 31 HE1 TYR 31 -15.235 -3.891 -8.761 187 HE2 TYR 31 HE2 TYR 31 -15.543 -0.564 -6.063 188 HH TYR 31 HH TYR 31 -16.875 -3.156 -6.347 189 H TYR 32 H TYR 32 -9.349 1.040 -8.316 190 HA TYR 32 HA TYR 32 -7.639 0.553 -10.717 191 1HB TYR 32 2HB TYR 32 -7.457 2.463 -8.360 192 2HB TYR 32 1HB TYR 32 -6.312 2.419 -9.698 193 HD1 TYR 32 HD1 TYR 32 -10.051 2.555 -9.192 194 HD2 TYR 32 HD2 TYR 32 -6.646 3.940 -11.417 195 HE1 TYR 32 HE1 TYR 32 -11.522 4.044 -10.517 196 HE2 TYR 32 HE2 TYR 32 -8.122 5.430 -12.732 197 HH TYR 32 HH TYR 32 -10.453 5.616 -13.364 198 H ILE 33 H ILE 33 -5.558 -0.430 -10.426 199 HA ILE 33 HA ILE 33 -5.017 -1.537 -7.690 200 HB ILE 33 HB ILE 33 -5.937 -3.342 -8.929 201 1HG1 ILE 33 2HG1 ILE 33 -3.934 -4.786 -9.496 202 2HG1 ILE 33 1HG1 ILE 33 -2.917 -3.378 -9.200 203 1HG2 ILE 33 1HG2 ILE 33 -4.353 -2.176 -11.220 204 2HG2 ILE 33 2HG2 ILE 33 -6.089 -2.469 -11.126 205 3HG2 ILE 33 3HG2 ILE 33 -4.973 -3.825 -11.279 206 1HD1 ILE 33 1HD1 ILE 33 -3.812 -3.217 -6.903 207 2HD1 ILE 33 2HD1 ILE 33 -3.055 -4.784 -7.185 208 3HD1 ILE 33 3HD1 ILE 33 -4.813 -4.639 -7.197 209 H ALA 34 H ALA 34 -2.826 -1.604 -7.109 210 HA ALA 34 HA ALA 34 -0.675 -1.210 -9.030 211 1HB ALA 34 1HB ALA 34 -2.025 1.043 -8.601 212 2HB ALA 34 2HB ALA 34 -0.266 1.065 -8.725 213 3HB ALA 34 3HB ALA 34 -1.038 1.093 -7.140 214 H GLN 35 H GLN 35 1.416 -1.329 -7.975 215 HA GLN 35 HA GLN 35 1.276 -2.520 -5.252 216 1HB GLN 35 2HB GLN 35 3.459 -3.417 -5.835 217 2HB GLN 35 1HB GLN 35 2.384 -3.659 -7.211 218 1HG GLN 35 2HG GLN 35 3.281 -1.404 -8.080 219 2HG GLN 35 1HG GLN 35 4.560 -1.596 -6.880 220 1HE2 GLN 35 1HE2 GLN 35 5.215 -4.251 -6.969 221 2HE2 GLN 35 2HE2 GLN 35 5.695 -4.715 -8.529 222 H CYS 36 H CYS 36 3.045 -1.857 -3.711 223 HA CYS 36 HA CYS 36 4.082 0.895 -4.191 224 1HB CYS 36 2HB CYS 36 2.346 0.008 -1.871 225 2HB CYS 36 1HB CYS 36 3.142 1.577 -1.981 226 H ALA 37 H ALA 37 5.337 1.514 -2.027 227 HA ALA 37 HA ALA 37 6.577 -0.555 -0.475 228 1HB ALA 37 1HB ALA 37 7.438 -0.322 -3.141 229 2HB ALA 37 2HB ALA 37 8.266 -1.190 -1.851 230 3HB ALA 37 3HB ALA 37 8.683 0.489 -2.193 231 HA PRO 38 HA PRO 38 7.315 3.321 1.536 232 1HB PRO 38 2HB PRO 38 8.619 2.326 3.723 233 2HB PRO 38 1HB PRO 38 6.859 2.251 3.522 234 1HG PRO 38 2HG PRO 38 8.904 0.133 3.071 235 2HG PRO 38 1HG PRO 38 7.279 0.004 3.766 236 1HD PRO 38 2HD PRO 38 7.870 -0.713 1.199 237 2HD PRO 38 1HD PRO 38 6.266 -0.141 1.714 238 H VAL 39 H VAL 39 9.198 4.607 2.170 239 HA VAL 39 HA VAL 39 11.788 3.579 1.078 240 HB VAL 39 HB VAL 39 10.508 6.298 0.758 241 1HG1 VAL 39 1HG1 VAL 39 12.421 6.896 -0.585 242 2HG1 VAL 39 2HG1 VAL 39 13.065 5.257 -0.483 243 3HG1 VAL 39 3HG1 VAL 39 13.029 6.280 0.951 244 1HG2 VAL 39 1HG2 VAL 39 10.860 5.410 -1.747 245 2HG2 VAL 39 2HG2 VAL 39 9.401 5.038 -0.829 246 3HG2 VAL 39 3HG2 VAL 39 10.700 3.851 -0.939 247 H GLY 40 H GLY 40 11.757 3.173 3.599 248 1HA GLY 40 2HA GLY 40 12.464 3.810 5.754 249 2HA GLY 40 1HA GLY 40 13.692 4.701 4.859 250 H GLY 41 H GLY 41 10.312 5.510 4.456 251 1HA GLY 41 2HA GLY 41 10.322 7.606 6.484 252 2HA GLY 41 1HA GLY 41 10.534 8.237 4.851 253 H GLN 42 H GLN 42 8.824 7.703 3.261 254 HA GLN 42 HA GLN 42 6.167 7.381 4.606 255 1HB GLN 42 2HB GLN 42 7.187 9.470 3.158 256 2HB GLN 42 1HB GLN 42 6.345 8.561 1.901 257 1HG GLN 42 2HG GLN 42 4.473 9.612 2.618 258 2HG GLN 42 1HG GLN 42 4.541 8.516 3.998 259 1HE2 GLN 42 1HE2 GLN 42 5.519 11.791 2.919 260 2HE2 GLN 42 2HE2 GLN 42 5.671 12.433 4.484 261 H ASP 43 H ASP 43 4.606 6.908 2.383 262 HA ASP 43 HA ASP 43 5.654 4.282 1.384 263 1HB ASP 43 2HB ASP 43 3.322 3.580 1.403 264 2HB ASP 43 1HB ASP 43 3.703 4.297 2.969 265 H ALA 44 H ALA 44 6.279 4.520 -0.714 266 HA ALA 44 HA ALA 44 4.844 6.460 -2.468 267 1HB ALA 44 1HB ALA 44 7.515 5.086 -2.381 268 2HB ALA 44 2HB ALA 44 7.159 6.809 -2.529 269 3HB ALA 44 3HB ALA 44 6.927 5.738 -3.905 270 H CYS 45 H CYS 45 4.069 5.731 -4.573 271 HA CYS 45 HA CYS 45 3.792 2.752 -4.815 272 1HB CYS 45 2HB CYS 45 1.792 4.992 -5.185 273 2HB CYS 45 1HB CYS 45 1.507 3.365 -5.806 274 H ASN 46 H ASN 46 3.615 1.993 -7.049 275 HA ASN 46 HA ASN 46 5.367 3.358 -8.902 276 1HB ASN 46 2HB ASN 46 4.850 0.852 -8.544 277 2HB ASN 46 1HB ASN 46 3.420 1.147 -9.532 278 1HD2 ASN 46 1HD2 ASN 46 5.981 -0.427 -10.136 279 2HD2 ASN 46 2HD2 ASN 46 6.540 0.228 -11.598 280 HA PRO 47 HA PRO 47 2.078 5.803 -10.661 281 1HB PRO 47 2HB PRO 47 3.667 7.354 -12.244 282 2HB PRO 47 1HB PRO 47 3.507 7.613 -10.495 283 1HG PRO 47 2HG PRO 47 5.729 6.399 -12.023 284 2HG PRO 47 1HG PRO 47 5.759 7.291 -10.497 285 1HD PRO 47 2HD PRO 47 5.912 4.503 -10.785 286 2HD PRO 47 1HD PRO 47 5.594 5.386 -9.278 287 H ALA 48 H ALA 48 4.485 3.935 -12.391 288 HA ALA 48 HA ALA 48 3.141 4.188 -14.991 289 1HB ALA 48 1HB ALA 48 5.227 2.143 -14.349 290 2HB ALA 48 2HB ALA 48 5.681 3.847 -14.304 291 3HB ALA 48 3HB ALA 48 5.053 3.140 -15.793 292 H THR 49 H THR 49 3.598 1.633 -12.539 293 HA THR 49 HA THR 49 1.836 -0.209 -14.031 294 HB THR 49 HB THR 49 2.438 -1.739 -12.182 295 HG1 THR 49 HG1 THR 49 3.571 -1.002 -10.468 296 1HG2 THR 49 1HG2 THR 49 4.021 -1.600 -13.992 297 2HG2 THR 49 2HG2 THR 49 4.937 -1.630 -12.485 298 3HG2 THR 49 3HG2 THR 49 4.705 -0.109 -13.346 299 H ALA 50 H ALA 50 -0.165 1.018 -13.907 300 HA ALA 50 HA ALA 50 -1.714 0.459 -11.484 301 1HB ALA 50 1HB ALA 50 -2.103 2.776 -10.903 302 2HB ALA 50 2HB ALA 50 -1.245 3.329 -12.340 303 3HB ALA 50 3HB ALA 50 -0.358 2.553 -11.027 304 H THR 51 H THR 51 -3.245 -0.571 -12.833 305 HA THR 51 HA THR 51 -4.584 1.187 -14.866 306 HB THR 51 HB THR 51 -3.251 -0.701 -15.788 307 HG1 THR 51 HG1 THR 51 -5.447 0.004 -16.571 308 1HG2 THR 51 1HG2 THR 51 -3.480 -2.188 -13.816 309 2HG2 THR 51 2HG2 THR 51 -3.929 -3.005 -15.312 310 3HG2 THR 51 3HG2 THR 51 -5.181 -2.426 -14.214 311 H SER 52 H SER 52 -6.909 0.887 -15.050 312 HA SER 52 HA SER 52 -8.153 -0.073 -12.512 313 1HB SER 52 2HB SER 52 -10.105 1.269 -13.689 314 2HB SER 52 1HB SER 52 -8.786 2.136 -12.907 315 HG SER 52 HG SER 52 -9.428 1.874 -15.582 316 H PHE 53 H PHE 53 -9.502 -1.845 -12.550 317 HA PHE 53 HA PHE 53 -10.287 -2.941 -15.233 318 1HB PHE 53 2HB PHE 53 -9.994 -5.169 -14.153 319 2HB PHE 53 1HB PHE 53 -8.501 -4.229 -14.140 320 HD1 PHE 53 HD1 PHE 53 -11.157 -5.703 -12.113 321 HD2 PHE 53 HD2 PHE 53 -7.753 -3.084 -12.060 322 HE1 PHE 53 HE1 PHE 53 -11.080 -5.853 -9.638 323 HE2 PHE 53 HE2 PHE 53 -7.678 -3.233 -9.587 324 HZ PHE 53 HZ PHE 53 -9.339 -4.617 -8.375 325 H THR 54 H THR 54 -12.345 -4.125 -15.221 326 HA THR 54 HA THR 54 -14.190 -3.158 -13.068 327 HB THR 54 HB THR 54 -14.774 -4.125 -15.884 328 HG1 THR 54 HG1 THR 54 -14.777 -1.992 -16.445 329 1HG2 THR 54 1HG2 THR 54 -16.406 -3.367 -13.603 330 2HG2 THR 54 2HG2 THR 54 -16.897 -4.088 -15.137 331 3HG2 THR 54 3HG2 THR 54 -16.731 -2.337 -14.997 332 H THR 55 H THR 55 -15.823 -4.688 -12.309 333 HA THR 55 HA THR 55 -14.806 -7.466 -12.217 334 HB THR 55 HB THR 55 -16.862 -7.552 -10.589 335 HG1 THR 55 HG1 THR 55 -17.944 -5.737 -10.992 336 1HG2 THR 55 1HG2 THR 55 -14.859 -7.585 -9.461 337 2HG2 THR 55 2HG2 THR 55 -15.372 -5.959 -9.015 338 3HG2 THR 55 3HG2 THR 55 -14.224 -6.188 -10.331 339 H ASP 56 H ASP 56 -16.674 -9.181 -12.252 340 HA ASP 56 HA ASP 56 -18.107 -8.832 -14.834 341 1HB ASP 56 2HB ASP 56 -17.307 -11.142 -13.060 342 2HB ASP 56 1HB ASP 56 -18.434 -11.365 -14.400 343 H ALA 57 H ALA 57 -20.205 -10.607 -14.465 344 HA ALA 57 HA ALA 57 -22.175 -9.016 -13.143 345 1HB ALA 57 1HB ALA 57 -22.750 -11.877 -13.424 346 2HB ALA 57 2HB ALA 57 -22.053 -11.165 -14.879 347 3HB ALA 57 3HB ALA 57 -23.536 -10.500 -14.193 348 H SER 58 H SER 58 -20.135 -11.646 -12.036 349 HA SER 58 HA SER 58 -21.623 -11.864 -9.481 350 1HB SER 58 2HB SER 58 -20.572 -13.741 -10.979 351 2HB SER 58 1HB SER 58 -19.059 -13.268 -10.211 352 HG SER 58 HG SER 58 -20.181 -13.576 -8.181 353 H GLY 59 H GLY 59 -19.873 -9.472 -10.423 354 1HA GLY 59 2HA GLY 59 -18.327 -7.997 -9.445 355 2HA GLY 59 1HA GLY 59 -18.868 -8.671 -7.909 356 H ALA 60 H ALA 60 -17.555 -10.916 -10.168 357 HA ALA 60 HA ALA 60 -15.066 -11.085 -8.504 358 1HB ALA 60 1HB ALA 60 -16.870 -12.953 -8.681 359 2HB ALA 60 2HB ALA 60 -15.179 -13.418 -8.866 360 3HB ALA 60 3HB ALA 60 -16.205 -13.233 -10.289 361 H ALA 61 H ALA 61 -13.140 -10.696 -9.544 362 HA ALA 61 HA ALA 61 -13.131 -10.773 -12.543 363 1HB ALA 61 1HB ALA 61 -13.097 -8.494 -12.093 364 2HB ALA 61 2HB ALA 61 -11.368 -8.844 -12.066 365 3HB ALA 61 3HB ALA 61 -12.264 -8.711 -10.553 366 H SER 62 H SER 62 -10.824 -10.904 -13.382 367 HA SER 62 HA SER 62 -8.736 -11.954 -11.635 368 1HB SER 62 2HB SER 62 -8.815 -14.226 -12.763 369 2HB SER 62 1HB SER 62 -10.178 -13.898 -11.698 370 HG SER 62 HG SER 62 -11.451 -13.958 -13.369 371 H PHE 63 H PHE 63 -6.884 -11.222 -12.640 372 HA PHE 63 HA PHE 63 -6.620 -11.523 -15.569 373 1HB PHE 63 2HB PHE 63 -6.143 -9.065 -15.782 374 2HB PHE 63 1HB PHE 63 -7.806 -9.413 -15.312 375 HD1 PHE 63 HD1 PHE 63 -4.447 -8.581 -13.896 376 HD2 PHE 63 HD2 PHE 63 -8.706 -8.515 -13.319 377 HE1 PHE 63 HE1 PHE 63 -4.148 -7.229 -11.837 378 HE2 PHE 63 HE2 PHE 63 -8.402 -7.162 -11.261 379 HZ PHE 63 HZ PHE 63 -6.126 -6.520 -10.521 380 H SER 64 H SER 64 -4.380 -10.949 -16.276 381 HA SER 64 HA SER 64 -2.421 -11.666 -14.172 382 1HB SER 64 2HB SER 64 -0.978 -12.067 -16.096 383 2HB SER 64 1HB SER 64 -2.553 -12.788 -16.409 384 HG SER 64 HG SER 64 -3.070 -10.999 -17.667 385 H PHE 65 H PHE 65 -1.338 -10.054 -13.136 386 HA PHE 65 HA PHE 65 -1.059 -7.406 -14.491 387 1HB PHE 65 2HB PHE 65 -2.422 -7.309 -12.514 388 2HB PHE 65 1HB PHE 65 -1.267 -8.279 -11.604 389 HD1 PHE 65 HD1 PHE 65 -1.289 -5.147 -13.671 390 HD2 PHE 65 HD2 PHE 65 0.136 -7.147 -10.150 391 HE1 PHE 65 HE1 PHE 65 -0.101 -3.085 -12.983 392 HE2 PHE 65 HE2 PHE 65 1.323 -5.087 -9.462 393 HZ PHE 65 HZ PHE 65 1.211 -3.056 -10.876 394 H VAL 66 H VAL 66 1.015 -6.601 -14.770 395 HA VAL 66 HA VAL 66 3.278 -8.376 -14.136 396 HB VAL 66 HB VAL 66 3.174 -5.633 -15.410 397 1HG1 VAL 66 1HG1 VAL 66 5.429 -6.013 -15.003 398 2HG1 VAL 66 2HG1 VAL 66 5.250 -6.782 -16.580 399 3HG1 VAL 66 3HG1 VAL 66 5.258 -7.765 -15.115 400 1HG2 VAL 66 1HG2 VAL 66 2.042 -8.055 -16.315 401 2HG2 VAL 66 2HG2 VAL 66 3.530 -7.842 -17.237 402 3HG2 VAL 66 3HG2 VAL 66 2.294 -6.584 -17.254 403 H VAL 67 H VAL 67 5.230 -7.434 -13.069 404 HA VAL 67 HA VAL 67 4.586 -5.260 -11.113 405 HB VAL 67 HB VAL 67 5.830 -6.772 -9.440 406 1HG1 VAL 67 1HG1 VAL 67 3.416 -6.444 -9.332 407 2HG1 VAL 67 2HG1 VAL 67 3.780 -8.144 -9.045 408 3HG1 VAL 67 3HG1 VAL 67 3.168 -7.627 -10.615 409 1HG2 VAL 67 1HG2 VAL 67 4.989 -9.145 -10.973 410 2HG2 VAL 67 2HG2 VAL 67 6.471 -8.869 -10.055 411 3HG2 VAL 67 3HG2 VAL 67 6.333 -8.271 -11.709 412 H ARG 68 H ARG 68 6.651 -4.397 -10.094 413 HA ARG 68 HA ARG 68 9.053 -4.831 -11.831 414 1HB ARG 68 2HB ARG 68 7.406 -2.425 -11.360 415 2HB ARG 68 1HB ARG 68 9.146 -2.162 -11.230 416 1HG ARG 68 2HG ARG 68 9.541 -2.927 -13.444 417 2HG ARG 68 1HG ARG 68 7.939 -3.658 -13.562 418 1HD ARG 68 2HD ARG 68 7.616 -1.676 -14.770 419 2HD ARG 68 1HD ARG 68 7.133 -1.154 -13.142 420 HE ARG 68 HE ARG 68 9.281 -0.068 -12.885 421 1HH1 ARG 68 1HH2 ARG 68 8.324 0.318 -15.888 422 2HH1 ARG 68 2HH2 ARG 68 9.864 0.227 -16.675 423 1HH2 ARG 68 1HH1 ARG 68 11.507 -1.039 -13.896 424 2HH2 ARG 68 2HH1 ARG 68 11.666 -0.541 -15.547 425 H LYS 69 H LYS 69 10.347 -5.823 -10.311 426 HA LYS 69 HA LYS 69 10.447 -5.635 -7.568 427 1HB LYS 69 2HB LYS 69 11.839 -7.080 -9.014 428 2HB LYS 69 1HB LYS 69 12.791 -5.674 -9.487 429 1HG LYS 69 2HG LYS 69 13.713 -5.412 -7.344 430 2HG LYS 69 1HG LYS 69 12.444 -6.370 -6.581 431 1HD LYS 69 2HD LYS 69 14.271 -7.844 -6.603 432 2HD LYS 69 1HD LYS 69 13.359 -8.321 -8.034 433 1HE LYS 69 2HE LYS 69 15.359 -8.062 -9.117 434 2HE LYS 69 1HE LYS 69 14.981 -6.329 -9.036 435 1HZ LYS 69 1HZ LYS 69 16.389 -7.864 -6.918 436 2HZ LYS 69 2HZ LYS 69 16.065 -6.197 -6.903 437 3HZ LYS 69 3HZ LYS 69 17.150 -6.845 -8.038 438 H SER 70 H SER 70 12.397 -3.498 -9.725 439 HA SER 70 HA SER 70 12.634 -1.586 -7.417 440 1HB SER 70 2HB SER 70 14.760 -2.397 -8.114 441 2HB SER 70 1HB SER 70 14.353 -2.230 -9.818 442 HG SER 70 HG SER 70 15.603 -0.497 -8.370 443 H TYR 71 H TYR 71 12.169 0.597 -7.757 444 HA TYR 71 HA TYR 71 11.682 1.834 -10.305 445 1HB TYR 71 2HB TYR 71 9.268 1.768 -10.350 446 2HB TYR 71 1HB TYR 71 9.823 0.110 -10.120 447 HD1 TYR 71 HD1 TYR 71 8.434 3.085 -8.406 448 HD2 TYR 71 HD2 TYR 71 9.386 -1.089 -8.094 449 HE1 TYR 71 HE1 TYR 71 7.158 2.953 -6.286 450 HE2 TYR 71 HE2 TYR 71 8.109 -1.223 -5.973 451 HH TYR 71 HH TYR 71 5.986 1.190 -4.957 452 H THR 72 H THR 72 11.583 4.077 -9.951 453 HA THR 72 HA THR 72 12.103 5.174 -7.380 454 HB THR 72 HB THR 72 10.682 6.751 -9.478 455 HG1 THR 72 HG1 THR 72 13.087 6.682 -10.307 456 1HG2 THR 72 1HG2 THR 72 12.695 8.248 -8.976 457 2HG2 THR 72 2HG2 THR 72 13.072 7.122 -7.672 458 3HG2 THR 72 3HG2 THR 72 11.550 8.014 -7.656 459 H GLY 73 H GLY 73 10.758 5.537 -5.672 460 1HA GLY 73 2HA GLY 73 7.878 5.056 -5.991 461 2HA GLY 73 1HA GLY 73 8.718 5.323 -4.467 462 H SER 74 H SER 74 6.252 6.576 -5.379 463 HA SER 74 HA SER 74 6.942 9.377 -4.817 464 1HB SER 74 2HB SER 74 7.029 8.543 -7.427 465 2HB SER 74 1HB SER 74 5.356 9.082 -7.296 466 HG SER 74 HG SER 74 7.690 10.517 -7.293 467 H THR 75 H THR 75 4.405 10.388 -5.827 468 HA THR 75 HA THR 75 2.473 8.817 -4.145 469 HB THR 75 HB THR 75 1.531 11.145 -3.636 470 HG1 THR 75 HG1 THR 75 2.422 12.697 -4.693 471 1HG2 THR 75 1HG2 THR 75 3.630 9.686 -2.486 472 2HG2 THR 75 2HG2 THR 75 2.694 10.967 -1.717 473 3HG2 THR 75 3HG2 THR 75 4.206 11.353 -2.536 474 HA PRO 76 HA PRO 76 -0.074 8.729 -7.740 475 1HB PRO 76 2HB PRO 76 -2.503 8.420 -6.528 476 2HB PRO 76 1HB PRO 76 -1.311 7.109 -6.681 477 1HG PRO 76 2HG PRO 76 -1.867 8.890 -4.348 478 2HG PRO 76 1HG PRO 76 -1.574 7.143 -4.385 479 1HD PRO 76 2HD PRO 76 0.348 8.886 -3.676 480 2HD PRO 76 1HD PRO 76 0.717 7.391 -4.566 481 H GLU 77 H GLU 77 -0.179 11.184 -5.391 482 HA GLU 77 HA GLU 77 -2.366 12.710 -6.644 483 1HB GLU 77 2HB GLU 77 -0.702 12.744 -4.225 484 2HB GLU 77 1HB GLU 77 -1.022 14.354 -4.872 485 1HG GLU 77 2HG GLU 77 -3.336 12.489 -4.766 486 2HG GLU 77 1HG GLU 77 -2.738 13.090 -3.219 487 H GLY 78 H GLY 78 1.154 13.098 -6.213 488 1HA GLY 78 2HA GLY 78 2.116 13.810 -8.595 489 2HA GLY 78 1HA GLY 78 1.166 15.257 -8.247 490 H THR 79 H THR 79 3.308 13.162 -6.303 491 HA THR 79 HA THR 79 5.101 15.463 -5.783 492 HB THR 79 HB THR 79 4.114 14.013 -3.382 493 HG1 THR 79 HG1 THR 79 2.367 15.811 -3.572 494 1HG2 THR 79 1HG2 THR 79 5.075 16.724 -4.162 495 2HG2 THR 79 2HG2 THR 79 5.510 15.736 -2.768 496 3HG2 THR 79 3HG2 THR 79 3.981 16.614 -2.783 497 HA PRO 80 HA PRO 80 7.863 12.008 -5.822 498 1HB PRO 80 2HB PRO 80 10.139 13.368 -5.161 499 2HB PRO 80 1HB PRO 80 9.400 13.449 -6.772 500 1HG PRO 80 2HG PRO 80 9.299 15.414 -4.546 501 2HG PRO 80 1HG PRO 80 9.352 15.688 -6.295 502 1HD PRO 80 2HD PRO 80 7.072 15.867 -4.749 503 2HD PRO 80 1HD PRO 80 7.085 15.573 -6.501 504 H VAL 81 H VAL 81 8.924 10.674 -4.263 505 HA VAL 81 HA VAL 81 8.828 11.622 -1.427 506 HB VAL 81 HB VAL 81 7.891 9.031 -2.653 507 1HG1 VAL 81 1HG1 VAL 81 7.287 8.434 -0.277 508 2HG1 VAL 81 2HG1 VAL 81 8.250 9.815 0.251 509 3HG1 VAL 81 3HG1 VAL 81 9.021 8.471 -0.593 510 1HG2 VAL 81 1HG2 VAL 81 5.741 9.711 -1.566 511 2HG2 VAL 81 2HG2 VAL 81 6.272 10.849 -2.804 512 3HG2 VAL 81 3HG2 VAL 81 6.501 11.232 -1.098 513 H GLY 82 H GLY 82 10.066 9.099 -3.609 514 1HA GLY 82 2HA GLY 82 12.783 9.397 -3.126 515 2HA GLY 82 1HA GLY 82 12.226 8.340 -1.829 516 H SER 83 H SER 83 13.931 7.072 -3.318 517 HA SER 83 HA SER 83 12.626 5.770 -5.633 518 1HB SER 83 2HB SER 83 15.224 4.792 -4.655 519 2HB SER 83 1HB SER 83 14.779 5.370 -6.258 520 HG SER 83 HG SER 83 14.771 7.520 -5.221 521 H VAL 84 H VAL 84 12.280 3.457 -5.708 522 HA VAL 84 HA VAL 84 12.169 2.141 -3.012 523 HB VAL 84 HB VAL 84 10.255 2.292 -5.335 524 1HG1 VAL 84 1HG1 VAL 84 10.414 0.102 -3.243 525 2HG1 VAL 84 2HG1 VAL 84 10.453 -0.090 -4.996 526 3HG1 VAL 84 3HG1 VAL 84 8.969 0.429 -4.198 527 1HG2 VAL 84 1HG2 VAL 84 8.708 2.979 -3.680 528 2HG2 VAL 84 2HG2 VAL 84 10.215 3.759 -3.202 529 3HG2 VAL 84 3HG2 VAL 84 9.675 2.300 -2.373 530 H ASP 85 H ASP 85 12.636 -0.139 -3.007 531 HA ASP 85 HA ASP 85 13.449 -1.469 -5.506 532 1HB ASP 85 2HB ASP 85 15.309 0.101 -4.585 533 2HB ASP 85 1HB ASP 85 15.506 -1.126 -3.332 534 H CYS 86 H CYS 86 12.587 -3.470 -5.203 535 HA CYS 86 HA CYS 86 12.081 -4.567 -2.552 536 1HB CYS 86 2HB CYS 86 11.007 -4.753 -5.114 537 2HB CYS 86 1HB CYS 86 11.731 -6.338 -4.842 538 H ALA 87 H ALA 87 14.975 -4.259 -3.645 539 HA ALA 87 HA ALA 87 15.950 -6.989 -4.011 540 1HB ALA 87 1HB ALA 87 18.164 -5.765 -3.734 541 2HB ALA 87 2HB ALA 87 17.229 -4.298 -3.441 542 3HB ALA 87 3HB ALA 87 17.119 -5.120 -4.999 543 H THR 88 H THR 88 14.637 -5.578 -1.402 544 HA THR 88 HA THR 88 15.502 -7.442 0.541 545 HB THR 88 HB THR 88 17.631 -6.232 0.316 546 HG1 THR 88 HG1 THR 88 17.783 -6.366 2.386 547 1HG2 THR 88 1HG2 THR 88 16.023 -3.763 1.018 548 2HG2 THR 88 2HG2 THR 88 16.649 -4.139 -0.588 549 3HG2 THR 88 3HG2 THR 88 17.764 -3.830 0.743 550 H ALA 89 H ALA 89 14.278 -4.255 -0.274 551 HA ALA 89 HA ALA 89 12.922 -3.529 2.100 552 1HB ALA 89 1HB ALA 89 13.390 -2.387 -0.242 553 2HB ALA 89 2HB ALA 89 11.970 -1.914 0.689 554 3HB ALA 89 3HB ALA 89 11.805 -3.048 -0.652 555 H ALA 90 H ALA 90 10.393 -3.449 2.137 556 HA ALA 90 HA ALA 90 9.351 -6.180 1.458 557 1HB ALA 90 1HB ALA 90 8.678 -4.197 3.654 558 2HB ALA 90 2HB ALA 90 9.521 -5.735 3.847 559 3HB ALA 90 3HB ALA 90 7.815 -5.714 3.400 560 H CYS 91 H CYS 91 8.614 -5.496 -0.671 561 HA CYS 91 HA CYS 91 6.823 -3.200 -0.959 562 1HB CYS 91 2HB CYS 91 7.211 -5.486 -2.898 563 2HB CYS 91 1HB CYS 91 6.858 -3.799 -3.261 564 H ASN 92 H ASN 92 4.592 -3.466 -1.804 565 HA ASN 92 HA ASN 92 3.241 -6.028 -1.108 566 1HB ASN 92 2HB ASN 92 3.086 -3.400 0.278 567 2HB ASN 92 1HB ASN 92 1.550 -4.229 0.019 568 1HD2 ASN 92 1HD2 ASN 92 1.576 -4.482 2.471 569 2HD2 ASN 92 2HD2 ASN 92 2.457 -5.771 3.136 570 H LEU 93 H LEU 93 0.703 -5.527 -1.608 571 HA LEU 93 HA LEU 93 0.436 -3.773 -3.997 572 1HB LEU 93 2HB LEU 93 1.155 -5.945 -4.845 573 2HB LEU 93 1HB LEU 93 -0.074 -6.762 -3.878 574 HG LEU 93 HG LEU 93 -1.834 -5.502 -5.136 575 1HD1 LEU 93 1HD1 LEU 93 -1.325 -4.062 -6.886 576 2HD1 LEU 93 2HD1 LEU 93 0.238 -4.819 -7.192 577 3HD1 LEU 93 3HD1 LEU 93 0.033 -3.749 -5.811 578 1HD2 LEU 93 1HD2 LEU 93 -0.035 -7.564 -6.195 579 2HD2 LEU 93 2HD2 LEU 93 -0.876 -6.675 -7.464 580 3HD2 LEU 93 3HD2 LEU 93 -1.798 -7.501 -6.207 581 H GLY 94 H GLY 94 -1.750 -3.077 -4.316 582 1HA GLY 94 2HA GLY 94 -3.908 -4.324 -2.759 583 2HA GLY 94 1HA GLY 94 -3.460 -2.712 -2.203 584 H ALA 95 H ALA 95 -6.019 -3.364 -3.274 585 HA ALA 95 HA ALA 95 -6.020 -1.567 -5.668 586 1HB ALA 95 1HB ALA 95 -6.299 -3.530 -6.821 587 2HB ALA 95 2HB ALA 95 -7.970 -3.358 -6.284 588 3HB ALA 95 3HB ALA 95 -6.860 -4.400 -5.393 589 H GLY 96 H GLY 96 -8.260 -0.683 -6.070 590 1HA GLY 96 2HA GLY 96 -10.585 -0.871 -4.716 591 2HA GLY 96 1HA GLY 96 -9.583 -0.075 -3.501 592 H ASN 97 H ASN 97 -11.784 1.302 -4.451 593 HA ASN 97 HA ASN 97 -10.597 3.298 -6.329 594 1HB ASN 97 2HB ASN 97 -12.675 1.854 -6.922 595 2HB ASN 97 1HB ASN 97 -13.534 2.913 -5.806 596 1HD2 ASN 97 1HD2 ASN 97 -14.200 4.927 -6.613 597 2HD2 ASN 97 2HD2 ASN 97 -13.695 5.573 -8.101 598 H SER 98 H SER 98 -11.884 5.513 -5.982 599 HA SER 98 HA SER 98 -11.064 6.822 -3.707 600 1HB SER 98 2HB SER 98 -13.696 7.191 -5.158 601 2HB SER 98 1HB SER 98 -12.862 8.420 -4.212 602 HG SER 98 HG SER 98 -11.318 8.551 -5.723 603 H GLY 99 H GLY 99 -13.884 4.677 -3.905 604 1HA GLY 99 2HA GLY 99 -14.312 5.193 -0.985 605 2HA GLY 99 1HA GLY 99 -15.649 4.872 -2.087 606 H LEU 100 H LEU 100 -15.838 2.718 -2.989 607 HA LEU 100 HA LEU 100 -15.728 0.546 -1.333 608 1HB LEU 100 2HB LEU 100 -16.476 0.861 -3.810 609 2HB LEU 100 1HB LEU 100 -14.858 0.273 -4.202 610 HG LEU 100 HG LEU 100 -16.368 -1.284 -2.171 611 1HD1 LEU 100 1HD1 LEU 100 -17.351 -2.527 -4.305 612 2HD1 LEU 100 2HD1 LEU 100 -17.247 -0.913 -5.008 613 3HD1 LEU 100 3HD1 LEU 100 -18.218 -1.184 -3.562 614 1HD2 LEU 100 1HD2 LEU 100 -14.090 -1.891 -2.972 615 2HD2 LEU 100 2HD2 LEU 100 -14.725 -2.049 -4.609 616 3HD2 LEU 100 3HD2 LEU 100 -15.271 -3.146 -3.343 617 H ASP 101 H ASP 101 -14.148 -0.579 -0.291 618 HA ASP 101 HA ASP 101 -11.335 -0.342 -1.307 619 1HB ASP 101 2HB ASP 101 -12.061 0.733 0.916 620 2HB ASP 101 1HB ASP 101 -12.230 -0.913 1.526 621 H LEU 102 H LEU 102 -10.047 -2.300 -1.165 622 HA LEU 102 HA LEU 102 -11.669 -4.794 -0.871 623 1HB LEU 102 2HB LEU 102 -9.751 -3.774 -2.898 624 2HB LEU 102 1HB LEU 102 -9.656 -5.496 -2.530 625 HG LEU 102 HG LEU 102 -12.314 -4.196 -3.082 626 1HD1 LEU 102 1HD1 LEU 102 -10.121 -4.856 -4.992 627 2HD1 LEU 102 2HD1 LEU 102 -11.387 -3.634 -5.114 628 3HD1 LEU 102 3HD1 LEU 102 -11.756 -5.323 -5.457 629 1HD2 LEU 102 1HD2 LEU 102 -12.038 -6.541 -2.112 630 2HD2 LEU 102 2HD2 LEU 102 -11.303 -6.995 -3.649 631 3HD2 LEU 102 3HD2 LEU 102 -12.977 -6.443 -3.600 632 H GLY 103 H GLY 103 -8.222 -4.692 -1.447 633 1HA GLY 103 2HA GLY 103 -7.330 -4.845 1.267 634 2HA GLY 103 1HA GLY 103 -7.556 -6.476 0.632 635 H HIS 104 H HIS 104 -5.057 -6.190 1.167 636 HA HIS 104 HA HIS 104 -3.741 -5.650 -1.456 637 1HB HIS 104 2HB HIS 104 -1.883 -4.572 0.058 638 2HB HIS 104 1HB HIS 104 -3.309 -3.619 -0.351 639 HD1 HIS 104 HD1 HIS 104 -4.964 -3.069 1.533 640 HD2 HIS 104 HD2 HIS 104 -1.842 -5.537 2.773 641 HE1 HIS 104 HE1 HIS 104 -5.097 -3.178 4.061 642 H VAL 105 H VAL 105 -2.170 -7.166 -1.925 643 HA VAL 105 HA VAL 105 -1.643 -9.267 0.132 644 HB VAL 105 HB VAL 105 -1.183 -9.174 -2.869 645 1HG1 VAL 105 1HG1 VAL 105 0.058 -11.015 -2.455 646 2HG1 VAL 105 2HG1 VAL 105 -1.448 -11.812 -2.000 647 3HG1 VAL 105 3HG1 VAL 105 -0.445 -11.055 -0.767 648 1HG2 VAL 105 1HG2 VAL 105 -3.363 -10.607 -1.329 649 2HG2 VAL 105 2HG2 VAL 105 -3.223 -10.437 -3.077 650 3HG2 VAL 105 3HG2 VAL 105 -3.593 -9.029 -2.081 651 H ALA 106 H ALA 106 0.454 -9.563 0.906 652 HA ALA 106 HA ALA 106 2.451 -7.516 0.259 653 1HB ALA 106 1HB ALA 106 3.732 -8.786 2.005 654 2HB ALA 106 2HB ALA 106 2.417 -9.960 2.047 655 3HB ALA 106 3HB ALA 106 2.126 -8.292 2.539 656 H LEU 107 H LEU 107 4.067 -7.753 -1.226 657 HA LEU 107 HA LEU 107 4.419 -10.454 -2.482 658 1HB LEU 107 2HB LEU 107 5.373 -7.752 -3.478 659 2HB LEU 107 1HB LEU 107 5.099 -9.217 -4.420 660 HG LEU 107 HG LEU 107 2.884 -7.782 -2.934 661 1HD1 LEU 107 1HD1 LEU 107 2.353 -7.246 -5.515 662 2HD1 LEU 107 2HD1 LEU 107 4.114 -7.272 -5.597 663 3HD1 LEU 107 3HD1 LEU 107 3.300 -6.155 -4.501 664 1HD2 LEU 107 1HD2 LEU 107 1.476 -9.332 -3.874 665 2HD2 LEU 107 2HD2 LEU 107 2.940 -10.316 -3.889 666 3HD2 LEU 107 3HD2 LEU 107 2.436 -9.460 -5.346 667 H THR 108 H THR 108 6.768 -10.866 -3.200 668 HA THR 108 HA THR 108 8.822 -9.548 -1.534 669 HB THR 108 HB THR 108 7.797 -12.351 -1.234 670 HG1 THR 108 HG1 THR 108 7.709 -11.771 0.862 671 1HG2 THR 108 1HG2 THR 108 10.140 -12.718 -1.627 672 2HG2 THR 108 2HG2 THR 108 9.876 -12.826 0.115 673 3HG2 THR 108 3HG2 THR 108 10.576 -11.366 -0.583 674 H PHE 109 H PHE 109 10.326 -9.102 -3.081 675 HA PHE 109 HA PHE 109 10.637 -10.837 -5.432 676 1HB PHE 109 2HB PHE 109 11.769 -8.243 -4.410 677 2HB PHE 109 1HB PHE 109 12.464 -9.030 -5.828 678 HD1 PHE 109 HD1 PHE 109 9.148 -7.964 -4.420 679 HD2 PHE 109 HD2 PHE 109 11.531 -8.654 -7.922 680 HE1 PHE 109 HE1 PHE 109 7.338 -7.031 -5.846 681 HE2 PHE 109 HE2 PHE 109 9.729 -7.725 -9.345 682 HZ PHE 109 HZ PHE 109 7.632 -6.914 -8.311 683 H GLY 110 H GLY 110 12.125 -12.472 -5.548 684 1HA GLY 110 2HA GLY 110 13.825 -13.940 -4.838 685 2HA GLY 110 1HA GLY 110 14.768 -12.458 -4.674 686 2H2' ROM 111 2H2' ROM 111 -10.564 6.245 -7.741 687 2H3' ROM 111 2H3' ROM 111 -7.490 6.672 -10.085 688 H'1 ROM 111 H'1 ROM 111 -4.061 5.425 -8.822 689 3H18 ROM 111 3H18 ROM 111 -4.273 1.181 -0.132 690 2H18 ROM 111 2H18 ROM 111 -4.153 2.456 0.984 691 2H23 ROM 111 2H23 ROM 111 -5.986 7.951 -1.799 692 H1' ROM 111 H1' ROM 111 -7.659 8.024 -7.096 693 H2' ROM 111 H2' ROM 111 -10.446 8.280 -8.174 694 H3' ROM 111 H3' ROM 111 -9.345 7.593 -10.260 695 H4' ROM 111 H4' ROM 111 -9.536 9.969 -9.792 696 1H6B ROM 111 1H6B ROM 111 -7.336 11.958 -9.502 697 3H6B ROM 111 3H6B ROM 111 -8.920 12.029 -8.731 698 2H6B ROM 111 2H6B ROM 111 -7.457 12.165 -7.755 699 1H6A ROM 111 1H6A ROM 111 -5.970 10.162 -7.463 700 3H6A ROM 111 3H6A ROM 111 -6.372 8.655 -8.277 701 2H6A ROM 111 2H6A ROM 111 -5.884 10.060 -9.219 702 1H4B ROM 111 1H4B ROM 111 -9.164 9.023 -12.305 703 3H4B ROM 111 3H4B ROM 111 -9.575 10.650 -11.732 704 2H4B ROM 111 2H4B ROM 111 -8.252 10.427 -12.889 705 1H4A ROM 111 1H4A ROM 111 -6.202 9.238 -12.068 706 3H4A ROM 111 3H4A ROM 111 -6.221 8.662 -10.395 707 2H4A ROM 111 2H4A ROM 111 -7.315 7.945 -11.587 708 H'8 ROM 111 H'8 ROM 111 0.531 5.859 -8.075 709 H'6 ROM 111 H'6 ROM 111 -0.392 8.403 -11.382 710 1H3A ROM 111 1H3A ROM 111 -4.886 8.351 -13.180 711 2H3A ROM 111 2H3A ROM 111 -5.569 6.632 -13.093 712 1H7A ROM 111 1H7A ROM 111 1.615 9.141 -8.509 713 3H7A ROM 111 3H7A ROM 111 1.468 7.545 -7.775 714 2H7A ROM 111 2H7A ROM 111 3.005 8.058 -8.469 715 H3 ROM 111 H3 ROM 111 -4.480 6.766 -6.242 716 H6 ROM 111 H6 ROM 111 -7.780 3.612 -4.369 717 H5 ROM 111 H5 ROM 111 -5.665 2.734 -5.334 718 H12 ROM 111 H12 ROM 111 -5.141 9.093 -5.012 719 H8 ROM 111 H8 ROM 111 -9.403 5.986 -4.621 720 H13 ROM 111 H13 ROM 111 -3.771 3.312 -7.000 721 H10 ROM 111 H10 ROM 111 -8.882 9.205 -3.032 722 H11 ROM 111 H11 ROM 111 -6.556 10.380 -3.293 723 2H14 ROM 111 2H14 ROM 111 -2.174 2.829 -5.455 724 1H14 ROM 111 1H14 ROM 111 -1.915 4.534 -5.065 725 2H17 ROM 111 2H17 ROM 111 -4.624 1.849 -2.721 726 1H17 ROM 111 1H17 ROM 111 -3.261 1.302 -1.743 727 H18 ROM 111 H18 ROM 111 -3.401 3.694 -0.685 728 H20 ROM 111 H20 ROM 111 -6.831 2.430 -1.162 729 H24 ROM 111 H24 ROM 111 -4.157 5.697 -1.764 730 4H18 ROM 111 4H18 ROM 111 -5.630 2.141 0.211 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -18.519 -8.362 4.255 2 2H ALA 1 2H ALA 1 -17.381 -9.594 3.989 3 3H ALA 1 3H ALA 1 -18.701 -9.415 2.935 4 HA ALA 1 HA ALA 1 -17.817 -7.161 2.336 5 1HB ALA 1 1HB ALA 1 -16.472 -7.405 4.609 6 2HB ALA 1 2HB ALA 1 -15.792 -6.483 3.267 7 3HB ALA 1 3HB ALA 1 -15.261 -8.140 3.559 8 HA PRO 2 HA PRO 2 -16.180 -9.357 -1.077 9 1HB PRO 2 2HB PRO 2 -14.567 -7.487 -2.255 10 2HB PRO 2 1HB PRO 2 -16.340 -7.405 -2.303 11 1HG PRO 2 2HG PRO 2 -14.426 -5.916 -0.580 12 2HG PRO 2 1HG PRO 2 -15.941 -5.373 -1.318 13 1HD PRO 2 2HD PRO 2 -15.692 -6.089 1.322 14 2HD PRO 2 1HD PRO 2 -17.214 -6.172 0.408 15 H ALA 3 H ALA 3 -13.879 -9.753 -2.218 16 HA ALA 3 HA ALA 3 -11.740 -9.841 -0.130 17 1HB ALA 3 1HB ALA 3 -12.445 -12.172 -1.920 18 2HB ALA 3 2HB ALA 3 -13.203 -11.948 -0.342 19 3HB ALA 3 3HB ALA 3 -11.458 -12.184 -0.459 20 H PHE 4 H PHE 4 -9.648 -10.736 -1.266 21 HA PHE 4 HA PHE 4 -9.354 -10.218 -4.129 22 1HB PHE 4 2HB PHE 4 -9.503 -7.933 -3.384 23 2HB PHE 4 1HB PHE 4 -8.437 -8.248 -2.014 24 HD1 PHE 4 HD1 PHE 4 -8.233 -9.081 -5.665 25 HD2 PHE 4 HD2 PHE 4 -6.401 -7.133 -2.305 26 HE1 PHE 4 HE1 PHE 4 -6.274 -8.502 -7.069 27 HE2 PHE 4 HE2 PHE 4 -4.441 -6.554 -3.709 28 HZ PHE 4 HZ PHE 4 -4.379 -7.237 -6.092 29 H SER 5 H SER 5 -7.681 -11.602 -4.737 30 HA SER 5 HA SER 5 -5.349 -11.875 -2.921 31 1HB SER 5 2HB SER 5 -7.407 -13.514 -2.510 32 2HB SER 5 1HB SER 5 -6.659 -14.397 -3.837 33 HG SER 5 HG SER 5 -5.775 -15.083 -1.885 34 H VAL 6 H VAL 6 -3.605 -13.149 -3.908 35 HA VAL 6 HA VAL 6 -3.688 -13.194 -6.906 36 HB VAL 6 HB VAL 6 -2.392 -11.324 -5.897 37 1HG1 VAL 6 1HG1 VAL 6 -1.010 -13.610 -4.485 38 2HG1 VAL 6 2HG1 VAL 6 -1.817 -12.219 -3.763 39 3HG1 VAL 6 3HG1 VAL 6 -0.294 -12.004 -4.625 40 1HG2 VAL 6 1HG2 VAL 6 -0.471 -13.412 -6.954 41 2HG2 VAL 6 2HG2 VAL 6 -0.371 -11.660 -7.136 42 3HG2 VAL 6 3HG2 VAL 6 -1.616 -12.566 -7.995 43 H SER 7 H SER 7 -2.347 -14.952 -7.850 44 HA SER 7 HA SER 7 -2.422 -17.406 -6.346 45 1HB SER 7 2HB SER 7 -1.458 -16.444 -8.990 46 2HB SER 7 1HB SER 7 -0.782 -17.964 -8.415 47 HG SER 7 HG SER 7 -3.558 -17.450 -8.317 48 HA PRO 8 HA PRO 8 2.246 -17.189 -5.757 49 1HB PRO 8 2HB PRO 8 3.770 -15.356 -7.079 50 2HB PRO 8 1HB PRO 8 3.318 -16.913 -7.801 51 1HG PRO 8 2HG PRO 8 2.153 -14.218 -8.241 52 2HG PRO 8 1HG PRO 8 2.455 -15.514 -9.407 53 1HD PRO 8 2HD PRO 8 -0.013 -14.962 -8.355 54 2HD PRO 8 1HD PRO 8 0.485 -16.568 -8.933 55 H ALA 9 H ALA 9 3.890 -15.584 -4.634 56 HA ALA 9 HA ALA 9 3.118 -12.885 -4.025 57 1HB ALA 9 1HB ALA 9 1.248 -14.388 -3.043 58 2HB ALA 9 2HB ALA 9 1.942 -13.159 -1.988 59 3HB ALA 9 3HB ALA 9 2.442 -14.841 -1.831 60 H SER 10 H SER 10 5.488 -14.635 -4.456 61 HA SER 10 HA SER 10 7.267 -13.464 -2.521 62 1HB SER 10 2HB SER 10 7.826 -15.678 -1.441 63 2HB SER 10 1HB SER 10 6.223 -15.068 -1.052 64 HG SER 10 HG SER 10 6.991 -17.147 -2.799 65 H GLY 11 H GLY 11 9.530 -14.079 -3.008 66 1HA GLY 11 2HA GLY 11 11.222 -14.522 -4.585 67 2HA GLY 11 1HA GLY 11 10.376 -16.055 -4.806 68 H LEU 12 H LEU 12 9.524 -12.671 -5.579 69 HA LEU 12 HA LEU 12 8.464 -13.531 -8.201 70 1HB LEU 12 2HB LEU 12 8.625 -10.830 -6.837 71 2HB LEU 12 1HB LEU 12 7.639 -11.220 -8.247 72 HG LEU 12 HG LEU 12 7.377 -12.440 -5.486 73 1HD1 LEU 12 1HD1 LEU 12 5.187 -11.322 -5.499 74 2HD1 LEU 12 2HD1 LEU 12 5.524 -10.661 -7.100 75 3HD1 LEU 12 3HD1 LEU 12 6.481 -10.143 -5.712 76 1HD2 LEU 12 1HD2 LEU 12 6.205 -13.109 -8.167 77 2HD2 LEU 12 2HD2 LEU 12 5.221 -13.336 -6.721 78 3HD2 LEU 12 3HD2 LEU 12 6.752 -14.193 -6.888 79 H SER 13 H SER 13 8.979 -11.362 -9.802 80 HA SER 13 HA SER 13 11.874 -10.770 -9.840 81 1HB SER 13 2HB SER 13 10.467 -12.702 -11.662 82 2HB SER 13 1HB SER 13 11.860 -11.803 -12.256 83 HG SER 13 HG SER 13 13.100 -12.708 -10.655 84 H ASP 14 H ASP 14 12.338 -8.986 -11.241 85 HA ASP 14 HA ASP 14 10.293 -7.108 -11.774 86 1HB ASP 14 2HB ASP 14 12.697 -6.604 -11.623 87 2HB ASP 14 1HB ASP 14 12.987 -7.520 -13.103 88 H GLY 15 H GLY 15 8.794 -6.979 -13.388 89 1HA GLY 15 2HA GLY 15 7.926 -7.180 -15.599 90 2HA GLY 15 1HA GLY 15 9.308 -8.196 -16.011 91 H GLN 16 H GLN 16 8.919 -9.890 -13.619 92 HA GLN 16 HA GLN 16 7.548 -12.072 -14.606 93 1HB GLN 16 2HB GLN 16 8.902 -11.911 -12.511 94 2HB GLN 16 1HB GLN 16 7.555 -11.072 -11.740 95 1HG GLN 16 2HG GLN 16 6.502 -13.428 -12.934 96 2HG GLN 16 1HG GLN 16 7.946 -13.896 -12.042 97 1HE2 GLN 16 1HE2 GLN 16 5.594 -14.820 -10.972 98 2HE2 GLN 16 2HE2 GLN 16 5.169 -13.930 -9.593 99 H SER 17 H SER 17 5.357 -12.881 -14.269 100 HA SER 17 HA SER 17 3.345 -10.743 -13.668 101 1HB SER 17 2HB SER 17 3.448 -12.801 -15.885 102 2HB SER 17 1HB SER 17 2.014 -11.847 -15.524 103 HG SER 17 HG SER 17 4.548 -11.014 -16.453 104 H VAL 18 H VAL 18 1.635 -11.426 -12.400 105 HA VAL 18 HA VAL 18 1.580 -14.317 -11.624 106 HB VAL 18 HB VAL 18 0.943 -13.471 -9.398 107 1HG1 VAL 18 1HG1 VAL 18 3.344 -13.718 -9.975 108 2HG1 VAL 18 2HG1 VAL 18 3.088 -12.390 -8.843 109 3HG1 VAL 18 3HG1 VAL 18 3.365 -12.051 -10.550 110 1HG2 VAL 18 1HG2 VAL 18 -0.210 -11.406 -10.343 111 2HG2 VAL 18 2HG2 VAL 18 1.393 -10.699 -10.539 112 3HG2 VAL 18 3HG2 VAL 18 0.803 -11.114 -8.928 113 H SER 19 H SER 19 -0.634 -15.029 -10.866 114 HA SER 19 HA SER 19 -2.729 -13.849 -12.619 115 1HB SER 19 2HB SER 19 -2.461 -16.203 -12.830 116 2HB SER 19 1HB SER 19 -2.358 -16.428 -11.086 117 HG SER 19 HG SER 19 -4.416 -16.984 -11.721 118 H VAL 20 H VAL 20 -3.704 -12.128 -11.551 119 HA VAL 20 HA VAL 20 -4.337 -12.364 -8.659 120 HB VAL 20 HB VAL 20 -4.459 -10.157 -10.730 121 1HG1 VAL 20 1HG1 VAL 20 -5.258 -10.135 -7.805 122 2HG1 VAL 20 2HG1 VAL 20 -6.306 -9.823 -9.189 123 3HG1 VAL 20 3HG1 VAL 20 -5.024 -8.683 -8.778 124 1HG2 VAL 20 1HG2 VAL 20 -2.592 -9.241 -9.587 125 2HG2 VAL 20 2HG2 VAL 20 -2.243 -10.967 -9.676 126 3HG2 VAL 20 3HG2 VAL 20 -2.849 -10.267 -8.175 127 H SER 21 H SER 21 -6.588 -11.574 -8.036 128 HA SER 21 HA SER 21 -8.729 -11.756 -10.008 129 1HB SER 21 2HB SER 21 -8.558 -14.051 -9.994 130 2HB SER 21 1HB SER 21 -7.811 -14.092 -8.399 131 HG SER 21 HG SER 21 -9.860 -13.642 -7.513 132 H VAL 22 H VAL 22 -10.288 -10.419 -9.196 133 HA VAL 22 HA VAL 22 -10.407 -10.008 -6.249 134 HB VAL 22 HB VAL 22 -11.498 -8.265 -8.462 135 1HG1 VAL 22 1HG1 VAL 22 -12.143 -7.953 -5.993 136 2HG1 VAL 22 2HG1 VAL 22 -11.493 -6.540 -6.823 137 3HG1 VAL 22 3HG1 VAL 22 -10.467 -7.473 -5.734 138 1HG2 VAL 22 1HG2 VAL 22 -9.163 -7.057 -7.659 139 2HG2 VAL 22 2HG2 VAL 22 -9.327 -8.036 -9.117 140 3HG2 VAL 22 3HG2 VAL 22 -8.708 -8.762 -7.634 141 H SER 23 H SER 23 -12.553 -9.860 -5.285 142 HA SER 23 HA SER 23 -14.885 -10.649 -6.924 143 1HB SER 23 2HB SER 23 -15.257 -12.675 -5.576 144 2HB SER 23 1HB SER 23 -13.683 -12.748 -6.361 145 HG SER 23 HG SER 23 -12.774 -12.000 -4.396 146 H GLY 24 H GLY 24 -16.878 -10.795 -5.415 147 1HA GLY 24 2HA GLY 24 -18.087 -10.060 -3.489 148 2HA GLY 24 1HA GLY 24 -16.609 -9.324 -2.877 149 H ALA 25 H ALA 25 -16.109 -7.968 -5.493 150 HA ALA 25 HA ALA 25 -17.328 -5.461 -4.947 151 1HB ALA 25 1HB ALA 25 -16.568 -6.139 -7.730 152 2HB ALA 25 2HB ALA 25 -15.335 -6.431 -6.507 153 3HB ALA 25 3HB ALA 25 -16.011 -4.815 -6.709 154 H ALA 26 H ALA 26 -18.138 -5.134 -7.928 155 HA ALA 26 HA ALA 26 -20.522 -6.751 -8.286 156 1HB ALA 26 1HB ALA 26 -22.116 -5.408 -7.323 157 2HB ALA 26 2HB ALA 26 -21.230 -3.928 -7.689 158 3HB ALA 26 3HB ALA 26 -20.755 -4.923 -6.313 159 H ALA 27 H ALA 27 -21.269 -6.546 -10.365 160 HA ALA 27 HA ALA 27 -19.801 -5.312 -12.405 161 1HB ALA 27 1HB ALA 27 -21.880 -7.005 -12.240 162 2HB ALA 27 2HB ALA 27 -21.479 -6.162 -13.735 163 3HB ALA 27 3HB ALA 27 -22.758 -5.543 -12.689 164 H GLY 28 H GLY 28 -19.677 -3.232 -13.133 165 1HA GLY 28 2HA GLY 28 -20.778 -1.121 -13.733 166 2HA GLY 28 1HA GLY 28 -21.799 -1.323 -12.312 167 H GLU 29 H GLU 29 -18.498 -2.163 -11.874 168 HA GLU 29 HA GLU 29 -17.861 0.541 -10.780 169 1HB GLU 29 2HB GLU 29 -18.240 -2.049 -9.365 170 2HB GLU 29 1HB GLU 29 -16.894 -1.042 -8.825 171 1HG GLU 29 2HG GLU 29 -19.626 0.158 -9.233 172 2HG GLU 29 1HG GLU 29 -19.234 -0.677 -7.732 173 H THR 30 H THR 30 -15.604 0.956 -10.649 174 HA THR 30 HA THR 30 -13.817 -1.104 -11.902 175 HB THR 30 HB THR 30 -13.801 1.905 -12.309 176 HG1 THR 30 HG1 THR 30 -14.554 -0.082 -14.164 177 1HG2 THR 30 1HG2 THR 30 -11.695 0.279 -12.583 178 2HG2 THR 30 2HG2 THR 30 -11.993 1.607 -13.706 179 3HG2 THR 30 3HG2 THR 30 -12.466 -0.037 -14.138 180 H TYR 31 H TYR 31 -11.833 -1.354 -10.847 181 HA TYR 31 HA TYR 31 -11.277 0.523 -8.571 182 1HB TYR 31 2HB TYR 31 -10.821 -2.463 -8.866 183 2HB TYR 31 1HB TYR 31 -10.325 -1.508 -7.469 184 HD1 TYR 31 HD1 TYR 31 -11.833 -1.094 -5.709 185 HD2 TYR 31 HD2 TYR 31 -13.328 -2.381 -9.528 186 HE1 TYR 31 HE1 TYR 31 -14.110 -1.306 -4.747 187 HE2 TYR 31 HE2 TYR 31 -15.605 -2.592 -8.563 188 HH TYR 31 HH TYR 31 -16.338 -2.946 -5.646 189 H TYR 32 H TYR 32 -8.958 0.806 -8.087 190 HA TYR 32 HA TYR 32 -7.234 0.336 -10.498 191 1HB TYR 32 2HB TYR 32 -7.028 2.521 -8.406 192 2HB TYR 32 1HB TYR 32 -6.212 2.460 -9.970 193 HD1 TYR 32 HD1 TYR 32 -7.481 2.779 -12.070 194 HD2 TYR 32 HD2 TYR 32 -9.361 3.156 -8.226 195 HE1 TYR 32 HE1 TYR 32 -9.420 3.911 -13.125 196 HE2 TYR 32 HE2 TYR 32 -11.296 4.289 -9.285 197 HH TYR 32 HH TYR 32 -11.979 4.176 -12.455 198 H ILE 33 H ILE 33 -5.465 -0.944 -10.118 199 HA ILE 33 HA ILE 33 -4.644 -1.383 -7.265 200 HB ILE 33 HB ILE 33 -5.636 -3.326 -8.410 201 1HG1 ILE 33 2HG1 ILE 33 -2.706 -3.946 -8.431 202 2HG1 ILE 33 1HG1 ILE 33 -3.421 -3.374 -6.923 203 1HG2 ILE 33 1HG2 ILE 33 -5.147 -2.688 -10.718 204 2HG2 ILE 33 2HG2 ILE 33 -4.453 -4.276 -10.392 205 3HG2 ILE 33 3HG2 ILE 33 -3.415 -2.850 -10.423 206 1HD1 ILE 33 1HD1 ILE 33 -4.299 -5.409 -6.548 207 2HD1 ILE 33 2HD1 ILE 33 -3.551 -5.994 -8.034 208 3HD1 ILE 33 3HD1 ILE 33 -5.181 -5.319 -8.073 209 H ALA 34 H ALA 34 -2.379 -1.362 -6.821 210 HA ALA 34 HA ALA 34 -0.444 -0.974 -8.992 211 1HB ALA 34 1HB ALA 34 0.038 1.324 -7.550 212 2HB ALA 34 2HB ALA 34 -1.723 1.233 -7.517 213 3HB ALA 34 3HB ALA 34 -0.870 1.262 -9.061 214 H GLN 35 H GLN 35 1.760 -0.969 -8.180 215 HA GLN 35 HA GLN 35 2.026 -2.368 -5.598 216 1HB GLN 35 2HB GLN 35 3.153 -3.065 -7.726 217 2HB GLN 35 1HB GLN 35 4.084 -1.566 -7.675 218 1HG GLN 35 2HG GLN 35 5.589 -2.697 -6.424 219 2HG GLN 35 1HG GLN 35 4.404 -2.621 -5.120 220 1HE2 GLN 35 1HE2 GLN 35 6.195 -4.784 -7.025 221 2HE2 GLN 35 2HE2 GLN 35 5.289 -6.186 -6.722 222 H CYS 36 H CYS 36 3.007 -1.490 -3.794 223 HA CYS 36 HA CYS 36 4.238 1.225 -4.000 224 1HB CYS 36 2HB CYS 36 2.030 0.375 -2.092 225 2HB CYS 36 1HB CYS 36 2.796 1.962 -2.129 226 H ALA 37 H ALA 37 5.842 1.573 -2.353 227 HA ALA 37 HA ALA 37 6.343 -0.720 -0.486 228 1HB ALA 37 1HB ALA 37 8.788 -0.220 -0.984 229 2HB ALA 37 2HB ALA 37 8.223 0.849 -2.270 230 3HB ALA 37 3HB ALA 37 7.875 -0.879 -2.341 231 HA PRO 38 HA PRO 38 6.549 2.389 2.611 232 1HB PRO 38 2HB PRO 38 8.310 1.232 4.360 233 2HB PRO 38 1HB PRO 38 6.623 0.717 4.189 234 1HG PRO 38 2HG PRO 38 9.092 -0.488 3.029 235 2HG PRO 38 1HG PRO 38 7.675 -1.286 3.732 236 1HD PRO 38 2HD PRO 38 8.046 -1.085 1.055 237 2HD PRO 38 1HD PRO 38 6.431 -1.085 1.800 238 H VAL 39 H VAL 39 8.077 3.947 3.572 239 HA VAL 39 HA VAL 39 10.813 3.965 2.389 240 HB VAL 39 HB VAL 39 10.309 6.378 1.688 241 1HG1 VAL 39 1HG1 VAL 39 10.385 4.347 0.161 242 2HG1 VAL 39 2HG1 VAL 39 9.389 5.681 -0.420 243 3HG1 VAL 39 3HG1 VAL 39 8.629 4.267 0.311 244 1HG2 VAL 39 1HG2 VAL 39 8.144 6.277 3.161 245 2HG2 VAL 39 2HG2 VAL 39 7.430 5.496 1.750 246 3HG2 VAL 39 3HG2 VAL 39 8.085 7.128 1.616 247 H GLY 40 H GLY 40 11.098 3.547 4.826 248 1HA GLY 40 2HA GLY 40 12.184 4.575 6.696 249 2HA GLY 40 1HA GLY 40 11.558 6.138 6.164 250 H GLY 41 H GLY 41 9.013 6.127 6.165 251 1HA GLY 41 2HA GLY 41 7.758 4.499 8.237 252 2HA GLY 41 1HA GLY 41 8.040 6.164 8.747 253 H GLN 42 H GLN 42 7.451 5.604 5.384 254 HA GLN 42 HA GLN 42 4.601 6.449 5.700 255 1HB GLN 42 2HB GLN 42 6.823 7.636 4.019 256 2HB GLN 42 1HB GLN 42 5.120 7.965 3.695 257 1HG GLN 42 2HG GLN 42 5.402 8.354 6.455 258 2HG GLN 42 1HG GLN 42 6.843 9.087 5.749 259 1HE2 GLN 42 1HE2 GLN 42 3.759 9.882 6.641 260 2HE2 GLN 42 2HE2 GLN 42 3.446 11.123 5.528 261 H ASP 43 H ASP 43 3.843 6.503 3.091 262 HA ASP 43 HA ASP 43 4.619 3.806 2.029 263 1HB ASP 43 2HB ASP 43 2.028 5.085 2.702 264 2HB ASP 43 1HB ASP 43 2.057 4.173 1.191 265 H ALA 44 H ALA 44 5.256 3.817 -0.061 266 HA ALA 44 HA ALA 44 4.725 6.250 -1.726 267 1HB ALA 44 1HB ALA 44 6.991 4.657 -2.559 268 2HB ALA 44 2HB ALA 44 7.121 5.025 -0.839 269 3HB ALA 44 3HB ALA 44 6.970 6.334 -2.011 270 H CYS 45 H CYS 45 4.192 5.811 -3.964 271 HA CYS 45 HA CYS 45 3.580 2.927 -4.526 272 1HB CYS 45 2HB CYS 45 2.037 5.475 -4.899 273 2HB CYS 45 1HB CYS 45 1.718 4.106 -5.965 274 H ASN 46 H ASN 46 3.145 2.762 -7.063 275 HA ASN 46 HA ASN 46 5.348 4.245 -8.466 276 1HB ASN 46 2HB ASN 46 5.834 1.860 -7.865 277 2HB ASN 46 1HB ASN 46 4.452 1.373 -8.848 278 1HD2 ASN 46 1HD2 ASN 46 6.005 0.196 -10.284 279 2HD2 ASN 46 2HD2 ASN 46 6.922 1.065 -11.418 280 HA PRO 47 HA PRO 47 1.846 5.253 -11.059 281 1HB PRO 47 2HB PRO 47 3.195 6.972 -12.698 282 2HB PRO 47 1HB PRO 47 2.642 7.423 -11.076 283 1HG PRO 47 2HG PRO 47 5.361 6.636 -11.994 284 2HG PRO 47 1HG PRO 47 4.879 7.857 -10.804 285 1HD PRO 47 2HD PRO 47 5.830 5.372 -10.143 286 2HD PRO 47 1HD PRO 47 4.757 6.335 -9.103 287 H ALA 48 H ALA 48 4.613 3.473 -11.753 288 HA ALA 48 HA ALA 48 4.123 3.201 -14.650 289 1HB ALA 48 1HB ALA 48 6.399 3.225 -14.063 290 2HB ALA 48 2HB ALA 48 6.069 1.502 -14.239 291 3HB ALA 48 3HB ALA 48 6.132 2.229 -12.634 292 H THR 49 H THR 49 3.474 1.476 -11.661 293 HA THR 49 HA THR 49 2.426 -0.856 -13.219 294 HB THR 49 HB THR 49 2.549 -1.933 -10.923 295 HG1 THR 49 HG1 THR 49 3.337 -0.797 -9.296 296 1HG2 THR 49 1HG2 THR 49 4.345 -2.061 -12.701 297 2HG2 THR 49 2HG2 THR 49 4.919 -2.287 -11.050 298 3HG2 THR 49 3HG2 THR 49 5.163 -0.742 -11.864 299 H ALA 50 H ALA 50 0.996 1.776 -12.778 300 HA ALA 50 HA ALA 50 -1.171 1.037 -10.896 301 1HB ALA 50 1HB ALA 50 0.016 3.412 -12.012 302 2HB ALA 50 2HB ALA 50 -1.128 3.282 -10.675 303 3HB ALA 50 3HB ALA 50 -1.718 3.424 -12.330 304 H THR 51 H THR 51 -2.328 -0.640 -11.953 305 HA THR 51 HA THR 51 -3.289 -0.145 -14.727 306 HB THR 51 HB THR 51 -3.905 -2.538 -14.587 307 HG1 THR 51 HG1 THR 51 -4.031 -3.489 -12.722 308 1HG2 THR 51 1HG2 THR 51 -1.238 -2.667 -13.360 309 2HG2 THR 51 2HG2 THR 51 -1.367 -1.490 -14.667 310 3HG2 THR 51 3HG2 THR 51 -1.767 -3.182 -14.961 311 H SER 52 H SER 52 -5.634 -0.763 -15.118 312 HA SER 52 HA SER 52 -7.408 -0.168 -12.788 313 1HB SER 52 2HB SER 52 -8.675 1.311 -14.449 314 2HB SER 52 1HB SER 52 -7.116 1.929 -13.912 315 HG SER 52 HG SER 52 -6.375 1.702 -15.872 316 H PHE 53 H PHE 53 -9.179 -1.543 -12.763 317 HA PHE 53 HA PHE 53 -9.940 -2.900 -15.317 318 1HB PHE 53 2HB PHE 53 -10.011 -5.040 -14.001 319 2HB PHE 53 1HB PHE 53 -8.388 -4.362 -14.146 320 HD1 PHE 53 HD1 PHE 53 -11.056 -5.293 -11.875 321 HD2 PHE 53 HD2 PHE 53 -7.443 -3.001 -12.237 322 HE1 PHE 53 HE1 PHE 53 -10.879 -5.184 -9.405 323 HE2 PHE 53 HE2 PHE 53 -7.266 -2.890 -9.767 324 HZ PHE 53 HZ PHE 53 -8.984 -3.980 -8.351 325 H THR 54 H THR 54 -12.023 -4.279 -14.818 326 HA THR 54 HA THR 54 -13.797 -2.848 -12.876 327 HB THR 54 HB THR 54 -14.452 -3.548 -15.756 328 HG1 THR 54 HG1 THR 54 -13.424 -1.788 -16.184 329 1HG2 THR 54 1HG2 THR 54 -16.277 -3.372 -13.918 330 2HG2 THR 54 2HG2 THR 54 -16.508 -2.467 -15.413 331 3HG2 THR 54 3HG2 THR 54 -15.938 -1.642 -13.963 332 H THR 55 H THR 55 -15.671 -4.171 -12.238 333 HA THR 55 HA THR 55 -15.056 -7.045 -12.203 334 HB THR 55 HB THR 55 -17.357 -6.925 -10.917 335 HG1 THR 55 HG1 THR 55 -18.164 -4.992 -11.179 336 1HG2 THR 55 1HG2 THR 55 -15.670 -5.382 -9.241 337 2HG2 THR 55 2HG2 THR 55 -14.616 -6.383 -10.237 338 3HG2 THR 55 3HG2 THR 55 -15.871 -7.134 -9.248 339 H ASP 56 H ASP 56 -16.883 -8.613 -12.712 340 HA ASP 56 HA ASP 56 -17.976 -7.987 -15.389 341 1HB ASP 56 2HB ASP 56 -17.585 -10.424 -13.658 342 2HB ASP 56 1HB ASP 56 -18.595 -10.504 -15.103 343 H ALA 57 H ALA 57 -20.264 -9.536 -15.425 344 HA ALA 57 HA ALA 57 -22.212 -7.833 -14.182 345 1HB ALA 57 1HB ALA 57 -23.735 -9.215 -15.309 346 2HB ALA 57 2HB ALA 57 -22.755 -10.658 -15.051 347 3HB ALA 57 3HB ALA 57 -22.266 -9.464 -16.253 348 H SER 58 H SER 58 -20.659 -10.828 -13.208 349 HA SER 58 HA SER 58 -22.483 -11.185 -10.912 350 1HB SER 58 2HB SER 58 -19.984 -12.654 -11.790 351 2HB SER 58 1HB SER 58 -21.145 -13.220 -10.593 352 HG SER 58 HG SER 58 -22.703 -12.863 -12.449 353 H GLY 59 H GLY 59 -20.201 -8.988 -11.428 354 1HA GLY 59 2HA GLY 59 -18.801 -7.734 -10.022 355 2HA GLY 59 1HA GLY 59 -19.645 -8.484 -8.672 356 H ALA 60 H ALA 60 -17.374 -9.606 -11.208 357 HA ALA 60 HA ALA 60 -15.444 -10.456 -9.146 358 1HB ALA 60 1HB ALA 60 -17.486 -12.165 -9.822 359 2HB ALA 60 2HB ALA 60 -15.912 -12.691 -9.224 360 3HB ALA 60 3HB ALA 60 -16.229 -12.655 -10.958 361 H ALA 61 H ALA 61 -13.409 -10.183 -10.030 362 HA ALA 61 HA ALA 61 -13.182 -10.267 -13.019 363 1HB ALA 61 1HB ALA 61 -11.798 -8.334 -12.906 364 2HB ALA 61 2HB ALA 61 -11.587 -8.498 -11.162 365 3HB ALA 61 3HB ALA 61 -13.145 -7.997 -11.818 366 H SER 62 H SER 62 -10.924 -10.672 -13.745 367 HA SER 62 HA SER 62 -9.017 -11.888 -11.888 368 1HB SER 62 2HB SER 62 -9.431 -13.998 -13.642 369 2HB SER 62 1HB SER 62 -10.024 -13.923 -11.986 370 HG SER 62 HG SER 62 -11.364 -13.047 -14.337 371 H PHE 63 H PHE 63 -7.015 -11.439 -12.787 372 HA PHE 63 HA PHE 63 -6.596 -11.721 -15.676 373 1HB PHE 63 2HB PHE 63 -6.088 -9.323 -15.991 374 2HB PHE 63 1HB PHE 63 -7.750 -9.542 -15.441 375 HD1 PHE 63 HD1 PHE 63 -4.646 -7.912 -14.796 376 HD2 PHE 63 HD2 PHE 63 -8.153 -9.464 -12.856 377 HE1 PHE 63 HE1 PHE 63 -4.167 -6.506 -12.806 378 HE2 PHE 63 HE2 PHE 63 -7.672 -8.058 -10.870 379 HZ PHE 63 HZ PHE 63 -5.680 -6.583 -10.842 380 H SER 64 H SER 64 -4.275 -11.093 -16.221 381 HA SER 64 HA SER 64 -2.509 -11.944 -13.997 382 1HB SER 64 2HB SER 64 -1.938 -11.406 -16.922 383 2HB SER 64 1HB SER 64 -0.910 -12.294 -15.801 384 HG SER 64 HG SER 64 -2.373 -13.924 -15.753 385 H PHE 65 H PHE 65 -1.663 -10.321 -12.749 386 HA PHE 65 HA PHE 65 -1.268 -7.617 -13.914 387 1HB PHE 65 2HB PHE 65 -2.510 -7.655 -11.881 388 2HB PHE 65 1HB PHE 65 -1.379 -8.783 -11.132 389 HD1 PHE 65 HD1 PHE 65 -1.490 -5.372 -12.678 390 HD2 PHE 65 HD2 PHE 65 0.337 -7.958 -9.777 391 HE1 PHE 65 HE1 PHE 65 -0.153 -3.470 -11.827 392 HE2 PHE 65 HE2 PHE 65 1.675 -6.057 -8.924 393 HZ PHE 65 HZ PHE 65 1.432 -3.809 -9.945 394 H VAL 66 H VAL 66 0.804 -6.647 -13.955 395 HA VAL 66 HA VAL 66 3.084 -8.535 -13.724 396 HB VAL 66 HB VAL 66 3.040 -5.662 -14.658 397 1HG1 VAL 66 1HG1 VAL 66 5.273 -6.199 -14.655 398 2HG1 VAL 66 2HG1 VAL 66 4.853 -6.941 -16.200 399 3HG1 VAL 66 3HG1 VAL 66 4.961 -7.934 -14.745 400 1HG2 VAL 66 1HG2 VAL 66 2.196 -8.201 -16.035 401 2HG2 VAL 66 2HG2 VAL 66 2.890 -6.875 -16.969 402 3HG2 VAL 66 3HG2 VAL 66 1.410 -6.623 -16.045 403 H VAL 67 H VAL 67 5.045 -7.823 -12.636 404 HA VAL 67 HA VAL 67 4.593 -5.856 -10.423 405 HB VAL 67 HB VAL 67 5.934 -7.503 -9.036 406 1HG1 VAL 67 1HG1 VAL 67 3.417 -7.316 -9.025 407 2HG1 VAL 67 2HG1 VAL 67 4.028 -8.910 -8.579 408 3HG1 VAL 67 3HG1 VAL 67 3.377 -8.637 -10.194 409 1HG2 VAL 67 1HG2 VAL 67 6.746 -8.634 -11.248 410 2HG2 VAL 67 2HG2 VAL 67 5.220 -9.516 -11.159 411 3HG2 VAL 67 3HG2 VAL 67 6.395 -9.656 -9.854 412 H ARG 68 H ARG 68 6.477 -4.612 -9.938 413 HA ARG 68 HA ARG 68 8.844 -5.164 -11.693 414 1HB ARG 68 2HB ARG 68 7.488 -2.557 -10.958 415 2HB ARG 68 1HB ARG 68 9.006 -2.667 -11.851 416 1HG ARG 68 2HG ARG 68 7.865 -4.059 -13.570 417 2HG ARG 68 1HG ARG 68 6.346 -3.842 -12.703 418 1HD ARG 68 2HD ARG 68 6.039 -1.782 -13.593 419 2HD ARG 68 1HD ARG 68 7.706 -1.301 -13.214 420 HE ARG 68 HE ARG 68 7.928 -3.166 -15.288 421 1HH1 ARG 68 1HH1 ARG 68 5.435 -0.959 -15.283 422 2HH1 ARG 68 2HH1 ARG 68 5.951 -0.090 -16.689 423 1HH2 ARG 68 1HH2 ARG 68 9.023 -1.689 -16.873 424 2HH2 ARG 68 2HH2 ARG 68 7.983 -0.504 -17.589 425 H LYS 69 H LYS 69 10.224 -6.015 -10.172 426 HA LYS 69 HA LYS 69 10.538 -5.623 -7.483 427 1HB LYS 69 2HB LYS 69 11.889 -7.065 -8.996 428 2HB LYS 69 1HB LYS 69 12.747 -5.626 -9.555 429 1HG LYS 69 2HG LYS 69 13.131 -5.257 -6.956 430 2HG LYS 69 1HG LYS 69 12.889 -7.005 -6.906 431 1HD LYS 69 2HD LYS 69 14.921 -5.512 -8.581 432 2HD LYS 69 1HD LYS 69 15.256 -6.554 -7.203 433 1HE LYS 69 2HE LYS 69 13.754 -8.221 -8.796 434 2HE LYS 69 1HE LYS 69 14.687 -7.296 -9.989 435 1HZ LYS 69 1HZ LYS 69 16.651 -7.677 -8.469 436 2HZ LYS 69 2HZ LYS 69 16.096 -9.037 -9.321 437 3HZ LYS 69 3HZ LYS 69 15.707 -8.843 -7.678 438 H SER 70 H SER 70 12.332 -3.617 -9.855 439 HA SER 70 HA SER 70 12.648 -1.521 -7.756 440 1HB SER 70 2HB SER 70 14.655 -2.300 -8.843 441 2HB SER 70 1HB SER 70 13.940 -2.074 -10.436 442 HG SER 70 HG SER 70 15.359 -0.351 -9.712 443 H TYR 71 H TYR 71 11.990 0.633 -8.139 444 HA TYR 71 HA TYR 71 10.916 1.610 -10.623 445 1HB TYR 71 2HB TYR 71 8.566 1.403 -10.189 446 2HB TYR 71 1HB TYR 71 9.264 -0.189 -9.892 447 HD1 TYR 71 HD1 TYR 71 8.237 2.972 -8.185 448 HD2 TYR 71 HD2 TYR 71 9.072 -1.222 -7.775 449 HE1 TYR 71 HE1 TYR 71 7.381 3.029 -5.856 450 HE2 TYR 71 HE2 TYR 71 8.216 -1.166 -5.448 451 HH TYR 71 HH TYR 71 6.423 1.428 -4.210 452 H THR 72 H THR 72 10.244 3.848 -10.396 453 HA THR 72 HA THR 72 11.414 5.247 -8.159 454 HB THR 72 HB THR 72 9.379 6.364 -10.059 455 HG1 THR 72 HG1 THR 72 11.378 6.638 -11.400 456 1HG2 THR 72 1HG2 THR 72 10.931 8.302 -9.974 457 2HG2 THR 72 2HG2 THR 72 11.946 7.405 -8.845 458 3HG2 THR 72 3HG2 THR 72 10.309 7.872 -8.382 459 H GLY 73 H GLY 73 10.491 5.671 -6.199 460 1HA GLY 73 2HA GLY 73 7.658 4.968 -5.784 461 2HA GLY 73 1HA GLY 73 8.812 5.398 -4.522 462 H SER 74 H SER 74 6.098 6.467 -5.015 463 HA SER 74 HA SER 74 6.613 9.243 -4.500 464 1HB SER 74 2HB SER 74 6.300 10.213 -6.597 465 2HB SER 74 1HB SER 74 7.148 8.737 -7.042 466 HG SER 74 HG SER 74 5.139 7.791 -7.487 467 H THR 75 H THR 75 4.899 9.572 -3.138 468 HA THR 75 HA THR 75 2.566 8.152 -2.806 469 HB THR 75 HB THR 75 1.696 10.195 -1.795 470 HG1 THR 75 HG1 THR 75 2.031 11.721 -3.308 471 1HG2 THR 75 1HG2 THR 75 4.077 9.036 -1.141 472 2HG2 THR 75 2HG2 THR 75 3.303 10.306 -0.196 473 3HG2 THR 75 3HG2 THR 75 4.565 10.716 -1.358 474 HA PRO 76 HA PRO 76 0.282 8.696 -6.534 475 1HB PRO 76 2HB PRO 76 -2.188 7.994 -5.579 476 2HB PRO 76 1HB PRO 76 -0.904 6.811 -5.917 477 1HG PRO 76 2HG PRO 76 -1.754 7.989 -3.315 478 2HG PRO 76 1HG PRO 76 -1.273 6.328 -3.698 479 1HD PRO 76 2HD PRO 76 0.389 8.102 -2.486 480 2HD PRO 76 1HD PRO 76 0.971 6.797 -3.543 481 H GLU 77 H GLU 77 0.074 10.642 -3.794 482 HA GLU 77 HA GLU 77 -2.291 12.210 -4.478 483 1HB GLU 77 2HB GLU 77 -1.217 11.802 -2.190 484 2HB GLU 77 1HB GLU 77 0.019 12.960 -2.680 485 1HG GLU 77 2HG GLU 77 -1.435 14.444 -1.708 486 2HG GLU 77 1HG GLU 77 -2.176 14.387 -3.308 487 H GLY 78 H GLY 78 1.083 13.354 -4.152 488 1HA GLY 78 2HA GLY 78 1.137 14.452 -6.842 489 2HA GLY 78 1HA GLY 78 0.845 15.698 -5.628 490 H THR 79 H THR 79 2.483 15.734 -3.777 491 HA THR 79 HA THR 79 5.105 16.143 -4.695 492 HB THR 79 HB THR 79 5.498 15.520 -2.095 493 HG1 THR 79 HG1 THR 79 2.904 16.377 -1.852 494 1HG2 THR 79 1HG2 THR 79 4.331 17.893 -1.733 495 2HG2 THR 79 2HG2 THR 79 4.339 17.883 -3.498 496 3HG2 THR 79 3HG2 THR 79 5.855 17.737 -2.607 497 HA PRO 80 HA PRO 80 6.494 11.998 -5.312 498 1HB PRO 80 2HB PRO 80 9.139 12.560 -5.694 499 2HB PRO 80 1HB PRO 80 7.899 12.863 -6.927 500 1HG PRO 80 2HG PRO 80 9.220 14.771 -5.067 501 2HG PRO 80 1HG PRO 80 8.710 14.998 -6.747 502 1HD PRO 80 2HD PRO 80 7.310 15.930 -4.573 503 2HD PRO 80 1HD PRO 80 6.581 15.578 -6.156 504 H VAL 81 H VAL 81 8.518 10.678 -4.409 505 HA VAL 81 HA VAL 81 9.052 11.470 -1.576 506 HB VAL 81 HB VAL 81 7.982 8.898 -2.713 507 1HG1 VAL 81 1HG1 VAL 81 9.282 7.828 -1.191 508 2HG1 VAL 81 2HG1 VAL 81 8.182 8.506 0.010 509 3HG1 VAL 81 3HG1 VAL 81 9.695 9.332 -0.368 510 1HG2 VAL 81 1HG2 VAL 81 6.356 9.320 -0.762 511 2HG2 VAL 81 2HG2 VAL 81 6.232 10.396 -2.153 512 3HG2 VAL 81 3HG2 VAL 81 7.056 10.936 -0.694 513 H GLY 82 H GLY 82 10.043 9.668 -4.438 514 1HA GLY 82 2HA GLY 82 12.635 9.998 -4.681 515 2HA GLY 82 1HA GLY 82 12.669 9.072 -3.179 516 H SER 83 H SER 83 14.002 7.805 -4.993 517 HA SER 83 HA SER 83 12.354 6.142 -6.755 518 1HB SER 83 2HB SER 83 15.262 5.925 -5.944 519 2HB SER 83 1HB SER 83 14.518 5.203 -7.367 520 HG SER 83 HG SER 83 14.927 7.022 -8.316 521 H VAL 84 H VAL 84 12.431 3.728 -6.559 522 HA VAL 84 HA VAL 84 12.772 2.784 -3.741 523 HB VAL 84 HB VAL 84 10.416 2.574 -5.613 524 1HG1 VAL 84 1HG1 VAL 84 11.303 0.681 -3.476 525 2HG1 VAL 84 2HG1 VAL 84 10.446 0.349 -4.982 526 3HG1 VAL 84 3HG1 VAL 84 9.582 1.037 -3.607 527 1HG2 VAL 84 1HG2 VAL 84 9.233 3.628 -3.893 528 2HG2 VAL 84 2HG2 VAL 84 10.820 4.383 -3.750 529 3HG2 VAL 84 3HG2 VAL 84 10.360 3.082 -2.651 530 H ASP 85 H ASP 85 13.160 0.475 -3.584 531 HA ASP 85 HA ASP 85 13.649 -1.038 -6.087 532 1HB ASP 85 2HB ASP 85 15.756 -0.274 -4.039 533 2HB ASP 85 1HB ASP 85 16.005 -1.494 -5.290 534 H CYS 86 H CYS 86 12.011 -2.455 -5.258 535 HA CYS 86 HA CYS 86 12.201 -3.634 -2.606 536 1HB CYS 86 2HB CYS 86 10.547 -4.212 -5.072 537 2HB CYS 86 1HB CYS 86 10.275 -4.962 -3.500 538 H ALA 87 H ALA 87 14.500 -4.102 -4.640 539 HA ALA 87 HA ALA 87 14.452 -6.795 -5.559 540 1HB ALA 87 1HB ALA 87 16.711 -6.398 -5.994 541 2HB ALA 87 2HB ALA 87 16.952 -5.542 -4.471 542 3HB ALA 87 3HB ALA 87 16.135 -4.741 -5.814 543 H THR 88 H THR 88 15.304 -5.369 -2.465 544 HA THR 88 HA THR 88 15.145 -8.064 -1.202 545 HB THR 88 HB THR 88 17.509 -7.487 -1.672 546 HG1 THR 88 HG1 THR 88 17.210 -6.984 1.058 547 1HG2 THR 88 1HG2 THR 88 16.700 -4.904 -1.283 548 2HG2 THR 88 2HG2 THR 88 18.384 -5.426 -1.310 549 3HG2 THR 88 3HG2 THR 88 17.545 -5.238 0.229 550 H ALA 89 H ALA 89 13.774 -5.177 -1.421 551 HA ALA 89 HA ALA 89 13.593 -4.503 1.453 552 1HB ALA 89 1HB ALA 89 12.113 -3.130 -0.766 553 2HB ALA 89 2HB ALA 89 13.868 -2.963 -0.693 554 3HB ALA 89 3HB ALA 89 12.875 -2.428 0.663 555 H ALA 90 H ALA 90 11.218 -3.883 2.105 556 HA ALA 90 HA ALA 90 9.536 -6.263 1.594 557 1HB ALA 90 1HB ALA 90 8.264 -5.354 3.499 558 2HB ALA 90 2HB ALA 90 9.216 -3.871 3.433 559 3HB ALA 90 3HB ALA 90 9.987 -5.394 3.876 560 H CYS 91 H CYS 91 8.570 -5.966 -0.446 561 HA CYS 91 HA CYS 91 7.189 -3.381 -0.998 562 1HB CYS 91 2HB CYS 91 8.742 -5.154 -2.477 563 2HB CYS 91 1HB CYS 91 7.102 -5.488 -3.025 564 H ASN 92 H ASN 92 4.927 -3.417 -1.652 565 HA ASN 92 HA ASN 92 3.433 -5.934 -1.074 566 1HB ASN 92 2HB ASN 92 1.826 -4.361 0.230 567 2HB ASN 92 1HB ASN 92 3.338 -4.818 1.014 568 1HD2 ASN 92 1HD2 ASN 92 4.803 -3.141 1.543 569 2HD2 ASN 92 2HD2 ASN 92 4.572 -1.514 1.115 570 H LEU 93 H LEU 93 0.969 -5.427 -1.598 571 HA LEU 93 HA LEU 93 0.758 -3.600 -3.963 572 1HB LEU 93 2HB LEU 93 1.221 -5.774 -4.867 573 2HB LEU 93 1HB LEU 93 0.121 -6.553 -3.730 574 HG LEU 93 HG LEU 93 -1.780 -5.339 -4.783 575 1HD1 LEU 93 1HD1 LEU 93 -1.305 -4.272 -7.020 576 2HD1 LEU 93 2HD1 LEU 93 0.415 -4.399 -6.648 577 3HD1 LEU 93 3HD1 LEU 93 -0.634 -3.398 -5.644 578 1HD2 LEU 93 1HD2 LEU 93 -0.059 -7.330 -6.140 579 2HD2 LEU 93 2HD2 LEU 93 -1.196 -6.500 -7.203 580 3HD2 LEU 93 3HD2 LEU 93 -1.789 -7.388 -5.797 581 H GLY 94 H GLY 94 -1.271 -2.555 -4.065 582 1HA GLY 94 2HA GLY 94 -3.368 -3.563 -2.173 583 2HA GLY 94 1HA GLY 94 -2.957 -1.846 -2.222 584 H ALA 95 H ALA 95 -5.544 -3.173 -2.848 585 HA ALA 95 HA ALA 95 -5.952 -1.912 -5.517 586 1HB ALA 95 1HB ALA 95 -5.752 -4.020 -6.370 587 2HB ALA 95 2HB ALA 95 -7.400 -4.206 -5.778 588 3HB ALA 95 3HB ALA 95 -6.044 -4.784 -4.809 589 H GLY 96 H GLY 96 -7.917 -0.845 -5.583 590 1HA GLY 96 2HA GLY 96 -10.344 -1.653 -4.412 591 2HA GLY 96 1HA GLY 96 -9.537 -0.643 -3.210 592 H ASN 97 H ASN 97 -10.796 1.217 -3.332 593 HA ASN 97 HA ASN 97 -10.453 2.889 -5.727 594 1HB ASN 97 2HB ASN 97 -12.332 1.525 -6.398 595 2HB ASN 97 1HB ASN 97 -13.128 1.774 -4.843 596 1HD2 ASN 97 1HD2 ASN 97 -12.015 3.561 -7.746 597 2HD2 ASN 97 2HD2 ASN 97 -13.161 4.804 -7.613 598 H SER 98 H SER 98 -11.428 5.087 -5.361 599 HA SER 98 HA SER 98 -10.663 6.578 -3.271 600 1HB SER 98 2HB SER 98 -11.921 7.583 -5.002 601 2HB SER 98 1HB SER 98 -13.313 6.547 -4.708 602 HG SER 98 HG SER 98 -13.981 8.019 -3.378 603 H GLY 99 H GLY 99 -13.667 4.638 -3.079 604 1HA GLY 99 2HA GLY 99 -13.550 5.026 -0.114 605 2HA GLY 99 1HA GLY 99 -15.058 4.821 -1.004 606 H LEU 100 H LEU 100 -15.274 2.703 -2.192 607 HA LEU 100 HA LEU 100 -15.182 0.472 -0.565 608 1HB LEU 100 2HB LEU 100 -16.064 0.966 -3.006 609 2HB LEU 100 1HB LEU 100 -14.549 0.198 -3.482 610 HG LEU 100 HG LEU 100 -16.409 -1.079 -1.478 611 1HD1 LEU 100 1HD1 LEU 100 -16.754 -0.761 -4.370 612 2HD1 LEU 100 2HD1 LEU 100 -17.901 -1.337 -3.159 613 3HD1 LEU 100 3HD1 LEU 100 -16.733 -2.451 -3.868 614 1HD2 LEU 100 1HD2 LEU 100 -15.068 -2.990 -3.011 615 2HD2 LEU 100 2HD2 LEU 100 -14.629 -2.476 -1.381 616 3HD2 LEU 100 3HD2 LEU 100 -13.870 -1.716 -2.781 617 H ASP 101 H ASP 101 -13.376 -0.169 0.578 618 HA ASP 101 HA ASP 101 -10.750 -0.311 -0.850 619 1HB ASP 101 2HB ASP 101 -9.849 -0.347 1.458 620 2HB ASP 101 1HB ASP 101 -10.921 1.035 1.222 621 H LEU 102 H LEU 102 -10.699 -2.353 -1.816 622 HA LEU 102 HA LEU 102 -11.922 -4.709 -0.689 623 1HB LEU 102 2HB LEU 102 -9.874 -4.147 -2.839 624 2HB LEU 102 1HB LEU 102 -10.437 -5.782 -2.487 625 HG LEU 102 HG LEU 102 -12.465 -3.613 -2.912 626 1HD1 LEU 102 1HD1 LEU 102 -12.181 -4.855 -5.387 627 2HD1 LEU 102 2HD1 LEU 102 -10.519 -4.542 -4.886 628 3HD1 LEU 102 3HD1 LEU 102 -11.674 -3.213 -4.991 629 1HD2 LEU 102 1HD2 LEU 102 -12.512 -6.373 -2.427 630 2HD2 LEU 102 2HD2 LEU 102 -12.880 -6.221 -4.145 631 3HD2 LEU 102 3HD2 LEU 102 -13.872 -5.382 -2.953 632 H GLY 103 H GLY 103 -8.619 -5.262 -1.569 633 1HA GLY 103 2HA GLY 103 -7.699 -5.314 1.240 634 2HA GLY 103 1HA GLY 103 -7.779 -6.871 0.416 635 H HIS 104 H HIS 104 -5.344 -6.495 1.108 636 HA HIS 104 HA HIS 104 -3.919 -5.530 -1.333 637 1HB HIS 104 2HB HIS 104 -2.417 -4.226 0.008 638 2HB HIS 104 1HB HIS 104 -4.036 -3.832 0.584 639 HD1 HIS 104 HD1 HIS 104 -0.913 -4.379 1.988 640 HD2 HIS 104 HD2 HIS 104 -4.634 -6.088 2.771 641 HE1 HIS 104 HE1 HIS 104 -0.782 -5.347 4.326 642 H VAL 105 H VAL 105 -2.301 -6.954 -1.946 643 HA VAL 105 HA VAL 105 -1.715 -9.238 -0.091 644 HB VAL 105 HB VAL 105 -1.566 -8.860 -3.095 645 1HG1 VAL 105 1HG1 VAL 105 -0.259 -10.693 -3.282 646 2HG1 VAL 105 2HG1 VAL 105 -1.236 -11.585 -2.115 647 3HG1 VAL 105 3HG1 VAL 105 0.062 -10.532 -1.555 648 1HG2 VAL 105 1HG2 VAL 105 -3.750 -9.352 -1.632 649 2HG2 VAL 105 2HG2 VAL 105 -3.128 -11.000 -1.709 650 3HG2 VAL 105 3HG2 VAL 105 -3.498 -10.127 -3.196 651 H ALA 106 H ALA 106 0.361 -9.474 0.682 652 HA ALA 106 HA ALA 106 2.379 -7.447 -0.007 653 1HB ALA 106 1HB ALA 106 3.081 -7.952 2.088 654 2HB ALA 106 2HB ALA 106 3.203 -9.669 1.701 655 3HB ALA 106 3HB ALA 106 1.658 -8.987 2.210 656 H LEU 107 H LEU 107 4.378 -7.901 -1.036 657 HA LEU 107 HA LEU 107 4.616 -10.619 -2.300 658 1HB LEU 107 2HB LEU 107 5.603 -8.032 -3.512 659 2HB LEU 107 1HB LEU 107 5.230 -9.550 -4.326 660 HG LEU 107 HG LEU 107 3.179 -7.779 -2.965 661 1HD1 LEU 107 1HD1 LEU 107 4.247 -6.811 -5.044 662 2HD1 LEU 107 2HD1 LEU 107 2.510 -7.085 -5.177 663 3HD1 LEU 107 3HD1 LEU 107 3.640 -8.211 -5.928 664 1HD2 LEU 107 1HD2 LEU 107 3.097 -10.395 -4.442 665 2HD2 LEU 107 2HD2 LEU 107 1.710 -9.310 -4.524 666 3HD2 LEU 107 3HD2 LEU 107 2.256 -9.925 -2.965 667 H THR 108 H THR 108 7.001 -10.928 -3.082 668 HA THR 108 HA THR 108 9.012 -9.533 -1.422 669 HB THR 108 HB THR 108 8.180 -12.408 -1.137 670 HG1 THR 108 HG1 THR 108 7.841 -11.816 0.917 671 1HG2 THR 108 1HG2 THR 108 10.850 -11.165 -0.754 672 2HG2 THR 108 2HG2 THR 108 10.432 -12.833 -1.144 673 3HG2 THR 108 3HG2 THR 108 10.296 -12.256 0.517 674 H PHE 109 H PHE 109 10.676 -9.157 -2.819 675 HA PHE 109 HA PHE 109 11.010 -10.891 -5.202 676 1HB PHE 109 2HB PHE 109 12.046 -8.226 -4.252 677 2HB PHE 109 1HB PHE 109 12.727 -9.014 -5.673 678 HD1 PHE 109 HD1 PHE 109 9.348 -8.250 -4.210 679 HD2 PHE 109 HD2 PHE 109 11.800 -8.489 -7.730 680 HE1 PHE 109 HE1 PHE 109 7.460 -7.414 -5.584 681 HE2 PHE 109 HE2 PHE 109 9.914 -7.655 -9.106 682 HZ PHE 109 HZ PHE 109 7.739 -7.117 -8.033 683 H GLY 110 H GLY 110 12.978 -11.993 -5.639 684 1HA GLY 110 2HA GLY 110 15.382 -12.341 -5.011 685 2HA GLY 110 1HA GLY 110 14.871 -12.188 -3.329 686 2H2' ROM 111 2H2' ROM 111 -10.092 5.529 -8.180 687 2H3' ROM 111 2H3' ROM 111 -7.730 6.074 -9.733 688 H'1 ROM 111 H'1 ROM 111 -3.484 4.643 -8.834 689 3H18 ROM 111 3H18 ROM 111 -5.359 1.428 -0.070 690 2H18 ROM 111 2H18 ROM 111 -3.865 1.448 0.740 691 2H23 ROM 111 2H23 ROM 111 -5.447 7.872 -1.937 692 H1' ROM 111 H1' ROM 111 -7.723 7.740 -6.975 693 H2' ROM 111 H2' ROM 111 -10.581 7.816 -7.871 694 H3' ROM 111 H3' ROM 111 -9.595 6.983 -9.963 695 H4' ROM 111 H4' ROM 111 -9.847 9.392 -9.682 696 1H6B ROM 111 1H6B ROM 111 -8.337 11.390 -9.861 697 3H6B ROM 111 3H6B ROM 111 -8.993 11.695 -8.252 698 2H6B ROM 111 2H6B ROM 111 -7.248 11.725 -8.515 699 1H6A ROM 111 1H6A ROM 111 -6.183 9.544 -9.430 700 3H6A ROM 111 3H6A ROM 111 -6.107 9.912 -7.709 701 2H6A ROM 111 2H6A ROM 111 -6.541 8.295 -8.247 702 1H4B ROM 111 1H4B ROM 111 -8.765 9.603 -12.906 703 3H4B ROM 111 3H4B ROM 111 -9.883 8.568 -11.999 704 2H4B ROM 111 2H4B ROM 111 -9.831 10.310 -11.678 705 1H4A ROM 111 1H4A ROM 111 -6.978 8.344 -12.348 706 3H4A ROM 111 3H4A ROM 111 -6.488 8.122 -10.658 707 2H4A ROM 111 2H4A ROM 111 -7.864 7.213 -11.309 708 H'8 ROM 111 H'8 ROM 111 0.741 5.800 -7.288 709 H'6 ROM 111 H'6 ROM 111 0.292 7.773 -11.049 710 1H3A ROM 111 1H3A ROM 111 -5.142 7.466 -12.412 711 2H3A ROM 111 2H3A ROM 111 -3.966 6.609 -13.559 712 1H7A ROM 111 1H7A ROM 111 1.604 8.944 -7.987 713 3H7A ROM 111 3H7A ROM 111 2.938 9.055 -9.134 714 2H7A ROM 111 2H7A ROM 111 1.275 9.071 -9.713 715 H3 ROM 111 H3 ROM 111 -4.441 6.597 -6.194 716 H6 ROM 111 H6 ROM 111 -7.577 3.570 -3.880 717 H5 ROM 111 H5 ROM 111 -5.495 2.647 -4.875 718 H12 ROM 111 H12 ROM 111 -5.101 9.010 -5.179 719 H8 ROM 111 H8 ROM 111 -9.265 5.875 -4.263 720 H13 ROM 111 H13 ROM 111 -3.674 3.179 -6.730 721 H10 ROM 111 H10 ROM 111 -8.698 9.212 -2.954 722 H11 ROM 111 H11 ROM 111 -6.430 10.412 -3.482 723 2H14 ROM 111 2H14 ROM 111 -2.311 2.504 -5.064 724 1H14 ROM 111 1H14 ROM 111 -1.767 4.162 -4.776 725 2H17 ROM 111 2H17 ROM 111 -4.379 1.818 -2.266 726 1H17 ROM 111 1H17 ROM 111 -2.938 1.483 -1.308 727 H18 ROM 111 H18 ROM 111 -3.387 3.648 -0.063 728 H20 ROM 111 H20 ROM 111 -6.827 2.646 -0.411 729 H24 ROM 111 H24 ROM 111 -3.940 5.522 -1.671 730 4H18 ROM 111 4H18 ROM 111 -5.111 2.495 1.228 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -16.957 -7.911 4.737 2 2H ALA 1 2H ALA 1 -15.842 -7.249 5.833 3 3H ALA 1 3H ALA 1 -15.481 -8.699 5.026 4 HA ALA 1 HA ALA 1 -15.966 -6.205 3.510 5 1HB ALA 1 1HB ALA 1 -13.228 -6.515 3.728 6 2HB ALA 1 2HB ALA 1 -13.790 -6.953 5.342 7 3HB ALA 1 3HB ALA 1 -14.191 -5.372 4.666 8 HA PRO 2 HA PRO 2 -15.090 -8.819 0.118 9 1HB PRO 2 2HB PRO 2 -13.451 -7.280 -1.449 10 2HB PRO 2 1HB PRO 2 -15.191 -6.978 -1.273 11 1HG PRO 2 2HG PRO 2 -12.895 -5.627 0.061 12 2HG PRO 2 1HG PRO 2 -14.401 -4.935 -0.566 13 1HD PRO 2 2HD PRO 2 -13.967 -5.411 2.078 14 2HD PRO 2 1HD PRO 2 -15.579 -5.457 1.330 15 H ALA 3 H ALA 3 -12.852 -9.276 -1.394 16 HA ALA 3 HA ALA 3 -10.526 -9.602 0.402 17 1HB ALA 3 1HB ALA 3 -10.901 -11.795 0.793 18 2HB ALA 3 2HB ALA 3 -11.189 -12.107 -0.919 19 3HB ALA 3 3HB ALA 3 -12.509 -11.557 0.113 20 H PHE 4 H PHE 4 -8.598 -9.863 -0.739 21 HA PHE 4 HA PHE 4 -8.765 -9.925 -3.735 22 1HB PHE 4 2HB PHE 4 -8.364 -7.653 -2.906 23 2HB PHE 4 1HB PHE 4 -7.061 -8.234 -1.871 24 HD1 PHE 4 HD1 PHE 4 -4.898 -7.965 -2.645 25 HD2 PHE 4 HD2 PHE 4 -8.088 -8.415 -5.478 26 HE1 PHE 4 HE1 PHE 4 -3.284 -7.671 -4.502 27 HE2 PHE 4 HE2 PHE 4 -6.478 -8.119 -7.339 28 HZ PHE 4 HZ PHE 4 -4.071 -7.746 -6.852 29 H SER 5 H SER 5 -7.499 -11.622 -4.545 30 HA SER 5 HA SER 5 -5.175 -12.499 -2.870 31 1HB SER 5 2HB SER 5 -6.134 -14.844 -3.844 32 2HB SER 5 1HB SER 5 -6.580 -14.185 -2.273 33 HG SER 5 HG SER 5 -8.466 -13.521 -3.076 34 H VAL 6 H VAL 6 -3.471 -13.447 -4.003 35 HA VAL 6 HA VAL 6 -3.558 -13.249 -7.000 36 HB VAL 6 HB VAL 6 -2.268 -11.469 -5.848 37 1HG1 VAL 6 1HG1 VAL 6 -0.953 -13.864 -4.561 38 2HG1 VAL 6 2HG1 VAL 6 -1.693 -12.472 -3.773 39 3HG1 VAL 6 3HG1 VAL 6 -0.157 -12.292 -4.625 40 1HG2 VAL 6 1HG2 VAL 6 -0.038 -13.145 -6.810 41 2HG2 VAL 6 2HG2 VAL 6 -0.583 -11.567 -7.379 42 3HG2 VAL 6 3HG2 VAL 6 -1.395 -13.033 -7.928 43 H SER 7 H SER 7 -2.050 -14.889 -8.054 44 HA SER 7 HA SER 7 -2.212 -17.471 -6.766 45 1HB SER 7 2HB SER 7 -2.203 -17.660 -9.065 46 2HB SER 7 1HB SER 7 -1.119 -16.290 -9.279 47 HG SER 7 HG SER 7 -0.388 -18.667 -9.564 48 HA PRO 8 HA PRO 8 2.424 -17.174 -5.945 49 1HB PRO 8 2HB PRO 8 3.920 -15.152 -7.009 50 2HB PRO 8 1HB PRO 8 3.570 -16.646 -7.898 51 1HG PRO 8 2HG PRO 8 2.328 -13.957 -8.157 52 2HG PRO 8 1HG PRO 8 2.694 -15.160 -9.405 53 1HD PRO 8 2HD PRO 8 0.188 -14.733 -8.354 54 2HD PRO 8 1HD PRO 8 0.727 -16.245 -9.111 55 H ALA 9 H ALA 9 4.102 -14.957 -5.189 56 HA ALA 9 HA ALA 9 2.939 -12.671 -4.071 57 1HB ALA 9 1HB ALA 9 2.118 -15.178 -2.798 58 2HB ALA 9 2HB ALA 9 1.414 -13.572 -2.651 59 3HB ALA 9 3HB ALA 9 2.788 -14.027 -1.650 60 H SER 10 H SER 10 5.199 -15.305 -3.737 61 HA SER 10 HA SER 10 7.127 -13.423 -2.435 62 1HB SER 10 2HB SER 10 7.671 -15.059 -0.863 63 2HB SER 10 1HB SER 10 5.948 -15.357 -1.072 64 HG SER 10 HG SER 10 7.798 -17.097 -1.366 65 H GLY 11 H GLY 11 9.410 -13.991 -2.925 66 1HA GLY 11 2HA GLY 11 11.096 -14.514 -4.474 67 2HA GLY 11 1HA GLY 11 10.224 -16.030 -4.705 68 H LEU 12 H LEU 12 9.464 -12.621 -5.475 69 HA LEU 12 HA LEU 12 8.382 -13.459 -8.091 70 1HB LEU 12 2HB LEU 12 8.622 -10.773 -6.708 71 2HB LEU 12 1HB LEU 12 7.654 -11.102 -8.147 72 HG LEU 12 HG LEU 12 7.292 -12.428 -5.447 73 1HD1 LEU 12 1HD1 LEU 12 5.185 -10.756 -6.703 74 2HD1 LEU 12 2HD1 LEU 12 6.582 -9.899 -6.049 75 3HD1 LEU 12 3HD1 LEU 12 5.617 -10.941 -5.004 76 1HD2 LEU 12 1HD2 LEU 12 5.641 -12.597 -7.989 77 2HD2 LEU 12 2HD2 LEU 12 5.288 -13.411 -6.466 78 3HD2 LEU 12 3HD2 LEU 12 6.715 -13.863 -7.396 79 H SER 13 H SER 13 9.003 -11.237 -9.638 80 HA SER 13 HA SER 13 11.934 -10.883 -9.665 81 1HB SER 13 2HB SER 13 12.320 -12.467 -11.235 82 2HB SER 13 1HB SER 13 10.660 -13.009 -11.011 83 HG SER 13 HG SER 13 11.806 -11.531 -13.040 84 H ASP 14 H ASP 14 12.555 -9.169 -11.131 85 HA ASP 14 HA ASP 14 10.683 -7.047 -11.433 86 1HB ASP 14 2HB ASP 14 12.532 -6.203 -13.030 87 2HB ASP 14 1HB ASP 14 13.008 -6.549 -11.371 88 H GLY 15 H GLY 15 9.069 -6.824 -12.937 89 1HA GLY 15 2HA GLY 15 8.130 -6.819 -15.134 90 2HA GLY 15 1HA GLY 15 9.478 -7.817 -15.674 91 H GLN 16 H GLN 16 8.960 -9.585 -13.241 92 HA GLN 16 HA GLN 16 7.597 -11.701 -14.452 93 1HB GLN 16 2HB GLN 16 8.784 -12.117 -12.452 94 2HB GLN 16 1HB GLN 16 7.961 -10.815 -11.595 95 1HG GLN 16 2HG GLN 16 5.953 -12.052 -11.391 96 2HG GLN 16 1HG GLN 16 6.437 -13.197 -12.641 97 1HE2 GLN 16 1HE2 GLN 16 5.640 -13.957 -9.940 98 2HE2 GLN 16 2HE2 GLN 16 6.990 -14.681 -9.210 99 H SER 17 H SER 17 5.450 -12.234 -14.750 100 HA SER 17 HA SER 17 3.422 -10.206 -13.901 101 1HB SER 17 2HB SER 17 3.134 -12.375 -15.979 102 2HB SER 17 1HB SER 17 2.230 -10.869 -15.851 103 HG SER 17 HG SER 17 3.768 -9.904 -16.907 104 H VAL 18 H VAL 18 2.019 -10.851 -12.306 105 HA VAL 18 HA VAL 18 1.799 -13.785 -11.722 106 HB VAL 18 HB VAL 18 1.240 -12.999 -9.443 107 1HG1 VAL 18 1HG1 VAL 18 3.433 -12.573 -8.880 108 2HG1 VAL 18 2HG1 VAL 18 3.634 -11.364 -10.147 109 3HG1 VAL 18 3HG1 VAL 18 3.684 -13.079 -10.550 110 1HG2 VAL 18 1HG2 VAL 18 0.552 -10.878 -9.066 111 2HG2 VAL 18 2HG2 VAL 18 0.594 -10.620 -10.810 112 3HG2 VAL 18 3HG2 VAL 18 2.002 -10.221 -9.826 113 H SER 19 H SER 19 -0.369 -14.583 -11.180 114 HA SER 19 HA SER 19 -2.487 -13.190 -12.707 115 1HB SER 19 2HB SER 19 -2.269 -15.843 -11.261 116 2HB SER 19 1HB SER 19 -3.717 -15.328 -12.124 117 HG SER 19 HG SER 19 -1.729 -16.575 -13.156 118 H VAL 20 H VAL 20 -4.215 -12.127 -11.718 119 HA VAL 20 HA VAL 20 -4.337 -12.276 -8.726 120 HB VAL 20 HB VAL 20 -4.574 -9.942 -10.635 121 1HG1 VAL 20 1HG1 VAL 20 -5.040 -8.593 -8.603 122 2HG1 VAL 20 2HG1 VAL 20 -5.144 -10.082 -7.664 123 3HG1 VAL 20 3HG1 VAL 20 -6.319 -9.757 -8.938 124 1HG2 VAL 20 1HG2 VAL 20 -2.659 -9.084 -9.477 125 2HG2 VAL 20 2HG2 VAL 20 -2.294 -10.771 -9.839 126 3HG2 VAL 20 3HG2 VAL 20 -2.795 -10.305 -8.212 127 H SER 21 H SER 21 -6.515 -11.574 -7.889 128 HA SER 21 HA SER 21 -8.813 -11.596 -9.684 129 1HB SER 21 2HB SER 21 -9.528 -13.786 -9.358 130 2HB SER 21 1HB SER 21 -7.782 -14.021 -9.350 131 HG SER 21 HG SER 21 -7.814 -14.241 -7.195 132 H VAL 22 H VAL 22 -9.965 -10.029 -8.617 133 HA VAL 22 HA VAL 22 -9.890 -9.886 -5.667 134 HB VAL 22 HB VAL 22 -11.325 -8.121 -7.655 135 1HG1 VAL 22 1HG1 VAL 22 -11.962 -7.499 -5.480 136 2HG1 VAL 22 2HG1 VAL 22 -10.594 -6.432 -5.803 137 3HG1 VAL 22 3HG1 VAL 22 -10.374 -7.871 -4.808 138 1HG2 VAL 22 1HG2 VAL 22 -8.823 -7.005 -6.862 139 2HG2 VAL 22 2HG2 VAL 22 -9.331 -7.478 -8.484 140 3HG2 VAL 22 3HG2 VAL 22 -8.511 -8.641 -7.443 141 H SER 23 H SER 23 -12.117 -9.288 -4.664 142 HA SER 23 HA SER 23 -14.523 -10.370 -5.892 143 1HB SER 23 2HB SER 23 -14.675 -12.311 -4.313 144 2HB SER 23 1HB SER 23 -13.325 -12.449 -5.432 145 HG SER 23 HG SER 23 -12.543 -12.873 -3.401 146 H GLY 24 H GLY 24 -16.373 -10.277 -4.297 147 1HA GLY 24 2HA GLY 24 -17.417 -9.462 -2.309 148 2HA GLY 24 1HA GLY 24 -15.846 -8.875 -1.758 149 H ALA 25 H ALA 25 -15.525 -7.621 -4.564 150 HA ALA 25 HA ALA 25 -16.330 -4.961 -3.882 151 1HB ALA 25 1HB ALA 25 -15.481 -4.450 -6.059 152 2HB ALA 25 2HB ALA 25 -15.857 -6.066 -6.659 153 3HB ALA 25 3HB ALA 25 -14.544 -5.839 -5.506 154 H ALA 26 H ALA 26 -17.455 -5.002 -6.965 155 HA ALA 26 HA ALA 26 -20.103 -6.109 -6.706 156 1HB ALA 26 1HB ALA 26 -19.630 -3.853 -5.177 157 2HB ALA 26 2HB ALA 26 -21.224 -4.432 -5.667 158 3HB ALA 26 3HB ALA 26 -20.401 -3.196 -6.622 159 H ALA 27 H ALA 27 -20.889 -6.322 -8.721 160 HA ALA 27 HA ALA 27 -19.582 -5.494 -11.064 161 1HB ALA 27 1HB ALA 27 -21.361 -6.561 -12.076 162 2HB ALA 27 2HB ALA 27 -22.550 -5.785 -11.032 163 3HB ALA 27 3HB ALA 27 -21.598 -7.140 -10.426 164 H GLY 28 H GLY 28 -19.693 -3.657 -12.313 165 1HA GLY 28 2HA GLY 28 -20.822 -1.679 -13.167 166 2HA GLY 28 1HA GLY 28 -21.726 -1.598 -11.660 167 H GLU 29 H GLU 29 -18.399 -2.310 -11.293 168 HA GLU 29 HA GLU 29 -17.775 0.571 -10.804 169 1HB GLU 29 2HB GLU 29 -17.465 -1.790 -8.929 170 2HB GLU 29 1HB GLU 29 -16.739 -0.208 -8.634 171 1HG GLU 29 2HG GLU 29 -19.612 -0.131 -9.312 172 2HG GLU 29 1HG GLU 29 -19.241 -0.930 -7.787 173 H THR 30 H THR 30 -15.578 1.086 -11.072 174 HA THR 30 HA THR 30 -13.874 -1.098 -12.218 175 HB THR 30 HB THR 30 -13.444 1.809 -12.781 176 HG1 THR 30 HG1 THR 30 -15.311 2.020 -13.686 177 1HG2 THR 30 1HG2 THR 30 -12.564 -0.701 -13.789 178 2HG2 THR 30 2HG2 THR 30 -12.115 0.910 -14.350 179 3HG2 THR 30 3HG2 THR 30 -13.499 0.081 -15.063 180 H TYR 31 H TYR 31 -12.159 -1.578 -10.895 181 HA TYR 31 HA TYR 31 -11.282 0.472 -8.906 182 1HB TYR 31 2HB TYR 31 -10.874 -2.530 -9.103 183 2HB TYR 31 1HB TYR 31 -10.327 -1.520 -7.763 184 HD1 TYR 31 HD1 TYR 31 -12.013 -0.289 -6.360 185 HD2 TYR 31 HD2 TYR 31 -13.157 -3.220 -9.286 186 HE1 TYR 31 HE1 TYR 31 -14.251 -0.467 -5.306 187 HE2 TYR 31 HE2 TYR 31 -15.395 -3.395 -8.232 188 HH TYR 31 HH TYR 31 -16.876 -1.922 -6.798 189 H TYR 32 H TYR 32 -8.893 0.497 -8.486 190 HA TYR 32 HA TYR 32 -7.323 -0.028 -10.987 191 1HB TYR 32 2HB TYR 32 -7.226 2.288 -9.026 192 2HB TYR 32 1HB TYR 32 -6.131 2.085 -10.394 193 HD1 TYR 32 HD1 TYR 32 -9.807 2.128 -9.627 194 HD2 TYR 32 HD2 TYR 32 -6.691 3.061 -12.431 195 HE1 TYR 32 HE1 TYR 32 -11.474 3.186 -11.129 196 HE2 TYR 32 HE2 TYR 32 -8.357 4.118 -13.932 197 HH TYR 32 HH TYR 32 -10.505 4.552 -14.277 198 H ILE 33 H ILE 33 -5.727 -1.496 -10.563 199 HA ILE 33 HA ILE 33 -4.907 -1.964 -7.749 200 HB ILE 33 HB ILE 33 -5.547 -3.818 -9.264 201 1HG1 ILE 33 2HG1 ILE 33 -2.580 -4.091 -8.884 202 2HG1 ILE 33 1HG1 ILE 33 -3.607 -3.882 -7.466 203 1HG2 ILE 33 1HG2 ILE 33 -4.812 -3.898 -11.394 204 2HG2 ILE 33 2HG2 ILE 33 -3.131 -3.831 -10.864 205 3HG2 ILE 33 3HG2 ILE 33 -4.033 -2.338 -11.125 206 1HD1 ILE 33 1HD1 ILE 33 -5.008 -5.799 -8.263 207 2HD1 ILE 33 2HD1 ILE 33 -3.347 -6.262 -7.894 208 3HD1 ILE 33 3HD1 ILE 33 -3.852 -6.051 -9.569 209 H ALA 34 H ALA 34 -2.693 -1.853 -7.100 210 HA ALA 34 HA ALA 34 -0.593 -0.982 -8.923 211 1HB ALA 34 1HB ALA 34 -2.380 0.923 -7.726 212 2HB ALA 34 2HB ALA 34 -1.011 1.233 -8.793 213 3HB ALA 34 3HB ALA 34 -0.768 1.154 -7.049 214 H GLN 35 H GLN 35 1.396 -1.435 -7.971 215 HA GLN 35 HA GLN 35 1.345 -2.517 -5.211 216 1HB GLN 35 2HB GLN 35 3.481 -3.456 -5.850 217 2HB GLN 35 1HB GLN 35 2.376 -3.670 -7.209 218 1HG GLN 35 2HG GLN 35 3.306 -1.409 -8.063 219 2HG GLN 35 1HG GLN 35 4.617 -1.675 -6.910 220 1HE2 GLN 35 1HE2 GLN 35 5.401 -4.181 -7.062 221 2HE2 GLN 35 2HE2 GLN 35 5.707 -4.705 -8.643 222 H CYS 36 H CYS 36 2.805 -1.715 -3.581 223 HA CYS 36 HA CYS 36 4.170 0.875 -4.178 224 1HB CYS 36 2HB CYS 36 2.240 0.387 -1.894 225 2HB CYS 36 1HB CYS 36 3.056 1.903 -2.265 226 H ALA 37 H ALA 37 5.279 1.571 -1.948 227 HA ALA 37 HA ALA 37 6.229 -0.727 -0.347 228 1HB ALA 37 1HB ALA 37 7.924 0.900 -2.265 229 2HB ALA 37 2HB ALA 37 7.673 -0.846 -2.277 230 3HB ALA 37 3HB ALA 37 8.616 -0.100 -0.988 231 HA PRO 38 HA PRO 38 6.253 2.566 2.585 232 1HB PRO 38 2HB PRO 38 7.848 1.423 4.501 233 2HB PRO 38 1HB PRO 38 6.152 0.966 4.243 234 1HG PRO 38 2HG PRO 38 8.637 -0.390 3.303 235 2HG PRO 38 1HG PRO 38 7.144 -1.094 3.947 236 1HD PRO 38 2HD PRO 38 7.697 -1.036 1.293 237 2HD PRO 38 1HD PRO 38 6.039 -0.941 1.929 238 H VAL 39 H VAL 39 7.925 3.958 3.778 239 HA VAL 39 HA VAL 39 10.702 3.832 2.919 240 HB VAL 39 HB VAL 39 9.618 4.545 0.839 241 1HG1 VAL 39 1HG1 VAL 39 8.337 6.572 2.670 242 2HG1 VAL 39 2HG1 VAL 39 7.564 5.485 1.521 243 3HG1 VAL 39 3HG1 VAL 39 8.479 6.874 0.939 244 1HG2 VAL 39 1HG2 VAL 39 10.838 6.633 0.466 245 2HG2 VAL 39 2HG2 VAL 39 11.815 5.562 1.469 246 3HG2 VAL 39 3HG2 VAL 39 10.950 6.910 2.202 247 H GLY 40 H GLY 40 10.274 3.960 5.430 248 1HA GLY 40 2HA GLY 40 11.010 5.330 7.249 249 2HA GLY 40 1HA GLY 40 10.830 6.749 6.218 250 H GLY 41 H GLY 41 8.206 4.467 6.372 251 1HA GLY 41 2HA GLY 41 6.420 4.650 8.131 252 2HA GLY 41 1HA GLY 41 6.723 6.388 8.120 253 H GLN 42 H GLN 42 6.896 6.831 5.350 254 HA GLN 42 HA GLN 42 4.048 6.747 4.641 255 1HB GLN 42 2HB GLN 42 5.903 8.590 4.318 256 2HB GLN 42 1HB GLN 42 6.270 7.682 2.850 257 1HG GLN 42 2HG GLN 42 4.354 8.336 1.816 258 2HG GLN 42 1HG GLN 42 3.397 8.182 3.290 259 1HE2 GLN 42 1HE2 GLN 42 5.289 10.413 1.342 260 2HE2 GLN 42 2HE2 GLN 42 4.963 11.797 2.271 261 H ASP 43 H ASP 43 4.021 6.417 1.933 262 HA ASP 43 HA ASP 43 5.390 3.854 1.308 263 1HB ASP 43 2HB ASP 43 2.819 3.991 2.361 264 2HB ASP 43 1HB ASP 43 2.544 3.835 0.625 265 H ALA 44 H ALA 44 6.413 4.519 -0.572 266 HA ALA 44 HA ALA 44 5.129 6.379 -2.444 267 1HB ALA 44 1HB ALA 44 7.632 6.070 -1.772 268 2HB ALA 44 2HB ALA 44 7.260 6.373 -3.467 269 3HB ALA 44 3HB ALA 44 7.613 4.733 -2.919 270 H CYS 45 H CYS 45 3.671 5.646 -3.955 271 HA CYS 45 HA CYS 45 3.539 2.762 -4.587 272 1HB CYS 45 2HB CYS 45 1.862 5.210 -5.017 273 2HB CYS 45 1HB CYS 45 1.521 3.745 -5.934 274 H ASN 46 H ASN 46 3.535 1.996 -6.776 275 HA ASN 46 HA ASN 46 5.528 3.214 -8.494 276 1HB ASN 46 2HB ASN 46 5.371 1.162 -9.650 277 2HB ASN 46 1HB ASN 46 4.931 0.725 -8.003 278 1HD2 ASN 46 1HD2 ASN 46 2.220 1.550 -7.893 279 2HD2 ASN 46 2HD2 ASN 46 1.322 0.683 -9.031 280 HA PRO 47 HA PRO 47 2.350 5.511 -10.663 281 1HB PRO 47 2HB PRO 47 4.040 7.377 -11.703 282 2HB PRO 47 1HB PRO 47 3.474 7.421 -10.025 283 1HG PRO 47 2HG PRO 47 6.123 6.714 -11.080 284 2HG PRO 47 1HG PRO 47 5.664 7.285 -9.471 285 1HD PRO 47 2HD PRO 47 6.233 4.604 -10.266 286 2HD PRO 47 1HD PRO 47 5.683 5.171 -8.676 287 H ALA 48 H ALA 48 5.266 4.069 -11.991 288 HA ALA 48 HA ALA 48 4.409 4.515 -14.785 289 1HB ALA 48 1HB ALA 48 6.751 3.041 -13.566 290 2HB ALA 48 2HB ALA 48 6.755 4.733 -14.065 291 3HB ALA 48 3HB ALA 48 6.574 3.459 -15.270 292 H THR 49 H THR 49 3.328 2.378 -12.550 293 HA THR 49 HA THR 49 2.795 0.329 -14.640 294 HB THR 49 HB THR 49 3.352 -1.180 -12.427 295 HG1 THR 49 HG1 THR 49 5.478 0.628 -12.628 296 1HG2 THR 49 1HG2 THR 49 4.044 -1.418 -14.876 297 2HG2 THR 49 2HG2 THR 49 5.210 -1.971 -13.674 298 3HG2 THR 49 3HG2 THR 49 5.430 -0.409 -14.464 299 H ALA 50 H ALA 50 0.606 1.278 -14.447 300 HA ALA 50 HA ALA 50 -0.875 0.086 -12.136 301 1HB ALA 50 1HB ALA 50 -2.056 2.206 -11.830 302 2HB ALA 50 2HB ALA 50 -1.193 2.908 -13.198 303 3HB ALA 50 3HB ALA 50 -0.318 2.487 -11.726 304 H THR 51 H THR 51 -2.896 -0.738 -12.724 305 HA THR 51 HA THR 51 -3.903 -0.126 -15.479 306 HB THR 51 HB THR 51 -2.597 -2.224 -15.470 307 HG1 THR 51 HG1 THR 51 -4.664 -3.603 -15.842 308 1HG2 THR 51 1HG2 THR 51 -4.541 -2.982 -13.280 309 2HG2 THR 51 2HG2 THR 51 -2.788 -2.860 -13.151 310 3HG2 THR 51 3HG2 THR 51 -3.513 -4.143 -14.119 311 H SER 52 H SER 52 -6.242 -0.732 -15.716 312 HA SER 52 HA SER 52 -7.695 -0.613 -13.087 313 1HB SER 52 2HB SER 52 -7.579 1.300 -14.996 314 2HB SER 52 1HB SER 52 -8.952 0.374 -15.596 315 HG SER 52 HG SER 52 -10.093 1.140 -14.012 316 H PHE 53 H PHE 53 -9.424 -2.031 -12.828 317 HA PHE 53 HA PHE 53 -10.253 -3.711 -15.148 318 1HB PHE 53 2HB PHE 53 -9.839 -5.717 -13.883 319 2HB PHE 53 1HB PHE 53 -8.382 -4.731 -13.753 320 HD1 PHE 53 HD1 PHE 53 -7.929 -3.424 -11.685 321 HD2 PHE 53 HD2 PHE 53 -11.230 -6.158 -11.967 322 HE1 PHE 53 HE1 PHE 53 -8.152 -3.409 -9.215 323 HE2 PHE 53 HE2 PHE 53 -11.452 -6.144 -9.496 324 HZ PHE 53 HZ PHE 53 -9.913 -4.769 -8.121 325 H THR 54 H THR 54 -12.454 -4.206 -15.080 326 HA THR 54 HA THR 54 -14.026 -3.009 -12.850 327 HB THR 54 HB THR 54 -14.838 -4.142 -15.545 328 HG1 THR 54 HG1 THR 54 -14.580 -2.151 -16.304 329 1HG2 THR 54 1HG2 THR 54 -16.446 -2.095 -14.114 330 2HG2 THR 54 2HG2 THR 54 -16.476 -3.727 -13.446 331 3HG2 THR 54 3HG2 THR 54 -16.977 -3.448 -15.114 332 H THR 55 H THR 55 -15.565 -4.266 -11.675 333 HA THR 55 HA THR 55 -14.886 -7.082 -11.320 334 HB THR 55 HB THR 55 -17.043 -6.826 -9.835 335 HG1 THR 55 HG1 THR 55 -17.984 -5.001 -10.230 336 1HG2 THR 55 1HG2 THR 55 -14.355 -5.548 -9.523 337 2HG2 THR 55 2HG2 THR 55 -15.069 -6.891 -8.631 338 3HG2 THR 55 3HG2 THR 55 -15.586 -5.241 -8.302 339 H ASP 56 H ASP 56 -16.889 -8.644 -11.205 340 HA ASP 56 HA ASP 56 -18.261 -8.476 -13.855 341 1HB ASP 56 2HB ASP 56 -16.917 -10.501 -12.314 342 2HB ASP 56 1HB ASP 56 -18.587 -10.996 -12.575 343 H ALA 57 H ALA 57 -20.418 -10.129 -13.386 344 HA ALA 57 HA ALA 57 -22.287 -8.426 -12.067 345 1HB ALA 57 1HB ALA 57 -23.456 -10.900 -12.095 346 2HB ALA 57 2HB ALA 57 -22.170 -11.112 -13.284 347 3HB ALA 57 3HB ALA 57 -23.370 -9.837 -13.499 348 H SER 58 H SER 58 -20.306 -11.088 -10.906 349 HA SER 58 HA SER 58 -21.686 -11.098 -8.277 350 1HB SER 58 2HB SER 58 -19.897 -12.955 -7.952 351 2HB SER 58 1HB SER 58 -21.187 -13.257 -9.114 352 HG SER 58 HG SER 58 -18.772 -12.015 -9.883 353 H GLY 59 H GLY 59 -19.923 -8.839 -9.370 354 1HA GLY 59 2HA GLY 59 -18.276 -7.384 -8.534 355 2HA GLY 59 1HA GLY 59 -18.689 -8.042 -6.952 356 H ALA 60 H ALA 60 -17.504 -10.131 -9.495 357 HA ALA 60 HA ALA 60 -14.975 -10.482 -7.920 358 1HB ALA 60 1HB ALA 60 -15.603 -12.648 -7.940 359 2HB ALA 60 2HB ALA 60 -15.474 -12.647 -9.698 360 3HB ALA 60 3HB ALA 60 -17.008 -12.246 -8.926 361 H ALA 61 H ALA 61 -12.998 -10.461 -9.069 362 HA ALA 61 HA ALA 61 -13.149 -10.045 -12.026 363 1HB ALA 61 1HB ALA 61 -12.712 -8.072 -10.040 364 2HB ALA 61 2HB ALA 61 -12.556 -7.884 -11.786 365 3HB ALA 61 3HB ALA 61 -11.155 -8.350 -10.820 366 H SER 62 H SER 62 -11.085 -10.444 -13.101 367 HA SER 62 HA SER 62 -8.883 -11.638 -11.544 368 1HB SER 62 2HB SER 62 -10.450 -13.233 -13.586 369 2HB SER 62 1HB SER 62 -9.105 -13.816 -12.610 370 HG SER 62 HG SER 62 -11.392 -14.226 -11.894 371 H PHE 63 H PHE 63 -7.041 -10.957 -12.556 372 HA PHE 63 HA PHE 63 -6.837 -10.987 -15.490 373 1HB PHE 63 2HB PHE 63 -6.383 -8.539 -15.580 374 2HB PHE 63 1HB PHE 63 -8.016 -8.878 -15.000 375 HD1 PHE 63 HD1 PHE 63 -4.534 -8.346 -13.743 376 HD2 PHE 63 HD2 PHE 63 -8.740 -7.950 -12.971 377 HE1 PHE 63 HE1 PHE 63 -4.032 -7.147 -11.633 378 HE2 PHE 63 HE2 PHE 63 -8.233 -6.750 -10.859 379 HZ PHE 63 HZ PHE 63 -5.879 -6.353 -10.191 380 H SER 64 H SER 64 -4.596 -10.614 -16.182 381 HA SER 64 HA SER 64 -2.639 -11.384 -14.111 382 1HB SER 64 2HB SER 64 -1.843 -10.777 -16.904 383 2HB SER 64 1HB SER 64 -1.449 -12.172 -15.908 384 HG SER 64 HG SER 64 -3.024 -13.160 -16.862 385 H PHE 65 H PHE 65 -1.254 -9.952 -13.173 386 HA PHE 65 HA PHE 65 -1.062 -7.199 -14.310 387 1HB PHE 65 2HB PHE 65 -2.287 -7.231 -12.247 388 2HB PHE 65 1HB PHE 65 -1.098 -8.289 -11.492 389 HD1 PHE 65 HD1 PHE 65 -0.733 -5.202 -13.579 390 HD2 PHE 65 HD2 PHE 65 -0.028 -7.109 -9.798 391 HE1 PHE 65 HE1 PHE 65 0.552 -3.225 -12.825 392 HE2 PHE 65 HE2 PHE 65 1.257 -5.134 -9.040 393 HZ PHE 65 HZ PHE 65 1.553 -3.190 -10.551 394 H VAL 66 H VAL 66 1.044 -6.245 -14.325 395 HA VAL 66 HA VAL 66 3.279 -8.200 -14.071 396 HB VAL 66 HB VAL 66 3.263 -5.385 -15.179 397 1HG1 VAL 66 1HG1 VAL 66 5.176 -6.366 -16.533 398 2HG1 VAL 66 2HG1 VAL 66 5.099 -7.773 -15.473 399 3HG1 VAL 66 3HG1 VAL 66 5.492 -6.188 -14.808 400 1HG2 VAL 66 1HG2 VAL 66 2.762 -8.012 -16.614 401 2HG2 VAL 66 2HG2 VAL 66 2.918 -6.437 -17.391 402 3HG2 VAL 66 3HG2 VAL 66 1.554 -6.762 -16.321 403 H VAL 67 H VAL 67 5.293 -7.417 -13.013 404 HA VAL 67 HA VAL 67 4.804 -5.325 -10.928 405 HB VAL 67 HB VAL 67 6.059 -6.899 -9.375 406 1HG1 VAL 67 1HG1 VAL 67 3.483 -7.987 -10.549 407 2HG1 VAL 67 2HG1 VAL 67 3.570 -6.654 -9.398 408 3HG1 VAL 67 3HG1 VAL 67 4.097 -8.268 -8.920 409 1HG2 VAL 67 1HG2 VAL 67 5.353 -9.270 -10.899 410 2HG2 VAL 67 2HG2 VAL 67 6.897 -8.841 -10.165 411 3HG2 VAL 67 3HG2 VAL 67 6.503 -8.270 -11.786 412 H ARG 68 H ARG 68 7.116 -5.031 -9.768 413 HA ARG 68 HA ARG 68 9.421 -5.292 -11.541 414 1HB ARG 68 2HB ARG 68 7.645 -3.040 -11.690 415 2HB ARG 68 1HB ARG 68 9.200 -2.493 -11.063 416 1HG ARG 68 2HG ARG 68 10.304 -2.966 -13.008 417 2HG ARG 68 1HG ARG 68 9.320 -4.393 -13.336 418 1HD ARG 68 2HD ARG 68 7.393 -2.743 -13.817 419 2HD ARG 68 1HD ARG 68 8.661 -1.502 -13.903 420 HE ARG 68 HE ARG 68 8.838 -4.001 -15.536 421 1HH1 ARG 68 1HH2 ARG 68 10.666 -1.380 -15.167 422 2HH1 ARG 68 2HH2 ARG 68 10.462 -0.714 -16.752 423 1HH2 ARG 68 1HH1 ARG 68 7.827 -2.811 -17.581 424 2HH2 ARG 68 2HH1 ARG 68 8.854 -1.525 -18.120 425 H LYS 69 H LYS 69 10.326 -6.264 -9.675 426 HA LYS 69 HA LYS 69 10.361 -5.569 -7.040 427 1HB LYS 69 2HB LYS 69 12.435 -6.696 -6.952 428 2HB LYS 69 1HB LYS 69 11.569 -7.376 -8.331 429 1HG LYS 69 2HG LYS 69 12.768 -5.654 -9.762 430 2HG LYS 69 1HG LYS 69 13.799 -5.352 -8.361 431 1HD LYS 69 2HD LYS 69 13.904 -8.025 -8.384 432 2HD LYS 69 1HD LYS 69 13.631 -7.747 -10.102 433 1HE LYS 69 2HE LYS 69 15.535 -5.967 -9.874 434 2HE LYS 69 1HE LYS 69 15.947 -6.863 -8.400 435 1HZ LYS 69 1HZ LYS 69 16.990 -8.258 -9.791 436 2HZ LYS 69 2HZ LYS 69 16.176 -7.676 -11.162 437 3HZ LYS 69 3HZ LYS 69 15.442 -8.839 -10.164 438 H SER 70 H SER 70 11.773 -3.607 -9.591 439 HA SER 70 HA SER 70 12.687 -1.694 -7.468 440 1HB SER 70 2HB SER 70 14.069 -2.313 -10.087 441 2HB SER 70 1HB SER 70 14.680 -1.287 -8.792 442 HG SER 70 HG SER 70 15.274 -3.703 -9.010 443 H TYR 71 H TYR 71 11.968 0.390 -7.781 444 HA TYR 71 HA TYR 71 11.512 1.572 -10.382 445 1HB TYR 71 2HB TYR 71 9.096 1.499 -10.421 446 2HB TYR 71 1HB TYR 71 9.666 -0.151 -10.173 447 HD1 TYR 71 HD1 TYR 71 7.763 2.606 -8.785 448 HD2 TYR 71 HD2 TYR 71 9.697 -1.110 -7.824 449 HE1 TYR 71 HE1 TYR 71 6.470 2.479 -6.673 450 HE2 TYR 71 HE2 TYR 71 8.403 -1.235 -5.710 451 HH TYR 71 HH TYR 71 6.349 1.431 -4.649 452 H THR 72 H THR 72 10.607 3.791 -10.158 453 HA THR 72 HA THR 72 11.415 5.024 -7.629 454 HB THR 72 HB THR 72 9.969 6.536 -9.731 455 HG1 THR 72 HG1 THR 72 11.185 5.882 -11.290 456 1HG2 THR 72 1HG2 THR 72 12.740 7.180 -8.953 457 2HG2 THR 72 2HG2 THR 72 11.576 7.187 -7.627 458 3HG2 THR 72 3HG2 THR 72 11.321 8.224 -9.032 459 H GLY 73 H GLY 73 10.044 5.321 -5.937 460 1HA GLY 73 2HA GLY 73 7.175 4.823 -6.281 461 2HA GLY 73 1HA GLY 73 7.995 5.164 -4.759 462 H SER 74 H SER 74 5.550 6.393 -5.664 463 HA SER 74 HA SER 74 6.266 9.196 -5.254 464 1HB SER 74 2HB SER 74 5.164 8.211 -7.902 465 2HB SER 74 1HB SER 74 5.299 9.907 -7.451 466 HG SER 74 HG SER 74 7.532 9.637 -7.304 467 H THR 75 H THR 75 4.662 9.788 -3.850 468 HA THR 75 HA THR 75 2.339 8.480 -3.163 469 HB THR 75 HB THR 75 1.504 10.857 -2.646 470 HG1 THR 75 HG1 THR 75 3.960 11.905 -3.100 471 1HG2 THR 75 1HG2 THR 75 4.011 9.536 -1.738 472 2HG2 THR 75 2HG2 THR 75 2.575 9.980 -0.815 473 3HG2 THR 75 3HG2 THR 75 3.770 11.208 -1.231 474 HA PRO 76 HA PRO 76 -0.090 8.561 -6.874 475 1HB PRO 76 2HB PRO 76 -2.417 7.648 -5.760 476 2HB PRO 76 1HB PRO 76 -1.039 6.594 -6.137 477 1HG PRO 76 2HG PRO 76 -1.848 7.785 -3.523 478 2HG PRO 76 1HG PRO 76 -1.247 6.157 -3.884 479 1HD PRO 76 2HD PRO 76 0.332 8.085 -2.830 480 2HD PRO 76 1HD PRO 76 0.955 6.827 -3.923 481 H GLU 77 H GLU 77 -0.545 10.500 -4.089 482 HA GLU 77 HA GLU 77 -2.397 12.279 -5.620 483 1HB GLU 77 2HB GLU 77 -2.771 10.990 -2.933 484 2HB GLU 77 1HB GLU 77 -3.546 12.535 -3.286 485 1HG GLU 77 2HG GLU 77 -4.652 11.574 -5.239 486 2HG GLU 77 1HG GLU 77 -3.827 10.037 -4.973 487 H GLY 78 H GLY 78 0.467 12.571 -5.036 488 1HA GLY 78 2HA GLY 78 0.300 15.177 -3.658 489 2HA GLY 78 1HA GLY 78 1.363 13.979 -2.918 490 H THR 79 H THR 79 3.409 13.849 -3.678 491 HA THR 79 HA THR 79 4.011 14.848 -6.421 492 HB THR 79 HB THR 79 4.266 16.375 -4.131 493 HG1 THR 79 HG1 THR 79 5.670 17.646 -5.455 494 1HG2 THR 79 1HG2 THR 79 6.048 15.045 -3.173 495 2HG2 THR 79 2HG2 THR 79 6.741 16.563 -3.741 496 3HG2 THR 79 3HG2 THR 79 6.957 15.091 -4.682 497 HA PRO 80 HA PRO 80 6.979 11.594 -6.558 498 1HB PRO 80 2HB PRO 80 9.410 12.721 -7.140 499 2HB PRO 80 1HB PRO 80 8.100 12.561 -8.328 500 1HG PRO 80 2HG PRO 80 8.926 14.938 -6.732 501 2HG PRO 80 1HG PRO 80 8.402 14.839 -8.421 502 1HD PRO 80 2HD PRO 80 6.775 15.673 -6.424 503 2HD PRO 80 1HD PRO 80 6.168 14.845 -7.871 504 H VAL 81 H VAL 81 7.555 10.498 -4.737 505 HA VAL 81 HA VAL 81 8.672 11.850 -2.397 506 HB VAL 81 HB VAL 81 8.070 8.972 -3.074 507 1HG1 VAL 81 1HG1 VAL 81 9.762 9.496 -1.176 508 2HG1 VAL 81 2HG1 VAL 81 8.415 8.416 -0.816 509 3HG1 VAL 81 3HG1 VAL 81 8.354 10.102 -0.302 510 1HG2 VAL 81 1HG2 VAL 81 6.167 10.680 -3.028 511 2HG2 VAL 81 2HG2 VAL 81 6.511 10.867 -1.309 512 3HG2 VAL 81 3HG2 VAL 81 5.993 9.303 -1.939 513 H GLY 82 H GLY 82 9.817 8.762 -3.693 514 1HA GLY 82 2HA GLY 82 12.455 9.796 -4.381 515 2HA GLY 82 1HA GLY 82 12.446 8.881 -2.872 516 H SER 83 H SER 83 13.944 7.493 -4.290 517 HA SER 83 HA SER 83 12.597 5.825 -6.317 518 1HB SER 83 2HB SER 83 14.807 5.053 -6.739 519 2HB SER 83 1HB SER 83 15.008 6.748 -6.304 520 HG SER 83 HG SER 83 16.364 5.878 -4.919 521 H VAL 84 H VAL 84 12.656 3.420 -6.106 522 HA VAL 84 HA VAL 84 12.666 2.453 -3.272 523 HB VAL 84 HB VAL 84 10.498 2.383 -5.359 524 1HG1 VAL 84 1HG1 VAL 84 10.911 0.016 -4.759 525 2HG1 VAL 84 2HG1 VAL 84 9.372 0.578 -4.106 526 3HG1 VAL 84 3HG1 VAL 84 10.776 0.430 -3.051 527 1HG2 VAL 84 1HG2 VAL 84 9.964 4.009 -3.816 528 2HG2 VAL 84 2HG2 VAL 84 10.864 3.222 -2.520 529 3HG2 VAL 84 3HG2 VAL 84 9.273 2.617 -2.981 530 H ASP 85 H ASP 85 13.043 0.133 -3.113 531 HA ASP 85 HA ASP 85 13.836 -1.272 -5.609 532 1HB ASP 85 2HB ASP 85 16.036 -1.821 -4.460 533 2HB ASP 85 1HB ASP 85 15.849 -0.133 -4.932 534 H CYS 86 H CYS 86 11.834 -2.457 -4.847 535 HA CYS 86 HA CYS 86 11.693 -3.877 -2.381 536 1HB CYS 86 2HB CYS 86 10.573 -4.471 -5.138 537 2HB CYS 86 1HB CYS 86 10.013 -5.226 -3.649 538 H ALA 87 H ALA 87 13.869 -4.338 -4.968 539 HA ALA 87 HA ALA 87 14.158 -7.114 -5.256 540 1HB ALA 87 1HB ALA 87 16.022 -4.750 -5.244 541 2HB ALA 87 2HB ALA 87 15.498 -5.735 -6.609 542 3HB ALA 87 3HB ALA 87 16.673 -6.374 -5.461 543 H THR 88 H THR 88 15.133 -4.998 -2.641 544 HA THR 88 HA THR 88 15.791 -7.394 -0.976 545 HB THR 88 HB THR 88 17.848 -6.334 -1.851 546 HG1 THR 88 HG1 THR 88 17.824 -5.402 0.754 547 1HG2 THR 88 1HG2 THR 88 16.430 -4.010 -1.752 548 2HG2 THR 88 2HG2 THR 88 18.186 -4.084 -1.887 549 3HG2 THR 88 3HG2 THR 88 17.432 -3.848 -0.311 550 H ALA 89 H ALA 89 13.866 -4.717 -1.383 551 HA ALA 89 HA ALA 89 13.668 -4.110 1.526 552 1HB ALA 89 1HB ALA 89 12.257 -2.183 0.479 553 2HB ALA 89 2HB ALA 89 12.978 -2.703 -1.045 554 3HB ALA 89 3HB ALA 89 14.007 -2.142 0.274 555 H ALA 90 H ALA 90 11.281 -3.566 2.144 556 HA ALA 90 HA ALA 90 9.659 -5.933 1.561 557 1HB ALA 90 1HB ALA 90 9.885 -4.859 3.796 558 2HB ALA 90 2HB ALA 90 8.204 -4.934 3.270 559 3HB ALA 90 3HB ALA 90 9.095 -3.416 3.160 560 H CYS 91 H CYS 91 8.055 -6.029 0.033 561 HA CYS 91 HA CYS 91 7.046 -3.450 -1.133 562 1HB CYS 91 2HB CYS 91 8.659 -5.310 -2.342 563 2HB CYS 91 1HB CYS 91 7.059 -5.890 -2.809 564 H ASN 92 H ASN 92 4.794 -3.546 -1.844 565 HA ASN 92 HA ASN 92 3.257 -5.969 -1.066 566 1HB ASN 92 2HB ASN 92 2.741 -3.174 -0.010 567 2HB ASN 92 1HB ASN 92 1.792 -4.613 0.366 568 1HD2 ASN 92 1HD2 ASN 92 3.513 -6.556 1.024 569 2HD2 ASN 92 2HD2 ASN 92 4.590 -6.087 2.250 570 H LEU 93 H LEU 93 0.768 -5.335 -1.503 571 HA LEU 93 HA LEU 93 0.527 -3.644 -3.942 572 1HB LEU 93 2HB LEU 93 1.061 -5.856 -4.761 573 2HB LEU 93 1HB LEU 93 -0.097 -6.597 -3.658 574 HG LEU 93 HG LEU 93 -1.934 -5.387 -4.827 575 1HD1 LEU 93 1HD1 LEU 93 -1.104 -4.583 -7.211 576 2HD1 LEU 93 2HD1 LEU 93 0.423 -4.351 -6.360 577 3HD1 LEU 93 3HD1 LEU 93 -1.024 -3.497 -5.825 578 1HD2 LEU 93 1HD2 LEU 93 -0.191 -7.004 -6.715 579 2HD2 LEU 93 2HD2 LEU 93 -1.943 -6.823 -6.789 580 3HD2 LEU 93 3HD2 LEU 93 -1.205 -7.715 -5.459 581 H GLY 94 H GLY 94 -1.612 -2.812 -4.201 582 1HA GLY 94 2HA GLY 94 -3.756 -3.809 -2.435 583 2HA GLY 94 1HA GLY 94 -3.224 -2.154 -2.130 584 H ALA 95 H ALA 95 -5.863 -2.901 -3.024 585 HA ALA 95 HA ALA 95 -5.868 -1.592 -5.731 586 1HB ALA 95 1HB ALA 95 -6.732 -3.575 -6.406 587 2HB ALA 95 2HB ALA 95 -8.182 -3.135 -5.505 588 3HB ALA 95 3HB ALA 95 -6.937 -4.124 -4.743 589 H GLY 96 H GLY 96 -8.246 -0.725 -6.144 590 1HA GLY 96 2HA GLY 96 -10.182 -0.084 -4.354 591 2HA GLY 96 1HA GLY 96 -8.897 1.020 -3.864 592 H ASN 97 H ASN 97 -11.471 1.784 -4.984 593 HA ASN 97 HA ASN 97 -10.603 2.975 -7.586 594 1HB ASN 97 2HB ASN 97 -12.457 1.406 -7.789 595 2HB ASN 97 1HB ASN 97 -13.326 2.226 -6.491 596 1HD2 ASN 97 1HD2 ASN 97 -15.018 3.388 -7.422 597 2HD2 ASN 97 2HD2 ASN 97 -14.892 4.333 -8.826 598 H SER 98 H SER 98 -11.873 3.578 -4.387 599 HA SER 98 HA SER 98 -11.142 6.304 -4.272 600 1HB SER 98 2HB SER 98 -13.765 6.984 -4.518 601 2HB SER 98 1HB SER 98 -12.615 7.072 -5.847 602 HG SER 98 HG SER 98 -14.273 5.847 -6.591 603 H GLY 99 H GLY 99 -13.924 4.209 -3.441 604 1HA GLY 99 2HA GLY 99 -13.434 4.886 -0.573 605 2HA GLY 99 1HA GLY 99 -15.071 4.927 -1.227 606 H LEU 100 H LEU 100 -12.607 2.560 -2.116 607 HA LEU 100 HA LEU 100 -14.197 0.458 -0.684 608 1HB LEU 100 2HB LEU 100 -14.185 0.916 -3.381 609 2HB LEU 100 1HB LEU 100 -12.870 -0.249 -3.232 610 HG LEU 100 HG LEU 100 -14.869 -1.531 -3.549 611 1HD1 LEU 100 1HD1 LEU 100 -15.046 -2.745 -1.395 612 2HD1 LEU 100 2HD1 LEU 100 -14.198 -1.424 -0.592 613 3HD1 LEU 100 3HD1 LEU 100 -13.366 -2.397 -1.805 614 1HD2 LEU 100 1HD2 LEU 100 -16.565 -0.989 -1.417 615 2HD2 LEU 100 2HD2 LEU 100 -16.804 -0.448 -3.078 616 3HD2 LEU 100 3HD2 LEU 100 -16.015 0.613 -1.911 617 H ASP 101 H ASP 101 -12.811 -0.350 0.863 618 HA ASP 101 HA ASP 101 -9.934 -0.148 0.711 619 1HB ASP 101 2HB ASP 101 -11.749 -1.909 2.391 620 2HB ASP 101 1HB ASP 101 -10.065 -1.525 2.753 621 H LEU 102 H LEU 102 -12.265 -2.594 -0.239 622 HA LEU 102 HA LEU 102 -11.981 -4.712 -1.235 623 1HB LEU 102 2HB LEU 102 -10.450 -2.655 -2.506 624 2HB LEU 102 1HB LEU 102 -9.562 -4.170 -2.635 625 HG LEU 102 HG LEU 102 -12.463 -3.779 -3.398 626 1HD1 LEU 102 1HD1 LEU 102 -10.333 -2.897 -4.808 627 2HD1 LEU 102 2HD1 LEU 102 -11.784 -3.541 -5.579 628 3HD1 LEU 102 3HD1 LEU 102 -10.370 -4.572 -5.358 629 1HD2 LEU 102 1HD2 LEU 102 -11.901 -6.049 -2.534 630 2HD2 LEU 102 2HD2 LEU 102 -10.611 -6.164 -3.730 631 3HD2 LEU 102 3HD2 LEU 102 -12.293 -6.075 -4.253 632 H GLY 103 H GLY 103 -8.493 -4.140 -1.241 633 1HA GLY 103 2HA GLY 103 -7.767 -5.375 1.172 634 2HA GLY 103 1HA GLY 103 -7.956 -6.672 -0.011 635 H HIS 104 H HIS 104 -5.498 -6.589 0.792 636 HA HIS 104 HA HIS 104 -3.998 -5.379 -1.463 637 1HB HIS 104 2HB HIS 104 -2.338 -4.533 0.340 638 2HB HIS 104 1HB HIS 104 -3.838 -3.628 0.135 639 HD1 HIS 104 HD1 HIS 104 -5.429 -3.532 2.109 640 HD2 HIS 104 HD2 HIS 104 -2.356 -6.292 2.675 641 HE1 HIS 104 HE1 HIS 104 -5.590 -4.302 4.518 642 H VAL 105 H VAL 105 -2.404 -6.796 -2.130 643 HA VAL 105 HA VAL 105 -1.887 -9.184 -0.405 644 HB VAL 105 HB VAL 105 -1.708 -8.589 -3.369 645 1HG1 VAL 105 1HG1 VAL 105 -0.698 -10.669 -3.770 646 2HG1 VAL 105 2HG1 VAL 105 -1.095 -11.281 -2.166 647 3HG1 VAL 105 3HG1 VAL 105 0.185 -10.087 -2.363 648 1HG2 VAL 105 1HG2 VAL 105 -3.600 -9.895 -3.561 649 2HG2 VAL 105 2HG2 VAL 105 -3.853 -9.301 -1.919 650 3HG2 VAL 105 3HG2 VAL 105 -3.169 -10.904 -2.180 651 H ALA 106 H ALA 106 0.141 -9.433 0.469 652 HA ALA 106 HA ALA 106 2.201 -7.406 -0.068 653 1HB ALA 106 1HB ALA 106 3.363 -8.712 1.750 654 2HB ALA 106 2HB ALA 106 2.006 -9.837 1.733 655 3HB ALA 106 3HB ALA 106 1.750 -8.155 2.198 656 H LEU 107 H LEU 107 4.126 -7.770 -1.189 657 HA LEU 107 HA LEU 107 4.411 -10.443 -2.535 658 1HB LEU 107 2HB LEU 107 5.595 -7.808 -3.437 659 2HB LEU 107 1HB LEU 107 5.258 -9.240 -4.406 660 HG LEU 107 HG LEU 107 3.128 -7.546 -3.080 661 1HD1 LEU 107 1HD1 LEU 107 3.967 -7.651 -5.996 662 2HD1 LEU 107 2HD1 LEU 107 4.376 -6.343 -4.884 663 3HD1 LEU 107 3HD1 LEU 107 2.691 -6.646 -5.307 664 1HD2 LEU 107 1HD2 LEU 107 3.067 -9.854 -5.051 665 2HD2 LEU 107 2HD2 LEU 107 1.670 -8.831 -4.711 666 3HD2 LEU 107 3HD2 LEU 107 2.374 -9.815 -3.428 667 H THR 108 H THR 108 6.825 -10.856 -3.115 668 HA THR 108 HA THR 108 8.764 -9.656 -1.243 669 HB THR 108 HB THR 108 8.340 -12.624 -1.190 670 HG1 THR 108 HG1 THR 108 6.952 -12.300 0.561 671 1HG2 THR 108 1HG2 THR 108 9.759 -10.559 0.421 672 2HG2 THR 108 2HG2 THR 108 10.281 -12.180 -0.036 673 3HG2 THR 108 3HG2 THR 108 9.117 -11.965 1.271 674 H PHE 109 H PHE 109 10.575 -9.374 -2.470 675 HA PHE 109 HA PHE 109 11.036 -11.175 -4.801 676 1HB PHE 109 2HB PHE 109 11.972 -8.428 -3.950 677 2HB PHE 109 1HB PHE 109 12.738 -9.285 -5.287 678 HD1 PHE 109 HD1 PHE 109 11.522 -9.739 -7.366 679 HD2 PHE 109 HD2 PHE 109 9.665 -7.636 -4.112 680 HE1 PHE 109 HE1 PHE 109 9.693 -9.013 -8.882 681 HE2 PHE 109 HE2 PHE 109 7.836 -6.910 -5.625 682 HZ PHE 109 HZ PHE 109 7.845 -7.598 -8.010 683 H GLY 110 H GLY 110 11.772 -12.886 -3.167 684 1HA GLY 110 2HA GLY 110 13.507 -14.082 -2.132 685 2HA GLY 110 1HA GLY 110 14.603 -13.100 -3.108 686 2H2' ROM 111 2H2' ROM 111 -8.814 4.950 -7.919 687 2H3' ROM 111 2H3' ROM 111 -7.735 5.136 -9.604 688 H'1 ROM 111 H'1 ROM 111 -3.735 4.187 -8.851 689 3H18 ROM 111 3H18 ROM 111 -5.019 1.430 0.705 690 2H18 ROM 111 2H18 ROM 111 -6.526 2.200 0.567 691 2H23 ROM 111 2H23 ROM 111 -6.110 7.610 -2.249 692 H1' ROM 111 H1' ROM 111 -7.989 7.009 -7.971 693 H2' ROM 111 H2' ROM 111 -10.755 6.578 -9.076 694 H3' ROM 111 H3' ROM 111 -9.609 5.770 -11.052 695 H4' ROM 111 H4' ROM 111 -10.030 8.136 -10.993 696 1H6B ROM 111 1H6B ROM 111 -7.737 10.440 -10.904 697 3H6B ROM 111 3H6B ROM 111 -9.484 10.361 -10.685 698 2H6B ROM 111 2H6B ROM 111 -8.451 10.882 -9.353 699 1H6A ROM 111 1H6A ROM 111 -6.650 8.855 -8.491 700 3H6A ROM 111 3H6A ROM 111 -6.745 7.416 -9.490 701 2H6A ROM 111 2H6A ROM 111 -6.312 8.954 -10.214 702 1H4B ROM 111 1H4B ROM 111 -7.976 9.937 -12.705 703 3H4B ROM 111 3H4B ROM 111 -8.922 9.014 -13.887 704 2H4B ROM 111 2H4B ROM 111 -9.677 9.562 -12.379 705 1H4A ROM 111 1H4A ROM 111 -6.477 8.814 -12.027 706 3H4A ROM 111 3H4A ROM 111 -6.628 7.189 -11.350 707 2H4A ROM 111 2H4A ROM 111 -6.586 7.413 -13.100 708 H'8 ROM 111 H'8 ROM 111 0.460 5.713 -7.578 709 H'6 ROM 111 H'6 ROM 111 -0.231 7.318 -11.474 710 1H3A ROM 111 1H3A ROM 111 -4.031 4.699 -13.872 711 2H3A ROM 111 2H3A ROM 111 -5.180 6.009 -13.249 712 1H7A ROM 111 1H7A ROM 111 2.650 8.261 -8.212 713 3H7A ROM 111 3H7A ROM 111 0.984 8.813 -8.391 714 2H7A ROM 111 2H7A ROM 111 1.333 7.342 -7.485 715 H3 ROM 111 H3 ROM 111 -4.767 6.203 -6.735 716 H6 ROM 111 H6 ROM 111 -7.926 3.203 -4.421 717 H5 ROM 111 H5 ROM 111 -5.706 2.332 -5.128 718 H12 ROM 111 H12 ROM 111 -5.698 8.678 -6.033 719 H8 ROM 111 H8 ROM 111 -9.698 5.323 -5.179 720 H13 ROM 111 H13 ROM 111 -3.793 2.848 -6.949 721 H10 ROM 111 H10 ROM 111 -9.557 8.825 -4.290 722 H11 ROM 111 H11 ROM 111 -7.337 10.152 -4.698 723 2H14 ROM 111 2H14 ROM 111 -2.186 2.549 -5.288 724 1H14 ROM 111 1H14 ROM 111 -2.460 4.153 -4.599 725 2H17 ROM 111 2H17 ROM 111 -4.836 1.394 -2.297 726 1H17 ROM 111 1H17 ROM 111 -3.410 1.657 -1.297 727 H18 ROM 111 H18 ROM 111 -4.462 3.496 -0.149 728 H20 ROM 111 H20 ROM 111 -7.707 2.341 -1.215 729 H24 ROM 111 H24 ROM 111 -4.773 5.385 -1.794 730 4H18 ROM 111 4H18 ROM 111 -6.049 1.052 -0.591 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -19.264 -6.873 0.741 2 2H ALA 1 2H ALA 1 -20.155 -7.705 1.924 3 3H ALA 1 3H ALA 1 -19.889 -8.417 0.405 4 HA ALA 1 HA ALA 1 -17.637 -7.706 2.199 5 1HB ALA 1 1HB ALA 1 -18.593 -10.496 2.081 6 2HB ALA 1 2HB ALA 1 -19.707 -9.378 2.870 7 3HB ALA 1 3HB ALA 1 -18.059 -9.552 3.473 8 HA PRO 2 HA PRO 2 -16.377 -9.289 -1.904 9 1HB PRO 2 2HB PRO 2 -14.632 -7.277 -2.507 10 2HB PRO 2 1HB PRO 2 -16.366 -7.197 -2.869 11 1HG PRO 2 2HG PRO 2 -14.823 -5.823 -0.770 12 2HG PRO 2 1HG PRO 2 -16.339 -5.356 -1.549 13 1HD PRO 2 2HD PRO 2 -16.041 -6.523 1.011 14 2HD PRO 2 1HD PRO 2 -17.560 -6.265 0.126 15 H ALA 3 H ALA 3 -13.864 -9.440 -2.646 16 HA ALA 3 HA ALA 3 -12.062 -9.707 -0.308 17 1HB ALA 3 1HB ALA 3 -13.659 -11.800 -1.107 18 2HB ALA 3 2HB ALA 3 -12.124 -11.986 -0.259 19 3HB ALA 3 3HB ALA 3 -12.181 -12.108 -2.017 20 H PHE 4 H PHE 4 -9.887 -10.737 -1.242 21 HA PHE 4 HA PHE 4 -9.341 -10.097 -4.062 22 1HB PHE 4 2HB PHE 4 -9.336 -7.887 -3.010 23 2HB PHE 4 1HB PHE 4 -8.250 -8.462 -1.744 24 HD1 PHE 4 HD1 PHE 4 -6.166 -7.417 -2.043 25 HD2 PHE 4 HD2 PHE 4 -8.258 -9.002 -5.442 26 HE1 PHE 4 HE1 PHE 4 -4.219 -6.894 -3.490 27 HE2 PHE 4 HE2 PHE 4 -6.318 -8.477 -6.880 28 HZ PHE 4 HZ PHE 4 -4.295 -7.425 -5.911 29 H SER 5 H SER 5 -7.693 -11.491 -4.723 30 HA SER 5 HA SER 5 -5.606 -12.275 -2.745 31 1HB SER 5 2HB SER 5 -7.600 -13.798 -2.526 32 2HB SER 5 1HB SER 5 -7.351 -14.289 -4.199 33 HG SER 5 HG SER 5 -6.242 -15.740 -2.972 34 H VAL 6 H VAL 6 -3.852 -13.512 -3.775 35 HA VAL 6 HA VAL 6 -3.665 -13.150 -6.748 36 HB VAL 6 HB VAL 6 -2.518 -11.395 -5.302 37 1HG1 VAL 6 1HG1 VAL 6 -1.885 -12.920 -3.470 38 2HG1 VAL 6 2HG1 VAL 6 -0.465 -12.112 -4.132 39 3HG1 VAL 6 3HG1 VAL 6 -0.806 -13.786 -4.561 40 1HG2 VAL 6 1HG2 VAL 6 -0.167 -12.547 -6.493 41 2HG2 VAL 6 2HG2 VAL 6 -1.135 -11.190 -7.068 42 3HG2 VAL 6 3HG2 VAL 6 -1.545 -12.833 -7.553 43 H SER 7 H SER 7 -1.919 -14.653 -7.667 44 HA SER 7 HA SER 7 -2.113 -17.287 -6.399 45 1HB SER 7 2HB SER 7 -1.493 -16.139 -8.966 46 2HB SER 7 1HB SER 7 -0.244 -17.296 -8.528 47 HG SER 7 HG SER 7 -3.014 -17.666 -8.875 48 HA PRO 8 HA PRO 8 2.438 -16.692 -5.562 49 1HB PRO 8 2HB PRO 8 3.912 -14.807 -6.867 50 2HB PRO 8 1HB PRO 8 3.504 -16.375 -7.589 51 1HG PRO 8 2HG PRO 8 2.499 -13.716 -8.265 52 2HG PRO 8 1HG PRO 8 2.408 -15.221 -9.189 53 1HD PRO 8 2HD PRO 8 0.359 -13.982 -7.550 54 2HD PRO 8 1HD PRO 8 0.242 -15.396 -8.600 55 H ALA 9 H ALA 9 4.046 -15.087 -4.415 56 HA ALA 9 HA ALA 9 3.247 -12.413 -3.748 57 1HB ALA 9 1HB ALA 9 2.534 -13.261 -1.320 58 2HB ALA 9 2HB ALA 9 2.090 -14.705 -2.224 59 3HB ALA 9 3HB ALA 9 1.363 -13.152 -2.633 60 H SER 10 H SER 10 5.631 -14.159 -4.197 61 HA SER 10 HA SER 10 7.426 -13.002 -2.281 62 1HB SER 10 2HB SER 10 7.551 -14.621 -0.667 63 2HB SER 10 1HB SER 10 5.939 -15.045 -1.233 64 HG SER 10 HG SER 10 6.726 -16.791 -2.128 65 H GLY 11 H GLY 11 9.680 -13.860 -2.633 66 1HA GLY 11 2HA GLY 11 11.359 -14.324 -4.228 67 2HA GLY 11 1HA GLY 11 10.489 -15.851 -4.378 68 H LEU 12 H LEU 12 8.938 -12.829 -5.174 69 HA LEU 12 HA LEU 12 8.140 -13.677 -7.780 70 1HB LEU 12 2HB LEU 12 8.423 -10.917 -6.563 71 2HB LEU 12 1HB LEU 12 7.441 -11.313 -7.974 72 HG LEU 12 HG LEU 12 7.079 -12.460 -5.191 73 1HD1 LEU 12 1HD1 LEU 12 6.391 -9.986 -5.897 74 2HD1 LEU 12 2HD1 LEU 12 5.333 -10.980 -4.896 75 3HD1 LEU 12 3HD1 LEU 12 5.027 -10.833 -6.626 76 1HD2 LEU 12 1HD2 LEU 12 6.067 -14.143 -6.321 77 2HD2 LEU 12 2HD2 LEU 12 6.133 -13.259 -7.846 78 3HD2 LEU 12 3HD2 LEU 12 4.812 -12.967 -6.715 79 H SER 13 H SER 13 8.741 -11.484 -9.442 80 HA SER 13 HA SER 13 11.660 -11.125 -9.582 81 1HB SER 13 2HB SER 13 10.094 -13.015 -11.324 82 2HB SER 13 1HB SER 13 11.561 -12.258 -11.934 83 HG SER 13 HG SER 13 11.298 -14.338 -10.272 84 H ASP 14 H ASP 14 12.217 -9.460 -11.072 85 HA ASP 14 HA ASP 14 10.214 -7.509 -11.674 86 1HB ASP 14 2HB ASP 14 12.719 -7.234 -11.349 87 2HB ASP 14 1HB ASP 14 12.923 -7.877 -12.978 88 H GLY 15 H GLY 15 8.923 -7.267 -13.471 89 1HA GLY 15 2HA GLY 15 8.266 -7.482 -15.751 90 2HA GLY 15 1HA GLY 15 9.590 -8.618 -15.986 91 H GLN 16 H GLN 16 8.677 -10.088 -13.494 92 HA GLN 16 HA GLN 16 7.106 -12.099 -14.776 93 1HB GLN 16 2HB GLN 16 8.524 -12.583 -12.884 94 2HB GLN 16 1HB GLN 16 7.654 -11.422 -11.879 95 1HG GLN 16 2HG GLN 16 5.627 -12.774 -12.003 96 2HG GLN 16 1HG GLN 16 6.413 -13.900 -13.107 97 1HE2 GLN 16 1HE2 GLN 16 5.523 -15.188 -10.955 98 2HE2 GLN 16 2HE2 GLN 16 6.739 -15.484 -9.814 99 H SER 17 H SER 17 4.896 -12.446 -14.839 100 HA SER 17 HA SER 17 3.165 -10.257 -13.756 101 1HB SER 17 2HB SER 17 3.297 -10.749 -16.232 102 2HB SER 17 1HB SER 17 2.612 -12.336 -15.898 103 HG SER 17 HG SER 17 0.759 -11.356 -15.165 104 H VAL 18 H VAL 18 2.109 -10.845 -11.907 105 HA VAL 18 HA VAL 18 1.769 -13.688 -11.200 106 HB VAL 18 HB VAL 18 1.081 -12.734 -9.059 107 1HG1 VAL 18 1HG1 VAL 18 3.124 -11.759 -8.479 108 2HG1 VAL 18 2HG1 VAL 18 3.231 -10.850 -9.987 109 3HG1 VAL 18 3HG1 VAL 18 3.549 -12.585 -9.979 110 1HG2 VAL 18 1HG2 VAL 18 -0.127 -10.826 -9.095 111 2HG2 VAL 18 2HG2 VAL 18 0.331 -10.517 -10.769 112 3HG2 VAL 18 3HG2 VAL 18 1.362 -9.952 -9.454 113 H SER 19 H SER 19 -0.351 -14.619 -10.781 114 HA SER 19 HA SER 19 -2.471 -13.483 -12.518 115 1HB SER 19 2HB SER 19 -3.316 -15.665 -12.506 116 2HB SER 19 1HB SER 19 -1.595 -15.961 -12.286 117 HG SER 19 HG SER 19 -2.468 -17.068 -10.657 118 H VAL 20 H VAL 20 -3.513 -11.822 -11.417 119 HA VAL 20 HA VAL 20 -4.207 -12.166 -8.553 120 HB VAL 20 HB VAL 20 -4.438 -9.922 -10.576 121 1HG1 VAL 20 1HG1 VAL 20 -4.945 -8.564 -8.458 122 2HG1 VAL 20 2HG1 VAL 20 -5.296 -10.111 -7.684 123 3HG1 VAL 20 3HG1 VAL 20 -6.247 -9.581 -9.073 124 1HG2 VAL 20 1HG2 VAL 20 -2.185 -10.062 -9.965 125 2HG2 VAL 20 2HG2 VAL 20 -2.556 -10.639 -8.341 126 3HG2 VAL 20 3HG2 VAL 20 -2.808 -8.943 -8.754 127 H SER 21 H SER 21 -6.511 -11.510 -7.946 128 HA SER 21 HA SER 21 -8.599 -11.824 -9.971 129 1HB SER 21 2HB SER 21 -9.204 -14.017 -9.542 130 2HB SER 21 1HB SER 21 -7.473 -14.135 -9.243 131 HG SER 21 HG SER 21 -8.128 -14.821 -7.356 132 H VAL 22 H VAL 22 -10.030 -10.331 -9.224 133 HA VAL 22 HA VAL 22 -10.457 -10.051 -6.293 134 HB VAL 22 HB VAL 22 -11.267 -8.167 -8.512 135 1HG1 VAL 22 1HG1 VAL 22 -10.973 -8.053 -5.535 136 2HG1 VAL 22 2HG1 VAL 22 -12.240 -7.379 -6.560 137 3HG1 VAL 22 3HG1 VAL 22 -10.669 -6.586 -6.463 138 1HG2 VAL 22 1HG2 VAL 22 -8.657 -8.034 -6.984 139 2HG2 VAL 22 2HG2 VAL 22 -9.148 -7.059 -8.366 140 3HG2 VAL 22 3HG2 VAL 22 -8.783 -8.768 -8.580 141 H SER 23 H SER 23 -12.603 -10.285 -5.495 142 HA SER 23 HA SER 23 -14.805 -10.634 -7.476 143 1HB SER 23 2HB SER 23 -15.342 -12.847 -6.441 144 2HB SER 23 1HB SER 23 -13.780 -12.835 -7.250 145 HG SER 23 HG SER 23 -14.380 -12.735 -4.491 146 H GLY 24 H GLY 24 -16.748 -9.911 -6.640 147 1HA GLY 24 2HA GLY 24 -18.206 -9.946 -4.538 148 2HA GLY 24 1HA GLY 24 -16.799 -9.268 -3.719 149 H ALA 25 H ALA 25 -16.062 -7.550 -5.977 150 HA ALA 25 HA ALA 25 -17.457 -5.177 -5.281 151 1HB ALA 25 1HB ALA 25 -16.467 -4.769 -7.826 152 2HB ALA 25 2HB ALA 25 -15.515 -6.143 -7.261 153 3HB ALA 25 3HB ALA 25 -15.525 -4.643 -6.342 154 H ALA 26 H ALA 26 -18.256 -7.689 -7.599 155 HA ALA 26 HA ALA 26 -20.294 -8.034 -8.771 156 1HB ALA 26 1HB ALA 26 -21.481 -5.451 -8.048 157 2HB ALA 26 2HB ALA 26 -20.906 -6.368 -6.655 158 3HB ALA 26 3HB ALA 26 -22.087 -7.082 -7.755 159 H ALA 27 H ALA 27 -20.605 -7.710 -10.920 160 HA ALA 27 HA ALA 27 -19.086 -6.003 -12.528 161 1HB ALA 27 1HB ALA 27 -20.448 -6.810 -14.236 162 2HB ALA 27 2HB ALA 27 -21.910 -6.695 -13.256 163 3HB ALA 27 3HB ALA 27 -20.758 -7.998 -12.971 164 H GLY 28 H GLY 28 -19.198 -3.844 -13.014 165 1HA GLY 28 2HA GLY 28 -20.655 -1.907 -13.598 166 2HA GLY 28 1HA GLY 28 -21.666 -2.373 -12.235 167 H GLU 29 H GLU 29 -18.269 -2.679 -11.768 168 HA GLU 29 HA GLU 29 -18.106 -0.002 -10.462 169 1HB GLU 29 2HB GLU 29 -17.595 -2.697 -9.169 170 2HB GLU 29 1HB GLU 29 -17.261 -1.141 -8.409 171 1HG GLU 29 2HG GLU 29 -19.991 -2.001 -9.407 172 2HG GLU 29 1HG GLU 29 -19.466 -2.110 -7.727 173 H THR 30 H THR 30 -15.990 0.819 -10.418 174 HA THR 30 HA THR 30 -13.924 -0.836 -11.825 175 HB THR 30 HB THR 30 -13.880 2.157 -11.511 176 HG1 THR 30 HG1 THR 30 -15.902 1.822 -12.304 177 1HG2 THR 30 1HG2 THR 30 -11.928 1.185 -12.522 178 2HG2 THR 30 2HG2 THR 30 -12.869 1.920 -13.819 179 3HG2 THR 30 3HG2 THR 30 -12.911 0.173 -13.580 180 H TYR 31 H TYR 31 -11.843 -0.961 -10.906 181 HA TYR 31 HA TYR 31 -11.437 0.387 -8.261 182 1HB TYR 31 2HB TYR 31 -10.916 -2.515 -8.989 183 2HB TYR 31 1HB TYR 31 -10.565 -1.775 -7.426 184 HD1 TYR 31 HD1 TYR 31 -12.346 -1.166 -5.881 185 HD2 TYR 31 HD2 TYR 31 -13.229 -2.888 -9.715 186 HE1 TYR 31 HE1 TYR 31 -14.686 -1.566 -5.166 187 HE2 TYR 31 HE2 TYR 31 -15.568 -3.289 -8.998 188 HH TYR 31 HH TYR 31 -17.038 -1.834 -6.635 189 H TYR 32 H TYR 32 -9.028 0.241 -7.640 190 HA TYR 32 HA TYR 32 -7.315 0.278 -10.103 191 1HB TYR 32 2HB TYR 32 -7.007 2.088 -7.698 192 2HB TYR 32 1HB TYR 32 -6.317 2.295 -9.307 193 HD1 TYR 32 HD1 TYR 32 -7.519 3.422 -11.026 194 HD2 TYR 32 HD2 TYR 32 -9.531 2.243 -7.417 195 HE1 TYR 32 HE1 TYR 32 -9.517 4.724 -11.713 196 HE2 TYR 32 HE2 TYR 32 -11.527 3.545 -8.104 197 HH TYR 32 HH TYR 32 -12.366 4.341 -10.782 198 H ILE 33 H ILE 33 -5.668 -1.180 -9.930 199 HA ILE 33 HA ILE 33 -4.779 -1.992 -7.175 200 HB ILE 33 HB ILE 33 -5.889 -3.752 -8.491 201 1HG1 ILE 33 2HG1 ILE 33 -2.886 -4.182 -8.463 202 2HG1 ILE 33 1HG1 ILE 33 -3.918 -4.311 -7.038 203 1HG2 ILE 33 1HG2 ILE 33 -4.869 -4.500 -10.626 204 2HG2 ILE 33 2HG2 ILE 33 -3.729 -3.159 -10.537 205 3HG2 ILE 33 3HG2 ILE 33 -5.451 -2.840 -10.731 206 1HD1 ILE 33 1HD1 ILE 33 -4.168 -5.965 -9.567 207 2HD1 ILE 33 2HD1 ILE 33 -5.245 -6.070 -8.174 208 3HD1 ILE 33 3HD1 ILE 33 -3.550 -6.532 -8.015 209 H ALA 34 H ALA 34 -2.652 -1.548 -6.686 210 HA ALA 34 HA ALA 34 -0.668 -1.338 -8.881 211 1HB ALA 34 1HB ALA 34 -0.186 0.949 -8.482 212 2HB ALA 34 2HB ALA 34 -1.049 0.944 -6.944 213 3HB ALA 34 3HB ALA 34 -1.948 0.871 -8.458 214 H GLN 35 H GLN 35 1.465 -1.632 -8.144 215 HA GLN 35 HA GLN 35 1.742 -2.771 -5.434 216 1HB GLN 35 2HB GLN 35 2.729 -3.951 -7.294 217 2HB GLN 35 1HB GLN 35 3.511 -2.484 -7.880 218 1HG GLN 35 2HG GLN 35 4.652 -2.494 -5.500 219 2HG GLN 35 1HG GLN 35 4.241 -4.208 -5.535 220 1HE2 GLN 35 1HE2 GLN 35 5.196 -5.528 -7.300 221 2HE2 GLN 35 2HE2 GLN 35 6.590 -4.992 -8.107 222 H CYS 36 H CYS 36 2.597 -1.583 -3.735 223 HA CYS 36 HA CYS 36 4.203 0.845 -4.419 224 1HB CYS 36 2HB CYS 36 2.351 0.909 -2.067 225 2HB CYS 36 1HB CYS 36 2.843 2.224 -3.123 226 H ALA 37 H ALA 37 5.305 1.686 -2.312 227 HA ALA 37 HA ALA 37 5.915 -0.453 -0.351 228 1HB ALA 37 1HB ALA 37 8.218 0.855 -1.750 229 2HB ALA 37 2HB ALA 37 7.357 -0.432 -2.594 230 3HB ALA 37 3HB ALA 37 8.116 -0.753 -1.034 231 HA PRO 38 HA PRO 38 6.269 3.071 2.237 232 1HB PRO 38 2HB PRO 38 7.922 2.084 4.180 233 2HB PRO 38 1HB PRO 38 6.212 1.642 4.037 234 1HG PRO 38 2HG PRO 38 8.630 0.146 3.143 235 2HG PRO 38 1HG PRO 38 7.146 -0.462 3.900 236 1HD PRO 38 2HD PRO 38 7.621 -0.656 1.231 237 2HD PRO 38 1HD PRO 38 5.986 -0.495 1.913 238 H VAL 39 H VAL 39 7.820 4.684 2.939 239 HA VAL 39 HA VAL 39 10.611 4.392 1.943 240 HB VAL 39 HB VAL 39 8.764 6.662 1.194 241 1HG1 VAL 39 1HG1 VAL 39 10.532 7.447 -0.171 242 2HG1 VAL 39 2HG1 VAL 39 11.408 5.920 -0.051 243 3HG1 VAL 39 3HG1 VAL 39 11.315 6.995 1.344 244 1HG2 VAL 39 1HG2 VAL 39 7.903 4.931 -0.103 245 2HG2 VAL 39 2HG2 VAL 39 9.443 4.077 -0.160 246 3HG2 VAL 39 3HG2 VAL 39 9.195 5.514 -1.152 247 H GLY 40 H GLY 40 10.674 4.361 4.446 248 1HA GLY 40 2HA GLY 40 11.656 5.619 6.224 249 2HA GLY 40 1HA GLY 40 11.253 7.104 5.359 250 H GLY 41 H GLY 41 8.438 6.270 4.934 251 1HA GLY 41 2HA GLY 41 7.116 5.669 7.371 252 2HA GLY 41 1HA GLY 41 7.279 7.423 7.268 253 H GLN 42 H GLN 42 7.000 7.745 4.474 254 HA GLN 42 HA GLN 42 4.094 7.522 4.230 255 1HB GLN 42 2HB GLN 42 6.398 8.723 2.756 256 2HB GLN 42 1HB GLN 42 4.909 8.458 1.850 257 1HG GLN 42 2HG GLN 42 5.213 10.061 4.405 258 2HG GLN 42 1HG GLN 42 4.836 10.690 2.802 259 1HE2 GLN 42 1HE2 GLN 42 2.689 10.040 1.861 260 2HE2 GLN 42 2HE2 GLN 42 1.415 9.633 2.906 261 H ASP 43 H ASP 43 3.730 6.989 1.539 262 HA ASP 43 HA ASP 43 4.866 4.254 1.119 263 1HB ASP 43 2HB ASP 43 2.282 4.911 2.019 264 2HB ASP 43 1HB ASP 43 2.087 4.488 0.318 265 H ALA 44 H ALA 44 6.072 4.760 -0.727 266 HA ALA 44 HA ALA 44 4.913 6.457 -2.847 267 1HB ALA 44 1HB ALA 44 7.509 4.900 -2.832 268 2HB ALA 44 2HB ALA 44 7.330 6.444 -1.999 269 3HB ALA 44 3HB ALA 44 7.133 6.359 -3.749 270 H CYS 45 H CYS 45 3.510 5.474 -4.262 271 HA CYS 45 HA CYS 45 3.805 2.574 -4.798 272 1HB CYS 45 2HB CYS 45 1.640 3.842 -4.168 273 2HB CYS 45 1HB CYS 45 1.671 4.427 -5.830 274 H ASN 46 H ASN 46 3.321 1.982 -7.200 275 HA ASN 46 HA ASN 46 5.079 3.687 -8.910 276 1HB ASN 46 2HB ASN 46 5.476 1.191 -8.308 277 2HB ASN 46 1HB ASN 46 4.184 0.867 -9.464 278 1HD2 ASN 46 1HD2 ASN 46 6.743 -0.078 -10.078 279 2HD2 ASN 46 2HD2 ASN 46 7.402 0.836 -11.347 280 HA PRO 47 HA PRO 47 1.288 4.635 -11.061 281 1HB PRO 47 2HB PRO 47 2.383 6.418 -12.812 282 2HB PRO 47 1HB PRO 47 2.019 6.826 -11.123 283 1HG PRO 47 2HG PRO 47 4.625 6.181 -12.393 284 2HG PRO 47 1HG PRO 47 4.254 7.305 -11.077 285 1HD PRO 47 2HD PRO 47 5.348 4.787 -10.739 286 2HD PRO 47 1HD PRO 47 4.486 5.699 -9.480 287 H ALA 48 H ALA 48 4.329 3.637 -12.539 288 HA ALA 48 HA ALA 48 3.450 3.185 -15.209 289 1HB ALA 48 1HB ALA 48 5.395 1.340 -13.901 290 2HB ALA 48 2HB ALA 48 5.779 3.062 -13.896 291 3HB ALA 48 3HB ALA 48 5.539 2.217 -15.424 292 H THR 49 H THR 49 3.783 0.790 -12.576 293 HA THR 49 HA THR 49 2.107 -1.130 -14.069 294 HB THR 49 HB THR 49 2.687 -2.520 -12.008 295 HG1 THR 49 HG1 THR 49 3.422 -1.396 -10.414 296 1HG2 THR 49 1HG2 THR 49 4.005 -2.309 -14.233 297 2HG2 THR 49 2HG2 THR 49 4.822 -3.029 -12.845 298 3HG2 THR 49 3HG2 THR 49 5.146 -1.353 -13.288 299 H ALA 50 H ALA 50 0.563 1.089 -13.459 300 HA ALA 50 HA ALA 50 -1.215 0.041 -11.284 301 1HB ALA 50 1HB ALA 50 0.327 2.414 -11.348 302 2HB ALA 50 2HB ALA 50 -0.898 1.973 -10.159 303 3HB ALA 50 3HB ALA 50 -1.350 2.909 -11.585 304 H THR 51 H THR 51 -3.029 -0.634 -12.388 305 HA THR 51 HA THR 51 -4.202 1.253 -14.397 306 HB THR 51 HB THR 51 -3.058 -0.534 -15.580 307 HG1 THR 51 HG1 THR 51 -4.751 -1.181 -16.755 308 1HG2 THR 51 1HG2 THR 51 -4.221 -2.149 -13.389 309 2HG2 THR 51 2HG2 THR 51 -2.702 -2.360 -14.263 310 3HG2 THR 51 3HG2 THR 51 -4.216 -2.917 -14.977 311 H SER 52 H SER 52 -6.548 1.013 -14.619 312 HA SER 52 HA SER 52 -7.821 0.033 -12.107 313 1HB SER 52 2HB SER 52 -9.670 1.514 -12.897 314 2HB SER 52 1HB SER 52 -8.142 2.376 -12.754 315 HG SER 52 HG SER 52 -9.515 2.525 -14.794 316 H PHE 53 H PHE 53 -9.361 -1.613 -12.182 317 HA PHE 53 HA PHE 53 -10.173 -2.630 -14.879 318 1HB PHE 53 2HB PHE 53 -9.697 -4.893 -14.087 319 2HB PHE 53 1HB PHE 53 -8.257 -3.894 -13.879 320 HD1 PHE 53 HD1 PHE 53 -10.975 -5.678 -12.174 321 HD2 PHE 53 HD2 PHE 53 -7.587 -3.090 -11.649 322 HE1 PHE 53 HE1 PHE 53 -10.983 -6.158 -9.741 323 HE2 PHE 53 HE2 PHE 53 -7.597 -3.571 -9.218 324 HZ PHE 53 HZ PHE 53 -9.292 -5.105 -8.264 325 H THR 54 H THR 54 -12.359 -2.980 -14.993 326 HA THR 54 HA THR 54 -13.979 -2.676 -12.534 327 HB THR 54 HB THR 54 -14.678 -2.968 -15.472 328 HG1 THR 54 HG1 THR 54 -15.173 -0.628 -14.965 329 1HG2 THR 54 1HG2 THR 54 -16.869 -2.815 -14.915 330 2HG2 THR 54 2HG2 THR 54 -16.555 -1.639 -13.639 331 3HG2 THR 54 3HG2 THR 54 -16.340 -3.360 -13.323 332 H THR 55 H THR 55 -15.196 -4.375 -11.646 333 HA THR 55 HA THR 55 -14.411 -7.052 -11.907 334 HB THR 55 HB THR 55 -16.995 -7.341 -11.199 335 HG1 THR 55 HG1 THR 55 -17.940 -5.480 -11.176 336 1HG2 THR 55 1HG2 THR 55 -16.270 -6.591 -8.897 337 2HG2 THR 55 2HG2 THR 55 -14.767 -6.025 -9.625 338 3HG2 THR 55 3HG2 THR 55 -15.182 -7.740 -9.675 339 H ASP 56 H ASP 56 -15.846 -8.877 -12.825 340 HA ASP 56 HA ASP 56 -16.388 -8.266 -15.672 341 1HB ASP 56 2HB ASP 56 -15.101 -10.281 -14.529 342 2HB ASP 56 1HB ASP 56 -16.725 -10.952 -14.366 343 H ALA 57 H ALA 57 -18.396 -10.003 -16.314 344 HA ALA 57 HA ALA 57 -20.767 -8.631 -15.475 345 1HB ALA 57 1HB ALA 57 -21.852 -10.217 -16.894 346 2HB ALA 57 2HB ALA 57 -20.584 -11.415 -16.634 347 3HB ALA 57 3HB ALA 57 -20.253 -9.976 -17.599 348 H SER 58 H SER 58 -19.036 -11.362 -14.188 349 HA SER 58 HA SER 58 -21.309 -12.112 -12.418 350 1HB SER 58 2HB SER 58 -19.274 -13.795 -11.807 351 2HB SER 58 1HB SER 58 -20.362 -14.072 -13.161 352 HG SER 58 HG SER 58 -18.446 -14.114 -14.129 353 H GLY 59 H GLY 59 -19.392 -9.638 -12.304 354 1HA GLY 59 2HA GLY 59 -18.513 -8.327 -10.559 355 2HA GLY 59 1HA GLY 59 -19.308 -9.427 -9.443 356 H ALA 60 H ALA 60 -17.170 -10.856 -11.717 357 HA ALA 60 HA ALA 60 -15.000 -10.991 -9.652 358 1HB ALA 60 1HB ALA 60 -16.301 -13.026 -9.523 359 2HB ALA 60 2HB ALA 60 -14.800 -13.416 -10.365 360 3HB ALA 60 3HB ALA 60 -16.294 -13.198 -11.278 361 H ALA 61 H ALA 61 -13.153 -10.191 -10.578 362 HA ALA 61 HA ALA 61 -12.749 -10.657 -13.518 363 1HB ALA 61 1HB ALA 61 -11.542 -8.438 -13.420 364 2HB ALA 61 2HB ALA 61 -12.116 -8.274 -11.761 365 3HB ALA 61 3HB ALA 61 -13.272 -8.338 -13.091 366 H SER 62 H SER 62 -10.985 -11.895 -13.897 367 HA SER 62 HA SER 62 -8.730 -11.829 -11.924 368 1HB SER 62 2HB SER 62 -9.541 -14.140 -13.699 369 2HB SER 62 1HB SER 62 -8.493 -14.184 -12.282 370 HG SER 62 HG SER 62 -10.650 -14.913 -11.863 371 H PHE 63 H PHE 63 -6.695 -11.448 -12.854 372 HA PHE 63 HA PHE 63 -6.329 -11.839 -15.759 373 1HB PHE 63 2HB PHE 63 -5.820 -9.399 -16.054 374 2HB PHE 63 1HB PHE 63 -7.504 -9.717 -15.637 375 HD1 PHE 63 HD1 PHE 63 -8.211 -9.550 -13.178 376 HD2 PHE 63 HD2 PHE 63 -4.466 -8.068 -14.667 377 HE1 PHE 63 HE1 PHE 63 -7.953 -8.143 -11.148 378 HE2 PHE 63 HE2 PHE 63 -4.208 -6.661 -12.644 379 HZ PHE 63 HZ PHE 63 -5.951 -6.702 -10.881 380 H SER 64 H SER 64 -4.058 -10.876 -16.363 381 HA SER 64 HA SER 64 -2.151 -11.745 -14.244 382 1HB SER 64 2HB SER 64 -0.642 -11.567 -16.404 383 2HB SER 64 1HB SER 64 -1.758 -12.916 -16.223 384 HG SER 64 HG SER 64 -2.436 -10.469 -17.492 385 H PHE 65 H PHE 65 -1.197 -10.126 -13.088 386 HA PHE 65 HA PHE 65 -0.929 -7.428 -14.323 387 1HB PHE 65 2HB PHE 65 -2.300 -7.454 -12.352 388 2HB PHE 65 1HB PHE 65 -1.143 -8.469 -11.493 389 HD1 PHE 65 HD1 PHE 65 -1.725 -5.090 -12.896 390 HD2 PHE 65 HD2 PHE 65 0.785 -7.546 -10.430 391 HE1 PHE 65 HE1 PHE 65 -0.556 -3.067 -12.073 392 HE2 PHE 65 HE2 PHE 65 1.955 -5.528 -9.606 393 HZ PHE 65 HZ PHE 65 1.289 -3.287 -10.426 394 H VAL 66 H VAL 66 1.157 -6.667 -14.672 395 HA VAL 66 HA VAL 66 3.416 -8.436 -14.063 396 HB VAL 66 HB VAL 66 3.403 -5.629 -15.179 397 1HG1 VAL 66 1HG1 VAL 66 5.598 -6.661 -14.527 398 2HG1 VAL 66 2HG1 VAL 66 5.471 -6.316 -16.252 399 3HG1 VAL 66 3HG1 VAL 66 5.270 -7.968 -15.665 400 1HG2 VAL 66 1HG2 VAL 66 2.969 -8.283 -16.580 401 2HG2 VAL 66 2HG2 VAL 66 3.275 -6.757 -17.409 402 3HG2 VAL 66 3HG2 VAL 66 1.806 -6.963 -16.453 403 H VAL 67 H VAL 67 5.323 -7.634 -12.917 404 HA VAL 67 HA VAL 67 4.739 -5.523 -10.881 405 HB VAL 67 HB VAL 67 6.003 -7.156 -9.308 406 1HG1 VAL 67 1HG1 VAL 67 3.653 -6.749 -8.998 407 2HG1 VAL 67 2HG1 VAL 67 3.877 -8.497 -8.962 408 3HG1 VAL 67 3HG1 VAL 67 3.238 -7.720 -10.409 409 1HG2 VAL 67 1HG2 VAL 67 6.513 -8.568 -11.535 410 2HG2 VAL 67 2HG2 VAL 67 4.976 -9.321 -11.103 411 3HG2 VAL 67 3HG2 VAL 67 6.325 -9.354 -9.966 412 H ARG 68 H ARG 68 6.756 -4.544 -10.031 413 HA ARG 68 HA ARG 68 9.148 -5.119 -11.741 414 1HB ARG 68 2HB ARG 68 7.814 -2.509 -11.013 415 2HB ARG 68 1HB ARG 68 9.466 -2.579 -11.631 416 1HG ARG 68 2HG ARG 68 8.660 -3.795 -13.632 417 2HG ARG 68 1HG ARG 68 7.007 -3.683 -13.024 418 1HD ARG 68 2HD ARG 68 7.205 -1.861 -14.545 419 2HD ARG 68 1HD ARG 68 7.434 -1.120 -12.949 420 HE ARG 68 HE ARG 68 9.896 -2.111 -14.216 421 1HH1 ARG 68 1HH1 ARG 68 8.908 0.286 -12.287 422 2HH1 ARG 68 2HH1 ARG 68 9.563 1.608 -13.193 423 1HH2 ARG 68 1HH2 ARG 68 10.257 -0.311 -15.992 424 2HH2 ARG 68 2HH2 ARG 68 10.328 1.270 -15.289 425 H LYS 69 H LYS 69 10.376 -6.147 -10.177 426 HA LYS 69 HA LYS 69 10.569 -5.888 -7.463 427 1HB LYS 69 2HB LYS 69 11.916 -7.367 -8.927 428 2HB LYS 69 1HB LYS 69 12.876 -5.976 -9.430 429 1HG LYS 69 2HG LYS 69 13.200 -5.659 -6.821 430 2HG LYS 69 1HG LYS 69 12.823 -7.381 -6.787 431 1HD LYS 69 2HD LYS 69 14.848 -7.928 -7.611 432 2HD LYS 69 1HD LYS 69 14.707 -6.743 -8.911 433 1HE LYS 69 2HE LYS 69 15.116 -5.481 -6.293 434 2HE LYS 69 1HE LYS 69 16.458 -6.541 -6.770 435 1HZ LYS 69 1HZ LYS 69 16.912 -4.525 -7.836 436 2HZ LYS 69 2HZ LYS 69 15.289 -4.274 -8.271 437 3HZ LYS 69 3HZ LYS 69 16.204 -5.475 -9.048 438 H SER 70 H SER 70 12.284 -3.713 -9.762 439 HA SER 70 HA SER 70 12.561 -1.764 -7.492 440 1HB SER 70 2HB SER 70 14.747 -2.319 -7.925 441 2HB SER 70 1HB SER 70 14.403 -2.803 -9.583 442 HG SER 70 HG SER 70 14.692 -0.192 -8.514 443 H TYR 71 H TYR 71 12.106 0.408 -7.955 444 HA TYR 71 HA TYR 71 11.737 1.490 -10.599 445 1HB TYR 71 2HB TYR 71 9.374 1.357 -10.832 446 2HB TYR 71 1HB TYR 71 9.845 -0.247 -10.273 447 HD1 TYR 71 HD1 TYR 71 8.494 3.039 -9.172 448 HD2 TYR 71 HD2 TYR 71 9.095 -1.094 -8.171 449 HE1 TYR 71 HE1 TYR 71 7.019 3.303 -7.197 450 HE2 TYR 71 HE2 TYR 71 7.622 -0.831 -6.194 451 HH TYR 71 HH TYR 71 5.913 2.219 -5.572 452 H THR 72 H THR 72 11.407 3.755 -10.467 453 HA THR 72 HA THR 72 11.801 4.989 -7.862 454 HB THR 72 HB THR 72 10.991 6.405 -10.381 455 HG1 THR 72 HG1 THR 72 13.535 6.175 -10.507 456 1HG2 THR 72 1HG2 THR 72 11.420 7.879 -8.573 457 2HG2 THR 72 2HG2 THR 72 12.895 7.902 -9.538 458 3HG2 THR 72 3HG2 THR 72 12.828 6.952 -8.054 459 H GLY 73 H GLY 73 10.161 5.505 -6.448 460 1HA GLY 73 2HA GLY 73 7.362 5.468 -7.427 461 2HA GLY 73 1HA GLY 73 7.862 5.477 -5.735 462 H SER 74 H SER 74 5.943 7.231 -6.195 463 HA SER 74 HA SER 74 7.079 9.801 -5.590 464 1HB SER 74 2HB SER 74 6.529 10.903 -7.756 465 2HB SER 74 1HB SER 74 7.756 9.654 -7.951 466 HG SER 74 HG SER 74 5.438 9.844 -9.179 467 H THR 75 H THR 75 4.942 8.119 -4.603 468 HA THR 75 HA THR 75 2.667 8.194 -3.965 469 HB THR 75 HB THR 75 1.919 10.616 -3.612 470 HG1 THR 75 HG1 THR 75 2.946 11.822 -5.032 471 1HG2 THR 75 1HG2 THR 75 4.298 10.950 -2.244 472 2HG2 THR 75 2HG2 THR 75 4.223 9.203 -2.481 473 3HG2 THR 75 3HG2 THR 75 2.904 10.040 -1.661 474 HA PRO 76 HA PRO 76 0.083 8.356 -7.494 475 1HB PRO 76 2HB PRO 76 -2.346 9.065 -6.479 476 2HB PRO 76 1HB PRO 76 -1.613 7.470 -6.235 477 1HG PRO 76 2HG PRO 76 -1.751 9.784 -4.377 478 2HG PRO 76 1HG PRO 76 -1.872 8.050 -4.034 479 1HD PRO 76 2HD PRO 76 0.394 9.540 -3.601 480 2HD PRO 76 1HD PRO 76 0.399 7.788 -3.896 481 H GLU 77 H GLU 77 -0.788 11.143 -5.413 482 HA GLU 77 HA GLU 77 -0.129 12.997 -7.612 483 1HB GLU 77 2HB GLU 77 -2.787 11.969 -7.057 484 2HB GLU 77 1HB GLU 77 -2.742 13.723 -6.873 485 1HG GLU 77 2HG GLU 77 -2.529 14.048 -9.099 486 2HG GLU 77 1HG GLU 77 -1.262 12.827 -9.226 487 H GLY 78 H GLY 78 1.219 14.218 -6.283 488 1HA GLY 78 2HA GLY 78 0.176 16.184 -4.571 489 2HA GLY 78 1HA GLY 78 0.636 14.833 -3.534 490 H THR 79 H THR 79 2.844 14.361 -3.250 491 HA THR 79 HA THR 79 4.754 16.283 -4.539 492 HB THR 79 HB THR 79 5.899 15.763 -2.160 493 HG1 THR 79 HG1 THR 79 4.398 14.479 -1.273 494 1HG2 THR 79 1HG2 THR 79 4.445 17.873 -3.329 495 2HG2 THR 79 2HG2 THR 79 5.538 17.970 -1.949 496 3HG2 THR 79 3HG2 THR 79 3.814 17.702 -1.691 497 HA PRO 80 HA PRO 80 7.039 12.717 -5.697 498 1HB PRO 80 2HB PRO 80 9.578 13.737 -5.728 499 2HB PRO 80 1HB PRO 80 8.368 14.110 -6.972 500 1HG PRO 80 2HG PRO 80 9.234 15.734 -4.629 501 2HG PRO 80 1HG PRO 80 8.832 16.252 -6.275 502 1HD PRO 80 2HD PRO 80 7.120 16.511 -4.167 503 2HD PRO 80 1HD PRO 80 6.577 16.313 -5.848 504 H VAL 81 H VAL 81 8.471 11.108 -4.791 505 HA VAL 81 HA VAL 81 9.103 11.538 -1.897 506 HB VAL 81 HB VAL 81 8.273 9.102 -3.473 507 1HG1 VAL 81 1HG1 VAL 81 9.867 8.405 -1.787 508 2HG1 VAL 81 2HG1 VAL 81 8.248 7.978 -1.230 509 3HG1 VAL 81 3HG1 VAL 81 9.064 9.395 -0.567 510 1HG2 VAL 81 1HG2 VAL 81 6.908 10.500 -1.161 511 2HG2 VAL 81 2HG2 VAL 81 6.246 9.211 -2.167 512 3HG2 VAL 81 3HG2 VAL 81 6.520 10.813 -2.852 513 H GLY 82 H GLY 82 10.074 8.820 -3.897 514 1HA GLY 82 2HA GLY 82 12.713 9.740 -4.548 515 2HA GLY 82 1HA GLY 82 12.763 8.796 -3.056 516 H SER 83 H SER 83 14.025 7.180 -4.255 517 HA SER 83 HA SER 83 12.576 5.713 -6.384 518 1HB SER 83 2HB SER 83 15.314 6.141 -5.493 519 2HB SER 83 1HB SER 83 14.990 4.448 -5.846 520 HG SER 83 HG SER 83 15.012 4.957 -7.874 521 H VAL 84 H VAL 84 12.458 3.302 -6.199 522 HA VAL 84 HA VAL 84 12.257 2.390 -3.349 523 HB VAL 84 HB VAL 84 10.345 2.187 -5.674 524 1HG1 VAL 84 1HG1 VAL 84 10.587 -0.090 -4.807 525 2HG1 VAL 84 2HG1 VAL 84 9.034 0.576 -4.300 526 3HG1 VAL 84 3HG1 VAL 84 10.375 0.492 -3.156 527 1HG2 VAL 84 1HG2 VAL 84 9.190 2.619 -3.075 528 2HG2 VAL 84 2HG2 VAL 84 9.212 3.709 -4.461 529 3HG2 VAL 84 3HG2 VAL 84 10.537 3.736 -3.297 530 H ASP 85 H ASP 85 12.662 0.120 -3.046 531 HA ASP 85 HA ASP 85 13.506 -1.509 -5.362 532 1HB ASP 85 2HB ASP 85 15.789 -1.781 -4.463 533 2HB ASP 85 1HB ASP 85 15.452 -0.080 -4.790 534 H CYS 86 H CYS 86 12.286 -3.302 -4.841 535 HA CYS 86 HA CYS 86 11.628 -4.137 -2.171 536 1HB CYS 86 2HB CYS 86 11.706 -5.747 -4.740 537 2HB CYS 86 1HB CYS 86 10.695 -6.061 -3.329 538 H ALA 87 H ALA 87 14.567 -4.315 -3.842 539 HA ALA 87 HA ALA 87 15.617 -6.865 -3.274 540 1HB ALA 87 1HB ALA 87 17.257 -4.391 -2.845 541 2HB ALA 87 2HB ALA 87 16.537 -4.654 -4.433 542 3HB ALA 87 3HB ALA 87 17.656 -5.843 -3.763 543 H THR 88 H THR 88 15.453 -3.986 -1.218 544 HA THR 88 HA THR 88 15.846 -5.739 1.173 545 HB THR 88 HB THR 88 17.962 -4.679 0.738 546 HG1 THR 88 HG1 THR 88 18.135 -3.923 2.686 547 1HG2 THR 88 1HG2 THR 88 17.620 -1.952 0.769 548 2HG2 THR 88 2HG2 THR 88 16.216 -2.489 -0.153 549 3HG2 THR 88 3HG2 THR 88 17.841 -2.921 -0.687 550 H ALA 89 H ALA 89 13.785 -3.762 -0.428 551 HA ALA 89 HA ALA 89 12.743 -2.401 2.009 552 1HB ALA 89 1HB ALA 89 13.399 -1.294 -0.293 553 2HB ALA 89 2HB ALA 89 11.935 -0.770 0.537 554 3HB ALA 89 3HB ALA 89 11.826 -1.906 -0.807 555 H ALA 90 H ALA 90 10.761 -3.057 2.818 556 HA ALA 90 HA ALA 90 9.508 -5.471 1.877 557 1HB ALA 90 1HB ALA 90 8.346 -5.233 3.835 558 2HB ALA 90 2HB ALA 90 7.944 -3.549 3.499 559 3HB ALA 90 3HB ALA 90 9.529 -3.965 4.151 560 H CYS 91 H CYS 91 8.702 -5.354 -0.242 561 HA CYS 91 HA CYS 91 7.095 -3.016 -1.088 562 1HB CYS 91 2HB CYS 91 8.231 -5.509 -2.338 563 2HB CYS 91 1HB CYS 91 7.015 -4.566 -3.199 564 H ASN 92 H ASN 92 4.914 -3.435 -2.086 565 HA ASN 92 HA ASN 92 3.497 -5.893 -1.334 566 1HB ASN 92 2HB ASN 92 1.914 -4.581 0.151 567 2HB ASN 92 1HB ASN 92 3.544 -4.766 0.799 568 1HD2 ASN 92 1HD2 ASN 92 1.181 -2.480 0.468 569 2HD2 ASN 92 2HD2 ASN 92 2.139 -1.082 0.368 570 H LEU 93 H LEU 93 0.958 -5.290 -1.643 571 HA LEU 93 HA LEU 93 0.582 -3.397 -3.906 572 1HB LEU 93 2HB LEU 93 1.153 -5.394 -5.064 573 2HB LEU 93 1HB LEU 93 0.264 -6.404 -3.924 574 HG LEU 93 HG LEU 93 -1.852 -5.217 -4.721 575 1HD1 LEU 93 1HD1 LEU 93 -1.657 -3.520 -6.183 576 2HD1 LEU 93 2HD1 LEU 93 -0.824 -4.577 -7.324 577 3HD1 LEU 93 3HD1 LEU 93 0.098 -3.684 -6.113 578 1HD2 LEU 93 1HD2 LEU 93 -1.504 -7.449 -5.472 579 2HD2 LEU 93 2HD2 LEU 93 -0.170 -6.970 -6.522 580 3HD2 LEU 93 3HD2 LEU 93 -1.825 -6.523 -6.939 581 H GLY 94 H GLY 94 -1.627 -2.691 -4.057 582 1HA GLY 94 2HA GLY 94 -3.593 -3.977 -2.239 583 2HA GLY 94 1HA GLY 94 -3.231 -2.274 -1.956 584 H ALA 95 H ALA 95 -5.777 -3.553 -2.828 585 HA ALA 95 HA ALA 95 -6.197 -1.873 -5.272 586 1HB ALA 95 1HB ALA 95 -7.732 -3.974 -5.885 587 2HB ALA 95 2HB ALA 95 -6.561 -4.814 -4.869 588 3HB ALA 95 3HB ALA 95 -6.020 -3.941 -6.303 589 H GLY 96 H GLY 96 -8.397 -1.106 -5.474 590 1HA GLY 96 2HA GLY 96 -10.738 -1.712 -4.310 591 2HA GLY 96 1HA GLY 96 -9.872 -1.092 -2.905 592 H ASN 97 H ASN 97 -12.198 0.170 -3.888 593 HA ASN 97 HA ASN 97 -11.278 2.532 -5.419 594 1HB ASN 97 2HB ASN 97 -13.470 1.090 -5.672 595 2HB ASN 97 1HB ASN 97 -14.048 2.097 -4.343 596 1HD2 ASN 97 1HD2 ASN 97 -15.540 2.668 -6.413 597 2HD2 ASN 97 2HD2 ASN 97 -15.025 4.029 -7.289 598 H SER 98 H SER 98 -12.435 4.665 -4.501 599 HA SER 98 HA SER 98 -11.184 5.312 -1.999 600 1HB SER 98 2HB SER 98 -11.919 7.430 -2.537 601 2HB SER 98 1HB SER 98 -12.144 6.673 -4.110 602 HG SER 98 HG SER 98 -13.986 7.607 -2.315 603 H GLY 99 H GLY 99 -14.435 4.208 -2.834 604 1HA GLY 99 2HA GLY 99 -15.214 4.440 0.042 605 2HA GLY 99 1HA GLY 99 -16.357 4.327 -1.299 606 H LEU 100 H LEU 100 -15.346 2.207 -2.743 607 HA LEU 100 HA LEU 100 -16.165 -0.065 -1.107 608 1HB LEU 100 2HB LEU 100 -16.611 0.403 -3.583 609 2HB LEU 100 1HB LEU 100 -14.926 -0.033 -3.873 610 HG LEU 100 HG LEU 100 -16.626 -1.916 -4.164 611 1HD1 LEU 100 1HD1 LEU 100 -14.940 -3.018 -2.092 612 2HD1 LEU 100 2HD1 LEU 100 -14.028 -1.882 -3.084 613 3HD1 LEU 100 3HD1 LEU 100 -14.848 -3.250 -3.835 614 1HD2 LEU 100 1HD2 LEU 100 -17.869 -1.164 -2.026 615 2HD2 LEU 100 2HD2 LEU 100 -16.585 -1.991 -1.143 616 3HD2 LEU 100 3HD2 LEU 100 -17.621 -2.897 -2.245 617 H ASP 101 H ASP 101 -14.802 -1.441 -0.003 618 HA ASP 101 HA ASP 101 -11.855 -1.054 -0.340 619 1HB ASP 101 2HB ASP 101 -11.867 -2.231 1.922 620 2HB ASP 101 1HB ASP 101 -12.676 -0.664 1.889 621 H LEU 102 H LEU 102 -10.511 -3.042 -0.274 622 HA LEU 102 HA LEU 102 -11.950 -5.514 -1.112 623 1HB LEU 102 2HB LEU 102 -9.903 -3.865 -2.523 624 2HB LEU 102 1HB LEU 102 -9.810 -5.616 -2.712 625 HG LEU 102 HG LEU 102 -12.351 -4.031 -3.158 626 1HD1 LEU 102 1HD1 LEU 102 -10.391 -3.481 -4.726 627 2HD1 LEU 102 2HD1 LEU 102 -11.883 -4.025 -5.491 628 3HD1 LEU 102 3HD1 LEU 102 -10.532 -5.139 -5.299 629 1HD2 LEU 102 1HD2 LEU 102 -12.553 -6.466 -2.628 630 2HD2 LEU 102 2HD2 LEU 102 -11.514 -6.822 -4.009 631 3HD2 LEU 102 3HD2 LEU 102 -13.095 -6.081 -4.261 632 H GLY 103 H GLY 103 -8.484 -5.111 -1.298 633 1HA GLY 103 2HA GLY 103 -7.886 -6.057 1.365 634 2HA GLY 103 1HA GLY 103 -7.812 -7.371 0.190 635 H HIS 104 H HIS 104 -5.470 -7.024 1.239 636 HA HIS 104 HA HIS 104 -3.911 -5.516 -0.814 637 1HB HIS 104 2HB HIS 104 -3.199 -5.466 2.121 638 2HB HIS 104 1HB HIS 104 -2.691 -4.354 0.852 639 HD1 HIS 104 HD1 HIS 104 -3.995 -2.221 0.712 640 HD2 HIS 104 HD2 HIS 104 -6.172 -5.227 2.610 641 HE1 HIS 104 HE1 HIS 104 -6.167 -1.161 1.475 642 H VAL 105 H VAL 105 -2.305 -6.823 -1.617 643 HA VAL 105 HA VAL 105 -1.574 -9.272 -0.050 644 HB VAL 105 HB VAL 105 -1.308 -8.676 -3.010 645 1HG1 VAL 105 1HG1 VAL 105 -0.187 -10.624 -3.053 646 2HG1 VAL 105 2HG1 VAL 105 -1.612 -11.435 -2.406 647 3HG1 VAL 105 3HG1 VAL 105 -0.387 -10.799 -1.310 648 1HG2 VAL 105 1HG2 VAL 105 -3.689 -8.802 -1.770 649 2HG2 VAL 105 2HG2 VAL 105 -3.386 -10.530 -1.937 650 3HG2 VAL 105 3HG2 VAL 105 -3.431 -9.502 -3.369 651 H ALA 106 H ALA 106 0.521 -9.397 0.687 652 HA ALA 106 HA ALA 106 2.425 -7.253 0.046 653 1HB ALA 106 1HB ALA 106 1.877 -8.679 2.250 654 2HB ALA 106 2HB ALA 106 3.479 -8.003 1.960 655 3HB ALA 106 3HB ALA 106 3.157 -9.697 1.594 656 H LEU 107 H LEU 107 4.596 -7.705 -0.798 657 HA LEU 107 HA LEU 107 4.788 -10.235 -2.407 658 1HB LEU 107 2HB LEU 107 5.626 -7.453 -3.285 659 2HB LEU 107 1HB LEU 107 5.535 -8.902 -4.284 660 HG LEU 107 HG LEU 107 3.081 -7.888 -2.865 661 1HD1 LEU 107 1HD1 LEU 107 4.475 -6.714 -5.217 662 2HD1 LEU 107 2HD1 LEU 107 3.420 -5.941 -4.034 663 3HD1 LEU 107 3HD1 LEU 107 2.726 -6.899 -5.343 664 1HD2 LEU 107 1HD2 LEU 107 3.483 -9.351 -5.493 665 2HD2 LEU 107 2HD2 LEU 107 1.951 -9.073 -4.665 666 3HD2 LEU 107 3HD2 LEU 107 3.154 -10.150 -3.955 667 H THR 108 H THR 108 7.173 -10.475 -3.201 668 HA THR 108 HA THR 108 9.255 -9.151 -1.656 669 HB THR 108 HB THR 108 8.212 -11.870 -0.909 670 HG1 THR 108 HG1 THR 108 8.656 -10.687 1.206 671 1HG2 THR 108 1HG2 THR 108 10.293 -12.579 -0.452 672 2HG2 THR 108 2HG2 THR 108 10.495 -11.213 0.645 673 3HG2 THR 108 3HG2 THR 108 10.953 -11.057 -1.050 674 H PHE 109 H PHE 109 10.760 -9.052 -3.295 675 HA PHE 109 HA PHE 109 10.965 -11.213 -5.287 676 1HB PHE 109 2HB PHE 109 12.397 -8.583 -4.816 677 2HB PHE 109 1HB PHE 109 12.716 -9.629 -6.199 678 HD1 PHE 109 HD1 PHE 109 11.180 -9.779 -8.042 679 HD2 PHE 109 HD2 PHE 109 10.145 -7.548 -4.521 680 HE1 PHE 109 HE1 PHE 109 9.241 -8.795 -9.236 681 HE2 PHE 109 HE2 PHE 109 8.204 -6.565 -5.714 682 HZ PHE 109 HZ PHE 109 7.753 -7.188 -8.074 683 H GLY 110 H GLY 110 11.600 -12.706 -3.333 684 1HA GLY 110 2HA GLY 110 13.368 -14.132 -2.646 685 2HA GLY 110 1HA GLY 110 14.510 -13.042 -3.435 686 2H2' ROM 111 2H2' ROM 111 -10.478 5.045 -5.611 687 2H3' ROM 111 2H3' ROM 111 -8.793 5.995 -8.671 688 H'1 ROM 111 H'1 ROM 111 -4.716 5.837 -7.886 689 3H18 ROM 111 3H18 ROM 111 -4.855 1.304 1.739 690 2H18 ROM 111 2H18 ROM 111 -4.769 0.377 0.318 691 2H23 ROM 111 2H23 ROM 111 -6.712 6.868 -0.133 692 H1' ROM 111 H1' ROM 111 -8.580 6.933 -5.643 693 H2' ROM 111 H2' ROM 111 -11.502 7.126 -6.339 694 H3' ROM 111 H3' ROM 111 -10.669 6.972 -8.640 695 H4' ROM 111 H4' ROM 111 -10.952 9.197 -7.688 696 1H6B ROM 111 1H6B ROM 111 -8.888 11.266 -7.364 697 3H6B ROM 111 3H6B ROM 111 -10.272 11.075 -6.286 698 2H6B ROM 111 2H6B ROM 111 -8.640 11.148 -5.622 699 1H6A ROM 111 1H6A ROM 111 -7.052 9.825 -6.742 700 3H6A ROM 111 3H6A ROM 111 -7.326 8.244 -6.014 701 2H6A ROM 111 2H6A ROM 111 -7.526 8.463 -7.750 702 1H4B ROM 111 1H4B ROM 111 -7.897 8.119 -9.535 703 3H4B ROM 111 3H4B ROM 111 -9.509 7.671 -10.117 704 2H4B ROM 111 2H4B ROM 111 -8.610 8.976 -10.912 705 1H4A ROM 111 1H4A ROM 111 -10.029 10.705 -10.595 706 3H4A ROM 111 3H4A ROM 111 -11.244 9.543 -10.032 707 2H4A ROM 111 2H4A ROM 111 -10.846 10.959 -9.043 708 H'8 ROM 111 H'8 ROM 111 -0.214 5.527 -6.685 709 H'6 ROM 111 H'6 ROM 111 -0.282 6.160 -10.903 710 1H3A ROM 111 1H3A ROM 111 -4.814 6.871 -12.934 711 2H3A ROM 111 2H3A ROM 111 -5.573 5.218 -12.590 712 1H7A ROM 111 1H7A ROM 111 1.728 7.409 -7.575 713 3H7A ROM 111 3H7A ROM 111 2.693 7.320 -9.048 714 2H7A ROM 111 2H7A ROM 111 1.015 7.862 -9.123 715 H3 ROM 111 H3 ROM 111 -5.178 5.986 -5.095 716 H6 ROM 111 H6 ROM 111 -7.865 2.407 -2.998 717 H5 ROM 111 H5 ROM 111 -5.758 1.816 -4.166 718 H12 ROM 111 H12 ROM 111 -6.019 8.206 -3.699 719 H8 ROM 111 H8 ROM 111 -9.792 4.550 -3.079 720 H13 ROM 111 H13 ROM 111 -4.069 2.515 -5.792 721 H10 ROM 111 H10 ROM 111 -9.578 7.767 -1.437 722 H11 ROM 111 H11 ROM 111 -7.444 9.238 -1.813 723 2H14 ROM 111 2H14 ROM 111 -1.893 3.378 -4.880 724 1H14 ROM 111 1H14 ROM 111 -2.805 4.501 -3.868 725 2H17 ROM 111 2H17 ROM 111 -3.867 1.001 -1.582 726 1H17 ROM 111 1H17 ROM 111 -2.316 1.431 -0.865 727 H18 ROM 111 H18 ROM 111 -3.371 2.962 0.671 728 H20 ROM 111 H20 ROM 111 -6.485 1.255 -0.157 729 H24 ROM 111 H24 ROM 111 -4.392 4.968 -0.335 730 4H18 ROM 111 4H18 ROM 111 -3.364 0.670 1.227 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -18.419 -6.247 3.343 2 2H ALA 1 2H ALA 1 -18.485 -7.584 2.298 3 3H ALA 1 3H ALA 1 -18.513 -6.008 1.664 4 HA ALA 1 HA ALA 1 -16.269 -5.646 2.066 5 1HB ALA 1 1HB ALA 1 -15.205 -7.495 3.668 6 2HB ALA 1 2HB ALA 1 -16.881 -7.662 4.191 7 3HB ALA 1 3HB ALA 1 -16.063 -6.105 4.332 8 HA PRO 2 HA PRO 2 -15.950 -8.855 -1.079 9 1HB PRO 2 2HB PRO 2 -14.235 -7.451 -2.681 10 2HB PRO 2 1HB PRO 2 -15.992 -7.205 -2.689 11 1HG PRO 2 2HG PRO 2 -13.863 -5.571 -1.418 12 2HG PRO 2 1HG PRO 2 -15.380 -5.064 -2.173 13 1HD PRO 2 2HD PRO 2 -14.985 -5.240 0.547 14 2HD PRO 2 1HD PRO 2 -16.573 -5.324 -0.246 15 H ALA 3 H ALA 3 -13.426 -9.109 -2.385 16 HA ALA 3 HA ALA 3 -11.360 -9.262 -0.277 17 1HB ALA 3 1HB ALA 3 -11.876 -11.841 -1.635 18 2HB ALA 3 2HB ALA 3 -13.145 -11.314 -0.529 19 3HB ALA 3 3HB ALA 3 -11.494 -11.519 0.057 20 H PHE 4 H PHE 4 -9.273 -9.457 -1.165 21 HA PHE 4 HA PHE 4 -9.084 -9.685 -4.152 22 1HB PHE 4 2HB PHE 4 -8.987 -7.340 -3.507 23 2HB PHE 4 1HB PHE 4 -7.812 -7.696 -2.241 24 HD1 PHE 4 HD1 PHE 4 -5.601 -8.886 -3.036 25 HD2 PHE 4 HD2 PHE 4 -8.225 -6.664 -5.609 26 HE1 PHE 4 HE1 PHE 4 -3.752 -8.585 -4.662 27 HE2 PHE 4 HE2 PHE 4 -6.378 -6.365 -7.234 28 HZ PHE 4 HZ PHE 4 -4.143 -7.324 -6.761 29 H SER 5 H SER 5 -7.557 -11.246 -4.721 30 HA SER 5 HA SER 5 -5.250 -11.692 -2.889 31 1HB SER 5 2HB SER 5 -6.846 -14.050 -3.810 32 2HB SER 5 1HB SER 5 -5.831 -13.886 -2.380 33 HG SER 5 HG SER 5 -8.094 -13.831 -1.913 34 H VAL 6 H VAL 6 -3.624 -13.151 -3.869 35 HA VAL 6 HA VAL 6 -3.737 -13.243 -6.866 36 HB VAL 6 HB VAL 6 -2.351 -11.394 -5.894 37 1HG1 VAL 6 1HG1 VAL 6 -1.659 -12.306 -3.812 38 2HG1 VAL 6 2HG1 VAL 6 -0.190 -12.200 -4.779 39 3HG1 VAL 6 3HG1 VAL 6 -1.001 -13.751 -4.574 40 1HG2 VAL 6 1HG2 VAL 6 -0.260 -11.970 -7.119 41 2HG2 VAL 6 2HG2 VAL 6 -1.701 -12.378 -8.051 42 3HG2 VAL 6 3HG2 VAL 6 -0.803 -13.646 -7.217 43 H SER 7 H SER 7 -2.256 -14.980 -7.745 44 HA SER 7 HA SER 7 -2.476 -17.418 -6.188 45 1HB SER 7 2HB SER 7 -1.442 -16.548 -8.844 46 2HB SER 7 1HB SER 7 -0.855 -18.089 -8.226 47 HG SER 7 HG SER 7 -2.789 -18.324 -9.427 48 HA PRO 8 HA PRO 8 2.178 -17.277 -5.481 49 1HB PRO 8 2HB PRO 8 3.822 -15.668 -6.936 50 2HB PRO 8 1HB PRO 8 3.294 -17.259 -7.516 51 1HG PRO 8 2HG PRO 8 2.325 -14.555 -8.277 52 2HG PRO 8 1HG PRO 8 2.520 -16.007 -9.269 53 1HD PRO 8 2HD PRO 8 0.107 -15.113 -8.274 54 2HD PRO 8 1HD PRO 8 0.455 -16.786 -8.755 55 H ALA 9 H ALA 9 3.959 -15.596 -4.594 56 HA ALA 9 HA ALA 9 3.317 -12.839 -4.220 57 1HB ALA 9 1HB ALA 9 2.375 -13.004 -1.903 58 2HB ALA 9 2HB ALA 9 2.301 -14.753 -2.098 59 3HB ALA 9 3HB ALA 9 1.319 -13.710 -3.122 60 H SER 10 H SER 10 5.603 -14.724 -4.463 61 HA SER 10 HA SER 10 7.373 -13.488 -2.508 62 1HB SER 10 2HB SER 10 6.520 -16.380 -2.260 63 2HB SER 10 1HB SER 10 7.962 -15.742 -1.476 64 HG SER 10 HG SER 10 6.742 -14.623 -0.128 65 H GLY 11 H GLY 11 9.643 -14.097 -2.951 66 1HA GLY 11 2HA GLY 11 11.349 -14.466 -4.534 67 2HA GLY 11 1HA GLY 11 10.559 -16.033 -4.733 68 H LEU 12 H LEU 12 9.671 -12.681 -5.559 69 HA LEU 12 HA LEU 12 8.560 -13.597 -8.135 70 1HB LEU 12 2HB LEU 12 8.775 -10.870 -6.838 71 2HB LEU 12 1HB LEU 12 7.776 -11.269 -8.236 72 HG LEU 12 HG LEU 12 7.510 -12.596 -5.526 73 1HD1 LEU 12 1HD1 LEU 12 6.050 -10.282 -6.804 74 2HD1 LEU 12 2HD1 LEU 12 6.828 -10.338 -5.222 75 3HD1 LEU 12 3HD1 LEU 12 5.341 -11.241 -5.505 76 1HD2 LEU 12 1HD2 LEU 12 5.316 -12.566 -7.523 77 2HD2 LEU 12 2HD2 LEU 12 5.845 -13.864 -6.454 78 3HD2 LEU 12 3HD2 LEU 12 6.718 -13.544 -7.951 79 H SER 13 H SER 13 9.084 -11.345 -9.706 80 HA SER 13 HA SER 13 11.976 -10.861 -9.838 81 1HB SER 13 2HB SER 13 11.462 -13.201 -10.758 82 2HB SER 13 1HB SER 13 10.631 -12.386 -12.079 83 HG SER 13 HG SER 13 12.503 -11.634 -12.806 84 H ASP 14 H ASP 14 12.467 -9.196 -11.412 85 HA ASP 14 HA ASP 14 10.436 -7.244 -11.859 86 1HB ASP 14 2HB ASP 14 12.177 -6.159 -13.187 87 2HB ASP 14 1HB ASP 14 12.917 -6.905 -11.770 88 H GLY 15 H GLY 15 8.888 -7.120 -13.441 89 1HA GLY 15 2HA GLY 15 8.038 -7.337 -15.674 90 2HA GLY 15 1HA GLY 15 9.362 -8.444 -16.035 91 H GLN 16 H GLN 16 8.855 -9.962 -13.526 92 HA GLN 16 HA GLN 16 7.320 -12.093 -14.480 93 1HB GLN 16 2HB GLN 16 8.819 -12.009 -12.474 94 2HB GLN 16 1HB GLN 16 7.557 -11.126 -11.616 95 1HG GLN 16 2HG GLN 16 6.304 -13.387 -12.768 96 2HG GLN 16 1HG GLN 16 7.796 -13.965 -12.029 97 1HE2 GLN 16 1HE2 GLN 16 5.707 -14.905 -10.687 98 2HE2 GLN 16 2HE2 GLN 16 5.367 -14.016 -9.284 99 H SER 17 H SER 17 5.142 -12.502 -14.640 100 HA SER 17 HA SER 17 3.263 -10.365 -13.727 101 1HB SER 17 2HB SER 17 1.815 -11.414 -15.494 102 2HB SER 17 1HB SER 17 3.336 -10.786 -16.120 103 HG SER 17 HG SER 17 2.444 -13.182 -16.429 104 H VAL 18 H VAL 18 1.873 -10.886 -12.095 105 HA VAL 18 HA VAL 18 1.700 -13.722 -11.202 106 HB VAL 18 HB VAL 18 0.938 -12.671 -9.104 107 1HG1 VAL 18 1HG1 VAL 18 3.338 -11.259 -10.313 108 2HG1 VAL 18 2HG1 VAL 18 3.371 -12.853 -9.559 109 3HG1 VAL 18 3HG1 VAL 18 2.998 -11.427 -8.591 110 1HG2 VAL 18 1HG2 VAL 18 0.576 -10.327 -8.908 111 2HG2 VAL 18 2HG2 VAL 18 -0.231 -10.771 -10.413 112 3HG2 VAL 18 3HG2 VAL 18 1.354 -9.997 -10.457 113 H SER 19 H SER 19 -0.413 -14.619 -10.709 114 HA SER 19 HA SER 19 -2.559 -13.591 -12.480 115 1HB SER 19 2HB SER 19 -1.686 -16.114 -11.270 116 2HB SER 19 1HB SER 19 -3.432 -15.890 -11.194 117 HG SER 19 HG SER 19 -3.431 -15.560 -13.426 118 H VAL 20 H VAL 20 -3.664 -11.916 -11.430 119 HA VAL 20 HA VAL 20 -4.296 -12.207 -8.549 120 HB VAL 20 HB VAL 20 -4.598 -9.977 -10.577 121 1HG1 VAL 20 1HG1 VAL 20 -5.113 -8.584 -8.545 122 2HG1 VAL 20 2HG1 VAL 20 -5.231 -10.077 -7.612 123 3HG1 VAL 20 3HG1 VAL 20 -6.364 -9.767 -8.927 124 1HG2 VAL 20 1HG2 VAL 20 -2.281 -10.492 -9.883 125 2HG2 VAL 20 2HG2 VAL 20 -2.758 -10.352 -8.191 126 3HG2 VAL 20 3HG2 VAL 20 -2.800 -8.934 -9.239 127 H SER 21 H SER 21 -6.560 -11.533 -7.923 128 HA SER 21 HA SER 21 -8.717 -11.876 -9.857 129 1HB SER 21 2HB SER 21 -9.310 -14.061 -9.361 130 2HB SER 21 1HB SER 21 -7.567 -14.180 -9.132 131 HG SER 21 HG SER 21 -9.385 -14.728 -7.377 132 H VAL 22 H VAL 22 -10.172 -10.414 -9.058 133 HA VAL 22 HA VAL 22 -10.351 -10.058 -6.107 134 HB VAL 22 HB VAL 22 -11.296 -8.239 -8.329 135 1HG1 VAL 22 1HG1 VAL 22 -12.161 -7.902 -5.980 136 2HG1 VAL 22 2HG1 VAL 22 -11.250 -6.529 -6.612 137 3HG1 VAL 22 3HG1 VAL 22 -10.494 -7.637 -5.466 138 1HG2 VAL 22 1HG2 VAL 22 -9.054 -8.159 -8.822 139 2HG2 VAL 22 2HG2 VAL 22 -8.578 -8.754 -7.230 140 3HG2 VAL 22 3HG2 VAL 22 -9.028 -7.061 -7.442 141 H SER 23 H SER 23 -12.465 -9.960 -5.168 142 HA SER 23 HA SER 23 -14.788 -10.653 -6.885 143 1HB SER 23 2HB SER 23 -14.015 -12.813 -6.326 144 2HB SER 23 1HB SER 23 -13.523 -12.318 -4.709 145 HG SER 23 HG SER 23 -15.927 -13.213 -5.614 146 H GLY 24 H GLY 24 -16.793 -10.836 -5.262 147 1HA GLY 24 2HA GLY 24 -17.964 -9.959 -3.371 148 2HA GLY 24 1HA GLY 24 -16.509 -9.075 -2.911 149 H ALA 25 H ALA 25 -16.013 -7.810 -5.423 150 HA ALA 25 HA ALA 25 -17.587 -5.448 -5.201 151 1HB ALA 25 1HB ALA 25 -15.358 -5.630 -6.243 152 2HB ALA 25 2HB ALA 25 -16.509 -4.918 -7.372 153 3HB ALA 25 3HB ALA 25 -16.040 -6.610 -7.540 154 H ALA 26 H ALA 26 -18.499 -4.862 -7.795 155 HA ALA 26 HA ALA 26 -20.361 -7.004 -8.626 156 1HB ALA 26 1HB ALA 26 -21.927 -4.653 -8.177 157 2HB ALA 26 2HB ALA 26 -21.018 -5.006 -6.704 158 3HB ALA 26 3HB ALA 26 -22.082 -6.233 -7.403 159 H ALA 27 H ALA 27 -21.208 -6.650 -10.700 160 HA ALA 27 HA ALA 27 -19.778 -5.283 -12.632 161 1HB ALA 27 1HB ALA 27 -21.487 -5.980 -13.989 162 2HB ALA 27 2HB ALA 27 -22.729 -5.299 -12.939 163 3HB ALA 27 3HB ALA 27 -21.988 -6.847 -12.536 164 H GLY 28 H GLY 28 -19.549 -3.153 -13.206 165 1HA GLY 28 2HA GLY 28 -20.501 -0.933 -13.605 166 2HA GLY 28 1HA GLY 28 -21.570 -1.204 -12.230 167 H GLU 29 H GLU 29 -18.291 -2.204 -11.867 168 HA GLU 29 HA GLU 29 -17.645 0.324 -10.407 169 1HB GLU 29 2HB GLU 29 -17.504 -2.533 -9.420 170 2HB GLU 29 1HB GLU 29 -16.767 -1.171 -8.574 171 1HG GLU 29 2HG GLU 29 -19.671 -1.066 -9.358 172 2HG GLU 29 1HG GLU 29 -19.181 -1.916 -7.892 173 H THR 30 H THR 30 -15.511 0.924 -10.609 174 HA THR 30 HA THR 30 -13.670 -0.987 -12.007 175 HB THR 30 HB THR 30 -13.605 2.018 -12.277 176 HG1 THR 30 HG1 THR 30 -15.001 1.823 -14.003 177 1HG2 THR 30 1HG2 THR 30 -13.018 0.402 -14.613 178 2HG2 THR 30 2HG2 THR 30 -12.027 -0.087 -13.238 179 3HG2 THR 30 3HG2 THR 30 -12.000 1.586 -13.793 180 H TYR 31 H TYR 31 -12.045 -1.523 -10.601 181 HA TYR 31 HA TYR 31 -11.259 0.416 -8.480 182 1HB TYR 31 2HB TYR 31 -10.724 -2.536 -8.925 183 2HB TYR 31 1HB TYR 31 -10.225 -1.628 -7.498 184 HD1 TYR 31 HD1 TYR 31 -11.913 -0.686 -5.953 185 HD2 TYR 31 HD2 TYR 31 -13.022 -3.171 -9.274 186 HE1 TYR 31 HE1 TYR 31 -14.163 -1.006 -4.961 187 HE2 TYR 31 HE2 TYR 31 -15.271 -3.492 -8.285 188 HH TYR 31 HH TYR 31 -16.698 -1.783 -6.385 189 H TYR 32 H TYR 32 -8.835 0.441 -8.008 190 HA TYR 32 HA TYR 32 -7.257 0.268 -10.558 191 1HB TYR 32 2HB TYR 32 -6.882 2.290 -8.336 192 2HB TYR 32 1HB TYR 32 -6.278 2.371 -9.987 193 HD1 TYR 32 HD1 TYR 32 -9.147 2.905 -7.796 194 HD2 TYR 32 HD2 TYR 32 -7.826 2.814 -11.884 195 HE1 TYR 32 HE1 TYR 32 -11.208 4.096 -8.489 196 HE2 TYR 32 HE2 TYR 32 -9.889 4.008 -12.578 197 HH TYR 32 HH TYR 32 -12.227 5.180 -10.179 198 H ILE 33 H ILE 33 -5.713 -1.307 -10.282 199 HA ILE 33 HA ILE 33 -4.719 -1.909 -7.540 200 HB ILE 33 HB ILE 33 -5.505 -3.774 -8.861 201 1HG1 ILE 33 2HG1 ILE 33 -3.374 -5.098 -9.109 202 2HG1 ILE 33 1HG1 ILE 33 -2.475 -3.611 -8.803 203 1HG2 ILE 33 1HG2 ILE 33 -5.475 -3.430 -11.103 204 2HG2 ILE 33 2HG2 ILE 33 -3.817 -4.027 -11.037 205 3HG2 ILE 33 3HG2 ILE 33 -4.131 -2.293 -10.993 206 1HD1 ILE 33 1HD1 ILE 33 -4.593 -4.610 -6.897 207 2HD1 ILE 33 2HD1 ILE 33 -3.325 -3.423 -6.592 208 3HD1 ILE 33 3HD1 ILE 33 -2.913 -5.128 -6.776 209 H ALA 34 H ALA 34 -2.631 -1.397 -6.925 210 HA ALA 34 HA ALA 34 -0.613 -0.741 -9.005 211 1HB ALA 34 1HB ALA 34 -2.203 1.221 -7.972 212 2HB ALA 34 2HB ALA 34 -0.552 1.501 -8.526 213 3HB ALA 34 3HB ALA 34 -0.875 1.239 -6.811 214 H GLN 35 H GLN 35 1.529 -0.983 -8.224 215 HA GLN 35 HA GLN 35 1.820 -2.555 -5.755 216 1HB GLN 35 2HB GLN 35 2.979 -3.005 -7.943 217 2HB GLN 35 1HB GLN 35 3.868 -1.496 -7.732 218 1HG GLN 35 2HG GLN 35 5.330 -2.478 -6.330 219 2HG GLN 35 1HG GLN 35 4.020 -3.108 -5.330 220 1HE2 GLN 35 1HE2 GLN 35 6.524 -4.050 -7.417 221 2HE2 GLN 35 2HE2 GLN 35 5.983 -5.624 -7.757 222 H CYS 36 H CYS 36 3.333 -1.868 -4.027 223 HA CYS 36 HA CYS 36 4.047 1.018 -4.003 224 1HB CYS 36 2HB CYS 36 1.675 0.052 -2.938 225 2HB CYS 36 1HB CYS 36 2.737 0.167 -1.537 226 H ALA 37 H ALA 37 5.113 1.499 -1.763 227 HA ALA 37 HA ALA 37 6.413 -0.699 -0.363 228 1HB ALA 37 1HB ALA 37 7.641 -0.781 -2.469 229 2HB ALA 37 2HB ALA 37 8.698 -0.094 -1.237 230 3HB ALA 37 3HB ALA 37 7.918 0.960 -2.415 231 HA PRO 38 HA PRO 38 6.740 2.632 2.487 232 1HB PRO 38 2HB PRO 38 8.751 1.712 4.096 233 2HB PRO 38 1HB PRO 38 7.098 1.074 4.142 234 1HG PRO 38 2HG PRO 38 9.519 -0.047 2.815 235 2HG PRO 38 1HG PRO 38 8.224 -0.883 3.691 236 1HD PRO 38 2HD PRO 38 8.362 -0.800 0.971 237 2HD PRO 38 1HD PRO 38 6.828 -0.919 1.863 238 H VAL 39 H VAL 39 8.273 4.327 3.189 239 HA VAL 39 HA VAL 39 10.924 4.423 1.898 240 HB VAL 39 HB VAL 39 9.227 5.011 0.141 241 1HG1 VAL 39 1HG1 VAL 39 7.706 6.719 0.413 242 2HG1 VAL 39 2HG1 VAL 39 8.758 7.625 1.503 243 3HG1 VAL 39 3HG1 VAL 39 7.857 6.230 2.101 244 1HG2 VAL 39 1HG2 VAL 39 10.920 6.242 -0.692 245 2HG2 VAL 39 2HG2 VAL 39 11.574 6.453 0.934 246 3HG2 VAL 39 3HG2 VAL 39 10.405 7.610 0.296 247 H GLY 40 H GLY 40 11.146 4.558 4.389 248 1HA GLY 40 2HA GLY 40 12.002 6.003 6.073 249 2HA GLY 40 1HA GLY 40 11.466 7.386 5.115 250 H GLY 41 H GLY 41 9.347 4.704 5.910 251 1HA GLY 41 2HA GLY 41 7.689 4.595 7.646 252 2HA GLY 41 1HA GLY 41 8.055 6.269 8.065 253 H GLN 42 H GLN 42 7.951 6.895 5.065 254 HA GLN 42 HA GLN 42 5.067 7.513 5.012 255 1HB GLN 42 2HB GLN 42 7.528 8.215 3.425 256 2HB GLN 42 1HB GLN 42 5.927 8.608 2.795 257 1HG GLN 42 2HG GLN 42 6.580 9.341 5.627 258 2HG GLN 42 1HG GLN 42 7.219 10.339 4.321 259 1HE2 GLN 42 1HE2 GLN 42 5.794 12.148 4.797 260 2HE2 GLN 42 2HE2 GLN 42 4.124 12.069 4.502 261 H ASP 43 H ASP 43 4.133 7.283 2.590 262 HA ASP 43 HA ASP 43 4.649 4.451 1.740 263 1HB ASP 43 2HB ASP 43 2.422 5.335 2.877 264 2HB ASP 43 1HB ASP 43 2.077 5.907 1.244 265 H ALA 44 H ALA 44 5.119 4.138 -0.419 266 HA ALA 44 HA ALA 44 4.680 6.418 -2.310 267 1HB ALA 44 1HB ALA 44 7.112 4.815 -2.720 268 2HB ALA 44 2HB ALA 44 7.094 5.681 -1.184 269 3HB ALA 44 3HB ALA 44 6.918 6.568 -2.698 270 H CYS 45 H CYS 45 3.504 5.682 -4.034 271 HA CYS 45 HA CYS 45 3.566 2.754 -4.660 272 1HB CYS 45 2HB CYS 45 1.562 4.921 -4.618 273 2HB CYS 45 1HB CYS 45 1.455 3.869 -6.029 274 H ASN 46 H ASN 46 3.283 2.295 -7.084 275 HA ASN 46 HA ASN 46 4.940 4.232 -8.656 276 1HB ASN 46 2HB ASN 46 5.674 1.794 -7.980 277 2HB ASN 46 1HB ASN 46 4.625 1.324 -9.320 278 1HD2 ASN 46 1HD2 ASN 46 6.043 0.895 -11.040 279 2HD2 ASN 46 2HD2 ASN 46 7.268 1.948 -11.559 280 HA PRO 47 HA PRO 47 1.149 4.520 -10.997 281 1HB PRO 47 2HB PRO 47 2.028 6.442 -12.726 282 2HB PRO 47 1HB PRO 47 1.500 6.804 -11.070 283 1HG PRO 47 2HG PRO 47 4.259 6.533 -12.158 284 2HG PRO 47 1HG PRO 47 3.627 7.663 -10.950 285 1HD PRO 47 2HD PRO 47 5.075 5.429 -10.321 286 2HD PRO 47 1HD PRO 47 3.884 6.173 -9.231 287 H ALA 48 H ALA 48 4.315 4.578 -12.645 288 HA ALA 48 HA ALA 48 3.712 3.760 -15.204 289 1HB ALA 48 1HB ALA 48 5.868 2.155 -14.077 290 2HB ALA 48 2HB ALA 48 5.937 3.823 -13.512 291 3HB ALA 48 3HB ALA 48 5.957 3.477 -15.241 292 H THR 49 H THR 49 3.433 1.814 -12.289 293 HA THR 49 HA THR 49 2.566 -0.508 -13.977 294 HB THR 49 HB THR 49 3.209 -1.806 -11.908 295 HG1 THR 49 HG1 THR 49 4.734 -0.381 -10.610 296 1HG2 THR 49 1HG2 THR 49 5.075 -2.070 -13.132 297 2HG2 THR 49 2HG2 THR 49 5.757 -0.673 -12.298 298 3HG2 THR 49 3HG2 THR 49 4.899 -0.457 -13.823 299 H ALA 50 H ALA 50 0.403 0.682 -13.992 300 HA ALA 50 HA ALA 50 -1.196 -0.172 -11.623 301 1HB ALA 50 1HB ALA 50 -1.864 2.474 -12.756 302 2HB ALA 50 2HB ALA 50 -0.306 2.398 -11.933 303 3HB ALA 50 3HB ALA 50 -1.781 1.965 -11.070 304 H THR 51 H THR 51 -3.059 -1.162 -12.323 305 HA THR 51 HA THR 51 -4.014 -0.538 -15.101 306 HB THR 51 HB THR 51 -4.583 -2.967 -15.206 307 HG1 THR 51 HG1 THR 51 -4.565 -4.014 -13.407 308 1HG2 THR 51 1HG2 THR 51 -2.315 -1.941 -15.888 309 2HG2 THR 51 2HG2 THR 51 -2.387 -3.689 -15.672 310 3HG2 THR 51 3HG2 THR 51 -1.693 -2.672 -14.409 311 H SER 52 H SER 52 -6.164 0.020 -15.200 312 HA SER 52 HA SER 52 -7.789 -0.198 -12.712 313 1HB SER 52 2HB SER 52 -8.832 1.695 -13.510 314 2HB SER 52 1HB SER 52 -7.332 1.846 -14.417 315 HG SER 52 HG SER 52 -8.643 1.805 -16.070 316 H PHE 53 H PHE 53 -9.131 -1.967 -12.567 317 HA PHE 53 HA PHE 53 -10.226 -3.095 -15.132 318 1HB PHE 53 2HB PHE 53 -10.149 -5.260 -13.977 319 2HB PHE 53 1HB PHE 53 -8.562 -4.492 -13.925 320 HD1 PHE 53 HD1 PHE 53 -7.574 -3.797 -11.861 321 HD2 PHE 53 HD2 PHE 53 -11.641 -5.172 -11.962 322 HE1 PHE 53 HE1 PHE 53 -7.608 -3.878 -9.382 323 HE2 PHE 53 HE2 PHE 53 -11.676 -5.253 -9.483 324 HZ PHE 53 HZ PHE 53 -9.656 -4.606 -8.195 325 H THR 54 H THR 54 -12.375 -4.192 -14.842 326 HA THR 54 HA THR 54 -14.009 -2.960 -12.644 327 HB THR 54 HB THR 54 -14.453 -3.119 -15.628 328 HG1 THR 54 HG1 THR 54 -13.733 -1.179 -15.312 329 1HG2 THR 54 1HG2 THR 54 -16.743 -2.448 -15.322 330 2HG2 THR 54 2HG2 THR 54 -16.528 -2.313 -13.577 331 3HG2 THR 54 3HG2 THR 54 -16.489 -3.897 -14.350 332 H THR 55 H THR 55 -15.808 -4.279 -11.959 333 HA THR 55 HA THR 55 -15.404 -7.158 -12.319 334 HB THR 55 HB THR 55 -17.627 -7.042 -10.891 335 HG1 THR 55 HG1 THR 55 -18.169 -4.949 -11.214 336 1HG2 THR 55 1HG2 THR 55 -16.120 -7.508 -9.290 337 2HG2 THR 55 2HG2 THR 55 -15.680 -5.803 -9.194 338 3HG2 THR 55 3HG2 THR 55 -14.838 -6.870 -10.322 339 H ASP 56 H ASP 56 -16.953 -8.607 -13.267 340 HA ASP 56 HA ASP 56 -18.391 -7.486 -15.578 341 1HB ASP 56 2HB ASP 56 -17.088 -9.872 -14.862 342 2HB ASP 56 1HB ASP 56 -18.791 -10.309 -15.005 343 H ALA 57 H ALA 57 -20.582 -9.222 -15.724 344 HA ALA 57 HA ALA 57 -22.514 -7.904 -14.054 345 1HB ALA 57 1HB ALA 57 -24.046 -9.248 -15.257 346 2HB ALA 57 2HB ALA 57 -22.885 -10.566 -15.422 347 3HB ALA 57 3HB ALA 57 -22.686 -9.089 -16.366 348 H SER 58 H SER 58 -20.602 -10.797 -13.675 349 HA SER 58 HA SER 58 -22.237 -11.854 -11.468 350 1HB SER 58 2HB SER 58 -20.956 -13.184 -13.217 351 2HB SER 58 1HB SER 58 -19.476 -12.665 -12.415 352 HG SER 58 HG SER 58 -20.670 -14.749 -11.781 353 H GLY 59 H GLY 59 -20.216 -9.277 -11.669 354 1HA GLY 59 2HA GLY 59 -18.949 -8.079 -10.094 355 2HA GLY 59 1HA GLY 59 -19.867 -8.950 -8.874 356 H ALA 60 H ALA 60 -17.337 -9.784 -11.252 357 HA ALA 60 HA ALA 60 -15.456 -10.592 -9.167 358 1HB ALA 60 1HB ALA 60 -17.269 -12.529 -10.567 359 2HB ALA 60 2HB ALA 60 -16.719 -12.530 -8.890 360 3HB ALA 60 3HB ALA 60 -15.629 -13.047 -10.176 361 H ALA 61 H ALA 61 -13.411 -10.407 -10.092 362 HA ALA 61 HA ALA 61 -13.200 -10.746 -13.063 363 1HB ALA 61 1HB ALA 61 -13.352 -8.352 -12.178 364 2HB ALA 61 2HB ALA 61 -11.957 -8.711 -13.194 365 3HB ALA 61 3HB ALA 61 -11.775 -8.632 -11.442 366 H SER 62 H SER 62 -10.979 -11.138 -13.788 367 HA SER 62 HA SER 62 -8.961 -11.975 -11.810 368 1HB SER 62 2HB SER 62 -10.419 -13.878 -13.669 369 2HB SER 62 1HB SER 62 -8.950 -14.302 -12.796 370 HG SER 62 HG SER 62 -10.251 -14.763 -11.214 371 H PHE 63 H PHE 63 -6.975 -11.444 -12.729 372 HA PHE 63 HA PHE 63 -6.547 -11.799 -15.624 373 1HB PHE 63 2HB PHE 63 -6.132 -9.386 -15.980 374 2HB PHE 63 1HB PHE 63 -7.788 -9.671 -15.435 375 HD1 PHE 63 HD1 PHE 63 -4.815 -7.835 -14.833 376 HD2 PHE 63 HD2 PHE 63 -8.166 -9.626 -12.827 377 HE1 PHE 63 HE1 PHE 63 -4.410 -6.380 -12.867 378 HE2 PHE 63 HE2 PHE 63 -7.761 -8.168 -10.859 379 HZ PHE 63 HZ PHE 63 -5.884 -6.546 -10.878 380 H SER 64 H SER 64 -4.271 -10.777 -16.155 381 HA SER 64 HA SER 64 -2.428 -11.617 -13.965 382 1HB SER 64 2HB SER 64 -0.843 -11.484 -16.064 383 2HB SER 64 1HB SER 64 -1.980 -12.821 -15.917 384 HG SER 64 HG SER 64 -3.278 -11.885 -17.391 385 H PHE 65 H PHE 65 -1.286 -10.062 -12.898 386 HA PHE 65 HA PHE 65 -1.099 -7.329 -14.089 387 1HB PHE 65 2HB PHE 65 -2.396 -7.352 -12.082 388 2HB PHE 65 1HB PHE 65 -1.241 -8.413 -11.275 389 HD1 PHE 65 HD1 PHE 65 -1.599 -5.017 -12.784 390 HD2 PHE 65 HD2 PHE 65 0.561 -7.524 -10.047 391 HE1 PHE 65 HE1 PHE 65 -0.366 -3.038 -11.949 392 HE2 PHE 65 HE2 PHE 65 1.795 -5.548 -9.212 393 HZ PHE 65 HZ PHE 65 1.336 -3.301 -10.158 394 H VAL 66 H VAL 66 0.971 -6.589 -14.531 395 HA VAL 66 HA VAL 66 3.255 -8.357 -13.985 396 HB VAL 66 HB VAL 66 3.191 -5.586 -15.181 397 1HG1 VAL 66 1HG1 VAL 66 5.100 -6.783 -16.532 398 2HG1 VAL 66 2HG1 VAL 66 5.124 -7.882 -15.154 399 3HG1 VAL 66 3HG1 VAL 66 5.437 -6.163 -14.916 400 1HG2 VAL 66 1HG2 VAL 66 2.677 -6.537 -17.294 401 2HG2 VAL 66 2HG2 VAL 66 1.547 -7.312 -16.184 402 3HG2 VAL 66 3HG2 VAL 66 2.989 -8.174 -16.721 403 H VAL 67 H VAL 67 5.214 -7.572 -12.935 404 HA VAL 67 HA VAL 67 4.749 -5.414 -10.906 405 HB VAL 67 HB VAL 67 6.060 -6.980 -9.365 406 1HG1 VAL 67 1HG1 VAL 67 3.293 -7.089 -10.243 407 2HG1 VAL 67 2HG1 VAL 67 3.952 -7.246 -8.614 408 3HG1 VAL 67 3HG1 VAL 67 3.835 -8.662 -9.658 409 1HG2 VAL 67 1HG2 VAL 67 6.749 -9.007 -10.110 410 2HG2 VAL 67 2HG2 VAL 67 6.456 -8.376 -11.730 411 3HG2 VAL 67 3HG2 VAL 67 5.212 -9.321 -10.913 412 H ARG 68 H ARG 68 7.026 -4.915 -9.848 413 HA ARG 68 HA ARG 68 9.262 -5.240 -11.781 414 1HB ARG 68 2HB ARG 68 7.588 -2.902 -11.447 415 2HB ARG 68 1HB ARG 68 9.263 -2.525 -11.040 416 1HG ARG 68 2HG ARG 68 10.044 -3.046 -13.168 417 2HG ARG 68 1HG ARG 68 8.686 -4.118 -13.513 418 1HD ARG 68 2HD ARG 68 7.286 -2.375 -14.121 419 2HD ARG 68 1HD ARG 68 8.105 -1.215 -13.056 420 HE ARG 68 HE ARG 68 9.494 -2.295 -15.470 421 1HH1 ARG 68 1HH1 ARG 68 10.029 -0.109 -13.126 422 2HH1 ARG 68 2HH1 ARG 68 10.129 1.293 -14.139 423 1HH2 ARG 68 1HH2 ARG 68 8.898 -0.328 -16.948 424 2HH2 ARG 68 2HH2 ARG 68 9.489 1.168 -16.306 425 H LYS 69 H LYS 69 10.520 -6.311 -10.247 426 HA LYS 69 HA LYS 69 10.794 -6.082 -7.545 427 1HB LYS 69 2HB LYS 69 12.099 -7.542 -9.042 428 2HB LYS 69 1HB LYS 69 13.031 -6.147 -9.587 429 1HG LYS 69 2HG LYS 69 13.956 -5.807 -7.391 430 2HG LYS 69 1HG LYS 69 12.871 -7.011 -6.693 431 1HD LYS 69 2HD LYS 69 15.005 -8.080 -6.981 432 2HD LYS 69 1HD LYS 69 13.937 -8.715 -8.232 433 1HE LYS 69 2HE LYS 69 15.322 -7.951 -9.849 434 2HE LYS 69 1HE LYS 69 15.232 -6.308 -9.184 435 1HZ LYS 69 1HZ LYS 69 17.120 -8.464 -8.540 436 2HZ LYS 69 2HZ LYS 69 16.721 -7.336 -7.335 437 3HZ LYS 69 3HZ LYS 69 17.421 -6.817 -8.794 438 H SER 70 H SER 70 11.773 -3.615 -9.874 439 HA SER 70 HA SER 70 12.507 -1.848 -7.558 440 1HB SER 70 2HB SER 70 14.247 -0.983 -9.344 441 2HB SER 70 1HB SER 70 14.603 -2.428 -8.402 442 HG SER 70 HG SER 70 14.660 -3.451 -10.225 443 H TYR 71 H TYR 71 11.687 0.243 -7.744 444 HA TYR 71 HA TYR 71 10.937 1.426 -10.297 445 1HB TYR 71 2HB TYR 71 8.566 1.253 -10.093 446 2HB TYR 71 1HB TYR 71 9.166 -0.362 -9.725 447 HD1 TYR 71 HD1 TYR 71 8.158 2.865 -8.097 448 HD2 TYR 71 HD2 TYR 71 8.638 -1.387 -7.674 449 HE1 TYR 71 HE1 TYR 71 7.066 2.958 -5.870 450 HE2 TYR 71 HE2 TYR 71 7.551 -1.292 -5.448 451 HH TYR 71 HH TYR 71 5.993 1.606 -4.284 452 H THR 72 H THR 72 10.181 3.645 -9.980 453 HA THR 72 HA THR 72 11.251 4.856 -7.542 454 HB THR 72 HB THR 72 9.735 6.074 -9.848 455 HG1 THR 72 HG1 THR 72 11.560 4.802 -10.480 456 1HG2 THR 72 1HG2 THR 72 11.678 7.836 -9.044 457 2HG2 THR 72 2HG2 THR 72 11.185 7.109 -7.513 458 3HG2 THR 72 3HG2 THR 72 9.991 7.904 -8.538 459 H GLY 73 H GLY 73 10.055 5.391 -5.757 460 1HA GLY 73 2HA GLY 73 7.195 4.802 -5.710 461 2HA GLY 73 1HA GLY 73 8.154 5.390 -4.353 462 H SER 74 H SER 74 5.554 6.388 -5.176 463 HA SER 74 HA SER 74 6.086 9.220 -5.086 464 1HB SER 74 2HB SER 74 5.678 7.839 -7.698 465 2HB SER 74 1HB SER 74 4.924 9.417 -7.489 466 HG SER 74 HG SER 74 6.830 10.312 -7.554 467 H THR 75 H THR 75 4.424 9.519 -3.626 468 HA THR 75 HA THR 75 2.011 8.169 -3.346 469 HB THR 75 HB THR 75 1.257 10.286 -2.277 470 HG1 THR 75 HG1 THR 75 1.953 11.889 -3.520 471 1HG2 THR 75 1HG2 THR 75 3.833 8.967 -1.822 472 2HG2 THR 75 2HG2 THR 75 2.571 9.396 -0.667 473 3HG2 THR 75 3HG2 THR 75 3.762 10.600 -1.160 474 HA PRO 76 HA PRO 76 -0.523 9.230 -6.750 475 1HB PRO 76 2HB PRO 76 -2.978 9.557 -5.583 476 2HB PRO 76 1HB PRO 76 -2.210 7.972 -5.800 477 1HG PRO 76 2HG PRO 76 -2.389 9.669 -3.362 478 2HG PRO 76 1HG PRO 76 -2.477 7.907 -3.522 479 1HD PRO 76 2HD PRO 76 -0.244 9.248 -2.674 480 2HD PRO 76 1HD PRO 76 -0.203 7.659 -3.470 481 H GLU 77 H GLU 77 -2.512 11.105 -4.560 482 HA GLU 77 HA GLU 77 -3.295 13.366 -5.287 483 1HB GLU 77 2HB GLU 77 -1.110 12.983 -3.309 484 2HB GLU 77 1HB GLU 77 -1.502 14.649 -3.737 485 1HG GLU 77 2HG GLU 77 -3.390 14.582 -2.515 486 2HG GLU 77 1HG GLU 77 -3.925 13.119 -3.343 487 H GLY 78 H GLY 78 -0.001 14.402 -4.829 488 1HA GLY 78 2HA GLY 78 0.756 14.612 -7.597 489 2HA GLY 78 1HA GLY 78 0.061 16.133 -7.038 490 H THR 79 H THR 79 2.441 13.697 -5.928 491 HA THR 79 HA THR 79 4.507 15.727 -5.601 492 HB THR 79 HB THR 79 3.048 16.217 -3.686 493 HG1 THR 79 HG1 THR 79 5.541 15.008 -3.277 494 1HG2 THR 79 1HG2 THR 79 2.388 14.591 -2.105 495 2HG2 THR 79 2HG2 THR 79 3.581 13.427 -2.680 496 3HG2 THR 79 3HG2 THR 79 2.163 13.795 -3.662 497 HA PRO 80 HA PRO 80 6.560 11.811 -6.084 498 1HB PRO 80 2HB PRO 80 9.101 12.806 -6.233 499 2HB PRO 80 1HB PRO 80 7.954 12.875 -7.586 500 1HG PRO 80 2HG PRO 80 8.743 15.007 -5.669 501 2HG PRO 80 1HG PRO 80 8.382 15.120 -7.399 502 1HD PRO 80 2HD PRO 80 6.627 15.840 -5.415 503 2HD PRO 80 1HD PRO 80 6.132 15.329 -7.044 504 H VAL 81 H VAL 81 8.302 10.616 -4.857 505 HA VAL 81 HA VAL 81 8.663 11.681 -2.084 506 HB VAL 81 HB VAL 81 7.922 8.918 -3.041 507 1HG1 VAL 81 1HG1 VAL 81 8.487 8.064 -1.017 508 2HG1 VAL 81 2HG1 VAL 81 7.869 9.474 -0.157 509 3HG1 VAL 81 3HG1 VAL 81 9.490 9.506 -0.852 510 1HG2 VAL 81 1HG2 VAL 81 6.474 11.035 -1.428 511 2HG2 VAL 81 2HG2 VAL 81 5.906 9.373 -1.588 512 3HG2 VAL 81 3HG2 VAL 81 6.017 10.407 -3.013 513 H GLY 82 H GLY 82 9.727 8.821 -3.917 514 1HA GLY 82 2HA GLY 82 12.448 9.648 -4.214 515 2HA GLY 82 1HA GLY 82 12.303 8.664 -2.757 516 H SER 83 H SER 83 13.813 7.309 -4.246 517 HA SER 83 HA SER 83 12.347 5.759 -6.303 518 1HB SER 83 2HB SER 83 14.720 4.710 -6.427 519 2HB SER 83 1HB SER 83 14.539 6.388 -6.929 520 HG SER 83 HG SER 83 15.904 5.308 -4.819 521 H VAL 84 H VAL 84 12.335 3.369 -6.165 522 HA VAL 84 HA VAL 84 12.571 2.323 -3.372 523 HB VAL 84 HB VAL 84 10.262 2.340 -5.295 524 1HG1 VAL 84 1HG1 VAL 84 10.480 -0.023 -5.011 525 2HG1 VAL 84 2HG1 VAL 84 9.246 0.483 -3.856 526 3HG1 VAL 84 3HG1 VAL 84 10.887 0.151 -3.303 527 1HG2 VAL 84 1HG2 VAL 84 9.089 2.532 -2.993 528 2HG2 VAL 84 2HG2 VAL 84 10.051 3.905 -3.540 529 3HG2 VAL 84 3HG2 VAL 84 10.710 2.785 -2.348 530 H ASP 85 H ASP 85 13.211 0.133 -3.253 531 HA ASP 85 HA ASP 85 13.704 -1.314 -5.812 532 1HB ASP 85 2HB ASP 85 15.803 -1.120 -3.654 533 2HB ASP 85 1HB ASP 85 16.010 -1.569 -5.345 534 H CYS 86 H CYS 86 12.059 -2.787 -5.152 535 HA CYS 86 HA CYS 86 12.026 -4.062 -2.557 536 1HB CYS 86 2HB CYS 86 10.756 -4.832 -5.197 537 2HB CYS 86 1HB CYS 86 10.246 -5.370 -3.599 538 H ALA 87 H ALA 87 14.614 -4.390 -4.223 539 HA ALA 87 HA ALA 87 14.751 -7.088 -5.186 540 1HB ALA 87 1HB ALA 87 16.857 -5.248 -3.991 541 2HB ALA 87 2HB ALA 87 16.383 -5.293 -5.691 542 3HB ALA 87 3HB ALA 87 17.193 -6.680 -4.965 543 H THR 88 H THR 88 15.203 -5.550 -2.078 544 HA THR 88 HA THR 88 14.959 -8.162 -0.703 545 HB THR 88 HB THR 88 17.380 -7.647 -1.208 546 HG1 THR 88 HG1 THR 88 16.704 -7.472 1.538 547 1HG2 THR 88 1HG2 THR 88 17.208 -5.206 -1.104 548 2HG2 THR 88 2HG2 THR 88 18.409 -5.783 0.051 549 3HG2 THR 88 3HG2 THR 88 16.811 -5.296 0.613 550 H ALA 89 H ALA 89 13.625 -5.361 -1.104 551 HA ALA 89 HA ALA 89 13.510 -4.405 1.702 552 1HB ALA 89 1HB ALA 89 12.109 -3.234 -0.691 553 2HB ALA 89 2HB ALA 89 13.846 -3.008 -0.472 554 3HB ALA 89 3HB ALA 89 12.719 -2.403 0.742 555 H ALA 90 H ALA 90 11.094 -3.514 2.106 556 HA ALA 90 HA ALA 90 9.366 -5.923 2.035 557 1HB ALA 90 1HB ALA 90 9.645 -4.845 4.156 558 2HB ALA 90 2HB ALA 90 8.019 -4.431 3.612 559 3HB ALA 90 3HB ALA 90 9.326 -3.256 3.461 560 H CYS 91 H CYS 91 8.795 -5.773 -0.270 561 HA CYS 91 HA CYS 91 7.327 -3.386 -1.210 562 1HB CYS 91 2HB CYS 91 8.935 -5.294 -2.333 563 2HB CYS 91 1HB CYS 91 7.341 -5.899 -2.767 564 H ASN 92 H ASN 92 5.094 -3.665 -2.114 565 HA ASN 92 HA ASN 92 3.554 -6.005 -1.178 566 1HB ASN 92 2HB ASN 92 3.108 -3.187 -0.150 567 2HB ASN 92 1HB ASN 92 2.075 -4.572 0.205 568 1HD2 ASN 92 1HD2 ASN 92 2.872 -6.182 1.710 569 2HD2 ASN 92 2HD2 ASN 92 4.279 -5.936 2.628 570 H LEU 93 H LEU 93 1.075 -5.389 -1.612 571 HA LEU 93 HA LEU 93 0.794 -3.708 -4.057 572 1HB LEU 93 2HB LEU 93 1.352 -5.963 -4.820 573 2HB LEU 93 1HB LEU 93 0.119 -6.655 -3.767 574 HG LEU 93 HG LEU 93 -1.545 -5.153 -5.046 575 1HD1 LEU 93 1HD1 LEU 93 -0.355 -3.684 -6.354 576 2HD1 LEU 93 2HD1 LEU 93 -0.502 -5.003 -7.516 577 3HD1 LEU 93 3HD1 LEU 93 0.983 -4.809 -6.586 578 1HD2 LEU 93 1HD2 LEU 93 -1.604 -7.539 -5.349 579 2HD2 LEU 93 2HD2 LEU 93 -0.121 -7.515 -6.303 580 3HD2 LEU 93 3HD2 LEU 93 -1.605 -6.828 -6.964 581 H GLY 94 H GLY 94 -1.297 -2.743 -4.142 582 1HA GLY 94 2HA GLY 94 -3.411 -3.866 -2.387 583 2HA GLY 94 1HA GLY 94 -2.880 -2.224 -2.030 584 H ALA 95 H ALA 95 -5.526 -2.828 -2.769 585 HA ALA 95 HA ALA 95 -5.764 -1.213 -5.260 586 1HB ALA 95 1HB ALA 95 -6.873 -3.988 -4.756 587 2HB ALA 95 2HB ALA 95 -5.816 -3.476 -6.071 588 3HB ALA 95 3HB ALA 95 -7.493 -2.936 -6.030 589 H GLY 96 H GLY 96 -8.605 -1.553 -5.460 590 1HA GLY 96 2HA GLY 96 -10.578 -1.384 -3.947 591 2HA GLY 96 1HA GLY 96 -9.536 -0.536 -2.804 592 H ASN 97 H ASN 97 -11.595 0.954 -3.190 593 HA ASN 97 HA ASN 97 -10.794 2.958 -5.250 594 1HB ASN 97 2HB ASN 97 -13.102 1.293 -5.165 595 2HB ASN 97 1HB ASN 97 -13.630 2.945 -4.847 596 1HD2 ASN 97 1HD2 ASN 97 -14.255 3.899 -6.788 597 2HD2 ASN 97 2HD2 ASN 97 -13.440 3.724 -8.266 598 H SER 98 H SER 98 -12.959 4.730 -4.601 599 HA SER 98 HA SER 98 -11.877 5.977 -2.180 600 1HB SER 98 2HB SER 98 -14.167 6.677 -4.034 601 2HB SER 98 1HB SER 98 -13.475 7.757 -2.826 602 HG SER 98 HG SER 98 -11.884 8.144 -4.141 603 H GLY 99 H GLY 99 -14.183 3.581 -2.683 604 1HA GLY 99 2HA GLY 99 -15.197 3.866 0.038 605 2HA GLY 99 1HA GLY 99 -16.424 4.175 -1.189 606 H LEU 100 H LEU 100 -13.902 1.742 -0.453 607 HA LEU 100 HA LEU 100 -15.742 -0.451 -0.399 608 1HB LEU 100 2HB LEU 100 -15.462 0.569 -2.905 609 2HB LEU 100 1HB LEU 100 -14.174 -0.637 -2.905 610 HG LEU 100 HG LEU 100 -16.815 -1.465 -1.794 611 1HD1 LEU 100 1HD1 LEU 100 -16.299 -0.721 -4.650 612 2HD1 LEU 100 2HD1 LEU 100 -17.780 -0.567 -3.704 613 3HD1 LEU 100 3HD1 LEU 100 -17.286 -2.145 -4.315 614 1HD2 LEU 100 1HD2 LEU 100 -14.579 -2.709 -3.406 615 2HD2 LEU 100 2HD2 LEU 100 -16.108 -3.541 -3.128 616 3HD2 LEU 100 3HD2 LEU 100 -15.082 -3.101 -1.762 617 H ASP 101 H ASP 101 -12.459 0.671 -1.073 618 HA ASP 101 HA ASP 101 -10.358 -0.425 -0.739 619 1HB ASP 101 2HB ASP 101 -10.224 -1.037 1.709 620 2HB ASP 101 1HB ASP 101 -10.930 0.550 1.409 621 H LEU 102 H LEU 102 -10.354 -2.236 -2.183 622 HA LEU 102 HA LEU 102 -11.764 -4.701 -1.645 623 1HB LEU 102 2HB LEU 102 -9.417 -3.916 -3.393 624 2HB LEU 102 1HB LEU 102 -10.146 -5.521 -3.433 625 HG LEU 102 HG LEU 102 -11.777 -3.004 -3.800 626 1HD1 LEU 102 1HD1 LEU 102 -11.666 -3.664 -6.269 627 2HD1 LEU 102 2HD1 LEU 102 -10.293 -4.681 -5.833 628 3HD1 LEU 102 3HD1 LEU 102 -10.206 -2.936 -5.598 629 1HD2 LEU 102 1HD2 LEU 102 -13.051 -4.940 -5.159 630 2HD2 LEU 102 2HD2 LEU 102 -13.305 -4.696 -3.431 631 3HD2 LEU 102 3HD2 LEU 102 -12.204 -5.954 -3.992 632 H GLY 103 H GLY 103 -8.310 -4.932 -2.154 633 1HA GLY 103 2HA GLY 103 -7.693 -5.586 0.625 634 2HA GLY 103 1HA GLY 103 -7.759 -6.999 -0.430 635 H HIS 104 H HIS 104 -5.361 -6.797 0.508 636 HA HIS 104 HA HIS 104 -3.748 -5.663 -1.722 637 1HB HIS 104 2HB HIS 104 -2.252 -4.608 -0.013 638 2HB HIS 104 1HB HIS 104 -3.878 -3.925 -0.011 639 HD1 HIS 104 HD1 HIS 104 -1.770 -6.451 1.889 640 HD2 HIS 104 HD2 HIS 104 -5.238 -4.198 2.408 641 HE1 HIS 104 HE1 HIS 104 -2.480 -6.772 4.300 642 H VAL 105 H VAL 105 -1.953 -6.952 -2.175 643 HA VAL 105 HA VAL 105 -1.509 -9.305 -0.368 644 HB VAL 105 HB VAL 105 -1.060 -8.918 -3.345 645 1HG1 VAL 105 1HG1 VAL 105 -0.041 -10.949 -3.404 646 2HG1 VAL 105 2HG1 VAL 105 -1.120 -11.628 -2.186 647 3HG1 VAL 105 3HG1 VAL 105 0.265 -10.659 -1.692 648 1HG2 VAL 105 1HG2 VAL 105 -3.445 -9.030 -2.680 649 2HG2 VAL 105 2HG2 VAL 105 -3.127 -10.536 -1.819 650 3HG2 VAL 105 3HG2 VAL 105 -2.961 -10.472 -3.573 651 H ALA 106 H ALA 106 0.552 -9.588 0.457 652 HA ALA 106 HA ALA 106 2.551 -7.483 0.007 653 1HB ALA 106 1HB ALA 106 3.283 -9.909 1.513 654 2HB ALA 106 2HB ALA 106 1.800 -9.139 2.078 655 3HB ALA 106 3HB ALA 106 3.306 -8.223 2.028 656 H LEU 107 H LEU 107 4.514 -7.757 -1.112 657 HA LEU 107 HA LEU 107 4.796 -10.351 -2.606 658 1HB LEU 107 2HB LEU 107 5.688 -7.550 -3.372 659 2HB LEU 107 1HB LEU 107 5.719 -8.981 -4.404 660 HG LEU 107 HG LEU 107 3.256 -7.626 -3.271 661 1HD1 LEU 107 1HD1 LEU 107 2.732 -7.267 -5.667 662 2HD1 LEU 107 2HD1 LEU 107 4.269 -8.012 -6.106 663 3HD1 LEU 107 3HD1 LEU 107 4.250 -6.491 -5.215 664 1HD2 LEU 107 1HD2 LEU 107 2.713 -9.923 -3.254 665 2HD2 LEU 107 2HD2 LEU 107 3.671 -10.252 -4.698 666 3HD2 LEU 107 3HD2 LEU 107 2.142 -9.383 -4.834 667 H THR 108 H THR 108 7.145 -10.786 -3.227 668 HA THR 108 HA THR 108 9.213 -9.544 -1.552 669 HB THR 108 HB THR 108 8.136 -12.324 -1.117 670 HG1 THR 108 HG1 THR 108 7.150 -10.955 0.217 671 1HG2 THR 108 1HG2 THR 108 10.704 -12.165 -1.282 672 2HG2 THR 108 2HG2 THR 108 10.033 -12.888 0.179 673 3HG2 THR 108 3HG2 THR 108 10.608 -11.221 0.204 674 H PHE 109 H PHE 109 10.858 -9.376 -3.023 675 HA PHE 109 HA PHE 109 11.086 -11.362 -5.207 676 1HB PHE 109 2HB PHE 109 12.351 -8.702 -4.526 677 2HB PHE 109 1HB PHE 109 12.876 -9.666 -5.908 678 HD1 PHE 109 HD1 PHE 109 9.940 -7.961 -4.381 679 HD2 PHE 109 HD2 PHE 109 11.605 -9.751 -7.914 680 HE1 PHE 109 HE1 PHE 109 8.043 -7.084 -5.718 681 HE2 PHE 109 HE2 PHE 109 9.712 -8.876 -9.252 682 HZ PHE 109 HZ PHE 109 7.928 -7.543 -8.160 683 H GLY 110 H GLY 110 13.186 -12.376 -5.651 684 1HA GLY 110 2HA GLY 110 15.169 -12.379 -3.462 685 2HA GLY 110 1HA GLY 110 14.366 -13.917 -3.786 686 2H2' ROM 111 2H2' ROM 111 -8.414 5.189 -6.190 687 2H3' ROM 111 2H3' ROM 111 -7.826 6.454 -8.441 688 H'1 ROM 111 H'1 ROM 111 -3.885 3.603 -8.574 689 3H18 ROM 111 3H18 ROM 111 -4.867 0.287 1.363 690 2H18 ROM 111 2H18 ROM 111 -5.086 -0.518 -0.116 691 2H23 ROM 111 2H23 ROM 111 -5.926 6.167 -0.093 692 H1' ROM 111 H1' ROM 111 -8.142 7.364 -5.217 693 H2' ROM 111 H2' ROM 111 -10.898 6.552 -6.084 694 H3' ROM 111 H3' ROM 111 -9.900 6.534 -8.318 695 H4' ROM 111 H4' ROM 111 -10.941 8.596 -7.531 696 1H6B ROM 111 1H6B ROM 111 -10.828 10.767 -5.877 697 3H6B ROM 111 3H6B ROM 111 -9.200 11.445 -5.932 698 2H6B ROM 111 2H6B ROM 111 -10.053 11.068 -7.431 699 1H6A ROM 111 1H6A ROM 111 -7.513 9.914 -7.440 700 3H6A ROM 111 3H6A ROM 111 -7.402 10.080 -5.690 701 2H6A ROM 111 2H6A ROM 111 -7.330 8.486 -6.429 702 1H4B ROM 111 1H4B ROM 111 -11.563 9.479 -9.237 703 3H4B ROM 111 3H4B ROM 111 -10.506 9.904 -10.594 704 2H4B ROM 111 2H4B ROM 111 -10.779 8.200 -10.184 705 1H4A ROM 111 1H4A ROM 111 -8.131 9.222 -10.421 706 3H4A ROM 111 3H4A ROM 111 -7.524 8.696 -8.843 707 2H4A ROM 111 2H4A ROM 111 -8.573 7.627 -9.788 708 H'8 ROM 111 H'8 ROM 111 -0.481 6.265 -6.815 709 H'6 ROM 111 H'6 ROM 111 -1.415 7.896 -10.647 710 1H3A ROM 111 1H3A ROM 111 -3.920 4.016 -13.490 711 2H3A ROM 111 2H3A ROM 111 -5.192 5.314 -13.142 712 1H7A ROM 111 1H7A ROM 111 1.721 8.078 -9.660 713 3H7A ROM 111 3H7A ROM 111 2.014 8.117 -7.922 714 2H7A ROM 111 2H7A ROM 111 1.364 6.658 -8.673 715 H3 ROM 111 H3 ROM 111 -4.857 5.833 -5.124 716 H6 ROM 111 H6 ROM 111 -7.683 2.282 -3.192 717 H5 ROM 111 H5 ROM 111 -5.673 1.657 -4.514 718 H12 ROM 111 H12 ROM 111 -5.463 7.972 -3.541 719 H8 ROM 111 H8 ROM 111 -9.453 4.561 -3.008 720 H13 ROM 111 H13 ROM 111 -4.086 2.605 -6.406 721 H10 ROM 111 H10 ROM 111 -8.870 7.565 -1.058 722 H11 ROM 111 H11 ROM 111 -6.679 8.936 -1.488 723 2H14 ROM 111 2H14 ROM 111 -2.201 1.962 -5.208 724 1H14 ROM 111 1H14 ROM 111 -2.229 3.411 -4.195 725 2H17 ROM 111 2H17 ROM 111 -4.152 0.152 -2.111 726 1H17 ROM 111 1H17 ROM 111 -2.553 0.108 -1.370 727 H18 ROM 111 H18 ROM 111 -3.248 1.769 0.293 728 H20 ROM 111 H20 ROM 111 -6.620 0.609 -0.477 729 H24 ROM 111 H24 ROM 111 -3.983 3.962 -0.562 730 4H18 ROM 111 4H18 ROM 111 -3.576 -0.562 0.658 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -17.660 -5.822 4.790 2 2H ALA 1 2H ALA 1 -16.743 -7.246 4.904 3 3H ALA 1 3H ALA 1 -17.961 -7.113 3.729 4 HA ALA 1 HA ALA 1 -16.658 -5.206 2.749 5 1HB ALA 1 1HB ALA 1 -14.605 -4.699 3.688 6 2HB ALA 1 2HB ALA 1 -14.341 -6.351 4.246 7 3HB ALA 1 3HB ALA 1 -15.434 -5.286 5.130 8 HA PRO 2 HA PRO 2 -15.623 -8.481 0.016 9 1HB PRO 2 2HB PRO 2 -14.132 -7.097 -1.817 10 2HB PRO 2 1HB PRO 2 -15.897 -6.967 -1.707 11 1HG PRO 2 2HG PRO 2 -13.799 -5.108 -0.725 12 2HG PRO 2 1HG PRO 2 -15.395 -4.757 -1.405 13 1HD PRO 2 2HD PRO 2 -14.810 -4.688 1.285 14 2HD PRO 2 1HD PRO 2 -16.437 -4.941 0.618 15 H ALA 3 H ALA 3 -13.165 -8.635 -1.450 16 HA ALA 3 HA ALA 3 -10.974 -8.529 0.528 17 1HB ALA 3 1HB ALA 3 -10.999 -11.175 -0.526 18 2HB ALA 3 2HB ALA 3 -12.628 -10.827 0.053 19 3HB ALA 3 3HB ALA 3 -11.252 -10.681 1.147 20 H PHE 4 H PHE 4 -8.977 -9.727 -0.619 21 HA PHE 4 HA PHE 4 -8.982 -9.457 -3.566 22 1HB PHE 4 2HB PHE 4 -8.658 -7.170 -2.827 23 2HB PHE 4 1HB PHE 4 -7.443 -7.674 -1.653 24 HD1 PHE 4 HD1 PHE 4 -5.201 -8.368 -2.372 25 HD2 PHE 4 HD2 PHE 4 -8.149 -7.047 -5.197 26 HE1 PHE 4 HE1 PHE 4 -3.433 -8.110 -4.098 27 HE2 PHE 4 HE2 PHE 4 -6.389 -6.790 -6.923 28 HZ PHE 4 HZ PHE 4 -4.028 -7.321 -6.375 29 H SER 5 H SER 5 -7.530 -10.985 -4.394 30 HA SER 5 HA SER 5 -5.215 -11.791 -2.710 31 1HB SER 5 2HB SER 5 -7.621 -13.421 -3.403 32 2HB SER 5 1HB SER 5 -6.063 -14.236 -3.293 33 HG SER 5 HG SER 5 -7.058 -14.217 -1.272 34 H VAL 6 H VAL 6 -3.560 -12.838 -3.893 35 HA VAL 6 HA VAL 6 -3.869 -12.834 -6.880 36 HB VAL 6 HB VAL 6 -2.506 -10.980 -5.910 37 1HG1 VAL 6 1HG1 VAL 6 -0.287 -11.698 -4.889 38 2HG1 VAL 6 2HG1 VAL 6 -0.970 -13.319 -4.762 39 3HG1 VAL 6 3HG1 VAL 6 -1.710 -11.979 -3.889 40 1HG2 VAL 6 1HG2 VAL 6 -0.655 -12.977 -7.225 41 2HG2 VAL 6 2HG2 VAL 6 -0.673 -11.221 -7.404 42 3HG2 VAL 6 3HG2 VAL 6 -1.956 -12.194 -8.124 43 H SER 7 H SER 7 -2.416 -14.480 -7.949 44 HA SER 7 HA SER 7 -2.454 -16.999 -6.538 45 1HB SER 7 2HB SER 7 -1.534 -15.943 -9.176 46 2HB SER 7 1HB SER 7 -0.938 -17.522 -8.675 47 HG SER 7 HG SER 7 -2.893 -17.729 -9.800 48 HA PRO 8 HA PRO 8 2.186 -16.794 -5.974 49 1HB PRO 8 2HB PRO 8 3.776 -15.131 -7.432 50 2HB PRO 8 1HB PRO 8 3.264 -16.724 -8.022 51 1HG PRO 8 2HG PRO 8 2.243 -14.029 -8.734 52 2HG PRO 8 1HG PRO 8 2.425 -15.472 -9.742 53 1HD PRO 8 2HD PRO 8 0.033 -14.601 -8.669 54 2HD PRO 8 1HD PRO 8 0.377 -16.266 -9.184 55 H ALA 9 H ALA 9 3.781 -15.317 -4.800 56 HA ALA 9 HA ALA 9 3.145 -12.498 -4.463 57 1HB ALA 9 1HB ALA 9 2.395 -12.959 -2.008 58 2HB ALA 9 2HB ALA 9 2.081 -14.598 -2.581 59 3HB ALA 9 3HB ALA 9 1.228 -13.232 -3.302 60 H SER 10 H SER 10 5.432 -14.519 -4.698 61 HA SER 10 HA SER 10 7.275 -13.167 -2.913 62 1HB SER 10 2HB SER 10 7.729 -15.690 -2.008 63 2HB SER 10 1HB SER 10 6.705 -14.528 -1.174 64 HG SER 10 HG SER 10 6.017 -16.858 -2.180 65 H GLY 11 H GLY 11 9.496 -13.800 -3.400 66 1HA GLY 11 2HA GLY 11 11.184 -14.456 -4.893 67 2HA GLY 11 1HA GLY 11 10.252 -15.942 -5.086 68 H LEU 12 H LEU 12 9.618 -12.546 -5.964 69 HA LEU 12 HA LEU 12 8.573 -13.409 -8.584 70 1HB LEU 12 2HB LEU 12 8.797 -10.698 -7.255 71 2HB LEU 12 1HB LEU 12 7.813 -11.086 -8.669 72 HG LEU 12 HG LEU 12 7.502 -12.408 -5.963 73 1HD1 LEU 12 1HD1 LEU 12 5.659 -10.979 -5.559 74 2HD1 LEU 12 2HD1 LEU 12 5.628 -10.413 -7.229 75 3HD1 LEU 12 3HD1 LEU 12 6.927 -9.907 -6.149 76 1HD2 LEU 12 1HD2 LEU 12 5.725 -12.405 -8.422 77 2HD2 LEU 12 2HD2 LEU 12 5.446 -13.300 -6.928 78 3HD2 LEU 12 3HD2 LEU 12 6.805 -13.724 -7.969 79 H SER 13 H SER 13 9.219 -11.191 -10.125 80 HA SER 13 HA SER 13 12.143 -10.809 -10.088 81 1HB SER 13 2HB SER 13 11.776 -11.693 -12.655 82 2HB SER 13 1HB SER 13 12.378 -12.694 -11.339 83 HG SER 13 HG SER 13 10.594 -13.784 -11.445 84 H ASP 14 H ASP 14 12.804 -9.174 -11.663 85 HA ASP 14 HA ASP 14 11.030 -6.985 -11.978 86 1HB ASP 14 2HB ASP 14 13.690 -7.441 -12.193 87 2HB ASP 14 1HB ASP 14 13.264 -7.343 -13.902 88 H GLY 15 H GLY 15 9.313 -6.785 -13.347 89 1HA GLY 15 2HA GLY 15 8.284 -6.758 -15.520 90 2HA GLY 15 1HA GLY 15 9.524 -7.873 -16.088 91 H GLN 16 H GLN 16 9.121 -9.507 -13.612 92 HA GLN 16 HA GLN 16 7.562 -11.597 -14.524 93 1HB GLN 16 2HB GLN 16 9.035 -11.443 -12.476 94 2HB GLN 16 1HB GLN 16 7.702 -10.625 -11.657 95 1HG GLN 16 2HG GLN 16 7.181 -13.247 -13.019 96 2HG GLN 16 1HG GLN 16 7.976 -13.242 -11.444 97 1HE2 GLN 16 1HE2 GLN 16 5.448 -14.379 -11.559 98 2HE2 GLN 16 2HE2 GLN 16 4.316 -13.362 -10.815 99 H SER 17 H SER 17 5.370 -12.049 -14.626 100 HA SER 17 HA SER 17 3.506 -9.874 -13.744 101 1HB SER 17 2HB SER 17 2.345 -10.272 -15.705 102 2HB SER 17 1HB SER 17 3.949 -10.779 -16.230 103 HG SER 17 HG SER 17 2.776 -12.518 -16.692 104 H VAL 18 H VAL 18 1.813 -10.452 -12.385 105 HA VAL 18 HA VAL 18 1.675 -13.326 -11.549 106 HB VAL 18 HB VAL 18 0.989 -12.389 -9.368 107 1HG1 VAL 18 1HG1 VAL 18 3.520 -11.646 -10.725 108 2HG1 VAL 18 2HG1 VAL 18 3.268 -12.541 -9.227 109 3HG1 VAL 18 3HG1 VAL 18 3.176 -10.780 -9.228 110 1HG2 VAL 18 1HG2 VAL 18 0.029 -10.279 -10.704 111 2HG2 VAL 18 2HG2 VAL 18 1.617 -9.619 -10.314 112 3HG2 VAL 18 3HG2 VAL 18 0.537 -10.142 -9.021 113 H SER 19 H SER 19 -0.535 -14.050 -10.887 114 HA SER 19 HA SER 19 -2.623 -12.816 -12.627 115 1HB SER 19 2HB SER 19 -2.607 -15.448 -11.128 116 2HB SER 19 1HB SER 19 -3.687 -14.987 -12.441 117 HG SER 19 HG SER 19 -1.776 -14.816 -13.760 118 H VAL 20 H VAL 20 -3.593 -11.174 -11.405 119 HA VAL 20 HA VAL 20 -4.129 -11.582 -8.540 120 HB VAL 20 HB VAL 20 -4.715 -9.358 -10.511 121 1HG1 VAL 20 1HG1 VAL 20 -6.333 -9.087 -8.810 122 2HG1 VAL 20 2HG1 VAL 20 -4.995 -8.070 -8.274 123 3HG1 VAL 20 3HG1 VAL 20 -5.237 -9.662 -7.554 124 1HG2 VAL 20 1HG2 VAL 20 -2.364 -9.519 -10.146 125 2HG2 VAL 20 2HG2 VAL 20 -2.579 -9.860 -8.429 126 3HG2 VAL 20 3HG2 VAL 20 -2.915 -8.246 -9.057 127 H SER 21 H SER 21 -6.351 -11.178 -7.716 128 HA SER 21 HA SER 21 -8.636 -11.537 -9.498 129 1HB SER 21 2HB SER 21 -9.103 -13.788 -9.005 130 2HB SER 21 1HB SER 21 -7.350 -13.795 -9.172 131 HG SER 21 HG SER 21 -7.250 -14.381 -7.166 132 H VAL 22 H VAL 22 -9.845 -9.985 -8.453 133 HA VAL 22 HA VAL 22 -9.904 -9.905 -5.495 134 HB VAL 22 HB VAL 22 -11.252 -8.109 -7.527 135 1HG1 VAL 22 1HG1 VAL 22 -10.468 -6.547 -5.443 136 2HG1 VAL 22 2HG1 VAL 22 -10.761 -8.069 -4.605 137 3HG1 VAL 22 3HG1 VAL 22 -12.052 -7.316 -5.539 138 1HG2 VAL 22 1HG2 VAL 22 -8.393 -8.385 -6.747 139 2HG2 VAL 22 2HG2 VAL 22 -9.026 -6.740 -6.827 140 3HG2 VAL 22 3HG2 VAL 22 -9.096 -7.783 -8.249 141 H SER 23 H SER 23 -11.899 -10.148 -4.335 142 HA SER 23 HA SER 23 -14.284 -11.006 -5.904 143 1HB SER 23 2HB SER 23 -13.015 -13.022 -5.408 144 2HB SER 23 1HB SER 23 -12.882 -12.563 -3.714 145 HG SER 23 HG SER 23 -14.582 -14.045 -4.046 146 H GLY 24 H GLY 24 -16.239 -10.591 -4.813 147 1HA GLY 24 2HA GLY 24 -17.338 -10.225 -2.566 148 2HA GLY 24 1HA GLY 24 -15.962 -9.189 -2.183 149 H ALA 25 H ALA 25 -15.795 -7.930 -4.783 150 HA ALA 25 HA ALA 25 -17.557 -5.721 -4.427 151 1HB ALA 25 1HB ALA 25 -16.396 -4.899 -6.244 152 2HB ALA 25 2HB ALA 25 -16.541 -6.408 -7.142 153 3HB ALA 25 3HB ALA 25 -15.338 -6.258 -5.863 154 H ALA 26 H ALA 26 -18.278 -5.796 -7.463 155 HA ALA 26 HA ALA 26 -20.304 -7.892 -7.671 156 1HB ALA 26 1HB ALA 26 -21.681 -6.713 -6.262 157 2HB ALA 26 2HB ALA 26 -22.050 -5.835 -7.746 158 3HB ALA 26 3HB ALA 26 -20.879 -5.180 -6.600 159 H ALA 27 H ALA 27 -20.744 -8.216 -9.797 160 HA ALA 27 HA ALA 27 -19.427 -7.029 -11.931 161 1HB ALA 27 1HB ALA 27 -20.886 -8.303 -13.214 162 2HB ALA 27 2HB ALA 27 -22.286 -7.863 -12.236 163 3HB ALA 27 3HB ALA 27 -21.127 -9.048 -11.633 164 H GLY 28 H GLY 28 -19.611 -5.098 -12.996 165 1HA GLY 28 2HA GLY 28 -21.117 -3.382 -13.985 166 2HA GLY 28 1HA GLY 28 -22.044 -3.459 -12.489 167 H GLU 29 H GLU 29 -18.708 -3.694 -11.922 168 HA GLU 29 HA GLU 29 -18.404 -0.747 -11.604 169 1HB GLU 29 2HB GLU 29 -18.456 -2.883 -9.488 170 2HB GLU 29 1HB GLU 29 -17.496 -1.425 -9.234 171 1HG GLU 29 2HG GLU 29 -20.459 -1.500 -9.881 172 2HG GLU 29 1HG GLU 29 -19.758 -1.142 -8.302 173 H THR 30 H THR 30 -16.134 -0.130 -11.254 174 HA THR 30 HA THR 30 -14.198 -2.243 -12.131 175 HB THR 30 HB THR 30 -13.811 0.667 -12.721 176 HG1 THR 30 HG1 THR 30 -15.760 -1.033 -13.810 177 1HG2 THR 30 1HG2 THR 30 -12.587 -1.771 -13.426 178 2HG2 THR 30 2HG2 THR 30 -12.226 -0.173 -14.075 179 3HG2 THR 30 3HG2 THR 30 -13.406 -1.207 -14.881 180 H TYR 31 H TYR 31 -11.908 -1.667 -11.478 181 HA TYR 31 HA TYR 31 -11.656 0.117 -9.119 182 1HB TYR 31 2HB TYR 31 -11.253 -2.889 -9.131 183 2HB TYR 31 1HB TYR 31 -10.713 -1.837 -7.822 184 HD1 TYR 31 HD1 TYR 31 -13.245 -3.999 -8.674 185 HD2 TYR 31 HD2 TYR 31 -12.700 0.011 -7.234 186 HE1 TYR 31 HE1 TYR 31 -15.520 -4.043 -7.689 187 HE2 TYR 31 HE2 TYR 31 -14.974 -0.033 -6.249 188 HH TYR 31 HH TYR 31 -16.982 -2.968 -6.396 189 H TYR 32 H TYR 32 -9.348 0.537 -8.621 190 HA TYR 32 HA TYR 32 -7.617 -0.052 -10.986 191 1HB TYR 32 2HB TYR 32 -7.512 1.994 -8.746 192 2HB TYR 32 1HB TYR 32 -6.301 1.870 -10.023 193 HD1 TYR 32 HD1 TYR 32 -9.907 2.489 -9.352 194 HD2 TYR 32 HD2 TYR 32 -6.708 2.730 -12.208 195 HE1 TYR 32 HE1 TYR 32 -11.349 3.840 -10.851 196 HE2 TYR 32 HE2 TYR 32 -8.149 4.080 -13.707 197 HH TYR 32 HH TYR 32 -10.156 4.960 -14.024 198 H ILE 33 H ILE 33 -5.283 -0.499 -10.469 199 HA ILE 33 HA ILE 33 -4.776 -1.666 -7.782 200 HB ILE 33 HB ILE 33 -5.777 -3.473 -9.057 201 1HG1 ILE 33 2HG1 ILE 33 -2.873 -4.097 -9.407 202 2HG1 ILE 33 1HG1 ILE 33 -3.437 -3.696 -7.784 203 1HG2 ILE 33 1HG2 ILE 33 -5.610 -3.513 -11.300 204 2HG2 ILE 33 2HG2 ILE 33 -3.875 -3.806 -11.173 205 3HG2 ILE 33 3HG2 ILE 33 -4.489 -2.152 -11.234 206 1HD1 ILE 33 1HD1 ILE 33 -5.392 -5.413 -8.571 207 2HD1 ILE 33 2HD1 ILE 33 -3.950 -5.917 -7.692 208 3HD1 ILE 33 3HD1 ILE 33 -4.013 -6.076 -9.447 209 H ALA 34 H ALA 34 -2.609 -1.432 -7.218 210 HA ALA 34 HA ALA 34 -0.574 -1.058 -9.334 211 1HB ALA 34 1HB ALA 34 -0.762 1.189 -9.265 212 2HB ALA 34 2HB ALA 34 -0.218 1.131 -7.588 213 3HB ALA 34 3HB ALA 34 -1.942 1.086 -7.958 214 H GLN 35 H GLN 35 1.639 -0.887 -8.357 215 HA GLN 35 HA GLN 35 1.807 -2.495 -5.853 216 1HB GLN 35 2HB GLN 35 2.922 -3.151 -8.029 217 2HB GLN 35 1HB GLN 35 3.947 -1.725 -7.860 218 1HG GLN 35 2HG GLN 35 5.208 -2.674 -6.224 219 2HG GLN 35 1HG GLN 35 3.810 -3.416 -5.447 220 1HE2 GLN 35 1HE2 GLN 35 6.398 -4.743 -6.071 221 2HE2 GLN 35 2HE2 GLN 35 6.027 -6.031 -7.113 222 H CYS 36 H CYS 36 3.218 -1.794 -4.129 223 HA CYS 36 HA CYS 36 4.250 0.995 -4.261 224 1HB CYS 36 2HB CYS 36 1.767 0.413 -3.268 225 2HB CYS 36 1HB CYS 36 2.756 0.300 -1.813 226 H ALA 37 H ALA 37 5.282 1.436 -1.941 227 HA ALA 37 HA ALA 37 6.402 -0.960 -0.643 228 1HB ALA 37 1HB ALA 37 8.636 0.644 -1.430 229 2HB ALA 37 2HB ALA 37 7.660 0.337 -2.867 230 3HB ALA 37 3HB ALA 37 8.271 -1.013 -1.911 231 HA PRO 38 HA PRO 38 6.090 2.203 2.478 232 1HB PRO 38 2HB PRO 38 6.982 0.665 4.557 233 2HB PRO 38 1HB PRO 38 5.332 0.585 3.918 234 1HG PRO 38 2HG PRO 38 7.650 -1.214 3.392 235 2HG PRO 38 1HG PRO 38 5.944 -1.622 3.639 236 1HD PRO 38 2HD PRO 38 7.087 -1.543 1.180 237 2HD PRO 38 1HD PRO 38 5.375 -1.153 1.457 238 H VAL 39 H VAL 39 7.610 3.396 3.800 239 HA VAL 39 HA VAL 39 10.478 2.696 3.588 240 HB VAL 39 HB VAL 39 9.428 5.332 2.567 241 1HG1 VAL 39 1HG1 VAL 39 11.609 5.616 1.670 242 2HG1 VAL 39 2HG1 VAL 39 12.010 3.915 1.909 243 3HG1 VAL 39 3HG1 VAL 39 11.863 4.991 3.299 244 1HG2 VAL 39 1HG2 VAL 39 8.461 3.609 1.148 245 2HG2 VAL 39 2HG2 VAL 39 10.017 2.787 1.030 246 3HG2 VAL 39 3HG2 VAL 39 9.796 4.368 0.279 247 H GLY 40 H GLY 40 9.618 2.597 5.987 248 1HA GLY 40 2HA GLY 40 10.293 3.618 8.066 249 2HA GLY 40 1HA GLY 40 10.357 5.179 7.246 250 H GLY 41 H GLY 41 7.592 4.083 6.085 251 1HA GLY 41 2HA GLY 41 5.522 3.788 7.723 252 2HA GLY 41 1HA GLY 41 6.010 5.411 8.217 253 H GLN 42 H GLN 42 6.924 5.658 5.229 254 HA GLN 42 HA GLN 42 4.333 6.777 4.315 255 1HB GLN 42 2HB GLN 42 6.958 6.909 2.838 256 2HB GLN 42 1HB GLN 42 5.673 8.113 2.911 257 1HG GLN 42 2HG GLN 42 7.729 7.440 5.023 258 2HG GLN 42 1HG GLN 42 7.387 9.007 4.289 259 1HE2 GLN 42 1HE2 GLN 42 5.147 9.941 4.814 260 2HE2 GLN 42 2HE2 GLN 42 4.483 9.599 6.338 261 H ASP 43 H ASP 43 3.612 6.311 2.068 262 HA ASP 43 HA ASP 43 4.351 3.527 1.232 263 1HB ASP 43 2HB ASP 43 1.915 4.721 1.959 264 2HB ASP 43 1HB ASP 43 1.841 4.565 0.204 265 H ALA 44 H ALA 44 5.953 4.021 -0.324 266 HA ALA 44 HA ALA 44 5.470 6.093 -2.362 267 1HB ALA 44 1HB ALA 44 7.662 4.020 -2.324 268 2HB ALA 44 2HB ALA 44 7.677 5.367 -1.187 269 3HB ALA 44 3HB ALA 44 7.732 5.677 -2.922 270 H CYS 45 H CYS 45 4.075 5.561 -4.019 271 HA CYS 45 HA CYS 45 3.912 2.725 -4.927 272 1HB CYS 45 2HB CYS 45 2.198 5.178 -4.998 273 2HB CYS 45 1HB CYS 45 1.945 3.957 -6.243 274 H ASN 46 H ASN 46 3.824 2.351 -7.305 275 HA ASN 46 HA ASN 46 5.823 4.049 -8.712 276 1HB ASN 46 2HB ASN 46 5.954 1.516 -8.440 277 2HB ASN 46 1HB ASN 46 4.584 1.418 -9.548 278 1HD2 ASN 46 1HD2 ASN 46 6.128 0.279 -11.060 279 2HD2 ASN 46 2HD2 ASN 46 7.192 1.209 -11.999 280 HA PRO 47 HA PRO 47 2.321 5.751 -10.917 281 1HB PRO 47 2HB PRO 47 3.733 7.657 -12.266 282 2HB PRO 47 1HB PRO 47 3.257 7.831 -10.565 283 1HG PRO 47 2HG PRO 47 5.897 7.130 -11.725 284 2HG PRO 47 1HG PRO 47 5.510 8.054 -10.267 285 1HD PRO 47 2HD PRO 47 6.335 5.408 -10.297 286 2HD PRO 47 1HD PRO 47 5.468 6.193 -8.958 287 H ALA 48 H ALA 48 4.867 3.894 -12.030 288 HA ALA 48 HA ALA 48 4.378 4.275 -14.912 289 1HB ALA 48 1HB ALA 48 6.025 2.147 -13.542 290 2HB ALA 48 2HB ALA 48 6.607 3.802 -13.717 291 3HB ALA 48 3HB ALA 48 6.260 2.834 -15.148 292 H THR 49 H THR 49 3.026 2.431 -12.374 293 HA THR 49 HA THR 49 1.791 0.558 -14.371 294 HB THR 49 HB THR 49 1.934 -1.170 -12.630 295 HG1 THR 49 HG1 THR 49 2.897 -0.686 -10.671 296 1HG2 THR 49 1HG2 THR 49 4.410 0.333 -13.409 297 2HG2 THR 49 2HG2 THR 49 3.861 -1.260 -13.933 298 3HG2 THR 49 3HG2 THR 49 4.541 -1.048 -12.319 299 H ALA 50 H ALA 50 -0.118 1.910 -14.479 300 HA ALA 50 HA ALA 50 -1.828 1.739 -12.028 301 1HB ALA 50 1HB ALA 50 -2.567 4.086 -12.605 302 2HB ALA 50 2HB ALA 50 -1.280 4.128 -13.811 303 3HB ALA 50 3HB ALA 50 -0.881 3.969 -12.101 304 H THR 51 H THR 51 -2.922 -0.036 -13.166 305 HA THR 51 HA THR 51 -4.550 0.873 -15.517 306 HB THR 51 HB THR 51 -2.973 -0.875 -16.094 307 HG1 THR 51 HG1 THR 51 -4.551 -1.728 -17.146 308 1HG2 THR 51 1HG2 THR 51 -2.456 -1.709 -13.878 309 2HG2 THR 51 2HG2 THR 51 -3.036 -3.056 -14.858 310 3HG2 THR 51 3HG2 THR 51 -4.104 -2.301 -13.674 311 H SER 52 H SER 52 -6.698 -0.417 -15.633 312 HA SER 52 HA SER 52 -7.789 -0.815 -12.868 313 1HB SER 52 2HB SER 52 -9.929 0.047 -14.212 314 2HB SER 52 1HB SER 52 -8.775 1.177 -13.507 315 HG SER 52 HG SER 52 -9.305 1.526 -15.774 316 H PHE 53 H PHE 53 -9.842 -2.144 -12.927 317 HA PHE 53 HA PHE 53 -10.176 -3.978 -15.219 318 1HB PHE 53 2HB PHE 53 -9.716 -5.948 -13.776 319 2HB PHE 53 1HB PHE 53 -8.301 -4.902 -13.907 320 HD1 PHE 53 HD1 PHE 53 -10.933 -6.165 -11.694 321 HD2 PHE 53 HD2 PHE 53 -7.647 -3.421 -12.043 322 HE1 PHE 53 HE1 PHE 53 -10.905 -5.880 -9.229 323 HE2 PHE 53 HE2 PHE 53 -7.618 -3.137 -9.584 324 HZ PHE 53 HZ PHE 53 -9.248 -4.366 -8.175 325 H THR 54 H THR 54 -12.277 -4.852 -15.230 326 HA THR 54 HA THR 54 -14.096 -3.887 -13.062 327 HB THR 54 HB THR 54 -14.595 -4.937 -15.866 328 HG1 THR 54 HG1 THR 54 -14.042 -2.997 -16.377 329 1HG2 THR 54 1HG2 THR 54 -16.859 -4.406 -15.583 330 2HG2 THR 54 2HG2 THR 54 -16.540 -3.373 -14.190 331 3HG2 THR 54 3HG2 THR 54 -16.433 -5.125 -14.030 332 H THR 55 H THR 55 -15.695 -5.380 -12.205 333 HA THR 55 HA THR 55 -14.677 -8.054 -11.708 334 HB THR 55 HB THR 55 -17.121 -8.158 -10.695 335 HG1 THR 55 HG1 THR 55 -18.015 -6.137 -10.460 336 1HG2 THR 55 1HG2 THR 55 -14.752 -7.640 -9.637 337 2HG2 THR 55 2HG2 THR 55 -16.224 -7.340 -8.716 338 3HG2 THR 55 3HG2 THR 55 -15.398 -6.004 -9.519 339 H ASP 56 H ASP 56 -16.492 -9.884 -11.937 340 HA ASP 56 HA ASP 56 -17.298 -9.887 -14.826 341 1HB ASP 56 2HB ASP 56 -16.501 -12.030 -12.844 342 2HB ASP 56 1HB ASP 56 -17.212 -12.415 -14.411 343 H ALA 57 H ALA 57 -19.055 -12.113 -14.637 344 HA ALA 57 HA ALA 57 -21.498 -10.849 -13.822 345 1HB ALA 57 1HB ALA 57 -20.839 -13.774 -14.283 346 2HB ALA 57 2HB ALA 57 -21.243 -12.618 -15.551 347 3HB ALA 57 3HB ALA 57 -22.450 -13.060 -14.344 348 H SER 58 H SER 58 -19.225 -12.923 -12.146 349 HA SER 58 HA SER 58 -21.078 -13.307 -9.863 350 1HB SER 58 2HB SER 58 -19.404 -14.880 -9.136 351 2HB SER 58 1HB SER 58 -19.574 -15.093 -10.875 352 HG SER 58 HG SER 58 -17.364 -14.811 -9.827 353 H GLY 59 H GLY 59 -19.548 -10.720 -10.809 354 1HA GLY 59 2HA GLY 59 -18.674 -8.837 -9.710 355 2HA GLY 59 1HA GLY 59 -19.204 -9.578 -8.202 356 H ALA 60 H ALA 60 -17.192 -11.624 -10.012 357 HA ALA 60 HA ALA 60 -14.923 -11.034 -8.157 358 1HB ALA 60 1HB ALA 60 -15.877 -13.279 -8.059 359 2HB ALA 60 2HB ALA 60 -14.273 -13.378 -8.783 360 3HB ALA 60 3HB ALA 60 -15.708 -13.458 -9.805 361 H ALA 61 H ALA 61 -13.210 -9.959 -9.065 362 HA ALA 61 HA ALA 61 -12.934 -9.949 -12.030 363 1HB ALA 61 1HB ALA 61 -11.362 -8.317 -10.043 364 2HB ALA 61 2HB ALA 61 -13.026 -7.891 -10.441 365 3HB ALA 61 3HB ALA 61 -11.795 -7.907 -11.703 366 H SER 62 H SER 62 -10.957 -10.516 -13.019 367 HA SER 62 HA SER 62 -8.715 -11.525 -11.383 368 1HB SER 62 2HB SER 62 -10.245 -13.309 -13.298 369 2HB SER 62 1HB SER 62 -8.899 -13.785 -12.267 370 HG SER 62 HG SER 62 -10.266 -13.151 -10.473 371 H PHE 63 H PHE 63 -6.950 -10.688 -12.457 372 HA PHE 63 HA PHE 63 -6.804 -10.983 -15.402 373 1HB PHE 63 2HB PHE 63 -6.331 -8.533 -15.622 374 2HB PHE 63 1HB PHE 63 -7.967 -8.870 -15.059 375 HD1 PHE 63 HD1 PHE 63 -5.007 -7.034 -14.419 376 HD2 PHE 63 HD2 PHE 63 -8.263 -9.015 -12.437 377 HE1 PHE 63 HE1 PHE 63 -4.581 -5.690 -12.378 378 HE2 PHE 63 HE2 PHE 63 -7.836 -7.673 -10.397 379 HZ PHE 63 HZ PHE 63 -5.996 -6.010 -10.366 380 H SER 64 H SER 64 -4.594 -9.871 -16.104 381 HA SER 64 HA SER 64 -2.521 -10.941 -14.248 382 1HB SER 64 2HB SER 64 -1.232 -10.427 -16.554 383 2HB SER 64 1HB SER 64 -2.158 -11.904 -16.308 384 HG SER 64 HG SER 64 -3.702 -11.157 -17.581 385 H PHE 65 H PHE 65 -1.193 -9.536 -13.182 386 HA PHE 65 HA PHE 65 -1.024 -6.707 -14.134 387 1HB PHE 65 2HB PHE 65 -2.389 -6.837 -12.155 388 2HB PHE 65 1HB PHE 65 -1.237 -7.915 -11.369 389 HD1 PHE 65 HD1 PHE 65 -1.658 -4.461 -12.707 390 HD2 PHE 65 HD2 PHE 65 0.599 -7.061 -10.139 391 HE1 PHE 65 HE1 PHE 65 -0.449 -2.502 -11.785 392 HE2 PHE 65 HE2 PHE 65 1.806 -5.105 -9.218 393 HZ PHE 65 HZ PHE 65 1.285 -2.825 -10.038 394 H VAL 66 H VAL 66 1.069 -6.084 -14.560 395 HA VAL 66 HA VAL 66 3.278 -7.920 -13.947 396 HB VAL 66 HB VAL 66 3.266 -5.160 -15.186 397 1HG1 VAL 66 1HG1 VAL 66 5.507 -5.558 -15.046 398 2HG1 VAL 66 2HG1 VAL 66 5.215 -6.617 -16.426 399 3HG1 VAL 66 3HG1 VAL 66 5.281 -7.291 -14.798 400 1HG2 VAL 66 1HG2 VAL 66 1.816 -6.292 -16.605 401 2HG2 VAL 66 2HG2 VAL 66 2.524 -7.865 -16.238 402 3HG2 VAL 66 3HG2 VAL 66 3.365 -6.749 -17.314 403 H VAL 67 H VAL 67 5.269 -7.087 -12.917 404 HA VAL 67 HA VAL 67 4.768 -4.950 -10.879 405 HB VAL 67 HB VAL 67 6.063 -6.514 -9.321 406 1HG1 VAL 67 1HG1 VAL 67 3.424 -6.249 -9.717 407 2HG1 VAL 67 2HG1 VAL 67 4.084 -7.413 -8.569 408 3HG1 VAL 67 3HG1 VAL 67 3.592 -7.943 -10.176 409 1HG2 VAL 67 1HG2 VAL 67 6.443 -7.925 -11.702 410 2HG2 VAL 67 2HG2 VAL 67 5.245 -8.878 -10.828 411 3HG2 VAL 67 3HG2 VAL 67 6.799 -8.514 -10.079 412 H ARG 68 H ARG 68 7.087 -4.518 -9.778 413 HA ARG 68 HA ARG 68 9.245 -4.737 -11.823 414 1HB ARG 68 2HB ARG 68 7.680 -2.397 -11.107 415 2HB ARG 68 1HB ARG 68 9.398 -2.129 -10.807 416 1HG ARG 68 2HG ARG 68 9.736 -1.863 -13.013 417 2HG ARG 68 1HG ARG 68 9.167 -3.509 -13.290 418 1HD ARG 68 2HD ARG 68 6.788 -2.563 -13.190 419 2HD ARG 68 1HD ARG 68 7.536 -0.958 -13.301 420 HE ARG 68 HE ARG 68 8.793 -2.212 -15.334 421 1HH1 ARG 68 1HH1 ARG 68 5.806 -3.466 -14.488 422 2HH1 ARG 68 2HH1 ARG 68 5.049 -3.174 -16.019 423 1HH2 ARG 68 1HH2 ARG 68 7.687 -1.301 -17.268 424 2HH2 ARG 68 2HH2 ARG 68 6.115 -1.950 -17.593 425 H LYS 69 H LYS 69 10.819 -5.748 -10.676 426 HA LYS 69 HA LYS 69 11.140 -5.879 -7.881 427 1HB LYS 69 2HB LYS 69 12.181 -7.348 -9.579 428 2HB LYS 69 1HB LYS 69 13.202 -6.009 -10.105 429 1HG LYS 69 2HG LYS 69 14.161 -5.876 -7.811 430 2HG LYS 69 1HG LYS 69 13.199 -7.285 -7.356 431 1HD LYS 69 2HD LYS 69 14.321 -8.639 -9.067 432 2HD LYS 69 1HD LYS 69 15.252 -7.232 -9.588 433 1HE LYS 69 2HE LYS 69 16.304 -7.090 -7.351 434 2HE LYS 69 1HE LYS 69 15.374 -8.508 -6.831 435 1HZ LYS 69 1HZ LYS 69 16.801 -8.744 -9.357 436 2HZ LYS 69 2HZ LYS 69 16.567 -9.899 -8.132 437 3HZ LYS 69 3HZ LYS 69 17.766 -8.706 -7.963 438 H SER 70 H SER 70 11.828 -3.268 -10.032 439 HA SER 70 HA SER 70 12.932 -1.680 -7.780 440 1HB SER 70 2HB SER 70 14.938 -1.125 -8.993 441 2HB SER 70 1HB SER 70 14.794 -2.879 -9.014 442 HG SER 70 HG SER 70 15.227 -1.662 -11.080 443 H TYR 71 H TYR 71 11.832 0.228 -7.850 444 HA TYR 71 HA TYR 71 11.439 1.648 -10.393 445 1HB TYR 71 2HB TYR 71 9.031 1.553 -10.338 446 2HB TYR 71 1HB TYR 71 9.614 -0.104 -10.180 447 HD1 TYR 71 HD1 TYR 71 8.926 -1.424 -8.368 448 HD2 TYR 71 HD2 TYR 71 8.570 2.851 -8.124 449 HE1 TYR 71 HE1 TYR 71 7.701 -1.648 -6.223 450 HE2 TYR 71 HE2 TYR 71 7.348 2.626 -5.977 451 HH TYR 71 HH TYR 71 6.233 1.142 -4.639 452 H THR 72 H THR 72 11.082 3.869 -10.020 453 HA THR 72 HA THR 72 11.852 4.951 -7.496 454 HB THR 72 HB THR 72 10.170 6.536 -9.362 455 HG1 THR 72 HG1 THR 72 11.977 6.567 -10.825 456 1HG2 THR 72 1HG2 THR 72 11.800 7.193 -7.341 457 2HG2 THR 72 2HG2 THR 72 11.570 8.241 -8.740 458 3HG2 THR 72 3HG2 THR 72 12.980 7.185 -8.650 459 H GLY 73 H GLY 73 10.655 5.015 -5.646 460 1HA GLY 73 2HA GLY 73 7.770 4.512 -5.734 461 2HA GLY 73 1HA GLY 73 8.736 4.752 -4.278 462 H SER 74 H SER 74 6.174 5.999 -4.947 463 HA SER 74 HA SER 74 6.711 8.690 -4.116 464 1HB SER 74 2HB SER 74 6.211 9.811 -6.277 465 2HB SER 74 1HB SER 74 7.660 8.817 -6.387 466 HG SER 74 HG SER 74 5.240 8.573 -7.648 467 H THR 75 H THR 75 4.828 9.232 -3.096 468 HA THR 75 HA THR 75 2.450 7.812 -3.014 469 HB THR 75 HB THR 75 1.502 9.882 -2.141 470 HG1 THR 75 HG1 THR 75 2.020 11.686 -3.044 471 1HG2 THR 75 1HG2 THR 75 4.369 10.282 -1.438 472 2HG2 THR 75 2HG2 THR 75 3.684 8.687 -1.124 473 3HG2 THR 75 3HG2 THR 75 2.964 10.118 -0.383 474 HA PRO 76 HA PRO 76 0.571 8.180 -6.993 475 1HB PRO 76 2HB PRO 76 -2.050 7.872 -6.235 476 2HB PRO 76 1HB PRO 76 -0.893 6.526 -6.332 477 1HG PRO 76 2HG PRO 76 -1.735 8.121 -3.941 478 2HG PRO 76 1HG PRO 76 -1.567 6.362 -4.116 479 1HD PRO 76 2HD PRO 76 0.345 7.789 -2.929 480 2HD PRO 76 1HD PRO 76 0.759 6.436 -4.009 481 H GLU 77 H GLU 77 -0.546 10.182 -4.282 482 HA GLU 77 HA GLU 77 -0.867 12.477 -6.121 483 1HB GLU 77 2HB GLU 77 -3.022 11.453 -6.335 484 2HB GLU 77 1HB GLU 77 -3.117 11.145 -4.600 485 1HG GLU 77 2HG GLU 77 -4.477 13.133 -5.432 486 2HG GLU 77 1HG GLU 77 -3.365 13.476 -4.105 487 H GLY 78 H GLY 78 0.618 13.688 -4.899 488 1HA GLY 78 2HA GLY 78 -0.132 15.242 -2.769 489 2HA GLY 78 1HA GLY 78 0.444 13.770 -1.984 490 H THR 79 H THR 79 2.674 13.263 -2.085 491 HA THR 79 HA THR 79 4.447 15.252 -3.415 492 HB THR 79 HB THR 79 5.736 15.066 -1.161 493 HG1 THR 79 HG1 THR 79 4.774 13.769 0.159 494 1HG2 THR 79 1HG2 THR 79 3.071 16.492 -1.220 495 2HG2 THR 79 2HG2 THR 79 4.539 17.088 -1.995 496 3HG2 THR 79 3HG2 THR 79 4.470 16.929 -0.240 497 HA PRO 80 HA PRO 80 6.689 11.613 -4.480 498 1HB PRO 80 2HB PRO 80 9.170 12.696 -4.882 499 2HB PRO 80 1HB PRO 80 7.823 12.913 -6.018 500 1HG PRO 80 2HG PRO 80 8.879 14.789 -3.961 501 2HG PRO 80 1HG PRO 80 8.262 15.124 -5.586 502 1HD PRO 80 2HD PRO 80 6.813 15.527 -3.298 503 2HD PRO 80 1HD PRO 80 6.083 15.196 -4.885 504 H VAL 81 H VAL 81 8.120 10.095 -3.489 505 HA VAL 81 HA VAL 81 9.045 10.860 -0.755 506 HB VAL 81 HB VAL 81 8.523 8.112 -1.870 507 1HG1 VAL 81 1HG1 VAL 81 9.827 8.391 0.275 508 2HG1 VAL 81 2HG1 VAL 81 8.332 7.473 0.448 509 3HG1 VAL 81 3HG1 VAL 81 8.398 9.157 0.968 510 1HG2 VAL 81 1HG2 VAL 81 6.600 9.983 -0.453 511 2HG2 VAL 81 2HG2 VAL 81 6.272 8.296 -0.850 512 3HG2 VAL 81 3HG2 VAL 81 6.492 9.477 -2.140 513 H GLY 82 H GLY 82 9.980 8.270 -3.025 514 1HA GLY 82 2HA GLY 82 12.581 9.280 -3.621 515 2HA GLY 82 1HA GLY 82 12.706 8.216 -2.219 516 H SER 83 H SER 83 14.030 6.843 -3.684 517 HA SER 83 HA SER 83 12.574 5.460 -5.858 518 1HB SER 83 2HB SER 83 15.338 4.840 -4.849 519 2HB SER 83 1HB SER 83 14.719 4.727 -6.495 520 HG SER 83 HG SER 83 14.402 7.155 -6.109 521 H VAL 84 H VAL 84 12.463 3.069 -5.866 522 HA VAL 84 HA VAL 84 12.572 1.856 -3.126 523 HB VAL 84 HB VAL 84 10.363 1.936 -5.178 524 1HG1 VAL 84 1HG1 VAL 84 10.798 -0.451 -4.559 525 2HG1 VAL 84 2HG1 VAL 84 9.230 0.127 -3.995 526 3HG1 VAL 84 3HG1 VAL 84 10.576 -0.016 -2.864 527 1HG2 VAL 84 1HG2 VAL 84 9.092 2.305 -2.945 528 2HG2 VAL 84 2HG2 VAL 84 10.119 3.615 -3.529 529 3HG2 VAL 84 3HG2 VAL 84 10.690 2.554 -2.241 530 H ASP 85 H ASP 85 12.921 -0.463 -3.131 531 HA ASP 85 HA ASP 85 13.472 -1.819 -5.698 532 1HB ASP 85 2HB ASP 85 15.459 -0.444 -4.159 533 2HB ASP 85 1HB ASP 85 15.786 -2.175 -4.066 534 H CYS 86 H CYS 86 12.326 -3.680 -5.288 535 HA CYS 86 HA CYS 86 11.826 -4.817 -2.711 536 1HB CYS 86 2HB CYS 86 11.765 -5.922 -5.531 537 2HB CYS 86 1HB CYS 86 11.109 -6.777 -4.138 538 H ALA 87 H ALA 87 14.736 -4.772 -4.453 539 HA ALA 87 HA ALA 87 15.842 -7.331 -4.246 540 1HB ALA 87 1HB ALA 87 17.563 -6.055 -4.985 541 2HB ALA 87 2HB ALA 87 17.758 -5.406 -3.357 542 3HB ALA 87 3HB ALA 87 16.691 -4.599 -4.506 543 H THR 88 H THR 88 16.010 -4.770 -1.811 544 HA THR 88 HA THR 88 16.120 -6.873 0.320 545 HB THR 88 HB THR 88 18.305 -5.959 0.149 546 HG1 THR 88 HG1 THR 88 17.647 -5.825 2.264 547 1HG2 THR 88 1HG2 THR 88 18.293 -3.247 0.249 548 2HG2 THR 88 2HG2 THR 88 16.807 -3.532 -0.656 549 3HG2 THR 88 3HG2 THR 88 18.341 -4.162 -1.259 550 H ALA 89 H ALA 89 14.477 -4.214 -0.979 551 HA ALA 89 HA ALA 89 13.438 -3.162 1.568 552 1HB ALA 89 1HB ALA 89 12.313 -2.437 -1.095 553 2HB ALA 89 2HB ALA 89 14.011 -2.046 -0.814 554 3HB ALA 89 3HB ALA 89 12.768 -1.390 0.250 555 H ALA 90 H ALA 90 10.887 -2.793 1.382 556 HA ALA 90 HA ALA 90 9.694 -5.479 0.787 557 1HB ALA 90 1HB ALA 90 7.972 -4.474 2.513 558 2HB ALA 90 2HB ALA 90 9.297 -3.372 2.892 559 3HB ALA 90 3HB ALA 90 9.512 -5.112 3.090 560 H CYS 91 H CYS 91 7.875 -5.554 -0.524 561 HA CYS 91 HA CYS 91 6.637 -2.962 -1.366 562 1HB CYS 91 2HB CYS 91 6.587 -4.515 -3.673 563 2HB CYS 91 1HB CYS 91 7.733 -3.218 -3.361 564 H ASN 92 H ASN 92 4.409 -3.092 -1.608 565 HA ASN 92 HA ASN 92 3.173 -5.807 -1.286 566 1HB ASN 92 2HB ASN 92 1.457 -4.633 0.067 567 2HB ASN 92 1HB ASN 92 3.070 -4.409 0.746 568 1HD2 ASN 92 1HD2 ASN 92 3.109 -2.294 1.547 569 2HD2 ASN 92 2HD2 ASN 92 2.601 -0.925 0.682 570 H LEU 93 H LEU 93 0.630 -5.385 -1.799 571 HA LEU 93 HA LEU 93 0.409 -3.825 -4.340 572 1HB LEU 93 2HB LEU 93 0.913 -6.287 -4.662 573 2HB LEU 93 1HB LEU 93 -0.614 -6.640 -3.854 574 HG LEU 93 HG LEU 93 -1.779 -5.232 -5.573 575 1HD1 LEU 93 1HD1 LEU 93 0.261 -5.363 -7.587 576 2HD1 LEU 93 2HD1 LEU 93 0.903 -4.512 -6.181 577 3HD1 LEU 93 3HD1 LEU 93 -0.572 -3.941 -6.960 578 1HD2 LEU 93 1HD2 LEU 93 -0.577 -7.069 -7.414 579 2HD2 LEU 93 2HD2 LEU 93 -2.124 -7.218 -6.580 580 3HD2 LEU 93 3HD2 LEU 93 -0.655 -7.848 -5.834 581 H GLY 94 H GLY 94 -1.666 -2.876 -4.606 582 1HA GLY 94 2HA GLY 94 -3.737 -3.636 -2.601 583 2HA GLY 94 1HA GLY 94 -3.275 -1.939 -2.750 584 H ALA 95 H ALA 95 -5.866 -3.360 -3.333 585 HA ALA 95 HA ALA 95 -6.196 -2.364 -6.145 586 1HB ALA 95 1HB ALA 95 -7.987 -4.338 -6.071 587 2HB ALA 95 2HB ALA 95 -6.906 -4.952 -4.821 588 3HB ALA 95 3HB ALA 95 -6.297 -4.664 -6.450 589 H GLY 96 H GLY 96 -7.628 -0.665 -6.078 590 1HA GLY 96 2HA GLY 96 -10.257 -0.835 -5.051 591 2HA GLY 96 1HA GLY 96 -9.269 -0.057 -3.813 592 H ASN 97 H ASN 97 -11.406 1.222 -5.282 593 HA ASN 97 HA ASN 97 -9.912 3.154 -6.995 594 1HB ASN 97 2HB ASN 97 -12.029 3.543 -8.060 595 2HB ASN 97 1HB ASN 97 -11.890 1.796 -7.858 596 1HD2 ASN 97 1HD2 ASN 97 -14.437 3.204 -8.052 597 2HD2 ASN 97 2HD2 ASN 97 -15.243 2.993 -6.573 598 H SER 98 H SER 98 -12.287 4.992 -6.681 599 HA SER 98 HA SER 98 -11.388 6.266 -4.143 600 1HB SER 98 2HB SER 98 -11.329 7.512 -6.279 601 2HB SER 98 1HB SER 98 -13.060 7.256 -6.475 602 HG SER 98 HG SER 98 -11.842 9.190 -5.161 603 H GLY 99 H GLY 99 -12.894 4.212 -3.337 604 1HA GLY 99 2HA GLY 99 -15.086 5.316 -1.957 605 2HA GLY 99 1HA GLY 99 -15.743 4.606 -3.432 606 H LEU 100 H LEU 100 -14.954 2.266 -3.839 607 HA LEU 100 HA LEU 100 -15.449 0.722 -1.376 608 1HB LEU 100 2HB LEU 100 -16.335 0.434 -3.838 609 2HB LEU 100 1HB LEU 100 -14.815 -0.429 -4.075 610 HG LEU 100 HG LEU 100 -16.123 -1.231 -1.600 611 1HD1 LEU 100 1HD1 LEU 100 -18.110 -2.190 -2.436 612 2HD1 LEU 100 2HD1 LEU 100 -17.601 -2.001 -4.114 613 3HD1 LEU 100 3HD1 LEU 100 -18.084 -0.589 -3.175 614 1HD2 LEU 100 1HD2 LEU 100 -15.983 -3.431 -3.214 615 2HD2 LEU 100 2HD2 LEU 100 -14.628 -2.824 -2.263 616 3HD2 LEU 100 3HD2 LEU 100 -14.775 -2.389 -3.966 617 H ASP 101 H ASP 101 -14.013 -0.949 -0.621 618 HA ASP 101 HA ASP 101 -11.157 -0.634 -1.490 619 1HB ASP 101 2HB ASP 101 -12.423 -0.981 1.243 620 2HB ASP 101 1HB ASP 101 -10.688 -1.126 0.960 621 H LEU 102 H LEU 102 -10.099 -2.577 -1.920 622 HA LEU 102 HA LEU 102 -11.699 -5.063 -1.613 623 1HB LEU 102 2HB LEU 102 -9.212 -4.473 -3.243 624 2HB LEU 102 1HB LEU 102 -10.246 -5.891 -3.392 625 HG LEU 102 HG LEU 102 -11.303 -3.083 -3.751 626 1HD1 LEU 102 1HD1 LEU 102 -11.194 -4.029 -6.274 627 2HD1 LEU 102 2HD1 LEU 102 -9.762 -4.819 -5.612 628 3HD1 LEU 102 3HD1 LEU 102 -9.901 -3.062 -5.566 629 1HD2 LEU 102 1HD2 LEU 102 -13.106 -4.554 -3.448 630 2HD2 LEU 102 2HD2 LEU 102 -12.282 -5.885 -4.259 631 3HD2 LEU 102 3HD2 LEU 102 -12.928 -4.541 -5.202 632 H GLY 103 H GLY 103 -8.158 -4.724 -1.774 633 1HA GLY 103 2HA GLY 103 -7.627 -5.261 0.980 634 2HA GLY 103 1HA GLY 103 -7.639 -6.785 0.093 635 H HIS 104 H HIS 104 -5.266 -6.374 1.077 636 HA HIS 104 HA HIS 104 -3.643 -5.300 -1.200 637 1HB HIS 104 2HB HIS 104 -3.446 -4.814 1.773 638 2HB HIS 104 1HB HIS 104 -2.068 -4.548 0.704 639 HD1 HIS 104 HD1 HIS 104 -5.558 -3.292 1.398 640 HD2 HIS 104 HD2 HIS 104 -2.264 -2.267 -0.941 641 HE1 HIS 104 HE1 HIS 104 -6.040 -0.991 0.450 642 H VAL 105 H VAL 105 -2.122 -6.760 -1.882 643 HA VAL 105 HA VAL 105 -1.582 -9.142 -0.137 644 HB VAL 105 HB VAL 105 -1.501 -8.640 -3.124 645 1HG1 VAL 105 1HG1 VAL 105 -1.166 -11.406 -2.222 646 2HG1 VAL 105 2HG1 VAL 105 0.176 -10.372 -1.741 647 3HG1 VAL 105 3HG1 VAL 105 -0.264 -10.510 -3.444 648 1HG2 VAL 105 1HG2 VAL 105 -3.055 -10.823 -1.803 649 2HG2 VAL 105 2HG2 VAL 105 -3.462 -9.857 -3.222 650 3HG2 VAL 105 3HG2 VAL 105 -3.646 -9.173 -1.605 651 H ALA 106 H ALA 106 0.489 -9.365 0.650 652 HA ALA 106 HA ALA 106 2.527 -7.375 -0.045 653 1HB ALA 106 1HB ALA 106 1.991 -9.445 1.976 654 2HB ALA 106 2HB ALA 106 2.782 -7.879 2.157 655 3HB ALA 106 3HB ALA 106 3.698 -9.267 1.574 656 H LEU 107 H LEU 107 4.191 -7.670 -1.468 657 HA LEU 107 HA LEU 107 4.543 -10.395 -2.672 658 1HB LEU 107 2HB LEU 107 5.377 -7.758 -3.893 659 2HB LEU 107 1HB LEU 107 5.002 -9.273 -4.712 660 HG LEU 107 HG LEU 107 2.956 -7.643 -3.177 661 1HD1 LEU 107 1HD1 LEU 107 3.244 -6.223 -4.953 662 2HD1 LEU 107 2HD1 LEU 107 2.208 -7.404 -5.758 663 3HD1 LEU 107 3HD1 LEU 107 3.959 -7.474 -5.971 664 1HD2 LEU 107 1HD2 LEU 107 2.729 -9.956 -5.131 665 2HD2 LEU 107 2HD2 LEU 107 1.364 -9.081 -4.436 666 3HD2 LEU 107 3HD2 LEU 107 2.425 -10.032 -3.397 667 H THR 108 H THR 108 6.864 -10.783 -3.440 668 HA THR 108 HA THR 108 8.946 -9.243 -2.004 669 HB THR 108 HB THR 108 8.775 -12.208 -1.596 670 HG1 THR 108 HG1 THR 108 7.595 -10.253 0.070 671 1HG2 THR 108 1HG2 THR 108 10.365 -9.967 -0.626 672 2HG2 THR 108 2HG2 THR 108 10.703 -11.696 -0.547 673 3HG2 THR 108 3HG2 THR 108 9.702 -10.936 0.690 674 H PHE 109 H PHE 109 10.736 -9.143 -3.302 675 HA PHE 109 HA PHE 109 10.847 -10.884 -5.706 676 1HB PHE 109 2HB PHE 109 12.123 -8.328 -4.751 677 2HB PHE 109 1HB PHE 109 12.794 -9.192 -6.134 678 HD1 PHE 109 HD1 PHE 109 11.838 -8.951 -8.274 679 HD2 PHE 109 HD2 PHE 109 9.602 -7.767 -4.800 680 HE1 PHE 109 HE1 PHE 109 10.095 -7.968 -9.739 681 HE2 PHE 109 HE2 PHE 109 7.860 -6.783 -6.266 682 HZ PHE 109 HZ PHE 109 8.098 -6.880 -8.729 683 H GLY 110 H GLY 110 11.451 -12.763 -4.152 684 1HA GLY 110 2HA GLY 110 13.661 -14.054 -4.321 685 2HA GLY 110 1HA GLY 110 14.371 -12.657 -3.511 686 2H2' ROM 111 2H2' ROM 111 -9.442 5.162 -8.235 687 2H3' ROM 111 2H3' ROM 111 -7.425 6.453 -8.852 688 H'1 ROM 111 H'1 ROM 111 -3.561 5.799 -10.070 689 3H18 ROM 111 3H18 ROM 111 -2.800 2.038 -0.126 690 2H18 ROM 111 2H18 ROM 111 -3.797 3.156 0.674 691 2H23 ROM 111 2H23 ROM 111 -5.122 7.988 -2.395 692 H1' ROM 111 H1' ROM 111 -7.874 8.117 -7.248 693 H2' ROM 111 H2' ROM 111 -10.607 7.160 -8.023 694 H3' ROM 111 H3' ROM 111 -9.556 6.657 -10.149 695 H4' ROM 111 H4' ROM 111 -10.389 8.911 -10.061 696 1H6B ROM 111 1H6B ROM 111 -10.397 11.109 -9.567 697 3H6B ROM 111 3H6B ROM 111 -9.437 11.798 -8.256 698 2H6B ROM 111 2H6B ROM 111 -8.749 11.654 -9.875 699 1H6A ROM 111 1H6A ROM 111 -6.933 8.960 -9.166 700 3H6A ROM 111 3H6A ROM 111 -7.004 10.709 -9.325 701 2H6A ROM 111 2H6A ROM 111 -7.026 9.966 -7.726 702 1H4B ROM 111 1H4B ROM 111 -10.461 9.476 -12.261 703 3H4B ROM 111 3H4B ROM 111 -9.819 10.883 -11.402 704 2H4B ROM 111 2H4B ROM 111 -9.042 10.330 -12.892 705 1H4A ROM 111 1H4A ROM 111 -7.433 7.540 -11.625 706 3H4A ROM 111 3H4A ROM 111 -9.155 7.236 -11.915 707 2H4A ROM 111 2H4A ROM 111 -8.230 8.244 -13.043 708 H'8 ROM 111 H'8 ROM 111 0.429 5.322 -7.745 709 H'6 ROM 111 H'6 ROM 111 1.053 8.556 -10.461 710 1H3A ROM 111 1H3A ROM 111 -2.527 9.206 -13.853 711 2H3A ROM 111 2H3A ROM 111 -3.987 9.706 -12.829 712 1H7A ROM 111 1H7A ROM 111 3.513 8.593 -8.559 713 3H7A ROM 111 3H7A ROM 111 1.809 9.024 -8.696 714 2H7A ROM 111 2H7A ROM 111 2.440 8.401 -7.175 715 H3 ROM 111 H3 ROM 111 -4.601 6.692 -6.783 716 H6 ROM 111 H6 ROM 111 -7.619 3.430 -4.635 717 H5 ROM 111 H5 ROM 111 -5.594 2.616 -5.820 718 H12 ROM 111 H12 ROM 111 -5.233 9.014 -5.533 719 H8 ROM 111 H8 ROM 111 -9.306 5.753 -4.692 720 H13 ROM 111 H13 ROM 111 -3.884 3.276 -7.644 721 H10 ROM 111 H10 ROM 111 -8.725 8.973 -3.136 722 H11 ROM 111 H11 ROM 111 -6.515 10.271 -3.687 723 2H14 ROM 111 2H14 ROM 111 -2.349 2.632 -6.124 724 1H14 ROM 111 1H14 ROM 111 -1.794 4.300 -5.924 725 2H17 ROM 111 2H17 ROM 111 -3.657 2.086 -2.837 726 1H17 ROM 111 1H17 ROM 111 -2.048 2.182 -2.120 727 H18 ROM 111 H18 ROM 111 -2.735 4.344 -1.041 728 H20 ROM 111 H20 ROM 111 -5.879 2.485 -1.651 729 H24 ROM 111 H24 ROM 111 -3.874 6.236 -1.854 730 4H18 ROM 111 4H18 ROM 111 -4.474 2.040 -0.412 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -19.265 -7.608 3.387 2 2H ALA 1 2H ALA 1 -18.304 -8.998 3.553 3 3H ALA 1 3H ALA 1 -19.138 -8.710 2.101 4 HA ALA 1 HA ALA 1 -17.753 -6.546 2.003 5 1HB ALA 1 1HB ALA 1 -15.505 -7.207 3.207 6 2HB ALA 1 2HB ALA 1 -16.552 -8.253 4.166 7 3HB ALA 1 3HB ALA 1 -16.821 -6.510 4.151 8 HA PRO 2 HA PRO 2 -16.162 -9.038 -1.253 9 1HB PRO 2 2HB PRO 2 -14.429 -7.240 -2.364 10 2HB PRO 2 1HB PRO 2 -16.190 -7.130 -2.552 11 1HG PRO 2 2HG PRO 2 -14.382 -5.604 -0.751 12 2HG PRO 2 1HG PRO 2 -15.837 -5.072 -1.608 13 1HD PRO 2 2HD PRO 2 -15.767 -5.703 1.069 14 2HD PRO 2 1HD PRO 2 -17.231 -5.773 0.062 15 H ALA 3 H ALA 3 -13.597 -9.083 -2.261 16 HA ALA 3 HA ALA 3 -11.655 -9.237 -0.046 17 1HB ALA 3 1HB ALA 3 -11.470 -11.579 -0.046 18 2HB ALA 3 2HB ALA 3 -12.242 -11.730 -1.624 19 3HB ALA 3 3HB ALA 3 -13.208 -11.330 -0.203 20 H PHE 4 H PHE 4 -9.571 -10.396 -1.058 21 HA PHE 4 HA PHE 4 -9.223 -9.924 -3.947 22 1HB PHE 4 2HB PHE 4 -9.049 -7.679 -2.945 23 2HB PHE 4 1HB PHE 4 -7.847 -8.272 -1.802 24 HD1 PHE 4 HD1 PHE 4 -5.697 -9.342 -2.791 25 HD2 PHE 4 HD2 PHE 4 -8.377 -6.846 -5.038 26 HE1 PHE 4 HE1 PHE 4 -3.902 -8.902 -4.446 27 HE2 PHE 4 HE2 PHE 4 -6.581 -6.408 -6.693 28 HZ PHE 4 HZ PHE 4 -4.342 -7.436 -6.396 29 H SER 5 H SER 5 -7.616 -11.351 -4.681 30 HA SER 5 HA SER 5 -5.541 -12.260 -2.745 31 1HB SER 5 2HB SER 5 -7.787 -13.851 -3.913 32 2HB SER 5 1HB SER 5 -6.242 -14.657 -3.658 33 HG SER 5 HG SER 5 -7.957 -14.488 -1.873 34 H VAL 6 H VAL 6 -3.721 -13.229 -3.761 35 HA VAL 6 HA VAL 6 -3.576 -12.877 -6.739 36 HB VAL 6 HB VAL 6 -2.323 -11.218 -5.399 37 1HG1 VAL 6 1HG1 VAL 6 -1.290 -13.736 -4.118 38 2HG1 VAL 6 2HG1 VAL 6 -1.891 -12.269 -3.350 39 3HG1 VAL 6 3HG1 VAL 6 -0.306 -12.274 -4.115 40 1HG2 VAL 6 1HG2 VAL 6 -0.078 -11.630 -6.355 41 2HG2 VAL 6 2HG2 VAL 6 -1.341 -11.989 -7.533 42 3HG2 VAL 6 3HG2 VAL 6 -0.529 -13.304 -6.683 43 H SER 7 H SER 7 -1.828 -14.359 -7.710 44 HA SER 7 HA SER 7 -2.187 -17.070 -6.659 45 1HB SER 7 2HB SER 7 -2.175 -17.064 -8.966 46 2HB SER 7 1HB SER 7 -1.034 -15.727 -9.065 47 HG SER 7 HG SER 7 -0.564 -18.348 -9.208 48 HA PRO 8 HA PRO 8 2.442 -16.957 -5.762 49 1HB PRO 8 2HB PRO 8 4.031 -14.945 -6.683 50 2HB PRO 8 1HB PRO 8 3.633 -16.371 -7.664 51 1HG PRO 8 2HG PRO 8 2.513 -13.625 -7.791 52 2HG PRO 8 1HG PRO 8 2.839 -14.772 -9.099 53 1HD PRO 8 2HD PRO 8 0.337 -14.285 -8.037 54 2HD PRO 8 1HD PRO 8 0.811 -15.769 -8.887 55 H ALA 9 H ALA 9 4.212 -14.932 -4.828 56 HA ALA 9 HA ALA 9 3.127 -12.639 -3.611 57 1HB ALA 9 1HB ALA 9 2.224 -15.192 -2.480 58 2HB ALA 9 2HB ALA 9 1.540 -13.578 -2.292 59 3HB ALA 9 3HB ALA 9 2.886 -14.092 -1.273 60 H SER 10 H SER 10 5.294 -15.384 -3.379 61 HA SER 10 HA SER 10 7.275 -13.625 -1.970 62 1HB SER 10 2HB SER 10 7.957 -15.703 -0.736 63 2HB SER 10 1HB SER 10 6.309 -15.198 -0.377 64 HG SER 10 HG SER 10 6.113 -17.309 -0.846 65 H GLY 11 H GLY 11 9.537 -14.253 -2.424 66 1HA GLY 11 2HA GLY 11 11.234 -14.755 -3.969 67 2HA GLY 11 1HA GLY 11 10.371 -16.278 -4.189 68 H LEU 12 H LEU 12 9.601 -12.887 -4.990 69 HA LEU 12 HA LEU 12 8.554 -13.752 -7.610 70 1HB LEU 12 2HB LEU 12 8.721 -11.050 -6.257 71 2HB LEU 12 1HB LEU 12 7.734 -11.448 -7.666 72 HG LEU 12 HG LEU 12 7.485 -12.835 -4.989 73 1HD1 LEU 12 1HD1 LEU 12 5.806 -10.631 -6.210 74 2HD1 LEU 12 2HD1 LEU 12 6.859 -10.468 -4.805 75 3HD1 LEU 12 3HD1 LEU 12 5.431 -11.498 -4.722 76 1HD2 LEU 12 1HD2 LEU 12 6.290 -14.295 -6.225 77 2HD2 LEU 12 2HD2 LEU 12 6.425 -13.276 -7.659 78 3HD2 LEU 12 3HD2 LEU 12 5.126 -12.999 -6.498 79 H SER 13 H SER 13 9.122 -11.403 -9.055 80 HA SER 13 HA SER 13 11.993 -10.870 -9.094 81 1HB SER 13 2HB SER 13 10.697 -12.945 -10.801 82 2HB SER 13 1HB SER 13 11.945 -11.951 -11.545 83 HG SER 13 HG SER 13 13.411 -12.744 -10.169 84 H ASP 14 H ASP 14 12.481 -9.162 -10.593 85 HA ASP 14 HA ASP 14 10.360 -7.347 -11.200 86 1HB ASP 14 2HB ASP 14 12.120 -6.078 -12.238 87 2HB ASP 14 1HB ASP 14 12.858 -6.935 -10.885 88 H GLY 15 H GLY 15 8.990 -7.273 -12.943 89 1HA GLY 15 2HA GLY 15 8.446 -7.479 -15.286 90 2HA GLY 15 1HA GLY 15 9.765 -8.636 -15.454 91 H GLN 16 H GLN 16 8.855 -10.039 -12.964 92 HA GLN 16 HA GLN 16 7.340 -12.130 -14.116 93 1HB GLN 16 2HB GLN 16 8.441 -12.616 -12.108 94 2HB GLN 16 1HB GLN 16 7.904 -11.123 -11.343 95 1HG GLN 16 2HG GLN 16 6.697 -12.977 -10.340 96 2HG GLN 16 1HG GLN 16 5.570 -12.038 -11.313 97 1HE2 GLN 16 1HE2 GLN 16 4.654 -14.505 -10.917 98 2HE2 GLN 16 2HE2 GLN 16 4.909 -15.519 -12.246 99 H SER 17 H SER 17 5.124 -12.566 -14.210 100 HA SER 17 HA SER 17 3.293 -10.294 -13.525 101 1HB SER 17 2HB SER 17 2.578 -12.419 -15.488 102 2HB SER 17 1HB SER 17 2.250 -10.691 -15.547 103 HG SER 17 HG SER 17 4.229 -10.331 -16.335 104 H VAL 18 H VAL 18 2.101 -10.837 -11.729 105 HA VAL 18 HA VAL 18 1.650 -13.689 -11.071 106 HB VAL 18 HB VAL 18 0.973 -12.758 -8.918 107 1HG1 VAL 18 1HG1 VAL 18 3.450 -12.824 -9.679 108 2HG1 VAL 18 2HG1 VAL 18 3.061 -11.833 -8.274 109 3HG1 VAL 18 3HG1 VAL 18 3.307 -11.074 -9.848 110 1HG2 VAL 18 1HG2 VAL 18 -0.230 -10.783 -10.013 111 2HG2 VAL 18 2HG2 VAL 18 1.350 -10.010 -10.140 112 3HG2 VAL 18 3HG2 VAL 18 0.686 -10.404 -8.554 113 H SER 19 H SER 19 -0.493 -14.537 -10.795 114 HA SER 19 HA SER 19 -2.520 -13.226 -12.505 115 1HB SER 19 2HB SER 19 -3.561 -15.367 -12.457 116 2HB SER 19 1HB SER 19 -1.832 -15.707 -12.472 117 HG SER 19 HG SER 19 -3.262 -16.794 -10.836 118 H VAL 20 H VAL 20 -3.526 -11.559 -11.384 119 HA VAL 20 HA VAL 20 -4.244 -11.926 -8.539 120 HB VAL 20 HB VAL 20 -4.573 -9.665 -10.532 121 1HG1 VAL 20 1HG1 VAL 20 -5.158 -9.843 -7.566 122 2HG1 VAL 20 2HG1 VAL 20 -6.288 -9.432 -8.858 123 3HG1 VAL 20 3HG1 VAL 20 -4.992 -8.315 -8.430 124 1HG2 VAL 20 1HG2 VAL 20 -2.458 -10.540 -8.664 125 2HG2 VAL 20 2HG2 VAL 20 -2.858 -8.824 -8.583 126 3HG2 VAL 20 3HG2 VAL 20 -2.340 -9.537 -10.110 127 H SER 21 H SER 21 -6.494 -11.415 -7.885 128 HA SER 21 HA SER 21 -8.621 -11.664 -9.874 129 1HB SER 21 2HB SER 21 -8.836 -13.911 -9.779 130 2HB SER 21 1HB SER 21 -7.376 -13.977 -8.797 131 HG SER 21 HG SER 21 -9.202 -14.912 -7.752 132 H VAL 22 H VAL 22 -10.019 -10.198 -9.047 133 HA VAL 22 HA VAL 22 -10.318 -9.940 -6.101 134 HB VAL 22 HB VAL 22 -11.249 -8.162 -8.375 135 1HG1 VAL 22 1HG1 VAL 22 -12.307 -7.987 -6.038 136 2HG1 VAL 22 2HG1 VAL 22 -11.627 -6.507 -6.715 137 3HG1 VAL 22 3HG1 VAL 22 -10.731 -7.413 -5.496 138 1HG2 VAL 22 1HG2 VAL 22 -8.871 -8.225 -8.533 139 2HG2 VAL 22 2HG2 VAL 22 -8.679 -8.227 -6.781 140 3HG2 VAL 22 3HG2 VAL 22 -9.231 -6.769 -7.605 141 H SER 23 H SER 23 -12.508 -9.872 -5.224 142 HA SER 23 HA SER 23 -14.734 -10.651 -7.018 143 1HB SER 23 2HB SER 23 -13.237 -12.638 -6.075 144 2HB SER 23 1HB SER 23 -14.213 -12.387 -4.630 145 HG SER 23 HG SER 23 -15.145 -13.895 -6.107 146 H GLY 24 H GLY 24 -16.830 -10.588 -5.838 147 1HA GLY 24 2HA GLY 24 -18.256 -9.887 -4.068 148 2HA GLY 24 1HA GLY 24 -16.828 -9.486 -3.114 149 H ALA 25 H ALA 25 -16.469 -8.181 -6.173 150 HA ALA 25 HA ALA 25 -17.005 -5.472 -5.154 151 1HB ALA 25 1HB ALA 25 -16.198 -5.503 -7.879 152 2HB ALA 25 2HB ALA 25 -15.308 -6.787 -7.062 153 3HB ALA 25 3HB ALA 25 -15.208 -5.126 -6.470 154 H ALA 26 H ALA 26 -18.454 -7.800 -7.325 155 HA ALA 26 HA ALA 26 -20.591 -7.752 -8.350 156 1HB ALA 26 1HB ALA 26 -22.072 -6.548 -7.135 157 2HB ALA 26 2HB ALA 26 -21.282 -5.030 -7.562 158 3HB ALA 26 3HB ALA 26 -20.688 -5.982 -6.201 159 H ALA 27 H ALA 27 -20.905 -7.412 -10.462 160 HA ALA 27 HA ALA 27 -19.272 -5.888 -12.144 161 1HB ALA 27 1HB ALA 27 -22.154 -6.247 -12.836 162 2HB ALA 27 2HB ALA 27 -21.230 -7.698 -12.448 163 3HB ALA 27 3HB ALA 27 -20.720 -6.655 -13.775 164 H GLY 28 H GLY 28 -19.351 -3.787 -12.894 165 1HA GLY 28 2HA GLY 28 -20.543 -1.699 -13.354 166 2HA GLY 28 1HA GLY 28 -21.581 -2.054 -11.975 167 H GLU 29 H GLU 29 -18.232 -2.705 -11.573 168 HA GLU 29 HA GLU 29 -17.856 -0.107 -10.139 169 1HB GLU 29 2HB GLU 29 -17.060 -2.847 -9.128 170 2HB GLU 29 1HB GLU 29 -16.999 -1.326 -8.238 171 1HG GLU 29 2HG GLU 29 -19.589 -2.394 -9.365 172 2HG GLU 29 1HG GLU 29 -19.007 -2.870 -7.770 173 H THR 30 H THR 30 -15.847 0.772 -10.454 174 HA THR 30 HA THR 30 -13.834 -0.875 -11.944 175 HB THR 30 HB THR 30 -13.862 2.121 -11.916 176 HG1 THR 30 HG1 THR 30 -15.402 0.844 -13.834 177 1HG2 THR 30 1HG2 THR 30 -12.084 1.053 -13.128 178 2HG2 THR 30 2HG2 THR 30 -13.221 1.676 -14.324 179 3HG2 THR 30 3HG2 THR 30 -13.212 -0.043 -13.927 180 H TYR 31 H TYR 31 -12.100 -1.373 -10.665 181 HA TYR 31 HA TYR 31 -11.457 0.476 -8.402 182 1HB TYR 31 2HB TYR 31 -10.743 -2.444 -8.815 183 2HB TYR 31 1HB TYR 31 -10.557 -1.511 -7.328 184 HD1 TYR 31 HD1 TYR 31 -12.738 -3.624 -9.202 185 HD2 TYR 31 HD2 TYR 31 -12.712 -0.404 -6.359 186 HE1 TYR 31 HE1 TYR 31 -15.070 -4.170 -8.560 187 HE2 TYR 31 HE2 TYR 31 -15.042 -0.953 -5.717 188 HH TYR 31 HH TYR 31 -16.807 -3.620 -7.303 189 H TYR 32 H TYR 32 -9.076 0.579 -7.898 190 HA TYR 32 HA TYR 32 -7.473 0.494 -10.429 191 1HB TYR 32 2HB TYR 32 -7.289 2.358 -8.039 192 2HB TYR 32 1HB TYR 32 -6.354 2.483 -9.525 193 HD1 TYR 32 HD1 TYR 32 -7.147 3.835 -11.254 194 HD2 TYR 32 HD2 TYR 32 -9.915 2.278 -8.362 195 HE1 TYR 32 HE1 TYR 32 -8.978 5.134 -12.305 196 HE2 TYR 32 HE2 TYR 32 -11.746 3.577 -9.413 197 HH TYR 32 HH TYR 32 -11.123 5.654 -12.250 198 H ILE 33 H ILE 33 -6.305 -1.420 -10.139 199 HA ILE 33 HA ILE 33 -5.176 -2.047 -7.481 200 HB ILE 33 HB ILE 33 -6.207 -3.744 -8.988 201 1HG1 ILE 33 2HG1 ILE 33 -4.293 -4.223 -7.322 202 2HG1 ILE 33 1HG1 ILE 33 -4.598 -5.438 -8.560 203 1HG2 ILE 33 1HG2 ILE 33 -5.704 -3.101 -11.172 204 2HG2 ILE 33 2HG2 ILE 33 -4.582 -4.439 -10.924 205 3HG2 ILE 33 3HG2 ILE 33 -4.016 -2.777 -10.792 206 1HD1 ILE 33 1HD1 ILE 33 -2.483 -5.224 -9.301 207 2HD1 ILE 33 2HD1 ILE 33 -2.172 -4.021 -8.051 208 3HD1 ILE 33 3HD1 ILE 33 -2.759 -3.517 -9.630 209 H ALA 34 H ALA 34 -2.960 -1.912 -6.996 210 HA ALA 34 HA ALA 34 -0.991 -1.299 -9.084 211 1HB ALA 34 1HB ALA 34 -2.280 0.751 -7.345 212 2HB ALA 34 2HB ALA 34 -1.643 0.912 -8.981 213 3HB ALA 34 3HB ALA 34 -0.543 0.910 -7.604 214 H GLN 35 H GLN 35 1.159 -1.489 -8.288 215 HA GLN 35 HA GLN 35 1.380 -2.812 -5.635 216 1HB GLN 35 2HB GLN 35 2.346 -3.991 -7.487 217 2HB GLN 35 1HB GLN 35 3.132 -2.531 -8.086 218 1HG GLN 35 2HG GLN 35 4.852 -2.672 -6.582 219 2HG GLN 35 1HG GLN 35 3.818 -3.321 -5.309 220 1HE2 GLN 35 1HE2 GLN 35 6.480 -4.284 -6.695 221 2HE2 GLN 35 2HE2 GLN 35 6.166 -5.922 -7.008 222 H CYS 36 H CYS 36 2.724 -1.946 -3.990 223 HA CYS 36 HA CYS 36 4.068 0.659 -4.578 224 1HB CYS 36 2HB CYS 36 2.292 0.098 -2.192 225 2HB CYS 36 1HB CYS 36 2.998 1.648 -2.647 226 H ALA 37 H ALA 37 5.282 1.298 -2.385 227 HA ALA 37 HA ALA 37 6.306 -1.014 -0.882 228 1HB ALA 37 1HB ALA 37 8.035 0.623 -2.765 229 2HB ALA 37 2HB ALA 37 7.531 -1.044 -3.036 230 3HB ALA 37 3HB ALA 37 8.613 -0.657 -1.698 231 HA PRO 38 HA PRO 38 6.616 2.445 1.873 232 1HB PRO 38 2HB PRO 38 7.479 1.058 4.055 233 2HB PRO 38 1HB PRO 38 5.794 1.040 3.503 234 1HG PRO 38 2HG PRO 38 7.908 -1.014 3.182 235 2HG PRO 38 1HG PRO 38 6.161 -1.212 3.385 236 1HD PRO 38 2HD PRO 38 7.521 -1.419 0.974 237 2HD PRO 38 1HD PRO 38 5.777 -1.124 1.146 238 H VAL 39 H VAL 39 8.369 3.452 3.226 239 HA VAL 39 HA VAL 39 11.120 2.491 2.702 240 HB VAL 39 HB VAL 39 10.021 5.156 1.796 241 1HG1 VAL 39 1HG1 VAL 39 12.437 5.113 0.704 242 2HG1 VAL 39 2HG1 VAL 39 12.790 4.055 2.069 243 3HG1 VAL 39 3HG1 VAL 39 12.208 5.695 2.353 244 1HG2 VAL 39 1HG2 VAL 39 10.787 2.606 0.400 245 2HG2 VAL 39 2HG2 VAL 39 10.934 4.147 -0.444 246 3HG2 VAL 39 3HG2 VAL 39 9.362 3.616 0.156 247 H GLY 40 H GLY 40 10.476 2.315 5.154 248 1HA GLY 40 2HA GLY 40 11.242 3.077 7.271 249 2HA GLY 40 1HA GLY 40 11.726 4.596 6.514 250 H GLY 41 H GLY 41 8.563 3.639 5.698 251 1HA GLY 41 2HA GLY 41 6.623 4.101 7.310 252 2HA GLY 41 1HA GLY 41 7.472 5.606 7.669 253 H GLN 42 H GLN 42 8.293 6.388 5.134 254 HA GLN 42 HA GLN 42 6.004 7.690 4.077 255 1HB GLN 42 2HB GLN 42 8.657 6.945 2.803 256 2HB GLN 42 1HB GLN 42 7.553 8.174 2.187 257 1HG GLN 42 2HG GLN 42 7.988 9.643 3.927 258 2HG GLN 42 1HG GLN 42 8.421 8.349 5.046 259 1HE2 GLN 42 1HE2 GLN 42 10.168 10.544 4.798 260 2HE2 GLN 42 2HE2 GLN 42 11.582 10.056 3.997 261 H ASP 43 H ASP 43 4.610 7.166 2.357 262 HA ASP 43 HA ASP 43 4.677 4.317 1.457 263 1HB ASP 43 2HB ASP 43 2.546 6.470 1.584 264 2HB ASP 43 1HB ASP 43 2.274 4.886 0.857 265 H ALA 44 H ALA 44 5.565 4.027 -0.563 266 HA ALA 44 HA ALA 44 5.141 6.197 -2.599 267 1HB ALA 44 1HB ALA 44 7.354 5.727 -3.384 268 2HB ALA 44 2HB ALA 44 7.437 4.229 -2.457 269 3HB ALA 44 3HB ALA 44 7.476 5.784 -1.626 270 H CYS 45 H CYS 45 3.430 5.337 -3.805 271 HA CYS 45 HA CYS 45 3.274 2.470 -4.416 272 1HB CYS 45 2HB CYS 45 1.686 4.955 -4.807 273 2HB CYS 45 1HB CYS 45 1.399 3.654 -5.961 274 H ASN 46 H ASN 46 2.705 2.082 -6.941 275 HA ASN 46 HA ASN 46 5.005 3.249 -8.462 276 1HB ASN 46 2HB ASN 46 5.003 0.805 -7.902 277 2HB ASN 46 1HB ASN 46 3.530 0.634 -8.858 278 1HD2 ASN 46 1HD2 ASN 46 6.335 2.725 -9.647 279 2HD2 ASN 46 2HD2 ASN 46 6.736 1.915 -11.081 280 HA PRO 47 HA PRO 47 1.651 4.834 -10.958 281 1HB PRO 47 2HB PRO 47 3.132 6.757 -12.201 282 2HB PRO 47 1HB PRO 47 2.503 6.946 -10.553 283 1HG PRO 47 2HG PRO 47 5.258 6.426 -11.459 284 2HG PRO 47 1HG PRO 47 4.683 7.178 -9.966 285 1HD PRO 47 2HD PRO 47 5.609 4.516 -10.295 286 2HD PRO 47 1HD PRO 47 4.866 5.224 -8.845 287 H ALA 48 H ALA 48 4.690 3.472 -11.874 288 HA ALA 48 HA ALA 48 4.646 3.629 -14.699 289 1HB ALA 48 1HB ALA 48 6.417 2.195 -14.479 290 2HB ALA 48 2HB ALA 48 5.515 1.093 -13.439 291 3HB ALA 48 3HB ALA 48 6.227 2.559 -12.765 292 H THR 49 H THR 49 3.069 1.287 -12.532 293 HA THR 49 HA THR 49 1.879 -0.151 -14.825 294 HB THR 49 HB THR 49 0.870 -1.427 -12.806 295 HG1 THR 49 HG1 THR 49 2.977 -0.260 -11.394 296 1HG2 THR 49 1HG2 THR 49 3.665 -1.833 -12.381 297 2HG2 THR 49 2HG2 THR 49 3.408 -1.477 -14.089 298 3HG2 THR 49 3HG2 THR 49 2.549 -2.818 -13.328 299 H ALA 50 H ALA 50 0.178 0.610 -11.821 300 HA ALA 50 HA ALA 50 -1.975 1.533 -11.489 301 1HB ALA 50 1HB ALA 50 -2.285 3.622 -12.934 302 2HB ALA 50 2HB ALA 50 -0.750 3.205 -13.693 303 3HB ALA 50 3HB ALA 50 -0.810 3.570 -11.969 304 H THR 51 H THR 51 -3.368 -0.164 -12.151 305 HA THR 51 HA THR 51 -4.293 -0.020 -15.000 306 HB THR 51 HB THR 51 -4.639 -2.492 -14.762 307 HG1 THR 51 HG1 THR 51 -3.001 -2.404 -12.506 308 1HG2 THR 51 1HG2 THR 51 -1.932 -1.235 -14.428 309 2HG2 THR 51 2HG2 THR 51 -2.648 -1.951 -15.871 310 3HG2 THR 51 3HG2 THR 51 -2.094 -2.986 -14.555 311 H SER 52 H SER 52 -6.328 0.811 -14.959 312 HA SER 52 HA SER 52 -8.084 0.350 -12.610 313 1HB SER 52 2HB SER 52 -8.458 2.521 -13.173 314 2HB SER 52 1HB SER 52 -7.713 2.316 -14.756 315 HG SER 52 HG SER 52 -10.158 2.722 -14.455 316 H PHE 53 H PHE 53 -9.216 -1.566 -12.730 317 HA PHE 53 HA PHE 53 -10.315 -2.362 -15.412 318 1HB PHE 53 2HB PHE 53 -10.070 -4.652 -14.615 319 2HB PHE 53 1HB PHE 53 -8.540 -3.805 -14.383 320 HD1 PHE 53 HD1 PHE 53 -7.831 -3.068 -12.133 321 HD2 PHE 53 HD2 PHE 53 -11.449 -5.303 -12.733 322 HE1 PHE 53 HE1 PHE 53 -7.941 -3.542 -9.700 323 HE2 PHE 53 HE2 PHE 53 -11.558 -5.778 -10.301 324 HZ PHE 53 HZ PHE 53 -9.805 -4.897 -8.785 325 H THR 54 H THR 54 -12.261 -3.994 -14.951 326 HA THR 54 HA THR 54 -13.995 -2.901 -12.768 327 HB THR 54 HB THR 54 -14.771 -3.407 -15.659 328 HG1 THR 54 HG1 THR 54 -13.858 -1.532 -15.893 329 1HG2 THR 54 1HG2 THR 54 -16.546 -1.686 -14.231 330 2HG2 THR 54 2HG2 THR 54 -16.299 -3.141 -13.267 331 3HG2 THR 54 3HG2 THR 54 -16.886 -3.270 -14.925 332 H THR 55 H THR 55 -15.358 -4.479 -11.825 333 HA THR 55 HA THR 55 -14.619 -7.231 -12.009 334 HB THR 55 HB THR 55 -17.086 -7.357 -10.964 335 HG1 THR 55 HG1 THR 55 -17.947 -5.464 -10.879 336 1HG2 THR 55 1HG2 THR 55 -14.653 -7.467 -9.943 337 2HG2 THR 55 2HG2 THR 55 -16.051 -7.236 -8.892 338 3HG2 THR 55 3HG2 THR 55 -15.060 -5.855 -9.356 339 H ASP 56 H ASP 56 -16.384 -8.960 -12.543 340 HA ASP 56 HA ASP 56 -17.285 -8.432 -15.332 341 1HB ASP 56 2HB ASP 56 -15.816 -10.420 -14.391 342 2HB ASP 56 1HB ASP 56 -17.382 -11.087 -13.926 343 H ALA 57 H ALA 57 -19.359 -10.273 -15.520 344 HA ALA 57 HA ALA 57 -21.583 -8.839 -14.439 345 1HB ALA 57 1HB ALA 57 -22.564 -10.140 -15.993 346 2HB ALA 57 2HB ALA 57 -22.205 -11.580 -15.041 347 3HB ALA 57 3HB ALA 57 -21.028 -10.979 -16.210 348 H SER 58 H SER 58 -19.720 -11.555 -13.203 349 HA SER 58 HA SER 58 -21.663 -12.003 -11.004 350 1HB SER 58 2HB SER 58 -19.007 -13.328 -11.596 351 2HB SER 58 1HB SER 58 -20.295 -13.955 -10.574 352 HG SER 58 HG SER 58 -20.063 -13.868 -13.342 353 H GLY 59 H GLY 59 -19.745 -9.578 -11.426 354 1HA GLY 59 2HA GLY 59 -18.474 -8.174 -10.037 355 2HA GLY 59 1HA GLY 59 -19.243 -9.004 -8.688 356 H ALA 60 H ALA 60 -17.158 -10.481 -11.142 357 HA ALA 60 HA ALA 60 -14.980 -10.773 -9.129 358 1HB ALA 60 1HB ALA 60 -15.237 -13.291 -10.324 359 2HB ALA 60 2HB ALA 60 -16.897 -12.790 -10.001 360 3HB ALA 60 3HB ALA 60 -15.727 -12.865 -8.684 361 H ALA 61 H ALA 61 -13.041 -10.412 -10.148 362 HA ALA 61 HA ALA 61 -12.861 -10.992 -13.085 363 1HB ALA 61 1HB ALA 61 -11.824 -8.574 -11.579 364 2HB ALA 61 2HB ALA 61 -13.251 -8.592 -12.615 365 3HB ALA 61 3HB ALA 61 -11.651 -8.859 -13.311 366 H SER 62 H SER 62 -10.690 -11.407 -13.827 367 HA SER 62 HA SER 62 -8.558 -11.774 -11.805 368 1HB SER 62 2HB SER 62 -9.358 -14.072 -13.575 369 2HB SER 62 1HB SER 62 -8.446 -14.114 -12.071 370 HG SER 62 HG SER 62 -10.271 -14.311 -11.062 371 H PHE 63 H PHE 63 -6.721 -10.995 -12.796 372 HA PHE 63 HA PHE 63 -6.344 -11.562 -15.697 373 1HB PHE 63 2HB PHE 63 -5.785 -9.122 -15.999 374 2HB PHE 63 1HB PHE 63 -7.476 -9.424 -15.600 375 HD1 PHE 63 HD1 PHE 63 -4.215 -8.301 -14.259 376 HD2 PHE 63 HD2 PHE 63 -8.422 -8.713 -13.492 377 HE1 PHE 63 HE1 PHE 63 -3.982 -6.878 -12.241 378 HE2 PHE 63 HE2 PHE 63 -8.185 -7.288 -11.472 379 HZ PHE 63 HZ PHE 63 -5.971 -6.376 -10.845 380 H SER 64 H SER 64 -4.078 -10.678 -16.363 381 HA SER 64 HA SER 64 -2.136 -11.598 -14.312 382 1HB SER 64 2HB SER 64 -0.638 -11.669 -16.307 383 2HB SER 64 1HB SER 64 -2.112 -12.601 -16.546 384 HG SER 64 HG SER 64 -2.906 -11.009 -17.826 385 H PHE 65 H PHE 65 -1.045 -10.082 -13.155 386 HA PHE 65 HA PHE 65 -0.750 -7.332 -14.271 387 1HB PHE 65 2HB PHE 65 -2.185 -7.334 -12.363 388 2HB PHE 65 1HB PHE 65 -1.131 -8.443 -11.490 389 HD1 PHE 65 HD1 PHE 65 -1.059 -5.082 -13.134 390 HD2 PHE 65 HD2 PHE 65 0.399 -7.580 -9.964 391 HE1 PHE 65 HE1 PHE 65 0.175 -3.157 -12.189 392 HE2 PHE 65 HE2 PHE 65 1.634 -5.659 -9.019 393 HZ PHE 65 HZ PHE 65 1.528 -3.443 -10.126 394 H VAL 66 H VAL 66 1.353 -6.556 -14.430 395 HA VAL 66 HA VAL 66 3.549 -8.416 -13.787 396 HB VAL 66 HB VAL 66 3.587 -5.622 -14.945 397 1HG1 VAL 66 1HG1 VAL 66 5.622 -7.024 -16.105 398 2HG1 VAL 66 2HG1 VAL 66 5.595 -7.744 -14.496 399 3HG1 VAL 66 3HG1 VAL 66 5.818 -6.004 -14.679 400 1HG2 VAL 66 1HG2 VAL 66 2.182 -6.810 -16.416 401 2HG2 VAL 66 2HG2 VAL 66 3.062 -8.319 -16.179 402 3HG2 VAL 66 3HG2 VAL 66 3.780 -7.021 -17.132 403 H VAL 67 H VAL 67 5.449 -7.637 -12.607 404 HA VAL 67 HA VAL 67 4.839 -5.563 -10.530 405 HB VAL 67 HB VAL 67 6.173 -7.174 -9.020 406 1HG1 VAL 67 1HG1 VAL 67 3.401 -7.363 -9.996 407 2HG1 VAL 67 2HG1 VAL 67 4.009 -7.282 -8.343 408 3HG1 VAL 67 3HG1 VAL 67 3.990 -8.823 -9.201 409 1HG2 VAL 67 1HG2 VAL 67 6.712 -9.279 -9.764 410 2HG2 VAL 67 2HG2 VAL 67 6.711 -8.478 -11.335 411 3HG2 VAL 67 3HG2 VAL 67 5.292 -9.383 -10.806 412 H ARG 68 H ARG 68 7.019 -4.867 -9.458 413 HA ARG 68 HA ARG 68 9.344 -5.226 -11.272 414 1HB ARG 68 2HB ARG 68 8.072 -2.569 -10.569 415 2HB ARG 68 1HB ARG 68 9.555 -2.775 -11.502 416 1HG ARG 68 2HG ARG 68 8.115 -4.328 -13.012 417 2HG ARG 68 1HG ARG 68 6.742 -3.521 -12.258 418 1HD ARG 68 2HD ARG 68 7.640 -1.329 -12.980 419 2HD ARG 68 1HD ARG 68 8.996 -2.163 -13.769 420 HE ARG 68 HE ARG 68 6.180 -2.850 -14.479 421 1HH1 ARG 68 1HH2 ARG 68 7.484 -0.482 -15.911 422 2HH1 ARG 68 2HH2 ARG 68 8.103 -1.258 -17.331 423 1HH2 ARG 68 1HH1 ARG 68 7.796 -4.461 -16.038 424 2HH2 ARG 68 2HH1 ARG 68 8.278 -3.510 -17.402 425 H LYS 69 H LYS 69 10.683 -6.064 -9.689 426 HA LYS 69 HA LYS 69 10.834 -5.612 -6.970 427 1HB LYS 69 2HB LYS 69 12.226 -7.177 -8.223 428 2HB LYS 69 1HB LYS 69 13.073 -5.841 -8.994 429 1HG LYS 69 2HG LYS 69 13.592 -5.082 -6.553 430 2HG LYS 69 1HG LYS 69 13.200 -6.751 -6.134 431 1HD LYS 69 2HD LYS 69 15.573 -6.640 -6.526 432 2HD LYS 69 1HD LYS 69 14.845 -7.492 -7.886 433 1HE LYS 69 2HE LYS 69 14.875 -5.413 -9.225 434 2HE LYS 69 1HE LYS 69 15.605 -4.548 -7.858 435 1HZ LYS 69 1HZ LYS 69 17.331 -5.341 -9.332 436 2HZ LYS 69 2HZ LYS 69 16.734 -6.929 -9.236 437 3HZ LYS 69 3HZ LYS 69 17.410 -6.187 -7.865 438 H SER 70 H SER 70 12.827 -3.781 -9.319 439 HA SER 70 HA SER 70 13.045 -1.569 -7.315 440 1HB SER 70 2HB SER 70 15.006 -0.946 -8.702 441 2HB SER 70 1HB SER 70 15.110 -2.619 -8.162 442 HG SER 70 HG SER 70 14.214 -1.669 -10.689 443 H TYR 71 H TYR 71 12.183 0.442 -7.789 444 HA TYR 71 HA TYR 71 11.671 1.416 -10.459 445 1HB TYR 71 2HB TYR 71 9.279 1.081 -10.545 446 2HB TYR 71 1HB TYR 71 10.006 -0.480 -10.164 447 HD1 TYR 71 HD1 TYR 71 7.988 2.306 -8.891 448 HD2 TYR 71 HD2 TYR 71 9.905 -1.402 -7.882 449 HE1 TYR 71 HE1 TYR 71 6.681 2.205 -6.784 450 HE2 TYR 71 HE2 TYR 71 8.599 -1.505 -5.776 451 HH TYR 71 HH TYR 71 6.520 1.172 -4.765 452 H THR 72 H THR 72 10.524 3.537 -10.376 453 HA THR 72 HA THR 72 11.162 5.013 -7.935 454 HB THR 72 HB THR 72 9.497 6.228 -10.057 455 HG1 THR 72 HG1 THR 72 10.629 5.459 -11.624 456 1HG2 THR 72 1HG2 THR 72 10.824 8.066 -9.655 457 2HG2 THR 72 2HG2 THR 72 12.261 7.092 -9.349 458 3HG2 THR 72 3HG2 THR 72 11.013 7.235 -8.111 459 H GLY 73 H GLY 73 9.698 5.707 -6.371 460 1HA GLY 73 2HA GLY 73 6.857 4.853 -6.765 461 2HA GLY 73 1HA GLY 73 7.659 4.883 -5.194 462 H SER 74 H SER 74 5.398 6.233 -5.179 463 HA SER 74 HA SER 74 6.089 8.915 -4.508 464 1HB SER 74 2HB SER 74 5.916 8.395 -7.274 465 2HB SER 74 1HB SER 74 4.442 9.267 -6.866 466 HG SER 74 HG SER 74 6.871 10.157 -5.795 467 H THR 75 H THR 75 4.520 9.370 -3.023 468 HA THR 75 HA THR 75 2.255 7.960 -2.362 469 HB THR 75 HB THR 75 1.490 9.993 -1.299 470 HG1 THR 75 HG1 THR 75 1.606 11.788 -2.345 471 1HG2 THR 75 1HG2 THR 75 4.055 9.029 -1.040 472 2HG2 THR 75 2HG2 THR 75 3.313 10.223 0.024 473 3HG2 THR 75 3HG2 THR 75 4.329 10.748 -1.318 474 HA PRO 76 HA PRO 76 -0.480 8.386 -5.783 475 1HB PRO 76 2HB PRO 76 -2.775 7.539 -4.568 476 2HB PRO 76 1HB PRO 76 -1.469 6.437 -5.045 477 1HG PRO 76 2HG PRO 76 -2.161 7.498 -2.361 478 2HG PRO 76 1HG PRO 76 -1.501 5.921 -2.820 479 1HD PRO 76 2HD PRO 76 -0.023 8.001 -1.752 480 2HD PRO 76 1HD PRO 76 0.651 6.655 -2.695 481 H GLU 77 H GLU 77 -0.338 10.474 -3.239 482 HA GLU 77 HA GLU 77 -2.890 11.879 -3.859 483 1HB GLU 77 2HB GLU 77 -0.945 11.735 -1.606 484 2HB GLU 77 1HB GLU 77 -1.824 13.251 -1.815 485 1HG GLU 77 2HG GLU 77 -3.810 12.331 -1.192 486 2HG GLU 77 1HG GLU 77 -3.489 10.824 -2.049 487 H GLY 78 H GLY 78 0.233 13.271 -2.866 488 1HA GLY 78 2HA GLY 78 0.420 14.690 -5.470 489 2HA GLY 78 1HA GLY 78 0.281 15.674 -4.015 490 H THR 79 H THR 79 2.068 15.843 -2.616 491 HA THR 79 HA THR 79 4.650 15.952 -3.490 492 HB THR 79 HB THR 79 3.620 16.440 -1.191 493 HG1 THR 79 HG1 THR 79 5.858 16.653 -1.682 494 1HG2 THR 79 1HG2 THR 79 3.457 14.765 0.407 495 2HG2 THR 79 2HG2 THR 79 4.652 13.744 -0.392 496 3HG2 THR 79 3HG2 THR 79 3.020 13.870 -1.048 497 HA PRO 80 HA PRO 80 5.685 11.768 -4.538 498 1HB PRO 80 2HB PRO 80 8.301 12.222 -5.175 499 2HB PRO 80 1HB PRO 80 6.958 12.672 -6.244 500 1HG PRO 80 2HG PRO 80 8.595 14.379 -4.448 501 2HG PRO 80 1HG PRO 80 7.889 14.750 -6.028 502 1HD PRO 80 2HD PRO 80 6.841 15.569 -3.606 503 2HD PRO 80 1HD PRO 80 5.915 15.435 -5.116 504 H VAL 81 H VAL 81 8.103 10.564 -4.036 505 HA VAL 81 HA VAL 81 8.700 11.021 -1.150 506 HB VAL 81 HB VAL 81 7.806 8.487 -2.511 507 1HG1 VAL 81 1HG1 VAL 81 8.145 7.468 -0.214 508 2HG1 VAL 81 2HG1 VAL 81 9.063 8.914 0.207 509 3HG1 VAL 81 3HG1 VAL 81 9.631 7.852 -1.082 510 1HG2 VAL 81 1HG2 VAL 81 6.740 9.922 -0.065 511 2HG2 VAL 81 2HG2 VAL 81 6.002 8.551 -0.892 512 3HG2 VAL 81 3HG2 VAL 81 6.079 10.124 -1.689 513 H GLY 82 H GLY 82 9.573 9.384 -4.173 514 1HA GLY 82 2HA GLY 82 12.074 9.959 -4.701 515 2HA GLY 82 1HA GLY 82 12.369 9.110 -3.184 516 H SER 83 H SER 83 13.669 7.788 -4.887 517 HA SER 83 HA SER 83 12.123 5.993 -6.601 518 1HB SER 83 2HB SER 83 14.367 5.044 -7.018 519 2HB SER 83 1HB SER 83 14.401 6.801 -7.122 520 HG SER 83 HG SER 83 15.435 6.903 -5.222 521 H VAL 84 H VAL 84 12.561 3.534 -6.301 522 HA VAL 84 HA VAL 84 12.650 2.773 -3.418 523 HB VAL 84 HB VAL 84 10.460 2.380 -5.451 524 1HG1 VAL 84 1HG1 VAL 84 10.754 0.766 -2.903 525 2HG1 VAL 84 2HG1 VAL 84 11.144 0.138 -4.504 526 3HG1 VAL 84 3HG1 VAL 84 9.491 0.614 -4.124 527 1HG2 VAL 84 1HG2 VAL 84 10.425 4.267 -3.789 528 2HG2 VAL 84 2HG2 VAL 84 10.406 3.067 -2.496 529 3HG2 VAL 84 3HG2 VAL 84 9.057 3.165 -3.630 530 H ASP 85 H ASP 85 13.057 0.427 -3.143 531 HA ASP 85 HA ASP 85 13.867 -1.126 -5.517 532 1HB ASP 85 2HB ASP 85 15.769 0.011 -3.460 533 2HB ASP 85 1HB ASP 85 16.199 -1.371 -4.470 534 H CYS 86 H CYS 86 13.041 -3.114 -5.037 535 HA CYS 86 HA CYS 86 12.504 -3.954 -2.295 536 1HB CYS 86 2HB CYS 86 11.451 -4.424 -4.792 537 2HB CYS 86 1HB CYS 86 12.341 -5.919 -4.490 538 H ALA 87 H ALA 87 15.360 -3.849 -3.955 539 HA ALA 87 HA ALA 87 16.477 -6.462 -3.735 540 1HB ALA 87 1HB ALA 87 18.100 -5.229 -4.719 541 2HB ALA 87 2HB ALA 87 18.458 -4.515 -3.149 542 3HB ALA 87 3HB ALA 87 17.296 -3.739 -4.225 543 H THR 88 H THR 88 16.490 -3.745 -1.447 544 HA THR 88 HA THR 88 17.028 -5.687 0.774 545 HB THR 88 HB THR 88 19.008 -4.339 0.274 546 HG1 THR 88 HG1 THR 88 19.198 -4.173 2.340 547 1HG2 THR 88 1HG2 THR 88 18.896 -1.876 0.331 548 2HG2 THR 88 2HG2 THR 88 17.152 -1.964 0.575 549 3HG2 THR 88 3HG2 THR 88 17.861 -2.531 -0.938 550 H ALA 89 H ALA 89 14.670 -3.987 -0.560 551 HA ALA 89 HA ALA 89 13.575 -2.881 1.984 552 1HB ALA 89 1HB ALA 89 12.589 -1.203 0.660 553 2HB ALA 89 2HB ALA 89 12.625 -2.205 -0.791 554 3HB ALA 89 3HB ALA 89 14.114 -1.481 -0.181 555 H ALA 90 H ALA 90 11.017 -2.883 1.762 556 HA ALA 90 HA ALA 90 10.234 -5.669 1.011 557 1HB ALA 90 1HB ALA 90 9.095 -5.624 2.967 558 2HB ALA 90 2HB ALA 90 8.334 -4.086 2.558 559 3HB ALA 90 3HB ALA 90 9.931 -4.109 3.308 560 H CYS 91 H CYS 91 8.003 -5.886 0.080 561 HA CYS 91 HA CYS 91 7.086 -3.448 -1.391 562 1HB CYS 91 2HB CYS 91 7.811 -6.189 -2.443 563 2HB CYS 91 1HB CYS 91 6.811 -5.070 -3.367 564 H ASN 92 H ASN 92 4.828 -3.828 -2.316 565 HA ASN 92 HA ASN 92 3.274 -6.014 -1.090 566 1HB ASN 92 2HB ASN 92 1.780 -4.307 0.050 567 2HB ASN 92 1HB ASN 92 3.396 -4.456 0.743 568 1HD2 ASN 92 1HD2 ASN 92 1.166 -2.176 -0.315 569 2HD2 ASN 92 2HD2 ASN 92 2.229 -0.886 -0.609 570 H LEU 93 H LEU 93 0.788 -5.370 -1.531 571 HA LEU 93 HA LEU 93 0.434 -3.952 -4.107 572 1HB LEU 93 2HB LEU 93 1.147 -6.274 -4.643 573 2HB LEU 93 1HB LEU 93 -0.181 -6.895 -3.663 574 HG LEU 93 HG LEU 93 -1.691 -5.423 -5.197 575 1HD1 LEU 93 1HD1 LEU 93 0.191 -4.229 -6.272 576 2HD1 LEU 93 2HD1 LEU 93 -0.771 -5.111 -7.458 577 3HD1 LEU 93 3HD1 LEU 93 0.779 -5.759 -6.924 578 1HD2 LEU 93 1HD2 LEU 93 -0.960 -7.452 -7.029 579 2HD2 LEU 93 2HD2 LEU 93 -2.243 -7.521 -5.819 580 3HD2 LEU 93 3HD2 LEU 93 -0.624 -8.101 -5.424 581 H GLY 94 H GLY 94 -1.731 -3.186 -4.288 582 1HA GLY 94 2HA GLY 94 -3.812 -4.316 -2.550 583 2HA GLY 94 1HA GLY 94 -3.313 -2.684 -2.119 584 H ALA 95 H ALA 95 -5.936 -3.363 -3.002 585 HA ALA 95 HA ALA 95 -6.091 -1.592 -5.389 586 1HB ALA 95 1HB ALA 95 -7.577 -3.267 -6.498 587 2HB ALA 95 2HB ALA 95 -7.247 -4.392 -5.181 588 3HB ALA 95 3HB ALA 95 -5.943 -3.881 -6.253 589 H GLY 96 H GLY 96 -8.463 -0.991 -5.795 590 1HA GLY 96 2HA GLY 96 -10.749 -1.333 -4.525 591 2HA GLY 96 1HA GLY 96 -9.829 -0.686 -3.167 592 H ASN 97 H ASN 97 -12.117 0.634 -4.207 593 HA ASN 97 HA ASN 97 -11.002 2.921 -5.747 594 1HB ASN 97 2HB ASN 97 -13.182 1.484 -6.214 595 2HB ASN 97 1HB ASN 97 -13.890 2.586 -5.033 596 1HD2 ASN 97 1HD2 ASN 97 -15.192 3.620 -6.740 597 2HD2 ASN 97 2HD2 ASN 97 -14.471 4.676 -7.856 598 H SER 98 H SER 98 -12.606 4.979 -4.962 599 HA SER 98 HA SER 98 -11.500 5.753 -2.398 600 1HB SER 98 2HB SER 98 -11.880 7.394 -4.101 601 2HB SER 98 1HB SER 98 -13.557 6.895 -4.304 602 HG SER 98 HG SER 98 -13.877 8.473 -2.929 603 H GLY 99 H GLY 99 -14.732 4.711 -3.484 604 1HA GLY 99 2HA GLY 99 -15.655 4.813 -0.652 605 2HA GLY 99 1HA GLY 99 -16.716 4.731 -2.058 606 H LEU 100 H LEU 100 -14.018 2.656 -2.319 607 HA LEU 100 HA LEU 100 -15.510 0.361 -1.126 608 1HB LEU 100 2HB LEU 100 -15.976 0.831 -3.630 609 2HB LEU 100 1HB LEU 100 -14.329 0.259 -3.899 610 HG LEU 100 HG LEU 100 -15.902 -1.475 -2.124 611 1HD1 LEU 100 1HD1 LEU 100 -17.755 -1.684 -3.382 612 2HD1 LEU 100 2HD1 LEU 100 -16.753 -2.193 -4.740 613 3HD1 LEU 100 3HD1 LEU 100 -17.141 -0.486 -4.521 614 1HD2 LEU 100 1HD2 LEU 100 -14.303 -2.873 -2.874 615 2HD2 LEU 100 2HD2 LEU 100 -13.699 -1.596 -3.931 616 3HD2 LEU 100 3HD2 LEU 100 -14.926 -2.720 -4.516 617 H ASP 101 H ASP 101 -14.143 -1.220 -0.298 618 HA ASP 101 HA ASP 101 -11.198 -0.794 -0.698 619 1HB ASP 101 2HB ASP 101 -12.112 -0.226 1.547 620 2HB ASP 101 1HB ASP 101 -12.730 -1.872 1.691 621 H LEU 102 H LEU 102 -9.954 -2.676 -1.091 622 HA LEU 102 HA LEU 102 -11.523 -5.183 -1.509 623 1HB LEU 102 2HB LEU 102 -9.268 -3.846 -2.980 624 2HB LEU 102 1HB LEU 102 -9.558 -5.573 -3.175 625 HG LEU 102 HG LEU 102 -11.613 -3.391 -3.631 626 1HD1 LEU 102 1HD1 LEU 102 -9.576 -3.875 -5.287 627 2HD1 LEU 102 2HD1 LEU 102 -11.199 -3.559 -5.900 628 3HD1 LEU 102 3HD1 LEU 102 -10.609 -5.217 -5.777 629 1HD2 LEU 102 1HD2 LEU 102 -12.634 -5.590 -4.795 630 2HD2 LEU 102 2HD2 LEU 102 -12.944 -5.197 -3.104 631 3HD2 LEU 102 3HD2 LEU 102 -11.695 -6.371 -3.522 632 H GLY 103 H GLY 103 -8.035 -5.036 -1.734 633 1HA GLY 103 2HA GLY 103 -7.642 -6.020 1.003 634 2HA GLY 103 1HA GLY 103 -7.398 -7.232 -0.250 635 H HIS 104 H HIS 104 -5.258 -6.762 1.222 636 HA HIS 104 HA HIS 104 -3.458 -5.134 -0.532 637 1HB HIS 104 2HB HIS 104 -4.273 -4.206 1.807 638 2HB HIS 104 1HB HIS 104 -3.085 -5.343 2.446 639 HD1 HIS 104 HD1 HIS 104 -0.779 -4.435 2.632 640 HD2 HIS 104 HD2 HIS 104 -2.971 -2.451 -0.304 641 HE1 HIS 104 HE1 HIS 104 0.720 -2.599 1.736 642 H VAL 105 H VAL 105 -2.507 -6.991 -1.518 643 HA VAL 105 HA VAL 105 -1.560 -9.214 0.204 644 HB VAL 105 HB VAL 105 -1.390 -8.755 -2.790 645 1HG1 VAL 105 1HG1 VAL 105 -0.480 -10.830 -2.950 646 2HG1 VAL 105 2HG1 VAL 105 -1.552 -11.489 -1.713 647 3HG1 VAL 105 3HG1 VAL 105 -0.086 -10.630 -1.242 648 1HG2 VAL 105 1HG2 VAL 105 -3.431 -10.022 -2.972 649 2HG2 VAL 105 2HG2 VAL 105 -3.726 -8.745 -1.793 650 3HG2 VAL 105 3HG2 VAL 105 -3.421 -10.395 -1.247 651 H ALA 106 H ALA 106 0.496 -9.223 0.992 652 HA ALA 106 HA ALA 106 2.440 -7.208 0.114 653 1HB ALA 106 1HB ALA 106 2.887 -9.536 1.984 654 2HB ALA 106 2HB ALA 106 1.940 -8.133 2.480 655 3HB ALA 106 3HB ALA 106 3.635 -7.939 2.031 656 H LEU 107 H LEU 107 4.682 -7.916 -0.511 657 HA LEU 107 HA LEU 107 4.729 -10.565 -1.910 658 1HB LEU 107 2HB LEU 107 5.684 -7.910 -3.030 659 2HB LEU 107 1HB LEU 107 5.588 -9.446 -3.888 660 HG LEU 107 HG LEU 107 3.198 -8.011 -2.703 661 1HD1 LEU 107 1HD1 LEU 107 4.434 -7.983 -5.450 662 2HD1 LEU 107 2HD1 LEU 107 3.850 -6.626 -4.488 663 3HD1 LEU 107 3HD1 LEU 107 2.701 -7.729 -5.245 664 1HD2 LEU 107 1HD2 LEU 107 2.585 -9.834 -4.819 665 2HD2 LEU 107 2HD2 LEU 107 2.115 -9.942 -3.122 666 3HD2 LEU 107 3HD2 LEU 107 3.625 -10.673 -3.667 667 H THR 108 H THR 108 7.115 -10.968 -2.672 668 HA THR 108 HA THR 108 9.158 -9.679 -0.975 669 HB THR 108 HB THR 108 8.669 -12.644 -0.817 670 HG1 THR 108 HG1 THR 108 7.683 -12.128 1.206 671 1HG2 THR 108 1HG2 THR 108 9.883 -12.087 1.450 672 2HG2 THR 108 2HG2 THR 108 10.414 -10.651 0.574 673 3HG2 THR 108 3HG2 THR 108 10.820 -12.255 -0.035 674 H PHE 109 H PHE 109 10.612 -9.234 -2.583 675 HA PHE 109 HA PHE 109 11.002 -11.038 -4.857 676 1HB PHE 109 2HB PHE 109 12.185 -8.441 -3.867 677 2HB PHE 109 1HB PHE 109 12.810 -9.253 -5.303 678 HD1 PHE 109 HD1 PHE 109 9.632 -7.955 -3.789 679 HD2 PHE 109 HD2 PHE 109 11.766 -8.980 -7.371 680 HE1 PHE 109 HE1 PHE 109 7.800 -6.984 -5.163 681 HE2 PHE 109 HE2 PHE 109 9.944 -8.013 -8.744 682 HZ PHE 109 HZ PHE 109 7.958 -7.012 -7.645 683 H GLY 110 H GLY 110 13.015 -12.145 -5.297 684 1HA GLY 110 2HA GLY 110 15.161 -12.163 -3.323 685 2HA GLY 110 1HA GLY 110 14.189 -13.636 -3.292 686 2H2' ROM 111 2H2' ROM 111 -9.345 4.327 -7.079 687 2H3' ROM 111 2H3' ROM 111 -7.254 5.700 -7.923 688 H'1 ROM 111 H'1 ROM 111 -4.093 3.812 -8.306 689 3H18 ROM 111 3H18 ROM 111 -5.083 0.340 1.901 690 2H18 ROM 111 2H18 ROM 111 -4.892 -0.588 0.491 691 2H23 ROM 111 2H23 ROM 111 -7.224 5.846 0.160 692 H1' ROM 111 H1' ROM 111 -7.999 6.859 -5.127 693 H2' ROM 111 H2' ROM 111 -10.612 6.210 -6.456 694 H3' ROM 111 H3' ROM 111 -9.244 6.222 -8.488 695 H4' ROM 111 H4' ROM 111 -10.292 8.310 -7.817 696 1H6B ROM 111 1H6B ROM 111 -9.892 10.524 -7.346 697 3H6B ROM 111 3H6B ROM 111 -10.111 10.516 -5.597 698 2H6B ROM 111 2H6B ROM 111 -8.581 11.057 -6.293 699 1H6A ROM 111 1H6A ROM 111 -6.942 7.993 -6.154 700 3H6A ROM 111 3H6A ROM 111 -6.911 9.551 -6.969 701 2H6A ROM 111 2H6A ROM 111 -7.117 9.474 -5.222 702 1H4B ROM 111 1H4B ROM 111 -10.535 8.900 -9.640 703 3H4B ROM 111 3H4B ROM 111 -9.313 9.715 -10.633 704 2H4B ROM 111 2H4B ROM 111 -9.337 7.944 -10.531 705 1H4A ROM 111 1H4A ROM 111 -6.707 8.311 -8.308 706 3H4A ROM 111 3H4A ROM 111 -7.444 7.399 -9.635 707 2H4A ROM 111 2H4A ROM 111 -6.842 9.043 -9.914 708 H'8 ROM 111 H'8 ROM 111 -0.202 5.509 -6.351 709 H'6 ROM 111 H'6 ROM 111 -1.090 8.054 -9.663 710 1H3A ROM 111 1H3A ROM 111 -4.534 5.391 -12.958 711 2H3A ROM 111 2H3A ROM 111 -5.459 6.782 -12.160 712 1H7A ROM 111 1H7A ROM 111 2.067 6.378 -7.334 713 3H7A ROM 111 3H7A ROM 111 1.510 6.522 -9.003 714 2H7A ROM 111 2H7A ROM 111 2.462 7.816 -8.275 715 H3 ROM 111 H3 ROM 111 -4.771 5.436 -4.562 716 H6 ROM 111 H6 ROM 111 -7.792 1.760 -3.252 717 H5 ROM 111 H5 ROM 111 -5.609 1.221 -4.301 718 H12 ROM 111 H12 ROM 111 -5.640 7.483 -2.975 719 H8 ROM 111 H8 ROM 111 -9.604 4.004 -3.208 720 H13 ROM 111 H13 ROM 111 -3.751 2.090 -5.718 721 H10 ROM 111 H10 ROM 111 -9.405 6.946 -1.107 722 H11 ROM 111 H11 ROM 111 -7.197 8.353 -1.112 723 2H14 ROM 111 2H14 ROM 111 -1.710 2.349 -4.444 724 1H14 ROM 111 1H14 ROM 111 -2.433 3.624 -3.455 725 2H17 ROM 111 2H17 ROM 111 -3.951 0.121 -1.414 726 1H17 ROM 111 1H17 ROM 111 -2.434 0.377 -0.552 727 H18 ROM 111 H18 ROM 111 -3.509 1.990 0.932 728 H20 ROM 111 H20 ROM 111 -6.514 0.307 -0.369 729 H24 ROM 111 H24 ROM 111 -4.530 4.037 0.195 730 4H18 ROM 111 4H18 ROM 111 -3.558 -0.291 1.499 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -17.210 -7.808 3.546 2 2H ALA 1 2H ALA 1 -16.699 -6.657 4.684 3 3H ALA 1 3H ALA 1 -15.949 -8.178 4.621 4 HA ALA 1 HA ALA 1 -15.762 -5.990 2.623 5 1HB ALA 1 1HB ALA 1 -14.399 -5.943 4.719 6 2HB ALA 1 2HB ALA 1 -13.404 -6.126 3.273 7 3HB ALA 1 3HB ALA 1 -13.746 -7.525 4.293 8 HA PRO 2 HA PRO 2 -15.228 -9.082 -0.447 9 1HB PRO 2 2HB PRO 2 -13.538 -7.759 -2.158 10 2HB PRO 2 1HB PRO 2 -15.263 -7.376 -2.009 11 1HG PRO 2 2HG PRO 2 -12.908 -5.989 -0.828 12 2HG PRO 2 1HG PRO 2 -14.395 -5.310 -1.507 13 1HD PRO 2 2HD PRO 2 -13.952 -5.550 1.173 14 2HD PRO 2 1HD PRO 2 -15.571 -5.585 0.443 15 H ALA 3 H ALA 3 -12.781 -9.409 -1.962 16 HA ALA 3 HA ALA 3 -10.624 -9.862 -0.006 17 1HB ALA 3 1HB ALA 3 -12.513 -11.912 -1.014 18 2HB ALA 3 2HB ALA 3 -11.568 -11.892 0.475 19 3HB ALA 3 3HB ALA 3 -10.811 -12.376 -1.043 20 H PHE 4 H PHE 4 -8.653 -9.794 -1.042 21 HA PHE 4 HA PHE 4 -8.619 -10.077 -4.030 22 1HB PHE 4 2HB PHE 4 -8.590 -7.721 -3.357 23 2HB PHE 4 1HB PHE 4 -7.269 -8.036 -2.232 24 HD1 PHE 4 HD1 PHE 4 -5.111 -7.552 -2.956 25 HD2 PHE 4 HD2 PHE 4 -8.106 -8.612 -5.834 26 HE1 PHE 4 HE1 PHE 4 -3.475 -7.195 -4.786 27 HE2 PHE 4 HE2 PHE 4 -6.478 -8.253 -7.665 28 HZ PHE 4 HZ PHE 4 -4.161 -7.549 -7.141 29 H SER 5 H SER 5 -7.115 -11.636 -4.635 30 HA SER 5 HA SER 5 -4.716 -11.996 -2.881 31 1HB SER 5 2HB SER 5 -6.506 -14.200 -3.928 32 2HB SER 5 1HB SER 5 -5.090 -14.411 -2.901 33 HG SER 5 HG SER 5 -7.194 -14.353 -1.816 34 H VAL 6 H VAL 6 -2.936 -13.069 -3.952 35 HA VAL 6 HA VAL 6 -3.070 -13.016 -6.950 36 HB VAL 6 HB VAL 6 -1.831 -11.134 -5.893 37 1HG1 VAL 6 1HG1 VAL 6 0.319 -11.761 -4.693 38 2HG1 VAL 6 2HG1 VAL 6 -0.291 -13.415 -4.632 39 3HG1 VAL 6 3HG1 VAL 6 -1.164 -12.122 -3.809 40 1HG2 VAL 6 1HG2 VAL 6 0.561 -12.170 -6.844 41 2HG2 VAL 6 2HG2 VAL 6 -0.673 -11.383 -7.829 42 3HG2 VAL 6 3HG2 VAL 6 -0.650 -13.138 -7.682 43 H SER 7 H SER 7 -1.678 -14.668 -7.984 44 HA SER 7 HA SER 7 -1.647 -17.185 -6.613 45 1HB SER 7 2HB SER 7 -0.822 -16.045 -9.205 46 2HB SER 7 1HB SER 7 0.093 -17.468 -8.714 47 HG SER 7 HG SER 7 -1.604 -18.470 -9.478 48 HA PRO 8 HA PRO 8 2.951 -16.708 -5.896 49 1HB PRO 8 2HB PRO 8 4.446 -14.829 -7.175 50 2HB PRO 8 1HB PRO 8 4.049 -16.395 -7.910 51 1HG PRO 8 2HG PRO 8 2.921 -13.722 -8.447 52 2HG PRO 8 1HG PRO 8 3.125 -15.100 -9.534 53 1HD PRO 8 2HD PRO 8 0.731 -14.311 -8.311 54 2HD PRO 8 1HD PRO 8 1.057 -15.873 -9.082 55 H ALA 9 H ALA 9 4.537 -15.103 -4.748 56 HA ALA 9 HA ALA 9 3.754 -12.419 -4.093 57 1HB ALA 9 1HB ALA 9 2.615 -14.702 -2.514 58 2HB ALA 9 2HB ALA 9 1.846 -13.193 -3.002 59 3HB ALA 9 3HB ALA 9 3.010 -13.203 -1.674 60 H SER 10 H SER 10 6.114 -14.165 -4.559 61 HA SER 10 HA SER 10 7.897 -13.074 -2.575 62 1HB SER 10 2HB SER 10 8.238 -14.958 -1.218 63 2HB SER 10 1HB SER 10 6.501 -15.019 -1.497 64 HG SER 10 HG SER 10 7.605 -17.031 -1.882 65 H GLY 11 H GLY 11 10.146 -13.694 -3.058 66 1HA GLY 11 2HA GLY 11 11.821 -13.996 -4.689 67 2HA GLY 11 1HA GLY 11 11.099 -15.597 -4.814 68 H LEU 12 H LEU 12 9.777 -12.425 -5.686 69 HA LEU 12 HA LEU 12 8.753 -13.437 -8.220 70 1HB LEU 12 2HB LEU 12 8.977 -10.675 -6.994 71 2HB LEU 12 1HB LEU 12 8.010 -11.068 -8.416 72 HG LEU 12 HG LEU 12 7.656 -12.169 -5.617 73 1HD1 LEU 12 1HD1 LEU 12 6.738 -9.926 -5.939 74 2HD1 LEU 12 2HD1 LEU 12 5.423 -11.096 -5.837 75 3HD1 LEU 12 3HD1 LEU 12 5.909 -10.451 -7.405 76 1HD2 LEU 12 1HD2 LEU 12 7.194 -13.986 -7.094 77 2HD2 LEU 12 2HD2 LEU 12 6.399 -12.930 -8.262 78 3HD2 LEU 12 3HD2 LEU 12 5.624 -13.279 -6.717 79 H SER 13 H SER 13 9.206 -11.189 -9.864 80 HA SER 13 HA SER 13 12.093 -10.746 -10.186 81 1HB SER 13 2HB SER 13 11.254 -13.097 -11.102 82 2HB SER 13 1HB SER 13 10.703 -12.125 -12.463 83 HG SER 13 HG SER 13 12.729 -11.696 -12.985 84 H ASP 14 H ASP 14 12.480 -9.062 -11.772 85 HA ASP 14 HA ASP 14 10.352 -7.158 -12.105 86 1HB ASP 14 2HB ASP 14 12.890 -6.835 -12.013 87 2HB ASP 14 1HB ASP 14 12.912 -7.345 -13.701 88 H GLY 15 H GLY 15 8.866 -6.939 -13.744 89 1HA GLY 15 2HA GLY 15 8.009 -7.116 -15.971 90 2HA GLY 15 1HA GLY 15 9.357 -8.173 -16.370 91 H GLN 16 H GLN 16 8.774 -9.744 -13.855 92 HA GLN 16 HA GLN 16 7.349 -11.900 -14.930 93 1HB GLN 16 2HB GLN 16 8.652 -12.210 -12.975 94 2HB GLN 16 1HB GLN 16 7.846 -10.887 -12.134 95 1HG GLN 16 2HG GLN 16 6.060 -12.180 -11.530 96 2HG GLN 16 1HG GLN 16 6.082 -13.090 -13.038 97 1HE2 GLN 16 1HE2 GLN 16 5.750 -14.695 -10.911 98 2HE2 GLN 16 2HE2 GLN 16 7.184 -15.483 -10.472 99 H SER 17 H SER 17 5.170 -12.527 -14.891 100 HA SER 17 HA SER 17 3.209 -10.389 -14.123 101 1HB SER 17 2HB SER 17 3.249 -10.819 -16.499 102 2HB SER 17 1HB SER 17 3.234 -12.561 -16.244 103 HG SER 17 HG SER 17 1.176 -10.669 -15.953 104 H VAL 18 H VAL 18 2.030 -10.950 -12.328 105 HA VAL 18 HA VAL 18 1.889 -13.803 -11.511 106 HB VAL 18 HB VAL 18 1.226 -12.823 -9.361 107 1HG1 VAL 18 1HG1 VAL 18 3.458 -11.154 -10.553 108 2HG1 VAL 18 2HG1 VAL 18 3.655 -12.852 -10.116 109 3HG1 VAL 18 3HG1 VAL 18 3.273 -11.659 -8.873 110 1HG2 VAL 18 1HG2 VAL 18 -0.038 -10.939 -9.554 111 2HG2 VAL 18 2HG2 VAL 18 0.667 -10.518 -11.115 112 3HG2 VAL 18 3HG2 VAL 18 1.510 -10.095 -9.624 113 H SER 19 H SER 19 -0.160 -14.788 -11.024 114 HA SER 19 HA SER 19 -2.404 -13.768 -12.663 115 1HB SER 19 2HB SER 19 -2.506 -16.221 -10.949 116 2HB SER 19 1HB SER 19 -3.137 -15.976 -12.574 117 HG SER 19 HG SER 19 -0.873 -17.103 -11.903 118 H VAL 20 H VAL 20 -3.542 -12.145 -11.585 119 HA VAL 20 HA VAL 20 -3.992 -12.384 -8.665 120 HB VAL 20 HB VAL 20 -4.488 -10.259 -10.758 121 1HG1 VAL 20 1HG1 VAL 20 -5.099 -8.813 -8.801 122 2HG1 VAL 20 2HG1 VAL 20 -5.109 -10.258 -7.790 123 3HG1 VAL 20 3HG1 VAL 20 -6.267 -10.097 -9.111 124 1HG2 VAL 20 1HG2 VAL 20 -2.308 -10.961 -8.971 125 2HG2 VAL 20 2HG2 VAL 20 -2.890 -9.329 -8.641 126 3HG2 VAL 20 3HG2 VAL 20 -2.344 -9.760 -10.262 127 H SER 21 H SER 21 -6.251 -11.826 -7.912 128 HA SER 21 HA SER 21 -8.485 -12.388 -9.715 129 1HB SER 21 2HB SER 21 -8.814 -14.581 -9.168 130 2HB SER 21 1HB SER 21 -7.107 -14.542 -8.740 131 HG SER 21 HG SER 21 -9.385 -14.512 -7.121 132 H VAL 22 H VAL 22 -9.993 -10.956 -8.941 133 HA VAL 22 HA VAL 22 -10.039 -10.385 -6.016 134 HB VAL 22 HB VAL 22 -11.257 -8.849 -8.322 135 1HG1 VAL 22 1HG1 VAL 22 -12.055 -8.397 -5.970 136 2HG1 VAL 22 2HG1 VAL 22 -11.308 -7.005 -6.755 137 3HG1 VAL 22 3HG1 VAL 22 -10.403 -7.933 -5.559 138 1HG2 VAL 22 1HG2 VAL 22 -8.923 -7.569 -7.304 139 2HG2 VAL 22 2HG2 VAL 22 -9.180 -8.216 -8.926 140 3HG2 VAL 22 3HG2 VAL 22 -8.486 -9.239 -7.667 141 H SER 23 H SER 23 -12.046 -10.501 -4.901 142 HA SER 23 HA SER 23 -14.486 -11.272 -6.390 143 1HB SER 23 2HB SER 23 -13.156 -13.349 -6.051 144 2HB SER 23 1HB SER 23 -13.195 -13.065 -4.314 145 HG SER 23 HG SER 23 -15.406 -13.314 -4.350 146 H GLY 24 H GLY 24 -16.348 -10.789 -5.201 147 1HA GLY 24 2HA GLY 24 -17.435 -10.498 -2.978 148 2HA GLY 24 1HA GLY 24 -15.923 -9.788 -2.414 149 H ALA 25 H ALA 25 -15.505 -8.228 -4.871 150 HA ALA 25 HA ALA 25 -16.737 -5.765 -4.166 151 1HB ALA 25 1HB ALA 25 -15.587 -6.882 -6.742 152 2HB ALA 25 2HB ALA 25 -14.768 -5.878 -5.545 153 3HB ALA 25 3HB ALA 25 -16.035 -5.189 -6.555 154 H ALA 26 H ALA 26 -17.851 -4.917 -6.739 155 HA ALA 26 HA ALA 26 -20.199 -6.671 -7.185 156 1HB ALA 26 1HB ALA 26 -20.393 -4.945 -5.188 157 2HB ALA 26 2HB ALA 26 -21.753 -5.188 -6.284 158 3HB ALA 26 3HB ALA 26 -20.692 -3.796 -6.494 159 H ALA 27 H ALA 27 -21.010 -6.450 -9.238 160 HA ALA 27 HA ALA 27 -19.583 -5.256 -11.328 161 1HB ALA 27 1HB ALA 27 -21.706 -6.885 -11.085 162 2HB ALA 27 2HB ALA 27 -21.331 -6.056 -12.595 163 3HB ALA 27 3HB ALA 27 -22.552 -5.396 -11.507 164 H GLY 28 H GLY 28 -19.490 -3.197 -12.139 165 1HA GLY 28 2HA GLY 28 -20.553 -1.052 -12.669 166 2HA GLY 28 1HA GLY 28 -21.485 -1.215 -11.182 167 H GLU 29 H GLU 29 -18.317 -2.240 -10.683 168 HA GLU 29 HA GLU 29 -17.567 0.464 -9.624 169 1HB GLU 29 2HB GLU 29 -16.924 -2.263 -8.481 170 2HB GLU 29 1HB GLU 29 -16.619 -0.701 -7.720 171 1HG GLU 29 2HG GLU 29 -19.389 -0.840 -8.465 172 2HG GLU 29 1HG GLU 29 -18.972 -2.285 -7.542 173 H THR 30 H THR 30 -15.564 1.176 -10.196 174 HA THR 30 HA THR 30 -13.774 -0.706 -11.694 175 HB THR 30 HB THR 30 -13.766 2.305 -11.885 176 HG1 THR 30 HG1 THR 30 -15.443 0.488 -13.272 177 1HG2 THR 30 1HG2 THR 30 -12.446 0.101 -13.182 178 2HG2 THR 30 2HG2 THR 30 -12.185 1.831 -13.409 179 3HG2 THR 30 3HG2 THR 30 -13.405 0.991 -14.366 180 H TYR 31 H TYR 31 -12.096 -1.288 -10.347 181 HA TYR 31 HA TYR 31 -11.116 0.692 -8.339 182 1HB TYR 31 2HB TYR 31 -10.614 -2.282 -8.683 183 2HB TYR 31 1HB TYR 31 -10.132 -1.308 -7.293 184 HD1 TYR 31 HD1 TYR 31 -11.987 -0.079 -5.988 185 HD2 TYR 31 HD2 TYR 31 -12.763 -3.252 -8.777 186 HE1 TYR 31 HE1 TYR 31 -14.218 -0.436 -4.963 187 HE2 TYR 31 HE2 TYR 31 -14.993 -3.607 -7.753 188 HH TYR 31 HH TYR 31 -15.983 -3.099 -5.288 189 H TYR 32 H TYR 32 -8.883 1.232 -8.253 190 HA TYR 32 HA TYR 32 -7.341 0.591 -10.745 191 1HB TYR 32 2HB TYR 32 -6.959 2.904 -8.819 192 2HB TYR 32 1HB TYR 32 -6.367 2.774 -10.475 193 HD1 TYR 32 HD1 TYR 32 -7.696 3.471 -12.305 194 HD2 TYR 32 HD2 TYR 32 -9.486 2.988 -8.430 195 HE1 TYR 32 HE1 TYR 32 -9.790 4.502 -13.144 196 HE2 TYR 32 HE2 TYR 32 -11.581 4.017 -9.269 197 HH TYR 32 HH TYR 32 -12.092 5.751 -11.305 198 H ILE 33 H ILE 33 -5.722 -0.882 -10.336 199 HA ILE 33 HA ILE 33 -4.704 -1.182 -7.561 200 HB ILE 33 HB ILE 33 -5.491 -3.104 -8.942 201 1HG1 ILE 33 2HG1 ILE 33 -2.516 -3.368 -8.545 202 2HG1 ILE 33 1HG1 ILE 33 -3.592 -3.167 -7.161 203 1HG2 ILE 33 1HG2 ILE 33 -4.860 -3.245 -11.095 204 2HG2 ILE 33 2HG2 ILE 33 -3.180 -3.425 -10.591 205 3HG2 ILE 33 3HG2 ILE 33 -3.843 -1.820 -10.895 206 1HD1 ILE 33 1HD1 ILE 33 -3.731 -5.357 -9.252 207 2HD1 ILE 33 2HD1 ILE 33 -4.928 -5.119 -7.979 208 3HD1 ILE 33 3HD1 ILE 33 -3.269 -5.545 -7.561 209 H ALA 34 H ALA 34 -2.344 -1.361 -7.224 210 HA ALA 34 HA ALA 34 -0.457 -0.421 -9.224 211 1HB ALA 34 1HB ALA 34 -0.027 1.702 -7.691 212 2HB ALA 34 2HB ALA 34 -1.704 1.438 -7.213 213 3HB ALA 34 3HB ALA 34 -1.307 1.741 -8.905 214 H GLN 35 H GLN 35 1.676 -0.817 -8.507 215 HA GLN 35 HA GLN 35 1.959 -2.370 -6.021 216 1HB GLN 35 2HB GLN 35 3.093 -3.146 -7.982 217 2HB GLN 35 1HB GLN 35 3.761 -1.545 -8.307 218 1HG GLN 35 2HG GLN 35 5.478 -1.832 -6.853 219 2HG GLN 35 1HG GLN 35 4.443 -2.596 -5.645 220 1HE2 GLN 35 1HE2 GLN 35 3.454 -4.795 -7.158 221 2HE2 GLN 35 2HE2 GLN 35 4.750 -5.822 -7.541 222 H CYS 36 H CYS 36 2.219 -1.232 -4.117 223 HA CYS 36 HA CYS 36 3.806 1.309 -4.226 224 1HB CYS 36 2HB CYS 36 1.786 0.408 -2.161 225 2HB CYS 36 1HB CYS 36 2.443 2.032 -2.372 226 H ALA 37 H ALA 37 4.977 1.792 -2.158 227 HA ALA 37 HA ALA 37 5.779 -0.504 -0.476 228 1HB ALA 37 1HB ALA 37 7.291 -0.923 -2.218 229 2HB ALA 37 2HB ALA 37 8.236 0.154 -1.188 230 3HB ALA 37 3HB ALA 37 7.435 0.785 -2.624 231 HA PRO 38 HA PRO 38 6.161 2.933 2.273 232 1HB PRO 38 2HB PRO 38 7.668 1.782 4.242 233 2HB PRO 38 1HB PRO 38 5.944 1.436 4.010 234 1HG PRO 38 2HG PRO 38 8.318 -0.159 3.179 235 2HG PRO 38 1HG PRO 38 6.762 -0.707 3.825 236 1HD PRO 38 2HD PRO 38 7.399 -0.806 1.172 237 2HD PRO 38 1HD PRO 38 5.739 -0.636 1.775 238 H VAL 39 H VAL 39 7.835 4.373 3.169 239 HA VAL 39 HA VAL 39 10.628 3.918 2.324 240 HB VAL 39 HB VAL 39 8.960 6.208 1.279 241 1HG1 VAL 39 1HG1 VAL 39 11.851 5.522 1.239 242 2HG1 VAL 39 2HG1 VAL 39 11.071 7.104 1.218 243 3HG1 VAL 39 3HG1 VAL 39 11.171 6.151 -0.262 244 1HG2 VAL 39 1HG2 VAL 39 9.381 5.049 -0.942 245 2HG2 VAL 39 2HG2 VAL 39 8.276 4.201 0.138 246 3HG2 VAL 39 3HG2 VAL 39 9.946 3.657 -0.018 247 H GLY 40 H GLY 40 10.946 4.096 4.665 248 1HA GLY 40 2HA GLY 40 11.748 5.403 6.464 249 2HA GLY 40 1HA GLY 40 11.390 6.850 5.521 250 H GLY 41 H GLY 41 8.818 4.591 5.767 251 1HA GLY 41 2HA GLY 41 7.149 4.504 7.582 252 2HA GLY 41 1HA GLY 41 7.607 6.155 8.005 253 H GLN 42 H GLN 42 7.723 6.783 5.019 254 HA GLN 42 HA GLN 42 4.905 7.594 4.786 255 1HB GLN 42 2HB GLN 42 7.260 7.953 2.908 256 2HB GLN 42 1HB GLN 42 5.766 8.890 2.911 257 1HG GLN 42 2HG GLN 42 6.814 8.973 5.554 258 2HG GLN 42 1HG GLN 42 8.142 9.334 4.451 259 1HE2 GLN 42 1HE2 GLN 42 5.749 10.856 6.169 260 2HE2 GLN 42 2HE2 GLN 42 5.504 12.211 5.178 261 H ASP 43 H ASP 43 4.442 7.477 2.070 262 HA ASP 43 HA ASP 43 4.637 4.563 1.386 263 1HB ASP 43 2HB ASP 43 2.403 5.917 2.300 264 2HB ASP 43 1HB ASP 43 2.193 5.959 0.548 265 H ALA 44 H ALA 44 4.610 4.127 -0.915 266 HA ALA 44 HA ALA 44 4.663 6.449 -2.768 267 1HB ALA 44 1HB ALA 44 6.920 6.490 -2.808 268 2HB ALA 44 2HB ALA 44 6.927 4.814 -3.357 269 3HB ALA 44 3HB ALA 44 6.969 5.176 -1.632 270 H CYS 45 H CYS 45 3.112 5.698 -4.201 271 HA CYS 45 HA CYS 45 3.033 2.826 -4.927 272 1HB CYS 45 2HB CYS 45 1.303 5.256 -5.357 273 2HB CYS 45 1HB CYS 45 0.994 3.760 -6.237 274 H ASN 46 H ASN 46 3.137 2.159 -7.181 275 HA ASN 46 HA ASN 46 4.872 3.937 -8.822 276 1HB ASN 46 2HB ASN 46 5.573 1.612 -8.170 277 2HB ASN 46 1HB ASN 46 4.209 0.990 -9.098 278 1HD2 ASN 46 1HD2 ASN 46 6.515 3.654 -9.864 279 2HD2 ASN 46 2HD2 ASN 46 7.034 2.980 -11.333 280 HA PRO 47 HA PRO 47 1.158 4.444 -11.264 281 1HB PRO 47 2HB PRO 47 2.070 6.583 -12.690 282 2HB PRO 47 1HB PRO 47 1.439 6.717 -11.045 283 1HG PRO 47 2HG PRO 47 4.228 6.824 -11.997 284 2HG PRO 47 1HG PRO 47 3.492 7.572 -10.575 285 1HD PRO 47 2HD PRO 47 5.070 5.246 -10.605 286 2HD PRO 47 1HD PRO 47 4.080 5.832 -9.252 287 H ALA 48 H ALA 48 4.415 3.859 -12.264 288 HA ALA 48 HA ALA 48 4.233 3.802 -15.071 289 1HB ALA 48 1HB ALA 48 6.334 3.048 -14.745 290 2HB ALA 48 2HB ALA 48 5.731 1.572 -13.993 291 3HB ALA 48 3HB ALA 48 5.984 3.020 -13.018 292 H THR 49 H THR 49 3.900 0.939 -12.954 293 HA THR 49 HA THR 49 2.430 -0.473 -15.101 294 HB THR 49 HB THR 49 2.654 -2.343 -13.376 295 HG1 THR 49 HG1 THR 49 3.690 -1.915 -11.558 296 1HG2 THR 49 1HG2 THR 49 5.203 -0.948 -14.224 297 2HG2 THR 49 2HG2 THR 49 4.228 -1.975 -15.274 298 3HG2 THR 49 3HG2 THR 49 5.018 -2.664 -13.856 299 H ALA 50 H ALA 50 0.690 1.402 -14.527 300 HA ALA 50 HA ALA 50 -1.043 0.523 -12.262 301 1HB ALA 50 1HB ALA 50 -0.882 2.972 -14.035 302 2HB ALA 50 2HB ALA 50 -0.532 2.867 -12.309 303 3HB ALA 50 3HB ALA 50 -2.194 2.723 -12.883 304 H THR 51 H THR 51 -3.300 0.037 -12.674 305 HA THR 51 HA THR 51 -4.257 -0.086 -15.457 306 HB THR 51 HB THR 51 -2.848 -2.082 -15.244 307 HG1 THR 51 HG1 THR 51 -4.557 -2.572 -16.453 308 1HG2 THR 51 1HG2 THR 51 -4.642 -2.817 -12.917 309 2HG2 THR 51 2HG2 THR 51 -2.993 -2.212 -12.755 310 3HG2 THR 51 3HG2 THR 51 -3.290 -3.763 -13.541 311 H SER 52 H SER 52 -6.453 0.216 -15.436 312 HA SER 52 HA SER 52 -7.885 -0.043 -12.823 313 1HB SER 52 2HB SER 52 -7.695 2.053 -14.464 314 2HB SER 52 1HB SER 52 -9.038 1.244 -15.267 315 HG SER 52 HG SER 52 -10.277 1.829 -13.676 316 H PHE 53 H PHE 53 -9.460 -1.596 -12.609 317 HA PHE 53 HA PHE 53 -10.568 -2.839 -15.098 318 1HB PHE 53 2HB PHE 53 -10.164 -5.052 -14.099 319 2HB PHE 53 1HB PHE 53 -8.652 -4.153 -14.227 320 HD1 PHE 53 HD1 PHE 53 -7.879 -2.813 -12.164 321 HD2 PHE 53 HD2 PHE 53 -10.901 -5.860 -12.017 322 HE1 PHE 53 HE1 PHE 53 -7.551 -3.018 -9.715 323 HE2 PHE 53 HE2 PHE 53 -10.574 -6.066 -9.566 324 HZ PHE 53 HZ PHE 53 -8.899 -4.644 -8.417 325 H THR 54 H THR 54 -12.735 -3.428 -14.912 326 HA THR 54 HA THR 54 -14.109 -2.654 -12.376 327 HB THR 54 HB THR 54 -15.159 -3.199 -15.170 328 HG1 THR 54 HG1 THR 54 -14.329 -1.325 -15.556 329 1HG2 THR 54 1HG2 THR 54 -16.775 -3.416 -13.243 330 2HG2 THR 54 2HG2 THR 54 -17.196 -2.166 -14.413 331 3HG2 THR 54 3HG2 THR 54 -16.459 -1.722 -12.874 332 H THR 55 H THR 55 -15.451 -4.161 -11.299 333 HA THR 55 HA THR 55 -14.816 -6.963 -11.606 334 HB THR 55 HB THR 55 -16.970 -7.011 -10.040 335 HG1 THR 55 HG1 THR 55 -17.798 -5.070 -10.026 336 1HG2 THR 55 1HG2 THR 55 -15.094 -7.465 -8.827 337 2HG2 THR 55 2HG2 THR 55 -15.250 -5.786 -8.311 338 3HG2 THR 55 3HG2 THR 55 -14.154 -6.205 -9.626 339 H ASP 56 H ASP 56 -16.763 -8.576 -11.772 340 HA ASP 56 HA ASP 56 -18.113 -8.024 -14.353 341 1HB ASP 56 2HB ASP 56 -16.868 -10.207 -13.136 342 2HB ASP 56 1HB ASP 56 -18.587 -10.601 -13.058 343 H ALA 57 H ALA 57 -20.404 -9.501 -14.169 344 HA ALA 57 HA ALA 57 -22.220 -7.794 -12.776 345 1HB ALA 57 1HB ALA 57 -22.640 -9.272 -14.786 346 2HB ALA 57 2HB ALA 57 -23.868 -9.403 -13.527 347 3HB ALA 57 3HB ALA 57 -22.632 -10.651 -13.687 348 H SER 58 H SER 58 -20.641 -10.817 -11.899 349 HA SER 58 HA SER 58 -22.196 -11.058 -9.398 350 1HB SER 58 2HB SER 58 -20.341 -12.655 -11.053 351 2HB SER 58 1HB SER 58 -20.210 -12.938 -9.321 352 HG SER 58 HG SER 58 -22.616 -13.071 -9.448 353 H GLY 59 H GLY 59 -19.957 -8.942 -10.216 354 1HA GLY 59 2HA GLY 59 -18.368 -7.694 -9.024 355 2HA GLY 59 1HA GLY 59 -19.037 -8.422 -7.565 356 H ALA 60 H ALA 60 -17.716 -10.347 -10.186 357 HA ALA 60 HA ALA 60 -15.359 -10.997 -8.445 358 1HB ALA 60 1HB ALA 60 -15.690 -13.335 -9.166 359 2HB ALA 60 2HB ALA 60 -17.069 -12.837 -10.145 360 3HB ALA 60 3HB ALA 60 -17.145 -12.710 -8.387 361 H ALA 61 H ALA 61 -13.440 -10.673 -9.514 362 HA ALA 61 HA ALA 61 -13.423 -10.889 -12.500 363 1HB ALA 61 1HB ALA 61 -13.095 -8.599 -10.852 364 2HB ALA 61 2HB ALA 61 -12.878 -8.704 -12.598 365 3HB ALA 61 3HB ALA 61 -11.509 -8.979 -11.521 366 H SER 62 H SER 62 -11.102 -11.065 -13.304 367 HA SER 62 HA SER 62 -9.036 -12.053 -11.506 368 1HB SER 62 2HB SER 62 -11.058 -13.827 -12.599 369 2HB SER 62 1HB SER 62 -9.457 -14.294 -13.162 370 HG SER 62 HG SER 62 -9.808 -15.272 -11.191 371 H PHE 63 H PHE 63 -7.042 -11.868 -12.597 372 HA PHE 63 HA PHE 63 -6.828 -12.169 -15.478 373 1HB PHE 63 2HB PHE 63 -6.500 -9.760 -15.949 374 2HB PHE 63 1HB PHE 63 -8.113 -10.072 -15.307 375 HD1 PHE 63 HD1 PHE 63 -5.035 -8.294 -14.840 376 HD2 PHE 63 HD2 PHE 63 -8.490 -9.791 -12.775 377 HE1 PHE 63 HE1 PHE 63 -4.553 -6.773 -12.945 378 HE2 PHE 63 HE2 PHE 63 -8.010 -8.267 -10.877 379 HZ PHE 63 HZ PHE 63 -6.036 -6.760 -10.959 380 H SER 64 H SER 64 -4.639 -10.965 -16.149 381 HA SER 64 HA SER 64 -2.632 -11.772 -14.096 382 1HB SER 64 2HB SER 64 -1.238 -12.198 -15.943 383 2HB SER 64 1HB SER 64 -2.833 -12.652 -16.535 384 HG SER 64 HG SER 64 -2.939 -10.791 -17.677 385 H PHE 65 H PHE 65 -1.190 -10.294 -13.285 386 HA PHE 65 HA PHE 65 -1.230 -7.515 -14.364 387 1HB PHE 65 2HB PHE 65 -2.540 -7.575 -12.342 388 2HB PHE 65 1HB PHE 65 -1.328 -8.563 -11.525 389 HD1 PHE 65 HD1 PHE 65 -1.878 -5.221 -13.091 390 HD2 PHE 65 HD2 PHE 65 0.471 -7.562 -10.364 391 HE1 PHE 65 HE1 PHE 65 -0.719 -3.168 -12.327 392 HE2 PHE 65 HE2 PHE 65 1.630 -5.511 -9.600 393 HZ PHE 65 HZ PHE 65 1.037 -3.314 -10.578 394 H VAL 66 H VAL 66 0.835 -6.736 -14.767 395 HA VAL 66 HA VAL 66 3.128 -8.489 -14.229 396 HB VAL 66 HB VAL 66 3.006 -5.692 -15.390 397 1HG1 VAL 66 1HG1 VAL 66 5.023 -7.954 -15.530 398 2HG1 VAL 66 2HG1 VAL 66 5.276 -6.322 -14.908 399 3HG1 VAL 66 3HG1 VAL 66 5.047 -6.581 -16.638 400 1HG2 VAL 66 1HG2 VAL 66 2.437 -6.583 -17.458 401 2HG2 VAL 66 2HG2 VAL 66 1.534 -7.664 -16.398 402 3HG2 VAL 66 3HG2 VAL 66 3.084 -8.176 -17.067 403 H VAL 67 H VAL 67 5.132 -7.505 -13.267 404 HA VAL 67 HA VAL 67 4.591 -5.426 -11.195 405 HB VAL 67 HB VAL 67 5.750 -6.966 -9.555 406 1HG1 VAL 67 1HG1 VAL 67 3.341 -6.787 -9.482 407 2HG1 VAL 67 2HG1 VAL 67 3.758 -8.493 -9.320 408 3HG1 VAL 67 3HG1 VAL 67 3.171 -7.871 -10.862 409 1HG2 VAL 67 1HG2 VAL 67 6.006 -8.526 -12.004 410 2HG2 VAL 67 2HG2 VAL 67 5.235 -9.461 -10.726 411 3HG2 VAL 67 3HG2 VAL 67 6.822 -8.742 -10.457 412 H ARG 68 H ARG 68 6.799 -4.866 -10.097 413 HA ARG 68 HA ARG 68 9.097 -5.295 -11.936 414 1HB ARG 68 2HB ARG 68 7.455 -2.954 -11.780 415 2HB ARG 68 1HB ARG 68 9.064 -2.555 -11.170 416 1HG ARG 68 2HG ARG 68 10.015 -2.770 -13.212 417 2HG ARG 68 1HG ARG 68 9.126 -4.251 -13.561 418 1HD ARG 68 2HD ARG 68 7.183 -3.013 -14.271 419 2HD ARG 68 1HD ARG 68 7.887 -1.486 -13.699 420 HE ARG 68 HE ARG 68 9.809 -2.112 -15.374 421 1HH1 ARG 68 1HH2 ARG 68 8.213 -4.463 -16.436 422 2HH1 ARG 68 2HH2 ARG 68 7.485 -3.772 -17.847 423 1HH2 ARG 68 1HH1 ARG 68 8.124 -0.497 -16.895 424 2HH2 ARG 68 2HH1 ARG 68 7.434 -1.525 -18.107 425 H LYS 69 H LYS 69 10.493 -6.200 -10.518 426 HA LYS 69 HA LYS 69 10.686 -6.156 -7.792 427 1HB LYS 69 2HB LYS 69 12.125 -7.274 -9.598 428 2HB LYS 69 1HB LYS 69 13.087 -5.795 -9.585 429 1HG LYS 69 2HG LYS 69 12.581 -6.715 -6.884 430 2HG LYS 69 1HG LYS 69 13.353 -7.976 -7.844 431 1HD LYS 69 2HD LYS 69 14.680 -5.597 -8.543 432 2HD LYS 69 1HD LYS 69 14.500 -5.536 -6.789 433 1HE LYS 69 2HE LYS 69 16.448 -6.792 -6.903 434 2HE LYS 69 1HE LYS 69 15.272 -8.114 -7.049 435 1HZ LYS 69 1HZ LYS 69 16.918 -8.127 -8.862 436 2HZ LYS 69 2HZ LYS 69 16.394 -6.582 -9.336 437 3HZ LYS 69 3HZ LYS 69 15.336 -7.907 -9.432 438 H SER 70 H SER 70 12.392 -3.745 -9.858 439 HA SER 70 HA SER 70 12.521 -1.972 -7.437 440 1HB SER 70 2HB SER 70 14.525 -1.048 -8.567 441 2HB SER 70 1HB SER 70 14.670 -2.782 -8.288 442 HG SER 70 HG SER 70 14.425 -3.149 -10.393 443 H TYR 71 H TYR 71 11.982 0.219 -7.672 444 HA TYR 71 HA TYR 71 11.404 1.492 -10.192 445 1HB TYR 71 2HB TYR 71 9.087 1.225 -10.331 446 2HB TYR 71 1HB TYR 71 9.551 -0.337 -9.660 447 HD1 TYR 71 HD1 TYR 71 8.320 3.061 -8.759 448 HD2 TYR 71 HD2 TYR 71 8.815 -1.018 -7.503 449 HE1 TYR 71 HE1 TYR 71 6.909 3.504 -6.767 450 HE2 TYR 71 HE2 TYR 71 7.404 -0.576 -5.513 451 HH TYR 71 HH TYR 71 5.749 0.949 -4.740 452 H THR 72 H THR 72 11.359 3.712 -9.817 453 HA THR 72 HA THR 72 11.974 4.732 -7.211 454 HB THR 72 HB THR 72 10.757 6.484 -9.278 455 HG1 THR 72 HG1 THR 72 13.198 6.038 -10.085 456 1HG2 THR 72 1HG2 THR 72 13.346 7.284 -8.682 457 2HG2 THR 72 2HG2 THR 72 12.776 6.570 -7.174 458 3HG2 THR 72 3HG2 THR 72 11.878 7.893 -7.920 459 H GLY 73 H GLY 73 10.628 5.263 -5.554 460 1HA GLY 73 2HA GLY 73 7.740 4.912 -5.865 461 2HA GLY 73 1HA GLY 73 8.579 5.321 -4.369 462 H SER 74 H SER 74 6.183 6.616 -5.309 463 HA SER 74 HA SER 74 6.892 9.368 -4.939 464 1HB SER 74 2HB SER 74 6.019 9.638 -7.566 465 2HB SER 74 1HB SER 74 7.688 9.779 -7.024 466 HG SER 74 HG SER 74 8.002 8.087 -8.229 467 H THR 75 H THR 75 5.047 10.006 -3.915 468 HA THR 75 HA THR 75 2.549 8.829 -3.813 469 HB THR 75 HB THR 75 1.762 11.136 -3.235 470 HG1 THR 75 HG1 THR 75 3.064 12.843 -3.625 471 1HG2 THR 75 1HG2 THR 75 4.545 10.538 -2.210 472 2HG2 THR 75 2HG2 THR 75 3.083 9.758 -1.621 473 3HG2 THR 75 3HG2 THR 75 3.312 11.490 -1.391 474 HA PRO 76 HA PRO 76 0.528 9.377 -7.671 475 1HB PRO 76 2HB PRO 76 -2.004 10.153 -6.957 476 2HB PRO 76 1HB PRO 76 -1.407 8.501 -6.756 477 1HG PRO 76 2HG PRO 76 -1.664 10.663 -4.738 478 2HG PRO 76 1HG PRO 76 -1.978 8.927 -4.581 479 1HD PRO 76 2HD PRO 76 0.292 10.110 -3.653 480 2HD PRO 76 1HD PRO 76 0.235 8.423 -4.205 481 H GLU 77 H GLU 77 0.654 12.017 -5.424 482 HA GLU 77 HA GLU 77 1.198 14.001 -7.404 483 1HB GLU 77 2HB GLU 77 -1.392 13.221 -7.533 484 2HB GLU 77 1HB GLU 77 -1.527 14.491 -6.317 485 1HG GLU 77 2HG GLU 77 -0.075 14.910 -8.936 486 2HG GLU 77 1HG GLU 77 -1.797 15.241 -8.744 487 H GLY 78 H GLY 78 2.592 15.108 -6.024 488 1HA GLY 78 2HA GLY 78 1.807 16.930 -4.113 489 2HA GLY 78 1HA GLY 78 1.961 15.435 -3.191 490 H THR 79 H THR 79 4.097 14.364 -3.199 491 HA THR 79 HA THR 79 6.378 16.053 -4.100 492 HB THR 79 HB THR 79 5.471 16.565 -1.703 493 HG1 THR 79 HG1 THR 79 7.355 17.451 -1.800 494 1HG2 THR 79 1HG2 THR 79 5.230 14.248 -0.963 495 2HG2 THR 79 2HG2 THR 79 6.430 15.068 0.035 496 3HG2 THR 79 3HG2 THR 79 6.948 13.960 -1.235 497 HA PRO 80 HA PRO 80 8.160 12.102 -4.880 498 1HB PRO 80 2HB PRO 80 10.826 12.708 -4.686 499 2HB PRO 80 1HB PRO 80 9.819 13.207 -6.060 500 1HG PRO 80 2HG PRO 80 10.721 14.789 -3.702 501 2HG PRO 80 1HG PRO 80 10.552 15.281 -5.395 502 1HD PRO 80 2HD PRO 80 8.730 15.901 -3.456 503 2HD PRO 80 1HD PRO 80 8.317 15.737 -5.176 504 H VAL 81 H VAL 81 8.066 10.497 -3.379 505 HA VAL 81 HA VAL 81 8.841 10.895 -0.602 506 HB VAL 81 HB VAL 81 7.927 8.538 -2.244 507 1HG1 VAL 81 1HG1 VAL 81 9.095 8.566 0.345 508 2HG1 VAL 81 2HG1 VAL 81 8.294 7.216 -0.457 509 3HG1 VAL 81 3HG1 VAL 81 7.364 8.311 0.566 510 1HG2 VAL 81 1HG2 VAL 81 6.451 10.262 -0.237 511 2HG2 VAL 81 2HG2 VAL 81 5.759 8.992 -1.247 512 3HG2 VAL 81 3HG2 VAL 81 6.363 10.475 -1.985 513 H GLY 82 H GLY 82 9.845 8.310 -2.845 514 1HA GLY 82 2HA GLY 82 12.634 8.787 -2.759 515 2HA GLY 82 1HA GLY 82 12.252 7.717 -1.413 516 H SER 83 H SER 83 13.844 6.534 -3.103 517 HA SER 83 HA SER 83 12.506 5.257 -5.365 518 1HB SER 83 2HB SER 83 15.027 4.294 -4.044 519 2HB SER 83 1HB SER 83 14.629 4.339 -5.758 520 HG SER 83 HG SER 83 15.745 6.129 -5.682 521 H VAL 84 H VAL 84 12.364 2.826 -5.479 522 HA VAL 84 HA VAL 84 11.843 1.568 -2.811 523 HB VAL 84 HB VAL 84 10.056 1.945 -5.201 524 1HG1 VAL 84 1HG1 VAL 84 10.135 -0.408 -3.337 525 2HG1 VAL 84 2HG1 VAL 84 9.793 -0.367 -5.065 526 3HG1 VAL 84 3HG1 VAL 84 8.580 0.182 -3.917 527 1HG2 VAL 84 1HG2 VAL 84 8.418 2.298 -3.267 528 2HG2 VAL 84 2HG2 VAL 84 9.716 3.483 -3.392 529 3HG2 VAL 84 3HG2 VAL 84 9.812 2.195 -2.192 530 H ASP 85 H ASP 85 12.105 -0.749 -2.814 531 HA ASP 85 HA ASP 85 12.860 -2.142 -5.286 532 1HB ASP 85 2HB ASP 85 14.777 -0.756 -3.695 533 2HB ASP 85 1HB ASP 85 15.058 -2.484 -3.482 534 H CYS 86 H CYS 86 11.685 -3.978 -4.923 535 HA CYS 86 HA CYS 86 10.997 -5.050 -2.359 536 1HB CYS 86 2HB CYS 86 11.170 -6.503 -5.018 537 2HB CYS 86 1HB CYS 86 10.076 -6.852 -3.681 538 H ALA 87 H ALA 87 13.925 -5.081 -4.085 539 HA ALA 87 HA ALA 87 14.975 -7.674 -3.449 540 1HB ALA 87 1HB ALA 87 16.958 -5.566 -3.527 541 2HB ALA 87 2HB ALA 87 15.732 -5.287 -4.764 542 3HB ALA 87 3HB ALA 87 16.626 -6.807 -4.736 543 H THR 88 H THR 88 15.085 -4.545 -1.786 544 HA THR 88 HA THR 88 15.904 -5.973 0.715 545 HB THR 88 HB THR 88 17.870 -4.923 -0.266 546 HG1 THR 88 HG1 THR 88 17.115 -4.524 2.067 547 1HG2 THR 88 1HG2 THR 88 15.934 -2.960 -1.085 548 2HG2 THR 88 2HG2 THR 88 17.606 -3.148 -1.616 549 3HG2 THR 88 3HG2 THR 88 17.236 -2.165 -0.199 550 H ALA 89 H ALA 89 13.400 -4.576 -0.598 551 HA ALA 89 HA ALA 89 12.714 -2.932 1.807 552 1HB ALA 89 1HB ALA 89 11.853 -1.282 0.403 553 2HB ALA 89 2HB ALA 89 11.539 -2.425 -0.904 554 3HB ALA 89 3HB ALA 89 13.186 -1.882 -0.583 555 H ALA 90 H ALA 90 10.296 -2.842 2.164 556 HA ALA 90 HA ALA 90 9.108 -5.517 1.677 557 1HB ALA 90 1HB ALA 90 7.950 -3.225 3.265 558 2HB ALA 90 2HB ALA 90 9.265 -4.208 3.910 559 3HB ALA 90 3HB ALA 90 7.719 -4.955 3.515 560 H CYS 91 H CYS 91 8.384 -5.400 -0.510 561 HA CYS 91 HA CYS 91 6.818 -3.108 -1.468 562 1HB CYS 91 2HB CYS 91 7.642 -5.825 -2.514 563 2HB CYS 91 1HB CYS 91 6.538 -4.797 -3.427 564 H ASN 92 H ASN 92 4.572 -3.460 -2.320 565 HA ASN 92 HA ASN 92 3.018 -5.727 -1.370 566 1HB ASN 92 2HB ASN 92 1.665 -4.206 0.206 567 2HB ASN 92 1HB ASN 92 3.270 -4.684 0.759 568 1HD2 ASN 92 1HD2 ASN 92 4.175 -2.890 1.787 569 2HD2 ASN 92 2HD2 ASN 92 4.136 -1.307 1.182 570 H LEU 93 H LEU 93 1.550 -5.916 -3.000 571 HA LEU 93 HA LEU 93 0.802 -3.611 -4.651 572 1HB LEU 93 2HB LEU 93 1.178 -5.700 -5.740 573 2HB LEU 93 1HB LEU 93 0.183 -6.569 -4.571 574 HG LEU 93 HG LEU 93 -1.781 -5.178 -5.389 575 1HD1 LEU 93 1HD1 LEU 93 0.407 -4.244 -7.184 576 2HD1 LEU 93 2HD1 LEU 93 -0.998 -3.368 -6.572 577 3HD1 LEU 93 3HD1 LEU 93 -1.177 -4.497 -7.916 578 1HD2 LEU 93 1HD2 LEU 93 -1.657 -6.482 -7.733 579 2HD2 LEU 93 2HD2 LEU 93 -1.927 -7.327 -6.209 580 3HD2 LEU 93 3HD2 LEU 93 -0.312 -7.277 -6.916 581 H GLY 94 H GLY 94 -1.164 -2.506 -4.504 582 1HA GLY 94 2HA GLY 94 -3.276 -3.668 -2.759 583 2HA GLY 94 1HA GLY 94 -2.692 -2.043 -2.405 584 H ALA 95 H ALA 95 -5.392 -2.801 -3.177 585 HA ALA 95 HA ALA 95 -5.643 -1.069 -5.603 586 1HB ALA 95 1HB ALA 95 -5.881 -3.161 -6.598 587 2HB ALA 95 2HB ALA 95 -7.552 -2.841 -6.135 588 3HB ALA 95 3HB ALA 95 -6.545 -3.889 -5.135 589 H GLY 96 H GLY 96 -8.212 -0.673 -5.864 590 1HA GLY 96 2HA GLY 96 -10.203 -0.793 -4.096 591 2HA GLY 96 1HA GLY 96 -9.114 0.266 -3.198 592 H ASN 97 H ASN 97 -11.323 1.520 -3.612 593 HA ASN 97 HA ASN 97 -10.719 3.530 -5.678 594 1HB ASN 97 2HB ASN 97 -11.955 1.800 -6.896 595 2HB ASN 97 1HB ASN 97 -13.219 1.813 -5.665 596 1HD2 ASN 97 1HD2 ASN 97 -15.014 2.865 -6.534 597 2HD2 ASN 97 2HD2 ASN 97 -14.957 4.305 -7.431 598 H SER 98 H SER 98 -11.709 5.539 -5.166 599 HA SER 98 HA SER 98 -12.525 7.125 -3.591 600 1HB SER 98 2HB SER 98 -14.948 6.358 -2.969 601 2HB SER 98 1HB SER 98 -14.560 6.632 -4.664 602 HG SER 98 HG SER 98 -15.635 4.578 -4.090 603 H GLY 99 H GLY 99 -14.315 4.620 -1.941 604 1HA GLY 99 2HA GLY 99 -12.284 4.430 0.208 605 2HA GLY 99 1HA GLY 99 -13.861 5.098 0.635 606 H LEU 100 H LEU 100 -12.797 2.314 -1.385 607 HA LEU 100 HA LEU 100 -14.829 0.651 0.070 608 1HB LEU 100 2HB LEU 100 -15.208 0.956 -2.341 609 2HB LEU 100 1HB LEU 100 -13.574 0.385 -2.682 610 HG LEU 100 HG LEU 100 -15.377 -1.372 -1.057 611 1HD1 LEU 100 1HD1 LEU 100 -16.942 -1.209 -2.726 612 2HD1 LEU 100 2HD1 LEU 100 -15.858 -2.346 -3.528 613 3HD1 LEU 100 3HD1 LEU 100 -15.772 -0.626 -3.909 614 1HD2 LEU 100 1HD2 LEU 100 -12.841 -1.528 -2.390 615 2HD2 LEU 100 2HD2 LEU 100 -13.935 -2.702 -3.122 616 3HD2 LEU 100 3HD2 LEU 100 -13.626 -2.746 -1.386 617 H ASP 101 H ASP 101 -11.448 0.974 -0.749 618 HA ASP 101 HA ASP 101 -9.572 -0.377 -0.227 619 1HB ASP 101 2HB ASP 101 -11.478 -0.260 2.018 620 2HB ASP 101 1HB ASP 101 -10.316 -1.582 2.128 621 H LEU 102 H LEU 102 -9.493 -2.024 -1.790 622 HA LEU 102 HA LEU 102 -11.308 -4.322 -1.671 623 1HB LEU 102 2HB LEU 102 -9.782 -2.996 -3.577 624 2HB LEU 102 1HB LEU 102 -8.917 -4.516 -3.345 625 HG LEU 102 HG LEU 102 -11.908 -4.455 -3.727 626 1HD1 LEU 102 1HD1 LEU 102 -10.829 -3.315 -5.653 627 2HD1 LEU 102 2HD1 LEU 102 -11.529 -4.866 -6.116 628 3HD1 LEU 102 3HD1 LEU 102 -9.787 -4.719 -5.882 629 1HD2 LEU 102 1HD2 LEU 102 -9.797 -6.561 -4.293 630 2HD2 LEU 102 2HD2 LEU 102 -11.545 -6.775 -4.398 631 3HD2 LEU 102 3HD2 LEU 102 -10.781 -6.502 -2.831 632 H GLY 103 H GLY 103 -7.743 -4.284 -1.859 633 1HA GLY 103 2HA GLY 103 -7.397 -5.776 0.604 634 2HA GLY 103 1HA GLY 103 -7.253 -6.812 -0.818 635 H HIS 104 H HIS 104 -5.036 -6.504 0.782 636 HA HIS 104 HA HIS 104 -3.237 -4.870 -0.968 637 1HB HIS 104 2HB HIS 104 -3.529 -4.933 2.041 638 2HB HIS 104 1HB HIS 104 -2.042 -4.370 1.280 639 HD1 HIS 104 HD1 HIS 104 -3.849 -2.406 2.889 640 HD2 HIS 104 HD2 HIS 104 -4.080 -2.945 -1.233 641 HE1 HIS 104 HE1 HIS 104 -4.898 -0.299 1.945 642 H VAL 105 H VAL 105 -2.287 -6.701 -1.993 643 HA VAL 105 HA VAL 105 -1.407 -9.019 -0.403 644 HB VAL 105 HB VAL 105 -1.151 -8.165 -3.303 645 1HG1 VAL 105 1HG1 VAL 105 0.661 -9.795 -2.239 646 2HG1 VAL 105 2HG1 VAL 105 -0.036 -10.140 -3.820 647 3HG1 VAL 105 3HG1 VAL 105 -0.637 -10.977 -2.389 648 1HG2 VAL 105 1HG2 VAL 105 -2.945 -10.039 -1.759 649 2HG2 VAL 105 2HG2 VAL 105 -2.723 -10.216 -3.499 650 3HG2 VAL 105 3HG2 VAL 105 -3.405 -8.727 -2.844 651 H ALA 106 H ALA 106 0.823 -9.614 -0.114 652 HA ALA 106 HA ALA 106 2.713 -7.300 -0.223 653 1HB ALA 106 1HB ALA 106 3.650 -8.204 1.702 654 2HB ALA 106 2HB ALA 106 3.252 -9.858 1.236 655 3HB ALA 106 3HB ALA 106 1.997 -8.793 1.868 656 H LEU 107 H LEU 107 4.608 -7.478 -1.423 657 HA LEU 107 HA LEU 107 5.018 -10.063 -2.897 658 1HB LEU 107 2HB LEU 107 5.777 -7.256 -3.751 659 2HB LEU 107 1HB LEU 107 5.718 -8.703 -4.759 660 HG LEU 107 HG LEU 107 3.365 -7.303 -3.462 661 1HD1 LEU 107 1HD1 LEU 107 4.615 -6.637 -5.763 662 2HD1 LEU 107 2HD1 LEU 107 2.874 -6.468 -5.540 663 3HD1 LEU 107 3HD1 LEU 107 3.524 -7.880 -6.374 664 1HD2 LEU 107 1HD2 LEU 107 2.504 -9.283 -5.281 665 2HD2 LEU 107 2HD2 LEU 107 2.324 -9.306 -3.526 666 3HD2 LEU 107 3HD2 LEU 107 3.730 -10.059 -4.279 667 H THR 108 H THR 108 7.351 -10.435 -3.512 668 HA THR 108 HA THR 108 9.412 -8.972 -2.029 669 HB THR 108 HB THR 108 8.523 -11.762 -1.307 670 HG1 THR 108 HG1 THR 108 7.410 -10.403 -0.081 671 1HG2 THR 108 1HG2 THR 108 10.581 -12.232 -0.544 672 2HG2 THR 108 2HG2 THR 108 10.651 -10.703 0.331 673 3HG2 THR 108 3HG2 THR 108 11.155 -10.777 -1.358 674 H PHE 109 H PHE 109 10.864 -8.831 -3.710 675 HA PHE 109 HA PHE 109 11.145 -11.036 -5.648 676 1HB PHE 109 2HB PHE 109 12.392 -8.291 -5.294 677 2HB PHE 109 1HB PHE 109 12.797 -9.365 -6.632 678 HD1 PHE 109 HD1 PHE 109 9.636 -8.195 -4.920 679 HD2 PHE 109 HD2 PHE 109 11.702 -8.900 -8.623 680 HE1 PHE 109 HE1 PHE 109 7.662 -7.392 -6.170 681 HE2 PHE 109 HE2 PHE 109 9.716 -8.091 -9.874 682 HZ PHE 109 HZ PHE 109 7.696 -7.336 -8.646 683 H GLY 110 H GLY 110 13.249 -12.074 -6.020 684 1HA GLY 110 2HA GLY 110 15.629 -11.729 -4.644 685 2HA GLY 110 1HA GLY 110 14.644 -12.693 -3.545 686 2H2' ROM 111 2H2' ROM 111 -10.275 5.176 -7.758 687 2H3' ROM 111 2H3' ROM 111 -8.379 5.931 -8.457 688 H'1 ROM 111 H'1 ROM 111 -4.751 6.117 -8.459 689 3H18 ROM 111 3H18 ROM 111 -3.467 1.374 0.602 690 2H18 ROM 111 2H18 ROM 111 -4.819 2.173 1.245 691 2H23 ROM 111 2H23 ROM 111 -5.527 7.678 -1.205 692 H1' ROM 111 H1' ROM 111 -8.392 7.566 -6.411 693 H2' ROM 111 H2' ROM 111 -11.291 7.368 -7.178 694 H3' ROM 111 H3' ROM 111 -10.350 6.778 -9.366 695 H4' ROM 111 H4' ROM 111 -10.850 9.121 -8.906 696 1H6B ROM 111 1H6B ROM 111 -10.354 11.261 -8.314 697 3H6B ROM 111 3H6B ROM 111 -9.109 11.646 -7.124 698 2H6B ROM 111 2H6B ROM 111 -8.679 11.465 -8.826 699 1H6A ROM 111 1H6A ROM 111 -7.055 9.956 -7.157 700 3H6A ROM 111 3H6A ROM 111 -7.354 8.320 -7.735 701 2H6A ROM 111 2H6A ROM 111 -7.208 9.643 -8.884 702 1H4B ROM 111 1H4B ROM 111 -10.532 8.287 -11.703 703 3H4B ROM 111 3H4B ROM 111 -11.340 9.496 -10.689 704 2H4B ROM 111 2H4B ROM 111 -10.230 10.014 -11.970 705 1H4A ROM 111 1H4A ROM 111 -8.713 7.339 -10.968 706 3H4A ROM 111 3H4A ROM 111 -7.871 8.721 -11.690 707 2H4A ROM 111 2H4A ROM 111 -7.507 8.232 -10.028 708 H'8 ROM 111 H'8 ROM 111 -0.338 6.625 -7.135 709 H'6 ROM 111 H'6 ROM 111 -0.384 7.370 -11.341 710 1H3A ROM 111 1H3A ROM 111 -5.290 7.269 -13.326 711 2H3A ROM 111 2H3A ROM 111 -5.008 5.440 -13.388 712 1H7A ROM 111 1H7A ROM 111 2.878 6.883 -8.288 713 3H7A ROM 111 3H7A ROM 111 1.412 6.318 -7.499 714 2H7A ROM 111 2H7A ROM 111 1.940 5.574 -9.005 715 H3 ROM 111 H3 ROM 111 -4.999 6.674 -5.782 716 H6 ROM 111 H6 ROM 111 -7.774 3.292 -3.486 717 H5 ROM 111 H5 ROM 111 -5.669 2.583 -4.597 718 H12 ROM 111 H12 ROM 111 -5.825 8.989 -4.634 719 H8 ROM 111 H8 ROM 111 -9.653 5.455 -3.694 720 H13 ROM 111 H13 ROM 111 -3.908 3.135 -6.185 721 H10 ROM 111 H10 ROM 111 -9.362 8.790 -2.311 722 H11 ROM 111 H11 ROM 111 -7.235 10.215 -2.867 723 2H14 ROM 111 2H14 ROM 111 -1.735 4.217 -5.366 724 1H14 ROM 111 1H14 ROM 111 -2.747 5.246 -4.348 725 2H17 ROM 111 2H17 ROM 111 -4.024 1.843 -2.205 726 1H17 ROM 111 1H17 ROM 111 -2.461 1.949 -1.400 727 H18 ROM 111 H18 ROM 111 -3.336 3.706 0.087 728 H20 ROM 111 H20 ROM 111 -6.564 2.187 -0.624 729 H24 ROM 111 H24 ROM 111 -4.225 5.730 -1.045 730 4H18 ROM 111 4H18 ROM 111 -4.973 1.251 -0.173 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -17.797 -9.724 4.283 2 2H ALA 1 2H ALA 1 -18.479 -9.594 2.732 3 3H ALA 1 3H ALA 1 -18.660 -8.328 3.849 4 HA ALA 1 HA ALA 1 -16.926 -7.418 2.737 5 1HB ALA 1 1HB ALA 1 -15.313 -9.509 4.181 6 2HB ALA 1 2HB ALA 1 -16.316 -8.388 5.101 7 3HB ALA 1 3HB ALA 1 -15.024 -7.772 4.070 8 HA PRO 2 HA PRO 2 -15.903 -9.875 -0.787 9 1HB PRO 2 2HB PRO 2 -14.230 -8.088 -2.006 10 2HB PRO 2 1HB PRO 2 -15.997 -7.919 -2.007 11 1HG PRO 2 2HG PRO 2 -13.964 -6.522 -0.345 12 2HG PRO 2 1HG PRO 2 -15.477 -5.911 -1.034 13 1HD PRO 2 2HD PRO 2 -15.172 -6.639 1.597 14 2HD PRO 2 1HD PRO 2 -16.727 -6.639 0.735 15 H ALA 3 H ALA 3 -13.347 -9.731 -2.049 16 HA ALA 3 HA ALA 3 -11.243 -10.126 -0.051 17 1HB ALA 3 1HB ALA 3 -11.211 -12.445 -0.021 18 2HB ALA 3 2HB ALA 3 -11.932 -12.574 -1.626 19 3HB ALA 3 3HB ALA 3 -12.941 -12.175 -0.236 20 H PHE 4 H PHE 4 -9.175 -10.381 -1.043 21 HA PHE 4 HA PHE 4 -9.054 -10.378 -4.030 22 1HB PHE 4 2HB PHE 4 -9.144 -8.047 -3.317 23 2HB PHE 4 1HB PHE 4 -7.902 -8.335 -2.099 24 HD1 PHE 4 HD1 PHE 4 -5.554 -8.755 -2.761 25 HD2 PHE 4 HD2 PHE 4 -8.578 -7.795 -5.655 26 HE1 PHE 4 HE1 PHE 4 -3.792 -8.236 -4.427 27 HE2 PHE 4 HE2 PHE 4 -6.816 -7.277 -7.325 28 HZ PHE 4 HZ PHE 4 -4.422 -7.496 -6.710 29 H SER 5 H SER 5 -7.480 -11.875 -4.615 30 HA SER 5 HA SER 5 -5.066 -12.129 -2.881 31 1HB SER 5 2HB SER 5 -6.961 -14.375 -3.614 32 2HB SER 5 1HB SER 5 -5.418 -14.595 -2.796 33 HG SER 5 HG SER 5 -7.131 -14.462 -1.304 34 H VAL 6 H VAL 6 -3.387 -13.473 -3.919 35 HA VAL 6 HA VAL 6 -3.607 -13.560 -6.912 36 HB VAL 6 HB VAL 6 -2.271 -11.655 -5.919 37 1HG1 VAL 6 1HG1 VAL 6 -1.512 -12.869 -3.921 38 2HG1 VAL 6 2HG1 VAL 6 -0.138 -12.240 -4.828 39 3HG1 VAL 6 3HG1 VAL 6 -0.561 -13.949 -4.934 40 1HG2 VAL 6 1HG2 VAL 6 -0.184 -13.359 -7.143 41 2HG2 VAL 6 2HG2 VAL 6 -0.784 -11.780 -7.649 42 3HG2 VAL 6 3HG2 VAL 6 -1.678 -13.239 -8.073 43 H SER 7 H SER 7 -2.089 -15.231 -7.853 44 HA SER 7 HA SER 7 -2.133 -17.684 -6.318 45 1HB SER 7 2HB SER 7 -1.166 -16.740 -8.978 46 2HB SER 7 1HB SER 7 -0.525 -18.268 -8.381 47 HG SER 7 HG SER 7 -2.356 -19.090 -8.980 48 HA PRO 8 HA PRO 8 2.537 -17.350 -5.717 49 1HB PRO 8 2HB PRO 8 4.045 -15.588 -7.148 50 2HB PRO 8 1HB PRO 8 3.623 -17.200 -7.764 51 1HG PRO 8 2HG PRO 8 2.430 -14.557 -8.413 52 2HG PRO 8 1HG PRO 8 2.747 -15.939 -9.469 53 1HD PRO 8 2HD PRO 8 0.270 -15.330 -8.468 54 2HD PRO 8 1HD PRO 8 0.783 -16.968 -8.928 55 H ALA 9 H ALA 9 4.157 -15.673 -4.694 56 HA ALA 9 HA ALA 9 3.457 -12.936 -4.255 57 1HB ALA 9 1HB ALA 9 2.380 -13.188 -2.011 58 2HB ALA 9 2HB ALA 9 2.373 -14.936 -2.242 59 3HB ALA 9 3HB ALA 9 1.414 -13.901 -3.299 60 H SER 10 H SER 10 5.763 -14.796 -4.462 61 HA SER 10 HA SER 10 7.472 -13.651 -2.405 62 1HB SER 10 2HB SER 10 6.633 -16.556 -2.314 63 2HB SER 10 1HB SER 10 8.016 -15.924 -1.427 64 HG SER 10 HG SER 10 5.471 -15.898 -0.728 65 H GLY 11 H GLY 11 9.767 -14.445 -2.742 66 1HA GLY 11 2HA GLY 11 11.513 -14.722 -4.319 67 2HA GLY 11 1HA GLY 11 10.693 -16.256 -4.620 68 H LEU 12 H LEU 12 9.552 -12.958 -5.261 69 HA LEU 12 HA LEU 12 8.744 -13.729 -7.969 70 1HB LEU 12 2HB LEU 12 8.678 -11.113 -6.437 71 2HB LEU 12 1HB LEU 12 7.830 -11.426 -7.954 72 HG LEU 12 HG LEU 12 7.396 -12.874 -5.325 73 1HD1 LEU 12 1HD1 LEU 12 6.192 -10.547 -6.602 74 2HD1 LEU 12 2HD1 LEU 12 5.981 -11.162 -4.963 75 3HD1 LEU 12 3HD1 LEU 12 5.005 -11.811 -6.280 76 1HD2 LEU 12 1HD2 LEU 12 7.119 -14.448 -7.137 77 2HD2 LEU 12 2HD2 LEU 12 6.207 -13.274 -8.085 78 3HD2 LEU 12 3HD2 LEU 12 5.509 -13.954 -6.615 79 H SER 13 H SER 13 9.230 -11.494 -9.478 80 HA SER 13 HA SER 13 12.085 -10.756 -9.315 81 1HB SER 13 2HB SER 13 10.896 -12.488 -11.495 82 2HB SER 13 1HB SER 13 12.484 -11.737 -11.599 83 HG SER 13 HG SER 13 11.548 -13.746 -9.851 84 H ASP 14 H ASP 14 12.594 -9.011 -10.812 85 HA ASP 14 HA ASP 14 10.440 -7.186 -11.324 86 1HB ASP 14 2HB ASP 14 12.226 -5.887 -12.420 87 2HB ASP 14 1HB ASP 14 12.822 -6.596 -10.917 88 H GLY 15 H GLY 15 9.025 -7.216 -13.002 89 1HA GLY 15 2HA GLY 15 8.486 -7.278 -15.364 90 2HA GLY 15 1HA GLY 15 9.881 -8.328 -15.612 91 H GLN 16 H GLN 16 9.121 -9.909 -13.191 92 HA GLN 16 HA GLN 16 7.724 -12.048 -14.424 93 1HB GLN 16 2HB GLN 16 9.153 -11.899 -12.280 94 2HB GLN 16 1HB GLN 16 7.668 -11.385 -11.477 95 1HG GLN 16 2HG GLN 16 6.722 -13.555 -12.769 96 2HG GLN 16 1HG GLN 16 8.402 -14.055 -12.572 97 1HE2 GLN 16 1HE2 GLN 16 5.904 -15.041 -11.139 98 2HE2 GLN 16 2HE2 GLN 16 6.255 -14.836 -9.496 99 H SER 17 H SER 17 5.526 -12.586 -14.528 100 HA SER 17 HA SER 17 3.610 -10.498 -13.547 101 1HB SER 17 2HB SER 17 2.327 -10.985 -15.490 102 2HB SER 17 1HB SER 17 3.996 -10.966 -16.051 103 HG SER 17 HG SER 17 2.872 -12.816 -16.785 104 H VAL 18 H VAL 18 2.069 -11.179 -12.120 105 HA VAL 18 HA VAL 18 1.897 -14.097 -11.512 106 HB VAL 18 HB VAL 18 1.050 -13.212 -9.317 107 1HG1 VAL 18 1HG1 VAL 18 3.643 -11.851 -10.069 108 2HG1 VAL 18 2HG1 VAL 18 3.529 -13.605 -9.924 109 3HG1 VAL 18 3HG1 VAL 18 3.200 -12.583 -8.525 110 1HG2 VAL 18 1HG2 VAL 18 0.683 -10.971 -8.962 111 2HG2 VAL 18 2HG2 VAL 18 0.438 -10.963 -10.706 112 3HG2 VAL 18 3HG2 VAL 18 1.994 -10.482 -10.033 113 H SER 19 H SER 19 -0.406 -14.623 -10.561 114 HA SER 19 HA SER 19 -2.447 -13.488 -12.441 115 1HB SER 19 2HB SER 19 -1.722 -16.158 -11.436 116 2HB SER 19 1HB SER 19 -3.454 -15.839 -11.416 117 HG SER 19 HG SER 19 -2.530 -16.705 -13.430 118 H VAL 20 H VAL 20 -3.626 -11.959 -11.325 119 HA VAL 20 HA VAL 20 -4.205 -12.403 -8.439 120 HB VAL 20 HB VAL 20 -4.466 -10.043 -10.326 121 1HG1 VAL 20 1HG1 VAL 20 -5.169 -10.391 -7.407 122 2HG1 VAL 20 2HG1 VAL 20 -6.178 -9.751 -8.703 123 3HG1 VAL 20 3HG1 VAL 20 -4.818 -8.808 -8.097 124 1HG2 VAL 20 1HG2 VAL 20 -2.642 -9.132 -8.877 125 2HG2 VAL 20 2HG2 VAL 20 -2.157 -10.590 -9.744 126 3HG2 VAL 20 3HG2 VAL 20 -2.579 -10.679 -8.034 127 H SER 21 H SER 21 -6.481 -11.671 -7.776 128 HA SER 21 HA SER 21 -8.604 -11.921 -9.791 129 1HB SER 21 2HB SER 21 -9.272 -14.073 -9.296 130 2HB SER 21 1HB SER 21 -7.549 -14.243 -8.969 131 HG SER 21 HG SER 21 -9.399 -14.777 -7.312 132 H VAL 22 H VAL 22 -10.275 -10.648 -9.079 133 HA VAL 22 HA VAL 22 -10.429 -10.011 -6.166 134 HB VAL 22 HB VAL 22 -11.516 -8.488 -8.545 135 1HG1 VAL 22 1HG1 VAL 22 -11.804 -8.174 -5.760 136 2HG1 VAL 22 2HG1 VAL 22 -12.230 -7.002 -7.007 137 3HG1 VAL 22 3HG1 VAL 22 -10.638 -6.945 -6.249 138 1HG2 VAL 22 1HG2 VAL 22 -8.789 -8.960 -7.883 139 2HG2 VAL 22 2HG2 VAL 22 -9.147 -7.305 -7.399 140 3HG2 VAL 22 3HG2 VAL 22 -9.425 -7.816 -9.065 141 H SER 23 H SER 23 -12.370 -10.505 -5.116 142 HA SER 23 HA SER 23 -14.802 -11.025 -6.755 143 1HB SER 23 2HB SER 23 -14.991 -13.264 -6.040 144 2HB SER 23 1HB SER 23 -13.266 -13.097 -6.359 145 HG SER 23 HG SER 23 -14.638 -13.390 -3.967 146 H GLY 24 H GLY 24 -16.571 -10.199 -5.695 147 1HA GLY 24 2HA GLY 24 -17.788 -10.257 -3.444 148 2HA GLY 24 1HA GLY 24 -16.286 -9.616 -2.777 149 H ALA 25 H ALA 25 -15.794 -7.908 -5.130 150 HA ALA 25 HA ALA 25 -17.035 -5.499 -4.259 151 1HB ALA 25 1HB ALA 25 -15.315 -6.500 -6.416 152 2HB ALA 25 2HB ALA 25 -15.235 -4.967 -5.546 153 3HB ALA 25 3HB ALA 25 -16.320 -5.143 -6.923 154 H ALA 26 H ALA 26 -18.010 -4.398 -6.766 155 HA ALA 26 HA ALA 26 -20.222 -6.089 -7.691 156 1HB ALA 26 1HB ALA 26 -20.464 -4.014 -5.581 157 2HB ALA 26 2HB ALA 26 -21.394 -5.495 -5.812 158 3HB ALA 26 3HB ALA 26 -21.747 -4.070 -6.788 159 H ALA 27 H ALA 27 -20.764 -5.486 -9.719 160 HA ALA 27 HA ALA 27 -19.472 -3.721 -11.357 161 1HB ALA 27 1HB ALA 27 -21.043 -4.602 -12.708 162 2HB ALA 27 2HB ALA 27 -22.265 -3.579 -11.954 163 3HB ALA 27 3HB ALA 27 -21.919 -5.171 -11.290 164 H GLY 28 H GLY 28 -19.425 -1.515 -11.658 165 1HA GLY 28 2HA GLY 28 -20.758 0.618 -11.617 166 2HA GLY 28 1HA GLY 28 -21.302 0.118 -10.021 167 H GLU 29 H GLU 29 -18.125 -0.832 -10.285 168 HA GLU 29 HA GLU 29 -17.064 1.817 -9.404 169 1HB GLU 29 2HB GLU 29 -17.099 -0.780 -7.857 170 2HB GLU 29 1HB GLU 29 -16.039 0.563 -7.439 171 1HG GLU 29 2HG GLU 29 -18.451 1.841 -7.695 172 2HG GLU 29 1HG GLU 29 -18.952 0.276 -7.053 173 H THR 30 H THR 30 -14.912 2.103 -9.905 174 HA THR 30 HA THR 30 -13.525 -0.154 -11.306 175 HB THR 30 HB THR 30 -13.189 2.848 -11.615 176 HG1 THR 30 HG1 THR 30 -15.235 2.182 -12.301 177 1HG2 THR 30 1HG2 THR 30 -11.262 2.056 -12.558 178 2HG2 THR 30 2HG2 THR 30 -12.330 1.745 -13.926 179 3HG2 THR 30 3HG2 THR 30 -11.926 0.442 -12.808 180 H TYR 31 H TYR 31 -11.792 -0.924 -10.159 181 HA TYR 31 HA TYR 31 -10.583 0.809 -8.052 182 1HB TYR 31 2HB TYR 31 -10.254 -2.158 -8.571 183 2HB TYR 31 1HB TYR 31 -9.889 -1.288 -7.079 184 HD1 TYR 31 HD1 TYR 31 -12.168 -3.485 -8.376 185 HD2 TYR 31 HD2 TYR 31 -12.068 0.348 -6.451 186 HE1 TYR 31 HE1 TYR 31 -14.505 -3.808 -7.609 187 HE2 TYR 31 HE2 TYR 31 -14.403 0.031 -5.684 188 HH TYR 31 HH TYR 31 -16.344 -1.233 -6.187 189 H TYR 32 H TYR 32 -8.327 1.175 -8.024 190 HA TYR 32 HA TYR 32 -6.922 0.591 -10.602 191 1HB TYR 32 2HB TYR 32 -6.393 2.638 -8.413 192 2HB TYR 32 1HB TYR 32 -5.553 2.545 -9.959 193 HD1 TYR 32 HD1 TYR 32 -9.023 2.806 -8.555 194 HD2 TYR 32 HD2 TYR 32 -6.345 3.792 -11.765 195 HE1 TYR 32 HE1 TYR 32 -10.792 4.186 -9.603 196 HE2 TYR 32 HE2 TYR 32 -8.117 5.174 -12.814 197 HH TYR 32 HH TYR 32 -10.776 5.138 -12.706 198 H ILE 33 H ILE 33 -5.941 -1.428 -10.159 199 HA ILE 33 HA ILE 33 -4.636 -1.908 -7.569 200 HB ILE 33 HB ILE 33 -5.907 -3.577 -8.989 201 1HG1 ILE 33 2HG1 ILE 33 -4.251 -4.189 -7.184 202 2HG1 ILE 33 1HG1 ILE 33 -4.454 -5.416 -8.429 203 1HG2 ILE 33 1HG2 ILE 33 -4.457 -4.655 -10.807 204 2HG2 ILE 33 2HG2 ILE 33 -3.480 -3.193 -10.745 205 3HG2 ILE 33 3HG2 ILE 33 -5.177 -3.096 -11.194 206 1HD1 ILE 33 1HD1 ILE 33 -2.145 -5.330 -8.309 207 2HD1 ILE 33 2HD1 ILE 33 -2.124 -3.622 -7.899 208 3HD1 ILE 33 3HD1 ILE 33 -2.428 -4.123 -9.557 209 H ALA 34 H ALA 34 -2.470 -1.645 -7.152 210 HA ALA 34 HA ALA 34 -0.515 -1.436 -9.363 211 1HB ALA 34 1HB ALA 34 -1.530 0.818 -9.136 212 2HB ALA 34 2HB ALA 34 0.163 0.839 -8.641 213 3HB ALA 34 3HB ALA 34 -1.115 0.824 -7.422 214 H GLN 35 H GLN 35 1.744 -1.246 -8.447 215 HA GLN 35 HA GLN 35 1.937 -2.765 -5.895 216 1HB GLN 35 2HB GLN 35 3.076 -3.448 -8.058 217 2HB GLN 35 1HB GLN 35 4.074 -2.003 -7.906 218 1HG GLN 35 2HG GLN 35 4.743 -2.818 -5.608 219 2HG GLN 35 1HG GLN 35 3.937 -4.338 -5.993 220 1HE2 GLN 35 1HE2 GLN 35 6.013 -5.501 -5.967 221 2HE2 GLN 35 2HE2 GLN 35 7.127 -5.322 -7.235 222 H CYS 36 H CYS 36 2.559 -1.705 -4.033 223 HA CYS 36 HA CYS 36 3.975 0.923 -4.343 224 1HB CYS 36 2HB CYS 36 1.690 0.209 -2.480 225 2HB CYS 36 1HB CYS 36 2.512 1.767 -2.534 226 H ALA 37 H ALA 37 4.732 1.603 -1.995 227 HA ALA 37 HA ALA 37 5.574 -0.699 -0.324 228 1HB ALA 37 1HB ALA 37 7.321 -0.641 -1.950 229 2HB ALA 37 2HB ALA 37 7.970 0.216 -0.553 230 3HB ALA 37 3HB ALA 37 7.368 1.120 -1.941 231 HA PRO 38 HA PRO 38 5.120 2.344 2.808 232 1HB PRO 38 2HB PRO 38 6.867 1.425 4.698 233 2HB PRO 38 1HB PRO 38 5.304 0.659 4.360 234 1HG PRO 38 2HG PRO 38 8.030 -0.137 3.461 235 2HG PRO 38 1HG PRO 38 6.672 -1.152 3.972 236 1HD PRO 38 2HD PRO 38 7.351 -0.760 1.358 237 2HD PRO 38 1HD PRO 38 5.698 -1.121 1.897 238 H VAL 39 H VAL 39 6.291 4.113 3.878 239 HA VAL 39 HA VAL 39 9.138 4.505 3.202 240 HB VAL 39 HB VAL 39 7.767 5.081 1.161 241 1HG1 VAL 39 1HG1 VAL 39 6.087 6.632 1.225 242 2HG1 VAL 39 2HG1 VAL 39 6.902 7.614 2.441 243 3HG1 VAL 39 3HG1 VAL 39 6.013 6.170 2.925 244 1HG2 VAL 39 1HG2 VAL 39 8.924 7.198 0.752 245 2HG2 VAL 39 2HG2 VAL 39 9.991 6.105 1.634 246 3HG2 VAL 39 3HG2 VAL 39 9.179 7.420 2.483 247 H GLY 40 H GLY 40 8.702 4.439 5.704 248 1HA GLY 40 2HA GLY 40 8.894 5.703 7.689 249 2HA GLY 40 1HA GLY 40 8.884 7.161 6.693 250 H GLY 41 H GLY 41 6.325 4.783 6.450 251 1HA GLY 41 2HA GLY 41 4.232 4.899 7.772 252 2HA GLY 41 1HA GLY 41 4.518 6.632 7.950 253 H GLN 42 H GLN 42 5.253 7.209 5.271 254 HA GLN 42 HA GLN 42 2.629 7.439 4.056 255 1HB GLN 42 2HB GLN 42 5.446 8.240 3.542 256 2HB GLN 42 1HB GLN 42 4.398 8.152 2.125 257 1HG GLN 42 2HG GLN 42 2.982 9.827 2.894 258 2HG GLN 42 1HG GLN 42 3.396 9.540 4.585 259 1HE2 GLN 42 1HE2 GLN 42 3.735 12.012 4.520 260 2HE2 GLN 42 2HE2 GLN 42 5.259 12.575 4.029 261 H ASP 43 H ASP 43 2.727 6.852 1.479 262 HA ASP 43 HA ASP 43 3.806 4.084 1.181 263 1HB ASP 43 2HB ASP 43 0.984 5.058 1.209 264 2HB ASP 43 1HB ASP 43 1.389 3.805 0.033 265 H ALA 44 H ALA 44 5.191 4.442 -0.548 266 HA ALA 44 HA ALA 44 4.510 6.325 -2.698 267 1HB ALA 44 1HB ALA 44 6.692 4.368 -3.078 268 2HB ALA 44 2HB ALA 44 6.806 5.280 -1.573 269 3HB ALA 44 3HB ALA 44 6.751 6.130 -3.116 270 H CYS 45 H CYS 45 4.246 5.550 -4.982 271 HA CYS 45 HA CYS 45 3.463 2.667 -5.168 272 1HB CYS 45 2HB CYS 45 1.867 5.150 -5.720 273 2HB CYS 45 1HB CYS 45 1.506 3.667 -6.600 274 H ASN 46 H ASN 46 3.102 2.058 -7.544 275 HA ASN 46 HA ASN 46 5.160 3.424 -9.242 276 1HB ASN 46 2HB ASN 46 5.444 1.212 -10.241 277 2HB ASN 46 1HB ASN 46 5.540 1.071 -8.488 278 1HD2 ASN 46 1HD2 ASN 46 4.833 -1.169 -10.094 279 2HD2 ASN 46 2HD2 ASN 46 3.213 -1.567 -9.794 280 HA PRO 47 HA PRO 47 1.654 4.346 -11.827 281 1HB PRO 47 2HB PRO 47 2.986 5.917 -13.608 282 2HB PRO 47 1HB PRO 47 2.514 6.475 -11.992 283 1HG PRO 47 2HG PRO 47 5.171 5.704 -13.011 284 2HG PRO 47 1HG PRO 47 4.740 6.816 -11.705 285 1HD PRO 47 2HD PRO 47 5.664 4.161 -11.423 286 2HD PRO 47 1HD PRO 47 4.990 5.194 -10.144 287 H ALA 48 H ALA 48 4.679 4.024 -13.695 288 HA ALA 48 HA ALA 48 3.918 3.057 -16.109 289 1HB ALA 48 1HB ALA 48 6.053 2.081 -14.220 290 2HB ALA 48 2HB ALA 48 6.224 3.197 -15.575 291 3HB ALA 48 3HB ALA 48 5.946 1.481 -15.873 292 H THR 49 H THR 49 4.424 0.773 -13.412 293 HA THR 49 HA THR 49 2.822 -1.270 -14.826 294 HB THR 49 HB THR 49 3.582 -2.541 -12.702 295 HG1 THR 49 HG1 THR 49 5.503 -1.434 -11.855 296 1HG2 THR 49 1HG2 THR 49 5.280 -3.282 -13.994 297 2HG2 THR 49 2HG2 THR 49 6.049 -1.694 -14.024 298 3HG2 THR 49 3HG2 THR 49 4.756 -2.070 -15.163 299 H ALA 50 H ALA 50 0.630 -0.915 -14.601 300 HA ALA 50 HA ALA 50 -0.679 -1.300 -12.076 301 1HB ALA 50 1HB ALA 50 -0.686 0.800 -11.237 302 2HB ALA 50 2HB ALA 50 -1.363 1.425 -12.741 303 3HB ALA 50 3HB ALA 50 0.385 1.285 -12.551 304 H THR 51 H THR 51 -2.884 -1.738 -12.487 305 HA THR 51 HA THR 51 -3.910 -0.970 -15.201 306 HB THR 51 HB THR 51 -4.810 -3.209 -15.420 307 HG1 THR 51 HG1 THR 51 -4.424 -4.710 -13.702 308 1HG2 THR 51 1HG2 THR 51 -1.951 -2.836 -14.770 309 2HG2 THR 51 2HG2 THR 51 -2.696 -3.529 -16.205 310 3HG2 THR 51 3HG2 THR 51 -2.516 -4.503 -14.747 311 H SER 52 H SER 52 -5.956 -0.116 -15.186 312 HA SER 52 HA SER 52 -7.451 -0.075 -12.589 313 1HB SER 52 2HB SER 52 -7.650 1.625 -15.099 314 2HB SER 52 1HB SER 52 -8.535 1.909 -13.603 315 HG SER 52 HG SER 52 -5.785 2.171 -14.161 316 H PHE 53 H PHE 53 -9.235 -1.411 -12.503 317 HA PHE 53 HA PHE 53 -10.676 -1.978 -15.071 318 1HB PHE 53 2HB PHE 53 -10.704 -4.353 -14.481 319 2HB PHE 53 1HB PHE 53 -9.041 -3.769 -14.511 320 HD1 PHE 53 HD1 PHE 53 -8.095 -2.871 -12.223 321 HD2 PHE 53 HD2 PHE 53 -11.491 -5.476 -12.584 322 HE1 PHE 53 HE1 PHE 53 -7.812 -3.569 -9.862 323 HE2 PHE 53 HE2 PHE 53 -11.208 -6.171 -10.224 324 HZ PHE 53 HZ PHE 53 -9.369 -5.219 -8.862 325 H THR 54 H THR 54 -12.903 -2.524 -14.808 326 HA THR 54 HA THR 54 -14.065 -1.726 -12.163 327 HB THR 54 HB THR 54 -15.211 -1.781 -14.976 328 HG1 THR 54 HG1 THR 54 -14.653 0.268 -15.081 329 1HG2 THR 54 1HG2 THR 54 -17.162 -1.777 -13.816 330 2HG2 THR 54 2HG2 THR 54 -16.771 -0.084 -13.515 331 3HG2 THR 54 3HG2 THR 54 -16.376 -1.309 -12.311 332 H THR 55 H THR 55 -15.624 -3.135 -11.193 333 HA THR 55 HA THR 55 -15.431 -5.953 -11.974 334 HB THR 55 HB THR 55 -17.370 -5.924 -10.113 335 HG1 THR 55 HG1 THR 55 -17.664 -3.762 -9.928 336 1HG2 THR 55 1HG2 THR 55 -14.391 -5.518 -9.826 337 2HG2 THR 55 2HG2 THR 55 -15.318 -7.010 -9.657 338 3HG2 THR 55 3HG2 THR 55 -15.422 -5.762 -8.418 339 H ASP 56 H ASP 56 -17.166 -7.272 -12.733 340 HA ASP 56 HA ASP 56 -19.024 -5.895 -14.544 341 1HB ASP 56 2HB ASP 56 -19.404 -8.118 -15.379 342 2HB ASP 56 1HB ASP 56 -17.686 -8.025 -14.987 343 H ALA 57 H ALA 57 -21.265 -7.524 -14.445 344 HA ALA 57 HA ALA 57 -22.794 -6.413 -12.302 345 1HB ALA 57 1HB ALA 57 -24.200 -8.600 -13.186 346 2HB ALA 57 2HB ALA 57 -23.100 -8.304 -14.533 347 3HB ALA 57 3HB ALA 57 -24.190 -7.029 -13.987 348 H SER 58 H SER 58 -20.924 -9.363 -12.554 349 HA SER 58 HA SER 58 -22.134 -10.559 -10.144 350 1HB SER 58 2HB SER 58 -19.979 -11.264 -12.127 351 2HB SER 58 1HB SER 58 -20.176 -12.207 -10.652 352 HG SER 58 HG SER 58 -21.611 -13.199 -11.858 353 H GLY 59 H GLY 59 -20.223 -7.981 -10.418 354 1HA GLY 59 2HA GLY 59 -18.501 -7.015 -9.138 355 2HA GLY 59 1HA GLY 59 -19.271 -7.873 -7.807 356 H ALA 60 H ALA 60 -17.472 -9.032 -10.662 357 HA ALA 60 HA ALA 60 -15.436 -10.216 -8.821 358 1HB ALA 60 1HB ALA 60 -16.736 -11.774 -11.056 359 2HB ALA 60 2HB ALA 60 -17.423 -11.747 -9.431 360 3HB ALA 60 3HB ALA 60 -15.803 -12.394 -9.693 361 H ALA 61 H ALA 61 -13.511 -11.021 -10.075 362 HA ALA 61 HA ALA 61 -13.158 -10.246 -12.859 363 1HB ALA 61 1HB ALA 61 -12.825 -8.052 -12.319 364 2HB ALA 61 2HB ALA 61 -11.228 -8.611 -11.819 365 3HB ALA 61 3HB ALA 61 -12.511 -8.423 -10.624 366 H SER 62 H SER 62 -10.796 -10.513 -13.479 367 HA SER 62 HA SER 62 -8.986 -11.920 -11.679 368 1HB SER 62 2HB SER 62 -9.166 -14.072 -12.996 369 2HB SER 62 1HB SER 62 -10.608 -13.695 -12.059 370 HG SER 62 HG SER 62 -10.839 -14.313 -14.385 371 H PHE 63 H PHE 63 -6.950 -11.431 -12.490 372 HA PHE 63 HA PHE 63 -6.420 -11.532 -15.359 373 1HB PHE 63 2HB PHE 63 -6.089 -9.120 -15.619 374 2HB PHE 63 1HB PHE 63 -7.725 -9.427 -15.031 375 HD1 PHE 63 HD1 PHE 63 -4.356 -8.259 -14.104 376 HD2 PHE 63 HD2 PHE 63 -8.396 -8.833 -12.758 377 HE1 PHE 63 HE1 PHE 63 -3.874 -6.893 -12.094 378 HE2 PHE 63 HE2 PHE 63 -7.909 -7.461 -10.743 379 HZ PHE 63 HZ PHE 63 -5.648 -6.497 -10.412 380 H SER 64 H SER 64 -4.155 -11.323 -15.799 381 HA SER 64 HA SER 64 -2.427 -11.789 -13.464 382 1HB SER 64 2HB SER 64 -0.738 -11.978 -15.423 383 2HB SER 64 1HB SER 64 -2.031 -13.172 -15.347 384 HG SER 64 HG SER 64 -1.523 -11.820 -17.394 385 H PHE 65 H PHE 65 -0.886 -10.322 -12.708 386 HA PHE 65 HA PHE 65 -0.766 -7.667 -14.072 387 1HB PHE 65 2HB PHE 65 -2.097 -7.426 -12.127 388 2HB PHE 65 1HB PHE 65 -1.039 -8.472 -11.183 389 HD1 PHE 65 HD1 PHE 65 -1.015 -5.265 -13.103 390 HD2 PHE 65 HD2 PHE 65 0.628 -7.536 -9.857 391 HE1 PHE 65 HE1 PHE 65 0.306 -3.296 -12.398 392 HE2 PHE 65 HE2 PHE 65 1.949 -5.573 -9.150 393 HZ PHE 65 HZ PHE 65 1.796 -3.448 -10.417 394 H VAL 66 H VAL 66 1.307 -6.913 -14.444 395 HA VAL 66 HA VAL 66 3.576 -8.650 -13.791 396 HB VAL 66 HB VAL 66 3.520 -5.884 -15.017 397 1HG1 VAL 66 1HG1 VAL 66 5.584 -6.603 -16.106 398 2HG1 VAL 66 2HG1 VAL 66 5.435 -8.207 -15.387 399 3HG1 VAL 66 3HG1 VAL 66 5.745 -6.806 -14.362 400 1HG2 VAL 66 1HG2 VAL 66 2.264 -8.255 -15.958 401 2HG2 VAL 66 2HG2 VAL 66 3.704 -8.013 -16.945 402 3HG2 VAL 66 3HG2 VAL 66 2.490 -6.739 -16.832 403 H VAL 67 H VAL 67 5.520 -7.749 -12.725 404 HA VAL 67 HA VAL 67 4.911 -5.625 -10.703 405 HB VAL 67 HB VAL 67 6.283 -7.156 -9.149 406 1HG1 VAL 67 1HG1 VAL 67 3.860 -8.683 -9.869 407 2HG1 VAL 67 2HG1 VAL 67 3.598 -6.956 -9.625 408 3HG1 VAL 67 3HG1 VAL 67 4.304 -7.933 -8.337 409 1HG2 VAL 67 1HG2 VAL 67 5.443 -9.503 -10.703 410 2HG2 VAL 67 2HG2 VAL 67 6.975 -9.189 -9.890 411 3HG2 VAL 67 3HG2 VAL 67 6.690 -8.551 -11.508 412 H ARG 68 H ARG 68 7.213 -5.152 -9.564 413 HA ARG 68 HA ARG 68 9.497 -5.421 -11.399 414 1HB ARG 68 2HB ARG 68 7.783 -2.994 -11.164 415 2HB ARG 68 1HB ARG 68 9.525 -2.731 -11.261 416 1HG ARG 68 2HG ARG 68 9.512 -4.296 -13.283 417 2HG ARG 68 1HG ARG 68 7.754 -4.157 -13.256 418 1HD ARG 68 2HD ARG 68 8.251 -2.398 -14.688 419 2HD ARG 68 1HD ARG 68 8.357 -1.543 -13.136 420 HE ARG 68 HE ARG 68 10.791 -2.850 -14.257 421 1HH1 ARG 68 1HH1 ARG 68 9.360 0.042 -14.796 422 2HH1 ARG 68 2HH1 ARG 68 10.580 1.029 -14.065 423 1HH2 ARG 68 1HH2 ARG 68 12.246 -1.641 -12.611 424 2HH2 ARG 68 2HH2 ARG 68 12.214 0.077 -12.827 425 H LYS 69 H LYS 69 10.722 -6.220 -9.683 426 HA LYS 69 HA LYS 69 10.852 -5.664 -7.019 427 1HB LYS 69 2HB LYS 69 12.352 -7.118 -8.452 428 2HB LYS 69 1HB LYS 69 13.282 -5.667 -8.826 429 1HG LYS 69 2HG LYS 69 12.984 -5.647 -6.029 430 2HG LYS 69 1HG LYS 69 13.368 -7.318 -6.445 431 1HD LYS 69 2HD LYS 69 14.928 -4.933 -7.465 432 2HD LYS 69 1HD LYS 69 15.391 -5.876 -6.048 433 1HE LYS 69 2HE LYS 69 15.062 -6.973 -8.869 434 2HE LYS 69 1HE LYS 69 16.600 -6.719 -8.021 435 1HZ LYS 69 1HZ LYS 69 14.630 -8.795 -7.651 436 2HZ LYS 69 2HZ LYS 69 15.135 -8.072 -6.198 437 3HZ LYS 69 3HZ LYS 69 16.274 -8.783 -7.241 438 H SER 70 H SER 70 12.527 -3.643 -9.470 439 HA SER 70 HA SER 70 12.739 -1.485 -7.404 440 1HB SER 70 2HB SER 70 14.346 -0.748 -9.480 441 2HB SER 70 1HB SER 70 14.888 -1.742 -8.135 442 HG SER 70 HG SER 70 15.223 -3.216 -9.590 443 H TYR 71 H TYR 71 11.930 0.588 -7.887 444 HA TYR 71 HA TYR 71 11.039 1.392 -10.509 445 1HB TYR 71 2HB TYR 71 8.674 1.079 -10.241 446 2HB TYR 71 1HB TYR 71 9.427 -0.454 -9.809 447 HD1 TYR 71 HD1 TYR 71 7.628 2.493 -8.563 448 HD2 TYR 71 HD2 TYR 71 9.581 -1.172 -7.453 449 HE1 TYR 71 HE1 TYR 71 6.570 2.608 -6.322 450 HE2 TYR 71 HE2 TYR 71 8.522 -1.054 -5.211 451 HH TYR 71 HH TYR 71 6.194 1.512 -4.408 452 H THR 72 H THR 72 10.965 3.606 -10.459 453 HA THR 72 HA THR 72 11.567 5.139 -8.167 454 HB THR 72 HB THR 72 9.907 6.277 -10.366 455 HG1 THR 72 HG1 THR 72 11.099 5.328 -11.787 456 1HG2 THR 72 1HG2 THR 72 12.507 7.436 -9.951 457 2HG2 THR 72 2HG2 THR 72 11.696 7.225 -8.399 458 3HG2 THR 72 3HG2 THR 72 10.921 8.159 -9.680 459 H GLY 73 H GLY 73 10.329 5.442 -6.374 460 1HA GLY 73 2HA GLY 73 7.460 4.907 -6.422 461 2HA GLY 73 1HA GLY 73 8.392 5.435 -5.021 462 H SER 74 H SER 74 5.824 6.477 -6.003 463 HA SER 74 HA SER 74 6.419 9.316 -5.784 464 1HB SER 74 2HB SER 74 6.922 8.432 -8.221 465 2HB SER 74 1HB SER 74 5.173 8.510 -8.396 466 HG SER 74 HG SER 74 5.232 10.667 -8.038 467 H THR 75 H THR 75 4.636 10.180 -4.784 468 HA THR 75 HA THR 75 2.305 8.729 -4.135 469 HB THR 75 HB THR 75 1.425 11.063 -3.644 470 HG1 THR 75 HG1 THR 75 2.508 12.116 -5.336 471 1HG2 THR 75 1HG2 THR 75 2.615 10.015 -1.886 472 2HG2 THR 75 2HG2 THR 75 3.385 11.591 -2.064 473 3HG2 THR 75 3HG2 THR 75 4.154 10.155 -2.737 474 HA PRO 76 HA PRO 76 -0.167 8.954 -7.749 475 1HB PRO 76 2HB PRO 76 -2.672 9.008 -6.671 476 2HB PRO 76 1HB PRO 76 -1.647 7.558 -6.674 477 1HG PRO 76 2HG PRO 76 -2.191 9.484 -4.472 478 2HG PRO 76 1HG PRO 76 -1.982 7.727 -4.412 479 1HD PRO 76 2HD PRO 76 -0.034 9.524 -3.711 480 2HD PRO 76 1HD PRO 76 0.293 7.872 -4.278 481 H GLU 77 H GLU 77 0.622 11.660 -6.344 482 HA GLU 77 HA GLU 77 -1.649 13.315 -7.354 483 1HB GLU 77 2HB GLU 77 -1.165 13.531 -4.968 484 2HB GLU 77 1HB GLU 77 0.535 13.843 -5.320 485 1HG GLU 77 2HG GLU 77 0.140 16.021 -5.771 486 2HG GLU 77 1HG GLU 77 -1.238 15.631 -6.797 487 H GLY 78 H GLY 78 1.701 14.283 -6.715 488 1HA GLY 78 2HA GLY 78 2.556 14.326 -9.461 489 2HA GLY 78 1HA GLY 78 1.966 15.919 -8.991 490 H THR 79 H THR 79 3.544 13.743 -6.719 491 HA THR 79 HA THR 79 5.960 15.522 -6.771 492 HB THR 79 HB THR 79 4.684 14.337 -4.297 493 HG1 THR 79 HG1 THR 79 3.217 15.730 -5.358 494 1HG2 THR 79 1HG2 THR 79 6.129 16.883 -4.153 495 2HG2 THR 79 2HG2 THR 79 7.131 15.547 -4.717 496 3HG2 THR 79 3HG2 THR 79 6.304 15.434 -3.163 497 HA PRO 80 HA PRO 80 7.844 11.500 -7.075 498 1HB PRO 80 2HB PRO 80 10.427 12.372 -7.229 499 2HB PRO 80 1HB PRO 80 9.301 12.443 -8.599 500 1HG PRO 80 2HG PRO 80 10.198 14.608 -6.776 501 2HG PRO 80 1HG PRO 80 9.806 14.671 -8.501 502 1HD PRO 80 2HD PRO 80 8.129 15.525 -6.476 503 2HD PRO 80 1HD PRO 80 7.595 15.062 -8.107 504 H VAL 81 H VAL 81 7.830 10.391 -5.129 505 HA VAL 81 HA VAL 81 8.833 11.512 -2.642 506 HB VAL 81 HB VAL 81 8.095 8.709 -3.492 507 1HG1 VAL 81 1HG1 VAL 81 9.300 8.506 -1.455 508 2HG1 VAL 81 2HG1 VAL 81 7.603 8.520 -0.975 509 3HG1 VAL 81 3HG1 VAL 81 8.584 9.977 -0.796 510 1HG2 VAL 81 1HG2 VAL 81 5.952 9.370 -2.238 511 2HG2 VAL 81 2HG2 VAL 81 6.201 10.094 -3.823 512 3HG2 VAL 81 3HG2 VAL 81 6.529 11.030 -2.369 513 H GLY 82 H GLY 82 10.206 9.709 -5.257 514 1HA GLY 82 2HA GLY 82 12.782 9.943 -5.191 515 2HA GLY 82 1HA GLY 82 12.642 9.122 -3.634 516 H SER 83 H SER 83 14.112 7.570 -4.924 517 HA SER 83 HA SER 83 12.624 5.827 -6.807 518 1HB SER 83 2HB SER 83 15.472 5.589 -5.835 519 2HB SER 83 1HB SER 83 14.794 4.978 -7.341 520 HG SER 83 HG SER 83 14.725 6.999 -8.139 521 H VAL 84 H VAL 84 12.083 3.676 -6.304 522 HA VAL 84 HA VAL 84 12.524 2.863 -3.449 523 HB VAL 84 HB VAL 84 10.285 2.580 -5.437 524 1HG1 VAL 84 1HG1 VAL 84 9.234 0.880 -3.941 525 2HG1 VAL 84 2HG1 VAL 84 10.738 0.789 -3.022 526 3HG1 VAL 84 3HG1 VAL 84 10.702 0.272 -4.710 527 1HG2 VAL 84 1HG2 VAL 84 8.969 3.444 -3.627 528 2HG2 VAL 84 2HG2 VAL 84 10.458 4.389 -3.637 529 3HG2 VAL 84 3HG2 VAL 84 10.239 3.101 -2.452 530 H ASP 85 H ASP 85 13.203 0.718 -3.055 531 HA ASP 85 HA ASP 85 13.807 -1.002 -5.416 532 1HB ASP 85 2HB ASP 85 16.088 -1.364 -4.236 533 2HB ASP 85 1HB ASP 85 15.851 0.154 -5.104 534 H CYS 86 H CYS 86 12.794 -2.896 -4.931 535 HA CYS 86 HA CYS 86 12.162 -3.685 -2.196 536 1HB CYS 86 2HB CYS 86 11.119 -4.096 -4.703 537 2HB CYS 86 1HB CYS 86 11.912 -5.639 -4.396 538 H ALA 87 H ALA 87 15.054 -3.773 -3.765 539 HA ALA 87 HA ALA 87 15.993 -6.453 -3.568 540 1HB ALA 87 1HB ALA 87 18.003 -5.448 -4.063 541 2HB ALA 87 2HB ALA 87 17.809 -4.226 -2.808 542 3HB ALA 87 3HB ALA 87 16.979 -4.043 -4.354 543 H THR 88 H THR 88 15.978 -3.812 -1.225 544 HA THR 88 HA THR 88 16.408 -5.804 0.968 545 HB THR 88 HB THR 88 18.369 -4.338 0.503 546 HG1 THR 88 HG1 THR 88 18.523 -4.578 2.571 547 1HG2 THR 88 1HG2 THR 88 16.818 -1.967 1.456 548 2HG2 THR 88 2HG2 THR 88 16.666 -2.439 -0.234 549 3HG2 THR 88 3HG2 THR 88 18.246 -2.030 0.427 550 H ALA 89 H ALA 89 14.276 -3.672 -0.453 551 HA ALA 89 HA ALA 89 13.014 -2.769 2.069 552 1HB ALA 89 1HB ALA 89 11.872 -1.225 0.633 553 2HB ALA 89 2HB ALA 89 12.253 -2.178 -0.799 554 3HB ALA 89 3HB ALA 89 13.531 -1.295 0.040 555 H ALA 90 H ALA 90 10.504 -2.901 1.965 556 HA ALA 90 HA ALA 90 9.734 -5.629 0.983 557 1HB ALA 90 1HB ALA 90 8.862 -3.927 3.334 558 2HB ALA 90 2HB ALA 90 9.721 -5.465 3.387 559 3HB ALA 90 3HB ALA 90 8.037 -5.414 2.868 560 H CYS 91 H CYS 91 8.178 -5.648 -0.599 561 HA CYS 91 HA CYS 91 6.575 -3.149 -1.016 562 1HB CYS 91 2HB CYS 91 7.274 -5.353 -2.974 563 2HB CYS 91 1HB CYS 91 6.595 -3.772 -3.358 564 H ASN 92 H ASN 92 4.340 -3.517 -1.816 565 HA ASN 92 HA ASN 92 3.195 -6.220 -1.410 566 1HB ASN 92 2HB ASN 92 1.548 -5.217 0.244 567 2HB ASN 92 1HB ASN 92 3.209 -5.326 0.833 568 1HD2 ASN 92 1HD2 ASN 92 0.737 -3.056 -0.346 569 2HD2 ASN 92 2HD2 ASN 92 1.531 -1.652 0.184 570 H LEU 93 H LEU 93 1.307 -6.478 -2.618 571 HA LEU 93 HA LEU 93 0.641 -4.372 -4.550 572 1HB LEU 93 2HB LEU 93 0.850 -6.818 -5.050 573 2HB LEU 93 1HB LEU 93 -0.567 -7.105 -4.040 574 HG LEU 93 HG LEU 93 -1.926 -5.678 -5.493 575 1HD1 LEU 93 1HD1 LEU 93 0.716 -4.896 -6.451 576 2HD1 LEU 93 2HD1 LEU 93 -0.828 -4.062 -6.624 577 3HD1 LEU 93 3HD1 LEU 93 -0.367 -5.316 -7.776 578 1HD2 LEU 93 1HD2 LEU 93 -2.226 -7.293 -7.106 579 2HD2 LEU 93 2HD2 LEU 93 -1.147 -8.193 -6.041 580 3HD2 LEU 93 3HD2 LEU 93 -0.504 -7.392 -7.475 581 H GLY 94 H GLY 94 -1.438 -3.349 -4.704 582 1HA GLY 94 2HA GLY 94 -3.443 -3.923 -2.608 583 2HA GLY 94 1HA GLY 94 -2.723 -2.315 -2.559 584 H ALA 95 H ALA 95 -5.518 -3.392 -3.286 585 HA ALA 95 HA ALA 95 -5.792 -1.767 -5.795 586 1HB ALA 95 1HB ALA 95 -7.100 -3.486 -6.801 587 2HB ALA 95 2HB ALA 95 -7.297 -4.336 -5.268 588 3HB ALA 95 3HB ALA 95 -5.733 -4.333 -6.079 589 H GLY 96 H GLY 96 -8.167 -1.159 -6.134 590 1HA GLY 96 2HA GLY 96 -10.412 -1.170 -4.889 591 2HA GLY 96 1HA GLY 96 -9.463 -0.710 -3.475 592 H ASN 97 H ASN 97 -11.612 0.840 -4.682 593 HA ASN 97 HA ASN 97 -10.263 3.100 -6.024 594 1HB ASN 97 2HB ASN 97 -12.524 3.852 -6.430 595 2HB ASN 97 1HB ASN 97 -12.497 2.113 -6.704 596 1HD2 ASN 97 1HD2 ASN 97 -14.221 4.527 -5.128 597 2HD2 ASN 97 2HD2 ASN 97 -14.994 3.574 -3.955 598 H SER 98 H SER 98 -11.783 5.225 -5.025 599 HA SER 98 HA SER 98 -10.441 5.744 -2.474 600 1HB SER 98 2HB SER 98 -10.802 7.373 -4.362 601 2HB SER 98 1HB SER 98 -12.517 7.352 -3.990 602 HG SER 98 HG SER 98 -10.525 7.922 -2.056 603 H GLY 99 H GLY 99 -12.944 3.796 -2.903 604 1HA GLY 99 2HA GLY 99 -14.277 4.669 -0.392 605 2HA GLY 99 1HA GLY 99 -15.277 4.307 -1.800 606 H LEU 100 H LEU 100 -15.003 2.083 -2.739 607 HA LEU 100 HA LEU 100 -15.133 0.078 -0.640 608 1HB LEU 100 2HB LEU 100 -16.413 0.215 -2.846 609 2HB LEU 100 1HB LEU 100 -14.926 -0.319 -3.632 610 HG LEU 100 HG LEU 100 -15.702 -1.931 -1.291 611 1HD1 LEU 100 1HD1 LEU 100 -17.834 -1.192 -2.793 612 2HD1 LEU 100 2HD1 LEU 100 -17.698 -2.775 -2.030 613 3HD1 LEU 100 3HD1 LEU 100 -17.269 -2.577 -3.729 614 1HD2 LEU 100 1HD2 LEU 100 -15.370 -3.139 -3.963 615 2HD2 LEU 100 2HD2 LEU 100 -14.554 -3.520 -2.446 616 3HD2 LEU 100 3HD2 LEU 100 -14.000 -2.165 -3.429 617 H ASP 101 H ASP 101 -13.314 -0.800 0.279 618 HA ASP 101 HA ASP 101 -10.762 -0.791 -1.256 619 1HB ASP 101 2HB ASP 101 -11.647 -0.553 1.506 620 2HB ASP 101 1HB ASP 101 -10.367 -1.757 1.345 621 H LEU 102 H LEU 102 -9.989 -2.674 -2.127 622 HA LEU 102 HA LEU 102 -11.468 -5.179 -1.755 623 1HB LEU 102 2HB LEU 102 -9.115 -4.223 -3.388 624 2HB LEU 102 1HB LEU 102 -9.605 -5.918 -3.389 625 HG LEU 102 HG LEU 102 -11.485 -3.629 -4.015 626 1HD1 LEU 102 1HD1 LEU 102 -9.458 -4.977 -5.641 627 2HD1 LEU 102 2HD1 LEU 102 -10.380 -3.514 -5.986 628 3HD1 LEU 102 3HD1 LEU 102 -11.074 -5.097 -6.335 629 1HD2 LEU 102 1HD2 LEU 102 -12.887 -5.463 -4.917 630 2HD2 LEU 102 2HD2 LEU 102 -12.549 -5.700 -3.203 631 3HD2 LEU 102 3HD2 LEU 102 -11.670 -6.634 -4.412 632 H GLY 103 H GLY 103 -7.973 -5.168 -2.017 633 1HA GLY 103 2HA GLY 103 -7.522 -5.813 0.798 634 2HA GLY 103 1HA GLY 103 -7.390 -7.208 -0.275 635 H HIS 104 H HIS 104 -5.109 -6.811 0.874 636 HA HIS 104 HA HIS 104 -3.417 -5.429 -1.163 637 1HB HIS 104 2HB HIS 104 -2.082 -4.539 0.777 638 2HB HIS 104 1HB HIS 104 -3.723 -3.898 0.706 639 HD1 HIS 104 HD1 HIS 104 -1.482 -6.075 2.742 640 HD2 HIS 104 HD2 HIS 104 -5.498 -4.958 2.709 641 HE1 HIS 104 HE1 HIS 104 -2.447 -6.799 4.970 642 H VAL 105 H VAL 105 -2.275 -7.164 -1.981 643 HA VAL 105 HA VAL 105 -1.548 -9.449 -0.267 644 HB VAL 105 HB VAL 105 -1.067 -8.725 -3.173 645 1HG1 VAL 105 1HG1 VAL 105 -0.753 -11.314 -3.246 646 2HG1 VAL 105 2HG1 VAL 105 -0.376 -11.154 -1.540 647 3HG1 VAL 105 3HG1 VAL 105 0.600 -10.313 -2.743 648 1HG2 VAL 105 1HG2 VAL 105 -2.963 -10.039 -3.664 649 2HG2 VAL 105 2HG2 VAL 105 -3.450 -9.151 -2.220 650 3HG2 VAL 105 3HG2 VAL 105 -2.932 -10.832 -2.089 651 H ALA 106 H ALA 106 0.826 -10.228 -0.461 652 HA ALA 106 HA ALA 106 2.681 -7.871 -0.317 653 1HB ALA 106 1HB ALA 106 2.694 -8.511 1.876 654 2HB ALA 106 2HB ALA 106 3.780 -9.779 1.307 655 3HB ALA 106 3HB ALA 106 2.061 -10.115 1.505 656 H LEU 107 H LEU 107 4.690 -8.140 -1.325 657 HA LEU 107 HA LEU 107 5.061 -10.699 -2.855 658 1HB LEU 107 2HB LEU 107 6.240 -7.983 -3.507 659 2HB LEU 107 1HB LEU 107 5.994 -9.347 -4.590 660 HG LEU 107 HG LEU 107 3.658 -7.978 -3.255 661 1HD1 LEU 107 1HD1 LEU 107 3.407 -6.643 -5.320 662 2HD1 LEU 107 2HD1 LEU 107 4.940 -7.284 -5.912 663 3HD1 LEU 107 3HD1 LEU 107 4.910 -6.255 -4.481 664 1HD2 LEU 107 1HD2 LEU 107 2.823 -9.899 -4.223 665 2HD2 LEU 107 2HD2 LEU 107 4.117 -9.981 -5.419 666 3HD2 LEU 107 3HD2 LEU 107 2.783 -8.849 -5.640 667 H THR 108 H THR 108 7.398 -11.270 -3.196 668 HA THR 108 HA THR 108 9.250 -10.139 -1.152 669 HB THR 108 HB THR 108 9.059 -13.092 -1.546 670 HG1 THR 108 HG1 THR 108 7.511 -11.990 0.459 671 1HG2 THR 108 1HG2 THR 108 9.303 -11.916 1.133 672 2HG2 THR 108 2HG2 THR 108 10.602 -11.468 0.026 673 3HG2 THR 108 3HG2 THR 108 10.275 -13.167 0.360 674 H PHE 109 H PHE 109 10.698 -9.301 -2.659 675 HA PHE 109 HA PHE 109 11.505 -10.859 -5.011 676 1HB PHE 109 2HB PHE 109 12.248 -8.203 -3.780 677 2HB PHE 109 1HB PHE 109 13.028 -8.817 -5.240 678 HD1 PHE 109 HD1 PHE 109 9.702 -7.987 -3.760 679 HD2 PHE 109 HD2 PHE 109 11.982 -8.642 -7.341 680 HE1 PHE 109 HE1 PHE 109 7.793 -7.184 -5.134 681 HE2 PHE 109 HE2 PHE 109 10.082 -7.840 -8.712 682 HZ PHE 109 HZ PHE 109 7.982 -7.115 -7.611 683 H GLY 110 H GLY 110 13.044 -12.417 -4.858 684 1HA GLY 110 2HA GLY 110 15.032 -13.502 -4.231 685 2HA GLY 110 1HA GLY 110 15.585 -11.955 -3.589 686 2H2' ROM 111 2H2' ROM 111 -9.050 4.840 -7.421 687 2H3' ROM 111 2H3' ROM 111 -8.183 6.173 -9.628 688 H'1 ROM 111 H'1 ROM 111 -3.485 3.240 -9.351 689 3H18 ROM 111 3H18 ROM 111 -3.612 0.786 0.370 690 2H18 ROM 111 2H18 ROM 111 -2.017 1.052 0.893 691 2H23 ROM 111 2H23 ROM 111 -4.707 6.954 -1.295 692 H1' ROM 111 H1' ROM 111 -7.708 6.494 -6.322 693 H2' ROM 111 H2' ROM 111 -10.638 7.082 -6.720 694 H3' ROM 111 H3' ROM 111 -10.047 6.946 -9.104 695 H4' ROM 111 H4' ROM 111 -10.046 9.123 -7.979 696 1H6B ROM 111 1H6B ROM 111 -8.625 10.768 -6.052 697 3H6B ROM 111 3H6B ROM 111 -7.024 10.830 -6.788 698 2H6B ROM 111 2H6B ROM 111 -8.465 11.000 -7.793 699 1H6A ROM 111 1H6A ROM 111 -5.939 9.127 -7.079 700 3H6A ROM 111 3H6A ROM 111 -6.552 7.496 -7.335 701 2H6A ROM 111 2H6A ROM 111 -6.596 8.670 -8.648 702 1H4B ROM 111 1H4B ROM 111 -7.314 7.920 -10.180 703 3H4B ROM 111 3H4B ROM 111 -8.984 7.629 -10.692 704 2H4B ROM 111 2H4B ROM 111 -8.030 8.907 -11.464 705 1H4A ROM 111 1H4A ROM 111 -10.651 9.499 -10.209 706 3H4A ROM 111 3H4A ROM 111 -10.017 10.928 -9.370 707 2H4A ROM 111 2H4A ROM 111 -9.481 10.557 -11.019 708 H'8 ROM 111 H'8 ROM 111 -0.066 5.920 -7.652 709 H'6 ROM 111 H'6 ROM 111 -1.066 7.553 -11.467 710 1H3A ROM 111 1H3A ROM 111 -5.333 5.126 -13.500 711 2H3A ROM 111 2H3A ROM 111 -4.038 4.056 -14.278 712 1H7A ROM 111 1H7A ROM 111 1.756 6.326 -9.799 713 3H7A ROM 111 3H7A ROM 111 1.887 7.762 -10.816 714 2H7A ROM 111 2H7A ROM 111 2.498 7.795 -9.165 715 H3 ROM 111 H3 ROM 111 -4.261 5.629 -5.826 716 H6 ROM 111 H6 ROM 111 -6.790 2.237 -3.285 717 H5 ROM 111 H5 ROM 111 -4.740 1.560 -4.520 718 H12 ROM 111 H12 ROM 111 -5.032 7.953 -4.584 719 H8 ROM 111 H8 ROM 111 -8.741 4.357 -3.460 720 H13 ROM 111 H13 ROM 111 -3.209 2.187 -6.432 721 H10 ROM 111 H10 ROM 111 -8.499 7.725 -2.153 722 H11 ROM 111 H11 ROM 111 -6.378 9.150 -2.736 723 2H14 ROM 111 2H14 ROM 111 -1.031 2.636 -5.490 724 1H14 ROM 111 1H14 ROM 111 -1.634 4.069 -4.651 725 2H17 ROM 111 2H17 ROM 111 -2.859 1.034 -1.823 726 1H17 ROM 111 1H17 ROM 111 -1.228 1.422 -1.274 727 H18 ROM 111 H18 ROM 111 -2.088 3.304 0.032 728 H20 ROM 111 H20 ROM 111 -5.228 1.451 -0.312 729 H24 ROM 111 H24 ROM 111 -3.241 5.149 -1.050 730 4H18 ROM 111 4H18 ROM 111 -3.297 1.921 1.594 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -15.882 -8.338 4.830 2 2H ALA 1 2H ALA 1 -17.406 -8.188 4.095 3 3H ALA 1 3H ALA 1 -16.840 -6.970 5.136 4 HA ALA 1 HA ALA 1 -16.587 -6.200 2.882 5 1HB ALA 1 1HB ALA 1 -13.812 -6.668 3.231 6 2HB ALA 1 2HB ALA 1 -14.526 -6.658 4.845 7 3HB ALA 1 3HB ALA 1 -14.737 -5.269 3.778 8 HA PRO 2 HA PRO 2 -15.680 -9.046 -0.328 9 1HB PRO 2 2HB PRO 2 -14.149 -7.546 -2.038 10 2HB PRO 2 1HB PRO 2 -15.890 -7.295 -1.827 11 1HG PRO 2 2HG PRO 2 -13.604 -5.778 -0.673 12 2HG PRO 2 1HG PRO 2 -15.160 -5.189 -1.282 13 1HD PRO 2 2HD PRO 2 -14.599 -5.488 1.374 14 2HD PRO 2 1HD PRO 2 -16.238 -5.596 0.698 15 H ALA 3 H ALA 3 -13.204 -9.081 -1.910 16 HA ALA 3 HA ALA 3 -11.042 -9.489 0.073 17 1HB ALA 3 1HB ALA 3 -12.568 -11.518 -0.022 18 2HB ALA 3 2HB ALA 3 -10.870 -11.844 -0.368 19 3HB ALA 3 3HB ALA 3 -12.033 -11.739 -1.688 20 H PHE 4 H PHE 4 -9.111 -10.585 -1.221 21 HA PHE 4 HA PHE 4 -8.906 -9.972 -4.069 22 1HB PHE 4 2HB PHE 4 -8.790 -7.714 -3.146 23 2HB PHE 4 1HB PHE 4 -7.588 -8.226 -1.960 24 HD1 PHE 4 HD1 PHE 4 -5.380 -7.682 -2.440 25 HD2 PHE 4 HD2 PHE 4 -8.097 -8.453 -5.677 26 HE1 PHE 4 HE1 PHE 4 -3.571 -7.216 -4.071 27 HE2 PHE 4 HE2 PHE 4 -6.288 -7.986 -7.308 28 HZ PHE 4 HZ PHE 4 -4.025 -7.366 -6.502 29 H SER 5 H SER 5 -7.437 -11.524 -4.798 30 HA SER 5 HA SER 5 -5.121 -12.168 -3.035 31 1HB SER 5 2HB SER 5 -6.849 -13.736 -2.411 32 2HB SER 5 1HB SER 5 -7.196 -14.103 -4.099 33 HG SER 5 HG SER 5 -5.837 -15.674 -3.119 34 H VAL 6 H VAL 6 -3.379 -13.171 -4.127 35 HA VAL 6 HA VAL 6 -3.461 -13.014 -7.125 36 HB VAL 6 HB VAL 6 -2.160 -11.243 -5.959 37 1HG1 VAL 6 1HG1 VAL 6 -0.868 -13.659 -4.700 38 2HG1 VAL 6 2HG1 VAL 6 -1.602 -12.274 -3.898 39 3HG1 VAL 6 3HG1 VAL 6 -0.061 -12.092 -4.741 40 1HG2 VAL 6 1HG2 VAL 6 -0.688 -13.369 -7.510 41 2HG2 VAL 6 2HG2 VAL 6 0.161 -11.936 -6.928 42 3HG2 VAL 6 3HG2 VAL 6 -1.193 -11.766 -8.044 43 H SER 7 H SER 7 -2.362 -14.808 -8.203 44 HA SER 7 HA SER 7 -2.435 -17.335 -6.976 45 1HB SER 7 2HB SER 7 -1.023 -16.125 -9.322 46 2HB SER 7 1HB SER 7 -0.599 -17.768 -8.856 47 HG SER 7 HG SER 7 -2.349 -17.629 -10.374 48 HA PRO 8 HA PRO 8 2.068 -17.285 -5.598 49 1HB PRO 8 2HB PRO 8 3.908 -15.598 -6.675 50 2HB PRO 8 1HB PRO 8 3.453 -17.128 -7.453 51 1HG PRO 8 2HG PRO 8 2.612 -14.351 -8.106 52 2HG PRO 8 1HG PRO 8 2.944 -15.715 -9.184 53 1HD PRO 8 2HD PRO 8 0.419 -14.878 -8.474 54 2HD PRO 8 1HD PRO 8 0.831 -16.515 -9.026 55 H ALA 9 H ALA 9 3.810 -15.639 -4.484 56 HA ALA 9 HA ALA 9 3.064 -12.935 -3.913 57 1HB ALA 9 1HB ALA 9 1.977 -13.271 -1.732 58 2HB ALA 9 2HB ALA 9 2.107 -15.017 -1.929 59 3HB ALA 9 3HB ALA 9 1.066 -14.084 -3.000 60 H SER 10 H SER 10 5.410 -14.694 -4.256 61 HA SER 10 HA SER 10 7.128 -13.596 -2.214 62 1HB SER 10 2HB SER 10 7.403 -15.459 -0.822 63 2HB SER 10 1HB SER 10 5.682 -15.543 -1.184 64 HG SER 10 HG SER 10 6.193 -17.476 -1.858 65 H GLY 11 H GLY 11 9.419 -14.414 -2.550 66 1HA GLY 11 2HA GLY 11 11.151 -14.732 -4.139 67 2HA GLY 11 1HA GLY 11 10.317 -16.262 -4.404 68 H LEU 12 H LEU 12 9.172 -12.976 -5.087 69 HA LEU 12 HA LEU 12 8.301 -13.760 -7.765 70 1HB LEU 12 2HB LEU 12 8.379 -11.128 -6.259 71 2HB LEU 12 1HB LEU 12 7.518 -11.393 -7.776 72 HG LEU 12 HG LEU 12 6.996 -12.755 -5.120 73 1HD1 LEU 12 1HD1 LEU 12 5.195 -11.376 -4.929 74 2HD1 LEU 12 2HD1 LEU 12 4.837 -11.449 -6.655 75 3HD1 LEU 12 3HD1 LEU 12 6.081 -10.351 -6.059 76 1HD2 LEU 12 1HD2 LEU 12 5.913 -13.294 -7.899 77 2HD2 LEU 12 2HD2 LEU 12 5.113 -13.854 -6.430 78 3HD2 LEU 12 3HD2 LEU 12 6.732 -14.430 -6.826 79 H SER 13 H SER 13 8.818 -11.665 -9.385 80 HA SER 13 HA SER 13 11.682 -10.948 -9.327 81 1HB SER 13 2HB SER 13 10.490 -12.664 -11.520 82 2HB SER 13 1HB SER 13 12.166 -12.138 -11.405 83 HG SER 13 HG SER 13 12.516 -13.565 -9.859 84 H ASP 14 H ASP 14 12.072 -9.111 -10.619 85 HA ASP 14 HA ASP 14 9.895 -7.430 -11.353 86 1HB ASP 14 2HB ASP 14 11.638 -6.024 -12.244 87 2HB ASP 14 1HB ASP 14 12.316 -6.855 -10.843 88 H GLY 15 H GLY 15 8.723 -7.265 -13.237 89 1HA GLY 15 2HA GLY 15 8.331 -7.457 -15.593 90 2HA GLY 15 1HA GLY 15 9.722 -8.530 -15.703 91 H GLN 16 H GLN 16 8.795 -10.112 -13.370 92 HA GLN 16 HA GLN 16 7.361 -12.150 -14.751 93 1HB GLN 16 2HB GLN 16 8.746 -12.502 -12.752 94 2HB GLN 16 1HB GLN 16 7.623 -11.534 -11.793 95 1HG GLN 16 2HG GLN 16 5.807 -13.197 -12.539 96 2HG GLN 16 1HG GLN 16 7.133 -14.229 -13.072 97 1HE2 GLN 16 1HE2 GLN 16 5.229 -14.731 -10.831 98 2HE2 GLN 16 2HE2 GLN 16 6.187 -14.891 -9.443 99 H SER 17 H SER 17 5.185 -12.452 -15.080 100 HA SER 17 HA SER 17 3.321 -10.422 -13.932 101 1HB SER 17 2HB SER 17 2.287 -12.154 -16.020 102 2HB SER 17 1HB SER 17 2.454 -10.402 -16.019 103 HG SER 17 HG SER 17 3.744 -11.504 -17.622 104 H VAL 18 H VAL 18 2.003 -11.140 -12.309 105 HA VAL 18 HA VAL 18 1.658 -14.076 -11.931 106 HB VAL 18 HB VAL 18 1.161 -13.460 -9.645 107 1HG1 VAL 18 1HG1 VAL 18 3.562 -12.919 -10.876 108 2HG1 VAL 18 2HG1 VAL 18 3.297 -12.878 -9.132 109 3HG1 VAL 18 3HG1 VAL 18 3.211 -11.388 -10.074 110 1HG2 VAL 18 1HG2 VAL 18 1.298 -10.535 -10.407 111 2HG2 VAL 18 2HG2 VAL 18 0.663 -11.255 -8.928 112 3HG2 VAL 18 3HG2 VAL 18 -0.230 -11.413 -10.437 113 H SER 19 H SER 19 -0.592 -14.778 -11.244 114 HA SER 19 HA SER 19 -2.621 -13.416 -12.940 115 1HB SER 19 2HB SER 19 -2.639 -16.047 -11.437 116 2HB SER 19 1HB SER 19 -3.847 -15.528 -12.609 117 HG SER 19 HG SER 19 -2.552 -16.205 -14.109 118 H VAL 20 H VAL 20 -3.396 -11.670 -11.710 119 HA VAL 20 HA VAL 20 -4.034 -12.012 -8.857 120 HB VAL 20 HB VAL 20 -4.332 -9.794 -10.896 121 1HG1 VAL 20 1HG1 VAL 20 -5.003 -9.839 -7.937 122 2HG1 VAL 20 2HG1 VAL 20 -6.113 -9.528 -9.272 123 3HG1 VAL 20 3HG1 VAL 20 -4.845 -8.362 -8.890 124 1HG2 VAL 20 1HG2 VAL 20 -2.526 -10.141 -8.475 125 2HG2 VAL 20 2HG2 VAL 20 -2.523 -8.762 -9.575 126 3HG2 VAL 20 3HG2 VAL 20 -2.029 -10.352 -10.154 127 H SER 21 H SER 21 -6.287 -11.341 -8.122 128 HA SER 21 HA SER 21 -8.514 -11.569 -9.981 129 1HB SER 21 2HB SER 21 -9.219 -13.780 -9.394 130 2HB SER 21 1HB SER 21 -7.495 -13.907 -9.739 131 HG SER 21 HG SER 21 -8.878 -14.181 -7.361 132 H VAL 22 H VAL 22 -9.833 -10.074 -8.990 133 HA VAL 22 HA VAL 22 -9.924 -9.967 -6.024 134 HB VAL 22 HB VAL 22 -11.181 -8.105 -8.045 135 1HG1 VAL 22 1HG1 VAL 22 -10.544 -6.494 -6.093 136 2HG1 VAL 22 2HG1 VAL 22 -10.407 -7.968 -5.137 137 3HG1 VAL 22 3HG1 VAL 22 -11.944 -7.546 -5.892 138 1HG2 VAL 22 1HG2 VAL 22 -8.772 -6.978 -7.128 139 2HG2 VAL 22 2HG2 VAL 22 -9.108 -7.569 -8.756 140 3HG2 VAL 22 3HG2 VAL 22 -8.369 -8.638 -7.565 141 H SER 23 H SER 23 -12.006 -10.014 -4.947 142 HA SER 23 HA SER 23 -14.371 -10.804 -6.565 143 1HB SER 23 2HB SER 23 -14.343 -12.971 -5.869 144 2HB SER 23 1HB SER 23 -12.660 -12.676 -5.444 145 HG SER 23 HG SER 23 -14.347 -13.462 -3.784 146 H GLY 24 H GLY 24 -16.219 -11.299 -4.754 147 1HA GLY 24 2HA GLY 24 -17.380 -10.550 -2.823 148 2HA GLY 24 1HA GLY 24 -15.962 -9.605 -2.371 149 H ALA 25 H ALA 25 -15.677 -8.133 -4.819 150 HA ALA 25 HA ALA 25 -17.361 -5.909 -4.356 151 1HB ALA 25 1HB ALA 25 -15.456 -6.883 -6.380 152 2HB ALA 25 2HB ALA 25 -15.606 -5.280 -5.660 153 3HB ALA 25 3HB ALA 25 -16.641 -5.741 -7.009 154 H ALA 26 H ALA 26 -18.462 -5.275 -6.910 155 HA ALA 26 HA ALA 26 -20.438 -7.444 -7.452 156 1HB ALA 26 1HB ALA 26 -21.520 -4.704 -7.139 157 2HB ALA 26 2HB ALA 26 -20.937 -5.464 -5.657 158 3HB ALA 26 3HB ALA 26 -22.197 -6.245 -6.613 159 H ALA 27 H ALA 27 -21.223 -7.415 -9.564 160 HA ALA 27 HA ALA 27 -19.791 -6.265 -11.668 161 1HB ALA 27 1HB ALA 27 -21.734 -8.039 -11.492 162 2HB ALA 27 2HB ALA 27 -21.529 -7.123 -12.986 163 3HB ALA 27 3HB ALA 27 -22.768 -6.651 -11.823 164 H GLY 28 H GLY 28 -19.689 -4.224 -12.506 165 1HA GLY 28 2HA GLY 28 -20.798 -2.169 -13.247 166 2HA GLY 28 1HA GLY 28 -21.870 -2.312 -11.855 167 H GLU 29 H GLU 29 -18.499 -2.991 -11.387 168 HA GLU 29 HA GLU 29 -18.118 -0.264 -10.198 169 1HB GLU 29 2HB GLU 29 -17.564 -2.989 -9.003 170 2HB GLU 29 1HB GLU 29 -17.007 -1.474 -8.291 171 1HG GLU 29 2HG GLU 29 -19.898 -1.667 -8.993 172 2HG GLU 29 1HG GLU 29 -19.343 -2.585 -7.593 173 H THR 30 H THR 30 -16.062 0.573 -10.446 174 HA THR 30 HA THR 30 -14.056 -1.128 -11.889 175 HB THR 30 HB THR 30 -14.099 1.864 -12.037 176 HG1 THR 30 HG1 THR 30 -15.810 0.190 -13.551 177 1HG2 THR 30 1HG2 THR 30 -13.867 0.228 -14.466 178 2HG2 THR 30 2HG2 THR 30 -12.640 -0.132 -13.251 179 3HG2 THR 30 3HG2 THR 30 -12.814 1.512 -13.869 180 H TYR 31 H TYR 31 -12.228 -1.466 -10.680 181 HA TYR 31 HA TYR 31 -11.621 0.483 -8.480 182 1HB TYR 31 2HB TYR 31 -11.096 -2.484 -8.803 183 2HB TYR 31 1HB TYR 31 -10.520 -1.522 -7.443 184 HD1 TYR 31 HD1 TYR 31 -11.937 -1.024 -5.612 185 HD2 TYR 31 HD2 TYR 31 -13.606 -2.593 -9.245 186 HE1 TYR 31 HE1 TYR 31 -14.122 -1.321 -4.477 187 HE2 TYR 31 HE2 TYR 31 -15.792 -2.890 -8.110 188 HH TYR 31 HH TYR 31 -16.866 -1.538 -5.807 189 H TYR 32 H TYR 32 -9.204 0.416 -7.904 190 HA TYR 32 HA TYR 32 -7.554 0.327 -10.408 191 1HB TYR 32 2HB TYR 32 -7.442 2.181 -7.999 192 2HB TYR 32 1HB TYR 32 -6.352 2.255 -9.383 193 HD1 TYR 32 HD1 TYR 32 -9.976 2.395 -8.461 194 HD2 TYR 32 HD2 TYR 32 -6.947 3.477 -11.309 195 HE1 TYR 32 HE1 TYR 32 -11.626 3.785 -9.689 196 HE2 TYR 32 HE2 TYR 32 -8.594 4.865 -12.535 197 HH TYR 32 HH TYR 32 -10.735 6.044 -12.042 198 H ILE 33 H ILE 33 -5.712 -0.945 -10.233 199 HA ILE 33 HA ILE 33 -4.989 -1.940 -7.494 200 HB ILE 33 HB ILE 33 -6.035 -3.540 -9.123 201 1HG1 ILE 33 2HG1 ILE 33 -3.129 -4.199 -8.575 202 2HG1 ILE 33 1HG1 ILE 33 -4.380 -4.231 -7.330 203 1HG2 ILE 33 1HG2 ILE 33 -3.455 -3.433 -10.662 204 2HG2 ILE 33 2HG2 ILE 33 -4.763 -2.323 -11.065 205 3HG2 ILE 33 3HG2 ILE 33 -5.022 -4.064 -11.163 206 1HD1 ILE 33 1HD1 ILE 33 -4.146 -5.958 -9.795 207 2HD1 ILE 33 2HD1 ILE 33 -5.682 -5.770 -8.947 208 3HD1 ILE 33 3HD1 ILE 33 -4.292 -6.463 -8.113 209 H ALA 34 H ALA 34 -2.821 -1.830 -6.901 210 HA ALA 34 HA ALA 34 -0.636 -1.497 -8.782 211 1HB ALA 34 1HB ALA 34 -2.107 0.732 -8.551 212 2HB ALA 34 2HB ALA 34 -0.354 0.800 -8.735 213 3HB ALA 34 3HB ALA 34 -1.080 0.956 -7.135 214 H GLN 35 H GLN 35 1.378 -1.728 -7.688 215 HA GLN 35 HA GLN 35 1.161 -2.419 -4.811 216 1HB GLN 35 2HB GLN 35 3.242 -3.605 -5.219 217 2HB GLN 35 1HB GLN 35 2.132 -3.970 -6.538 218 1HG GLN 35 2HG GLN 35 3.235 -2.470 -8.023 219 2HG GLN 35 1HG GLN 35 4.139 -1.717 -6.708 220 1HE2 GLN 35 1HE2 GLN 35 3.696 -5.000 -8.161 221 2HE2 GLN 35 2HE2 GLN 35 5.322 -5.454 -7.983 222 H CYS 36 H CYS 36 2.438 -1.400 -3.227 223 HA CYS 36 HA CYS 36 4.159 0.870 -4.130 224 1HB CYS 36 2HB CYS 36 2.403 1.224 -1.725 225 2HB CYS 36 1HB CYS 36 2.973 2.433 -2.867 226 H ALA 37 H ALA 37 5.294 1.775 -1.999 227 HA ALA 37 HA ALA 37 5.838 -0.299 0.036 228 1HB ALA 37 1HB ALA 37 8.114 -0.636 -0.611 229 2HB ALA 37 2HB ALA 37 8.077 0.737 -1.719 230 3HB ALA 37 3HB ALA 37 7.193 -0.737 -2.112 231 HA PRO 38 HA PRO 38 6.684 3.295 2.431 232 1HB PRO 38 2HB PRO 38 8.586 2.371 4.172 233 2HB PRO 38 1HB PRO 38 6.873 1.929 4.283 234 1HG PRO 38 2HG PRO 38 9.147 0.390 3.114 235 2HG PRO 38 1HG PRO 38 7.792 -0.182 4.103 236 1HD PRO 38 2HD PRO 38 7.866 -0.492 1.409 237 2HD PRO 38 1HD PRO 38 6.348 -0.279 2.311 238 H VAL 39 H VAL 39 8.530 4.818 3.049 239 HA VAL 39 HA VAL 39 11.054 4.427 1.566 240 HB VAL 39 HB VAL 39 9.247 5.338 0.009 241 1HG1 VAL 39 1HG1 VAL 39 8.058 7.137 0.656 242 2HG1 VAL 39 2HG1 VAL 39 9.541 8.073 0.849 243 3HG1 VAL 39 3HG1 VAL 39 8.916 7.122 2.197 244 1HG2 VAL 39 1HG2 VAL 39 11.437 5.661 -0.764 245 2HG2 VAL 39 2HG2 VAL 39 11.863 6.709 0.589 246 3HG2 VAL 39 3HG2 VAL 39 10.821 7.313 -0.700 247 H GLY 40 H GLY 40 11.194 4.504 4.152 248 1HA GLY 40 2HA GLY 40 12.213 5.642 5.937 249 2HA GLY 40 1HA GLY 40 12.598 6.931 4.799 250 H GLY 41 H GLY 41 9.309 5.806 5.487 251 1HA GLY 41 2HA GLY 41 7.961 6.983 7.261 252 2HA GLY 41 1HA GLY 41 8.808 8.456 6.789 253 H GLN 42 H GLN 42 8.694 8.242 4.001 254 HA GLN 42 HA GLN 42 5.860 8.925 3.545 255 1HB GLN 42 2HB GLN 42 8.481 9.503 2.437 256 2HB GLN 42 1HB GLN 42 7.352 9.058 1.158 257 1HG GLN 42 2HG GLN 42 7.260 11.479 1.560 258 2HG GLN 42 1HG GLN 42 5.733 10.727 2.026 259 1HE2 GLN 42 1HE2 GLN 42 5.279 10.506 4.354 260 2HE2 GLN 42 2HE2 GLN 42 6.140 11.416 5.499 261 H ASP 43 H ASP 43 4.683 7.967 1.686 262 HA ASP 43 HA ASP 43 5.471 5.110 1.235 263 1HB ASP 43 2HB ASP 43 3.055 6.482 2.060 264 2HB ASP 43 1HB ASP 43 2.757 5.535 0.602 265 H ALA 44 H ALA 44 6.338 4.907 -0.802 266 HA ALA 44 HA ALA 44 5.258 6.648 -2.983 267 1HB ALA 44 1HB ALA 44 7.805 5.016 -2.884 268 2HB ALA 44 2HB ALA 44 7.698 6.679 -2.306 269 3HB ALA 44 3HB ALA 44 7.415 6.316 -4.008 270 H CYS 45 H CYS 45 3.856 5.625 -4.354 271 HA CYS 45 HA CYS 45 3.933 2.654 -4.559 272 1HB CYS 45 2HB CYS 45 1.864 4.098 -4.003 273 2HB CYS 45 1HB CYS 45 1.890 4.562 -5.704 274 H ASN 46 H ASN 46 3.274 1.932 -6.951 275 HA ASN 46 HA ASN 46 5.301 3.109 -8.740 276 1HB ASN 46 2HB ASN 46 5.207 1.032 -9.818 277 2HB ASN 46 1HB ASN 46 4.754 0.591 -8.174 278 1HD2 ASN 46 1HD2 ASN 46 2.830 -0.553 -7.987 279 2HD2 ASN 46 2HD2 ASN 46 1.609 -0.604 -9.165 280 HA PRO 47 HA PRO 47 1.991 5.230 -10.846 281 1HB PRO 47 2HB PRO 47 3.600 6.900 -12.279 282 2HB PRO 47 1HB PRO 47 3.246 7.155 -10.560 283 1HG PRO 47 2HG PRO 47 5.721 6.212 -11.838 284 2HG PRO 47 1HG PRO 47 5.485 6.981 -10.262 285 1HD PRO 47 2HD PRO 47 5.868 4.205 -10.797 286 2HD PRO 47 1HD PRO 47 5.524 4.970 -9.231 287 H ALA 48 H ALA 48 4.694 3.503 -12.208 288 HA ALA 48 HA ALA 48 3.927 3.685 -15.000 289 1HB ALA 48 1HB ALA 48 5.520 1.556 -14.922 290 2HB ALA 48 2HB ALA 48 5.827 2.138 -13.285 291 3HB ALA 48 3HB ALA 48 6.166 3.177 -14.670 292 H THR 49 H THR 49 3.789 0.941 -12.700 293 HA THR 49 HA THR 49 1.909 -0.478 -14.472 294 HB THR 49 HB THR 49 2.123 -2.135 -12.495 295 HG1 THR 49 HG1 THR 49 4.246 -1.557 -11.439 296 1HG2 THR 49 1HG2 THR 49 4.202 -1.265 -14.443 297 2HG2 THR 49 2HG2 THR 49 3.351 -2.805 -14.320 298 3HG2 THR 49 3HG2 THR 49 4.673 -2.437 -13.212 299 H ALA 50 H ALA 50 0.269 1.353 -14.140 300 HA ALA 50 HA ALA 50 -1.394 0.754 -11.719 301 1HB ALA 50 1HB ALA 50 0.040 2.978 -11.916 302 2HB ALA 50 2HB ALA 50 -1.604 3.034 -11.280 303 3HB ALA 50 3HB ALA 50 -1.290 3.485 -12.956 304 H THR 51 H THR 51 -2.996 -0.447 -12.789 305 HA THR 51 HA THR 51 -4.418 0.956 -15.026 306 HB THR 51 HB THR 51 -3.221 -0.861 -15.995 307 HG1 THR 51 HG1 THR 51 -5.070 -1.299 -16.877 308 1HG2 THR 51 1HG2 THR 51 -3.141 -3.097 -15.024 309 2HG2 THR 51 2HG2 THR 51 -4.227 -2.600 -13.726 310 3HG2 THR 51 3HG2 THR 51 -2.602 -1.922 -13.825 311 H SER 52 H SER 52 -6.740 0.344 -15.173 312 HA SER 52 HA SER 52 -7.867 -0.296 -12.472 313 1HB SER 52 2HB SER 52 -9.773 1.042 -13.247 314 2HB SER 52 1HB SER 52 -8.281 1.953 -13.457 315 HG SER 52 HG SER 52 -8.730 2.010 -15.501 316 H PHE 53 H PHE 53 -9.644 -1.775 -12.363 317 HA PHE 53 HA PHE 53 -10.325 -3.265 -14.864 318 1HB PHE 53 2HB PHE 53 -9.839 -5.374 -13.726 319 2HB PHE 53 1HB PHE 53 -8.412 -4.339 -13.652 320 HD1 PHE 53 HD1 PHE 53 -11.009 -6.022 -11.742 321 HD2 PHE 53 HD2 PHE 53 -7.918 -3.046 -11.554 322 HE1 PHE 53 HE1 PHE 53 -11.059 -6.126 -9.265 323 HE2 PHE 53 HE2 PHE 53 -7.967 -3.149 -9.078 324 HZ PHE 53 HZ PHE 53 -9.538 -4.689 -7.933 325 H THR 54 H THR 54 -12.483 -3.904 -14.901 326 HA THR 54 HA THR 54 -14.160 -3.133 -12.561 327 HB THR 54 HB THR 54 -14.868 -3.925 -15.404 328 HG1 THR 54 HG1 THR 54 -14.502 -1.925 -15.902 329 1HG2 THR 54 1HG2 THR 54 -16.569 -2.321 -13.507 330 2HG2 THR 54 2HG2 THR 54 -16.611 -4.084 -13.478 331 3HG2 THR 54 3HG2 THR 54 -17.061 -3.216 -14.945 332 H THR 55 H THR 55 -15.859 -4.644 -11.856 333 HA THR 55 HA THR 55 -14.897 -7.416 -11.739 334 HB THR 55 HB THR 55 -17.116 -7.526 -10.354 335 HG1 THR 55 HG1 THR 55 -18.226 -5.762 -10.473 336 1HG2 THR 55 1HG2 THR 55 -14.720 -7.311 -9.528 337 2HG2 THR 55 2HG2 THR 55 -15.952 -6.653 -8.459 338 3HG2 THR 55 3HG2 THR 55 -14.990 -5.570 -9.461 339 H ASP 56 H ASP 56 -16.764 -9.133 -11.957 340 HA ASP 56 HA ASP 56 -17.937 -8.766 -14.676 341 1HB ASP 56 2HB ASP 56 -17.033 -11.049 -12.951 342 2HB ASP 56 1HB ASP 56 -18.220 -11.360 -14.218 343 H ALA 57 H ALA 57 -19.951 -10.694 -14.522 344 HA ALA 57 HA ALA 57 -22.102 -9.234 -13.307 345 1HB ALA 57 1HB ALA 57 -22.350 -10.696 -15.261 346 2HB ALA 57 2HB ALA 57 -23.385 -11.280 -13.959 347 3HB ALA 57 3HB ALA 57 -21.855 -12.091 -14.302 348 H SER 58 H SER 58 -20.051 -11.864 -12.222 349 HA SER 58 HA SER 58 -21.703 -12.293 -9.800 350 1HB SER 58 2HB SER 58 -20.360 -13.981 -11.389 351 2HB SER 58 1HB SER 58 -19.048 -13.585 -10.284 352 HG SER 58 HG SER 58 -21.592 -14.700 -9.704 353 H GLY 59 H GLY 59 -19.823 -9.855 -10.573 354 1HA GLY 59 2HA GLY 59 -18.476 -8.366 -9.362 355 2HA GLY 59 1HA GLY 59 -19.078 -9.161 -7.911 356 H ALA 60 H ALA 60 -17.214 -10.605 -10.558 357 HA ALA 60 HA ALA 60 -14.890 -10.904 -8.709 358 1HB ALA 60 1HB ALA 60 -16.247 -13.125 -10.269 359 2HB ALA 60 2HB ALA 60 -16.399 -12.872 -8.530 360 3HB ALA 60 3HB ALA 60 -14.838 -13.308 -9.226 361 H ALA 61 H ALA 61 -13.076 -10.286 -9.817 362 HA ALA 61 HA ALA 61 -13.047 -10.670 -12.794 363 1HB ALA 61 1HB ALA 61 -12.422 -8.484 -13.041 364 2HB ALA 61 2HB ALA 61 -11.442 -8.501 -11.574 365 3HB ALA 61 3HB ALA 61 -13.191 -8.303 -11.464 366 H SER 62 H SER 62 -10.951 -11.057 -13.706 367 HA SER 62 HA SER 62 -8.688 -11.619 -11.875 368 1HB SER 62 2HB SER 62 -9.588 -13.751 -11.781 369 2HB SER 62 1HB SER 62 -10.386 -13.594 -13.340 370 HG SER 62 HG SER 62 -8.139 -14.812 -12.839 371 H PHE 63 H PHE 63 -6.695 -11.445 -12.999 372 HA PHE 63 HA PHE 63 -6.603 -11.497 -15.920 373 1HB PHE 63 2HB PHE 63 -6.041 -9.029 -16.058 374 2HB PHE 63 1HB PHE 63 -7.718 -9.376 -15.630 375 HD1 PHE 63 HD1 PHE 63 -4.380 -8.818 -14.025 376 HD2 PHE 63 HD2 PHE 63 -8.641 -8.352 -13.733 377 HE1 PHE 63 HE1 PHE 63 -4.092 -7.548 -11.917 378 HE2 PHE 63 HE2 PHE 63 -8.348 -7.080 -11.621 379 HZ PHE 63 HZ PHE 63 -6.076 -6.678 -10.716 380 H SER 64 H SER 64 -4.366 -10.586 -16.651 381 HA SER 64 HA SER 64 -2.324 -11.657 -14.782 382 1HB SER 64 2HB SER 64 -0.928 -11.428 -16.892 383 2HB SER 64 1HB SER 64 -2.319 -12.497 -17.037 384 HG SER 64 HG SER 64 -3.092 -11.192 -18.486 385 H PHE 65 H PHE 65 -1.239 -10.224 -13.507 386 HA PHE 65 HA PHE 65 -0.920 -7.409 -14.459 387 1HB PHE 65 2HB PHE 65 -2.354 -7.470 -12.560 388 2HB PHE 65 1HB PHE 65 -1.346 -8.668 -11.749 389 HD1 PHE 65 HD1 PHE 65 -0.739 -5.367 -13.420 390 HD2 PHE 65 HD2 PHE 65 -0.204 -7.804 -9.929 391 HE1 PHE 65 HE1 PHE 65 0.563 -3.552 -12.356 392 HE2 PHE 65 HE2 PHE 65 1.097 -5.993 -8.862 393 HZ PHE 65 HZ PHE 65 1.488 -3.865 -10.070 394 H VAL 66 H VAL 66 1.190 -6.558 -14.369 395 HA VAL 66 HA VAL 66 3.346 -8.538 -13.892 396 HB VAL 66 HB VAL 66 3.449 -5.700 -14.929 397 1HG1 VAL 66 1HG1 VAL 66 5.351 -8.038 -15.260 398 2HG1 VAL 66 2HG1 VAL 66 5.601 -6.680 -14.162 399 3HG1 VAL 66 3HG1 VAL 66 5.580 -6.412 -15.907 400 1HG2 VAL 66 1HG2 VAL 66 3.278 -8.294 -16.495 401 2HG2 VAL 66 2HG2 VAL 66 3.336 -6.664 -17.166 402 3HG2 VAL 66 3HG2 VAL 66 1.923 -7.192 -16.252 403 H VAL 67 H VAL 67 5.252 -7.852 -12.662 404 HA VAL 67 HA VAL 67 4.609 -5.895 -10.485 405 HB VAL 67 HB VAL 67 5.954 -7.516 -9.050 406 1HG1 VAL 67 1HG1 VAL 67 3.509 -7.452 -8.953 407 2HG1 VAL 67 2HG1 VAL 67 4.064 -9.123 -8.855 408 3HG1 VAL 67 3HG1 VAL 67 3.406 -8.500 -10.367 409 1HG2 VAL 67 1HG2 VAL 67 6.737 -9.490 -9.908 410 2HG2 VAL 67 2HG2 VAL 67 6.693 -8.608 -11.435 411 3HG2 VAL 67 3HG2 VAL 67 5.361 -9.676 -10.995 412 H ARG 68 H ARG 68 6.698 -5.067 -9.443 413 HA ARG 68 HA ARG 68 9.067 -5.227 -11.247 414 1HB ARG 68 2HB ARG 68 7.591 -2.721 -10.385 415 2HB ARG 68 1HB ARG 68 9.159 -2.716 -11.194 416 1HG ARG 68 2HG ARG 68 8.122 -4.020 -13.080 417 2HG ARG 68 1HG ARG 68 6.556 -3.819 -12.294 418 1HD ARG 68 2HD ARG 68 6.414 -1.900 -13.527 419 2HD ARG 68 1HD ARG 68 7.539 -1.231 -12.333 420 HE ARG 68 HE ARG 68 9.398 -1.998 -13.844 421 1HH1 ARG 68 1HH2 ARG 68 7.033 -0.141 -15.051 422 2HH1 ARG 68 2HH2 ARG 68 7.126 -0.679 -16.694 423 1HH2 ARG 68 1HH1 ARG 68 9.163 -3.392 -15.971 424 2HH2 ARG 68 2HH1 ARG 68 8.332 -2.519 -17.215 425 H LYS 69 H LYS 69 10.141 -6.343 -9.529 426 HA LYS 69 HA LYS 69 10.245 -5.791 -6.809 427 1HB LYS 69 2HB LYS 69 11.392 -7.675 -7.636 428 2HB LYS 69 1HB LYS 69 12.260 -6.728 -8.842 429 1HG LYS 69 2HG LYS 69 12.684 -6.160 -5.920 430 2HG LYS 69 1HG LYS 69 13.523 -7.514 -6.678 431 1HD LYS 69 2HD LYS 69 13.719 -5.232 -8.405 432 2HD LYS 69 1HD LYS 69 14.216 -4.754 -6.782 433 1HE LYS 69 2HE LYS 69 15.436 -7.227 -7.072 434 2HE LYS 69 1HE LYS 69 15.582 -6.517 -8.692 435 1HZ LYS 69 1HZ LYS 69 16.049 -4.397 -7.116 436 2HZ LYS 69 2HZ LYS 69 17.272 -5.373 -7.780 437 3HZ LYS 69 3HZ LYS 69 16.740 -5.636 -6.187 438 H SER 70 H SER 70 11.669 -3.879 -9.408 439 HA SER 70 HA SER 70 12.663 -1.954 -7.327 440 1HB SER 70 2HB SER 70 14.590 -1.592 -8.909 441 2HB SER 70 1HB SER 70 14.536 -3.210 -8.219 442 HG SER 70 HG SER 70 14.117 -2.343 -10.818 443 H TYR 71 H TYR 71 12.125 0.186 -7.744 444 HA TYR 71 HA TYR 71 11.630 1.222 -10.396 445 1HB TYR 71 2HB TYR 71 9.282 1.139 -10.492 446 2HB TYR 71 1HB TYR 71 9.660 -0.406 -9.733 447 HD1 TYR 71 HD1 TYR 71 7.928 2.721 -9.394 448 HD2 TYR 71 HD2 TYR 71 9.649 -0.513 -7.152 449 HE1 TYR 71 HE1 TYR 71 6.591 3.382 -7.417 450 HE2 TYR 71 HE2 TYR 71 8.307 0.149 -5.171 451 HH TYR 71 HH TYR 71 6.646 1.458 -4.437 452 H THR 72 H THR 72 10.948 3.520 -10.265 453 HA THR 72 HA THR 72 12.129 4.895 -8.043 454 HB THR 72 HB THR 72 10.093 6.242 -9.730 455 HG1 THR 72 HG1 THR 72 11.699 6.140 -11.476 456 1HG2 THR 72 1HG2 THR 72 11.389 7.814 -8.686 457 2HG2 THR 72 2HG2 THR 72 12.407 7.556 -10.104 458 3HG2 THR 72 3HG2 THR 72 12.785 6.742 -8.584 459 H GLY 73 H GLY 73 10.228 6.899 -7.429 460 1HA GLY 73 2HA GLY 73 7.918 5.431 -6.272 461 2HA GLY 73 1HA GLY 73 8.969 6.322 -5.172 462 H SER 74 H SER 74 6.132 6.806 -5.807 463 HA SER 74 HA SER 74 6.171 9.669 -5.973 464 1HB SER 74 2HB SER 74 6.857 8.934 -8.317 465 2HB SER 74 1HB SER 74 5.237 8.274 -8.495 466 HG SER 74 HG SER 74 5.613 10.518 -9.221 467 H THR 75 H THR 75 4.483 9.789 -4.485 468 HA THR 75 HA THR 75 2.352 8.095 -4.016 469 HB THR 75 HB THR 75 1.204 10.127 -3.187 470 HG1 THR 75 HG1 THR 75 1.464 11.781 -4.453 471 1HG2 THR 75 1HG2 THR 75 2.858 10.772 -1.622 472 2HG2 THR 75 2HG2 THR 75 4.167 10.528 -2.779 473 3HG2 THR 75 3HG2 THR 75 3.325 9.137 -2.094 474 HA PRO 76 HA PRO 76 -0.193 7.958 -7.606 475 1HB PRO 76 2HB PRO 76 -2.674 7.770 -6.450 476 2HB PRO 76 1HB PRO 76 -1.520 6.420 -6.520 477 1HG PRO 76 2HG PRO 76 -2.046 8.336 -4.280 478 2HG PRO 76 1HG PRO 76 -1.868 6.572 -4.228 479 1HD PRO 76 2HD PRO 76 0.158 8.164 -3.539 480 2HD PRO 76 1HD PRO 76 0.451 6.665 -4.451 481 H GLU 77 H GLU 77 -1.585 10.052 -5.043 482 HA GLU 77 HA GLU 77 -2.165 12.086 -7.177 483 1HB GLU 77 2HB GLU 77 -4.027 10.716 -5.885 484 2HB GLU 77 1HB GLU 77 -3.695 11.879 -4.601 485 1HG GLU 77 2HG GLU 77 -4.248 13.736 -6.022 486 2HG GLU 77 1HG GLU 77 -4.304 12.702 -7.449 487 H GLY 78 H GLY 78 0.001 13.015 -6.655 488 1HA GLY 78 2HA GLY 78 -0.163 15.140 -4.733 489 2HA GLY 78 1HA GLY 78 0.839 13.840 -4.088 490 H THR 79 H THR 79 2.930 13.639 -4.835 491 HA THR 79 HA THR 79 3.750 15.024 -7.324 492 HB THR 79 HB THR 79 3.764 16.332 -4.885 493 HG1 THR 79 HG1 THR 79 4.038 17.500 -6.667 494 1HG2 THR 79 1HG2 THR 79 6.180 16.554 -4.265 495 2HG2 THR 79 2HG2 THR 79 6.547 15.220 -5.356 496 3HG2 THR 79 3HG2 THR 79 5.530 14.947 -3.943 497 HA PRO 80 HA PRO 80 6.832 11.883 -7.463 498 1HB PRO 80 2HB PRO 80 9.225 13.141 -7.905 499 2HB PRO 80 1HB PRO 80 7.964 12.990 -9.146 500 1HG PRO 80 2HG PRO 80 8.653 15.318 -7.423 501 2HG PRO 80 1HG PRO 80 8.151 15.278 -9.121 502 1HD PRO 80 2HD PRO 80 6.475 15.934 -7.071 503 2HD PRO 80 1HD PRO 80 5.919 15.222 -8.597 504 H VAL 81 H VAL 81 8.348 10.745 -6.119 505 HA VAL 81 HA VAL 81 9.029 12.149 -3.563 506 HB VAL 81 HB VAL 81 8.386 9.249 -4.112 507 1HG1 VAL 81 1HG1 VAL 81 9.912 9.643 -2.178 508 2HG1 VAL 81 2HG1 VAL 81 8.341 9.012 -1.684 509 3HG1 VAL 81 3HG1 VAL 81 8.704 10.727 -1.487 510 1HG2 VAL 81 1HG2 VAL 81 6.399 10.596 -4.383 511 2HG2 VAL 81 2HG2 VAL 81 6.765 11.515 -2.925 512 3HG2 VAL 81 3HG2 VAL 81 6.302 9.819 -2.805 513 H GLY 82 H GLY 82 10.205 8.932 -4.136 514 1HA GLY 82 2HA GLY 82 12.818 9.903 -5.117 515 2HA GLY 82 1HA GLY 82 12.803 9.119 -3.539 516 H SER 83 H SER 83 14.249 7.511 -4.633 517 HA SER 83 HA SER 83 13.001 5.751 -6.649 518 1HB SER 83 2HB SER 83 15.194 4.849 -6.816 519 2HB SER 83 1HB SER 83 15.443 6.563 -6.497 520 HG SER 83 HG SER 83 16.270 4.481 -5.077 521 H VAL 84 H VAL 84 12.974 3.336 -6.232 522 HA VAL 84 HA VAL 84 12.755 2.612 -3.349 523 HB VAL 84 HB VAL 84 10.638 2.503 -5.496 524 1HG1 VAL 84 1HG1 VAL 84 10.540 0.300 -4.634 525 2HG1 VAL 84 2HG1 VAL 84 9.336 1.188 -3.701 526 3HG1 VAL 84 3HG1 VAL 84 10.913 0.835 -2.995 527 1HG2 VAL 84 1HG2 VAL 84 10.765 4.496 -4.031 528 2HG2 VAL 84 2HG2 VAL 84 10.657 3.454 -2.611 529 3HG2 VAL 84 3HG2 VAL 84 9.293 3.574 -3.723 530 H ASP 85 H ASP 85 12.808 0.268 -3.021 531 HA ASP 85 HA ASP 85 13.446 -1.445 -5.356 532 1HB ASP 85 2HB ASP 85 15.370 -1.117 -3.040 533 2HB ASP 85 1HB ASP 85 15.652 -1.974 -4.556 534 H CYS 86 H CYS 86 11.570 -2.653 -4.680 535 HA CYS 86 HA CYS 86 11.330 -3.709 -1.973 536 1HB CYS 86 2HB CYS 86 9.889 -4.125 -4.597 537 2HB CYS 86 1HB CYS 86 9.397 -4.917 -3.101 538 H ALA 87 H ALA 87 13.717 -4.500 -3.854 539 HA ALA 87 HA ALA 87 13.516 -7.212 -4.638 540 1HB ALA 87 1HB ALA 87 15.961 -6.001 -3.348 541 2HB ALA 87 2HB ALA 87 15.383 -5.411 -4.907 542 3HB ALA 87 3HB ALA 87 15.880 -7.094 -4.729 543 H THR 88 H THR 88 14.646 -5.850 -1.561 544 HA THR 88 HA THR 88 13.912 -8.421 -0.209 545 HB THR 88 HB THR 88 16.320 -8.311 -0.467 546 HG1 THR 88 HG1 THR 88 16.442 -8.886 1.529 547 1HG2 THR 88 1HG2 THR 88 16.077 -5.513 0.670 548 2HG2 THR 88 2HG2 THR 88 16.478 -5.920 -1.000 549 3HG2 THR 88 3HG2 THR 88 17.594 -6.334 0.301 550 H ALA 89 H ALA 89 13.016 -5.343 -0.560 551 HA ALA 89 HA ALA 89 12.836 -4.460 2.233 552 1HB ALA 89 1HB ALA 89 12.173 -2.449 1.256 553 2HB ALA 89 2HB ALA 89 11.354 -3.258 -0.079 554 3HB ALA 89 3HB ALA 89 13.116 -3.157 -0.055 555 H ALA 90 H ALA 90 10.412 -3.428 2.525 556 HA ALA 90 HA ALA 90 8.616 -5.807 2.550 557 1HB ALA 90 1HB ALA 90 8.032 -4.988 4.579 558 2HB ALA 90 2HB ALA 90 7.714 -3.388 3.909 559 3HB ALA 90 3HB ALA 90 9.351 -3.834 4.390 560 H CYS 91 H CYS 91 7.794 -5.711 0.374 561 HA CYS 91 HA CYS 91 6.354 -3.201 -0.404 562 1HB CYS 91 2HB CYS 91 8.118 -4.911 -1.714 563 2HB CYS 91 1HB CYS 91 6.544 -5.394 -2.344 564 H ASN 92 H ASN 92 4.123 -3.321 -0.960 565 HA ASN 92 HA ASN 92 2.747 -5.953 -0.663 566 1HB ASN 92 2HB ASN 92 1.171 -4.855 0.961 567 2HB ASN 92 1HB ASN 92 2.820 -4.983 1.571 568 1HD2 ASN 92 1HD2 ASN 92 3.748 -3.057 2.309 569 2HD2 ASN 92 2HD2 ASN 92 3.168 -1.504 1.948 570 H LEU 93 H LEU 93 1.088 -6.107 -2.132 571 HA LEU 93 HA LEU 93 0.477 -3.784 -3.837 572 1HB LEU 93 2HB LEU 93 0.957 -5.968 -4.817 573 2HB LEU 93 1HB LEU 93 -0.336 -6.701 -3.866 574 HG LEU 93 HG LEU 93 -1.982 -5.232 -5.011 575 1HD1 LEU 93 1HD1 LEU 93 0.346 -4.472 -6.795 576 2HD1 LEU 93 2HD1 LEU 93 -0.294 -3.432 -5.523 577 3HD1 LEU 93 3HD1 LEU 93 -1.309 -3.875 -6.895 578 1HD2 LEU 93 1HD2 LEU 93 -0.406 -7.364 -6.211 579 2HD2 LEU 93 2HD2 LEU 93 -1.037 -6.274 -7.446 580 3HD2 LEU 93 3HD2 LEU 93 -2.142 -7.068 -6.323 581 H GLY 94 H GLY 94 -1.610 -2.841 -3.997 582 1HA GLY 94 2HA GLY 94 -3.746 -3.917 -2.250 583 2HA GLY 94 1HA GLY 94 -3.212 -2.269 -1.941 584 H ALA 95 H ALA 95 -5.861 -3.097 -2.798 585 HA ALA 95 HA ALA 95 -5.990 -1.582 -5.384 586 1HB ALA 95 1HB ALA 95 -7.391 -4.139 -4.553 587 2HB ALA 95 2HB ALA 95 -6.212 -3.955 -5.851 588 3HB ALA 95 3HB ALA 95 -7.810 -3.224 -6.001 589 H GLY 96 H GLY 96 -8.554 -1.102 -5.727 590 1HA GLY 96 2HA GLY 96 -10.633 -0.756 -4.266 591 2HA GLY 96 1HA GLY 96 -9.524 -0.021 -3.109 592 H ASN 97 H ASN 97 -11.788 1.290 -4.368 593 HA ASN 97 HA ASN 97 -10.471 3.273 -6.156 594 1HB ASN 97 2HB ASN 97 -12.794 3.783 -6.821 595 2HB ASN 97 1HB ASN 97 -12.469 2.056 -6.971 596 1HD2 ASN 97 1HD2 ASN 97 -15.048 2.249 -6.762 597 2HD2 ASN 97 2HD2 ASN 97 -15.650 2.082 -5.183 598 H SER 98 H SER 98 -12.270 5.385 -5.755 599 HA SER 98 HA SER 98 -11.225 6.630 -3.364 600 1HB SER 98 2HB SER 98 -13.326 7.272 -5.426 601 2HB SER 98 1HB SER 98 -13.031 8.353 -4.068 602 HG SER 98 HG SER 98 -11.050 8.774 -4.819 603 H GLY 99 H GLY 99 -13.963 4.597 -3.926 604 1HA GLY 99 2HA GLY 99 -15.131 5.442 -1.310 605 2HA GLY 99 1HA GLY 99 -16.076 4.726 -2.615 606 H LEU 100 H LEU 100 -15.767 2.450 -3.071 607 HA LEU 100 HA LEU 100 -15.483 0.808 -0.726 608 1HB LEU 100 2HB LEU 100 -16.781 0.486 -2.947 609 2HB LEU 100 1HB LEU 100 -15.253 -0.110 -3.593 610 HG LEU 100 HG LEU 100 -16.308 -1.205 -1.004 611 1HD1 LEU 100 1HD1 LEU 100 -17.324 -1.706 -3.772 612 2HD1 LEU 100 2HD1 LEU 100 -18.196 -1.715 -2.240 613 3HD1 LEU 100 3HD1 LEU 100 -17.174 -3.081 -2.680 614 1HD2 LEU 100 1HD2 LEU 100 -15.023 -2.940 -3.001 615 2HD2 LEU 100 2HD2 LEU 100 -14.650 -2.731 -1.288 616 3HD2 LEU 100 3HD2 LEU 100 -14.005 -1.598 -2.476 617 H ASP 101 H ASP 101 -13.707 -0.382 0.006 618 HA ASP 101 HA ASP 101 -11.160 -0.093 -1.557 619 1HB ASP 101 2HB ASP 101 -10.094 -0.099 0.731 620 2HB ASP 101 1HB ASP 101 -11.148 1.284 0.441 621 H LEU 102 H LEU 102 -10.538 -2.064 -2.318 622 HA LEU 102 HA LEU 102 -11.629 -4.564 -1.345 623 1HB LEU 102 2HB LEU 102 -9.243 -3.942 -3.117 624 2HB LEU 102 1HB LEU 102 -10.075 -5.494 -3.018 625 HG LEU 102 HG LEU 102 -11.638 -3.011 -3.662 626 1HD1 LEU 102 1HD1 LEU 102 -10.020 -2.802 -5.346 627 2HD1 LEU 102 2HD1 LEU 102 -11.246 -3.805 -6.120 628 3HD1 LEU 102 3HD1 LEU 102 -9.783 -4.545 -5.469 629 1HD2 LEU 102 1HD2 LEU 102 -13.127 -4.587 -4.708 630 2HD2 LEU 102 2HD2 LEU 102 -12.686 -5.268 -3.142 631 3HD2 LEU 102 3HD2 LEU 102 -11.925 -5.874 -4.614 632 H GLY 103 H GLY 103 -8.834 -5.819 -1.660 633 1HA GLY 103 2HA GLY 103 -7.897 -5.234 1.121 634 2HA GLY 103 1HA GLY 103 -7.875 -6.854 0.422 635 H HIS 104 H HIS 104 -5.500 -6.305 1.251 636 HA HIS 104 HA HIS 104 -3.970 -5.375 -1.149 637 1HB HIS 104 2HB HIS 104 -2.370 -4.384 0.524 638 2HB HIS 104 1HB HIS 104 -3.969 -3.637 0.554 639 HD1 HIS 104 HD1 HIS 104 -1.736 -5.937 2.515 640 HD2 HIS 104 HD2 HIS 104 -5.497 -4.178 2.887 641 HE1 HIS 104 HE1 HIS 104 -2.484 -6.340 4.902 642 H VAL 105 H VAL 105 -2.636 -7.000 -1.855 643 HA VAL 105 HA VAL 105 -2.109 -9.322 -0.100 644 HB VAL 105 HB VAL 105 -1.723 -8.593 -3.006 645 1HG1 VAL 105 1HG1 VAL 105 0.288 -9.856 -2.234 646 2HG1 VAL 105 2HG1 VAL 105 -0.677 -10.761 -3.381 647 3HG1 VAL 105 3HG1 VAL 105 -0.769 -11.144 -1.668 648 1HG2 VAL 105 1HG2 VAL 105 -3.514 -9.965 -3.362 649 2HG2 VAL 105 2HG2 VAL 105 -3.843 -9.650 -1.658 650 3HG2 VAL 105 3HG2 VAL 105 -2.997 -11.122 -2.135 651 H ALA 106 H ALA 106 0.231 -10.172 -0.132 652 HA ALA 106 HA ALA 106 2.138 -7.868 0.113 653 1HB ALA 106 1HB ALA 106 1.606 -10.357 1.701 654 2HB ALA 106 2HB ALA 106 1.835 -8.704 2.270 655 3HB ALA 106 3HB ALA 106 3.221 -9.650 1.730 656 H LEU 107 H LEU 107 4.117 -8.084 -0.952 657 HA LEU 107 HA LEU 107 4.506 -10.615 -2.529 658 1HB LEU 107 2HB LEU 107 5.650 -7.888 -3.174 659 2HB LEU 107 1HB LEU 107 5.356 -9.238 -4.271 660 HG LEU 107 HG LEU 107 3.205 -7.618 -2.873 661 1HD1 LEU 107 1HD1 LEU 107 2.990 -6.363 -4.777 662 2HD1 LEU 107 2HD1 LEU 107 3.461 -7.697 -5.831 663 3HD1 LEU 107 3HD1 LEU 107 4.694 -6.776 -4.971 664 1HD2 LEU 107 1HD2 LEU 107 1.652 -9.065 -3.750 665 2HD2 LEU 107 2HD2 LEU 107 2.995 -10.201 -3.632 666 3HD2 LEU 107 3HD2 LEU 107 2.634 -9.419 -5.171 667 H THR 108 H THR 108 6.893 -11.048 -2.989 668 HA THR 108 HA THR 108 8.849 -9.866 -1.132 669 HB THR 108 HB THR 108 8.312 -12.809 -0.919 670 HG1 THR 108 HG1 THR 108 6.932 -12.330 0.810 671 1HG2 THR 108 1HG2 THR 108 9.236 -12.367 1.382 672 2HG2 THR 108 2HG2 THR 108 9.540 -10.707 0.871 673 3HG2 THR 108 3HG2 THR 108 10.370 -12.042 0.071 674 H PHE 109 H PHE 109 10.460 -9.569 -2.650 675 HA PHE 109 HA PHE 109 10.901 -11.573 -4.777 676 1HB PHE 109 2HB PHE 109 12.139 -8.904 -4.047 677 2HB PHE 109 1HB PHE 109 12.596 -9.839 -5.474 678 HD1 PHE 109 HD1 PHE 109 10.869 -10.350 -7.234 679 HD2 PHE 109 HD2 PHE 109 10.116 -7.626 -3.999 680 HE1 PHE 109 HE1 PHE 109 8.937 -9.411 -8.472 681 HE2 PHE 109 HE2 PHE 109 8.184 -6.686 -5.237 682 HZ PHE 109 HZ PHE 109 7.590 -7.585 -7.476 683 H GLY 110 H GLY 110 11.584 -13.269 -3.113 684 1HA GLY 110 2HA GLY 110 13.672 -14.524 -2.785 685 2HA GLY 110 1HA GLY 110 14.504 -12.981 -2.563 686 2H2' ROM 111 2H2' ROM 111 -9.336 5.842 -6.269 687 2H3' ROM 111 2H3' ROM 111 -8.146 6.111 -9.208 688 H'1 ROM 111 H'1 ROM 111 -4.159 5.167 -9.972 689 3H18 ROM 111 3H18 ROM 111 -4.015 0.327 -0.167 690 2H18 ROM 111 2H18 ROM 111 -5.149 1.377 0.536 691 2H23 ROM 111 2H23 ROM 111 -5.310 7.311 -1.660 692 H1' ROM 111 H1' ROM 111 -7.827 7.896 -6.756 693 H2' ROM 111 H2' ROM 111 -10.767 7.544 -7.314 694 H3' ROM 111 H3' ROM 111 -10.113 7.107 -9.597 695 H4' ROM 111 H4' ROM 111 -10.453 9.430 -9.073 696 1H6B ROM 111 1H6B ROM 111 -9.752 11.603 -8.618 697 3H6B ROM 111 3H6B ROM 111 -8.472 11.903 -7.444 698 2H6B ROM 111 2H6B ROM 111 -8.076 11.705 -9.152 699 1H6A ROM 111 1H6A ROM 111 -6.949 8.563 -8.672 700 3H6A ROM 111 3H6A ROM 111 -6.581 10.260 -8.875 701 2H6A ROM 111 2H6A ROM 111 -6.631 9.551 -7.266 702 1H4B ROM 111 1H4B ROM 111 -10.030 10.782 -11.960 703 3H4B ROM 111 3H4B ROM 111 -10.408 11.058 -10.251 704 2H4B ROM 111 2H4B ROM 111 -8.821 11.521 -10.893 705 1H4A ROM 111 1H4A ROM 111 -7.580 9.303 -12.015 706 3H4A ROM 111 3H4A ROM 111 -7.203 10.294 -10.599 707 2H4A ROM 111 2H4A ROM 111 -7.275 8.535 -10.454 708 H'8 ROM 111 H'8 ROM 111 0.052 5.013 -7.998 709 H'6 ROM 111 H'6 ROM 111 0.331 7.911 -11.120 710 1H3A ROM 111 1H3A ROM 111 -4.066 9.317 -13.154 711 2H3A ROM 111 2H3A ROM 111 -4.488 7.724 -14.002 712 1H7A ROM 111 1H7A ROM 111 2.903 8.148 -8.751 713 3H7A ROM 111 3H7A ROM 111 1.212 8.568 -9.023 714 2H7A ROM 111 2H7A ROM 111 1.677 7.685 -7.573 715 H3 ROM 111 H3 ROM 111 -4.585 6.442 -6.405 716 H6 ROM 111 H6 ROM 111 -7.600 3.394 -3.955 717 H5 ROM 111 H5 ROM 111 -5.672 2.456 -5.207 718 H12 ROM 111 H12 ROM 111 -5.041 8.821 -5.138 719 H8 ROM 111 H8 ROM 111 -9.211 5.773 -4.026 720 H13 ROM 111 H13 ROM 111 -4.097 2.982 -7.220 721 H10 ROM 111 H10 ROM 111 -8.426 9.005 -2.602 722 H11 ROM 111 H11 ROM 111 -6.171 10.162 -3.257 723 2H14 ROM 111 2H14 ROM 111 -1.970 2.729 -6.090 724 1H14 ROM 111 1H14 ROM 111 -2.328 4.091 -5.021 725 2H17 ROM 111 2H17 ROM 111 -4.563 1.028 -2.947 726 1H17 ROM 111 1H17 ROM 111 -2.972 0.764 -2.237 727 H18 ROM 111 H18 ROM 111 -3.363 2.574 -0.623 728 H20 ROM 111 H20 ROM 111 -6.904 1.974 -0.949 729 H24 ROM 111 H24 ROM 111 -3.784 4.736 -1.877 730 4H18 ROM 111 4H18 ROM 111 -5.524 0.564 -0.907 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -16.799 -6.394 5.628 2 2H ALA 1 2H ALA 1 -15.606 -7.598 5.727 3 3H ALA 1 3H ALA 1 -16.840 -7.719 4.567 4 HA ALA 1 HA ALA 1 -15.931 -5.480 3.692 5 1HB ALA 1 1HB ALA 1 -13.668 -6.624 5.359 6 2HB ALA 1 2HB ALA 1 -14.555 -5.139 5.705 7 3HB ALA 1 3HB ALA 1 -13.526 -5.240 4.276 8 HA PRO 2 HA PRO 2 -14.789 -8.270 0.506 9 1HB PRO 2 2HB PRO 2 -13.391 -6.584 -1.138 10 2HB PRO 2 1HB PRO 2 -15.159 -6.539 -0.981 11 1HG PRO 2 2HG PRO 2 -13.104 -4.776 0.260 12 2HG PRO 2 1HG PRO 2 -14.701 -4.367 -0.388 13 1HD PRO 2 2HD PRO 2 -14.181 -4.636 2.282 14 2HD PRO 2 1HD PRO 2 -15.777 -4.927 1.556 15 H ALA 3 H ALA 3 -12.473 -8.417 -0.976 16 HA ALA 3 HA ALA 3 -10.119 -8.205 0.779 17 1HB ALA 3 1HB ALA 3 -10.658 -10.960 -0.184 18 2HB ALA 3 2HB ALA 3 -11.718 -10.374 1.099 19 3HB ALA 3 3HB ALA 3 -9.972 -10.422 1.350 20 H PHE 4 H PHE 4 -8.231 -9.481 -0.420 21 HA PHE 4 HA PHE 4 -8.502 -9.436 -3.378 22 1HB PHE 4 2HB PHE 4 -7.995 -7.126 -2.745 23 2HB PHE 4 1HB PHE 4 -6.659 -7.670 -1.730 24 HD1 PHE 4 HD1 PHE 4 -4.508 -7.671 -2.625 25 HD2 PHE 4 HD2 PHE 4 -7.881 -7.953 -5.268 26 HE1 PHE 4 HE1 PHE 4 -2.984 -7.575 -4.577 27 HE2 PHE 4 HE2 PHE 4 -6.357 -7.857 -7.221 28 HZ PHE 4 HZ PHE 4 -3.907 -7.669 -6.877 29 H SER 5 H SER 5 -7.209 -11.108 -4.226 30 HA SER 5 HA SER 5 -4.882 -12.011 -2.568 31 1HB SER 5 2HB SER 5 -5.675 -14.276 -2.619 32 2HB SER 5 1HB SER 5 -7.032 -13.279 -2.102 33 HG SER 5 HG SER 5 -6.504 -14.201 -4.743 34 H VAL 6 H VAL 6 -3.328 -13.281 -3.769 35 HA VAL 6 HA VAL 6 -3.546 -13.102 -6.754 36 HB VAL 6 HB VAL 6 -2.165 -11.305 -5.677 37 1HG1 VAL 6 1HG1 VAL 6 -0.704 -13.734 -4.630 38 2HG1 VAL 6 2HG1 VAL 6 -1.334 -12.361 -3.718 39 3HG1 VAL 6 3HG1 VAL 6 0.080 -12.159 -4.753 40 1HG2 VAL 6 1HG2 VAL 6 -1.132 -11.459 -7.681 41 2HG2 VAL 6 2HG2 VAL 6 -1.301 -13.213 -7.701 42 3HG2 VAL 6 3HG2 VAL 6 0.075 -12.469 -6.887 43 H SER 7 H SER 7 -2.240 -14.811 -7.859 44 HA SER 7 HA SER 7 -2.295 -17.340 -6.473 45 1HB SER 7 2HB SER 7 -1.705 -16.273 -9.115 46 2HB SER 7 1HB SER 7 -0.605 -17.582 -8.694 47 HG SER 7 HG SER 7 -2.760 -18.098 -9.680 48 HA PRO 8 HA PRO 8 2.346 -17.005 -5.961 49 1HB PRO 8 2HB PRO 8 3.831 -15.176 -7.313 50 2HB PRO 8 1HB PRO 8 3.321 -16.713 -8.041 51 1HG PRO 8 2HG PRO 8 2.336 -13.989 -8.540 52 2HG PRO 8 1HG PRO 8 2.290 -15.414 -9.583 53 1HD PRO 8 2HD PRO 8 0.158 -14.341 -8.029 54 2HD PRO 8 1HD PRO 8 0.171 -15.838 -8.971 55 H ALA 9 H ALA 9 4.077 -15.433 -4.902 56 HA ALA 9 HA ALA 9 3.345 -12.746 -4.217 57 1HB ALA 9 1HB ALA 9 2.833 -14.606 -1.928 58 2HB ALA 9 2HB ALA 9 1.582 -14.423 -3.156 59 3HB ALA 9 3HB ALA 9 2.140 -13.017 -2.249 60 H SER 10 H SER 10 5.699 -14.513 -4.777 61 HA SER 10 HA SER 10 7.604 -13.311 -3.004 62 1HB SER 10 2HB SER 10 6.506 -14.818 -1.392 63 2HB SER 10 1HB SER 10 6.830 -16.192 -2.443 64 HG SER 10 HG SER 10 8.358 -15.591 -0.608 65 H GLY 11 H GLY 11 9.797 -13.976 -3.565 66 1HA GLY 11 2HA GLY 11 11.406 -14.608 -5.160 67 2HA GLY 11 1HA GLY 11 10.538 -16.143 -5.185 68 H LEU 12 H LEU 12 9.648 -12.861 -6.246 69 HA LEU 12 HA LEU 12 8.504 -13.964 -8.727 70 1HB LEU 12 2HB LEU 12 8.669 -11.137 -7.665 71 2HB LEU 12 1HB LEU 12 7.592 -11.721 -8.935 72 HG LEU 12 HG LEU 12 7.590 -12.789 -6.105 73 1HD1 LEU 12 1HD1 LEU 12 5.492 -11.000 -7.307 74 2HD1 LEU 12 2HD1 LEU 12 6.904 -10.314 -6.503 75 3HD1 LEU 12 3HD1 LEU 12 5.799 -11.356 -5.609 76 1HD2 LEU 12 1HD2 LEU 12 6.186 -13.412 -8.633 77 2HD2 LEU 12 2HD2 LEU 12 5.148 -13.292 -7.212 78 3HD2 LEU 12 3HD2 LEU 12 6.487 -14.438 -7.231 79 H SER 13 H SER 13 8.987 -11.465 -10.166 80 HA SER 13 HA SER 13 11.850 -11.057 -10.472 81 1HB SER 13 2HB SER 13 11.936 -13.178 -11.458 82 2HB SER 13 1HB SER 13 10.331 -13.022 -12.166 83 HG SER 13 HG SER 13 11.429 -12.475 -13.881 84 H ASP 14 H ASP 14 12.275 -9.355 -11.972 85 HA ASP 14 HA ASP 14 10.188 -7.466 -12.421 86 1HB ASP 14 2HB ASP 14 11.962 -6.476 -13.970 87 2HB ASP 14 1HB ASP 14 12.486 -6.789 -12.315 88 H GLY 15 H GLY 15 8.695 -7.321 -14.051 89 1HA GLY 15 2HA GLY 15 7.880 -7.535 -16.292 90 2HA GLY 15 1HA GLY 15 9.214 -8.636 -16.638 91 H GLN 16 H GLN 16 8.636 -10.145 -14.116 92 HA GLN 16 HA GLN 16 7.067 -12.246 -15.161 93 1HB GLN 16 2HB GLN 16 8.664 -12.241 -13.204 94 2HB GLN 16 1HB GLN 16 7.399 -11.458 -12.257 95 1HG GLN 16 2HG GLN 16 6.095 -13.611 -13.450 96 2HG GLN 16 1HG GLN 16 7.670 -14.263 -13.006 97 1HE2 GLN 16 1HE2 GLN 16 4.641 -13.995 -11.800 98 2HE2 GLN 16 2HE2 GLN 16 4.989 -13.881 -10.149 99 H SER 17 H SER 17 4.866 -12.638 -15.198 100 HA SER 17 HA SER 17 3.095 -10.487 -14.114 101 1HB SER 17 2HB SER 17 1.522 -11.435 -15.833 102 2HB SER 17 1HB SER 17 3.019 -10.814 -16.520 103 HG SER 17 HG SER 17 2.193 -13.477 -16.093 104 H VAL 18 H VAL 18 1.454 -11.063 -12.689 105 HA VAL 18 HA VAL 18 1.343 -13.937 -11.846 106 HB VAL 18 HB VAL 18 0.774 -12.973 -9.627 107 1HG1 VAL 18 1HG1 VAL 18 3.152 -13.368 -10.305 108 2HG1 VAL 18 2HG1 VAL 18 2.979 -12.052 -9.143 109 3HG1 VAL 18 3HG1 VAL 18 3.237 -11.692 -10.850 110 1HG2 VAL 18 1HG2 VAL 18 1.375 -10.284 -10.880 111 2HG2 VAL 18 2HG2 VAL 18 0.731 -10.607 -9.271 112 3HG2 VAL 18 3HG2 VAL 18 -0.271 -10.891 -10.695 113 H SER 19 H SER 19 -0.818 -14.671 -11.108 114 HA SER 19 HA SER 19 -2.998 -13.413 -12.694 115 1HB SER 19 2HB SER 19 -2.377 -16.065 -11.472 116 2HB SER 19 1HB SER 19 -4.074 -15.653 -11.693 117 HG SER 19 HG SER 19 -2.030 -15.631 -13.674 118 H VAL 20 H VAL 20 -3.748 -11.669 -11.437 119 HA VAL 20 HA VAL 20 -4.172 -12.005 -8.542 120 HB VAL 20 HB VAL 20 -4.749 -9.769 -10.502 121 1HG1 VAL 20 1HG1 VAL 20 -4.808 -8.396 -8.370 122 2HG1 VAL 20 2HG1 VAL 20 -4.863 -9.918 -7.478 123 3HG1 VAL 20 3HG1 VAL 20 -6.173 -9.494 -8.581 124 1HG2 VAL 20 1HG2 VAL 20 -2.667 -8.878 -9.915 125 2HG2 VAL 20 2HG2 VAL 20 -2.320 -10.607 -9.957 126 3HG2 VAL 20 3HG2 VAL 20 -2.587 -9.798 -8.413 127 H SER 21 H SER 21 -6.338 -11.328 -7.652 128 HA SER 21 HA SER 21 -8.710 -11.624 -9.321 129 1HB SER 21 2HB SER 21 -9.209 -13.828 -8.888 130 2HB SER 21 1HB SER 21 -7.459 -13.950 -8.721 131 HG SER 21 HG SER 21 -8.514 -14.830 -6.911 132 H VAL 22 H VAL 22 -9.854 -9.998 -8.324 133 HA VAL 22 HA VAL 22 -9.721 -9.705 -5.380 134 HB VAL 22 HB VAL 22 -11.161 -7.997 -7.417 135 1HG1 VAL 22 1HG1 VAL 22 -11.711 -7.309 -5.224 136 2HG1 VAL 22 2HG1 VAL 22 -10.391 -6.234 -5.684 137 3HG1 VAL 22 3HG1 VAL 22 -10.079 -7.612 -4.627 138 1HG2 VAL 22 1HG2 VAL 22 -9.153 -7.578 -8.368 139 2HG2 VAL 22 2HG2 VAL 22 -8.299 -8.488 -7.121 140 3HG2 VAL 22 3HG2 VAL 22 -8.702 -6.791 -6.855 141 H SER 23 H SER 23 -11.795 -9.437 -4.191 142 HA SER 23 HA SER 23 -14.274 -10.367 -5.479 143 1HB SER 23 2HB SER 23 -14.359 -12.299 -3.781 144 2HB SER 23 1HB SER 23 -13.249 -12.488 -5.135 145 HG SER 23 HG SER 23 -12.747 -12.037 -2.430 146 H GLY 24 H GLY 24 -16.112 -9.895 -4.166 147 1HA GLY 24 2HA GLY 24 -17.013 -9.417 -1.889 148 2HA GLY 24 1HA GLY 24 -15.507 -8.560 -1.559 149 H ALA 25 H ALA 25 -15.317 -7.175 -4.062 150 HA ALA 25 HA ALA 25 -16.840 -4.828 -3.521 151 1HB ALA 25 1HB ALA 25 -14.792 -5.690 -5.210 152 2HB ALA 25 2HB ALA 25 -15.454 -4.057 -5.140 153 3HB ALA 25 3HB ALA 25 -16.079 -5.215 -6.313 154 H ALA 26 H ALA 26 -17.756 -4.466 -6.407 155 HA ALA 26 HA ALA 26 -19.959 -6.404 -6.685 156 1HB ALA 26 1HB ALA 26 -20.442 -3.478 -6.069 157 2HB ALA 26 2HB ALA 26 -20.674 -4.805 -4.925 158 3HB ALA 26 3HB ALA 26 -21.687 -4.694 -6.366 159 H ALA 27 H ALA 27 -20.644 -6.546 -8.763 160 HA ALA 27 HA ALA 27 -19.237 -5.518 -10.936 161 1HB ALA 27 1HB ALA 27 -20.918 -6.545 -12.175 162 2HB ALA 27 2HB ALA 27 -22.195 -5.968 -11.105 163 3HB ALA 27 3HB ALA 27 -21.162 -7.306 -10.603 164 H GLY 28 H GLY 28 -19.445 -3.683 -12.213 165 1HA GLY 28 2HA GLY 28 -20.627 -1.710 -13.005 166 2HA GLY 28 1HA GLY 28 -21.529 -1.702 -11.490 167 H GLU 29 H GLU 29 -18.214 -2.362 -11.061 168 HA GLU 29 HA GLU 29 -17.602 0.525 -10.566 169 1HB GLU 29 2HB GLU 29 -17.411 -1.823 -8.665 170 2HB GLU 29 1HB GLU 29 -16.616 -0.277 -8.363 171 1HG GLU 29 2HG GLU 29 -18.628 0.859 -8.079 172 2HG GLU 29 1HG GLU 29 -19.536 -0.302 -9.049 173 H THR 30 H THR 30 -15.403 1.036 -10.858 174 HA THR 30 HA THR 30 -13.764 -1.073 -12.164 175 HB THR 30 HB THR 30 -13.098 1.852 -11.875 176 HG1 THR 30 HG1 THR 30 -15.124 1.969 -12.649 177 1HG2 THR 30 1HG2 THR 30 -11.421 1.192 -13.219 178 2HG2 THR 30 2HG2 THR 30 -12.625 0.859 -14.464 179 3HG2 THR 30 3HG2 THR 30 -12.116 -0.422 -13.365 180 H TYR 31 H TYR 31 -11.305 -0.827 -11.635 181 HA TYR 31 HA TYR 31 -10.691 0.016 -8.875 182 1HB TYR 31 2HB TYR 31 -10.799 -2.866 -9.805 183 2HB TYR 31 1HB TYR 31 -9.945 -2.364 -8.344 184 HD1 TYR 31 HD1 TYR 31 -12.982 -3.625 -9.501 185 HD2 TYR 31 HD2 TYR 31 -11.413 -0.638 -6.840 186 HE1 TYR 31 HE1 TYR 31 -15.122 -3.616 -8.245 187 HE2 TYR 31 HE2 TYR 31 -13.550 -0.631 -5.585 188 HH TYR 31 HH TYR 31 -16.273 -1.528 -6.593 189 H TYR 32 H TYR 32 -8.687 0.924 -9.052 190 HA TYR 32 HA TYR 32 -6.912 0.120 -11.295 191 1HB TYR 32 2HB TYR 32 -6.883 2.367 -9.252 192 2HB TYR 32 1HB TYR 32 -5.692 2.188 -10.539 193 HD1 TYR 32 HD1 TYR 32 -9.408 2.329 -10.030 194 HD2 TYR 32 HD2 TYR 32 -6.084 3.213 -12.605 195 HE1 TYR 32 HE1 TYR 32 -10.938 3.484 -11.605 196 HE2 TYR 32 HE2 TYR 32 -7.614 4.367 -14.180 197 HH TYR 32 HH TYR 32 -11.097 4.250 -13.781 198 H ILE 33 H ILE 33 -5.490 -1.523 -10.826 199 HA ILE 33 HA ILE 33 -4.601 -1.942 -8.022 200 HB ILE 33 HB ILE 33 -5.437 -3.831 -9.344 201 1HG1 ILE 33 2HG1 ILE 33 -2.627 -4.604 -9.456 202 2HG1 ILE 33 1HG1 ILE 33 -2.999 -3.729 -7.970 203 1HG2 ILE 33 1HG2 ILE 33 -4.029 -2.527 -11.428 204 2HG2 ILE 33 2HG2 ILE 33 -4.977 -4.010 -11.541 205 3HG2 ILE 33 3HG2 ILE 33 -3.248 -4.092 -11.204 206 1HD1 ILE 33 1HD1 ILE 33 -4.100 -6.332 -8.961 207 2HD1 ILE 33 2HD1 ILE 33 -5.122 -5.310 -7.951 208 3HD1 ILE 33 3HD1 ILE 33 -3.572 -5.887 -7.339 209 H ALA 34 H ALA 34 -2.455 -1.625 -7.379 210 HA ALA 34 HA ALA 34 -0.373 -1.106 -9.416 211 1HB ALA 34 1HB ALA 34 -1.613 1.027 -9.095 212 2HB ALA 34 2HB ALA 34 0.059 1.150 -8.547 213 3HB ALA 34 3HB ALA 34 -1.243 0.958 -7.372 214 H GLN 35 H GLN 35 1.725 -1.408 -8.562 215 HA GLN 35 HA GLN 35 1.856 -2.742 -5.935 216 1HB GLN 35 2HB GLN 35 2.981 -3.674 -7.899 217 2HB GLN 35 1HB GLN 35 3.878 -2.170 -8.122 218 1HG GLN 35 2HG GLN 35 4.672 -2.586 -5.661 219 2HG GLN 35 1HG GLN 35 4.190 -4.253 -5.977 220 1HE2 GLN 35 1HE2 GLN 35 5.759 -5.530 -6.960 221 2HE2 GLN 35 2HE2 GLN 35 7.091 -4.938 -7.830 222 H CYS 36 H CYS 36 2.354 -1.597 -4.101 223 HA CYS 36 HA CYS 36 3.855 0.984 -4.414 224 1HB CYS 36 2HB CYS 36 1.905 0.190 -2.237 225 2HB CYS 36 1HB CYS 36 2.515 1.806 -2.587 226 H ALA 37 H ALA 37 4.778 1.549 -2.044 227 HA ALA 37 HA ALA 37 5.838 -0.817 -0.621 228 1HB ALA 37 1HB ALA 37 7.196 -0.045 -2.781 229 2HB ALA 37 2HB ALA 37 8.040 -0.549 -1.316 230 3HB ALA 37 3HB ALA 37 7.827 1.167 -1.666 231 HA PRO 38 HA PRO 38 5.444 2.252 2.549 232 1HB PRO 38 2HB PRO 38 6.587 0.837 4.586 233 2HB PRO 38 1HB PRO 38 4.949 0.519 3.983 234 1HG PRO 38 2HG PRO 38 7.476 -0.953 3.453 235 2HG PRO 38 1HG PRO 38 5.827 -1.570 3.638 236 1HD PRO 38 2HD PRO 38 7.093 -1.239 1.214 237 2HD PRO 38 1HD PRO 38 5.330 -1.259 1.430 238 H VAL 39 H VAL 39 6.902 3.493 4.034 239 HA VAL 39 HA VAL 39 9.811 3.212 3.602 240 HB VAL 39 HB VAL 39 8.230 5.625 2.709 241 1HG1 VAL 39 1HG1 VAL 39 10.640 6.030 1.663 242 2HG1 VAL 39 2HG1 VAL 39 11.142 5.038 3.032 243 3HG1 VAL 39 3HG1 VAL 39 10.268 6.545 3.307 244 1HG2 VAL 39 1HG2 VAL 39 9.163 4.921 0.446 245 2HG2 VAL 39 2HG2 VAL 39 7.918 3.863 1.108 246 3HG2 VAL 39 3HG2 VAL 39 9.615 3.395 1.205 247 H GLY 40 H GLY 40 9.482 2.887 6.006 248 1HA GLY 40 2HA GLY 40 10.012 3.854 8.117 249 2HA GLY 40 1HA GLY 40 9.797 5.455 7.406 250 H GLY 41 H GLY 41 7.130 4.149 6.322 251 1HA GLY 41 2HA GLY 41 5.245 3.416 8.062 252 2HA GLY 41 1HA GLY 41 5.537 5.057 8.645 253 H GLN 42 H GLN 42 6.060 6.221 6.062 254 HA GLN 42 HA GLN 42 3.339 6.771 5.225 255 1HB GLN 42 2HB GLN 42 6.019 7.774 4.889 256 2HB GLN 42 1HB GLN 42 5.236 7.665 3.312 257 1HG GLN 42 2HG GLN 42 4.315 9.668 3.864 258 2HG GLN 42 1HG GLN 42 3.221 8.703 4.856 259 1HE2 GLN 42 1HE2 GLN 42 5.315 7.924 6.810 260 2HE2 GLN 42 2HE2 GLN 42 5.655 9.317 7.720 261 H ASP 43 H ASP 43 2.759 6.587 2.807 262 HA ASP 43 HA ASP 43 3.593 3.886 1.812 263 1HB ASP 43 2HB ASP 43 1.365 3.935 0.703 264 2HB ASP 43 1HB ASP 43 1.233 4.154 2.448 265 H ALA 44 H ALA 44 4.153 3.672 -0.395 266 HA ALA 44 HA ALA 44 4.265 6.161 -2.044 267 1HB ALA 44 1HB ALA 44 6.560 6.099 -2.170 268 2HB ALA 44 2HB ALA 44 6.611 4.337 -2.101 269 3HB ALA 44 3HB ALA 44 6.398 5.273 -0.620 270 H CYS 45 H CYS 45 2.720 5.339 -3.531 271 HA CYS 45 HA CYS 45 2.943 2.608 -4.576 272 1HB CYS 45 2HB CYS 45 1.199 5.022 -4.995 273 2HB CYS 45 1HB CYS 45 1.097 3.661 -6.111 274 H ASN 46 H ASN 46 3.185 2.209 -6.929 275 HA ASN 46 HA ASN 46 5.256 4.001 -8.103 276 1HB ASN 46 2HB ASN 46 5.583 1.519 -7.679 277 2HB ASN 46 1HB ASN 46 4.367 1.224 -8.923 278 1HD2 ASN 46 1HD2 ASN 46 6.626 0.133 -9.721 279 2HD2 ASN 46 2HD2 ASN 46 7.516 1.108 -10.788 280 HA PRO 47 HA PRO 47 2.010 5.360 -10.862 281 1HB PRO 47 2HB PRO 47 3.548 7.131 -12.266 282 2HB PRO 47 1HB PRO 47 2.889 7.490 -10.657 283 1HG PRO 47 2HG PRO 47 5.637 6.642 -11.429 284 2HG PRO 47 1HG PRO 47 5.117 7.798 -10.193 285 1HD PRO 47 2HD PRO 47 5.911 5.240 -9.634 286 2HD PRO 47 1HD PRO 47 4.784 6.167 -8.620 287 H ALA 48 H ALA 48 4.969 3.776 -11.580 288 HA ALA 48 HA ALA 48 4.843 3.689 -14.448 289 1HB ALA 48 1HB ALA 48 6.160 2.193 -12.219 290 2HB ALA 48 2HB ALA 48 6.897 3.097 -13.542 291 3HB ALA 48 3HB ALA 48 6.217 1.497 -13.839 292 H THR 49 H THR 49 4.032 1.127 -12.086 293 HA THR 49 HA THR 49 2.428 -0.278 -14.131 294 HB THR 49 HB THR 49 2.203 -1.865 -12.097 295 HG1 THR 49 HG1 THR 49 2.779 -0.684 -10.402 296 1HG2 THR 49 1HG2 THR 49 4.519 -2.686 -12.431 297 2HG2 THR 49 2HG2 THR 49 4.912 -1.180 -13.262 298 3HG2 THR 49 3HG2 THR 49 3.729 -2.289 -13.957 299 H ALA 50 H ALA 50 0.323 0.334 -14.387 300 HA ALA 50 HA ALA 50 -1.406 0.628 -12.015 301 1HB ALA 50 1HB ALA 50 -2.076 2.918 -13.349 302 2HB ALA 50 2HB ALA 50 -0.340 2.851 -13.655 303 3HB ALA 50 3HB ALA 50 -0.945 2.868 -11.997 304 H THR 51 H THR 51 -2.457 -1.233 -13.042 305 HA THR 51 HA THR 51 -3.694 -0.761 -15.703 306 HB THR 51 HB THR 51 -4.203 -3.170 -15.531 307 HG1 THR 51 HG1 THR 51 -4.201 -4.113 -13.664 308 1HG2 THR 51 1HG2 THR 51 -2.013 -3.907 -15.807 309 2HG2 THR 51 2HG2 THR 51 -1.404 -2.903 -14.490 310 3HG2 THR 51 3HG2 THR 51 -1.826 -2.169 -16.038 311 H SER 52 H SER 52 -6.005 -0.982 -15.977 312 HA SER 52 HA SER 52 -7.571 -0.501 -13.464 313 1HB SER 52 2HB SER 52 -9.073 0.761 -15.110 314 2HB SER 52 1HB SER 52 -7.498 1.482 -14.802 315 HG SER 52 HG SER 52 -8.361 1.060 -17.102 316 H PHE 53 H PHE 53 -8.990 -2.135 -13.033 317 HA PHE 53 HA PHE 53 -10.163 -3.652 -15.338 318 1HB PHE 53 2HB PHE 53 -9.748 -5.706 -14.116 319 2HB PHE 53 1HB PHE 53 -8.236 -4.803 -14.187 320 HD1 PHE 53 HD1 PHE 53 -10.855 -6.119 -12.031 321 HD2 PHE 53 HD2 PHE 53 -7.479 -3.470 -12.206 322 HE1 PHE 53 HE1 PHE 53 -10.751 -6.090 -9.555 323 HE2 PHE 53 HE2 PHE 53 -7.373 -3.441 -9.729 324 HZ PHE 53 HZ PHE 53 -9.011 -4.750 -8.404 325 H THR 54 H THR 54 -12.353 -4.142 -15.081 326 HA THR 54 HA THR 54 -13.708 -2.967 -12.701 327 HB THR 54 HB THR 54 -14.824 -4.020 -15.320 328 HG1 THR 54 HG1 THR 54 -13.968 -2.305 -16.134 329 1HG2 THR 54 1HG2 THR 54 -16.001 -1.976 -13.430 330 2HG2 THR 54 2HG2 THR 54 -16.359 -3.699 -13.306 331 3HG2 THR 54 3HG2 THR 54 -16.803 -2.809 -14.762 332 H THR 55 H THR 55 -15.256 -4.258 -11.505 333 HA THR 55 HA THR 55 -14.522 -7.016 -11.120 334 HB THR 55 HB THR 55 -16.817 -6.861 -9.826 335 HG1 THR 55 HG1 THR 55 -17.628 -4.887 -9.682 336 1HG2 THR 55 1HG2 THR 55 -14.721 -6.872 -8.666 337 2HG2 THR 55 2HG2 THR 55 -15.632 -5.485 -8.070 338 3HG2 THR 55 3HG2 THR 55 -14.333 -5.246 -9.234 339 H ASP 56 H ASP 56 -16.428 -8.704 -11.121 340 HA ASP 56 HA ASP 56 -17.499 -8.754 -13.901 341 1HB ASP 56 2HB ASP 56 -16.844 -10.733 -11.736 342 2HB ASP 56 1HB ASP 56 -17.941 -11.202 -13.036 343 H ALA 57 H ALA 57 -19.652 -10.480 -13.540 344 HA ALA 57 HA ALA 57 -21.741 -8.716 -12.679 345 1HB ALA 57 1HB ALA 57 -21.648 -10.800 -14.290 346 2HB ALA 57 2HB ALA 57 -23.132 -10.458 -13.401 347 3HB ALA 57 3HB ALA 57 -22.025 -11.704 -12.823 348 H SER 58 H SER 58 -19.890 -11.205 -11.039 349 HA SER 58 HA SER 58 -21.667 -11.112 -8.664 350 1HB SER 58 2HB SER 58 -20.485 -13.059 -8.021 351 2HB SER 58 1HB SER 58 -20.541 -13.181 -9.777 352 HG SER 58 HG SER 58 -18.412 -12.616 -8.064 353 H GLY 59 H GLY 59 -19.644 -8.951 -9.750 354 1HA GLY 59 2HA GLY 59 -18.371 -7.273 -8.705 355 2HA GLY 59 1HA GLY 59 -18.882 -7.941 -7.157 356 H ALA 60 H ALA 60 -17.467 -10.262 -9.217 357 HA ALA 60 HA ALA 60 -14.988 -10.219 -7.546 358 1HB ALA 60 1HB ALA 60 -16.070 -12.303 -7.403 359 2HB ALA 60 2HB ALA 60 -14.872 -12.590 -8.664 360 3HB ALA 60 3HB ALA 60 -16.552 -12.273 -9.099 361 H ALA 61 H ALA 61 -13.073 -9.611 -8.514 362 HA ALA 61 HA ALA 61 -13.036 -9.380 -11.500 363 1HB ALA 61 1HB ALA 61 -10.912 -8.110 -9.892 364 2HB ALA 61 2HB ALA 61 -12.539 -7.545 -9.514 365 3HB ALA 61 3HB ALA 61 -11.922 -7.419 -11.161 366 H SER 62 H SER 62 -11.046 -10.005 -12.588 367 HA SER 62 HA SER 62 -8.961 -11.484 -11.168 368 1HB SER 62 2HB SER 62 -10.914 -12.954 -12.963 369 2HB SER 62 1HB SER 62 -9.544 -13.667 -12.117 370 HG SER 62 HG SER 62 -10.629 -13.593 -10.291 371 H PHE 63 H PHE 63 -7.130 -11.105 -12.385 372 HA PHE 63 HA PHE 63 -7.172 -11.370 -15.295 373 1HB PHE 63 2HB PHE 63 -6.624 -8.967 -15.683 374 2HB PHE 63 1HB PHE 63 -8.235 -9.187 -14.999 375 HD1 PHE 63 HD1 PHE 63 -4.742 -8.210 -14.242 376 HD2 PHE 63 HD2 PHE 63 -8.774 -8.427 -12.775 377 HE1 PHE 63 HE1 PHE 63 -4.115 -6.780 -12.312 378 HE2 PHE 63 HE2 PHE 63 -8.145 -6.999 -10.847 379 HZ PHE 63 HZ PHE 63 -5.819 -6.178 -10.615 380 H SER 64 H SER 64 -4.959 -10.485 -16.168 381 HA SER 64 HA SER 64 -2.843 -11.461 -14.311 382 1HB SER 64 2HB SER 64 -2.258 -10.828 -17.140 383 2HB SER 64 1HB SER 64 -1.869 -12.275 -16.217 384 HG SER 64 HG SER 64 -4.234 -12.674 -16.341 385 H PHE 65 H PHE 65 -1.197 -10.086 -13.634 386 HA PHE 65 HA PHE 65 -1.016 -7.375 -14.861 387 1HB PHE 65 2HB PHE 65 -2.392 -7.044 -12.959 388 2HB PHE 65 1HB PHE 65 -1.452 -8.176 -11.988 389 HD1 PHE 65 HD1 PHE 65 -1.227 -4.909 -13.776 390 HD2 PHE 65 HD2 PHE 65 0.347 -7.426 -10.676 391 HE1 PHE 65 HE1 PHE 65 0.211 -3.050 -13.003 392 HE2 PHE 65 HE2 PHE 65 1.785 -5.570 -9.900 393 HZ PHE 65 HZ PHE 65 1.726 -3.380 -11.060 394 H VAL 66 H VAL 66 1.105 -6.729 -15.142 395 HA VAL 66 HA VAL 66 3.248 -8.599 -14.411 396 HB VAL 66 HB VAL 66 3.313 -5.870 -15.717 397 1HG1 VAL 66 1HG1 VAL 66 5.378 -7.017 -16.808 398 2HG1 VAL 66 2HG1 VAL 66 5.284 -8.131 -15.445 399 3HG1 VAL 66 3HG1 VAL 66 5.535 -6.408 -15.160 400 1HG2 VAL 66 1HG2 VAL 66 3.625 -8.024 -17.565 401 2HG2 VAL 66 2HG2 VAL 66 2.336 -6.822 -17.506 402 3HG2 VAL 66 3HG2 VAL 66 2.173 -8.335 -16.614 403 H VAL 67 H VAL 67 5.226 -7.767 -13.322 404 HA VAL 67 HA VAL 67 4.628 -5.627 -11.299 405 HB VAL 67 HB VAL 67 6.025 -7.168 -9.772 406 1HG1 VAL 67 1HG1 VAL 67 3.322 -8.056 -10.822 407 2HG1 VAL 67 2HG1 VAL 67 3.614 -6.925 -9.501 408 3HG1 VAL 67 3HG1 VAL 67 4.046 -8.625 -9.318 409 1HG2 VAL 67 1HG2 VAL 67 5.153 -9.432 -11.497 410 2HG2 VAL 67 2HG2 VAL 67 6.583 -9.283 -10.477 411 3HG2 VAL 67 3HG2 VAL 67 6.550 -8.516 -12.064 412 H ARG 68 H ARG 68 6.620 -4.600 -10.431 413 HA ARG 68 HA ARG 68 8.949 -4.842 -12.311 414 1HB ARG 68 2HB ARG 68 7.238 -2.615 -11.514 415 2HB ARG 68 1HB ARG 68 8.946 -2.265 -11.241 416 1HG ARG 68 2HG ARG 68 9.296 -2.008 -13.449 417 2HG ARG 68 1HG ARG 68 8.625 -3.606 -13.774 418 1HD ARG 68 2HD ARG 68 6.325 -2.626 -13.684 419 2HD ARG 68 1HD ARG 68 7.055 -1.020 -13.493 420 HE ARG 68 HE ARG 68 7.597 -2.778 -15.858 421 1HH1 ARG 68 1HH2 ARG 68 8.146 0.207 -14.348 422 2HH1 ARG 68 2HH2 ARG 68 7.926 1.154 -15.781 423 1HH2 ARG 68 1HH1 ARG 68 6.895 -1.531 -17.718 424 2HH2 ARG 68 2HH1 ARG 68 7.222 0.170 -17.689 425 H LYS 69 H LYS 69 10.497 -5.867 -11.123 426 HA LYS 69 HA LYS 69 10.808 -6.186 -8.405 427 1HB LYS 69 2HB LYS 69 12.212 -7.337 -9.931 428 2HB LYS 69 1HB LYS 69 12.798 -5.833 -10.644 429 1HG LYS 69 2HG LYS 69 14.011 -5.271 -8.629 430 2HG LYS 69 1HG LYS 69 13.291 -6.629 -7.762 431 1HD LYS 69 2HD LYS 69 14.451 -8.225 -9.147 432 2HD LYS 69 1HD LYS 69 15.015 -6.951 -10.230 433 1HE LYS 69 2HE LYS 69 16.330 -5.955 -8.373 434 2HE LYS 69 1HE LYS 69 15.791 -7.271 -7.310 435 1HZ LYS 69 1HZ LYS 69 17.488 -7.427 -9.718 436 2HZ LYS 69 2HZ LYS 69 16.597 -8.779 -9.204 437 3HZ LYS 69 3HZ LYS 69 17.765 -8.088 -8.181 438 H SER 70 H SER 70 12.020 -3.336 -10.259 439 HA SER 70 HA SER 70 12.322 -1.929 -7.612 440 1HB SER 70 2HB SER 70 14.212 -2.142 -9.957 441 2HB SER 70 1HB SER 70 14.371 -0.867 -8.750 442 HG SER 70 HG SER 70 15.567 -2.475 -7.929 443 H TYR 71 H TYR 71 12.052 0.411 -7.721 444 HA TYR 71 HA TYR 71 11.505 1.844 -10.156 445 1HB TYR 71 2HB TYR 71 9.112 1.850 -10.149 446 2HB TYR 71 1HB TYR 71 9.581 0.163 -9.949 447 HD1 TYR 71 HD1 TYR 71 8.403 3.191 -8.155 448 HD2 TYR 71 HD2 TYR 71 9.088 -1.043 -7.943 449 HE1 TYR 71 HE1 TYR 71 7.145 3.096 -6.020 450 HE2 TYR 71 HE2 TYR 71 7.832 -1.141 -5.808 451 HH TYR 71 HH TYR 71 6.136 1.685 -4.547 452 H THR 72 H THR 72 10.659 4.075 -9.641 453 HA THR 72 HA THR 72 11.721 5.021 -7.075 454 HB THR 72 HB THR 72 10.168 6.733 -8.952 455 HG1 THR 72 HG1 THR 72 12.758 5.811 -9.587 456 1HG2 THR 72 1HG2 THR 72 12.502 7.968 -8.616 457 2HG2 THR 72 2HG2 THR 72 12.580 6.911 -7.207 458 3HG2 THR 72 3HG2 THR 72 11.241 8.044 -7.386 459 H GLY 73 H GLY 73 10.502 5.436 -5.253 460 1HA GLY 73 2HA GLY 73 7.639 4.838 -5.305 461 2HA GLY 73 1HA GLY 73 8.569 5.302 -3.884 462 H SER 74 H SER 74 5.970 6.301 -5.009 463 HA SER 74 HA SER 74 6.403 9.143 -4.484 464 1HB SER 74 2HB SER 74 5.420 8.424 -7.246 465 2HB SER 74 1HB SER 74 6.046 9.968 -6.678 466 HG SER 74 HG SER 74 7.714 9.072 -7.752 467 H THR 75 H THR 75 4.518 9.774 -3.476 468 HA THR 75 HA THR 75 2.218 8.137 -3.196 469 HB THR 75 HB THR 75 1.208 10.272 -2.351 470 HG1 THR 75 HG1 THR 75 2.315 12.140 -2.596 471 1HG2 THR 75 1HG2 THR 75 3.135 8.790 -1.222 472 2HG2 THR 75 2HG2 THR 75 2.497 10.243 -0.452 473 3HG2 THR 75 3HG2 THR 75 4.012 10.315 -1.354 474 HA PRO 76 HA PRO 76 0.114 8.733 -7.019 475 1HB PRO 76 2HB PRO 76 -2.415 8.083 -6.208 476 2HB PRO 76 1HB PRO 76 -1.140 6.874 -6.459 477 1HG PRO 76 2HG PRO 76 -2.120 8.089 -3.920 478 2HG PRO 76 1HG PRO 76 -1.643 6.418 -4.260 479 1HD PRO 76 2HD PRO 76 -0.029 8.189 -2.969 480 2HD PRO 76 1HD PRO 76 0.591 6.852 -3.962 481 H GLU 77 H GLU 77 -0.299 10.655 -4.274 482 HA GLU 77 HA GLU 77 -2.519 12.298 -5.272 483 1HB GLU 77 2HB GLU 77 -0.562 12.425 -2.968 484 2HB GLU 77 1HB GLU 77 -1.768 13.681 -3.245 485 1HG GLU 77 2HG GLU 77 -3.380 12.411 -2.324 486 2HG GLU 77 1HG GLU 77 -3.002 11.075 -3.413 487 H GLY 78 H GLY 78 0.305 13.909 -4.009 488 1HA GLY 78 2HA GLY 78 1.337 14.708 -6.625 489 2HA GLY 78 1HA GLY 78 0.458 15.988 -5.790 490 H THR 79 H THR 79 2.783 13.472 -4.737 491 HA THR 79 HA THR 79 4.722 15.534 -3.924 492 HB THR 79 HB THR 79 4.229 13.985 -1.579 493 HG1 THR 79 HG1 THR 79 1.996 14.861 -1.329 494 1HG2 THR 79 1HG2 THR 79 3.167 16.735 -1.707 495 2HG2 THR 79 2HG2 THR 79 4.845 16.560 -2.226 496 3HG2 THR 79 3HG2 THR 79 4.361 16.036 -0.612 497 HA PRO 80 HA PRO 80 7.206 11.976 -4.793 498 1HB PRO 80 2HB PRO 80 9.627 13.079 -4.163 499 2HB PRO 80 1HB PRO 80 8.753 13.459 -5.660 500 1HG PRO 80 2HG PRO 80 9.005 15.048 -3.164 501 2HG PRO 80 1HG PRO 80 8.906 15.592 -4.845 502 1HD PRO 80 2HD PRO 80 6.805 15.646 -3.050 503 2HD PRO 80 1HD PRO 80 6.629 15.650 -4.818 504 H VAL 81 H VAL 81 8.607 10.469 -3.572 505 HA VAL 81 HA VAL 81 8.556 10.891 -0.612 506 HB VAL 81 HB VAL 81 7.925 8.351 -2.111 507 1HG1 VAL 81 1HG1 VAL 81 7.022 8.770 0.670 508 2HG1 VAL 81 2HG1 VAL 81 8.771 8.644 0.470 509 3HG1 VAL 81 3HG1 VAL 81 7.723 7.336 -0.082 510 1HG2 VAL 81 1HG2 VAL 81 5.619 8.794 -1.767 511 2HG2 VAL 81 2HG2 VAL 81 6.279 10.320 -2.353 512 3HG2 VAL 81 3HG2 VAL 81 5.959 10.101 -0.632 513 H GLY 82 H GLY 82 9.995 9.143 -3.348 514 1HA GLY 82 2HA GLY 82 12.638 9.438 -2.953 515 2HA GLY 82 1HA GLY 82 12.269 8.290 -1.665 516 H SER 83 H SER 83 13.868 7.007 -3.084 517 HA SER 83 HA SER 83 12.633 5.821 -5.508 518 1HB SER 83 2HB SER 83 15.287 5.111 -4.282 519 2HB SER 83 1HB SER 83 14.830 5.110 -5.982 520 HG SER 83 HG SER 83 15.058 7.249 -6.054 521 H VAL 84 H VAL 84 12.675 3.373 -5.683 522 HA VAL 84 HA VAL 84 12.496 1.998 -3.043 523 HB VAL 84 HB VAL 84 10.407 2.276 -5.202 524 1HG1 VAL 84 1HG1 VAL 84 10.344 -0.050 -4.898 525 2HG1 VAL 84 2HG1 VAL 84 9.177 0.523 -3.706 526 3HG1 VAL 84 3HG1 VAL 84 10.802 0.064 -3.198 527 1HG2 VAL 84 1HG2 VAL 84 10.480 2.650 -2.193 528 2HG2 VAL 84 2HG2 VAL 84 8.995 2.706 -3.142 529 3HG2 VAL 84 3HG2 VAL 84 10.263 3.900 -3.420 530 H ASP 85 H ASP 85 12.759 -0.307 -3.227 531 HA ASP 85 HA ASP 85 13.415 -1.448 -5.873 532 1HB ASP 85 2HB ASP 85 15.404 -1.250 -3.590 533 2HB ASP 85 1HB ASP 85 15.691 -2.041 -5.139 534 H CYS 86 H CYS 86 11.849 -3.028 -5.552 535 HA CYS 86 HA CYS 86 11.333 -4.440 -3.118 536 1HB CYS 86 2HB CYS 86 10.939 -5.478 -5.938 537 2HB CYS 86 1HB CYS 86 9.959 -5.822 -4.516 538 H ALA 87 H ALA 87 14.023 -4.604 -5.198 539 HA ALA 87 HA ALA 87 14.684 -7.365 -5.233 540 1HB ALA 87 1HB ALA 87 15.783 -5.513 -6.495 541 2HB ALA 87 2HB ALA 87 16.951 -6.519 -5.638 542 3HB ALA 87 3HB ALA 87 16.495 -4.945 -4.985 543 H THR 88 H THR 88 15.498 -4.847 -2.858 544 HA THR 88 HA THR 88 16.152 -7.022 -0.897 545 HB THR 88 HB THR 88 18.128 -5.790 -1.670 546 HG1 THR 88 HG1 THR 88 17.603 -4.604 0.800 547 1HG2 THR 88 1HG2 THR 88 16.262 -3.575 -1.525 548 2HG2 THR 88 2HG2 THR 88 17.814 -3.671 -2.358 549 3HG2 THR 88 3HG2 THR 88 17.752 -3.205 -0.658 550 H ALA 89 H ALA 89 13.858 -4.813 -1.657 551 HA ALA 89 HA ALA 89 13.373 -3.980 1.169 552 1HB ALA 89 1HB ALA 89 12.008 -2.847 -1.255 553 2HB ALA 89 2HB ALA 89 13.673 -2.383 -0.895 554 3HB ALA 89 3HB ALA 89 12.393 -2.050 0.272 555 H ALA 90 H ALA 90 11.013 -3.922 1.785 556 HA ALA 90 HA ALA 90 9.663 -6.396 0.872 557 1HB ALA 90 1HB ALA 90 9.382 -4.422 3.135 558 2HB ALA 90 2HB ALA 90 9.769 -6.141 3.221 559 3HB ALA 90 3HB ALA 90 8.129 -5.624 2.828 560 H CYS 91 H CYS 91 8.878 -5.708 -1.215 561 HA CYS 91 HA CYS 91 7.222 -3.292 -1.447 562 1HB CYS 91 2HB CYS 91 8.381 -5.424 -3.157 563 2HB CYS 91 1HB CYS 91 6.900 -4.678 -3.758 564 H ASN 92 H ASN 92 4.978 -3.491 -2.350 565 HA ASN 92 HA ASN 92 3.546 -6.009 -1.753 566 1HB ASN 92 2HB ASN 92 2.212 -5.062 -0.033 567 2HB ASN 92 1HB ASN 92 3.839 -4.485 0.327 568 1HD2 ASN 92 1HD2 ASN 92 1.294 -3.138 1.053 569 2HD2 ASN 92 2HD2 ASN 92 1.326 -1.621 0.293 570 H LEU 93 H LEU 93 1.012 -5.365 -2.089 571 HA LEU 93 HA LEU 93 0.744 -3.472 -4.375 572 1HB LEU 93 2HB LEU 93 1.197 -5.561 -5.446 573 2HB LEU 93 1HB LEU 93 0.180 -6.443 -4.307 574 HG LEU 93 HG LEU 93 -1.785 -5.085 -5.197 575 1HD1 LEU 93 1HD1 LEU 93 -0.811 -4.561 -7.781 576 2HD1 LEU 93 2HD1 LEU 93 0.404 -3.903 -6.686 577 3HD1 LEU 93 3HD1 LEU 93 -1.272 -3.371 -6.566 578 1HD2 LEU 93 1HD2 LEU 93 -1.707 -7.327 -5.918 579 2HD2 LEU 93 2HD2 LEU 93 -0.226 -7.075 -6.841 580 3HD2 LEU 93 3HD2 LEU 93 -1.756 -6.426 -7.433 581 H GLY 94 H GLY 94 -1.460 -2.732 -4.629 582 1HA GLY 94 2HA GLY 94 -3.497 -3.796 -2.779 583 2HA GLY 94 1HA GLY 94 -3.006 -2.125 -2.496 584 H ALA 95 H ALA 95 -5.648 -2.877 -3.247 585 HA ALA 95 HA ALA 95 -5.808 -1.805 -6.048 586 1HB ALA 95 1HB ALA 95 -7.628 -3.619 -4.438 587 2HB ALA 95 2HB ALA 95 -6.617 -4.092 -5.804 588 3HB ALA 95 3HB ALA 95 -8.001 -3.027 -6.056 589 H GLY 96 H GLY 96 -8.297 -0.886 -6.229 590 1HA GLY 96 2HA GLY 96 -9.875 0.304 -4.470 591 2HA GLY 96 1HA GLY 96 -8.419 1.252 -4.167 592 H ASN 97 H ASN 97 -11.149 1.878 -5.458 593 HA ASN 97 HA ASN 97 -10.135 2.941 -8.054 594 1HB ASN 97 2HB ASN 97 -12.049 1.370 -8.111 595 2HB ASN 97 1HB ASN 97 -12.951 2.451 -7.049 596 1HD2 ASN 97 1HD2 ASN 97 -14.527 2.551 -8.947 597 2HD2 ASN 97 2HD2 ASN 97 -14.202 3.646 -10.202 598 H SER 98 H SER 98 -11.752 3.791 -5.031 599 HA SER 98 HA SER 98 -10.894 6.560 -5.232 600 1HB SER 98 2HB SER 98 -13.276 5.755 -6.557 601 2HB SER 98 1HB SER 98 -13.762 6.715 -5.162 602 HG SER 98 HG SER 98 -12.443 7.446 -7.464 603 H GLY 99 H GLY 99 -13.603 4.650 -3.846 604 1HA GLY 99 2HA GLY 99 -12.588 5.304 -1.137 605 2HA GLY 99 1HA GLY 99 -14.239 5.787 -1.525 606 H LEU 100 H LEU 100 -12.239 2.845 -1.984 607 HA LEU 100 HA LEU 100 -14.426 1.280 -0.680 608 1HB LEU 100 2HB LEU 100 -14.384 1.401 -3.294 609 2HB LEU 100 1HB LEU 100 -13.014 0.298 -3.146 610 HG LEU 100 HG LEU 100 -15.768 -0.158 -1.960 611 1HD1 LEU 100 1HD1 LEU 100 -15.491 -0.338 -4.501 612 2HD1 LEU 100 2HD1 LEU 100 -16.106 -1.773 -3.678 613 3HD1 LEU 100 3HD1 LEU 100 -14.417 -1.700 -4.180 614 1HD2 LEU 100 1HD2 LEU 100 -14.130 -1.219 -0.566 615 2HD2 LEU 100 2HD2 LEU 100 -13.205 -1.773 -1.962 616 3HD2 LEU 100 3HD2 LEU 100 -14.780 -2.486 -1.607 617 H ASP 101 H ASP 101 -11.155 1.008 -2.089 618 HA ASP 101 HA ASP 101 -9.247 -0.151 -1.309 619 1HB ASP 101 2HB ASP 101 -10.585 1.220 0.853 620 2HB ASP 101 1HB ASP 101 -9.805 -0.241 1.462 621 H LEU 102 H LEU 102 -9.302 -2.305 -1.896 622 HA LEU 102 HA LEU 102 -11.212 -4.140 -0.570 623 1HB LEU 102 2HB LEU 102 -9.234 -4.542 -2.836 624 2HB LEU 102 1HB LEU 102 -10.527 -5.653 -2.378 625 HG LEU 102 HG LEU 102 -11.720 -3.100 -2.706 626 1HD1 LEU 102 1HD1 LEU 102 -10.472 -3.772 -5.316 627 2HD1 LEU 102 2HD1 LEU 102 -9.419 -3.001 -4.130 628 3HD1 LEU 102 3HD1 LEU 102 -10.902 -2.199 -4.645 629 1HD2 LEU 102 1HD2 LEU 102 -12.386 -5.638 -3.216 630 2HD2 LEU 102 2HD2 LEU 102 -11.864 -5.191 -4.840 631 3HD2 LEU 102 3HD2 LEU 102 -13.168 -4.299 -4.056 632 H GLY 103 H GLY 103 -7.730 -4.251 -1.428 633 1HA GLY 103 2HA GLY 103 -6.816 -4.838 1.206 634 2HA GLY 103 1HA GLY 103 -7.073 -6.360 0.354 635 H HIS 104 H HIS 104 -4.550 -6.090 0.965 636 HA HIS 104 HA HIS 104 -3.233 -5.287 -1.590 637 1HB HIS 104 2HB HIS 104 -1.460 -4.195 -0.205 638 2HB HIS 104 1HB HIS 104 -3.036 -3.429 -0.005 639 HD1 HIS 104 HD1 HIS 104 -0.513 -5.537 1.792 640 HD2 HIS 104 HD2 HIS 104 -4.266 -3.881 2.534 641 HE1 HIS 104 HE1 HIS 104 -0.925 -5.779 4.281 642 H VAL 105 H VAL 105 -1.661 -6.771 -2.214 643 HA VAL 105 HA VAL 105 -1.112 -9.035 -0.330 644 HB VAL 105 HB VAL 105 -0.863 -8.736 -3.341 645 1HG1 VAL 105 1HG1 VAL 105 0.039 -10.829 -3.439 646 2HG1 VAL 105 2HG1 VAL 105 -0.915 -11.411 -2.074 647 3HG1 VAL 105 3HG1 VAL 105 0.551 -10.473 -1.789 648 1HG2 VAL 105 1HG2 VAL 105 -2.930 -9.777 -3.521 649 2HG2 VAL 105 2HG2 VAL 105 -3.177 -8.860 -2.035 650 3HG2 VAL 105 3HG2 VAL 105 -2.780 -10.576 -1.957 651 H ALA 106 H ALA 106 0.953 -9.224 0.491 652 HA ALA 106 HA ALA 106 3.019 -7.298 -0.311 653 1HB ALA 106 1HB ALA 106 3.461 -9.643 1.508 654 2HB ALA 106 2HB ALA 106 2.355 -8.367 2.018 655 3HB ALA 106 3HB ALA 106 4.041 -7.986 1.669 656 H LEU 107 H LEU 107 4.437 -7.691 -1.952 657 HA LEU 107 HA LEU 107 4.845 -10.519 -2.847 658 1HB LEU 107 2HB LEU 107 5.613 -7.977 -4.298 659 2HB LEU 107 1HB LEU 107 5.285 -9.567 -4.986 660 HG LEU 107 HG LEU 107 3.194 -7.899 -3.557 661 1HD1 LEU 107 1HD1 LEU 107 2.318 -7.488 -5.875 662 2HD1 LEU 107 2HD1 LEU 107 3.805 -8.189 -6.512 663 3HD1 LEU 107 3HD1 LEU 107 3.867 -6.706 -5.560 664 1HD2 LEU 107 1HD2 LEU 107 1.883 -9.720 -3.786 665 2HD2 LEU 107 2HD2 LEU 107 3.300 -10.616 -4.332 666 3HD2 LEU 107 3HD2 LEU 107 2.255 -9.817 -5.507 667 H THR 108 H THR 108 7.149 -10.909 -3.719 668 HA THR 108 HA THR 108 9.250 -9.330 -2.337 669 HB THR 108 HB THR 108 8.397 -12.145 -1.776 670 HG1 THR 108 HG1 THR 108 8.839 -11.416 0.340 671 1HG2 THR 108 1HG2 THR 108 10.734 -12.379 -2.486 672 2HG2 THR 108 2HG2 THR 108 10.600 -12.603 -0.742 673 3HG2 THR 108 3HG2 THR 108 11.204 -11.078 -1.391 674 H PHE 109 H PHE 109 11.201 -9.380 -3.510 675 HA PHE 109 HA PHE 109 11.169 -11.022 -6.020 676 1HB PHE 109 2HB PHE 109 12.294 -8.353 -5.198 677 2HB PHE 109 1HB PHE 109 12.963 -9.201 -6.592 678 HD1 PHE 109 HD1 PHE 109 11.651 -9.549 -8.615 679 HD2 PHE 109 HD2 PHE 109 9.975 -7.549 -5.206 680 HE1 PHE 109 HE1 PHE 109 9.765 -8.752 -10.015 681 HE2 PHE 109 HE2 PHE 109 8.087 -6.749 -6.602 682 HZ PHE 109 HZ PHE 109 7.982 -7.350 -9.008 683 H GLY 110 H GLY 110 12.001 -12.828 -4.510 684 1HA GLY 110 2HA GLY 110 13.793 -14.174 -3.810 685 2HA GLY 110 1HA GLY 110 14.807 -13.192 -4.871 686 2H2' ROM 111 2H2' ROM 111 -8.230 5.291 -9.514 687 2H3' ROM 111 2H3' ROM 111 -7.243 5.903 -11.360 688 H'1 ROM 111 H'1 ROM 111 -3.067 4.407 -10.997 689 3H18 ROM 111 3H18 ROM 111 -4.682 1.267 -0.088 690 2H18 ROM 111 2H18 ROM 111 -6.101 2.196 0.007 691 2H23 ROM 111 2H23 ROM 111 -5.955 7.733 -2.898 692 H1' ROM 111 H1' ROM 111 -7.440 7.287 -8.617 693 H2' ROM 111 H2' ROM 111 -10.235 7.286 -9.749 694 H3' ROM 111 H3' ROM 111 -9.121 6.848 -11.885 695 H4' ROM 111 H4' ROM 111 -9.601 9.162 -11.225 696 1H6B ROM 111 1H6B ROM 111 -7.057 11.369 -10.677 697 3H6B ROM 111 3H6B ROM 111 -8.813 11.243 -10.775 698 2H6B ROM 111 2H6B ROM 111 -8.030 11.438 -9.207 699 1H6A ROM 111 1H6A ROM 111 -5.990 9.178 -11.092 700 3H6A ROM 111 3H6A ROM 111 -5.804 9.744 -9.435 701 2H6A ROM 111 2H6A ROM 111 -6.242 8.069 -9.750 702 1H4B ROM 111 1H4B ROM 111 -8.666 10.276 -14.255 703 3H4B ROM 111 3H4B ROM 111 -9.578 8.819 -13.827 704 2H4B ROM 111 2H4B ROM 111 -9.795 10.307 -12.888 705 1H4A ROM 111 1H4A ROM 111 -7.745 7.378 -13.313 706 3H4A ROM 111 3H4A ROM 111 -6.857 8.662 -14.155 707 2H4A ROM 111 2H4A ROM 111 -6.310 8.102 -12.565 708 H'8 ROM 111 H'8 ROM 111 -0.134 5.943 -7.723 709 H'6 ROM 111 H'6 ROM 111 0.346 8.567 -11.058 710 1H3A ROM 111 1H3A ROM 111 -2.446 8.110 -14.844 711 2H3A ROM 111 2H3A ROM 111 -3.773 6.819 -14.866 712 1H7A ROM 111 1H7A ROM 111 1.905 6.525 -7.446 713 3H7A ROM 111 3H7A ROM 111 2.418 6.470 -9.132 714 2H7A ROM 111 2H7A ROM 111 3.113 7.665 -8.038 715 H3 ROM 111 H3 ROM 111 -4.248 6.261 -7.326 716 H6 ROM 111 H6 ROM 111 -7.453 3.304 -5.027 717 H5 ROM 111 H5 ROM 111 -5.230 2.417 -5.694 718 H12 ROM 111 H12 ROM 111 -5.129 8.735 -6.594 719 H8 ROM 111 H8 ROM 111 -9.200 5.445 -5.859 720 H13 ROM 111 H13 ROM 111 -3.303 2.888 -7.511 721 H10 ROM 111 H10 ROM 111 -9.008 8.936 -4.899 722 H11 ROM 111 H11 ROM 111 -6.741 10.207 -5.221 723 2H14 ROM 111 2H14 ROM 111 -1.616 2.707 -5.862 724 1H14 ROM 111 1H14 ROM 111 -2.046 4.257 -5.127 725 2H17 ROM 111 2H17 ROM 111 -4.518 1.417 -2.999 726 1H17 ROM 111 1H17 ROM 111 -3.108 1.567 -1.956 727 H18 ROM 111 H18 ROM 111 -4.101 3.440 -0.776 728 H20 ROM 111 H20 ROM 111 -7.370 2.389 -1.870 729 H24 ROM 111 H24 ROM 111 -4.363 5.372 -2.399 730 4H18 ROM 111 4H18 ROM 111 -5.873 1.122 -1.289 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -19.500 -8.853 2.681 2 2H ALA 1 2H ALA 1 -19.121 -9.325 1.094 3 3H ALA 1 3H ALA 1 -19.426 -7.691 1.444 4 HA ALA 1 HA ALA 1 -17.357 -7.322 2.261 5 1HB ALA 1 1HB ALA 1 -16.256 -9.498 3.358 6 2HB ALA 1 2HB ALA 1 -17.938 -10.027 3.390 7 3HB ALA 1 3HB ALA 1 -17.463 -8.547 4.223 8 HA PRO 2 HA PRO 2 -15.933 -9.238 -1.605 9 1HB PRO 2 2HB PRO 2 -14.640 -7.013 -2.519 10 2HB PRO 2 1HB PRO 2 -16.381 -7.278 -2.740 11 1HG PRO 2 2HG PRO 2 -14.966 -5.558 -0.770 12 2HG PRO 2 1HG PRO 2 -16.495 -5.283 -1.619 13 1HD PRO 2 2HD PRO 2 -16.315 -6.114 0.996 14 2HD PRO 2 1HD PRO 2 -17.714 -6.421 -0.057 15 H ALA 3 H ALA 3 -13.758 -9.866 -2.214 16 HA ALA 3 HA ALA 3 -11.611 -9.067 -0.289 17 1HB ALA 3 1HB ALA 3 -11.298 -11.247 0.366 18 2HB ALA 3 2HB ALA 3 -11.730 -11.889 -1.220 19 3HB ALA 3 3HB ALA 3 -12.995 -11.387 -0.097 20 H PHE 4 H PHE 4 -9.436 -9.412 -1.152 21 HA PHE 4 HA PHE 4 -9.323 -9.689 -4.142 22 1HB PHE 4 2HB PHE 4 -9.149 -7.347 -3.440 23 2HB PHE 4 1HB PHE 4 -7.901 -7.763 -2.267 24 HD1 PHE 4 HD1 PHE 4 -5.774 -8.976 -3.232 25 HD2 PHE 4 HD2 PHE 4 -8.527 -6.662 -5.583 26 HE1 PHE 4 HE1 PHE 4 -4.043 -8.692 -4.986 27 HE2 PHE 4 HE2 PHE 4 -6.798 -6.379 -7.334 28 HZ PHE 4 HZ PHE 4 -4.558 -7.394 -7.036 29 H SER 5 H SER 5 -7.812 -11.251 -4.781 30 HA SER 5 HA SER 5 -5.592 -11.895 -2.870 31 1HB SER 5 2HB SER 5 -6.349 -14.343 -3.863 32 2HB SER 5 1HB SER 5 -6.848 -13.698 -2.304 33 HG SER 5 HG SER 5 -8.754 -13.106 -3.151 34 H VAL 6 H VAL 6 -3.860 -13.134 -3.875 35 HA VAL 6 HA VAL 6 -3.702 -12.907 -6.858 36 HB VAL 6 HB VAL 6 -2.576 -11.064 -5.572 37 1HG1 VAL 6 1HG1 VAL 6 -0.508 -11.731 -4.308 38 2HG1 VAL 6 2HG1 VAL 6 -0.999 -13.415 -4.486 39 3HG1 VAL 6 3HG1 VAL 6 -2.001 -12.297 -3.560 40 1HG2 VAL 6 1HG2 VAL 6 -0.917 -13.038 -7.156 41 2HG2 VAL 6 2HG2 VAL 6 -0.260 -11.495 -6.608 42 3HG2 VAL 6 3HG2 VAL 6 -1.633 -11.527 -7.715 43 H SER 7 H SER 7 -2.240 -14.546 -7.804 44 HA SER 7 HA SER 7 -2.263 -17.059 -6.370 45 1HB SER 7 2HB SER 7 -2.334 -17.381 -8.643 46 2HB SER 7 1HB SER 7 -1.336 -15.974 -8.982 47 HG SER 7 HG SER 7 -0.310 -18.048 -9.365 48 HA PRO 8 HA PRO 8 2.335 -16.541 -5.638 49 1HB PRO 8 2HB PRO 8 3.833 -14.688 -6.950 50 2HB PRO 8 1HB PRO 8 3.449 -16.272 -7.654 51 1HG PRO 8 2HG PRO 8 2.300 -13.616 -8.256 52 2HG PRO 8 1HG PRO 8 2.541 -15.007 -9.317 53 1HD PRO 8 2HD PRO 8 0.113 -14.241 -8.162 54 2HD PRO 8 1HD PRO 8 0.487 -15.823 -8.870 55 H ALA 9 H ALA 9 3.854 -14.925 -4.442 56 HA ALA 9 HA ALA 9 2.923 -12.224 -3.920 57 1HB ALA 9 1HB ALA 9 1.395 -14.184 -2.791 58 2HB ALA 9 2HB ALA 9 1.577 -12.568 -2.108 59 3HB ALA 9 3HB ALA 9 2.567 -13.896 -1.507 60 H SER 10 H SER 10 5.394 -13.922 -4.366 61 HA SER 10 HA SER 10 7.219 -12.510 -2.675 62 1HB SER 10 2HB SER 10 6.400 -13.814 -0.867 63 2HB SER 10 1HB SER 10 6.297 -15.268 -1.854 64 HG SER 10 HG SER 10 8.394 -15.585 -1.621 65 H GLY 11 H GLY 11 9.494 -13.630 -2.848 66 1HA GLY 11 2HA GLY 11 11.159 -14.253 -4.407 67 2HA GLY 11 1HA GLY 11 10.169 -15.707 -4.554 68 H LEU 12 H LEU 12 9.127 -12.458 -5.464 69 HA LEU 12 HA LEU 12 8.322 -13.362 -8.110 70 1HB LEU 12 2HB LEU 12 8.494 -10.600 -6.881 71 2HB LEU 12 1HB LEU 12 7.531 -11.056 -8.288 72 HG LEU 12 HG LEU 12 7.201 -12.310 -5.554 73 1HD1 LEU 12 1HD1 LEU 12 6.674 -9.817 -5.717 74 2HD1 LEU 12 2HD1 LEU 12 5.354 -10.859 -5.187 75 3HD1 LEU 12 3HD1 LEU 12 5.396 -10.266 -6.847 76 1HD2 LEU 12 1HD2 LEU 12 6.458 -13.642 -7.525 77 2HD2 LEU 12 2HD2 LEU 12 5.430 -12.296 -8.019 78 3HD2 LEU 12 3HD2 LEU 12 5.106 -13.146 -6.508 79 H SER 13 H SER 13 8.965 -11.185 -9.717 80 HA SER 13 HA SER 13 11.885 -10.748 -9.654 81 1HB SER 13 2HB SER 13 10.523 -12.336 -11.844 82 2HB SER 13 1HB SER 13 12.221 -11.880 -11.821 83 HG SER 13 HG SER 13 10.836 -13.793 -10.345 84 H ASP 14 H ASP 14 12.546 -9.200 -11.353 85 HA ASP 14 HA ASP 14 10.666 -7.078 -11.778 86 1HB ASP 14 2HB ASP 14 13.223 -7.070 -11.665 87 2HB ASP 14 1HB ASP 14 13.196 -7.633 -13.336 88 H GLY 15 H GLY 15 9.084 -6.923 -13.311 89 1HA GLY 15 2HA GLY 15 8.189 -7.028 -15.530 90 2HA GLY 15 1HA GLY 15 9.508 -8.106 -15.975 91 H GLN 16 H GLN 16 8.924 -9.660 -13.435 92 HA GLN 16 HA GLN 16 7.469 -11.804 -14.504 93 1HB GLN 16 2HB GLN 16 8.898 -11.704 -12.435 94 2HB GLN 16 1HB GLN 16 7.559 -10.909 -11.613 95 1HG GLN 16 2HG GLN 16 6.494 -13.204 -12.906 96 2HG GLN 16 1HG GLN 16 7.957 -13.715 -12.065 97 1HE2 GLN 16 1HE2 GLN 16 5.615 -14.694 -11.021 98 2HE2 GLN 16 2HE2 GLN 16 5.214 -13.892 -9.584 99 H SER 17 H SER 17 5.287 -12.344 -14.554 100 HA SER 17 HA SER 17 3.372 -10.178 -13.785 101 1HB SER 17 2HB SER 17 1.979 -11.162 -15.548 102 2HB SER 17 1HB SER 17 3.588 -10.828 -16.183 103 HG SER 17 HG SER 17 2.787 -13.333 -15.104 104 H VAL 18 H VAL 18 1.614 -10.731 -12.454 105 HA VAL 18 HA VAL 18 1.637 -13.520 -11.348 106 HB VAL 18 HB VAL 18 0.734 -12.374 -9.299 107 1HG1 VAL 18 1HG1 VAL 18 3.281 -11.012 -10.158 108 2HG1 VAL 18 2HG1 VAL 18 3.243 -12.754 -9.890 109 3HG1 VAL 18 3HG1 VAL 18 2.852 -11.649 -8.570 110 1HG2 VAL 18 1HG2 VAL 18 0.174 -10.175 -9.313 111 2HG2 VAL 18 2HG2 VAL 18 0.196 -10.318 -11.071 112 3HG2 VAL 18 3HG2 VAL 18 1.621 -9.728 -10.216 113 H SER 19 H SER 19 -0.453 -14.454 -10.866 114 HA SER 19 HA SER 19 -2.622 -13.458 -12.632 115 1HB SER 19 2HB SER 19 -1.569 -15.955 -11.828 116 2HB SER 19 1HB SER 19 -3.181 -15.866 -11.125 117 HG SER 19 HG SER 19 -3.085 -16.693 -13.316 118 H VAL 20 H VAL 20 -3.779 -11.843 -11.552 119 HA VAL 20 HA VAL 20 -4.408 -12.243 -8.671 120 HB VAL 20 HB VAL 20 -4.561 -9.927 -10.608 121 1HG1 VAL 20 1HG1 VAL 20 -5.465 -10.075 -7.714 122 2HG1 VAL 20 2HG1 VAL 20 -6.498 -9.805 -9.118 123 3HG1 VAL 20 3HG1 VAL 20 -5.314 -8.585 -8.648 124 1HG2 VAL 20 1HG2 VAL 20 -2.811 -8.993 -9.272 125 2HG2 VAL 20 2HG2 VAL 20 -2.355 -10.674 -9.540 126 3HG2 VAL 20 3HG2 VAL 20 -3.052 -10.186 -7.995 127 H SER 21 H SER 21 -6.656 -11.719 -8.010 128 HA SER 21 HA SER 21 -8.785 -11.840 -10.000 129 1HB SER 21 2HB SER 21 -9.485 -14.057 -9.580 130 2HB SER 21 1HB SER 21 -7.730 -14.193 -9.661 131 HG SER 21 HG SER 21 -8.364 -15.220 -7.812 132 H VAL 22 H VAL 22 -10.375 -10.633 -9.113 133 HA VAL 22 HA VAL 22 -10.491 -10.382 -6.151 134 HB VAL 22 HB VAL 22 -11.711 -8.623 -8.287 135 1HG1 VAL 22 1HG1 VAL 22 -11.298 -8.494 -5.340 136 2HG1 VAL 22 2HG1 VAL 22 -12.619 -7.857 -6.317 137 3HG1 VAL 22 3HG1 VAL 22 -11.082 -6.996 -6.241 138 1HG2 VAL 22 1HG2 VAL 22 -9.397 -7.393 -7.250 139 2HG2 VAL 22 2HG2 VAL 22 -9.616 -8.027 -8.882 140 3HG2 VAL 22 3HG2 VAL 22 -8.918 -9.049 -7.624 141 H SER 23 H SER 23 -12.635 -10.418 -5.168 142 HA SER 23 HA SER 23 -14.868 -11.397 -6.870 143 1HB SER 23 2HB SER 23 -14.276 -13.518 -6.305 144 2HB SER 23 1HB SER 23 -13.201 -12.966 -5.024 145 HG SER 23 HG SER 23 -15.065 -14.137 -4.272 146 H GLY 24 H GLY 24 -16.930 -11.490 -5.561 147 1HA GLY 24 2HA GLY 24 -18.245 -10.815 -3.656 148 2HA GLY 24 1HA GLY 24 -16.858 -9.905 -3.060 149 H ALA 25 H ALA 25 -16.195 -8.410 -5.313 150 HA ALA 25 HA ALA 25 -17.812 -6.134 -5.155 151 1HB ALA 25 1HB ALA 25 -15.768 -5.835 -6.217 152 2HB ALA 25 2HB ALA 25 -16.831 -5.882 -7.623 153 3HB ALA 25 3HB ALA 25 -15.925 -7.321 -7.152 154 H ALA 26 H ALA 26 -18.926 -5.303 -7.414 155 HA ALA 26 HA ALA 26 -20.845 -7.448 -8.267 156 1HB ALA 26 1HB ALA 26 -21.861 -4.703 -8.216 157 2HB ALA 26 2HB ALA 26 -21.333 -5.267 -6.633 158 3HB ALA 26 3HB ALA 26 -22.558 -6.169 -7.527 159 H ALA 27 H ALA 27 -21.475 -7.374 -10.447 160 HA ALA 27 HA ALA 27 -19.737 -6.482 -12.435 161 1HB ALA 27 1HB ALA 27 -21.371 -7.306 -13.815 162 2HB ALA 27 2HB ALA 27 -22.643 -6.371 -13.028 163 3HB ALA 27 3HB ALA 27 -22.063 -7.865 -12.294 164 H GLY 28 H GLY 28 -19.254 -4.489 -13.282 165 1HA GLY 28 2HA GLY 28 -19.982 -2.322 -14.164 166 2HA GLY 28 1HA GLY 28 -21.208 -2.282 -12.902 167 H GLU 29 H GLU 29 -18.656 -3.479 -11.313 168 HA GLU 29 HA GLU 29 -17.877 -0.789 -10.310 169 1HB GLU 29 2HB GLU 29 -17.600 -3.626 -9.283 170 2HB GLU 29 1HB GLU 29 -16.948 -2.223 -8.436 171 1HG GLU 29 2HG GLU 29 -19.612 -1.557 -9.091 172 2HG GLU 29 1HG GLU 29 -19.662 -3.209 -8.473 173 H THR 30 H THR 30 -15.709 -0.114 -10.316 174 HA THR 30 HA THR 30 -13.731 -1.919 -11.668 175 HB THR 30 HB THR 30 -13.812 1.063 -12.072 176 HG1 THR 30 HG1 THR 30 -15.367 0.878 -13.519 177 1HG2 THR 30 1HG2 THR 30 -12.569 -1.322 -13.337 178 2HG2 THR 30 2HG2 THR 30 -11.921 0.303 -13.123 179 3HG2 THR 30 3HG2 THR 30 -13.071 -0.024 -14.419 180 H TYR 31 H TYR 31 -11.914 -2.146 -10.425 181 HA TYR 31 HA TYR 31 -11.392 -0.106 -8.300 182 1HB TYR 31 2HB TYR 31 -10.539 -3.005 -8.550 183 2HB TYR 31 1HB TYR 31 -10.308 -1.974 -7.138 184 HD1 TYR 31 HD1 TYR 31 -12.750 -3.844 -9.155 185 HD2 TYR 31 HD2 TYR 31 -12.190 -1.334 -5.717 186 HE1 TYR 31 HE1 TYR 31 -15.012 -4.453 -8.343 187 HE2 TYR 31 HE2 TYR 31 -14.451 -1.941 -4.904 188 HH TYR 31 HH TYR 31 -16.773 -3.018 -6.569 189 H TYR 32 H TYR 32 -9.220 0.643 -8.043 190 HA TYR 32 HA TYR 32 -7.511 0.273 -10.466 191 1HB TYR 32 2HB TYR 32 -7.485 2.333 -8.219 192 2HB TYR 32 1HB TYR 32 -6.498 2.395 -9.676 193 HD1 TYR 32 HD1 TYR 32 -7.299 3.492 -11.583 194 HD2 TYR 32 HD2 TYR 32 -10.078 2.194 -8.575 195 HE1 TYR 32 HE1 TYR 32 -9.140 4.639 -12.785 196 HE2 TYR 32 HE2 TYR 32 -11.918 3.339 -9.777 197 HH TYR 32 HH TYR 32 -12.230 5.129 -11.375 198 H ILE 33 H ILE 33 -5.576 -0.844 -10.211 199 HA ILE 33 HA ILE 33 -4.691 -1.395 -7.399 200 HB ILE 33 HB ILE 33 -5.679 -3.335 -8.527 201 1HG1 ILE 33 2HG1 ILE 33 -2.699 -3.770 -8.630 202 2HG1 ILE 33 1HG1 ILE 33 -3.500 -3.439 -7.093 203 1HG2 ILE 33 1HG2 ILE 33 -3.608 -2.704 -10.649 204 2HG2 ILE 33 2HG2 ILE 33 -5.361 -2.722 -10.842 205 3HG2 ILE 33 3HG2 ILE 33 -4.489 -4.230 -10.569 206 1HD1 ILE 33 1HD1 ILE 33 -4.450 -5.489 -7.016 207 2HD1 ILE 33 2HD1 ILE 33 -3.262 -5.934 -8.240 208 3HD1 ILE 33 3HD1 ILE 33 -4.888 -5.447 -8.722 209 H ALA 34 H ALA 34 -2.475 -1.323 -6.993 210 HA ALA 34 HA ALA 34 -0.528 -0.883 -9.149 211 1HB ALA 34 1HB ALA 34 -1.643 1.270 -7.379 212 2HB ALA 34 2HB ALA 34 -1.227 1.344 -9.092 213 3HB ALA 34 3HB ALA 34 0.047 1.368 -7.873 214 H GLN 35 H GLN 35 1.566 -1.380 -8.385 215 HA GLN 35 HA GLN 35 1.717 -2.605 -5.722 216 1HB GLN 35 2HB GLN 35 4.057 -3.104 -6.544 217 2HB GLN 35 1HB GLN 35 2.774 -3.673 -7.614 218 1HG GLN 35 2HG GLN 35 3.390 -2.269 -9.281 219 2HG GLN 35 1HG GLN 35 3.609 -0.916 -8.173 220 1HE2 GLN 35 1HE2 GLN 35 5.278 -4.021 -7.756 221 2HE2 GLN 35 2HE2 GLN 35 6.832 -3.426 -8.091 222 H CYS 36 H CYS 36 2.219 -1.428 -3.940 223 HA CYS 36 HA CYS 36 4.033 0.936 -4.254 224 1HB CYS 36 2HB CYS 36 1.981 0.815 -2.069 225 2HB CYS 36 1HB CYS 36 2.595 2.215 -2.934 226 H ALA 37 H ALA 37 5.733 1.009 -2.772 227 HA ALA 37 HA ALA 37 5.763 -1.083 -0.629 228 1HB ALA 37 1HB ALA 37 7.261 -1.443 -2.615 229 2HB ALA 37 2HB ALA 37 8.144 -1.293 -1.095 230 3HB ALA 37 3HB ALA 37 8.078 0.067 -2.215 231 HA PRO 38 HA PRO 38 6.268 2.363 2.082 232 1HB PRO 38 2HB PRO 38 7.202 1.021 4.268 233 2HB PRO 38 1HB PRO 38 5.505 0.979 3.760 234 1HG PRO 38 2HG PRO 38 7.660 -1.031 3.309 235 2HG PRO 38 1HG PRO 38 5.954 -1.282 3.722 236 1HD PRO 38 2HD PRO 38 6.924 -1.577 1.194 237 2HD PRO 38 1HD PRO 38 5.257 -1.068 1.542 238 H VAL 39 H VAL 39 8.026 3.468 3.286 239 HA VAL 39 HA VAL 39 10.779 2.484 2.745 240 HB VAL 39 HB VAL 39 9.930 3.818 0.788 241 1HG1 VAL 39 1HG1 VAL 39 10.192 6.307 2.400 242 2HG1 VAL 39 2HG1 VAL 39 8.710 5.376 2.617 243 3HG1 VAL 39 3HG1 VAL 39 9.154 5.970 1.017 244 1HG2 VAL 39 1HG2 VAL 39 12.235 3.899 0.820 245 2HG2 VAL 39 2HG2 VAL 39 12.293 4.549 2.460 246 3HG2 VAL 39 3HG2 VAL 39 11.901 5.607 1.105 247 H GLY 40 H GLY 40 10.067 2.421 5.231 248 1HA GLY 40 2HA GLY 40 10.151 3.408 7.384 249 2HA GLY 40 1HA GLY 40 11.696 3.998 6.769 250 H GLY 41 H GLY 41 8.313 4.864 5.990 251 1HA GLY 41 2HA GLY 41 8.306 7.384 7.297 252 2HA GLY 41 1HA GLY 41 8.882 7.638 5.648 253 H GLN 42 H GLN 42 7.462 6.692 3.899 254 HA GLN 42 HA GLN 42 4.581 6.627 4.709 255 1HB GLN 42 2HB GLN 42 5.820 8.160 2.403 256 2HB GLN 42 1HB GLN 42 4.108 8.132 2.821 257 1HG GLN 42 2HG GLN 42 6.253 9.054 4.745 258 2HG GLN 42 1HG GLN 42 5.402 10.155 3.660 259 1HE2 GLN 42 1HE2 GLN 42 4.309 11.253 5.438 260 2HE2 GLN 42 2HE2 GLN 42 3.074 10.497 6.323 261 H ASP 43 H ASP 43 3.638 6.407 2.025 262 HA ASP 43 HA ASP 43 4.814 3.765 1.220 263 1HB ASP 43 2HB ASP 43 2.220 4.544 2.069 264 2HB ASP 43 1HB ASP 43 2.101 4.184 0.346 265 H ALA 44 H ALA 44 5.800 3.901 -0.754 266 HA ALA 44 HA ALA 44 4.954 6.049 -2.658 267 1HB ALA 44 1HB ALA 44 7.239 4.908 -3.649 268 2HB ALA 44 2HB ALA 44 7.437 4.616 -1.922 269 3HB ALA 44 3HB ALA 44 7.229 6.262 -2.519 270 H CYS 45 H CYS 45 4.059 5.445 -4.659 271 HA CYS 45 HA CYS 45 4.011 2.505 -5.263 272 1HB CYS 45 2HB CYS 45 1.909 3.763 -4.311 273 2HB CYS 45 1HB CYS 45 1.763 4.368 -5.960 274 H ASN 46 H ASN 46 3.804 1.992 -7.561 275 HA ASN 46 HA ASN 46 5.219 3.948 -9.264 276 1HB ASN 46 2HB ASN 46 5.600 1.390 -9.015 277 2HB ASN 46 1HB ASN 46 4.178 1.226 -10.046 278 1HD2 ASN 46 1HD2 ASN 46 4.356 2.908 -12.058 279 2HD2 ASN 46 2HD2 ASN 46 5.851 2.857 -12.861 280 HA PRO 47 HA PRO 47 1.364 5.244 -11.030 281 1HB PRO 47 2HB PRO 47 2.398 6.972 -12.860 282 2HB PRO 47 1HB PRO 47 2.294 7.348 -11.131 283 1HG PRO 47 2HG PRO 47 4.642 6.546 -12.750 284 2HG PRO 47 1HG PRO 47 4.552 7.601 -11.333 285 1HD PRO 47 2HD PRO 47 5.403 4.945 -11.326 286 2HD PRO 47 1HD PRO 47 4.900 5.877 -9.898 287 H ALA 48 H ALA 48 3.997 4.860 -13.418 288 HA ALA 48 HA ALA 48 2.673 4.280 -15.739 289 1HB ALA 48 1HB ALA 48 5.101 4.267 -15.455 290 2HB ALA 48 2HB ALA 48 4.592 2.769 -16.233 291 3HB ALA 48 3HB ALA 48 5.003 2.777 -14.518 292 H THR 49 H THR 49 2.755 2.195 -12.901 293 HA THR 49 HA THR 49 1.393 0.011 -14.395 294 HB THR 49 HB THR 49 1.729 -1.124 -12.126 295 HG1 THR 49 HG1 THR 49 2.017 0.509 -10.745 296 1HG2 THR 49 1HG2 THR 49 4.142 -1.441 -12.513 297 2HG2 THR 49 2HG2 THR 49 4.154 -0.028 -13.569 298 3HG2 THR 49 3HG2 THR 49 3.247 -1.468 -14.032 299 H ALA 50 H ALA 50 -0.214 2.273 -14.214 300 HA ALA 50 HA ALA 50 -2.038 1.840 -11.894 301 1HB ALA 50 1HB ALA 50 -1.156 4.110 -12.544 302 2HB ALA 50 2HB ALA 50 -2.917 4.016 -12.540 303 3HB ALA 50 3HB ALA 50 -2.036 3.958 -14.065 304 H THR 51 H THR 51 -2.811 -0.250 -12.866 305 HA THR 51 HA THR 51 -4.482 0.069 -15.314 306 HB THR 51 HB THR 51 -2.780 -1.753 -15.077 307 HG1 THR 51 HG1 THR 51 -5.445 -2.711 -15.095 308 1HG2 THR 51 1HG2 THR 51 -2.708 -3.099 -13.265 309 2HG2 THR 51 2HG2 THR 51 -4.452 -3.362 -13.298 310 3HG2 THR 51 3HG2 THR 51 -3.790 -1.933 -12.503 311 H SER 52 H SER 52 -6.708 -0.087 -15.218 312 HA SER 52 HA SER 52 -7.928 -0.515 -12.512 313 1HB SER 52 2HB SER 52 -8.716 1.563 -12.996 314 2HB SER 52 1HB SER 52 -8.236 1.434 -14.686 315 HG SER 52 HG SER 52 -10.357 1.344 -14.893 316 H PHE 53 H PHE 53 -9.007 -2.447 -12.372 317 HA PHE 53 HA PHE 53 -10.042 -3.663 -14.920 318 1HB PHE 53 2HB PHE 53 -9.799 -5.791 -13.698 319 2HB PHE 53 1HB PHE 53 -8.283 -4.891 -13.694 320 HD1 PHE 53 HD1 PHE 53 -11.363 -5.509 -11.665 321 HD2 PHE 53 HD2 PHE 53 -7.234 -4.319 -11.666 322 HE1 PHE 53 HE1 PHE 53 -11.356 -5.528 -9.185 323 HE2 PHE 53 HE2 PHE 53 -7.228 -4.336 -9.185 324 HZ PHE 53 HZ PHE 53 -9.289 -4.942 -7.945 325 H THR 54 H THR 54 -12.109 -4.871 -14.722 326 HA THR 54 HA THR 54 -13.893 -3.778 -12.564 327 HB THR 54 HB THR 54 -14.277 -4.127 -15.543 328 HG1 THR 54 HG1 THR 54 -13.499 -2.154 -15.062 329 1HG2 THR 54 1HG2 THR 54 -16.345 -4.902 -14.838 330 2HG2 THR 54 2HG2 THR 54 -16.642 -3.164 -14.859 331 3HG2 THR 54 3HG2 THR 54 -16.293 -3.979 -13.334 332 H THR 55 H THR 55 -15.710 -5.209 -12.012 333 HA THR 55 HA THR 55 -14.977 -8.055 -12.095 334 HB THR 55 HB THR 55 -17.268 -8.082 -10.806 335 HG1 THR 55 HG1 THR 55 -18.199 -6.220 -10.851 336 1HG2 THR 55 1HG2 THR 55 -15.719 -8.289 -9.187 337 2HG2 THR 55 2HG2 THR 55 -15.773 -6.537 -9.019 338 3HG2 THR 55 3HG2 THR 55 -14.572 -7.283 -10.073 339 H ASP 56 H ASP 56 -17.072 -9.531 -12.446 340 HA ASP 56 HA ASP 56 -18.104 -8.856 -15.171 341 1HB ASP 56 2HB ASP 56 -17.915 -11.496 -13.686 342 2HB ASP 56 1HB ASP 56 -18.315 -11.285 -15.393 343 H ALA 57 H ALA 57 -20.251 -10.686 -15.180 344 HA ALA 57 HA ALA 57 -22.335 -9.173 -13.922 345 1HB ALA 57 1HB ALA 57 -22.211 -11.991 -15.033 346 2HB ALA 57 2HB ALA 57 -22.656 -10.536 -15.923 347 3HB ALA 57 3HB ALA 57 -23.709 -11.145 -14.646 348 H SER 58 H SER 58 -20.469 -11.966 -12.899 349 HA SER 58 HA SER 58 -22.198 -12.429 -10.545 350 1HB SER 58 2HB SER 58 -21.336 -14.362 -11.664 351 2HB SER 58 1HB SER 58 -19.709 -13.692 -11.718 352 HG SER 58 HG SER 58 -21.017 -15.029 -9.710 353 H GLY 59 H GLY 59 -20.165 -10.057 -11.190 354 1HA GLY 59 2HA GLY 59 -18.862 -8.626 -9.873 355 2HA GLY 59 1HA GLY 59 -19.559 -9.432 -8.476 356 H ALA 60 H ALA 60 -17.535 -10.797 -11.064 357 HA ALA 60 HA ALA 60 -15.403 -11.325 -9.029 358 1HB ALA 60 1HB ALA 60 -16.834 -13.237 -10.886 359 2HB ALA 60 2HB ALA 60 -16.689 -13.337 -9.132 360 3HB ALA 60 3HB ALA 60 -15.280 -13.633 -10.151 361 H ALA 61 H ALA 61 -13.517 -10.485 -9.845 362 HA ALA 61 HA ALA 61 -13.210 -10.328 -12.818 363 1HB ALA 61 1HB ALA 61 -13.263 -8.278 -11.219 364 2HB ALA 61 2HB ALA 61 -11.986 -8.346 -12.434 365 3HB ALA 61 3HB ALA 61 -11.637 -8.784 -10.762 366 H SER 62 H SER 62 -10.948 -10.561 -13.601 367 HA SER 62 HA SER 62 -8.968 -11.924 -11.930 368 1HB SER 62 2HB SER 62 -9.770 -13.607 -14.211 369 2HB SER 62 1HB SER 62 -9.406 -14.075 -12.554 370 HG SER 62 HG SER 62 -11.701 -14.185 -13.455 371 H PHE 63 H PHE 63 -7.066 -11.091 -12.742 372 HA PHE 63 HA PHE 63 -6.625 -11.080 -15.656 373 1HB PHE 63 2HB PHE 63 -6.263 -8.643 -15.710 374 2HB PHE 63 1HB PHE 63 -7.898 -9.010 -15.162 375 HD1 PHE 63 HD1 PHE 63 -4.995 -7.141 -14.454 376 HD2 PHE 63 HD2 PHE 63 -8.135 -9.345 -12.514 377 HE1 PHE 63 HE1 PHE 63 -4.562 -5.899 -12.350 378 HE2 PHE 63 HE2 PHE 63 -7.697 -8.101 -10.410 379 HZ PHE 63 HZ PHE 63 -5.917 -6.381 -10.329 380 H SER 64 H SER 64 -4.352 -10.395 -16.156 381 HA SER 64 HA SER 64 -2.527 -11.243 -13.966 382 1HB SER 64 2HB SER 64 -1.881 -10.691 -16.862 383 2HB SER 64 1HB SER 64 -1.020 -11.743 -15.743 384 HG SER 64 HG SER 64 -3.218 -12.232 -17.291 385 H PHE 65 H PHE 65 -1.277 -9.751 -12.928 386 HA PHE 65 HA PHE 65 -1.057 -7.020 -14.115 387 1HB PHE 65 2HB PHE 65 -2.355 -7.024 -12.098 388 2HB PHE 65 1HB PHE 65 -1.192 -8.071 -11.285 389 HD1 PHE 65 HD1 PHE 65 -1.221 -4.816 -13.146 390 HD2 PHE 65 HD2 PHE 65 0.284 -7.064 -9.814 391 HE1 PHE 65 HE1 PHE 65 0.036 -2.829 -12.376 392 HE2 PHE 65 HE2 PHE 65 1.541 -5.080 -9.041 393 HZ PHE 65 HZ PHE 65 1.424 -2.956 -10.321 394 H VAL 66 H VAL 66 1.024 -6.343 -14.582 395 HA VAL 66 HA VAL 66 3.271 -8.141 -14.009 396 HB VAL 66 HB VAL 66 3.265 -5.370 -15.217 397 1HG1 VAL 66 1HG1 VAL 66 5.152 -6.636 -16.560 398 2HG1 VAL 66 2HG1 VAL 66 5.157 -7.696 -15.149 399 3HG1 VAL 66 3HG1 VAL 66 5.498 -5.976 -14.960 400 1HG2 VAL 66 1HG2 VAL 66 2.881 -8.027 -16.630 401 2HG2 VAL 66 2HG2 VAL 66 2.886 -6.430 -17.375 402 3HG2 VAL 66 3HG2 VAL 66 1.576 -6.891 -16.289 403 H VAL 67 H VAL 67 5.258 -7.320 -12.970 404 HA VAL 67 HA VAL 67 4.773 -5.145 -10.971 405 HB VAL 67 HB VAL 67 5.950 -6.683 -9.335 406 1HG1 VAL 67 1HG1 VAL 67 3.276 -6.610 -10.175 407 2HG1 VAL 67 2HG1 VAL 67 3.879 -7.275 -8.657 408 3HG1 VAL 67 3HG1 VAL 67 3.659 -8.328 -10.055 409 1HG2 VAL 67 1HG2 VAL 67 6.680 -8.091 -11.530 410 2HG2 VAL 67 2HG2 VAL 67 5.242 -8.998 -11.061 411 3HG2 VAL 67 3HG2 VAL 67 6.577 -8.812 -9.924 412 H ARG 68 H ARG 68 6.918 -4.424 -9.985 413 HA ARG 68 HA ARG 68 9.235 -4.885 -11.819 414 1HB ARG 68 2HB ARG 68 7.856 -2.327 -11.019 415 2HB ARG 68 1HB ARG 68 9.548 -2.318 -11.525 416 1HG ARG 68 2HG ARG 68 9.025 -3.156 -13.682 417 2HG ARG 68 1HG ARG 68 7.406 -3.649 -13.184 418 1HD ARG 68 2HD ARG 68 6.967 -1.649 -14.344 419 2HD ARG 68 1HD ARG 68 7.106 -1.070 -12.670 420 HE ARG 68 HE ARG 68 9.301 -0.220 -13.173 421 1HH1 ARG 68 1HH1 ARG 68 7.434 -0.450 -15.873 422 2HH1 ARG 68 2HH1 ARG 68 8.731 -0.563 -17.015 423 1HH2 ARG 68 1HH2 ARG 68 11.173 -1.013 -14.597 424 2HH2 ARG 68 2HH2 ARG 68 10.848 -0.883 -16.293 425 H LYS 69 H LYS 69 10.619 -5.873 -10.364 426 HA LYS 69 HA LYS 69 10.801 -5.716 -7.616 427 1HB LYS 69 2HB LYS 69 12.149 -7.091 -9.250 428 2HB LYS 69 1HB LYS 69 13.156 -5.670 -9.523 429 1HG LYS 69 2HG LYS 69 12.969 -5.935 -6.725 430 2HG LYS 69 1HG LYS 69 13.248 -7.565 -7.340 431 1HD LYS 69 2HD LYS 69 14.877 -5.353 -8.507 432 2HD LYS 69 1HD LYS 69 15.273 -5.883 -6.873 433 1HE LYS 69 2HE LYS 69 14.922 -7.879 -9.123 434 2HE LYS 69 1HE LYS 69 16.486 -7.109 -8.790 435 1HZ LYS 69 1HZ LYS 69 14.821 -8.550 -6.795 436 2HZ LYS 69 2HZ LYS 69 16.324 -7.816 -6.493 437 3HZ LYS 69 3HZ LYS 69 16.224 -9.164 -7.522 438 H SER 70 H SER 70 12.595 -3.541 -9.851 439 HA SER 70 HA SER 70 12.909 -1.637 -7.557 440 1HB SER 70 2HB SER 70 14.729 -0.824 -9.346 441 2HB SER 70 1HB SER 70 15.057 -2.139 -8.222 442 HG SER 70 HG SER 70 15.455 -3.120 -10.071 443 H TYR 71 H TYR 71 12.280 0.513 -7.838 444 HA TYR 71 HA TYR 71 11.655 1.712 -10.387 445 1HB TYR 71 2HB TYR 71 9.269 1.532 -10.365 446 2HB TYR 71 1HB TYR 71 9.861 -0.091 -10.012 447 HD1 TYR 71 HD1 TYR 71 8.549 3.028 -8.442 448 HD2 TYR 71 HD2 TYR 71 9.369 -1.160 -7.941 449 HE1 TYR 71 HE1 TYR 71 7.313 3.042 -6.291 450 HE2 TYR 71 HE2 TYR 71 8.132 -1.144 -5.791 451 HH TYR 71 HH TYR 71 6.149 1.467 -4.828 452 H THR 72 H THR 72 11.443 3.943 -10.085 453 HA THR 72 HA THR 72 12.069 5.102 -7.551 454 HB THR 72 HB THR 72 10.581 6.636 -9.627 455 HG1 THR 72 HG1 THR 72 12.281 6.484 -11.044 456 1HG2 THR 72 1HG2 THR 72 12.165 8.319 -9.122 457 2HG2 THR 72 2HG2 THR 72 13.303 7.157 -8.442 458 3HG2 THR 72 3HG2 THR 72 11.825 7.558 -7.569 459 H GLY 73 H GLY 73 10.750 5.502 -5.825 460 1HA GLY 73 2HA GLY 73 7.918 4.850 -5.965 461 2HA GLY 73 1HA GLY 73 8.771 5.462 -4.547 462 H SER 74 H SER 74 6.223 6.408 -5.303 463 HA SER 74 HA SER 74 6.614 9.243 -5.239 464 1HB SER 74 2HB SER 74 7.382 8.990 -7.506 465 2HB SER 74 1HB SER 74 6.037 7.929 -7.911 466 HG SER 74 HG SER 74 6.162 10.684 -7.726 467 H THR 75 H THR 75 4.636 10.224 -4.698 468 HA THR 75 HA THR 75 2.363 8.463 -4.158 469 HB THR 75 HB THR 75 1.443 10.515 -3.174 470 HG1 THR 75 HG1 THR 75 3.711 11.919 -4.031 471 1HG2 THR 75 1HG2 THR 75 3.774 9.241 -2.406 472 2HG2 THR 75 2HG2 THR 75 2.861 10.387 -1.423 473 3HG2 THR 75 3HG2 THR 75 4.229 10.944 -2.389 474 HA PRO 76 HA PRO 76 0.005 9.267 -7.762 475 1HB PRO 76 2HB PRO 76 -2.543 9.366 -6.764 476 2HB PRO 76 1HB PRO 76 -1.608 7.859 -6.905 477 1HG PRO 76 2HG PRO 76 -2.147 9.536 -4.511 478 2HG PRO 76 1HG PRO 76 -2.009 7.776 -4.654 479 1HD PRO 76 2HD PRO 76 -0.020 9.416 -3.681 480 2HD PRO 76 1HD PRO 76 0.259 7.810 -4.383 481 H GLU 77 H GLU 77 -0.161 11.502 -5.087 482 HA GLU 77 HA GLU 77 -1.867 13.525 -6.164 483 1HB GLU 77 2HB GLU 77 -0.388 13.064 -3.879 484 2HB GLU 77 1HB GLU 77 0.453 14.433 -4.605 485 1HG GLU 77 2HG GLU 77 -1.876 15.496 -4.889 486 2HG GLU 77 1HG GLU 77 -2.447 14.252 -3.778 487 H GLY 78 H GLY 78 1.672 13.853 -5.922 488 1HA GLY 78 2HA GLY 78 2.412 14.165 -8.568 489 2HA GLY 78 1HA GLY 78 1.718 15.732 -8.148 490 H THR 79 H THR 79 3.514 13.632 -5.938 491 HA THR 79 HA THR 79 5.797 15.556 -6.012 492 HB THR 79 HB THR 79 4.052 16.065 -4.232 493 HG1 THR 79 HG1 THR 79 6.674 15.315 -3.466 494 1HG2 THR 79 1HG2 THR 79 5.089 13.443 -3.125 495 2HG2 THR 79 2HG2 THR 79 3.452 13.744 -3.708 496 3HG2 THR 79 3HG2 THR 79 4.040 14.568 -2.264 497 HA PRO 80 HA PRO 80 7.985 11.723 -5.980 498 1HB PRO 80 2HB PRO 80 10.488 12.740 -5.563 499 2HB PRO 80 1HB PRO 80 9.652 12.835 -7.126 500 1HG PRO 80 2HG PRO 80 9.988 14.922 -5.032 501 2HG PRO 80 1HG PRO 80 10.003 15.078 -6.796 502 1HD PRO 80 2HD PRO 80 7.856 15.736 -5.225 503 2HD PRO 80 1HD PRO 80 7.727 15.250 -6.929 504 H VAL 81 H VAL 81 8.507 10.281 -4.358 505 HA VAL 81 HA VAL 81 8.765 11.369 -1.585 506 HB VAL 81 HB VAL 81 7.895 8.691 -2.678 507 1HG1 VAL 81 1HG1 VAL 81 8.281 9.744 0.111 508 2HG1 VAL 81 2HG1 VAL 81 8.756 8.183 -0.556 509 3HG1 VAL 81 3HG1 VAL 81 7.060 8.513 -0.209 510 1HG2 VAL 81 1HG2 VAL 81 5.760 9.701 -1.355 511 2HG2 VAL 81 2HG2 VAL 81 6.029 9.953 -3.080 512 3HG2 VAL 81 3HG2 VAL 81 6.503 11.197 -1.922 513 H GLY 82 H GLY 82 10.276 9.393 -4.036 514 1HA GLY 82 2HA GLY 82 12.873 9.488 -3.499 515 2HA GLY 82 1HA GLY 82 12.370 8.469 -2.150 516 H SER 83 H SER 83 14.047 7.164 -3.625 517 HA SER 83 HA SER 83 12.668 5.752 -5.839 518 1HB SER 83 2HB SER 83 15.452 5.361 -4.728 519 2HB SER 83 1HB SER 83 14.874 4.936 -6.336 520 HG SER 83 HG SER 83 15.614 6.855 -6.809 521 H VAL 84 H VAL 84 12.548 3.380 -5.819 522 HA VAL 84 HA VAL 84 12.578 2.205 -3.058 523 HB VAL 84 HB VAL 84 10.557 2.151 -5.293 524 1HG1 VAL 84 1HG1 VAL 84 9.582 0.355 -3.441 525 2HG1 VAL 84 2HG1 VAL 84 11.291 -0.070 -3.505 526 3HG1 VAL 84 3HG1 VAL 84 10.323 -0.088 -4.980 527 1HG2 VAL 84 1HG2 VAL 84 10.144 2.323 -2.303 528 2HG2 VAL 84 2HG2 VAL 84 9.045 2.830 -3.586 529 3HG2 VAL 84 3HG2 VAL 84 10.519 3.747 -3.274 530 H ASP 85 H ASP 85 13.184 -0.030 -2.959 531 HA ASP 85 HA ASP 85 14.044 -1.366 -5.471 532 1HB ASP 85 2HB ASP 85 16.322 -1.649 -4.605 533 2HB ASP 85 1HB ASP 85 15.915 0.067 -4.650 534 H CYS 86 H CYS 86 12.810 -3.217 -5.174 535 HA CYS 86 HA CYS 86 12.329 -4.411 -2.570 536 1HB CYS 86 2HB CYS 86 11.257 -4.484 -5.139 537 2HB CYS 86 1HB CYS 86 11.917 -6.104 -4.909 538 H ALA 87 H ALA 87 15.035 -4.436 -4.564 539 HA ALA 87 HA ALA 87 15.968 -7.067 -4.684 540 1HB ALA 87 1HB ALA 87 18.205 -5.644 -4.004 541 2HB ALA 87 2HB ALA 87 17.103 -4.344 -4.458 542 3HB ALA 87 3HB ALA 87 17.481 -5.621 -5.613 543 H THR 88 H THR 88 15.969 -4.836 -1.952 544 HA THR 88 HA THR 88 16.393 -7.147 -0.115 545 HB THR 88 HB THR 88 18.568 -6.180 -0.364 546 HG1 THR 88 HG1 THR 88 18.761 -6.045 1.704 547 1HG2 THR 88 1HG2 THR 88 18.430 -3.496 0.271 548 2HG2 THR 88 2HG2 THR 88 17.000 -3.733 -0.733 549 3HG2 THR 88 3HG2 THR 88 18.595 -4.151 -1.358 550 H ALA 89 H ALA 89 14.344 -4.827 -1.046 551 HA ALA 89 HA ALA 89 13.587 -3.940 1.701 552 1HB ALA 89 1HB ALA 89 14.073 -2.374 -0.302 553 2HB ALA 89 2HB ALA 89 12.595 -2.080 0.617 554 3HB ALA 89 3HB ALA 89 12.518 -2.924 -0.929 555 H ALA 90 H ALA 90 11.083 -3.691 1.901 556 HA ALA 90 HA ALA 90 9.818 -6.215 0.892 557 1HB ALA 90 1HB ALA 90 8.969 -4.479 3.221 558 2HB ALA 90 2HB ALA 90 10.207 -5.725 3.382 559 3HB ALA 90 3HB ALA 90 8.562 -6.171 2.927 560 H CYS 91 H CYS 91 8.567 -5.720 -0.895 561 HA CYS 91 HA CYS 91 7.102 -3.120 -0.958 562 1HB CYS 91 2HB CYS 91 7.378 -5.200 -3.138 563 2HB CYS 91 1HB CYS 91 7.015 -3.484 -3.321 564 H ASN 92 H ASN 92 4.823 -3.290 -1.932 565 HA ASN 92 HA ASN 92 3.427 -5.857 -1.399 566 1HB ASN 92 2HB ASN 92 2.833 -3.247 0.035 567 2HB ASN 92 1HB ASN 92 1.915 -4.744 0.210 568 1HD2 ASN 92 1HD2 ASN 92 4.299 -2.973 1.713 569 2HD2 ASN 92 2HD2 ASN 92 5.110 -4.226 2.522 570 H LEU 93 H LEU 93 1.153 -5.747 -2.178 571 HA LEU 93 HA LEU 93 0.794 -3.679 -4.319 572 1HB LEU 93 2HB LEU 93 0.984 -5.873 -5.245 573 2HB LEU 93 1HB LEU 93 -0.024 -6.574 -3.978 574 HG LEU 93 HG LEU 93 -1.974 -5.305 -4.843 575 1HD1 LEU 93 1HD1 LEU 93 -1.470 -3.461 -6.058 576 2HD1 LEU 93 2HD1 LEU 93 -1.232 -4.565 -7.409 577 3HD1 LEU 93 3HD1 LEU 93 0.146 -4.052 -6.436 578 1HD2 LEU 93 1HD2 LEU 93 -1.663 -6.473 -7.316 579 2HD2 LEU 93 2HD2 LEU 93 -2.168 -7.335 -5.862 580 3HD2 LEU 93 3HD2 LEU 93 -0.473 -7.351 -6.353 581 H GLY 94 H GLY 94 -1.260 -2.612 -4.425 582 1HA GLY 94 2HA GLY 94 -3.274 -3.348 -2.359 583 2HA GLY 94 1HA GLY 94 -2.674 -1.690 -2.389 584 H ALA 95 H ALA 95 -5.423 -2.670 -2.891 585 HA ALA 95 HA ALA 95 -5.791 -1.382 -5.567 586 1HB ALA 95 1HB ALA 95 -6.242 -4.164 -4.771 587 2HB ALA 95 2HB ALA 95 -6.164 -3.463 -6.388 588 3HB ALA 95 3HB ALA 95 -7.676 -3.420 -5.480 589 H GLY 96 H GLY 96 -8.293 -1.027 -5.881 590 1HA GLY 96 2HA GLY 96 -10.416 -0.918 -4.405 591 2HA GLY 96 1HA GLY 96 -9.380 -0.043 -3.278 592 H ASN 97 H ASN 97 -11.810 0.837 -4.856 593 HA ASN 97 HA ASN 97 -10.708 2.855 -6.702 594 1HB ASN 97 2HB ASN 97 -13.039 3.214 -7.240 595 2HB ASN 97 1HB ASN 97 -12.791 1.476 -7.090 596 1HD2 ASN 97 1HD2 ASN 97 -15.082 3.630 -6.375 597 2HD2 ASN 97 2HD2 ASN 97 -15.644 3.034 -4.888 598 H SER 98 H SER 98 -12.459 4.978 -6.246 599 HA SER 98 HA SER 98 -11.178 6.486 -4.214 600 1HB SER 98 2HB SER 98 -13.443 7.822 -4.528 601 2HB SER 98 1HB SER 98 -12.285 7.715 -5.850 602 HG SER 98 HG SER 98 -14.663 7.111 -6.151 603 H GLY 99 H GLY 99 -13.815 4.197 -4.004 604 1HA GLY 99 2HA GLY 99 -14.007 4.809 -1.086 605 2HA GLY 99 1HA GLY 99 -15.470 4.554 -2.039 606 H LEU 100 H LEU 100 -15.819 2.417 -2.962 607 HA LEU 100 HA LEU 100 -15.597 0.220 -1.331 608 1HB LEU 100 2HB LEU 100 -16.449 0.733 -3.864 609 2HB LEU 100 1HB LEU 100 -15.065 -0.305 -4.199 610 HG LEU 100 HG LEU 100 -17.303 -0.989 -2.270 611 1HD1 LEU 100 1HD1 LEU 100 -16.800 -1.655 -5.162 612 2HD1 LEU 100 2HD1 LEU 100 -18.302 -1.152 -4.389 613 3HD1 LEU 100 3HD1 LEU 100 -17.680 -2.782 -4.131 614 1HD2 LEU 100 1HD2 LEU 100 -14.911 -1.936 -1.954 615 2HD2 LEU 100 2HD2 LEU 100 -15.221 -2.841 -3.437 616 3HD2 LEU 100 3HD2 LEU 100 -16.243 -3.092 -2.019 617 H ASP 101 H ASP 101 -13.572 0.088 -0.205 618 HA ASP 101 HA ASP 101 -11.111 -0.320 -1.830 619 1HB ASP 101 2HB ASP 101 -10.961 1.243 0.001 620 2HB ASP 101 1HB ASP 101 -11.704 0.091 1.113 621 H LEU 102 H LEU 102 -10.131 -2.334 -1.981 622 HA LEU 102 HA LEU 102 -11.590 -4.648 -0.861 623 1HB LEU 102 2HB LEU 102 -9.550 -4.105 -2.982 624 2HB LEU 102 1HB LEU 102 -9.657 -5.740 -2.327 625 HG LEU 102 HG LEU 102 -12.288 -4.615 -2.905 626 1HD1 LEU 102 1HD1 LEU 102 -10.977 -5.321 -5.434 627 2HD1 LEU 102 2HD1 LEU 102 -10.360 -3.830 -4.726 628 3HD1 LEU 102 3HD1 LEU 102 -12.081 -3.995 -5.075 629 1HD2 LEU 102 1HD2 LEU 102 -12.680 -6.787 -3.732 630 2HD2 LEU 102 2HD2 LEU 102 -11.457 -7.055 -2.489 631 3HD2 LEU 102 3HD2 LEU 102 -10.991 -7.016 -4.190 632 H GLY 103 H GLY 103 -8.107 -4.516 -1.377 633 1HA GLY 103 2HA GLY 103 -7.407 -4.316 1.424 634 2HA GLY 103 1HA GLY 103 -7.368 -5.990 0.869 635 H HIS 104 H HIS 104 -4.992 -5.315 1.601 636 HA HIS 104 HA HIS 104 -3.531 -4.429 -0.864 637 1HB HIS 104 2HB HIS 104 -3.238 -3.851 2.066 638 2HB HIS 104 1HB HIS 104 -1.793 -3.836 1.054 639 HD1 HIS 104 HD1 HIS 104 -1.484 -1.278 1.089 640 HD2 HIS 104 HD2 HIS 104 -5.222 -2.466 -0.324 641 HE1 HIS 104 HE1 HIS 104 -2.565 0.786 0.090 642 H VAL 105 H VAL 105 -2.551 -6.221 -1.747 643 HA VAL 105 HA VAL 105 -1.943 -8.597 -0.149 644 HB VAL 105 HB VAL 105 -1.246 -7.802 -2.998 645 1HG1 VAL 105 1HG1 VAL 105 -1.120 -10.389 -1.456 646 2HG1 VAL 105 2HG1 VAL 105 0.090 -9.680 -2.525 647 3HG1 VAL 105 3HG1 VAL 105 -1.369 -10.405 -3.203 648 1HG2 VAL 105 1HG2 VAL 105 -3.703 -8.916 -1.693 649 2HG2 VAL 105 2HG2 VAL 105 -3.285 -9.484 -3.309 650 3HG2 VAL 105 3HG2 VAL 105 -3.566 -7.767 -3.025 651 H ALA 106 H ALA 106 0.408 -9.529 -0.515 652 HA ALA 106 HA ALA 106 2.390 -7.305 -0.167 653 1HB ALA 106 1HB ALA 106 1.597 -9.566 1.555 654 2HB ALA 106 2HB ALA 106 2.335 -8.026 1.992 655 3HB ALA 106 3HB ALA 106 3.338 -9.344 1.389 656 H LEU 107 H LEU 107 4.245 -7.550 -1.355 657 HA LEU 107 HA LEU 107 4.626 -10.145 -2.815 658 1HB LEU 107 2HB LEU 107 5.506 -7.335 -3.557 659 2HB LEU 107 1HB LEU 107 5.547 -8.762 -4.594 660 HG LEU 107 HG LEU 107 3.053 -7.471 -3.449 661 1HD1 LEU 107 1HD1 LEU 107 2.572 -6.907 -5.795 662 2HD1 LEU 107 2HD1 LEU 107 4.089 -7.655 -6.296 663 3HD1 LEU 107 3HD1 LEU 107 4.110 -6.201 -5.297 664 1HD2 LEU 107 1HD2 LEU 107 2.575 -9.782 -3.608 665 2HD2 LEU 107 2HD2 LEU 107 3.546 -9.971 -5.068 666 3HD2 LEU 107 3HD2 LEU 107 1.997 -9.130 -5.142 667 H THR 108 H THR 108 7.063 -10.393 -3.463 668 HA THR 108 HA THR 108 9.019 -9.172 -1.646 669 HB THR 108 HB THR 108 8.630 -12.139 -1.446 670 HG1 THR 108 HG1 THR 108 6.890 -11.862 -0.343 671 1HG2 THR 108 1HG2 THR 108 10.613 -10.634 -0.525 672 2HG2 THR 108 2HG2 THR 108 9.989 -11.991 0.412 673 3HG2 THR 108 3HG2 THR 108 9.470 -10.347 0.786 674 H PHE 109 H PHE 109 10.516 -8.755 -3.247 675 HA PHE 109 HA PHE 109 11.005 -10.679 -5.414 676 1HB PHE 109 2HB PHE 109 12.065 -7.982 -4.571 677 2HB PHE 109 1HB PHE 109 12.759 -8.862 -5.934 678 HD1 PHE 109 HD1 PHE 109 9.460 -7.705 -4.575 679 HD2 PHE 109 HD2 PHE 109 11.794 -8.679 -8.050 680 HE1 PHE 109 HE1 PHE 109 7.616 -6.918 -6.044 681 HE2 PHE 109 HE2 PHE 109 9.954 -7.893 -9.514 682 HZ PHE 109 HZ PHE 109 7.863 -7.012 -8.513 683 H GLY 110 H GLY 110 12.637 -12.186 -5.422 684 1HA GLY 110 2HA GLY 110 15.191 -11.960 -4.296 685 2HA GLY 110 1HA GLY 110 14.184 -12.675 -3.037 686 2H2' ROM 111 2H2' ROM 111 -8.809 5.484 -8.985 687 2H3' ROM 111 2H3' ROM 111 -7.792 6.707 -11.121 688 H'1 ROM 111 H'1 ROM 111 -3.441 5.140 -10.826 689 3H18 ROM 111 3H18 ROM 111 -4.590 3.691 0.829 690 2H18 ROM 111 2H18 ROM 111 -4.701 2.362 -0.220 691 2H23 ROM 111 2H23 ROM 111 -7.570 7.942 -2.284 692 H1' ROM 111 H1' ROM 111 -8.120 7.461 -7.852 693 H2' ROM 111 H2' ROM 111 -10.933 7.366 -8.942 694 H3' ROM 111 H3' ROM 111 -9.803 7.220 -11.110 695 H4' ROM 111 H4' ROM 111 -10.420 9.424 -10.266 696 1H6B ROM 111 1H6B ROM 111 -8.835 11.619 -7.944 697 3H6B ROM 111 3H6B ROM 111 -8.332 11.754 -9.629 698 2H6B ROM 111 2H6B ROM 111 -10.022 11.441 -9.237 699 1H6A ROM 111 1H6A ROM 111 -6.757 10.055 -8.205 700 3H6A ROM 111 3H6A ROM 111 -6.998 8.474 -8.941 701 2H6A ROM 111 2H6A ROM 111 -6.826 9.902 -9.957 702 1H4B ROM 111 1H4B ROM 111 -10.150 9.160 -12.954 703 3H4B ROM 111 3H4B ROM 111 -10.710 10.500 -11.935 704 2H4B ROM 111 2H4B ROM 111 -9.490 10.789 -13.191 705 1H4A ROM 111 1H4A ROM 111 -7.017 8.743 -11.385 706 3H4A ROM 111 3H4A ROM 111 -8.208 8.079 -12.516 707 2H4A ROM 111 2H4A ROM 111 -7.316 9.553 -12.930 708 H'8 ROM 111 H'8 ROM 111 -0.164 6.244 -7.720 709 H'6 ROM 111 H'6 ROM 111 0.533 8.760 -11.090 710 1H3A ROM 111 1H3A ROM 111 -3.888 7.950 -14.632 711 2H3A ROM 111 2H3A ROM 111 -2.105 7.856 -15.114 712 1H7A ROM 111 1H7A ROM 111 1.802 6.199 -8.018 713 3H7A ROM 111 3H7A ROM 111 2.729 6.690 -9.437 714 2H7A ROM 111 2H7A ROM 111 3.117 7.359 -7.850 715 H3 ROM 111 H3 ROM 111 -4.780 6.832 -6.756 716 H6 ROM 111 H6 ROM 111 -7.488 3.162 -4.872 717 H5 ROM 111 H5 ROM 111 -5.207 2.676 -5.710 718 H12 ROM 111 H12 ROM 111 -5.974 9.052 -5.670 719 H8 ROM 111 H8 ROM 111 -9.517 5.136 -5.302 720 H13 ROM 111 H13 ROM 111 -3.348 3.473 -7.197 721 H10 ROM 111 H10 ROM 111 -9.779 8.458 -3.900 722 H11 ROM 111 H11 ROM 111 -7.745 10.095 -4.110 723 2H14 ROM 111 2H14 ROM 111 -1.508 3.971 -5.789 724 1H14 ROM 111 1H14 ROM 111 -2.227 5.488 -5.238 725 2H17 ROM 111 2H17 ROM 111 -3.741 2.467 -2.518 726 1H17 ROM 111 1H17 ROM 111 -2.274 2.784 -1.592 727 H18 ROM 111 H18 ROM 111 -3.356 4.933 -0.807 728 H20 ROM 111 H20 ROM 111 -6.085 2.575 -1.669 729 H24 ROM 111 H24 ROM 111 -4.675 6.589 -1.827 730 4H18 ROM 111 4H18 ROM 111 -3.190 2.834 0.395 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -17.095 -6.757 4.911 2 2H ALA 1 2H ALA 1 -17.404 -8.231 4.127 3 3H ALA 1 3H ALA 1 -17.496 -6.774 3.261 4 HA ALA 1 HA ALA 1 -15.142 -6.432 3.424 5 1HB ALA 1 1HB ALA 1 -14.751 -7.136 5.645 6 2HB ALA 1 2HB ALA 1 -13.919 -8.359 4.684 7 3HB ALA 1 3HB ALA 1 -15.507 -8.706 5.371 8 HA PRO 2 HA PRO 2 -15.630 -9.353 0.016 9 1HB PRO 2 2HB PRO 2 -14.084 -7.938 -1.743 10 2HB PRO 2 1HB PRO 2 -15.787 -7.546 -1.426 11 1HG PRO 2 2HG PRO 2 -13.322 -6.231 -0.408 12 2HG PRO 2 1HG PRO 2 -14.881 -5.521 -0.856 13 1HD PRO 2 2HD PRO 2 -14.077 -5.989 1.737 14 2HD PRO 2 1HD PRO 2 -15.771 -5.866 1.219 15 H ALA 3 H ALA 3 -13.450 -9.795 -1.690 16 HA ALA 3 HA ALA 3 -11.163 -10.390 0.141 17 1HB ALA 3 1HB ALA 3 -12.616 -12.295 -1.718 18 2HB ALA 3 2HB ALA 3 -12.613 -12.352 0.045 19 3HB ALA 3 3HB ALA 3 -11.130 -12.686 -0.852 20 H PHE 4 H PHE 4 -9.198 -11.071 -1.161 21 HA PHE 4 HA PHE 4 -9.070 -10.485 -4.009 22 1HB PHE 4 2HB PHE 4 -9.315 -8.217 -3.265 23 2HB PHE 4 1HB PHE 4 -8.185 -8.463 -1.933 24 HD1 PHE 4 HD1 PHE 4 -8.046 -9.364 -5.547 25 HD2 PHE 4 HD2 PHE 4 -6.258 -7.172 -2.321 26 HE1 PHE 4 HE1 PHE 4 -6.194 -8.683 -7.043 27 HE2 PHE 4 HE2 PHE 4 -4.395 -6.489 -3.816 28 HZ PHE 4 HZ PHE 4 -4.367 -7.246 -6.178 29 H SER 5 H SER 5 -7.233 -11.559 -4.790 30 HA SER 5 HA SER 5 -4.825 -11.763 -3.109 31 1HB SER 5 2HB SER 5 -6.319 -13.469 -2.177 32 2HB SER 5 1HB SER 5 -6.543 -14.169 -3.778 33 HG SER 5 HG SER 5 -4.652 -15.094 -3.620 34 H VAL 6 H VAL 6 -3.138 -13.122 -4.205 35 HA VAL 6 HA VAL 6 -3.401 -13.079 -7.189 36 HB VAL 6 HB VAL 6 -2.034 -11.248 -6.256 37 1HG1 VAL 6 1HG1 VAL 6 -0.629 -13.540 -4.878 38 2HG1 VAL 6 2HG1 VAL 6 -1.383 -12.130 -4.137 39 3HG1 VAL 6 3HG1 VAL 6 0.110 -11.949 -5.059 40 1HG2 VAL 6 1HG2 VAL 6 -1.292 -12.209 -8.381 41 2HG2 VAL 6 2HG2 VAL 6 -0.402 -13.469 -7.526 42 3HG2 VAL 6 3HG2 VAL 6 0.117 -11.787 -7.408 43 H SER 7 H SER 7 -2.228 -14.862 -8.258 44 HA SER 7 HA SER 7 -2.307 -17.351 -6.933 45 1HB SER 7 2HB SER 7 -2.279 -17.357 -9.282 46 2HB SER 7 1HB SER 7 -0.909 -16.267 -9.378 47 HG SER 7 HG SER 7 0.224 -18.136 -8.267 48 HA PRO 8 HA PRO 8 2.211 -17.314 -5.712 49 1HB PRO 8 2HB PRO 8 4.056 -15.703 -6.895 50 2HB PRO 8 1HB PRO 8 3.556 -17.253 -7.603 51 1HG PRO 8 2HG PRO 8 2.758 -14.490 -8.347 52 2HG PRO 8 1HG PRO 8 3.026 -15.905 -9.376 53 1HD PRO 8 2HD PRO 8 0.537 -14.976 -8.616 54 2HD PRO 8 1HD PRO 8 0.889 -16.636 -9.133 55 H ALA 9 H ALA 9 3.955 -15.664 -4.641 56 HA ALA 9 HA ALA 9 3.259 -12.927 -4.205 57 1HB ALA 9 1HB ALA 9 1.395 -14.658 -3.155 58 2HB ALA 9 2HB ALA 9 1.656 -13.004 -2.601 59 3HB ALA 9 3HB ALA 9 2.434 -14.346 -1.765 60 H SER 10 H SER 10 5.556 -14.826 -4.356 61 HA SER 10 HA SER 10 7.238 -13.629 -2.341 62 1HB SER 10 2HB SER 10 7.502 -15.489 -0.895 63 2HB SER 10 1HB SER 10 5.764 -15.385 -1.160 64 HG SER 10 HG SER 10 6.308 -17.483 -1.534 65 H GLY 11 H GLY 11 9.475 -14.183 -2.719 66 1HA GLY 11 2HA GLY 11 11.247 -14.692 -4.178 67 2HA GLY 11 1HA GLY 11 10.477 -16.277 -4.272 68 H LEU 12 H LEU 12 9.513 -13.041 -5.418 69 HA LEU 12 HA LEU 12 8.614 -14.202 -7.978 70 1HB LEU 12 2HB LEU 12 8.596 -11.374 -6.895 71 2HB LEU 12 1HB LEU 12 7.678 -11.962 -8.282 72 HG LEU 12 HG LEU 12 7.406 -13.011 -5.455 73 1HD1 LEU 12 1HD1 LEU 12 5.773 -11.069 -7.096 74 2HD1 LEU 12 2HD1 LEU 12 6.467 -10.822 -5.493 75 3HD1 LEU 12 3HD1 LEU 12 5.107 -11.924 -5.705 76 1HD2 LEU 12 1HD2 LEU 12 5.994 -13.611 -8.065 77 2HD2 LEU 12 2HD2 LEU 12 5.335 -14.065 -6.494 78 3HD2 LEU 12 3HD2 LEU 12 6.873 -14.739 -7.035 79 H SER 13 H SER 13 9.108 -11.990 -9.655 80 HA SER 13 HA SER 13 12.008 -11.436 -9.671 81 1HB SER 13 2HB SER 13 10.633 -13.494 -11.329 82 2HB SER 13 1HB SER 13 11.859 -12.517 -12.133 83 HG SER 13 HG SER 13 12.131 -14.105 -9.792 84 H ASP 14 H ASP 14 12.545 -9.766 -11.185 85 HA ASP 14 HA ASP 14 10.528 -7.840 -11.767 86 1HB ASP 14 2HB ASP 14 12.383 -6.853 -13.157 87 2HB ASP 14 1HB ASP 14 12.888 -7.304 -11.528 88 H GLY 15 H GLY 15 9.181 -7.599 -13.522 89 1HA GLY 15 2HA GLY 15 8.442 -7.836 -15.776 90 2HA GLY 15 1HA GLY 15 9.751 -8.988 -16.049 91 H GLN 16 H GLN 16 9.068 -10.522 -13.618 92 HA GLN 16 HA GLN 16 7.492 -12.578 -14.663 93 1HB GLN 16 2HB GLN 16 8.919 -12.596 -12.610 94 2HB GLN 16 1HB GLN 16 7.686 -11.646 -11.782 95 1HG GLN 16 2HG GLN 16 6.054 -13.423 -12.057 96 2HG GLN 16 1HG GLN 16 7.180 -14.353 -13.042 97 1HE2 GLN 16 1HE2 GLN 16 6.192 -15.595 -10.766 98 2HE2 GLN 16 2HE2 GLN 16 7.393 -15.683 -9.576 99 H SER 17 H SER 17 5.277 -12.979 -14.768 100 HA SER 17 HA SER 17 3.469 -10.765 -13.849 101 1HB SER 17 2HB SER 17 2.431 -10.933 -15.886 102 2HB SER 17 1HB SER 17 3.950 -11.673 -16.382 103 HG SER 17 HG SER 17 2.794 -13.382 -16.757 104 H VAL 18 H VAL 18 1.856 -11.365 -12.430 105 HA VAL 18 HA VAL 18 1.549 -14.278 -11.834 106 HB VAL 18 HB VAL 18 0.939 -13.449 -9.582 107 1HG1 VAL 18 1HG1 VAL 18 3.150 -12.509 -8.991 108 2HG1 VAL 18 2HG1 VAL 18 3.471 -12.196 -10.698 109 3HG1 VAL 18 3HG1 VAL 18 3.319 -13.857 -10.119 110 1HG2 VAL 18 1HG2 VAL 18 0.804 -11.152 -9.065 111 2HG2 VAL 18 2HG2 VAL 18 0.014 -11.248 -10.638 112 3HG2 VAL 18 3HG2 VAL 18 1.680 -10.680 -10.522 113 H SER 19 H SER 19 -0.644 -15.041 -11.414 114 HA SER 19 HA SER 19 -2.700 -13.615 -12.996 115 1HB SER 19 2HB SER 19 -2.350 -16.027 -13.247 116 2HB SER 19 1HB SER 19 -2.623 -16.272 -11.526 117 HG SER 19 HG SER 19 -4.550 -16.671 -12.507 118 H VAL 20 H VAL 20 -3.747 -11.994 -11.879 119 HA VAL 20 HA VAL 20 -4.212 -12.272 -8.970 120 HB VAL 20 HB VAL 20 -4.724 -10.060 -10.976 121 1HG1 VAL 20 1HG1 VAL 20 -6.204 -9.674 -9.160 122 2HG1 VAL 20 2HG1 VAL 20 -4.786 -8.693 -8.790 123 3HG1 VAL 20 3HG1 VAL 20 -5.028 -10.239 -7.975 124 1HG2 VAL 20 1HG2 VAL 20 -2.760 -9.073 -9.589 125 2HG2 VAL 20 2HG2 VAL 20 -2.389 -10.298 -10.800 126 3HG2 VAL 20 3HG2 VAL 20 -2.471 -10.740 -9.095 127 H SER 21 H SER 21 -6.413 -11.606 -8.182 128 HA SER 21 HA SER 21 -8.718 -11.871 -9.929 129 1HB SER 21 2HB SER 21 -9.018 -14.110 -9.845 130 2HB SER 21 1HB SER 21 -7.405 -14.226 -9.151 131 HG SER 21 HG SER 21 -9.747 -14.751 -8.009 132 H VAL 22 H VAL 22 -10.340 -10.773 -8.898 133 HA VAL 22 HA VAL 22 -10.210 -10.543 -5.931 134 HB VAL 22 HB VAL 22 -11.236 -8.572 -7.982 135 1HG1 VAL 22 1HG1 VAL 22 -12.249 -7.850 -6.052 136 2HG1 VAL 22 2HG1 VAL 22 -10.665 -7.124 -5.778 137 3HG1 VAL 22 3HG1 VAL 22 -11.075 -8.658 -5.012 138 1HG2 VAL 22 1HG2 VAL 22 -8.551 -9.263 -7.292 139 2HG2 VAL 22 2HG2 VAL 22 -8.888 -7.673 -6.602 140 3HG2 VAL 22 3HG2 VAL 22 -9.099 -7.949 -8.334 141 H SER 23 H SER 23 -12.391 -10.076 -4.958 142 HA SER 23 HA SER 23 -14.780 -10.748 -6.510 143 1HB SER 23 2HB SER 23 -14.503 -12.983 -6.215 144 2HB SER 23 1HB SER 23 -13.194 -12.739 -5.064 145 HG SER 23 HG SER 23 -14.571 -12.967 -3.487 146 H GLY 24 H GLY 24 -16.704 -10.926 -4.893 147 1HA GLY 24 2HA GLY 24 -17.753 -10.275 -2.840 148 2HA GLY 24 1HA GLY 24 -16.221 -9.583 -2.305 149 H ALA 25 H ALA 25 -15.771 -8.061 -4.748 150 HA ALA 25 HA ALA 25 -17.000 -5.592 -4.079 151 1HB ALA 25 1HB ALA 25 -15.641 -6.783 -6.491 152 2HB ALA 25 2HB ALA 25 -15.052 -5.537 -5.392 153 3HB ALA 25 3HB ALA 25 -16.297 -5.149 -6.577 154 H ALA 26 H ALA 26 -18.080 -4.700 -6.616 155 HA ALA 26 HA ALA 26 -20.422 -6.462 -7.114 156 1HB ALA 26 1HB ALA 26 -21.600 -5.237 -5.617 157 2HB ALA 26 2HB ALA 26 -21.542 -3.943 -6.814 158 3HB ALA 26 3HB ALA 26 -20.339 -4.009 -5.525 159 H ALA 27 H ALA 27 -21.227 -6.253 -9.178 160 HA ALA 27 HA ALA 27 -19.714 -5.125 -11.262 161 1HB ALA 27 1HB ALA 27 -21.898 -6.733 -10.997 162 2HB ALA 27 2HB ALA 27 -21.379 -6.048 -12.536 163 3HB ALA 27 3HB ALA 27 -22.655 -5.261 -11.606 164 H GLY 28 H GLY 28 -19.654 -3.099 -12.171 165 1HA GLY 28 2HA GLY 28 -20.740 -0.988 -12.786 166 2HA GLY 28 1HA GLY 28 -21.673 -1.102 -11.298 167 H GLU 29 H GLU 29 -18.447 -2.036 -10.830 168 HA GLU 29 HA GLU 29 -17.654 0.737 -10.025 169 1HB GLU 29 2HB GLU 29 -17.453 -1.782 -8.349 170 2HB GLU 29 1HB GLU 29 -16.946 -0.167 -7.854 171 1HG GLU 29 2HG GLU 29 -19.457 0.426 -8.535 172 2HG GLU 29 1HG GLU 29 -19.700 -1.280 -8.159 173 H THR 30 H THR 30 -15.469 1.155 -10.320 174 HA THR 30 HA THR 30 -13.864 -1.011 -11.596 175 HB THR 30 HB THR 30 -13.260 1.948 -11.457 176 HG1 THR 30 HG1 THR 30 -14.522 2.219 -13.237 177 1HG2 THR 30 1HG2 THR 30 -11.426 1.021 -12.464 178 2HG2 THR 30 2HG2 THR 30 -12.463 1.091 -13.888 179 3HG2 THR 30 3HG2 THR 30 -12.309 -0.415 -12.981 180 H TYR 31 H TYR 31 -11.367 -0.615 -11.075 181 HA TYR 31 HA TYR 31 -10.847 0.305 -8.326 182 1HB TYR 31 2HB TYR 31 -11.057 -2.578 -9.170 183 2HB TYR 31 1HB TYR 31 -10.005 -2.122 -7.828 184 HD1 TYR 31 HD1 TYR 31 -13.393 -2.786 -8.849 185 HD2 TYR 31 HD2 TYR 31 -11.013 -0.728 -5.932 186 HE1 TYR 31 HE1 TYR 31 -15.361 -2.643 -7.344 187 HE2 TYR 31 HE2 TYR 31 -12.974 -0.584 -4.431 188 HH TYR 31 HH TYR 31 -15.833 -2.378 -4.961 189 H TYR 32 H TYR 32 -8.822 1.220 -8.426 190 HA TYR 32 HA TYR 32 -6.985 0.448 -10.622 191 1HB TYR 32 2HB TYR 32 -6.847 2.586 -8.461 192 2HB TYR 32 1HB TYR 32 -5.770 2.468 -9.852 193 HD1 TYR 32 HD1 TYR 32 -9.303 3.022 -8.825 194 HD2 TYR 32 HD2 TYR 32 -6.426 3.258 -12.005 195 HE1 TYR 32 HE1 TYR 32 -10.922 4.313 -10.192 196 HE2 TYR 32 HE2 TYR 32 -8.044 4.545 -13.374 197 HH TYR 32 HH TYR 32 -10.120 6.101 -12.783 198 H ILE 33 H ILE 33 -5.408 -1.059 -10.234 199 HA ILE 33 HA ILE 33 -4.579 -1.541 -7.385 200 HB ILE 33 HB ILE 33 -5.718 -3.416 -8.424 201 1HG1 ILE 33 2HG1 ILE 33 -2.712 -3.856 -8.475 202 2HG1 ILE 33 1HG1 ILE 33 -3.732 -3.947 -7.037 203 1HG2 ILE 33 1HG2 ILE 33 -4.290 -2.459 -10.752 204 2HG2 ILE 33 2HG2 ILE 33 -5.655 -3.571 -10.668 205 3HG2 ILE 33 3HG2 ILE 33 -4.007 -4.183 -10.527 206 1HD1 ILE 33 1HD1 ILE 33 -3.137 -6.149 -8.362 207 2HD1 ILE 33 2HD1 ILE 33 -4.431 -5.616 -9.434 208 3HD1 ILE 33 3HD1 ILE 33 -4.769 -5.919 -7.731 209 H ALA 34 H ALA 34 -2.330 -1.590 -6.929 210 HA ALA 34 HA ALA 34 -0.337 -1.530 -9.084 211 1HB ALA 34 1HB ALA 34 0.029 0.911 -7.616 212 2HB ALA 34 2HB ALA 34 -1.623 0.856 -8.228 213 3HB ALA 34 3HB ALA 34 -0.264 0.706 -9.342 214 H GLN 35 H GLN 35 1.893 -1.435 -8.192 215 HA GLN 35 HA GLN 35 2.049 -2.674 -5.514 216 1HB GLN 35 2HB GLN 35 3.282 -3.471 -7.565 217 2HB GLN 35 1HB GLN 35 4.207 -1.970 -7.531 218 1HG GLN 35 2HG GLN 35 4.900 -2.548 -5.172 219 2HG GLN 35 1HG GLN 35 4.148 -4.127 -5.403 220 1HE2 GLN 35 1HE2 GLN 35 5.011 -5.408 -7.363 221 2HE2 GLN 35 2HE2 GLN 35 6.655 -5.233 -7.751 222 H CYS 36 H CYS 36 2.531 -1.490 -3.701 223 HA CYS 36 HA CYS 36 3.830 1.186 -4.090 224 1HB CYS 36 2HB CYS 36 1.258 0.684 -3.326 225 2HB CYS 36 1HB CYS 36 2.064 0.749 -1.760 226 H ALA 37 H ALA 37 5.265 1.832 -2.390 227 HA ALA 37 HA ALA 37 6.028 -0.294 -0.413 228 1HB ALA 37 1HB ALA 37 8.402 0.355 -0.947 229 2HB ALA 37 2HB ALA 37 7.786 1.392 -2.234 230 3HB ALA 37 3HB ALA 37 7.555 -0.354 -2.322 231 HA PRO 38 HA PRO 38 5.981 3.059 2.450 232 1HB PRO 38 2HB PRO 38 7.978 2.350 4.182 233 2HB PRO 38 1HB PRO 38 6.399 1.543 4.135 234 1HG PRO 38 2HG PRO 38 9.002 0.675 2.975 235 2HG PRO 38 1HG PRO 38 7.738 -0.289 3.759 236 1HD PRO 38 2HD PRO 38 8.070 -0.169 1.050 237 2HD PRO 38 1HD PRO 38 6.504 -0.481 1.832 238 H VAL 39 H VAL 39 7.371 4.861 3.337 239 HA VAL 39 HA VAL 39 10.043 5.244 2.181 240 HB VAL 39 HB VAL 39 8.457 5.672 0.299 241 1HG1 VAL 39 1HG1 VAL 39 6.946 6.898 2.320 242 2HG1 VAL 39 2HG1 VAL 39 6.587 6.899 0.593 243 3HG1 VAL 39 3HG1 VAL 39 7.503 8.228 1.305 244 1HG2 VAL 39 1HG2 VAL 39 9.501 8.371 1.048 245 2HG2 VAL 39 2HG2 VAL 39 9.668 7.486 -0.468 246 3HG2 VAL 39 3HG2 VAL 39 10.666 7.053 0.920 247 H GLY 40 H GLY 40 10.407 5.545 4.539 248 1HA GLY 40 2HA GLY 40 10.851 6.988 6.344 249 2HA GLY 40 1HA GLY 40 10.350 8.325 5.311 250 H GLY 41 H GLY 41 7.912 6.028 5.337 251 1HA GLY 41 2HA GLY 41 6.372 5.846 7.426 252 2HA GLY 41 1HA GLY 41 6.430 7.609 7.392 253 H GLN 42 H GLN 42 6.317 7.989 4.584 254 HA GLN 42 HA GLN 42 3.448 7.605 4.154 255 1HB GLN 42 2HB GLN 42 5.751 8.859 2.648 256 2HB GLN 42 1HB GLN 42 4.127 8.787 1.963 257 1HG GLN 42 2HG GLN 42 3.589 10.628 3.138 258 2HG GLN 42 1HG GLN 42 3.829 9.710 4.625 259 1HE2 GLN 42 1HE2 GLN 42 4.488 12.379 4.784 260 2HE2 GLN 42 2HE2 GLN 42 6.173 12.587 4.787 261 H ASP 43 H ASP 43 3.367 7.150 1.375 262 HA ASP 43 HA ASP 43 4.780 4.571 0.923 263 1HB ASP 43 2HB ASP 43 2.565 3.520 0.386 264 2HB ASP 43 1HB ASP 43 2.716 3.992 2.079 265 H ALA 44 H ALA 44 5.666 4.837 -1.078 266 HA ALA 44 HA ALA 44 4.303 6.570 -3.074 267 1HB ALA 44 1HB ALA 44 6.847 6.463 -2.248 268 2HB ALA 44 2HB ALA 44 6.439 6.885 -3.911 269 3HB ALA 44 3HB ALA 44 6.940 5.242 -3.515 270 H CYS 45 H CYS 45 3.171 5.630 -4.748 271 HA CYS 45 HA CYS 45 3.318 2.682 -5.085 272 1HB CYS 45 2HB CYS 45 1.457 4.901 -5.921 273 2HB CYS 45 1HB CYS 45 1.305 3.284 -6.602 274 H ASN 46 H ASN 46 3.079 1.964 -7.481 275 HA ASN 46 HA ASN 46 5.187 3.380 -9.037 276 1HB ASN 46 2HB ASN 46 5.415 1.187 -10.168 277 2HB ASN 46 1HB ASN 46 5.550 1.019 -8.420 278 1HD2 ASN 46 1HD2 ASN 46 4.857 -1.285 -9.722 279 2HD2 ASN 46 2HD2 ASN 46 3.208 -1.637 -9.530 280 HA PRO 47 HA PRO 47 1.874 4.480 -11.789 281 1HB PRO 47 2HB PRO 47 3.294 6.315 -13.223 282 2HB PRO 47 1HB PRO 47 2.631 6.656 -11.613 283 1HG PRO 47 2HG PRO 47 5.418 6.176 -12.423 284 2HG PRO 47 1HG PRO 47 4.782 7.036 -11.015 285 1HD PRO 47 2HD PRO 47 5.828 4.388 -11.089 286 2HD PRO 47 1HD PRO 47 5.063 5.208 -9.712 287 H ALA 48 H ALA 48 4.529 2.604 -12.319 288 HA ALA 48 HA ALA 48 4.683 2.646 -15.231 289 1HB ALA 48 1HB ALA 48 5.930 0.410 -14.610 290 2HB ALA 48 2HB ALA 48 5.758 1.003 -12.959 291 3HB ALA 48 3HB ALA 48 6.642 1.957 -14.152 292 H THR 49 H THR 49 3.776 -0.028 -13.053 293 HA THR 49 HA THR 49 2.033 -1.145 -15.174 294 HB THR 49 HB THR 49 1.960 -3.049 -13.504 295 HG1 THR 49 HG1 THR 49 4.017 -1.681 -12.175 296 1HG2 THR 49 1HG2 THR 49 4.634 -3.261 -13.644 297 2HG2 THR 49 2HG2 THR 49 4.403 -1.937 -14.785 298 3HG2 THR 49 3HG2 THR 49 3.597 -3.483 -15.053 299 H ALA 50 H ALA 50 1.175 1.324 -13.829 300 HA ALA 50 HA ALA 50 -0.856 0.616 -11.847 301 1HB ALA 50 1HB ALA 50 -0.727 3.174 -13.432 302 2HB ALA 50 2HB ALA 50 0.524 2.808 -12.244 303 3HB ALA 50 3HB ALA 50 -1.159 2.947 -11.738 304 H THR 51 H THR 51 -2.278 -0.872 -12.912 305 HA THR 51 HA THR 51 -3.732 0.190 -15.306 306 HB THR 51 HB THR 51 -2.601 -1.914 -15.674 307 HG1 THR 51 HG1 THR 51 -5.222 -2.735 -15.094 308 1HG2 THR 51 1HG2 THR 51 -3.521 -3.855 -14.091 309 2HG2 THR 51 2HG2 THR 51 -3.706 -2.508 -12.968 310 3HG2 THR 51 3HG2 THR 51 -2.120 -2.885 -13.641 311 H SER 52 H SER 52 -6.095 -0.456 -15.362 312 HA SER 52 HA SER 52 -7.305 -0.420 -12.618 313 1HB SER 52 2HB SER 52 -7.327 1.541 -14.597 314 2HB SER 52 1HB SER 52 -8.895 0.753 -14.766 315 HG SER 52 HG SER 52 -9.269 2.158 -13.180 316 H PHE 53 H PHE 53 -9.235 -1.659 -12.386 317 HA PHE 53 HA PHE 53 -10.164 -3.219 -14.752 318 1HB PHE 53 2HB PHE 53 -9.848 -5.302 -13.557 319 2HB PHE 53 1HB PHE 53 -8.327 -4.413 -13.499 320 HD1 PHE 53 HD1 PHE 53 -11.309 -5.432 -11.566 321 HD2 PHE 53 HD2 PHE 53 -7.493 -3.466 -11.431 322 HE1 PHE 53 HE1 PHE 53 -11.378 -5.471 -9.087 323 HE2 PHE 53 HE2 PHE 53 -7.561 -3.504 -8.951 324 HZ PHE 53 HZ PHE 53 -9.504 -4.507 -7.781 325 H THR 54 H THR 54 -12.362 -3.816 -14.596 326 HA THR 54 HA THR 54 -13.811 -2.783 -12.181 327 HB THR 54 HB THR 54 -14.759 -3.125 -15.042 328 HG1 THR 54 HG1 THR 54 -13.612 -1.395 -15.307 329 1HG2 THR 54 1HG2 THR 54 -16.795 -2.411 -14.348 330 2HG2 THR 54 2HG2 THR 54 -16.100 -1.224 -13.244 331 3HG2 THR 54 3HG2 THR 54 -16.253 -2.908 -12.748 332 H THR 55 H THR 55 -15.635 -4.073 -11.441 333 HA THR 55 HA THR 55 -15.214 -6.958 -11.746 334 HB THR 55 HB THR 55 -17.328 -6.855 -10.200 335 HG1 THR 55 HG1 THR 55 -18.092 -4.890 -10.233 336 1HG2 THR 55 1HG2 THR 55 -14.895 -5.424 -9.137 337 2HG2 THR 55 2HG2 THR 55 -14.811 -7.125 -9.611 338 3HG2 THR 55 3HG2 THR 55 -15.913 -6.619 -8.333 339 H ASP 56 H ASP 56 -17.370 -8.284 -11.983 340 HA ASP 56 HA ASP 56 -18.863 -7.222 -14.362 341 1HB ASP 56 2HB ASP 56 -17.138 -9.243 -14.400 342 2HB ASP 56 1HB ASP 56 -18.519 -10.139 -13.766 343 H ALA 57 H ALA 57 -20.724 -9.421 -14.356 344 HA ALA 57 HA ALA 57 -22.707 -8.452 -12.530 345 1HB ALA 57 1HB ALA 57 -23.982 -9.773 -13.857 346 2HB ALA 57 2HB ALA 57 -23.045 -11.205 -13.428 347 3HB ALA 57 3HB ALA 57 -22.500 -10.152 -14.733 348 H SER 58 H SER 58 -20.132 -10.718 -12.162 349 HA SER 58 HA SER 58 -21.341 -11.877 -9.695 350 1HB SER 58 2HB SER 58 -20.335 -13.283 -11.537 351 2HB SER 58 1HB SER 58 -18.774 -12.556 -11.161 352 HG SER 58 HG SER 58 -20.371 -14.309 -9.650 353 H GLY 59 H GLY 59 -20.064 -9.095 -10.161 354 1HA GLY 59 2HA GLY 59 -18.544 -7.667 -9.054 355 2HA GLY 59 1HA GLY 59 -19.014 -8.597 -7.633 356 H ALA 60 H ALA 60 -17.422 -10.189 -10.312 357 HA ALA 60 HA ALA 60 -14.979 -10.491 -8.591 358 1HB ALA 60 1HB ALA 60 -15.567 -12.674 -8.821 359 2HB ALA 60 2HB ALA 60 -15.004 -12.529 -10.487 360 3HB ALA 60 3HB ALA 60 -16.713 -12.301 -10.110 361 H ALA 61 H ALA 61 -13.017 -9.882 -9.487 362 HA ALA 61 HA ALA 61 -12.974 -9.232 -12.425 363 1HB ALA 61 1HB ALA 61 -12.364 -7.104 -11.930 364 2HB ALA 61 2HB ALA 61 -11.234 -7.636 -10.684 365 3HB ALA 61 3HB ALA 61 -12.947 -7.458 -10.304 366 H SER 62 H SER 62 -11.680 -10.912 -13.174 367 HA SER 62 HA SER 62 -9.159 -11.512 -11.693 368 1HB SER 62 2HB SER 62 -11.036 -13.229 -12.347 369 2HB SER 62 1HB SER 62 -10.318 -13.129 -13.949 370 HG SER 62 HG SER 62 -8.275 -13.571 -12.834 371 H PHE 63 H PHE 63 -7.176 -11.410 -12.843 372 HA PHE 63 HA PHE 63 -7.025 -10.989 -15.687 373 1HB PHE 63 2HB PHE 63 -6.506 -8.565 -15.605 374 2HB PHE 63 1HB PHE 63 -8.130 -8.891 -14.999 375 HD1 PHE 63 HD1 PHE 63 -4.746 -7.828 -14.132 376 HD2 PHE 63 HD2 PHE 63 -8.623 -8.816 -12.571 377 HE1 PHE 63 HE1 PHE 63 -4.131 -6.772 -11.974 378 HE2 PHE 63 HE2 PHE 63 -8.008 -7.758 -10.408 379 HZ PHE 63 HZ PHE 63 -5.769 -6.739 -10.110 380 H SER 64 H SER 64 -4.730 -10.199 -16.271 381 HA SER 64 HA SER 64 -2.813 -11.453 -14.367 382 1HB SER 64 2HB SER 64 -1.448 -10.771 -16.669 383 2HB SER 64 1HB SER 64 -2.230 -12.322 -16.387 384 HG SER 64 HG SER 64 -3.393 -10.020 -17.591 385 H PHE 65 H PHE 65 -0.798 -10.322 -13.887 386 HA PHE 65 HA PHE 65 -0.702 -7.421 -14.428 387 1HB PHE 65 2HB PHE 65 -2.118 -7.527 -12.497 388 2HB PHE 65 1HB PHE 65 -1.078 -8.728 -11.730 389 HD1 PHE 65 HD1 PHE 65 -0.777 -5.318 -13.259 390 HD2 PHE 65 HD2 PHE 65 0.363 -7.973 -10.083 391 HE1 PHE 65 HE1 PHE 65 0.554 -3.506 -12.225 392 HE2 PHE 65 HE2 PHE 65 1.692 -6.163 -9.049 393 HZ PHE 65 HZ PHE 65 1.796 -3.927 -10.117 394 H VAL 66 H VAL 66 1.442 -6.694 -14.426 395 HA VAL 66 HA VAL 66 3.538 -8.750 -14.011 396 HB VAL 66 HB VAL 66 3.657 -5.910 -15.048 397 1HG1 VAL 66 1HG1 VAL 66 5.783 -6.653 -16.067 398 2HG1 VAL 66 2HG1 VAL 66 5.587 -8.235 -15.311 399 3HG1 VAL 66 3HG1 VAL 66 5.836 -6.805 -14.310 400 1HG2 VAL 66 1HG2 VAL 66 3.219 -6.710 -17.179 401 2HG2 VAL 66 2HG2 VAL 66 2.202 -7.792 -16.224 402 3HG2 VAL 66 3HG2 VAL 66 3.780 -8.335 -16.792 403 H VAL 67 H VAL 67 5.552 -8.041 -12.887 404 HA VAL 67 HA VAL 67 5.033 -6.086 -10.674 405 HB VAL 67 HB VAL 67 6.290 -7.798 -9.245 406 1HG1 VAL 67 1HG1 VAL 67 3.840 -9.165 -10.201 407 2HG1 VAL 67 2HG1 VAL 67 3.640 -7.482 -9.710 408 3HG1 VAL 67 3HG1 VAL 67 4.287 -8.662 -8.571 409 1HG2 VAL 67 1HG2 VAL 67 6.854 -8.983 -11.630 410 2HG2 VAL 67 2HG2 VAL 67 5.444 -9.920 -11.136 411 3HG2 VAL 67 3HG2 VAL 67 6.863 -9.846 -10.091 412 H ARG 68 H ARG 68 6.950 -4.989 -9.960 413 HA ARG 68 HA ARG 68 9.379 -5.465 -11.659 414 1HB ARG 68 2HB ARG 68 8.063 -2.911 -10.692 415 2HB ARG 68 1HB ARG 68 9.657 -2.955 -11.445 416 1HG ARG 68 2HG ARG 68 7.632 -4.436 -12.968 417 2HG ARG 68 1HG ARG 68 7.257 -2.720 -12.805 418 1HD ARG 68 2HD ARG 68 9.236 -2.051 -13.898 419 2HD ARG 68 1HD ARG 68 10.027 -3.614 -13.611 420 HE ARG 68 HE ARG 68 7.596 -3.920 -15.156 421 1HH1 ARG 68 1HH2 ARG 68 10.403 -5.240 -15.424 422 2HH1 ARG 68 2HH2 ARG 68 10.836 -4.704 -17.015 423 1HH2 ARG 68 1HH1 ARG 68 8.371 -2.268 -17.150 424 2HH2 ARG 68 2HH1 ARG 68 9.685 -3.021 -17.990 425 H LYS 69 H LYS 69 10.776 -6.455 -10.229 426 HA LYS 69 HA LYS 69 10.934 -6.458 -7.488 427 1HB LYS 69 2HB LYS 69 12.402 -7.724 -8.929 428 2HB LYS 69 1HB LYS 69 13.144 -6.244 -9.538 429 1HG LYS 69 2HG LYS 69 13.719 -5.773 -7.049 430 2HG LYS 69 1HG LYS 69 13.407 -7.495 -6.817 431 1HD LYS 69 2HD LYS 69 15.042 -7.082 -9.161 432 2HD LYS 69 1HD LYS 69 15.784 -6.320 -7.753 433 1HE LYS 69 2HE LYS 69 15.566 -8.438 -6.485 434 2HE LYS 69 1HE LYS 69 14.843 -9.205 -7.914 435 1HZ LYS 69 1HZ LYS 69 17.510 -7.899 -7.829 436 2HZ LYS 69 2HZ LYS 69 16.809 -8.642 -9.186 437 3HZ LYS 69 3HZ LYS 69 17.244 -9.572 -7.832 438 H SER 70 H SER 70 12.005 -3.804 -9.599 439 HA SER 70 HA SER 70 12.259 -2.071 -7.166 440 1HB SER 70 2HB SER 70 14.472 -2.955 -7.921 441 2HB SER 70 1HB SER 70 14.197 -2.227 -9.499 442 HG SER 70 HG SER 70 15.215 -1.098 -7.345 443 H TYR 71 H TYR 71 11.854 0.193 -7.620 444 HA TYR 71 HA TYR 71 11.335 1.211 -10.276 445 1HB TYR 71 2HB TYR 71 8.940 1.121 -10.299 446 2HB TYR 71 1HB TYR 71 9.466 -0.490 -9.813 447 HD1 TYR 71 HD1 TYR 71 8.097 2.732 -8.591 448 HD2 TYR 71 HD2 TYR 71 9.032 -1.343 -7.602 449 HE1 TYR 71 HE1 TYR 71 6.819 2.952 -6.473 450 HE2 TYR 71 HE2 TYR 71 7.756 -1.125 -5.486 451 HH TYR 71 HH TYR 71 5.568 1.175 -4.874 452 H THR 72 H THR 72 10.718 3.490 -10.193 453 HA THR 72 HA THR 72 11.485 4.826 -7.704 454 HB THR 72 HB THR 72 10.214 6.252 -9.985 455 HG1 THR 72 HG1 THR 72 12.845 5.363 -10.252 456 1HG2 THR 72 1HG2 THR 72 12.881 6.714 -8.648 457 2HG2 THR 72 2HG2 THR 72 11.371 7.294 -7.944 458 3HG2 THR 72 3HG2 THR 72 11.886 7.877 -9.525 459 H GLY 73 H GLY 73 10.106 5.438 -6.112 460 1HA GLY 73 2HA GLY 73 7.245 4.946 -6.358 461 2HA GLY 73 1HA GLY 73 8.068 5.586 -4.942 462 H SER 74 H SER 74 5.588 6.516 -6.162 463 HA SER 74 HA SER 74 6.056 9.379 -6.096 464 1HB SER 74 2HB SER 74 5.607 7.965 -8.737 465 2HB SER 74 1HB SER 74 5.317 9.687 -8.526 466 HG SER 74 HG SER 74 7.442 9.180 -9.297 467 H THR 75 H THR 75 4.164 10.010 -5.085 468 HA THR 75 HA THR 75 1.838 8.526 -4.695 469 HB THR 75 HB THR 75 0.805 10.687 -4.182 470 HG1 THR 75 HG1 THR 75 1.357 12.381 -5.263 471 1HG2 THR 75 1HG2 THR 75 3.237 11.640 -3.190 472 2HG2 THR 75 2HG2 THR 75 3.465 9.895 -3.322 473 3HG2 THR 75 3HG2 THR 75 2.127 10.541 -2.369 474 HA PRO 76 HA PRO 76 -0.341 8.313 -8.492 475 1HB PRO 76 2HB PRO 76 -2.925 8.398 -7.598 476 2HB PRO 76 1HB PRO 76 -1.872 6.982 -7.407 477 1HG PRO 76 2HG PRO 76 -2.558 9.102 -5.426 478 2HG PRO 76 1HG PRO 76 -2.409 7.351 -5.196 479 1HD PRO 76 2HD PRO 76 -0.460 9.088 -4.472 480 2HD PRO 76 1HD PRO 76 -0.117 7.430 -5.020 481 H GLU 77 H GLU 77 -1.058 10.959 -6.269 482 HA GLU 77 HA GLU 77 -2.669 12.529 -8.080 483 1HB GLU 77 2HB GLU 77 -1.821 12.588 -5.421 484 2HB GLU 77 1HB GLU 77 -1.088 14.022 -6.138 485 1HG GLU 77 2HG GLU 77 -3.191 14.818 -5.483 486 2HG GLU 77 1HG GLU 77 -3.453 14.408 -7.179 487 H GLY 78 H GLY 78 0.527 13.529 -6.881 488 1HA GLY 78 2HA GLY 78 1.719 13.705 -9.509 489 2HA GLY 78 1HA GLY 78 1.155 15.283 -8.957 490 H THR 79 H THR 79 1.721 15.298 -6.296 491 HA THR 79 HA THR 79 4.364 16.042 -6.019 492 HB THR 79 HB THR 79 3.859 14.897 -3.593 493 HG1 THR 79 HG1 THR 79 1.441 15.293 -3.551 494 1HG2 THR 79 1HG2 THR 79 4.110 17.343 -4.282 495 2HG2 THR 79 2HG2 THR 79 3.006 17.024 -2.945 496 3HG2 THR 79 3HG2 THR 79 2.368 17.340 -4.558 497 HA PRO 80 HA PRO 80 6.454 12.182 -6.799 498 1HB PRO 80 2HB PRO 80 8.990 13.130 -6.381 499 2HB PRO 80 1HB PRO 80 8.084 13.421 -7.880 500 1HG PRO 80 2HG PRO 80 8.502 15.226 -5.545 501 2HG PRO 80 1HG PRO 80 8.498 15.604 -7.275 502 1HD PRO 80 2HD PRO 80 6.379 16.109 -5.646 503 2HD PRO 80 1HD PRO 80 6.205 15.742 -7.377 504 H VAL 81 H VAL 81 8.444 11.110 -5.452 505 HA VAL 81 HA VAL 81 8.118 11.645 -2.542 506 HB VAL 81 HB VAL 81 7.566 9.066 -4.007 507 1HG1 VAL 81 1HG1 VAL 81 8.464 9.539 -1.282 508 2HG1 VAL 81 2HG1 VAL 81 8.251 8.010 -2.136 509 3HG1 VAL 81 3HG1 VAL 81 6.882 8.759 -1.313 510 1HG2 VAL 81 1HG2 VAL 81 5.351 9.344 -2.785 511 2HG2 VAL 81 2HG2 VAL 81 5.661 10.507 -4.074 512 3HG2 VAL 81 3HG2 VAL 81 5.879 10.978 -2.387 513 H GLY 82 H GLY 82 9.397 8.753 -4.062 514 1HA GLY 82 2HA GLY 82 12.154 9.599 -4.124 515 2HA GLY 82 1HA GLY 82 11.811 8.659 -2.668 516 H SER 83 H SER 83 13.410 7.148 -3.802 517 HA SER 83 HA SER 83 12.234 5.604 -6.046 518 1HB SER 83 2HB SER 83 14.793 4.809 -4.798 519 2HB SER 83 1HB SER 83 14.416 5.091 -6.496 520 HG SER 83 HG SER 83 15.173 6.896 -4.481 521 H VAL 84 H VAL 84 12.223 3.193 -5.856 522 HA VAL 84 HA VAL 84 11.877 2.237 -3.037 523 HB VAL 84 HB VAL 84 10.045 2.117 -5.421 524 1HG1 VAL 84 1HG1 VAL 84 8.732 0.383 -4.057 525 2HG1 VAL 84 2HG1 VAL 84 10.224 0.123 -3.151 526 3HG1 VAL 84 3HG1 VAL 84 10.176 -0.205 -4.884 527 1HG2 VAL 84 1HG2 VAL 84 9.624 2.607 -2.456 528 2HG2 VAL 84 2HG2 VAL 84 8.379 2.718 -3.700 529 3HG2 VAL 84 3HG2 VAL 84 9.727 3.854 -3.698 530 H ASP 85 H ASP 85 12.441 0.028 -2.735 531 HA ASP 85 HA ASP 85 13.408 -1.517 -5.080 532 1HB ASP 85 2HB ASP 85 15.578 -1.875 -3.732 533 2HB ASP 85 1HB ASP 85 15.369 -0.306 -4.506 534 H CYS 86 H CYS 86 12.049 -3.239 -4.702 535 HA CYS 86 HA CYS 86 11.210 -4.256 -2.175 536 1HB CYS 86 2HB CYS 86 11.551 -5.799 -4.762 537 2HB CYS 86 1HB CYS 86 10.366 -6.092 -3.494 538 H ALA 87 H ALA 87 14.283 -4.420 -3.656 539 HA ALA 87 HA ALA 87 15.141 -7.028 -2.754 540 1HB ALA 87 1HB ALA 87 16.936 -6.407 -3.984 541 2HB ALA 87 2HB ALA 87 17.215 -5.000 -2.959 542 3HB ALA 87 3HB ALA 87 16.085 -4.898 -4.309 543 H THR 88 H THR 88 15.349 -3.755 -1.406 544 HA THR 88 HA THR 88 16.164 -4.970 1.211 545 HB THR 88 HB THR 88 17.997 -3.755 0.119 546 HG1 THR 88 HG1 THR 88 18.472 -2.929 1.974 547 1HG2 THR 88 1HG2 THR 88 17.082 -1.078 0.197 548 2HG2 THR 88 2HG2 THR 88 15.841 -2.008 -0.644 549 3HG2 THR 88 3HG2 THR 88 17.506 -2.027 -1.229 550 H ALA 89 H ALA 89 13.558 -3.792 -0.244 551 HA ALA 89 HA ALA 89 12.680 -2.217 2.142 552 1HB ALA 89 1HB ALA 89 11.395 -0.834 0.563 553 2HB ALA 89 2HB ALA 89 11.959 -1.832 -0.776 554 3HB ALA 89 3HB ALA 89 13.101 -0.839 0.126 555 H ALA 90 H ALA 90 10.291 -2.314 2.483 556 HA ALA 90 HA ALA 90 9.276 -5.041 2.017 557 1HB ALA 90 1HB ALA 90 8.450 -4.537 4.058 558 2HB ALA 90 2HB ALA 90 7.374 -3.369 3.291 559 3HB ALA 90 3HB ALA 90 8.958 -2.859 3.877 560 H CYS 91 H CYS 91 8.729 -5.094 -0.228 561 HA CYS 91 HA CYS 91 7.010 -2.983 -1.381 562 1HB CYS 91 2HB CYS 91 8.545 -5.387 -2.247 563 2HB CYS 91 1HB CYS 91 7.148 -4.960 -3.231 564 H ASN 92 H ASN 92 4.819 -3.270 -1.892 565 HA ASN 92 HA ASN 92 3.548 -5.889 -1.286 566 1HB ASN 92 2HB ASN 92 2.773 -3.220 -0.068 567 2HB ASN 92 1HB ASN 92 1.924 -4.745 0.180 568 1HD2 ASN 92 1HD2 ASN 92 2.651 -6.038 1.891 569 2HD2 ASN 92 2HD2 ASN 92 4.122 -5.815 2.708 570 H LEU 93 H LEU 93 1.017 -5.481 -1.728 571 HA LEU 93 HA LEU 93 0.694 -3.751 -4.142 572 1HB LEU 93 2HB LEU 93 1.234 -5.998 -4.899 573 2HB LEU 93 1HB LEU 93 0.049 -6.695 -3.795 574 HG LEU 93 HG LEU 93 -1.744 -5.434 -5.004 575 1HD1 LEU 93 1HD1 LEU 93 0.331 -4.952 -7.143 576 2HD1 LEU 93 2HD1 LEU 93 -0.010 -3.744 -5.906 577 3HD1 LEU 93 3HD1 LEU 93 -1.286 -4.261 -7.008 578 1HD2 LEU 93 1HD2 LEU 93 -0.045 -7.234 -6.764 579 2HD2 LEU 93 2HD2 LEU 93 -1.768 -6.916 -6.960 580 3HD2 LEU 93 3HD2 LEU 93 -1.190 -7.801 -5.548 581 H GLY 94 H GLY 94 -1.224 -2.601 -4.010 582 1HA GLY 94 2HA GLY 94 -3.385 -3.744 -2.288 583 2HA GLY 94 1HA GLY 94 -2.872 -2.073 -2.051 584 H ALA 95 H ALA 95 -5.514 -2.927 -2.796 585 HA ALA 95 HA ALA 95 -5.724 -1.592 -5.475 586 1HB ALA 95 1HB ALA 95 -7.882 -3.325 -5.272 587 2HB ALA 95 2HB ALA 95 -6.572 -4.237 -4.522 588 3HB ALA 95 3HB ALA 95 -6.402 -3.649 -6.175 589 H GLY 96 H GLY 96 -8.044 -0.742 -5.776 590 1HA GLY 96 2HA GLY 96 -9.975 -0.417 -3.824 591 2HA GLY 96 1HA GLY 96 -8.773 0.812 -3.427 592 H ASN 97 H ASN 97 -10.520 2.365 -3.963 593 HA ASN 97 HA ASN 97 -10.317 3.189 -6.768 594 1HB ASN 97 2HB ASN 97 -12.840 3.135 -7.010 595 2HB ASN 97 1HB ASN 97 -12.073 1.550 -6.936 596 1HD2 ASN 97 1HD2 ASN 97 -14.846 2.045 -6.187 597 2HD2 ASN 97 2HD2 ASN 97 -14.993 1.701 -4.532 598 H SER 98 H SER 98 -11.701 3.735 -3.546 599 HA SER 98 HA SER 98 -10.970 6.470 -3.416 600 1HB SER 98 2HB SER 98 -13.594 7.118 -3.789 601 2HB SER 98 1HB SER 98 -12.370 7.222 -5.053 602 HG SER 98 HG SER 98 -14.458 5.894 -5.318 603 H GLY 99 H GLY 99 -14.054 4.752 -2.725 604 1HA GLY 99 2HA GLY 99 -13.631 5.454 0.155 605 2HA GLY 99 1HA GLY 99 -15.223 5.308 -0.589 606 H LEU 100 H LEU 100 -13.915 2.871 -2.087 607 HA LEU 100 HA LEU 100 -14.388 0.943 0.164 608 1HB LEU 100 2HB LEU 100 -16.110 1.003 -1.614 609 2HB LEU 100 1HB LEU 100 -14.865 0.683 -2.823 610 HG LEU 100 HG LEU 100 -15.190 -1.184 -0.487 611 1HD1 LEU 100 1HD1 LEU 100 -16.837 -1.152 -3.035 612 2HD1 LEU 100 2HD1 LEU 100 -17.439 -1.043 -1.381 613 3HD1 LEU 100 3HD1 LEU 100 -16.719 -2.546 -1.960 614 1HD2 LEU 100 1HD2 LEU 100 -14.663 -2.312 -3.111 615 2HD2 LEU 100 2HD2 LEU 100 -13.685 -2.403 -1.647 616 3HD2 LEU 100 3HD2 LEU 100 -13.517 -1.033 -2.735 617 H ASP 101 H ASP 101 -12.556 -0.149 0.737 618 HA ASP 101 HA ASP 101 -10.272 -0.256 -1.157 619 1HB ASP 101 2HB ASP 101 -9.970 0.498 1.176 620 2HB ASP 101 1HB ASP 101 -10.596 -1.047 1.754 621 H LEU 102 H LEU 102 -9.296 -2.290 -1.722 622 HA LEU 102 HA LEU 102 -11.189 -4.574 -1.660 623 1HB LEU 102 2HB LEU 102 -8.821 -3.722 -3.314 624 2HB LEU 102 1HB LEU 102 -9.415 -5.383 -3.390 625 HG LEU 102 HG LEU 102 -11.152 -2.938 -3.828 626 1HD1 LEU 102 1HD1 LEU 102 -11.113 -3.866 -6.239 627 2HD1 LEU 102 2HD1 LEU 102 -9.664 -4.741 -5.737 628 3HD1 LEU 102 3HD1 LEU 102 -9.691 -2.978 -5.689 629 1HD2 LEU 102 1HD2 LEU 102 -12.169 -5.314 -5.011 630 2HD2 LEU 102 2HD2 LEU 102 -12.839 -4.418 -3.648 631 3HD2 LEU 102 3HD2 LEU 102 -11.691 -5.725 -3.364 632 H GLY 103 H GLY 103 -7.663 -4.752 -1.904 633 1HA GLY 103 2HA GLY 103 -7.409 -5.872 0.804 634 2HA GLY 103 1HA GLY 103 -7.169 -7.030 -0.504 635 H HIS 104 H HIS 104 -5.001 -6.841 0.913 636 HA HIS 104 HA HIS 104 -3.159 -5.125 -0.700 637 1HB HIS 104 2HB HIS 104 -3.779 -4.010 1.442 638 2HB HIS 104 1HB HIS 104 -3.188 -5.419 2.323 639 HD1 HIS 104 HD1 HIS 104 -1.982 -2.565 0.160 640 HD2 HIS 104 HD2 HIS 104 -0.385 -5.580 2.555 641 HE1 HIS 104 HE1 HIS 104 0.491 -2.063 0.392 642 H VAL 105 H VAL 105 -2.469 -7.097 -1.756 643 HA VAL 105 HA VAL 105 -1.469 -9.360 -0.165 644 HB VAL 105 HB VAL 105 -1.507 -8.622 -3.107 645 1HG1 VAL 105 1HG1 VAL 105 0.373 -10.267 -2.127 646 2HG1 VAL 105 2HG1 VAL 105 -0.426 -10.587 -3.664 647 3HG1 VAL 105 3HG1 VAL 105 -0.959 -11.418 -2.202 648 1HG2 VAL 105 1HG2 VAL 105 -3.427 -9.895 -3.247 649 2HG2 VAL 105 2HG2 VAL 105 -3.585 -9.349 -1.578 650 3HG2 VAL 105 3HG2 VAL 105 -2.947 -10.955 -1.924 651 H ALA 106 H ALA 106 0.579 -9.368 0.691 652 HA ALA 106 HA ALA 106 2.554 -7.347 -0.094 653 1HB ALA 106 1HB ALA 106 2.152 -8.221 2.232 654 2HB ALA 106 2HB ALA 106 3.832 -8.362 1.721 655 3HB ALA 106 3HB ALA 106 2.786 -9.780 1.707 656 H LEU 107 H LEU 107 4.458 -7.753 -1.312 657 HA LEU 107 HA LEU 107 4.608 -10.500 -2.547 658 1HB LEU 107 2HB LEU 107 5.496 -7.907 -3.832 659 2HB LEU 107 1HB LEU 107 5.120 -9.440 -4.618 660 HG LEU 107 HG LEU 107 3.110 -7.692 -3.164 661 1HD1 LEU 107 1HD1 LEU 107 3.501 -6.520 -5.138 662 2HD1 LEU 107 2HD1 LEU 107 2.227 -7.629 -5.649 663 3HD1 LEU 107 3HD1 LEU 107 3.911 -7.979 -6.041 664 1HD2 LEU 107 1HD2 LEU 107 2.432 -9.994 -3.041 665 2HD2 LEU 107 2HD2 LEU 107 2.885 -10.284 -4.716 666 3HD2 LEU 107 3HD2 LEU 107 1.495 -9.267 -4.341 667 H THR 108 H THR 108 6.845 -11.044 -3.331 668 HA THR 108 HA THR 108 9.030 -9.643 -1.862 669 HB THR 108 HB THR 108 9.268 -12.548 -1.801 670 HG1 THR 108 HG1 THR 108 7.229 -11.592 -0.151 671 1HG2 THR 108 1HG2 THR 108 8.954 -11.365 0.775 672 2HG2 THR 108 2HG2 THR 108 9.884 -10.253 -0.226 673 3HG2 THR 108 3HG2 THR 108 10.442 -11.910 0.000 674 H PHE 109 H PHE 109 11.210 -10.440 -2.703 675 HA PHE 109 HA PHE 109 11.027 -11.516 -5.492 676 1HB PHE 109 2HB PHE 109 12.231 -8.971 -4.435 677 2HB PHE 109 1HB PHE 109 12.921 -9.729 -5.870 678 HD1 PHE 109 HD1 PHE 109 9.745 -8.417 -4.422 679 HD2 PHE 109 HD2 PHE 109 11.857 -9.554 -7.984 680 HE1 PHE 109 HE1 PHE 109 7.925 -7.460 -5.809 681 HE2 PHE 109 HE2 PHE 109 10.039 -8.597 -9.371 682 HZ PHE 109 HZ PHE 109 8.072 -7.549 -8.283 683 H GLY 110 H GLY 110 12.125 -13.447 -5.268 684 1HA GLY 110 2HA GLY 110 14.752 -13.355 -3.834 685 2HA GLY 110 1HA GLY 110 13.711 -14.780 -3.835 686 2H2' ROM 111 2H2' ROM 111 -10.330 5.186 -8.145 687 2H3' ROM 111 2H3' ROM 111 -8.011 6.983 -10.590 688 H'1 ROM 111 H'1 ROM 111 -4.338 5.419 -11.013 689 3H18 ROM 111 3H18 ROM 111 -4.341 1.416 -0.774 690 2H18 ROM 111 2H18 ROM 111 -2.905 1.690 0.090 691 2H23 ROM 111 2H23 ROM 111 -5.803 7.832 -1.840 692 H1' ROM 111 H1' ROM 111 -8.049 7.689 -7.261 693 H2' ROM 111 H2' ROM 111 -10.926 7.188 -7.988 694 H3' ROM 111 H3' ROM 111 -10.066 7.091 -10.286 695 H4' ROM 111 H4' ROM 111 -10.907 9.210 -9.384 696 1H6B ROM 111 1H6B ROM 111 -10.290 11.451 -9.175 697 3H6B ROM 111 3H6B ROM 111 -9.886 11.567 -7.461 698 2H6B ROM 111 2H6B ROM 111 -8.662 11.917 -8.683 699 1H6A ROM 111 1H6A ROM 111 -7.411 9.924 -9.767 700 3H6A ROM 111 3H6A ROM 111 -7.085 10.523 -8.143 701 2H6A ROM 111 2H6A ROM 111 -7.210 8.792 -8.435 702 1H4B ROM 111 1H4B ROM 111 -10.639 10.639 -12.442 703 3H4B ROM 111 3H4B ROM 111 -11.309 9.102 -11.868 704 2H4B ROM 111 2H4B ROM 111 -11.495 10.571 -10.892 705 1H4A ROM 111 1H4A ROM 111 -9.102 7.931 -11.797 706 3H4A ROM 111 3H4A ROM 111 -8.694 9.377 -12.734 707 2H4A ROM 111 2H4A ROM 111 -7.722 8.937 -11.320 708 H'8 ROM 111 H'8 ROM 111 -0.558 5.361 -8.243 709 H'6 ROM 111 H'6 ROM 111 0.760 6.746 -12.056 710 1H3A ROM 111 1H3A ROM 111 -2.357 5.782 -15.837 711 2H3A ROM 111 2H3A ROM 111 -3.729 6.966 -15.457 712 1H7A ROM 111 1H7A ROM 111 1.335 8.087 -10.428 713 3H7A ROM 111 3H7A ROM 111 1.469 8.040 -8.671 714 2H7A ROM 111 2H7A ROM 111 2.887 7.733 -9.666 715 H3 ROM 111 H3 ROM 111 -4.609 6.692 -6.701 716 H6 ROM 111 H6 ROM 111 -7.155 3.209 -4.303 717 H5 ROM 111 H5 ROM 111 -5.010 2.607 -5.400 718 H12 ROM 111 H12 ROM 111 -5.538 8.979 -5.542 719 H8 ROM 111 H8 ROM 111 -9.167 5.268 -4.608 720 H13 ROM 111 H13 ROM 111 -3.348 3.302 -7.195 721 H10 ROM 111 H10 ROM 111 -9.034 8.600 -3.182 722 H11 ROM 111 H11 ROM 111 -6.966 10.112 -3.723 723 2H14 ROM 111 2H14 ROM 111 -1.271 3.863 -6.051 724 1H14 ROM 111 1H14 ROM 111 -2.067 5.188 -5.193 725 2H17 ROM 111 2H17 ROM 111 -3.273 1.874 -2.677 726 1H17 ROM 111 1H17 ROM 111 -1.757 2.398 -1.947 727 H18 ROM 111 H18 ROM 111 -2.887 3.989 -0.548 728 H20 ROM 111 H20 ROM 111 -5.979 2.241 -1.308 729 H24 ROM 111 H24 ROM 111 -3.845 5.900 -1.822 730 4H18 ROM 111 4H18 ROM 111 -4.353 2.415 0.599 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -16.549 -4.644 4.174 2 2H ALA 1 2H ALA 1 -16.452 -6.311 4.483 3 3H ALA 1 3H ALA 1 -17.167 -5.753 3.047 4 HA ALA 1 HA ALA 1 -14.912 -4.718 2.516 5 1HB ALA 1 1HB ALA 1 -13.393 -6.573 3.977 6 2HB ALA 1 2HB ALA 1 -14.585 -5.959 5.122 7 3HB ALA 1 3HB ALA 1 -13.509 -4.840 4.284 8 HA PRO 2 HA PRO 2 -15.506 -8.302 -0.086 9 1HB PRO 2 2HB PRO 2 -13.960 -7.412 -2.160 10 2HB PRO 2 1HB PRO 2 -15.613 -6.838 -1.870 11 1HG PRO 2 2HG PRO 2 -13.016 -5.540 -1.201 12 2HG PRO 2 1HG PRO 2 -14.518 -4.818 -1.800 13 1HD PRO 2 2HD PRO 2 -13.747 -4.719 0.817 14 2HD PRO 2 1HD PRO 2 -15.445 -4.683 0.293 15 H ALA 3 H ALA 3 -13.401 -9.150 -1.792 16 HA ALA 3 HA ALA 3 -11.200 -9.789 0.136 17 1HB ALA 3 1HB ALA 3 -11.403 -12.053 -0.430 18 2HB ALA 3 2HB ALA 3 -12.174 -11.695 -1.976 19 3HB ALA 3 3HB ALA 3 -13.085 -11.526 -0.475 20 H PHE 4 H PHE 4 -9.333 -10.883 -1.261 21 HA PHE 4 HA PHE 4 -8.967 -10.069 -4.007 22 1HB PHE 4 2HB PHE 4 -8.958 -7.845 -3.005 23 2HB PHE 4 1HB PHE 4 -7.800 -8.364 -1.782 24 HD1 PHE 4 HD1 PHE 4 -8.167 -8.291 -5.517 25 HD2 PHE 4 HD2 PHE 4 -5.545 -7.902 -2.137 26 HE1 PHE 4 HE1 PHE 4 -6.299 -7.694 -7.035 27 HE2 PHE 4 HE2 PHE 4 -3.677 -7.307 -3.656 28 HZ PHE 4 HZ PHE 4 -4.054 -7.203 -6.104 29 H SER 5 H SER 5 -7.478 -11.606 -4.707 30 HA SER 5 HA SER 5 -5.172 -12.220 -2.906 31 1HB SER 5 2HB SER 5 -7.474 -13.786 -3.103 32 2HB SER 5 1HB SER 5 -6.311 -14.608 -4.140 33 HG SER 5 HG SER 5 -6.412 -14.912 -1.645 34 H VAL 6 H VAL 6 -3.401 -13.257 -4.002 35 HA VAL 6 HA VAL 6 -3.465 -13.052 -6.999 36 HB VAL 6 HB VAL 6 -2.253 -11.217 -5.786 37 1HG1 VAL 6 1HG1 VAL 6 -0.104 -11.888 -4.648 38 2HG1 VAL 6 2HG1 VAL 6 -0.631 -13.566 -4.766 39 3HG1 VAL 6 3HG1 VAL 6 -1.557 -12.417 -3.801 40 1HG2 VAL 6 1HG2 VAL 6 -0.376 -11.245 -7.210 41 2HG2 VAL 6 2HG2 VAL 6 -1.517 -12.298 -8.044 42 3HG2 VAL 6 3HG2 VAL 6 -0.203 -12.996 -7.097 43 H SER 7 H SER 7 -1.756 -14.536 -8.002 44 HA SER 7 HA SER 7 -1.818 -17.149 -6.701 45 1HB SER 7 2HB SER 7 -0.945 -15.953 -9.286 46 2HB SER 7 1HB SER 7 -0.188 -17.475 -8.829 47 HG SER 7 HG SER 7 -2.211 -18.405 -8.694 48 HA PRO 8 HA PRO 8 2.853 -16.605 -6.194 49 1HB PRO 8 2HB PRO 8 4.145 -14.497 -7.336 50 2HB PRO 8 1HB PRO 8 3.831 -16.009 -8.211 51 1HG PRO 8 2HG PRO 8 2.396 -13.412 -8.351 52 2HG PRO 8 1HG PRO 8 2.777 -14.559 -9.642 53 1HD PRO 8 2HD PRO 8 0.311 -14.342 -8.471 54 2HD PRO 8 1HD PRO 8 0.926 -15.822 -9.235 55 H ALA 9 H ALA 9 4.336 -15.072 -4.868 56 HA ALA 9 HA ALA 9 3.460 -12.487 -3.995 57 1HB ALA 9 1HB ALA 9 2.514 -13.294 -1.768 58 2HB ALA 9 2HB ALA 9 2.473 -14.909 -2.476 59 3HB ALA 9 3HB ALA 9 1.509 -13.613 -3.180 60 H SER 10 H SER 10 5.889 -14.235 -4.447 61 HA SER 10 HA SER 10 7.604 -13.155 -2.432 62 1HB SER 10 2HB SER 10 7.898 -15.020 -1.008 63 2HB SER 10 1HB SER 10 6.157 -14.949 -1.248 64 HG SER 10 HG SER 10 6.454 -16.951 -1.854 65 H GLY 11 H GLY 11 9.858 -13.954 -2.748 66 1HA GLY 11 2HA GLY 11 11.587 -14.371 -4.306 67 2HA GLY 11 1HA GLY 11 10.780 -15.936 -4.432 68 H LEU 12 H LEU 12 9.551 -12.753 -5.404 69 HA LEU 12 HA LEU 12 8.673 -13.779 -7.984 70 1HB LEU 12 2HB LEU 12 8.865 -10.959 -6.898 71 2HB LEU 12 1HB LEU 12 7.857 -11.493 -8.244 72 HG LEU 12 HG LEU 12 7.637 -12.557 -5.419 73 1HD1 LEU 12 1HD1 LEU 12 6.388 -10.259 -6.831 74 2HD1 LEU 12 2HD1 LEU 12 6.717 -10.482 -5.113 75 3HD1 LEU 12 3HD1 LEU 12 5.319 -11.263 -5.852 76 1HD2 LEU 12 1HD2 LEU 12 5.284 -13.051 -6.753 77 2HD2 LEU 12 2HD2 LEU 12 6.588 -14.220 -6.557 78 3HD2 LEU 12 3HD2 LEU 12 6.476 -13.261 -8.034 79 H SER 13 H SER 13 9.250 -11.535 -9.612 80 HA SER 13 HA SER 13 12.162 -11.143 -9.730 81 1HB SER 13 2HB SER 13 10.685 -13.201 -11.270 82 2HB SER 13 1HB SER 13 11.822 -12.235 -12.205 83 HG SER 13 HG SER 13 12.509 -14.262 -10.924 84 H ASP 14 H ASP 14 12.676 -9.400 -11.111 85 HA ASP 14 HA ASP 14 10.647 -7.502 -11.724 86 1HB ASP 14 2HB ASP 14 13.017 -6.973 -11.381 87 2HB ASP 14 1HB ASP 14 13.450 -7.903 -12.817 88 H GLY 15 H GLY 15 9.267 -7.368 -13.444 89 1HA GLY 15 2HA GLY 15 8.632 -7.545 -15.748 90 2HA GLY 15 1HA GLY 15 10.003 -8.625 -16.011 91 H GLN 16 H GLN 16 9.256 -10.201 -13.575 92 HA GLN 16 HA GLN 16 7.778 -12.284 -14.800 93 1HB GLN 16 2HB GLN 16 9.132 -12.658 -12.845 94 2HB GLN 16 1HB GLN 16 8.205 -11.478 -11.915 95 1HG GLN 16 2HG GLN 16 6.174 -12.931 -12.231 96 2HG GLN 16 1HG GLN 16 7.221 -14.145 -12.965 97 1HE2 GLN 16 1HE2 GLN 16 5.879 -14.881 -10.644 98 2HE2 GLN 16 2HE2 GLN 16 6.962 -14.962 -9.346 99 H SER 17 H SER 17 5.555 -12.945 -14.518 100 HA SER 17 HA SER 17 3.714 -10.661 -13.901 101 1HB SER 17 2HB SER 17 3.208 -13.153 -15.544 102 2HB SER 17 1HB SER 17 2.233 -11.686 -15.512 103 HG SER 17 HG SER 17 4.002 -10.582 -16.417 104 H VAL 18 H VAL 18 1.612 -11.322 -12.932 105 HA VAL 18 HA VAL 18 1.764 -13.845 -11.331 106 HB VAL 18 HB VAL 18 1.055 -12.513 -9.374 107 1HG1 VAL 18 1HG1 VAL 18 3.559 -12.671 -10.392 108 2HG1 VAL 18 2HG1 VAL 18 3.193 -11.829 -8.887 109 3HG1 VAL 18 3HG1 VAL 18 3.354 -10.920 -10.390 110 1HG2 VAL 18 1HG2 VAL 18 1.651 -9.909 -10.561 111 2HG2 VAL 18 2HG2 VAL 18 0.271 -10.399 -9.579 112 3HG2 VAL 18 3HG2 VAL 18 0.258 -10.680 -11.319 113 H SER 19 H SER 19 -0.337 -14.687 -10.760 114 HA SER 19 HA SER 19 -2.523 -13.768 -12.552 115 1HB SER 19 2HB SER 19 -1.531 -16.213 -11.759 116 2HB SER 19 1HB SER 19 -2.945 -16.046 -10.724 117 HG SER 19 HG SER 19 -4.208 -15.782 -12.541 118 H VAL 20 H VAL 20 -3.558 -11.992 -11.579 119 HA VAL 20 HA VAL 20 -4.132 -12.097 -8.663 120 HB VAL 20 HB VAL 20 -4.462 -9.988 -10.811 121 1HG1 VAL 20 1HG1 VAL 20 -4.782 -8.477 -8.781 122 2HG1 VAL 20 2HG1 VAL 20 -5.016 -9.945 -7.833 123 3HG1 VAL 20 3HG1 VAL 20 -6.131 -9.552 -9.143 124 1HG2 VAL 20 1HG2 VAL 20 -2.134 -10.433 -10.281 125 2HG2 VAL 20 2HG2 VAL 20 -2.476 -10.379 -8.552 126 3HG2 VAL 20 3HG2 VAL 20 -2.594 -8.910 -9.520 127 H SER 21 H SER 21 -6.374 -11.382 -8.019 128 HA SER 21 HA SER 21 -8.586 -11.698 -9.877 129 1HB SER 21 2HB SER 21 -9.354 -13.873 -8.976 130 2HB SER 21 1HB SER 21 -7.763 -14.022 -9.716 131 HG SER 21 HG SER 21 -8.548 -14.266 -7.079 132 H VAL 22 H VAL 22 -9.788 -10.063 -8.938 133 HA VAL 22 HA VAL 22 -9.943 -9.870 -5.991 134 HB VAL 22 HB VAL 22 -11.179 -8.112 -8.121 135 1HG1 VAL 22 1HG1 VAL 22 -10.386 -7.737 -5.226 136 2HG1 VAL 22 2HG1 VAL 22 -11.994 -7.589 -5.933 137 3HG1 VAL 22 3HG1 VAL 22 -10.758 -6.385 -6.293 138 1HG2 VAL 22 1HG2 VAL 22 -9.124 -7.432 -8.746 139 2HG2 VAL 22 2HG2 VAL 22 -8.406 -8.640 -7.681 140 3HG2 VAL 22 3HG2 VAL 22 -8.745 -7.020 -7.073 141 H SER 23 H SER 23 -12.180 -9.517 -5.064 142 HA SER 23 HA SER 23 -14.496 -10.439 -6.581 143 1HB SER 23 2HB SER 23 -14.051 -12.637 -6.258 144 2HB SER 23 1HB SER 23 -12.742 -12.272 -5.139 145 HG SER 23 HG SER 23 -14.508 -13.397 -4.156 146 H GLY 24 H GLY 24 -16.401 -10.748 -4.974 147 1HA GLY 24 2HA GLY 24 -17.626 -10.045 -3.083 148 2HA GLY 24 1HA GLY 24 -16.106 -9.553 -2.335 149 H ALA 25 H ALA 25 -15.977 -8.138 -5.276 150 HA ALA 25 HA ALA 25 -16.580 -5.501 -4.221 151 1HB ALA 25 1HB ALA 25 -15.867 -4.803 -6.457 152 2HB ALA 25 2HB ALA 25 -16.041 -6.458 -7.050 153 3HB ALA 25 3HB ALA 25 -14.792 -6.070 -5.868 154 H ALA 26 H ALA 26 -17.726 -4.779 -7.021 155 HA ALA 26 HA ALA 26 -20.372 -6.008 -7.074 156 1HB ALA 26 1HB ALA 26 -20.113 -4.373 -5.028 157 2HB ALA 26 2HB ALA 26 -21.592 -4.340 -5.993 158 3HB ALA 26 3HB ALA 26 -20.342 -3.125 -6.253 159 H ALA 27 H ALA 27 -21.033 -5.862 -9.147 160 HA ALA 27 HA ALA 27 -19.751 -4.605 -11.258 161 1HB ALA 27 1HB ALA 27 -21.492 -5.522 -12.397 162 2HB ALA 27 2HB ALA 27 -22.681 -4.621 -11.458 163 3HB ALA 27 3HB ALA 27 -22.015 -6.124 -10.825 164 H GLY 28 H GLY 28 -19.668 -2.529 -12.026 165 1HA GLY 28 2HA GLY 28 -20.733 -0.364 -12.465 166 2HA GLY 28 1HA GLY 28 -21.583 -0.541 -10.934 167 H GLU 29 H GLU 29 -18.348 -1.563 -10.723 168 HA GLU 29 HA GLU 29 -17.488 1.142 -9.771 169 1HB GLU 29 2HB GLU 29 -17.287 -1.527 -8.354 170 2HB GLU 29 1HB GLU 29 -16.515 -0.046 -7.791 171 1HG GLU 29 2HG GLU 29 -19.012 0.894 -8.115 172 2HG GLU 29 1HG GLU 29 -19.398 -0.796 -7.789 173 H THR 30 H THR 30 -15.337 1.608 -10.162 174 HA THR 30 HA THR 30 -13.726 -0.493 -11.573 175 HB THR 30 HB THR 30 -13.439 2.509 -11.805 176 HG1 THR 30 HG1 THR 30 -15.491 2.208 -12.442 177 1HG2 THR 30 1HG2 THR 30 -11.629 1.055 -12.682 178 2HG2 THR 30 2HG2 THR 30 -12.449 1.935 -13.969 179 3HG2 THR 30 3HG2 THR 30 -12.808 0.230 -13.700 180 H TYR 31 H TYR 31 -11.902 -1.099 -10.462 181 HA TYR 31 HA TYR 31 -10.925 0.713 -8.288 182 1HB TYR 31 2HB TYR 31 -10.619 -2.274 -8.725 183 2HB TYR 31 1HB TYR 31 -10.061 -1.384 -7.308 184 HD1 TYR 31 HD1 TYR 31 -11.903 0.123 -6.132 185 HD2 TYR 31 HD2 TYR 31 -12.743 -3.240 -8.670 186 HE1 TYR 31 HE1 TYR 31 -14.156 -0.081 -5.117 187 HE2 TYR 31 HE2 TYR 31 -14.996 -3.444 -7.654 188 HH TYR 31 HH TYR 31 -15.967 -2.646 -5.165 189 H TYR 32 H TYR 32 -8.585 0.847 -8.010 190 HA TYR 32 HA TYR 32 -7.089 0.394 -10.570 191 1HB TYR 32 2HB TYR 32 -6.512 2.438 -8.409 192 2HB TYR 32 1HB TYR 32 -5.932 2.435 -10.074 193 HD1 TYR 32 HD1 TYR 32 -7.503 2.894 -11.955 194 HD2 TYR 32 HD2 TYR 32 -8.703 3.265 -7.847 195 HE1 TYR 32 HE1 TYR 32 -9.486 4.211 -12.652 196 HE2 TYR 32 HE2 TYR 32 -10.686 4.581 -8.545 197 HH TYR 32 HH TYR 32 -11.327 6.027 -10.520 198 H ILE 33 H ILE 33 -5.698 -1.314 -10.294 199 HA ILE 33 HA ILE 33 -4.665 -1.976 -7.594 200 HB ILE 33 HB ILE 33 -5.542 -3.774 -8.947 201 1HG1 ILE 33 2HG1 ILE 33 -2.880 -4.597 -9.581 202 2HG1 ILE 33 1HG1 ILE 33 -2.812 -3.656 -8.089 203 1HG2 ILE 33 1HG2 ILE 33 -4.132 -2.307 -11.066 204 2HG2 ILE 33 2HG2 ILE 33 -5.523 -3.385 -11.183 205 3HG2 ILE 33 3HG2 ILE 33 -3.890 -4.052 -11.148 206 1HD1 ILE 33 1HD1 ILE 33 -4.258 -6.219 -8.650 207 2HD1 ILE 33 2HD1 ILE 33 -4.931 -5.111 -7.454 208 3HD1 ILE 33 3HD1 ILE 33 -3.304 -5.760 -7.240 209 H ALA 34 H ALA 34 -2.473 -1.795 -7.029 210 HA ALA 34 HA ALA 34 -0.427 -1.192 -9.060 211 1HB ALA 34 1HB ALA 34 -1.961 0.902 -8.227 212 2HB ALA 34 2HB ALA 34 -0.278 1.077 -8.723 213 3HB ALA 34 3HB ALA 34 -0.684 0.948 -7.011 214 H GLN 35 H GLN 35 1.705 -1.313 -8.171 215 HA GLN 35 HA GLN 35 1.865 -2.720 -5.568 216 1HB GLN 35 2HB GLN 35 2.997 -3.552 -7.625 217 2HB GLN 35 1HB GLN 35 3.933 -2.057 -7.695 218 1HG GLN 35 2HG GLN 35 4.968 -2.550 -5.543 219 2HG GLN 35 1HG GLN 35 3.962 -3.988 -5.358 220 1HE2 GLN 35 1HE2 GLN 35 4.125 -5.188 -7.870 221 2HE2 GLN 35 2HE2 GLN 35 5.736 -5.591 -8.221 222 H CYS 36 H CYS 36 2.786 -1.759 -3.735 223 HA CYS 36 HA CYS 36 4.026 0.946 -4.101 224 1HB CYS 36 2HB CYS 36 2.110 0.107 -1.913 225 2HB CYS 36 1HB CYS 36 2.710 1.734 -2.230 226 H ALA 37 H ALA 37 5.034 1.605 -1.869 227 HA ALA 37 HA ALA 37 6.121 -0.642 -0.290 228 1HB ALA 37 1HB ALA 37 7.597 -0.649 -2.197 229 2HB ALA 37 2HB ALA 37 8.471 0.148 -0.888 230 3HB ALA 37 3HB ALA 37 7.734 1.110 -2.169 231 HA PRO 38 HA PRO 38 5.853 2.635 2.658 232 1HB PRO 38 2HB PRO 38 7.408 1.538 4.626 233 2HB PRO 38 1HB PRO 38 5.745 1.020 4.290 234 1HG PRO 38 2HG PRO 38 8.319 -0.228 3.438 235 2HG PRO 38 1HG PRO 38 6.835 -1.000 4.025 236 1HD PRO 38 2HD PRO 38 7.474 -0.903 1.395 237 2HD PRO 38 1HD PRO 38 5.791 -0.864 1.971 238 H VAL 39 H VAL 39 7.259 4.227 3.706 239 HA VAL 39 HA VAL 39 10.128 4.207 2.954 240 HB VAL 39 HB VAL 39 8.141 6.310 2.092 241 1HG1 VAL 39 1HG1 VAL 39 9.925 7.552 1.238 242 2HG1 VAL 39 2HG1 VAL 39 11.007 6.159 1.216 243 3HG1 VAL 39 3HG1 VAL 39 10.600 6.936 2.747 244 1HG2 VAL 39 1HG2 VAL 39 9.097 5.504 -0.208 245 2HG2 VAL 39 2HG2 VAL 39 7.848 4.542 0.582 246 3HG2 VAL 39 3HG2 VAL 39 9.539 4.050 0.688 247 H GLY 40 H GLY 40 9.809 4.001 5.468 248 1HA GLY 40 2HA GLY 40 10.310 5.065 7.513 249 2HA GLY 40 1HA GLY 40 10.444 6.586 6.630 250 H GLY 41 H GLY 41 7.527 5.286 5.765 251 1HA GLY 41 2HA GLY 41 5.595 5.353 7.572 252 2HA GLY 41 1HA GLY 41 6.116 7.033 7.708 253 H GLN 42 H GLN 42 6.717 7.451 4.934 254 HA GLN 42 HA GLN 42 4.060 8.072 3.944 255 1HB GLN 42 2HB GLN 42 6.895 8.260 2.934 256 2HB GLN 42 1HB GLN 42 5.539 8.685 1.890 257 1HG GLN 42 2HG GLN 42 4.899 10.002 4.222 258 2HG GLN 42 1HG GLN 42 6.658 10.140 4.188 259 1HE2 GLN 42 1HE2 GLN 42 4.184 12.012 3.431 260 2HE2 GLN 42 2HE2 GLN 42 4.708 12.711 1.974 261 H ASP 43 H ASP 43 3.194 7.271 1.866 262 HA ASP 43 HA ASP 43 3.958 4.416 1.357 263 1HB ASP 43 2HB ASP 43 1.385 5.997 1.156 264 2HB ASP 43 1HB ASP 43 1.552 4.387 0.456 265 H ALA 44 H ALA 44 5.257 4.370 -0.461 266 HA ALA 44 HA ALA 44 4.711 6.281 -2.684 267 1HB ALA 44 1HB ALA 44 6.995 5.680 -1.481 268 2HB ALA 44 2HB ALA 44 6.957 5.965 -3.220 269 3HB ALA 44 3HB ALA 44 6.975 4.315 -2.597 270 H CYS 45 H CYS 45 3.144 5.438 -4.047 271 HA CYS 45 HA CYS 45 3.100 2.521 -4.613 272 1HB CYS 45 2HB CYS 45 1.293 4.888 -4.979 273 2HB CYS 45 1HB CYS 45 1.017 3.444 -5.950 274 H ASN 46 H ASN 46 2.567 2.051 -7.057 275 HA ASN 46 HA ASN 46 4.601 3.499 -8.708 276 1HB ASN 46 2HB ASN 46 4.536 0.929 -8.114 277 2HB ASN 46 1HB ASN 46 3.328 0.868 -9.395 278 1HD2 ASN 46 1HD2 ASN 46 5.991 -0.349 -9.567 279 2HD2 ASN 46 2HD2 ASN 46 6.811 0.430 -10.832 280 HA PRO 47 HA PRO 47 0.949 4.932 -10.864 281 1HB PRO 47 2HB PRO 47 2.227 6.790 -12.394 282 2HB PRO 47 1HB PRO 47 1.790 7.067 -10.701 283 1HG PRO 47 2HG PRO 47 4.429 6.463 -11.889 284 2HG PRO 47 1HG PRO 47 4.029 7.394 -10.440 285 1HD PRO 47 2HD PRO 47 4.985 4.762 -10.485 286 2HD PRO 47 1HD PRO 47 4.226 5.573 -9.097 287 H ALA 48 H ALA 48 4.029 4.104 -12.397 288 HA ALA 48 HA ALA 48 3.117 3.861 -15.084 289 1HB ALA 48 1HB ALA 48 5.224 2.167 -13.742 290 2HB ALA 48 2HB ALA 48 5.478 3.880 -14.076 291 3HB ALA 48 3HB ALA 48 5.204 2.754 -15.405 292 H THR 49 H THR 49 3.476 1.353 -12.567 293 HA THR 49 HA THR 49 2.009 -0.597 -14.234 294 HB THR 49 HB THR 49 2.522 -2.000 -12.130 295 HG1 THR 49 HG1 THR 49 2.986 0.271 -11.117 296 1HG2 THR 49 1HG2 THR 49 4.318 -2.667 -13.305 297 2HG2 THR 49 2HG2 THR 49 5.152 -1.144 -12.999 298 3HG2 THR 49 3HG2 THR 49 4.044 -1.284 -14.364 299 H ALA 50 H ALA 50 0.342 1.552 -13.594 300 HA ALA 50 HA ALA 50 -1.361 0.529 -11.352 301 1HB ALA 50 1HB ALA 50 -2.122 3.114 -12.341 302 2HB ALA 50 2HB ALA 50 -0.371 3.087 -12.132 303 3HB ALA 50 3HB ALA 50 -1.428 2.710 -10.771 304 H THR 51 H THR 51 -2.356 -1.102 -12.773 305 HA THR 51 HA THR 51 -3.789 -0.223 -15.178 306 HB THR 51 HB THR 51 -4.439 -2.613 -15.217 307 HG1 THR 51 HG1 THR 51 -3.461 -3.876 -13.458 308 1HG2 THR 51 1HG2 THR 51 -2.355 -3.301 -15.861 309 2HG2 THR 51 2HG2 THR 51 -1.602 -2.754 -14.364 310 3HG2 THR 51 3HG2 THR 51 -1.975 -1.594 -15.638 311 H SER 52 H SER 52 -6.060 -0.073 -15.372 312 HA SER 52 HA SER 52 -7.575 0.028 -12.781 313 1HB SER 52 2HB SER 52 -7.084 2.163 -14.095 314 2HB SER 52 1HB SER 52 -8.136 1.526 -15.356 315 HG SER 52 HG SER 52 -9.007 1.602 -12.681 316 H PHE 53 H PHE 53 -9.372 -1.285 -12.673 317 HA PHE 53 HA PHE 53 -10.507 -2.353 -15.224 318 1HB PHE 53 2HB PHE 53 -10.456 -4.612 -14.209 319 2HB PHE 53 1HB PHE 53 -8.834 -3.932 -14.331 320 HD1 PHE 53 HD1 PHE 53 -11.245 -5.380 -12.136 321 HD2 PHE 53 HD2 PHE 53 -7.959 -2.617 -12.253 322 HE1 PHE 53 HE1 PHE 53 -10.960 -5.616 -9.684 323 HE2 PHE 53 HE2 PHE 53 -7.673 -2.852 -9.802 324 HZ PHE 53 HZ PHE 53 -9.174 -4.351 -8.517 325 H THR 54 H THR 54 -12.598 -3.624 -14.660 326 HA THR 54 HA THR 54 -14.020 -2.321 -12.366 327 HB THR 54 HB THR 54 -14.919 -2.753 -15.230 328 HG1 THR 54 HG1 THR 54 -15.001 -0.492 -15.208 329 1HG2 THR 54 1HG2 THR 54 -16.447 -1.581 -12.891 330 2HG2 THR 54 2HG2 THR 54 -16.736 -3.175 -13.589 331 3HG2 THR 54 3HG2 THR 54 -17.030 -1.725 -14.549 332 H THR 55 H THR 55 -15.633 -3.662 -11.383 333 HA THR 55 HA THR 55 -15.181 -6.537 -11.675 334 HB THR 55 HB THR 55 -17.216 -6.409 -9.977 335 HG1 THR 55 HG1 THR 55 -17.891 -4.389 -10.040 336 1HG2 THR 55 1HG2 THR 55 -15.343 -6.984 -8.830 337 2HG2 THR 55 2HG2 THR 55 -15.280 -5.278 -8.387 338 3HG2 THR 55 3HG2 THR 55 -14.330 -5.867 -9.747 339 H ASP 56 H ASP 56 -17.230 -7.981 -11.806 340 HA ASP 56 HA ASP 56 -18.811 -7.095 -14.177 341 1HB ASP 56 2HB ASP 56 -17.421 -9.434 -13.420 342 2HB ASP 56 1HB ASP 56 -19.133 -9.855 -13.364 343 H ALA 57 H ALA 57 -21.000 -8.803 -13.892 344 HA ALA 57 HA ALA 57 -22.683 -7.347 -12.079 345 1HB ALA 57 1HB ALA 57 -23.961 -8.298 -13.711 346 2HB ALA 57 2HB ALA 57 -24.000 -9.694 -12.635 347 3HB ALA 57 3HB ALA 57 -22.823 -9.624 -13.947 348 H SER 58 H SER 58 -20.725 -10.217 -11.718 349 HA SER 58 HA SER 58 -22.013 -10.929 -9.143 350 1HB SER 58 2HB SER 58 -20.639 -12.910 -9.342 351 2HB SER 58 1HB SER 58 -21.309 -12.578 -10.937 352 HG SER 58 HG SER 58 -18.959 -13.014 -10.766 353 H GLY 59 H GLY 59 -20.040 -8.540 -9.942 354 1HA GLY 59 2HA GLY 59 -18.356 -7.331 -8.848 355 2HA GLY 59 1HA GLY 59 -18.946 -8.097 -7.377 356 H ALA 60 H ALA 60 -17.172 -9.178 -10.297 357 HA ALA 60 HA ALA 60 -14.982 -10.163 -8.547 358 1HB ALA 60 1HB ALA 60 -15.902 -12.230 -8.546 359 2HB ALA 60 2HB ALA 60 -15.516 -12.303 -10.264 360 3HB ALA 60 3HB ALA 60 -17.109 -11.757 -9.741 361 H ALA 61 H ALA 61 -13.022 -10.579 -9.746 362 HA ALA 61 HA ALA 61 -13.002 -10.159 -12.667 363 1HB ALA 61 1HB ALA 61 -11.978 -8.195 -10.619 364 2HB ALA 61 2HB ALA 61 -13.007 -7.885 -12.017 365 3HB ALA 61 3HB ALA 61 -11.296 -8.245 -12.245 366 H SER 62 H SER 62 -11.125 -11.015 -13.594 367 HA SER 62 HA SER 62 -8.913 -11.880 -11.787 368 1HB SER 62 2HB SER 62 -9.180 -14.128 -12.378 369 2HB SER 62 1HB SER 62 -10.855 -13.592 -12.304 370 HG SER 62 HG SER 62 -10.811 -13.321 -14.541 371 H PHE 63 H PHE 63 -6.922 -11.521 -12.784 372 HA PHE 63 HA PHE 63 -6.624 -11.690 -15.683 373 1HB PHE 63 2HB PHE 63 -6.218 -9.279 -16.004 374 2HB PHE 63 1HB PHE 63 -7.844 -9.557 -15.382 375 HD1 PHE 63 HD1 PHE 63 -4.467 -8.323 -14.576 376 HD2 PHE 63 HD2 PHE 63 -8.447 -8.961 -13.091 377 HE1 PHE 63 HE1 PHE 63 -3.968 -6.874 -12.625 378 HE2 PHE 63 HE2 PHE 63 -7.947 -7.513 -11.141 379 HZ PHE 63 HZ PHE 63 -5.713 -6.469 -10.906 380 H SER 64 H SER 64 -4.356 -10.943 -16.308 381 HA SER 64 HA SER 64 -2.469 -11.751 -14.171 382 1HB SER 64 2HB SER 64 -1.734 -11.139 -17.008 383 2HB SER 64 1HB SER 64 -1.099 -12.388 -15.942 384 HG SER 64 HG SER 64 -3.297 -12.402 -17.602 385 H PHE 65 H PHE 65 -0.746 -10.394 -13.526 386 HA PHE 65 HA PHE 65 -0.683 -7.621 -14.602 387 1HB PHE 65 2HB PHE 65 -2.093 -7.505 -12.677 388 2HB PHE 65 1HB PHE 65 -1.036 -8.580 -11.761 389 HD1 PHE 65 HD1 PHE 65 -1.051 -5.276 -13.509 390 HD2 PHE 65 HD2 PHE 65 0.628 -7.691 -10.384 391 HE1 PHE 65 HE1 PHE 65 0.220 -3.319 -12.682 392 HE2 PHE 65 HE2 PHE 65 1.899 -5.738 -9.555 393 HZ PHE 65 HZ PHE 65 1.698 -3.545 -10.699 394 H VAL 66 H VAL 66 1.430 -7.021 -14.990 395 HA VAL 66 HA VAL 66 3.600 -8.823 -14.198 396 HB VAL 66 HB VAL 66 3.841 -6.099 -15.463 397 1HG1 VAL 66 1HG1 VAL 66 5.718 -7.185 -16.637 398 2HG1 VAL 66 2HG1 VAL 66 5.352 -8.704 -15.816 399 3HG1 VAL 66 3HG1 VAL 66 5.912 -7.312 -14.889 400 1HG2 VAL 66 1HG2 VAL 66 2.294 -6.876 -16.968 401 2HG2 VAL 66 2HG2 VAL 66 2.542 -8.559 -16.505 402 3HG2 VAL 66 3HG2 VAL 66 3.679 -7.768 -17.596 403 H VAL 67 H VAL 67 5.482 -8.075 -12.999 404 HA VAL 67 HA VAL 67 4.885 -5.848 -11.081 405 HB VAL 67 HB VAL 67 6.225 -7.386 -9.482 406 1HG1 VAL 67 1HG1 VAL 67 3.706 -6.970 -9.534 407 2HG1 VAL 67 2HG1 VAL 67 4.214 -8.497 -8.810 408 3HG1 VAL 67 3HG1 VAL 67 3.570 -8.469 -10.452 409 1HG2 VAL 67 1HG2 VAL 67 6.749 -8.836 -11.697 410 2HG2 VAL 67 2HG2 VAL 67 5.268 -9.648 -11.186 411 3HG2 VAL 67 3HG2 VAL 67 6.653 -9.573 -10.098 412 H ARG 68 H ARG 68 7.041 -5.191 -9.940 413 HA ARG 68 HA ARG 68 9.408 -5.487 -11.714 414 1HB ARG 68 2HB ARG 68 7.658 -3.143 -11.408 415 2HB ARG 68 1HB ARG 68 9.373 -2.786 -11.188 416 1HG ARG 68 2HG ARG 68 9.862 -3.174 -13.370 417 2HG ARG 68 1HG ARG 68 8.788 -4.570 -13.458 418 1HD ARG 68 2HD ARG 68 7.408 -3.228 -14.678 419 2HD ARG 68 1HD ARG 68 7.042 -2.414 -13.142 420 HE ARG 68 HE ARG 68 9.340 -1.576 -14.865 421 1HH1 ARG 68 1HH2 ARG 68 6.460 -0.375 -14.995 422 2HH1 ARG 68 2HH2 ARG 68 6.706 1.080 -14.088 423 1HH2 ARG 68 1HH1 ARG 68 9.744 0.055 -12.763 424 2HH2 ARG 68 2HH1 ARG 68 8.566 1.323 -12.824 425 H LYS 69 H LYS 69 10.734 -6.362 -10.141 426 HA LYS 69 HA LYS 69 10.813 -6.107 -7.420 427 1HB LYS 69 2HB LYS 69 12.380 -7.409 -8.808 428 2HB LYS 69 1HB LYS 69 13.163 -5.914 -9.324 429 1HG LYS 69 2HG LYS 69 13.500 -5.444 -6.808 430 2HG LYS 69 1HG LYS 69 13.125 -7.151 -6.578 431 1HD LYS 69 2HD LYS 69 14.987 -6.955 -8.724 432 2HD LYS 69 1HD LYS 69 15.599 -5.986 -7.383 433 1HE LYS 69 2HE LYS 69 15.124 -7.966 -5.862 434 2HE LYS 69 1HE LYS 69 14.834 -8.916 -7.332 435 1HZ LYS 69 1HZ LYS 69 17.114 -9.144 -6.919 436 2HZ LYS 69 2HZ LYS 69 17.304 -7.503 -6.522 437 3HZ LYS 69 3HZ LYS 69 17.023 -7.965 -8.133 438 H SER 70 H SER 70 12.473 -3.808 -9.611 439 HA SER 70 HA SER 70 12.455 -1.812 -7.375 440 1HB SER 70 2HB SER 70 14.282 -0.961 -9.245 441 2HB SER 70 1HB SER 70 14.679 -1.951 -7.844 442 HG SER 70 HG SER 70 15.148 -3.481 -9.193 443 H TYR 71 H TYR 71 11.683 0.282 -7.836 444 HA TYR 71 HA TYR 71 11.084 1.210 -10.515 445 1HB TYR 71 2HB TYR 71 8.698 0.908 -10.488 446 2HB TYR 71 1HB TYR 71 9.397 -0.649 -10.039 447 HD1 TYR 71 HD1 TYR 71 7.880 2.465 -8.658 448 HD2 TYR 71 HD2 TYR 71 8.974 -1.624 -7.915 449 HE1 TYR 71 HE1 TYR 71 6.648 2.525 -6.505 450 HE2 TYR 71 HE2 TYR 71 7.742 -1.563 -5.764 451 HH TYR 71 HH TYR 71 6.003 1.374 -4.724 452 H THR 72 H THR 72 10.471 3.429 -10.463 453 HA THR 72 HA THR 72 11.109 4.924 -8.105 454 HB THR 72 HB THR 72 9.338 6.045 -10.219 455 HG1 THR 72 HG1 THR 72 10.763 5.746 -11.786 456 1HG2 THR 72 1HG2 THR 72 10.300 7.567 -8.629 457 2HG2 THR 72 2HG2 THR 72 11.160 7.796 -10.152 458 3HG2 THR 72 3HG2 THR 72 11.903 6.867 -8.850 459 H GLY 73 H GLY 73 9.845 5.282 -6.327 460 1HA GLY 73 2HA GLY 73 6.960 4.596 -6.503 461 2HA GLY 73 1HA GLY 73 7.881 4.774 -5.010 462 H SER 74 H SER 74 5.396 6.061 -5.461 463 HA SER 74 HA SER 74 6.108 8.817 -4.842 464 1HB SER 74 2HB SER 74 4.947 8.054 -7.528 465 2HB SER 74 1HB SER 74 4.836 9.689 -6.885 466 HG SER 74 HG SER 74 6.935 9.947 -7.162 467 H THR 75 H THR 75 4.506 9.501 -3.453 468 HA THR 75 HA THR 75 2.235 7.952 -2.772 469 HB THR 75 HB THR 75 1.511 10.126 -1.692 470 HG1 THR 75 HG1 THR 75 2.966 11.860 -1.944 471 1HG2 THR 75 1HG2 THR 75 4.090 8.741 -1.371 472 2HG2 THR 75 2HG2 THR 75 2.856 9.119 -0.167 473 3HG2 THR 75 3HG2 THR 75 4.030 10.347 -0.645 474 HA PRO 76 HA PRO 76 -0.500 8.818 -6.116 475 1HB PRO 76 2HB PRO 76 -2.832 8.037 -4.923 476 2HB PRO 76 1HB PRO 76 -1.611 6.890 -5.510 477 1HG PRO 76 2HG PRO 76 -2.156 7.815 -2.735 478 2HG PRO 76 1HG PRO 76 -1.676 6.215 -3.320 479 1HD PRO 76 2HD PRO 76 0.050 7.998 -2.150 480 2HD PRO 76 1HD PRO 76 0.551 6.729 -3.289 481 H GLU 77 H GLU 77 -0.281 10.597 -3.304 482 HA GLU 77 HA GLU 77 -2.730 12.168 -3.456 483 1HB GLU 77 2HB GLU 77 -0.120 12.197 -1.989 484 2HB GLU 77 1HB GLU 77 -1.103 13.661 -1.969 485 1HG GLU 77 2HG GLU 77 -2.694 12.728 -0.639 486 2HG GLU 77 1HG GLU 77 -2.605 11.172 -1.466 487 H GLY 78 H GLY 78 -0.211 11.994 -5.578 488 1HA GLY 78 2HA GLY 78 -0.119 13.504 -7.499 489 2HA GLY 78 1HA GLY 78 -0.637 14.816 -6.438 490 H THR 79 H THR 79 1.265 13.888 -4.309 491 HA THR 79 HA THR 79 3.633 15.339 -5.324 492 HB THR 79 HB THR 79 3.558 14.192 -2.591 493 HG1 THR 79 HG1 THR 79 1.976 15.912 -2.078 494 1HG2 THR 79 1HG2 THR 79 5.217 15.811 -2.935 495 2HG2 THR 79 2HG2 THR 79 3.931 16.734 -2.160 496 3HG2 THR 79 3HG2 THR 79 4.156 16.829 -3.907 497 HA PRO 80 HA PRO 80 5.851 11.563 -5.866 498 1HB PRO 80 2HB PRO 80 8.346 12.616 -6.195 499 2HB PRO 80 1HB PRO 80 7.082 12.721 -7.436 500 1HG PRO 80 2HG PRO 80 8.116 14.810 -5.630 501 2HG PRO 80 1HG PRO 80 7.358 14.963 -7.220 502 1HD PRO 80 2HD PRO 80 6.137 15.418 -4.707 503 2HD PRO 80 1HD PRO 80 5.332 15.352 -6.289 504 H VAL 81 H VAL 81 8.060 10.605 -4.954 505 HA VAL 81 HA VAL 81 8.503 11.470 -2.135 506 HB VAL 81 HB VAL 81 7.621 8.802 -3.199 507 1HG1 VAL 81 1HG1 VAL 81 8.785 9.332 -0.452 508 2HG1 VAL 81 2HG1 VAL 81 9.645 8.504 -1.750 509 3HG1 VAL 81 3HG1 VAL 81 8.188 7.788 -1.062 510 1HG2 VAL 81 1HG2 VAL 81 5.885 10.381 -2.461 511 2HG2 VAL 81 2HG2 VAL 81 6.700 10.559 -0.906 512 3HG2 VAL 81 3HG2 VAL 81 5.980 9.012 -1.353 513 H GLY 82 H GLY 82 9.525 8.695 -4.114 514 1HA GLY 82 2HA GLY 82 12.120 9.638 -4.767 515 2HA GLY 82 1HA GLY 82 12.235 8.771 -3.234 516 H SER 83 H SER 83 13.647 7.435 -4.855 517 HA SER 83 HA SER 83 12.153 5.664 -6.658 518 1HB SER 83 2HB SER 83 14.327 4.888 -7.229 519 2HB SER 83 1HB SER 83 14.543 6.600 -6.878 520 HG SER 83 HG SER 83 16.083 5.598 -5.701 521 H VAL 84 H VAL 84 11.953 3.366 -6.330 522 HA VAL 84 HA VAL 84 12.274 2.486 -3.477 523 HB VAL 84 HB VAL 84 10.054 2.163 -5.492 524 1HG1 VAL 84 1HG1 VAL 84 10.851 0.338 -3.260 525 2HG1 VAL 84 2HG1 VAL 84 10.081 -0.046 -4.800 526 3HG1 VAL 84 3HG1 VAL 84 9.132 0.655 -3.490 527 1HG2 VAL 84 1HG2 VAL 84 10.036 4.082 -3.912 528 2HG2 VAL 84 2HG2 VAL 84 10.112 2.950 -2.561 529 3HG2 VAL 84 3HG2 VAL 84 8.696 2.974 -3.614 530 H ASP 85 H ASP 85 12.786 0.219 -3.210 531 HA ASP 85 HA ASP 85 13.386 -1.390 -5.614 532 1HB ASP 85 2HB ASP 85 15.493 -0.420 -3.657 533 2HB ASP 85 1HB ASP 85 15.780 -1.582 -4.953 534 H CYS 86 H CYS 86 12.541 -3.338 -5.028 535 HA CYS 86 HA CYS 86 11.975 -4.184 -2.366 536 1HB CYS 86 2HB CYS 86 11.395 -4.953 -4.942 537 2HB CYS 86 1HB CYS 86 12.445 -6.262 -4.403 538 H ALA 87 H ALA 87 14.952 -4.039 -4.028 539 HA ALA 87 HA ALA 87 16.317 -6.353 -3.107 540 1HB ALA 87 1HB ALA 87 18.145 -4.246 -3.118 541 2HB ALA 87 2HB ALA 87 16.880 -3.719 -4.229 542 3HB ALA 87 3HB ALA 87 17.718 -5.246 -4.505 543 H THR 88 H THR 88 16.247 -3.092 -1.685 544 HA THR 88 HA THR 88 16.847 -4.331 0.978 545 HB THR 88 HB THR 88 18.753 -3.095 0.196 546 HG1 THR 88 HG1 THR 88 18.386 -2.546 2.279 547 1HG2 THR 88 1HG2 THR 88 18.439 -0.674 -0.519 548 2HG2 THR 88 2HG2 THR 88 16.709 -1.010 -0.586 549 3HG2 THR 88 3HG2 THR 88 17.818 -1.883 -1.643 550 H ALA 89 H ALA 89 14.323 -3.309 -0.628 551 HA ALA 89 HA ALA 89 13.225 -1.667 1.617 552 1HB ALA 89 1HB ALA 89 13.770 -0.742 -0.838 553 2HB ALA 89 2HB ALA 89 12.363 -0.183 0.068 554 3HB ALA 89 3HB ALA 89 12.181 -1.429 -1.167 555 H ALA 90 H ALA 90 10.966 -2.056 2.094 556 HA ALA 90 HA ALA 90 10.092 -4.800 1.645 557 1HB ALA 90 1HB ALA 90 9.045 -2.324 3.011 558 2HB ALA 90 2HB ALA 90 9.564 -3.845 3.738 559 3HB ALA 90 3HB ALA 90 8.032 -3.760 2.870 560 H CYS 91 H CYS 91 7.960 -5.314 0.625 561 HA CYS 91 HA CYS 91 6.995 -3.270 -1.328 562 1HB CYS 91 2HB CYS 91 7.714 -6.127 -2.040 563 2HB CYS 91 1HB CYS 91 7.255 -4.837 -3.151 564 H ASN 92 H ASN 92 4.815 -3.587 -1.950 565 HA ASN 92 HA ASN 92 3.347 -5.959 -0.958 566 1HB ASN 92 2HB ASN 92 1.938 -4.678 0.502 567 2HB ASN 92 1HB ASN 92 3.591 -4.196 0.880 568 1HD2 ASN 92 1HD2 ASN 92 0.563 -3.113 -0.580 569 2HD2 ASN 92 2HD2 ASN 92 1.022 -1.490 -0.763 570 H LEU 93 H LEU 93 0.840 -5.363 -1.432 571 HA LEU 93 HA LEU 93 0.603 -3.847 -3.981 572 1HB LEU 93 2HB LEU 93 1.150 -6.170 -4.554 573 2HB LEU 93 1HB LEU 93 -0.131 -6.753 -3.493 574 HG LEU 93 HG LEU 93 -1.795 -5.529 -4.899 575 1HD1 LEU 93 1HD1 LEU 93 0.261 -5.268 -7.050 576 2HD1 LEU 93 2HD1 LEU 93 0.240 -4.040 -5.788 577 3HD1 LEU 93 3HD1 LEU 93 -1.196 -4.316 -6.771 578 1HD2 LEU 93 1HD2 LEU 93 -1.338 -7.035 -7.000 579 2HD2 LEU 93 2HD2 LEU 93 -1.659 -7.807 -5.447 580 3HD2 LEU 93 3HD2 LEU 93 -0.002 -7.666 -6.035 581 H GLY 94 H GLY 94 -1.436 -2.836 -4.129 582 1HA GLY 94 2HA GLY 94 -3.589 -3.809 -2.324 583 2HA GLY 94 1HA GLY 94 -3.046 -2.143 -2.110 584 H ALA 95 H ALA 95 -5.697 -3.013 -2.908 585 HA ALA 95 HA ALA 95 -5.919 -1.437 -5.425 586 1HB ALA 95 1HB ALA 95 -7.337 -3.277 -6.387 587 2HB ALA 95 2HB ALA 95 -6.894 -4.280 -5.006 588 3HB ALA 95 3HB ALA 95 -5.655 -3.752 -6.145 589 H GLY 96 H GLY 96 -8.142 -0.646 -5.743 590 1HA GLY 96 2HA GLY 96 -10.497 -1.118 -4.540 591 2HA GLY 96 1HA GLY 96 -9.612 -0.425 -3.182 592 H ASN 97 H ASN 97 -11.218 1.333 -3.248 593 HA ASN 97 HA ASN 97 -10.391 3.456 -5.147 594 1HB ASN 97 2HB ASN 97 -12.775 1.887 -5.304 595 2HB ASN 97 1HB ASN 97 -13.232 3.532 -4.860 596 1HD2 ASN 97 1HD2 ASN 97 -13.545 4.864 -6.640 597 2HD2 ASN 97 2HD2 ASN 97 -12.760 4.700 -8.134 598 H SER 98 H SER 98 -11.601 5.580 -4.456 599 HA SER 98 HA SER 98 -10.904 6.265 -1.798 600 1HB SER 98 2HB SER 98 -11.442 7.674 -3.905 601 2HB SER 98 1HB SER 98 -13.120 7.563 -3.383 602 HG SER 98 HG SER 98 -11.947 9.421 -2.575 603 H GLY 99 H GLY 99 -14.025 5.178 -3.133 604 1HA GLY 99 2HA GLY 99 -15.298 5.410 -0.478 605 2HA GLY 99 1HA GLY 99 -16.100 4.918 -1.970 606 H LEU 100 H LEU 100 -15.563 2.724 -2.798 607 HA LEU 100 HA LEU 100 -15.390 0.808 -0.552 608 1HB LEU 100 2HB LEU 100 -17.126 0.711 -2.346 609 2HB LEU 100 1HB LEU 100 -15.846 0.425 -3.527 610 HG LEU 100 HG LEU 100 -15.947 -1.347 -1.124 611 1HD1 LEU 100 1HD1 LEU 100 -18.304 -1.007 -2.294 612 2HD1 LEU 100 2HD1 LEU 100 -17.749 -2.619 -1.846 613 3HD1 LEU 100 3HD1 LEU 100 -17.603 -2.069 -3.515 614 1HD2 LEU 100 1HD2 LEU 100 -14.187 -1.954 -2.495 615 2HD2 LEU 100 2HD2 LEU 100 -15.000 -1.406 -3.957 616 3HD2 LEU 100 3HD2 LEU 100 -15.459 -2.938 -3.217 617 H ASP 101 H ASP 101 -13.488 -0.206 -0.050 618 HA ASP 101 HA ASP 101 -11.257 -0.113 -2.043 619 1HB ASP 101 2HB ASP 101 -9.848 -0.401 -0.022 620 2HB ASP 101 1HB ASP 101 -10.928 0.983 0.146 621 H LEU 102 H LEU 102 -9.668 -2.147 -1.334 622 HA LEU 102 HA LEU 102 -11.391 -4.585 -1.293 623 1HB LEU 102 2HB LEU 102 -9.007 -3.934 -3.051 624 2HB LEU 102 1HB LEU 102 -9.832 -5.493 -3.023 625 HG LEU 102 HG LEU 102 -11.409 -2.974 -3.487 626 1HD1 LEU 102 1HD1 LEU 102 -9.265 -3.717 -5.122 627 2HD1 LEU 102 2HD1 LEU 102 -10.602 -2.660 -5.573 628 3HD1 LEU 102 3HD1 LEU 102 -10.682 -4.385 -5.932 629 1HD2 LEU 102 1HD2 LEU 102 -12.419 -5.290 -3.055 630 2HD2 LEU 102 2HD2 LEU 102 -11.753 -5.761 -4.619 631 3HD2 LEU 102 3HD2 LEU 102 -12.956 -4.475 -4.525 632 H GLY 103 H GLY 103 -8.127 -5.302 -1.819 633 1HA GLY 103 2HA GLY 103 -7.477 -5.382 1.078 634 2HA GLY 103 1HA GLY 103 -7.442 -6.893 0.168 635 H HIS 104 H HIS 104 -5.092 -6.516 1.137 636 HA HIS 104 HA HIS 104 -3.468 -5.356 -1.090 637 1HB HIS 104 2HB HIS 104 -2.602 -5.088 1.780 638 2HB HIS 104 1HB HIS 104 -2.193 -4.067 0.404 639 HD1 HIS 104 HD1 HIS 104 -4.225 -4.034 3.338 640 HD2 HIS 104 HD2 HIS 104 -4.770 -2.670 -0.563 641 HE1 HIS 104 HE1 HIS 104 -6.104 -2.337 3.429 642 H VAL 105 H VAL 105 -2.075 -6.932 -1.834 643 HA VAL 105 HA VAL 105 -1.485 -9.266 -0.063 644 HB VAL 105 HB VAL 105 -1.184 -8.761 -3.042 645 1HG1 VAL 105 1HG1 VAL 105 0.161 -10.643 -1.448 646 2HG1 VAL 105 2HG1 VAL 105 -0.006 -10.682 -3.202 647 3HG1 VAL 105 3HG1 VAL 105 -1.165 -11.541 -2.187 648 1HG2 VAL 105 1HG2 VAL 105 -2.993 -10.696 -2.904 649 2HG2 VAL 105 2HG2 VAL 105 -3.471 -9.010 -2.713 650 3HG2 VAL 105 3HG2 VAL 105 -3.261 -10.032 -1.293 651 H ALA 106 H ALA 106 0.586 -9.595 0.703 652 HA ALA 106 HA ALA 106 2.614 -7.525 0.226 653 1HB ALA 106 1HB ALA 106 3.004 -10.111 1.718 654 2HB ALA 106 2HB ALA 106 1.958 -8.856 2.382 655 3HB ALA 106 3HB ALA 106 3.663 -8.517 2.083 656 H LEU 107 H LEU 107 4.744 -7.988 -0.643 657 HA LEU 107 HA LEU 107 4.936 -10.512 -2.255 658 1HB LEU 107 2HB LEU 107 5.775 -7.754 -3.181 659 2HB LEU 107 1HB LEU 107 5.591 -9.210 -4.160 660 HG LEU 107 HG LEU 107 3.301 -7.897 -2.672 661 1HD1 LEU 107 1HD1 LEU 107 4.639 -7.060 -5.067 662 2HD1 LEU 107 2HD1 LEU 107 3.206 -6.364 -4.312 663 3HD1 LEU 107 3HD1 LEU 107 3.038 -7.661 -5.496 664 1HD2 LEU 107 1HD2 LEU 107 2.414 -9.371 -4.886 665 2HD2 LEU 107 2HD2 LEU 107 2.291 -9.848 -3.193 666 3HD2 LEU 107 3HD2 LEU 107 3.672 -10.371 -4.160 667 H THR 108 H THR 108 7.270 -10.921 -2.931 668 HA THR 108 HA THR 108 9.324 -9.516 -1.329 669 HB THR 108 HB THR 108 9.437 -12.427 -0.979 670 HG1 THR 108 HG1 THR 108 7.712 -12.292 0.622 671 1HG2 THR 108 1HG2 THR 108 9.470 -10.038 0.876 672 2HG2 THR 108 2HG2 THR 108 10.869 -10.929 0.274 673 3HG2 THR 108 3HG2 THR 108 9.747 -11.700 1.396 674 H PHE 109 H PHE 109 10.939 -9.203 -2.781 675 HA PHE 109 HA PHE 109 11.274 -11.075 -5.056 676 1HB PHE 109 2HB PHE 109 12.271 -8.343 -4.265 677 2HB PHE 109 1HB PHE 109 12.994 -9.211 -5.619 678 HD1 PHE 109 HD1 PHE 109 9.616 -8.286 -4.263 679 HD2 PHE 109 HD2 PHE 109 12.058 -8.968 -7.727 680 HE1 PHE 109 HE1 PHE 109 7.739 -7.580 -5.731 681 HE2 PHE 109 HE2 PHE 109 10.191 -8.264 -9.195 682 HZ PHE 109 HZ PHE 109 8.029 -7.570 -8.201 683 H GLY 110 H GLY 110 12.589 -12.822 -4.637 684 1HA GLY 110 2HA GLY 110 14.375 -14.083 -3.771 685 2HA GLY 110 1HA GLY 110 15.323 -12.622 -4.052 686 2H2' ROM 111 2H2' ROM 111 -9.046 5.173 -5.528 687 2H3' ROM 111 2H3' ROM 111 -7.710 6.349 -8.720 688 H'1 ROM 111 H'1 ROM 111 -4.054 4.580 -9.711 689 3H18 ROM 111 3H18 ROM 111 -2.804 0.152 0.589 690 2H18 ROM 111 2H18 ROM 111 -4.169 0.840 1.330 691 2H23 ROM 111 2H23 ROM 111 -6.561 6.539 -0.508 692 H1' ROM 111 H1' ROM 111 -7.779 7.374 -5.495 693 H2' ROM 111 H2' ROM 111 -10.621 6.922 -6.375 694 H3' ROM 111 H3' ROM 111 -9.705 6.938 -8.619 695 H4' ROM 111 H4' ROM 111 -10.361 9.078 -7.718 696 1H6B ROM 111 1H6B ROM 111 -10.000 11.154 -6.658 697 3H6B ROM 111 3H6B ROM 111 -8.673 11.406 -5.523 698 2H6B ROM 111 2H6B ROM 111 -8.385 11.525 -7.259 699 1H6A ROM 111 1H6A ROM 111 -6.634 10.299 -6.832 700 3H6A ROM 111 3H6A ROM 111 -6.738 9.046 -5.600 701 2H6A ROM 111 2H6A ROM 111 -6.812 8.622 -7.296 702 1H4B ROM 111 1H4B ROM 111 -7.279 9.898 -10.330 703 3H4B ROM 111 3H4B ROM 111 -7.059 10.373 -8.641 704 2H4B ROM 111 2H4B ROM 111 -7.028 8.663 -9.096 705 1H4A ROM 111 1H4A ROM 111 -9.946 10.942 -10.222 706 3H4A ROM 111 3H4A ROM 111 -10.303 10.951 -8.486 707 2H4A ROM 111 2H4A ROM 111 -8.768 11.612 -9.081 708 H'8 ROM 111 H'8 ROM 111 -0.590 5.935 -6.911 709 H'6 ROM 111 H'6 ROM 111 -0.589 8.675 -10.189 710 1H3A ROM 111 1H3A ROM 111 -3.764 6.511 -14.194 711 2H3A ROM 111 2H3A ROM 111 -4.513 8.032 -13.448 712 1H7A ROM 111 1H7A ROM 111 1.529 6.280 -8.055 713 3H7A ROM 111 3H7A ROM 111 2.206 7.596 -9.013 714 2H7A ROM 111 2H7A ROM 111 2.437 7.572 -7.273 715 H3 ROM 111 H3 ROM 111 -4.476 6.081 -5.184 716 H6 ROM 111 H6 ROM 111 -7.323 2.421 -3.491 717 H5 ROM 111 H5 ROM 111 -5.243 1.869 -4.732 718 H12 ROM 111 H12 ROM 111 -5.193 8.157 -3.561 719 H8 ROM 111 H8 ROM 111 -9.137 4.658 -3.314 720 H13 ROM 111 H13 ROM 111 -3.557 2.745 -6.384 721 H10 ROM 111 H10 ROM 111 -8.729 7.633 -1.288 722 H11 ROM 111 H11 ROM 111 -6.528 9.031 -1.538 723 2H14 ROM 111 2H14 ROM 111 -1.425 2.922 -5.270 724 1H14 ROM 111 1H14 ROM 111 -2.017 4.225 -4.231 725 2H17 ROM 111 2H17 ROM 111 -3.202 0.706 -2.008 726 1H17 ROM 111 1H17 ROM 111 -1.676 1.253 -1.316 727 H18 ROM 111 H18 ROM 111 -2.771 2.545 0.345 728 H20 ROM 111 H20 ROM 111 -5.897 0.962 -0.684 729 H24 ROM 111 H24 ROM 111 -3.748 4.640 -0.485 730 4H18 ROM 111 4H18 ROM 111 -4.317 0.071 -0.176 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -18.644 -8.686 4.040 2 2H ALA 1 2H ALA 1 -17.784 -10.049 3.505 3 3H ALA 1 3H ALA 1 -19.058 -9.427 2.569 4 HA ALA 1 HA ALA 1 -17.791 -7.375 2.195 5 1HB ALA 1 1HB ALA 1 -16.272 -6.978 3.824 6 2HB ALA 1 2HB ALA 1 -15.242 -8.177 3.042 7 3HB ALA 1 3HB ALA 1 -16.320 -8.660 4.352 8 HA PRO 2 HA PRO 2 -16.308 -9.492 -1.342 9 1HB PRO 2 2HB PRO 2 -14.532 -7.681 -2.363 10 2HB PRO 2 1HB PRO 2 -16.291 -7.453 -2.431 11 1HG PRO 2 2HG PRO 2 -14.300 -6.249 -0.576 12 2HG PRO 2 1HG PRO 2 -15.747 -5.532 -1.302 13 1HD PRO 2 2HD PRO 2 -15.625 -6.438 1.284 14 2HD PRO 2 1HD PRO 2 -17.126 -6.342 0.335 15 H ALA 3 H ALA 3 -13.692 -9.353 -2.469 16 HA ALA 3 HA ALA 3 -11.731 -9.965 -0.365 17 1HB ALA 3 1HB ALA 3 -11.521 -12.343 -1.418 18 2HB ALA 3 2HB ALA 3 -13.148 -12.038 -2.028 19 3HB ALA 3 3HB ALA 3 -12.843 -12.039 -0.291 20 H PHE 4 H PHE 4 -9.595 -10.389 -1.283 21 HA PHE 4 HA PHE 4 -9.246 -10.031 -4.206 22 1HB PHE 4 2HB PHE 4 -9.392 -7.753 -3.331 23 2HB PHE 4 1HB PHE 4 -8.229 -8.134 -2.061 24 HD1 PHE 4 HD1 PHE 4 -5.904 -9.111 -2.919 25 HD2 PHE 4 HD2 PHE 4 -8.608 -6.770 -5.301 26 HE1 PHE 4 HE1 PHE 4 -4.048 -8.524 -4.452 27 HE2 PHE 4 HE2 PHE 4 -6.749 -6.182 -6.835 28 HZ PHE 4 HZ PHE 4 -4.469 -7.059 -6.409 29 H SER 5 H SER 5 -7.632 -11.472 -4.783 30 HA SER 5 HA SER 5 -5.346 -11.849 -2.919 31 1HB SER 5 2HB SER 5 -6.398 -13.679 -2.088 32 2HB SER 5 1HB SER 5 -7.577 -13.698 -3.395 33 HG SER 5 HG SER 5 -6.454 -15.318 -4.119 34 H VAL 6 H VAL 6 -3.635 -13.184 -3.918 35 HA VAL 6 HA VAL 6 -3.635 -13.086 -6.920 36 HB VAL 6 HB VAL 6 -2.362 -11.259 -5.731 37 1HG1 VAL 6 1HG1 VAL 6 -0.372 -11.889 -4.446 38 2HG1 VAL 6 2HG1 VAL 6 -0.709 -13.596 -4.731 39 3HG1 VAL 6 3HG1 VAL 6 -1.804 -12.637 -3.737 40 1HG2 VAL 6 1HG2 VAL 6 -0.911 -11.322 -7.464 41 2HG2 VAL 6 2HG2 VAL 6 -1.509 -12.941 -7.824 42 3HG2 VAL 6 3HG2 VAL 6 -0.095 -12.734 -6.791 43 H SER 7 H SER 7 -2.044 -14.746 -7.827 44 HA SER 7 HA SER 7 -2.233 -17.252 -6.354 45 1HB SER 7 2HB SER 7 -1.212 -16.281 -8.975 46 2HB SER 7 1HB SER 7 -0.540 -17.798 -8.383 47 HG SER 7 HG SER 7 -2.842 -18.366 -8.000 48 HA PRO 8 HA PRO 8 2.415 -16.956 -5.658 49 1HB PRO 8 2HB PRO 8 3.935 -15.093 -6.942 50 2HB PRO 8 1HB PRO 8 3.537 -16.664 -7.664 51 1HG PRO 8 2HG PRO 8 2.346 -13.997 -8.175 52 2HG PRO 8 1HG PRO 8 2.675 -15.316 -9.306 53 1HD PRO 8 2HD PRO 8 0.188 -14.749 -8.289 54 2HD PRO 8 1HD PRO 8 0.696 -16.351 -8.869 55 H ALA 9 H ALA 9 3.897 -15.476 -4.351 56 HA ALA 9 HA ALA 9 3.236 -12.728 -3.800 57 1HB ALA 9 1HB ALA 9 2.352 -14.191 -1.443 58 2HB ALA 9 2HB ALA 9 1.389 -14.605 -2.860 59 3HB ALA 9 3HB ALA 9 1.521 -12.924 -2.343 60 H SER 10 H SER 10 5.510 -14.628 -4.033 61 HA SER 10 HA SER 10 7.227 -13.596 -1.996 62 1HB SER 10 2HB SER 10 7.456 -15.696 -0.702 63 2HB SER 10 1HB SER 10 5.814 -15.070 -0.621 64 HG SER 10 HG SER 10 6.156 -17.403 -1.146 65 H GLY 11 H GLY 11 9.410 -14.125 -2.525 66 1HA GLY 11 2HA GLY 11 11.165 -14.935 -3.864 67 2HA GLY 11 1HA GLY 11 10.201 -16.399 -4.061 68 H LEU 12 H LEU 12 9.368 -13.094 -5.020 69 HA LEU 12 HA LEU 12 8.571 -13.988 -7.685 70 1HB LEU 12 2HB LEU 12 8.780 -11.238 -6.426 71 2HB LEU 12 1HB LEU 12 7.870 -11.645 -7.882 72 HG LEU 12 HG LEU 12 7.368 -12.701 -5.091 73 1HD1 LEU 12 1HD1 LEU 12 5.358 -11.422 -5.160 74 2HD1 LEU 12 2HD1 LEU 12 5.534 -11.102 -6.886 75 3HD1 LEU 12 3HD1 LEU 12 6.624 -10.335 -5.731 76 1HD2 LEU 12 1HD2 LEU 12 6.979 -14.437 -6.773 77 2HD2 LEU 12 2HD2 LEU 12 6.017 -13.315 -7.737 78 3HD2 LEU 12 3HD2 LEU 12 5.436 -13.846 -6.160 79 H SER 13 H SER 13 9.342 -11.576 -9.060 80 HA SER 13 HA SER 13 12.246 -11.280 -8.995 81 1HB SER 13 2HB SER 13 12.391 -13.358 -10.032 82 2HB SER 13 1HB SER 13 10.843 -13.171 -10.853 83 HG SER 13 HG SER 13 11.854 -12.278 -12.467 84 H ASP 14 H ASP 14 12.968 -9.712 -10.612 85 HA ASP 14 HA ASP 14 11.147 -7.583 -11.127 86 1HB ASP 14 2HB ASP 14 13.729 -7.689 -10.982 87 2HB ASP 14 1HB ASP 14 13.668 -8.153 -12.684 88 H GLY 15 H GLY 15 9.583 -7.419 -12.666 89 1HA GLY 15 2HA GLY 15 8.698 -7.507 -14.886 90 2HA GLY 15 1HA GLY 15 10.004 -8.598 -15.332 91 H GLN 16 H GLN 16 9.463 -10.225 -12.870 92 HA GLN 16 HA GLN 16 8.049 -12.376 -13.852 93 1HB GLN 16 2HB GLN 16 9.257 -12.007 -11.624 94 2HB GLN 16 1HB GLN 16 7.742 -11.329 -11.031 95 1HG GLN 16 2HG GLN 16 7.176 -13.806 -12.362 96 2HG GLN 16 1HG GLN 16 8.470 -14.072 -11.192 97 1HE2 GLN 16 1HE2 GLN 16 5.803 -15.110 -10.818 98 2HE2 GLN 16 2HE2 GLN 16 5.135 -14.334 -9.470 99 H SER 17 H SER 17 5.810 -13.040 -13.786 100 HA SER 17 HA SER 17 3.863 -10.779 -13.436 101 1HB SER 17 2HB SER 17 4.553 -11.913 -15.767 102 2HB SER 17 1HB SER 17 3.325 -13.074 -15.273 103 HG SER 17 HG SER 17 2.738 -11.020 -16.504 104 H VAL 18 H VAL 18 2.160 -11.215 -12.083 105 HA VAL 18 HA VAL 18 1.840 -14.014 -11.076 106 HB VAL 18 HB VAL 18 1.098 -12.922 -9.018 107 1HG1 VAL 18 1HG1 VAL 18 3.470 -11.287 -9.875 108 2HG1 VAL 18 2HG1 VAL 18 3.620 -13.041 -9.774 109 3HG1 VAL 18 3HG1 VAL 18 3.183 -12.110 -8.342 110 1HG2 VAL 18 1HG2 VAL 18 1.603 -10.218 -9.361 111 2HG2 VAL 18 2HG2 VAL 18 0.003 -10.958 -9.317 112 3HG2 VAL 18 3HG2 VAL 18 0.795 -10.660 -10.864 113 H SER 19 H SER 19 -0.417 -14.644 -10.569 114 HA SER 19 HA SER 19 -2.359 -13.442 -12.490 115 1HB SER 19 2HB SER 19 -2.718 -15.950 -10.863 116 2HB SER 19 1HB SER 19 -3.379 -15.570 -12.450 117 HG SER 19 HG SER 19 -1.254 -15.699 -13.272 118 H VAL 20 H VAL 20 -3.572 -11.828 -11.519 119 HA VAL 20 HA VAL 20 -4.290 -12.114 -8.637 120 HB VAL 20 HB VAL 20 -4.387 -9.846 -10.643 121 1HG1 VAL 20 1HG1 VAL 20 -4.907 -8.485 -8.539 122 2HG1 VAL 20 2HG1 VAL 20 -5.290 -10.019 -7.761 123 3HG1 VAL 20 3HG1 VAL 20 -6.223 -9.483 -9.159 124 1HG2 VAL 20 1HG2 VAL 20 -2.637 -8.893 -9.175 125 2HG2 VAL 20 2HG2 VAL 20 -2.141 -10.459 -9.816 126 3HG2 VAL 20 3HG2 VAL 20 -2.714 -10.329 -8.154 127 H SER 21 H SER 21 -6.542 -11.384 -8.062 128 HA SER 21 HA SER 21 -8.662 -11.477 -10.065 129 1HB SER 21 2HB SER 21 -9.336 -13.668 -9.833 130 2HB SER 21 1HB SER 21 -7.624 -13.894 -9.490 131 HG SER 21 HG SER 21 -8.713 -14.818 -7.812 132 H VAL 22 H VAL 22 -10.388 -10.354 -9.187 133 HA VAL 22 HA VAL 22 -10.510 -10.099 -6.214 134 HB VAL 22 HB VAL 22 -11.377 -8.152 -8.363 135 1HG1 VAL 22 1HG1 VAL 22 -11.247 -8.121 -5.367 136 2HG1 VAL 22 2HG1 VAL 22 -12.481 -7.461 -6.441 137 3HG1 VAL 22 3HG1 VAL 22 -10.946 -6.617 -6.238 138 1HG2 VAL 22 1HG2 VAL 22 -8.805 -8.280 -6.760 139 2HG2 VAL 22 2HG2 VAL 22 -9.277 -6.937 -7.796 140 3HG2 VAL 22 3HG2 VAL 22 -8.956 -8.524 -8.498 141 H SER 23 H SER 23 -12.406 -10.920 -5.345 142 HA SER 23 HA SER 23 -14.831 -10.958 -7.108 143 1HB SER 23 2HB SER 23 -13.857 -13.161 -7.132 144 2HB SER 23 1HB SER 23 -13.643 -13.146 -5.384 145 HG SER 23 HG SER 23 -15.753 -13.935 -6.794 146 H GLY 24 H GLY 24 -16.810 -10.672 -5.986 147 1HA GLY 24 2HA GLY 24 -18.046 -10.690 -3.827 148 2HA GLY 24 1HA GLY 24 -16.575 -10.093 -3.066 149 H ALA 25 H ALA 25 -16.193 -8.294 -5.528 150 HA ALA 25 HA ALA 25 -17.360 -5.916 -4.422 151 1HB ALA 25 1HB ALA 25 -16.785 -5.453 -7.119 152 2HB ALA 25 2HB ALA 25 -15.708 -6.774 -6.669 153 3HB ALA 25 3HB ALA 25 -15.665 -5.256 -5.771 154 H ALA 26 H ALA 26 -18.444 -4.660 -6.781 155 HA ALA 26 HA ALA 26 -20.782 -6.313 -7.557 156 1HB ALA 26 1HB ALA 26 -20.779 -3.883 -5.788 157 2HB ALA 26 2HB ALA 26 -21.645 -5.405 -5.574 158 3HB ALA 26 3HB ALA 26 -22.189 -4.243 -6.784 159 H ALA 27 H ALA 27 -21.475 -5.809 -9.587 160 HA ALA 27 HA ALA 27 -20.047 -4.274 -11.419 161 1HB ALA 27 1HB ALA 27 -21.659 -5.117 -12.768 162 2HB ALA 27 2HB ALA 27 -22.923 -4.245 -11.902 163 3HB ALA 27 3HB ALA 27 -22.375 -5.813 -11.313 164 H GLY 28 H GLY 28 -19.944 -2.103 -11.896 165 1HA GLY 28 2HA GLY 28 -21.224 0.048 -12.102 166 2HA GLY 28 1HA GLY 28 -21.859 -0.301 -10.498 167 H GLU 29 H GLU 29 -18.621 -1.262 -10.688 168 HA GLU 29 HA GLU 29 -17.614 1.421 -9.855 169 1HB GLU 29 2HB GLU 29 -17.852 -1.084 -8.212 170 2HB GLU 29 1HB GLU 29 -16.568 0.074 -7.865 171 1HG GLU 29 2HG GLU 29 -18.070 1.259 -6.673 172 2HG GLU 29 1HG GLU 29 -18.877 1.635 -8.197 173 H THR 30 H THR 30 -15.378 1.662 -10.107 174 HA THR 30 HA THR 30 -13.947 -0.606 -11.449 175 HB THR 30 HB THR 30 -13.567 2.377 -11.842 176 HG1 THR 30 HG1 THR 30 -14.702 1.804 -13.879 177 1HG2 THR 30 1HG2 THR 30 -11.784 1.724 -13.045 178 2HG2 THR 30 2HG2 THR 30 -12.866 0.831 -14.115 179 3HG2 THR 30 3HG2 THR 30 -12.152 0.031 -12.715 180 H TYR 31 H TYR 31 -12.241 -1.308 -10.206 181 HA TYR 31 HA TYR 31 -11.160 0.533 -8.121 182 1HB TYR 31 2HB TYR 31 -10.910 -2.463 -8.518 183 2HB TYR 31 1HB TYR 31 -10.389 -1.560 -7.092 184 HD1 TYR 31 HD1 TYR 31 -13.265 -2.873 -8.958 185 HD2 TYR 31 HD2 TYR 31 -12.032 -0.530 -5.576 186 HE1 TYR 31 HE1 TYR 31 -15.557 -3.017 -8.023 187 HE2 TYR 31 HE2 TYR 31 -14.324 -0.674 -4.642 188 HH TYR 31 HH TYR 31 -16.292 -2.247 -4.841 189 H TYR 32 H TYR 32 -8.888 0.847 -7.936 190 HA TYR 32 HA TYR 32 -7.341 0.192 -10.419 191 1HB TYR 32 2HB TYR 32 -6.723 2.334 -8.374 192 2HB TYR 32 1HB TYR 32 -6.203 2.254 -10.055 193 HD1 TYR 32 HD1 TYR 32 -8.329 1.988 -11.758 194 HD2 TYR 32 HD2 TYR 32 -8.389 3.881 -7.904 195 HE1 TYR 32 HE1 TYR 32 -10.314 3.311 -12.437 196 HE2 TYR 32 HE2 TYR 32 -10.374 5.202 -8.582 197 HH TYR 32 HH TYR 32 -11.343 5.583 -11.711 198 H ILE 33 H ILE 33 -5.712 -1.286 -10.123 199 HA ILE 33 HA ILE 33 -4.708 -1.733 -7.337 200 HB ILE 33 HB ILE 33 -5.926 -3.585 -8.452 201 1HG1 ILE 33 2HG1 ILE 33 -3.968 -3.978 -6.870 202 2HG1 ILE 33 1HG1 ILE 33 -4.324 -5.311 -7.967 203 1HG2 ILE 33 1HG2 ILE 33 -3.834 -3.091 -10.561 204 2HG2 ILE 33 2HG2 ILE 33 -5.576 -3.284 -10.752 205 3HG2 ILE 33 3HG2 ILE 33 -4.568 -4.686 -10.386 206 1HD1 ILE 33 1HD1 ILE 33 -1.915 -3.688 -7.758 207 2HD1 ILE 33 2HD1 ILE 33 -2.538 -3.711 -9.400 208 3HD1 ILE 33 3HD1 ILE 33 -2.154 -5.223 -8.585 209 H ALA 34 H ALA 34 -2.469 -1.665 -6.991 210 HA ALA 34 HA ALA 34 -0.596 -1.523 -9.257 211 1HB ALA 34 1HB ALA 34 -1.324 0.837 -7.503 212 2HB ALA 34 2HB ALA 34 -1.403 0.740 -9.261 213 3HB ALA 34 3HB ALA 34 0.163 0.786 -8.450 214 H GLN 35 H GLN 35 1.671 -1.435 -8.470 215 HA GLN 35 HA GLN 35 1.986 -2.878 -5.919 216 1HB GLN 35 2HB GLN 35 3.146 -3.353 -8.155 217 2HB GLN 35 1HB GLN 35 4.101 -1.900 -7.854 218 1HG GLN 35 2HG GLN 35 4.951 -2.830 -5.770 219 2HG GLN 35 1HG GLN 35 3.911 -4.243 -5.941 220 1HE2 GLN 35 1HE2 GLN 35 5.818 -5.670 -6.011 221 2HE2 GLN 35 2HE2 GLN 35 6.790 -5.748 -7.400 222 H CYS 36 H CYS 36 3.327 -2.062 -4.172 223 HA CYS 36 HA CYS 36 4.057 0.823 -4.332 224 1HB CYS 36 2HB CYS 36 1.734 -0.128 -3.180 225 2HB CYS 36 1HB CYS 36 2.823 0.029 -1.804 226 H ALA 37 H ALA 37 5.173 1.421 -2.153 227 HA ALA 37 HA ALA 37 6.539 -0.644 -0.651 228 1HB ALA 37 1HB ALA 37 7.606 -0.856 -2.885 229 2HB ALA 37 2HB ALA 37 8.758 -0.284 -1.676 230 3HB ALA 37 3HB ALA 37 8.042 0.849 -2.820 231 HA PRO 38 HA PRO 38 6.710 3.123 1.693 232 1HB PRO 38 2HB PRO 38 8.034 2.120 3.866 233 2HB PRO 38 1HB PRO 38 6.305 1.861 3.568 234 1HG PRO 38 2HG PRO 38 8.604 0.033 3.066 235 2HG PRO 38 1HG PRO 38 6.978 -0.337 3.668 236 1HD PRO 38 2HD PRO 38 7.749 -0.780 1.090 237 2HD PRO 38 1HD PRO 38 6.071 -0.427 1.559 238 H VAL 39 H VAL 39 8.388 4.583 2.545 239 HA VAL 39 HA VAL 39 11.181 3.940 1.745 240 HB VAL 39 HB VAL 39 9.593 6.347 0.843 241 1HG1 VAL 39 1HG1 VAL 39 11.680 6.647 -0.621 242 2HG1 VAL 39 2HG1 VAL 39 12.469 5.507 0.470 243 3HG1 VAL 39 3HG1 VAL 39 11.854 7.040 1.089 244 1HG2 VAL 39 1HG2 VAL 39 9.959 5.326 -1.429 245 2HG2 VAL 39 2HG2 VAL 39 8.908 4.369 -0.385 246 3HG2 VAL 39 3HG2 VAL 39 10.588 3.888 -0.624 247 H GLY 40 H GLY 40 10.947 3.926 4.279 248 1HA GLY 40 2HA GLY 40 11.358 4.977 6.346 249 2HA GLY 40 1HA GLY 40 12.387 6.049 5.402 250 H GLY 41 H GLY 41 8.987 5.952 4.658 251 1HA GLY 41 2HA GLY 41 8.336 8.212 6.420 252 2HA GLY 41 1HA GLY 41 8.442 8.630 4.708 253 H GLN 42 H GLN 42 6.989 7.485 3.220 254 HA GLN 42 HA GLN 42 4.570 6.367 4.591 255 1HB GLN 42 2HB GLN 42 3.260 7.618 2.876 256 2HB GLN 42 1HB GLN 42 4.222 8.693 3.890 257 1HG GLN 42 2HG GLN 42 5.683 9.221 2.186 258 2HG GLN 42 1HG GLN 42 5.486 7.657 1.394 259 1HE2 GLN 42 1HE2 GLN 42 3.830 10.787 1.936 260 2HE2 GLN 42 2HE2 GLN 42 2.832 10.673 0.568 261 H ASP 43 H ASP 43 3.149 5.775 2.229 262 HA ASP 43 HA ASP 43 4.822 3.559 1.129 263 1HB ASP 43 2HB ASP 43 2.005 4.024 1.847 264 2HB ASP 43 1HB ASP 43 2.219 3.161 0.324 265 H ALA 44 H ALA 44 5.830 4.242 -0.749 266 HA ALA 44 HA ALA 44 4.444 6.100 -2.595 267 1HB ALA 44 1HB ALA 44 6.975 5.958 -1.800 268 2HB ALA 44 2HB ALA 44 6.584 6.450 -3.449 269 3HB ALA 44 3HB ALA 44 7.091 4.793 -3.119 270 H CYS 45 H CYS 45 3.293 5.340 -4.329 271 HA CYS 45 HA CYS 45 3.526 2.454 -5.042 272 1HB CYS 45 2HB CYS 45 1.474 4.608 -5.146 273 2HB CYS 45 1HB CYS 45 1.394 3.383 -6.411 274 H ASN 46 H ASN 46 3.217 2.050 -7.509 275 HA ASN 46 HA ASN 46 5.004 3.946 -8.974 276 1HB ASN 46 2HB ASN 46 5.834 1.660 -8.681 277 2HB ASN 46 1HB ASN 46 4.353 1.018 -9.394 278 1HD2 ASN 46 1HD2 ASN 46 6.903 0.474 -10.582 279 2HD2 ASN 46 2HD2 ASN 46 6.979 1.272 -12.078 280 HA PRO 47 HA PRO 47 1.387 4.801 -11.394 281 1HB PRO 47 2HB PRO 47 2.540 6.622 -13.062 282 2HB PRO 47 1HB PRO 47 2.077 7.001 -11.391 283 1HG PRO 47 2HG PRO 47 4.758 6.464 -12.533 284 2HG PRO 47 1HG PRO 47 4.291 7.508 -11.183 285 1HD PRO 47 2HD PRO 47 5.418 4.968 -10.954 286 2HD PRO 47 1HD PRO 47 4.567 5.844 -9.665 287 H ALA 48 H ALA 48 4.530 4.399 -13.034 288 HA ALA 48 HA ALA 48 3.843 3.801 -15.626 289 1HB ALA 48 1HB ALA 48 5.725 1.989 -15.330 290 2HB ALA 48 2HB ALA 48 5.821 2.637 -13.692 291 3HB ALA 48 3HB ALA 48 6.113 3.690 -15.076 292 H THR 49 H THR 49 4.009 1.279 -13.099 293 HA THR 49 HA THR 49 2.359 -0.509 -14.781 294 HB THR 49 HB THR 49 2.909 -2.085 -12.866 295 HG1 THR 49 HG1 THR 49 3.865 -1.299 -11.177 296 1HG2 THR 49 1HG2 THR 49 4.724 -2.622 -14.082 297 2HG2 THR 49 2HG2 THR 49 5.564 -1.159 -13.569 298 3HG2 THR 49 3HG2 THR 49 4.492 -1.115 -14.968 299 H ALA 50 H ALA 50 0.180 -0.224 -14.625 300 HA ALA 50 HA ALA 50 -1.146 -0.365 -12.021 301 1HB ALA 50 1HB ALA 50 -0.312 2.054 -12.463 302 2HB ALA 50 2HB ALA 50 -1.996 1.846 -11.984 303 3HB ALA 50 3HB ALA 50 -1.589 2.119 -13.677 304 H THR 51 H THR 51 -3.275 -1.115 -12.313 305 HA THR 51 HA THR 51 -4.363 -1.062 -15.097 306 HB THR 51 HB THR 51 -4.943 -3.471 -14.768 307 HG1 THR 51 HG1 THR 51 -4.518 -4.416 -12.929 308 1HG2 THR 51 1HG2 THR 51 -2.998 -3.897 -15.805 309 2HG2 THR 51 2HG2 THR 51 -2.120 -3.731 -14.285 310 3HG2 THR 51 3HG2 THR 51 -2.415 -2.313 -15.292 311 H SER 52 H SER 52 -6.439 -0.343 -15.076 312 HA SER 52 HA SER 52 -7.936 -0.326 -12.494 313 1HB SER 52 2HB SER 52 -9.368 1.286 -13.911 314 2HB SER 52 1HB SER 52 -7.737 1.824 -13.513 315 HG SER 52 HG SER 52 -8.415 0.431 -15.893 316 H PHE 53 H PHE 53 -9.461 -1.946 -12.259 317 HA PHE 53 HA PHE 53 -10.721 -3.022 -14.763 318 1HB PHE 53 2HB PHE 53 -10.660 -5.211 -13.675 319 2HB PHE 53 1HB PHE 53 -9.042 -4.512 -13.695 320 HD1 PHE 53 HD1 PHE 53 -11.926 -5.411 -11.592 321 HD2 PHE 53 HD2 PHE 53 -8.013 -3.637 -11.642 322 HE1 PHE 53 HE1 PHE 53 -11.822 -5.571 -9.118 323 HE2 PHE 53 HE2 PHE 53 -7.912 -3.796 -9.171 324 HZ PHE 53 HZ PHE 53 -9.816 -4.763 -7.908 325 H THR 54 H THR 54 -12.935 -3.129 -14.749 326 HA THR 54 HA THR 54 -14.342 -2.263 -12.263 327 HB THR 54 HB THR 54 -15.245 -2.411 -15.158 328 HG1 THR 54 HG1 THR 54 -13.960 -0.754 -15.278 329 1HG2 THR 54 1HG2 THR 54 -17.196 -1.321 -14.505 330 2HG2 THR 54 2HG2 THR 54 -16.470 -0.694 -13.025 331 3HG2 THR 54 3HG2 THR 54 -16.921 -2.396 -13.135 332 H THR 55 H THR 55 -16.301 -3.467 -11.660 333 HA THR 55 HA THR 55 -16.057 -6.360 -12.310 334 HB THR 55 HB THR 55 -17.903 -6.317 -10.420 335 HG1 THR 55 HG1 THR 55 -18.359 -4.209 -10.253 336 1HG2 THR 55 1HG2 THR 55 -14.979 -5.618 -10.044 337 2HG2 THR 55 2HG2 THR 55 -15.712 -7.223 -10.008 338 3HG2 THR 55 3HG2 THR 55 -16.042 -6.072 -8.712 339 H ASP 56 H ASP 56 -18.054 -7.580 -12.796 340 HA ASP 56 HA ASP 56 -19.942 -5.975 -14.472 341 1HB ASP 56 2HB ASP 56 -18.361 -8.005 -15.200 342 2HB ASP 56 1HB ASP 56 -19.711 -8.956 -14.578 343 H ALA 57 H ALA 57 -21.949 -8.024 -14.578 344 HA ALA 57 HA ALA 57 -23.433 -7.444 -12.189 345 1HB ALA 57 1HB ALA 57 -23.951 -9.786 -14.003 346 2HB ALA 57 2HB ALA 57 -24.132 -8.140 -14.613 347 3HB ALA 57 3HB ALA 57 -25.116 -8.691 -13.257 348 H SER 58 H SER 58 -21.147 -9.909 -13.001 349 HA SER 58 HA SER 58 -21.994 -11.721 -10.833 350 1HB SER 58 2HB SER 58 -20.609 -13.207 -11.918 351 2HB SER 58 1HB SER 58 -20.821 -12.070 -13.247 352 HG SER 58 HG SER 58 -18.690 -12.092 -13.088 353 H GLY 59 H GLY 59 -20.278 -8.862 -11.023 354 1HA GLY 59 2HA GLY 59 -18.693 -7.807 -9.654 355 2HA GLY 59 1HA GLY 59 -19.437 -8.745 -8.365 356 H ALA 60 H ALA 60 -17.353 -9.519 -11.165 357 HA ALA 60 HA ALA 60 -15.286 -10.573 -9.322 358 1HB ALA 60 1HB ALA 60 -15.416 -12.804 -10.512 359 2HB ALA 60 2HB ALA 60 -16.912 -12.241 -11.258 360 3HB ALA 60 3HB ALA 60 -16.817 -12.430 -9.507 361 H ALA 61 H ALA 61 -13.260 -10.482 -10.265 362 HA ALA 61 HA ALA 61 -13.040 -10.131 -13.208 363 1HB ALA 61 1HB ALA 61 -11.756 -8.300 -11.161 364 2HB ALA 61 2HB ALA 61 -13.256 -7.915 -12.002 365 3HB ALA 61 3HB ALA 61 -11.759 -8.098 -12.914 366 H SER 62 H SER 62 -10.750 -10.335 -13.903 367 HA SER 62 HA SER 62 -8.781 -11.410 -12.019 368 1HB SER 62 2HB SER 62 -10.408 -13.277 -12.482 369 2HB SER 62 1HB SER 62 -9.967 -13.175 -14.183 370 HG SER 62 HG SER 62 -8.256 -13.740 -11.982 371 H PHE 63 H PHE 63 -6.712 -11.245 -12.947 372 HA PHE 63 HA PHE 63 -6.329 -11.105 -15.820 373 1HB PHE 63 2HB PHE 63 -5.741 -8.663 -15.814 374 2HB PHE 63 1HB PHE 63 -7.444 -8.972 -15.475 375 HD1 PHE 63 HD1 PHE 63 -8.410 -8.493 -13.293 376 HD2 PHE 63 HD2 PHE 63 -4.190 -8.070 -13.981 377 HE1 PHE 63 HE1 PHE 63 -8.164 -7.295 -11.129 378 HE2 PHE 63 HE2 PHE 63 -3.945 -6.877 -11.823 379 HZ PHE 63 HZ PHE 63 -5.936 -6.491 -10.396 380 H SER 64 H SER 64 -4.083 -10.934 -16.381 381 HA SER 64 HA SER 64 -2.262 -11.765 -14.231 382 1HB SER 64 2HB SER 64 -1.449 -11.146 -17.048 383 2HB SER 64 1HB SER 64 -0.918 -12.460 -16.006 384 HG SER 64 HG SER 64 -2.639 -12.702 -17.850 385 H PHE 65 H PHE 65 -1.119 -10.300 -13.070 386 HA PHE 65 HA PHE 65 -0.694 -7.567 -14.180 387 1HB PHE 65 2HB PHE 65 -1.997 -7.681 -12.146 388 2HB PHE 65 1HB PHE 65 -0.811 -8.746 -11.394 389 HD1 PHE 65 HD1 PHE 65 0.794 -7.818 -9.997 390 HD2 PHE 65 HD2 PHE 65 -1.034 -5.373 -13.015 391 HE1 PHE 65 HE1 PHE 65 2.015 -5.846 -9.138 392 HE2 PHE 65 HE2 PHE 65 0.188 -3.397 -12.157 393 HZ PHE 65 HZ PHE 65 1.719 -3.634 -10.214 394 H VAL 66 H VAL 66 1.453 -6.601 -13.822 395 HA VAL 66 HA VAL 66 3.607 -8.680 -13.655 396 HB VAL 66 HB VAL 66 3.675 -5.873 -14.793 397 1HG1 VAL 66 1HG1 VAL 66 5.589 -8.167 -14.631 398 2HG1 VAL 66 2HG1 VAL 66 5.905 -6.435 -14.526 399 3HG1 VAL 66 3HG1 VAL 66 5.603 -7.183 -16.095 400 1HG2 VAL 66 1HG2 VAL 66 3.688 -7.302 -16.991 401 2HG2 VAL 66 2HG2 VAL 66 2.149 -6.966 -16.198 402 3HG2 VAL 66 3HG2 VAL 66 2.928 -8.534 -15.983 403 H VAL 67 H VAL 67 5.671 -7.848 -12.641 404 HA VAL 67 HA VAL 67 5.165 -5.796 -10.530 405 HB VAL 67 HB VAL 67 6.395 -7.429 -8.994 406 1HG1 VAL 67 1HG1 VAL 67 4.263 -8.967 -8.943 407 2HG1 VAL 67 2HG1 VAL 67 3.657 -7.838 -10.154 408 3HG1 VAL 67 3HG1 VAL 67 4.113 -7.254 -8.552 409 1HG2 VAL 67 1HG2 VAL 67 5.544 -9.495 -11.021 410 2HG2 VAL 67 2HG2 VAL 67 6.645 -9.681 -9.656 411 3HG2 VAL 67 3HG2 VAL 67 7.156 -8.782 -11.086 412 H ARG 68 H ARG 68 7.314 -5.143 -9.489 413 HA ARG 68 HA ARG 68 9.673 -5.593 -11.240 414 1HB ARG 68 2HB ARG 68 8.238 -2.988 -10.710 415 2HB ARG 68 1HB ARG 68 9.932 -3.021 -11.209 416 1HG ARG 68 2HG ARG 68 9.234 -4.467 -13.164 417 2HG ARG 68 1HG ARG 68 7.558 -4.144 -12.718 418 1HD ARG 68 2HD ARG 68 7.867 -2.402 -14.215 419 2HD ARG 68 1HD ARG 68 8.492 -1.606 -12.755 420 HE ARG 68 HE ARG 68 10.576 -3.161 -13.978 421 1HH1 ARG 68 1HH2 ARG 68 9.112 -1.487 -16.173 422 2HH1 ARG 68 2HH2 ARG 68 10.159 -0.109 -16.240 423 1HH2 ARG 68 1HH1 ARG 68 11.779 -0.859 -13.268 424 2HH2 ARG 68 2HH1 ARG 68 11.667 0.247 -14.595 425 H LYS 69 H LYS 69 11.053 -6.367 -9.711 426 HA LYS 69 HA LYS 69 11.089 -6.014 -6.958 427 1HB LYS 69 2HB LYS 69 12.481 -7.501 -8.490 428 2HB LYS 69 1HB LYS 69 13.541 -6.112 -8.725 429 1HG LYS 69 2HG LYS 69 12.891 -6.693 -5.909 430 2HG LYS 69 1HG LYS 69 13.838 -7.942 -6.721 431 1HD LYS 69 2HD LYS 69 14.571 -5.015 -6.878 432 2HD LYS 69 1HD LYS 69 15.173 -6.069 -5.596 433 1HE LYS 69 2HE LYS 69 16.292 -7.502 -7.174 434 2HE LYS 69 1HE LYS 69 15.490 -6.710 -8.545 435 1HZ LYS 69 1HZ LYS 69 16.596 -4.690 -8.091 436 2HZ LYS 69 2HZ LYS 69 17.797 -5.891 -8.039 437 3HZ LYS 69 3HZ LYS 69 17.172 -5.241 -6.597 438 H SER 70 H SER 70 11.944 -3.629 -9.367 439 HA SER 70 HA SER 70 12.550 -1.696 -7.180 440 1HB SER 70 2HB SER 70 14.542 -1.011 -8.741 441 2HB SER 70 1HB SER 70 14.731 -2.398 -7.671 442 HG SER 70 HG SER 70 15.288 -3.216 -9.585 443 H TYR 71 H TYR 71 11.946 0.432 -7.729 444 HA TYR 71 HA TYR 71 11.527 1.361 -10.429 445 1HB TYR 71 2HB TYR 71 9.107 1.231 -10.531 446 2HB TYR 71 1HB TYR 71 9.706 -0.378 -10.135 447 HD1 TYR 71 HD1 TYR 71 8.487 2.776 -8.493 448 HD2 TYR 71 HD2 TYR 71 8.874 -1.498 -8.254 449 HE1 TYR 71 HE1 TYR 71 7.125 2.764 -6.416 450 HE2 TYR 71 HE2 TYR 71 7.516 -1.509 -6.180 451 HH TYR 71 HH TYR 71 5.807 1.299 -5.073 452 H THR 72 H THR 72 10.548 3.558 -10.417 453 HA THR 72 HA THR 72 11.332 5.060 -8.045 454 HB THR 72 HB THR 72 9.712 6.328 -10.168 455 HG1 THR 72 HG1 THR 72 10.831 5.603 -11.779 456 1HG2 THR 72 1HG2 THR 72 12.522 6.833 -9.179 457 2HG2 THR 72 2HG2 THR 72 11.078 7.535 -8.455 458 3HG2 THR 72 3HG2 THR 72 11.518 7.941 -10.115 459 H GLY 73 H GLY 73 9.999 5.575 -6.344 460 1HA GLY 73 2HA GLY 73 7.108 4.943 -6.608 461 2HA GLY 73 1HA GLY 73 7.968 5.176 -5.089 462 H SER 74 H SER 74 5.509 6.484 -5.980 463 HA SER 74 HA SER 74 6.127 9.211 -5.215 464 1HB SER 74 2HB SER 74 5.732 8.474 -8.108 465 2HB SER 74 1HB SER 74 5.305 10.080 -7.531 466 HG SER 74 HG SER 74 7.347 10.522 -7.615 467 H THR 75 H THR 75 4.302 9.696 -4.072 468 HA THR 75 HA THR 75 1.913 8.356 -3.869 469 HB THR 75 HB THR 75 1.011 10.485 -3.070 470 HG1 THR 75 HG1 THR 75 2.253 12.384 -3.501 471 1HG2 THR 75 1HG2 THR 75 3.917 10.780 -2.459 472 2HG2 THR 75 2HG2 THR 75 3.137 9.258 -2.028 473 3HG2 THR 75 3HG2 THR 75 2.535 10.776 -1.363 474 HA PRO 76 HA PRO 76 -0.407 8.753 -7.568 475 1HB PRO 76 2HB PRO 76 -2.936 9.257 -6.640 476 2HB PRO 76 1HB PRO 76 -2.158 7.665 -6.524 477 1HG PRO 76 2HG PRO 76 -2.428 9.792 -4.447 478 2HG PRO 76 1HG PRO 76 -2.616 8.037 -4.293 479 1HD PRO 76 2HD PRO 76 -0.369 9.320 -3.512 480 2HD PRO 76 1HD PRO 76 -0.341 7.667 -4.165 481 H GLU 77 H GLU 77 -0.615 11.358 -5.207 482 HA GLU 77 HA GLU 77 -0.330 13.425 -7.188 483 1HB GLU 77 2HB GLU 77 -2.580 14.241 -7.303 484 2HB GLU 77 1HB GLU 77 -2.697 12.497 -7.540 485 1HG GLU 77 2HG GLU 77 -3.110 12.287 -5.046 486 2HG GLU 77 1HG GLU 77 -3.247 14.045 -4.996 487 H GLY 78 H GLY 78 0.747 14.952 -5.998 488 1HA GLY 78 2HA GLY 78 0.016 16.595 -4.038 489 2HA GLY 78 1HA GLY 78 0.227 15.126 -3.084 490 H THR 79 H THR 79 2.371 14.188 -2.967 491 HA THR 79 HA THR 79 4.576 16.013 -3.846 492 HB THR 79 HB THR 79 5.436 15.075 -1.438 493 HG1 THR 79 HG1 THR 79 3.758 14.214 -0.521 494 1HG2 THR 79 1HG2 THR 79 3.590 17.446 -1.518 495 2HG2 THR 79 2HG2 THR 79 5.112 17.473 -2.409 496 3HG2 THR 79 3HG2 THR 79 5.119 17.263 -0.658 497 HA PRO 80 HA PRO 80 6.277 12.180 -5.251 498 1HB PRO 80 2HB PRO 80 8.848 13.032 -5.657 499 2HB PRO 80 1HB PRO 80 7.508 13.450 -6.747 500 1HG PRO 80 2HG PRO 80 8.798 15.087 -4.621 501 2HG PRO 80 1HG PRO 80 8.183 15.577 -6.207 502 1HD PRO 80 2HD PRO 80 6.834 15.994 -3.858 503 2HD PRO 80 1HD PRO 80 6.041 15.838 -5.441 504 H VAL 81 H VAL 81 7.114 10.458 -4.111 505 HA VAL 81 HA VAL 81 8.233 10.943 -1.429 506 HB VAL 81 HB VAL 81 7.667 8.385 -2.923 507 1HG1 VAL 81 1HG1 VAL 81 7.312 7.584 -0.522 508 2HG1 VAL 81 2HG1 VAL 81 8.083 9.088 -0.016 509 3HG1 VAL 81 3HG1 VAL 81 8.979 7.921 -0.988 510 1HG2 VAL 81 1HG2 VAL 81 5.862 9.966 -1.070 511 2HG2 VAL 81 2HG2 VAL 81 5.465 8.437 -1.856 512 3HG2 VAL 81 3HG2 VAL 81 5.687 9.894 -2.823 513 H GLY 82 H GLY 82 9.269 9.649 -4.553 514 1HA GLY 82 2HA GLY 82 11.741 10.170 -4.994 515 2HA GLY 82 1HA GLY 82 12.032 9.381 -3.443 516 H SER 83 H SER 83 13.386 7.845 -4.660 517 HA SER 83 HA SER 83 12.094 6.071 -6.614 518 1HB SER 83 2HB SER 83 14.718 5.530 -5.281 519 2HB SER 83 1HB SER 83 14.271 5.332 -6.973 520 HG SER 83 HG SER 83 14.697 7.386 -7.326 521 H VAL 84 H VAL 84 12.345 3.613 -6.195 522 HA VAL 84 HA VAL 84 11.931 2.927 -3.318 523 HB VAL 84 HB VAL 84 10.099 2.548 -5.679 524 1HG1 VAL 84 1HG1 VAL 84 9.960 0.928 -3.120 525 2HG1 VAL 84 2HG1 VAL 84 10.557 0.292 -4.654 526 3HG1 VAL 84 3HG1 VAL 84 8.879 0.814 -4.508 527 1HG2 VAL 84 1HG2 VAL 84 9.674 3.329 -2.777 528 2HG2 VAL 84 2HG2 VAL 84 8.415 3.268 -4.010 529 3HG2 VAL 84 3HG2 VAL 84 9.725 4.440 -4.146 530 H ASP 85 H ASP 85 12.443 0.716 -2.840 531 HA ASP 85 HA ASP 85 13.533 -0.953 -5.044 532 1HB ASP 85 2HB ASP 85 15.609 -1.261 -3.592 533 2HB ASP 85 1HB ASP 85 15.436 0.325 -4.343 534 H CYS 86 H CYS 86 12.103 -2.637 -4.682 535 HA CYS 86 HA CYS 86 11.223 -3.522 -2.085 536 1HB CYS 86 2HB CYS 86 11.270 -4.825 -4.825 537 2HB CYS 86 1HB CYS 86 10.327 -5.408 -3.460 538 H ALA 87 H ALA 87 14.251 -3.793 -3.503 539 HA ALA 87 HA ALA 87 14.992 -6.509 -2.980 540 1HB ALA 87 1HB ALA 87 16.117 -4.160 -3.991 541 2HB ALA 87 2HB ALA 87 16.934 -5.717 -3.845 542 3HB ALA 87 3HB ALA 87 17.086 -4.519 -2.561 543 H THR 88 H THR 88 15.623 -3.576 -1.056 544 HA THR 88 HA THR 88 15.966 -5.303 1.362 545 HB THR 88 HB THR 88 17.866 -3.894 0.620 546 HG1 THR 88 HG1 THR 88 18.282 -3.440 2.625 547 1HG2 THR 88 1HG2 THR 88 16.679 -2.131 -0.524 548 2HG2 THR 88 2HG2 THR 88 17.579 -1.399 0.804 549 3HG2 THR 88 3HG2 THR 88 15.844 -1.669 0.958 550 H ALA 89 H ALA 89 13.831 -3.139 -0.153 551 HA ALA 89 HA ALA 89 12.684 -2.038 2.333 552 1HB ALA 89 1HB ALA 89 11.581 -0.582 0.871 553 2HB ALA 89 2HB ALA 89 11.534 -1.775 -0.428 554 3HB ALA 89 3HB ALA 89 13.046 -0.953 -0.039 555 H ALA 90 H ALA 90 10.114 -2.101 2.234 556 HA ALA 90 HA ALA 90 9.361 -4.981 2.114 557 1HB ALA 90 1HB ALA 90 9.076 -3.113 4.042 558 2HB ALA 90 2HB ALA 90 7.946 -4.454 3.855 559 3HB ALA 90 3HB ALA 90 7.553 -2.871 3.186 560 H CYS 91 H CYS 91 8.805 -5.330 -0.066 561 HA CYS 91 HA CYS 91 7.136 -3.416 -1.549 562 1HB CYS 91 2HB CYS 91 9.036 -5.226 -2.188 563 2HB CYS 91 1HB CYS 91 7.605 -6.209 -2.468 564 H ASN 92 H ASN 92 4.922 -3.643 -1.941 565 HA ASN 92 HA ASN 92 3.520 -6.148 -1.227 566 1HB ASN 92 2HB ASN 92 2.063 -4.887 0.394 567 2HB ASN 92 1HB ASN 92 3.742 -5.030 0.919 568 1HD2 ASN 92 1HD2 ASN 92 4.729 -3.089 1.513 569 2HD2 ASN 92 2HD2 ASN 92 4.196 -1.547 1.046 570 H LEU 93 H LEU 93 1.520 -6.282 -2.284 571 HA LEU 93 HA LEU 93 0.934 -4.131 -4.255 572 1HB LEU 93 2HB LEU 93 1.217 -6.427 -5.046 573 2HB LEU 93 1HB LEU 93 0.006 -6.998 -3.897 574 HG LEU 93 HG LEU 93 -1.678 -5.531 -5.014 575 1HD1 LEU 93 1HD1 LEU 93 0.749 -4.676 -6.409 576 2HD1 LEU 93 2HD1 LEU 93 -0.808 -3.865 -6.264 577 3HD1 LEU 93 3HD1 LEU 93 -0.565 -5.085 -7.512 578 1HD2 LEU 93 1HD2 LEU 93 -1.592 -6.889 -7.253 579 2HD2 LEU 93 2HD2 LEU 93 -1.804 -7.763 -5.736 580 3HD2 LEU 93 3HD2 LEU 93 -0.218 -7.703 -6.505 581 H GLY 94 H GLY 94 -1.152 -3.119 -4.308 582 1HA GLY 94 2HA GLY 94 -3.171 -3.970 -2.326 583 2HA GLY 94 1HA GLY 94 -2.484 -2.368 -2.068 584 H ALA 95 H ALA 95 -5.258 -3.066 -2.747 585 HA ALA 95 HA ALA 95 -5.507 -1.352 -5.182 586 1HB ALA 95 1HB ALA 95 -6.048 -4.189 -4.915 587 2HB ALA 95 2HB ALA 95 -6.097 -3.188 -6.365 588 3HB ALA 95 3HB ALA 95 -7.523 -3.317 -5.334 589 H GLY 96 H GLY 96 -8.161 -1.130 -5.429 590 1HA GLY 96 2HA GLY 96 -10.114 -1.147 -3.663 591 2HA GLY 96 1HA GLY 96 -9.021 -0.079 -2.781 592 H ASN 97 H ASN 97 -10.930 1.443 -3.066 593 HA ASN 97 HA ASN 97 -10.509 3.038 -5.532 594 1HB ASN 97 2HB ASN 97 -12.600 1.253 -5.233 595 2HB ASN 97 1HB ASN 97 -13.322 2.788 -4.738 596 1HD2 ASN 97 1HD2 ASN 97 -14.568 2.398 -6.891 597 2HD2 ASN 97 2HD2 ASN 97 -13.843 2.981 -8.312 598 H SER 98 H SER 98 -12.760 4.765 -4.942 599 HA SER 98 HA SER 98 -11.535 6.526 -2.991 600 1HB SER 98 2HB SER 98 -13.697 7.800 -3.459 601 2HB SER 98 1HB SER 98 -12.711 7.430 -4.870 602 HG SER 98 HG SER 98 -15.221 6.602 -4.218 603 H GLY 99 H GLY 99 -14.322 4.308 -2.927 604 1HA GLY 99 2HA GLY 99 -14.522 4.848 0.013 605 2HA GLY 99 1HA GLY 99 -15.940 4.524 -0.983 606 H LEU 100 H LEU 100 -16.164 2.361 -1.901 607 HA LEU 100 HA LEU 100 -15.936 0.198 -0.233 608 1HB LEU 100 2HB LEU 100 -16.921 0.440 -2.594 609 2HB LEU 100 1HB LEU 100 -15.314 0.008 -3.183 610 HG LEU 100 HG LEU 100 -16.439 -1.738 -1.060 611 1HD1 LEU 100 1HD1 LEU 100 -17.469 -2.900 -3.338 612 2HD1 LEU 100 2HD1 LEU 100 -17.825 -1.193 -3.597 613 3HD1 LEU 100 3HD1 LEU 100 -18.412 -2.006 -2.146 614 1HD2 LEU 100 1HD2 LEU 100 -14.655 -2.894 -1.816 615 2HD2 LEU 100 2HD2 LEU 100 -14.455 -1.787 -3.172 616 3HD2 LEU 100 3HD2 LEU 100 -15.538 -3.170 -3.317 617 H ASP 101 H ASP 101 -14.384 -1.503 0.094 618 HA ASP 101 HA ASP 101 -11.576 -0.832 -0.725 619 1HB ASP 101 2HB ASP 101 -11.025 -1.813 1.580 620 2HB ASP 101 1HB ASP 101 -11.841 -0.249 1.581 621 H LEU 102 H LEU 102 -10.474 -2.552 -1.627 622 HA LEU 102 HA LEU 102 -11.883 -5.143 -1.854 623 1HB LEU 102 2HB LEU 102 -9.551 -3.765 -3.171 624 2HB LEU 102 1HB LEU 102 -9.823 -5.492 -3.417 625 HG LEU 102 HG LEU 102 -11.961 -3.397 -3.872 626 1HD1 LEU 102 1HD1 LEU 102 -11.460 -3.847 -6.318 627 2HD1 LEU 102 2HD1 LEU 102 -9.979 -4.649 -5.791 628 3HD1 LEU 102 3HD1 LEU 102 -10.218 -2.931 -5.463 629 1HD2 LEU 102 1HD2 LEU 102 -11.698 -6.359 -4.239 630 2HD2 LEU 102 2HD2 LEU 102 -12.684 -5.458 -5.391 631 3HD2 LEU 102 3HD2 LEU 102 -13.080 -5.422 -3.674 632 H GLY 103 H GLY 103 -8.382 -4.605 -1.647 633 1HA GLY 103 2HA GLY 103 -7.986 -5.626 0.984 634 2HA GLY 103 1HA GLY 103 -7.880 -6.969 -0.156 635 H HIS 104 H HIS 104 -5.592 -6.671 1.035 636 HA HIS 104 HA HIS 104 -3.853 -5.284 -0.957 637 1HB HIS 104 2HB HIS 104 -2.501 -4.551 1.136 638 2HB HIS 104 1HB HIS 104 -3.994 -3.680 0.787 639 HD1 HIS 104 HD1 HIS 104 -2.381 -5.845 3.317 640 HD2 HIS 104 HD2 HIS 104 -6.234 -4.496 2.476 641 HE1 HIS 104 HE1 HIS 104 -3.775 -6.317 5.381 642 H VAL 105 H VAL 105 -2.392 -6.779 -1.670 643 HA VAL 105 HA VAL 105 -1.809 -9.156 0.033 644 HB VAL 105 HB VAL 105 -1.340 -8.498 -2.892 645 1HG1 VAL 105 1HG1 VAL 105 -1.178 -11.177 -2.778 646 2HG1 VAL 105 2HG1 VAL 105 -0.562 -10.810 -1.172 647 3HG1 VAL 105 3HG1 VAL 105 0.241 -10.151 -2.598 648 1HG2 VAL 105 1HG2 VAL 105 -3.659 -8.771 -2.634 649 2HG2 VAL 105 2HG2 VAL 105 -3.471 -9.976 -1.360 650 3HG2 VAL 105 3HG2 VAL 105 -3.127 -10.403 -3.036 651 H ALA 106 H ALA 106 0.504 -9.902 0.049 652 HA ALA 106 HA ALA 106 2.392 -7.572 0.009 653 1HB ALA 106 1HB ALA 106 1.656 -8.696 2.211 654 2HB ALA 106 2HB ALA 106 3.392 -8.519 1.951 655 3HB ALA 106 3HB ALA 106 2.614 -10.078 1.682 656 H LEU 107 H LEU 107 4.371 -7.891 -1.043 657 HA LEU 107 HA LEU 107 4.733 -10.565 -2.371 658 1HB LEU 107 2HB LEU 107 5.746 -7.902 -3.389 659 2HB LEU 107 1HB LEU 107 5.470 -9.386 -4.299 660 HG LEU 107 HG LEU 107 3.274 -7.765 -2.980 661 1HD1 LEU 107 1HD1 LEU 107 4.629 -7.542 -5.594 662 2HD1 LEU 107 2HD1 LEU 107 3.665 -6.352 -4.720 663 3HD1 LEU 107 3HD1 LEU 107 2.868 -7.597 -5.682 664 1HD2 LEU 107 1HD2 LEU 107 2.838 -10.204 -3.295 665 2HD2 LEU 107 2HD2 LEU 107 3.175 -10.015 -5.016 666 3HD2 LEU 107 3HD2 LEU 107 1.788 -9.200 -4.294 667 H THR 108 H THR 108 7.125 -10.906 -2.968 668 HA THR 108 HA THR 108 9.046 -9.560 -1.155 669 HB THR 108 HB THR 108 8.777 -12.553 -1.170 670 HG1 THR 108 HG1 THR 108 7.267 -12.448 0.324 671 1HG2 THR 108 1HG2 THR 108 10.451 -12.466 0.327 672 2HG2 THR 108 2HG2 THR 108 9.602 -11.251 1.284 673 3HG2 THR 108 3HG2 THR 108 10.616 -10.756 -0.073 674 H PHE 109 H PHE 109 11.067 -9.460 -2.135 675 HA PHE 109 HA PHE 109 11.392 -11.027 -4.670 676 1HB PHE 109 2HB PHE 109 12.245 -8.302 -3.711 677 2HB PHE 109 1HB PHE 109 13.104 -9.080 -5.040 678 HD1 PHE 109 HD1 PHE 109 10.132 -7.270 -4.061 679 HD2 PHE 109 HD2 PHE 109 11.772 -9.864 -7.070 680 HE1 PHE 109 HE1 PHE 109 8.335 -6.588 -5.630 681 HE2 PHE 109 HE2 PHE 109 9.974 -9.182 -8.638 682 HZ PHE 109 HZ PHE 109 8.252 -7.544 -7.920 683 H GLY 110 H GLY 110 12.342 -12.877 -3.594 684 1HA GLY 110 2HA GLY 110 14.499 -12.731 -1.732 685 2HA GLY 110 1HA GLY 110 14.134 -14.130 -2.744 686 2H2' ROM 111 2H2' ROM 111 -10.005 5.353 -5.955 687 2H3' ROM 111 2H3' ROM 111 -7.623 5.939 -8.204 688 H'1 ROM 111 H'1 ROM 111 -4.736 5.012 -9.518 689 3H18 ROM 111 3H18 ROM 111 -4.338 0.772 0.978 690 2H18 ROM 111 2H18 ROM 111 -4.631 0.000 -0.507 691 2H23 ROM 111 2H23 ROM 111 -4.490 6.419 -1.505 692 H1' ROM 111 H1' ROM 111 -7.572 7.394 -5.892 693 H2' ROM 111 H2' ROM 111 -10.462 7.350 -6.696 694 H3' ROM 111 H3' ROM 111 -9.523 7.003 -8.925 695 H4' ROM 111 H4' ROM 111 -9.893 9.309 -8.271 696 1H6B ROM 111 1H6B ROM 111 -8.411 11.424 -8.096 697 3H6B ROM 111 3H6B ROM 111 -9.279 11.357 -6.564 698 2H6B ROM 111 2H6B ROM 111 -7.530 11.584 -6.576 699 1H6A ROM 111 1H6A ROM 111 -6.497 8.229 -7.139 700 3H6A ROM 111 3H6A ROM 111 -6.239 9.765 -7.959 701 2H6A ROM 111 2H6A ROM 111 -6.183 9.684 -6.197 702 1H4B ROM 111 1H4B ROM 111 -10.139 9.592 -10.394 703 3H4B ROM 111 3H4B ROM 111 -9.453 11.134 -9.849 704 2H4B ROM 111 2H4B ROM 111 -8.833 10.355 -11.316 705 1H4A ROM 111 1H4A ROM 111 -7.381 8.803 -11.301 706 3H4A ROM 111 3H4A ROM 111 -6.736 8.076 -9.818 707 2H4A ROM 111 2H4A ROM 111 -8.329 7.587 -10.424 708 H'8 ROM 111 H'8 ROM 111 -0.603 5.764 -7.448 709 H'6 ROM 111 H'6 ROM 111 0.073 6.104 -11.650 710 1H3A ROM 111 1H3A ROM 111 -3.985 6.647 -14.459 711 2H3A ROM 111 2H3A ROM 111 -4.903 5.059 -14.197 712 1H7A ROM 111 1H7A ROM 111 2.529 7.695 -9.285 713 3H7A ROM 111 3H7A ROM 111 0.913 8.044 -9.898 714 2H7A ROM 111 2H7A ROM 111 1.169 7.825 -8.169 715 H3 ROM 111 H3 ROM 111 -4.242 6.258 -5.438 716 H6 ROM 111 H6 ROM 111 -7.176 2.685 -3.716 717 H5 ROM 111 H5 ROM 111 -5.089 2.077 -4.923 718 H12 ROM 111 H12 ROM 111 -4.957 8.392 -3.929 719 H8 ROM 111 H8 ROM 111 -8.958 4.948 -3.560 720 H13 ROM 111 H13 ROM 111 -3.395 3.022 -6.693 721 H10 ROM 111 H10 ROM 111 -8.498 7.989 -1.642 722 H11 ROM 111 H11 ROM 111 -6.294 9.371 -1.964 723 2H14 ROM 111 2H14 ROM 111 -1.854 2.208 -5.250 724 1H14 ROM 111 1H14 ROM 111 -1.395 3.840 -4.747 725 2H17 ROM 111 2H17 ROM 111 -3.710 0.878 -2.622 726 1H17 ROM 111 1H17 ROM 111 -2.225 0.451 -1.771 727 H18 ROM 111 H18 ROM 111 -2.782 2.285 -0.101 728 H20 ROM 111 H20 ROM 111 -6.153 1.108 -0.715 729 H24 ROM 111 H24 ROM 111 -3.521 4.439 -1.150 730 4H18 ROM 111 4H18 ROM 111 -3.090 -0.081 0.203 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -16.891 -5.490 3.678 2 2H ALA 1 2H ALA 1 -15.951 -4.475 4.663 3 3H ALA 1 3H ALA 1 -15.594 -6.132 4.567 4 HA ALA 1 HA ALA 1 -15.371 -4.208 2.306 5 1HB ALA 1 1HB ALA 1 -12.975 -5.502 3.362 6 2HB ALA 1 2HB ALA 1 -13.806 -4.546 4.589 7 3HB ALA 1 3HB ALA 1 -13.285 -3.788 3.084 8 HA PRO 2 HA PRO 2 -15.263 -7.846 -0.143 9 1HB PRO 2 2HB PRO 2 -13.693 -6.991 -2.213 10 2HB PRO 2 1HB PRO 2 -15.371 -6.461 -1.986 11 1HG PRO 2 2HG PRO 2 -12.839 -5.039 -1.344 12 2HG PRO 2 1HG PRO 2 -14.372 -4.398 -1.956 13 1HD PRO 2 2HD PRO 2 -13.569 -4.220 0.665 14 2HD PRO 2 1HD PRO 2 -15.266 -4.188 0.137 15 H ALA 3 H ALA 3 -13.346 -9.061 -1.552 16 HA ALA 3 HA ALA 3 -11.055 -9.367 0.362 17 1HB ALA 3 1HB ALA 3 -11.118 -11.712 -0.200 18 2HB ALA 3 2HB ALA 3 -12.237 -11.414 -1.530 19 3HB ALA 3 3HB ALA 3 -12.776 -11.214 0.137 20 H PHE 4 H PHE 4 -9.192 -10.631 -0.945 21 HA PHE 4 HA PHE 4 -8.850 -9.944 -3.749 22 1HB PHE 4 2HB PHE 4 -8.689 -7.721 -2.677 23 2HB PHE 4 1HB PHE 4 -7.412 -8.325 -1.621 24 HD1 PHE 4 HD1 PHE 4 -8.237 -8.284 -5.283 25 HD2 PHE 4 HD2 PHE 4 -5.225 -7.869 -2.254 26 HE1 PHE 4 HE1 PHE 4 -6.554 -7.770 -7.031 27 HE2 PHE 4 HE2 PHE 4 -3.538 -7.355 -3.999 28 HZ PHE 4 HZ PHE 4 -4.201 -7.304 -6.388 29 H SER 5 H SER 5 -7.335 -11.414 -4.532 30 HA SER 5 HA SER 5 -5.100 -12.257 -2.755 31 1HB SER 5 2HB SER 5 -6.413 -14.538 -4.015 32 2HB SER 5 1HB SER 5 -5.956 -14.310 -2.330 33 HG SER 5 HG SER 5 -8.365 -13.922 -3.593 34 H VAL 6 H VAL 6 -3.387 -13.274 -3.896 35 HA VAL 6 HA VAL 6 -3.499 -13.058 -6.887 36 HB VAL 6 HB VAL 6 -2.213 -11.276 -5.752 37 1HG1 VAL 6 1HG1 VAL 6 -1.601 -12.197 -3.679 38 2HG1 VAL 6 2HG1 VAL 6 -0.072 -12.165 -4.557 39 3HG1 VAL 6 3HG1 VAL 6 -0.974 -13.673 -4.415 40 1HG2 VAL 6 1HG2 VAL 6 -0.144 -11.546 -6.962 41 2HG2 VAL 6 2HG2 VAL 6 -1.401 -12.323 -7.922 42 3HG2 VAL 6 3HG2 VAL 6 -0.301 -13.302 -6.951 43 H SER 7 H SER 7 -2.154 -14.722 -7.992 44 HA SER 7 HA SER 7 -2.215 -17.291 -6.755 45 1HB SER 7 2HB SER 7 -0.898 -16.088 -9.179 46 2HB SER 7 1HB SER 7 -0.576 -17.766 -8.743 47 HG SER 7 HG SER 7 -2.922 -16.538 -9.623 48 HA PRO 8 HA PRO 8 2.243 -17.222 -5.480 49 1HB PRO 8 2HB PRO 8 4.188 -15.872 -6.814 50 2HB PRO 8 1HB PRO 8 3.611 -17.465 -7.326 51 1HG PRO 8 2HG PRO 8 3.006 -14.788 -8.445 52 2HG PRO 8 1HG PRO 8 3.161 -16.346 -9.268 53 1HD PRO 8 2HD PRO 8 0.757 -15.115 -8.646 54 2HD PRO 8 1HD PRO 8 0.974 -16.844 -8.983 55 H ALA 9 H ALA 9 3.630 -15.832 -4.093 56 HA ALA 9 HA ALA 9 2.986 -12.917 -4.143 57 1HB ALA 9 1HB ALA 9 2.049 -12.961 -1.966 58 2HB ALA 9 2HB ALA 9 2.660 -14.584 -1.650 59 3HB ALA 9 3HB ALA 9 1.332 -14.348 -2.785 60 H SER 10 H SER 10 5.319 -15.223 -3.983 61 HA SER 10 HA SER 10 7.220 -13.393 -2.624 62 1HB SER 10 2HB SER 10 7.768 -14.915 -0.953 63 2HB SER 10 1HB SER 10 6.053 -15.271 -1.141 64 HG SER 10 HG SER 10 8.303 -16.728 -1.908 65 H GLY 11 H GLY 11 9.537 -14.396 -2.911 66 1HA GLY 11 2HA GLY 11 11.170 -14.948 -4.516 67 2HA GLY 11 1HA GLY 11 10.184 -16.394 -4.745 68 H LEU 12 H LEU 12 9.404 -12.995 -5.439 69 HA LEU 12 HA LEU 12 8.433 -13.744 -8.111 70 1HB LEU 12 2HB LEU 12 8.608 -11.097 -6.642 71 2HB LEU 12 1HB LEU 12 7.662 -11.405 -8.099 72 HG LEU 12 HG LEU 12 7.279 -12.722 -5.397 73 1HD1 LEU 12 1HD1 LEU 12 5.557 -10.826 -7.019 74 2HD1 LEU 12 2HD1 LEU 12 6.411 -10.432 -5.528 75 3HD1 LEU 12 3HD1 LEU 12 5.079 -11.585 -5.502 76 1HD2 LEU 12 1HD2 LEU 12 6.136 -13.255 -8.132 77 2HD2 LEU 12 2HD2 LEU 12 5.180 -13.595 -6.689 78 3HD2 LEU 12 3HD2 LEU 12 6.725 -14.408 -6.936 79 H SER 13 H SER 13 9.045 -11.552 -9.634 80 HA SER 13 HA SER 13 11.936 -10.994 -9.537 81 1HB SER 13 2HB SER 13 10.719 -12.588 -11.805 82 2HB SER 13 1HB SER 13 12.414 -12.150 -11.626 83 HG SER 13 HG SER 13 12.572 -13.937 -10.539 84 H ASP 14 H ASP 14 12.529 -9.336 -11.090 85 HA ASP 14 HA ASP 14 10.483 -7.405 -11.645 86 1HB ASP 14 2HB ASP 14 12.375 -6.349 -12.948 87 2HB ASP 14 1HB ASP 14 12.808 -6.806 -11.301 88 H GLY 15 H GLY 15 9.021 -7.426 -13.297 89 1HA GLY 15 2HA GLY 15 8.455 -7.529 -15.652 90 2HA GLY 15 1HA GLY 15 9.797 -8.648 -15.884 91 H GLN 16 H GLN 16 8.940 -10.065 -13.368 92 HA GLN 16 HA GLN 16 7.457 -12.187 -14.539 93 1HB GLN 16 2HB GLN 16 8.896 -12.253 -12.501 94 2HB GLN 16 1HB GLN 16 7.661 -11.340 -11.636 95 1HG GLN 16 2HG GLN 16 6.078 -13.112 -11.819 96 2HG GLN 16 1HG GLN 16 7.053 -13.956 -13.020 97 1HE2 GLN 16 1HE2 GLN 16 6.118 -14.725 -10.175 98 2HE2 GLN 16 2HE2 GLN 16 7.544 -15.230 -9.414 99 H SER 17 H SER 17 5.276 -12.456 -14.860 100 HA SER 17 HA SER 17 3.445 -10.331 -13.840 101 1HB SER 17 2HB SER 17 2.004 -11.383 -15.704 102 2HB SER 17 1HB SER 17 3.437 -10.495 -16.210 103 HG SER 17 HG SER 17 3.891 -12.313 -17.180 104 H VAL 18 H VAL 18 2.141 -10.931 -12.151 105 HA VAL 18 HA VAL 18 1.767 -13.830 -11.578 106 HB VAL 18 HB VAL 18 1.000 -12.925 -9.379 107 1HG1 VAL 18 1HG1 VAL 18 3.202 -11.886 -8.744 108 2HG1 VAL 18 2HG1 VAL 18 3.626 -11.851 -10.456 109 3HG1 VAL 18 3HG1 VAL 18 3.370 -13.395 -9.643 110 1HG2 VAL 18 1HG2 VAL 18 0.475 -10.636 -10.854 111 2HG2 VAL 18 2HG2 VAL 18 1.924 -10.197 -9.950 112 3HG2 VAL 18 3HG2 VAL 18 0.479 -10.735 -9.093 113 H SER 19 H SER 19 -0.516 -14.378 -10.728 114 HA SER 19 HA SER 19 -2.538 -13.142 -12.560 115 1HB SER 19 2HB SER 19 -1.777 -15.804 -11.812 116 2HB SER 19 1HB SER 19 -3.445 -15.543 -11.313 117 HG SER 19 HG SER 19 -2.320 -15.118 -13.891 118 H VAL 20 H VAL 20 -3.530 -11.499 -11.367 119 HA VAL 20 HA VAL 20 -4.099 -11.908 -8.500 120 HB VAL 20 HB VAL 20 -4.577 -9.636 -10.446 121 1HG1 VAL 20 1HG1 VAL 20 -6.201 -9.424 -8.698 122 2HG1 VAL 20 2HG1 VAL 20 -4.881 -8.334 -8.272 123 3HG1 VAL 20 3HG1 VAL 20 -5.030 -9.895 -7.464 124 1HG2 VAL 20 1HG2 VAL 20 -2.717 -9.316 -8.190 125 2HG2 VAL 20 2HG2 VAL 20 -2.502 -8.898 -9.889 126 3HG2 VAL 20 3HG2 VAL 20 -2.217 -10.550 -9.346 127 H SER 21 H SER 21 -6.358 -11.286 -7.764 128 HA SER 21 HA SER 21 -8.579 -11.633 -9.612 129 1HB SER 21 2HB SER 21 -9.207 -13.842 -8.959 130 2HB SER 21 1HB SER 21 -7.480 -13.925 -9.290 131 HG SER 21 HG SER 21 -7.069 -14.047 -7.170 132 H VAL 22 H VAL 22 -9.871 -10.089 -8.676 133 HA VAL 22 HA VAL 22 -9.988 -9.870 -5.727 134 HB VAL 22 HB VAL 22 -11.216 -8.184 -7.927 135 1HG1 VAL 22 1HG1 VAL 22 -11.904 -8.098 -5.363 136 2HG1 VAL 22 2HG1 VAL 22 -11.694 -6.613 -6.292 137 3HG1 VAL 22 3HG1 VAL 22 -10.407 -7.178 -5.228 138 1HG2 VAL 22 1HG2 VAL 22 -8.474 -8.575 -7.253 139 2HG2 VAL 22 2HG2 VAL 22 -8.937 -6.980 -6.659 140 3HG2 VAL 22 3HG2 VAL 22 -9.155 -7.384 -8.363 141 H SER 23 H SER 23 -12.111 -9.837 -4.666 142 HA SER 23 HA SER 23 -14.496 -10.648 -6.153 143 1HB SER 23 2HB SER 23 -13.325 -12.604 -4.172 144 2HB SER 23 1HB SER 23 -14.622 -12.884 -5.331 145 HG SER 23 HG SER 23 -13.189 -13.142 -6.878 146 H GLY 24 H GLY 24 -16.059 -9.523 -5.076 147 1HA GLY 24 2HA GLY 24 -17.174 -9.780 -2.681 148 2HA GLY 24 1HA GLY 24 -15.699 -8.944 -2.189 149 H ALA 25 H ALA 25 -15.594 -7.352 -4.681 150 HA ALA 25 HA ALA 25 -17.035 -5.039 -3.831 151 1HB ALA 25 1HB ALA 25 -15.012 -5.143 -5.291 152 2HB ALA 25 2HB ALA 25 -16.295 -4.159 -5.993 153 3HB ALA 25 3HB ALA 25 -16.015 -5.797 -6.585 154 H ALA 26 H ALA 26 -17.957 -4.797 -6.900 155 HA ALA 26 HA ALA 26 -20.322 -6.521 -6.952 156 1HB ALA 26 1HB ALA 26 -21.049 -4.981 -5.268 157 2HB ALA 26 2HB ALA 26 -21.863 -4.503 -6.758 158 3HB ALA 26 3HB ALA 26 -20.459 -3.598 -6.190 159 H ALA 27 H ALA 27 -21.264 -6.548 -8.973 160 HA ALA 27 HA ALA 27 -19.859 -5.733 -11.262 161 1HB ALA 27 1HB ALA 27 -21.893 -7.336 -10.802 162 2HB ALA 27 2HB ALA 27 -21.735 -6.571 -12.384 163 3HB ALA 27 3HB ALA 27 -22.856 -5.912 -11.193 164 H GLY 28 H GLY 28 -19.706 -3.807 -12.337 165 1HA GLY 28 2HA GLY 28 -20.653 -1.739 -13.195 166 2HA GLY 28 1HA GLY 28 -21.727 -1.705 -11.799 167 H GLU 29 H GLU 29 -18.400 -2.528 -11.261 168 HA GLU 29 HA GLU 29 -17.835 0.273 -10.363 169 1HB GLU 29 2HB GLU 29 -17.525 -2.307 -8.802 170 2HB GLU 29 1HB GLU 29 -16.922 -0.740 -8.261 171 1HG GLU 29 2HG GLU 29 -19.814 -1.093 -9.038 172 2HG GLU 29 1HG GLU 29 -19.258 -1.502 -7.415 173 H THR 30 H THR 30 -15.698 0.888 -10.630 174 HA THR 30 HA THR 30 -13.848 -1.143 -11.828 175 HB THR 30 HB THR 30 -13.776 1.858 -12.192 176 HG1 THR 30 HG1 THR 30 -14.931 0.225 -14.118 177 1HG2 THR 30 1HG2 THR 30 -12.998 -0.152 -14.258 178 2HG2 THR 30 2HG2 THR 30 -11.927 0.069 -12.874 179 3HG2 THR 30 3HG2 THR 30 -12.308 1.435 -13.920 180 H TYR 31 H TYR 31 -11.932 -1.456 -10.735 181 HA TYR 31 HA TYR 31 -11.279 0.448 -8.516 182 1HB TYR 31 2HB TYR 31 -11.077 -2.526 -8.910 183 2HB TYR 31 1HB TYR 31 -10.046 -1.724 -7.727 184 HD1 TYR 31 HD1 TYR 31 -13.647 -1.664 -8.821 185 HD2 TYR 31 HD2 TYR 31 -10.850 -1.580 -5.562 186 HE1 TYR 31 HE1 TYR 31 -15.531 -1.600 -7.200 187 HE2 TYR 31 HE2 TYR 31 -12.729 -1.516 -3.944 188 HH TYR 31 HH TYR 31 -15.260 -2.323 -4.041 189 H TYR 32 H TYR 32 -8.888 0.610 -8.059 190 HA TYR 32 HA TYR 32 -7.304 0.376 -10.596 191 1HB TYR 32 2HB TYR 32 -7.318 2.400 -8.340 192 2HB TYR 32 1HB TYR 32 -6.069 2.362 -9.586 193 HD1 TYR 32 HD1 TYR 32 -9.720 2.771 -9.000 194 HD2 TYR 32 HD2 TYR 32 -6.480 3.192 -11.791 195 HE1 TYR 32 HE1 TYR 32 -11.203 4.038 -10.533 196 HE2 TYR 32 HE2 TYR 32 -7.965 4.458 -13.322 197 HH TYR 32 HH TYR 32 -11.043 4.400 -13.361 198 H ILE 33 H ILE 33 -5.300 -0.665 -10.423 199 HA ILE 33 HA ILE 33 -4.427 -1.457 -7.661 200 HB ILE 33 HB ILE 33 -5.617 -3.261 -8.861 201 1HG1 ILE 33 2HG1 ILE 33 -3.419 -3.553 -7.401 202 2HG1 ILE 33 1HG1 ILE 33 -4.100 -4.929 -8.262 203 1HG2 ILE 33 1HG2 ILE 33 -4.553 -4.211 -10.917 204 2HG2 ILE 33 2HG2 ILE 33 -3.444 -2.839 -10.935 205 3HG2 ILE 33 3HG2 ILE 33 -5.173 -2.578 -11.153 206 1HD1 ILE 33 1HD1 ILE 33 -1.785 -3.189 -9.172 207 2HD1 ILE 33 2HD1 ILE 33 -2.530 -4.436 -10.167 208 3HD1 ILE 33 3HD1 ILE 33 -1.705 -4.877 -8.674 209 H ALA 34 H ALA 34 -2.180 -1.499 -7.342 210 HA ALA 34 HA ALA 34 -0.303 -1.182 -9.569 211 1HB ALA 34 1HB ALA 34 -0.882 1.083 -7.632 212 2HB ALA 34 2HB ALA 34 -1.277 1.071 -9.351 213 3HB ALA 34 3HB ALA 34 0.410 1.084 -8.833 214 H GLN 35 H GLN 35 1.950 -1.199 -8.760 215 HA GLN 35 HA GLN 35 2.205 -2.742 -6.269 216 1HB GLN 35 2HB GLN 35 3.488 -3.401 -8.199 217 2HB GLN 35 1HB GLN 35 4.104 -1.761 -8.415 218 1HG GLN 35 2HG GLN 35 5.757 -2.080 -6.908 219 2HG GLN 35 1HG GLN 35 4.646 -2.791 -5.737 220 1HE2 GLN 35 1HE2 GLN 35 7.408 -3.711 -6.709 221 2HE2 GLN 35 2HE2 GLN 35 7.165 -5.320 -7.191 222 H CYS 36 H CYS 36 2.520 -1.747 -4.316 223 HA CYS 36 HA CYS 36 3.915 0.910 -4.298 224 1HB CYS 36 2HB CYS 36 1.574 -0.028 -2.611 225 2HB CYS 36 1HB CYS 36 2.328 1.565 -2.537 226 H ALA 37 H ALA 37 4.547 1.380 -1.857 227 HA ALA 37 HA ALA 37 5.154 -0.926 -0.190 228 1HB ALA 37 1HB ALA 37 7.462 -1.128 -0.664 229 2HB ALA 37 2HB ALA 37 7.518 0.436 -1.476 230 3HB ALA 37 3HB ALA 37 6.733 -0.937 -2.257 231 HA PRO 38 HA PRO 38 5.457 2.396 2.654 232 1HB PRO 38 2HB PRO 38 6.797 1.160 4.689 233 2HB PRO 38 1HB PRO 38 5.090 0.852 4.319 234 1HG PRO 38 2HG PRO 38 7.488 -0.778 3.663 235 2HG PRO 38 1HG PRO 38 5.854 -1.299 4.105 236 1HD PRO 38 2HD PRO 38 6.827 -1.279 1.529 237 2HD PRO 38 1HD PRO 38 5.102 -1.194 1.950 238 H VAL 39 H VAL 39 7.075 3.774 3.745 239 HA VAL 39 HA VAL 39 9.903 3.339 2.928 240 HB VAL 39 HB VAL 39 9.878 5.730 2.051 241 1HG1 VAL 39 1HG1 VAL 39 9.475 4.931 -0.041 242 2HG1 VAL 39 2HG1 VAL 39 7.873 4.331 0.392 243 3HG1 VAL 39 3HG1 VAL 39 9.306 3.381 0.784 244 1HG2 VAL 39 1HG2 VAL 39 7.654 6.140 3.322 245 2HG2 VAL 39 2HG2 VAL 39 6.890 5.376 1.931 246 3HG2 VAL 39 3HG2 VAL 39 7.835 6.851 1.721 247 H GLY 40 H GLY 40 9.310 2.999 5.456 248 1HA GLY 40 2HA GLY 40 9.388 3.857 7.668 249 2HA GLY 40 1HA GLY 40 10.812 4.673 7.024 250 H GLY 41 H GLY 41 7.401 5.231 6.160 251 1HA GLY 41 2HA GLY 41 6.991 7.544 7.763 252 2HA GLY 41 1HA GLY 41 7.659 8.068 6.216 253 H GLN 42 H GLN 42 6.486 7.226 4.245 254 HA GLN 42 HA GLN 42 3.553 6.929 4.800 255 1HB GLN 42 2HB GLN 42 5.157 8.738 3.057 256 2HB GLN 42 1HB GLN 42 3.621 8.161 2.406 257 1HG GLN 42 2HG GLN 42 2.582 9.740 3.628 258 2HG GLN 42 1HG GLN 42 3.092 8.877 5.081 259 1HE2 GLN 42 1HE2 GLN 42 2.900 11.836 4.707 260 2HE2 GLN 42 2HE2 GLN 42 4.459 12.440 4.999 261 H ASP 43 H ASP 43 2.712 6.486 2.200 262 HA ASP 43 HA ASP 43 4.056 3.893 1.523 263 1HB ASP 43 2HB ASP 43 1.375 4.681 2.094 264 2HB ASP 43 1HB ASP 43 1.433 4.209 0.396 265 H ALA 44 H ALA 44 5.440 4.365 -0.182 266 HA ALA 44 HA ALA 44 4.660 6.325 -2.261 267 1HB ALA 44 1HB ALA 44 7.097 4.578 -2.351 268 2HB ALA 44 2HB ALA 44 6.981 5.791 -1.078 269 3HB ALA 44 3HB ALA 44 6.932 6.282 -2.773 270 H CYS 45 H CYS 45 3.400 5.586 -3.949 271 HA CYS 45 HA CYS 45 3.339 2.701 -4.610 272 1HB CYS 45 2HB CYS 45 1.751 5.168 -5.194 273 2HB CYS 45 1HB CYS 45 1.611 3.814 -6.311 274 H ASN 46 H ASN 46 3.159 2.346 -7.161 275 HA ASN 46 HA ASN 46 5.594 3.604 -8.354 276 1HB ASN 46 2HB ASN 46 5.337 1.088 -7.936 277 2HB ASN 46 1HB ASN 46 4.130 1.105 -9.223 278 1HD2 ASN 46 1HD2 ASN 46 5.589 -0.249 -10.564 279 2HD2 ASN 46 2HD2 ASN 46 6.935 0.448 -11.330 280 HA PRO 47 HA PRO 47 2.616 5.513 -11.075 281 1HB PRO 47 2HB PRO 47 4.371 7.225 -12.268 282 2HB PRO 47 1HB PRO 47 3.691 7.512 -10.658 283 1HG PRO 47 2HG PRO 47 6.394 6.597 -11.419 284 2HG PRO 47 1HG PRO 47 5.869 7.525 -10.007 285 1HD PRO 47 2HD PRO 47 6.470 4.784 -10.056 286 2HD PRO 47 1HD PRO 47 5.625 5.651 -8.756 287 H ALA 48 H ALA 48 5.290 3.548 -11.781 288 HA ALA 48 HA ALA 48 5.327 3.767 -14.675 289 1HB ALA 48 1HB ALA 48 6.770 1.804 -14.478 290 2HB ALA 48 2HB ALA 48 6.205 1.524 -12.832 291 3HB ALA 48 3HB ALA 48 7.177 2.948 -13.200 292 H THR 49 H THR 49 4.373 0.961 -12.690 293 HA THR 49 HA THR 49 2.532 0.074 -14.833 294 HB THR 49 HB THR 49 2.407 -1.938 -13.315 295 HG1 THR 49 HG1 THR 49 3.093 -1.704 -11.364 296 1HG2 THR 49 1HG2 THR 49 5.036 -0.833 -14.280 297 2HG2 THR 49 2HG2 THR 49 4.044 -2.102 -14.998 298 3HG2 THR 49 3HG2 THR 49 4.946 -2.420 -13.516 299 H ALA 50 H ALA 50 0.665 1.379 -14.691 300 HA ALA 50 HA ALA 50 -0.914 1.084 -12.171 301 1HB ALA 50 1HB ALA 50 0.432 3.272 -12.411 302 2HB ALA 50 2HB ALA 50 -1.289 3.432 -12.064 303 3HB ALA 50 3HB ALA 50 -0.694 3.677 -13.706 304 H THR 51 H THR 51 -2.568 -0.186 -13.039 305 HA THR 51 HA THR 51 -4.016 0.947 -15.411 306 HB THR 51 HB THR 51 -2.707 -1.041 -16.005 307 HG1 THR 51 HG1 THR 51 -5.371 -1.903 -15.690 308 1HG2 THR 51 1HG2 THR 51 -4.072 -3.060 -14.528 309 2HG2 THR 51 2HG2 THR 51 -3.484 -1.858 -13.380 310 3HG2 THR 51 3HG2 THR 51 -2.358 -2.650 -14.481 311 H SER 52 H SER 52 -6.315 -0.236 -15.474 312 HA SER 52 HA SER 52 -7.390 -0.457 -12.683 313 1HB SER 52 2HB SER 52 -9.364 0.879 -13.708 314 2HB SER 52 1HB SER 52 -7.891 1.762 -13.320 315 HG SER 52 HG SER 52 -8.586 0.678 -15.858 316 H PHE 53 H PHE 53 -9.399 -1.673 -12.566 317 HA PHE 53 HA PHE 53 -10.142 -3.231 -14.999 318 1HB PHE 53 2HB PHE 53 -10.069 -5.279 -13.573 319 2HB PHE 53 1HB PHE 53 -8.487 -4.516 -13.730 320 HD1 PHE 53 HD1 PHE 53 -7.820 -2.800 -11.887 321 HD2 PHE 53 HD2 PHE 53 -10.964 -5.693 -11.441 322 HE1 PHE 53 HE1 PHE 53 -7.683 -2.570 -9.421 323 HE2 PHE 53 HE2 PHE 53 -10.827 -5.462 -8.977 324 HZ PHE 53 HZ PHE 53 -9.185 -3.902 -7.967 325 H THR 54 H THR 54 -12.154 -4.725 -14.184 326 HA THR 54 HA THR 54 -13.886 -3.160 -12.319 327 HB THR 54 HB THR 54 -14.416 -3.829 -15.232 328 HG1 THR 54 HG1 THR 54 -14.182 -1.749 -15.517 329 1HG2 THR 54 1HG2 THR 54 -16.261 -3.371 -12.983 330 2HG2 THR 54 2HG2 THR 54 -16.557 -4.125 -14.548 331 3HG2 THR 54 3HG2 THR 54 -16.568 -2.369 -14.398 332 H THR 55 H THR 55 -15.739 -4.445 -11.559 333 HA THR 55 HA THR 55 -15.159 -7.331 -11.453 334 HB THR 55 HB THR 55 -17.286 -7.173 -9.965 335 HG1 THR 55 HG1 THR 55 -18.231 -5.317 -10.359 336 1HG2 THR 55 1HG2 THR 55 -15.500 -7.267 -8.569 337 2HG2 THR 55 2HG2 THR 55 -15.729 -5.527 -8.406 338 3HG2 THR 55 3HG2 THR 55 -14.553 -6.155 -9.559 339 H ASP 56 H ASP 56 -17.234 -8.788 -11.618 340 HA ASP 56 HA ASP 56 -18.591 -8.109 -14.199 341 1HB ASP 56 2HB ASP 56 -18.628 -10.492 -14.589 342 2HB ASP 56 1HB ASP 56 -17.004 -10.086 -14.039 343 H ALA 57 H ALA 57 -20.582 -10.160 -13.933 344 HA ALA 57 HA ALA 57 -22.589 -8.771 -12.435 345 1HB ALA 57 1HB ALA 57 -23.645 -11.211 -12.771 346 2HB ALA 57 2HB ALA 57 -22.257 -11.377 -13.849 347 3HB ALA 57 3HB ALA 57 -23.440 -10.098 -14.123 348 H SER 58 H SER 58 -20.332 -11.305 -11.564 349 HA SER 58 HA SER 58 -21.719 -11.842 -9.004 350 1HB SER 58 2HB SER 58 -19.177 -12.904 -10.268 351 2HB SER 58 1HB SER 58 -19.898 -13.530 -8.788 352 HG SER 58 HG SER 58 -21.675 -14.174 -9.954 353 H GLY 59 H GLY 59 -20.149 -9.252 -9.863 354 1HA GLY 59 2HA GLY 59 -18.699 -7.718 -8.820 355 2HA GLY 59 1HA GLY 59 -19.280 -8.433 -7.316 356 H ALA 60 H ALA 60 -17.272 -9.698 -9.979 357 HA ALA 60 HA ALA 60 -14.980 -10.016 -8.132 358 1HB ALA 60 1HB ALA 60 -16.207 -12.023 -7.694 359 2HB ALA 60 2HB ALA 60 -14.931 -12.489 -8.818 360 3HB ALA 60 3HB ALA 60 -16.578 -12.249 -9.404 361 H ALA 61 H ALA 61 -13.023 -9.990 -9.278 362 HA ALA 61 HA ALA 61 -13.168 -10.210 -12.261 363 1HB ALA 61 1HB ALA 61 -12.636 -7.911 -10.569 364 2HB ALA 61 2HB ALA 61 -12.878 -7.970 -12.314 365 3HB ALA 61 3HB ALA 61 -11.271 -8.238 -11.637 366 H SER 62 H SER 62 -11.031 -10.596 -13.236 367 HA SER 62 HA SER 62 -8.848 -11.489 -11.450 368 1HB SER 62 2HB SER 62 -10.779 -13.226 -12.843 369 2HB SER 62 1HB SER 62 -9.097 -13.655 -13.137 370 HG SER 62 HG SER 62 -9.650 -14.688 -11.281 371 H PHE 63 H PHE 63 -6.900 -11.038 -12.473 372 HA PHE 63 HA PHE 63 -6.686 -11.154 -15.396 373 1HB PHE 63 2HB PHE 63 -6.227 -8.719 -15.596 374 2HB PHE 63 1HB PHE 63 -7.861 -9.029 -15.006 375 HD1 PHE 63 HD1 PHE 63 -4.816 -7.307 -14.383 376 HD2 PHE 63 HD2 PHE 63 -8.165 -9.126 -12.400 377 HE1 PHE 63 HE1 PHE 63 -4.316 -5.987 -12.340 378 HE2 PHE 63 HE2 PHE 63 -7.666 -7.807 -10.357 379 HZ PHE 63 HZ PHE 63 -5.746 -6.238 -10.327 380 H SER 64 H SER 64 -4.433 -10.538 -16.090 381 HA SER 64 HA SER 64 -2.482 -11.389 -14.027 382 1HB SER 64 2HB SER 64 -2.448 -10.994 -17.022 383 2HB SER 64 1HB SER 64 -0.998 -11.408 -16.113 384 HG SER 64 HG SER 64 -2.047 -13.276 -16.872 385 H PHE 65 H PHE 65 -0.942 -10.015 -13.186 386 HA PHE 65 HA PHE 65 -0.761 -7.249 -14.293 387 1HB PHE 65 2HB PHE 65 -2.122 -7.189 -12.320 388 2HB PHE 65 1HB PHE 65 -1.023 -8.265 -11.458 389 HD1 PHE 65 HD1 PHE 65 -0.964 -4.992 -13.289 390 HD2 PHE 65 HD2 PHE 65 0.514 -7.318 -9.997 391 HE1 PHE 65 HE1 PHE 65 0.321 -3.035 -12.485 392 HE2 PHE 65 HE2 PHE 65 1.799 -5.363 -9.192 393 HZ PHE 65 HZ PHE 65 1.707 -3.219 -10.433 394 H VAL 66 H VAL 66 1.357 -6.587 -14.641 395 HA VAL 66 HA VAL 66 3.536 -8.461 -14.012 396 HB VAL 66 HB VAL 66 3.637 -5.694 -15.232 397 1HG1 VAL 66 1HG1 VAL 66 5.524 -7.931 -14.864 398 2HG1 VAL 66 2HG1 VAL 66 5.849 -6.218 -15.128 399 3HG1 VAL 66 3HG1 VAL 66 5.485 -7.269 -16.498 400 1HG2 VAL 66 1HG2 VAL 66 2.179 -6.657 -16.733 401 2HG2 VAL 66 2HG2 VAL 66 2.656 -8.298 -16.297 402 3HG2 VAL 66 3HG2 VAL 66 3.677 -7.339 -17.367 403 H VAL 67 H VAL 67 5.504 -7.704 -12.913 404 HA VAL 67 HA VAL 67 5.037 -5.511 -10.923 405 HB VAL 67 HB VAL 67 6.169 -7.096 -9.283 406 1HG1 VAL 67 1HG1 VAL 67 4.112 -8.394 -8.898 407 2HG1 VAL 67 2HG1 VAL 67 3.552 -7.998 -10.523 408 3HG1 VAL 67 3HG1 VAL 67 3.726 -6.725 -9.316 409 1HG2 VAL 67 1HG2 VAL 67 6.588 -8.565 -11.645 410 2HG2 VAL 67 2HG2 VAL 67 5.370 -9.472 -10.749 411 3HG2 VAL 67 3HG2 VAL 67 6.921 -9.101 -9.998 412 H ARG 68 H ARG 68 7.381 -5.293 -9.699 413 HA ARG 68 HA ARG 68 9.636 -5.720 -11.558 414 1HB ARG 68 2HB ARG 68 8.097 -3.238 -11.325 415 2HB ARG 68 1HB ARG 68 9.830 -3.002 -11.086 416 1HG ARG 68 2HG ARG 68 10.350 -3.996 -13.203 417 2HG ARG 68 1HG ARG 68 8.697 -4.575 -13.407 418 1HD ARG 68 2HD ARG 68 8.044 -2.599 -14.305 419 2HD ARG 68 1HD ARG 68 8.774 -1.690 -12.966 420 HE ARG 68 HE ARG 68 10.214 -2.567 -15.419 421 1HH1 ARG 68 1HH1 ARG 68 11.993 -2.590 -13.028 422 2HH1 ARG 68 2HH1 ARG 68 12.608 -0.970 -13.009 423 1HH2 ARG 68 1HH2 ARG 68 10.162 0.263 -15.137 424 2HH2 ARG 68 2HH2 ARG 68 11.571 0.645 -14.203 425 H LYS 69 H LYS 69 10.963 -6.626 -10.020 426 HA LYS 69 HA LYS 69 11.154 -6.368 -7.309 427 1HB LYS 69 2HB LYS 69 12.594 -7.617 -9.068 428 2HB LYS 69 1HB LYS 69 13.613 -6.176 -9.044 429 1HG LYS 69 2HG LYS 69 13.235 -6.665 -6.362 430 2HG LYS 69 1HG LYS 69 13.324 -8.294 -7.032 431 1HD LYS 69 2HD LYS 69 15.348 -6.894 -8.356 432 2HD LYS 69 1HD LYS 69 15.445 -6.330 -6.687 433 1HE LYS 69 2HE LYS 69 16.730 -8.246 -6.477 434 2HE LYS 69 1HE LYS 69 15.133 -8.983 -6.238 435 1HZ LYS 69 1HZ LYS 69 16.778 -9.780 -8.148 436 2HZ LYS 69 2HZ LYS 69 15.984 -8.537 -8.991 437 3HZ LYS 69 3HZ LYS 69 15.093 -9.822 -8.326 438 H SER 70 H SER 70 12.093 -3.896 -9.644 439 HA SER 70 HA SER 70 12.596 -2.017 -7.362 440 1HB SER 70 2HB SER 70 14.743 -2.781 -8.200 441 2HB SER 70 1HB SER 70 14.254 -2.471 -9.861 442 HG SER 70 HG SER 70 15.540 -0.780 -8.946 443 H TYR 71 H TYR 71 11.963 0.157 -7.816 444 HA TYR 71 HA TYR 71 11.183 1.064 -10.454 445 1HB TYR 71 2HB TYR 71 8.798 0.878 -10.231 446 2HB TYR 71 1HB TYR 71 9.455 -0.700 -9.790 447 HD1 TYR 71 HD1 TYR 71 8.265 2.540 -8.362 448 HD2 TYR 71 HD2 TYR 71 9.103 -1.611 -7.622 449 HE1 TYR 71 HE1 TYR 71 7.219 2.728 -6.119 450 HE2 TYR 71 HE2 TYR 71 8.055 -1.420 -5.381 451 HH TYR 71 HH TYR 71 6.054 0.986 -4.481 452 H THR 72 H THR 72 10.691 3.317 -10.403 453 HA THR 72 HA THR 72 11.522 4.778 -8.058 454 HB THR 72 HB THR 72 9.910 5.919 -10.309 455 HG1 THR 72 HG1 THR 72 12.299 5.930 -11.171 456 1HG2 THR 72 1HG2 THR 72 10.650 7.758 -9.219 457 2HG2 THR 72 2HG2 THR 72 12.213 7.391 -9.946 458 3HG2 THR 72 3HG2 THR 72 11.849 6.834 -8.314 459 H GLY 73 H GLY 73 10.272 5.491 -6.357 460 1HA GLY 73 2HA GLY 73 7.434 4.752 -6.299 461 2HA GLY 73 1HA GLY 73 8.345 5.464 -4.969 462 H SER 74 H SER 74 5.806 6.390 -5.546 463 HA SER 74 HA SER 74 6.163 9.220 -5.799 464 1HB SER 74 2HB SER 74 6.667 8.499 -8.143 465 2HB SER 74 1HB SER 74 5.057 7.793 -8.248 466 HG SER 74 HG SER 74 4.326 9.718 -8.639 467 H THR 75 H THR 75 4.412 9.997 -4.667 468 HA THR 75 HA THR 75 2.253 8.458 -3.727 469 HB THR 75 HB THR 75 1.219 10.788 -3.425 470 HG1 THR 75 HG1 THR 75 3.203 12.286 -3.849 471 1HG2 THR 75 1HG2 THR 75 2.412 10.825 -1.514 472 2HG2 THR 75 2HG2 THR 75 3.907 11.155 -2.389 473 3HG2 THR 75 3HG2 THR 75 3.358 9.491 -2.175 474 HA PRO 76 HA PRO 76 -0.377 7.978 -7.227 475 1HB PRO 76 2HB PRO 76 -2.723 7.477 -5.910 476 2HB PRO 76 1HB PRO 76 -1.405 6.291 -6.031 477 1HG PRO 76 2HG PRO 76 -2.120 8.099 -3.768 478 2HG PRO 76 1HG PRO 76 -1.586 6.413 -3.737 479 1HD PRO 76 2HD PRO 76 0.069 8.496 -3.190 480 2HD PRO 76 1HD PRO 76 0.636 6.969 -3.903 481 H GLU 77 H GLU 77 -1.598 10.046 -4.556 482 HA GLU 77 HA GLU 77 -3.664 11.423 -5.770 483 1HB GLU 77 2HB GLU 77 -2.571 13.462 -4.474 484 2HB GLU 77 1HB GLU 77 -3.204 12.080 -3.585 485 1HG GLU 77 2HG GLU 77 -0.461 11.574 -4.370 486 2HG GLU 77 1HG GLU 77 -0.573 13.102 -3.499 487 H GLY 78 H GLY 78 -0.391 12.844 -5.818 488 1HA GLY 78 2HA GLY 78 -0.094 13.110 -8.602 489 2HA GLY 78 1HA GLY 78 -0.996 14.529 -8.066 490 H THR 79 H THR 79 1.727 12.687 -6.656 491 HA THR 79 HA THR 79 3.443 15.097 -6.854 492 HB THR 79 HB THR 79 3.724 14.235 -4.198 493 HG1 THR 79 HG1 THR 79 1.781 13.826 -3.464 494 1HG2 THR 79 1HG2 THR 79 3.908 16.528 -4.691 495 2HG2 THR 79 2HG2 THR 79 2.402 16.424 -3.778 496 3HG2 THR 79 3HG2 THR 79 2.360 16.562 -5.536 497 HA PRO 80 HA PRO 80 6.422 11.874 -7.103 498 1HB PRO 80 2HB PRO 80 8.686 13.389 -6.894 499 2HB PRO 80 1HB PRO 80 7.656 13.390 -8.339 500 1HG PRO 80 2HG PRO 80 7.976 15.457 -6.275 501 2HG PRO 80 1HG PRO 80 7.399 15.604 -7.939 502 1HD PRO 80 2HD PRO 80 5.829 15.524 -5.553 503 2HD PRO 80 1HD PRO 80 5.251 15.585 -7.233 504 H VAL 81 H VAL 81 8.487 11.135 -5.835 505 HA VAL 81 HA VAL 81 8.497 11.954 -2.987 506 HB VAL 81 HB VAL 81 7.701 9.271 -4.092 507 1HG1 VAL 81 1HG1 VAL 81 9.304 8.719 -2.411 508 2HG1 VAL 81 2HG1 VAL 81 7.726 8.561 -1.640 509 3HG1 VAL 81 3HG1 VAL 81 8.714 9.991 -1.338 510 1HG2 VAL 81 1HG2 VAL 81 5.917 10.938 -3.713 511 2HG2 VAL 81 2HG2 VAL 81 6.447 11.118 -2.040 512 3HG2 VAL 81 3HG2 VAL 81 5.771 9.584 -2.591 513 H GLY 82 H GLY 82 9.622 9.041 -4.662 514 1HA GLY 82 2HA GLY 82 12.335 9.866 -5.024 515 2HA GLY 82 1HA GLY 82 12.195 8.999 -3.493 516 H SER 83 H SER 83 13.584 7.343 -4.541 517 HA SER 83 HA SER 83 12.146 5.685 -6.566 518 1HB SER 83 2HB SER 83 15.037 5.675 -5.663 519 2HB SER 83 1HB SER 83 14.381 4.812 -7.051 520 HG SER 83 HG SER 83 15.401 7.108 -7.195 521 H VAL 84 H VAL 84 12.119 3.331 -6.235 522 HA VAL 84 HA VAL 84 12.403 2.509 -3.360 523 HB VAL 84 HB VAL 84 10.236 2.126 -5.418 524 1HG1 VAL 84 1HG1 VAL 84 10.491 -0.145 -4.887 525 2HG1 VAL 84 2HG1 VAL 84 9.325 0.385 -3.674 526 3HG1 VAL 84 3HG1 VAL 84 11.025 0.197 -3.240 527 1HG2 VAL 84 1HG2 VAL 84 10.423 2.923 -2.504 528 2HG2 VAL 84 2HG2 VAL 84 8.882 2.478 -3.238 529 3HG2 VAL 84 3HG2 VAL 84 9.786 3.862 -3.855 530 H ASP 85 H ASP 85 13.034 0.256 -3.053 531 HA ASP 85 HA ASP 85 13.899 -1.244 -5.472 532 1HB ASP 85 2HB ASP 85 16.155 -1.527 -4.284 533 2HB ASP 85 1HB ASP 85 15.829 0.063 -4.975 534 H CYS 86 H CYS 86 12.450 -2.919 -4.948 535 HA CYS 86 HA CYS 86 12.019 -4.044 -2.359 536 1HB CYS 86 2HB CYS 86 11.010 -4.277 -4.909 537 2HB CYS 86 1HB CYS 86 11.802 -5.838 -4.683 538 H ALA 87 H ALA 87 14.805 -4.180 -4.289 539 HA ALA 87 HA ALA 87 15.762 -6.813 -4.065 540 1HB ALA 87 1HB ALA 87 16.994 -5.212 -5.319 541 2HB ALA 87 2HB ALA 87 18.022 -5.548 -3.927 542 3HB ALA 87 3HB ALA 87 17.047 -4.078 -3.967 543 H THR 88 H THR 88 15.629 -4.228 -1.685 544 HA THR 88 HA THR 88 16.353 -6.204 0.443 545 HB THR 88 HB THR 88 18.299 -4.817 -0.131 546 HG1 THR 88 HG1 THR 88 18.385 -3.651 1.973 547 1HG2 THR 88 1HG2 THR 88 18.108 -2.646 -0.705 548 2HG2 THR 88 2HG2 THR 88 17.226 -2.272 0.775 549 3HG2 THR 88 3HG2 THR 88 16.360 -2.868 -0.640 550 H ALA 89 H ALA 89 14.047 -4.151 -0.758 551 HA ALA 89 HA ALA 89 13.072 -3.309 1.934 552 1HB ALA 89 1HB ALA 89 12.065 -1.500 0.816 553 2HB ALA 89 2HB ALA 89 12.031 -2.360 -0.724 554 3HB ALA 89 3HB ALA 89 13.555 -1.733 -0.097 555 H ALA 90 H ALA 90 10.771 -3.632 2.384 556 HA ALA 90 HA ALA 90 9.700 -6.086 1.099 557 1HB ALA 90 1HB ALA 90 8.390 -4.627 3.364 558 2HB ALA 90 2HB ALA 90 9.945 -5.405 3.662 559 3HB ALA 90 3HB ALA 90 8.569 -6.364 3.111 560 H CYS 91 H CYS 91 8.332 -5.773 -0.619 561 HA CYS 91 HA CYS 91 6.704 -3.259 -0.711 562 1HB CYS 91 2HB CYS 91 7.197 -5.215 -2.963 563 2HB CYS 91 1HB CYS 91 6.775 -3.507 -3.076 564 H ASN 92 H ASN 92 4.542 -3.663 -1.942 565 HA ASN 92 HA ASN 92 3.330 -6.315 -1.577 566 1HB ASN 92 2HB ASN 92 1.792 -5.619 0.160 567 2HB ASN 92 1HB ASN 92 3.420 -5.205 0.698 568 1HD2 ASN 92 1HD2 ASN 92 3.680 -3.075 1.388 569 2HD2 ASN 92 2HD2 ASN 92 2.663 -1.784 0.963 570 H LEU 93 H LEU 93 1.325 -6.454 -2.715 571 HA LEU 93 HA LEU 93 0.877 -4.352 -4.716 572 1HB LEU 93 2HB LEU 93 0.807 -6.835 -5.119 573 2HB LEU 93 1HB LEU 93 -0.644 -6.908 -4.118 574 HG LEU 93 HG LEU 93 -1.772 -5.325 -5.646 575 1HD1 LEU 93 1HD1 LEU 93 -0.087 -5.478 -7.920 576 2HD1 LEU 93 2HD1 LEU 93 0.931 -4.965 -6.574 577 3HD1 LEU 93 3HD1 LEU 93 -0.511 -4.039 -6.992 578 1HD2 LEU 93 1HD2 LEU 93 -2.194 -7.603 -6.164 579 2HD2 LEU 93 2HD2 LEU 93 -0.564 -7.849 -6.789 580 3HD2 LEU 93 3HD2 LEU 93 -1.724 -6.886 -7.705 581 H GLY 94 H GLY 94 -0.603 -2.709 -4.452 582 1HA GLY 94 2HA GLY 94 -2.734 -3.120 -2.393 583 2HA GLY 94 1HA GLY 94 -1.924 -1.568 -2.610 584 H ALA 95 H ALA 95 -4.807 -2.613 -3.008 585 HA ALA 95 HA ALA 95 -5.197 -1.364 -5.708 586 1HB ALA 95 1HB ALA 95 -5.579 -3.654 -6.080 587 2HB ALA 95 2HB ALA 95 -7.200 -3.069 -5.707 588 3HB ALA 95 3HB ALA 95 -6.254 -3.896 -4.470 589 H GLY 96 H GLY 96 -7.965 -1.266 -5.693 590 1HA GLY 96 2HA GLY 96 -9.752 -0.657 -3.977 591 2HA GLY 96 1HA GLY 96 -8.535 0.404 -3.275 592 H ASN 97 H ASN 97 -11.241 0.630 -4.945 593 HA ASN 97 HA ASN 97 -10.359 2.477 -7.071 594 1HB ASN 97 2HB ASN 97 -12.531 2.187 -7.886 595 2HB ASN 97 1HB ASN 97 -12.315 0.685 -6.993 596 1HD2 ASN 97 1HD2 ASN 97 -14.229 3.560 -7.214 597 2HD2 ASN 97 2HD2 ASN 97 -15.162 3.306 -5.818 598 H SER 98 H SER 98 -11.727 4.627 -7.173 599 HA SER 98 HA SER 98 -11.172 6.130 -4.723 600 1HB SER 98 2HB SER 98 -11.239 6.641 -7.411 601 2HB SER 98 1HB SER 98 -12.767 7.346 -6.895 602 HG SER 98 HG SER 98 -10.701 8.645 -6.782 603 H GLY 99 H GLY 99 -12.775 4.855 -3.351 604 1HA GLY 99 2HA GLY 99 -14.967 6.151 -2.483 605 2HA GLY 99 1HA GLY 99 -15.620 5.396 -3.934 606 H LEU 100 H LEU 100 -13.491 3.149 -3.201 607 HA LEU 100 HA LEU 100 -14.829 1.920 -0.868 608 1HB LEU 100 2HB LEU 100 -16.151 1.591 -3.095 609 2HB LEU 100 1HB LEU 100 -14.861 0.456 -3.501 610 HG LEU 100 HG LEU 100 -16.502 0.336 -0.956 611 1HD1 LEU 100 1HD1 LEU 100 -16.734 -1.770 -3.033 612 2HD1 LEU 100 2HD1 LEU 100 -17.473 -0.219 -3.429 613 3HD1 LEU 100 3HD1 LEU 100 -17.972 -1.088 -1.978 614 1HD2 LEU 100 1HD2 LEU 100 -14.438 -1.492 -2.219 615 2HD2 LEU 100 2HD2 LEU 100 -15.485 -1.985 -0.889 616 3HD2 LEU 100 3HD2 LEU 100 -14.328 -0.673 -0.661 617 H ASP 101 H ASP 101 -12.915 1.428 0.203 618 HA ASP 101 HA ASP 101 -10.417 0.780 -0.950 619 1HB ASP 101 2HB ASP 101 -11.047 1.353 1.456 620 2HB ASP 101 1HB ASP 101 -11.559 -0.326 1.629 621 H LEU 102 H LEU 102 -9.492 -1.219 -1.582 622 HA LEU 102 HA LEU 102 -11.435 -3.451 -1.891 623 1HB LEU 102 2HB LEU 102 -10.459 -2.357 -3.910 624 2HB LEU 102 1HB LEU 102 -8.858 -2.838 -3.370 625 HG LEU 102 HG LEU 102 -10.527 -4.312 -5.042 626 1HD1 LEU 102 1HD1 LEU 102 -8.548 -5.309 -5.298 627 2HD1 LEU 102 2HD1 LEU 102 -8.699 -6.067 -3.713 628 3HD1 LEU 102 3HD1 LEU 102 -7.956 -4.475 -3.862 629 1HD2 LEU 102 1HD2 LEU 102 -10.478 -5.735 -2.356 630 2HD2 LEU 102 2HD2 LEU 102 -11.261 -6.272 -3.840 631 3HD2 LEU 102 3HD2 LEU 102 -11.897 -4.883 -2.965 632 H GLY 103 H GLY 103 -7.920 -3.794 -2.121 633 1HA GLY 103 2HA GLY 103 -7.699 -4.988 0.545 634 2HA GLY 103 1HA GLY 103 -7.626 -6.162 -0.770 635 H HIS 104 H HIS 104 -5.392 -6.213 0.560 636 HA HIS 104 HA HIS 104 -3.446 -4.761 -1.164 637 1HB HIS 104 2HB HIS 104 -4.030 -4.348 1.698 638 2HB HIS 104 1HB HIS 104 -2.318 -4.549 1.332 639 HD1 HIS 104 HD1 HIS 104 -5.105 -2.148 1.064 640 HD2 HIS 104 HD2 HIS 104 -1.319 -2.605 -0.620 641 HE1 HIS 104 HE1 HIS 104 -4.522 0.074 -0.008 642 H VAL 105 H VAL 105 -2.542 -6.639 -2.058 643 HA VAL 105 HA VAL 105 -1.967 -8.984 -0.363 644 HB VAL 105 HB VAL 105 -1.680 -8.229 -3.274 645 1HG1 VAL 105 1HG1 VAL 105 -0.747 -10.442 -3.723 646 2HG1 VAL 105 2HG1 VAL 105 -0.771 -10.834 -2.003 647 3HG1 VAL 105 3HG1 VAL 105 0.313 -9.582 -2.611 648 1HG2 VAL 105 1HG2 VAL 105 -3.523 -9.562 -3.573 649 2HG2 VAL 105 2HG2 VAL 105 -3.792 -9.191 -1.870 650 3HG2 VAL 105 3HG2 VAL 105 -3.021 -10.708 -2.331 651 H ALA 106 H ALA 106 0.342 -9.907 -0.485 652 HA ALA 106 HA ALA 106 2.319 -7.658 -0.274 653 1HB ALA 106 1HB ALA 106 1.505 -9.125 1.743 654 2HB ALA 106 2HB ALA 106 3.224 -8.772 1.576 655 3HB ALA 106 3HB ALA 106 2.591 -10.335 1.062 656 H LEU 107 H LEU 107 4.453 -8.069 -1.087 657 HA LEU 107 HA LEU 107 4.720 -10.492 -2.838 658 1HB LEU 107 2HB LEU 107 5.623 -7.655 -3.455 659 2HB LEU 107 1HB LEU 107 5.642 -9.032 -4.556 660 HG LEU 107 HG LEU 107 3.041 -8.227 -3.293 661 1HD1 LEU 107 1HD1 LEU 107 3.955 -6.993 -5.882 662 2HD1 LEU 107 2HD1 LEU 107 4.307 -6.202 -4.345 663 3HD1 LEU 107 3HD1 LEU 107 2.634 -6.494 -4.825 664 1HD2 LEU 107 1HD2 LEU 107 2.877 -10.196 -4.579 665 2HD2 LEU 107 2HD2 LEU 107 3.986 -9.593 -5.809 666 3HD2 LEU 107 3HD2 LEU 107 2.351 -8.941 -5.700 667 H THR 108 H THR 108 6.980 -11.166 -3.148 668 HA THR 108 HA THR 108 9.012 -9.852 -1.409 669 HB THR 108 HB THR 108 8.989 -12.777 -1.200 670 HG1 THR 108 HG1 THR 108 6.875 -11.370 0.030 671 1HG2 THR 108 1HG2 THR 108 10.147 -10.856 0.201 672 2HG2 THR 108 2HG2 THR 108 9.611 -12.340 0.988 673 3HG2 THR 108 3HG2 THR 108 8.621 -10.882 1.086 674 H PHE 109 H PHE 109 10.576 -9.433 -2.918 675 HA PHE 109 HA PHE 109 11.044 -11.247 -5.192 676 1HB PHE 109 2HB PHE 109 12.136 -8.611 -4.204 677 2HB PHE 109 1HB PHE 109 12.830 -9.432 -5.603 678 HD1 PHE 109 HD1 PHE 109 9.654 -8.032 -4.224 679 HD2 PHE 109 HD2 PHE 109 11.775 -9.364 -7.718 680 HE1 PHE 109 HE1 PHE 109 7.854 -7.125 -5.677 681 HE2 PHE 109 HE2 PHE 109 9.981 -8.460 -9.161 682 HZ PHE 109 HZ PHE 109 8.014 -7.342 -8.146 683 H GLY 110 H GLY 110 11.713 -13.067 -3.625 684 1HA GLY 110 2HA GLY 110 13.417 -14.384 -2.694 685 2HA GLY 110 1HA GLY 110 14.533 -13.410 -3.650 686 2H2' ROM 111 2H2' ROM 111 -10.238 5.829 -8.794 687 2H3' ROM 111 2H3' ROM 111 -6.983 5.645 -10.899 688 H'1 ROM 111 H'1 ROM 111 -4.075 4.886 -9.657 689 3H18 ROM 111 3H18 ROM 111 -6.150 2.807 0.730 690 2H18 ROM 111 2H18 ROM 111 -4.560 2.557 1.269 691 2H23 ROM 111 2H23 ROM 111 -7.128 8.324 -2.047 692 H1' ROM 111 H1' ROM 111 -7.303 6.897 -7.823 693 H2' ROM 111 H2' ROM 111 -9.714 7.815 -9.375 694 H3' ROM 111 H3' ROM 111 -8.412 7.105 -11.303 695 H4' ROM 111 H4' ROM 111 -8.046 9.406 -10.681 696 1H6B ROM 111 1H6B ROM 111 -5.325 10.667 -9.168 697 3H6B ROM 111 3H6B ROM 111 -6.942 11.088 -9.730 698 2H6B ROM 111 2H6B ROM 111 -6.606 11.000 -8.002 699 1H6A ROM 111 1H6A ROM 111 -5.732 7.220 -8.742 700 3H6A ROM 111 3H6A ROM 111 -4.722 8.540 -9.321 701 2H6A ROM 111 2H6A ROM 111 -5.206 8.478 -7.627 702 1H4B ROM 111 1H4B ROM 111 -7.557 8.320 -12.884 703 3H4B ROM 111 3H4B ROM 111 -5.868 8.430 -13.408 704 2H4B ROM 111 2H4B ROM 111 -6.409 7.043 -12.445 705 1H4A ROM 111 1H4A ROM 111 -5.158 10.580 -11.027 706 3H4A ROM 111 3H4A ROM 111 -5.586 10.294 -12.723 707 2H4A ROM 111 2H4A ROM 111 -6.834 10.789 -11.567 708 H'8 ROM 111 H'8 ROM 111 -0.134 5.064 -7.198 709 H'6 ROM 111 H'6 ROM 111 0.645 7.213 -10.804 710 1H3A ROM 111 1H3A ROM 111 -4.432 6.938 -13.753 711 2H3A ROM 111 2H3A ROM 111 -2.731 7.573 -14.111 712 1H7A ROM 111 1H7A ROM 111 1.073 8.345 -8.345 713 3H7A ROM 111 3H7A ROM 111 2.764 8.050 -7.960 714 2H7A ROM 111 2H7A ROM 111 2.231 8.028 -9.634 715 H3 ROM 111 H3 ROM 111 -4.269 6.290 -6.092 716 H6 ROM 111 H6 ROM 111 -7.735 3.230 -4.356 717 H5 ROM 111 H5 ROM 111 -5.443 2.364 -4.767 718 H12 ROM 111 H12 ROM 111 -5.278 8.736 -5.431 719 H8 ROM 111 H8 ROM 111 -9.377 5.380 -5.318 720 H13 ROM 111 H13 ROM 111 -3.289 2.788 -6.073 721 H10 ROM 111 H10 ROM 111 -9.363 8.869 -4.317 722 H11 ROM 111 H11 ROM 111 -7.098 10.188 -4.330 723 2H14 ROM 111 2H14 ROM 111 -1.772 2.934 -4.323 724 1H14 ROM 111 1H14 ROM 111 -2.060 4.661 -4.082 725 2H17 ROM 111 2H17 ROM 111 -4.499 2.314 -1.361 726 1H17 ROM 111 1H17 ROM 111 -3.159 2.623 -0.258 727 H18 ROM 111 H18 ROM 111 -4.141 4.876 0.218 728 H20 ROM 111 H20 ROM 111 -6.998 2.829 -0.930 729 H24 ROM 111 H24 ROM 111 -4.963 6.559 -1.231 730 4H18 ROM 111 4H18 ROM 111 -5.437 3.906 1.810 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -17.822 -7.772 3.092 2 2H ALA 1 2H ALA 1 -17.171 -6.942 4.421 3 3H ALA 1 3H ALA 1 -16.506 -8.428 3.940 4 HA ALA 1 HA ALA 1 -16.479 -5.965 2.269 5 1HB ALA 1 1HB ALA 1 -14.144 -5.812 3.020 6 2HB ALA 1 2HB ALA 1 -14.347 -7.275 3.984 7 3HB ALA 1 3HB ALA 1 -15.225 -5.806 4.414 8 HA PRO 2 HA PRO 2 -15.328 -8.796 -0.883 9 1HB PRO 2 2HB PRO 2 -13.806 -7.163 -2.465 10 2HB PRO 2 1HB PRO 2 -15.576 -7.054 -2.377 11 1HG PRO 2 2HG PRO 2 -13.508 -5.359 -1.069 12 2HG PRO 2 1HG PRO 2 -15.075 -4.903 -1.758 13 1HD PRO 2 2HD PRO 2 -14.621 -5.201 0.930 14 2HD PRO 2 1HD PRO 2 -16.212 -5.406 0.163 15 H ALA 3 H ALA 3 -13.476 -10.035 -1.624 16 HA ALA 3 HA ALA 3 -11.068 -9.720 0.115 17 1HB ALA 3 1HB ALA 3 -10.784 -12.165 -0.778 18 2HB ALA 3 2HB ALA 3 -12.467 -11.991 -1.278 19 3HB ALA 3 3HB ALA 3 -12.032 -11.839 0.425 20 H PHE 4 H PHE 4 -9.078 -10.824 -1.128 21 HA PHE 4 HA PHE 4 -8.899 -10.350 -3.999 22 1HB PHE 4 2HB PHE 4 -8.939 -8.042 -3.179 23 2HB PHE 4 1HB PHE 4 -7.672 -8.410 -2.009 24 HD1 PHE 4 HD1 PHE 4 -5.440 -9.373 -2.982 25 HD2 PHE 4 HD2 PHE 4 -8.351 -7.219 -5.292 26 HE1 PHE 4 HE1 PHE 4 -3.710 -8.858 -4.681 27 HE2 PHE 4 HE2 PHE 4 -6.621 -6.704 -6.994 28 HZ PHE 4 HZ PHE 4 -4.298 -7.522 -6.689 29 H SER 5 H SER 5 -7.424 -11.932 -4.597 30 HA SER 5 HA SER 5 -4.993 -12.295 -2.893 31 1HB SER 5 2HB SER 5 -7.282 -14.056 -3.155 32 2HB SER 5 1HB SER 5 -5.809 -14.867 -3.683 33 HG SER 5 HG SER 5 -6.565 -13.949 -1.177 34 H VAL 6 H VAL 6 -3.244 -13.354 -4.003 35 HA VAL 6 HA VAL 6 -3.482 -13.387 -6.997 36 HB VAL 6 HB VAL 6 -2.220 -11.475 -6.068 37 1HG1 VAL 6 1HG1 VAL 6 -0.698 -13.691 -4.684 38 2HG1 VAL 6 2HG1 VAL 6 -1.523 -12.318 -3.945 39 3HG1 VAL 6 3HG1 VAL 6 -0.042 -12.065 -4.871 40 1HG2 VAL 6 1HG2 VAL 6 0.145 -12.806 -6.967 41 2HG2 VAL 6 2HG2 VAL 6 -0.891 -11.704 -7.876 42 3HG2 VAL 6 3HG2 VAL 6 -1.214 -13.438 -7.897 43 H SER 7 H SER 7 -2.266 -15.123 -8.027 44 HA SER 7 HA SER 7 -2.106 -17.578 -6.602 45 1HB SER 7 2HB SER 7 -1.235 -16.480 -9.222 46 2HB SER 7 1HB SER 7 -0.476 -17.985 -8.714 47 HG SER 7 HG SER 7 -2.265 -18.917 -9.276 48 HA PRO 8 HA PRO 8 2.559 -17.138 -6.052 49 1HB PRO 8 2HB PRO 8 3.973 -15.207 -7.348 50 2HB PRO 8 1HB PRO 8 3.577 -16.765 -8.102 51 1HG PRO 8 2HG PRO 8 2.300 -14.109 -8.476 52 2HG PRO 8 1HG PRO 8 2.615 -15.385 -9.659 53 1HD PRO 8 2HD PRO 8 0.162 -14.913 -8.513 54 2HD PRO 8 1HD PRO 8 0.680 -16.476 -9.179 55 H ALA 9 H ALA 9 4.166 -15.490 -4.931 56 HA ALA 9 HA ALA 9 3.315 -12.842 -4.227 57 1HB ALA 9 1HB ALA 9 2.558 -15.066 -2.306 58 2HB ALA 9 2HB ALA 9 1.430 -14.096 -3.248 59 3HB ALA 9 3HB ALA 9 2.393 -13.344 -1.979 60 H SER 10 H SER 10 5.758 -14.549 -4.702 61 HA SER 10 HA SER 10 7.508 -13.342 -2.736 62 1HB SER 10 2HB SER 10 7.368 -14.916 -1.119 63 2HB SER 10 1HB SER 10 6.176 -15.794 -2.073 64 HG SER 10 HG SER 10 8.104 -17.006 -1.600 65 H GLY 11 H GLY 11 9.812 -14.008 -3.146 66 1HA GLY 11 2HA GLY 11 11.518 -14.291 -4.767 67 2HA GLY 11 1HA GLY 11 10.758 -15.867 -4.975 68 H LEU 12 H LEU 12 9.307 -12.714 -5.699 69 HA LEU 12 HA LEU 12 8.448 -13.607 -8.326 70 1HB LEU 12 2HB LEU 12 8.529 -10.872 -7.017 71 2HB LEU 12 1HB LEU 12 7.582 -11.295 -8.444 72 HG LEU 12 HG LEU 12 7.276 -12.432 -5.655 73 1HD1 LEU 12 1HD1 LEU 12 6.271 -10.161 -6.255 74 2HD1 LEU 12 2HD1 LEU 12 5.130 -11.377 -5.679 75 3HD1 LEU 12 3HD1 LEU 12 5.247 -11.023 -7.403 76 1HD2 LEU 12 1HD2 LEU 12 6.385 -13.391 -8.334 77 2HD2 LEU 12 2HD2 LEU 12 5.210 -13.478 -7.022 78 3HD2 LEU 12 3HD2 LEU 12 6.757 -14.313 -6.878 79 H SER 13 H SER 13 8.886 -11.319 -9.893 80 HA SER 13 HA SER 13 11.777 -10.767 -10.036 81 1HB SER 13 2HB SER 13 11.542 -13.020 -11.015 82 2HB SER 13 1HB SER 13 10.310 -12.420 -12.122 83 HG SER 13 HG SER 13 12.901 -12.444 -12.485 84 H ASP 14 H ASP 14 12.227 -9.065 -11.605 85 HA ASP 14 HA ASP 14 10.166 -7.117 -11.944 86 1HB ASP 14 2HB ASP 14 12.570 -6.628 -11.886 87 2HB ASP 14 1HB ASP 14 12.804 -7.538 -13.378 88 H GLY 15 H GLY 15 8.608 -6.924 -13.495 89 1HA GLY 15 2HA GLY 15 7.674 -7.081 -15.686 90 2HA GLY 15 1HA GLY 15 9.015 -8.129 -16.150 91 H GLN 16 H GLN 16 8.614 -9.797 -13.704 92 HA GLN 16 HA GLN 16 7.131 -11.931 -14.716 93 1HB GLN 16 2HB GLN 16 8.647 -11.778 -12.680 94 2HB GLN 16 1HB GLN 16 7.273 -11.100 -11.807 95 1HG GLN 16 2HG GLN 16 6.394 -13.448 -13.193 96 2HG GLN 16 1HG GLN 16 7.852 -13.846 -12.284 97 1HE2 GLN 16 1HE2 GLN 16 5.595 -15.037 -11.325 98 2HE2 GLN 16 2HE2 GLN 16 5.045 -14.270 -9.918 99 H SER 17 H SER 17 4.956 -12.377 -14.902 100 HA SER 17 HA SER 17 3.038 -10.337 -13.838 101 1HB SER 17 2HB SER 17 2.616 -10.373 -16.084 102 2HB SER 17 1HB SER 17 3.340 -11.963 -16.294 103 HG SER 17 HG SER 17 1.165 -12.208 -16.589 104 H VAL 18 H VAL 18 1.817 -11.022 -12.133 105 HA VAL 18 HA VAL 18 1.628 -13.937 -11.562 106 HB VAL 18 HB VAL 18 0.965 -13.122 -9.331 107 1HG1 VAL 18 1HG1 VAL 18 3.231 -11.333 -10.187 108 2HG1 VAL 18 2HG1 VAL 18 3.425 -13.085 -10.243 109 3HG1 VAL 18 3HG1 VAL 18 3.067 -12.286 -8.711 110 1HG2 VAL 18 1HG2 VAL 18 -0.232 -11.078 -10.444 111 2HG2 VAL 18 2HG2 VAL 18 1.346 -10.299 -10.318 112 3HG2 VAL 18 3HG2 VAL 18 0.518 -10.860 -8.864 113 H SER 19 H SER 19 -0.508 -14.846 -11.047 114 HA SER 19 HA SER 19 -2.664 -13.644 -12.690 115 1HB SER 19 2HB SER 19 -2.294 -16.269 -11.224 116 2HB SER 19 1HB SER 19 -3.734 -15.876 -12.157 117 HG SER 19 HG SER 19 -1.691 -16.997 -13.125 118 H VAL 20 H VAL 20 -3.658 -11.991 -11.509 119 HA VAL 20 HA VAL 20 -4.216 -12.365 -8.630 120 HB VAL 20 HB VAL 20 -4.705 -10.126 -10.615 121 1HG1 VAL 20 1HG1 VAL 20 -6.329 -9.864 -8.881 122 2HG1 VAL 20 2HG1 VAL 20 -5.002 -8.782 -8.456 123 3HG1 VAL 20 3HG1 VAL 20 -5.177 -10.333 -7.631 124 1HG2 VAL 20 1HG2 VAL 20 -2.584 -10.700 -8.539 125 2HG2 VAL 20 2HG2 VAL 20 -2.874 -9.070 -9.147 126 3HG2 VAL 20 3HG2 VAL 20 -2.366 -10.346 -10.253 127 H SER 21 H SER 21 -6.465 -11.750 -7.894 128 HA SER 21 HA SER 21 -8.710 -12.126 -9.725 129 1HB SER 21 2HB SER 21 -9.253 -14.332 -9.208 130 2HB SER 21 1HB SER 21 -7.493 -14.418 -9.183 131 HG SER 21 HG SER 21 -9.051 -15.102 -7.264 132 H VAL 22 H VAL 22 -10.085 -10.657 -8.820 133 HA VAL 22 HA VAL 22 -10.140 -10.373 -5.861 134 HB VAL 22 HB VAL 22 -11.271 -8.608 -8.048 135 1HG1 VAL 22 1HG1 VAL 22 -10.484 -7.184 -5.733 136 2HG1 VAL 22 2HG1 VAL 22 -11.403 -8.580 -5.175 137 3HG1 VAL 22 3HG1 VAL 22 -12.124 -7.451 -6.322 138 1HG2 VAL 22 1HG2 VAL 22 -8.532 -8.909 -6.905 139 2HG2 VAL 22 2HG2 VAL 22 -9.107 -7.267 -7.199 140 3HG2 VAL 22 3HG2 VAL 22 -9.022 -8.424 -8.527 141 H SER 23 H SER 23 -12.125 -10.538 -4.749 142 HA SER 23 HA SER 23 -14.547 -11.270 -6.319 143 1HB SER 23 2HB SER 23 -14.508 -13.034 -4.168 144 2HB SER 23 1HB SER 23 -14.117 -13.441 -5.835 145 HG SER 23 HG SER 23 -12.513 -13.765 -3.953 146 H GLY 24 H GLY 24 -16.478 -11.425 -4.733 147 1HA GLY 24 2HA GLY 24 -17.696 -10.604 -2.872 148 2HA GLY 24 1HA GLY 24 -16.186 -9.997 -2.195 149 H ALA 25 H ALA 25 -15.979 -8.826 -5.181 150 HA ALA 25 HA ALA 25 -16.789 -6.145 -4.410 151 1HB ALA 25 1HB ALA 25 -16.043 -7.238 -7.138 152 2HB ALA 25 2HB ALA 25 -14.855 -6.853 -5.894 153 3HB ALA 25 3HB ALA 25 -15.867 -5.577 -6.572 154 H ALA 26 H ALA 26 -17.717 -5.917 -7.445 155 HA ALA 26 HA ALA 26 -20.313 -7.216 -7.478 156 1HB ALA 26 1HB ALA 26 -21.424 -5.734 -6.200 157 2HB ALA 26 2HB ALA 26 -21.004 -4.461 -7.346 158 3HB ALA 26 3HB ALA 26 -19.946 -4.800 -5.978 159 H ALA 27 H ALA 27 -20.919 -7.333 -9.568 160 HA ALA 27 HA ALA 27 -19.470 -6.335 -11.746 161 1HB ALA 27 1HB ALA 27 -21.314 -7.143 -13.015 162 2HB ALA 27 2HB ALA 27 -22.456 -6.780 -11.722 163 3HB ALA 27 3HB ALA 27 -21.322 -8.118 -11.546 164 H GLY 28 H GLY 28 -19.406 -4.378 -12.755 165 1HA GLY 28 2HA GLY 28 -20.454 -2.349 -13.580 166 2HA GLY 28 1HA GLY 28 -21.569 -2.426 -12.220 167 H GLU 29 H GLU 29 -18.151 -3.005 -11.734 168 HA GLU 29 HA GLU 29 -17.835 -0.223 -10.667 169 1HB GLU 29 2HB GLU 29 -17.683 -2.855 -9.242 170 2HB GLU 29 1HB GLU 29 -16.665 -1.524 -8.695 171 1HG GLU 29 2HG GLU 29 -19.609 -1.099 -9.175 172 2HG GLU 29 1HG GLU 29 -19.037 -1.772 -7.649 173 H THR 30 H THR 30 -15.704 0.541 -10.740 174 HA THR 30 HA THR 30 -13.698 -1.267 -12.052 175 HB THR 30 HB THR 30 -13.643 1.726 -12.264 176 HG1 THR 30 HG1 THR 30 -15.135 1.640 -13.919 177 1HG2 THR 30 1HG2 THR 30 -11.837 0.356 -13.234 178 2HG2 THR 30 2HG2 THR 30 -12.751 1.184 -14.494 179 3HG2 THR 30 3HG2 THR 30 -13.024 -0.530 -14.188 180 H TYR 31 H TYR 31 -12.011 -1.695 -10.682 181 HA TYR 31 HA TYR 31 -11.472 0.213 -8.451 182 1HB TYR 31 2HB TYR 31 -10.605 -2.653 -8.920 183 2HB TYR 31 1HB TYR 31 -10.398 -1.738 -7.426 184 HD1 TYR 31 HD1 TYR 31 -12.170 -4.340 -8.415 185 HD2 TYR 31 HD2 TYR 31 -12.935 -0.291 -7.209 186 HE1 TYR 31 HE1 TYR 31 -14.455 -4.986 -7.700 187 HE2 TYR 31 HE2 TYR 31 -15.217 -0.933 -6.493 188 HH TYR 31 HH TYR 31 -16.685 -3.798 -7.388 189 H TYR 32 H TYR 32 -9.304 0.877 -8.043 190 HA TYR 32 HA TYR 32 -7.547 0.806 -10.458 191 1HB TYR 32 2HB TYR 32 -7.958 2.636 -8.088 192 2HB TYR 32 1HB TYR 32 -6.479 2.737 -9.040 193 HD1 TYR 32 HD1 TYR 32 -6.517 4.458 -10.591 194 HD2 TYR 32 HD2 TYR 32 -10.129 2.263 -9.825 195 HE1 TYR 32 HE1 TYR 32 -7.703 5.821 -12.289 196 HE2 TYR 32 HE2 TYR 32 -11.316 3.627 -11.526 197 HH TYR 32 HH TYR 32 -11.047 5.913 -12.565 198 H ILE 33 H ILE 33 -5.932 -0.721 -10.295 199 HA ILE 33 HA ILE 33 -4.888 -1.392 -7.568 200 HB ILE 33 HB ILE 33 -5.884 -3.245 -8.777 201 1HG1 ILE 33 2HG1 ILE 33 -2.887 -3.500 -9.149 202 2HG1 ILE 33 1HG1 ILE 33 -3.656 -3.562 -7.562 203 1HG2 ILE 33 1HG2 ILE 33 -4.438 -1.980 -11.026 204 2HG2 ILE 33 2HG2 ILE 33 -5.947 -2.889 -11.028 205 3HG2 ILE 33 3HG2 ILE 33 -4.404 -3.743 -11.017 206 1HD1 ILE 33 1HD1 ILE 33 -3.344 -5.698 -9.373 207 2HD1 ILE 33 2HD1 ILE 33 -5.056 -5.281 -9.422 208 3HD1 ILE 33 3HD1 ILE 33 -4.294 -5.699 -7.887 209 H ALA 34 H ALA 34 -2.609 -1.425 -7.251 210 HA ALA 34 HA ALA 34 -0.751 -0.833 -9.423 211 1HB ALA 34 1HB ALA 34 -0.260 1.381 -7.864 212 2HB ALA 34 2HB ALA 34 -2.018 1.266 -7.784 213 3HB ALA 34 3HB ALA 34 -1.213 1.399 -9.348 214 H GLN 35 H GLN 35 1.479 -0.828 -8.638 215 HA GLN 35 HA GLN 35 1.784 -2.359 -6.123 216 1HB GLN 35 2HB GLN 35 2.856 -3.071 -8.234 217 2HB GLN 35 1HB GLN 35 3.730 -1.539 -8.303 218 1HG GLN 35 2HG GLN 35 4.685 -2.119 -6.013 219 2HG GLN 35 1HG GLN 35 4.016 -3.735 -6.242 220 1HE2 GLN 35 1HE2 GLN 35 6.030 -4.852 -6.512 221 2HE2 GLN 35 2HE2 GLN 35 7.070 -4.562 -7.822 222 H CYS 36 H CYS 36 2.648 -1.481 -4.277 223 HA CYS 36 HA CYS 36 3.988 1.188 -4.460 224 1HB CYS 36 2HB CYS 36 1.757 0.320 -2.596 225 2HB CYS 36 1HB CYS 36 2.625 1.851 -2.471 226 H ALA 37 H ALA 37 4.851 1.675 -2.072 227 HA ALA 37 HA ALA 37 5.629 -0.655 -0.496 228 1HB ALA 37 1HB ALA 37 7.633 0.770 -2.277 229 2HB ALA 37 2HB ALA 37 7.075 -0.892 -2.469 230 3HB ALA 37 3HB ALA 37 8.048 -0.444 -1.068 231 HA PRO 38 HA PRO 38 5.754 3.010 2.062 232 1HB PRO 38 2HB PRO 38 5.808 1.689 4.451 233 2HB PRO 38 1HB PRO 38 4.324 1.938 3.512 234 1HG PRO 38 2HG PRO 38 6.019 -0.491 3.756 235 2HG PRO 38 1HG PRO 38 4.260 -0.351 3.610 236 1HD PRO 38 2HD PRO 38 5.940 -1.032 1.537 237 2HD PRO 38 1HD PRO 38 4.331 -0.306 1.328 238 H VAL 39 H VAL 39 7.318 3.835 3.697 239 HA VAL 39 HA VAL 39 9.902 2.362 3.813 240 HB VAL 39 HB VAL 39 9.943 3.820 1.830 241 1HG1 VAL 39 1HG1 VAL 39 9.003 5.842 3.852 242 2HG1 VAL 39 2HG1 VAL 39 8.345 5.490 2.254 243 3HG1 VAL 39 3HG1 VAL 39 9.870 6.362 2.409 244 1HG2 VAL 39 1HG2 VAL 39 12.096 4.296 2.305 245 2HG2 VAL 39 2HG2 VAL 39 11.767 3.875 3.986 246 3HG2 VAL 39 3HG2 VAL 39 11.608 5.547 3.448 247 H GLY 40 H GLY 40 8.390 2.436 5.985 248 1HA GLY 40 2HA GLY 40 8.052 3.356 8.148 249 2HA GLY 40 1HA GLY 40 9.807 3.502 8.071 250 H GLY 41 H GLY 41 7.143 5.259 6.441 251 1HA GLY 41 2HA GLY 41 7.297 7.668 7.861 252 2HA GLY 41 1HA GLY 41 8.538 7.777 6.612 253 H GLN 42 H GLN 42 7.650 7.009 4.349 254 HA GLN 42 HA GLN 42 4.891 8.134 3.982 255 1HB GLN 42 2HB GLN 42 7.203 8.416 2.055 256 2HB GLN 42 1HB GLN 42 5.708 9.350 2.100 257 1HG GLN 42 2HG GLN 42 6.576 9.940 4.553 258 2HG GLN 42 1HG GLN 42 8.141 9.583 3.821 259 1HE2 GLN 42 1HE2 GLN 42 5.225 11.128 2.371 260 2HE2 GLN 42 2HE2 GLN 42 6.021 12.560 1.930 261 H ASP 43 H ASP 43 3.912 7.396 1.850 262 HA ASP 43 HA ASP 43 4.636 4.537 1.339 263 1HB ASP 43 2HB ASP 43 2.352 5.251 2.201 264 2HB ASP 43 1HB ASP 43 2.102 6.051 0.649 265 H ALA 44 H ALA 44 6.028 4.482 -0.413 266 HA ALA 44 HA ALA 44 5.710 6.393 -2.644 267 1HB ALA 44 1HB ALA 44 7.776 4.901 -1.398 268 2HB ALA 44 2HB ALA 44 7.933 6.024 -2.749 269 3HB ALA 44 3HB ALA 44 7.657 4.308 -3.054 270 H CYS 45 H CYS 45 4.092 5.856 -4.087 271 HA CYS 45 HA CYS 45 3.543 2.998 -4.694 272 1HB CYS 45 2HB CYS 45 2.175 5.637 -4.939 273 2HB CYS 45 1HB CYS 45 1.737 4.401 -6.118 274 H ASN 46 H ASN 46 2.905 2.802 -7.231 275 HA ASN 46 HA ASN 46 5.225 3.941 -8.767 276 1HB ASN 46 2HB ASN 46 4.730 1.355 -8.144 277 2HB ASN 46 1HB ASN 46 3.831 1.473 -9.657 278 1HD2 ASN 46 1HD2 ASN 46 5.462 3.272 -11.111 279 2HD2 ASN 46 2HD2 ASN 46 6.979 2.559 -11.376 280 HA PRO 47 HA PRO 47 1.768 5.780 -10.996 281 1HB PRO 47 2HB PRO 47 3.303 7.509 -12.455 282 2HB PRO 47 1HB PRO 47 2.829 7.823 -10.772 283 1HG PRO 47 2HG PRO 47 5.413 6.808 -11.853 284 2HG PRO 47 1HG PRO 47 5.112 7.936 -10.521 285 1HD PRO 47 2HD PRO 47 5.744 5.302 -10.152 286 2HD PRO 47 1HD PRO 47 4.786 6.255 -8.997 287 H ALA 48 H ALA 48 4.786 4.531 -12.350 288 HA ALA 48 HA ALA 48 4.031 4.415 -15.101 289 1HB ALA 48 1HB ALA 48 5.844 2.662 -15.142 290 2HB ALA 48 2HB ALA 48 5.874 2.737 -13.380 291 3HB ALA 48 3HB ALA 48 6.317 4.155 -14.332 292 H THR 49 H THR 49 3.680 2.030 -12.479 293 HA THR 49 HA THR 49 2.137 0.244 -14.285 294 HB THR 49 HB THR 49 2.282 -1.176 -12.120 295 HG1 THR 49 HG1 THR 49 4.473 -0.111 -11.217 296 1HG2 THR 49 1HG2 THR 49 4.340 -0.457 -14.107 297 2HG2 THR 49 2HG2 THR 49 3.718 -2.044 -13.655 298 3HG2 THR 49 3HG2 THR 49 4.953 -1.267 -12.665 299 H ALA 50 H ALA 50 0.359 1.972 -14.285 300 HA ALA 50 HA ALA 50 -1.385 1.646 -11.863 301 1HB ALA 50 1HB ALA 50 -1.717 3.995 -13.649 302 2HB ALA 50 2HB ALA 50 -0.204 3.936 -12.745 303 3HB ALA 50 3HB ALA 50 -1.744 3.914 -11.887 304 H THR 51 H THR 51 -2.672 -0.054 -12.719 305 HA THR 51 HA THR 51 -4.144 0.594 -15.254 306 HB THR 51 HB THR 51 -2.628 -1.287 -15.510 307 HG1 THR 51 HG1 THR 51 -5.352 -1.662 -15.458 308 1HG2 THR 51 1HG2 THR 51 -3.835 -2.131 -12.890 309 2HG2 THR 51 2HG2 THR 51 -2.134 -2.009 -13.338 310 3HG2 THR 51 3HG2 THR 51 -3.120 -3.329 -13.967 311 H SER 52 H SER 52 -6.364 0.651 -15.095 312 HA SER 52 HA SER 52 -7.594 -0.122 -12.477 313 1HB SER 52 2HB SER 52 -9.450 1.396 -13.546 314 2HB SER 52 1HB SER 52 -7.996 2.155 -12.905 315 HG SER 52 HG SER 52 -8.592 2.826 -15.064 316 H PHE 53 H PHE 53 -9.093 -1.788 -12.470 317 HA PHE 53 HA PHE 53 -10.031 -2.800 -15.152 318 1HB PHE 53 2HB PHE 53 -9.824 -5.046 -14.207 319 2HB PHE 53 1HB PHE 53 -8.296 -4.186 -14.018 320 HD1 PHE 53 HD1 PHE 53 -11.391 -5.250 -12.258 321 HD2 PHE 53 HD2 PHE 53 -7.431 -3.639 -11.863 322 HE1 PHE 53 HE1 PHE 53 -11.505 -5.570 -9.800 323 HE2 PHE 53 HE2 PHE 53 -7.543 -3.959 -9.407 324 HZ PHE 53 HZ PHE 53 -9.581 -4.924 -8.375 325 H THR 54 H THR 54 -11.944 -4.500 -14.598 326 HA THR 54 HA THR 54 -13.810 -3.216 -12.633 327 HB THR 54 HB THR 54 -14.340 -4.070 -15.496 328 HG1 THR 54 HG1 THR 54 -13.279 -2.102 -15.362 329 1HG2 THR 54 1HG2 THR 54 -16.094 -3.702 -13.229 330 2HG2 THR 54 2HG2 THR 54 -16.484 -4.256 -14.854 331 3HG2 THR 54 3HG2 THR 54 -16.463 -2.531 -14.490 332 H THR 55 H THR 55 -15.453 -4.702 -11.812 333 HA THR 55 HA THR 55 -14.551 -7.460 -11.559 334 HB THR 55 HB THR 55 -16.904 -7.530 -10.389 335 HG1 THR 55 HG1 THR 55 -17.970 -5.768 -10.787 336 1HG2 THR 55 1HG2 THR 55 -15.055 -7.504 -8.963 337 2HG2 THR 55 2HG2 THR 55 -15.869 -6.001 -8.530 338 3HG2 THR 55 3HG2 THR 55 -14.463 -5.966 -9.591 339 H ASP 56 H ASP 56 -16.523 -9.133 -11.770 340 HA ASP 56 HA ASP 56 -17.394 -8.972 -14.623 341 1HB ASP 56 2HB ASP 56 -16.038 -10.882 -13.183 342 2HB ASP 56 1HB ASP 56 -17.694 -11.486 -13.111 343 H ALA 57 H ALA 57 -19.456 -10.917 -14.421 344 HA ALA 57 HA ALA 57 -21.681 -9.298 -13.620 345 1HB ALA 57 1HB ALA 57 -22.751 -11.735 -13.801 346 2HB ALA 57 2HB ALA 57 -21.175 -12.107 -14.496 347 3HB ALA 57 3HB ALA 57 -22.199 -10.875 -15.238 348 H SER 58 H SER 58 -20.047 -12.036 -12.055 349 HA SER 58 HA SER 58 -21.839 -11.943 -9.734 350 1HB SER 58 2HB SER 58 -19.908 -13.598 -8.973 351 2HB SER 58 1HB SER 58 -21.070 -14.092 -10.199 352 HG SER 58 HG SER 58 -18.405 -13.209 -10.490 353 H GLY 59 H GLY 59 -19.626 -9.790 -10.699 354 1HA GLY 59 2HA GLY 59 -18.530 -8.085 -9.494 355 2HA GLY 59 1HA GLY 59 -19.130 -8.816 -8.004 356 H ALA 60 H ALA 60 -17.542 -11.023 -10.061 357 HA ALA 60 HA ALA 60 -15.134 -10.926 -8.280 358 1HB ALA 60 1HB ALA 60 -14.988 -13.354 -9.279 359 2HB ALA 60 2HB ALA 60 -16.673 -13.070 -9.714 360 3HB ALA 60 3HB ALA 60 -16.176 -13.006 -8.023 361 H ALA 61 H ALA 61 -13.408 -10.002 -9.297 362 HA ALA 61 HA ALA 61 -13.227 -10.122 -12.262 363 1HB ALA 61 1HB ALA 61 -11.300 -8.628 -10.539 364 2HB ALA 61 2HB ALA 61 -12.973 -8.070 -10.558 365 3HB ALA 61 3HB ALA 61 -12.050 -8.143 -12.059 366 H SER 62 H SER 62 -10.900 -10.360 -13.082 367 HA SER 62 HA SER 62 -8.928 -11.791 -11.542 368 1HB SER 62 2HB SER 62 -9.321 -13.995 -12.725 369 2HB SER 62 1HB SER 62 -10.577 -13.556 -11.572 370 HG SER 62 HG SER 62 -11.333 -14.266 -13.680 371 H PHE 63 H PHE 63 -6.995 -11.644 -12.680 372 HA PHE 63 HA PHE 63 -6.848 -11.792 -15.569 373 1HB PHE 63 2HB PHE 63 -6.331 -9.358 -15.884 374 2HB PHE 63 1HB PHE 63 -7.987 -9.647 -15.351 375 HD1 PHE 63 HD1 PHE 63 -4.807 -8.125 -14.543 376 HD2 PHE 63 HD2 PHE 63 -8.561 -9.392 -12.893 377 HE1 PHE 63 HE1 PHE 63 -4.399 -6.731 -12.535 378 HE2 PHE 63 HE2 PHE 63 -8.154 -8.009 -10.888 379 HZ PHE 63 HZ PHE 63 -6.074 -6.676 -10.706 380 H SER 64 H SER 64 -4.588 -10.799 -16.265 381 HA SER 64 HA SER 64 -2.592 -11.799 -14.296 382 1HB SER 64 2HB SER 64 -1.136 -11.708 -16.366 383 2HB SER 64 1HB SER 64 -2.540 -12.762 -16.510 384 HG SER 64 HG SER 64 -1.880 -10.682 -18.013 385 H PHE 65 H PHE 65 -1.546 -10.286 -13.067 386 HA PHE 65 HA PHE 65 -1.361 -7.484 -14.056 387 1HB PHE 65 2HB PHE 65 -2.531 -7.715 -11.973 388 2HB PHE 65 1HB PHE 65 -1.293 -8.796 -11.334 389 HD1 PHE 65 HD1 PHE 65 0.528 -7.941 -10.127 390 HD2 PHE 65 HD2 PHE 65 -1.805 -5.312 -12.596 391 HE1 PHE 65 HE1 PHE 65 1.771 -5.999 -9.231 392 HE2 PHE 65 HE2 PHE 65 -0.560 -3.367 -11.697 393 HZ PHE 65 HZ PHE 65 1.229 -3.710 -10.011 394 H VAL 66 H VAL 66 0.706 -6.412 -13.936 395 HA VAL 66 HA VAL 66 3.026 -8.301 -13.895 396 HB VAL 66 HB VAL 66 3.114 -5.444 -14.833 397 1HG1 VAL 66 1HG1 VAL 66 4.327 -7.466 -16.517 398 2HG1 VAL 66 2HG1 VAL 66 4.867 -7.646 -14.846 399 3HG1 VAL 66 3HG1 VAL 66 5.089 -6.110 -15.686 400 1HG2 VAL 66 1HG2 VAL 66 2.302 -6.158 -17.055 401 2HG2 VAL 66 2HG2 VAL 66 1.056 -6.407 -15.833 402 3HG2 VAL 66 3HG2 VAL 66 1.994 -7.776 -16.429 403 H VAL 67 H VAL 67 4.982 -7.622 -12.759 404 HA VAL 67 HA VAL 67 4.485 -5.605 -10.589 405 HB VAL 67 HB VAL 67 5.910 -7.174 -9.194 406 1HG1 VAL 67 1HG1 VAL 67 3.202 -7.248 -9.785 407 2HG1 VAL 67 2HG1 VAL 67 3.985 -8.122 -8.468 408 3HG1 VAL 67 3HG1 VAL 67 3.704 -8.922 -10.016 409 1HG2 VAL 67 1HG2 VAL 67 5.335 -9.467 -10.917 410 2HG2 VAL 67 2HG2 VAL 67 6.842 -9.022 -10.116 411 3HG2 VAL 67 3HG2 VAL 67 6.434 -8.320 -11.681 412 H ARG 68 H ARG 68 6.626 -4.817 -9.638 413 HA ARG 68 HA ARG 68 8.854 -4.838 -11.631 414 1HB ARG 68 2HB ARG 68 7.460 -2.465 -10.362 415 2HB ARG 68 1HB ARG 68 8.992 -2.342 -11.228 416 1HG ARG 68 2HG ARG 68 6.443 -3.473 -12.417 417 2HG ARG 68 1HG ARG 68 7.013 -1.823 -12.669 418 1HD ARG 68 2HD ARG 68 9.128 -3.773 -13.194 419 2HD ARG 68 1HD ARG 68 7.710 -4.027 -14.231 420 HE ARG 68 HE ARG 68 7.923 -1.360 -14.428 421 1HH1 ARG 68 1HH1 ARG 68 10.758 -1.693 -13.303 422 2HH1 ARG 68 2HH1 ARG 68 11.686 -1.713 -14.765 423 1HH2 ARG 68 1HH2 ARG 68 8.949 -2.291 -16.812 424 2HH2 ARG 68 2HH2 ARG 68 10.663 -2.053 -16.750 425 H LYS 69 H LYS 69 10.427 -5.812 -10.382 426 HA LYS 69 HA LYS 69 10.711 -5.931 -7.620 427 1HB LYS 69 2HB LYS 69 12.091 -7.180 -9.159 428 2HB LYS 69 1HB LYS 69 12.762 -5.697 -9.835 429 1HG LYS 69 2HG LYS 69 13.294 -5.418 -7.138 430 2HG LYS 69 1HG LYS 69 13.522 -7.146 -7.402 431 1HD LYS 69 2HD LYS 69 14.733 -5.974 -9.619 432 2HD LYS 69 1HD LYS 69 15.179 -4.914 -8.280 433 1HE LYS 69 2HE LYS 69 15.507 -7.937 -8.266 434 2HE LYS 69 1HE LYS 69 16.815 -6.768 -8.541 435 1HZ LYS 69 1HZ LYS 69 15.763 -5.707 -6.389 436 2HZ LYS 69 2HZ LYS 69 16.943 -6.925 -6.288 437 3HZ LYS 69 3HZ LYS 69 15.299 -7.312 -6.100 438 H SER 70 H SER 70 12.451 -3.549 -9.667 439 HA SER 70 HA SER 70 12.588 -1.749 -7.268 440 1HB SER 70 2HB SER 70 14.342 -2.068 -9.718 441 2HB SER 70 1HB SER 70 14.592 -0.838 -8.483 442 HG SER 70 HG SER 70 14.518 -2.782 -7.008 443 H TYR 71 H TYR 71 12.090 0.475 -7.580 444 HA TYR 71 HA TYR 71 11.474 1.651 -10.140 445 1HB TYR 71 2HB TYR 71 9.072 1.549 -10.060 446 2HB TYR 71 1HB TYR 71 9.648 -0.094 -9.772 447 HD1 TYR 71 HD1 TYR 71 8.415 2.990 -8.092 448 HD2 TYR 71 HD2 TYR 71 9.224 -1.211 -7.711 449 HE1 TYR 71 HE1 TYR 71 7.245 2.964 -5.904 450 HE2 TYR 71 HE2 TYR 71 8.055 -1.238 -5.524 451 HH TYR 71 HH TYR 71 6.275 1.552 -4.358 452 H THR 72 H THR 72 11.374 3.879 -9.856 453 HA THR 72 HA THR 72 11.997 5.058 -7.329 454 HB THR 72 HB THR 72 10.605 6.619 -9.451 455 HG1 THR 72 HG1 THR 72 13.214 5.653 -9.869 456 1HG2 THR 72 1HG2 THR 72 11.803 8.271 -8.517 457 2HG2 THR 72 2HG2 THR 72 13.304 7.387 -8.792 458 3HG2 THR 72 3HG2 THR 72 12.375 7.110 -7.319 459 H GLY 73 H GLY 73 10.638 5.383 -5.608 460 1HA GLY 73 2HA GLY 73 7.758 4.992 -5.903 461 2HA GLY 73 1HA GLY 73 8.599 5.374 -4.406 462 H SER 74 H SER 74 6.162 6.564 -5.654 463 HA SER 74 HA SER 74 6.798 9.374 -5.118 464 1HB SER 74 2HB SER 74 5.695 8.863 -7.848 465 2HB SER 74 1HB SER 74 6.711 10.187 -7.289 466 HG SER 74 HG SER 74 8.423 9.039 -7.736 467 H THR 75 H THR 75 5.019 9.744 -3.809 468 HA THR 75 HA THR 75 2.589 8.459 -3.635 469 HB THR 75 HB THR 75 1.730 10.686 -2.846 470 HG1 THR 75 HG1 THR 75 4.255 11.744 -3.408 471 1HG2 THR 75 1HG2 THR 75 4.287 9.439 -2.015 472 2HG2 THR 75 2HG2 THR 75 2.826 9.748 -1.077 473 3HG2 THR 75 3HG2 THR 75 3.974 11.053 -1.376 474 HA PRO 76 HA PRO 76 0.202 8.878 -7.292 475 1HB PRO 76 2HB PRO 76 -2.245 9.639 -6.253 476 2HB PRO 76 1HB PRO 76 -1.616 7.975 -6.211 477 1HG PRO 76 2HG PRO 76 -1.479 10.092 -4.090 478 2HG PRO 76 1HG PRO 76 -1.957 8.387 -3.942 479 1HD PRO 76 2HD PRO 76 0.488 9.106 -3.237 480 2HD PRO 76 1HD PRO 76 0.254 7.614 -4.183 481 H GLU 77 H GLU 77 0.752 11.550 -5.172 482 HA GLU 77 HA GLU 77 -0.583 13.554 -6.841 483 1HB GLU 77 2HB GLU 77 0.879 13.352 -4.282 484 2HB GLU 77 1HB GLU 77 1.129 14.873 -5.139 485 1HG GLU 77 2HG GLU 77 -1.664 14.082 -5.219 486 2HG GLU 77 1HG GLU 77 -1.083 14.197 -3.557 487 H GLY 78 H GLY 78 1.048 15.547 -7.350 488 1HA GLY 78 2HA GLY 78 3.026 14.420 -9.219 489 2HA GLY 78 1HA GLY 78 2.568 16.120 -9.096 490 H THR 79 H THR 79 3.706 13.953 -6.509 491 HA THR 79 HA THR 79 6.080 15.738 -6.188 492 HB THR 79 HB THR 79 5.684 15.239 -3.726 493 HG1 THR 79 HG1 THR 79 4.221 13.818 -3.335 494 1HG2 THR 79 1HG2 THR 79 4.592 17.155 -5.397 495 2HG2 THR 79 2HG2 THR 79 4.574 17.203 -3.632 496 3HG2 THR 79 3HG2 THR 79 3.195 16.543 -4.511 497 HA PRO 80 HA PRO 80 7.939 11.664 -6.574 498 1HB PRO 80 2HB PRO 80 10.496 12.568 -6.918 499 2HB PRO 80 1HB PRO 80 9.297 12.542 -8.227 500 1HG PRO 80 2HG PRO 80 10.250 14.824 -6.583 501 2HG PRO 80 1HG PRO 80 9.763 14.781 -8.283 502 1HD PRO 80 2HD PRO 80 8.184 15.723 -6.219 503 2HD PRO 80 1HD PRO 80 7.571 15.160 -7.788 504 H VAL 81 H VAL 81 8.247 10.556 -4.674 505 HA VAL 81 HA VAL 81 9.293 11.893 -2.282 506 HB VAL 81 HB VAL 81 8.402 9.082 -2.921 507 1HG1 VAL 81 1HG1 VAL 81 8.368 8.702 -0.513 508 2HG1 VAL 81 2HG1 VAL 81 8.923 10.350 -0.221 509 3HG1 VAL 81 3HG1 VAL 81 9.992 9.184 -1.001 510 1HG2 VAL 81 1HG2 VAL 81 6.576 10.649 -3.082 511 2HG2 VAL 81 2HG2 VAL 81 7.073 11.458 -1.594 512 3HG2 VAL 81 3HG2 VAL 81 6.416 9.821 -1.533 513 H GLY 82 H GLY 82 10.210 8.596 -3.045 514 1HA GLY 82 2HA GLY 82 13.012 9.405 -3.545 515 2HA GLY 82 1HA GLY 82 12.705 8.394 -2.134 516 H SER 83 H SER 83 14.254 7.002 -3.550 517 HA SER 83 HA SER 83 12.869 5.575 -5.752 518 1HB SER 83 2HB SER 83 15.589 4.916 -4.678 519 2HB SER 83 1HB SER 83 15.021 4.891 -6.344 520 HG SER 83 HG SER 83 14.736 7.327 -5.758 521 H VAL 84 H VAL 84 12.523 3.274 -5.670 522 HA VAL 84 HA VAL 84 12.672 2.069 -2.926 523 HB VAL 84 HB VAL 84 10.470 2.197 -4.983 524 1HG1 VAL 84 1HG1 VAL 84 9.292 0.477 -3.508 525 2HG1 VAL 84 2HG1 VAL 84 10.874 0.122 -2.813 526 3HG1 VAL 84 3HG1 VAL 84 10.584 -0.155 -4.530 527 1HG2 VAL 84 1HG2 VAL 84 10.819 2.829 -2.053 528 2HG2 VAL 84 2HG2 VAL 84 9.210 2.573 -2.728 529 3HG2 VAL 84 3HG2 VAL 84 10.227 3.874 -3.344 530 H ASP 85 H ASP 85 12.934 -0.274 -2.931 531 HA ASP 85 HA ASP 85 13.483 -1.637 -5.495 532 1HB ASP 85 2HB ASP 85 15.519 -0.609 -3.589 533 2HB ASP 85 1HB ASP 85 15.797 -2.227 -4.228 534 H CYS 86 H CYS 86 12.882 -3.760 -5.258 535 HA CYS 86 HA CYS 86 12.160 -4.749 -2.577 536 1HB CYS 86 2HB CYS 86 11.221 -5.004 -5.210 537 2HB CYS 86 1HB CYS 86 11.850 -6.597 -4.792 538 H ALA 87 H ALA 87 15.042 -4.601 -4.067 539 HA ALA 87 HA ALA 87 16.049 -7.252 -4.237 540 1HB ALA 87 1HB ALA 87 17.795 -5.950 -4.855 541 2HB ALA 87 2HB ALA 87 18.040 -5.523 -3.162 542 3HB ALA 87 3HB ALA 87 16.995 -4.530 -4.178 543 H THR 88 H THR 88 15.518 -5.112 -1.515 544 HA THR 88 HA THR 88 15.784 -7.381 0.374 545 HB THR 88 HB THR 88 18.038 -6.417 0.141 546 HG1 THR 88 HG1 THR 88 16.890 -5.426 2.527 547 1HG2 THR 88 1HG2 THR 88 18.359 -4.012 0.814 548 2HG2 THR 88 2HG2 THR 88 16.605 -3.829 0.778 549 3HG2 THR 88 3HG2 THR 88 17.480 -4.224 -0.702 550 H ALA 89 H ALA 89 13.863 -5.133 -0.748 551 HA ALA 89 HA ALA 89 13.029 -3.926 1.840 552 1HB ALA 89 1HB ALA 89 12.018 -3.298 -0.933 553 2HB ALA 89 2HB ALA 89 13.543 -2.639 -0.343 554 3HB ALA 89 3HB ALA 89 12.036 -2.247 0.484 555 H ALA 90 H ALA 90 10.486 -3.588 1.780 556 HA ALA 90 HA ALA 90 9.250 -6.253 1.169 557 1HB ALA 90 1HB ALA 90 8.677 -4.173 3.307 558 2HB ALA 90 2HB ALA 90 9.469 -5.730 3.554 559 3HB ALA 90 3HB ALA 90 7.767 -5.670 3.098 560 H CYS 91 H CYS 91 8.587 -5.535 -0.982 561 HA CYS 91 HA CYS 91 6.926 -3.132 -1.276 562 1HB CYS 91 2HB CYS 91 7.261 -5.394 -3.252 563 2HB CYS 91 1HB CYS 91 7.002 -3.681 -3.586 564 H ASN 92 H ASN 92 4.708 -3.364 -2.283 565 HA ASN 92 HA ASN 92 3.290 -5.886 -1.647 566 1HB ASN 92 2HB ASN 92 1.639 -4.531 -0.280 567 2HB ASN 92 1HB ASN 92 3.239 -4.687 0.447 568 1HD2 ASN 92 1HD2 ASN 92 0.883 -2.413 -0.594 569 2HD2 ASN 92 2HD2 ASN 92 1.845 -1.019 -0.471 570 H LEU 93 H LEU 93 0.792 -5.366 -2.150 571 HA LEU 93 HA LEU 93 0.574 -3.573 -4.531 572 1HB LEU 93 2HB LEU 93 1.101 -5.739 -5.424 573 2HB LEU 93 1HB LEU 93 0.009 -6.541 -4.297 574 HG LEU 93 HG LEU 93 -1.902 -5.332 -5.385 575 1HD1 LEU 93 1HD1 LEU 93 -1.604 -3.993 -7.264 576 2HD1 LEU 93 2HD1 LEU 93 -0.062 -4.742 -7.680 577 3HD1 LEU 93 3HD1 LEU 93 -0.154 -3.599 -6.340 578 1HD2 LEU 93 1HD2 LEU 93 -0.138 -7.107 -7.107 579 2HD2 LEU 93 2HD2 LEU 93 -1.812 -6.714 -7.499 580 3HD2 LEU 93 3HD2 LEU 93 -1.441 -7.628 -6.037 581 H GLY 94 H GLY 94 -1.274 -2.326 -4.264 582 1HA GLY 94 2HA GLY 94 -3.484 -3.531 -2.632 583 2HA GLY 94 1HA GLY 94 -3.018 -1.842 -2.449 584 H ALA 95 H ALA 95 -5.624 -2.963 -3.253 585 HA ALA 95 HA ALA 95 -5.885 -1.569 -5.906 586 1HB ALA 95 1HB ALA 95 -7.434 -4.017 -5.022 587 2HB ALA 95 2HB ALA 95 -5.918 -4.133 -5.916 588 3HB ALA 95 3HB ALA 95 -7.316 -3.345 -6.648 589 H GLY 96 H GLY 96 -8.507 -1.349 -6.230 590 1HA GLY 96 2HA GLY 96 -10.593 -1.031 -4.826 591 2HA GLY 96 1HA GLY 96 -9.546 -0.237 -3.651 592 H ASN 97 H ASN 97 -11.840 0.956 -4.910 593 HA ASN 97 HA ASN 97 -10.582 3.063 -6.605 594 1HB ASN 97 2HB ASN 97 -12.268 1.856 -7.807 595 2HB ASN 97 1HB ASN 97 -13.356 1.867 -6.420 596 1HD2 ASN 97 1HD2 ASN 97 -11.826 4.057 -8.823 597 2HD2 ASN 97 2HD2 ASN 97 -13.040 5.240 -8.745 598 H SER 98 H SER 98 -11.899 5.233 -6.308 599 HA SER 98 HA SER 98 -11.546 6.269 -3.728 600 1HB SER 98 2HB SER 98 -11.946 7.424 -5.964 601 2HB SER 98 1HB SER 98 -13.665 7.138 -5.707 602 HG SER 98 HG SER 98 -13.589 8.406 -3.895 603 H GLY 99 H GLY 99 -14.081 4.125 -4.759 604 1HA GLY 99 2HA GLY 99 -15.490 4.692 -2.187 605 2HA GLY 99 1HA GLY 99 -16.413 4.489 -3.673 606 H LEU 100 H LEU 100 -13.569 2.555 -2.689 607 HA LEU 100 HA LEU 100 -15.058 0.316 -1.662 608 1HB LEU 100 2HB LEU 100 -15.755 0.582 -4.163 609 2HB LEU 100 1HB LEU 100 -14.171 -0.111 -4.509 610 HG LEU 100 HG LEU 100 -15.741 -1.521 -2.431 611 1HD1 LEU 100 1HD1 LEU 100 -16.561 -1.515 -5.350 612 2HD1 LEU 100 2HD1 LEU 100 -17.549 -1.018 -3.978 613 3HD1 LEU 100 3HD1 LEU 100 -17.095 -2.711 -4.170 614 1HD2 LEU 100 1HD2 LEU 100 -14.934 -3.428 -4.069 615 2HD2 LEU 100 2HD2 LEU 100 -13.770 -2.621 -3.019 616 3HD2 LEU 100 3HD2 LEU 100 -13.898 -2.155 -4.716 617 H ASP 101 H ASP 101 -13.393 -0.270 -0.303 618 HA ASP 101 HA ASP 101 -10.613 -0.387 -1.327 619 1HB ASP 101 2HB ASP 101 -11.312 0.643 0.874 620 2HB ASP 101 1HB ASP 101 -11.746 -0.976 1.423 621 H LEU 102 H LEU 102 -9.619 -2.334 -1.825 622 HA LEU 102 HA LEU 102 -11.216 -4.817 -1.478 623 1HB LEU 102 2HB LEU 102 -8.982 -3.885 -3.267 624 2HB LEU 102 1HB LEU 102 -9.358 -5.603 -3.126 625 HG LEU 102 HG LEU 102 -11.639 -3.738 -3.583 626 1HD1 LEU 102 1HD1 LEU 102 -10.980 -3.014 -5.615 627 2HD1 LEU 102 2HD1 LEU 102 -10.509 -4.643 -6.098 628 3HD1 LEU 102 3HD1 LEU 102 -9.367 -3.614 -5.234 629 1HD2 LEU 102 1HD2 LEU 102 -10.891 -6.576 -4.027 630 2HD2 LEU 102 2HD2 LEU 102 -11.930 -5.853 -5.256 631 3HD2 LEU 102 3HD2 LEU 102 -12.445 -5.882 -3.570 632 H GLY 103 H GLY 103 -7.706 -4.606 -1.784 633 1HA GLY 103 2HA GLY 103 -7.140 -5.127 1.001 634 2HA GLY 103 1HA GLY 103 -7.104 -6.619 0.060 635 H HIS 104 H HIS 104 -4.753 -6.212 1.033 636 HA HIS 104 HA HIS 104 -3.158 -4.973 -1.173 637 1HB HIS 104 2HB HIS 104 -2.940 -4.673 1.826 638 2HB HIS 104 1HB HIS 104 -1.598 -4.278 0.752 639 HD1 HIS 104 HD1 HIS 104 -1.567 -1.889 0.079 640 HD2 HIS 104 HD2 HIS 104 -5.454 -3.218 0.786 641 HE1 HIS 104 HE1 HIS 104 -3.087 0.103 -0.304 642 H VAL 105 H VAL 105 -2.330 -6.862 -2.096 643 HA VAL 105 HA VAL 105 -1.475 -9.133 -0.420 644 HB VAL 105 HB VAL 105 -1.525 -8.466 -3.372 645 1HG1 VAL 105 1HG1 VAL 105 0.477 -9.947 -2.615 646 2HG1 VAL 105 2HG1 VAL 105 -0.546 -10.541 -3.915 647 3HG1 VAL 105 3HG1 VAL 105 -0.746 -11.172 -2.283 648 1HG2 VAL 105 1HG2 VAL 105 -3.660 -9.047 -2.282 649 2HG2 VAL 105 2HG2 VAL 105 -2.945 -10.537 -1.666 650 3HG2 VAL 105 3HG2 VAL 105 -3.169 -10.318 -3.402 651 H ALA 106 H ALA 106 0.553 -9.217 0.475 652 HA ALA 106 HA ALA 106 2.633 -7.303 -0.328 653 1HB ALA 106 1HB ALA 106 2.632 -7.651 1.957 654 2HB ALA 106 2HB ALA 106 3.811 -8.878 1.494 655 3HB ALA 106 3HB ALA 106 2.135 -9.336 1.801 656 H LEU 107 H LEU 107 4.404 -7.761 -1.600 657 HA LEU 107 HA LEU 107 4.731 -10.590 -2.561 658 1HB LEU 107 2HB LEU 107 5.561 -8.060 -4.003 659 2HB LEU 107 1HB LEU 107 5.277 -9.660 -4.688 660 HG LEU 107 HG LEU 107 3.153 -7.878 -3.456 661 1HD1 LEU 107 1HD1 LEU 107 3.315 -6.877 -5.496 662 2HD1 LEU 107 2HD1 LEU 107 2.447 -8.304 -6.064 663 3HD1 LEU 107 3HD1 LEU 107 4.205 -8.229 -6.196 664 1HD2 LEU 107 1HD2 LEU 107 1.623 -9.618 -4.474 665 2HD2 LEU 107 2HD2 LEU 107 2.588 -10.204 -3.120 666 3HD2 LEU 107 3HD2 LEU 107 3.050 -10.609 -4.772 667 H THR 108 H THR 108 7.102 -10.955 -3.335 668 HA THR 108 HA THR 108 9.123 -9.321 -1.924 669 HB THR 108 HB THR 108 8.295 -12.110 -1.179 670 HG1 THR 108 HG1 THR 108 9.005 -9.849 0.364 671 1HG2 THR 108 1HG2 THR 108 11.010 -10.980 -1.228 672 2HG2 THR 108 2HG2 THR 108 10.496 -12.662 -1.111 673 3HG2 THR 108 3HG2 THR 108 10.531 -11.648 0.333 674 H PHE 109 H PHE 109 10.676 -9.087 -3.489 675 HA PHE 109 HA PHE 109 10.999 -11.089 -5.622 676 1HB PHE 109 2HB PHE 109 12.259 -8.431 -4.917 677 2HB PHE 109 1HB PHE 109 12.757 -9.376 -6.323 678 HD1 PHE 109 HD1 PHE 109 9.635 -8.083 -4.684 679 HD2 PHE 109 HD2 PHE 109 11.672 -9.023 -8.346 680 HE1 PHE 109 HE1 PHE 109 7.731 -7.163 -5.984 681 HE2 PHE 109 HE2 PHE 109 9.772 -8.107 -9.641 682 HZ PHE 109 HZ PHE 109 7.803 -7.178 -8.466 683 H GLY 110 H GLY 110 11.685 -12.736 -3.844 684 1HA GLY 110 2HA GLY 110 14.333 -13.494 -4.087 685 2HA GLY 110 1HA GLY 110 14.339 -12.410 -2.695 686 2H2' ROM 111 2H2' ROM 111 -10.265 5.690 -7.852 687 2H3' ROM 111 2H3' ROM 111 -7.437 6.242 -8.960 688 H'1 ROM 111 H'1 ROM 111 -4.001 6.011 -9.494 689 3H18 ROM 111 3H18 ROM 111 -3.317 0.677 -3.289 690 2H18 ROM 111 2H18 ROM 111 -4.955 0.251 -3.155 691 2H23 ROM 111 2H23 ROM 111 -9.153 1.852 -2.398 692 H1' ROM 111 H1' ROM 111 -7.704 7.827 -6.538 693 H2' ROM 111 H2' ROM 111 -10.447 7.813 -7.745 694 H3' ROM 111 H3' ROM 111 -9.176 7.310 -9.782 695 H4' ROM 111 H4' ROM 111 -9.591 9.641 -9.292 696 1H6B ROM 111 1H6B ROM 111 -9.054 11.696 -8.602 697 3H6B ROM 111 3H6B ROM 111 -8.431 11.914 -6.967 698 2H6B ROM 111 2H6B ROM 111 -7.320 11.900 -8.338 699 1H6A ROM 111 1H6A ROM 111 -6.009 10.153 -8.337 700 3H6A ROM 111 3H6A ROM 111 -6.290 10.003 -6.602 701 2H6A ROM 111 2H6A ROM 111 -6.429 8.593 -7.646 702 1H4B ROM 111 1H4B ROM 111 -6.080 9.244 -11.365 703 3H4B ROM 111 3H4B ROM 111 -6.035 8.820 -9.649 704 2H4B ROM 111 2H4B ROM 111 -6.999 7.850 -10.771 705 1H4A ROM 111 1H4A ROM 111 -9.473 9.080 -11.346 706 3H4A ROM 111 3H4A ROM 111 -9.004 10.769 -11.604 707 2H4A ROM 111 2H4A ROM 111 -8.056 9.465 -12.339 708 H'8 ROM 111 H'8 ROM 111 0.265 5.800 -7.612 709 H'6 ROM 111 H'6 ROM 111 0.489 8.720 -10.714 710 1H3A ROM 111 1H3A ROM 111 -3.954 8.319 -13.839 711 2H3A ROM 111 2H3A ROM 111 -4.069 9.870 -12.834 712 1H7A ROM 111 1H7A ROM 111 1.940 9.007 -7.685 713 3H7A ROM 111 3H7A ROM 111 3.233 8.937 -8.869 714 2H7A ROM 111 2H7A ROM 111 1.600 9.372 -9.367 715 H3 ROM 111 H3 ROM 111 -4.439 6.782 -5.713 716 H6 ROM 111 H6 ROM 111 -7.607 3.166 -4.595 717 H5 ROM 111 H5 ROM 111 -5.400 2.589 -5.551 718 H12 ROM 111 H12 ROM 111 -5.355 8.862 -4.210 719 H8 ROM 111 H8 ROM 111 -9.378 5.417 -4.424 720 H13 ROM 111 H13 ROM 111 -3.460 3.395 -6.858 721 H10 ROM 111 H10 ROM 111 -9.162 8.416 -2.406 722 H11 ROM 111 H11 ROM 111 -6.948 9.818 -2.434 723 2H14 ROM 111 2H14 ROM 111 -1.535 3.414 -5.468 724 1H14 ROM 111 1H14 ROM 111 -2.050 4.881 -4.627 725 2H17 ROM 111 2H17 ROM 111 -2.231 1.698 -1.878 726 1H17 ROM 111 1H17 ROM 111 -2.903 2.890 -0.770 727 H18 ROM 111 H18 ROM 111 -4.524 1.094 -1.075 728 H20 ROM 111 H20 ROM 111 -4.311 4.507 -1.431 729 H24 ROM 111 H24 ROM 111 -6.957 1.287 -2.279 730 4H18 ROM 111 4H18 ROM 111 -4.514 1.681 -3.955 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -19.233 -8.832 1.798 2 2H ALA 1 2H ALA 1 -19.400 -9.391 3.393 3 3H ALA 1 3H ALA 1 -19.393 -10.495 2.102 4 HA ALA 1 HA ALA 1 -17.074 -8.771 2.810 5 1HB ALA 1 1HB ALA 1 -16.249 -10.676 4.020 6 2HB ALA 1 2HB ALA 1 -17.535 -11.706 3.390 7 3HB ALA 1 3HB ALA 1 -17.914 -10.437 4.555 8 HA PRO 2 HA PRO 2 -16.435 -10.399 -1.367 9 1HB PRO 2 2HB PRO 2 -14.594 -8.507 -2.085 10 2HB PRO 2 1HB PRO 2 -16.347 -8.233 -2.164 11 1HG PRO 2 2HG PRO 2 -14.381 -7.323 -0.130 12 2HG PRO 2 1HG PRO 2 -15.811 -6.500 -0.771 13 1HD PRO 2 2HD PRO 2 -15.725 -7.766 1.673 14 2HD PRO 2 1HD PRO 2 -17.212 -7.489 0.740 15 H ALA 3 H ALA 3 -13.760 -10.141 -2.390 16 HA ALA 3 HA ALA 3 -11.827 -11.021 -0.391 17 1HB ALA 3 1HB ALA 3 -11.734 -13.370 -1.338 18 2HB ALA 3 2HB ALA 3 -13.227 -13.002 -2.202 19 3HB ALA 3 3HB ALA 3 -13.205 -12.998 -0.439 20 H PHE 4 H PHE 4 -9.864 -10.440 -1.219 21 HA PHE 4 HA PHE 4 -9.490 -10.448 -4.205 22 1HB PHE 4 2HB PHE 4 -9.710 -8.193 -3.341 23 2HB PHE 4 1HB PHE 4 -8.574 -8.530 -2.041 24 HD1 PHE 4 HD1 PHE 4 -8.629 -8.978 -5.779 25 HD2 PHE 4 HD2 PHE 4 -6.475 -7.582 -2.333 26 HE1 PHE 4 HE1 PHE 4 -6.743 -8.283 -7.238 27 HE2 PHE 4 HE2 PHE 4 -4.592 -6.890 -3.789 28 HZ PHE 4 HZ PHE 4 -4.722 -7.235 -6.242 29 H SER 5 H SER 5 -7.712 -11.694 -4.860 30 HA SER 5 HA SER 5 -5.455 -12.032 -2.962 31 1HB SER 5 2HB SER 5 -7.450 -13.731 -2.678 32 2HB SER 5 1HB SER 5 -6.725 -14.503 -4.086 33 HG SER 5 HG SER 5 -5.178 -15.194 -2.848 34 H VAL 6 H VAL 6 -3.642 -13.201 -3.936 35 HA VAL 6 HA VAL 6 -3.569 -13.023 -6.932 36 HB VAL 6 HB VAL 6 -2.285 -11.282 -5.750 37 1HG1 VAL 6 1HG1 VAL 6 -1.306 -13.679 -4.229 38 2HG1 VAL 6 2HG1 VAL 6 -1.850 -12.119 -3.614 39 3HG1 VAL 6 3HG1 VAL 6 -0.268 -12.262 -4.379 40 1HG2 VAL 6 1HG2 VAL 6 -0.384 -13.426 -6.731 41 2HG2 VAL 6 2HG2 VAL 6 -0.122 -11.682 -6.753 42 3HG2 VAL 6 3HG2 VAL 6 -1.332 -12.406 -7.812 43 H SER 7 H SER 7 -1.937 -14.642 -7.873 44 HA SER 7 HA SER 7 -2.317 -17.246 -6.678 45 1HB SER 7 2HB SER 7 -2.050 -17.422 -8.944 46 2HB SER 7 1HB SER 7 -0.944 -16.058 -9.032 47 HG SER 7 HG SER 7 -0.416 -18.702 -8.865 48 HA PRO 8 HA PRO 8 2.063 -17.153 -5.078 49 1HB PRO 8 2HB PRO 8 4.021 -15.588 -6.136 50 2HB PRO 8 1HB PRO 8 3.527 -17.122 -6.878 51 1HG PRO 8 2HG PRO 8 3.001 -14.363 -7.755 52 2HG PRO 8 1HG PRO 8 3.040 -15.862 -8.694 53 1HD PRO 8 2HD PRO 8 0.736 -14.466 -7.771 54 2HD PRO 8 1HD PRO 8 0.812 -16.025 -8.591 55 H ALA 9 H ALA 9 3.992 -15.166 -4.338 56 HA ALA 9 HA ALA 9 2.985 -12.584 -3.736 57 1HB ALA 9 1HB ALA 9 1.206 -13.573 -2.523 58 2HB ALA 9 2HB ALA 9 2.373 -13.119 -1.281 59 3HB ALA 9 3HB ALA 9 2.262 -14.795 -1.815 60 H SER 10 H SER 10 4.953 -15.322 -2.741 61 HA SER 10 HA SER 10 6.927 -13.390 -1.564 62 1HB SER 10 2HB SER 10 7.612 -15.377 -0.194 63 2HB SER 10 1HB SER 10 5.947 -14.884 0.091 64 HG SER 10 HG SER 10 5.760 -17.003 -0.272 65 H GLY 11 H GLY 11 9.244 -14.229 -1.786 66 1HA GLY 11 2HA GLY 11 10.990 -14.776 -3.266 67 2HA GLY 11 1HA GLY 11 10.069 -16.258 -3.533 68 H LEU 12 H LEU 12 9.356 -12.857 -4.342 69 HA LEU 12 HA LEU 12 8.475 -13.680 -7.033 70 1HB LEU 12 2HB LEU 12 8.593 -11.025 -5.574 71 2HB LEU 12 1HB LEU 12 7.796 -11.287 -7.126 72 HG LEU 12 HG LEU 12 7.095 -12.616 -4.495 73 1HD1 LEU 12 1HD1 LEU 12 6.205 -10.221 -5.866 74 2HD1 LEU 12 2HD1 LEU 12 5.764 -10.814 -4.265 75 3HD1 LEU 12 3HD1 LEU 12 4.876 -11.367 -5.684 76 1HD2 LEU 12 1HD2 LEU 12 5.113 -13.388 -6.054 77 2HD2 LEU 12 2HD2 LEU 12 6.627 -14.291 -6.049 78 3HD2 LEU 12 3HD2 LEU 12 6.293 -13.138 -7.341 79 H SER 13 H SER 13 9.162 -11.715 -8.691 80 HA SER 13 HA SER 13 11.983 -10.954 -8.487 81 1HB SER 13 2HB SER 13 12.576 -12.343 -10.490 82 2HB SER 13 1HB SER 13 12.148 -13.309 -9.082 83 HG SER 13 HG SER 13 10.776 -14.176 -10.430 84 H ASP 14 H ASP 14 12.458 -9.295 -9.983 85 HA ASP 14 HA ASP 14 10.349 -7.753 -11.081 86 1HB ASP 14 2HB ASP 14 12.185 -6.553 -12.181 87 2HB ASP 14 1HB ASP 14 12.673 -7.018 -10.550 88 H GLY 15 H GLY 15 9.291 -7.820 -13.054 89 1HA GLY 15 2HA GLY 15 9.044 -8.347 -15.386 90 2HA GLY 15 1HA GLY 15 10.390 -9.482 -15.238 91 H GLN 16 H GLN 16 9.228 -10.646 -12.765 92 HA GLN 16 HA GLN 16 7.794 -12.825 -13.906 93 1HB GLN 16 2HB GLN 16 9.031 -12.882 -11.787 94 2HB GLN 16 1HB GLN 16 7.888 -11.740 -11.080 95 1HG GLN 16 2HG GLN 16 6.100 -13.315 -11.174 96 2HG GLN 16 1HG GLN 16 7.013 -14.393 -12.230 97 1HE2 GLN 16 1HE2 GLN 16 6.143 -15.705 -10.076 98 2HE2 GLN 16 2HE2 GLN 16 7.345 -15.890 -8.896 99 H SER 17 H SER 17 5.550 -13.309 -13.924 100 HA SER 17 HA SER 17 3.746 -10.958 -13.440 101 1HB SER 17 2HB SER 17 2.779 -11.427 -15.464 102 2HB SER 17 1HB SER 17 4.309 -12.240 -15.783 103 HG SER 17 HG SER 17 3.385 -14.157 -15.380 104 H VAL 18 H VAL 18 2.225 -11.287 -11.879 105 HA VAL 18 HA VAL 18 1.792 -14.058 -10.874 106 HB VAL 18 HB VAL 18 1.011 -12.883 -8.858 107 1HG1 VAL 18 1HG1 VAL 18 3.113 -11.751 -8.265 108 2HG1 VAL 18 2HG1 VAL 18 3.553 -11.651 -9.969 109 3HG1 VAL 18 3HG1 VAL 18 3.452 -13.223 -9.177 110 1HG2 VAL 18 1HG2 VAL 18 0.806 -10.509 -8.751 111 2HG2 VAL 18 2HG2 VAL 18 0.020 -10.966 -10.262 112 3HG2 VAL 18 3HG2 VAL 18 1.649 -10.292 -10.285 113 H SER 19 H SER 19 -0.386 -14.811 -10.569 114 HA SER 19 HA SER 19 -2.333 -13.640 -12.472 115 1HB SER 19 2HB SER 19 -1.753 -16.205 -11.170 116 2HB SER 19 1HB SER 19 -3.475 -15.847 -11.263 117 HG SER 19 HG SER 19 -3.389 -15.969 -13.382 118 H VAL 20 H VAL 20 -3.512 -11.956 -11.596 119 HA VAL 20 HA VAL 20 -4.246 -12.054 -8.719 120 HB VAL 20 HB VAL 20 -4.588 -9.942 -10.871 121 1HG1 VAL 20 1HG1 VAL 20 -6.173 -9.616 -9.057 122 2HG1 VAL 20 2HG1 VAL 20 -4.875 -8.434 -8.887 123 3HG1 VAL 20 3HG1 VAL 20 -4.907 -9.865 -7.856 124 1HG2 VAL 20 1HG2 VAL 20 -2.260 -10.867 -9.644 125 2HG2 VAL 20 2HG2 VAL 20 -2.692 -9.427 -8.722 126 3HG2 VAL 20 3HG2 VAL 20 -2.460 -9.321 -10.467 127 H SER 21 H SER 21 -6.503 -11.482 -8.155 128 HA SER 21 HA SER 21 -8.612 -11.792 -10.165 129 1HB SER 21 2HB SER 21 -9.316 -13.976 -9.598 130 2HB SER 21 1HB SER 21 -7.562 -14.109 -9.683 131 HG SER 21 HG SER 21 -8.070 -14.996 -7.763 132 H VAL 22 H VAL 22 -10.245 -10.536 -9.396 133 HA VAL 22 HA VAL 22 -10.468 -10.139 -6.454 134 HB VAL 22 HB VAL 22 -11.608 -8.496 -8.723 135 1HG1 VAL 22 1HG1 VAL 22 -11.758 -8.368 -5.870 136 2HG1 VAL 22 2HG1 VAL 22 -12.437 -7.245 -7.049 137 3HG1 VAL 22 3HG1 VAL 22 -10.805 -6.995 -6.432 138 1HG2 VAL 22 1HG2 VAL 22 -8.837 -8.685 -7.644 139 2HG2 VAL 22 2HG2 VAL 22 -9.464 -7.063 -7.937 140 3HG2 VAL 22 3HG2 VAL 22 -9.386 -8.230 -9.257 141 H SER 23 H SER 23 -12.438 -10.655 -5.468 142 HA SER 23 HA SER 23 -14.790 -11.245 -7.164 143 1HB SER 23 2HB SER 23 -14.933 -13.524 -6.072 144 2HB SER 23 1HB SER 23 -13.581 -13.333 -7.182 145 HG SER 23 HG SER 23 -13.623 -13.659 -4.438 146 H GLY 24 H GLY 24 -16.399 -10.173 -6.116 147 1HA GLY 24 2HA GLY 24 -17.724 -10.563 -3.884 148 2HA GLY 24 1HA GLY 24 -16.258 -9.914 -3.163 149 H ALA 25 H ALA 25 -15.727 -8.015 -5.308 150 HA ALA 25 HA ALA 25 -17.100 -5.730 -4.349 151 1HB ALA 25 1HB ALA 25 -15.152 -5.276 -5.528 152 2HB ALA 25 2HB ALA 25 -16.336 -4.957 -6.798 153 3HB ALA 25 3HB ALA 25 -15.488 -6.500 -6.754 154 H ALA 26 H ALA 26 -18.131 -4.475 -6.723 155 HA ALA 26 HA ALA 26 -20.258 -6.245 -7.766 156 1HB ALA 26 1HB ALA 26 -21.331 -3.794 -6.565 157 2HB ALA 26 2HB ALA 26 -20.605 -4.894 -5.391 158 3HB ALA 26 3HB ALA 26 -21.913 -5.454 -6.435 159 H ALA 27 H ALA 27 -21.130 -5.484 -9.701 160 HA ALA 27 HA ALA 27 -19.746 -3.758 -11.385 161 1HB ALA 27 1HB ALA 27 -21.442 -4.330 -12.790 162 2HB ALA 27 2HB ALA 27 -22.667 -3.666 -11.707 163 3HB ALA 27 3HB ALA 27 -22.047 -5.295 -11.442 164 H GLY 28 H GLY 28 -19.616 -1.554 -11.596 165 1HA GLY 28 2HA GLY 28 -20.771 0.645 -11.505 166 2HA GLY 28 1HA GLY 28 -21.498 0.104 -9.996 167 H GLU 29 H GLU 29 -18.393 -1.049 -9.991 168 HA GLU 29 HA GLU 29 -17.339 1.435 -8.682 169 1HB GLU 29 2HB GLU 29 -17.341 -1.448 -7.777 170 2HB GLU 29 1HB GLU 29 -16.289 -0.228 -7.057 171 1HG GLU 29 2HG GLU 29 -19.228 0.332 -7.308 172 2HG GLU 29 1HG GLU 29 -18.653 -0.699 -5.998 173 H THR 30 H THR 30 -15.178 1.853 -9.073 174 HA THR 30 HA THR 30 -13.807 0.044 -11.019 175 HB THR 30 HB THR 30 -13.122 2.913 -10.373 176 HG1 THR 30 HG1 THR 30 -14.765 3.578 -11.515 177 1HG2 THR 30 1HG2 THR 30 -12.623 0.978 -12.612 178 2HG2 THR 30 2HG2 THR 30 -11.480 2.022 -11.771 179 3HG2 THR 30 3HG2 THR 30 -12.608 2.711 -12.937 180 H TYR 31 H TYR 31 -11.600 -0.505 -10.593 181 HA TYR 31 HA TYR 31 -10.664 0.106 -7.812 182 1HB TYR 31 2HB TYR 31 -10.553 -2.447 -9.444 183 2HB TYR 31 1HB TYR 31 -9.742 -2.235 -7.891 184 HD1 TYR 31 HD1 TYR 31 -11.140 -1.629 -5.851 185 HD2 TYR 31 HD2 TYR 31 -12.875 -2.958 -9.549 186 HE1 TYR 31 HE1 TYR 31 -13.252 -2.165 -4.666 187 HE2 TYR 31 HE2 TYR 31 -14.989 -3.497 -8.363 188 HH TYR 31 HH TYR 31 -16.163 -2.915 -6.346 189 H TYR 32 H TYR 32 -8.238 -0.187 -7.618 190 HA TYR 32 HA TYR 32 -6.774 0.235 -10.183 191 1HB TYR 32 2HB TYR 32 -6.325 2.010 -7.780 192 2HB TYR 32 1HB TYR 32 -5.903 2.317 -9.465 193 HD1 TYR 32 HD1 TYR 32 -8.676 2.184 -7.015 194 HD2 TYR 32 HD2 TYR 32 -7.541 3.159 -11.044 195 HE1 TYR 32 HE1 TYR 32 -10.849 3.328 -7.351 196 HE2 TYR 32 HE2 TYR 32 -9.716 4.306 -11.377 197 HH TYR 32 HH TYR 32 -12.120 4.489 -8.745 198 H ILE 33 H ILE 33 -5.706 -1.770 -9.880 199 HA ILE 33 HA ILE 33 -4.383 -2.382 -7.327 200 HB ILE 33 HB ILE 33 -5.436 -4.108 -8.719 201 1HG1 ILE 33 2HG1 ILE 33 -3.583 -5.690 -8.808 202 2HG1 ILE 33 1HG1 ILE 33 -2.415 -4.369 -8.821 203 1HG2 ILE 33 1HG2 ILE 33 -3.466 -4.165 -10.850 204 2HG2 ILE 33 2HG2 ILE 33 -4.314 -2.619 -10.821 205 3HG2 ILE 33 3HG2 ILE 33 -5.225 -4.122 -10.963 206 1HD1 ILE 33 1HD1 ILE 33 -2.666 -3.943 -6.585 207 2HD1 ILE 33 2HD1 ILE 33 -3.146 -5.637 -6.556 208 3HD1 ILE 33 3HD1 ILE 33 -4.371 -4.372 -6.590 209 H ALA 34 H ALA 34 -2.161 -2.183 -6.940 210 HA ALA 34 HA ALA 34 -0.257 -1.643 -9.095 211 1HB ALA 34 1HB ALA 34 -0.790 0.567 -7.100 212 2HB ALA 34 2HB ALA 34 -1.629 0.491 -8.651 213 3HB ALA 34 3HB ALA 34 0.126 0.659 -8.605 214 H GLN 35 H GLN 35 1.913 -1.804 -8.331 215 HA GLN 35 HA GLN 35 2.202 -3.040 -5.668 216 1HB GLN 35 2HB GLN 35 3.286 -3.936 -7.717 217 2HB GLN 35 1HB GLN 35 4.189 -2.429 -7.882 218 1HG GLN 35 2HG GLN 35 5.449 -2.828 -5.919 219 2HG GLN 35 1HG GLN 35 4.321 -4.059 -5.346 220 1HE2 GLN 35 1HE2 GLN 35 7.281 -3.629 -6.963 221 2HE2 GLN 35 2HE2 GLN 35 7.414 -5.178 -7.643 222 H CYS 36 H CYS 36 2.649 -1.778 -3.901 223 HA CYS 36 HA CYS 36 4.083 0.821 -4.362 224 1HB CYS 36 2HB CYS 36 2.132 0.084 -2.164 225 2HB CYS 36 1HB CYS 36 2.754 1.693 -2.532 226 H ALA 37 H ALA 37 5.027 1.562 -2.100 227 HA ALA 37 HA ALA 37 6.015 -0.522 -0.317 228 1HB ALA 37 1HB ALA 37 8.454 0.189 -1.163 229 2HB ALA 37 2HB ALA 37 7.575 0.491 -2.663 230 3HB ALA 37 3HB ALA 37 7.564 -1.118 -1.942 231 HA PRO 38 HA PRO 38 6.261 3.175 2.085 232 1HB PRO 38 2HB PRO 38 7.830 2.251 4.132 233 2HB PRO 38 1HB PRO 38 6.111 1.856 3.963 234 1HG PRO 38 2HG PRO 38 8.502 0.239 3.210 235 2HG PRO 38 1HG PRO 38 6.991 -0.280 3.978 236 1HD PRO 38 2HD PRO 38 7.479 -0.661 1.340 237 2HD PRO 38 1HD PRO 38 5.844 -0.367 1.976 238 H VAL 39 H VAL 39 7.871 4.766 2.790 239 HA VAL 39 HA VAL 39 10.696 4.345 2.066 240 HB VAL 39 HB VAL 39 9.491 4.779 -0.082 241 1HG1 VAL 39 1HG1 VAL 39 9.066 7.621 0.676 242 2HG1 VAL 39 2HG1 VAL 39 7.927 6.454 1.350 243 3HG1 VAL 39 3HG1 VAL 39 8.121 6.589 -0.396 244 1HG2 VAL 39 1HG2 VAL 39 11.430 6.853 0.965 245 2HG2 VAL 39 2HG2 VAL 39 10.909 6.816 -0.719 246 3HG2 VAL 39 3HG2 VAL 39 11.785 5.446 -0.037 247 H GLY 40 H GLY 40 10.612 4.921 4.459 248 1HA GLY 40 2HA GLY 40 11.461 6.644 5.910 249 2HA GLY 40 1HA GLY 40 10.899 7.854 4.756 250 H GLY 41 H GLY 41 8.427 5.685 5.047 251 1HA GLY 41 2HA GLY 41 6.884 5.574 7.075 252 2HA GLY 41 1HA GLY 41 7.146 7.315 7.203 253 H GLN 42 H GLN 42 7.095 7.772 4.317 254 HA GLN 42 HA GLN 42 4.199 7.985 3.974 255 1HB GLN 42 2HB GLN 42 6.589 8.618 2.213 256 2HB GLN 42 1HB GLN 42 4.930 9.093 1.848 257 1HG GLN 42 2HG GLN 42 5.187 10.919 3.134 258 2HG GLN 42 1HG GLN 42 5.458 9.877 4.531 259 1HE2 GLN 42 1HE2 GLN 42 6.868 12.421 3.085 260 2HE2 GLN 42 2HE2 GLN 42 8.508 12.053 3.321 261 H ASP 43 H ASP 43 3.202 7.235 1.850 262 HA ASP 43 HA ASP 43 4.141 4.463 1.227 263 1HB ASP 43 2HB ASP 43 1.466 5.867 0.929 264 2HB ASP 43 1HB ASP 43 1.765 4.177 0.520 265 H ALA 44 H ALA 44 5.346 4.451 -0.642 266 HA ALA 44 HA ALA 44 4.643 6.363 -2.831 267 1HB ALA 44 1HB ALA 44 7.050 5.058 -1.740 268 2HB ALA 44 2HB ALA 44 6.906 6.568 -2.636 269 3HB ALA 44 3HB ALA 44 6.982 5.034 -3.502 270 H CYS 45 H CYS 45 3.147 5.407 -4.213 271 HA CYS 45 HA CYS 45 3.181 2.485 -4.681 272 1HB CYS 45 2HB CYS 45 1.401 4.823 -5.222 273 2HB CYS 45 1HB CYS 45 1.206 3.387 -6.225 274 H ASN 46 H ASN 46 2.945 1.772 -7.042 275 HA ASN 46 HA ASN 46 5.111 3.013 -8.635 276 1HB ASN 46 2HB ASN 46 4.689 0.503 -8.066 277 2HB ASN 46 1HB ASN 46 3.475 0.584 -9.343 278 1HD2 ASN 46 1HD2 ASN 46 5.884 -1.018 -9.551 279 2HD2 ASN 46 2HD2 ASN 46 6.821 -0.371 -10.810 280 HA PRO 47 HA PRO 47 1.795 4.945 -10.972 281 1HB PRO 47 2HB PRO 47 3.356 6.868 -12.111 282 2HB PRO 47 1HB PRO 47 2.728 6.992 -10.456 283 1HG PRO 47 2HG PRO 47 5.459 6.354 -11.394 284 2HG PRO 47 1HG PRO 47 4.930 7.130 -9.895 285 1HD PRO 47 2HD PRO 47 5.736 4.455 -10.181 286 2HD PRO 47 1HD PRO 47 4.902 5.158 -8.778 287 H ALA 48 H ALA 48 4.722 3.433 -11.975 288 HA ALA 48 HA ALA 48 4.388 3.777 -14.844 289 1HB ALA 48 1HB ALA 48 6.251 2.222 -14.935 290 2HB ALA 48 2HB ALA 48 5.939 1.699 -13.281 291 3HB ALA 48 3HB ALA 48 6.526 3.332 -13.593 292 H THR 49 H THR 49 3.824 1.062 -12.597 293 HA THR 49 HA THR 49 2.344 -0.385 -14.729 294 HB THR 49 HB THR 49 2.389 -2.135 -12.808 295 HG1 THR 49 HG1 THR 49 4.189 -1.660 -11.392 296 1HG2 THR 49 1HG2 THR 49 3.920 -1.830 -14.920 297 2HG2 THR 49 2HG2 THR 49 4.395 -2.954 -13.648 298 3HG2 THR 49 3HG2 THR 49 5.128 -1.352 -13.729 299 H ALA 50 H ALA 50 0.472 1.119 -14.646 300 HA ALA 50 HA ALA 50 -1.156 0.898 -12.147 301 1HB ALA 50 1HB ALA 50 -1.801 3.033 -12.615 302 2HB ALA 50 2HB ALA 50 -2.023 2.680 -14.328 303 3HB ALA 50 3HB ALA 50 -0.414 3.043 -13.704 304 H THR 51 H THR 51 -3.013 -0.327 -12.207 305 HA THR 51 HA THR 51 -4.169 -1.037 -14.871 306 HB THR 51 HB THR 51 -4.506 -3.314 -13.523 307 HG1 THR 51 HG1 THR 51 -2.391 -3.586 -12.434 308 1HG2 THR 51 1HG2 THR 51 -3.253 -4.006 -15.248 309 2HG2 THR 51 2HG2 THR 51 -1.806 -3.367 -14.468 310 3HG2 THR 51 3HG2 THR 51 -2.762 -2.337 -15.532 311 H SER 52 H SER 52 -5.939 0.427 -14.437 312 HA SER 52 HA SER 52 -7.551 0.026 -11.987 313 1HB SER 52 2HB SER 52 -7.259 2.279 -12.713 314 2HB SER 52 1HB SER 52 -7.598 1.866 -14.391 315 HG SER 52 HG SER 52 -9.627 2.174 -13.974 316 H PHE 53 H PHE 53 -9.317 -1.360 -11.962 317 HA PHE 53 HA PHE 53 -10.607 -2.027 -14.577 318 1HB PHE 53 2HB PHE 53 -10.526 -4.412 -13.916 319 2HB PHE 53 1HB PHE 53 -8.907 -3.720 -14.027 320 HD1 PHE 53 HD1 PHE 53 -11.583 -4.786 -11.692 321 HD2 PHE 53 HD2 PHE 53 -7.525 -3.429 -12.073 322 HE1 PHE 53 HE1 PHE 53 -11.162 -5.381 -9.323 323 HE2 PHE 53 HE2 PHE 53 -7.103 -4.024 -9.703 324 HZ PHE 53 HZ PHE 53 -8.922 -5.000 -8.327 325 H THR 54 H THR 54 -12.812 -1.998 -14.429 326 HA THR 54 HA THR 54 -14.049 -1.707 -11.738 327 HB THR 54 HB THR 54 -15.025 -1.309 -14.584 328 HG1 THR 54 HG1 THR 54 -14.564 0.741 -14.247 329 1HG2 THR 54 1HG2 THR 54 -16.683 0.014 -12.709 330 2HG2 THR 54 2HG2 THR 54 -16.494 -1.642 -12.135 331 3HG2 THR 54 3HG2 THR 54 -17.113 -1.336 -13.758 332 H THR 55 H THR 55 -15.751 -3.146 -11.071 333 HA THR 55 HA THR 55 -15.550 -5.857 -12.168 334 HB THR 55 HB THR 55 -17.558 -6.032 -10.412 335 HG1 THR 55 HG1 THR 55 -17.932 -3.931 -10.013 336 1HG2 THR 55 1HG2 THR 55 -15.470 -7.098 -9.973 337 2HG2 THR 55 2HG2 THR 55 -15.755 -6.044 -8.588 338 3HG2 THR 55 3HG2 THR 55 -14.620 -5.555 -9.847 339 H ASP 56 H ASP 56 -17.431 -7.049 -13.009 340 HA ASP 56 HA ASP 56 -19.143 -5.319 -14.713 341 1HB ASP 56 2HB ASP 56 -17.751 -7.715 -15.024 342 2HB ASP 56 1HB ASP 56 -19.440 -8.213 -14.931 343 H ALA 57 H ALA 57 -21.337 -7.064 -15.012 344 HA ALA 57 HA ALA 57 -22.970 -6.362 -12.759 345 1HB ALA 57 1HB ALA 57 -23.402 -8.514 -14.851 346 2HB ALA 57 2HB ALA 57 -23.688 -6.795 -15.134 347 3HB ALA 57 3HB ALA 57 -24.654 -7.664 -13.941 348 H SER 58 H SER 58 -20.996 -9.141 -13.491 349 HA SER 58 HA SER 58 -22.196 -10.854 -11.434 350 1HB SER 58 2HB SER 58 -19.885 -10.960 -13.359 351 2HB SER 58 1HB SER 58 -20.002 -12.164 -12.078 352 HG SER 58 HG SER 58 -22.169 -11.534 -13.789 353 H GLY 59 H GLY 59 -20.190 -8.190 -11.328 354 1HA GLY 59 2HA GLY 59 -18.707 -7.323 -9.736 355 2HA GLY 59 1HA GLY 59 -19.604 -8.310 -8.583 356 H ALA 60 H ALA 60 -17.316 -8.965 -11.260 357 HA ALA 60 HA ALA 60 -15.454 -10.263 -9.370 358 1HB ALA 60 1HB ALA 60 -17.528 -11.673 -10.791 359 2HB ALA 60 2HB ALA 60 -16.348 -12.314 -9.647 360 3HB ALA 60 3HB ALA 60 -15.951 -12.220 -11.363 361 H ALA 61 H ALA 61 -13.422 -10.886 -10.460 362 HA ALA 61 HA ALA 61 -13.033 -10.193 -13.283 363 1HB ALA 61 1HB ALA 61 -11.154 -8.544 -11.997 364 2HB ALA 61 2HB ALA 61 -12.670 -8.274 -11.135 365 3HB ALA 61 3HB ALA 61 -12.588 -8.015 -12.877 366 H SER 62 H SER 62 -10.646 -10.379 -13.834 367 HA SER 62 HA SER 62 -8.806 -11.689 -12.018 368 1HB SER 62 2HB SER 62 -8.959 -13.922 -13.084 369 2HB SER 62 1HB SER 62 -10.499 -13.471 -12.358 370 HG SER 62 HG SER 62 -11.158 -12.771 -14.445 371 H PHE 63 H PHE 63 -6.756 -11.335 -12.912 372 HA PHE 63 HA PHE 63 -6.341 -11.448 -15.806 373 1HB PHE 63 2HB PHE 63 -5.792 -9.023 -15.987 374 2HB PHE 63 1HB PHE 63 -7.481 -9.296 -15.556 375 HD1 PHE 63 HD1 PHE 63 -4.133 -8.745 -13.970 376 HD2 PHE 63 HD2 PHE 63 -8.385 -8.192 -13.673 377 HE1 PHE 63 HE1 PHE 63 -3.805 -7.390 -11.920 378 HE2 PHE 63 HE2 PHE 63 -8.054 -6.835 -11.618 379 HZ PHE 63 HZ PHE 63 -5.770 -6.438 -10.742 380 H SER 64 H SER 64 -4.064 -11.074 -16.364 381 HA SER 64 HA SER 64 -2.241 -11.860 -14.181 382 1HB SER 64 2HB SER 64 -0.663 -11.838 -16.262 383 2HB SER 64 1HB SER 64 -1.935 -13.050 -16.192 384 HG SER 64 HG SER 64 -1.704 -10.752 -17.766 385 H PHE 65 H PHE 65 -0.475 -10.570 -13.501 386 HA PHE 65 HA PHE 65 -0.255 -7.824 -14.629 387 1HB PHE 65 2HB PHE 65 -1.826 -7.627 -12.830 388 2HB PHE 65 1HB PHE 65 -0.847 -8.653 -11.785 389 HD1 PHE 65 HD1 PHE 65 -0.701 -5.441 -13.697 390 HD2 PHE 65 HD2 PHE 65 0.686 -7.693 -10.317 391 HE1 PHE 65 HE1 PHE 65 0.494 -3.443 -12.860 392 HE2 PHE 65 HE2 PHE 65 1.882 -5.697 -9.481 393 HZ PHE 65 HZ PHE 65 1.793 -3.573 -10.749 394 H VAL 66 H VAL 66 1.897 -7.382 -14.946 395 HA VAL 66 HA VAL 66 3.947 -9.158 -13.835 396 HB VAL 66 HB VAL 66 4.248 -6.585 -15.393 397 1HG1 VAL 66 1HG1 VAL 66 6.407 -7.173 -14.870 398 2HG1 VAL 66 2HG1 VAL 66 6.193 -8.222 -16.272 399 3HG1 VAL 66 3HG1 VAL 66 5.999 -8.874 -14.645 400 1HG2 VAL 66 1HG2 VAL 66 2.628 -8.324 -16.384 401 2HG2 VAL 66 2HG2 VAL 66 4.040 -9.364 -16.562 402 3HG2 VAL 66 3HG2 VAL 66 3.971 -7.820 -17.410 403 H VAL 67 H VAL 67 5.864 -8.228 -12.698 404 HA VAL 67 HA VAL 67 5.134 -5.869 -10.998 405 HB VAL 67 HB VAL 67 6.389 -7.213 -9.195 406 1HG1 VAL 67 1HG1 VAL 67 3.819 -8.377 -10.292 407 2HG1 VAL 67 2HG1 VAL 67 3.915 -6.912 -9.316 408 3HG1 VAL 67 3HG1 VAL 67 4.384 -8.464 -8.625 409 1HG2 VAL 67 1HG2 VAL 67 7.138 -8.826 -11.205 410 2HG2 VAL 67 2HG2 VAL 67 5.642 -9.647 -10.757 411 3HG2 VAL 67 3HG2 VAL 67 6.922 -9.431 -9.563 412 H ARG 68 H ARG 68 7.271 -5.152 -9.774 413 HA ARG 68 HA ARG 68 9.716 -5.551 -11.393 414 1HB ARG 68 2HB ARG 68 7.889 -3.270 -11.556 415 2HB ARG 68 1HB ARG 68 9.546 -2.781 -11.192 416 1HG ARG 68 2HG ARG 68 10.396 -3.901 -13.141 417 2HG ARG 68 1HG ARG 68 8.850 -4.702 -13.427 418 1HD ARG 68 2HD ARG 68 8.683 -2.934 -14.941 419 2HD ARG 68 1HD ARG 68 7.976 -2.170 -13.502 420 HE ARG 68 HE ARG 68 9.976 -0.909 -13.224 421 1HH1 ARG 68 1HH1 ARG 68 9.900 -1.538 -16.334 422 2HH1 ARG 68 2HH1 ARG 68 11.589 -1.809 -16.594 423 1HH2 ARG 68 1HH2 ARG 68 12.337 -2.070 -13.219 424 2HH2 ARG 68 2HH2 ARG 68 12.971 -2.110 -14.831 425 H LYS 69 H LYS 69 10.641 -6.376 -9.469 426 HA LYS 69 HA LYS 69 10.653 -5.717 -6.858 427 1HB LYS 69 2HB LYS 69 12.212 -7.212 -8.228 428 2HB LYS 69 1HB LYS 69 13.227 -5.786 -8.435 429 1HG LYS 69 2HG LYS 69 13.613 -5.598 -6.084 430 2HG LYS 69 1HG LYS 69 12.344 -6.767 -5.716 431 1HD LYS 69 2HD LYS 69 14.469 -7.908 -5.515 432 2HD LYS 69 1HD LYS 69 13.677 -8.496 -6.976 433 1HE LYS 69 2HE LYS 69 15.014 -6.510 -8.127 434 2HE LYS 69 1HE LYS 69 16.075 -6.714 -6.719 435 1HZ LYS 69 1HZ LYS 69 16.849 -8.608 -7.561 436 2HZ LYS 69 2HZ LYS 69 15.950 -8.337 -8.976 437 3HZ LYS 69 3HZ LYS 69 15.284 -9.246 -7.704 438 H SER 70 H SER 70 12.353 -3.696 -9.287 439 HA SER 70 HA SER 70 12.498 -1.529 -7.211 440 1HB SER 70 2HB SER 70 14.263 -1.615 -9.622 441 2HB SER 70 1HB SER 70 14.625 -1.037 -7.999 442 HG SER 70 HG SER 70 14.444 -3.312 -7.370 443 H TYR 71 H TYR 71 11.725 0.516 -7.808 444 HA TYR 71 HA TYR 71 11.250 1.323 -10.547 445 1HB TYR 71 2HB TYR 71 8.860 1.032 -10.629 446 2HB TYR 71 1HB TYR 71 9.541 -0.512 -10.112 447 HD1 TYR 71 HD1 TYR 71 8.075 2.668 -8.789 448 HD2 TYR 71 HD2 TYR 71 8.875 -1.492 -8.075 449 HE1 TYR 71 HE1 TYR 71 6.721 2.764 -6.712 450 HE2 TYR 71 HE2 TYR 71 7.521 -1.395 -5.998 451 HH TYR 71 HH TYR 71 6.132 1.667 -4.850 452 H THR 72 H THR 72 10.779 3.546 -10.607 453 HA THR 72 HA THR 72 11.231 5.131 -8.306 454 HB THR 72 HB THR 72 9.585 6.048 -10.630 455 HG1 THR 72 HG1 THR 72 12.026 6.256 -11.387 456 1HG2 THR 72 1HG2 THR 72 10.640 8.098 -10.279 457 2HG2 THR 72 2HG2 THR 72 12.043 7.353 -9.516 458 3HG2 THR 72 3HG2 THR 72 10.521 7.472 -8.635 459 H GLY 73 H GLY 73 9.917 5.306 -6.545 460 1HA GLY 73 2HA GLY 73 7.055 4.660 -6.786 461 2HA GLY 73 1HA GLY 73 7.918 5.007 -5.286 462 H SER 74 H SER 74 5.420 6.167 -5.899 463 HA SER 74 HA SER 74 6.077 8.993 -5.591 464 1HB SER 74 2HB SER 74 5.082 7.818 -8.162 465 2HB SER 74 1HB SER 74 4.566 9.440 -7.713 466 HG SER 74 HG SER 74 6.426 9.858 -8.689 467 H THR 75 H THR 75 4.223 10.183 -4.867 468 HA THR 75 HA THR 75 2.171 8.618 -3.571 469 HB THR 75 HB THR 75 1.303 10.922 -3.046 470 HG1 THR 75 HG1 THR 75 1.807 12.181 -4.699 471 1HG2 THR 75 1HG2 THR 75 4.074 11.417 -2.481 472 2HG2 THR 75 2HG2 THR 75 3.749 9.692 -2.317 473 3HG2 THR 75 3HG2 THR 75 2.811 10.857 -1.385 474 HA PRO 76 HA PRO 76 -0.736 8.354 -6.850 475 1HB PRO 76 2HB PRO 76 -3.027 8.080 -5.382 476 2HB PRO 76 1HB PRO 76 -1.834 6.779 -5.568 477 1HG PRO 76 2HG PRO 76 -2.243 8.657 -3.291 478 2HG PRO 76 1HG PRO 76 -1.846 6.931 -3.273 479 1HD PRO 76 2HD PRO 76 0.003 8.890 -2.861 480 2HD PRO 76 1HD PRO 76 0.397 7.307 -3.571 481 H GLU 77 H GLU 77 -0.615 10.953 -4.639 482 HA GLU 77 HA GLU 77 -2.196 12.650 -6.475 483 1HB GLU 77 2HB GLU 77 -3.789 11.523 -4.883 484 2HB GLU 77 1HB GLU 77 -2.947 12.322 -3.555 485 1HG GLU 77 2HG GLU 77 -4.690 13.818 -3.971 486 2HG GLU 77 1HG GLU 77 -3.392 14.502 -4.950 487 H GLY 78 H GLY 78 -0.909 14.444 -6.686 488 1HA GLY 78 2HA GLY 78 -0.223 16.496 -5.305 489 2HA GLY 78 1HA GLY 78 0.636 15.339 -4.289 490 H THR 79 H THR 79 2.361 14.057 -5.364 491 HA THR 79 HA THR 79 3.404 14.854 -7.956 492 HB THR 79 HB THR 79 5.435 15.689 -6.111 493 HG1 THR 79 HG1 THR 79 4.412 17.103 -4.862 494 1HG2 THR 79 1HG2 THR 79 3.712 17.508 -7.783 495 2HG2 THR 79 2HG2 THR 79 4.865 16.402 -8.530 496 3HG2 THR 79 3HG2 THR 79 5.433 17.651 -7.422 497 HA PRO 80 HA PRO 80 5.925 11.300 -7.322 498 1HB PRO 80 2HB PRO 80 8.512 12.003 -7.865 499 2HB PRO 80 1HB PRO 80 7.268 11.837 -9.121 500 1HG PRO 80 2HG PRO 80 8.348 14.297 -7.843 501 2HG PRO 80 1HG PRO 80 7.867 14.014 -9.524 502 1HD PRO 80 2HD PRO 80 6.319 15.349 -7.707 503 2HD PRO 80 1HD PRO 80 5.662 14.476 -9.106 504 H VAL 81 H VAL 81 7.714 10.297 -5.944 505 HA VAL 81 HA VAL 81 8.194 11.935 -3.477 506 HB VAL 81 HB VAL 81 7.499 9.036 -3.905 507 1HG1 VAL 81 1HG1 VAL 81 8.300 10.430 -1.338 508 2HG1 VAL 81 2HG1 VAL 81 9.252 9.208 -2.182 509 3HG1 VAL 81 3HG1 VAL 81 7.701 8.776 -1.461 510 1HG2 VAL 81 1HG2 VAL 81 5.409 9.730 -3.436 511 2HG2 VAL 81 2HG2 VAL 81 5.995 11.393 -3.371 512 3HG2 VAL 81 3HG2 VAL 81 5.968 10.411 -1.909 513 H GLY 82 H GLY 82 9.520 9.647 -5.794 514 1HA GLY 82 2HA GLY 82 12.107 10.242 -5.931 515 2HA GLY 82 1HA GLY 82 12.091 9.544 -4.310 516 H SER 83 H SER 83 13.555 7.876 -5.218 517 HA SER 83 HA SER 83 12.242 5.955 -7.068 518 1HB SER 83 2HB SER 83 15.067 6.107 -6.012 519 2HB SER 83 1HB SER 83 14.509 5.077 -7.327 520 HG SER 83 HG SER 83 15.520 7.193 -7.869 521 H VAL 84 H VAL 84 11.983 3.738 -6.479 522 HA VAL 84 HA VAL 84 12.320 3.159 -3.549 523 HB VAL 84 HB VAL 84 10.101 2.643 -5.527 524 1HG1 VAL 84 1HG1 VAL 84 9.098 1.206 -3.640 525 2HG1 VAL 84 2HG1 VAL 84 10.738 1.101 -3.002 526 3HG1 VAL 84 3HG1 VAL 84 10.373 0.463 -4.605 527 1HG2 VAL 84 1HG2 VAL 84 9.794 4.629 -4.253 528 2HG2 VAL 84 2HG2 VAL 84 10.366 3.862 -2.773 529 3HG2 VAL 84 3HG2 VAL 84 8.796 3.420 -3.444 530 H ASP 85 H ASP 85 12.808 0.921 -3.040 531 HA ASP 85 HA ASP 85 13.592 -0.828 -5.321 532 1HB ASP 85 2HB ASP 85 15.807 -1.155 -4.235 533 2HB ASP 85 1HB ASP 85 15.549 0.526 -4.702 534 H CYS 86 H CYS 86 11.833 -2.198 -4.643 535 HA CYS 86 HA CYS 86 11.568 -3.160 -1.922 536 1HB CYS 86 2HB CYS 86 10.493 -3.993 -4.622 537 2HB CYS 86 1HB CYS 86 10.004 -4.774 -3.121 538 H ALA 87 H ALA 87 14.007 -3.754 -4.070 539 HA ALA 87 HA ALA 87 14.349 -6.527 -4.279 540 1HB ALA 87 1HB ALA 87 16.576 -4.633 -3.530 541 2HB ALA 87 2HB ALA 87 15.765 -4.498 -5.090 542 3HB ALA 87 3HB ALA 87 16.623 -5.981 -4.667 543 H THR 88 H THR 88 15.153 -4.375 -1.589 544 HA THR 88 HA THR 88 15.455 -6.777 0.179 545 HB THR 88 HB THR 88 17.561 -5.582 -0.230 546 HG1 THR 88 HG1 THR 88 16.657 -4.727 2.297 547 1HG2 THR 88 1HG2 THR 88 17.682 -3.168 0.583 548 2HG2 THR 88 2HG2 THR 88 15.919 -3.182 0.591 549 3HG2 THR 88 3HG2 THR 88 16.796 -3.429 -0.920 550 H ALA 89 H ALA 89 13.661 -3.979 -0.528 551 HA ALA 89 HA ALA 89 12.834 -3.387 2.233 552 1HB ALA 89 1HB ALA 89 12.692 -1.438 1.065 553 2HB ALA 89 2HB ALA 89 11.142 -2.063 0.502 554 3HB ALA 89 3HB ALA 89 12.591 -2.278 -0.482 555 H ALA 90 H ALA 90 10.365 -3.315 2.627 556 HA ALA 90 HA ALA 90 9.231 -5.947 1.861 557 1HB ALA 90 1HB ALA 90 7.690 -5.464 3.703 558 2HB ALA 90 2HB ALA 90 8.274 -3.802 3.782 559 3HB ALA 90 3HB ALA 90 9.343 -5.134 4.221 560 H CYS 91 H CYS 91 8.474 -5.602 -0.284 561 HA CYS 91 HA CYS 91 6.817 -3.274 -0.956 562 1HB CYS 91 2HB CYS 91 8.401 -5.163 -2.268 563 2HB CYS 91 1HB CYS 91 6.760 -5.572 -2.760 564 H ASN 92 H ASN 92 4.579 -3.724 -1.961 565 HA ASN 92 HA ASN 92 3.163 -6.138 -1.110 566 1HB ASN 92 2HB ASN 92 1.640 -4.672 0.416 567 2HB ASN 92 1HB ASN 92 3.208 -5.177 1.044 568 1HD2 ASN 92 1HD2 ASN 92 1.282 -2.421 0.143 569 2HD2 ASN 92 2HD2 ASN 92 2.455 -1.237 0.462 570 H LEU 93 H LEU 93 1.504 -6.413 -2.534 571 HA LEU 93 HA LEU 93 0.770 -4.251 -4.384 572 1HB LEU 93 2HB LEU 93 1.104 -6.536 -5.164 573 2HB LEU 93 1HB LEU 93 -0.091 -7.136 -4.013 574 HG LEU 93 HG LEU 93 -1.842 -5.811 -5.131 575 1HD1 LEU 93 1HD1 LEU 93 0.530 -4.895 -6.732 576 2HD1 LEU 93 2HD1 LEU 93 -0.790 -3.943 -6.052 577 3HD1 LEU 93 3HD1 LEU 93 -1.065 -4.934 -7.484 578 1HD2 LEU 93 1HD2 LEU 93 -0.214 -7.532 -7.032 579 2HD2 LEU 93 2HD2 LEU 93 -1.914 -7.108 -7.237 580 3HD2 LEU 93 3HD2 LEU 93 -1.415 -8.124 -5.883 581 H GLY 94 H GLY 94 -1.243 -3.179 -4.409 582 1HA GLY 94 2HA GLY 94 -3.221 -3.979 -2.310 583 2HA GLY 94 1HA GLY 94 -2.736 -2.290 -2.475 584 H ALA 95 H ALA 95 -5.414 -3.540 -2.853 585 HA ALA 95 HA ALA 95 -6.016 -2.312 -5.489 586 1HB ALA 95 1HB ALA 95 -5.582 -5.057 -5.184 587 2HB ALA 95 2HB ALA 95 -6.399 -4.282 -6.541 588 3HB ALA 95 3HB ALA 95 -7.339 -4.896 -5.179 589 H GLY 96 H GLY 96 -7.132 -0.782 -4.019 590 1HA GLY 96 2HA GLY 96 -9.856 -1.735 -3.371 591 2HA GLY 96 1HA GLY 96 -8.917 -1.068 -2.035 592 H ASN 97 H ASN 97 -11.387 -0.019 -3.358 593 HA ASN 97 HA ASN 97 -10.595 2.350 -4.864 594 1HB ASN 97 2HB ASN 97 -12.781 0.965 -4.918 595 2HB ASN 97 1HB ASN 97 -13.222 1.850 -3.457 596 1HD2 ASN 97 1HD2 ASN 97 -15.003 2.840 -4.804 597 2HD2 ASN 97 2HD2 ASN 97 -14.632 4.138 -5.833 598 H SER 98 H SER 98 -11.673 4.521 -3.914 599 HA SER 98 HA SER 98 -10.132 5.313 -1.639 600 1HB SER 98 2HB SER 98 -11.373 6.572 -3.618 601 2HB SER 98 1HB SER 98 -12.670 6.693 -2.434 602 HG SER 98 HG SER 98 -11.001 7.537 -0.988 603 H GLY 99 H GLY 99 -13.268 3.803 -1.909 604 1HA GLY 99 2HA GLY 99 -13.544 3.998 1.059 605 2HA GLY 99 1HA GLY 99 -14.939 4.262 0.012 606 H LEU 100 H LEU 100 -14.473 2.250 -1.904 607 HA LEU 100 HA LEU 100 -15.620 -0.045 -0.658 608 1HB LEU 100 2HB LEU 100 -15.564 0.768 -3.114 609 2HB LEU 100 1HB LEU 100 -14.004 -0.052 -3.208 610 HG LEU 100 HG LEU 100 -15.872 -1.516 -3.948 611 1HD1 LEU 100 1HD1 LEU 100 -13.744 -2.245 -2.542 612 2HD1 LEU 100 2HD1 LEU 100 -15.013 -3.411 -2.919 613 3HD1 LEU 100 3HD1 LEU 100 -14.959 -2.649 -1.329 614 1HD2 LEU 100 1HD2 LEU 100 -17.611 -2.176 -2.457 615 2HD2 LEU 100 2HD2 LEU 100 -17.500 -0.425 -2.281 616 3HD2 LEU 100 3HD2 LEU 100 -16.783 -1.480 -1.063 617 H ASP 101 H ASP 101 -14.325 -0.787 1.103 618 HA ASP 101 HA ASP 101 -11.475 -1.252 0.893 619 1HB ASP 101 2HB ASP 101 -13.720 -1.951 2.765 620 2HB ASP 101 1HB ASP 101 -12.144 -2.711 2.991 621 H LEU 102 H LEU 102 -11.229 -2.552 -1.039 622 HA LEU 102 HA LEU 102 -12.603 -5.117 -1.293 623 1HB LEU 102 2HB LEU 102 -11.804 -3.513 -3.123 624 2HB LEU 102 1HB LEU 102 -10.178 -4.080 -2.782 625 HG LEU 102 HG LEU 102 -12.058 -5.258 -4.534 626 1HD1 LEU 102 1HD1 LEU 102 -10.239 -7.031 -4.674 627 2HD1 LEU 102 2HD1 LEU 102 -9.420 -6.163 -3.378 628 3HD1 LEU 102 3HD1 LEU 102 -9.714 -5.368 -4.923 629 1HD2 LEU 102 1HD2 LEU 102 -13.122 -6.371 -2.579 630 2HD2 LEU 102 2HD2 LEU 102 -11.560 -7.045 -2.119 631 3HD2 LEU 102 3HD2 LEU 102 -12.323 -7.544 -3.626 632 H GLY 103 H GLY 103 -9.061 -4.585 -1.430 633 1HA GLY 103 2HA GLY 103 -8.364 -6.043 0.895 634 2HA GLY 103 1HA GLY 103 -8.465 -7.197 -0.434 635 H HIS 104 H HIS 104 -6.030 -6.939 0.679 636 HA HIS 104 HA HIS 104 -4.459 -5.653 -1.487 637 1HB HIS 104 2HB HIS 104 -3.109 -4.430 0.192 638 2HB HIS 104 1HB HIS 104 -4.802 -3.943 0.267 639 HD1 HIS 104 HD1 HIS 104 -2.099 -5.387 2.282 640 HD2 HIS 104 HD2 HIS 104 -6.259 -5.245 2.478 641 HE1 HIS 104 HE1 HIS 104 -2.727 -6.027 4.651 642 H VAL 105 H VAL 105 -2.635 -6.889 -1.938 643 HA VAL 105 HA VAL 105 -2.041 -9.152 -0.064 644 HB VAL 105 HB VAL 105 -1.543 -8.780 -3.037 645 1HG1 VAL 105 1HG1 VAL 105 -0.142 -10.411 -1.379 646 2HG1 VAL 105 2HG1 VAL 105 -0.488 -10.807 -3.061 647 3HG1 VAL 105 3HG1 VAL 105 -1.500 -11.462 -1.773 648 1HG2 VAL 105 1HG2 VAL 105 -3.826 -9.128 -2.976 649 2HG2 VAL 105 2HG2 VAL 105 -3.763 -9.953 -1.419 650 3HG2 VAL 105 3HG2 VAL 105 -3.294 -10.808 -2.888 651 H ALA 106 H ALA 106 0.227 -9.661 0.300 652 HA ALA 106 HA ALA 106 2.023 -7.289 -0.019 653 1HB ALA 106 1HB ALA 106 1.352 -9.128 2.081 654 2HB ALA 106 2HB ALA 106 2.404 -7.714 2.165 655 3HB ALA 106 3HB ALA 106 3.072 -9.287 1.725 656 H LEU 107 H LEU 107 4.245 -7.683 -0.689 657 HA LEU 107 HA LEU 107 4.622 -10.269 -2.165 658 1HB LEU 107 2HB LEU 107 5.614 -7.497 -2.898 659 2HB LEU 107 1HB LEU 107 5.741 -8.952 -3.886 660 HG LEU 107 HG LEU 107 3.109 -7.774 -2.966 661 1HD1 LEU 107 1HD1 LEU 107 3.686 -7.632 -5.817 662 2HD1 LEU 107 2HD1 LEU 107 4.859 -6.714 -4.871 663 3HD1 LEU 107 3HD1 LEU 107 3.137 -6.361 -4.724 664 1HD2 LEU 107 1HD2 LEU 107 2.837 -9.317 -5.302 665 2HD2 LEU 107 2HD2 LEU 107 2.336 -9.774 -3.673 666 3HD2 LEU 107 3HD2 LEU 107 3.928 -10.238 -4.268 667 H THR 108 H THR 108 7.064 -10.662 -2.573 668 HA THR 108 HA THR 108 8.909 -9.429 -0.643 669 HB THR 108 HB THR 108 8.465 -12.384 -0.416 670 HG1 THR 108 HG1 THR 108 6.443 -11.610 -0.037 671 1HG2 THR 108 1HG2 THR 108 9.003 -10.716 1.947 672 2HG2 THR 108 2HG2 THR 108 10.264 -10.654 0.715 673 3HG2 THR 108 3HG2 THR 108 9.790 -12.202 1.416 674 H PHE 109 H PHE 109 10.412 -9.031 -2.265 675 HA PHE 109 HA PHE 109 11.066 -11.026 -4.299 676 1HB PHE 109 2HB PHE 109 12.167 -8.334 -3.460 677 2HB PHE 109 1HB PHE 109 12.807 -9.244 -4.828 678 HD1 PHE 109 HD1 PHE 109 9.923 -7.347 -3.536 679 HD2 PHE 109 HD2 PHE 109 11.472 -9.621 -6.835 680 HE1 PHE 109 HE1 PHE 109 8.093 -6.490 -4.988 681 HE2 PHE 109 HE2 PHE 109 9.651 -8.770 -8.288 682 HZ PHE 109 HZ PHE 109 7.953 -7.207 -7.371 683 H GLY 110 H GLY 110 11.897 -12.852 -3.117 684 1HA GLY 110 2HA GLY 110 13.942 -14.009 -2.564 685 2HA GLY 110 1HA GLY 110 14.670 -12.460 -2.138 686 2H2' ROM 111 2H2' ROM 111 -9.722 4.929 -5.463 687 2H3' ROM 111 2H3' ROM 111 -8.242 5.513 -8.432 688 H'1 ROM 111 H'1 ROM 111 -3.668 3.732 -9.326 689 3H18 ROM 111 3H18 ROM 111 -3.558 1.612 1.677 690 2H18 ROM 111 2H18 ROM 111 -3.466 0.551 0.353 691 2H23 ROM 111 2H23 ROM 111 -5.526 7.010 -0.568 692 H1' ROM 111 H1' ROM 111 -7.730 6.726 -5.787 693 H2' ROM 111 H2' ROM 111 -10.695 7.003 -6.217 694 H3' ROM 111 H3' ROM 111 -10.098 6.686 -8.575 695 H4' ROM 111 H4' ROM 111 -10.208 8.971 -7.718 696 1H6B ROM 111 1H6B ROM 111 -7.295 10.954 -6.869 697 3H6B ROM 111 3H6B ROM 111 -8.884 10.926 -7.632 698 2H6B ROM 111 2H6B ROM 111 -8.752 10.899 -5.874 699 1H6A ROM 111 1H6A ROM 111 -6.199 9.468 -7.237 700 3H6A ROM 111 3H6A ROM 111 -6.466 7.935 -6.408 701 2H6A ROM 111 2H6A ROM 111 -6.840 8.089 -8.124 702 1H4B ROM 111 1H4B ROM 111 -9.148 7.267 -10.214 703 3H4B ROM 111 3H4B ROM 111 -8.272 8.475 -11.170 704 2H4B ROM 111 2H4B ROM 111 -7.456 7.639 -9.836 705 1H4A ROM 111 1H4A ROM 111 -10.558 9.230 -10.408 706 3H4A ROM 111 3H4A ROM 111 -10.459 10.365 -9.049 707 2H4A ROM 111 2H4A ROM 111 -9.474 10.630 -10.501 708 H'8 ROM 111 H'8 ROM 111 -0.087 5.452 -6.857 709 H'6 ROM 111 H'6 ROM 111 -0.438 7.891 -10.346 710 1H3A ROM 111 1H3A ROM 111 -4.224 6.270 -13.642 711 2H3A ROM 111 2H3A ROM 111 -2.895 5.053 -14.067 712 1H7A ROM 111 1H7A ROM 111 2.131 6.128 -8.775 713 3H7A ROM 111 3H7A ROM 111 2.880 7.407 -7.820 714 2H7A ROM 111 2H7A ROM 111 1.900 6.175 -7.027 715 H3 ROM 111 H3 ROM 111 -4.380 5.582 -5.529 716 H6 ROM 111 H6 ROM 111 -7.022 2.341 -2.903 717 H5 ROM 111 H5 ROM 111 -5.092 1.537 -4.247 718 H12 ROM 111 H12 ROM 111 -4.934 7.941 -4.245 719 H8 ROM 111 H8 ROM 111 -8.816 4.595 -2.949 720 H13 ROM 111 H13 ROM 111 -3.639 2.122 -6.278 721 H10 ROM 111 H10 ROM 111 -8.244 7.906 -1.599 722 H11 ROM 111 H11 ROM 111 -6.062 9.181 -2.286 723 2H14 ROM 111 2H14 ROM 111 -1.524 2.062 -5.277 724 1H14 ROM 111 1H14 ROM 111 -1.690 3.686 -4.599 725 2H17 ROM 111 2H17 ROM 111 -2.612 0.913 -1.524 726 1H17 ROM 111 1H17 ROM 111 -1.075 1.672 -1.113 727 H18 ROM 111 H18 ROM 111 -2.086 3.165 0.404 728 H20 ROM 111 H20 ROM 111 -5.260 1.437 -0.016 729 H24 ROM 111 H24 ROM 111 -3.148 5.066 -0.766 730 4H18 ROM 111 4H18 ROM 111 -2.059 0.966 1.208 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -18.336 -7.160 2.744 2 2H ALA 1 2H ALA 1 -17.804 -6.872 4.331 3 3H ALA 1 3H ALA 1 -17.687 -8.431 3.666 4 HA ALA 1 HA ALA 1 -16.226 -6.077 2.583 5 1HB ALA 1 1HB ALA 1 -15.835 -7.829 4.911 6 2HB ALA 1 2HB ALA 1 -15.083 -6.277 4.541 7 3HB ALA 1 3HB ALA 1 -14.434 -7.761 3.842 8 HA PRO 2 HA PRO 2 -15.815 -9.124 -0.630 9 1HB PRO 2 2HB PRO 2 -14.163 -7.663 -2.245 10 2HB PRO 2 1HB PRO 2 -15.911 -7.373 -2.136 11 1HG PRO 2 2HG PRO 2 -13.667 -5.889 -0.863 12 2HG PRO 2 1HG PRO 2 -15.184 -5.279 -1.544 13 1HD PRO 2 2HD PRO 2 -14.746 -5.599 1.141 14 2HD PRO 2 1HD PRO 2 -16.354 -5.653 0.387 15 H ALA 3 H ALA 3 -13.629 -9.815 -1.960 16 HA ALA 3 HA ALA 3 -11.410 -10.022 0.038 17 1HB ALA 3 1HB ALA 3 -12.937 -12.029 -0.085 18 2HB ALA 3 2HB ALA 3 -11.257 -12.385 -0.486 19 3HB ALA 3 3HB ALA 3 -12.454 -12.220 -1.771 20 H PHE 4 H PHE 4 -9.320 -10.549 -0.987 21 HA PHE 4 HA PHE 4 -9.113 -10.191 -3.917 22 1HB PHE 4 2HB PHE 4 -9.238 -7.905 -3.038 23 2HB PHE 4 1HB PHE 4 -7.971 -8.271 -1.862 24 HD1 PHE 4 HD1 PHE 4 -8.553 -8.558 -5.561 25 HD2 PHE 4 HD2 PHE 4 -5.798 -7.634 -2.399 26 HE1 PHE 4 HE1 PHE 4 -6.819 -7.985 -7.240 27 HE2 PHE 4 HE2 PHE 4 -4.064 -7.062 -4.078 28 HZ PHE 4 HZ PHE 4 -4.574 -7.238 -6.499 29 H SER 5 H SER 5 -7.515 -11.615 -4.564 30 HA SER 5 HA SER 5 -5.106 -11.926 -2.869 31 1HB SER 5 2HB SER 5 -6.646 -14.365 -3.704 32 2HB SER 5 1HB SER 5 -5.471 -14.195 -2.403 33 HG SER 5 HG SER 5 -7.495 -14.210 -1.486 34 H VAL 6 H VAL 6 -3.473 -13.303 -3.966 35 HA VAL 6 HA VAL 6 -3.744 -13.327 -6.953 36 HB VAL 6 HB VAL 6 -2.396 -11.443 -6.046 37 1HG1 VAL 6 1HG1 VAL 6 -0.526 -13.560 -4.985 38 2HG1 VAL 6 2HG1 VAL 6 -1.724 -12.766 -3.979 39 3HG1 VAL 6 3HG1 VAL 6 -0.440 -11.820 -4.725 40 1HG2 VAL 6 1HG2 VAL 6 -0.353 -11.868 -7.350 41 2HG2 VAL 6 2HG2 VAL 6 -1.765 -12.481 -8.213 42 3HG2 VAL 6 3HG2 VAL 6 -0.704 -13.596 -7.354 43 H SER 7 H SER 7 -2.539 -15.130 -7.961 44 HA SER 7 HA SER 7 -2.521 -17.562 -6.490 45 1HB SER 7 2HB SER 7 -1.448 -16.577 -9.097 46 2HB SER 7 1HB SER 7 -0.909 -18.154 -8.527 47 HG SER 7 HG SER 7 -3.051 -17.759 -9.814 48 HA PRO 8 HA PRO 8 2.074 -17.400 -5.668 49 1HB PRO 8 2HB PRO 8 3.784 -15.856 -7.111 50 2HB PRO 8 1HB PRO 8 3.258 -17.461 -7.651 51 1HG PRO 8 2HG PRO 8 2.372 -14.781 -8.556 52 2HG PRO 8 1HG PRO 8 2.547 -16.280 -9.476 53 1HD PRO 8 2HD PRO 8 0.142 -15.254 -8.558 54 2HD PRO 8 1HD PRO 8 0.438 -16.948 -9.004 55 H ALA 9 H ALA 9 3.552 -15.963 -4.375 56 HA ALA 9 HA ALA 9 2.992 -13.090 -4.270 57 1HB ALA 9 1HB ALA 9 2.241 -13.704 -1.707 58 2HB ALA 9 2HB ALA 9 1.565 -15.062 -2.603 59 3HB ALA 9 3HB ALA 9 1.110 -13.412 -3.028 60 H SER 10 H SER 10 5.285 -15.036 -4.355 61 HA SER 10 HA SER 10 7.024 -13.662 -2.470 62 1HB SER 10 2HB SER 10 6.093 -16.493 -1.990 63 2HB SER 10 1HB SER 10 7.588 -15.879 -1.291 64 HG SER 10 HG SER 10 6.447 -14.428 -0.120 65 H GLY 11 H GLY 11 9.284 -14.224 -2.876 66 1HA GLY 11 2HA GLY 11 11.054 -14.848 -4.296 67 2HA GLY 11 1HA GLY 11 10.140 -16.331 -4.577 68 H LEU 12 H LEU 12 9.270 -12.971 -5.330 69 HA LEU 12 HA LEU 12 8.446 -13.743 -8.039 70 1HB LEU 12 2HB LEU 12 8.538 -11.079 -6.592 71 2HB LEU 12 1HB LEU 12 7.668 -11.406 -8.091 72 HG LEU 12 HG LEU 12 7.149 -12.677 -5.392 73 1HD1 LEU 12 1HD1 LEU 12 6.333 -10.295 -5.912 74 2HD1 LEU 12 2HD1 LEU 12 5.109 -11.459 -5.404 75 3HD1 LEU 12 3HD1 LEU 12 5.276 -11.043 -7.110 76 1HD2 LEU 12 1HD2 LEU 12 5.110 -13.541 -6.846 77 2HD2 LEU 12 2HD2 LEU 12 6.640 -14.416 -6.848 78 3HD2 LEU 12 3HD2 LEU 12 6.248 -13.326 -8.177 79 H SER 13 H SER 13 9.082 -11.411 -9.429 80 HA SER 13 HA SER 13 11.958 -10.870 -9.300 81 1HB SER 13 2HB SER 13 10.792 -12.471 -11.594 82 2HB SER 13 1HB SER 13 12.475 -11.979 -11.421 83 HG SER 13 HG SER 13 12.705 -13.365 -9.742 84 H ASP 14 H ASP 14 12.485 -9.044 -10.625 85 HA ASP 14 HA ASP 14 10.378 -7.242 -11.287 86 1HB ASP 14 2HB ASP 14 12.200 -5.953 -12.317 87 2HB ASP 14 1HB ASP 14 12.755 -6.675 -10.805 88 H GLY 15 H GLY 15 9.099 -7.116 -13.091 89 1HA GLY 15 2HA GLY 15 8.646 -7.245 -15.454 90 2HA GLY 15 1HA GLY 15 10.024 -8.336 -15.622 91 H GLN 16 H GLN 16 9.142 -9.905 -13.259 92 HA GLN 16 HA GLN 16 7.683 -11.965 -14.563 93 1HB GLN 16 2HB GLN 16 9.112 -12.175 -12.538 94 2HB GLN 16 1HB GLN 16 7.901 -11.284 -11.614 95 1HG GLN 16 2HG GLN 16 6.225 -13.066 -12.310 96 2HG GLN 16 1HG GLN 16 7.593 -13.994 -12.922 97 1HE2 GLN 16 1HE2 GLN 16 5.793 -14.620 -10.595 98 2HE2 GLN 16 2HE2 GLN 16 6.828 -14.774 -9.263 99 H SER 17 H SER 17 5.449 -12.536 -14.468 100 HA SER 17 HA SER 17 3.625 -10.357 -13.501 101 1HB SER 17 2HB SER 17 2.458 -10.561 -15.484 102 2HB SER 17 1HB SER 17 4.049 -11.057 -16.053 103 HG SER 17 HG SER 17 1.954 -12.444 -16.316 104 H VAL 18 H VAL 18 2.127 -10.996 -12.006 105 HA VAL 18 HA VAL 18 1.857 -13.918 -11.440 106 HB VAL 18 HB VAL 18 1.040 -13.045 -9.237 107 1HG1 VAL 18 1HG1 VAL 18 3.208 -13.110 -8.632 108 2HG1 VAL 18 2HG1 VAL 18 3.469 -11.506 -9.320 109 3HG1 VAL 18 3HG1 VAL 18 3.663 -12.941 -10.328 110 1HG2 VAL 18 1HG2 VAL 18 2.001 -10.319 -9.738 111 2HG2 VAL 18 2HG2 VAL 18 0.524 -10.854 -8.937 112 3HG2 VAL 18 3HG2 VAL 18 0.576 -10.723 -10.696 113 H SER 19 H SER 19 -0.411 -14.579 -10.725 114 HA SER 19 HA SER 19 -2.421 -13.333 -12.546 115 1HB SER 19 2HB SER 19 -2.438 -15.929 -10.981 116 2HB SER 19 1HB SER 19 -3.585 -15.471 -12.236 117 HG SER 19 HG SER 19 -1.989 -16.764 -13.137 118 H VAL 20 H VAL 20 -3.283 -11.587 -11.355 119 HA VAL 20 HA VAL 20 -3.905 -11.901 -8.502 120 HB VAL 20 HB VAL 20 -4.492 -9.720 -10.526 121 1HG1 VAL 20 1HG1 VAL 20 -5.985 -9.362 -8.736 122 2HG1 VAL 20 2HG1 VAL 20 -4.588 -8.372 -8.309 123 3HG1 VAL 20 3HG1 VAL 20 -4.827 -9.941 -7.538 124 1HG2 VAL 20 1HG2 VAL 20 -2.544 -8.612 -9.555 125 2HG2 VAL 20 2HG2 VAL 20 -2.074 -10.206 -10.142 126 3HG2 VAL 20 3HG2 VAL 20 -2.323 -9.941 -8.417 127 H SER 21 H SER 21 -6.166 -11.245 -7.790 128 HA SER 21 HA SER 21 -8.374 -11.770 -9.620 129 1HB SER 21 2HB SER 21 -8.933 -13.910 -8.878 130 2HB SER 21 1HB SER 21 -7.172 -13.982 -8.895 131 HG SER 21 HG SER 21 -8.620 -14.537 -6.882 132 H VAL 22 H VAL 22 -10.224 -10.842 -8.791 133 HA VAL 22 HA VAL 22 -10.167 -10.010 -5.930 134 HB VAL 22 HB VAL 22 -11.318 -8.570 -8.330 135 1HG1 VAL 22 1HG1 VAL 22 -12.481 -7.703 -6.521 136 2HG1 VAL 22 2HG1 VAL 22 -11.059 -6.659 -6.509 137 3HG1 VAL 22 3HG1 VAL 22 -11.164 -8.018 -5.391 138 1HG2 VAL 22 1HG2 VAL 22 -9.073 -7.286 -6.997 139 2HG2 VAL 22 2HG2 VAL 22 -9.286 -7.659 -8.708 140 3HG2 VAL 22 3HG2 VAL 22 -8.620 -8.874 -7.618 141 H SER 23 H SER 23 -12.392 -9.691 -5.034 142 HA SER 23 HA SER 23 -14.666 -10.829 -6.489 143 1HB SER 23 2HB SER 23 -13.728 -12.293 -4.028 144 2HB SER 23 1HB SER 23 -14.821 -12.860 -5.287 145 HG SER 23 HG SER 23 -12.014 -12.540 -5.341 146 H GLY 24 H GLY 24 -16.606 -10.985 -4.890 147 1HA GLY 24 2HA GLY 24 -17.800 -10.183 -2.984 148 2HA GLY 24 1HA GLY 24 -16.346 -9.334 -2.460 149 H ALA 25 H ALA 25 -15.930 -8.039 -5.071 150 HA ALA 25 HA ALA 25 -17.357 -5.611 -4.661 151 1HB ALA 25 1HB ALA 25 -16.338 -6.552 -7.325 152 2HB ALA 25 2HB ALA 25 -15.212 -6.267 -6.002 153 3HB ALA 25 3HB ALA 25 -16.217 -4.948 -6.607 154 H ALA 26 H ALA 26 -18.001 -5.674 -7.786 155 HA ALA 26 HA ALA 26 -20.371 -7.354 -7.987 156 1HB ALA 26 1HB ALA 26 -21.797 -5.953 -6.940 157 2HB ALA 26 2HB ALA 26 -21.445 -4.732 -8.163 158 3HB ALA 26 3HB ALA 26 -20.495 -4.794 -6.680 159 H ALA 27 H ALA 27 -20.789 -7.647 -10.135 160 HA ALA 27 HA ALA 27 -19.205 -6.605 -12.215 161 1HB ALA 27 1HB ALA 27 -21.965 -7.249 -12.957 162 2HB ALA 27 2HB ALA 27 -21.264 -8.433 -11.856 163 3HB ALA 27 3HB ALA 27 -20.471 -8.078 -13.390 164 H GLY 28 H GLY 28 -19.245 -4.672 -13.297 165 1HA GLY 28 2HA GLY 28 -20.494 -2.872 -14.394 166 2HA GLY 28 1HA GLY 28 -21.687 -2.993 -13.104 167 H GLU 29 H GLU 29 -18.561 -3.296 -11.875 168 HA GLU 29 HA GLU 29 -18.442 -0.366 -11.244 169 1HB GLU 29 2HB GLU 29 -17.919 -2.738 -9.425 170 2HB GLU 29 1HB GLU 29 -17.825 -1.039 -8.958 171 1HG GLU 29 2HG GLU 29 -20.368 -1.726 -10.245 172 2HG GLU 29 1HG GLU 29 -20.082 -2.630 -8.758 173 H THR 30 H THR 30 -16.299 0.481 -11.035 174 HA THR 30 HA THR 30 -14.108 -1.379 -11.904 175 HB THR 30 HB THR 30 -14.033 1.547 -12.486 176 HG1 THR 30 HG1 THR 30 -15.503 1.408 -14.060 177 1HG2 THR 30 1HG2 THR 30 -13.516 -0.240 -14.687 178 2HG2 THR 30 2HG2 THR 30 -12.630 -0.779 -13.259 179 3HG2 THR 30 3HG2 THR 30 -12.404 0.860 -13.870 180 H TYR 31 H TYR 31 -12.263 -1.330 -10.676 181 HA TYR 31 HA TYR 31 -12.017 0.776 -8.550 182 1HB TYR 31 2HB TYR 31 -11.169 -2.141 -8.483 183 2HB TYR 31 1HB TYR 31 -11.144 -1.009 -7.130 184 HD1 TYR 31 HD1 TYR 31 -13.483 0.221 -6.709 185 HD2 TYR 31 HD2 TYR 31 -13.016 -3.566 -8.660 186 HE1 TYR 31 HE1 TYR 31 -15.825 -0.334 -6.170 187 HE2 TYR 31 HE2 TYR 31 -15.372 -4.121 -8.117 188 HH TYR 31 HH TYR 31 -17.562 -2.569 -7.599 189 H TYR 32 H TYR 32 -9.573 0.947 -7.827 190 HA TYR 32 HA TYR 32 -7.884 0.700 -10.304 191 1HB TYR 32 2HB TYR 32 -7.635 2.616 -7.955 192 2HB TYR 32 1HB TYR 32 -6.752 2.699 -9.480 193 HD1 TYR 32 HD1 TYR 32 -7.594 3.997 -11.234 194 HD2 TYR 32 HD2 TYR 32 -10.259 2.650 -8.143 195 HE1 TYR 32 HE1 TYR 32 -9.426 5.346 -12.223 196 HE2 TYR 32 HE2 TYR 32 -12.090 3.995 -9.131 197 HH TYR 32 HH TYR 32 -12.122 6.206 -10.675 198 H ILE 33 H ILE 33 -5.940 -0.401 -10.113 199 HA ILE 33 HA ILE 33 -5.130 -1.310 -7.362 200 HB ILE 33 HB ILE 33 -6.206 -3.080 -8.690 201 1HG1 ILE 33 2HG1 ILE 33 -3.213 -3.550 -8.711 202 2HG1 ILE 33 1HG1 ILE 33 -4.161 -3.521 -7.219 203 1HG2 ILE 33 1HG2 ILE 33 -4.947 -3.828 -10.789 204 2HG2 ILE 33 2HG2 ILE 33 -4.114 -2.274 -10.725 205 3HG2 ILE 33 3HG2 ILE 33 -5.865 -2.329 -10.934 206 1HD1 ILE 33 1HD1 ILE 33 -4.092 -5.553 -9.376 207 2HD1 ILE 33 2HD1 ILE 33 -5.686 -5.190 -8.714 208 3HD1 ILE 33 3HD1 ILE 33 -4.397 -5.753 -7.651 209 H ALA 34 H ALA 34 -2.815 -1.569 -7.064 210 HA ALA 34 HA ALA 34 -0.923 -0.955 -9.198 211 1HB ALA 34 1HB ALA 34 -1.656 1.130 -7.122 212 2HB ALA 34 2HB ALA 34 -1.854 1.263 -8.869 213 3HB ALA 34 3HB ALA 34 -0.238 1.244 -8.164 214 H GLN 35 H GLN 35 1.311 -1.129 -8.424 215 HA GLN 35 HA GLN 35 1.503 -2.630 -5.859 216 1HB GLN 35 2HB GLN 35 2.426 -3.388 -8.134 217 2HB GLN 35 1HB GLN 35 3.644 -2.126 -7.936 218 1HG GLN 35 2HG GLN 35 4.333 -3.124 -5.785 219 2HG GLN 35 1HG GLN 35 3.126 -4.393 -5.989 220 1HE2 GLN 35 1HE2 GLN 35 6.379 -3.640 -6.570 221 2HE2 GLN 35 2HE2 GLN 35 6.703 -4.831 -7.736 222 H CYS 36 H CYS 36 2.490 -1.733 -4.068 223 HA CYS 36 HA CYS 36 4.128 0.729 -4.483 224 1HB CYS 36 2HB CYS 36 2.330 0.592 -2.099 225 2HB CYS 36 1HB CYS 36 2.819 1.994 -3.039 226 H ALA 37 H ALA 37 5.370 1.261 -2.432 227 HA ALA 37 HA ALA 37 5.906 -1.059 -0.652 228 1HB ALA 37 1HB ALA 37 8.301 -0.996 -1.265 229 2HB ALA 37 2HB ALA 37 7.973 0.287 -2.431 230 3HB ALA 37 3HB ALA 37 7.310 -1.328 -2.686 231 HA PRO 38 HA PRO 38 6.431 2.309 2.141 232 1HB PRO 38 2HB PRO 38 7.971 1.105 4.057 233 2HB PRO 38 1HB PRO 38 6.235 0.800 3.868 234 1HG PRO 38 2HG PRO 38 8.550 -0.834 2.950 235 2HG PRO 38 1HG PRO 38 7.002 -1.357 3.634 236 1HD PRO 38 2HD PRO 38 7.556 -1.440 0.963 237 2HD PRO 38 1HD PRO 38 5.914 -1.223 1.612 238 H VAL 39 H VAL 39 8.165 3.711 3.032 239 HA VAL 39 HA VAL 39 10.875 3.239 1.889 240 HB VAL 39 HB VAL 39 9.150 5.673 1.436 241 1HG1 VAL 39 1HG1 VAL 39 12.030 5.040 0.866 242 2HG1 VAL 39 2HG1 VAL 39 11.332 6.517 1.531 243 3HG1 VAL 39 3HG1 VAL 39 11.145 6.147 -0.183 244 1HG2 VAL 39 1HG2 VAL 39 8.343 4.199 -0.144 245 2HG2 VAL 39 2HG2 VAL 39 9.829 3.250 -0.163 246 3HG2 VAL 39 3HG2 VAL 39 9.754 4.790 -1.022 247 H GLY 40 H GLY 40 10.914 2.920 4.403 248 1HA GLY 40 2HA GLY 40 11.939 3.760 6.355 249 2HA GLY 40 1HA GLY 40 12.114 5.314 5.541 250 H GLY 41 H GLY 41 8.964 4.794 5.056 251 1HA GLY 41 2HA GLY 41 7.522 4.890 7.392 252 2HA GLY 41 1HA GLY 41 8.182 6.519 7.268 253 H GLN 42 H GLN 42 8.060 6.918 4.488 254 HA GLN 42 HA GLN 42 5.169 7.370 4.159 255 1HB GLN 42 2HB GLN 42 7.634 8.505 3.281 256 2HB GLN 42 1HB GLN 42 6.731 8.030 1.841 257 1HG GLN 42 2HG GLN 42 4.932 9.431 2.338 258 2HG GLN 42 1HG GLN 42 5.314 9.474 4.060 259 1HE2 GLN 42 1HE2 GLN 42 7.788 10.397 4.349 260 2HE2 GLN 42 2HE2 GLN 42 8.060 11.850 3.515 261 H ASP 43 H ASP 43 3.993 6.649 2.243 262 HA ASP 43 HA ASP 43 4.963 4.002 1.238 263 1HB ASP 43 2HB ASP 43 2.199 5.244 1.402 264 2HB ASP 43 1HB ASP 43 2.548 3.598 0.875 265 H ALA 44 H ALA 44 5.926 4.285 -0.754 266 HA ALA 44 HA ALA 44 4.719 6.267 -2.647 267 1HB ALA 44 1HB ALA 44 6.879 6.499 -3.503 268 2HB ALA 44 2HB ALA 44 7.345 4.864 -3.034 269 3HB ALA 44 3HB ALA 44 7.224 6.131 -1.813 270 H CYS 45 H CYS 45 3.424 5.367 -4.216 271 HA CYS 45 HA CYS 45 3.746 2.479 -4.832 272 1HB CYS 45 2HB CYS 45 1.561 3.749 -4.185 273 2HB CYS 45 1HB CYS 45 1.587 4.297 -5.861 274 H ASN 46 H ASN 46 3.144 2.057 -7.307 275 HA ASN 46 HA ASN 46 5.094 3.637 -8.892 276 1HB ASN 46 2HB ASN 46 5.066 1.669 -10.328 277 2HB ASN 46 1HB ASN 46 5.208 1.140 -8.654 278 1HD2 ASN 46 1HD2 ASN 46 2.664 1.786 -11.131 279 2HD2 ASN 46 2HD2 ASN 46 1.633 0.552 -10.594 280 HA PRO 47 HA PRO 47 1.650 5.281 -11.150 281 1HB PRO 47 2HB PRO 47 3.102 6.970 -12.723 282 2HB PRO 47 1HB PRO 47 2.794 7.295 -11.006 283 1HG PRO 47 2HG PRO 47 5.283 6.482 -12.326 284 2HG PRO 47 1HG PRO 47 5.041 7.249 -10.751 285 1HD PRO 47 2HD PRO 47 5.549 4.472 -11.307 286 2HD PRO 47 1HD PRO 47 5.319 5.255 -9.729 287 H ALA 48 H ALA 48 3.953 3.130 -12.229 288 HA ALA 48 HA ALA 48 3.359 3.308 -15.109 289 1HB ALA 48 1HB ALA 48 5.119 1.568 -13.380 290 2HB ALA 48 2HB ALA 48 5.627 2.888 -14.433 291 3HB ALA 48 3HB ALA 48 5.009 1.390 -15.131 292 H THR 49 H THR 49 3.137 0.714 -12.633 293 HA THR 49 HA THR 49 1.305 -0.799 -14.381 294 HB THR 49 HB THR 49 1.456 -2.444 -12.487 295 HG1 THR 49 HG1 THR 49 3.040 -1.889 -10.883 296 1HG2 THR 49 1HG2 THR 49 3.615 -3.134 -13.052 297 2HG2 THR 49 2HG2 THR 49 4.221 -1.480 -13.148 298 3HG2 THR 49 3HG2 THR 49 3.173 -2.111 -14.419 299 H ALA 50 H ALA 50 0.066 1.578 -13.801 300 HA ALA 50 HA ALA 50 -1.845 1.005 -11.569 301 1HB ALA 50 1HB ALA 50 -1.570 3.544 -13.189 302 2HB ALA 50 2HB ALA 50 -0.468 3.185 -11.860 303 3HB ALA 50 3HB ALA 50 -2.195 3.359 -11.550 304 H THR 51 H THR 51 -3.340 -0.413 -12.603 305 HA THR 51 HA THR 51 -4.670 0.699 -15.059 306 HB THR 51 HB THR 51 -4.605 -1.399 -16.000 307 HG1 THR 51 HG1 THR 51 -4.857 -2.409 -13.365 308 1HG2 THR 51 1HG2 THR 51 -2.587 -2.564 -15.536 309 2HG2 THR 51 2HG2 THR 51 -2.592 -2.060 -13.846 310 3HG2 THR 51 3HG2 THR 51 -2.247 -0.886 -15.114 311 H SER 52 H SER 52 -6.919 0.589 -15.155 312 HA SER 52 HA SER 52 -8.300 0.130 -12.546 313 1HB SER 52 2HB SER 52 -8.434 2.038 -14.721 314 2HB SER 52 1HB SER 52 -10.009 1.282 -14.497 315 HG SER 52 HG SER 52 -10.118 2.737 -12.954 316 H PHE 53 H PHE 53 -9.542 -1.721 -12.391 317 HA PHE 53 HA PHE 53 -10.375 -3.025 -14.978 318 1HB PHE 53 2HB PHE 53 -9.930 -5.152 -13.861 319 2HB PHE 53 1HB PHE 53 -8.506 -4.120 -13.742 320 HD1 PHE 53 HD1 PHE 53 -11.285 -5.665 -11.909 321 HD2 PHE 53 HD2 PHE 53 -7.911 -3.021 -11.622 322 HE1 PHE 53 HE1 PHE 53 -11.384 -5.801 -9.433 323 HE2 PHE 53 HE2 PHE 53 -8.012 -3.157 -9.149 324 HZ PHE 53 HZ PHE 53 -9.748 -4.546 -8.055 325 H THR 54 H THR 54 -12.391 -4.156 -14.946 326 HA THR 54 HA THR 54 -14.258 -3.246 -12.792 327 HB THR 54 HB THR 54 -14.742 -4.191 -15.639 328 HG1 THR 54 HG1 THR 54 -14.399 -2.200 -16.161 329 1HG2 THR 54 1HG2 THR 54 -16.881 -2.635 -14.666 330 2HG2 THR 54 2HG2 THR 54 -16.495 -3.782 -13.382 331 3HG2 THR 54 3HG2 THR 54 -16.888 -4.366 -14.998 332 H THR 55 H THR 55 -15.543 -4.825 -11.744 333 HA THR 55 HA THR 55 -14.478 -7.513 -11.614 334 HB THR 55 HB THR 55 -16.769 -7.741 -10.316 335 HG1 THR 55 HG1 THR 55 -17.813 -5.954 -10.989 336 1HG2 THR 55 1HG2 THR 55 -15.407 -5.843 -8.747 337 2HG2 THR 55 2HG2 THR 55 -14.169 -6.621 -9.726 338 3HG2 THR 55 3HG2 THR 55 -15.219 -7.592 -8.694 339 H ASP 56 H ASP 56 -16.124 -9.411 -11.777 340 HA ASP 56 HA ASP 56 -17.290 -9.337 -14.518 341 1HB ASP 56 2HB ASP 56 -15.535 -11.020 -13.536 342 2HB ASP 56 1HB ASP 56 -16.937 -11.756 -12.759 343 H ALA 57 H ALA 57 -19.172 -11.345 -14.319 344 HA ALA 57 HA ALA 57 -21.442 -10.038 -13.201 345 1HB ALA 57 1HB ALA 57 -22.587 -11.953 -13.958 346 2HB ALA 57 2HB ALA 57 -21.225 -13.014 -13.594 347 3HB ALA 57 3HB ALA 57 -21.151 -11.928 -14.981 348 H SER 58 H SER 58 -19.251 -12.462 -11.873 349 HA SER 58 HA SER 58 -20.867 -12.698 -9.403 350 1HB SER 58 2HB SER 58 -19.474 -14.489 -10.807 351 2HB SER 58 1HB SER 58 -18.154 -13.912 -9.792 352 HG SER 58 HG SER 58 -19.821 -14.238 -8.032 353 H GLY 59 H GLY 59 -19.387 -10.161 -10.251 354 1HA GLY 59 2HA GLY 59 -18.096 -8.497 -9.208 355 2HA GLY 59 1HA GLY 59 -18.503 -9.308 -7.693 356 H ALA 60 H ALA 60 -16.848 -11.061 -10.213 357 HA ALA 60 HA ALA 60 -14.393 -11.087 -8.496 358 1HB ALA 60 1HB ALA 60 -15.967 -13.075 -10.019 359 2HB ALA 60 2HB ALA 60 -15.000 -13.289 -8.559 360 3HB ALA 60 3HB ALA 60 -14.217 -13.256 -10.139 361 H ALA 61 H ALA 61 -12.704 -9.970 -9.373 362 HA ALA 61 HA ALA 61 -12.556 -9.736 -12.370 363 1HB ALA 61 1HB ALA 61 -12.419 -7.525 -11.954 364 2HB ALA 61 2HB ALA 61 -10.943 -7.801 -11.029 365 3HB ALA 61 3HB ALA 61 -12.511 -7.840 -10.222 366 H SER 62 H SER 62 -11.132 -11.427 -12.888 367 HA SER 62 HA SER 62 -8.555 -11.542 -11.382 368 1HB SER 62 2HB SER 62 -10.306 -13.526 -12.774 369 2HB SER 62 1HB SER 62 -8.583 -13.866 -12.646 370 HG SER 62 HG SER 62 -9.485 -14.683 -10.819 371 H PHE 63 H PHE 63 -6.639 -11.285 -12.519 372 HA PHE 63 HA PHE 63 -6.540 -11.516 -15.413 373 1HB PHE 63 2HB PHE 63 -6.120 -9.066 -15.757 374 2HB PHE 63 1HB PHE 63 -7.755 -9.415 -15.197 375 HD1 PHE 63 HD1 PHE 63 -4.451 -8.100 -14.240 376 HD2 PHE 63 HD2 PHE 63 -8.485 -8.815 -12.947 377 HE1 PHE 63 HE1 PHE 63 -4.065 -6.650 -12.268 378 HE2 PHE 63 HE2 PHE 63 -8.098 -7.361 -10.972 379 HZ PHE 63 HZ PHE 63 -5.892 -6.284 -10.630 380 H SER 64 H SER 64 -4.322 -10.595 -16.193 381 HA SER 64 HA SER 64 -2.271 -11.504 -14.264 382 1HB SER 64 2HB SER 64 -0.901 -10.994 -16.487 383 2HB SER 64 1HB SER 64 -1.904 -12.435 -16.354 384 HG SER 64 HG SER 64 -2.097 -10.538 -18.133 385 H PHE 65 H PHE 65 -0.671 -10.177 -13.433 386 HA PHE 65 HA PHE 65 -0.626 -7.310 -14.242 387 1HB PHE 65 2HB PHE 65 -2.073 -7.465 -12.307 388 2HB PHE 65 1HB PHE 65 -0.921 -8.511 -11.477 389 HD1 PHE 65 HD1 PHE 65 1.027 -7.618 -10.379 390 HD2 PHE 65 HD2 PHE 65 -1.547 -5.065 -12.681 391 HE1 PHE 65 HE1 PHE 65 2.159 -5.626 -9.439 392 HE2 PHE 65 HE2 PHE 65 -0.413 -3.073 -11.741 393 HZ PHE 65 HZ PHE 65 1.443 -3.353 -10.118 394 H VAL 66 H VAL 66 1.482 -6.689 -14.591 395 HA VAL 66 HA VAL 66 3.656 -8.532 -13.881 396 HB VAL 66 HB VAL 66 3.734 -5.780 -15.146 397 1HG1 VAL 66 1HG1 VAL 66 5.956 -6.270 -14.838 398 2HG1 VAL 66 2HG1 VAL 66 5.708 -7.216 -16.306 399 3HG1 VAL 66 3HG1 VAL 66 5.666 -8.005 -14.728 400 1HG2 VAL 66 1HG2 VAL 66 3.027 -6.667 -17.128 401 2HG2 VAL 66 2HG2 VAL 66 2.295 -7.907 -16.111 402 3HG2 VAL 66 3HG2 VAL 66 3.868 -8.191 -16.853 403 H VAL 67 H VAL 67 5.646 -7.603 -12.806 404 HA VAL 67 HA VAL 67 4.981 -5.504 -10.780 405 HB VAL 67 HB VAL 67 6.324 -7.078 -9.204 406 1HG1 VAL 67 1HG1 VAL 67 3.659 -6.717 -9.641 407 2HG1 VAL 67 2HG1 VAL 67 4.316 -7.746 -8.370 408 3HG1 VAL 67 3HG1 VAL 67 3.804 -8.454 -9.902 409 1HG2 VAL 67 1HG2 VAL 67 5.324 -9.300 -10.925 410 2HG2 VAL 67 2HG2 VAL 67 6.724 -9.254 -9.854 411 3HG2 VAL 67 3HG2 VAL 67 6.807 -8.498 -11.444 412 H ARG 68 H ARG 68 7.239 -5.120 -9.501 413 HA ARG 68 HA ARG 68 9.593 -5.293 -11.278 414 1HB ARG 68 2HB ARG 68 7.874 -2.922 -10.920 415 2HB ARG 68 1HB ARG 68 9.597 -2.610 -10.714 416 1HG ARG 68 2HG ARG 68 10.096 -3.114 -12.901 417 2HG ARG 68 1HG ARG 68 8.793 -4.295 -13.035 418 1HD ARG 68 2HD ARG 68 7.204 -2.687 -13.563 419 2HD ARG 68 1HD ARG 68 8.059 -1.408 -12.676 420 HE ARG 68 HE ARG 68 9.873 -1.893 -14.586 421 1HH1 ARG 68 1HH1 ARG 68 6.817 -2.916 -15.407 422 2HH1 ARG 68 2HH1 ARG 68 6.623 -1.863 -16.769 423 1HH2 ARG 68 1HH2 ARG 68 9.475 -0.014 -16.081 424 2HH2 ARG 68 2HH2 ARG 68 8.128 -0.220 -17.151 425 H LYS 69 H LYS 69 10.824 -6.264 -9.653 426 HA LYS 69 HA LYS 69 10.839 -6.004 -6.923 427 1HB LYS 69 2HB LYS 69 12.357 -7.416 -8.252 428 2HB LYS 69 1HB LYS 69 13.235 -5.982 -8.785 429 1HG LYS 69 2HG LYS 69 14.117 -5.571 -6.641 430 2HG LYS 69 1HG LYS 69 12.902 -6.576 -5.849 431 1HD LYS 69 2HD LYS 69 14.578 -8.127 -5.823 432 2HD LYS 69 1HD LYS 69 14.062 -8.412 -7.486 433 1HE LYS 69 2HE LYS 69 15.735 -6.397 -7.994 434 2HE LYS 69 1HE LYS 69 16.480 -6.959 -6.483 435 1HZ LYS 69 1HZ LYS 69 15.651 -8.880 -8.563 436 2HZ LYS 69 2HZ LYS 69 16.790 -9.084 -7.318 437 3HZ LYS 69 3HZ LYS 69 17.158 -8.109 -8.661 438 H SER 70 H SER 70 12.776 -3.854 -9.053 439 HA SER 70 HA SER 70 12.711 -1.798 -6.857 440 1HB SER 70 2HB SER 70 14.735 -2.287 -9.063 441 2HB SER 70 1HB SER 70 14.883 -1.092 -7.777 442 HG SER 70 HG SER 70 15.313 -3.803 -7.745 443 H TYR 71 H TYR 71 12.032 0.283 -7.430 444 HA TYR 71 HA TYR 71 11.872 1.199 -10.191 445 1HB TYR 71 2HB TYR 71 9.473 1.082 -10.431 446 2HB TYR 71 1HB TYR 71 10.017 -0.518 -9.927 447 HD1 TYR 71 HD1 TYR 71 8.176 2.496 -8.953 448 HD2 TYR 71 HD2 TYR 71 9.685 -1.292 -7.607 449 HE1 TYR 71 HE1 TYR 71 6.718 2.626 -6.951 450 HE2 TYR 71 HE2 TYR 71 8.228 -1.164 -5.604 451 HH TYR 71 HH TYR 71 6.403 1.738 -4.846 452 H THR 72 H THR 72 11.420 3.453 -10.249 453 HA THR 72 HA THR 72 11.916 4.992 -7.907 454 HB THR 72 HB THR 72 10.330 6.084 -10.187 455 HG1 THR 72 HG1 THR 72 13.057 5.484 -10.489 456 1HG2 THR 72 1HG2 THR 72 11.109 7.801 -8.845 457 2HG2 THR 72 2HG2 THR 72 12.440 7.668 -9.993 458 3HG2 THR 72 3HG2 THR 72 12.572 6.924 -8.400 459 H GLY 73 H GLY 73 10.568 5.407 -6.199 460 1HA GLY 73 2HA GLY 73 7.717 4.717 -6.386 461 2HA GLY 73 1HA GLY 73 8.560 5.257 -4.933 462 H SER 74 H SER 74 6.066 6.332 -5.577 463 HA SER 74 HA SER 74 6.581 9.153 -5.514 464 1HB SER 74 2HB SER 74 5.603 9.588 -7.839 465 2HB SER 74 1HB SER 74 7.235 8.923 -7.801 466 HG SER 74 HG SER 74 4.797 7.505 -8.178 467 H THR 75 H THR 75 4.865 9.748 -4.243 468 HA THR 75 HA THR 75 2.534 8.393 -3.646 469 HB THR 75 HB THR 75 1.601 10.765 -3.303 470 HG1 THR 75 HG1 THR 75 4.050 11.868 -3.684 471 1HG2 THR 75 1HG2 THR 75 4.034 9.538 -2.153 472 2HG2 THR 75 2HG2 THR 75 2.579 10.125 -1.345 473 3HG2 THR 75 3HG2 THR 75 3.841 11.260 -1.825 474 HA PRO 76 HA PRO 76 -0.127 8.367 -7.122 475 1HB PRO 76 2HB PRO 76 -2.559 9.091 -6.091 476 2HB PRO 76 1HB PRO 76 -1.817 7.500 -5.820 477 1HG PRO 76 2HG PRO 76 -1.855 9.895 -4.041 478 2HG PRO 76 1HG PRO 76 -2.074 8.184 -3.633 479 1HD PRO 76 2HD PRO 76 0.266 9.470 -3.215 480 2HD PRO 76 1HD PRO 76 0.195 7.748 -3.650 481 H GLU 77 H GLU 77 0.588 11.260 -5.545 482 HA GLU 77 HA GLU 77 -1.014 12.934 -7.418 483 1HB GLU 77 2HB GLU 77 -0.500 13.154 -4.775 484 2HB GLU 77 1HB GLU 77 0.856 14.089 -5.409 485 1HG GLU 77 2HG GLU 77 -0.514 15.709 -6.345 486 2HG GLU 77 1HG GLU 77 -1.873 14.600 -6.531 487 H GLY 78 H GLY 78 0.982 15.103 -7.290 488 1HA GLY 78 2HA GLY 78 2.852 14.034 -9.350 489 2HA GLY 78 1HA GLY 78 2.422 15.734 -9.154 490 H THR 79 H THR 79 2.951 14.216 -6.172 491 HA THR 79 HA THR 79 5.516 15.668 -5.858 492 HB THR 79 HB THR 79 4.169 14.093 -3.700 493 HG1 THR 79 HG1 THR 79 2.365 15.057 -4.120 494 1HG2 THR 79 1HG2 THR 79 4.817 16.908 -3.269 495 2HG2 THR 79 2HG2 THR 79 6.206 15.973 -3.822 496 3HG2 THR 79 3HG2 THR 79 5.339 15.487 -2.365 497 HA PRO 80 HA PRO 80 7.573 11.746 -6.430 498 1HB PRO 80 2HB PRO 80 10.117 12.726 -6.282 499 2HB PRO 80 1HB PRO 80 9.108 12.880 -7.733 500 1HG PRO 80 2HG PRO 80 9.756 14.903 -5.659 501 2HG PRO 80 1HG PRO 80 9.497 15.108 -7.399 502 1HD PRO 80 2HD PRO 80 7.632 15.702 -5.441 503 2HD PRO 80 1HD PRO 80 7.250 15.387 -7.148 504 H VAL 81 H VAL 81 8.627 10.293 -4.989 505 HA VAL 81 HA VAL 81 8.998 11.316 -2.198 506 HB VAL 81 HB VAL 81 8.185 8.617 -3.279 507 1HG1 VAL 81 1HG1 VAL 81 9.264 8.057 -1.295 508 2HG1 VAL 81 2HG1 VAL 81 7.629 8.370 -0.712 509 3HG1 VAL 81 3HG1 VAL 81 8.879 9.601 -0.535 510 1HG2 VAL 81 1HG2 VAL 81 6.552 10.456 -1.537 511 2HG2 VAL 81 2HG2 VAL 81 5.996 9.135 -2.565 512 3HG2 VAL 81 3HG2 VAL 81 6.555 10.642 -3.290 513 H GLY 82 H GLY 82 10.426 9.586 -4.862 514 1HA GLY 82 2HA GLY 82 12.997 9.743 -4.723 515 2HA GLY 82 1HA GLY 82 12.803 8.926 -3.173 516 H SER 83 H SER 83 14.341 7.485 -4.631 517 HA SER 83 HA SER 83 12.918 5.725 -6.511 518 1HB SER 83 2HB SER 83 15.591 5.014 -5.457 519 2HB SER 83 1HB SER 83 15.049 5.154 -7.126 520 HG SER 83 HG SER 83 15.794 7.115 -7.141 521 H VAL 84 H VAL 84 12.429 3.503 -6.086 522 HA VAL 84 HA VAL 84 12.561 2.727 -3.190 523 HB VAL 84 HB VAL 84 10.481 2.385 -5.348 524 1HG1 VAL 84 1HG1 VAL 84 10.865 0.172 -4.279 525 2HG1 VAL 84 2HG1 VAL 84 9.280 0.835 -3.883 526 3HG1 VAL 84 3HG1 VAL 84 10.587 0.909 -2.701 527 1HG2 VAL 84 1HG2 VAL 84 9.996 3.122 -2.482 528 2HG2 VAL 84 2HG2 VAL 84 9.115 3.622 -3.926 529 3HG2 VAL 84 3HG2 VAL 84 10.692 4.326 -3.566 530 H ASP 85 H ASP 85 12.878 0.447 -2.772 531 HA ASP 85 HA ASP 85 13.666 -1.302 -5.029 532 1HB ASP 85 2HB ASP 85 15.677 -0.011 -4.534 533 2HB ASP 85 1HB ASP 85 15.518 -0.376 -2.816 534 H CYS 86 H CYS 86 12.264 -2.939 -4.451 535 HA CYS 86 HA CYS 86 11.788 -3.687 -1.675 536 1HB CYS 86 2HB CYS 86 10.978 -4.831 -4.359 537 2HB CYS 86 1HB CYS 86 10.363 -5.417 -2.813 538 H ALA 87 H ALA 87 14.550 -4.113 -3.232 539 HA ALA 87 HA ALA 87 15.096 -6.867 -3.485 540 1HB ALA 87 1HB ALA 87 16.680 -4.453 -2.600 541 2HB ALA 87 2HB ALA 87 16.757 -5.305 -4.143 542 3HB ALA 87 3HB ALA 87 17.441 -6.041 -2.692 543 H THR 88 H THR 88 15.713 -4.838 -0.638 544 HA THR 88 HA THR 88 15.490 -7.268 1.092 545 HB THR 88 HB THR 88 17.637 -6.116 1.167 546 HG1 THR 88 HG1 THR 88 17.700 -5.843 3.317 547 1HG2 THR 88 1HG2 THR 88 17.145 -3.967 0.302 548 2HG2 THR 88 2HG2 THR 88 17.591 -3.675 1.983 549 3HG2 THR 88 3HG2 THR 88 15.893 -3.680 1.510 550 H ALA 89 H ALA 89 13.863 -4.469 0.106 551 HA ALA 89 HA ALA 89 12.524 -3.826 2.628 552 1HB ALA 89 1HB ALA 89 12.640 -2.900 -0.189 553 2HB ALA 89 2HB ALA 89 12.649 -1.957 1.301 554 3HB ALA 89 3HB ALA 89 11.129 -2.583 0.663 555 H ALA 90 H ALA 90 9.955 -3.612 2.210 556 HA ALA 90 HA ALA 90 9.040 -6.357 1.430 557 1HB ALA 90 1HB ALA 90 8.901 -5.237 3.829 558 2HB ALA 90 2HB ALA 90 7.568 -6.221 3.228 559 3HB ALA 90 3HB ALA 90 7.473 -4.462 3.143 560 H CYS 91 H CYS 91 8.385 -6.076 -0.726 561 HA CYS 91 HA CYS 91 6.955 -3.691 -1.640 562 1HB CYS 91 2HB CYS 91 8.321 -5.959 -2.696 563 2HB CYS 91 1HB CYS 91 6.680 -6.015 -3.338 564 H ASN 92 H ASN 92 4.697 -3.974 -2.658 565 HA ASN 92 HA ASN 92 3.052 -6.189 -1.650 566 1HB ASN 92 2HB ASN 92 1.671 -4.703 -0.214 567 2HB ASN 92 1HB ASN 92 3.345 -4.776 0.337 568 1HD2 ASN 92 1HD2 ASN 92 1.065 -2.738 -1.526 569 2HD2 ASN 92 2HD2 ASN 92 1.920 -1.290 -1.290 570 H LEU 93 H LEU 93 0.599 -5.468 -2.010 571 HA LEU 93 HA LEU 93 0.304 -3.746 -4.418 572 1HB LEU 93 2HB LEU 93 0.793 -6.022 -5.211 573 2HB LEU 93 1HB LEU 93 -0.465 -6.676 -4.164 574 HG LEU 93 HG LEU 93 -2.152 -5.318 -5.405 575 1HD1 LEU 93 1HD1 LEU 93 -1.580 -4.070 -7.328 576 2HD1 LEU 93 2HD1 LEU 93 0.005 -4.832 -7.458 577 3HD1 LEU 93 3HD1 LEU 93 -0.308 -3.665 -6.176 578 1HD2 LEU 93 1HD2 LEU 93 -1.928 -7.599 -6.097 579 2HD2 LEU 93 2HD2 LEU 93 -0.405 -7.272 -6.923 580 3HD2 LEU 93 3HD2 LEU 93 -1.917 -6.650 -7.585 581 H GLY 94 H GLY 94 -1.742 -2.721 -4.417 582 1HA GLY 94 2HA GLY 94 -3.734 -3.726 -2.426 583 2HA GLY 94 1HA GLY 94 -3.315 -2.014 -2.473 584 H ALA 95 H ALA 95 -5.953 -3.059 -2.894 585 HA ALA 95 HA ALA 95 -6.429 -2.062 -5.674 586 1HB ALA 95 1HB ALA 95 -8.192 -3.978 -5.718 587 2HB ALA 95 2HB ALA 95 -7.262 -4.657 -4.382 588 3HB ALA 95 3HB ALA 95 -6.498 -4.407 -5.953 589 H GLY 96 H GLY 96 -9.183 -2.281 -5.720 590 1HA GLY 96 2HA GLY 96 -11.207 -1.635 -4.591 591 2HA GLY 96 1HA GLY 96 -10.243 -1.151 -3.196 592 H ASN 97 H ASN 97 -12.050 0.685 -3.849 593 HA ASN 97 HA ASN 97 -10.548 2.724 -5.435 594 1HB ASN 97 2HB ASN 97 -12.699 3.543 -6.188 595 2HB ASN 97 1HB ASN 97 -12.659 1.803 -6.442 596 1HD2 ASN 97 1HD2 ASN 97 -15.189 2.637 -6.315 597 2HD2 ASN 97 2HD2 ASN 97 -15.893 2.387 -4.790 598 H SER 98 H SER 98 -12.923 4.523 -4.470 599 HA SER 98 HA SER 98 -11.547 5.429 -2.008 600 1HB SER 98 2HB SER 98 -12.732 6.620 -4.219 601 2HB SER 98 1HB SER 98 -13.886 6.916 -2.922 602 HG SER 98 HG SER 98 -12.509 8.499 -2.552 603 H GLY 99 H GLY 99 -14.905 4.607 -3.008 604 1HA GLY 99 2HA GLY 99 -15.556 4.323 -0.102 605 2HA GLY 99 1HA GLY 99 -16.743 4.698 -1.347 606 H LEU 100 H LEU 100 -14.234 2.183 -1.545 607 HA LEU 100 HA LEU 100 -16.394 0.126 -1.339 608 1HB LEU 100 2HB LEU 100 -15.841 0.836 -3.720 609 2HB LEU 100 1HB LEU 100 -14.225 0.185 -3.456 610 HG LEU 100 HG LEU 100 -16.018 -1.351 -4.571 611 1HD1 LEU 100 1HD1 LEU 100 -13.773 -2.057 -3.723 612 2HD1 LEU 100 2HD1 LEU 100 -15.003 -3.311 -3.574 613 3HD1 LEU 100 3HD1 LEU 100 -14.513 -2.383 -2.156 614 1HD2 LEU 100 1HD2 LEU 100 -16.733 -1.919 -1.697 615 2HD2 LEU 100 2HD2 LEU 100 -17.558 -2.455 -3.161 616 3HD2 LEU 100 3HD2 LEU 100 -17.665 -0.769 -2.655 617 H ASP 101 H ASP 101 -12.882 0.614 -1.647 618 HA ASP 101 HA ASP 101 -11.092 -0.409 -0.487 619 1HB ASP 101 2HB ASP 101 -12.931 0.273 1.325 620 2HB ASP 101 1HB ASP 101 -13.055 -1.479 1.501 621 H LEU 102 H LEU 102 -10.109 -2.347 -0.957 622 HA LEU 102 HA LEU 102 -11.850 -4.758 -1.242 623 1HB LEU 102 2HB LEU 102 -9.722 -3.567 -3.004 624 2HB LEU 102 1HB LEU 102 -10.110 -5.286 -3.106 625 HG LEU 102 HG LEU 102 -12.056 -2.990 -3.454 626 1HD1 LEU 102 1HD1 LEU 102 -11.445 -5.096 -5.502 627 2HD1 LEU 102 2HD1 LEU 102 -10.327 -3.747 -5.304 628 3HD1 LEU 102 3HD1 LEU 102 -12.009 -3.442 -5.737 629 1HD2 LEU 102 1HD2 LEU 102 -12.385 -5.890 -2.945 630 2HD2 LEU 102 2HD2 LEU 102 -13.349 -5.248 -4.275 631 3HD2 LEU 102 3HD2 LEU 102 -13.511 -4.563 -2.659 632 H GLY 103 H GLY 103 -8.374 -4.553 -1.765 633 1HA GLY 103 2HA GLY 103 -7.500 -5.321 0.832 634 2HA GLY 103 1HA GLY 103 -7.786 -6.786 -0.109 635 H HIS 104 H HIS 104 -5.213 -6.090 0.772 636 HA HIS 104 HA HIS 104 -3.876 -5.486 -1.843 637 1HB HIS 104 2HB HIS 104 -2.089 -4.447 -0.241 638 2HB HIS 104 1HB HIS 104 -3.558 -3.526 -0.566 639 HD1 HIS 104 HD1 HIS 104 -4.651 -2.657 1.490 640 HD2 HIS 104 HD2 HIS 104 -2.563 -6.180 2.257 641 HE1 HIS 104 HE1 HIS 104 -4.924 -3.129 3.965 642 H VAL 105 H VAL 105 -2.329 -6.976 -2.398 643 HA VAL 105 HA VAL 105 -1.759 -9.159 -0.443 644 HB VAL 105 HB VAL 105 -1.499 -8.850 -3.443 645 1HG1 VAL 105 1HG1 VAL 105 -1.230 -11.549 -2.709 646 2HG1 VAL 105 2HG1 VAL 105 -0.167 -10.667 -1.620 647 3HG1 VAL 105 3HG1 VAL 105 0.027 -10.505 -3.365 648 1HG2 VAL 105 1HG2 VAL 105 -3.623 -9.620 -1.701 649 2HG2 VAL 105 2HG2 VAL 105 -3.084 -11.068 -2.550 650 3HG2 VAL 105 3HG2 VAL 105 -3.603 -9.652 -3.463 651 H ALA 106 H ALA 106 0.247 -9.255 0.496 652 HA ALA 106 HA ALA 106 2.320 -7.325 -0.282 653 1HB ALA 106 1HB ALA 106 1.595 -9.054 1.951 654 2HB ALA 106 2HB ALA 106 2.547 -7.570 1.957 655 3HB ALA 106 3HB ALA 106 3.324 -9.115 1.614 656 H LEU 107 H LEU 107 4.117 -7.806 -1.519 657 HA LEU 107 HA LEU 107 4.408 -10.634 -2.459 658 1HB LEU 107 2HB LEU 107 5.474 -8.079 -3.688 659 2HB LEU 107 1HB LEU 107 5.316 -9.656 -4.464 660 HG LEU 107 HG LEU 107 2.941 -8.134 -3.372 661 1HD1 LEU 107 1HD1 LEU 107 3.970 -8.200 -6.225 662 2HD1 LEU 107 2HD1 LEU 107 4.100 -6.815 -5.142 663 3HD1 LEU 107 3HD1 LEU 107 2.512 -7.384 -5.658 664 1HD2 LEU 107 1HD2 LEU 107 2.499 -9.894 -5.625 665 2HD2 LEU 107 2HD2 LEU 107 1.786 -9.959 -4.014 666 3HD2 LEU 107 3HD2 LEU 107 3.324 -10.762 -4.330 667 H THR 108 H THR 108 6.780 -11.135 -3.068 668 HA THR 108 HA THR 108 8.700 -9.878 -1.152 669 HB THR 108 HB THR 108 8.445 -12.839 -1.619 670 HG1 THR 108 HG1 THR 108 7.403 -11.495 0.616 671 1HG2 THR 108 1HG2 THR 108 9.518 -11.379 0.781 672 2HG2 THR 108 2HG2 THR 108 10.531 -11.754 -0.611 673 3HG2 THR 108 3HG2 THR 108 9.789 -13.057 0.316 674 H PHE 109 H PHE 109 10.786 -9.688 -2.027 675 HA PHE 109 HA PHE 109 11.154 -10.831 -4.778 676 1HB PHE 109 2HB PHE 109 11.885 -8.236 -3.446 677 2HB PHE 109 1HB PHE 109 12.824 -8.800 -4.828 678 HD1 PHE 109 HD1 PHE 109 11.451 -9.565 -6.925 679 HD2 PHE 109 HD2 PHE 109 9.898 -7.049 -3.810 680 HE1 PHE 109 HE1 PHE 109 9.685 -8.754 -8.462 681 HE2 PHE 109 HE2 PHE 109 8.130 -6.234 -5.347 682 HZ PHE 109 HZ PHE 109 8.021 -7.089 -7.680 683 H GLY 110 H GLY 110 12.686 -12.414 -4.836 684 1HA GLY 110 2HA GLY 110 15.258 -12.564 -4.339 685 2HA GLY 110 1HA GLY 110 14.716 -12.507 -2.661 686 2H2' ROM 111 2H2' ROM 111 -11.416 5.450 -6.265 687 2H3' ROM 111 2H3' ROM 111 -8.739 6.312 -8.844 688 H'1 ROM 111 H'1 ROM 111 -4.638 4.378 -7.772 689 3H18 ROM 111 3H18 ROM 111 -5.403 1.347 1.238 690 2H18 ROM 111 2H18 ROM 111 -3.818 1.535 1.822 691 2H23 ROM 111 2H23 ROM 111 -6.869 7.593 -0.484 692 H1' ROM 111 H1' ROM 111 -8.654 7.263 -5.745 693 H2' ROM 111 H2' ROM 111 -11.535 7.522 -6.566 694 H3' ROM 111 H3' ROM 111 -10.630 7.216 -8.832 695 H4' ROM 111 H4' ROM 111 -10.919 9.484 -7.947 696 1H6B ROM 111 1H6B ROM 111 -8.452 11.490 -6.088 697 3H6B ROM 111 3H6B ROM 111 -8.776 11.503 -7.822 698 2H6B ROM 111 2H6B ROM 111 -10.114 11.454 -6.675 699 1H6A ROM 111 1H6A ROM 111 -7.505 8.113 -6.856 700 3H6A ROM 111 3H6A ROM 111 -7.330 9.324 -8.121 701 2H6A ROM 111 2H6A ROM 111 -6.967 9.739 -6.446 702 1H4B ROM 111 1H4B ROM 111 -10.107 11.113 -10.669 703 3H4B ROM 111 3H4B ROM 111 -10.931 9.547 -10.779 704 2H4B ROM 111 2H4B ROM 111 -11.252 10.623 -9.407 705 1H4A ROM 111 1H4A ROM 111 -7.810 8.379 -9.703 706 3H4A ROM 111 3H4A ROM 111 -9.377 7.789 -10.289 707 2H4A ROM 111 2H4A ROM 111 -8.534 9.083 -11.162 708 H'8 ROM 111 H'8 ROM 111 -0.261 5.719 -6.967 709 H'6 ROM 111 H'6 ROM 111 -1.509 7.820 -10.477 710 1H3A ROM 111 1H3A ROM 111 -7.006 6.112 -11.353 711 2H3A ROM 111 2H3A ROM 111 -6.166 7.739 -11.639 712 1H7A ROM 111 1H7A ROM 111 1.695 6.173 -7.732 713 3H7A ROM 111 3H7A ROM 111 1.152 5.528 -9.282 714 2H7A ROM 111 2H7A ROM 111 2.413 6.761 -9.234 715 H3 ROM 111 H3 ROM 111 -5.323 6.257 -5.037 716 H6 ROM 111 H6 ROM 111 -8.270 2.918 -2.899 717 H5 ROM 111 H5 ROM 111 -6.197 2.160 -4.046 718 H12 ROM 111 H12 ROM 111 -6.107 8.582 -3.847 719 H8 ROM 111 H8 ROM 111 -10.060 5.158 -3.086 720 H13 ROM 111 H13 ROM 111 -4.415 2.865 -5.807 721 H10 ROM 111 H10 ROM 111 -9.730 8.466 -1.654 722 H11 ROM 111 H11 ROM 111 -7.539 9.832 -2.109 723 2H14 ROM 111 2H14 ROM 111 -2.731 2.446 -4.328 724 1H14 ROM 111 1H14 ROM 111 -2.602 4.147 -3.859 725 2H17 ROM 111 2H17 ROM 111 -4.553 1.534 -1.033 726 1H17 ROM 111 1H17 ROM 111 -2.974 1.632 -0.251 727 H18 ROM 111 H18 ROM 111 -3.714 3.749 0.860 728 H20 ROM 111 H20 ROM 111 -6.940 2.060 0.437 729 H24 ROM 111 H24 ROM 111 -4.684 5.581 -0.398 730 4H18 ROM 111 4H18 ROM 111 -5.066 2.520 2.419 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -19.064 -6.924 3.594 2 2H ALA 1 2H ALA 1 -19.043 -8.196 2.469 3 3H ALA 1 3H ALA 1 -18.744 -6.604 1.956 4 HA ALA 1 HA ALA 1 -16.665 -6.531 3.121 5 1HB ALA 1 1HB ALA 1 -18.071 -8.469 4.646 6 2HB ALA 1 2HB ALA 1 -16.487 -7.775 4.996 7 3HB ALA 1 3HB ALA 1 -16.611 -9.258 4.048 8 HA PRO 2 HA PRO 2 -15.985 -8.866 -0.730 9 1HB PRO 2 2HB PRO 2 -14.269 -7.040 -1.823 10 2HB PRO 2 1HB PRO 2 -16.032 -6.909 -1.950 11 1HG PRO 2 2HG PRO 2 -14.158 -5.463 -0.159 12 2HG PRO 2 1HG PRO 2 -15.642 -4.894 -0.941 13 1HD PRO 2 2HD PRO 2 -15.470 -5.634 1.708 14 2HD PRO 2 1HD PRO 2 -16.971 -5.641 0.757 15 H ALA 3 H ALA 3 -13.462 -8.902 -1.819 16 HA ALA 3 HA ALA 3 -11.439 -9.140 0.308 17 1HB ALA 3 1HB ALA 3 -11.270 -11.497 0.234 18 2HB ALA 3 2HB ALA 3 -12.168 -11.598 -1.281 19 3HB ALA 3 3HB ALA 3 -13.010 -11.209 0.220 20 H PHE 4 H PHE 4 -9.409 -10.319 -0.830 21 HA PHE 4 HA PHE 4 -9.188 -9.829 -3.721 22 1HB PHE 4 2HB PHE 4 -9.037 -7.568 -2.796 23 2HB PHE 4 1HB PHE 4 -7.819 -8.094 -1.635 24 HD1 PHE 4 HD1 PHE 4 -8.331 -6.605 -4.790 25 HD2 PHE 4 HD2 PHE 4 -5.685 -9.271 -2.707 26 HE1 PHE 4 HE1 PHE 4 -6.550 -6.135 -6.450 27 HE2 PHE 4 HE2 PHE 4 -3.905 -8.803 -4.368 28 HZ PHE 4 HZ PHE 4 -4.339 -7.234 -6.238 29 H SER 5 H SER 5 -7.482 -11.116 -4.537 30 HA SER 5 HA SER 5 -5.302 -11.951 -2.706 31 1HB SER 5 2HB SER 5 -7.008 -13.533 -2.147 32 2HB SER 5 1HB SER 5 -7.436 -13.773 -3.838 33 HG SER 5 HG SER 5 -5.556 -15.005 -2.353 34 H VAL 6 H VAL 6 -3.669 -13.259 -3.854 35 HA VAL 6 HA VAL 6 -3.700 -12.908 -6.833 36 HB VAL 6 HB VAL 6 -2.400 -11.180 -5.474 37 1HG1 VAL 6 1HG1 VAL 6 -1.635 -12.721 -3.706 38 2HG1 VAL 6 2HG1 VAL 6 -0.259 -11.957 -4.502 39 3HG1 VAL 6 3HG1 VAL 6 -0.690 -13.621 -4.894 40 1HG2 VAL 6 1HG2 VAL 6 -0.844 -13.009 -7.330 41 2HG2 VAL 6 2HG2 VAL 6 -0.364 -11.370 -6.890 42 3HG2 VAL 6 3HG2 VAL 6 -1.837 -11.638 -7.820 43 H SER 7 H SER 7 -2.771 -14.728 -7.941 44 HA SER 7 HA SER 7 -2.631 -17.216 -6.585 45 1HB SER 7 2HB SER 7 -1.798 -16.105 -9.223 46 2HB SER 7 1HB SER 7 -1.143 -17.676 -8.772 47 HG SER 7 HG SER 7 -3.094 -18.007 -9.799 48 HA PRO 8 HA PRO 8 2.028 -16.965 -6.145 49 1HB PRO 8 2HB PRO 8 3.554 -15.247 -7.596 50 2HB PRO 8 1HB PRO 8 3.034 -16.821 -8.217 51 1HG PRO 8 2HG PRO 8 1.997 -14.117 -8.830 52 2HG PRO 8 1HG PRO 8 2.120 -15.539 -9.873 53 1HD PRO 8 2HD PRO 8 -0.215 -14.654 -8.650 54 2HD PRO 8 1HD PRO 8 0.074 -16.290 -9.275 55 H ALA 9 H ALA 9 3.498 -15.657 -4.801 56 HA ALA 9 HA ALA 9 2.888 -12.801 -4.402 57 1HB ALA 9 1HB ALA 9 1.212 -14.473 -3.189 58 2HB ALA 9 2HB ALA 9 1.758 -12.997 -2.396 59 3HB ALA 9 3HB ALA 9 2.515 -14.541 -2.003 60 H SER 10 H SER 10 5.171 -14.875 -4.827 61 HA SER 10 HA SER 10 7.130 -13.485 -3.169 62 1HB SER 10 2HB SER 10 6.146 -16.258 -2.580 63 2HB SER 10 1HB SER 10 7.807 -15.823 -2.191 64 HG SER 10 HG SER 10 6.852 -15.109 -0.432 65 H GLY 11 H GLY 11 9.380 -14.594 -3.552 66 1HA GLY 11 2HA GLY 11 10.973 -15.081 -5.225 67 2HA GLY 11 1HA GLY 11 9.925 -16.468 -5.531 68 H LEU 12 H LEU 12 9.235 -13.024 -5.965 69 HA LEU 12 HA LEU 12 8.193 -13.523 -8.665 70 1HB LEU 12 2HB LEU 12 8.515 -11.010 -6.999 71 2HB LEU 12 1HB LEU 12 7.550 -11.149 -8.469 72 HG LEU 12 HG LEU 12 7.109 -12.741 -5.928 73 1HD1 LEU 12 1HD1 LEU 12 5.047 -11.379 -5.756 74 2HD1 LEU 12 2HD1 LEU 12 5.558 -10.448 -7.164 75 3HD1 LEU 12 3HD1 LEU 12 6.498 -10.379 -5.673 76 1HD2 LEU 12 1HD2 LEU 12 6.173 -13.020 -8.685 77 2HD2 LEU 12 2HD2 LEU 12 4.839 -12.844 -7.547 78 3HD2 LEU 12 3HD2 LEU 12 6.014 -14.141 -7.333 79 H SER 13 H SER 13 8.897 -11.040 -9.835 80 HA SER 13 HA SER 13 11.718 -10.504 -9.825 81 1HB SER 13 2HB SER 13 11.749 -12.836 -10.637 82 2HB SER 13 1HB SER 13 10.668 -12.395 -11.954 83 HG SER 13 HG SER 13 13.374 -11.834 -11.563 84 H ASP 14 H ASP 14 12.290 -8.948 -11.509 85 HA ASP 14 HA ASP 14 10.204 -7.142 -12.236 86 1HB ASP 14 2HB ASP 14 11.995 -6.046 -13.488 87 2HB ASP 14 1HB ASP 14 12.647 -6.658 -11.968 88 H GLY 15 H GLY 15 8.797 -7.203 -13.942 89 1HA GLY 15 2HA GLY 15 8.133 -7.607 -16.207 90 2HA GLY 15 1HA GLY 15 9.525 -8.673 -16.389 91 H GLN 16 H GLN 16 8.875 -10.033 -13.808 92 HA GLN 16 HA GLN 16 7.492 -12.290 -14.740 93 1HB GLN 16 2HB GLN 16 8.845 -11.980 -12.622 94 2HB GLN 16 1HB GLN 16 7.440 -11.179 -11.919 95 1HG GLN 16 2HG GLN 16 6.844 -13.773 -13.192 96 2HG GLN 16 1HG GLN 16 7.901 -13.880 -11.785 97 1HE2 GLN 16 1HE2 GLN 16 5.330 -14.954 -11.551 98 2HE2 GLN 16 2HE2 GLN 16 4.387 -13.968 -10.548 99 H SER 17 H SER 17 5.275 -12.983 -14.471 100 HA SER 17 HA SER 17 3.338 -10.725 -14.076 101 1HB SER 17 2HB SER 17 3.624 -12.905 -16.091 102 2HB SER 17 1HB SER 17 1.992 -12.411 -15.659 103 HG SER 17 HG SER 17 2.736 -11.140 -17.357 104 H VAL 18 H VAL 18 1.459 -11.207 -12.881 105 HA VAL 18 HA VAL 18 1.343 -13.921 -11.611 106 HB VAL 18 HB VAL 18 0.805 -12.776 -9.517 107 1HG1 VAL 18 1HG1 VAL 18 3.030 -12.617 -9.209 108 2HG1 VAL 18 2HG1 VAL 18 3.008 -11.031 -9.980 109 3HG1 VAL 18 3HG1 VAL 18 3.276 -12.479 -10.951 110 1HG2 VAL 18 1HG2 VAL 18 -0.004 -10.709 -11.235 111 2HG2 VAL 18 2HG2 VAL 18 1.393 -10.060 -10.380 112 3HG2 VAL 18 3HG2 VAL 18 0.007 -10.662 -9.472 113 H SER 19 H SER 19 -0.877 -14.500 -10.893 114 HA SER 19 HA SER 19 -2.942 -13.276 -12.667 115 1HB SER 19 2HB SER 19 -3.981 -15.392 -12.559 116 2HB SER 19 1HB SER 19 -2.265 -15.791 -12.532 117 HG SER 19 HG SER 19 -4.014 -16.522 -10.793 118 H VAL 20 H VAL 20 -3.715 -11.500 -11.456 119 HA VAL 20 HA VAL 20 -4.331 -11.845 -8.591 120 HB VAL 20 HB VAL 20 -4.619 -9.571 -10.572 121 1HG1 VAL 20 1HG1 VAL 20 -4.945 -8.193 -8.488 122 2HG1 VAL 20 2HG1 VAL 20 -5.108 -9.697 -7.583 123 3HG1 VAL 20 3HG1 VAL 20 -6.281 -9.291 -8.835 124 1HG2 VAL 20 1HG2 VAL 20 -2.312 -10.481 -9.731 125 2HG2 VAL 20 2HG2 VAL 20 -2.758 -9.708 -8.210 126 3HG2 VAL 20 3HG2 VAL 20 -2.612 -8.745 -9.681 127 H SER 21 H SER 21 -6.538 -11.137 -7.842 128 HA SER 21 HA SER 21 -8.771 -11.344 -9.725 129 1HB SER 21 2HB SER 21 -9.376 -13.523 -9.318 130 2HB SER 21 1HB SER 21 -7.657 -13.698 -8.981 131 HG SER 21 HG SER 21 -8.172 -13.247 -6.771 132 H VAL 22 H VAL 22 -10.216 -9.922 -8.878 133 HA VAL 22 HA VAL 22 -10.321 -9.570 -5.917 134 HB VAL 22 HB VAL 22 -10.905 -7.753 -8.266 135 1HG1 VAL 22 1HG1 VAL 22 -12.508 -7.472 -6.329 136 2HG1 VAL 22 2HG1 VAL 22 -11.534 -6.045 -6.686 137 3HG1 VAL 22 3HG1 VAL 22 -11.115 -7.078 -5.321 138 1HG2 VAL 22 1HG2 VAL 22 -9.120 -6.480 -6.633 139 2HG2 VAL 22 2HG2 VAL 22 -8.652 -7.480 -8.009 140 3HG2 VAL 22 3HG2 VAL 22 -8.659 -8.163 -6.382 141 H SER 23 H SER 23 -12.480 -9.280 -4.988 142 HA SER 23 HA SER 23 -14.833 -9.753 -6.692 143 1HB SER 23 2HB SER 23 -13.441 -11.857 -5.136 144 2HB SER 23 1HB SER 23 -15.198 -11.847 -5.010 145 HG SER 23 HG SER 23 -14.688 -13.063 -6.786 146 H GLY 24 H GLY 24 -16.852 -9.752 -5.366 147 1HA GLY 24 2HA GLY 24 -18.079 -9.248 -3.370 148 2HA GLY 24 1HA GLY 24 -16.564 -8.809 -2.580 149 H ALA 25 H ALA 25 -16.562 -7.387 -5.596 150 HA ALA 25 HA ALA 25 -17.276 -4.764 -4.412 151 1HB ALA 25 1HB ALA 25 -16.346 -4.265 -6.919 152 2HB ALA 25 2HB ALA 25 -15.605 -5.836 -6.617 153 3HB ALA 25 3HB ALA 25 -15.291 -4.490 -5.526 154 H ALA 26 H ALA 26 -18.495 -7.127 -6.650 155 HA ALA 26 HA ALA 26 -20.601 -7.219 -7.735 156 1HB ALA 26 1HB ALA 26 -21.413 -4.492 -7.029 157 2HB ALA 26 2HB ALA 26 -20.892 -5.438 -5.636 158 3HB ALA 26 3HB ALA 26 -22.204 -6.024 -6.660 159 H ALA 27 H ALA 27 -20.857 -6.946 -9.875 160 HA ALA 27 HA ALA 27 -19.243 -5.420 -11.556 161 1HB ALA 27 1HB ALA 27 -21.257 -7.237 -11.793 162 2HB ALA 27 2HB ALA 27 -20.593 -6.341 -13.160 163 3HB ALA 27 3HB ALA 27 -22.067 -5.782 -12.372 164 H GLY 28 H GLY 28 -19.251 -3.291 -12.216 165 1HA GLY 28 2HA GLY 28 -20.718 -1.312 -12.799 166 2HA GLY 28 1HA GLY 28 -21.465 -1.563 -11.226 167 H GLU 29 H GLU 29 -18.084 -2.140 -11.318 168 HA GLU 29 HA GLU 29 -17.418 0.640 -10.531 169 1HB GLU 29 2HB GLU 29 -17.495 -1.783 -8.756 170 2HB GLU 29 1HB GLU 29 -16.363 -0.475 -8.414 171 1HG GLU 29 2HG GLU 29 -18.065 0.552 -7.343 172 2HG GLU 29 1HG GLU 29 -18.758 0.844 -8.937 173 H THR 30 H THR 30 -15.207 1.085 -10.753 174 HA THR 30 HA THR 30 -13.564 -1.099 -11.981 175 HB THR 30 HB THR 30 -13.109 1.875 -12.219 176 HG1 THR 30 HG1 THR 30 -14.906 1.992 -13.268 177 1HG2 THR 30 1HG2 THR 30 -12.180 1.148 -14.425 178 2HG2 THR 30 2HG2 THR 30 -12.497 -0.524 -13.962 179 3HG2 THR 30 3HG2 THR 30 -11.335 0.438 -13.049 180 H TYR 31 H TYR 31 -11.230 -1.035 -11.424 181 HA TYR 31 HA TYR 31 -10.542 0.495 -8.964 182 1HB TYR 31 2HB TYR 31 -10.660 -2.504 -9.314 183 2HB TYR 31 1HB TYR 31 -9.672 -1.759 -8.056 184 HD1 TYR 31 HD1 TYR 31 -13.118 -2.273 -9.288 185 HD2 TYR 31 HD2 TYR 31 -10.675 -0.645 -6.155 186 HE1 TYR 31 HE1 TYR 31 -15.129 -2.006 -7.860 187 HE2 TYR 31 HE2 TYR 31 -12.682 -0.377 -4.728 188 HH TYR 31 HH TYR 31 -15.877 -1.502 -5.819 189 H TYR 32 H TYR 32 -8.304 0.899 -8.790 190 HA TYR 32 HA TYR 32 -6.664 0.043 -11.148 191 1HB TYR 32 2HB TYR 32 -6.553 2.406 -9.244 192 2HB TYR 32 1HB TYR 32 -5.325 2.090 -10.469 193 HD1 TYR 32 HD1 TYR 32 -9.049 2.425 -10.126 194 HD2 TYR 32 HD2 TYR 32 -5.580 3.014 -12.591 195 HE1 TYR 32 HE1 TYR 32 -10.451 3.565 -11.826 196 HE2 TYR 32 HE2 TYR 32 -6.982 4.151 -14.291 197 HH TYR 32 HH TYR 32 -9.221 5.440 -14.262 198 H ILE 33 H ILE 33 -5.606 -1.836 -10.414 199 HA ILE 33 HA ILE 33 -4.598 -2.010 -7.656 200 HB ILE 33 HB ILE 33 -5.562 -3.914 -8.919 201 1HG1 ILE 33 2HG1 ILE 33 -3.782 -4.202 -7.121 202 2HG1 ILE 33 1HG1 ILE 33 -3.937 -5.546 -8.249 203 1HG2 ILE 33 1HG2 ILE 33 -3.936 -4.916 -10.688 204 2HG2 ILE 33 2HG2 ILE 33 -3.270 -3.286 -10.770 205 3HG2 ILE 33 3HG2 ILE 33 -4.965 -3.566 -11.163 206 1HD1 ILE 33 1HD1 ILE 33 -2.083 -3.826 -9.460 207 2HD1 ILE 33 2HD1 ILE 33 -1.722 -5.340 -8.637 208 3HD1 ILE 33 3HD1 ILE 33 -1.649 -3.816 -7.754 209 H ALA 34 H ALA 34 -2.444 -1.743 -7.037 210 HA ALA 34 HA ALA 34 -0.334 -1.453 -9.090 211 1HB ALA 34 1HB ALA 34 -0.026 0.834 -7.506 212 2HB ALA 34 2HB ALA 34 -1.763 0.744 -7.804 213 3HB ALA 34 3HB ALA 34 -0.636 0.794 -9.161 214 H GLN 35 H GLN 35 1.788 -1.626 -8.154 215 HA GLN 35 HA GLN 35 1.830 -2.914 -5.500 216 1HB GLN 35 2HB GLN 35 3.022 -3.800 -7.504 217 2HB GLN 35 1HB GLN 35 4.008 -2.337 -7.534 218 1HG GLN 35 2HG GLN 35 4.663 -2.895 -5.130 219 2HG GLN 35 1HG GLN 35 3.931 -4.476 -5.402 220 1HE2 GLN 35 1HE2 GLN 35 5.056 -5.980 -6.760 221 2HE2 GLN 35 2HE2 GLN 35 6.598 -5.667 -7.394 222 H CYS 36 H CYS 36 2.347 -1.781 -3.661 223 HA CYS 36 HA CYS 36 3.642 0.898 -3.995 224 1HB CYS 36 2HB CYS 36 1.808 -0.269 -1.884 225 2HB CYS 36 1HB CYS 36 2.523 1.340 -1.786 226 H ALA 37 H ALA 37 4.941 1.520 -1.946 227 HA ALA 37 HA ALA 37 6.092 -0.544 -0.277 228 1HB ALA 37 1HB ALA 37 7.787 0.478 -2.573 229 2HB ALA 37 2HB ALA 37 6.965 -1.082 -2.584 230 3HB ALA 37 3HB ALA 37 8.230 -0.760 -1.400 231 HA PRO 38 HA PRO 38 7.138 3.264 1.725 232 1HB PRO 38 2HB PRO 38 8.704 2.242 3.715 233 2HB PRO 38 1HB PRO 38 6.935 2.112 3.713 234 1HG PRO 38 2HG PRO 38 8.978 0.079 2.960 235 2HG PRO 38 1HG PRO 38 7.451 -0.127 3.834 236 1HD PRO 38 2HD PRO 38 7.767 -0.745 1.192 237 2HD PRO 38 1HD PRO 38 6.214 -0.257 1.907 238 H VAL 39 H VAL 39 9.168 4.496 2.345 239 HA VAL 39 HA VAL 39 11.501 3.614 0.685 240 HB VAL 39 HB VAL 39 10.229 5.494 -0.288 241 1HG1 VAL 39 1HG1 VAL 39 10.527 7.697 1.168 242 2HG1 VAL 39 2HG1 VAL 39 10.546 6.540 2.499 243 3HG1 VAL 39 3HG1 VAL 39 9.151 6.624 1.424 244 1HG2 VAL 39 1HG2 VAL 39 12.262 6.166 -0.992 245 2HG2 VAL 39 2HG2 VAL 39 13.013 5.549 0.479 246 3HG2 VAL 39 3HG2 VAL 39 12.377 7.192 0.438 247 H GLY 40 H GLY 40 11.593 2.715 3.170 248 1HA GLY 40 2HA GLY 40 12.916 2.709 5.105 249 2HA GLY 40 1HA GLY 40 13.898 3.947 4.323 250 H GLY 41 H GLY 41 10.533 4.692 4.662 251 1HA GLY 41 2HA GLY 41 10.585 5.801 7.308 252 2HA GLY 41 1HA GLY 41 10.996 7.060 6.144 253 H GLN 42 H GLN 42 9.403 7.354 4.318 254 HA GLN 42 HA GLN 42 6.649 7.244 5.410 255 1HB GLN 42 2HB GLN 42 8.233 8.836 3.509 256 2HB GLN 42 1HB GLN 42 6.578 8.532 2.975 257 1HG GLN 42 2HG GLN 42 5.943 9.208 5.426 258 2HG GLN 42 1HG GLN 42 7.532 9.974 5.433 259 1HE2 GLN 42 1HE2 GLN 42 4.364 9.997 3.802 260 2HE2 GLN 42 2HE2 GLN 42 4.547 11.536 3.108 261 H ASP 43 H ASP 43 5.090 7.110 3.196 262 HA ASP 43 HA ASP 43 5.695 4.401 2.062 263 1HB ASP 43 2HB ASP 43 3.153 4.334 1.880 264 2HB ASP 43 1HB ASP 43 3.784 4.383 3.527 265 H ALA 44 H ALA 44 5.584 4.169 -0.186 266 HA ALA 44 HA ALA 44 4.554 6.461 -1.802 267 1HB ALA 44 1HB ALA 44 6.854 6.974 -1.672 268 2HB ALA 44 2HB ALA 44 6.733 6.077 -3.183 269 3HB ALA 44 3HB ALA 44 7.326 5.278 -1.730 270 H CYS 45 H CYS 45 3.228 5.630 -3.377 271 HA CYS 45 HA CYS 45 3.323 2.734 -3.975 272 1HB CYS 45 2HB CYS 45 1.466 5.045 -4.444 273 2HB CYS 45 1HB CYS 45 1.266 3.571 -5.391 274 H ASN 46 H ASN 46 3.123 2.100 -6.360 275 HA ASN 46 HA ASN 46 5.142 3.619 -7.914 276 1HB ASN 46 2HB ASN 46 5.586 1.568 -8.924 277 2HB ASN 46 1HB ASN 46 4.935 1.007 -7.388 278 1HD2 ASN 46 1HD2 ASN 46 2.353 0.819 -7.492 279 2HD2 ASN 46 2HD2 ASN 46 1.746 0.079 -8.891 280 HA PRO 47 HA PRO 47 1.684 5.137 -10.303 281 1HB PRO 47 2HB PRO 47 3.020 7.241 -11.407 282 2HB PRO 47 1HB PRO 47 2.393 7.266 -9.747 283 1HG PRO 47 2HG PRO 47 5.166 7.038 -10.694 284 2HG PRO 47 1HG PRO 47 4.548 7.583 -9.130 285 1HD PRO 47 2HD PRO 47 5.653 5.026 -9.767 286 2HD PRO 47 1HD PRO 47 4.952 5.553 -8.221 287 H ALA 48 H ALA 48 4.345 3.447 -11.214 288 HA ALA 48 HA ALA 48 4.327 4.017 -14.095 289 1HB ALA 48 1HB ALA 48 5.685 1.916 -12.389 290 2HB ALA 48 2HB ALA 48 6.383 3.461 -12.875 291 3HB ALA 48 3HB ALA 48 6.047 2.225 -14.087 292 H THR 49 H THR 49 4.022 0.898 -12.392 293 HA THR 49 HA THR 49 2.272 -0.106 -14.546 294 HB THR 49 HB THR 49 2.518 -2.209 -13.091 295 HG1 THR 49 HG1 THR 49 3.070 -1.287 -11.160 296 1HG2 THR 49 1HG2 THR 49 4.560 -2.712 -14.103 297 2HG2 THR 49 2HG2 THR 49 5.188 -1.081 -13.864 298 3HG2 THR 49 3HG2 THR 49 3.971 -1.383 -15.104 299 H ALA 50 H ALA 50 0.109 0.239 -14.392 300 HA ALA 50 HA ALA 50 -1.260 -0.234 -11.798 301 1HB ALA 50 1HB ALA 50 -1.235 2.026 -11.474 302 2HB ALA 50 2HB ALA 50 -2.499 2.050 -12.704 303 3HB ALA 50 3HB ALA 50 -0.821 2.348 -13.158 304 H THR 51 H THR 51 -2.245 -2.062 -12.830 305 HA THR 51 HA THR 51 -3.651 -1.762 -15.382 306 HB THR 51 HB THR 51 -4.386 -4.135 -14.608 307 HG1 THR 51 HG1 THR 51 -3.226 -4.935 -12.919 308 1HG2 THR 51 1HG2 THR 51 -2.252 -5.044 -15.330 309 2HG2 THR 51 2HG2 THR 51 -1.443 -3.523 -14.953 310 3HG2 THR 51 3HG2 THR 51 -2.607 -3.598 -16.276 311 H SER 52 H SER 52 -5.664 -0.882 -15.520 312 HA SER 52 HA SER 52 -7.356 -0.671 -13.091 313 1HB SER 52 2HB SER 52 -8.465 1.017 -14.331 314 2HB SER 52 1HB SER 52 -6.784 1.171 -14.831 315 HG SER 52 HG SER 52 -7.464 -0.390 -16.552 316 H PHE 53 H PHE 53 -8.669 -2.432 -12.726 317 HA PHE 53 HA PHE 53 -9.948 -3.727 -15.118 318 1HB PHE 53 2HB PHE 53 -9.717 -5.819 -13.950 319 2HB PHE 53 1HB PHE 53 -8.160 -4.999 -13.837 320 HD1 PHE 53 HD1 PHE 53 -11.193 -5.999 -12.003 321 HD2 PHE 53 HD2 PHE 53 -7.392 -4.016 -11.735 322 HE1 PHE 53 HE1 PHE 53 -11.342 -6.047 -9.528 323 HE2 PHE 53 HE2 PHE 53 -7.541 -4.066 -9.260 324 HZ PHE 53 HZ PHE 53 -9.516 -5.081 -8.156 325 H THR 54 H THR 54 -12.156 -4.258 -14.928 326 HA THR 54 HA THR 54 -13.588 -3.006 -12.615 327 HB THR 54 HB THR 54 -14.481 -3.759 -15.420 328 HG1 THR 54 HG1 THR 54 -14.386 -1.523 -15.749 329 1HG2 THR 54 1HG2 THR 54 -16.560 -3.539 -14.585 330 2HG2 THR 54 2HG2 THR 54 -16.192 -1.834 -14.322 331 3HG2 THR 54 3HG2 THR 54 -15.938 -3.001 -13.026 332 H THR 55 H THR 55 -15.382 -4.248 -11.672 333 HA THR 55 HA THR 55 -14.834 -7.060 -11.349 334 HB THR 55 HB THR 55 -17.318 -6.835 -10.397 335 HG1 THR 55 HG1 THR 55 -18.014 -4.840 -10.278 336 1HG2 THR 55 1HG2 THR 55 -16.364 -6.023 -8.321 337 2HG2 THR 55 2HG2 THR 55 -14.999 -5.310 -9.181 338 3HG2 THR 55 3HG2 THR 55 -15.178 -7.064 -9.111 339 H ASP 56 H ASP 56 -16.460 -8.804 -11.883 340 HA ASP 56 HA ASP 56 -17.319 -8.524 -14.707 341 1HB ASP 56 2HB ASP 56 -16.005 -10.469 -13.489 342 2HB ASP 56 1HB ASP 56 -17.624 -10.986 -13.011 343 H ALA 57 H ALA 57 -19.486 -10.227 -14.810 344 HA ALA 57 HA ALA 57 -21.657 -8.578 -13.932 345 1HB ALA 57 1HB ALA 57 -22.552 -11.224 -14.377 346 2HB ALA 57 2HB ALA 57 -21.161 -10.991 -15.435 347 3HB ALA 57 3HB ALA 57 -22.542 -9.898 -15.539 348 H SER 58 H SER 58 -20.001 -11.309 -12.473 349 HA SER 58 HA SER 58 -22.017 -11.492 -10.304 350 1HB SER 58 2HB SER 58 -21.163 -13.549 -11.272 351 2HB SER 58 1HB SER 58 -19.499 -13.026 -11.029 352 HG SER 58 HG SER 58 -21.295 -14.135 -9.269 353 H GLY 59 H GLY 59 -19.871 -9.255 -10.854 354 1HA GLY 59 2HA GLY 59 -18.626 -7.807 -9.487 355 2HA GLY 59 1HA GLY 59 -19.391 -8.588 -8.107 356 H ALA 60 H ALA 60 -17.297 -10.030 -10.590 357 HA ALA 60 HA ALA 60 -15.107 -10.342 -8.619 358 1HB ALA 60 1HB ALA 60 -15.203 -12.877 -9.220 359 2HB ALA 60 2HB ALA 60 -16.856 -12.531 -9.728 360 3HB ALA 60 3HB ALA 60 -16.372 -12.253 -8.056 361 H ALA 61 H ALA 61 -13.341 -9.750 -9.814 362 HA ALA 61 HA ALA 61 -13.246 -10.549 -12.698 363 1HB ALA 61 1HB ALA 61 -12.537 -8.097 -11.157 364 2HB ALA 61 2HB ALA 61 -13.280 -8.243 -12.749 365 3HB ALA 61 3HB ALA 61 -11.543 -8.489 -12.560 366 H SER 62 H SER 62 -11.069 -10.941 -13.536 367 HA SER 62 HA SER 62 -8.900 -11.525 -11.620 368 1HB SER 62 2HB SER 62 -10.265 -13.642 -13.316 369 2HB SER 62 1HB SER 62 -8.849 -13.907 -12.303 370 HG SER 62 HG SER 62 -10.766 -14.492 -11.221 371 H PHE 63 H PHE 63 -7.001 -10.963 -12.696 372 HA PHE 63 HA PHE 63 -6.847 -11.425 -15.628 373 1HB PHE 63 2HB PHE 63 -6.151 -9.003 -15.882 374 2HB PHE 63 1HB PHE 63 -7.842 -9.240 -15.439 375 HD1 PHE 63 HD1 PHE 63 -4.536 -8.151 -14.266 376 HD2 PHE 63 HD2 PHE 63 -8.653 -8.726 -13.175 377 HE1 PHE 63 HE1 PHE 63 -4.179 -6.795 -12.219 378 HE2 PHE 63 HE2 PHE 63 -8.290 -7.369 -11.127 379 HZ PHE 63 HZ PHE 63 -6.058 -6.406 -10.650 380 H SER 64 H SER 64 -4.577 -10.651 -16.406 381 HA SER 64 HA SER 64 -2.570 -11.668 -14.455 382 1HB SER 64 2HB SER 64 -1.231 -11.569 -16.723 383 2HB SER 64 1HB SER 64 -2.437 -12.829 -16.478 384 HG SER 64 HG SER 64 -2.701 -11.738 -18.481 385 H PHE 65 H PHE 65 -1.526 -10.084 -13.321 386 HA PHE 65 HA PHE 65 -1.072 -7.441 -14.631 387 1HB PHE 65 2HB PHE 65 -2.440 -7.233 -12.708 388 2HB PHE 65 1HB PHE 65 -1.462 -8.379 -11.795 389 HD1 PHE 65 HD1 PHE 65 -1.307 -5.044 -13.470 390 HD2 PHE 65 HD2 PHE 65 0.287 -7.628 -10.440 391 HE1 PHE 65 HE1 PHE 65 0.076 -3.179 -12.614 392 HE2 PHE 65 HE2 PHE 65 1.671 -5.770 -9.581 393 HZ PHE 65 HZ PHE 65 1.575 -3.538 -10.661 394 H VAL 66 H VAL 66 1.042 -6.836 -14.992 395 HA VAL 66 HA VAL 66 3.197 -8.694 -14.277 396 HB VAL 66 HB VAL 66 3.320 -5.954 -15.559 397 1HG1 VAL 66 1HG1 VAL 66 5.165 -8.301 -15.311 398 2HG1 VAL 66 2HG1 VAL 66 5.528 -6.578 -15.207 399 3HG1 VAL 66 3HG1 VAL 66 5.234 -7.325 -16.778 400 1HG2 VAL 66 1HG2 VAL 66 1.703 -7.226 -16.814 401 2HG2 VAL 66 2HG2 VAL 66 2.710 -8.671 -16.750 402 3HG2 VAL 66 3HG2 VAL 66 3.216 -7.286 -17.716 403 H VAL 67 H VAL 67 5.182 -7.849 -13.191 404 HA VAL 67 HA VAL 67 4.582 -5.689 -11.199 405 HB VAL 67 HB VAL 67 5.874 -7.190 -9.599 406 1HG1 VAL 67 1HG1 VAL 67 3.640 -7.340 -9.101 407 2HG1 VAL 67 2HG1 VAL 67 3.853 -8.975 -9.729 408 3HG1 VAL 67 3HG1 VAL 67 3.189 -7.711 -10.766 409 1HG2 VAL 67 1HG2 VAL 67 6.457 -8.558 -11.950 410 2HG2 VAL 67 2HG2 VAL 67 5.248 -9.579 -11.172 411 3HG2 VAL 67 3HG2 VAL 67 6.731 -9.161 -10.316 412 H ARG 68 H ARG 68 6.498 -4.554 -10.446 413 HA ARG 68 HA ARG 68 8.935 -5.003 -12.136 414 1HB ARG 68 2HB ARG 68 7.147 -2.713 -11.832 415 2HB ARG 68 1HB ARG 68 8.827 -2.289 -11.493 416 1HG ARG 68 2HG ARG 68 9.539 -2.804 -13.637 417 2HG ARG 68 1HG ARG 68 8.247 -3.977 -13.896 418 1HD ARG 68 2HD ARG 68 6.927 -2.402 -14.847 419 2HD ARG 68 1HD ARG 68 7.163 -1.307 -13.471 420 HE ARG 68 HE ARG 68 9.413 -1.592 -15.383 421 1HH1 ARG 68 1HH1 ARG 68 6.530 -0.020 -15.608 422 2HH1 ARG 68 2HH1 ARG 68 7.170 1.590 -15.588 423 1HH2 ARG 68 1HH2 ARG 68 10.370 0.591 -14.699 424 2HH2 ARG 68 2HH2 ARG 68 9.344 1.936 -15.074 425 H LYS 69 H LYS 69 10.262 -5.921 -10.604 426 HA LYS 69 HA LYS 69 10.436 -5.790 -7.898 427 1HB LYS 69 2HB LYS 69 11.978 -6.866 -9.625 428 2HB LYS 69 1HB LYS 69 12.841 -5.328 -9.669 429 1HG LYS 69 2HG LYS 69 13.462 -5.487 -7.381 430 2HG LYS 69 1HG LYS 69 12.303 -6.781 -7.080 431 1HD LYS 69 2HD LYS 69 13.610 -8.389 -8.151 432 2HD LYS 69 1HD LYS 69 14.470 -7.188 -9.116 433 1HE LYS 69 2HE LYS 69 15.621 -6.371 -7.070 434 2HE LYS 69 1HE LYS 69 14.788 -7.621 -6.125 435 1HZ LYS 69 1HZ LYS 69 16.787 -7.951 -8.265 436 2HZ LYS 69 2HZ LYS 69 15.666 -9.189 -7.950 437 3HZ LYS 69 3HZ LYS 69 16.737 -8.679 -6.735 438 H SER 70 H SER 70 12.082 -3.332 -9.947 439 HA SER 70 HA SER 70 12.067 -1.514 -7.563 440 1HB SER 70 2HB SER 70 14.047 -0.549 -8.553 441 2HB SER 70 1HB SER 70 14.236 -2.299 -8.599 442 HG SER 70 HG SER 70 14.718 -1.177 -10.603 443 H TYR 71 H TYR 71 11.411 0.667 -7.859 444 HA TYR 71 HA TYR 71 10.654 1.806 -10.399 445 1HB TYR 71 2HB TYR 71 8.266 1.541 -10.266 446 2HB TYR 71 1HB TYR 71 8.957 -0.060 -9.999 447 HD1 TYR 71 HD1 TYR 71 7.682 2.959 -8.204 448 HD2 TYR 71 HD2 TYR 71 8.519 -1.250 -8.010 449 HE1 TYR 71 HE1 TYR 71 6.556 2.837 -5.998 450 HE2 TYR 71 HE2 TYR 71 7.393 -1.371 -5.803 451 HH TYR 71 HH TYR 71 5.631 1.368 -4.486 452 H THR 72 H THR 72 10.351 4.032 -10.106 453 HA THR 72 HA THR 72 11.028 5.269 -7.643 454 HB THR 72 HB THR 72 9.278 6.553 -9.709 455 HG1 THR 72 HG1 THR 72 12.028 5.965 -10.015 456 1HG2 THR 72 1HG2 THR 72 11.460 7.345 -7.831 457 2HG2 THR 72 2HG2 THR 72 9.938 8.163 -8.185 458 3HG2 THR 72 3HG2 THR 72 11.276 8.253 -9.331 459 H GLY 73 H GLY 73 9.815 5.664 -5.829 460 1HA GLY 73 2HA GLY 73 6.959 4.914 -5.870 461 2HA GLY 73 1HA GLY 73 7.919 5.249 -4.430 462 H SER 74 H SER 74 5.466 6.412 -4.575 463 HA SER 74 HA SER 74 5.944 9.171 -4.172 464 1HB SER 74 2HB SER 74 6.485 9.416 -6.460 465 2HB SER 74 1HB SER 74 5.221 8.305 -6.971 466 HG SER 74 HG SER 74 5.102 10.997 -6.310 467 H THR 75 H THR 75 4.256 9.574 -2.800 468 HA THR 75 HA THR 75 1.976 8.083 -2.342 469 HB THR 75 HB THR 75 1.084 10.136 -1.355 470 HG1 THR 75 HG1 THR 75 1.356 11.667 -2.849 471 1HG2 THR 75 1HG2 THR 75 3.647 9.084 -0.880 472 2HG2 THR 75 2HG2 THR 75 2.681 10.061 0.226 473 3HG2 THR 75 3HG2 THR 75 3.845 10.836 -0.848 474 HA PRO 76 HA PRO 76 -0.478 8.457 -5.982 475 1HB PRO 76 2HB PRO 76 -2.922 7.855 -4.893 476 2HB PRO 76 1HB PRO 76 -1.673 6.631 -5.212 477 1HG PRO 76 2HG PRO 76 -2.384 7.983 -2.649 478 2HG PRO 76 1HG PRO 76 -1.971 6.287 -2.953 479 1HD PRO 76 2HD PRO 76 -0.198 8.054 -1.917 480 2HD PRO 76 1HD PRO 76 0.295 6.697 -2.953 481 H GLU 77 H GLU 77 -1.177 10.226 -3.032 482 HA GLU 77 HA GLU 77 -2.097 12.551 -4.604 483 1HB GLU 77 2HB GLU 77 -3.816 10.891 -2.759 484 2HB GLU 77 1HB GLU 77 -4.187 12.589 -3.059 485 1HG GLU 77 2HG GLU 77 -4.007 10.373 -5.119 486 2HG GLU 77 1HG GLU 77 -5.451 11.264 -4.639 487 H GLY 78 H GLY 78 -0.506 13.889 -3.671 488 1HA GLY 78 2HA GLY 78 -0.821 15.267 -1.346 489 2HA GLY 78 1HA GLY 78 -0.030 13.800 -0.772 490 H THR 79 H THR 79 2.144 13.385 -1.426 491 HA THR 79 HA THR 79 3.522 15.527 -2.975 492 HB THR 79 HB THR 79 4.871 14.655 -0.495 493 HG1 THR 79 HG1 THR 79 3.518 15.879 0.820 494 1HG2 THR 79 1HG2 THR 79 4.782 17.358 -0.446 495 2HG2 THR 79 2HG2 THR 79 4.522 17.078 -2.168 496 3HG2 THR 79 3HG2 THR 79 5.970 16.451 -1.382 497 HA PRO 80 HA PRO 80 5.731 12.065 -4.527 498 1HB PRO 80 2HB PRO 80 8.044 13.298 -5.328 499 2HB PRO 80 1HB PRO 80 6.508 13.451 -6.207 500 1HG PRO 80 2HG PRO 80 7.802 15.354 -4.316 501 2HG PRO 80 1HG PRO 80 6.893 15.678 -5.802 502 1HD PRO 80 2HD PRO 80 5.839 15.963 -3.294 503 2HD PRO 80 1HD PRO 80 4.866 15.596 -4.736 504 H VAL 81 H VAL 81 6.545 10.587 -3.102 505 HA VAL 81 HA VAL 81 8.160 11.315 -0.806 506 HB VAL 81 HB VAL 81 7.427 8.698 -2.112 507 1HG1 VAL 81 1HG1 VAL 81 7.860 8.299 0.618 508 2HG1 VAL 81 2HG1 VAL 81 9.201 9.322 0.105 509 3HG1 VAL 81 3HG1 VAL 81 8.918 7.776 -0.693 510 1HG2 VAL 81 1HG2 VAL 81 5.506 8.724 -0.838 511 2HG2 VAL 81 2HG2 VAL 81 5.728 10.464 -1.015 512 3HG2 VAL 81 3HG2 VAL 81 6.259 9.653 0.458 513 H GLY 82 H GLY 82 9.214 8.556 -2.661 514 1HA GLY 82 2HA GLY 82 11.522 9.913 -3.833 515 2HA GLY 82 1HA GLY 82 11.926 8.890 -2.452 516 H SER 83 H SER 83 13.151 7.529 -3.957 517 HA SER 83 HA SER 83 11.622 6.052 -6.010 518 1HB SER 83 2HB SER 83 14.475 5.630 -5.137 519 2HB SER 83 1HB SER 83 13.770 5.336 -6.723 520 HG SER 83 HG SER 83 14.009 7.379 -7.192 521 H VAL 84 H VAL 84 11.749 3.624 -6.008 522 HA VAL 84 HA VAL 84 11.950 2.470 -3.248 523 HB VAL 84 HB VAL 84 9.732 2.387 -5.288 524 1HG1 VAL 84 1HG1 VAL 84 8.742 0.470 -4.182 525 2HG1 VAL 84 2HG1 VAL 84 10.043 0.424 -2.993 526 3HG1 VAL 84 3HG1 VAL 84 10.374 0.023 -4.677 527 1HG2 VAL 84 1HG2 VAL 84 9.615 4.045 -3.478 528 2HG2 VAL 84 2HG2 VAL 84 9.844 2.774 -2.277 529 3HG2 VAL 84 3HG2 VAL 84 8.372 2.816 -3.247 530 H ASP 85 H ASP 85 12.299 0.092 -3.294 531 HA ASP 85 HA ASP 85 12.977 -1.215 -5.824 532 1HB ASP 85 2HB ASP 85 14.861 0.465 -4.967 533 2HB ASP 85 1HB ASP 85 15.273 -0.899 -3.928 534 H CYS 86 H CYS 86 12.200 -3.240 -5.402 535 HA CYS 86 HA CYS 86 11.771 -4.316 -2.775 536 1HB CYS 86 2HB CYS 86 11.142 -4.881 -5.450 537 2HB CYS 86 1HB CYS 86 12.040 -6.290 -4.886 538 H ALA 87 H ALA 87 14.629 -4.014 -4.599 539 HA ALA 87 HA ALA 87 16.035 -6.417 -4.006 540 1HB ALA 87 1HB ALA 87 16.854 -3.529 -4.397 541 2HB ALA 87 2HB ALA 87 16.877 -4.824 -5.594 542 3HB ALA 87 3HB ALA 87 18.028 -4.836 -4.259 543 H THR 88 H THR 88 15.457 -3.494 -2.133 544 HA THR 88 HA THR 88 16.433 -4.894 0.311 545 HB THR 88 HB THR 88 18.299 -3.576 -0.569 546 HG1 THR 88 HG1 THR 88 18.571 -2.214 1.219 547 1HG2 THR 88 1HG2 THR 88 16.729 -1.044 -0.301 548 2HG2 THR 88 2HG2 THR 88 16.533 -2.007 -1.767 549 3HG2 THR 88 3HG2 THR 88 18.125 -1.392 -1.319 550 H ALA 89 H ALA 89 13.888 -3.610 -1.121 551 HA ALA 89 HA ALA 89 12.912 -2.173 1.313 552 1HB ALA 89 1HB ALA 89 11.955 -1.803 -1.527 553 2HB ALA 89 2HB ALA 89 13.321 -0.896 -0.876 554 3HB ALA 89 3HB ALA 89 11.721 -0.718 -0.156 555 H ALA 90 H ALA 90 10.758 -2.672 1.982 556 HA ALA 90 HA ALA 90 9.796 -5.333 1.195 557 1HB ALA 90 1HB ALA 90 7.952 -4.102 2.896 558 2HB ALA 90 2HB ALA 90 9.498 -3.386 3.350 559 3HB ALA 90 3HB ALA 90 9.289 -5.138 3.395 560 H CYS 91 H CYS 91 8.380 -5.610 -0.495 561 HA CYS 91 HA CYS 91 6.720 -3.257 -1.343 562 1HB CYS 91 2HB CYS 91 7.276 -5.761 -2.947 563 2HB CYS 91 1HB CYS 91 6.855 -4.156 -3.537 564 H ASN 92 H ASN 92 4.491 -3.643 -1.834 565 HA ASN 92 HA ASN 92 3.317 -6.287 -1.197 566 1HB ASN 92 2HB ASN 92 1.851 -5.223 0.530 567 2HB ASN 92 1HB ASN 92 3.559 -5.176 0.972 568 1HD2 ASN 92 1HD2 ASN 92 1.319 -3.287 1.743 569 2HD2 ASN 92 2HD2 ASN 92 1.858 -1.752 1.261 570 H LEU 93 H LEU 93 1.422 -6.570 -2.384 571 HA LEU 93 HA LEU 93 0.689 -4.542 -4.347 572 1HB LEU 93 2HB LEU 93 0.760 -7.086 -4.579 573 2HB LEU 93 1HB LEU 93 -0.731 -7.114 -3.635 574 HG LEU 93 HG LEU 93 -1.882 -5.781 -5.285 575 1HD1 LEU 93 1HD1 LEU 93 0.885 -5.223 -6.148 576 2HD1 LEU 93 2HD1 LEU 93 -0.559 -4.220 -6.279 577 3HD1 LEU 93 3HD1 LEU 93 -0.253 -5.485 -7.469 578 1HD2 LEU 93 1HD2 LEU 93 -2.075 -7.410 -6.931 579 2HD2 LEU 93 2HD2 LEU 93 -1.251 -8.330 -5.672 580 3HD2 LEU 93 3HD2 LEU 93 -0.334 -7.668 -7.024 581 H GLY 94 H GLY 94 -1.169 -3.270 -4.361 582 1HA GLY 94 2HA GLY 94 -3.225 -3.655 -2.273 583 2HA GLY 94 1HA GLY 94 -2.345 -2.125 -2.236 584 H ALA 95 H ALA 95 -5.218 -3.153 -3.110 585 HA ALA 95 HA ALA 95 -5.276 -1.601 -5.682 586 1HB ALA 95 1HB ALA 95 -7.528 -3.387 -5.079 587 2HB ALA 95 2HB ALA 95 -5.978 -4.226 -5.152 588 3HB ALA 95 3HB ALA 95 -6.538 -3.287 -6.536 589 H GLY 96 H GLY 96 -7.829 -0.945 -5.969 590 1HA GLY 96 2HA GLY 96 -9.680 -0.323 -4.151 591 2HA GLY 96 1HA GLY 96 -8.398 0.766 -3.615 592 H ASN 97 H ASN 97 -10.960 1.617 -4.647 593 HA ASN 97 HA ASN 97 -10.021 3.093 -7.064 594 1HB ASN 97 2HB ASN 97 -12.186 2.727 -8.076 595 2HB ASN 97 1HB ASN 97 -11.581 1.163 -7.534 596 1HD2 ASN 97 1HD2 ASN 97 -14.344 1.441 -7.852 597 2HD2 ASN 97 2HD2 ASN 97 -15.099 1.478 -6.331 598 H SER 98 H SER 98 -11.779 4.929 -7.478 599 HA SER 98 HA SER 98 -11.797 7.177 -6.284 600 1HB SER 98 2HB SER 98 -13.778 6.008 -7.552 601 2HB SER 98 1HB SER 98 -14.495 5.912 -5.946 602 HG SER 98 HG SER 98 -13.769 8.281 -5.923 603 H GLY 99 H GLY 99 -13.872 4.910 -4.415 604 1HA GLY 99 2HA GLY 99 -12.648 6.045 -1.933 605 2HA GLY 99 1HA GLY 99 -14.400 5.915 -2.087 606 H LEU 100 H LEU 100 -15.100 3.557 -2.772 607 HA LEU 100 HA LEU 100 -14.748 1.740 -0.740 608 1HB LEU 100 2HB LEU 100 -16.230 1.620 -2.790 609 2HB LEU 100 1HB LEU 100 -14.836 0.995 -3.674 610 HG LEU 100 HG LEU 100 -15.476 -0.329 -1.088 611 1HD1 LEU 100 1HD1 LEU 100 -17.705 -0.284 -1.842 612 2HD1 LEU 100 2HD1 LEU 100 -17.101 -1.817 -2.470 613 3HD1 LEU 100 3HD1 LEU 100 -17.232 -0.417 -3.536 614 1HD2 LEU 100 1HD2 LEU 100 -15.119 -1.992 -3.439 615 2HD2 LEU 100 2HD2 LEU 100 -14.118 -1.887 -1.992 616 3HD2 LEU 100 3HD2 LEU 100 -13.844 -0.779 -3.335 617 H ASP 101 H ASP 101 -13.067 0.533 0.047 618 HA ASP 101 HA ASP 101 -10.617 0.239 -1.663 619 1HB ASP 101 2HB ASP 101 -10.377 1.710 0.299 620 2HB ASP 101 1HB ASP 101 -10.975 0.422 1.347 621 H LEU 102 H LEU 102 -9.652 -1.846 -1.736 622 HA LEU 102 HA LEU 102 -11.364 -4.064 -0.742 623 1HB LEU 102 2HB LEU 102 -9.106 -3.913 -2.760 624 2HB LEU 102 1HB LEU 102 -10.032 -5.370 -2.402 625 HG LEU 102 HG LEU 102 -11.376 -2.806 -3.257 626 1HD1 LEU 102 1HD1 LEU 102 -9.711 -4.592 -4.831 627 2HD1 LEU 102 2HD1 LEU 102 -10.479 -3.078 -5.308 628 3HD1 LEU 102 3HD1 LEU 102 -11.373 -4.594 -5.420 629 1HD2 LEU 102 1HD2 LEU 102 -12.221 -5.705 -3.538 630 2HD2 LEU 102 2HD2 LEU 102 -13.221 -4.272 -3.778 631 3HD2 LEU 102 3HD2 LEU 102 -12.664 -4.698 -2.159 632 H GLY 103 H GLY 103 -8.002 -4.638 -1.443 633 1HA GLY 103 2HA GLY 103 -7.135 -4.496 1.353 634 2HA GLY 103 1HA GLY 103 -7.317 -6.138 0.735 635 H HIS 104 H HIS 104 -4.833 -5.766 1.388 636 HA HIS 104 HA HIS 104 -3.418 -5.197 -1.187 637 1HB HIS 104 2HB HIS 104 -1.591 -4.313 0.577 638 2HB HIS 104 1HB HIS 104 -2.838 -3.254 -0.074 639 HD1 HIS 104 HD1 HIS 104 -3.616 -1.830 1.820 640 HD2 HIS 104 HD2 HIS 104 -3.128 -5.800 2.997 641 HE1 HIS 104 HE1 HIS 104 -4.404 -1.966 4.224 642 H VAL 105 H VAL 105 -2.229 -6.943 -1.763 643 HA VAL 105 HA VAL 105 -1.672 -9.105 0.177 644 HB VAL 105 HB VAL 105 -1.261 -8.709 -2.806 645 1HG1 VAL 105 1HG1 VAL 105 -0.887 -11.198 -2.821 646 2HG1 VAL 105 2HG1 VAL 105 -0.776 -11.142 -1.066 647 3HG1 VAL 105 3HG1 VAL 105 0.410 -10.288 -2.051 648 1HG2 VAL 105 1HG2 VAL 105 -3.056 -10.656 -2.658 649 2HG2 VAL 105 2HG2 VAL 105 -3.551 -8.968 -2.531 650 3HG2 VAL 105 3HG2 VAL 105 -3.369 -9.946 -1.074 651 H ALA 106 H ALA 106 0.652 -10.112 -0.103 652 HA ALA 106 HA ALA 106 2.653 -7.876 -0.016 653 1HB ALA 106 1HB ALA 106 3.654 -10.189 1.252 654 2HB ALA 106 2HB ALA 106 1.959 -10.082 1.727 655 3HB ALA 106 3HB ALA 106 3.048 -8.731 2.038 656 H LEU 107 H LEU 107 4.633 -8.192 -1.160 657 HA LEU 107 HA LEU 107 4.790 -10.685 -2.830 658 1HB LEU 107 2HB LEU 107 5.571 -7.922 -3.778 659 2HB LEU 107 1HB LEU 107 5.228 -9.352 -4.749 660 HG LEU 107 HG LEU 107 3.143 -7.996 -3.022 661 1HD1 LEU 107 1HD1 LEU 107 2.563 -6.600 -4.749 662 2HD1 LEU 107 2HD1 LEU 107 3.113 -7.730 -5.986 663 3HD1 LEU 107 3HD1 LEU 107 4.284 -6.744 -5.110 664 1HD2 LEU 107 1HD2 LEU 107 2.944 -10.451 -3.817 665 2HD2 LEU 107 2HD2 LEU 107 2.754 -9.774 -5.434 666 3HD2 LEU 107 3HD2 LEU 107 1.592 -9.377 -4.169 667 H THR 108 H THR 108 7.004 -11.139 -3.597 668 HA THR 108 HA THR 108 9.182 -9.794 -2.062 669 HB THR 108 HB THR 108 8.520 -12.731 -2.234 670 HG1 THR 108 HG1 THR 108 8.677 -10.814 -0.182 671 1HG2 THR 108 1HG2 THR 108 11.012 -11.386 -1.188 672 2HG2 THR 108 2HG2 THR 108 10.915 -12.498 -2.553 673 3HG2 THR 108 3HG2 THR 108 10.605 -13.080 -0.917 674 H PHE 109 H PHE 109 11.277 -10.003 -3.151 675 HA PHE 109 HA PHE 109 11.069 -11.012 -5.973 676 1HB PHE 109 2HB PHE 109 12.044 -8.437 -4.787 677 2HB PHE 109 1HB PHE 109 12.807 -9.029 -6.264 678 HD1 PHE 109 HD1 PHE 109 9.465 -8.276 -4.758 679 HD2 PHE 109 HD2 PHE 109 11.769 -8.722 -8.357 680 HE1 PHE 109 HE1 PHE 109 7.547 -7.441 -6.092 681 HE2 PHE 109 HE2 PHE 109 9.852 -7.888 -9.690 682 HZ PHE 109 HZ PHE 109 7.737 -7.248 -8.559 683 H GLY 110 H GLY 110 12.670 -12.439 -6.521 684 1HA GLY 110 2HA GLY 110 15.013 -12.652 -4.671 685 2HA GLY 110 1HA GLY 110 14.332 -14.019 -5.554 686 2H2' ROM 111 2H2' ROM 111 -9.519 4.990 -8.693 687 2H3' ROM 111 2H3' ROM 111 -7.063 5.456 -10.887 688 H'1 ROM 111 H'1 ROM 111 -3.113 3.994 -9.962 689 3H18 ROM 111 3H18 ROM 111 -5.043 2.051 1.243 690 2H18 ROM 111 2H18 ROM 111 -6.418 3.047 1.192 691 2H23 ROM 111 2H23 ROM 111 -5.284 7.056 -3.555 692 H1' ROM 111 H1' ROM 111 -7.269 6.671 -8.323 693 H2' ROM 111 H2' ROM 111 -9.977 7.041 -9.625 694 H3' ROM 111 H3' ROM 111 -8.798 6.655 -11.729 695 H4' ROM 111 H4' ROM 111 -9.110 8.943 -10.898 696 1H6B ROM 111 1H6B ROM 111 -8.168 10.926 -9.169 697 3H6B ROM 111 3H6B ROM 111 -6.406 10.864 -9.212 698 2H6B ROM 111 2H6B ROM 111 -7.326 10.868 -10.717 699 1H6A ROM 111 1H6A ROM 111 -5.278 9.162 -9.200 700 3H6A ROM 111 3H6A ROM 111 -5.891 7.510 -9.191 701 2H6A ROM 111 2H6A ROM 111 -5.618 8.340 -10.719 702 1H4B ROM 111 1H4B ROM 111 -7.519 7.155 -13.090 703 3H4B ROM 111 3H4B ROM 111 -6.507 8.366 -13.894 704 2H4B ROM 111 2H4B ROM 111 -5.958 7.613 -12.387 705 1H4A ROM 111 1H4A ROM 111 -8.003 9.939 -13.954 706 3H4A ROM 111 3H4A ROM 111 -9.316 9.086 -13.123 707 2H4A ROM 111 2H4A ROM 111 -8.734 10.642 -12.500 708 H'8 ROM 111 H'8 ROM 111 -0.294 5.571 -6.600 709 H'6 ROM 111 H'6 ROM 111 0.126 8.285 -9.867 710 1H3A ROM 111 1H3A ROM 111 -3.284 8.073 -13.333 711 2H3A ROM 111 2H3A ROM 111 -3.324 6.356 -14.026 712 1H7A ROM 111 1H7A ROM 111 3.006 7.520 -7.272 713 3H7A ROM 111 3H7A ROM 111 2.051 6.301 -6.430 714 2H7A ROM 111 2H7A ROM 111 2.209 6.241 -8.187 715 H3 ROM 111 H3 ROM 111 -4.208 5.749 -6.578 716 H6 ROM 111 H6 ROM 111 -7.697 3.012 -4.426 717 H5 ROM 111 H5 ROM 111 -5.437 2.039 -4.802 718 H12 ROM 111 H12 ROM 111 -5.108 8.286 -6.168 719 H8 ROM 111 H8 ROM 111 -9.295 5.122 -5.564 720 H13 ROM 111 H13 ROM 111 -3.294 2.385 -6.433 721 H10 ROM 111 H10 ROM 111 -9.131 8.675 -4.896 722 H11 ROM 111 H11 ROM 111 -6.814 9.882 -5.076 723 2H14 ROM 111 2H14 ROM 111 -2.048 2.037 -4.539 724 1H14 ROM 111 1H14 ROM 111 -2.042 3.752 -4.109 725 2H17 ROM 111 2H17 ROM 111 -4.797 1.647 -1.607 726 1H17 ROM 111 1H17 ROM 111 -3.439 1.987 -0.537 727 H18 ROM 111 H18 ROM 111 -4.458 4.090 0.158 728 H20 ROM 111 H20 ROM 111 -7.637 2.720 -0.870 729 H24 ROM 111 H24 ROM 111 -4.693 5.665 -1.787 730 4H18 ROM 111 4H18 ROM 111 -6.271 1.745 0.111 Start of MODEL 21 1 1H ALA 1 1H ALA 1 -18.436 -9.680 4.224 2 2H ALA 1 2H ALA 1 -17.231 -10.878 4.200 3 3H ALA 1 3H ALA 1 -18.280 -10.703 2.877 4 HA ALA 1 HA ALA 1 -17.333 -8.341 2.679 5 1HB ALA 1 1HB ALA 1 -14.898 -8.529 3.662 6 2HB ALA 1 2HB ALA 1 -15.622 -9.759 4.698 7 3HB ALA 1 3HB ALA 1 -16.236 -8.107 4.730 8 HA PRO 2 HA PRO 2 -15.435 -10.283 -0.766 9 1HB PRO 2 2HB PRO 2 -13.767 -8.302 -1.640 10 2HB PRO 2 1HB PRO 2 -15.532 -8.234 -1.830 11 1HG PRO 2 2HG PRO 2 -13.795 -6.892 0.180 12 2HG PRO 2 1HG PRO 2 -15.236 -6.286 -0.650 13 1HD PRO 2 2HD PRO 2 -15.249 -7.214 1.926 14 2HD PRO 2 1HD PRO 2 -16.667 -7.250 0.855 15 H ALA 3 H ALA 3 -12.819 -9.974 -1.740 16 HA ALA 3 HA ALA 3 -10.793 -10.187 0.308 17 1HB ALA 3 1HB ALA 3 -11.119 -12.868 -0.808 18 2HB ALA 3 2HB ALA 3 -12.529 -12.348 0.115 19 3HB ALA 3 3HB ALA 3 -10.937 -12.373 0.874 20 H PHE 4 H PHE 4 -9.006 -9.580 -0.805 21 HA PHE 4 HA PHE 4 -8.830 -9.940 -3.730 22 1HB PHE 4 2HB PHE 4 -8.282 -7.812 -2.598 23 2HB PHE 4 1HB PHE 4 -7.050 -8.634 -1.641 24 HD1 PHE 4 HD1 PHE 4 -4.994 -7.756 -2.362 25 HD2 PHE 4 HD2 PHE 4 -7.913 -8.997 -5.256 26 HE1 PHE 4 HE1 PHE 4 -3.350 -7.384 -4.178 27 HE2 PHE 4 HE2 PHE 4 -6.276 -8.622 -7.062 28 HZ PHE 4 HZ PHE 4 -3.986 -7.819 -6.534 29 H SER 5 H SER 5 -7.396 -11.416 -4.729 30 HA SER 5 HA SER 5 -5.418 -12.823 -2.990 31 1HB SER 5 2HB SER 5 -7.928 -13.836 -3.572 32 2HB SER 5 1HB SER 5 -6.911 -14.606 -4.784 33 HG SER 5 HG SER 5 -5.518 -15.218 -3.034 34 H VAL 6 H VAL 6 -3.634 -13.646 -4.123 35 HA VAL 6 HA VAL 6 -3.497 -13.117 -7.075 36 HB VAL 6 HB VAL 6 -2.329 -11.421 -5.731 37 1HG1 VAL 6 1HG1 VAL 6 -2.017 -12.869 -3.725 38 2HG1 VAL 6 2HG1 VAL 6 -0.541 -12.032 -4.195 39 3HG1 VAL 6 3HG1 VAL 6 -0.751 -13.736 -4.589 40 1HG2 VAL 6 1HG2 VAL 6 0.021 -11.821 -6.586 41 2HG2 VAL 6 2HG2 VAL 6 -1.233 -11.990 -7.813 42 3HG2 VAL 6 3HG2 VAL 6 -0.508 -13.425 -7.093 43 H SER 7 H SER 7 -2.256 -14.737 -8.267 44 HA SER 7 HA SER 7 -2.285 -17.383 -7.260 45 1HB SER 7 2HB SER 7 -0.934 -15.935 -9.507 46 2HB SER 7 1HB SER 7 -0.466 -17.602 -9.184 47 HG SER 7 HG SER 7 -3.072 -16.591 -9.721 48 HA PRO 8 HA PRO 8 2.183 -17.376 -5.888 49 1HB PRO 8 2HB PRO 8 4.029 -15.610 -6.836 50 2HB PRO 8 1HB PRO 8 3.604 -17.103 -7.699 51 1HG PRO 8 2HG PRO 8 2.762 -14.306 -8.234 52 2HG PRO 8 1HG PRO 8 3.095 -15.625 -9.367 53 1HD PRO 8 2HD PRO 8 0.561 -14.806 -8.621 54 2HD PRO 8 1HD PRO 8 0.966 -16.410 -9.268 55 H ALA 9 H ALA 9 4.014 -15.432 -4.966 56 HA ALA 9 HA ALA 9 2.822 -12.980 -4.069 57 1HB ALA 9 1HB ALA 9 2.093 -13.591 -1.870 58 2HB ALA 9 2HB ALA 9 2.817 -15.193 -2.008 59 3HB ALA 9 3HB ALA 9 1.393 -14.786 -2.961 60 H SER 10 H SER 10 5.093 -15.610 -3.468 61 HA SER 10 HA SER 10 7.059 -13.591 -2.453 62 1HB SER 10 2HB SER 10 7.866 -15.824 -1.230 63 2HB SER 10 1HB SER 10 6.599 -14.813 -0.541 64 HG SER 10 HG SER 10 6.251 -17.088 -2.216 65 H GLY 11 H GLY 11 9.300 -14.080 -3.013 66 1HA GLY 11 2HA GLY 11 11.002 -14.871 -4.421 67 2HA GLY 11 1HA GLY 11 10.039 -16.334 -4.634 68 H LEU 12 H LEU 12 9.249 -12.961 -5.414 69 HA LEU 12 HA LEU 12 8.339 -13.784 -8.090 70 1HB LEU 12 2HB LEU 12 8.420 -11.098 -6.697 71 2HB LEU 12 1HB LEU 12 7.479 -11.497 -8.134 72 HG LEU 12 HG LEU 12 7.170 -12.896 -5.468 73 1HD1 LEU 12 1HD1 LEU 12 5.569 -11.397 -4.869 74 2HD1 LEU 12 2HD1 LEU 12 5.027 -11.156 -6.529 75 3HD1 LEU 12 3HD1 LEU 12 6.463 -10.318 -5.940 76 1HD2 LEU 12 1HD2 LEU 12 6.544 -14.026 -7.708 77 2HD2 LEU 12 2HD2 LEU 12 5.247 -12.834 -7.787 78 3HD2 LEU 12 3HD2 LEU 12 5.315 -13.976 -6.447 79 H SER 13 H SER 13 8.956 -11.204 -9.284 80 HA SER 13 HA SER 13 11.788 -10.659 -9.258 81 1HB SER 13 2HB SER 13 11.053 -13.076 -10.441 82 2HB SER 13 1HB SER 13 11.274 -11.987 -11.809 83 HG SER 13 HG SER 13 13.147 -12.058 -9.702 84 H ASP 14 H ASP 14 12.335 -9.007 -10.827 85 HA ASP 14 HA ASP 14 10.242 -7.215 -11.551 86 1HB ASP 14 2HB ASP 14 12.562 -6.546 -11.233 87 2HB ASP 14 1HB ASP 14 13.077 -7.585 -12.563 88 H GLY 15 H GLY 15 8.917 -7.164 -13.336 89 1HA GLY 15 2HA GLY 15 8.329 -7.507 -15.632 90 2HA GLY 15 1HA GLY 15 9.710 -8.596 -15.787 91 H GLN 16 H GLN 16 8.964 -10.030 -13.296 92 HA GLN 16 HA GLN 16 7.482 -12.185 -14.382 93 1HB GLN 16 2HB GLN 16 8.982 -12.047 -12.317 94 2HB GLN 16 1HB GLN 16 7.596 -11.360 -11.473 95 1HG GLN 16 2HG GLN 16 6.263 -13.368 -12.006 96 2HG GLN 16 1HG GLN 16 7.644 -14.061 -12.857 97 1HE2 GLN 16 1HE2 GLN 16 6.200 -14.929 -10.293 98 2HE2 GLN 16 2HE2 GLN 16 7.442 -15.079 -9.152 99 H SER 17 H SER 17 5.334 -12.288 -14.894 100 HA SER 17 HA SER 17 3.475 -10.298 -13.679 101 1HB SER 17 2HB SER 17 3.748 -11.782 -16.223 102 2HB SER 17 1HB SER 17 2.095 -11.564 -15.657 103 HG SER 17 HG SER 17 2.513 -9.737 -16.759 104 H VAL 18 H VAL 18 1.891 -10.979 -12.275 105 HA VAL 18 HA VAL 18 1.608 -13.931 -11.846 106 HB VAL 18 HB VAL 18 0.960 -13.258 -9.566 107 1HG1 VAL 18 1HG1 VAL 18 3.396 -13.465 -10.249 108 2HG1 VAL 18 2HG1 VAL 18 3.104 -12.446 -8.838 109 3HG1 VAL 18 3HG1 VAL 18 3.422 -11.710 -10.409 110 1HG2 VAL 18 1HG2 VAL 18 0.065 -10.972 -10.656 111 2HG2 VAL 18 2HG2 VAL 18 1.651 -10.410 -10.128 112 3HG2 VAL 18 3HG2 VAL 18 0.517 -11.079 -8.955 113 H SER 19 H SER 19 -0.589 -14.716 -11.408 114 HA SER 19 HA SER 19 -2.630 -13.257 -12.978 115 1HB SER 19 2HB SER 19 -2.720 -15.494 -13.510 116 2HB SER 19 1HB SER 19 -2.110 -15.997 -11.936 117 HG SER 19 HG SER 19 -4.662 -15.750 -12.818 118 H VAL 20 H VAL 20 -3.367 -11.558 -11.641 119 HA VAL 20 HA VAL 20 -4.035 -12.097 -8.823 120 HB VAL 20 HB VAL 20 -4.118 -9.713 -10.680 121 1HG1 VAL 20 1HG1 VAL 20 -5.143 -10.058 -7.875 122 2HG1 VAL 20 2HG1 VAL 20 -5.913 -9.253 -9.243 123 3HG1 VAL 20 3HG1 VAL 20 -4.545 -8.493 -8.428 124 1HG2 VAL 20 1HG2 VAL 20 -1.904 -10.449 -9.860 125 2HG2 VAL 20 2HG2 VAL 20 -2.494 -10.372 -8.201 126 3HG2 VAL 20 3HG2 VAL 20 -2.354 -8.896 -9.155 127 H SER 21 H SER 21 -6.232 -11.609 -8.013 128 HA SER 21 HA SER 21 -8.464 -11.451 -9.892 129 1HB SER 21 2HB SER 21 -9.263 -13.686 -9.608 130 2HB SER 21 1HB SER 21 -7.545 -13.845 -9.963 131 HG SER 21 HG SER 21 -7.608 -14.968 -8.165 132 H VAL 22 H VAL 22 -9.908 -10.219 -8.777 133 HA VAL 22 HA VAL 22 -9.957 -10.415 -5.812 134 HB VAL 22 HB VAL 22 -11.101 -8.298 -7.650 135 1HG1 VAL 22 1HG1 VAL 22 -10.127 -7.911 -4.831 136 2HG1 VAL 22 2HG1 VAL 22 -11.734 -8.574 -5.121 137 3HG1 VAL 22 3HG1 VAL 22 -11.317 -6.973 -5.731 138 1HG2 VAL 22 1HG2 VAL 22 -8.729 -7.390 -6.372 139 2HG2 VAL 22 2HG2 VAL 22 -8.994 -7.634 -8.100 140 3HG2 VAL 22 3HG2 VAL 22 -8.348 -8.945 -7.113 141 H SER 23 H SER 23 -11.925 -10.948 -4.786 142 HA SER 23 HA SER 23 -14.334 -11.251 -6.521 143 1HB SER 23 2HB SER 23 -14.625 -13.536 -5.489 144 2HB SER 23 1HB SER 23 -13.221 -13.401 -6.542 145 HG SER 23 HG SER 23 -12.054 -13.901 -4.875 146 H GLY 24 H GLY 24 -16.212 -10.697 -5.439 147 1HA GLY 24 2HA GLY 24 -17.401 -10.916 -3.177 148 2HA GLY 24 1HA GLY 24 -15.961 -10.149 -2.515 149 H ALA 25 H ALA 25 -15.692 -8.389 -4.894 150 HA ALA 25 HA ALA 25 -17.114 -6.112 -3.935 151 1HB ALA 25 1HB ALA 25 -16.351 -5.170 -6.139 152 2HB ALA 25 2HB ALA 25 -15.880 -6.798 -6.620 153 3HB ALA 25 3HB ALA 25 -15.072 -6.014 -5.267 154 H ALA 26 H ALA 26 -18.013 -5.461 -6.872 155 HA ALA 26 HA ALA 26 -20.375 -7.202 -7.178 156 1HB ALA 26 1HB ALA 26 -21.970 -5.510 -6.620 157 2HB ALA 26 2HB ALA 26 -20.734 -4.251 -6.613 158 3HB ALA 26 3HB ALA 26 -20.769 -5.461 -5.330 159 H ALA 27 H ALA 27 -20.994 -7.244 -9.314 160 HA ALA 27 HA ALA 27 -19.497 -6.085 -11.398 161 1HB ALA 27 1HB ALA 27 -22.441 -6.604 -11.679 162 2HB ALA 27 2HB ALA 27 -21.377 -7.941 -11.238 163 3HB ALA 27 3HB ALA 27 -21.124 -7.072 -12.752 164 H GLY 28 H GLY 28 -19.368 -3.984 -12.099 165 1HA GLY 28 2HA GLY 28 -20.672 -2.032 -12.968 166 2HA GLY 28 1HA GLY 28 -21.673 -2.182 -11.527 167 H GLU 29 H GLU 29 -18.471 -2.846 -10.765 168 HA GLU 29 HA GLU 29 -17.995 -0.005 -9.934 169 1HB GLU 29 2HB GLU 29 -17.361 -2.555 -8.418 170 2HB GLU 29 1HB GLU 29 -17.151 -0.907 -7.825 171 1HG GLU 29 2HG GLU 29 -19.565 -0.518 -7.953 172 2HG GLU 29 1HG GLU 29 -19.808 -2.128 -8.632 173 H THR 30 H THR 30 -15.895 0.731 -10.255 174 HA THR 30 HA THR 30 -14.029 -1.153 -11.633 175 HB THR 30 HB THR 30 -13.951 1.871 -11.522 176 HG1 THR 30 HG1 THR 30 -14.970 1.485 -13.703 177 1HG2 THR 30 1HG2 THR 30 -12.047 1.485 -12.662 178 2HG2 THR 30 2HG2 THR 30 -13.062 0.916 -13.988 179 3HG2 THR 30 3HG2 THR 30 -12.414 -0.234 -12.818 180 H TYR 31 H TYR 31 -11.663 -0.724 -11.138 181 HA TYR 31 HA TYR 31 -11.115 0.495 -8.500 182 1HB TYR 31 2HB TYR 31 -11.060 -2.440 -9.161 183 2HB TYR 31 1HB TYR 31 -9.999 -1.792 -7.908 184 HD1 TYR 31 HD1 TYR 31 -13.481 -2.451 -8.887 185 HD2 TYR 31 HD2 TYR 31 -10.917 -0.805 -5.861 186 HE1 TYR 31 HE1 TYR 31 -15.380 -2.425 -7.291 187 HE2 TYR 31 HE2 TYR 31 -12.816 -0.780 -4.263 188 HH TYR 31 HH TYR 31 -15.786 -0.789 -4.946 189 H TYR 32 H TYR 32 -8.647 0.125 -8.021 190 HA TYR 32 HA TYR 32 -7.099 0.122 -10.583 191 1HB TYR 32 2HB TYR 32 -6.673 2.040 -8.281 192 2HB TYR 32 1HB TYR 32 -6.031 2.159 -9.917 193 HD1 TYR 32 HD1 TYR 32 -9.044 2.537 -7.814 194 HD2 TYR 32 HD2 TYR 32 -7.417 2.918 -11.772 195 HE1 TYR 32 HE1 TYR 32 -11.042 3.836 -8.511 196 HE2 TYR 32 HE2 TYR 32 -9.413 4.216 -12.469 197 HH TYR 32 HH TYR 32 -12.194 4.593 -10.345 198 H ILE 33 H ILE 33 -5.444 -1.351 -10.423 199 HA ILE 33 HA ILE 33 -4.570 -2.227 -7.698 200 HB ILE 33 HB ILE 33 -5.375 -3.935 -9.257 201 1HG1 ILE 33 2HG1 ILE 33 -2.420 -4.338 -9.426 202 2HG1 ILE 33 1HG1 ILE 33 -3.115 -4.124 -7.819 203 1HG2 ILE 33 1HG2 ILE 33 -5.058 -3.615 -11.464 204 2HG2 ILE 33 2HG2 ILE 33 -3.347 -3.976 -11.234 205 3HG2 ILE 33 3HG2 ILE 33 -3.918 -2.309 -11.143 206 1HD1 ILE 33 1HD1 ILE 33 -3.787 -6.242 -9.865 207 2HD1 ILE 33 2HD1 ILE 33 -4.834 -5.903 -8.487 208 3HD1 ILE 33 3HD1 ILE 33 -3.184 -6.471 -8.225 209 H ALA 34 H ALA 34 -2.525 -1.653 -6.973 210 HA ALA 34 HA ALA 34 -0.416 -1.003 -8.963 211 1HB ALA 34 1HB ALA 34 -1.595 0.938 -6.955 212 2HB ALA 34 2HB ALA 34 -1.592 1.096 -8.712 213 3HB ALA 34 3HB ALA 34 -0.081 1.228 -7.811 214 H GLN 35 H GLN 35 1.662 -1.292 -8.128 215 HA GLN 35 HA GLN 35 1.877 -2.660 -5.523 216 1HB GLN 35 2HB GLN 35 2.993 -3.385 -7.666 217 2HB GLN 35 1HB GLN 35 3.965 -1.917 -7.598 218 1HG GLN 35 2HG GLN 35 5.162 -2.631 -5.727 219 2HG GLN 35 1HG GLN 35 3.891 -3.742 -5.216 220 1HE2 GLN 35 1HE2 GLN 35 6.951 -3.830 -6.393 221 2HE2 GLN 35 2HE2 GLN 35 6.884 -5.257 -7.311 222 H CYS 36 H CYS 36 2.516 -1.583 -3.669 223 HA CYS 36 HA CYS 36 3.782 1.115 -4.037 224 1HB CYS 36 2HB CYS 36 1.342 0.413 -2.903 225 2HB CYS 36 1HB CYS 36 2.397 0.651 -1.514 226 H ALA 37 H ALA 37 4.801 1.778 -1.812 227 HA ALA 37 HA ALA 37 5.991 -0.345 -0.187 228 1HB ALA 37 1HB ALA 37 8.180 1.072 -1.443 229 2HB ALA 37 2HB ALA 37 7.156 0.343 -2.682 230 3HB ALA 37 3HB ALA 37 7.865 -0.664 -1.419 231 HA PRO 38 HA PRO 38 6.235 3.213 2.398 232 1HB PRO 38 2HB PRO 38 8.156 2.421 4.179 233 2HB PRO 38 1HB PRO 38 6.489 1.820 4.202 234 1HG PRO 38 2HG PRO 38 8.945 0.532 3.116 235 2HG PRO 38 1HG PRO 38 7.583 -0.194 3.985 236 1HD PRO 38 2HD PRO 38 7.881 -0.354 1.277 237 2HD PRO 38 1HD PRO 38 6.297 -0.382 2.088 238 H VAL 39 H VAL 39 7.653 5.007 2.878 239 HA VAL 39 HA VAL 39 10.352 4.956 1.606 240 HB VAL 39 HB VAL 39 8.750 5.692 -0.102 241 1HG1 VAL 39 1HG1 VAL 39 7.718 7.237 2.205 242 2HG1 VAL 39 2HG1 VAL 39 6.857 6.585 0.812 243 3HG1 VAL 39 3HG1 VAL 39 7.740 8.106 0.671 244 1HG2 VAL 39 1HG2 VAL 39 9.890 7.637 -0.757 245 2HG2 VAL 39 2HG2 VAL 39 11.038 6.887 0.349 246 3HG2 VAL 39 3HG2 VAL 39 10.031 8.227 0.898 247 H GLY 40 H GLY 40 10.598 4.962 4.129 248 1HA GLY 40 2HA GLY 40 11.595 6.278 5.841 249 2HA GLY 40 1HA GLY 40 11.188 7.727 4.921 250 H GLY 41 H GLY 41 8.330 6.409 4.772 251 1HA GLY 41 2HA GLY 41 7.164 6.213 7.295 252 2HA GLY 41 1HA GLY 41 7.238 7.944 6.963 253 H GLN 42 H GLN 42 6.700 8.086 4.273 254 HA GLN 42 HA GLN 42 3.829 7.516 4.203 255 1HB GLN 42 2HB GLN 42 5.380 9.478 3.237 256 2HB GLN 42 1HB GLN 42 5.391 8.429 1.820 257 1HG GLN 42 2HG GLN 42 3.343 9.176 1.262 258 2HG GLN 42 1HG GLN 42 2.708 8.538 2.778 259 1HE2 GLN 42 1HE2 GLN 42 3.695 10.138 4.733 260 2HE2 GLN 42 2HE2 GLN 42 3.311 11.769 4.468 261 H ASP 43 H ASP 43 3.568 6.941 1.421 262 HA ASP 43 HA ASP 43 4.952 4.328 1.039 263 1HB ASP 43 2HB ASP 43 2.245 4.761 1.937 264 2HB ASP 43 1HB ASP 43 2.219 3.982 0.354 265 H ALA 44 H ALA 44 5.935 4.833 -0.907 266 HA ALA 44 HA ALA 44 4.580 6.451 -2.944 267 1HB ALA 44 1HB ALA 44 7.169 5.952 -2.183 268 2HB ALA 44 2HB ALA 44 6.710 6.671 -3.726 269 3HB ALA 44 3HB ALA 44 7.021 4.938 -3.618 270 H CYS 45 H CYS 45 3.471 5.616 -4.704 271 HA CYS 45 HA CYS 45 3.327 2.648 -4.931 272 1HB CYS 45 2HB CYS 45 1.520 4.953 -5.304 273 2HB CYS 45 1HB CYS 45 1.332 3.658 -6.488 274 H ASN 46 H ASN 46 2.804 2.005 -7.348 275 HA ASN 46 HA ASN 46 5.085 2.951 -8.958 276 1HB ASN 46 2HB ASN 46 3.979 0.532 -8.495 277 2HB ASN 46 1HB ASN 46 3.129 0.965 -9.980 278 1HD2 ASN 46 1HD2 ASN 46 5.116 -1.152 -9.850 279 2HD2 ASN 46 2HD2 ASN 46 6.427 -0.682 -10.820 280 HA PRO 47 HA PRO 47 2.244 5.556 -11.200 281 1HB PRO 47 2HB PRO 47 4.154 7.044 -12.446 282 2HB PRO 47 1HB PRO 47 3.694 7.296 -10.751 283 1HG PRO 47 2HG PRO 47 6.120 6.049 -11.870 284 2HG PRO 47 1HG PRO 47 5.878 6.853 -10.315 285 1HD PRO 47 2HD PRO 47 5.961 4.063 -10.792 286 2HD PRO 47 1HD PRO 47 5.516 4.879 -9.278 287 H ALA 48 H ALA 48 4.669 3.412 -12.422 288 HA ALA 48 HA ALA 48 4.024 3.861 -15.252 289 1HB ALA 48 1HB ALA 48 5.491 1.465 -14.796 290 2HB ALA 48 2HB ALA 48 6.079 2.672 -13.653 291 3HB ALA 48 3HB ALA 48 6.104 3.012 -15.384 292 H THR 49 H THR 49 3.144 1.582 -12.704 293 HA THR 49 HA THR 49 1.623 -0.050 -14.685 294 HB THR 49 HB THR 49 1.429 -1.471 -12.485 295 HG1 THR 49 HG1 THR 49 3.705 -0.867 -11.511 296 1HG2 THR 49 1HG2 THR 49 3.769 -1.075 -14.310 297 2HG2 THR 49 2HG2 THR 49 2.663 -2.445 -14.193 298 3HG2 THR 49 3HG2 THR 49 3.909 -2.210 -12.967 299 H ALA 50 H ALA 50 0.281 2.235 -14.480 300 HA ALA 50 HA ALA 50 -1.646 2.100 -12.223 301 1HB ALA 50 1HB ALA 50 -1.644 4.338 -12.563 302 2HB ALA 50 2HB ALA 50 -2.180 4.111 -14.228 303 3HB ALA 50 3HB ALA 50 -0.458 4.099 -13.847 304 H THR 51 H THR 51 -2.411 -0.073 -13.218 305 HA THR 51 HA THR 51 -4.170 0.315 -15.594 306 HB THR 51 HB THR 51 -2.506 -1.524 -15.544 307 HG1 THR 51 HG1 THR 51 -3.909 -2.679 -16.574 308 1HG2 THR 51 1HG2 THR 51 -3.294 -1.723 -12.873 309 2HG2 THR 51 2HG2 THR 51 -2.205 -2.817 -13.726 310 3HG2 THR 51 3HG2 THR 51 -3.927 -3.186 -13.627 311 H SER 52 H SER 52 -6.387 0.149 -15.426 312 HA SER 52 HA SER 52 -7.529 -0.252 -12.686 313 1HB SER 52 2HB SER 52 -8.650 1.144 -15.132 314 2HB SER 52 1HB SER 52 -9.349 1.164 -13.517 315 HG SER 52 HG SER 52 -7.265 2.601 -14.571 316 H PHE 53 H PHE 53 -9.470 -1.579 -12.536 317 HA PHE 53 HA PHE 53 -10.242 -3.122 -14.962 318 1HB PHE 53 2HB PHE 53 -9.800 -5.236 -13.794 319 2HB PHE 53 1HB PHE 53 -8.326 -4.267 -13.865 320 HD1 PHE 53 HD1 PHE 53 -7.681 -2.861 -11.856 321 HD2 PHE 53 HD2 PHE 53 -10.774 -5.836 -11.711 322 HE1 PHE 53 HE1 PHE 53 -7.547 -2.878 -9.382 323 HE2 PHE 53 HE2 PHE 53 -10.641 -5.853 -9.236 324 HZ PHE 53 HZ PHE 53 -9.026 -4.375 -8.071 325 H THR 54 H THR 54 -12.381 -3.848 -14.856 326 HA THR 54 HA THR 54 -13.928 -2.992 -12.449 327 HB THR 54 HB THR 54 -14.814 -3.720 -15.261 328 HG1 THR 54 HG1 THR 54 -15.104 -1.290 -15.175 329 1HG2 THR 54 1HG2 THR 54 -16.213 -2.376 -12.937 330 2HG2 THR 54 2HG2 THR 54 -16.622 -3.929 -13.664 331 3HG2 THR 54 3HG2 THR 54 -16.860 -2.440 -14.575 332 H THR 55 H THR 55 -15.597 -4.483 -11.654 333 HA THR 55 HA THR 55 -14.694 -7.249 -11.551 334 HB THR 55 HB THR 55 -16.995 -7.369 -10.302 335 HG1 THR 55 HG1 THR 55 -18.075 -5.589 -10.312 336 1HG2 THR 55 1HG2 THR 55 -14.711 -5.580 -9.429 337 2HG2 THR 55 2HG2 THR 55 -14.860 -7.314 -9.144 338 3HG2 THR 55 3HG2 THR 55 -15.966 -6.192 -8.356 339 H ASP 56 H ASP 56 -16.721 -8.877 -11.725 340 HA ASP 56 HA ASP 56 -17.807 -8.541 -14.501 341 1HB ASP 56 2HB ASP 56 -16.776 -10.889 -12.902 342 2HB ASP 56 1HB ASP 56 -17.795 -11.132 -14.320 343 H ALA 57 H ALA 57 -19.649 -10.671 -14.380 344 HA ALA 57 HA ALA 57 -21.888 -9.466 -13.068 345 1HB ALA 57 1HB ALA 57 -21.207 -12.009 -14.456 346 2HB ALA 57 2HB ALA 57 -22.514 -10.871 -14.785 347 3HB ALA 57 3HB ALA 57 -22.661 -12.022 -13.458 348 H SER 58 H SER 58 -19.485 -11.762 -12.000 349 HA SER 58 HA SER 58 -21.016 -12.382 -9.529 350 1HB SER 58 2HB SER 58 -19.989 -14.244 -10.652 351 2HB SER 58 1HB SER 58 -18.462 -13.385 -10.814 352 HG SER 58 HG SER 58 -17.968 -13.947 -8.848 353 H GLY 59 H GLY 59 -19.654 -9.718 -10.262 354 1HA GLY 59 2HA GLY 59 -18.322 -8.101 -9.191 355 2HA GLY 59 1HA GLY 59 -18.833 -8.900 -7.705 356 H ALA 60 H ALA 60 -17.088 -10.740 -10.075 357 HA ALA 60 HA ALA 60 -14.652 -10.617 -8.325 358 1HB ALA 60 1HB ALA 60 -14.417 -12.987 -8.724 359 2HB ALA 60 2HB ALA 60 -15.689 -12.956 -9.946 360 3HB ALA 60 3HB ALA 60 -16.090 -12.701 -8.248 361 H ALA 61 H ALA 61 -13.020 -9.647 -9.449 362 HA ALA 61 HA ALA 61 -12.984 -9.873 -12.429 363 1HB ALA 61 1HB ALA 61 -12.413 -7.689 -12.320 364 2HB ALA 61 2HB ALA 61 -11.056 -8.056 -11.254 365 3HB ALA 61 3HB ALA 61 -12.659 -7.771 -10.577 366 H SER 62 H SER 62 -10.807 -10.108 -13.423 367 HA SER 62 HA SER 62 -8.651 -11.248 -11.773 368 1HB SER 62 2HB SER 62 -8.908 -13.277 -13.559 369 2HB SER 62 1HB SER 62 -9.659 -13.302 -11.968 370 HG SER 62 HG SER 62 -11.008 -13.675 -13.957 371 H PHE 63 H PHE 63 -6.676 -10.902 -12.809 372 HA PHE 63 HA PHE 63 -6.484 -10.678 -15.719 373 1HB PHE 63 2HB PHE 63 -5.854 -8.237 -15.597 374 2HB PHE 63 1HB PHE 63 -7.543 -8.553 -15.196 375 HD1 PHE 63 HD1 PHE 63 -4.299 -7.457 -13.936 376 HD2 PHE 63 HD2 PHE 63 -8.299 -8.555 -12.819 377 HE1 PHE 63 HE1 PHE 63 -3.951 -6.437 -11.706 378 HE2 PHE 63 HE2 PHE 63 -7.949 -7.534 -10.585 379 HZ PHE 63 HZ PHE 63 -5.778 -6.477 -10.027 380 H SER 64 H SER 64 -4.197 -10.143 -16.354 381 HA SER 64 HA SER 64 -2.307 -11.265 -14.370 382 1HB SER 64 2HB SER 64 -0.830 -10.933 -16.547 383 2HB SER 64 1HB SER 64 -2.012 -12.236 -16.463 384 HG SER 64 HG SER 64 -2.777 -11.304 -18.192 385 H PHE 65 H PHE 65 -1.328 -9.818 -13.012 386 HA PHE 65 HA PHE 65 -0.782 -7.058 -14.006 387 1HB PHE 65 2HB PHE 65 -2.193 -7.081 -12.082 388 2HB PHE 65 1HB PHE 65 -1.195 -8.296 -11.283 389 HD1 PHE 65 HD1 PHE 65 -1.117 -4.804 -12.607 390 HD2 PHE 65 HD2 PHE 65 0.586 -7.655 -9.887 391 HE1 PHE 65 HE1 PHE 65 0.255 -3.011 -11.591 392 HE2 PHE 65 HE2 PHE 65 1.958 -5.864 -8.868 393 HZ PHE 65 HZ PHE 65 1.797 -3.540 -9.718 394 H VAL 66 H VAL 66 1.343 -6.517 -14.344 395 HA VAL 66 HA VAL 66 3.451 -8.458 -13.720 396 HB VAL 66 HB VAL 66 3.827 -5.654 -14.746 397 1HG1 VAL 66 1HG1 VAL 66 5.830 -6.430 -15.489 398 2HG1 VAL 66 2HG1 VAL 66 5.151 -7.978 -15.994 399 3HG1 VAL 66 3HG1 VAL 66 5.573 -7.710 -14.303 400 1HG2 VAL 66 1HG2 VAL 66 3.510 -7.328 -16.974 401 2HG2 VAL 66 2HG2 VAL 66 2.384 -6.081 -16.439 402 3HG2 VAL 66 3HG2 VAL 66 2.166 -7.748 -15.911 403 H VAL 67 H VAL 67 5.356 -7.893 -12.451 404 HA VAL 67 HA VAL 67 4.846 -5.781 -10.379 405 HB VAL 67 HB VAL 67 6.022 -7.422 -8.842 406 1HG1 VAL 67 1HG1 VAL 67 3.886 -9.142 -9.409 407 2HG1 VAL 67 2HG1 VAL 67 3.347 -7.562 -9.981 408 3HG1 VAL 67 3HG1 VAL 67 3.857 -7.767 -8.305 409 1HG2 VAL 67 1HG2 VAL 67 5.384 -9.690 -10.590 410 2HG2 VAL 67 2HG2 VAL 67 6.837 -9.383 -9.638 411 3HG2 VAL 67 3HG2 VAL 67 6.664 -8.666 -11.240 412 H ARG 68 H ARG 68 6.692 -4.553 -9.807 413 HA ARG 68 HA ARG 68 9.148 -5.112 -11.436 414 1HB ARG 68 2HB ARG 68 8.125 -2.481 -10.333 415 2HB ARG 68 1HB ARG 68 9.423 -2.701 -11.505 416 1HG ARG 68 2HG ARG 68 6.798 -3.904 -12.217 417 2HG ARG 68 1HG ARG 68 6.881 -2.143 -12.231 418 1HD ARG 68 2HD ARG 68 9.165 -2.639 -13.548 419 2HD ARG 68 1HD ARG 68 8.277 -4.112 -13.984 420 HE ARG 68 HE ARG 68 6.403 -2.113 -14.329 421 1HH1 ARG 68 1HH2 ARG 68 8.371 -3.719 -16.319 422 2HH1 ARG 68 2HH2 ARG 68 8.712 -2.424 -17.418 423 1HH2 ARG 68 1HH1 ARG 68 7.377 0.027 -15.359 424 2HH2 ARG 68 2HH1 ARG 68 8.149 -0.303 -16.874 425 H LYS 69 H LYS 69 10.487 -6.186 -9.945 426 HA LYS 69 HA LYS 69 10.647 -6.001 -7.186 427 1HB LYS 69 2HB LYS 69 12.010 -7.484 -8.608 428 2HB LYS 69 1HB LYS 69 12.916 -6.093 -9.207 429 1HG LYS 69 2HG LYS 69 14.034 -5.778 -7.192 430 2HG LYS 69 1HG LYS 69 12.770 -6.569 -6.250 431 1HD LYS 69 2HD LYS 69 14.539 -8.142 -6.271 432 2HD LYS 69 1HD LYS 69 13.438 -8.720 -7.520 433 1HE LYS 69 2HE LYS 69 15.643 -8.794 -8.488 434 2HE LYS 69 1HE LYS 69 14.854 -7.366 -9.186 435 1HZ LYS 69 1HZ LYS 69 16.148 -6.962 -6.623 436 2HZ LYS 69 2HZ LYS 69 16.121 -5.959 -7.994 437 3HZ LYS 69 3HZ LYS 69 17.201 -7.269 -7.917 438 H SER 70 H SER 70 12.540 -3.956 -9.438 439 HA SER 70 HA SER 70 12.764 -1.903 -7.262 440 1HB SER 70 2HB SER 70 14.730 -1.234 -8.886 441 2HB SER 70 1HB SER 70 14.930 -2.601 -7.795 442 HG SER 70 HG SER 70 14.631 -2.522 -10.554 443 H TYR 71 H TYR 71 11.322 -0.248 -7.656 444 HA TYR 71 HA TYR 71 11.140 0.823 -10.434 445 1HB TYR 71 2HB TYR 71 8.714 0.707 -10.376 446 2HB TYR 71 1HB TYR 71 9.348 -0.896 -10.003 447 HD1 TYR 71 HD1 TYR 71 7.234 1.768 -8.891 448 HD2 TYR 71 HD2 TYR 71 9.658 -1.491 -7.485 449 HE1 TYR 71 HE1 TYR 71 6.011 1.791 -6.732 450 HE2 TYR 71 HE2 TYR 71 8.435 -1.465 -5.324 451 HH TYR 71 HH TYR 71 5.678 0.731 -4.786 452 H THR 72 H THR 72 10.578 3.049 -10.493 453 HA THR 72 HA THR 72 11.214 4.578 -8.114 454 HB THR 72 HB THR 72 9.861 5.836 -10.430 455 HG1 THR 72 HG1 THR 72 11.026 4.837 -11.839 456 1HG2 THR 72 1HG2 THR 72 11.195 7.569 -9.857 457 2HG2 THR 72 2HG2 THR 72 12.621 6.538 -9.733 458 3HG2 THR 72 3HG2 THR 72 11.497 6.656 -8.378 459 H GLY 73 H GLY 73 9.766 4.879 -6.474 460 1HA GLY 73 2HA GLY 73 6.899 4.504 -6.904 461 2HA GLY 73 1HA GLY 73 7.672 4.927 -5.376 462 H SER 74 H SER 74 5.333 6.220 -6.215 463 HA SER 74 HA SER 74 6.105 8.991 -6.033 464 1HB SER 74 2HB SER 74 5.534 7.747 -8.702 465 2HB SER 74 1HB SER 74 5.048 9.417 -8.425 466 HG SER 74 HG SER 74 7.440 8.515 -9.040 467 H THR 75 H THR 75 4.361 9.955 -5.045 468 HA THR 75 HA THR 75 1.937 8.654 -4.448 469 HB THR 75 HB THR 75 1.190 11.036 -3.962 470 HG1 THR 75 HG1 THR 75 2.318 12.098 -5.564 471 1HG2 THR 75 1HG2 THR 75 2.880 11.383 -2.204 472 2HG2 THR 75 2HG2 THR 75 3.947 10.229 -3.001 473 3HG2 THR 75 3HG2 THR 75 2.422 9.684 -2.308 474 HA PRO 76 HA PRO 76 -0.424 8.991 -8.106 475 1HB PRO 76 2HB PRO 76 -2.942 9.272 -7.081 476 2HB PRO 76 1HB PRO 76 -2.042 7.751 -7.050 477 1HG PRO 76 2HG PRO 76 -2.468 9.727 -4.877 478 2HG PRO 76 1HG PRO 76 -2.411 7.959 -4.798 479 1HD PRO 76 2HD PRO 76 -0.331 9.583 -4.065 480 2HD PRO 76 1HD PRO 76 -0.131 7.909 -4.628 481 H GLU 77 H GLU 77 -0.097 11.573 -5.924 482 HA GLU 77 HA GLU 77 -1.898 13.448 -7.319 483 1HB GLU 77 2HB GLU 77 -1.107 14.985 -5.590 484 2HB GLU 77 1HB GLU 77 -1.484 13.428 -4.854 485 1HG GLU 77 2HG GLU 77 0.808 12.828 -4.683 486 2HG GLU 77 1HG GLU 77 1.304 14.108 -5.792 487 H GLY 78 H GLY 78 0.160 12.304 -9.009 488 1HA GLY 78 2HA GLY 78 1.896 12.942 -10.466 489 2HA GLY 78 1HA GLY 78 1.104 14.517 -10.423 490 H THR 79 H THR 79 2.813 12.744 -7.842 491 HA THR 79 HA THR 79 4.850 14.935 -7.778 492 HB THR 79 HB THR 79 3.241 13.803 -5.468 493 HG1 THR 79 HG1 THR 79 2.813 16.240 -5.452 494 1HG2 THR 79 1HG2 THR 79 4.523 15.112 -4.011 495 2HG2 THR 79 2HG2 THR 79 5.133 16.133 -5.313 496 3HG2 THR 79 3HG2 THR 79 5.736 14.486 -5.128 497 HA PRO 80 HA PRO 80 7.231 11.137 -7.631 498 1HB PRO 80 2HB PRO 80 9.671 12.339 -7.915 499 2HB PRO 80 1HB PRO 80 8.576 12.032 -9.279 500 1HG PRO 80 2HG PRO 80 9.059 14.558 -7.775 501 2HG PRO 80 1HG PRO 80 8.794 14.308 -9.509 502 1HD PRO 80 2HD PRO 80 6.855 15.207 -7.810 503 2HD PRO 80 1HD PRO 80 6.511 14.287 -9.292 504 H VAL 81 H VAL 81 7.744 10.167 -5.710 505 HA VAL 81 HA VAL 81 8.518 11.844 -3.387 506 HB VAL 81 HB VAL 81 7.651 8.979 -3.749 507 1HG1 VAL 81 1HG1 VAL 81 7.971 8.562 -1.513 508 2HG1 VAL 81 2HG1 VAL 81 7.725 10.249 -1.061 509 3HG1 VAL 81 3HG1 VAL 81 9.267 9.735 -1.743 510 1HG2 VAL 81 1HG2 VAL 81 6.301 11.525 -3.293 511 2HG2 VAL 81 2HG2 VAL 81 5.887 10.314 -2.078 512 3HG2 VAL 81 3HG2 VAL 81 5.633 9.973 -3.784 513 H GLY 82 H GLY 82 9.553 8.792 -4.905 514 1HA GLY 82 2HA GLY 82 12.313 9.415 -5.020 515 2HA GLY 82 1HA GLY 82 12.021 8.594 -3.484 516 H SER 83 H SER 83 13.508 6.966 -4.625 517 HA SER 83 HA SER 83 12.106 5.301 -6.644 518 1HB SER 83 2HB SER 83 14.886 5.142 -5.451 519 2HB SER 83 1HB SER 83 14.318 4.265 -6.868 520 HG SER 83 HG SER 83 15.510 6.353 -7.164 521 H VAL 84 H VAL 84 11.979 2.936 -6.274 522 HA VAL 84 HA VAL 84 11.908 2.193 -3.369 523 HB VAL 84 HB VAL 84 9.914 1.810 -5.601 524 1HG1 VAL 84 1HG1 VAL 84 10.183 0.208 -3.048 525 2HG1 VAL 84 2HG1 VAL 84 10.145 -0.407 -4.699 526 3HG1 VAL 84 3HG1 VAL 84 8.691 0.290 -3.984 527 1HG2 VAL 84 1HG2 VAL 84 9.141 2.412 -2.803 528 2HG2 VAL 84 2HG2 VAL 84 8.545 3.108 -4.309 529 3HG2 VAL 84 3HG2 VAL 84 10.071 3.664 -3.626 530 H ASP 85 H ASP 85 12.407 -0.033 -2.934 531 HA ASP 85 HA ASP 85 13.198 -1.791 -5.183 532 1HB ASP 85 2HB ASP 85 15.009 -0.042 -3.895 533 2HB ASP 85 1HB ASP 85 15.371 -1.657 -3.284 534 H CYS 86 H CYS 86 12.073 -3.594 -4.530 535 HA CYS 86 HA CYS 86 11.683 -4.272 -1.715 536 1HB CYS 86 2HB CYS 86 10.134 -4.600 -3.757 537 2HB CYS 86 1HB CYS 86 11.142 -5.998 -4.130 538 H ALA 87 H ALA 87 14.206 -4.828 -3.944 539 HA ALA 87 HA ALA 87 15.069 -7.452 -3.566 540 1HB ALA 87 1HB ALA 87 16.319 -6.039 -4.991 541 2HB ALA 87 2HB ALA 87 17.403 -6.287 -3.622 542 3HB ALA 87 3HB ALA 87 16.476 -4.792 -3.753 543 H THR 88 H THR 88 15.661 -4.673 -1.445 544 HA THR 88 HA THR 88 16.265 -6.585 0.785 545 HB THR 88 HB THR 88 18.289 -5.463 0.137 546 HG1 THR 88 HG1 THR 88 18.695 -4.239 1.961 547 1HG2 THR 88 1HG2 THR 88 17.930 -2.750 0.296 548 2HG2 THR 88 2HG2 THR 88 16.408 -3.271 -0.427 549 3HG2 THR 88 3HG2 THR 88 17.938 -3.672 -1.208 550 H ALA 89 H ALA 89 13.949 -4.616 -0.381 551 HA ALA 89 HA ALA 89 13.212 -3.479 2.280 552 1HB ALA 89 1HB ALA 89 13.707 -2.081 0.111 553 2HB ALA 89 2HB ALA 89 12.312 -1.660 1.104 554 3HB ALA 89 3HB ALA 89 12.093 -2.606 -0.367 555 H ALA 90 H ALA 90 10.695 -3.221 2.397 556 HA ALA 90 HA ALA 90 9.494 -5.848 1.630 557 1HB ALA 90 1HB ALA 90 9.520 -4.149 3.956 558 2HB ALA 90 2HB ALA 90 8.846 -5.771 3.790 559 3HB ALA 90 3HB ALA 90 7.856 -4.361 3.413 560 H CYS 91 H CYS 91 8.333 -5.691 -0.243 561 HA CYS 91 HA CYS 91 6.829 -3.154 -0.797 562 1HB CYS 91 2HB CYS 91 6.895 -4.037 -3.146 563 2HB CYS 91 1HB CYS 91 8.502 -3.810 -2.456 564 H ASN 92 H ASN 92 4.594 -3.321 -1.373 565 HA ASN 92 HA ASN 92 3.344 -6.024 -1.028 566 1HB ASN 92 2HB ASN 92 1.556 -4.781 0.272 567 2HB ASN 92 1HB ASN 92 3.130 -4.844 1.066 568 1HD2 ASN 92 1HD2 ASN 92 2.755 -2.823 2.232 569 2HD2 ASN 92 2HD2 ASN 92 2.754 -1.328 1.428 570 H LEU 93 H LEU 93 0.836 -5.644 -1.575 571 HA LEU 93 HA LEU 93 0.629 -3.966 -4.043 572 1HB LEU 93 2HB LEU 93 1.104 -6.320 -4.599 573 2HB LEU 93 1HB LEU 93 -0.248 -6.836 -3.591 574 HG LEU 93 HG LEU 93 -1.747 -5.405 -5.052 575 1HD1 LEU 93 1HD1 LEU 93 0.813 -5.307 -6.669 576 2HD1 LEU 93 2HD1 LEU 93 -0.117 -3.940 -6.054 577 3HD1 LEU 93 3HD1 LEU 93 -0.774 -4.945 -7.345 578 1HD2 LEU 93 1HD2 LEU 93 -1.913 -7.104 -6.778 579 2HD2 LEU 93 2HD2 LEU 93 -1.471 -7.902 -5.269 580 3HD2 LEU 93 3HD2 LEU 93 -0.245 -7.608 -6.502 581 H GLY 94 H GLY 94 -1.180 -2.661 -3.910 582 1HA GLY 94 2HA GLY 94 -3.343 -3.565 -2.044 583 2HA GLY 94 1HA GLY 94 -2.896 -1.868 -2.241 584 H ALA 95 H ALA 95 -5.483 -3.346 -2.748 585 HA ALA 95 HA ALA 95 -5.945 -2.209 -5.471 586 1HB ALA 95 1HB ALA 95 -6.674 -4.241 -6.348 587 2HB ALA 95 2HB ALA 95 -7.093 -4.887 -4.761 588 3HB ALA 95 3HB ALA 95 -5.403 -4.800 -5.260 589 H GLY 96 H GLY 96 -7.206 -0.553 -4.411 590 1HA GLY 96 2HA GLY 96 -9.915 -1.467 -3.647 591 2HA GLY 96 1HA GLY 96 -9.031 -0.532 -2.441 592 H ASN 97 H ASN 97 -11.359 0.553 -3.335 593 HA ASN 97 HA ASN 97 -10.544 2.624 -5.327 594 1HB ASN 97 2HB ASN 97 -12.440 1.076 -5.871 595 2HB ASN 97 1HB ASN 97 -13.302 1.704 -4.469 596 1HD2 ASN 97 1HD2 ASN 97 -14.901 3.076 -5.293 597 2HD2 ASN 97 2HD2 ASN 97 -14.633 4.279 -6.460 598 H SER 98 H SER 98 -11.831 4.771 -4.898 599 HA SER 98 HA SER 98 -11.024 5.935 -2.459 600 1HB SER 98 2HB SER 98 -11.975 6.849 -4.753 601 2HB SER 98 1HB SER 98 -13.506 6.836 -3.885 602 HG SER 98 HG SER 98 -11.132 8.011 -2.864 603 H GLY 99 H GLY 99 -13.816 3.973 -3.177 604 1HA GLY 99 2HA GLY 99 -15.041 4.669 -0.553 605 2HA GLY 99 1HA GLY 99 -15.855 3.804 -1.858 606 H LEU 100 H LEU 100 -14.910 1.604 -2.384 607 HA LEU 100 HA LEU 100 -14.797 -0.037 -0.041 608 1HB LEU 100 2HB LEU 100 -15.212 -0.350 -2.725 609 2HB LEU 100 1HB LEU 100 -13.595 -1.035 -2.553 610 HG LEU 100 HG LEU 100 -15.199 -1.959 -0.371 611 1HD1 LEU 100 1HD1 LEU 100 -16.448 -2.174 -3.117 612 2HD1 LEU 100 2HD1 LEU 100 -17.199 -1.613 -1.624 613 3HD1 LEU 100 3HD1 LEU 100 -16.809 -3.321 -1.827 614 1HD2 LEU 100 1HD2 LEU 100 -13.613 -3.031 -2.645 615 2HD2 LEU 100 2HD2 LEU 100 -14.793 -4.134 -1.936 616 3HD2 LEU 100 3HD2 LEU 100 -13.529 -3.430 -0.929 617 H ASP 101 H ASP 101 -12.996 -1.044 0.962 618 HA ASP 101 HA ASP 101 -10.364 0.252 0.403 619 1HB ASP 101 2HB ASP 101 -11.212 0.494 2.656 620 2HB ASP 101 1HB ASP 101 -11.546 -1.235 2.764 621 H LEU 102 H LEU 102 -12.053 -2.745 0.125 622 HA LEU 102 HA LEU 102 -11.305 -4.944 -0.354 623 1HB LEU 102 2HB LEU 102 -10.100 -2.898 -2.058 624 2HB LEU 102 1HB LEU 102 -9.130 -4.369 -2.008 625 HG LEU 102 HG LEU 102 -12.117 -4.379 -2.499 626 1HD1 LEU 102 1HD1 LEU 102 -11.618 -4.630 -4.869 627 2HD1 LEU 102 2HD1 LEU 102 -9.886 -4.568 -4.544 628 3HD1 LEU 102 3HD1 LEU 102 -10.882 -3.136 -4.287 629 1HD2 LEU 102 1HD2 LEU 102 -10.114 -6.485 -3.295 630 2HD2 LEU 102 2HD2 LEU 102 -11.846 -6.658 -3.011 631 3HD2 LEU 102 3HD2 LEU 102 -10.747 -6.438 -1.650 632 H GLY 103 H GLY 103 -8.585 -5.762 -0.933 633 1HA GLY 103 2HA GLY 103 -7.314 -5.299 1.732 634 2HA GLY 103 1HA GLY 103 -7.350 -6.889 0.975 635 H HIS 104 H HIS 104 -4.925 -6.291 1.528 636 HA HIS 104 HA HIS 104 -3.686 -5.306 -1.009 637 1HB HIS 104 2HB HIS 104 -1.897 -4.370 0.621 638 2HB HIS 104 1HB HIS 104 -3.428 -3.502 0.518 639 HD1 HIS 104 HD1 HIS 104 -1.478 -5.811 2.764 640 HD2 HIS 104 HD2 HIS 104 -5.043 -3.651 2.843 641 HE1 HIS 104 HE1 HIS 104 -2.313 -5.890 5.156 642 H VAL 105 H VAL 105 -2.668 -7.096 -1.831 643 HA VAL 105 HA VAL 105 -1.757 -9.268 -0.051 644 HB VAL 105 HB VAL 105 -1.670 -8.820 -3.052 645 1HG1 VAL 105 1HG1 VAL 105 -0.206 -10.546 -3.043 646 2HG1 VAL 105 2HG1 VAL 105 -1.558 -11.547 -2.523 647 3HG1 VAL 105 3HG1 VAL 105 -0.469 -10.854 -1.328 648 1HG2 VAL 105 1HG2 VAL 105 -3.728 -9.810 -3.150 649 2HG2 VAL 105 2HG2 VAL 105 -3.860 -9.246 -1.486 650 3HG2 VAL 105 3HG2 VAL 105 -3.372 -10.908 -1.817 651 H ALA 106 H ALA 106 0.258 -9.197 0.849 652 HA ALA 106 HA ALA 106 2.283 -7.315 -0.110 653 1HB ALA 106 1HB ALA 106 3.530 -8.227 1.820 654 2HB ALA 106 2HB ALA 106 2.329 -9.508 1.985 655 3HB ALA 106 3HB ALA 106 1.872 -7.830 2.274 656 H LEU 107 H LEU 107 4.120 -7.829 -1.295 657 HA LEU 107 HA LEU 107 4.325 -10.653 -2.302 658 1HB LEU 107 2HB LEU 107 5.486 -8.163 -3.570 659 2HB LEU 107 1HB LEU 107 5.069 -9.688 -4.342 660 HG LEU 107 HG LEU 107 3.069 -7.761 -3.134 661 1HD1 LEU 107 1HD1 LEU 107 4.092 -8.209 -5.927 662 2HD1 LEU 107 2HD1 LEU 107 3.800 -6.688 -5.084 663 3HD1 LEU 107 3HD1 LEU 107 2.440 -7.645 -5.672 664 1HD2 LEU 107 1HD2 LEU 107 2.763 -10.326 -4.728 665 2HD2 LEU 107 2HD2 LEU 107 1.435 -9.229 -4.348 666 3HD2 LEU 107 3HD2 LEU 107 2.285 -10.068 -3.051 667 H THR 108 H THR 108 6.668 -11.229 -2.914 668 HA THR 108 HA THR 108 8.688 -9.863 -1.195 669 HB THR 108 HB THR 108 8.672 -12.825 -1.160 670 HG1 THR 108 HG1 THR 108 6.483 -12.425 -0.909 671 1HG2 THR 108 1HG2 THR 108 9.246 -10.553 0.713 672 2HG2 THR 108 2HG2 THR 108 10.298 -11.880 0.221 673 3HG2 THR 108 3HG2 THR 108 8.983 -12.173 1.358 674 H PHE 109 H PHE 109 10.453 -9.509 -2.456 675 HA PHE 109 HA PHE 109 10.782 -11.085 -4.948 676 1HB PHE 109 2HB PHE 109 11.817 -8.499 -3.795 677 2HB PHE 109 1HB PHE 109 12.604 -9.223 -5.202 678 HD1 PHE 109 HD1 PHE 109 9.318 -8.002 -3.907 679 HD2 PHE 109 HD2 PHE 109 11.633 -9.083 -7.356 680 HE1 PHE 109 HE1 PHE 109 7.542 -7.092 -5.383 681 HE2 PHE 109 HE2 PHE 109 9.864 -8.172 -8.834 682 HZ PHE 109 HZ PHE 109 7.808 -7.181 -7.850 683 H GLY 110 H GLY 110 12.658 -12.326 -5.360 684 1HA GLY 110 2HA GLY 110 15.084 -12.346 -3.993 685 2HA GLY 110 1HA GLY 110 14.033 -13.398 -3.044 686 2H2' ROM 111 2H2' ROM 111 -11.114 5.424 -6.945 687 2H3' ROM 111 2H3' ROM 111 -8.426 5.299 -8.032 688 H'1 ROM 111 H'1 ROM 111 -4.482 5.683 -8.466 689 3H18 ROM 111 3H18 ROM 111 -2.591 0.385 -3.005 690 2H18 ROM 111 2H18 ROM 111 -4.116 -0.159 -2.496 691 2H23 ROM 111 2H23 ROM 111 -8.226 1.352 -1.401 692 H1' ROM 111 H1' ROM 111 -7.847 6.656 -6.143 693 H2' ROM 111 H2' ROM 111 -10.664 7.510 -6.737 694 H3' ROM 111 H3' ROM 111 -10.035 6.867 -9.004 695 H4' ROM 111 H4' ROM 111 -9.555 9.167 -8.472 696 1H6B ROM 111 1H6B ROM 111 -8.420 10.939 -7.073 697 3H6B ROM 111 3H6B ROM 111 -6.746 10.642 -6.605 698 2H6B ROM 111 2H6B ROM 111 -7.197 10.643 -8.310 699 1H6A ROM 111 1H6A ROM 111 -5.895 8.541 -8.145 700 3H6A ROM 111 3H6A ROM 111 -5.932 8.262 -6.403 701 2H6A ROM 111 2H6A ROM 111 -6.661 7.094 -7.500 702 1H4B ROM 111 1H4B ROM 111 -7.273 6.818 -10.233 703 3H4B ROM 111 3H4B ROM 111 -8.981 7.107 -10.609 704 2H4B ROM 111 2H4B ROM 111 -7.716 7.839 -11.613 705 1H4A ROM 111 1H4A ROM 111 -8.231 9.805 -11.482 706 3H4A ROM 111 3H4A ROM 111 -9.590 9.867 -10.346 707 2H4A ROM 111 2H4A ROM 111 -8.102 10.767 -9.998 708 H'8 ROM 111 H'8 ROM 111 0.065 5.989 -7.577 709 H'6 ROM 111 H'6 ROM 111 -0.390 6.965 -11.705 710 1H3A ROM 111 1H3A ROM 111 -5.101 7.081 -13.417 711 2H3A ROM 111 2H3A ROM 111 -5.599 5.322 -13.128 712 1H7A ROM 111 1H7A ROM 111 0.933 8.700 -9.502 713 3H7A ROM 111 3H7A ROM 111 1.547 7.865 -8.075 714 2H7A ROM 111 2H7A ROM 111 2.638 8.259 -9.404 715 H3 ROM 111 H3 ROM 111 -4.413 5.965 -5.727 716 H6 ROM 111 H6 ROM 111 -7.217 2.468 -3.683 717 H5 ROM 111 H5 ROM 111 -5.190 1.810 -4.938 718 H12 ROM 111 H12 ROM 111 -5.095 8.197 -4.323 719 H8 ROM 111 H8 ROM 111 -8.996 4.701 -3.435 720 H13 ROM 111 H13 ROM 111 -3.499 2.434 -6.535 721 H10 ROM 111 H10 ROM 111 -8.538 7.932 -1.864 722 H11 ROM 111 H11 ROM 111 -6.380 9.324 -2.398 723 2H14 ROM 111 2H14 ROM 111 -1.285 2.997 -5.712 724 1H14 ROM 111 1H14 ROM 111 -1.909 4.416 -4.877 725 2H17 ROM 111 2H17 ROM 111 -1.316 1.521 -1.812 726 1H17 ROM 111 1H17 ROM 111 -1.882 2.820 -0.767 727 H18 ROM 111 H18 ROM 111 -3.406 0.900 -0.614 728 H20 ROM 111 H20 ROM 111 -3.427 4.267 -1.306 729 H24 ROM 111 H24 ROM 111 -6.029 0.903 -1.348 730 4H18 ROM 111 4H18 ROM 111 -3.991 1.228 -3.469 Start of MODEL 22 1 1H ALA 1 1H ALA 1 -19.351 -9.292 1.140 2 2H ALA 1 2H ALA 1 -19.484 -8.672 2.715 3 3H ALA 1 3H ALA 1 -18.727 -10.170 2.454 4 HA ALA 1 HA ALA 1 -17.712 -7.462 1.820 5 1HB ALA 1 1HB ALA 1 -17.475 -8.875 4.019 6 2HB ALA 1 2HB ALA 1 -16.044 -8.090 3.349 7 3HB ALA 1 3HB ALA 1 -16.315 -9.811 3.077 8 HA PRO 2 HA PRO 2 -16.039 -9.223 -1.853 9 1HB PRO 2 2HB PRO 2 -14.231 -7.260 -2.439 10 2HB PRO 2 1HB PRO 2 -15.977 -7.078 -2.696 11 1HG PRO 2 2HG PRO 2 -14.265 -5.993 -0.533 12 2HG PRO 2 1HG PRO 2 -15.702 -5.296 -1.298 13 1HD PRO 2 2HD PRO 2 -15.667 -6.540 1.183 14 2HD PRO 2 1HD PRO 2 -17.115 -6.301 0.179 15 H ALA 3 H ALA 3 -13.850 -9.937 -2.691 16 HA ALA 3 HA ALA 3 -11.764 -10.150 -0.571 17 1HB ALA 3 1HB ALA 3 -11.668 -12.613 -1.080 18 2HB ALA 3 2HB ALA 3 -13.106 -12.412 -2.081 19 3HB ALA 3 3HB ALA 3 -13.189 -12.107 -0.346 20 H PHE 4 H PHE 4 -9.711 -10.031 -1.423 21 HA PHE 4 HA PHE 4 -9.389 -10.301 -4.395 22 1HB PHE 4 2HB PHE 4 -9.431 -7.956 -3.789 23 2HB PHE 4 1HB PHE 4 -8.328 -8.235 -2.443 24 HD1 PHE 4 HD1 PHE 4 -8.578 -7.316 -5.869 25 HD2 PHE 4 HD2 PHE 4 -5.989 -9.258 -3.044 26 HE1 PHE 4 HE1 PHE 4 -6.650 -6.933 -7.377 27 HE2 PHE 4 HE2 PHE 4 -4.061 -8.874 -4.554 28 HZ PHE 4 HZ PHE 4 -4.390 -7.711 -6.719 29 H SER 5 H SER 5 -7.713 -11.729 -4.928 30 HA SER 5 HA SER 5 -5.470 -12.063 -3.006 31 1HB SER 5 2HB SER 5 -7.262 -13.592 -2.278 32 2HB SER 5 1HB SER 5 -7.315 -14.303 -3.888 33 HG SER 5 HG SER 5 -5.743 -14.954 -1.868 34 H VAL 6 H VAL 6 -3.693 -13.301 -3.912 35 HA VAL 6 HA VAL 6 -3.718 -13.504 -6.906 36 HB VAL 6 HB VAL 6 -2.474 -11.553 -5.950 37 1HG1 VAL 6 1HG1 VAL 6 -0.538 -11.917 -4.534 38 2HG1 VAL 6 2HG1 VAL 6 -0.718 -13.667 -4.666 39 3HG1 VAL 6 3HG1 VAL 6 -1.921 -12.721 -3.790 40 1HG2 VAL 6 1HG2 VAL 6 -1.195 -13.756 -7.477 41 2HG2 VAL 6 2HG2 VAL 6 -0.105 -12.533 -6.836 42 3HG2 VAL 6 3HG2 VAL 6 -1.413 -12.068 -7.920 43 H SER 7 H SER 7 -2.225 -15.254 -7.714 44 HA SER 7 HA SER 7 -2.321 -17.617 -6.061 45 1HB SER 7 2HB SER 7 -1.566 -16.833 -8.769 46 2HB SER 7 1HB SER 7 -0.508 -18.084 -8.125 47 HG SER 7 HG SER 7 -3.303 -18.264 -7.816 48 HA PRO 8 HA PRO 8 2.240 -17.091 -5.264 49 1HB PRO 8 2HB PRO 8 3.840 -15.524 -6.808 50 2HB PRO 8 1HB PRO 8 3.385 -17.172 -7.268 51 1HG PRO 8 2HG PRO 8 2.475 -14.609 -8.372 52 2HG PRO 8 1HG PRO 8 2.476 -16.217 -9.106 53 1HD PRO 8 2HD PRO 8 0.258 -14.843 -7.939 54 2HD PRO 8 1HD PRO 8 0.309 -16.484 -8.595 55 H ALA 9 H ALA 9 3.732 -15.494 -4.127 56 HA ALA 9 HA ALA 9 3.015 -12.670 -4.075 57 1HB ALA 9 1HB ALA 9 1.087 -13.782 -2.950 58 2HB ALA 9 2HB ALA 9 1.960 -12.692 -1.874 59 3HB ALA 9 3HB ALA 9 2.202 -14.434 -1.750 60 H SER 10 H SER 10 5.375 -14.604 -4.083 61 HA SER 10 HA SER 10 7.062 -13.057 -2.264 62 1HB SER 10 2HB SER 10 6.352 -15.948 -1.756 63 2HB SER 10 1HB SER 10 7.746 -15.168 -1.017 64 HG SER 10 HG SER 10 5.189 -15.077 -0.271 65 H GLY 11 H GLY 11 9.395 -13.889 -2.432 66 1HA GLY 11 2HA GLY 11 11.179 -14.294 -3.922 67 2HA GLY 11 1HA GLY 11 10.340 -15.825 -4.179 68 H LEU 12 H LEU 12 8.968 -12.694 -4.974 69 HA LEU 12 HA LEU 12 8.286 -13.492 -7.657 70 1HB LEU 12 2HB LEU 12 8.440 -10.772 -6.329 71 2HB LEU 12 1HB LEU 12 7.533 -11.149 -7.795 72 HG LEU 12 HG LEU 12 7.065 -12.296 -5.029 73 1HD1 LEU 12 1HD1 LEU 12 4.940 -10.966 -6.623 74 2HD1 LEU 12 2HD1 LEU 12 6.216 -9.919 -5.999 75 3HD1 LEU 12 3HD1 LEU 12 5.258 -10.898 -4.889 76 1HD2 LEU 12 1HD2 LEU 12 5.862 -12.967 -7.729 77 2HD2 LEU 12 2HD2 LEU 12 5.099 -13.405 -6.200 78 3HD2 LEU 12 3HD2 LEU 12 6.681 -14.063 -6.616 79 H SER 13 H SER 13 8.939 -11.343 -9.267 80 HA SER 13 HA SER 13 11.838 -10.829 -9.168 81 1HB SER 13 2HB SER 13 10.545 -12.943 -10.791 82 2HB SER 13 1HB SER 13 11.726 -11.953 -11.643 83 HG SER 13 HG SER 13 12.063 -13.499 -9.288 84 H ASP 14 H ASP 14 12.491 -9.314 -10.887 85 HA ASP 14 HA ASP 14 10.493 -7.334 -11.512 86 1HB ASP 14 2HB ASP 14 13.064 -7.179 -11.205 87 2HB ASP 14 1HB ASP 14 13.154 -7.690 -12.891 88 H GLY 15 H GLY 15 9.077 -7.315 -13.213 89 1HA GLY 15 2HA GLY 15 8.428 -7.578 -15.505 90 2HA GLY 15 1HA GLY 15 9.821 -8.633 -15.744 91 H GLN 16 H GLN 16 9.114 -10.121 -13.236 92 HA GLN 16 HA GLN 16 7.735 -12.321 -14.339 93 1HB GLN 16 2HB GLN 16 9.091 -12.336 -12.287 94 2HB GLN 16 1HB GLN 16 7.894 -11.325 -11.478 95 1HG GLN 16 2HG GLN 16 6.187 -13.125 -11.907 96 2HG GLN 16 1HG GLN 16 7.493 -14.146 -12.506 97 1HE2 GLN 16 1HE2 GLN 16 5.874 -14.683 -10.107 98 2HE2 GLN 16 2HE2 GLN 16 6.942 -14.685 -8.796 99 H SER 17 H SER 17 5.521 -13.003 -14.172 100 HA SER 17 HA SER 17 3.589 -10.795 -13.530 101 1HB SER 17 2HB SER 17 4.040 -11.654 -15.961 102 2HB SER 17 1HB SER 17 3.083 -13.047 -15.467 103 HG SER 17 HG SER 17 2.339 -10.312 -15.547 104 H VAL 18 H VAL 18 2.153 -11.299 -11.923 105 HA VAL 18 HA VAL 18 1.922 -14.142 -11.037 106 HB VAL 18 HB VAL 18 1.178 -13.113 -8.932 107 1HG1 VAL 18 1HG1 VAL 18 3.549 -13.258 -9.093 108 2HG1 VAL 18 2HG1 VAL 18 3.226 -11.615 -8.541 109 3HG1 VAL 18 3HG1 VAL 18 3.631 -11.915 -10.231 110 1HG2 VAL 18 1HG2 VAL 18 0.039 -11.182 -10.282 111 2HG2 VAL 18 2HG2 VAL 18 1.610 -10.392 -10.161 112 3HG2 VAL 18 3HG2 VAL 18 0.719 -10.816 -8.698 113 H SER 19 H SER 19 -0.254 -15.000 -10.626 114 HA SER 19 HA SER 19 -2.292 -13.865 -12.458 115 1HB SER 19 2HB SER 19 -2.272 -16.371 -10.759 116 2HB SER 19 1HB SER 19 -3.384 -16.020 -12.077 117 HG SER 19 HG SER 19 -1.499 -17.364 -12.594 118 H VAL 20 H VAL 20 -3.647 -12.331 -11.582 119 HA VAL 20 HA VAL 20 -4.268 -12.481 -8.674 120 HB VAL 20 HB VAL 20 -4.664 -10.343 -10.791 121 1HG1 VAL 20 1HG1 VAL 20 -6.369 -10.000 -9.172 122 2HG1 VAL 20 2HG1 VAL 20 -5.061 -8.928 -8.676 123 3HG1 VAL 20 3HG1 VAL 20 -5.308 -10.460 -7.840 124 1HG2 VAL 20 1HG2 VAL 20 -2.306 -10.815 -10.101 125 2HG2 VAL 20 2HG2 VAL 20 -2.764 -10.481 -8.431 126 3HG2 VAL 20 3HG2 VAL 20 -2.845 -9.200 -9.641 127 H SER 21 H SER 21 -6.580 -11.881 -8.128 128 HA SER 21 HA SER 21 -8.662 -12.374 -10.119 129 1HB SER 21 2HB SER 21 -9.344 -14.530 -9.311 130 2HB SER 21 1HB SER 21 -7.603 -14.633 -9.559 131 HG SER 21 HG SER 21 -8.899 -15.146 -7.364 132 H VAL 22 H VAL 22 -10.238 -10.987 -9.415 133 HA VAL 22 HA VAL 22 -10.528 -10.558 -6.484 134 HB VAL 22 HB VAL 22 -11.520 -8.820 -8.749 135 1HG1 VAL 22 1HG1 VAL 22 -10.909 -8.442 -5.815 136 2HG1 VAL 22 2HG1 VAL 22 -12.422 -8.130 -6.666 137 3HG1 VAL 22 3HG1 VAL 22 -11.037 -7.068 -6.915 138 1HG2 VAL 22 1HG2 VAL 22 -8.803 -8.698 -7.392 139 2HG2 VAL 22 2HG2 VAL 22 -9.404 -7.575 -8.610 140 3HG2 VAL 22 3HG2 VAL 22 -9.079 -9.253 -9.043 141 H SER 23 H SER 23 -12.664 -10.672 -5.597 142 HA SER 23 HA SER 23 -14.944 -11.266 -7.375 143 1HB SER 23 2HB SER 23 -15.243 -13.504 -6.622 144 2HB SER 23 1HB SER 23 -13.522 -13.374 -6.976 145 HG SER 23 HG SER 23 -14.601 -14.105 -4.728 146 H GLY 24 H GLY 24 -16.676 -10.267 -6.445 147 1HA GLY 24 2HA GLY 24 -18.077 -10.391 -4.277 148 2HA GLY 24 1HA GLY 24 -16.611 -9.803 -3.500 149 H ALA 25 H ALA 25 -15.944 -8.043 -5.805 150 HA ALA 25 HA ALA 25 -17.142 -5.626 -4.931 151 1HB ALA 25 1HB ALA 25 -15.306 -5.152 -6.198 152 2HB ALA 25 2HB ALA 25 -16.414 -5.204 -7.568 153 3HB ALA 25 3HB ALA 25 -15.473 -6.633 -7.140 154 H ALA 26 H ALA 26 -18.094 -4.447 -7.411 155 HA ALA 26 HA ALA 26 -20.457 -6.090 -8.160 156 1HB ALA 26 1HB ALA 26 -21.998 -4.417 -7.403 157 2HB ALA 26 2HB ALA 26 -20.695 -3.265 -7.112 158 3HB ALA 26 3HB ALA 26 -20.866 -4.682 -6.076 159 H ALA 27 H ALA 27 -21.088 -5.735 -10.250 160 HA ALA 27 HA ALA 27 -19.517 -4.474 -12.172 161 1HB ALA 27 1HB ALA 27 -21.882 -5.896 -12.048 162 2HB ALA 27 2HB ALA 27 -21.168 -5.254 -13.527 163 3HB ALA 27 3HB ALA 27 -22.409 -4.335 -12.679 164 H GLY 28 H GLY 28 -19.268 -2.385 -12.859 165 1HA GLY 28 2HA GLY 28 -20.159 -0.150 -13.303 166 2HA GLY 28 1HA GLY 28 -21.180 -0.334 -11.878 167 H GLU 29 H GLU 29 -18.275 -1.638 -11.029 168 HA GLU 29 HA GLU 29 -17.361 0.976 -9.882 169 1HB GLU 29 2HB GLU 29 -17.182 -1.879 -8.882 170 2HB GLU 29 1HB GLU 29 -16.447 -0.497 -8.068 171 1HG GLU 29 2HG GLU 29 -19.404 -0.769 -8.690 172 2HG GLU 29 1HG GLU 29 -18.673 -1.064 -7.112 173 H THR 30 H THR 30 -15.214 1.528 -10.151 174 HA THR 30 HA THR 30 -13.502 -0.367 -11.722 175 HB THR 30 HB THR 30 -13.323 2.649 -11.730 176 HG1 THR 30 HG1 THR 30 -15.054 0.935 -13.163 177 1HG2 THR 30 1HG2 THR 30 -11.875 0.547 -12.939 178 2HG2 THR 30 2HG2 THR 30 -11.722 2.274 -13.261 179 3HG2 THR 30 3HG2 THR 30 -12.827 1.291 -14.223 180 H TYR 31 H TYR 31 -11.948 -1.140 -10.335 181 HA TYR 31 HA TYR 31 -11.004 0.576 -8.103 182 1HB TYR 31 2HB TYR 31 -10.492 -2.324 -8.844 183 2HB TYR 31 1HB TYR 31 -10.011 -1.552 -7.331 184 HD1 TYR 31 HD1 TYR 31 -11.936 -0.341 -6.000 185 HD2 TYR 31 HD2 TYR 31 -12.573 -3.386 -8.964 186 HE1 TYR 31 HE1 TYR 31 -14.183 -0.795 -5.051 187 HE2 TYR 31 HE2 TYR 31 -14.818 -3.838 -8.016 188 HH TYR 31 HH TYR 31 -16.530 -2.585 -6.666 189 H TYR 32 H TYR 32 -8.672 0.784 -7.753 190 HA TYR 32 HA TYR 32 -7.100 0.684 -10.306 191 1HB TYR 32 2HB TYR 32 -6.628 2.580 -7.996 192 2HB TYR 32 1HB TYR 32 -6.162 2.775 -9.685 193 HD1 TYR 32 HD1 TYR 32 -9.136 2.570 -7.429 194 HD2 TYR 32 HD2 TYR 32 -7.587 3.898 -11.210 195 HE1 TYR 32 HE1 TYR 32 -11.252 3.785 -7.868 196 HE2 TYR 32 HE2 TYR 32 -9.705 5.115 -11.649 197 HH TYR 32 HH TYR 32 -12.437 4.576 -10.361 198 H ILE 33 H ILE 33 -6.041 -1.313 -9.893 199 HA ILE 33 HA ILE 33 -4.811 -1.824 -7.264 200 HB ILE 33 HB ILE 33 -5.866 -3.569 -8.690 201 1HG1 ILE 33 2HG1 ILE 33 -3.007 -4.362 -8.745 202 2HG1 ILE 33 1HG1 ILE 33 -3.605 -3.784 -7.190 203 1HG2 ILE 33 1HG2 ILE 33 -5.369 -2.825 -10.894 204 2HG2 ILE 33 2HG2 ILE 33 -4.432 -4.305 -10.685 205 3HG2 ILE 33 3HG2 ILE 33 -3.641 -2.734 -10.553 206 1HD1 ILE 33 1HD1 ILE 33 -4.110 -6.313 -8.508 207 2HD1 ILE 33 2HD1 ILE 33 -5.626 -5.472 -8.181 208 3HD1 ILE 33 3HD1 ILE 33 -4.508 -5.818 -6.862 209 H ALA 34 H ALA 34 -2.522 -1.937 -6.915 210 HA ALA 34 HA ALA 34 -0.612 -1.334 -9.020 211 1HB ALA 34 1HB ALA 34 -1.966 0.826 -8.422 212 2HB ALA 34 2HB ALA 34 -0.212 0.939 -8.559 213 3HB ALA 34 3HB ALA 34 -0.967 0.843 -6.968 214 H GLN 35 H GLN 35 1.559 -1.502 -8.248 215 HA GLN 35 HA GLN 35 1.820 -2.843 -5.622 216 1HB GLN 35 2HB GLN 35 2.856 -3.854 -7.566 217 2HB GLN 35 1HB GLN 35 3.661 -2.339 -7.978 218 1HG GLN 35 2HG GLN 35 5.215 -2.535 -6.265 219 2HG GLN 35 1HG GLN 35 4.150 -3.536 -5.275 220 1HE2 GLN 35 1HE2 GLN 35 4.481 -4.325 -8.678 221 2HE2 GLN 35 2HE2 GLN 35 5.435 -5.711 -8.463 222 H CYS 36 H CYS 36 2.579 -1.743 -3.840 223 HA CYS 36 HA CYS 36 3.965 0.878 -4.327 224 1HB CYS 36 2HB CYS 36 2.210 0.107 -1.986 225 2HB CYS 36 1HB CYS 36 2.774 1.722 -2.415 226 H ALA 37 H ALA 37 5.143 1.545 -2.190 227 HA ALA 37 HA ALA 37 6.235 -0.602 -0.538 228 1HB ALA 37 1HB ALA 37 8.564 -0.237 -1.455 229 2HB ALA 37 2HB ALA 37 7.842 0.723 -2.746 230 3HB ALA 37 3HB ALA 37 7.460 -0.992 -2.604 231 HA PRO 38 HA PRO 38 6.715 3.024 1.917 232 1HB PRO 38 2HB PRO 38 8.310 1.996 3.883 233 2HB PRO 38 1HB PRO 38 6.573 1.654 3.762 234 1HG PRO 38 2HG PRO 38 8.891 -0.024 2.934 235 2HG PRO 38 1HG PRO 38 7.360 -0.504 3.685 236 1HD PRO 38 2HD PRO 38 7.880 -0.788 1.017 237 2HD PRO 38 1HD PRO 38 6.244 -0.568 1.681 238 H VAL 39 H VAL 39 8.489 4.452 2.732 239 HA VAL 39 HA VAL 39 11.223 3.949 1.758 240 HB VAL 39 HB VAL 39 10.873 6.321 0.503 241 1HG1 VAL 39 1HG1 VAL 39 10.731 5.075 -1.563 242 2HG1 VAL 39 2HG1 VAL 39 10.069 3.673 -0.724 243 3HG1 VAL 39 3HG1 VAL 39 11.737 4.168 -0.435 244 1HG2 VAL 39 1HG2 VAL 39 8.442 6.386 1.108 245 2HG2 VAL 39 2HG2 VAL 39 8.202 4.904 0.186 246 3HG2 VAL 39 3HG2 VAL 39 8.706 6.380 -0.636 247 H GLY 40 H GLY 40 11.678 4.291 4.039 248 1HA GLY 40 2HA GLY 40 12.693 5.833 5.566 249 2HA GLY 40 1HA GLY 40 11.899 7.159 4.712 250 H GLY 41 H GLY 41 9.496 4.996 5.004 251 1HA GLY 41 2HA GLY 41 8.365 4.457 7.263 252 2HA GLY 41 1HA GLY 41 8.597 6.173 7.599 253 H GLN 42 H GLN 42 8.064 6.874 4.748 254 HA GLN 42 HA GLN 42 5.130 7.025 4.968 255 1HB GLN 42 2HB GLN 42 5.394 8.594 3.121 256 2HB GLN 42 1HB GLN 42 6.644 8.918 4.325 257 1HG GLN 42 2HG GLN 42 8.168 7.384 2.969 258 2HG GLN 42 1HG GLN 42 6.944 7.443 1.701 259 1HE2 GLN 42 1HE2 GLN 42 9.792 8.881 2.567 260 2HE2 GLN 42 2HE2 GLN 42 9.563 10.415 1.880 261 H ASP 43 H ASP 43 4.071 6.834 2.571 262 HA ASP 43 HA ASP 43 4.754 4.078 1.614 263 1HB ASP 43 2HB ASP 43 2.215 5.737 1.626 264 2HB ASP 43 1HB ASP 43 2.343 4.164 0.836 265 H ALA 44 H ALA 44 4.785 3.715 -0.689 266 HA ALA 44 HA ALA 44 4.643 6.117 -2.450 267 1HB ALA 44 1HB ALA 44 7.026 4.467 -1.715 268 2HB ALA 44 2HB ALA 44 6.921 6.197 -2.039 269 3HB ALA 44 3HB ALA 44 6.913 5.048 -3.376 270 H CYS 45 H CYS 45 2.932 5.245 -3.677 271 HA CYS 45 HA CYS 45 2.977 2.452 -4.582 272 1HB CYS 45 2HB CYS 45 1.202 4.862 -4.822 273 2HB CYS 45 1HB CYS 45 0.929 3.484 -5.885 274 H ASN 46 H ASN 46 2.710 2.020 -6.995 275 HA ASN 46 HA ASN 46 4.660 3.691 -8.518 276 1HB ASN 46 2HB ASN 46 5.058 1.249 -8.138 277 2HB ASN 46 1HB ASN 46 3.574 0.905 -9.025 278 1HD2 ASN 46 1HD2 ASN 46 5.589 -0.260 -10.278 279 2HD2 ASN 46 2HD2 ASN 46 6.183 0.639 -11.589 280 HA PRO 47 HA PRO 47 1.053 5.026 -10.778 281 1HB PRO 47 2HB PRO 47 2.344 6.837 -12.359 282 2HB PRO 47 1HB PRO 47 1.914 7.166 -10.669 283 1HG PRO 47 2HG PRO 47 4.542 6.418 -11.838 284 2HG PRO 47 1HG PRO 47 4.173 7.502 -10.488 285 1HD PRO 47 2HD PRO 47 5.087 4.914 -10.209 286 2HD PRO 47 1HD PRO 47 4.188 5.806 -8.963 287 H ALA 48 H ALA 48 4.156 4.228 -12.313 288 HA ALA 48 HA ALA 48 3.312 3.871 -14.978 289 1HB ALA 48 1HB ALA 48 5.640 3.841 -14.192 290 2HB ALA 48 2HB ALA 48 5.288 2.369 -15.096 291 3HB ALA 48 3HB ALA 48 5.339 2.330 -13.333 292 H THR 49 H THR 49 3.286 1.507 -12.303 293 HA THR 49 HA THR 49 1.895 -0.472 -14.013 294 HB THR 49 HB THR 49 2.132 -1.814 -11.849 295 HG1 THR 49 HG1 THR 49 2.748 -0.742 -10.174 296 1HG2 THR 49 1HG2 THR 49 4.146 -2.518 -12.618 297 2HG2 THR 49 2HG2 THR 49 4.864 -0.914 -12.466 298 3HG2 THR 49 3HG2 THR 49 3.900 -1.317 -13.886 299 H ALA 50 H ALA 50 0.475 2.016 -13.326 300 HA ALA 50 HA ALA 50 -1.496 1.262 -11.259 301 1HB ALA 50 1HB ALA 50 -0.630 3.561 -11.499 302 2HB ALA 50 2HB ALA 50 -2.369 3.521 -11.793 303 3HB ALA 50 3HB ALA 50 -1.247 3.622 -13.150 304 H THR 51 H THR 51 -2.696 -0.492 -12.143 305 HA THR 51 HA THR 51 -3.937 -0.092 -14.824 306 HB THR 51 HB THR 51 -4.481 -2.529 -14.518 307 HG1 THR 51 HG1 THR 51 -2.798 -2.359 -12.264 308 1HG2 THR 51 1HG2 THR 51 -2.543 -2.550 -15.682 309 2HG2 THR 51 2HG2 THR 51 -1.803 -3.013 -14.149 310 3HG2 THR 51 3HG2 THR 51 -1.808 -1.323 -14.651 311 H SER 52 H SER 52 -5.947 0.808 -14.806 312 HA SER 52 HA SER 52 -7.669 0.503 -12.388 313 1HB SER 52 2HB SER 52 -6.992 2.706 -13.700 314 2HB SER 52 1HB SER 52 -8.291 2.213 -14.783 315 HG SER 52 HG SER 52 -9.660 2.138 -12.939 316 H PHE 53 H PHE 53 -9.160 -1.143 -12.517 317 HA PHE 53 HA PHE 53 -10.330 -1.738 -15.212 318 1HB PHE 53 2HB PHE 53 -10.228 -4.124 -14.555 319 2HB PHE 53 1HB PHE 53 -8.626 -3.388 -14.555 320 HD1 PHE 53 HD1 PHE 53 -11.235 -4.924 -12.527 321 HD2 PHE 53 HD2 PHE 53 -7.567 -2.690 -12.390 322 HE1 PHE 53 HE1 PHE 53 -10.952 -5.534 -10.138 323 HE2 PHE 53 HE2 PHE 53 -7.284 -3.299 -10.003 324 HZ PHE 53 HZ PHE 53 -8.976 -4.720 -8.876 325 H THR 54 H THR 54 -12.426 -2.950 -15.004 326 HA THR 54 HA THR 54 -13.928 -2.095 -12.555 327 HB THR 54 HB THR 54 -14.776 -2.275 -15.463 328 HG1 THR 54 HG1 THR 54 -14.920 -0.010 -15.223 329 1HG2 THR 54 1HG2 THR 54 -16.922 -1.538 -14.792 330 2HG2 THR 54 2HG2 THR 54 -16.362 -1.130 -13.170 331 3HG2 THR 54 3HG2 THR 54 -16.512 -2.821 -13.654 332 H THR 55 H THR 55 -15.595 -3.604 -11.864 333 HA THR 55 HA THR 55 -14.918 -6.408 -12.397 334 HB THR 55 HB THR 55 -17.159 -6.513 -10.895 335 HG1 THR 55 HG1 THR 55 -17.752 -4.500 -10.626 336 1HG2 THR 55 1HG2 THR 55 -15.403 -7.375 -9.735 337 2HG2 THR 55 2HG2 THR 55 -15.325 -5.779 -8.990 338 3HG2 THR 55 3HG2 THR 55 -14.279 -6.165 -10.356 339 H ASP 56 H ASP 56 -16.963 -7.910 -12.721 340 HA ASP 56 HA ASP 56 -18.243 -7.013 -15.247 341 1HB ASP 56 2HB ASP 56 -17.202 -9.437 -14.121 342 2HB ASP 56 1HB ASP 56 -18.905 -9.686 -14.511 343 H ALA 57 H ALA 57 -20.570 -8.479 -15.244 344 HA ALA 57 HA ALA 57 -22.365 -6.882 -13.692 345 1HB ALA 57 1HB ALA 57 -23.873 -8.975 -14.397 346 2HB ALA 57 2HB ALA 57 -22.463 -9.335 -15.395 347 3HB ALA 57 3HB ALA 57 -23.319 -7.806 -15.593 348 H SER 58 H SER 58 -20.993 -10.098 -13.171 349 HA SER 58 HA SER 58 -22.546 -10.518 -10.708 350 1HB SER 58 2HB SER 58 -21.002 -12.572 -10.676 351 2HB SER 58 1HB SER 58 -22.081 -12.430 -12.062 352 HG SER 58 HG SER 58 -19.308 -11.994 -11.873 353 H GLY 59 H GLY 59 -20.139 -8.449 -11.338 354 1HA GLY 59 2HA GLY 59 -18.505 -7.404 -10.022 355 2HA GLY 59 1HA GLY 59 -19.321 -8.114 -8.633 356 H ALA 60 H ALA 60 -17.578 -9.604 -11.383 357 HA ALA 60 HA ALA 60 -15.624 -10.745 -9.430 358 1HB ALA 60 1HB ALA 60 -16.001 -12.939 -10.741 359 2HB ALA 60 2HB ALA 60 -17.470 -12.174 -11.345 360 3HB ALA 60 3HB ALA 60 -17.266 -12.451 -9.614 361 H ALA 61 H ALA 61 -13.588 -10.377 -10.226 362 HA ALA 61 HA ALA 61 -13.233 -10.279 -13.200 363 1HB ALA 61 1HB ALA 61 -13.087 -8.051 -12.353 364 2HB ALA 61 2HB ALA 61 -11.418 -8.573 -12.580 365 3HB ALA 61 3HB ALA 61 -12.129 -8.566 -10.965 366 H SER 62 H SER 62 -10.815 -10.552 -13.740 367 HA SER 62 HA SER 62 -9.067 -11.976 -11.933 368 1HB SER 62 2HB SER 62 -11.119 -13.417 -13.454 369 2HB SER 62 1HB SER 62 -9.497 -14.034 -13.750 370 HG SER 62 HG SER 62 -10.440 -15.035 -11.939 371 H PHE 63 H PHE 63 -6.999 -11.777 -12.812 372 HA PHE 63 HA PHE 63 -6.467 -11.972 -15.650 373 1HB PHE 63 2HB PHE 63 -6.102 -9.576 -16.064 374 2HB PHE 63 1HB PHE 63 -7.756 -9.842 -15.509 375 HD1 PHE 63 HD1 PHE 63 -4.750 -8.024 -14.938 376 HD2 PHE 63 HD2 PHE 63 -8.155 -9.702 -12.927 377 HE1 PHE 63 HE1 PHE 63 -4.338 -6.525 -13.003 378 HE2 PHE 63 HE2 PHE 63 -7.746 -8.204 -10.996 379 HZ PHE 63 HZ PHE 63 -5.842 -6.621 -11.029 380 H SER 64 H SER 64 -4.150 -11.224 -16.111 381 HA SER 64 HA SER 64 -2.444 -11.952 -13.812 382 1HB SER 64 2HB SER 64 -1.980 -11.420 -16.754 383 2HB SER 64 1HB SER 64 -0.691 -11.867 -15.640 384 HG SER 64 HG SER 64 -1.977 -13.748 -15.140 385 H PHE 65 H PHE 65 -0.566 -10.600 -13.259 386 HA PHE 65 HA PHE 65 -0.742 -7.733 -14.006 387 1HB PHE 65 2HB PHE 65 -2.082 -7.920 -12.017 388 2HB PHE 65 1HB PHE 65 -0.882 -8.958 -11.244 389 HD1 PHE 65 HD1 PHE 65 1.106 -8.047 -10.233 390 HD2 PHE 65 HD2 PHE 65 -1.623 -5.509 -12.362 391 HE1 PHE 65 HE1 PHE 65 2.250 -6.052 -9.318 392 HE2 PHE 65 HE2 PHE 65 -0.481 -3.511 -11.448 393 HZ PHE 65 HZ PHE 65 1.461 -3.781 -9.923 394 H VAL 66 H VAL 66 1.312 -7.052 -14.489 395 HA VAL 66 HA VAL 66 3.604 -8.768 -13.859 396 HB VAL 66 HB VAL 66 3.642 -5.993 -15.045 397 1HG1 VAL 66 1HG1 VAL 66 5.360 -8.453 -15.137 398 2HG1 VAL 66 2HG1 VAL 66 5.833 -6.773 -14.878 399 3HG1 VAL 66 3HG1 VAL 66 5.386 -7.325 -16.494 400 1HG2 VAL 66 1HG2 VAL 66 1.967 -6.915 -16.389 401 2HG2 VAL 66 2HG2 VAL 66 2.576 -8.558 -16.195 402 3HG2 VAL 66 3HG2 VAL 66 3.413 -7.426 -17.256 403 H VAL 67 H VAL 67 5.502 -7.936 -12.709 404 HA VAL 67 HA VAL 67 4.838 -5.801 -10.710 405 HB VAL 67 HB VAL 67 6.278 -7.274 -9.174 406 1HG1 VAL 67 1HG1 VAL 67 4.379 -8.830 -8.740 407 2HG1 VAL 67 2HG1 VAL 67 3.644 -8.309 -10.256 408 3HG1 VAL 67 3HG1 VAL 67 3.855 -7.157 -8.938 409 1HG2 VAL 67 1HG2 VAL 67 7.159 -8.593 -11.201 410 2HG2 VAL 67 2HG2 VAL 67 5.594 -9.406 -11.204 411 3HG2 VAL 67 3HG2 VAL 67 6.654 -9.543 -9.804 412 H ARG 68 H ARG 68 6.921 -4.903 -9.708 413 HA ARG 68 HA ARG 68 9.240 -5.054 -11.582 414 1HB ARG 68 2HB ARG 68 7.424 -2.789 -10.957 415 2HB ARG 68 1HB ARG 68 9.144 -2.402 -11.016 416 1HG ARG 68 2HG ARG 68 9.082 -2.434 -13.265 417 2HG ARG 68 1HG ARG 68 8.550 -4.115 -13.227 418 1HD ARG 68 2HD ARG 68 6.194 -3.035 -12.658 419 2HD ARG 68 1HD ARG 68 6.902 -1.620 -13.464 420 HE ARG 68 HE ARG 68 6.574 -4.307 -14.726 421 1HH1 ARG 68 1HH1 ARG 68 8.822 -2.176 -15.434 422 2HH1 ARG 68 2HH1 ARG 68 8.140 -1.549 -16.899 423 1HH2 ARG 68 1HH2 ARG 68 5.022 -2.971 -16.371 424 2HH2 ARG 68 2HH2 ARG 68 5.989 -1.999 -17.428 425 H LYS 69 H LYS 69 10.727 -5.908 -10.136 426 HA LYS 69 HA LYS 69 10.897 -5.677 -7.372 427 1HB LYS 69 2HB LYS 69 12.329 -7.116 -8.709 428 2HB LYS 69 1HB LYS 69 13.075 -5.719 -9.484 429 1HG LYS 69 2HG LYS 69 13.944 -4.982 -7.277 430 2HG LYS 69 1HG LYS 69 13.247 -6.427 -6.543 431 1HD LYS 69 2HD LYS 69 15.284 -7.349 -6.976 432 2HD LYS 69 1HD LYS 69 14.654 -7.520 -8.614 433 1HE LYS 69 2HE LYS 69 15.541 -5.025 -8.869 434 2HE LYS 69 1HE LYS 69 16.616 -5.525 -7.547 435 1HZ LYS 69 1HZ LYS 69 16.249 -6.845 -10.178 436 2HZ LYS 69 2HZ LYS 69 17.029 -7.599 -8.870 437 3HZ LYS 69 3HZ LYS 69 17.675 -6.180 -9.546 438 H SER 70 H SER 70 12.511 -3.487 -9.723 439 HA SER 70 HA SER 70 12.760 -1.458 -7.521 440 1HB SER 70 2HB SER 70 14.577 -0.610 -9.162 441 2HB SER 70 1HB SER 70 14.906 -2.108 -8.295 442 HG SER 70 HG SER 70 14.846 -1.729 -10.897 443 H TYR 71 H TYR 71 11.908 0.621 -7.910 444 HA TYR 71 HA TYR 71 11.213 1.624 -10.531 445 1HB TYR 71 2HB TYR 71 8.853 1.213 -10.517 446 2HB TYR 71 1HB TYR 71 9.598 -0.323 -10.078 447 HD1 TYR 71 HD1 TYR 71 7.531 2.473 -8.922 448 HD2 TYR 71 HD2 TYR 71 9.622 -1.077 -7.698 449 HE1 TYR 71 HE1 TYR 71 6.285 2.474 -6.776 450 HE2 TYR 71 HE2 TYR 71 8.373 -1.074 -5.556 451 HH TYR 71 HH TYR 71 6.193 1.582 -4.701 452 H THR 72 H THR 72 10.637 3.842 -10.378 453 HA THR 72 HA THR 72 11.128 5.210 -7.912 454 HB THR 72 HB THR 72 9.540 6.190 -10.281 455 HG1 THR 72 HG1 THR 72 11.318 5.419 -11.219 456 1HG2 THR 72 1HG2 THR 72 11.185 7.467 -8.117 457 2HG2 THR 72 2HG2 THR 72 9.555 7.876 -8.651 458 3HG2 THR 72 3HG2 THR 72 10.944 8.290 -9.657 459 H GLY 73 H GLY 73 9.705 5.713 -6.237 460 1HA GLY 73 2HA GLY 73 6.874 4.864 -6.620 461 2HA GLY 73 1HA GLY 73 7.691 4.935 -5.063 462 H SER 74 H SER 74 5.252 6.152 -5.372 463 HA SER 74 HA SER 74 5.855 8.925 -4.673 464 1HB SER 74 2HB SER 74 4.248 9.666 -6.595 465 2HB SER 74 1HB SER 74 5.920 9.290 -7.003 466 HG SER 74 HG SER 74 3.730 8.178 -7.950 467 H THR 75 H THR 75 3.924 9.956 -3.752 468 HA THR 75 HA THR 75 2.033 8.037 -2.616 469 HB THR 75 HB THR 75 1.414 9.849 -1.245 470 HG1 THR 75 HG1 THR 75 0.901 11.645 -2.155 471 1HG2 THR 75 1HG2 THR 75 4.079 10.934 -2.102 472 2HG2 THR 75 2HG2 THR 75 3.984 9.327 -1.383 473 3HG2 THR 75 3HG2 THR 75 3.431 10.736 -0.475 474 HA PRO 76 HA PRO 76 -0.880 8.401 -5.925 475 1HB PRO 76 2HB PRO 76 -2.990 7.204 -4.658 476 2HB PRO 76 1HB PRO 76 -1.625 6.298 -5.334 477 1HG PRO 76 2HG PRO 76 -2.150 7.088 -2.511 478 2HG PRO 76 1HG PRO 76 -1.495 5.574 -3.155 479 1HD PRO 76 2HD PRO 76 0.069 7.502 -2.049 480 2HD PRO 76 1HD PRO 76 0.637 6.414 -3.336 481 H GLU 77 H GLU 77 -0.944 10.017 -2.965 482 HA GLU 77 HA GLU 77 -3.582 11.181 -3.023 483 1HB GLU 77 2HB GLU 77 -1.323 11.128 -1.376 484 2HB GLU 77 1HB GLU 77 -1.471 12.820 -1.855 485 1HG GLU 77 2HG GLU 77 -2.776 12.429 0.177 486 2HG GLU 77 1HG GLU 77 -3.864 12.776 -1.167 487 H GLY 78 H GLY 78 -0.466 12.077 -4.443 488 1HA GLY 78 2HA GLY 78 -1.170 13.364 -6.698 489 2HA GLY 78 1HA GLY 78 -1.580 14.597 -5.505 490 H THR 79 H THR 79 0.715 13.607 -3.771 491 HA THR 79 HA THR 79 2.825 15.187 -5.149 492 HB THR 79 HB THR 79 3.715 15.369 -2.868 493 HG1 THR 79 HG1 THR 79 3.093 14.059 -1.340 494 1HG2 THR 79 1HG2 THR 79 2.169 16.914 -2.253 495 2HG2 THR 79 2HG2 THR 79 0.855 15.737 -2.269 496 3HG2 THR 79 3HG2 THR 79 1.390 16.483 -3.776 497 HA PRO 80 HA PRO 80 5.101 11.474 -5.883 498 1HB PRO 80 2HB PRO 80 7.523 12.603 -6.452 499 2HB PRO 80 1HB PRO 80 6.153 12.625 -7.582 500 1HG PRO 80 2HG PRO 80 7.195 14.785 -5.833 501 2HG PRO 80 1HG PRO 80 6.454 14.885 -7.437 502 1HD PRO 80 2HD PRO 80 5.163 15.464 -5.054 503 2HD PRO 80 1HD PRO 80 4.351 15.055 -6.581 504 H VAL 81 H VAL 81 7.527 10.721 -5.198 505 HA VAL 81 HA VAL 81 8.047 11.562 -2.382 506 HB VAL 81 HB VAL 81 7.603 8.789 -3.477 507 1HG1 VAL 81 1HG1 VAL 81 7.848 8.510 -0.766 508 2HG1 VAL 81 2HG1 VAL 81 9.059 9.749 -1.104 509 3HG1 VAL 81 3HG1 VAL 81 9.143 8.187 -1.919 510 1HG2 VAL 81 1HG2 VAL 81 5.720 8.726 -1.971 511 2HG2 VAL 81 2HG2 VAL 81 5.606 10.225 -2.891 512 3HG2 VAL 81 3HG2 VAL 81 6.199 10.253 -1.230 513 H GLY 82 H GLY 82 9.393 8.774 -4.046 514 1HA GLY 82 2HA GLY 82 11.781 10.118 -4.997 515 2HA GLY 82 1HA GLY 82 12.076 9.264 -3.481 516 H SER 83 H SER 83 13.534 7.865 -4.756 517 HA SER 83 HA SER 83 12.237 6.065 -6.715 518 1HB SER 83 2HB SER 83 14.549 5.340 -7.094 519 2HB SER 83 1HB SER 83 14.468 7.100 -7.096 520 HG SER 83 HG SER 83 15.476 5.335 -5.146 521 H VAL 84 H VAL 84 12.112 3.778 -6.384 522 HA VAL 84 HA VAL 84 12.550 2.889 -3.553 523 HB VAL 84 HB VAL 84 10.277 2.479 -5.496 524 1HG1 VAL 84 1HG1 VAL 84 10.970 0.263 -4.593 525 2HG1 VAL 84 2HG1 VAL 84 9.379 0.758 -4.015 526 3HG1 VAL 84 3HG1 VAL 84 10.785 0.901 -2.959 527 1HG2 VAL 84 1HG2 VAL 84 10.734 3.774 -2.873 528 2HG2 VAL 84 2HG2 VAL 84 9.207 2.912 -3.041 529 3HG2 VAL 84 3HG2 VAL 84 9.614 4.213 -4.161 530 H ASP 85 H ASP 85 13.055 0.598 -3.332 531 HA ASP 85 HA ASP 85 13.768 -0.900 -5.791 532 1HB ASP 85 2HB ASP 85 15.756 0.399 -5.382 533 2HB ASP 85 1HB ASP 85 15.696 0.047 -3.655 534 H CYS 86 H CYS 86 12.109 -2.347 -5.001 535 HA CYS 86 HA CYS 86 12.273 -3.546 -2.359 536 1HB CYS 86 2HB CYS 86 10.686 -3.985 -4.881 537 2HB CYS 86 1HB CYS 86 10.490 -5.039 -3.483 538 H ALA 87 H ALA 87 14.675 -3.913 -4.241 539 HA ALA 87 HA ALA 87 14.831 -6.512 -5.312 540 1HB ALA 87 1HB ALA 87 16.740 -4.565 -4.039 541 2HB ALA 87 2HB ALA 87 16.657 -5.094 -5.720 542 3HB ALA 87 3HB ALA 87 17.324 -6.167 -4.490 543 H THR 88 H THR 88 15.094 -5.342 -2.026 544 HA THR 88 HA THR 88 14.668 -8.071 -0.963 545 HB THR 88 HB THR 88 17.096 -7.873 -1.171 546 HG1 THR 88 HG1 THR 88 16.598 -8.841 0.712 547 1HG2 THR 88 1HG2 THR 88 16.748 -5.274 0.346 548 2HG2 THR 88 2HG2 THR 88 17.204 -5.427 -1.351 549 3HG2 THR 88 3HG2 THR 88 18.294 -6.001 -0.091 550 H ALA 89 H ALA 89 13.507 -5.170 -1.119 551 HA ALA 89 HA ALA 89 13.342 -4.455 1.746 552 1HB ALA 89 1HB ALA 89 11.775 -3.023 -0.318 553 2HB ALA 89 2HB ALA 89 13.522 -3.034 -0.571 554 3HB ALA 89 3HB ALA 89 12.850 -2.377 0.921 555 H ALA 90 H ALA 90 10.966 -3.655 2.307 556 HA ALA 90 HA ALA 90 9.218 -6.026 2.044 557 1HB ALA 90 1HB ALA 90 9.394 -5.156 4.238 558 2HB ALA 90 2HB ALA 90 7.853 -4.511 3.672 559 3HB ALA 90 3HB ALA 90 9.290 -3.487 3.677 560 H CYS 91 H CYS 91 8.415 -5.879 -0.126 561 HA CYS 91 HA CYS 91 7.071 -3.357 -0.954 562 1HB CYS 91 2HB CYS 91 8.568 -5.389 -2.197 563 2HB CYS 91 1HB CYS 91 6.923 -5.594 -2.795 564 H ASN 92 H ASN 92 4.840 -3.541 -1.880 565 HA ASN 92 HA ASN 92 3.270 -5.886 -0.947 566 1HB ASN 92 2HB ASN 92 2.527 -3.044 -0.218 567 2HB ASN 92 1HB ASN 92 1.831 -4.539 0.412 568 1HD2 ASN 92 1HD2 ASN 92 3.961 -2.113 1.243 569 2HD2 ASN 92 2HD2 ASN 92 4.939 -2.966 2.335 570 H LEU 93 H LEU 93 0.826 -5.307 -1.520 571 HA LEU 93 HA LEU 93 0.572 -3.752 -4.028 572 1HB LEU 93 2HB LEU 93 1.297 -5.886 -4.861 573 2HB LEU 93 1HB LEU 93 0.266 -6.752 -3.720 574 HG LEU 93 HG LEU 93 -1.715 -5.590 -4.878 575 1HD1 LEU 93 1HD1 LEU 93 -1.216 -4.962 -7.262 576 2HD1 LEU 93 2HD1 LEU 93 0.502 -5.070 -6.877 577 3HD1 LEU 93 3HD1 LEU 93 -0.507 -3.867 -6.074 578 1HD2 LEU 93 1HD2 LEU 93 -0.320 -7.351 -6.849 579 2HD2 LEU 93 2HD2 LEU 93 -1.973 -7.438 -6.241 580 3HD2 LEU 93 3HD2 LEU 93 -0.636 -8.010 -5.243 581 H GLY 94 H GLY 94 -1.475 -2.804 -4.035 582 1HA GLY 94 2HA GLY 94 -3.657 -4.183 -2.579 583 2HA GLY 94 1HA GLY 94 -3.217 -2.576 -2.009 584 H ALA 95 H ALA 95 -5.772 -3.199 -3.013 585 HA ALA 95 HA ALA 95 -5.915 -1.262 -5.255 586 1HB ALA 95 1HB ALA 95 -7.121 -4.041 -5.422 587 2HB ALA 95 2HB ALA 95 -5.575 -3.613 -6.157 588 3HB ALA 95 3HB ALA 95 -7.059 -2.831 -6.704 589 H GLY 96 H GLY 96 -8.338 -0.823 -5.730 590 1HA GLY 96 2HA GLY 96 -10.606 -1.467 -4.517 591 2HA GLY 96 1HA GLY 96 -9.772 -0.768 -3.129 592 H ASN 97 H ASN 97 -11.743 0.722 -3.317 593 HA ASN 97 HA ASN 97 -11.174 2.935 -5.246 594 1HB ASN 97 2HB ASN 97 -13.328 1.417 -5.314 595 2HB ASN 97 1HB ASN 97 -13.844 2.432 -3.966 596 1HD2 ASN 97 1HD2 ASN 97 -14.880 4.341 -4.560 597 2HD2 ASN 97 2HD2 ASN 97 -14.746 5.091 -6.077 598 H SER 98 H SER 98 -12.799 4.876 -4.117 599 HA SER 98 HA SER 98 -11.249 5.620 -1.722 600 1HB SER 98 2HB SER 98 -13.502 7.067 -3.121 601 2HB SER 98 1HB SER 98 -12.256 7.778 -2.104 602 HG SER 98 HG SER 98 -11.632 8.068 -4.204 603 H GLY 99 H GLY 99 -13.940 3.754 -2.176 604 1HA GLY 99 2HA GLY 99 -14.799 4.113 0.603 605 2HA GLY 99 1HA GLY 99 -16.019 4.559 -0.593 606 H LEU 100 H LEU 100 -13.691 1.880 -0.116 607 HA LEU 100 HA LEU 100 -15.792 -0.115 -0.009 608 1HB LEU 100 2HB LEU 100 -15.795 0.673 -2.403 609 2HB LEU 100 1HB LEU 100 -14.143 0.071 -2.539 610 HG LEU 100 HG LEU 100 -16.123 -1.828 -1.414 611 1HD1 LEU 100 1HD1 LEU 100 -17.006 -2.414 -3.632 612 2HD1 LEU 100 2HD1 LEU 100 -16.097 -1.089 -4.358 613 3HD1 LEU 100 3HD1 LEU 100 -17.413 -0.744 -3.236 614 1HD2 LEU 100 1HD2 LEU 100 -13.539 -1.987 -2.231 615 2HD2 LEU 100 2HD2 LEU 100 -14.359 -2.466 -3.718 616 3HD2 LEU 100 3HD2 LEU 100 -14.634 -3.369 -2.227 617 H ASP 101 H ASP 101 -12.414 0.370 -1.057 618 HA ASP 101 HA ASP 101 -10.435 -0.725 -0.355 619 1HB ASP 101 2HB ASP 101 -12.150 -1.769 1.910 620 2HB ASP 101 1HB ASP 101 -10.426 -1.394 1.939 621 H LEU 102 H LEU 102 -9.701 -2.567 -1.366 622 HA LEU 102 HA LEU 102 -11.560 -4.882 -1.597 623 1HB LEU 102 2HB LEU 102 -9.221 -3.825 -3.180 624 2HB LEU 102 1HB LEU 102 -9.837 -5.458 -3.439 625 HG LEU 102 HG LEU 102 -11.474 -2.911 -3.629 626 1HD1 LEU 102 1HD1 LEU 102 -11.613 -3.644 -6.062 627 2HD1 LEU 102 2HD1 LEU 102 -10.317 -4.784 -5.706 628 3HD1 LEU 102 3HD1 LEU 102 -10.036 -3.051 -5.544 629 1HD2 LEU 102 1HD2 LEU 102 -13.143 -4.576 -4.648 630 2HD2 LEU 102 2HD2 LEU 102 -12.920 -4.665 -2.900 631 3HD2 LEU 102 3HD2 LEU 102 -12.137 -5.847 -3.950 632 H GLY 103 H GLY 103 -7.993 -4.602 -1.605 633 1HA GLY 103 2HA GLY 103 -7.651 -6.066 0.854 634 2HA GLY 103 1HA GLY 103 -7.470 -7.139 -0.533 635 H HIS 104 H HIS 104 -5.296 -6.772 1.079 636 HA HIS 104 HA HIS 104 -3.482 -5.125 -0.643 637 1HB HIS 104 2HB HIS 104 -3.213 -5.414 2.356 638 2HB HIS 104 1HB HIS 104 -2.463 -4.210 1.309 639 HD1 HIS 104 HD1 HIS 104 -3.573 -1.991 1.478 640 HD2 HIS 104 HD2 HIS 104 -6.285 -5.098 2.087 641 HE1 HIS 104 HE1 HIS 104 -5.822 -0.906 1.920 642 H VAL 105 H VAL 105 -2.647 -7.000 -1.694 643 HA VAL 105 HA VAL 105 -1.704 -9.291 -0.100 644 HB VAL 105 HB VAL 105 -1.514 -8.561 -3.041 645 1HG1 VAL 105 1HG1 VAL 105 -0.277 -10.660 -1.514 646 2HG1 VAL 105 2HG1 VAL 105 -0.182 -10.362 -3.249 647 3HG1 VAL 105 3HG1 VAL 105 -1.476 -11.367 -2.598 648 1HG2 VAL 105 1HG2 VAL 105 -3.829 -8.797 -2.250 649 2HG2 VAL 105 2HG2 VAL 105 -3.432 -10.344 -1.504 650 3HG2 VAL 105 3HG2 VAL 105 -3.395 -10.176 -3.259 651 H ALA 106 H ALA 106 0.338 -9.398 0.742 652 HA ALA 106 HA ALA 106 2.298 -7.295 0.164 653 1HB ALA 106 1HB ALA 106 1.638 -8.928 2.288 654 2HB ALA 106 2HB ALA 106 3.117 -7.974 2.178 655 3HB ALA 106 3HB ALA 106 3.124 -9.670 1.695 656 H LEU 107 H LEU 107 4.234 -7.568 -0.997 657 HA LEU 107 HA LEU 107 4.548 -10.185 -2.438 658 1HB LEU 107 2HB LEU 107 5.329 -7.403 -3.363 659 2HB LEU 107 1HB LEU 107 5.259 -8.871 -4.340 660 HG LEU 107 HG LEU 107 2.894 -7.536 -2.996 661 1HD1 LEU 107 1HD1 LEU 107 3.309 -6.184 -4.843 662 2HD1 LEU 107 2HD1 LEU 107 2.269 -7.414 -5.561 663 3HD1 LEU 107 3HD1 LEU 107 4.017 -7.502 -5.777 664 1HD2 LEU 107 1HD2 LEU 107 3.105 -9.969 -4.796 665 2HD2 LEU 107 2HD2 LEU 107 1.589 -9.213 -4.306 666 3HD2 LEU 107 3HD2 LEU 107 2.631 -9.963 -3.098 667 H THR 108 H THR 108 6.887 -10.504 -3.182 668 HA THR 108 HA THR 108 8.920 -9.206 -1.449 669 HB THR 108 HB THR 108 8.546 -12.192 -1.624 670 HG1 THR 108 HG1 THR 108 7.854 -11.782 0.647 671 1HG2 THR 108 1HG2 THR 108 10.495 -12.308 -0.530 672 2HG2 THR 108 2HG2 THR 108 9.881 -11.228 0.722 673 3HG2 THR 108 3HG2 THR 108 10.660 -10.562 -0.712 674 H PHE 109 H PHE 109 11.128 -9.628 -2.272 675 HA PHE 109 HA PHE 109 11.175 -10.742 -5.059 676 1HB PHE 109 2HB PHE 109 12.120 -8.123 -3.920 677 2HB PHE 109 1HB PHE 109 12.949 -8.806 -5.318 678 HD1 PHE 109 HD1 PHE 109 11.957 -8.787 -7.488 679 HD2 PHE 109 HD2 PHE 109 9.649 -7.649 -4.047 680 HE1 PHE 109 HE1 PHE 109 10.158 -7.951 -8.975 681 HE2 PHE 109 HE2 PHE 109 7.845 -6.810 -5.534 682 HZ PHE 109 HZ PHE 109 8.095 -6.963 -8.002 683 H GLY 110 H GLY 110 12.438 -12.570 -4.827 684 1HA GLY 110 2HA GLY 110 14.707 -13.460 -4.714 685 2HA GLY 110 1HA GLY 110 15.087 -12.225 -3.512 686 2H2' ROM 111 2H2' ROM 111 -9.814 5.077 -6.280 687 2H3' ROM 111 2H3' ROM 111 -8.969 5.829 -8.567 688 H'1 ROM 111 H'1 ROM 111 -4.251 3.931 -9.371 689 3H18 ROM 111 3H18 ROM 111 -5.038 0.105 -2.327 690 2H18 ROM 111 2H18 ROM 111 -3.752 -0.817 -1.710 691 2H23 ROM 111 2H23 ROM 111 -8.872 2.002 0.461 692 H1' ROM 111 H1' ROM 111 -8.211 6.659 -5.540 693 H2' ROM 111 H2' ROM 111 -11.043 7.605 -5.903 694 H3' ROM 111 H3' ROM 111 -10.537 7.179 -8.262 695 H4' ROM 111 H4' ROM 111 -10.108 9.417 -7.388 696 1H6B ROM 111 1H6B ROM 111 -8.798 11.089 -6.610 697 3H6B ROM 111 3H6B ROM 111 -7.551 10.778 -5.402 698 2H6B ROM 111 2H6B ROM 111 -7.140 10.763 -7.119 699 1H6A ROM 111 1H6A ROM 111 -6.110 8.988 -6.868 700 3H6A ROM 111 3H6A ROM 111 -6.695 7.588 -5.975 701 2H6A ROM 111 2H6A ROM 111 -7.032 7.737 -7.697 702 1H4B ROM 111 1H4B ROM 111 -9.718 9.952 -10.584 703 3H4B ROM 111 3H4B ROM 111 -10.593 10.121 -9.052 704 2H4B ROM 111 2H4B ROM 111 -9.219 11.184 -9.410 705 1H4A ROM 111 1H4A ROM 111 -8.210 8.505 -10.792 706 3H4A ROM 111 3H4A ROM 111 -7.644 7.527 -9.429 707 2H4A ROM 111 2H4A ROM 111 -9.356 7.505 -9.886 708 H'8 ROM 111 H'8 ROM 111 -0.781 5.800 -6.899 709 H'6 ROM 111 H'6 ROM 111 -1.490 8.482 -10.140 710 1H3A ROM 111 1H3A ROM 111 -5.339 7.159 -13.227 711 2H3A ROM 111 2H3A ROM 111 -4.435 5.693 -13.909 712 1H7A ROM 111 1H7A ROM 111 1.301 6.902 -8.734 713 3H7A ROM 111 3H7A ROM 111 0.994 8.403 -9.610 714 2H7A ROM 111 2H7A ROM 111 1.881 8.437 -8.088 715 H3 ROM 111 H3 ROM 111 -4.766 5.788 -5.274 716 H6 ROM 111 H6 ROM 111 -7.454 2.373 -2.947 717 H5 ROM 111 H5 ROM 111 -5.494 1.670 -4.296 718 H12 ROM 111 H12 ROM 111 -5.342 8.043 -3.876 719 H8 ROM 111 H8 ROM 111 -9.239 4.619 -2.762 720 H13 ROM 111 H13 ROM 111 -3.993 2.413 -6.267 721 H10 ROM 111 H10 ROM 111 -8.653 7.854 -1.236 722 H11 ROM 111 H11 ROM 111 -6.491 9.191 -1.878 723 2H14 ROM 111 2H14 ROM 111 -2.144 1.949 -5.014 724 1H14 ROM 111 1H14 ROM 111 -1.874 3.654 -4.641 725 2H17 ROM 111 2H17 ROM 111 -2.035 0.618 -1.140 726 1H17 ROM 111 1H17 ROM 111 -2.472 2.315 -0.996 727 H18 ROM 111 H18 ROM 111 -3.920 0.652 0.341 728 H20 ROM 111 H20 ROM 111 -3.719 3.640 -1.038 729 H24 ROM 111 H24 ROM 111 -6.706 0.715 -0.301 730 4H18 ROM 111 4H18 ROM 111 -5.239 -0.778 -0.891 Start of MODEL 23 1 1H ALA 1 1H ALA 1 -17.267 -13.768 2.991 2 2H ALA 1 2H ALA 1 -18.104 -13.450 1.548 3 3H ALA 1 3H ALA 1 -18.792 -13.022 3.040 4 HA ALA 1 HA ALA 1 -17.992 -10.980 2.410 5 1HB ALA 1 1HB ALA 1 -16.355 -10.627 4.008 6 2HB ALA 1 2HB ALA 1 -15.406 -12.019 3.488 7 3HB ALA 1 3HB ALA 1 -16.850 -12.255 4.473 8 HA PRO 2 HA PRO 2 -15.651 -11.025 -1.314 9 1HB PRO 2 2HB PRO 2 -14.947 -8.385 -1.447 10 2HB PRO 2 1HB PRO 2 -16.588 -8.967 -1.794 11 1HG PRO 2 2HG PRO 2 -15.527 -7.645 0.646 12 2HG PRO 2 1HG PRO 2 -17.123 -7.514 -0.109 13 1HD PRO 2 2HD PRO 2 -16.580 -9.037 2.129 14 2HD PRO 2 1HD PRO 2 -17.945 -9.320 1.025 15 H ALA 3 H ALA 3 -13.434 -11.039 -1.982 16 HA ALA 3 HA ALA 3 -11.375 -10.079 -0.087 17 1HB ALA 3 1HB ALA 3 -12.160 -12.381 0.598 18 2HB ALA 3 2HB ALA 3 -10.441 -12.293 0.213 19 3HB ALA 3 3HB ALA 3 -11.573 -12.976 -0.955 20 H PHE 4 H PHE 4 -9.208 -10.197 -1.056 21 HA PHE 4 HA PHE 4 -9.219 -10.493 -4.046 22 1HB PHE 4 2HB PHE 4 -9.314 -8.145 -3.500 23 2HB PHE 4 1HB PHE 4 -8.124 -8.327 -2.217 24 HD1 PHE 4 HD1 PHE 4 -5.766 -9.282 -2.996 25 HD2 PHE 4 HD2 PHE 4 -8.615 -7.386 -5.579 26 HE1 PHE 4 HE1 PHE 4 -3.957 -8.771 -4.615 27 HE2 PHE 4 HE2 PHE 4 -6.813 -6.880 -7.206 28 HZ PHE 4 HZ PHE 4 -4.479 -7.566 -6.723 29 H SER 5 H SER 5 -7.604 -11.954 -4.672 30 HA SER 5 HA SER 5 -5.137 -12.102 -2.993 31 1HB SER 5 2HB SER 5 -6.874 -13.736 -2.207 32 2HB SER 5 1HB SER 5 -6.804 -14.502 -3.790 33 HG SER 5 HG SER 5 -5.327 -15.600 -2.653 34 H VAL 6 H VAL 6 -3.429 -13.436 -4.066 35 HA VAL 6 HA VAL 6 -3.687 -13.515 -7.054 36 HB VAL 6 HB VAL 6 -2.487 -11.520 -6.145 37 1HG1 VAL 6 1HG1 VAL 6 -0.754 -13.681 -4.942 38 2HG1 VAL 6 2HG1 VAL 6 -1.623 -12.408 -4.095 39 3HG1 VAL 6 3HG1 VAL 6 -0.230 -12.006 -5.095 40 1HG2 VAL 6 1HG2 VAL 6 -0.908 -13.610 -7.659 41 2HG2 VAL 6 2HG2 VAL 6 -0.291 -11.980 -7.388 42 3HG2 VAL 6 3HG2 VAL 6 -1.772 -12.220 -8.315 43 H SER 7 H SER 7 -2.259 -15.185 -8.046 44 HA SER 7 HA SER 7 -2.066 -17.610 -6.514 45 1HB SER 7 2HB SER 7 -1.297 -16.603 -9.197 46 2HB SER 7 1HB SER 7 -0.432 -18.031 -8.637 47 HG SER 7 HG SER 7 -2.274 -18.755 -9.614 48 HA PRO 8 HA PRO 8 2.582 -16.996 -6.060 49 1HB PRO 8 2HB PRO 8 3.908 -15.054 -7.441 50 2HB PRO 8 1HB PRO 8 3.578 -16.657 -8.130 51 1HG PRO 8 2HG PRO 8 2.191 -14.071 -8.610 52 2HG PRO 8 1HG PRO 8 2.542 -15.393 -9.735 53 1HD PRO 8 2HD PRO 8 0.080 -14.959 -8.579 54 2HD PRO 8 1HD PRO 8 0.649 -16.529 -9.186 55 H ALA 9 H ALA 9 4.179 -15.040 -5.185 56 HA ALA 9 HA ALA 9 3.116 -12.501 -4.524 57 1HB ALA 9 1HB ALA 9 1.320 -13.272 -3.322 58 2HB ALA 9 2HB ALA 9 2.518 -13.390 -2.033 59 3HB ALA 9 3HB ALA 9 2.092 -14.819 -2.974 60 H SER 10 H SER 10 5.668 -13.966 -4.905 61 HA SER 10 HA SER 10 7.351 -12.552 -3.111 62 1HB SER 10 2HB SER 10 6.291 -15.185 -2.213 63 2HB SER 10 1HB SER 10 7.997 -14.880 -1.904 64 HG SER 10 HG SER 10 5.843 -13.914 -0.634 65 H GLY 11 H GLY 11 9.667 -13.357 -3.308 66 1HA GLY 11 2HA GLY 11 11.395 -13.931 -4.806 67 2HA GLY 11 1HA GLY 11 10.570 -15.490 -4.834 68 H LEU 12 H LEU 12 9.458 -12.333 -6.019 69 HA LEU 12 HA LEU 12 8.628 -13.544 -8.566 70 1HB LEU 12 2HB LEU 12 8.550 -10.701 -7.532 71 2HB LEU 12 1HB LEU 12 7.638 -11.334 -8.903 72 HG LEU 12 HG LEU 12 7.410 -12.433 -6.095 73 1HD1 LEU 12 1HD1 LEU 12 5.634 -10.471 -7.567 74 2HD1 LEU 12 2HD1 LEU 12 6.646 -10.099 -6.171 75 3HD1 LEU 12 3HD1 LEU 12 5.278 -11.198 -6.001 76 1HD2 LEU 12 1HD2 LEU 12 5.942 -12.849 -8.702 77 2HD2 LEU 12 2HD2 LEU 12 5.213 -13.266 -7.151 78 3HD2 LEU 12 3HD2 LEU 12 6.698 -14.062 -7.671 79 H SER 13 H SER 13 9.056 -11.212 -10.178 80 HA SER 13 HA SER 13 11.960 -10.694 -10.264 81 1HB SER 13 2HB SER 13 12.052 -12.765 -11.360 82 2HB SER 13 1HB SER 13 10.466 -12.556 -12.096 83 HG SER 13 HG SER 13 12.951 -11.428 -12.805 84 H ASP 14 H ASP 14 12.454 -8.954 -11.761 85 HA ASP 14 HA ASP 14 10.410 -6.990 -12.122 86 1HB ASP 14 2HB ASP 14 12.819 -6.514 -12.010 87 2HB ASP 14 1HB ASP 14 13.081 -7.413 -13.505 88 H GLY 15 H GLY 15 8.877 -6.793 -13.717 89 1HA GLY 15 2HA GLY 15 8.024 -6.929 -15.952 90 2HA GLY 15 1HA GLY 15 9.365 -7.993 -16.363 91 H GLN 16 H GLN 16 8.793 -9.596 -13.864 92 HA GLN 16 HA GLN 16 7.301 -11.703 -14.987 93 1HB GLN 16 2HB GLN 16 8.784 -11.802 -12.994 94 2HB GLN 16 1HB GLN 16 7.572 -10.905 -12.078 95 1HG GLN 16 2HG GLN 16 5.923 -12.715 -12.553 96 2HG GLN 16 1HG GLN 16 7.198 -13.627 -13.359 97 1HE2 GLN 16 1HE2 GLN 16 5.715 -14.364 -10.874 98 2HE2 GLN 16 2HE2 GLN 16 6.894 -14.543 -9.674 99 H SER 17 H SER 17 5.097 -12.343 -14.751 100 HA SER 17 HA SER 17 3.250 -10.149 -13.860 101 1HB SER 17 2HB SER 17 3.602 -11.507 -16.356 102 2HB SER 17 1HB SER 17 2.020 -11.943 -15.719 103 HG SER 17 HG SER 17 1.909 -10.017 -16.914 104 H VAL 18 H VAL 18 1.902 -10.754 -12.225 105 HA VAL 18 HA VAL 18 1.729 -13.625 -11.474 106 HB VAL 18 HB VAL 18 0.964 -12.668 -9.327 107 1HG1 VAL 18 1HG1 VAL 18 3.499 -12.342 -10.509 108 2HG1 VAL 18 2HG1 VAL 18 3.124 -12.305 -8.787 109 3HG1 VAL 18 3HG1 VAL 18 3.153 -10.805 -9.716 110 1HG2 VAL 18 1HG2 VAL 18 1.442 -9.910 -9.694 111 2HG2 VAL 18 2HG2 VAL 18 -0.114 -10.685 -9.390 112 3HG2 VAL 18 3HG2 VAL 18 0.420 -10.399 -11.046 113 H SER 19 H SER 19 -0.401 -14.552 -11.003 114 HA SER 19 HA SER 19 -2.556 -13.385 -12.697 115 1HB SER 19 2HB SER 19 -1.787 -16.056 -11.609 116 2HB SER 19 1HB SER 19 -3.495 -15.778 -11.932 117 HG SER 19 HG SER 19 -1.565 -16.348 -13.654 118 H VAL 20 H VAL 20 -3.740 -11.906 -11.487 119 HA VAL 20 HA VAL 20 -4.285 -12.472 -8.627 120 HB VAL 20 HB VAL 20 -4.723 -10.133 -10.492 121 1HG1 VAL 20 1HG1 VAL 20 -6.552 -10.059 -8.948 122 2HG1 VAL 20 2HG1 VAL 20 -5.345 -8.930 -8.335 123 3HG1 VAL 20 3HG1 VAL 20 -5.517 -10.523 -7.598 124 1HG2 VAL 20 1HG2 VAL 20 -3.081 -10.163 -7.974 125 2HG2 VAL 20 2HG2 VAL 20 -2.901 -9.151 -9.406 126 3HG2 VAL 20 3HG2 VAL 20 -2.412 -10.845 -9.457 127 H SER 21 H SER 21 -6.557 -12.112 -7.870 128 HA SER 21 HA SER 21 -8.740 -12.401 -9.789 129 1HB SER 21 2HB SER 21 -9.147 -14.664 -9.530 130 2HB SER 21 1HB SER 21 -7.396 -14.665 -9.346 131 HG SER 21 HG SER 21 -8.100 -15.712 -7.578 132 H VAL 22 H VAL 22 -10.253 -11.127 -8.822 133 HA VAL 22 HA VAL 22 -10.463 -11.158 -5.850 134 HB VAL 22 HB VAL 22 -11.488 -9.110 -7.819 135 1HG1 VAL 22 1HG1 VAL 22 -10.766 -7.860 -5.464 136 2HG1 VAL 22 2HG1 VAL 22 -11.391 -9.409 -4.898 137 3HG1 VAL 22 3HG1 VAL 22 -12.405 -8.356 -5.885 138 1HG2 VAL 22 1HG2 VAL 22 -9.380 -7.843 -7.168 139 2HG2 VAL 22 2HG2 VAL 22 -9.129 -9.225 -8.230 140 3HG2 VAL 22 3HG2 VAL 22 -8.770 -9.361 -6.510 141 H SER 23 H SER 23 -12.587 -11.355 -4.948 142 HA SER 23 HA SER 23 -14.858 -11.785 -6.811 143 1HB SER 23 2HB SER 23 -15.002 -14.044 -6.465 144 2HB SER 23 1HB SER 23 -13.277 -13.887 -6.144 145 HG SER 23 HG SER 23 -14.079 -14.890 -4.380 146 H GLY 24 H GLY 24 -16.908 -11.681 -5.706 147 1HA GLY 24 2HA GLY 24 -18.241 -11.521 -3.671 148 2HA GLY 24 1HA GLY 24 -16.789 -11.010 -2.807 149 H ALA 25 H ALA 25 -16.064 -9.186 -5.097 150 HA ALA 25 HA ALA 25 -17.048 -6.728 -4.124 151 1HB ALA 25 1HB ALA 25 -16.364 -5.960 -6.470 152 2HB ALA 25 2HB ALA 25 -16.059 -7.659 -6.831 153 3HB ALA 25 3HB ALA 25 -15.141 -6.846 -5.563 154 H ALA 26 H ALA 26 -17.909 -6.801 -7.451 155 HA ALA 26 HA ALA 26 -20.563 -7.701 -7.522 156 1HB ALA 26 1HB ALA 26 -21.424 -5.130 -7.123 157 2HB ALA 26 2HB ALA 26 -20.110 -5.246 -5.954 158 3HB ALA 26 3HB ALA 26 -21.456 -6.388 -5.888 159 H ALA 27 H ALA 27 -21.201 -7.553 -9.597 160 HA ALA 27 HA ALA 27 -19.702 -6.347 -11.651 161 1HB ALA 27 1HB ALA 27 -22.676 -6.717 -11.817 162 2HB ALA 27 2HB ALA 27 -21.640 -8.122 -11.563 163 3HB ALA 27 3HB ALA 27 -21.441 -7.128 -13.005 164 H GLY 28 H GLY 28 -19.652 -4.285 -12.453 165 1HA GLY 28 2HA GLY 28 -20.760 -2.196 -13.059 166 2HA GLY 28 1HA GLY 28 -21.805 -2.406 -11.656 167 H GLU 29 H GLU 29 -18.492 -3.165 -11.150 168 HA GLU 29 HA GLU 29 -17.985 -0.442 -10.016 169 1HB GLU 29 2HB GLU 29 -17.707 -3.142 -8.664 170 2HB GLU 29 1HB GLU 29 -17.099 -1.632 -7.985 171 1HG GLU 29 2HG GLU 29 -19.253 -0.753 -7.672 172 2HG GLU 29 1HG GLU 29 -19.976 -1.864 -8.836 173 H THR 30 H THR 30 -15.806 0.181 -10.123 174 HA THR 30 HA THR 30 -13.939 -1.774 -11.427 175 HB THR 30 HB THR 30 -14.002 1.244 -11.682 176 HG1 THR 30 HG1 THR 30 -15.677 0.863 -12.875 177 1HG2 THR 30 1HG2 THR 30 -12.719 0.587 -13.819 178 2HG2 THR 30 2HG2 THR 30 -12.518 -0.990 -13.057 179 3HG2 THR 30 3HG2 THR 30 -11.858 0.452 -12.285 180 H TYR 31 H TYR 31 -11.652 -1.466 -10.832 181 HA TYR 31 HA TYR 31 -11.172 0.141 -8.368 182 1HB TYR 31 2HB TYR 31 -10.724 -2.832 -8.756 183 2HB TYR 31 1HB TYR 31 -10.093 -1.917 -7.387 184 HD1 TYR 31 HD1 TYR 31 -11.930 -0.368 -6.183 185 HD2 TYR 31 HD2 TYR 31 -12.785 -3.891 -8.489 186 HE1 TYR 31 HE1 TYR 31 -14.112 -0.598 -5.024 187 HE2 TYR 31 HE2 TYR 31 -14.967 -4.120 -7.329 188 HH TYR 31 HH TYR 31 -16.167 -3.421 -5.522 189 H TYR 32 H TYR 32 -9.215 1.186 -8.533 190 HA TYR 32 HA TYR 32 -7.422 0.458 -10.787 191 1HB TYR 32 2HB TYR 32 -7.580 2.777 -8.831 192 2HB TYR 32 1HB TYR 32 -6.375 2.658 -10.116 193 HD1 TYR 32 HD1 TYR 32 -6.863 3.559 -12.212 194 HD2 TYR 32 HD2 TYR 32 -10.087 2.435 -9.605 195 HE1 TYR 32 HE1 TYR 32 -8.498 4.467 -13.841 196 HE2 TYR 32 HE2 TYR 32 -11.722 3.345 -11.233 197 HH TYR 32 HH TYR 32 -11.215 5.411 -13.388 198 H ILE 33 H ILE 33 -6.159 -1.283 -10.128 199 HA ILE 33 HA ILE 33 -5.022 -1.360 -7.402 200 HB ILE 33 HB ILE 33 -5.971 -3.322 -8.651 201 1HG1 ILE 33 2HG1 ILE 33 -3.043 -3.827 -8.213 202 2HG1 ILE 33 1HG1 ILE 33 -4.049 -3.339 -6.850 203 1HG2 ILE 33 1HG2 ILE 33 -4.604 -4.296 -10.451 204 2HG2 ILE 33 2HG2 ILE 33 -3.466 -2.954 -10.323 205 3HG2 ILE 33 3HG2 ILE 33 -5.114 -2.663 -10.881 206 1HD1 ILE 33 1HD1 ILE 33 -3.942 -5.800 -7.039 207 2HD1 ILE 33 2HD1 ILE 33 -4.594 -5.698 -8.675 208 3HD1 ILE 33 3HD1 ILE 33 -5.584 -5.212 -7.299 209 H ALA 34 H ALA 34 -2.687 -1.522 -7.057 210 HA ALA 34 HA ALA 34 -0.848 -0.895 -9.253 211 1HB ALA 34 1HB ALA 34 -2.167 1.229 -8.499 212 2HB ALA 34 2HB ALA 34 -0.418 1.348 -8.697 213 3HB ALA 34 3HB ALA 34 -1.114 1.176 -7.087 214 H GLN 35 H GLN 35 1.332 -1.199 -8.617 215 HA GLN 35 HA GLN 35 1.711 -2.585 -6.027 216 1HB GLN 35 2HB GLN 35 2.556 -3.570 -8.102 217 2HB GLN 35 1HB GLN 35 3.465 -2.102 -8.458 218 1HG GLN 35 2HG GLN 35 4.841 -2.434 -6.459 219 2HG GLN 35 1HG GLN 35 3.902 -3.863 -6.028 220 1HE2 GLN 35 1HE2 GLN 35 6.856 -3.341 -7.043 221 2HE2 GLN 35 2HE2 GLN 35 7.050 -4.536 -8.233 222 H CYS 36 H CYS 36 2.637 -1.552 -4.282 223 HA CYS 36 HA CYS 36 4.408 0.798 -4.784 224 1HB CYS 36 2HB CYS 36 2.320 1.063 -2.652 225 2HB CYS 36 1HB CYS 36 3.043 2.310 -3.658 226 H ALA 37 H ALA 37 5.614 1.427 -2.794 227 HA ALA 37 HA ALA 37 5.755 -0.739 -0.725 228 1HB ALA 37 1HB ALA 37 8.065 0.627 -2.154 229 2HB ALA 37 2HB ALA 37 7.489 -1.003 -2.502 230 3HB ALA 37 3HB ALA 37 8.207 -0.638 -0.933 231 HA PRO 38 HA PRO 38 5.606 2.808 1.919 232 1HB PRO 38 2HB PRO 38 6.480 1.629 4.228 233 2HB PRO 38 1HB PRO 38 4.846 1.400 3.577 234 1HG PRO 38 2HG PRO 38 7.223 -0.390 3.386 235 2HG PRO 38 1HG PRO 38 5.520 -0.803 3.651 236 1HD PRO 38 2HD PRO 38 6.748 -1.063 1.236 237 2HD PRO 38 1HD PRO 38 5.012 -0.716 1.410 238 H VAL 39 H VAL 39 7.138 4.112 3.303 239 HA VAL 39 HA VAL 39 10.011 3.501 2.734 240 HB VAL 39 HB VAL 39 9.054 5.095 1.084 241 1HG1 VAL 39 1HG1 VAL 39 8.055 7.113 1.713 242 2HG1 VAL 39 2HG1 VAL 39 8.742 7.068 3.335 243 3HG1 VAL 39 3HG1 VAL 39 7.412 5.990 2.909 244 1HG2 VAL 39 1HG2 VAL 39 11.422 5.287 2.421 245 2HG2 VAL 39 2HG2 VAL 39 10.735 6.880 2.740 246 3HG2 VAL 39 3HG2 VAL 39 10.966 6.337 1.079 247 H GLY 40 H GLY 40 9.391 2.807 5.126 248 1HA GLY 40 2HA GLY 40 9.904 3.190 7.385 249 2HA GLY 40 1HA GLY 40 10.659 4.702 6.885 250 H GLY 41 H GLY 41 7.547 4.745 5.672 251 1HA GLY 41 2HA GLY 41 5.795 5.216 7.757 252 2HA GLY 41 1HA GLY 41 6.719 6.713 7.652 253 H GLN 42 H GLN 42 7.019 7.215 5.027 254 HA GLN 42 HA GLN 42 4.336 7.950 4.176 255 1HB GLN 42 2HB GLN 42 6.853 8.911 3.809 256 2HB GLN 42 1HB GLN 42 6.614 8.065 2.284 257 1HG GLN 42 2HG GLN 42 5.393 9.801 1.549 258 2HG GLN 42 1HG GLN 42 4.203 9.444 2.801 259 1HE2 GLN 42 1HE2 GLN 42 3.976 11.927 2.775 260 2HE2 GLN 42 2HE2 GLN 42 5.044 12.820 3.747 261 H ASP 43 H ASP 43 4.312 7.520 1.442 262 HA ASP 43 HA ASP 43 4.712 4.604 1.006 263 1HB ASP 43 2HB ASP 43 2.452 5.171 2.088 264 2HB ASP 43 1HB ASP 43 2.044 5.943 0.555 265 H ALA 44 H ALA 44 5.663 4.452 -0.960 266 HA ALA 44 HA ALA 44 5.020 6.512 -3.043 267 1HB ALA 44 1HB ALA 44 7.272 5.657 -3.933 268 2HB ALA 44 2HB ALA 44 7.427 4.787 -2.407 269 3HB ALA 44 3HB ALA 44 7.327 6.549 -2.417 270 H CYS 45 H CYS 45 4.621 5.701 -5.215 271 HA CYS 45 HA CYS 45 4.348 2.740 -5.493 272 1HB CYS 45 2HB CYS 45 2.226 3.904 -4.653 273 2HB CYS 45 1HB CYS 45 2.146 4.674 -6.237 274 H ASN 46 H ASN 46 3.790 2.189 -7.861 275 HA ASN 46 HA ASN 46 5.425 3.940 -9.641 276 1HB ASN 46 2HB ASN 46 5.198 1.184 -9.179 277 2HB ASN 46 1HB ASN 46 4.424 1.436 -10.743 278 1HD2 ASN 46 1HD2 ASN 46 5.824 3.088 -12.199 279 2HD2 ASN 46 2HD2 ASN 46 7.488 2.756 -12.233 280 HA PRO 47 HA PRO 47 1.568 5.209 -11.467 281 1HB PRO 47 2HB PRO 47 2.632 7.025 -13.200 282 2HB PRO 47 1HB PRO 47 2.434 7.350 -11.468 283 1HG PRO 47 2HG PRO 47 4.882 6.727 -12.997 284 2HG PRO 47 1HG PRO 47 4.685 7.662 -11.509 285 1HD PRO 47 2HD PRO 47 5.601 5.007 -11.705 286 2HD PRO 47 1HD PRO 47 5.122 5.853 -10.219 287 H ALA 48 H ALA 48 4.258 3.710 -12.988 288 HA ALA 48 HA ALA 48 3.112 3.585 -15.677 289 1HB ALA 48 1HB ALA 48 5.431 3.547 -15.702 290 2HB ALA 48 2HB ALA 48 5.108 1.813 -15.719 291 3HB ALA 48 3HB ALA 48 5.527 2.617 -14.206 292 H THR 49 H THR 49 3.333 1.470 -12.846 293 HA THR 49 HA THR 49 1.993 -0.737 -14.305 294 HB THR 49 HB THR 49 2.404 -1.888 -12.091 295 HG1 THR 49 HG1 THR 49 4.103 -0.416 -10.950 296 1HG2 THR 49 1HG2 THR 49 5.068 -1.242 -12.386 297 2HG2 THR 49 2HG2 THR 49 4.392 -0.807 -13.956 298 3HG2 THR 49 3HG2 THR 49 4.205 -2.448 -13.341 299 H ALA 50 H ALA 50 0.425 1.657 -13.950 300 HA ALA 50 HA ALA 50 -1.485 0.946 -11.766 301 1HB ALA 50 1HB ALA 50 -1.964 3.206 -11.725 302 2HB ALA 50 2HB ALA 50 -1.757 3.383 -13.468 303 3HB ALA 50 3HB ALA 50 -0.344 3.294 -12.416 304 H THR 51 H THR 51 -3.130 -0.383 -12.453 305 HA THR 51 HA THR 51 -4.353 0.182 -15.132 306 HB THR 51 HB THR 51 -2.837 -1.797 -15.138 307 HG1 THR 51 HG1 THR 51 -5.580 -2.502 -15.251 308 1HG2 THR 51 1HG2 THR 51 -4.136 -2.253 -12.626 309 2HG2 THR 51 2HG2 THR 51 -2.785 -3.134 -13.337 310 3HG2 THR 51 3HG2 THR 51 -4.441 -3.635 -13.679 311 H SER 52 H SER 52 -6.626 -0.162 -15.223 312 HA SER 52 HA SER 52 -7.953 -0.433 -12.552 313 1HB SER 52 2HB SER 52 -8.333 1.696 -13.605 314 2HB SER 52 1HB SER 52 -8.678 0.937 -15.156 315 HG SER 52 HG SER 52 -10.658 0.636 -14.519 316 H PHE 53 H PHE 53 -9.254 -2.208 -12.258 317 HA PHE 53 HA PHE 53 -10.126 -3.729 -14.696 318 1HB PHE 53 2HB PHE 53 -9.602 -5.761 -13.475 319 2HB PHE 53 1HB PHE 53 -8.197 -4.699 -13.389 320 HD1 PHE 53 HD1 PHE 53 -7.930 -3.203 -11.328 321 HD2 PHE 53 HD2 PHE 53 -10.691 -6.489 -11.509 322 HE1 PHE 53 HE1 PHE 53 -8.061 -3.228 -8.853 323 HE2 PHE 53 HE2 PHE 53 -10.822 -6.514 -9.032 324 HZ PHE 53 HZ PHE 53 -9.507 -4.883 -7.704 325 H THR 54 H THR 54 -12.332 -4.004 -14.766 326 HA THR 54 HA THR 54 -13.920 -3.427 -12.301 327 HB THR 54 HB THR 54 -14.587 -3.566 -15.259 328 HG1 THR 54 HG1 THR 54 -14.385 -1.459 -15.189 329 1HG2 THR 54 1HG2 THR 54 -16.813 -3.226 -14.788 330 2HG2 THR 54 2HG2 THR 54 -16.471 -2.414 -13.259 331 3HG2 THR 54 3HG2 THR 54 -16.377 -4.171 -13.364 332 H THR 55 H THR 55 -15.462 -4.956 -11.532 333 HA THR 55 HA THR 55 -14.862 -7.730 -11.847 334 HB THR 55 HB THR 55 -17.280 -7.835 -10.794 335 HG1 THR 55 HG1 THR 55 -18.196 -5.979 -10.638 336 1HG2 THR 55 1HG2 THR 55 -16.303 -7.485 -8.677 337 2HG2 THR 55 2HG2 THR 55 -15.201 -6.253 -9.289 338 3HG2 THR 55 3HG2 THR 55 -14.945 -7.950 -9.700 339 H ASP 56 H ASP 56 -17.044 -9.146 -12.333 340 HA ASP 56 HA ASP 56 -17.752 -8.471 -15.171 341 1HB ASP 56 2HB ASP 56 -17.035 -10.956 -13.664 342 2HB ASP 56 1HB ASP 56 -18.166 -11.116 -15.006 343 H ALA 57 H ALA 57 -19.819 -10.404 -15.394 344 HA ALA 57 HA ALA 57 -22.041 -8.974 -14.262 345 1HB ALA 57 1HB ALA 57 -22.149 -11.821 -15.215 346 2HB ALA 57 2HB ALA 57 -21.767 -10.532 -16.356 347 3HB ALA 57 3HB ALA 57 -23.305 -10.519 -15.495 348 H SER 58 H SER 58 -20.061 -11.598 -13.136 349 HA SER 58 HA SER 58 -22.008 -12.334 -11.022 350 1HB SER 58 2HB SER 58 -19.415 -13.586 -10.837 351 2HB SER 58 1HB SER 58 -20.960 -14.328 -11.230 352 HG SER 58 HG SER 58 -20.408 -14.306 -13.257 353 H GLY 59 H GLY 59 -19.962 -9.848 -11.430 354 1HA GLY 59 2HA GLY 59 -19.052 -8.324 -9.881 355 2HA GLY 59 1HA GLY 59 -19.692 -9.326 -8.590 356 H ALA 60 H ALA 60 -17.503 -10.472 -11.115 357 HA ALA 60 HA ALA 60 -15.419 -10.892 -8.992 358 1HB ALA 60 1HB ALA 60 -15.673 -12.573 -11.468 359 2HB ALA 60 2HB ALA 60 -16.805 -12.829 -10.141 360 3HB ALA 60 3HB ALA 60 -15.074 -13.029 -9.871 361 H ALA 61 H ALA 61 -13.257 -10.359 -9.583 362 HA ALA 61 HA ALA 61 -12.878 -9.254 -12.347 363 1HB ALA 61 1HB ALA 61 -12.549 -7.214 -11.450 364 2HB ALA 61 2HB ALA 61 -11.296 -7.860 -10.391 365 3HB ALA 61 3HB ALA 61 -12.981 -7.873 -9.871 366 H SER 62 H SER 62 -11.661 -11.128 -12.975 367 HA SER 62 HA SER 62 -9.153 -11.664 -11.438 368 1HB SER 62 2HB SER 62 -10.942 -13.210 -13.293 369 2HB SER 62 1HB SER 62 -9.267 -13.715 -13.092 370 HG SER 62 HG SER 62 -10.497 -14.757 -11.552 371 H PHE 63 H PHE 63 -7.130 -11.511 -12.567 372 HA PHE 63 HA PHE 63 -6.989 -11.137 -15.425 373 1HB PHE 63 2HB PHE 63 -6.506 -8.690 -15.345 374 2HB PHE 63 1HB PHE 63 -8.141 -9.068 -14.804 375 HD1 PHE 63 HD1 PHE 63 -8.884 -8.392 -12.658 376 HD2 PHE 63 HD2 PHE 63 -4.679 -8.515 -13.532 377 HE1 PHE 63 HE1 PHE 63 -8.389 -7.331 -10.466 378 HE2 PHE 63 HE2 PHE 63 -4.185 -7.456 -11.345 379 HZ PHE 63 HZ PHE 63 -6.043 -6.866 -9.812 380 H SER 64 H SER 64 -4.746 -10.187 -16.029 381 HA SER 64 HA SER 64 -2.728 -11.323 -14.143 382 1HB SER 64 2HB SER 64 -1.419 -10.856 -16.463 383 2HB SER 64 1HB SER 64 -2.347 -12.322 -16.179 384 HG SER 64 HG SER 64 -3.243 -9.930 -17.429 385 H PHE 65 H PHE 65 -1.316 -9.948 -13.133 386 HA PHE 65 HA PHE 65 -1.163 -7.125 -14.105 387 1HB PHE 65 2HB PHE 65 -2.478 -7.266 -12.102 388 2HB PHE 65 1HB PHE 65 -1.302 -8.335 -11.341 389 HD1 PHE 65 HD1 PHE 65 -1.973 -4.880 -12.448 390 HD2 PHE 65 HD2 PHE 65 0.733 -7.487 -10.375 391 HE1 PHE 65 HE1 PHE 65 -0.775 -2.912 -11.544 392 HE2 PHE 65 HE2 PHE 65 1.934 -5.522 -9.470 393 HZ PHE 65 HZ PHE 65 1.185 -3.230 -10.053 394 H VAL 66 H VAL 66 0.923 -6.441 -14.538 395 HA VAL 66 HA VAL 66 3.180 -8.267 -14.057 396 HB VAL 66 HB VAL 66 3.145 -5.438 -15.149 397 1HG1 VAL 66 1HG1 VAL 66 5.075 -6.412 -16.505 398 2HG1 VAL 66 2HG1 VAL 66 5.020 -7.798 -15.416 399 3HG1 VAL 66 3HG1 VAL 66 5.387 -6.193 -14.783 400 1HG2 VAL 66 1HG2 VAL 66 1.698 -7.617 -16.138 401 2HG2 VAL 66 2HG2 VAL 66 3.168 -7.599 -17.111 402 3HG2 VAL 66 3HG2 VAL 66 2.140 -6.169 -17.043 403 H VAL 67 H VAL 67 5.236 -7.337 -13.035 404 HA VAL 67 HA VAL 67 4.639 -5.335 -10.887 405 HB VAL 67 HB VAL 67 5.985 -6.947 -9.394 406 1HG1 VAL 67 1HG1 VAL 67 3.329 -7.950 -10.451 407 2HG1 VAL 67 2HG1 VAL 67 3.493 -6.592 -9.337 408 3HG1 VAL 67 3HG1 VAL 67 3.996 -8.206 -8.839 409 1HG2 VAL 67 1HG2 VAL 67 6.830 -8.298 -11.350 410 2HG2 VAL 67 2HG2 VAL 67 5.183 -8.882 -11.594 411 3HG2 VAL 67 3HG2 VAL 67 6.046 -9.275 -10.108 412 H ARG 68 H ARG 68 6.560 -4.278 -10.039 413 HA ARG 68 HA ARG 68 8.957 -4.501 -11.836 414 1HB ARG 68 2HB ARG 68 7.757 -2.121 -10.388 415 2HB ARG 68 1HB ARG 68 9.211 -2.071 -11.385 416 1HG ARG 68 2HG ARG 68 6.512 -2.994 -12.403 417 2HG ARG 68 1HG ARG 68 7.121 -1.349 -12.591 418 1HD ARG 68 2HD ARG 68 9.264 -2.735 -13.523 419 2HD ARG 68 1HD ARG 68 7.947 -3.828 -13.996 420 HE ARG 68 HE ARG 68 6.991 -2.054 -15.326 421 1HH1 ARG 68 1HH1 ARG 68 8.528 -0.201 -13.131 422 2HH1 ARG 68 2HH1 ARG 68 9.381 0.811 -14.248 423 1HH2 ARG 68 1HH2 ARG 68 8.669 -1.174 -17.001 424 2HH2 ARG 68 2HH2 ARG 68 9.461 0.260 -16.439 425 H LYS 69 H LYS 69 10.541 -5.514 -10.662 426 HA LYS 69 HA LYS 69 10.711 -5.859 -7.889 427 1HB LYS 69 2HB LYS 69 12.034 -6.998 -9.656 428 2HB LYS 69 1HB LYS 69 12.965 -5.517 -9.881 429 1HG LYS 69 2HG LYS 69 13.558 -5.625 -7.425 430 2HG LYS 69 1HG LYS 69 12.823 -7.228 -7.390 431 1HD LYS 69 2HD LYS 69 14.688 -8.140 -8.249 432 2HD LYS 69 1HD LYS 69 14.608 -7.055 -9.638 433 1HE LYS 69 2HE LYS 69 15.482 -5.417 -7.535 434 2HE LYS 69 1HE LYS 69 16.385 -6.933 -7.338 435 1HZ LYS 69 1HZ LYS 69 16.018 -5.633 -9.973 436 2HZ LYS 69 2HZ LYS 69 17.107 -6.870 -9.560 437 3HZ LYS 69 3HZ LYS 69 17.346 -5.292 -8.978 438 H SER 70 H SER 70 12.679 -3.440 -9.718 439 HA SER 70 HA SER 70 12.694 -1.762 -7.216 440 1HB SER 70 2HB SER 70 14.971 -1.110 -7.945 441 2HB SER 70 1HB SER 70 14.838 -2.851 -7.720 442 HG SER 70 HG SER 70 15.584 -2.878 -9.695 443 H TYR 71 H TYR 71 12.592 0.524 -7.511 444 HA TYR 71 HA TYR 71 12.569 1.861 -10.052 445 1HB TYR 71 2HB TYR 71 10.251 1.952 -10.541 446 2HB TYR 71 1HB TYR 71 10.492 0.280 -10.040 447 HD1 TYR 71 HD1 TYR 71 9.088 3.553 -9.094 448 HD2 TYR 71 HD2 TYR 71 9.681 -0.521 -7.854 449 HE1 TYR 71 HE1 TYR 71 7.427 3.865 -7.281 450 HE2 TYR 71 HE2 TYR 71 8.016 -0.206 -6.037 451 HH TYR 71 HH TYR 71 6.894 1.412 -4.826 452 H THR 72 H THR 72 12.065 4.182 -9.747 453 HA THR 72 HA THR 72 12.646 5.117 -7.076 454 HB THR 72 HB THR 72 11.391 6.913 -9.075 455 HG1 THR 72 HG1 THR 72 13.906 5.678 -9.492 456 1HG2 THR 72 1HG2 THR 72 14.098 7.487 -8.224 457 2HG2 THR 72 2HG2 THR 72 13.074 7.112 -6.838 458 3HG2 THR 72 3HG2 THR 72 12.625 8.414 -7.941 459 H GLY 73 H GLY 73 11.211 5.539 -5.450 460 1HA GLY 73 2HA GLY 73 8.396 4.938 -5.825 461 2HA GLY 73 1HA GLY 73 9.140 5.498 -4.330 462 H SER 74 H SER 74 6.647 6.400 -5.540 463 HA SER 74 HA SER 74 7.018 9.270 -5.263 464 1HB SER 74 2HB SER 74 7.858 8.534 -7.618 465 2HB SER 74 1HB SER 74 6.152 8.318 -7.996 466 HG SER 74 HG SER 74 7.355 10.500 -8.263 467 H THR 75 H THR 75 5.084 9.915 -4.352 468 HA THR 75 HA THR 75 2.786 8.242 -4.107 469 HB THR 75 HB THR 75 1.759 10.509 -3.423 470 HG1 THR 75 HG1 THR 75 2.957 12.234 -3.660 471 1HG2 THR 75 1HG2 THR 75 3.772 10.695 -1.617 472 2HG2 THR 75 2HG2 THR 75 4.088 9.088 -2.271 473 3HG2 THR 75 3HG2 THR 75 2.522 9.454 -1.547 474 HA PRO 76 HA PRO 76 0.484 8.927 -7.789 475 1HB PRO 76 2HB PRO 76 -2.075 9.292 -6.897 476 2HB PRO 76 1HB PRO 76 -1.255 7.722 -6.877 477 1HG PRO 76 2HG PRO 76 -1.710 9.641 -4.657 478 2HG PRO 76 1HG PRO 76 -1.745 7.871 -4.646 479 1HD PRO 76 2HD PRO 76 0.365 9.356 -3.725 480 2HD PRO 76 1HD PRO 76 0.521 7.700 -4.345 481 H GLU 77 H GLU 77 1.050 11.455 -5.696 482 HA GLU 77 HA GLU 77 -0.695 13.425 -7.077 483 1HB GLU 77 2HB GLU 77 0.419 13.076 -4.498 484 2HB GLU 77 1HB GLU 77 1.175 14.520 -5.171 485 1HG GLU 77 2HG GLU 77 -0.741 15.713 -5.033 486 2HG GLU 77 1HG GLU 77 -1.694 14.401 -5.727 487 H GLY 78 H GLY 78 2.087 11.992 -7.922 488 1HA GLY 78 2HA GLY 78 3.732 12.616 -9.487 489 2HA GLY 78 1HA GLY 78 2.917 14.172 -9.640 490 H THR 79 H THR 79 5.118 12.343 -7.542 491 HA THR 79 HA THR 79 6.860 14.616 -7.144 492 HB THR 79 HB THR 79 4.784 15.180 -5.795 493 HG1 THR 79 HG1 THR 79 6.638 16.152 -5.154 494 1HG2 THR 79 1HG2 THR 79 5.608 13.329 -3.657 495 2HG2 THR 79 2HG2 THR 79 4.883 12.550 -5.062 496 3HG2 THR 79 3HG2 THR 79 3.991 13.794 -4.185 497 HA PRO 80 HA PRO 80 9.260 11.041 -6.160 498 1HB PRO 80 2HB PRO 80 11.598 12.327 -5.569 499 2HB PRO 80 1HB PRO 80 11.008 12.104 -7.228 500 1HG PRO 80 2HG PRO 80 10.919 14.517 -5.498 501 2HG PRO 80 1HG PRO 80 11.144 14.388 -7.249 502 1HD PRO 80 2HD PRO 80 8.771 15.090 -6.024 503 2HD PRO 80 1HD PRO 80 8.901 14.408 -7.660 504 H VAL 81 H VAL 81 8.884 10.022 -4.243 505 HA VAL 81 HA VAL 81 9.080 11.521 -1.689 506 HB VAL 81 HB VAL 81 8.055 8.813 -2.535 507 1HG1 VAL 81 1HG1 VAL 81 9.051 8.727 -0.252 508 2HG1 VAL 81 2HG1 VAL 81 7.301 8.504 -0.226 509 3HG1 VAL 81 3HG1 VAL 81 8.000 10.059 0.229 510 1HG2 VAL 81 1HG2 VAL 81 6.740 11.365 -1.569 511 2HG2 VAL 81 2HG2 VAL 81 5.882 9.834 -1.734 512 3HG2 VAL 81 3HG2 VAL 81 6.572 10.615 -3.157 513 H GLY 82 H GLY 82 10.755 9.218 -3.631 514 1HA GLY 82 2HA GLY 82 13.248 9.262 -2.593 515 2HA GLY 82 1HA GLY 82 12.440 8.204 -1.439 516 H SER 83 H SER 83 14.399 6.999 -2.747 517 HA SER 83 HA SER 83 13.472 5.751 -5.247 518 1HB SER 83 2HB SER 83 15.673 4.562 -4.986 519 2HB SER 83 1HB SER 83 15.820 6.316 -4.923 520 HG SER 83 HG SER 83 16.827 4.838 -3.202 521 H VAL 84 H VAL 84 13.222 3.351 -5.407 522 HA VAL 84 HA VAL 84 12.602 2.028 -2.798 523 HB VAL 84 HB VAL 84 10.856 2.478 -5.211 524 1HG1 VAL 84 1HG1 VAL 84 10.476 0.195 -5.038 525 2HG1 VAL 84 2HG1 VAL 84 9.312 0.803 -3.861 526 3HG1 VAL 84 3HG1 VAL 84 10.860 0.157 -3.318 527 1HG2 VAL 84 1HG2 VAL 84 10.009 3.958 -3.731 528 2HG2 VAL 84 2HG2 VAL 84 10.955 3.276 -2.409 529 3HG2 VAL 84 3HG2 VAL 84 9.397 2.569 -2.835 530 H ASP 85 H ASP 85 12.846 -0.243 -2.831 531 HA ASP 85 HA ASP 85 13.636 -1.611 -5.332 532 1HB ASP 85 2HB ASP 85 15.718 -0.620 -4.618 533 2HB ASP 85 1HB ASP 85 15.449 -1.137 -2.954 534 H CYS 86 H CYS 86 11.907 -3.032 -4.973 535 HA CYS 86 HA CYS 86 11.331 -4.303 -2.449 536 1HB CYS 86 2HB CYS 86 10.567 -4.996 -5.297 537 2HB CYS 86 1HB CYS 86 9.744 -5.560 -3.843 538 H ALA 87 H ALA 87 14.109 -4.772 -4.069 539 HA ALA 87 HA ALA 87 14.323 -7.489 -4.750 540 1HB ALA 87 1HB ALA 87 15.998 -5.272 -4.285 541 2HB ALA 87 2HB ALA 87 16.480 -6.828 -4.962 542 3HB ALA 87 3HB ALA 87 16.607 -6.545 -3.227 543 H THR 88 H THR 88 14.775 -5.960 -1.582 544 HA THR 88 HA THR 88 14.047 -8.546 -0.271 545 HB THR 88 HB THR 88 16.434 -8.466 -0.216 546 HG1 THR 88 HG1 THR 88 15.819 -8.924 1.809 547 1HG2 THR 88 1HG2 THR 88 17.561 -6.332 0.660 548 2HG2 THR 88 2HG2 THR 88 16.015 -5.535 0.372 549 3HG2 THR 88 3HG2 THR 88 16.895 -6.264 -0.972 550 H ALA 89 H ALA 89 13.258 -5.393 -0.718 551 HA ALA 89 HA ALA 89 12.748 -4.529 2.029 552 1HB ALA 89 1HB ALA 89 12.539 -2.548 0.956 553 2HB ALA 89 2HB ALA 89 11.288 -3.193 -0.106 554 3HB ALA 89 3HB ALA 89 12.988 -3.408 -0.516 555 H ALA 90 H ALA 90 10.293 -3.580 2.159 556 HA ALA 90 HA ALA 90 8.574 -5.999 2.025 557 1HB ALA 90 1HB ALA 90 9.057 -4.301 4.012 558 2HB ALA 90 2HB ALA 90 7.463 -5.028 3.816 559 3HB ALA 90 3HB ALA 90 7.762 -3.388 3.240 560 H CYS 91 H CYS 91 8.360 -5.710 -0.415 561 HA CYS 91 HA CYS 91 6.916 -3.379 -1.439 562 1HB CYS 91 2HB CYS 91 8.540 -5.314 -2.468 563 2HB CYS 91 1HB CYS 91 6.966 -5.960 -2.925 564 H ASN 92 H ASN 92 4.677 -3.502 -2.279 565 HA ASN 92 HA ASN 92 3.065 -5.839 -1.413 566 1HB ASN 92 2HB ASN 92 2.889 -3.031 -0.324 567 2HB ASN 92 1HB ASN 92 1.517 -4.135 -0.246 568 1HD2 ASN 92 1HD2 ASN 92 1.474 -5.526 1.529 569 2HD2 ASN 92 2HD2 ASN 92 2.808 -5.873 2.520 570 H LEU 93 H LEU 93 0.620 -5.166 -1.871 571 HA LEU 93 HA LEU 93 0.370 -3.598 -4.394 572 1HB LEU 93 2HB LEU 93 0.847 -5.927 -5.020 573 2HB LEU 93 1HB LEU 93 -0.403 -6.504 -3.919 574 HG LEU 93 HG LEU 93 -2.082 -5.178 -5.270 575 1HD1 LEU 93 1HD1 LEU 93 -1.485 -4.090 -7.219 576 2HD1 LEU 93 2HD1 LEU 93 -0.092 -5.134 -7.501 577 3HD1 LEU 93 3HD1 LEU 93 -0.006 -3.852 -6.293 578 1HD2 LEU 93 1HD2 LEU 93 -2.299 -6.881 -6.942 579 2HD2 LEU 93 2HD2 LEU 93 -1.537 -7.669 -5.560 580 3HD2 LEU 93 3HD2 LEU 93 -0.563 -7.191 -6.951 581 H GLY 94 H GLY 94 -1.513 -2.350 -4.221 582 1HA GLY 94 2HA GLY 94 -3.592 -3.349 -2.303 583 2HA GLY 94 1HA GLY 94 -3.119 -1.652 -2.341 584 H ALA 95 H ALA 95 -5.757 -2.907 -2.839 585 HA ALA 95 HA ALA 95 -6.204 -1.932 -5.649 586 1HB ALA 95 1HB ALA 95 -7.820 -3.660 -5.866 587 2HB ALA 95 2HB ALA 95 -7.920 -3.896 -4.122 588 3HB ALA 95 3HB ALA 95 -6.488 -4.427 -5.004 589 H GLY 96 H GLY 96 -8.023 -0.545 -5.944 590 1HA GLY 96 2HA GLY 96 -10.116 -0.054 -4.125 591 2HA GLY 96 1HA GLY 96 -8.819 1.060 -3.689 592 H ASN 97 H ASN 97 -11.480 1.671 -4.884 593 HA ASN 97 HA ASN 97 -10.570 2.897 -7.449 594 1HB ASN 97 2HB ASN 97 -12.764 2.542 -8.276 595 2HB ASN 97 1HB ASN 97 -12.400 1.079 -7.367 596 1HD2 ASN 97 1HD2 ASN 97 -13.233 1.054 -5.033 597 2HD2 ASN 97 2HD2 ASN 97 -14.685 1.867 -4.700 598 H SER 98 H SER 98 -12.472 3.418 -4.500 599 HA SER 98 HA SER 98 -11.786 6.230 -4.404 600 1HB SER 98 2HB SER 98 -14.098 5.325 -5.936 601 2HB SER 98 1HB SER 98 -14.551 6.485 -4.693 602 HG SER 98 HG SER 98 -13.917 7.504 -6.647 603 H GLY 99 H GLY 99 -14.049 3.669 -3.417 604 1HA GLY 99 2HA GLY 99 -13.911 4.756 -0.637 605 2HA GLY 99 1HA GLY 99 -15.471 4.299 -1.324 606 H LEU 100 H LEU 100 -15.645 1.988 -2.082 607 HA LEU 100 HA LEU 100 -15.039 0.118 -0.055 608 1HB LEU 100 2HB LEU 100 -16.754 -0.148 -1.802 609 2HB LEU 100 1HB LEU 100 -15.495 -0.272 -3.032 610 HG LEU 100 HG LEU 100 -15.422 -2.150 -0.696 611 1HD1 LEU 100 1HD1 LEU 100 -17.094 -2.613 -3.179 612 2HD1 LEU 100 2HD1 LEU 100 -17.768 -2.166 -1.613 613 3HD1 LEU 100 3HD1 LEU 100 -16.919 -3.701 -1.802 614 1HD2 LEU 100 1HD2 LEU 100 -14.713 -3.611 -2.795 615 2HD2 LEU 100 2HD2 LEU 100 -13.571 -2.486 -2.056 616 3HD2 LEU 100 3HD2 LEU 100 -14.437 -2.027 -3.522 617 H ASP 101 H ASP 101 -13.148 -0.896 0.493 618 HA ASP 101 HA ASP 101 -10.963 -1.017 -1.564 619 1HB ASP 101 2HB ASP 101 -9.480 -0.843 0.536 620 2HB ASP 101 1HB ASP 101 -10.354 0.615 0.065 621 H LEU 102 H LEU 102 -11.128 -3.184 -2.166 622 HA LEU 102 HA LEU 102 -11.922 -5.375 -0.596 623 1HB LEU 102 2HB LEU 102 -9.880 -5.156 -2.828 624 2HB LEU 102 1HB LEU 102 -10.609 -6.670 -2.287 625 HG LEU 102 HG LEU 102 -12.662 -4.688 -2.767 626 1HD1 LEU 102 1HD1 LEU 102 -10.461 -4.459 -4.519 627 2HD1 LEU 102 2HD1 LEU 102 -12.071 -3.773 -4.736 628 3HD1 LEU 102 3HD1 LEU 102 -11.690 -5.360 -5.406 629 1HD2 LEU 102 1HD2 LEU 102 -12.076 -7.489 -3.212 630 2HD2 LEU 102 2HD2 LEU 102 -12.772 -6.777 -4.667 631 3HD2 LEU 102 3HD2 LEU 102 -13.645 -6.685 -3.137 632 H GLY 103 H GLY 103 -8.486 -4.929 -1.488 633 1HA GLY 103 2HA GLY 103 -7.468 -4.801 1.171 634 2HA GLY 103 1HA GLY 103 -7.506 -6.493 0.676 635 H HIS 104 H HIS 104 -5.061 -5.835 1.103 636 HA HIS 104 HA HIS 104 -3.883 -5.154 -1.567 637 1HB HIS 104 2HB HIS 104 -2.030 -4.120 -0.133 638 2HB HIS 104 1HB HIS 104 -3.576 -3.270 -0.117 639 HD1 HIS 104 HD1 HIS 104 -1.467 -5.601 1.991 640 HD2 HIS 104 HD2 HIS 104 -4.872 -3.226 2.378 641 HE1 HIS 104 HE1 HIS 104 -2.035 -5.557 4.462 642 H VAL 105 H VAL 105 -2.487 -6.726 -2.302 643 HA VAL 105 HA VAL 105 -1.787 -8.965 -0.468 644 HB VAL 105 HB VAL 105 -1.768 -8.493 -3.456 645 1HG1 VAL 105 1HG1 VAL 105 -1.196 -11.227 -2.742 646 2HG1 VAL 105 2HG1 VAL 105 0.023 -10.176 -2.034 647 3HG1 VAL 105 3HG1 VAL 105 -0.264 -10.143 -3.772 648 1HG2 VAL 105 1HG2 VAL 105 -3.417 -10.286 -3.449 649 2HG2 VAL 105 2HG2 VAL 105 -3.906 -9.064 -2.276 650 3HG2 VAL 105 3HG2 VAL 105 -3.158 -10.563 -1.727 651 H ALA 106 H ALA 106 0.288 -9.224 0.293 652 HA ALA 106 HA ALA 106 2.316 -7.200 -0.339 653 1HB ALA 106 1HB ALA 106 3.058 -9.584 1.231 654 2HB ALA 106 2HB ALA 106 1.620 -8.756 1.826 655 3HB ALA 106 3HB ALA 106 3.143 -7.879 1.676 656 H LEU 107 H LEU 107 4.059 -7.489 -1.716 657 HA LEU 107 HA LEU 107 4.399 -10.214 -2.949 658 1HB LEU 107 2HB LEU 107 5.099 -7.582 -4.256 659 2HB LEU 107 1HB LEU 107 4.748 -9.128 -5.026 660 HG LEU 107 HG LEU 107 2.700 -7.543 -3.449 661 1HD1 LEU 107 1HD1 LEU 107 2.704 -6.147 -5.231 662 2HD1 LEU 107 2HD1 LEU 107 1.948 -7.479 -6.106 663 3HD1 LEU 107 3HD1 LEU 107 3.694 -7.244 -6.194 664 1HD2 LEU 107 1HD2 LEU 107 1.308 -9.115 -5.131 665 2HD2 LEU 107 2HD2 LEU 107 1.814 -9.667 -3.535 666 3HD2 LEU 107 3HD2 LEU 107 2.752 -10.113 -4.960 667 H THR 108 H THR 108 6.643 -10.687 -3.663 668 HA THR 108 HA THR 108 8.764 -9.075 -2.301 669 HB THR 108 HB THR 108 8.903 -12.047 -2.225 670 HG1 THR 108 HG1 THR 108 7.426 -10.653 -0.285 671 1HG2 THR 108 1HG2 THR 108 9.465 -9.999 -0.084 672 2HG2 THR 108 2HG2 THR 108 10.646 -10.440 -1.317 673 3HG2 THR 108 3HG2 THR 108 10.064 -11.655 -0.177 674 H PHE 109 H PHE 109 11.003 -9.885 -3.098 675 HA PHE 109 HA PHE 109 10.832 -10.932 -5.904 676 1HB PHE 109 2HB PHE 109 12.070 -8.418 -4.804 677 2HB PHE 109 1HB PHE 109 12.749 -9.163 -6.252 678 HD1 PHE 109 HD1 PHE 109 11.435 -9.334 -8.323 679 HD2 PHE 109 HD2 PHE 109 9.852 -7.418 -4.818 680 HE1 PHE 109 HE1 PHE 109 9.633 -8.318 -9.693 681 HE2 PHE 109 HE2 PHE 109 8.050 -6.403 -6.187 682 HZ PHE 109 HZ PHE 109 7.936 -6.852 -8.624 683 H GLY 110 H GLY 110 12.895 -11.894 -6.641 684 1HA GLY 110 2HA GLY 110 15.043 -12.876 -6.288 685 2HA GLY 110 1HA GLY 110 14.978 -12.349 -4.604 686 2H2' ROM 111 2H2' ROM 111 -9.791 5.188 -8.731 687 2H3' ROM 111 2H3' ROM 111 -8.665 5.391 -10.622 688 H'1 ROM 111 H'1 ROM 111 -3.952 4.696 -9.162 689 3H18 ROM 111 3H18 ROM 111 -6.201 3.658 1.010 690 2H18 ROM 111 2H18 ROM 111 -5.845 2.339 0.001 691 2H23 ROM 111 2H23 ROM 111 -7.125 8.513 -2.599 692 H1' ROM 111 H1' ROM 111 -8.480 6.994 -8.108 693 H2' ROM 111 H2' ROM 111 -11.211 7.585 -9.249 694 H3' ROM 111 H3' ROM 111 -10.205 6.770 -11.326 695 H4' ROM 111 H4' ROM 111 -10.090 9.162 -10.863 696 1H6B ROM 111 1H6B ROM 111 -9.074 11.180 -9.394 697 3H6B ROM 111 3H6B ROM 111 -7.335 10.974 -9.185 698 2H6B ROM 111 2H6B ROM 111 -8.051 10.856 -10.793 699 1H6A ROM 111 1H6A ROM 111 -6.505 8.629 -10.400 700 3H6A ROM 111 3H6A ROM 111 -6.454 8.935 -8.666 701 2H6A ROM 111 2H6A ROM 111 -7.135 7.431 -9.276 702 1H4B ROM 111 1H4B ROM 111 -6.950 7.367 -11.809 703 3H4B ROM 111 3H4B ROM 111 -8.454 6.807 -12.564 704 2H4B ROM 111 2H4B ROM 111 -7.320 7.813 -13.485 705 1H4A ROM 111 1H4A ROM 111 -8.712 9.935 -13.757 706 3H4A ROM 111 3H4A ROM 111 -9.763 8.518 -13.589 707 2H4A ROM 111 2H4A ROM 111 -10.058 9.962 -12.602 708 H'8 ROM 111 H'8 ROM 111 0.220 5.947 -7.522 709 H'6 ROM 111 H'6 ROM 111 -0.276 8.063 -11.194 710 1H3A ROM 111 1H3A ROM 111 -4.880 8.204 -12.981 711 2H3A ROM 111 2H3A ROM 111 -5.300 6.436 -13.343 712 1H7A ROM 111 1H7A ROM 111 2.296 6.241 -7.991 713 3H7A ROM 111 3H7A ROM 111 2.046 5.736 -9.663 714 2H7A ROM 111 2H7A ROM 111 3.300 6.914 -9.276 715 H3 ROM 111 H3 ROM 111 -5.146 6.582 -6.771 716 H6 ROM 111 H6 ROM 111 -8.179 3.552 -4.321 717 H5 ROM 111 H5 ROM 111 -5.921 2.751 -4.975 718 H12 ROM 111 H12 ROM 111 -6.174 9.017 -6.237 719 H8 ROM 111 H8 ROM 111 -10.045 5.557 -5.199 720 H13 ROM 111 H13 ROM 111 -3.967 3.195 -6.651 721 H10 ROM 111 H10 ROM 111 -10.013 9.109 -4.447 722 H11 ROM 111 H11 ROM 111 -7.841 10.491 -4.945 723 2H14 ROM 111 2H14 ROM 111 -2.587 3.157 -4.851 724 1H14 ROM 111 1H14 ROM 111 -2.427 4.919 -4.847 725 2H17 ROM 111 2H17 ROM 111 -4.790 2.561 -2.080 726 1H17 ROM 111 1H17 ROM 111 -3.424 2.713 -0.975 727 H18 ROM 111 H18 ROM 111 -4.393 4.904 -0.192 728 H20 ROM 111 H20 ROM 111 -7.503 3.158 -0.945 729 H24 ROM 111 H24 ROM 111 -5.087 6.538 -1.919 730 4H18 ROM 111 4H18 ROM 111 -4.657 2.950 1.051 Start of MODEL 24 1 1H ALA 1 1H ALA 1 -18.925 -7.440 3.445 2 2H ALA 1 2H ALA 1 -18.742 -8.327 2.009 3 3H ALA 1 3H ALA 1 -18.335 -6.679 2.047 4 HA ALA 1 HA ALA 1 -16.405 -7.034 3.277 5 1HB ALA 1 1HB ALA 1 -17.075 -8.274 5.100 6 2HB ALA 1 2HB ALA 1 -16.294 -9.569 4.190 7 3HB ALA 1 3HB ALA 1 -18.046 -9.373 4.121 8 HA PRO 2 HA PRO 2 -15.735 -9.314 -0.716 9 1HB PRO 2 2HB PRO 2 -14.355 -7.305 -1.960 10 2HB PRO 2 1HB PRO 2 -16.123 -7.448 -2.030 11 1HG PRO 2 2HG PRO 2 -14.434 -5.668 -0.345 12 2HG PRO 2 1HG PRO 2 -15.986 -5.340 -1.132 13 1HD PRO 2 2HD PRO 2 -15.731 -5.901 1.535 14 2HD PRO 2 1HD PRO 2 -17.198 -6.241 0.590 15 H ALA 3 H ALA 3 -13.294 -9.196 -1.864 16 HA ALA 3 HA ALA 3 -11.155 -8.818 0.098 17 1HB ALA 3 1HB ALA 3 -10.603 -11.272 0.105 18 2HB ALA 3 2HB ALA 3 -12.115 -11.564 -0.755 19 3HB ALA 3 3HB ALA 3 -12.143 -10.897 0.879 20 H PHE 4 H PHE 4 -9.116 -8.854 -0.888 21 HA PHE 4 HA PHE 4 -9.087 -9.301 -3.854 22 1HB PHE 4 2HB PHE 4 -8.894 -6.956 -3.295 23 2HB PHE 4 1HB PHE 4 -7.702 -7.299 -2.041 24 HD1 PHE 4 HD1 PHE 4 -8.283 -7.665 -5.720 25 HD2 PHE 4 HD2 PHE 4 -5.414 -7.242 -2.551 26 HE1 PHE 4 HE1 PHE 4 -6.468 -7.450 -7.393 27 HE2 PHE 4 HE2 PHE 4 -3.598 -7.028 -4.222 28 HZ PHE 4 HZ PHE 4 -4.124 -7.134 -6.642 29 H SER 5 H SER 5 -7.540 -10.789 -4.554 30 HA SER 5 HA SER 5 -5.237 -11.385 -2.755 31 1HB SER 5 2HB SER 5 -7.611 -12.906 -2.937 32 2HB SER 5 1HB SER 5 -6.369 -13.827 -3.778 33 HG SER 5 HG SER 5 -6.677 -13.317 -1.122 34 H VAL 6 H VAL 6 -3.570 -12.665 -3.838 35 HA VAL 6 HA VAL 6 -3.680 -12.583 -6.837 36 HB VAL 6 HB VAL 6 -2.376 -10.732 -5.720 37 1HG1 VAL 6 1HG1 VAL 6 -0.754 -13.090 -4.745 38 2HG1 VAL 6 2HG1 VAL 6 -1.692 -11.989 -3.753 39 3HG1 VAL 6 3HG1 VAL 6 -0.263 -11.403 -4.600 40 1HG2 VAL 6 1HG2 VAL 6 -0.484 -10.920 -7.171 41 2HG2 VAL 6 2HG2 VAL 6 -1.773 -11.806 -7.984 42 3HG2 VAL 6 3HG2 VAL 6 -0.518 -12.682 -7.107 43 H SER 7 H SER 7 -2.651 -14.418 -7.839 44 HA SER 7 HA SER 7 -2.541 -16.840 -6.371 45 1HB SER 7 2HB SER 7 -1.630 -15.825 -9.015 46 2HB SER 7 1HB SER 7 -0.929 -17.348 -8.475 47 HG SER 7 HG SER 7 -2.753 -18.228 -9.004 48 HA PRO 8 HA PRO 8 2.105 -16.537 -5.782 49 1HB PRO 8 2HB PRO 8 3.630 -14.749 -7.147 50 2HB PRO 8 1HB PRO 8 3.188 -16.327 -7.811 51 1HG PRO 8 2HG PRO 8 2.077 -13.654 -8.409 52 2HG PRO 8 1HG PRO 8 2.300 -15.040 -9.482 53 1HD PRO 8 2HD PRO 8 -0.113 -14.277 -8.356 54 2HD PRO 8 1HD PRO 8 0.264 -15.898 -8.976 55 H ALA 9 H ALA 9 3.535 -15.125 -4.416 56 HA ALA 9 HA ALA 9 2.773 -12.331 -4.027 57 1HB ALA 9 1HB ALA 9 0.960 -13.900 -3.026 58 2HB ALA 9 2HB ALA 9 1.556 -12.574 -2.027 59 3HB ALA 9 3HB ALA 9 2.150 -14.213 -1.762 60 H SER 10 H SER 10 5.168 -14.204 -4.310 61 HA SER 10 HA SER 10 6.964 -12.802 -2.570 62 1HB SER 10 2HB SER 10 6.114 -14.006 -0.753 63 2HB SER 10 1HB SER 10 5.836 -15.449 -1.720 64 HG SER 10 HG SER 10 8.087 -14.591 -0.397 65 H GLY 11 H GLY 11 9.219 -13.618 -2.822 66 1HA GLY 11 2HA GLY 11 10.950 -14.457 -4.176 67 2HA GLY 11 1HA GLY 11 9.929 -15.884 -4.374 68 H LEU 12 H LEU 12 8.733 -12.768 -5.289 69 HA LEU 12 HA LEU 12 8.134 -13.575 -7.982 70 1HB LEU 12 2HB LEU 12 8.303 -10.835 -6.702 71 2HB LEU 12 1HB LEU 12 7.394 -11.246 -8.158 72 HG LEU 12 HG LEU 12 6.921 -12.427 -5.407 73 1HD1 LEU 12 1HD1 LEU 12 6.167 -10.145 -5.436 74 2HD1 LEU 12 2HD1 LEU 12 4.743 -11.167 -5.638 75 3HD1 LEU 12 3HD1 LEU 12 5.446 -10.347 -7.033 76 1HD2 LEU 12 1HD2 LEU 12 5.381 -12.724 -8.003 77 2HD2 LEU 12 2HD2 LEU 12 4.958 -13.458 -6.456 78 3HD2 LEU 12 3HD2 LEU 12 6.424 -13.959 -7.299 79 H SER 13 H SER 13 8.849 -11.470 -9.588 80 HA SER 13 HA SER 13 11.763 -11.017 -9.422 81 1HB SER 13 2HB SER 13 11.682 -12.048 -11.902 82 2HB SER 13 1HB SER 13 11.993 -13.045 -10.486 83 HG SER 13 HG SER 13 10.133 -13.466 -12.157 84 H ASP 14 H ASP 14 12.461 -9.414 -11.021 85 HA ASP 14 HA ASP 14 10.549 -7.346 -11.563 86 1HB ASP 14 2HB ASP 14 12.455 -6.352 -12.781 87 2HB ASP 14 1HB ASP 14 12.988 -7.048 -11.250 88 H GLY 15 H GLY 15 9.164 -7.102 -13.275 89 1HA GLY 15 2HA GLY 15 8.470 -7.231 -15.562 90 2HA GLY 15 1HA GLY 15 9.782 -8.365 -15.864 91 H GLN 16 H GLN 16 8.980 -9.926 -13.428 92 HA GLN 16 HA GLN 16 7.464 -11.968 -14.620 93 1HB GLN 16 2HB GLN 16 8.816 -12.045 -12.518 94 2HB GLN 16 1HB GLN 16 7.538 -11.139 -11.707 95 1HG GLN 16 2HG GLN 16 6.127 -13.186 -12.891 96 2HG GLN 16 1HG GLN 16 7.635 -13.984 -12.440 97 1HE2 GLN 16 1HE2 GLN 16 5.347 -14.745 -11.054 98 2HE2 GLN 16 2HE2 GLN 16 5.393 -14.127 -9.478 99 H SER 17 H SER 17 5.270 -12.307 -14.906 100 HA SER 17 HA SER 17 3.438 -10.116 -14.004 101 1HB SER 17 2HB SER 17 3.688 -10.414 -16.429 102 2HB SER 17 1HB SER 17 3.290 -12.124 -16.281 103 HG SER 17 HG SER 17 1.451 -10.964 -16.863 104 H VAL 18 H VAL 18 2.415 -10.784 -12.158 105 HA VAL 18 HA VAL 18 1.874 -13.624 -11.633 106 HB VAL 18 HB VAL 18 0.995 -12.670 -9.517 107 1HG1 VAL 18 1HG1 VAL 18 3.546 -11.231 -10.258 108 2HG1 VAL 18 2HG1 VAL 18 3.499 -12.980 -10.038 109 3HG1 VAL 18 3HG1 VAL 18 3.092 -11.910 -8.695 110 1HG2 VAL 18 1HG2 VAL 18 1.837 -9.930 -10.110 111 2HG2 VAL 18 2HG2 VAL 18 0.358 -10.504 -9.341 112 3HG2 VAL 18 3HG2 VAL 18 0.472 -10.446 -11.101 113 H SER 19 H SER 19 -0.520 -13.894 -10.614 114 HA SER 19 HA SER 19 -2.441 -12.791 -12.636 115 1HB SER 19 2HB SER 19 -3.581 -15.014 -12.351 116 2HB SER 19 1HB SER 19 -1.959 -15.147 -13.023 117 HG SER 19 HG SER 19 -2.115 -16.619 -11.373 118 H VAL 20 H VAL 20 -3.337 -11.157 -11.340 119 HA VAL 20 HA VAL 20 -4.033 -11.632 -8.542 120 HB VAL 20 HB VAL 20 -4.554 -9.404 -10.527 121 1HG1 VAL 20 1HG1 VAL 20 -5.055 -8.057 -8.462 122 2HG1 VAL 20 2HG1 VAL 20 -5.056 -9.562 -7.540 123 3HG1 VAL 20 3HG1 VAL 20 -6.258 -9.301 -8.804 124 1HG2 VAL 20 1HG2 VAL 20 -2.175 -9.937 -9.818 125 2HG2 VAL 20 2HG2 VAL 20 -2.654 -9.522 -8.172 126 3HG2 VAL 20 3HG2 VAL 20 -2.714 -8.301 -9.443 127 H SER 21 H SER 21 -6.316 -11.168 -7.816 128 HA SER 21 HA SER 21 -8.505 -11.654 -9.705 129 1HB SER 21 2HB SER 21 -9.022 -13.857 -9.006 130 2HB SER 21 1HB SER 21 -7.267 -13.878 -9.162 131 HG SER 21 HG SER 21 -8.657 -14.480 -7.044 132 H VAL 22 H VAL 22 -9.975 -10.216 -8.876 133 HA VAL 22 HA VAL 22 -10.132 -9.861 -5.927 134 HB VAL 22 HB VAL 22 -11.405 -8.181 -8.090 135 1HG1 VAL 22 1HG1 VAL 22 -11.771 -6.683 -6.425 136 2HG1 VAL 22 2HG1 VAL 22 -10.168 -6.931 -5.731 137 3HG1 VAL 22 3HG1 VAL 22 -11.483 -8.041 -5.340 138 1HG2 VAL 22 1HG2 VAL 22 -9.324 -7.784 -8.908 139 2HG2 VAL 22 2HG2 VAL 22 -8.547 -8.574 -7.535 140 3HG2 VAL 22 3HG2 VAL 22 -9.046 -6.886 -7.415 141 H SER 23 H SER 23 -12.166 -10.174 -4.867 142 HA SER 23 HA SER 23 -14.482 -11.001 -6.558 143 1HB SER 23 2HB SER 23 -13.447 -13.081 -6.105 144 2HB SER 23 1HB SER 23 -13.023 -12.611 -4.462 145 HG SER 23 HG SER 23 -14.937 -14.048 -4.828 146 H GLY 24 H GLY 24 -16.507 -10.672 -5.515 147 1HA GLY 24 2HA GLY 24 -17.793 -10.258 -3.439 148 2HA GLY 24 1HA GLY 24 -16.379 -9.416 -2.805 149 H ALA 25 H ALA 25 -15.765 -7.906 -5.155 150 HA ALA 25 HA ALA 25 -17.258 -5.555 -4.785 151 1HB ALA 25 1HB ALA 25 -16.362 -5.099 -7.180 152 2HB ALA 25 2HB ALA 25 -15.656 -6.712 -7.066 153 3HB ALA 25 3HB ALA 25 -15.182 -5.459 -5.920 154 H ALA 26 H ALA 26 -17.928 -8.324 -6.870 155 HA ALA 26 HA ALA 26 -19.972 -8.958 -7.903 156 1HB ALA 26 1HB ALA 26 -21.878 -8.053 -6.981 157 2HB ALA 26 2HB ALA 26 -21.285 -6.400 -7.145 158 3HB ALA 26 3HB ALA 26 -20.716 -7.412 -5.817 159 H ALA 27 H ALA 27 -20.426 -8.790 -10.035 160 HA ALA 27 HA ALA 27 -19.181 -7.029 -11.810 161 1HB ALA 27 1HB ALA 27 -21.917 -7.997 -12.477 162 2HB ALA 27 2HB ALA 27 -20.755 -9.223 -11.971 163 3HB ALA 27 3HB ALA 27 -20.407 -8.202 -13.366 164 H GLY 28 H GLY 28 -19.601 -4.957 -12.477 165 1HA GLY 28 2HA GLY 28 -21.397 -3.297 -13.072 166 2HA GLY 28 1HA GLY 28 -22.119 -3.696 -11.516 167 H GLU 29 H GLU 29 -18.688 -3.618 -11.474 168 HA GLU 29 HA GLU 29 -18.611 -0.749 -10.696 169 1HB GLU 29 2HB GLU 29 -18.806 -2.991 -8.897 170 2HB GLU 29 1HB GLU 29 -17.266 -2.165 -8.655 171 1HG GLU 29 2HG GLU 29 -18.766 -1.008 -7.238 172 2HG GLU 29 1HG GLU 29 -18.649 0.014 -8.671 173 H THR 30 H THR 30 -16.418 0.058 -10.529 174 HA THR 30 HA THR 30 -14.422 -1.643 -11.977 175 HB THR 30 HB THR 30 -14.040 1.277 -11.732 176 HG1 THR 30 HG1 THR 30 -15.803 1.850 -12.757 177 1HG2 THR 30 1HG2 THR 30 -13.238 -0.842 -13.408 178 2HG2 THR 30 2HG2 THR 30 -12.837 0.865 -13.584 179 3HG2 THR 30 3HG2 THR 30 -14.251 0.204 -14.403 180 H TYR 31 H TYR 31 -12.094 -1.014 -11.359 181 HA TYR 31 HA TYR 31 -11.713 0.017 -8.621 182 1HB TYR 31 2HB TYR 31 -11.270 -2.875 -9.428 183 2HB TYR 31 1HB TYR 31 -10.658 -2.173 -7.930 184 HD1 TYR 31 HD1 TYR 31 -13.603 -3.402 -9.704 185 HD2 TYR 31 HD2 TYR 31 -12.236 -1.320 -6.205 186 HE1 TYR 31 HE1 TYR 31 -15.810 -3.758 -8.630 187 HE2 TYR 31 HE2 TYR 31 -14.442 -1.677 -5.130 188 HH TYR 31 HH TYR 31 -17.176 -2.652 -6.828 189 H TYR 32 H TYR 32 -9.402 0.366 -8.166 190 HA TYR 32 HA TYR 32 -7.708 0.224 -10.642 191 1HB TYR 32 2HB TYR 32 -7.594 2.202 -8.337 192 2HB TYR 32 1HB TYR 32 -6.731 2.318 -9.870 193 HD1 TYR 32 HD1 TYR 32 -10.229 2.009 -8.531 194 HD2 TYR 32 HD2 TYR 32 -7.673 3.561 -11.618 195 HE1 TYR 32 HE1 TYR 32 -12.164 3.191 -9.535 196 HE2 TYR 32 HE2 TYR 32 -9.611 4.742 -12.622 197 HH TYR 32 HH TYR 32 -12.461 5.283 -11.042 198 H ILE 33 H ILE 33 -5.905 -1.058 -10.406 199 HA ILE 33 HA ILE 33 -5.056 -1.774 -7.621 200 HB ILE 33 HB ILE 33 -5.918 -3.613 -8.996 201 1HG1 ILE 33 2HG1 ILE 33 -2.891 -3.781 -8.888 202 2HG1 ILE 33 1HG1 ILE 33 -3.931 -3.978 -7.477 203 1HG2 ILE 33 1HG2 ILE 33 -5.617 -3.538 -11.224 204 2HG2 ILE 33 2HG2 ILE 33 -3.906 -3.881 -10.975 205 3HG2 ILE 33 3HG2 ILE 33 -4.469 -2.211 -11.053 206 1HD1 ILE 33 1HD1 ILE 33 -5.154 -5.787 -8.814 207 2HD1 ILE 33 2HD1 ILE 33 -3.524 -6.189 -8.273 208 3HD1 ILE 33 3HD1 ILE 33 -3.805 -5.715 -9.949 209 H ALA 34 H ALA 34 -2.832 -1.696 -7.108 210 HA ALA 34 HA ALA 34 -0.824 -0.977 -9.122 211 1HB ALA 34 1HB ALA 34 -1.326 1.238 -8.964 212 2HB ALA 34 2HB ALA 34 -0.526 1.158 -7.394 213 3HB ALA 34 3HB ALA 34 -2.280 1.001 -7.500 214 H GLN 35 H GLN 35 1.355 -0.830 -8.098 215 HA GLN 35 HA GLN 35 1.509 -2.519 -5.655 216 1HB GLN 35 2HB GLN 35 3.629 -1.610 -7.631 217 2HB GLN 35 1HB GLN 35 3.809 -2.879 -6.421 218 1HG GLN 35 2HG GLN 35 2.075 -4.216 -7.516 219 2HG GLN 35 1HG GLN 35 1.797 -2.929 -8.690 220 1HE2 GLN 35 1HE2 GLN 35 4.468 -5.044 -7.486 221 2HE2 GLN 35 2HE2 GLN 35 5.255 -5.148 -8.986 222 H CYS 36 H CYS 36 3.180 -1.880 -4.006 223 HA CYS 36 HA CYS 36 4.041 0.939 -3.964 224 1HB CYS 36 2HB CYS 36 1.505 0.280 -3.080 225 2HB CYS 36 1HB CYS 36 2.446 0.267 -1.592 226 H ALA 37 H ALA 37 5.771 1.200 -2.505 227 HA ALA 37 HA ALA 37 6.380 -1.055 -0.642 228 1HB ALA 37 1HB ALA 37 8.192 0.274 -2.678 229 2HB ALA 37 2HB ALA 37 7.626 -1.395 -2.712 230 3HB ALA 37 3HB ALA 37 8.749 -0.870 -1.457 231 HA PRO 38 HA PRO 38 7.171 2.292 2.100 232 1HB PRO 38 2HB PRO 38 8.710 1.003 3.953 233 2HB PRO 38 1HB PRO 38 6.955 0.785 3.826 234 1HG PRO 38 2HG PRO 38 9.151 -0.972 2.866 235 2HG PRO 38 1HG PRO 38 7.575 -1.404 3.549 236 1HD PRO 38 2HD PRO 38 8.152 -1.469 0.863 237 2HD PRO 38 1HD PRO 38 6.515 -1.265 1.527 238 H VAL 39 H VAL 39 8.980 3.585 2.928 239 HA VAL 39 HA VAL 39 11.652 3.032 1.737 240 HB VAL 39 HB VAL 39 9.913 5.459 1.289 241 1HG1 VAL 39 1HG1 VAL 39 11.905 6.562 1.326 242 2HG1 VAL 39 2HG1 VAL 39 12.105 5.849 -0.274 243 3HG1 VAL 39 3HG1 VAL 39 12.841 5.079 1.132 244 1HG2 VAL 39 1HG2 VAL 39 10.905 4.541 -1.133 245 2HG2 VAL 39 2HG2 VAL 39 9.286 4.236 -0.508 246 3HG2 VAL 39 3HG2 VAL 39 10.570 3.057 -0.246 247 H GLY 40 H GLY 40 11.873 2.700 4.206 248 1HA GLY 40 2HA GLY 40 13.107 3.621 6.035 249 2HA GLY 40 1HA GLY 40 12.800 5.235 5.384 250 H GLY 41 H GLY 41 9.887 4.628 5.055 251 1HA GLY 41 2HA GLY 41 8.593 3.865 7.419 252 2HA GLY 41 1HA GLY 41 8.997 5.572 7.626 253 H GLN 42 H GLN 42 8.725 6.181 4.748 254 HA GLN 42 HA GLN 42 5.814 6.596 4.704 255 1HB GLN 42 2HB GLN 42 8.250 7.526 3.291 256 2HB GLN 42 1HB GLN 42 6.768 7.539 2.335 257 1HG GLN 42 2HG GLN 42 7.253 9.674 3.640 258 2HG GLN 42 1HG GLN 42 5.659 8.965 3.905 259 1HE2 GLN 42 1HE2 GLN 42 8.946 8.328 5.274 260 2HE2 GLN 42 2HE2 GLN 42 8.437 8.374 6.892 261 H ASP 43 H ASP 43 4.701 6.192 2.486 262 HA ASP 43 HA ASP 43 5.549 3.535 1.375 263 1HB ASP 43 2HB ASP 43 2.761 4.569 1.986 264 2HB ASP 43 1HB ASP 43 3.144 2.980 1.322 265 H ALA 44 H ALA 44 6.279 4.131 -0.663 266 HA ALA 44 HA ALA 44 4.742 6.148 -2.228 267 1HB ALA 44 1HB ALA 44 6.751 6.478 -3.346 268 2HB ALA 44 2HB ALA 44 7.238 4.793 -3.169 269 3HB ALA 44 3HB ALA 44 7.362 5.896 -1.799 270 H CYS 45 H CYS 45 3.829 5.586 -4.276 271 HA CYS 45 HA CYS 45 3.550 2.640 -4.747 272 1HB CYS 45 2HB CYS 45 1.797 5.023 -4.894 273 2HB CYS 45 1HB CYS 45 1.552 3.818 -6.155 274 H ASN 46 H ASN 46 3.071 2.164 -7.147 275 HA ASN 46 HA ASN 46 5.233 3.383 -8.767 276 1HB ASN 46 2HB ASN 46 4.818 1.413 -10.196 277 2HB ASN 46 1HB ASN 46 5.014 0.933 -8.512 278 1HD2 ASN 46 1HD2 ASN 46 3.640 -0.836 -10.166 279 2HD2 ASN 46 2HD2 ASN 46 1.979 -0.810 -9.821 280 HA PRO 47 HA PRO 47 1.975 5.682 -10.819 281 1HB PRO 47 2HB PRO 47 3.626 7.529 -11.959 282 2HB PRO 47 1HB PRO 47 3.115 7.610 -10.266 283 1HG PRO 47 2HG PRO 47 5.719 6.827 -11.401 284 2HG PRO 47 1HG PRO 47 5.339 7.520 -9.821 285 1HD PRO 47 2HD PRO 47 5.895 4.811 -10.379 286 2HD PRO 47 1HD PRO 47 5.262 5.474 -8.858 287 H ALA 48 H ALA 48 4.886 4.288 -12.185 288 HA ALA 48 HA ALA 48 4.231 4.705 -14.971 289 1HB ALA 48 1HB ALA 48 5.925 2.621 -14.985 290 2HB ALA 48 2HB ALA 48 6.157 3.146 -13.318 291 3HB ALA 48 3HB ALA 48 6.469 4.264 -14.646 292 H THR 49 H THR 49 3.895 1.887 -12.804 293 HA THR 49 HA THR 49 2.313 0.469 -14.872 294 HB THR 49 HB THR 49 2.421 -1.233 -12.842 295 HG1 THR 49 HG1 THR 49 4.652 -0.685 -11.954 296 1HG2 THR 49 1HG2 THR 49 4.390 -2.155 -13.824 297 2HG2 THR 49 2HG2 THR 49 4.931 -0.571 -14.380 298 3HG2 THR 49 3HG2 THR 49 3.531 -1.339 -15.128 299 H ALA 50 H ALA 50 0.187 1.084 -14.910 300 HA ALA 50 HA ALA 50 -1.353 0.932 -12.366 301 1HB ALA 50 1HB ALA 50 -1.915 3.149 -12.391 302 2HB ALA 50 2HB ALA 50 -2.033 3.191 -14.151 303 3HB ALA 50 3HB ALA 50 -0.457 3.319 -13.369 304 H THR 51 H THR 51 -3.250 -0.192 -12.752 305 HA THR 51 HA THR 51 -4.370 -0.143 -15.522 306 HB THR 51 HB THR 51 -4.382 -2.514 -15.635 307 HG1 THR 51 HG1 THR 51 -4.885 -3.453 -13.840 308 1HG2 THR 51 1HG2 THR 51 -2.093 -3.103 -15.463 309 2HG2 THR 51 2HG2 THR 51 -1.826 -1.986 -14.125 310 3HG2 THR 51 3HG2 THR 51 -2.094 -1.364 -15.753 311 H SER 52 H SER 52 -6.588 -0.100 -15.551 312 HA SER 52 HA SER 52 -8.001 -0.317 -12.917 313 1HB SER 52 2HB SER 52 -8.155 1.422 -15.309 314 2HB SER 52 1HB SER 52 -9.710 0.952 -14.630 315 HG SER 52 HG SER 52 -7.874 2.706 -13.699 316 H PHE 53 H PHE 53 -9.604 -1.899 -12.750 317 HA PHE 53 HA PHE 53 -10.542 -3.190 -15.285 318 1HB PHE 53 2HB PHE 53 -10.058 -5.367 -14.333 319 2HB PHE 53 1HB PHE 53 -8.598 -4.382 -14.222 320 HD1 PHE 53 HD1 PHE 53 -11.046 -6.279 -12.374 321 HD2 PHE 53 HD2 PHE 53 -8.168 -3.107 -12.037 322 HE1 PHE 53 HE1 PHE 53 -11.036 -6.545 -9.908 323 HE2 PHE 53 HE2 PHE 53 -8.157 -3.375 -9.575 324 HZ PHE 53 HZ PHE 53 -9.590 -5.093 -8.508 325 H THR 54 H THR 54 -12.569 -4.256 -15.094 326 HA THR 54 HA THR 54 -14.187 -3.418 -12.722 327 HB THR 54 HB THR 54 -14.811 -4.010 -15.629 328 HG1 THR 54 HG1 THR 54 -14.735 -1.932 -15.729 329 1HG2 THR 54 1HG2 THR 54 -16.496 -4.381 -13.328 330 2HG2 THR 54 2HG2 THR 54 -16.888 -4.622 -15.030 331 3HG2 THR 54 3HG2 THR 54 -17.110 -3.036 -14.291 332 H THR 55 H THR 55 -15.436 -5.065 -11.680 333 HA THR 55 HA THR 55 -14.410 -7.661 -11.495 334 HB THR 55 HB THR 55 -16.904 -8.143 -10.825 335 HG1 THR 55 HG1 THR 55 -18.056 -6.234 -10.541 336 1HG2 THR 55 1HG2 THR 55 -16.341 -7.419 -8.711 337 2HG2 THR 55 2HG2 THR 55 -15.737 -5.866 -9.290 338 3HG2 THR 55 3HG2 THR 55 -14.751 -7.320 -9.470 339 H ASP 56 H ASP 56 -15.706 -9.710 -12.188 340 HA ASP 56 HA ASP 56 -15.984 -9.593 -15.139 341 1HB ASP 56 2HB ASP 56 -15.786 -11.757 -13.036 342 2HB ASP 56 1HB ASP 56 -16.133 -12.133 -14.724 343 H ALA 57 H ALA 57 -17.801 -11.609 -15.608 344 HA ALA 57 HA ALA 57 -20.319 -10.281 -15.249 345 1HB ALA 57 1HB ALA 57 -20.175 -13.201 -15.823 346 2HB ALA 57 2HB ALA 57 -19.321 -12.128 -16.934 347 3HB ALA 57 3HB ALA 57 -21.057 -11.938 -16.681 348 H SER 58 H SER 58 -18.633 -12.796 -13.482 349 HA SER 58 HA SER 58 -20.975 -13.359 -11.771 350 1HB SER 58 2HB SER 58 -19.794 -15.260 -11.278 351 2HB SER 58 1HB SER 58 -18.866 -14.822 -12.711 352 HG SER 58 HG SER 58 -17.446 -15.114 -11.010 353 H GLY 59 H GLY 59 -18.860 -10.857 -11.940 354 1HA GLY 59 2HA GLY 59 -18.475 -9.152 -10.346 355 2HA GLY 59 1HA GLY 59 -19.226 -10.162 -9.116 356 H ALA 60 H ALA 60 -16.781 -11.646 -11.023 357 HA ALA 60 HA ALA 60 -14.811 -11.293 -8.792 358 1HB ALA 60 1HB ALA 60 -14.576 -13.563 -8.675 359 2HB ALA 60 2HB ALA 60 -14.796 -13.774 -10.412 360 3HB ALA 60 3HB ALA 60 -16.198 -13.550 -9.365 361 H ALA 61 H ALA 61 -13.226 -10.029 -9.676 362 HA ALA 61 HA ALA 61 -12.560 -10.182 -12.534 363 1HB ALA 61 1HB ALA 61 -10.703 -8.605 -11.117 364 2HB ALA 61 2HB ALA 61 -12.242 -8.392 -10.281 365 3HB ALA 61 3HB ALA 61 -12.115 -8.035 -12.004 366 H SER 62 H SER 62 -10.445 -10.729 -13.304 367 HA SER 62 HA SER 62 -8.414 -11.859 -11.550 368 1HB SER 62 2HB SER 62 -10.184 -13.630 -13.257 369 2HB SER 62 1HB SER 62 -8.678 -14.170 -12.523 370 HG SER 62 HG SER 62 -9.695 -14.351 -10.696 371 H PHE 63 H PHE 63 -6.622 -11.122 -12.616 372 HA PHE 63 HA PHE 63 -6.323 -11.700 -15.503 373 1HB PHE 63 2HB PHE 63 -5.840 -9.275 -15.939 374 2HB PHE 63 1HB PHE 63 -7.507 -9.572 -15.452 375 HD1 PHE 63 HD1 PHE 63 -4.402 -7.895 -14.627 376 HD2 PHE 63 HD2 PHE 63 -8.174 -9.198 -13.028 377 HE1 PHE 63 HE1 PHE 63 -4.120 -6.344 -12.705 378 HE2 PHE 63 HE2 PHE 63 -7.890 -7.651 -11.112 379 HZ PHE 63 HZ PHE 63 -5.873 -6.228 -10.943 380 H SER 64 H SER 64 -4.070 -10.804 -16.223 381 HA SER 64 HA SER 64 -2.114 -11.568 -14.112 382 1HB SER 64 2HB SER 64 -2.410 -11.849 -16.974 383 2HB SER 64 1HB SER 64 -0.855 -11.120 -16.593 384 HG SER 64 HG SER 64 -0.291 -12.882 -15.474 385 H PHE 65 H PHE 65 -0.879 -10.023 -13.160 386 HA PHE 65 HA PHE 65 -0.748 -7.317 -14.405 387 1HB PHE 65 2HB PHE 65 -2.075 -7.305 -12.403 388 2HB PHE 65 1HB PHE 65 -0.888 -8.286 -11.545 389 HD1 PHE 65 HD1 PHE 65 -0.125 -5.470 -13.833 390 HD2 PHE 65 HD2 PHE 65 -0.347 -6.797 -9.757 391 HE1 PHE 65 HE1 PHE 65 1.045 -3.414 -13.100 392 HE2 PHE 65 HE2 PHE 65 0.821 -4.744 -9.024 393 HZ PHE 65 HZ PHE 65 1.523 -3.051 -10.692 394 H VAL 66 H VAL 66 1.317 -6.530 -14.776 395 HA VAL 66 HA VAL 66 3.607 -8.271 -14.202 396 HB VAL 66 HB VAL 66 3.541 -5.466 -15.326 397 1HG1 VAL 66 1HG1 VAL 66 5.571 -6.235 -16.518 398 2HG1 VAL 66 2HG1 VAL 66 5.444 -7.795 -15.706 399 3HG1 VAL 66 3HG1 VAL 66 5.771 -6.336 -14.769 400 1HG2 VAL 66 1HG2 VAL 66 3.300 -8.071 -16.857 401 2HG2 VAL 66 2HG2 VAL 66 3.224 -6.439 -17.521 402 3HG2 VAL 66 3HG2 VAL 66 1.928 -7.030 -16.480 403 H VAL 67 H VAL 67 5.505 -7.456 -13.047 404 HA VAL 67 HA VAL 67 4.913 -5.301 -11.065 405 HB VAL 67 HB VAL 67 6.047 -6.851 -9.387 406 1HG1 VAL 67 1HG1 VAL 67 3.928 -8.454 -9.441 407 2HG1 VAL 67 2HG1 VAL 67 3.379 -7.315 -10.670 408 3HG1 VAL 67 3HG1 VAL 67 3.754 -6.745 -9.044 409 1HG2 VAL 67 1HG2 VAL 67 6.753 -8.918 -10.012 410 2HG2 VAL 67 2HG2 VAL 67 6.645 -8.310 -11.665 411 3HG2 VAL 67 3HG2 VAL 67 5.301 -9.215 -10.968 412 H ARG 68 H ARG 68 7.108 -4.836 -9.852 413 HA ARG 68 HA ARG 68 9.468 -5.290 -11.569 414 1HB ARG 68 2HB ARG 68 8.070 -2.659 -11.108 415 2HB ARG 68 1HB ARG 68 9.775 -2.727 -11.559 416 1HG ARG 68 2HG ARG 68 9.112 -4.166 -13.524 417 2HG ARG 68 1HG ARG 68 7.428 -3.833 -13.120 418 1HD ARG 68 2HD ARG 68 9.458 -1.633 -13.603 419 2HD ARG 68 1HD ARG 68 8.404 -2.282 -14.875 420 HE ARG 68 HE ARG 68 6.655 -1.765 -12.799 421 1HH1 ARG 68 1HH1 ARG 68 7.506 -0.177 -15.476 422 2HH1 ARG 68 2HH1 ARG 68 7.393 1.432 -14.846 423 1HH2 ARG 68 1HH2 ARG 68 7.175 0.407 -11.541 424 2HH2 ARG 68 2HH2 ARG 68 7.206 1.763 -12.618 425 H LYS 69 H LYS 69 10.603 -6.212 -9.881 426 HA LYS 69 HA LYS 69 10.685 -5.842 -7.194 427 1HB LYS 69 2HB LYS 69 12.202 -7.305 -8.388 428 2HB LYS 69 1HB LYS 69 12.993 -5.926 -9.154 429 1HG LYS 69 2HG LYS 69 13.998 -5.227 -7.144 430 2HG LYS 69 1HG LYS 69 12.894 -6.189 -6.157 431 1HD LYS 69 2HD LYS 69 14.550 -7.733 -6.114 432 2HD LYS 69 1HD LYS 69 14.067 -8.094 -7.771 433 1HE LYS 69 2HE LYS 69 15.674 -5.959 -8.234 434 2HE LYS 69 1HE LYS 69 16.454 -6.626 -6.787 435 1HZ LYS 69 1HZ LYS 69 16.522 -8.781 -7.795 436 2HZ LYS 69 2HZ LYS 69 17.227 -7.676 -8.876 437 3HZ LYS 69 3HZ LYS 69 15.647 -8.241 -9.143 438 H SER 70 H SER 70 12.455 -3.720 -9.460 439 HA SER 70 HA SER 70 12.639 -1.681 -7.276 440 1HB SER 70 2HB SER 70 14.651 -2.782 -8.533 441 2HB SER 70 1HB SER 70 14.207 -1.695 -9.843 442 HG SER 70 HG SER 70 14.920 -0.061 -8.713 443 H TYR 71 H TYR 71 11.912 0.422 -7.701 444 HA TYR 71 HA TYR 71 11.156 1.379 -10.325 445 1HB TYR 71 2HB TYR 71 8.775 1.095 -10.204 446 2HB TYR 71 1HB TYR 71 9.466 -0.470 -9.775 447 HD1 TYR 71 HD1 TYR 71 9.269 -1.366 -7.545 448 HD2 TYR 71 HD2 TYR 71 7.875 2.601 -8.431 449 HE1 TYR 71 HE1 TYR 71 8.105 -1.286 -5.355 450 HE2 TYR 71 HE2 TYR 71 6.712 2.681 -6.239 451 HH TYR 71 HH TYR 71 5.870 1.242 -4.542 452 H THR 72 H THR 72 10.937 3.611 -10.190 453 HA THR 72 HA THR 72 11.511 4.993 -7.766 454 HB THR 72 HB THR 72 9.959 6.332 -9.920 455 HG1 THR 72 HG1 THR 72 11.362 5.885 -11.449 456 1HG2 THR 72 1HG2 THR 72 11.465 7.232 -7.880 457 2HG2 THR 72 2HG2 THR 72 11.294 8.118 -9.394 458 3HG2 THR 72 3HG2 THR 72 12.713 7.106 -9.121 459 H GLY 73 H GLY 73 10.159 4.875 -6.013 460 1HA GLY 73 2HA GLY 73 7.271 4.585 -6.326 461 2HA GLY 73 1HA GLY 73 8.138 4.735 -4.799 462 H SER 74 H SER 74 5.735 6.117 -5.344 463 HA SER 74 HA SER 74 6.421 8.806 -4.586 464 1HB SER 74 2HB SER 74 7.193 8.858 -6.930 465 2HB SER 74 1HB SER 74 5.606 8.326 -7.476 466 HG SER 74 HG SER 74 6.466 10.801 -6.855 467 H THR 75 H THR 75 4.632 9.301 -3.367 468 HA THR 75 HA THR 75 2.233 7.981 -3.116 469 HB THR 75 HB THR 75 1.382 10.082 -2.213 470 HG1 THR 75 HG1 THR 75 1.850 11.533 -3.784 471 1HG2 THR 75 1HG2 THR 75 3.567 8.836 -1.313 472 2HG2 THR 75 2HG2 THR 75 2.985 10.328 -0.571 473 3HG2 THR 75 3HG2 THR 75 4.315 10.380 -1.730 474 HA PRO 76 HA PRO 76 -0.104 8.291 -6.824 475 1HB PRO 76 2HB PRO 76 -2.639 8.528 -5.779 476 2HB PRO 76 1HB PRO 76 -1.730 7.001 -5.817 477 1HG PRO 76 2HG PRO 76 -2.010 8.969 -3.579 478 2HG PRO 76 1HG PRO 76 -2.153 7.200 -3.541 479 1HD PRO 76 2HD PRO 76 0.093 8.384 -2.743 480 2HD PRO 76 1HD PRO 76 0.156 6.879 -3.689 481 H GLU 77 H GLU 77 -1.068 10.620 -4.272 482 HA GLU 77 HA GLU 77 -0.911 12.821 -6.265 483 1HB GLU 77 2HB GLU 77 -3.354 11.780 -4.864 484 2HB GLU 77 1HB GLU 77 -3.248 13.500 -5.243 485 1HG GLU 77 2HG GLU 77 -2.826 11.298 -7.282 486 2HG GLU 77 1HG GLU 77 -4.362 12.132 -7.039 487 H GLY 78 H GLY 78 0.823 13.704 -4.990 488 1HA GLY 78 2HA GLY 78 0.135 15.497 -2.927 489 2HA GLY 78 1HA GLY 78 0.689 14.019 -2.141 490 H THR 79 H THR 79 2.889 13.513 -2.192 491 HA THR 79 HA THR 79 4.687 15.409 -3.666 492 HB THR 79 HB THR 79 4.445 16.096 -1.320 493 HG1 THR 79 HG1 THR 79 6.503 16.422 -1.272 494 1HG2 THR 79 1HG2 THR 79 5.350 14.378 0.405 495 2HG2 THR 79 2HG2 THR 79 5.007 13.179 -0.843 496 3HG2 THR 79 3HG2 THR 79 3.703 14.174 -0.193 497 HA PRO 80 HA PRO 80 6.812 11.747 -4.888 498 1HB PRO 80 2HB PRO 80 9.375 12.702 -5.105 499 2HB PRO 80 1HB PRO 80 8.100 13.076 -6.282 500 1HG PRO 80 2HG PRO 80 9.123 14.728 -4.015 501 2HG PRO 80 1HG PRO 80 8.687 15.220 -5.660 502 1HD PRO 80 2HD PRO 80 7.048 15.618 -3.545 503 2HD PRO 80 1HD PRO 80 6.434 15.306 -5.182 504 H VAL 81 H VAL 81 8.209 10.107 -3.987 505 HA VAL 81 HA VAL 81 8.986 10.618 -1.145 506 HB VAL 81 HB VAL 81 8.366 8.011 -2.528 507 1HG1 VAL 81 1HG1 VAL 81 8.280 7.076 -0.355 508 2HG1 VAL 81 2HG1 VAL 81 8.176 8.661 0.412 509 3HG1 VAL 81 3HG1 VAL 81 9.694 8.129 -0.312 510 1HG2 VAL 81 1HG2 VAL 81 6.116 8.205 -1.875 511 2HG2 VAL 81 2HG2 VAL 81 6.493 9.837 -2.422 512 3HG2 VAL 81 3HG2 VAL 81 6.470 9.469 -0.698 513 H GLY 82 H GLY 82 9.997 9.001 -4.144 514 1HA GLY 82 2HA GLY 82 12.556 9.538 -4.471 515 2HA GLY 82 1HA GLY 82 12.707 8.610 -2.978 516 H SER 83 H SER 83 14.032 7.109 -4.307 517 HA SER 83 HA SER 83 12.540 5.502 -6.304 518 1HB SER 83 2HB SER 83 15.345 4.940 -5.449 519 2HB SER 83 1HB SER 83 14.645 4.907 -7.065 520 HG SER 83 HG SER 83 16.030 6.837 -5.968 521 H VAL 84 H VAL 84 12.083 3.292 -5.994 522 HA VAL 84 HA VAL 84 12.419 2.293 -3.183 523 HB VAL 84 HB VAL 84 10.346 1.928 -5.348 524 1HG1 VAL 84 1HG1 VAL 84 9.333 0.128 -4.146 525 2HG1 VAL 84 2HG1 VAL 84 10.422 0.333 -2.777 526 3HG1 VAL 84 3HG1 VAL 84 11.032 -0.305 -4.302 527 1HG2 VAL 84 1HG2 VAL 84 8.860 2.495 -3.351 528 2HG2 VAL 84 2HG2 VAL 84 9.924 3.791 -3.899 529 3HG2 VAL 84 3HG2 VAL 84 10.342 2.855 -2.465 530 H ASP 85 H ASP 85 12.895 -0.009 -2.957 531 HA ASP 85 HA ASP 85 13.809 -1.478 -5.367 532 1HB ASP 85 2HB ASP 85 16.075 -1.758 -4.314 533 2HB ASP 85 1HB ASP 85 15.717 -0.085 -4.743 534 H CYS 86 H CYS 86 12.832 -3.449 -5.010 535 HA CYS 86 HA CYS 86 12.171 -4.390 -2.328 536 1HB CYS 86 2HB CYS 86 11.293 -4.787 -4.944 537 2HB CYS 86 1HB CYS 86 12.019 -6.330 -4.506 538 H ALA 87 H ALA 87 15.034 -4.377 -4.046 539 HA ALA 87 HA ALA 87 16.114 -6.976 -3.821 540 1HB ALA 87 1HB ALA 87 17.072 -4.171 -3.906 541 2HB ALA 87 2HB ALA 87 17.574 -5.555 -4.878 542 3HB ALA 87 3HB ALA 87 18.223 -5.337 -3.253 543 H THR 88 H THR 88 15.723 -4.429 -1.429 544 HA THR 88 HA THR 88 16.260 -6.407 0.736 545 HB THR 88 HB THR 88 18.336 -5.181 0.320 546 HG1 THR 88 HG1 THR 88 18.486 -5.097 2.394 547 1HG2 THR 88 1HG2 THR 88 16.453 -2.989 -0.075 548 2HG2 THR 88 2HG2 THR 88 18.119 -3.150 -0.635 549 3HG2 THR 88 3HG2 THR 88 17.787 -2.536 0.986 550 H ALA 89 H ALA 89 14.053 -4.489 -0.619 551 HA ALA 89 HA ALA 89 13.019 -3.341 1.934 552 1HB ALA 89 1HB ALA 89 13.561 -1.951 -0.182 553 2HB ALA 89 2HB ALA 89 11.987 -1.693 0.570 554 3HB ALA 89 3HB ALA 89 12.121 -2.696 -0.876 555 H ALA 90 H ALA 90 10.523 -3.366 2.016 556 HA ALA 90 HA ALA 90 9.556 -6.048 1.090 557 1HB ALA 90 1HB ALA 90 9.630 -5.710 3.501 558 2HB ALA 90 2HB ALA 90 7.943 -5.735 2.988 559 3HB ALA 90 3HB ALA 90 8.732 -4.200 3.349 560 H CYS 91 H CYS 91 8.503 -5.685 -0.865 561 HA CYS 91 HA CYS 91 6.924 -3.249 -1.323 562 1HB CYS 91 2HB CYS 91 7.273 -5.798 -2.931 563 2HB CYS 91 1HB CYS 91 6.625 -4.273 -3.538 564 H ASN 92 H ASN 92 4.617 -3.611 -2.251 565 HA ASN 92 HA ASN 92 3.154 -5.911 -1.101 566 1HB ASN 92 2HB ASN 92 1.724 -4.449 0.271 567 2HB ASN 92 1HB ASN 92 3.413 -4.266 0.743 568 1HD2 ASN 92 1HD2 ASN 92 3.032 -2.061 1.527 569 2HD2 ASN 92 2HD2 ASN 92 2.777 -0.778 0.446 570 H LEU 93 H LEU 93 0.608 -5.221 -1.444 571 HA LEU 93 HA LEU 93 0.302 -3.827 -4.057 572 1HB LEU 93 2HB LEU 93 0.773 -6.342 -4.282 573 2HB LEU 93 1HB LEU 93 -0.806 -6.594 -3.535 574 HG LEU 93 HG LEU 93 -1.849 -5.213 -5.315 575 1HD1 LEU 93 1HD1 LEU 93 0.187 -5.244 -7.277 576 2HD1 LEU 93 2HD1 LEU 93 0.919 -4.577 -5.816 577 3HD1 LEU 93 3HD1 LEU 93 -0.526 -3.832 -6.497 578 1HD2 LEU 93 1HD2 LEU 93 -0.271 -7.687 -5.926 579 2HD2 LEU 93 2HD2 LEU 93 -1.081 -6.860 -7.256 580 3HD2 LEU 93 3HD2 LEU 93 -2.019 -7.457 -5.887 581 H GLY 94 H GLY 94 -1.734 -2.836 -4.240 582 1HA GLY 94 2HA GLY 94 -3.828 -3.575 -2.264 583 2HA GLY 94 1HA GLY 94 -3.273 -1.899 -2.291 584 H ALA 95 H ALA 95 -5.935 -3.106 -2.995 585 HA ALA 95 HA ALA 95 -6.260 -1.678 -5.583 586 1HB ALA 95 1HB ALA 95 -7.677 -4.228 -5.542 587 2HB ALA 95 2HB ALA 95 -5.933 -4.447 -5.392 588 3HB ALA 95 3HB ALA 95 -6.597 -3.576 -6.774 589 H GLY 96 H GLY 96 -8.263 -0.644 -5.662 590 1HA GLY 96 2HA GLY 96 -10.694 -1.482 -4.581 591 2HA GLY 96 1HA GLY 96 -9.896 -0.612 -3.272 592 H ASN 97 H ASN 97 -12.264 0.383 -4.313 593 HA ASN 97 HA ASN 97 -11.518 2.547 -6.199 594 1HB ASN 97 2HB ASN 97 -13.518 1.160 -6.606 595 2HB ASN 97 1HB ASN 97 -14.164 1.633 -5.036 596 1HD2 ASN 97 1HD2 ASN 97 -12.632 3.491 -7.730 597 2HD2 ASN 97 2HD2 ASN 97 -13.879 4.637 -7.840 598 H SER 98 H SER 98 -12.631 4.739 -5.606 599 HA SER 98 HA SER 98 -11.469 5.995 -3.451 600 1HB SER 98 2HB SER 98 -13.292 7.631 -3.686 601 2HB SER 98 1HB SER 98 -12.791 7.040 -5.267 602 HG SER 98 HG SER 98 -15.049 6.285 -3.724 603 H GLY 99 H GLY 99 -14.577 4.222 -3.368 604 1HA GLY 99 2HA GLY 99 -14.543 4.514 -0.391 605 2HA GLY 99 1HA GLY 99 -16.004 4.242 -1.341 606 H LEU 100 H LEU 100 -15.711 2.124 -2.802 607 HA LEU 100 HA LEU 100 -15.921 -0.161 -1.300 608 1HB LEU 100 2HB LEU 100 -15.907 0.422 -3.916 609 2HB LEU 100 1HB LEU 100 -14.327 -0.352 -3.815 610 HG LEU 100 HG LEU 100 -16.161 -1.964 -4.354 611 1HD1 LEU 100 1HD1 LEU 100 -15.230 -3.643 -3.066 612 2HD1 LEU 100 2HD1 LEU 100 -15.254 -2.671 -1.594 613 3HD1 LEU 100 3HD1 LEU 100 -14.021 -2.382 -2.821 614 1HD2 LEU 100 1HD2 LEU 100 -17.615 -0.531 -2.522 615 2HD2 LEU 100 2HD2 LEU 100 -17.154 -1.944 -1.571 616 3HD2 LEU 100 3HD2 LEU 100 -18.043 -2.148 -3.080 617 H ASP 101 H ASP 101 -14.571 -0.915 0.283 618 HA ASP 101 HA ASP 101 -11.625 -0.571 -0.024 619 1HB ASP 101 2HB ASP 101 -13.127 0.089 2.015 620 2HB ASP 101 1HB ASP 101 -13.081 -1.635 2.386 621 H LEU 102 H LEU 102 -11.286 -2.331 -1.543 622 HA LEU 102 HA LEU 102 -12.237 -5.017 -1.057 623 1HB LEU 102 2HB LEU 102 -10.305 -3.601 -2.848 624 2HB LEU 102 1HB LEU 102 -10.199 -5.359 -2.747 625 HG LEU 102 HG LEU 102 -12.897 -4.115 -3.109 626 1HD1 LEU 102 1HD1 LEU 102 -10.708 -4.278 -5.174 627 2HD1 LEU 102 2HD1 LEU 102 -11.822 -2.951 -4.848 628 3HD1 LEU 102 3HD1 LEU 102 -12.401 -4.411 -5.647 629 1HD2 LEU 102 1HD2 LEU 102 -12.609 -6.312 -4.761 630 2HD2 LEU 102 2HD2 LEU 102 -13.270 -6.352 -3.127 631 3HD2 LEU 102 3HD2 LEU 102 -11.569 -6.721 -3.397 632 H GLY 103 H GLY 103 -8.795 -4.687 -1.535 633 1HA GLY 103 2HA GLY 103 -7.928 -4.968 1.180 634 2HA GLY 103 1HA GLY 103 -8.097 -6.569 0.458 635 H HIS 104 H HIS 104 -5.610 -6.199 1.084 636 HA HIS 104 HA HIS 104 -4.245 -5.495 -1.482 637 1HB HIS 104 2HB HIS 104 -2.429 -4.540 0.218 638 2HB HIS 104 1HB HIS 104 -3.785 -3.542 -0.295 639 HD1 HIS 104 HD1 HIS 104 -4.920 -2.431 1.611 640 HD2 HIS 104 HD2 HIS 104 -3.304 -6.102 2.741 641 HE1 HIS 104 HE1 HIS 104 -5.435 -2.711 4.076 642 H VAL 105 H VAL 105 -2.366 -6.746 -1.885 643 HA VAL 105 HA VAL 105 -1.934 -9.036 0.008 644 HB VAL 105 HB VAL 105 -1.477 -8.815 -2.981 645 1HG1 VAL 105 1HG1 VAL 105 -1.804 -11.483 -1.972 646 2HG1 VAL 105 2HG1 VAL 105 -0.547 -10.669 -1.040 647 3HG1 VAL 105 3HG1 VAL 105 -0.410 -10.783 -2.795 648 1HG2 VAL 105 1HG2 VAL 105 -3.794 -8.833 -2.868 649 2HG2 VAL 105 2HG2 VAL 105 -3.815 -9.663 -1.312 650 3HG2 VAL 105 3HG2 VAL 105 -3.481 -10.568 -2.789 651 H ALA 106 H ALA 106 0.182 -9.424 0.694 652 HA ALA 106 HA ALA 106 2.183 -7.332 0.187 653 1HB ALA 106 1HB ALA 106 2.369 -9.938 1.725 654 2HB ALA 106 2HB ALA 106 1.698 -8.449 2.393 655 3HB ALA 106 3HB ALA 106 3.398 -8.519 1.924 656 H LEU 107 H LEU 107 4.180 -7.663 -0.912 657 HA LEU 107 HA LEU 107 4.428 -10.251 -2.412 658 1HB LEU 107 2HB LEU 107 5.173 -7.521 -3.480 659 2HB LEU 107 1HB LEU 107 4.935 -9.013 -4.388 660 HG LEU 107 HG LEU 107 2.689 -7.750 -2.810 661 1HD1 LEU 107 1HD1 LEU 107 2.935 -6.001 -4.262 662 2HD1 LEU 107 2HD1 LEU 107 2.111 -7.098 -5.371 663 3HD1 LEU 107 3HD1 LEU 107 3.869 -6.957 -5.415 664 1HD2 LEU 107 1HD2 LEU 107 2.556 -10.145 -3.597 665 2HD2 LEU 107 2HD2 LEU 107 2.697 -9.550 -5.252 666 3HD2 LEU 107 3HD2 LEU 107 1.303 -9.102 -4.269 667 H THR 108 H THR 108 6.683 -10.651 -3.152 668 HA THR 108 HA THR 108 8.801 -9.173 -1.690 669 HB THR 108 HB THR 108 8.130 -12.096 -1.388 670 HG1 THR 108 HG1 THR 108 8.444 -10.021 0.498 671 1HG2 THR 108 1HG2 THR 108 10.615 -10.563 -0.700 672 2HG2 THR 108 2HG2 THR 108 10.477 -12.104 -1.545 673 3HG2 THR 108 3HG2 THR 108 10.162 -12.016 0.189 674 H PHE 109 H PHE 109 11.000 -9.910 -2.503 675 HA PHE 109 HA PHE 109 10.807 -11.149 -5.225 676 1HB PHE 109 2HB PHE 109 12.032 -8.573 -4.282 677 2HB PHE 109 1HB PHE 109 12.680 -9.385 -5.708 678 HD1 PHE 109 HD1 PHE 109 9.522 -8.062 -4.216 679 HD2 PHE 109 HD2 PHE 109 11.588 -9.232 -7.794 680 HE1 PHE 109 HE1 PHE 109 7.667 -7.147 -5.586 681 HE2 PHE 109 HE2 PHE 109 9.734 -8.319 -9.164 682 HZ PHE 109 HZ PHE 109 7.779 -7.272 -8.061 683 H GLY 110 H GLY 110 11.975 -13.019 -5.084 684 1HA GLY 110 2HA GLY 110 13.874 -13.686 -3.118 685 2HA GLY 110 1HA GLY 110 13.809 -14.435 -4.714 686 2H2' ROM 111 2H2' ROM 111 -10.414 5.358 -7.247 687 2H3' ROM 111 2H3' ROM 111 -8.494 5.700 -9.581 688 H'1 ROM 111 H'1 ROM 111 -4.087 5.452 -9.527 689 3H18 ROM 111 3H18 ROM 111 -5.064 3.496 1.436 690 2H18 ROM 111 2H18 ROM 111 -5.450 2.229 0.372 691 2H23 ROM 111 2H23 ROM 111 -7.583 8.005 -1.911 692 H1' ROM 111 H1' ROM 111 -8.527 7.190 -7.360 693 H2' ROM 111 H2' ROM 111 -11.356 7.328 -8.389 694 H3' ROM 111 H3' ROM 111 -10.289 6.807 -10.533 695 H4' ROM 111 H4' ROM 111 -10.589 9.160 -9.953 696 1H6B ROM 111 1H6B ROM 111 -8.081 11.334 -8.308 697 3H6B ROM 111 3H6B ROM 111 -8.945 11.179 -9.838 698 2H6B ROM 111 2H6B ROM 111 -9.844 11.259 -8.323 699 1H6A ROM 111 1H6A ROM 111 -7.209 8.306 -9.492 700 3H6A ROM 111 3H6A ROM 111 -6.785 9.837 -8.744 701 2H6A ROM 111 2H6A ROM 111 -7.186 8.444 -7.739 702 1H4B ROM 111 1H4B ROM 111 -7.344 7.815 -11.256 703 3H4B ROM 111 3H4B ROM 111 -8.875 7.223 -11.919 704 2H4B ROM 111 2H4B ROM 111 -7.909 8.397 -12.829 705 1H4A ROM 111 1H4A ROM 111 -10.669 10.239 -11.512 706 3H4A ROM 111 3H4A ROM 111 -9.383 10.506 -12.703 707 2H4A ROM 111 2H4A ROM 111 -10.306 8.991 -12.718 708 H'8 ROM 111 H'8 ROM 111 -0.027 5.267 -7.217 709 H'6 ROM 111 H'6 ROM 111 0.547 8.033 -10.418 710 1H3A ROM 111 1H3A ROM 111 -2.976 7.581 -14.075 711 2H3A ROM 111 2H3A ROM 111 -4.172 8.673 -13.180 712 1H7A ROM 111 1H7A ROM 111 3.123 8.294 -8.247 713 3H7A ROM 111 3H7A ROM 111 1.659 8.699 -9.138 714 2H7A ROM 111 2H7A ROM 111 1.613 8.564 -7.389 715 H3 ROM 111 H3 ROM 111 -5.175 6.516 -6.324 716 H6 ROM 111 H6 ROM 111 -8.075 3.130 -4.189 717 H5 ROM 111 H5 ROM 111 -5.858 2.448 -5.063 718 H12 ROM 111 H12 ROM 111 -6.207 8.848 -5.345 719 H8 ROM 111 H8 ROM 111 -9.989 5.210 -4.672 720 H13 ROM 111 H13 ROM 111 -3.969 3.064 -6.632 721 H10 ROM 111 H10 ROM 111 -9.973 8.605 -3.419 722 H11 ROM 111 H11 ROM 111 -7.833 10.073 -3.771 723 2H14 ROM 111 2H14 ROM 111 -2.290 3.162 -5.075 724 1H14 ROM 111 1H14 ROM 111 -2.464 4.907 -4.840 725 2H17 ROM 111 2H17 ROM 111 -4.384 2.208 -1.952 726 1H17 ROM 111 1H17 ROM 111 -2.911 2.393 -1.002 727 H18 ROM 111 H18 ROM 111 -3.820 4.624 -0.220 728 H20 ROM 111 H20 ROM 111 -6.786 2.540 -0.921 729 H24 ROM 111 H24 ROM 111 -4.930 6.340 -1.439 730 4H18 ROM 111 4H18 ROM 111 -3.851 2.431 0.906 Start of MODEL 25 1 1H ALA 1 1H ALA 1 -17.717 -8.350 4.386 2 2H ALA 1 2H ALA 1 -17.879 -9.406 3.065 3 3H ALA 1 3H ALA 1 -18.330 -7.775 2.910 4 HA ALA 1 HA ALA 1 -16.202 -7.051 2.643 5 1HB ALA 1 1HB ALA 1 -15.695 -7.752 4.949 6 2HB ALA 1 2HB ALA 1 -14.356 -8.172 3.881 7 3HB ALA 1 3HB ALA 1 -15.488 -9.418 4.406 8 HA PRO 2 HA PRO 2 -15.795 -9.794 -0.851 9 1HB PRO 2 2HB PRO 2 -14.048 -8.226 -2.268 10 2HB PRO 2 1HB PRO 2 -15.795 -7.911 -2.196 11 1HG PRO 2 2HG PRO 2 -13.577 -6.615 -0.688 12 2HG PRO 2 1HG PRO 2 -15.036 -5.896 -1.392 13 1HD PRO 2 2HD PRO 2 -14.784 -6.443 1.269 14 2HD PRO 2 1HD PRO 2 -16.344 -6.452 0.415 15 H ALA 3 H ALA 3 -13.275 -9.930 -2.225 16 HA ALA 3 HA ALA 3 -11.179 -10.417 -0.220 17 1HB ALA 3 1HB ALA 3 -12.870 -12.565 -1.463 18 2HB ALA 3 2HB ALA 3 -12.339 -12.402 0.210 19 3HB ALA 3 3HB ALA 3 -11.196 -12.917 -1.033 20 H PHE 4 H PHE 4 -9.384 -9.735 -1.288 21 HA PHE 4 HA PHE 4 -9.166 -10.240 -4.238 22 1HB PHE 4 2HB PHE 4 -9.187 -7.889 -3.608 23 2HB PHE 4 1HB PHE 4 -7.976 -8.172 -2.358 24 HD1 PHE 4 HD1 PHE 4 -5.695 -9.184 -3.160 25 HD2 PHE 4 HD2 PHE 4 -8.508 -7.230 -5.745 26 HE1 PHE 4 HE1 PHE 4 -3.890 -8.779 -4.815 27 HE2 PHE 4 HE2 PHE 4 -6.709 -6.826 -7.403 28 HZ PHE 4 HZ PHE 4 -4.397 -7.600 -6.940 29 H SER 5 H SER 5 -7.637 -11.812 -4.785 30 HA SER 5 HA SER 5 -5.265 -12.103 -2.980 31 1HB SER 5 2HB SER 5 -5.730 -14.333 -2.530 32 2HB SER 5 1HB SER 5 -7.361 -13.671 -2.604 33 HG SER 5 HG SER 5 -7.698 -14.734 -4.401 34 H VAL 6 H VAL 6 -3.451 -13.111 -3.971 35 HA VAL 6 HA VAL 6 -3.511 -13.187 -6.968 36 HB VAL 6 HB VAL 6 -2.209 -11.352 -6.027 37 1HG1 VAL 6 1HG1 VAL 6 -1.771 -11.950 -3.802 38 2HG1 VAL 6 2HG1 VAL 6 -0.184 -12.116 -4.551 39 3HG1 VAL 6 3HG1 VAL 6 -1.171 -13.547 -4.250 40 1HG2 VAL 6 1HG2 VAL 6 -0.084 -13.383 -6.624 41 2HG2 VAL 6 2HG2 VAL 6 -0.237 -11.727 -7.211 42 3HG2 VAL 6 3HG2 VAL 6 -1.260 -12.998 -7.880 43 H SER 7 H SER 7 -1.897 -14.793 -7.897 44 HA SER 7 HA SER 7 -2.093 -17.344 -6.525 45 1HB SER 7 2HB SER 7 -2.105 -17.557 -8.835 46 2HB SER 7 1HB SER 7 -0.949 -16.252 -9.071 47 HG SER 7 HG SER 7 0.277 -17.990 -9.400 48 HA PRO 8 HA PRO 8 2.549 -17.027 -5.689 49 1HB PRO 8 2HB PRO 8 4.078 -15.096 -6.851 50 2HB PRO 8 1HB PRO 8 3.709 -16.634 -7.659 51 1HG PRO 8 2HG PRO 8 2.489 -13.952 -8.057 52 2HG PRO 8 1HG PRO 8 2.874 -15.203 -9.247 53 1HD PRO 8 2HD PRO 8 0.351 -14.739 -8.280 54 2HD PRO 8 1HD PRO 8 0.909 -16.303 -8.911 55 H ALA 9 H ALA 9 4.279 -14.916 -5.006 56 HA ALA 9 HA ALA 9 3.179 -12.504 -4.041 57 1HB ALA 9 1HB ALA 9 1.888 -13.092 -2.287 58 2HB ALA 9 2HB ALA 9 3.196 -14.057 -1.602 59 3HB ALA 9 3HB ALA 9 2.091 -14.776 -2.769 60 H SER 10 H SER 10 5.393 -15.173 -3.553 61 HA SER 10 HA SER 10 7.378 -13.252 -2.386 62 1HB SER 10 2HB SER 10 8.157 -15.109 -1.018 63 2HB SER 10 1HB SER 10 6.415 -14.955 -0.807 64 HG SER 10 HG SER 10 7.319 -17.132 -1.254 65 H GLY 11 H GLY 11 9.691 -14.109 -2.775 66 1HA GLY 11 2HA GLY 11 11.316 -14.503 -4.436 67 2HA GLY 11 1HA GLY 11 10.445 -16.022 -4.636 68 H LEU 12 H LEU 12 9.358 -12.709 -5.310 69 HA LEU 12 HA LEU 12 8.278 -13.513 -7.902 70 1HB LEU 12 2HB LEU 12 8.632 -10.847 -6.503 71 2HB LEU 12 1HB LEU 12 7.658 -11.098 -7.952 72 HG LEU 12 HG LEU 12 7.226 -12.359 -5.232 73 1HD1 LEU 12 1HD1 LEU 12 4.983 -11.186 -5.549 74 2HD1 LEU 12 2HD1 LEU 12 5.728 -10.332 -6.901 75 3HD1 LEU 12 3HD1 LEU 12 6.369 -10.136 -5.271 76 1HD2 LEU 12 1HD2 LEU 12 6.071 -12.935 -7.953 77 2HD2 LEU 12 2HD2 LEU 12 5.097 -13.192 -6.505 78 3HD2 LEU 12 3HD2 LEU 12 6.612 -14.071 -6.718 79 H SER 13 H SER 13 8.834 -11.470 -9.607 80 HA SER 13 HA SER 13 11.751 -11.027 -9.749 81 1HB SER 13 2HB SER 13 12.072 -12.860 -11.030 82 2HB SER 13 1HB SER 13 10.344 -13.192 -11.061 83 HG SER 13 HG SER 13 11.801 -12.406 -13.053 84 H ASP 14 H ASP 14 12.279 -9.339 -11.224 85 HA ASP 14 HA ASP 14 10.304 -7.336 -11.693 86 1HB ASP 14 2HB ASP 14 12.155 -6.355 -13.083 87 2HB ASP 14 1HB ASP 14 12.685 -6.885 -11.486 88 H GLY 15 H GLY 15 8.817 -7.140 -13.318 89 1HA GLY 15 2HA GLY 15 8.015 -7.254 -15.569 90 2HA GLY 15 1HA GLY 15 9.354 -8.333 -15.958 91 H GLN 16 H GLN 16 8.773 -9.993 -13.548 92 HA GLN 16 HA GLN 16 7.262 -12.061 -14.688 93 1HB GLN 16 2HB GLN 16 8.706 -12.157 -12.659 94 2HB GLN 16 1HB GLN 16 7.473 -11.264 -11.768 95 1HG GLN 16 2HG GLN 16 5.867 -13.159 -12.582 96 2HG GLN 16 1HG GLN 16 7.355 -14.065 -12.851 97 1HE2 GLN 16 1HE2 GLN 16 5.164 -14.387 -10.746 98 2HE2 GLN 16 2HE2 GLN 16 5.999 -14.372 -9.272 99 H SER 17 H SER 17 5.049 -12.606 -14.651 100 HA SER 17 HA SER 17 3.190 -10.429 -13.746 101 1HB SER 17 2HB SER 17 3.012 -10.598 -16.081 102 2HB SER 17 1HB SER 17 3.275 -12.339 -16.075 103 HG SER 17 HG SER 17 1.017 -11.337 -16.339 104 H VAL 18 H VAL 18 2.034 -11.039 -11.963 105 HA VAL 18 HA VAL 18 1.788 -13.910 -11.263 106 HB VAL 18 HB VAL 18 0.957 -12.933 -9.130 107 1HG1 VAL 18 1HG1 VAL 18 3.370 -11.343 -9.990 108 2HG1 VAL 18 2HG1 VAL 18 3.459 -13.096 -9.824 109 3HG1 VAL 18 3HG1 VAL 18 3.046 -12.098 -8.429 110 1HG2 VAL 18 1HG2 VAL 18 0.034 -10.884 -10.588 111 2HG2 VAL 18 2HG2 VAL 18 1.590 -10.189 -10.135 112 3HG2 VAL 18 3HG2 VAL 18 0.451 -10.689 -8.885 113 H SER 19 H SER 19 -0.330 -14.857 -10.810 114 HA SER 19 HA SER 19 -2.454 -13.789 -12.579 115 1HB SER 19 2HB SER 19 -2.033 -16.121 -12.768 116 2HB SER 19 1HB SER 19 -1.952 -16.332 -11.022 117 HG SER 19 HG SER 19 -3.954 -17.006 -11.542 118 H VAL 20 H VAL 20 -3.550 -12.114 -11.549 119 HA VAL 20 HA VAL 20 -4.217 -12.342 -8.671 120 HB VAL 20 HB VAL 20 -4.554 -10.204 -10.788 121 1HG1 VAL 20 1HG1 VAL 20 -5.050 -8.764 -8.715 122 2HG1 VAL 20 2HG1 VAL 20 -5.340 -10.284 -7.868 123 3HG1 VAL 20 3HG1 VAL 20 -6.339 -9.841 -9.255 124 1HG2 VAL 20 1HG2 VAL 20 -2.930 -9.155 -8.919 125 2HG2 VAL 20 2HG2 VAL 20 -2.314 -10.114 -10.264 126 3HG2 VAL 20 3HG2 VAL 20 -2.546 -10.860 -8.684 127 H SER 21 H SER 21 -6.499 -11.761 -8.049 128 HA SER 21 HA SER 21 -8.639 -12.169 -9.992 129 1HB SER 21 2HB SER 21 -9.313 -14.347 -9.245 130 2HB SER 21 1HB SER 21 -7.582 -14.449 -9.551 131 HG SER 21 HG SER 21 -7.543 -15.141 -7.559 132 H VAL 22 H VAL 22 -10.038 -10.655 -9.188 133 HA VAL 22 HA VAL 22 -10.329 -10.381 -6.241 134 HB VAL 22 HB VAL 22 -11.219 -8.570 -8.496 135 1HG1 VAL 22 1HG1 VAL 22 -11.906 -8.560 -5.820 136 2HG1 VAL 22 2HG1 VAL 22 -11.954 -7.155 -6.883 137 3HG1 VAL 22 3HG1 VAL 22 -10.540 -7.445 -5.867 138 1HG2 VAL 22 1HG2 VAL 22 -8.917 -8.506 -8.769 139 2HG2 VAL 22 2HG2 VAL 22 -8.604 -8.916 -7.084 140 3HG2 VAL 22 3HG2 VAL 22 -9.111 -7.283 -7.514 141 H SER 23 H SER 23 -12.477 -10.306 -5.350 142 HA SER 23 HA SER 23 -14.788 -10.871 -7.077 143 1HB SER 23 2HB SER 23 -13.538 -13.039 -6.747 144 2HB SER 23 1HB SER 23 -13.840 -12.889 -5.019 145 HG SER 23 HG SER 23 -15.574 -13.981 -5.636 146 H GLY 24 H GLY 24 -16.780 -10.605 -5.903 147 1HA GLY 24 2HA GLY 24 -18.057 -10.246 -3.877 148 2HA GLY 24 1HA GLY 24 -16.551 -9.891 -3.028 149 H ALA 25 H ALA 25 -16.415 -8.344 -5.971 150 HA ALA 25 HA ALA 25 -16.981 -5.740 -4.699 151 1HB ALA 25 1HB ALA 25 -15.108 -5.444 -5.954 152 2HB ALA 25 2HB ALA 25 -16.225 -5.297 -7.311 153 3HB ALA 25 3HB ALA 25 -15.460 -6.848 -6.964 154 H ALA 26 H ALA 26 -18.405 -7.930 -7.049 155 HA ALA 26 HA ALA 26 -20.582 -7.878 -8.004 156 1HB ALA 26 1HB ALA 26 -22.046 -6.801 -6.649 157 2HB ALA 26 2HB ALA 26 -21.351 -5.233 -7.063 158 3HB ALA 26 3HB ALA 26 -20.650 -6.192 -5.758 159 H ALA 27 H ALA 27 -21.106 -7.294 -10.072 160 HA ALA 27 HA ALA 27 -19.468 -5.672 -11.686 161 1HB ALA 27 1HB ALA 27 -22.372 -5.905 -12.310 162 2HB ALA 27 2HB ALA 27 -21.490 -7.412 -12.056 163 3HB ALA 27 3HB ALA 27 -20.976 -6.290 -13.316 164 H GLY 28 H GLY 28 -19.360 -3.478 -11.962 165 1HA GLY 28 2HA GLY 28 -20.688 -1.368 -12.265 166 2HA GLY 28 1HA GLY 28 -21.559 -1.837 -10.807 167 H GLU 29 H GLU 29 -18.401 -2.761 -10.388 168 HA GLU 29 HA GLU 29 -17.729 -0.170 -9.037 169 1HB GLU 29 2HB GLU 29 -17.631 -3.044 -8.210 170 2HB GLU 29 1HB GLU 29 -16.438 -1.937 -7.534 171 1HG GLU 29 2HG GLU 29 -18.393 -2.042 -6.062 172 2HG GLU 29 1HG GLU 29 -18.280 -0.439 -6.793 173 H THR 30 H THR 30 -15.572 0.502 -9.195 174 HA THR 30 HA THR 30 -13.830 -1.054 -11.081 175 HB THR 30 HB THR 30 -13.538 1.890 -10.602 176 HG1 THR 30 HG1 THR 30 -15.722 1.747 -10.909 177 1HG2 THR 30 1HG2 THR 30 -13.514 1.248 -13.329 178 2HG2 THR 30 2HG2 THR 30 -12.723 -0.116 -12.537 179 3HG2 THR 30 3HG2 THR 30 -12.107 1.519 -12.301 180 H TYR 31 H TYR 31 -11.434 -0.649 -10.633 181 HA TYR 31 HA TYR 31 -10.780 0.265 -7.900 182 1HB TYR 31 2HB TYR 31 -10.489 -2.610 -8.831 183 2HB TYR 31 1HB TYR 31 -9.826 -1.977 -7.323 184 HD1 TYR 31 HD1 TYR 31 -12.618 -3.566 -8.783 185 HD2 TYR 31 HD2 TYR 31 -11.566 -0.633 -5.827 186 HE1 TYR 31 HE1 TYR 31 -14.818 -3.884 -7.683 187 HE2 TYR 31 HE2 TYR 31 -13.765 -0.950 -4.728 188 HH TYR 31 HH TYR 31 -15.625 -3.428 -5.023 189 H TYR 32 H TYR 32 -8.859 1.330 -8.074 190 HA TYR 32 HA TYR 32 -7.159 0.965 -10.452 191 1HB TYR 32 2HB TYR 32 -7.105 2.751 -7.997 192 2HB TYR 32 1HB TYR 32 -5.900 2.845 -9.277 193 HD1 TYR 32 HD1 TYR 32 -6.279 4.269 -11.089 194 HD2 TYR 32 HD2 TYR 32 -9.623 2.850 -8.803 195 HE1 TYR 32 HE1 TYR 32 -7.798 5.717 -12.409 196 HE2 TYR 32 HE2 TYR 32 -11.143 4.295 -10.124 197 HH TYR 32 HH TYR 32 -9.921 6.228 -12.851 198 H ILE 33 H ILE 33 -5.909 -0.912 -10.309 199 HA ILE 33 HA ILE 33 -4.717 -1.697 -7.713 200 HB ILE 33 HB ILE 33 -5.809 -3.336 -9.196 201 1HG1 ILE 33 2HG1 ILE 33 -2.815 -3.792 -9.248 202 2HG1 ILE 33 1HG1 ILE 33 -3.777 -3.928 -7.775 203 1HG2 ILE 33 1HG2 ILE 33 -5.531 -3.206 -11.426 204 2HG2 ILE 33 2HG2 ILE 33 -3.808 -3.535 -11.242 205 3HG2 ILE 33 3HG2 ILE 33 -4.398 -1.874 -11.197 206 1HD1 ILE 33 1HD1 ILE 33 -3.989 -5.585 -10.293 207 2HD1 ILE 33 2HD1 ILE 33 -5.276 -5.545 -9.088 208 3HD1 ILE 33 3HD1 ILE 33 -3.675 -6.140 -8.648 209 H ALA 34 H ALA 34 -2.513 -1.592 -7.270 210 HA ALA 34 HA ALA 34 -0.517 -1.079 -9.342 211 1HB ALA 34 1HB ALA 34 -1.074 1.148 -7.370 212 2HB ALA 34 2HB ALA 34 -1.828 1.099 -8.964 213 3HB ALA 34 3HB ALA 34 -0.074 1.211 -8.822 214 H GLN 35 H GLN 35 1.677 -0.911 -8.371 215 HA GLN 35 HA GLN 35 1.820 -2.389 -5.800 216 1HB GLN 35 2HB GLN 35 3.035 -3.020 -7.948 217 2HB GLN 35 1HB GLN 35 4.028 -1.582 -7.709 218 1HG GLN 35 2HG GLN 35 5.130 -2.471 -5.895 219 2HG GLN 35 1HG GLN 35 3.734 -3.423 -5.383 220 1HE2 GLN 35 1HE2 GLN 35 6.752 -3.605 -6.995 221 2HE2 GLN 35 2HE2 GLN 35 6.563 -5.154 -7.664 222 H CYS 36 H CYS 36 2.411 -1.376 -3.922 223 HA CYS 36 HA CYS 36 3.681 1.342 -4.126 224 1HB CYS 36 2HB CYS 36 1.130 0.745 -3.311 225 2HB CYS 36 1HB CYS 36 1.999 0.754 -1.782 226 H ALA 37 H ALA 37 5.061 1.892 -2.309 227 HA ALA 37 HA ALA 37 5.743 -0.173 -0.321 228 1HB ALA 37 1HB ALA 37 7.755 -0.811 -1.250 229 2HB ALA 37 2HB ALA 37 8.023 0.765 -1.994 230 3HB ALA 37 3HB ALA 37 6.918 -0.388 -2.744 231 HA PRO 38 HA PRO 38 6.515 3.616 1.817 232 1HB PRO 38 2HB PRO 38 7.877 2.590 3.956 233 2HB PRO 38 1HB PRO 38 6.117 2.472 3.771 234 1HG PRO 38 2HG PRO 38 8.217 0.433 3.195 235 2HG PRO 38 1HG PRO 38 6.626 0.229 3.948 236 1HD PRO 38 2HD PRO 38 7.103 -0.407 1.354 237 2HD PRO 38 1HD PRO 38 5.522 0.180 1.923 238 H VAL 39 H VAL 39 8.373 4.953 2.509 239 HA VAL 39 HA VAL 39 11.068 3.998 1.701 240 HB VAL 39 HB VAL 39 10.075 6.572 0.525 241 1HG1 VAL 39 1HG1 VAL 39 12.492 5.611 0.480 242 2HG1 VAL 39 2HG1 VAL 39 11.815 6.241 -1.021 243 3HG1 VAL 39 3HG1 VAL 39 11.860 4.501 -0.736 244 1HG2 VAL 39 1HG2 VAL 39 8.330 5.001 -0.134 245 2HG2 VAL 39 2HG2 VAL 39 9.538 3.796 -0.587 246 3HG2 VAL 39 3HG2 VAL 39 9.380 5.283 -1.523 247 H GLY 40 H GLY 40 11.063 4.361 4.165 248 1HA GLY 40 2HA GLY 40 12.497 5.846 5.536 249 2HA GLY 40 1HA GLY 40 11.763 7.216 4.704 250 H GLY 41 H GLY 41 9.116 6.802 4.844 251 1HA GLY 41 2HA GLY 41 8.212 5.844 7.425 252 2HA GLY 41 1HA GLY 41 8.330 7.603 7.393 253 H GLN 42 H GLN 42 7.616 7.802 4.541 254 HA GLN 42 HA GLN 42 4.682 7.505 4.868 255 1HB GLN 42 2HB GLN 42 6.607 9.154 3.317 256 2HB GLN 42 1HB GLN 42 5.070 8.809 2.523 257 1HG GLN 42 2HG GLN 42 3.817 9.885 4.188 258 2HG GLN 42 1HG GLN 42 5.112 9.756 5.378 259 1HE2 GLN 42 1HE2 GLN 42 5.760 11.877 5.815 260 2HE2 GLN 42 2HE2 GLN 42 6.113 13.043 4.633 261 H ASP 43 H ASP 43 3.775 7.204 2.343 262 HA ASP 43 HA ASP 43 4.947 4.594 1.449 263 1HB ASP 43 2HB ASP 43 2.170 5.647 1.848 264 2HB ASP 43 1HB ASP 43 2.434 4.415 0.613 265 H ALA 44 H ALA 44 5.768 4.645 -0.588 266 HA ALA 44 HA ALA 44 4.900 6.829 -2.448 267 1HB ALA 44 1HB ALA 44 7.277 6.776 -1.659 268 2HB ALA 44 2HB ALA 44 7.145 6.566 -3.404 269 3HB ALA 44 3HB ALA 44 7.445 5.170 -2.367 270 H CYS 45 H CYS 45 3.661 6.098 -4.139 271 HA CYS 45 HA CYS 45 3.572 3.202 -4.736 272 1HB CYS 45 2HB CYS 45 1.874 5.567 -4.969 273 2HB CYS 45 1HB CYS 45 1.825 4.554 -6.413 274 H ASN 46 H ASN 46 3.352 2.672 -7.167 275 HA ASN 46 HA ASN 46 5.657 3.930 -8.580 276 1HB ASN 46 2HB ASN 46 5.449 1.445 -8.058 277 2HB ASN 46 1HB ASN 46 4.130 1.401 -9.231 278 1HD2 ASN 46 1HD2 ASN 46 6.205 -0.167 -9.968 279 2HD2 ASN 46 2HD2 ASN 46 7.163 0.564 -11.163 280 HA PRO 47 HA PRO 47 2.467 5.856 -11.089 281 1HB PRO 47 2HB PRO 47 4.179 7.457 -12.496 282 2HB PRO 47 1HB PRO 47 3.627 7.840 -10.861 283 1HG PRO 47 2HG PRO 47 6.213 6.688 -11.751 284 2HG PRO 47 1HG PRO 47 5.879 7.844 -10.454 285 1HD PRO 47 2HD PRO 47 6.359 5.178 -10.033 286 2HD PRO 47 1HD PRO 47 5.411 6.203 -8.933 287 H ALA 48 H ALA 48 5.072 3.832 -11.942 288 HA ALA 48 HA ALA 48 4.697 3.913 -14.838 289 1HB ALA 48 1HB ALA 48 6.013 1.554 -13.938 290 2HB ALA 48 2HB ALA 48 6.519 2.877 -12.890 291 3HB ALA 48 3HB ALA 48 6.745 2.998 -14.635 292 H THR 49 H THR 49 4.257 1.275 -12.469 293 HA THR 49 HA THR 49 2.344 -0.052 -14.290 294 HB THR 49 HB THR 49 2.500 -1.802 -12.461 295 HG1 THR 49 HG1 THR 49 3.102 -0.842 -10.665 296 1HG2 THR 49 1HG2 THR 49 4.022 -2.425 -14.022 297 2HG2 THR 49 2HG2 THR 49 5.211 -1.815 -12.872 298 3HG2 THR 49 3HG2 THR 49 4.651 -0.786 -14.191 299 H ALA 50 H ALA 50 0.668 1.674 -14.042 300 HA ALA 50 HA ALA 50 -0.953 1.239 -11.562 301 1HB ALA 50 1HB ALA 50 -1.113 3.539 -11.200 302 2HB ALA 50 2HB ALA 50 -0.789 3.925 -12.890 303 3HB ALA 50 3HB ALA 50 0.529 3.417 -11.835 304 H THR 51 H THR 51 -2.492 -0.047 -12.690 305 HA THR 51 HA THR 51 -3.955 1.350 -14.908 306 HB THR 51 HB THR 51 -2.657 -0.604 -15.643 307 HG1 THR 51 HG1 THR 51 -4.275 -1.359 -16.784 308 1HG2 THR 51 1HG2 THR 51 -4.129 -2.691 -14.342 309 2HG2 THR 51 2HG2 THR 51 -3.462 -1.616 -13.113 310 3HG2 THR 51 3HG2 THR 51 -2.394 -2.377 -14.292 311 H SER 52 H SER 52 -6.280 0.931 -14.964 312 HA SER 52 HA SER 52 -7.401 0.133 -12.295 313 1HB SER 52 2HB SER 52 -9.297 1.711 -13.343 314 2HB SER 52 1HB SER 52 -7.918 2.379 -12.475 315 HG SER 52 HG SER 52 -8.269 3.348 -14.548 316 H PHE 53 H PHE 53 -9.273 -1.220 -12.334 317 HA PHE 53 HA PHE 53 -10.278 -2.099 -15.006 318 1HB PHE 53 2HB PHE 53 -9.843 -4.424 -14.455 319 2HB PHE 53 1HB PHE 53 -8.345 -3.518 -14.242 320 HD1 PHE 53 HD1 PHE 53 -10.693 -5.713 -12.686 321 HD2 PHE 53 HD2 PHE 53 -7.861 -2.590 -11.855 322 HE1 PHE 53 HE1 PHE 53 -10.591 -6.435 -10.317 323 HE2 PHE 53 HE2 PHE 53 -7.760 -3.314 -9.486 324 HZ PHE 53 HZ PHE 53 -9.125 -5.236 -8.716 325 H THR 54 H THR 54 -12.342 -3.258 -14.852 326 HA THR 54 HA THR 54 -13.826 -2.665 -12.309 327 HB THR 54 HB THR 54 -14.793 -2.868 -15.184 328 HG1 THR 54 HG1 THR 54 -14.519 -0.770 -15.285 329 1HG2 THR 54 1HG2 THR 54 -16.833 -2.998 -14.246 330 2HG2 THR 54 2HG2 THR 54 -16.575 -1.371 -13.618 331 3HG2 THR 54 3HG2 THR 54 -16.164 -2.770 -12.634 332 H THR 55 H THR 55 -15.530 -4.266 -11.752 333 HA THR 55 HA THR 55 -14.653 -7.020 -12.135 334 HB THR 55 HB THR 55 -16.899 -7.349 -10.855 335 HG1 THR 55 HG1 THR 55 -17.998 -5.608 -10.470 336 1HG2 THR 55 1HG2 THR 55 -15.831 -6.341 -8.793 337 2HG2 THR 55 2HG2 THR 55 -14.558 -5.730 -9.841 338 3HG2 THR 55 3HG2 THR 55 -14.821 -7.469 -9.686 339 H ASP 56 H ASP 56 -16.634 -8.626 -12.588 340 HA ASP 56 HA ASP 56 -17.677 -7.876 -15.294 341 1HB ASP 56 2HB ASP 56 -16.192 -10.003 -14.444 342 2HB ASP 56 1HB ASP 56 -17.819 -10.664 -14.289 343 H ALA 57 H ALA 57 -19.723 -9.815 -15.422 344 HA ALA 57 HA ALA 57 -21.891 -8.474 -14.113 345 1HB ALA 57 1HB ALA 57 -22.504 -11.198 -14.824 346 2HB ALA 57 2HB ALA 57 -21.444 -10.495 -16.047 347 3HB ALA 57 3HB ALA 57 -22.977 -9.715 -15.654 348 H SER 58 H SER 58 -19.901 -11.224 -13.201 349 HA SER 58 HA SER 58 -21.644 -11.858 -10.892 350 1HB SER 58 2HB SER 58 -19.713 -13.177 -12.562 351 2HB SER 58 1HB SER 58 -19.190 -13.304 -10.885 352 HG SER 58 HG SER 58 -21.726 -14.005 -11.970 353 H GLY 59 H GLY 59 -19.758 -9.362 -11.349 354 1HA GLY 59 2HA GLY 59 -18.419 -8.008 -9.974 355 2HA GLY 59 1HA GLY 59 -19.153 -8.872 -8.624 356 H ALA 60 H ALA 60 -17.430 -10.720 -11.000 357 HA ALA 60 HA ALA 60 -15.088 -10.907 -9.138 358 1HB ALA 60 1HB ALA 60 -15.860 -12.984 -8.680 359 2HB ALA 60 2HB ALA 60 -15.447 -13.410 -10.339 360 3HB ALA 60 3HB ALA 60 -17.079 -12.872 -9.948 361 H ALA 61 H ALA 61 -13.198 -10.518 -10.220 362 HA ALA 61 HA ALA 61 -13.120 -11.096 -13.162 363 1HB ALA 61 1HB ALA 61 -13.236 -8.776 -13.106 364 2HB ALA 61 2HB ALA 61 -11.490 -9.007 -13.015 365 3HB ALA 61 3HB ALA 61 -12.413 -8.672 -11.550 366 H SER 62 H SER 62 -11.034 -11.691 -13.969 367 HA SER 62 HA SER 62 -8.889 -12.217 -11.968 368 1HB SER 62 2HB SER 62 -10.686 -14.130 -13.227 369 2HB SER 62 1HB SER 62 -9.005 -14.493 -13.601 370 HG SER 62 HG SER 62 -10.004 -13.955 -10.996 371 H PHE 63 H PHE 63 -6.867 -11.819 -12.892 372 HA PHE 63 HA PHE 63 -6.472 -12.106 -15.778 373 1HB PHE 63 2HB PHE 63 -6.051 -9.672 -16.104 374 2HB PHE 63 1HB PHE 63 -7.714 -9.999 -15.625 375 HD1 PHE 63 HD1 PHE 63 -4.634 -8.328 -14.761 376 HD2 PHE 63 HD2 PHE 63 -8.362 -9.755 -13.174 377 HE1 PHE 63 HE1 PHE 63 -4.344 -6.871 -12.777 378 HE2 PHE 63 HE2 PHE 63 -8.072 -8.296 -11.189 379 HZ PHE 63 HZ PHE 63 -6.064 -6.854 -10.991 380 H SER 64 H SER 64 -4.201 -11.149 -16.344 381 HA SER 64 HA SER 64 -2.332 -11.973 -14.176 382 1HB SER 64 2HB SER 64 -0.753 -12.145 -16.079 383 2HB SER 64 1HB SER 64 -2.230 -13.051 -16.396 384 HG SER 64 HG SER 64 -1.275 -11.403 -18.011 385 H PHE 65 H PHE 65 -1.316 -10.368 -13.036 386 HA PHE 65 HA PHE 65 -1.145 -7.650 -14.238 387 1HB PHE 65 2HB PHE 65 -2.433 -7.741 -12.200 388 2HB PHE 65 1HB PHE 65 -1.187 -8.698 -11.398 389 HD1 PHE 65 HD1 PHE 65 0.387 -7.606 -10.067 390 HD2 PHE 65 HD2 PHE 65 -1.607 -5.426 -13.184 391 HE1 PHE 65 HE1 PHE 65 1.524 -5.528 -9.341 392 HE2 PHE 65 HE2 PHE 65 -0.469 -3.346 -12.456 393 HZ PHE 65 HZ PHE 65 1.099 -3.398 -10.534 394 H VAL 66 H VAL 66 0.892 -6.787 -14.581 395 HA VAL 66 HA VAL 66 3.224 -8.521 -14.108 396 HB VAL 66 HB VAL 66 3.053 -5.717 -15.234 397 1HG1 VAL 66 1HG1 VAL 66 5.093 -6.390 -16.436 398 2HG1 VAL 66 2HG1 VAL 66 5.021 -7.981 -15.680 399 3HG1 VAL 66 3HG1 VAL 66 5.320 -6.550 -14.693 400 1HG2 VAL 66 1HG2 VAL 66 1.834 -6.601 -16.915 401 2HG2 VAL 66 2HG2 VAL 66 1.997 -8.224 -16.248 402 3HG2 VAL 66 3HG2 VAL 66 3.238 -7.586 -17.325 403 H VAL 67 H VAL 67 5.183 -7.589 -13.068 404 HA VAL 67 HA VAL 67 4.588 -5.503 -11.007 405 HB VAL 67 HB VAL 67 5.920 -7.072 -9.448 406 1HG1 VAL 67 1HG1 VAL 67 3.684 -8.692 -9.609 407 2HG1 VAL 67 2HG1 VAL 67 3.136 -7.200 -10.373 408 3HG1 VAL 67 3HG1 VAL 67 3.772 -7.167 -8.729 409 1HG2 VAL 67 1HG2 VAL 67 4.981 -9.307 -11.185 410 2HG2 VAL 67 2HG2 VAL 67 6.377 -9.231 -10.110 411 3HG2 VAL 67 3HG2 VAL 67 6.443 -8.465 -11.697 412 H ARG 68 H ARG 68 6.833 -4.983 -9.857 413 HA ARG 68 HA ARG 68 9.125 -5.237 -11.729 414 1HB ARG 68 2HB ARG 68 7.396 -2.924 -11.406 415 2HB ARG 68 1HB ARG 68 9.069 -2.528 -11.012 416 1HG ARG 68 2HG ARG 68 9.590 -2.504 -13.196 417 2HG ARG 68 1HG ARG 68 9.069 -4.184 -13.344 418 1HD ARG 68 2HD ARG 68 6.643 -2.999 -13.300 419 2HD ARG 68 1HD ARG 68 7.596 -1.690 -14.028 420 HE ARG 68 HE ARG 68 6.964 -4.188 -15.319 421 1HH1 ARG 68 1HH1 ARG 68 7.714 -1.683 -16.772 422 2HH1 ARG 68 2HH1 ARG 68 9.268 -2.087 -17.420 423 1HH2 ARG 68 1HH2 ARG 68 9.737 -4.800 -15.313 424 2HH2 ARG 68 2HH2 ARG 68 10.413 -3.852 -16.596 425 H LYS 69 H LYS 69 10.300 -6.327 -10.106 426 HA LYS 69 HA LYS 69 10.499 -5.980 -7.398 427 1HB LYS 69 2HB LYS 69 11.796 -7.527 -8.877 428 2HB LYS 69 1HB LYS 69 12.836 -6.174 -9.321 429 1HG LYS 69 2HG LYS 69 13.638 -5.935 -7.083 430 2HG LYS 69 1HG LYS 69 12.398 -7.019 -6.454 431 1HD LYS 69 2HD LYS 69 14.400 -8.320 -6.560 432 2HD LYS 69 1HD LYS 69 13.422 -8.829 -7.938 433 1HE LYS 69 2HE LYS 69 14.774 -6.822 -9.124 434 2HE LYS 69 1HE LYS 69 15.975 -7.294 -7.904 435 1HZ LYS 69 1HZ LYS 69 15.980 -8.598 -10.070 436 2HZ LYS 69 2HZ LYS 69 14.529 -9.299 -9.530 437 3HZ LYS 69 3HZ LYS 69 15.959 -9.500 -8.635 438 H SER 70 H SER 70 11.794 -3.749 -9.844 439 HA SER 70 HA SER 70 12.520 -1.868 -7.616 440 1HB SER 70 2HB SER 70 14.318 -1.107 -9.197 441 2HB SER 70 1HB SER 70 14.498 -2.785 -8.692 442 HG SER 70 HG SER 70 13.718 -3.446 -10.641 443 H TYR 71 H TYR 71 11.885 0.287 -7.899 444 HA TYR 71 HA TYR 71 11.011 1.427 -10.394 445 1HB TYR 71 2HB TYR 71 8.655 1.204 -10.209 446 2HB TYR 71 1HB TYR 71 9.263 -0.389 -9.768 447 HD1 TYR 71 HD1 TYR 71 7.932 2.808 -8.422 448 HD2 TYR 71 HD2 TYR 71 8.995 -1.261 -7.543 449 HE1 TYR 71 HE1 TYR 71 6.794 2.986 -6.224 450 HE2 TYR 71 HE2 TYR 71 7.859 -1.083 -5.342 451 HH TYR 71 HH TYR 71 5.681 0.859 -4.546 452 H THR 72 H THR 72 11.117 3.634 -10.089 453 HA THR 72 HA THR 72 11.842 4.799 -7.621 454 HB THR 72 HB THR 72 10.335 6.367 -9.654 455 HG1 THR 72 HG1 THR 72 12.899 5.260 -10.109 456 1HG2 THR 72 1HG2 THR 72 12.936 6.687 -8.144 457 2HG2 THR 72 2HG2 THR 72 11.441 7.590 -7.897 458 3HG2 THR 72 3HG2 THR 72 12.379 7.824 -9.371 459 H GLY 73 H GLY 73 10.626 5.221 -5.811 460 1HA GLY 73 2HA GLY 73 7.754 4.767 -5.831 461 2HA GLY 73 1HA GLY 73 8.706 5.306 -4.446 462 H SER 74 H SER 74 6.147 6.403 -5.361 463 HA SER 74 HA SER 74 6.830 9.230 -5.246 464 1HB SER 74 2HB SER 74 6.094 7.871 -7.832 465 2HB SER 74 1HB SER 74 5.717 9.574 -7.586 466 HG SER 74 HG SER 74 7.780 9.275 -8.537 467 H THR 75 H THR 75 4.952 10.478 -4.781 468 HA THR 75 HA THR 75 2.650 9.071 -3.756 469 HB THR 75 HB THR 75 1.827 11.438 -3.476 470 HG1 THR 75 HG1 THR 75 2.853 13.023 -4.439 471 1HG2 THR 75 1HG2 THR 75 3.991 10.124 -2.270 472 2HG2 THR 75 2HG2 THR 75 3.094 11.494 -1.615 473 3HG2 THR 75 3HG2 THR 75 4.559 11.770 -2.557 474 HA PRO 76 HA PRO 76 0.074 8.663 -7.305 475 1HB PRO 76 2HB PRO 76 -2.387 9.056 -6.169 476 2HB PRO 76 1HB PRO 76 -1.442 7.563 -5.977 477 1HG PRO 76 2HG PRO 76 -1.661 9.907 -4.130 478 2HG PRO 76 1HG PRO 76 -1.725 8.173 -3.758 479 1HD PRO 76 2HD PRO 76 0.510 9.578 -3.350 480 2HD PRO 76 1HD PRO 76 0.577 7.906 -3.951 481 H GLU 77 H GLU 77 0.431 11.622 -5.653 482 HA GLU 77 HA GLU 77 -0.220 13.219 -7.946 483 1HB GLU 77 2HB GLU 77 -2.433 12.182 -6.646 484 2HB GLU 77 1HB GLU 77 -2.306 13.807 -5.971 485 1HG GLU 77 2HG GLU 77 -2.294 14.782 -8.204 486 2HG GLU 77 1HG GLU 77 -2.281 13.177 -8.935 487 H GLY 78 H GLY 78 1.856 14.023 -7.028 488 1HA GLY 78 2HA GLY 78 1.555 16.458 -5.590 489 2HA GLY 78 1HA GLY 78 2.093 15.214 -4.459 490 H THR 79 H THR 79 4.232 14.592 -4.498 491 HA THR 79 HA THR 79 5.930 15.559 -6.758 492 HB THR 79 HB THR 79 7.523 15.970 -4.613 493 HG1 THR 79 HG1 THR 79 6.419 16.354 -2.853 494 1HG2 THR 79 1HG2 THR 79 6.835 17.584 -6.426 495 2HG2 THR 79 2HG2 THR 79 7.009 18.314 -4.831 496 3HG2 THR 79 3HG2 THR 79 5.404 17.953 -5.464 497 HA PRO 80 HA PRO 80 7.973 11.694 -6.409 498 1HB PRO 80 2HB PRO 80 10.630 12.335 -6.585 499 2HB PRO 80 1HB PRO 80 9.521 12.421 -7.970 500 1HG PRO 80 2HG PRO 80 10.534 14.611 -6.220 501 2HG PRO 80 1HG PRO 80 10.256 14.600 -7.970 502 1HD PRO 80 2HD PRO 80 8.534 15.744 -6.187 503 2HD PRO 80 1HD PRO 80 8.022 15.075 -7.752 504 H VAL 81 H VAL 81 8.351 10.425 -4.624 505 HA VAL 81 HA VAL 81 9.246 11.727 -2.123 506 HB VAL 81 HB VAL 81 8.254 8.932 -2.672 507 1HG1 VAL 81 1HG1 VAL 81 8.932 10.514 -0.249 508 2HG1 VAL 81 2HG1 VAL 81 8.998 8.771 -0.507 509 3HG1 VAL 81 3HG1 VAL 81 7.456 9.553 -0.164 510 1HG2 VAL 81 1HG2 VAL 81 6.217 10.405 -1.472 511 2HG2 VAL 81 2HG2 VAL 81 6.290 9.938 -3.171 512 3HG2 VAL 81 3HG2 VAL 81 6.891 11.516 -2.664 513 H GLY 82 H GLY 82 10.218 9.063 -4.278 514 1HA GLY 82 2HA GLY 82 12.966 9.318 -4.007 515 2HA GLY 82 1HA GLY 82 12.498 8.331 -2.623 516 H SER 83 H SER 83 13.874 6.675 -3.762 517 HA SER 83 HA SER 83 12.439 5.382 -6.030 518 1HB SER 83 2HB SER 83 14.629 4.397 -6.512 519 2HB SER 83 1HB SER 83 14.758 6.148 -6.386 520 HG SER 83 HG SER 83 16.352 5.419 -5.104 521 H VAL 84 H VAL 84 11.888 3.174 -5.886 522 HA VAL 84 HA VAL 84 12.122 1.972 -3.147 523 HB VAL 84 HB VAL 84 10.106 1.839 -5.386 524 1HG1 VAL 84 1HG1 VAL 84 10.664 -0.222 -3.271 525 2HG1 VAL 84 2HG1 VAL 84 10.236 -0.459 -4.965 526 3HG1 VAL 84 3HG1 VAL 84 9.006 0.054 -3.809 527 1HG2 VAL 84 1HG2 VAL 84 8.585 2.169 -3.355 528 2HG2 VAL 84 2HG2 VAL 84 9.647 3.519 -3.757 529 3HG2 VAL 84 3HG2 VAL 84 10.060 2.439 -2.426 530 H ASP 85 H ASP 85 12.674 -0.295 -3.036 531 HA ASP 85 HA ASP 85 13.607 -1.602 -5.533 532 1HB ASP 85 2HB ASP 85 15.853 -1.936 -4.524 533 2HB ASP 85 1HB ASP 85 15.476 -0.222 -4.709 534 H CYS 86 H CYS 86 11.740 -2.988 -4.868 535 HA CYS 86 HA CYS 86 11.312 -4.367 -2.506 536 1HB CYS 86 2HB CYS 86 11.274 -5.447 -5.343 537 2HB CYS 86 1HB CYS 86 10.408 -6.148 -3.978 538 H ALA 87 H ALA 87 14.020 -4.760 -4.679 539 HA ALA 87 HA ALA 87 14.939 -7.341 -4.154 540 1HB ALA 87 1HB ALA 87 16.571 -6.446 -5.434 541 2HB ALA 87 2HB ALA 87 17.136 -5.519 -4.044 542 3HB ALA 87 3HB ALA 87 15.925 -4.834 -5.126 543 H THR 88 H THR 88 15.613 -4.409 -2.264 544 HA THR 88 HA THR 88 16.333 -6.165 0.052 545 HB THR 88 HB THR 88 18.219 -4.913 -0.790 546 HG1 THR 88 HG1 THR 88 18.363 -4.748 1.334 547 1HG2 THR 88 1HG2 THR 88 17.691 -2.238 -0.590 548 2HG2 THR 88 2HG2 THR 88 16.141 -2.853 -1.165 549 3HG2 THR 88 3HG2 THR 88 17.610 -3.155 -2.095 550 H ALA 89 H ALA 89 13.840 -4.362 -1.088 551 HA ALA 89 HA ALA 89 13.196 -3.154 1.571 552 1HB ALA 89 1HB ALA 89 12.458 -2.539 -1.283 553 2HB ALA 89 2HB ALA 89 13.277 -1.498 -0.118 554 3HB ALA 89 3HB ALA 89 11.558 -1.847 0.068 555 H ALA 90 H ALA 90 10.646 -2.945 1.719 556 HA ALA 90 HA ALA 90 9.493 -5.674 1.238 557 1HB ALA 90 1HB ALA 90 9.333 -3.630 3.445 558 2HB ALA 90 2HB ALA 90 9.692 -5.352 3.560 559 3HB ALA 90 3HB ALA 90 8.040 -4.815 3.253 560 H CYS 91 H CYS 91 8.372 -5.287 -0.712 561 HA CYS 91 HA CYS 91 6.678 -2.859 -0.958 562 1HB CYS 91 2HB CYS 91 7.174 -5.153 -2.873 563 2HB CYS 91 1HB CYS 91 6.541 -3.557 -3.275 564 H ASN 92 H ASN 92 4.421 -3.212 -1.839 565 HA ASN 92 HA ASN 92 3.122 -5.779 -1.162 566 1HB ASN 92 2HB ASN 92 1.723 -4.801 0.540 567 2HB ASN 92 1HB ASN 92 3.386 -4.394 0.944 568 1HD2 ASN 92 1HD2 ASN 92 0.526 -3.026 -0.775 569 2HD2 ASN 92 2HD2 ASN 92 0.900 -1.409 -0.417 570 H LEU 93 H LEU 93 1.313 -6.044 -2.471 571 HA LEU 93 HA LEU 93 0.675 -3.890 -4.385 572 1HB LEU 93 2HB LEU 93 0.977 -6.125 -5.220 573 2HB LEU 93 1HB LEU 93 -0.143 -6.779 -4.022 574 HG LEU 93 HG LEU 93 -1.968 -5.429 -5.038 575 1HD1 LEU 93 1HD1 LEU 93 -1.577 -4.337 -7.199 576 2HD1 LEU 93 2HD1 LEU 93 0.115 -4.833 -7.167 577 3HD1 LEU 93 3HD1 LEU 93 -0.486 -3.669 -5.987 578 1HD2 LEU 93 1HD2 LEU 93 -2.057 -7.596 -5.862 579 2HD2 LEU 93 2HD2 LEU 93 -0.431 -7.515 -6.543 580 3HD2 LEU 93 3HD2 LEU 93 -1.773 -6.721 -7.366 581 H GLY 94 H GLY 94 -1.389 -2.899 -4.533 582 1HA GLY 94 2HA GLY 94 -3.401 -3.652 -2.468 583 2HA GLY 94 1HA GLY 94 -2.862 -1.974 -2.553 584 H ALA 95 H ALA 95 -5.487 -3.534 -3.236 585 HA ALA 95 HA ALA 95 -5.878 -2.256 -5.930 586 1HB ALA 95 1HB ALA 95 -6.976 -4.168 -6.622 587 2HB ALA 95 2HB ALA 95 -7.594 -4.517 -5.007 588 3HB ALA 95 3HB ALA 95 -5.922 -4.903 -5.413 589 H GLY 96 H GLY 96 -7.071 -0.415 -5.542 590 1HA GLY 96 2HA GLY 96 -9.662 -0.686 -4.191 591 2HA GLY 96 1HA GLY 96 -8.520 0.376 -3.366 592 H ASN 97 H ASN 97 -11.070 1.053 -4.732 593 HA ASN 97 HA ASN 97 -10.111 2.714 -7.002 594 1HB ASN 97 2HB ASN 97 -12.275 1.081 -6.649 595 2HB ASN 97 1HB ASN 97 -12.964 2.657 -6.268 596 1HD2 ASN 97 1HD2 ASN 97 -13.683 3.817 -8.052 597 2HD2 ASN 97 2HD2 ASN 97 -13.132 3.597 -9.643 598 H SER 98 H SER 98 -12.193 4.654 -6.800 599 HA SER 98 HA SER 98 -11.062 6.365 -4.674 600 1HB SER 98 2HB SER 98 -12.187 8.113 -5.900 601 2HB SER 98 1HB SER 98 -11.467 7.031 -7.089 602 HG SER 98 HG SER 98 -13.578 5.963 -7.096 603 H GLY 99 H GLY 99 -12.610 4.188 -3.624 604 1HA GLY 99 2HA GLY 99 -14.406 5.569 -1.893 605 2HA GLY 99 1HA GLY 99 -15.350 4.807 -3.173 606 H LEU 100 H LEU 100 -14.950 2.414 -3.483 607 HA LEU 100 HA LEU 100 -14.919 1.087 -0.849 608 1HB LEU 100 2HB LEU 100 -16.596 0.595 -2.612 609 2HB LEU 100 1HB LEU 100 -15.300 0.038 -3.671 610 HG LEU 100 HG LEU 100 -15.501 -1.174 -0.941 611 1HD1 LEU 100 1HD1 LEU 100 -17.056 -2.480 -3.115 612 2HD1 LEU 100 2HD1 LEU 100 -17.795 -1.071 -2.355 613 3HD1 LEU 100 3HD1 LEU 100 -17.348 -2.468 -1.376 614 1HD2 LEU 100 1HD2 LEU 100 -13.649 -1.835 -2.364 615 2HD2 LEU 100 2HD2 LEU 100 -14.741 -2.158 -3.705 616 3HD2 LEU 100 3HD2 LEU 100 -14.775 -3.184 -2.274 617 H ASP 101 H ASP 101 -13.412 -0.493 -0.220 618 HA ASP 101 HA ASP 101 -10.868 -0.551 -1.803 619 1HB ASP 101 2HB ASP 101 -10.848 0.464 0.479 620 2HB ASP 101 1HB ASP 101 -11.416 -1.070 1.140 621 H LEU 102 H LEU 102 -9.742 -2.681 -1.816 622 HA LEU 102 HA LEU 102 -11.672 -4.951 -1.596 623 1HB LEU 102 2HB LEU 102 -9.621 -4.094 -3.551 624 2HB LEU 102 1HB LEU 102 -9.706 -5.827 -3.248 625 HG LEU 102 HG LEU 102 -12.213 -4.243 -3.765 626 1HD1 LEU 102 1HD1 LEU 102 -11.962 -4.965 -6.172 627 2HD1 LEU 102 2HD1 LEU 102 -10.294 -5.402 -5.806 628 3HD1 LEU 102 3HD1 LEU 102 -10.816 -3.722 -5.669 629 1HD2 LEU 102 1HD2 LEU 102 -11.374 -7.131 -4.168 630 2HD2 LEU 102 2HD2 LEU 102 -12.950 -6.477 -4.607 631 3HD2 LEU 102 3HD2 LEU 102 -12.455 -6.521 -2.916 632 H GLY 103 H GLY 103 -8.233 -5.360 -2.105 633 1HA GLY 103 2HA GLY 103 -7.846 -6.109 0.739 634 2HA GLY 103 1HA GLY 103 -7.567 -7.347 -0.483 635 H HIS 104 H HIS 104 -5.474 -6.734 1.081 636 HA HIS 104 HA HIS 104 -3.687 -5.103 -0.693 637 1HB HIS 104 2HB HIS 104 -4.184 -3.862 1.318 638 2HB HIS 104 1HB HIS 104 -3.931 -5.286 2.323 639 HD1 HIS 104 HD1 HIS 104 -2.260 -2.304 1.372 640 HD2 HIS 104 HD2 HIS 104 -1.029 -6.253 1.872 641 HE1 HIS 104 HE1 HIS 104 0.251 -2.237 1.705 642 H VAL 105 H VAL 105 -2.543 -6.772 -1.708 643 HA VAL 105 HA VAL 105 -1.718 -9.168 -0.187 644 HB VAL 105 HB VAL 105 -1.229 -8.258 -3.043 645 1HG1 VAL 105 1HG1 VAL 105 0.290 -10.062 -2.020 646 2HG1 VAL 105 2HG1 VAL 105 -0.556 -10.492 -3.505 647 3HG1 VAL 105 3HG1 VAL 105 -1.150 -11.076 -1.952 648 1HG2 VAL 105 1HG2 VAL 105 -3.072 -9.993 -3.468 649 2HG2 VAL 105 2HG2 VAL 105 -3.588 -8.472 -2.743 650 3HG2 VAL 105 3HG2 VAL 105 -3.404 -9.909 -1.738 651 H ALA 106 H ALA 106 0.587 -9.818 -0.148 652 HA ALA 106 HA ALA 106 2.409 -7.441 -0.030 653 1HB ALA 106 1HB ALA 106 3.652 -9.184 1.521 654 2HB ALA 106 2HB ALA 106 2.066 -9.954 1.576 655 3HB ALA 106 3HB ALA 106 2.260 -8.294 2.138 656 H LEU 107 H LEU 107 4.596 -7.787 -0.817 657 HA LEU 107 HA LEU 107 4.898 -10.187 -2.604 658 1HB LEU 107 2HB LEU 107 5.854 -7.355 -3.159 659 2HB LEU 107 1HB LEU 107 5.748 -8.693 -4.299 660 HG LEU 107 HG LEU 107 3.320 -7.567 -2.889 661 1HD1 LEU 107 1HD1 LEU 107 4.645 -5.918 -4.398 662 2HD1 LEU 107 2HD1 LEU 107 2.920 -6.117 -4.705 663 3HD1 LEU 107 3HD1 LEU 107 4.098 -6.932 -5.733 664 1HD2 LEU 107 1HD2 LEU 107 2.083 -8.877 -4.389 665 2HD2 LEU 107 2HD2 LEU 107 3.465 -9.918 -4.043 666 3HD2 LEU 107 3HD2 LEU 107 3.414 -8.987 -5.540 667 H THR 108 H THR 108 7.266 -10.613 -3.108 668 HA THR 108 HA THR 108 9.282 -9.367 -1.382 669 HB THR 108 HB THR 108 8.306 -12.189 -0.944 670 HG1 THR 108 HG1 THR 108 7.328 -11.363 0.710 671 1HG2 THR 108 1HG2 THR 108 10.866 -11.688 -0.843 672 2HG2 THR 108 2HG2 THR 108 10.116 -12.566 0.489 673 3HG2 THR 108 3HG2 THR 108 10.464 -10.845 0.653 674 H PHE 109 H PHE 109 10.669 -9.081 -3.122 675 HA PHE 109 HA PHE 109 11.122 -11.223 -5.082 676 1HB PHE 109 2HB PHE 109 12.272 -8.464 -4.583 677 2HB PHE 109 1HB PHE 109 12.759 -9.480 -5.940 678 HD1 PHE 109 HD1 PHE 109 9.787 -7.873 -4.337 679 HD2 PHE 109 HD2 PHE 109 11.451 -9.600 -7.900 680 HE1 PHE 109 HE1 PHE 109 7.818 -7.095 -5.639 681 HE2 PHE 109 HE2 PHE 109 9.486 -8.828 -9.200 682 HZ PHE 109 HZ PHE 109 7.669 -7.576 -8.073 683 H GLY 110 H GLY 110 12.105 -12.927 -3.835 684 1HA GLY 110 2HA GLY 110 14.020 -14.091 -3.101 685 2HA GLY 110 1HA GLY 110 14.971 -12.649 -3.460 686 2H2' ROM 111 2H2' ROM 111 -9.301 5.886 -8.223 687 2H3' ROM 111 2H3' ROM 111 -6.621 7.571 -10.877 688 H'1 ROM 111 H'1 ROM 111 -3.343 4.944 -10.246 689 3H18 ROM 111 3H18 ROM 111 -4.807 1.116 -0.045 690 2H18 ROM 111 2H18 ROM 111 -3.599 1.740 0.972 691 2H23 ROM 111 2H23 ROM 111 -6.493 7.506 -1.672 692 H1' ROM 111 H1' ROM 111 -7.010 7.535 -7.440 693 H2' ROM 111 H2' ROM 111 -9.753 8.068 -8.595 694 H3' ROM 111 H3' ROM 111 -8.590 8.229 -10.735 695 H4' ROM 111 H4' ROM 111 -8.966 10.250 -9.410 696 1H6B ROM 111 1H6B ROM 111 -6.406 11.814 -7.199 697 3H6B ROM 111 3H6B ROM 111 -7.153 12.151 -8.761 698 2H6B ROM 111 2H6B ROM 111 -8.163 11.836 -7.351 699 1H6A ROM 111 1H6A ROM 111 -5.197 10.029 -7.478 700 3H6A ROM 111 3H6A ROM 111 -5.720 8.560 -8.295 701 2H6A ROM 111 2H6A ROM 111 -5.361 10.008 -9.232 702 1H4B ROM 111 1H4B ROM 111 -5.696 9.442 -10.951 703 3H4B ROM 111 3H4B ROM 111 -7.130 9.073 -11.923 704 2H4B ROM 111 2H4B ROM 111 -6.141 10.493 -12.307 705 1H4A ROM 111 1H4A ROM 111 -8.924 10.671 -11.949 706 3H4A ROM 111 3H4A ROM 111 -9.019 11.893 -10.667 707 2H4A ROM 111 2H4A ROM 111 -7.885 12.105 -12.014 708 H'8 ROM 111 H'8 ROM 111 0.101 5.704 -7.165 709 H'6 ROM 111 H'6 ROM 111 1.245 7.711 -10.755 710 1H3A ROM 111 1H3A ROM 111 -1.642 7.284 -14.696 711 2H3A ROM 111 2H3A ROM 111 -3.361 7.585 -14.075 712 1H7A ROM 111 1H7A ROM 111 3.139 8.801 -8.037 713 3H7A ROM 111 3H7A ROM 111 2.497 8.549 -9.653 714 2H7A ROM 111 2H7A ROM 111 1.438 9.085 -8.367 715 H3 ROM 111 H3 ROM 111 -3.866 6.325 -6.120 716 H6 ROM 111 H6 ROM 111 -7.133 2.969 -4.580 717 H5 ROM 111 H5 ROM 111 -4.845 2.239 -5.209 718 H12 ROM 111 H12 ROM 111 -4.838 8.611 -5.008 719 H8 ROM 111 H8 ROM 111 -8.866 5.202 -5.157 720 H13 ROM 111 H13 ROM 111 -2.824 2.886 -6.632 721 H10 ROM 111 H10 ROM 111 -8.819 8.456 -3.564 722 H11 ROM 111 H11 ROM 111 -6.557 9.769 -3.472 723 2H14 ROM 111 2H14 ROM 111 -1.356 2.664 -4.907 724 1H14 ROM 111 1H14 ROM 111 -1.345 4.397 -4.556 725 2H17 ROM 111 2H17 ROM 111 -4.039 1.539 -2.369 726 1H17 ROM 111 1H17 ROM 111 -2.753 1.211 -1.207 727 H18 ROM 111 H18 ROM 111 -3.275 3.610 -0.323 728 H20 ROM 111 H20 ROM 111 -6.357 1.902 -1.462 729 H24 ROM 111 H24 ROM 111 -4.183 5.563 -1.306 730 4H18 ROM 111 4H18 ROM 111 -5.144 2.448 0.955 Start of MODEL 26 1 1H ALA 1 1H ALA 1 -17.051 -5.608 4.151 2 2H ALA 1 2H ALA 1 -16.160 -7.053 4.097 3 3H ALA 1 3H ALA 1 -17.725 -6.996 3.440 4 HA ALA 1 HA ALA 1 -16.986 -5.463 1.718 5 1HB ALA 1 1HB ALA 1 -14.278 -5.399 1.865 6 2HB ALA 1 2HB ALA 1 -14.674 -5.506 3.580 7 3HB ALA 1 3HB ALA 1 -15.308 -4.178 2.609 8 HA PRO 2 HA PRO 2 -15.888 -8.977 -0.647 9 1HB PRO 2 2HB PRO 2 -14.395 -7.924 -2.683 10 2HB PRO 2 1HB PRO 2 -16.149 -7.692 -2.549 11 1HG PRO 2 2HG PRO 2 -13.938 -5.831 -1.831 12 2HG PRO 2 1HG PRO 2 -15.510 -5.488 -2.571 13 1HD PRO 2 2HD PRO 2 -14.959 -5.060 0.072 14 2HD PRO 2 1HD PRO 2 -16.587 -5.400 -0.554 15 H ALA 3 H ALA 3 -13.680 -9.779 -1.988 16 HA ALA 3 HA ALA 3 -11.443 -9.596 0.005 17 1HB ALA 3 1HB ALA 3 -11.078 -12.030 -0.965 18 2HB ALA 3 2HB ALA 3 -12.779 -11.880 -1.409 19 3HB ALA 3 3HB ALA 3 -12.293 -11.750 0.282 20 H PHE 4 H PHE 4 -9.383 -10.646 -1.205 21 HA PHE 4 HA PHE 4 -9.156 -10.152 -4.058 22 1HB PHE 4 2HB PHE 4 -9.327 -7.846 -3.366 23 2HB PHE 4 1HB PHE 4 -8.202 -8.103 -2.034 24 HD1 PHE 4 HD1 PHE 4 -5.794 -8.898 -2.664 25 HD2 PHE 4 HD2 PHE 4 -8.533 -7.098 -5.440 26 HE1 PHE 4 HE1 PHE 4 -3.905 -8.321 -4.167 27 HE2 PHE 4 HE2 PHE 4 -6.645 -6.524 -6.937 28 HZ PHE 4 HZ PHE 4 -4.332 -7.135 -6.301 29 H SER 5 H SER 5 -7.534 -11.591 -4.642 30 HA SER 5 HA SER 5 -5.118 -11.777 -2.888 31 1HB SER 5 2HB SER 5 -6.680 -14.192 -3.826 32 2HB SER 5 1HB SER 5 -5.357 -14.158 -2.664 33 HG SER 5 HG SER 5 -7.873 -14.025 -2.111 34 H VAL 6 H VAL 6 -3.294 -12.696 -3.974 35 HA VAL 6 HA VAL 6 -3.509 -12.707 -6.970 36 HB VAL 6 HB VAL 6 -2.211 -10.864 -5.912 37 1HG1 VAL 6 1HG1 VAL 6 -0.637 -13.189 -4.757 38 2HG1 VAL 6 2HG1 VAL 6 -1.558 -11.987 -3.852 39 3HG1 VAL 6 3HG1 VAL 6 -0.094 -11.511 -4.716 40 1HG2 VAL 6 1HG2 VAL 6 -1.437 -12.456 -8.011 41 2HG2 VAL 6 2HG2 VAL 6 -0.011 -12.527 -6.977 42 3HG2 VAL 6 3HG2 VAL 6 -0.617 -10.969 -7.542 43 H SER 7 H SER 7 -2.461 -14.474 -8.056 44 HA SER 7 HA SER 7 -2.261 -16.940 -6.636 45 1HB SER 7 2HB SER 7 -2.464 -17.394 -8.854 46 2HB SER 7 1HB SER 7 -1.753 -15.855 -9.321 47 HG SER 7 HG SER 7 -0.162 -17.149 -9.872 48 HA PRO 8 HA PRO 8 2.385 -16.359 -6.387 49 1HB PRO 8 2HB PRO 8 3.671 -14.389 -7.753 50 2HB PRO 8 1HB PRO 8 3.243 -15.943 -8.489 51 1HG PRO 8 2HG PRO 8 2.023 -13.302 -8.854 52 2HG PRO 8 1HG PRO 8 2.070 -14.677 -9.959 53 1HD PRO 8 2HD PRO 8 -0.114 -13.870 -8.346 54 2HD PRO 8 1HD PRO 8 0.043 -15.367 -9.274 55 H ALA 9 H ALA 9 3.917 -14.951 -5.120 56 HA ALA 9 HA ALA 9 3.132 -12.249 -4.357 57 1HB ALA 9 1HB ALA 9 1.641 -14.237 -3.247 58 2HB ALA 9 2HB ALA 9 1.945 -12.689 -2.461 59 3HB ALA 9 3HB ALA 9 2.932 -14.093 -2.057 60 H SER 10 H SER 10 5.505 -13.952 -5.131 61 HA SER 10 HA SER 10 7.461 -12.727 -3.423 62 1HB SER 10 2HB SER 10 8.049 -14.555 -2.050 63 2HB SER 10 1HB SER 10 6.290 -14.587 -2.044 64 HG SER 10 HG SER 10 7.650 -16.596 -2.572 65 H GLY 11 H GLY 11 9.676 -13.404 -4.084 66 1HA GLY 11 2HA GLY 11 11.187 -13.803 -5.844 67 2HA GLY 11 1HA GLY 11 10.373 -15.367 -5.924 68 H LEU 12 H LEU 12 9.211 -12.086 -6.660 69 HA LEU 12 HA LEU 12 7.941 -13.040 -9.125 70 1HB LEU 12 2HB LEU 12 8.228 -10.299 -7.867 71 2HB LEU 12 1HB LEU 12 7.109 -10.721 -9.164 72 HG LEU 12 HG LEU 12 7.127 -11.966 -6.399 73 1HD1 LEU 12 1HD1 LEU 12 4.691 -10.694 -6.886 74 2HD1 LEU 12 2HD1 LEU 12 5.902 -9.564 -7.494 75 3HD1 LEU 12 3HD1 LEU 12 5.975 -10.120 -5.822 76 1HD2 LEU 12 1HD2 LEU 12 6.243 -13.615 -7.808 77 2HD2 LEU 12 2HD2 LEU 12 5.546 -12.433 -8.916 78 3HD2 LEU 12 3HD2 LEU 12 4.796 -12.719 -7.346 79 H SER 13 H SER 13 8.288 -10.799 -10.773 80 HA SER 13 HA SER 13 11.204 -10.428 -11.176 81 1HB SER 13 2HB SER 13 9.326 -11.979 -12.948 82 2HB SER 13 1HB SER 13 10.770 -11.225 -13.615 83 HG SER 13 HG SER 13 11.852 -12.825 -12.807 84 H ASP 14 H ASP 14 11.657 -8.623 -12.564 85 HA ASP 14 HA ASP 14 9.675 -6.533 -12.593 86 1HB ASP 14 2HB ASP 14 11.434 -5.283 -13.686 87 2HB ASP 14 1HB ASP 14 12.199 -6.344 -12.501 88 H GLY 15 H GLY 15 8.101 -6.164 -14.087 89 1HA GLY 15 2HA GLY 15 7.149 -6.003 -16.270 90 2HA GLY 15 1HA GLY 15 8.479 -6.975 -16.883 91 H GLN 16 H GLN 16 8.027 -8.933 -14.624 92 HA GLN 16 HA GLN 16 6.513 -10.885 -15.983 93 1HB GLN 16 2HB GLN 16 7.978 -11.479 -14.187 94 2HB GLN 16 1HB GLN 16 7.145 -10.401 -13.067 95 1HG GLN 16 2HG GLN 16 5.089 -11.805 -13.319 96 2HG GLN 16 1HG GLN 16 6.021 -12.926 -14.312 97 1HE2 GLN 16 1HE2 GLN 16 4.948 -13.975 -11.996 98 2HE2 GLN 16 2HE2 GLN 16 6.158 -14.215 -10.835 99 H SER 17 H SER 17 4.336 -11.704 -15.522 100 HA SER 17 HA SER 17 2.502 -9.616 -14.394 101 1HB SER 17 2HB SER 17 1.318 -9.677 -16.336 102 2HB SER 17 1HB SER 17 2.760 -10.418 -17.025 103 HG SER 17 HG SER 17 0.894 -11.686 -17.392 104 H VAL 18 H VAL 18 1.735 -10.480 -12.514 105 HA VAL 18 HA VAL 18 1.525 -13.351 -12.054 106 HB VAL 18 HB VAL 18 0.732 -12.552 -9.863 107 1HG1 VAL 18 1HG1 VAL 18 2.703 -11.181 -9.278 108 2HG1 VAL 18 2HG1 VAL 18 2.996 -10.869 -10.986 109 3HG1 VAL 18 3HG1 VAL 18 3.163 -12.501 -10.348 110 1HG2 VAL 18 1HG2 VAL 18 -0.491 -10.661 -9.830 111 2HG2 VAL 18 2HG2 VAL 18 -0.002 -10.264 -11.476 112 3HG2 VAL 18 3HG2 VAL 18 0.996 -9.759 -10.112 113 H SER 19 H SER 19 -0.712 -14.027 -10.975 114 HA SER 19 HA SER 19 -2.910 -13.115 -12.803 115 1HB SER 19 2HB SER 19 -3.619 -15.598 -11.892 116 2HB SER 19 1HB SER 19 -2.742 -15.313 -13.393 117 HG SER 19 HG SER 19 -1.000 -16.097 -12.503 118 H VAL 20 H VAL 20 -3.866 -11.581 -11.408 119 HA VAL 20 HA VAL 20 -4.361 -12.203 -8.591 120 HB VAL 20 HB VAL 20 -5.151 -9.952 -10.455 121 1HG1 VAL 20 1HG1 VAL 20 -6.792 -9.970 -8.732 122 2HG1 VAL 20 2HG1 VAL 20 -5.609 -8.763 -8.234 123 3HG1 VAL 20 3HG1 VAL 20 -5.600 -10.363 -7.497 124 1HG2 VAL 20 1HG2 VAL 20 -3.167 -9.009 -9.914 125 2HG2 VAL 20 2HG2 VAL 20 -2.700 -10.593 -9.300 126 3HG2 VAL 20 3HG2 VAL 20 -3.372 -9.387 -8.204 127 H SER 21 H SER 21 -6.637 -11.914 -7.769 128 HA SER 21 HA SER 21 -8.862 -12.497 -9.569 129 1HB SER 21 2HB SER 21 -9.082 -14.751 -9.139 130 2HB SER 21 1HB SER 21 -7.337 -14.629 -8.927 131 HG SER 21 HG SER 21 -8.106 -15.593 -7.105 132 H VAL 22 H VAL 22 -10.232 -11.023 -8.635 133 HA VAL 22 HA VAL 22 -10.428 -10.990 -5.664 134 HB VAL 22 HB VAL 22 -11.330 -8.905 -7.651 135 1HG1 VAL 22 1HG1 VAL 22 -11.508 -7.487 -5.808 136 2HG1 VAL 22 2HG1 VAL 22 -10.362 -8.423 -4.851 137 3HG1 VAL 22 3HG1 VAL 22 -11.999 -9.026 -5.105 138 1HG2 VAL 22 1HG2 VAL 22 -8.955 -9.275 -8.044 139 2HG2 VAL 22 2HG2 VAL 22 -8.627 -9.246 -6.314 140 3HG2 VAL 22 3HG2 VAL 22 -9.144 -7.775 -7.137 141 H SER 23 H SER 23 -12.559 -10.969 -4.746 142 HA SER 23 HA SER 23 -14.826 -11.513 -6.618 143 1HB SER 23 2HB SER 23 -14.691 -13.188 -4.195 144 2HB SER 23 1HB SER 23 -15.113 -13.636 -5.844 145 HG SER 23 HG SER 23 -12.615 -13.500 -4.584 146 H GLY 24 H GLY 24 -16.945 -11.515 -5.321 147 1HA GLY 24 2HA GLY 24 -18.241 -10.749 -3.439 148 2HA GLY 24 1HA GLY 24 -16.806 -9.924 -2.822 149 H ALA 25 H ALA 25 -16.397 -8.979 -5.740 150 HA ALA 25 HA ALA 25 -17.746 -6.419 -5.394 151 1HB ALA 25 1HB ALA 25 -16.557 -5.955 -7.548 152 2HB ALA 25 2HB ALA 25 -16.086 -7.653 -7.613 153 3HB ALA 25 3HB ALA 25 -15.491 -6.620 -6.310 154 H ALA 26 H ALA 26 -18.305 -5.974 -8.243 155 HA ALA 26 HA ALA 26 -20.436 -7.934 -8.895 156 1HB ALA 26 1HB ALA 26 -21.171 -6.059 -7.246 157 2HB ALA 26 2HB ALA 26 -22.197 -6.394 -8.641 158 3HB ALA 26 3HB ALA 26 -21.106 -5.008 -8.660 159 H ALA 27 H ALA 27 -20.746 -8.071 -11.095 160 HA ALA 27 HA ALA 27 -18.962 -7.011 -12.978 161 1HB ALA 27 1HB ALA 27 -20.805 -8.861 -13.063 162 2HB ALA 27 2HB ALA 27 -20.430 -7.980 -14.543 163 3HB ALA 27 3HB ALA 27 -21.858 -7.554 -13.601 164 H GLY 28 H GLY 28 -18.701 -4.971 -13.770 165 1HA GLY 28 2HA GLY 28 -19.817 -3.053 -14.911 166 2HA GLY 28 1HA GLY 28 -21.030 -3.120 -13.636 167 H GLU 29 H GLU 29 -17.776 -3.688 -12.651 168 HA GLU 29 HA GLU 29 -17.514 -0.839 -11.758 169 1HB GLU 29 2HB GLU 29 -17.790 -3.344 -10.218 170 2HB GLU 29 1HB GLU 29 -16.481 -2.292 -9.676 171 1HG GLU 29 2HG GLU 29 -19.278 -1.255 -10.182 172 2HG GLU 29 1HG GLU 29 -18.773 -1.873 -8.609 173 H THR 30 H THR 30 -15.315 -0.156 -11.464 174 HA THR 30 HA THR 30 -13.212 -2.069 -12.395 175 HB THR 30 HB THR 30 -13.247 0.815 -13.243 176 HG1 THR 30 HG1 THR 30 -14.940 0.465 -14.403 177 1HG2 THR 30 1HG2 THR 30 -12.414 -0.907 -15.295 178 2HG2 THR 30 2HG2 THR 30 -11.742 -1.596 -13.818 179 3HG2 THR 30 3HG2 THR 30 -11.379 0.072 -14.257 180 H TYR 31 H TYR 31 -11.739 -2.176 -10.745 181 HA TYR 31 HA TYR 31 -11.363 0.194 -8.977 182 1HB TYR 31 2HB TYR 31 -10.337 -2.644 -8.709 183 2HB TYR 31 1HB TYR 31 -10.452 -1.430 -7.434 184 HD1 TYR 31 HD1 TYR 31 -12.923 -0.364 -7.198 185 HD2 TYR 31 HD2 TYR 31 -12.018 -4.248 -8.801 186 HE1 TYR 31 HE1 TYR 31 -15.235 -1.110 -6.693 187 HE2 TYR 31 HE2 TYR 31 -14.330 -4.994 -8.297 188 HH TYR 31 HH TYR 31 -16.535 -4.029 -7.925 189 H TYR 32 H TYR 32 -9.059 0.706 -8.357 190 HA TYR 32 HA TYR 32 -7.250 0.358 -10.724 191 1HB TYR 32 2HB TYR 32 -7.462 2.406 -8.496 192 2HB TYR 32 1HB TYR 32 -6.158 2.400 -9.681 193 HD1 TYR 32 HD1 TYR 32 -9.885 2.474 -9.386 194 HD2 TYR 32 HD2 TYR 32 -6.448 3.408 -11.787 195 HE1 TYR 32 HE1 TYR 32 -11.337 3.686 -10.992 196 HE2 TYR 32 HE2 TYR 32 -7.899 4.619 -13.394 197 HH TYR 32 HH TYR 32 -10.804 5.721 -12.773 198 H ILE 33 H ILE 33 -5.453 -0.923 -10.428 199 HA ILE 33 HA ILE 33 -4.650 -1.570 -7.608 200 HB ILE 33 HB ILE 33 -5.452 -3.495 -8.801 201 1HG1 ILE 33 2HG1 ILE 33 -2.490 -3.740 -9.258 202 2HG1 ILE 33 1HG1 ILE 33 -3.093 -3.514 -7.615 203 1HG2 ILE 33 1HG2 ILE 33 -5.439 -2.716 -11.061 204 2HG2 ILE 33 2HG2 ILE 33 -4.337 -4.094 -11.021 205 3HG2 ILE 33 3HG2 ILE 33 -3.695 -2.451 -11.032 206 1HD1 ILE 33 1HD1 ILE 33 -3.776 -5.658 -7.502 207 2HD1 ILE 33 2HD1 ILE 33 -2.974 -5.934 -9.048 208 3HD1 ILE 33 3HD1 ILE 33 -4.682 -5.497 -9.006 209 H ALA 34 H ALA 34 -2.529 -1.144 -7.017 210 HA ALA 34 HA ALA 34 -0.514 -0.568 -9.122 211 1HB ALA 34 1HB ALA 34 -0.245 1.669 -8.515 212 2HB ALA 34 2HB ALA 34 -0.905 1.409 -6.899 213 3HB ALA 34 3HB ALA 34 -1.984 1.469 -8.293 214 H GLN 35 H GLN 35 1.627 -0.880 -8.360 215 HA GLN 35 HA GLN 35 1.829 -2.275 -5.744 216 1HB GLN 35 2HB GLN 35 2.721 -3.282 -7.822 217 2HB GLN 35 1HB GLN 35 3.775 -1.884 -8.041 218 1HG GLN 35 2HG GLN 35 4.581 -2.464 -5.608 219 2HG GLN 35 1HG GLN 35 3.922 -4.059 -5.976 220 1HE2 GLN 35 1HE2 GLN 35 5.117 -5.406 -7.393 221 2HE2 GLN 35 2HE2 GLN 35 6.572 -4.935 -8.126 222 H CYS 36 H CYS 36 2.748 -1.271 -3.984 223 HA CYS 36 HA CYS 36 4.544 1.074 -4.459 224 1HB CYS 36 2HB CYS 36 2.673 1.376 -2.185 225 2HB CYS 36 1HB CYS 36 3.143 2.556 -3.400 226 H ALA 37 H ALA 37 5.760 1.641 -2.415 227 HA ALA 37 HA ALA 37 6.090 -0.731 -0.604 228 1HB ALA 37 1HB ALA 37 8.479 -0.320 -0.705 229 2HB ALA 37 2HB ALA 37 8.227 1.184 -1.590 230 3HB ALA 37 3HB ALA 37 7.876 -0.363 -2.362 231 HA PRO 38 HA PRO 38 5.524 2.178 2.650 232 1HB PRO 38 2HB PRO 38 6.944 0.981 4.657 233 2HB PRO 38 1HB PRO 38 5.371 0.387 4.092 234 1HG PRO 38 2HG PRO 38 8.101 -0.626 3.493 235 2HG PRO 38 1HG PRO 38 6.591 -1.520 3.718 236 1HD PRO 38 2HD PRO 38 7.710 -0.984 1.261 237 2HD PRO 38 1HD PRO 38 5.980 -1.294 1.524 238 H VAL 39 H VAL 39 6.788 3.655 4.133 239 HA VAL 39 HA VAL 39 9.683 3.852 3.813 240 HB VAL 39 HB VAL 39 8.796 4.602 1.605 241 1HG1 VAL 39 1HG1 VAL 39 7.760 7.131 2.728 242 2HG1 VAL 39 2HG1 VAL 39 6.766 5.715 3.065 243 3HG1 VAL 39 3HG1 VAL 39 7.140 6.152 1.399 244 1HG2 VAL 39 1HG2 VAL 39 10.719 5.808 3.192 245 2HG2 VAL 39 2HG2 VAL 39 9.724 7.172 2.679 246 3HG2 VAL 39 3HG2 VAL 39 10.473 6.123 1.474 247 H GLY 40 H GLY 40 8.997 3.816 6.223 248 1HA GLY 40 2HA GLY 40 9.347 5.247 8.137 249 2HA GLY 40 1HA GLY 40 8.834 6.626 7.165 250 H GLY 41 H GLY 41 6.415 5.615 6.147 251 1HA GLY 41 2HA GLY 41 4.728 4.483 8.178 252 2HA GLY 41 1HA GLY 41 4.577 6.241 8.186 253 H GLN 42 H GLN 42 5.031 6.528 5.319 254 HA GLN 42 HA GLN 42 2.325 5.688 4.401 255 1HB GLN 42 2HB GLN 42 4.075 7.983 4.132 256 2HB GLN 42 1HB GLN 42 3.602 7.387 2.541 257 1HG GLN 42 2HG GLN 42 1.230 7.446 3.213 258 2HG GLN 42 1HG GLN 42 1.696 8.030 4.810 259 1HE2 GLN 42 1HE2 GLN 42 3.794 9.854 3.912 260 2HE2 GLN 42 2HE2 GLN 42 3.032 11.135 3.099 261 H ASP 43 H ASP 43 2.947 5.859 1.599 262 HA ASP 43 HA ASP 43 5.113 3.932 1.097 263 1HB ASP 43 2HB ASP 43 3.652 2.171 0.347 264 2HB ASP 43 1HB ASP 43 3.089 2.670 1.942 265 H ALA 44 H ALA 44 5.994 4.522 -0.804 266 HA ALA 44 HA ALA 44 4.551 6.318 -2.640 267 1HB ALA 44 1HB ALA 44 7.227 5.694 -1.849 268 2HB ALA 44 2HB ALA 44 6.688 7.002 -2.901 269 3HB ALA 44 3HB ALA 44 7.105 5.434 -3.589 270 H CYS 45 H CYS 45 3.556 5.588 -4.522 271 HA CYS 45 HA CYS 45 3.924 2.707 -5.216 272 1HB CYS 45 2HB CYS 45 1.689 4.124 -4.712 273 2HB CYS 45 1HB CYS 45 1.809 4.384 -6.453 274 H ASN 46 H ASN 46 3.612 2.303 -7.668 275 HA ASN 46 HA ASN 46 5.594 3.948 -9.122 276 1HB ASN 46 2HB ASN 46 4.051 1.455 -9.910 277 2HB ASN 46 1HB ASN 46 5.504 2.074 -10.692 278 1HD2 ASN 46 1HD2 ASN 46 6.805 0.194 -10.182 279 2HD2 ASN 46 2HD2 ASN 46 7.271 -0.174 -8.592 280 HA PRO 47 HA PRO 47 2.243 6.066 -11.149 281 1HB PRO 47 2HB PRO 47 3.787 7.705 -12.692 282 2HB PRO 47 1HB PRO 47 3.513 7.985 -10.960 283 1HG PRO 47 2HG PRO 47 5.898 6.901 -12.342 284 2HG PRO 47 1HG PRO 47 5.786 7.852 -10.854 285 1HD PRO 47 2HD PRO 47 6.185 5.092 -10.993 286 2HD PRO 47 1HD PRO 47 5.660 5.994 -9.555 287 H ALA 48 H ALA 48 4.773 4.212 -12.617 288 HA ALA 48 HA ALA 48 3.769 4.397 -15.358 289 1HB ALA 48 1HB ALA 48 5.480 2.511 -15.611 290 2HB ALA 48 2HB ALA 48 5.801 2.711 -13.888 291 3HB ALA 48 3HB ALA 48 6.111 4.041 -15.002 292 H THR 49 H THR 49 3.888 1.816 -12.894 293 HA THR 49 HA THR 49 1.942 0.209 -14.434 294 HB THR 49 HB THR 49 2.419 -1.310 -12.381 295 HG1 THR 49 HG1 THR 49 4.763 0.152 -12.148 296 1HG2 THR 49 1HG2 THR 49 4.779 -1.759 -13.364 297 2HG2 THR 49 2HG2 THR 49 4.363 -0.501 -14.522 298 3HG2 THR 49 3HG2 THR 49 3.382 -1.962 -14.416 299 H ALA 50 H ALA 50 -0.189 0.660 -14.111 300 HA ALA 50 HA ALA 50 -1.394 0.603 -11.501 301 1HB ALA 50 1HB ALA 50 -2.026 3.241 -12.137 302 2HB ALA 50 2HB ALA 50 -0.312 3.115 -12.532 303 3HB ALA 50 3HB ALA 50 -0.873 2.729 -10.906 304 H THR 51 H THR 51 -2.129 -0.796 -13.691 305 HA THR 51 HA THR 51 -4.151 0.612 -15.282 306 HB THR 51 HB THR 51 -2.665 -1.259 -16.069 307 HG1 THR 51 HG1 THR 51 -4.209 -1.942 -17.375 308 1HG2 THR 51 1HG2 THR 51 -4.437 -3.276 -14.831 309 2HG2 THR 51 2HG2 THR 51 -3.330 -2.465 -13.722 310 3HG2 THR 51 3HG2 THR 51 -2.698 -3.331 -15.123 311 H SER 52 H SER 52 -6.430 0.077 -15.213 312 HA SER 52 HA SER 52 -7.351 -0.705 -12.486 313 1HB SER 52 2HB SER 52 -8.950 0.519 -14.734 314 2HB SER 52 1HB SER 52 -9.266 0.611 -13.005 315 HG SER 52 HG SER 52 -7.156 1.813 -14.478 316 H PHE 53 H PHE 53 -8.581 -2.564 -12.210 317 HA PHE 53 HA PHE 53 -9.184 -4.147 -14.682 318 1HB PHE 53 2HB PHE 53 -8.997 -6.087 -13.174 319 2HB PHE 53 1HB PHE 53 -7.548 -5.090 -13.093 320 HD1 PHE 53 HD1 PHE 53 -10.594 -6.145 -11.324 321 HD2 PHE 53 HD2 PHE 53 -7.048 -3.738 -11.123 322 HE1 PHE 53 HE1 PHE 53 -10.908 -5.890 -8.878 323 HE2 PHE 53 HE2 PHE 53 -7.362 -3.477 -8.679 324 HZ PHE 53 HZ PHE 53 -9.289 -4.554 -7.559 325 H THR 54 H THR 54 -11.275 -4.904 -14.999 326 HA THR 54 HA THR 54 -13.354 -3.885 -13.105 327 HB THR 54 HB THR 54 -13.554 -4.821 -15.982 328 HG1 THR 54 HG1 THR 54 -13.188 -2.795 -16.549 329 1HG2 THR 54 1HG2 THR 54 -15.591 -4.694 -14.303 330 2HG2 THR 54 2HG2 THR 54 -15.754 -4.090 -15.953 331 3HG2 THR 54 3HG2 THR 54 -15.469 -2.965 -14.625 332 H THR 55 H THR 55 -14.924 -5.329 -12.313 333 HA THR 55 HA THR 55 -14.187 -8.055 -11.927 334 HB THR 55 HB THR 55 -16.736 -8.107 -11.296 335 HG1 THR 55 HG1 THR 55 -17.742 -6.345 -11.754 336 1HG2 THR 55 1HG2 THR 55 -14.633 -6.355 -10.020 337 2HG2 THR 55 2HG2 THR 55 -15.068 -8.011 -9.591 338 3HG2 THR 55 3HG2 THR 55 -16.186 -6.693 -9.262 339 H ASP 56 H ASP 56 -16.000 -9.774 -12.519 340 HA ASP 56 HA ASP 56 -16.199 -9.749 -15.488 341 1HB ASP 56 2HB ASP 56 -16.128 -11.784 -13.282 342 2HB ASP 56 1HB ASP 56 -16.815 -12.231 -14.844 343 H ALA 57 H ALA 57 -18.300 -11.554 -15.780 344 HA ALA 57 HA ALA 57 -20.598 -9.854 -15.470 345 1HB ALA 57 1HB ALA 57 -21.700 -11.613 -16.619 346 2HB ALA 57 2HB ALA 57 -20.640 -12.839 -15.923 347 3HB ALA 57 3HB ALA 57 -20.030 -11.747 -17.168 348 H SER 58 H SER 58 -19.189 -12.448 -13.587 349 HA SER 58 HA SER 58 -21.528 -12.617 -11.794 350 1HB SER 58 2HB SER 58 -20.649 -14.707 -11.735 351 2HB SER 58 1HB SER 58 -19.170 -14.165 -12.519 352 HG SER 58 HG SER 58 -19.136 -15.004 -10.218 353 H GLY 59 H GLY 59 -19.210 -10.357 -12.164 354 1HA GLY 59 2HA GLY 59 -18.666 -8.587 -10.663 355 2HA GLY 59 1HA GLY 59 -19.345 -9.527 -9.343 356 H ALA 60 H ALA 60 -17.283 -11.554 -11.019 357 HA ALA 60 HA ALA 60 -15.199 -11.240 -8.931 358 1HB ALA 60 1HB ALA 60 -15.079 -13.474 -9.206 359 2HB ALA 60 2HB ALA 60 -14.732 -13.284 -10.926 360 3HB ALA 60 3HB ALA 60 -16.401 -13.340 -10.363 361 H ALA 61 H ALA 61 -13.407 -10.008 -9.347 362 HA ALA 61 HA ALA 61 -12.754 -9.281 -12.152 363 1HB ALA 61 1HB ALA 61 -11.087 -7.810 -10.739 364 2HB ALA 61 2HB ALA 61 -12.123 -8.282 -9.395 365 3HB ALA 61 3HB ALA 61 -12.803 -7.407 -10.767 366 H SER 62 H SER 62 -11.856 -11.470 -12.674 367 HA SER 62 HA SER 62 -9.272 -12.122 -11.331 368 1HB SER 62 2HB SER 62 -10.790 -13.693 -13.421 369 2HB SER 62 1HB SER 62 -9.599 -14.301 -12.278 370 HG SER 62 HG SER 62 -11.785 -14.722 -11.650 371 H PHE 63 H PHE 63 -7.327 -11.774 -12.438 372 HA PHE 63 HA PHE 63 -7.174 -11.756 -15.333 373 1HB PHE 63 2HB PHE 63 -6.875 -9.320 -15.579 374 2HB PHE 63 1HB PHE 63 -8.459 -9.693 -14.904 375 HD1 PHE 63 HD1 PHE 63 -8.831 -9.496 -12.413 376 HD2 PHE 63 HD2 PHE 63 -5.256 -8.082 -14.331 377 HE1 PHE 63 HE1 PHE 63 -8.303 -8.118 -10.417 378 HE2 PHE 63 HE2 PHE 63 -4.727 -6.704 -12.333 379 HZ PHE 63 HZ PHE 63 -6.256 -6.724 -10.374 380 H SER 64 H SER 64 -5.009 -10.529 -15.970 381 HA SER 64 HA SER 64 -2.917 -11.456 -14.051 382 1HB SER 64 2HB SER 64 -1.504 -11.388 -16.109 383 2HB SER 64 1HB SER 64 -2.925 -12.405 -16.320 384 HG SER 64 HG SER 64 -3.295 -11.155 -17.971 385 H PHE 65 H PHE 65 -1.615 -9.931 -13.069 386 HA PHE 65 HA PHE 65 -1.792 -7.103 -14.024 387 1HB PHE 65 2HB PHE 65 -2.861 -7.312 -11.914 388 2HB PHE 65 1HB PHE 65 -1.607 -8.393 -11.306 389 HD1 PHE 65 HD1 PHE 65 -1.902 -4.964 -12.796 390 HD2 PHE 65 HD2 PHE 65 -0.020 -7.490 -9.881 391 HE1 PHE 65 HE1 PHE 65 -0.637 -3.020 -11.932 392 HE2 PHE 65 HE2 PHE 65 1.245 -5.550 -9.015 393 HZ PHE 65 HZ PHE 65 0.943 -3.309 -10.038 394 H VAL 66 H VAL 66 0.176 -6.027 -14.358 395 HA VAL 66 HA VAL 66 2.613 -7.674 -14.379 396 HB VAL 66 HB VAL 66 2.159 -4.760 -15.032 397 1HG1 VAL 66 1HG1 VAL 66 4.267 -6.645 -16.099 398 2HG1 VAL 66 2HG1 VAL 66 4.539 -5.604 -14.702 399 3HG1 VAL 66 3HG1 VAL 66 4.198 -4.892 -16.279 400 1HG2 VAL 66 1HG2 VAL 66 0.654 -6.249 -16.317 401 2HG2 VAL 66 2HG2 VAL 66 2.044 -7.210 -16.816 402 3HG2 VAL 66 3HG2 VAL 66 1.887 -5.542 -17.359 403 H VAL 67 H VAL 67 4.609 -6.899 -13.371 404 HA VAL 67 HA VAL 67 4.225 -5.169 -10.956 405 HB VAL 67 HB VAL 67 5.661 -6.897 -9.759 406 1HG1 VAL 67 1HG1 VAL 67 3.066 -6.720 -9.784 407 2HG1 VAL 67 2HG1 VAL 67 3.801 -8.199 -9.168 408 3HG1 VAL 67 3HG1 VAL 67 3.137 -8.158 -10.801 409 1HG2 VAL 67 1HG2 VAL 67 6.619 -7.990 -11.720 410 2HG2 VAL 67 2HG2 VAL 67 5.012 -8.455 -12.284 411 3HG2 VAL 67 3HG2 VAL 67 5.673 -9.168 -10.810 412 H ARG 68 H ARG 68 6.610 -4.817 -9.981 413 HA ARG 68 HA ARG 68 8.678 -4.738 -12.102 414 1HB ARG 68 2HB ARG 68 7.415 -2.318 -10.786 415 2HB ARG 68 1HB ARG 68 8.933 -2.251 -11.686 416 1HG ARG 68 2HG ARG 68 7.511 -3.526 -13.527 417 2HG ARG 68 1HG ARG 68 6.164 -2.762 -12.690 418 1HD ARG 68 2HD ARG 68 6.672 -1.073 -14.199 419 2HD ARG 68 1HD ARG 68 7.791 -0.624 -12.895 420 HE ARG 68 HE ARG 68 9.252 -2.469 -14.298 421 1HH1 ARG 68 1HH1 ARG 68 10.024 0.386 -14.448 422 2HH1 ARG 68 2HH1 ARG 68 9.871 0.735 -16.138 423 1HH2 ARG 68 1HH2 ARG 68 7.934 -2.062 -16.811 424 2HH2 ARG 68 2HH2 ARG 68 8.687 -0.650 -17.476 425 H LYS 69 H LYS 69 10.205 -5.822 -10.951 426 HA LYS 69 HA LYS 69 10.719 -6.152 -8.299 427 1HB LYS 69 2HB LYS 69 11.982 -6.911 -10.389 428 2HB LYS 69 1HB LYS 69 12.881 -5.401 -10.261 429 1HG LYS 69 2HG LYS 69 13.325 -6.099 -7.811 430 2HG LYS 69 1HG LYS 69 12.817 -7.706 -8.328 431 1HD LYS 69 2HD LYS 69 15.042 -6.076 -9.578 432 2HD LYS 69 1HD LYS 69 15.255 -7.475 -8.525 433 1HE LYS 69 2HE LYS 69 13.437 -8.027 -10.761 434 2HE LYS 69 1HE LYS 69 15.075 -7.595 -11.287 435 1HZ LYS 69 1HZ LYS 69 14.324 -9.660 -9.293 436 2HZ LYS 69 2HZ LYS 69 15.920 -9.140 -9.557 437 3HZ LYS 69 3HZ LYS 69 15.059 -9.918 -10.798 438 H SER 70 H SER 70 12.241 -3.404 -10.088 439 HA SER 70 HA SER 70 12.300 -1.937 -7.467 440 1HB SER 70 2HB SER 70 14.485 -2.763 -8.319 441 2HB SER 70 1HB SER 70 14.243 -1.827 -9.790 442 HG SER 70 HG SER 70 15.123 -1.034 -7.359 443 H TYR 71 H TYR 71 12.222 0.436 -7.649 444 HA TYR 71 HA TYR 71 11.609 1.814 -10.099 445 1HB TYR 71 2HB TYR 71 9.218 1.931 -9.951 446 2HB TYR 71 1HB TYR 71 9.624 0.231 -9.727 447 HD1 TYR 71 HD1 TYR 71 9.602 -0.780 -7.454 448 HD2 TYR 71 HD2 TYR 71 8.299 3.252 -8.149 449 HE1 TYR 71 HE1 TYR 71 8.491 -0.755 -5.237 450 HE2 TYR 71 HE2 TYR 71 7.190 3.275 -5.934 451 HH TYR 71 HH TYR 71 7.131 2.181 -3.902 452 H THR 72 H THR 72 11.137 4.105 -9.644 453 HA THR 72 HA THR 72 12.244 5.000 -7.102 454 HB THR 72 HB THR 72 10.817 6.744 -9.072 455 HG1 THR 72 HG1 THR 72 11.945 5.708 -10.536 456 1HG2 THR 72 1HG2 THR 72 13.528 7.415 -8.242 457 2HG2 THR 72 2HG2 THR 72 12.448 7.183 -6.867 458 3HG2 THR 72 3HG2 THR 72 12.051 8.367 -8.111 459 H GLY 73 H GLY 73 11.084 5.574 -5.287 460 1HA GLY 73 2HA GLY 73 8.197 5.161 -5.277 461 2HA GLY 73 1HA GLY 73 9.174 5.642 -3.892 462 H SER 74 H SER 74 6.624 6.768 -4.920 463 HA SER 74 HA SER 74 7.136 9.541 -4.465 464 1HB SER 74 2HB SER 74 6.573 10.095 -6.995 465 2HB SER 74 1HB SER 74 8.228 9.736 -6.511 466 HG SER 74 HG SER 74 6.338 8.124 -7.835 467 H THR 75 H THR 75 5.188 10.044 -3.554 468 HA THR 75 HA THR 75 2.783 8.699 -3.626 469 HB THR 75 HB THR 75 1.803 10.978 -3.144 470 HG1 THR 75 HG1 THR 75 2.854 12.590 -3.945 471 1HG2 THR 75 1HG2 THR 75 3.678 9.471 -1.701 472 2HG2 THR 75 2HG2 THR 75 2.600 10.707 -1.053 473 3HG2 THR 75 3HG2 THR 75 4.234 11.138 -1.561 474 HA PRO 76 HA PRO 76 0.957 9.132 -7.590 475 1HB PRO 76 2HB PRO 76 -1.662 9.693 -7.020 476 2HB PRO 76 1HB PRO 76 -0.940 8.085 -6.800 477 1HG PRO 76 2HG PRO 76 -1.472 10.211 -4.780 478 2HG PRO 76 1HG PRO 76 -1.674 8.455 -4.651 479 1HD PRO 76 2HD PRO 76 0.452 9.771 -3.583 480 2HD PRO 76 1HD PRO 76 0.552 8.098 -4.177 481 H GLU 77 H GLU 77 0.785 11.779 -5.358 482 HA GLU 77 HA GLU 77 1.251 13.795 -7.316 483 1HB GLU 77 2HB GLU 77 -1.369 12.764 -7.321 484 2HB GLU 77 1HB GLU 77 -1.487 14.327 -6.511 485 1HG GLU 77 2HG GLU 77 -0.061 13.925 -9.153 486 2HG GLU 77 1HG GLU 77 -1.746 14.430 -9.025 487 H GLY 78 H GLY 78 2.645 14.367 -5.475 488 1HA GLY 78 2HA GLY 78 1.522 16.380 -3.769 489 2HA GLY 78 1HA GLY 78 1.768 14.897 -2.850 490 H THR 79 H THR 79 4.016 13.949 -2.987 491 HA THR 79 HA THR 79 6.153 15.904 -3.651 492 HB THR 79 HB THR 79 5.373 16.390 -1.346 493 HG1 THR 79 HG1 THR 79 7.427 16.802 -1.240 494 1HG2 THR 79 1HG2 THR 79 5.422 14.750 0.382 495 2HG2 THR 79 2HG2 THR 79 6.291 13.602 -0.637 496 3HG2 THR 79 3HG2 THR 79 4.604 13.985 -0.980 497 HA PRO 80 HA PRO 80 8.279 12.207 -4.714 498 1HB PRO 80 2HB PRO 80 10.879 12.978 -4.304 499 2HB PRO 80 1HB PRO 80 9.911 13.515 -5.693 500 1HG PRO 80 2HG PRO 80 10.516 14.945 -3.144 501 2HG PRO 80 1HG PRO 80 10.459 15.569 -4.802 502 1HD PRO 80 2HD PRO 80 8.435 15.939 -3.041 503 2HD PRO 80 1HD PRO 80 8.164 15.780 -4.790 504 H VAL 81 H VAL 81 8.545 10.379 -3.513 505 HA VAL 81 HA VAL 81 9.074 10.602 -0.617 506 HB VAL 81 HB VAL 81 8.485 8.172 -2.301 507 1HG1 VAL 81 1HG1 VAL 81 7.551 7.302 -0.215 508 2HG1 VAL 81 2HG1 VAL 81 7.893 8.831 0.594 509 3HG1 VAL 81 3HG1 VAL 81 9.220 7.808 0.042 510 1HG2 VAL 81 1HG2 VAL 81 6.202 9.326 -0.904 511 2HG2 VAL 81 2HG2 VAL 81 6.341 8.839 -2.592 512 3HG2 VAL 81 3HG2 VAL 81 6.860 10.447 -2.094 513 H GLY 82 H GLY 82 10.642 9.480 -3.556 514 1HA GLY 82 2HA GLY 82 13.212 9.557 -3.240 515 2HA GLY 82 1HA GLY 82 12.913 8.420 -1.923 516 H SER 83 H SER 83 14.253 6.851 -3.093 517 HA SER 83 HA SER 83 12.926 5.693 -5.520 518 1HB SER 83 2HB SER 83 15.746 5.906 -4.514 519 2HB SER 83 1HB SER 83 15.329 4.608 -5.628 520 HG SER 83 HG SER 83 15.927 6.341 -6.864 521 H VAL 84 H VAL 84 13.028 3.242 -5.628 522 HA VAL 84 HA VAL 84 13.238 1.943 -2.947 523 HB VAL 84 HB VAL 84 10.889 2.097 -4.832 524 1HG1 VAL 84 1HG1 VAL 84 11.534 -0.020 -2.779 525 2HG1 VAL 84 2HG1 VAL 84 11.021 -0.238 -4.447 526 3HG1 VAL 84 3HG1 VAL 84 9.875 0.345 -3.244 527 1HG2 VAL 84 1HG2 VAL 84 9.769 2.468 -2.536 528 2HG2 VAL 84 2HG2 VAL 84 10.819 3.755 -3.123 529 3HG2 VAL 84 3HG2 VAL 84 11.404 2.631 -1.897 530 H ASP 85 H ASP 85 13.394 -0.443 -3.126 531 HA ASP 85 HA ASP 85 13.875 -1.606 -5.800 532 1HB ASP 85 2HB ASP 85 16.208 -2.142 -5.286 533 2HB ASP 85 1HB ASP 85 15.967 -0.403 -5.123 534 H CYS 86 H CYS 86 12.542 -3.394 -5.473 535 HA CYS 86 HA CYS 86 12.317 -4.732 -2.896 536 1HB CYS 86 2HB CYS 86 10.867 -4.508 -5.269 537 2HB CYS 86 1HB CYS 86 11.363 -6.199 -5.222 538 H ALA 87 H ALA 87 14.809 -4.789 -5.075 539 HA ALA 87 HA ALA 87 15.430 -7.438 -5.697 540 1HB ALA 87 1HB ALA 87 17.851 -6.513 -5.009 541 2HB ALA 87 2HB ALA 87 16.963 -4.992 -4.912 542 3HB ALA 87 3HB ALA 87 17.003 -5.894 -6.427 543 H THR 88 H THR 88 15.825 -5.751 -2.623 544 HA THR 88 HA THR 88 15.999 -8.387 -1.233 545 HB THR 88 HB THR 88 18.261 -7.590 -1.434 546 HG1 THR 88 HG1 THR 88 18.293 -8.123 0.599 547 1HG2 THR 88 1HG2 THR 88 18.382 -5.400 -2.023 548 2HG2 THR 88 2HG2 THR 88 18.472 -5.117 -0.285 549 3HG2 THR 88 3HG2 THR 88 16.925 -4.981 -1.122 550 H ALA 89 H ALA 89 14.266 -5.657 -1.653 551 HA ALA 89 HA ALA 89 13.656 -5.185 1.217 552 1HB ALA 89 1HB ALA 89 14.236 -3.402 -0.598 553 2HB ALA 89 2HB ALA 89 12.879 -3.085 0.482 554 3HB ALA 89 3HB ALA 89 12.585 -3.671 -1.155 555 H ALA 90 H ALA 90 11.160 -4.597 1.412 556 HA ALA 90 HA ALA 90 9.647 -6.858 0.155 557 1HB ALA 90 1HB ALA 90 8.198 -6.451 2.263 558 2HB ALA 90 2HB ALA 90 9.544 -5.463 2.830 559 3HB ALA 90 3HB ALA 90 9.787 -7.178 2.500 560 H CYS 91 H CYS 91 7.965 -6.275 -1.164 561 HA CYS 91 HA CYS 91 7.065 -3.416 -1.122 562 1HB CYS 91 2HB CYS 91 7.044 -5.563 -3.267 563 2HB CYS 91 1HB CYS 91 6.430 -3.924 -3.487 564 H ASN 92 H ASN 92 4.681 -3.219 -1.885 565 HA ASN 92 HA ASN 92 3.012 -5.537 -1.052 566 1HB ASN 92 2HB ASN 92 1.727 -3.951 0.444 567 2HB ASN 92 1HB ASN 92 3.370 -4.288 0.987 568 1HD2 ASN 92 1HD2 ASN 92 4.269 -2.381 1.772 569 2HD2 ASN 92 2HD2 ASN 92 4.100 -0.855 1.050 570 H LEU 93 H LEU 93 1.202 -5.692 -2.321 571 HA LEU 93 HA LEU 93 0.688 -3.546 -4.303 572 1HB LEU 93 2HB LEU 93 0.967 -5.808 -5.118 573 2HB LEU 93 1HB LEU 93 -0.220 -6.416 -3.967 574 HG LEU 93 HG LEU 93 -1.945 -4.977 -5.054 575 1HD1 LEU 93 1HD1 LEU 93 0.399 -3.895 -6.309 576 2HD1 LEU 93 2HD1 LEU 93 -1.270 -3.336 -6.437 577 3HD1 LEU 93 3HD1 LEU 93 -0.659 -4.551 -7.558 578 1HD2 LEU 93 1HD2 LEU 93 -0.439 -7.036 -6.675 579 2HD2 LEU 93 2HD2 LEU 93 -1.941 -6.317 -7.253 580 3HD2 LEU 93 3HD2 LEU 93 -1.929 -7.249 -5.756 581 H GLY 94 H GLY 94 -1.257 -2.398 -4.327 582 1HA GLY 94 2HA GLY 94 -3.291 -3.153 -2.272 583 2HA GLY 94 1HA GLY 94 -2.788 -1.475 -2.476 584 H ALA 95 H ALA 95 -5.403 -3.088 -3.001 585 HA ALA 95 HA ALA 95 -5.844 -2.002 -5.770 586 1HB ALA 95 1HB ALA 95 -7.615 -3.949 -5.720 587 2HB ALA 95 2HB ALA 95 -6.618 -4.567 -4.404 588 3HB ALA 95 3HB ALA 95 -5.917 -4.333 -6.006 589 H GLY 96 H GLY 96 -7.997 -1.118 -6.144 590 1HA GLY 96 2HA GLY 96 -10.284 -0.970 -4.797 591 2HA GLY 96 1HA GLY 96 -9.260 -0.102 -3.653 592 H ASN 97 H ASN 97 -11.550 0.751 -5.538 593 HA ASN 97 HA ASN 97 -10.206 2.696 -7.306 594 1HB ASN 97 2HB ASN 97 -12.416 3.030 -8.169 595 2HB ASN 97 1HB ASN 97 -12.293 1.307 -7.821 596 1HD2 ASN 97 1HD2 ASN 97 -14.525 3.625 -7.615 597 2HD2 ASN 97 2HD2 ASN 97 -15.297 3.213 -6.162 598 H SER 98 H SER 98 -12.344 4.696 -6.975 599 HA SER 98 HA SER 98 -11.173 6.184 -4.724 600 1HB SER 98 2HB SER 98 -11.776 7.074 -7.025 601 2HB SER 98 1HB SER 98 -13.468 6.916 -6.565 602 HG SER 98 HG SER 98 -11.669 8.258 -4.872 603 H GLY 99 H GLY 99 -12.941 3.743 -4.202 604 1HA GLY 99 2HA GLY 99 -14.409 4.834 -1.981 605 2HA GLY 99 1HA GLY 99 -15.506 4.432 -3.303 606 H LEU 100 H LEU 100 -15.423 2.163 -4.110 607 HA LEU 100 HA LEU 100 -15.550 0.245 -1.984 608 1HB LEU 100 2HB LEU 100 -16.608 0.352 -4.376 609 2HB LEU 100 1HB LEU 100 -15.116 -0.441 -4.884 610 HG LEU 100 HG LEU 100 -16.609 -1.546 -2.529 611 1HD1 LEU 100 1HD1 LEU 100 -18.152 -2.731 -3.857 612 2HD1 LEU 100 2HD1 LEU 100 -17.254 -2.419 -5.342 613 3HD1 LEU 100 3HD1 LEU 100 -18.167 -1.120 -4.575 614 1HD2 LEU 100 1HD2 LEU 100 -14.370 -2.407 -3.209 615 2HD2 LEU 100 2HD2 LEU 100 -15.031 -2.815 -4.792 616 3HD2 LEU 100 3HD2 LEU 100 -15.625 -3.638 -3.351 617 H ASP 101 H ASP 101 -13.759 -0.452 -0.878 618 HA ASP 101 HA ASP 101 -11.126 -0.582 -2.239 619 1HB ASP 101 2HB ASP 101 -11.978 0.201 0.243 620 2HB ASP 101 1HB ASP 101 -11.436 -1.446 0.570 621 H LEU 102 H LEU 102 -9.793 -2.636 -1.536 622 HA LEU 102 HA LEU 102 -11.531 -5.059 -1.665 623 1HB LEU 102 2HB LEU 102 -9.144 -4.238 -3.320 624 2HB LEU 102 1HB LEU 102 -9.672 -5.919 -3.225 625 HG LEU 102 HG LEU 102 -11.629 -3.730 -3.895 626 1HD1 LEU 102 1HD1 LEU 102 -11.130 -3.882 -6.198 627 2HD1 LEU 102 2HD1 LEU 102 -10.154 -5.334 -5.979 628 3HD1 LEU 102 3HD1 LEU 102 -9.546 -3.772 -5.430 629 1HD2 LEU 102 1HD2 LEU 102 -12.394 -5.908 -5.271 630 2HD2 LEU 102 2HD2 LEU 102 -12.849 -5.661 -3.586 631 3HD2 LEU 102 3HD2 LEU 102 -11.489 -6.709 -3.986 632 H GLY 103 H GLY 103 -7.996 -4.611 -1.642 633 1HA GLY 103 2HA GLY 103 -7.655 -5.252 1.137 634 2HA GLY 103 1HA GLY 103 -7.453 -6.705 0.158 635 H HIS 104 H HIS 104 -5.228 -6.179 1.379 636 HA HIS 104 HA HIS 104 -3.518 -4.745 -0.623 637 1HB HIS 104 2HB HIS 104 -4.113 -3.855 1.877 638 2HB HIS 104 1HB HIS 104 -2.677 -4.822 2.217 639 HD1 HIS 104 HD1 HIS 104 -0.621 -3.435 2.105 640 HD2 HIS 104 HD2 HIS 104 -3.456 -2.189 -0.684 641 HE1 HIS 104 HE1 HIS 104 0.417 -1.497 0.843 642 H VAL 105 H VAL 105 -2.439 -6.441 -1.608 643 HA VAL 105 HA VAL 105 -1.644 -8.814 -0.037 644 HB VAL 105 HB VAL 105 -1.435 -7.950 -2.931 645 1HG1 VAL 105 1HG1 VAL 105 -0.766 -10.321 -3.352 646 2HG1 VAL 105 2HG1 VAL 105 -0.594 -10.549 -1.617 647 3HG1 VAL 105 3HG1 VAL 105 0.451 -9.412 -2.467 648 1HG2 VAL 105 1HG2 VAL 105 -3.689 -8.500 -2.185 649 2HG2 VAL 105 2HG2 VAL 105 -3.117 -10.000 -1.464 650 3HG2 VAL 105 3HG2 VAL 105 -3.093 -9.800 -3.214 651 H ALA 106 H ALA 106 0.703 -9.594 -0.454 652 HA ALA 106 HA ALA 106 2.586 -7.262 -0.306 653 1HB ALA 106 1HB ALA 106 2.231 -9.757 1.333 654 2HB ALA 106 2HB ALA 106 2.525 -8.104 1.876 655 3HB ALA 106 3HB ALA 106 3.843 -9.054 1.191 656 H LEU 107 H LEU 107 4.316 -7.398 -1.725 657 HA LEU 107 HA LEU 107 4.601 -9.937 -3.300 658 1HB LEU 107 2HB LEU 107 5.682 -7.183 -3.961 659 2HB LEU 107 1HB LEU 107 5.372 -8.520 -5.066 660 HG LEU 107 HG LEU 107 3.304 -6.878 -3.582 661 1HD1 LEU 107 1HD1 LEU 107 2.670 -6.102 -5.768 662 2HD1 LEU 107 2HD1 LEU 107 3.720 -7.275 -6.556 663 3HD1 LEU 107 3HD1 LEU 107 4.419 -5.927 -5.661 664 1HD2 LEU 107 1HD2 LEU 107 2.092 -8.802 -3.676 665 2HD2 LEU 107 2HD2 LEU 107 3.210 -9.555 -4.814 666 3HD2 LEU 107 3HD2 LEU 107 1.965 -8.452 -5.400 667 H THR 108 H THR 108 6.982 -10.200 -4.107 668 HA THR 108 HA THR 108 9.106 -9.161 -2.390 669 HB THR 108 HB THR 108 8.743 -12.114 -2.204 670 HG1 THR 108 HG1 THR 108 7.187 -11.967 -0.714 671 1HG2 THR 108 1HG2 THR 108 9.657 -11.656 0.080 672 2HG2 THR 108 2HG2 THR 108 9.715 -9.942 -0.335 673 3HG2 THR 108 3HG2 THR 108 10.713 -11.097 -1.218 674 H PHE 109 H PHE 109 10.927 -9.145 -3.678 675 HA PHE 109 HA PHE 109 10.944 -10.961 -6.057 676 1HB PHE 109 2HB PHE 109 12.223 -8.298 -5.382 677 2HB PHE 109 1HB PHE 109 12.701 -9.231 -6.803 678 HD1 PHE 109 HD1 PHE 109 11.478 -9.047 -8.800 679 HD2 PHE 109 HD2 PHE 109 9.676 -7.809 -5.101 680 HE1 PHE 109 HE1 PHE 109 9.534 -8.155 -10.049 681 HE2 PHE 109 HE2 PHE 109 7.728 -6.915 -6.353 682 HZ PHE 109 HZ PHE 109 7.654 -7.088 -8.832 683 H GLY 110 H GLY 110 12.529 -12.529 -6.191 684 1HA GLY 110 2HA GLY 110 14.690 -13.497 -5.818 685 2HA GLY 110 1HA GLY 110 15.008 -12.255 -4.606 686 2H2' ROM 111 2H2' ROM 111 -9.876 5.569 -8.107 687 2H3' ROM 111 2H3' ROM 111 -7.522 6.384 -11.253 688 H'1 ROM 111 H'1 ROM 111 -3.449 4.617 -9.388 689 3H18 ROM 111 3H18 ROM 111 -5.050 2.738 0.238 690 2H18 ROM 111 2H18 ROM 111 -3.704 3.431 1.009 691 2H23 ROM 111 2H23 ROM 111 -6.951 8.537 -2.273 692 H1' ROM 111 H1' ROM 111 -7.849 7.310 -8.014 693 H2' ROM 111 H2' ROM 111 -10.611 7.598 -9.191 694 H3' ROM 111 H3' ROM 111 -9.466 7.132 -11.310 695 H4' ROM 111 H4' ROM 111 -9.769 9.456 -10.592 696 1H6B ROM 111 1H6B ROM 111 -8.976 11.450 -9.821 697 3H6B ROM 111 3H6B ROM 111 -7.919 11.517 -8.412 698 2H6B ROM 111 2H6B ROM 111 -7.224 11.432 -10.031 699 1H6A ROM 111 1H6A ROM 111 -6.172 9.236 -10.310 700 3H6A ROM 111 3H6A ROM 111 -6.027 9.663 -8.608 701 2H6A ROM 111 2H6A ROM 111 -6.560 8.050 -9.069 702 1H4B ROM 111 1H4B ROM 111 -6.905 8.838 -13.388 703 3H4B ROM 111 3H4B ROM 111 -6.516 8.164 -11.795 704 2H4B ROM 111 2H4B ROM 111 -7.952 7.603 -12.670 705 1H4A ROM 111 1H4A ROM 111 -10.026 9.495 -12.629 706 3H4A ROM 111 3H4A ROM 111 -9.239 11.083 -12.550 707 2H4A ROM 111 2H4A ROM 111 -8.729 9.899 -13.766 708 H'8 ROM 111 H'8 ROM 111 0.487 6.202 -7.466 709 H'6 ROM 111 H'6 ROM 111 0.184 8.106 -11.279 710 1H3A ROM 111 1H3A ROM 111 -2.934 6.078 -14.438 711 2H3A ROM 111 2H3A ROM 111 -4.628 6.148 -13.696 712 1H7A ROM 111 1H7A ROM 111 2.473 6.770 -7.642 713 3H7A ROM 111 3H7A ROM 111 2.599 6.144 -9.286 714 2H7A ROM 111 2H7A ROM 111 3.610 7.497 -8.779 715 H3 ROM 111 H3 ROM 111 -4.614 6.578 -6.694 716 H6 ROM 111 H6 ROM 111 -7.723 3.394 -4.553 717 H5 ROM 111 H5 ROM 111 -5.479 2.610 -5.266 718 H12 ROM 111 H12 ROM 111 -5.628 8.990 -5.929 719 H8 ROM 111 H8 ROM 111 -9.545 5.487 -5.294 720 H13 ROM 111 H13 ROM 111 -3.534 3.132 -6.878 721 H10 ROM 111 H10 ROM 111 -9.533 8.968 -4.279 722 H11 ROM 111 H11 ROM 111 -7.338 10.372 -4.582 723 2H14 ROM 111 2H14 ROM 111 -2.023 3.027 -5.186 724 1H14 ROM 111 1H14 ROM 111 -1.960 4.785 -5.015 725 2H17 ROM 111 2H17 ROM 111 -4.187 2.635 -1.990 726 1H17 ROM 111 1H17 ROM 111 -2.729 2.910 -1.039 727 H18 ROM 111 H18 ROM 111 -3.626 5.216 -0.515 728 H20 ROM 111 H20 ROM 111 -6.537 3.047 -1.245 729 H24 ROM 111 H24 ROM 111 -4.733 6.866 -1.773 730 4H18 ROM 111 4H18 ROM 111 -5.215 4.200 1.087 Start of MODEL 27 1 1H ALA 1 1H ALA 1 -16.852 -9.873 3.953 2 2H ALA 1 2H ALA 1 -18.191 -9.411 3.015 3 3H ALA 1 3H ALA 1 -17.839 -8.587 4.458 4 HA ALA 1 HA ALA 1 -17.142 -7.260 2.555 5 1HB ALA 1 1HB ALA 1 -15.826 -7.896 4.878 6 2HB ALA 1 2HB ALA 1 -15.331 -6.608 3.780 7 3HB ALA 1 3HB ALA 1 -14.576 -8.198 3.672 8 HA PRO 2 HA PRO 2 -15.470 -9.332 -0.924 9 1HB PRO 2 2HB PRO 2 -13.867 -7.387 -1.996 10 2HB PRO 2 1HB PRO 2 -15.640 -7.338 -2.082 11 1HG PRO 2 2HG PRO 2 -13.797 -5.883 -0.257 12 2HG PRO 2 1HG PRO 2 -15.302 -5.339 -1.016 13 1HD PRO 2 2HD PRO 2 -15.123 -6.135 1.599 14 2HD PRO 2 1HD PRO 2 -16.609 -6.239 0.632 15 H ALA 3 H ALA 3 -12.995 -9.303 -2.081 16 HA ALA 3 HA ALA 3 -10.871 -9.415 -0.056 17 1HB ALA 3 1HB ALA 3 -11.696 -11.491 0.539 18 2HB ALA 3 2HB ALA 3 -10.644 -11.973 -0.793 19 3HB ALA 3 3HB ALA 3 -12.378 -11.791 -1.060 20 H PHE 4 H PHE 4 -8.805 -9.599 -1.014 21 HA PHE 4 HA PHE 4 -8.734 -9.659 -4.017 22 1HB PHE 4 2HB PHE 4 -8.493 -7.388 -3.137 23 2HB PHE 4 1HB PHE 4 -7.251 -7.927 -2.010 24 HD1 PHE 4 HD1 PHE 4 -5.078 -7.409 -2.613 25 HD2 PHE 4 HD2 PHE 4 -7.952 -8.268 -5.682 26 HE1 PHE 4 HE1 PHE 4 -3.344 -7.035 -4.342 27 HE2 PHE 4 HE2 PHE 4 -6.221 -7.889 -7.412 28 HZ PHE 4 HZ PHE 4 -3.911 -7.275 -6.742 29 H SER 5 H SER 5 -7.444 -11.388 -4.690 30 HA SER 5 HA SER 5 -5.052 -12.033 -3.017 31 1HB SER 5 2HB SER 5 -5.961 -14.511 -3.650 32 2HB SER 5 1HB SER 5 -6.349 -13.687 -2.144 33 HG SER 5 HG SER 5 -7.871 -13.922 -4.513 34 H VAL 6 H VAL 6 -3.433 -13.252 -4.126 35 HA VAL 6 HA VAL 6 -3.654 -13.252 -7.118 36 HB VAL 6 HB VAL 6 -2.255 -11.447 -6.157 37 1HG1 VAL 6 1HG1 VAL 6 -1.619 -12.385 -4.048 38 2HG1 VAL 6 2HG1 VAL 6 -0.127 -12.207 -4.972 39 3HG1 VAL 6 3HG1 VAL 6 -0.887 -13.791 -4.820 40 1HG2 VAL 6 1HG2 VAL 6 -0.947 -13.707 -7.642 41 2HG2 VAL 6 2HG2 VAL 6 -0.009 -12.285 -7.203 42 3HG2 VAL 6 3HG2 VAL 6 -1.424 -12.126 -8.244 43 H SER 7 H SER 7 -2.214 -14.982 -8.127 44 HA SER 7 HA SER 7 -2.491 -17.505 -6.793 45 1HB SER 7 2HB SER 7 -2.304 -17.911 -9.010 46 2HB SER 7 1HB SER 7 -1.412 -16.421 -9.296 47 HG SER 7 HG SER 7 0.185 -17.794 -9.555 48 HA PRO 8 HA PRO 8 1.967 -17.403 -5.479 49 1HB PRO 8 2HB PRO 8 3.865 -15.925 -6.759 50 2HB PRO 8 1HB PRO 8 3.276 -17.477 -7.385 51 1HG PRO 8 2HG PRO 8 2.818 -14.787 -8.408 52 2HG PRO 8 1HG PRO 8 2.552 -16.345 -9.196 53 1HD PRO 8 2HD PRO 8 0.614 -14.610 -7.910 54 2HD PRO 8 1HD PRO 8 0.344 -16.070 -8.857 55 H ALA 9 H ALA 9 3.904 -15.722 -4.622 56 HA ALA 9 HA ALA 9 3.338 -12.990 -4.186 57 1HB ALA 9 1HB ALA 9 1.579 -12.998 -2.775 58 2HB ALA 9 2HB ALA 9 2.462 -14.033 -1.655 59 3HB ALA 9 3HB ALA 9 1.487 -14.751 -2.935 60 H SER 10 H SER 10 5.563 -14.949 -4.296 61 HA SER 10 HA SER 10 7.237 -13.810 -2.214 62 1HB SER 10 2HB SER 10 7.004 -15.401 -0.614 63 2HB SER 10 1HB SER 10 5.613 -15.989 -1.518 64 HG SER 10 HG SER 10 8.301 -16.859 -1.577 65 H GLY 11 H GLY 11 9.499 -14.656 -2.417 66 1HA GLY 11 2HA GLY 11 11.307 -15.107 -3.871 67 2HA GLY 11 1HA GLY 11 10.440 -16.622 -4.134 68 H LEU 12 H LEU 12 9.486 -13.311 -5.009 69 HA LEU 12 HA LEU 12 8.761 -14.182 -7.711 70 1HB LEU 12 2HB LEU 12 8.799 -11.445 -6.413 71 2HB LEU 12 1HB LEU 12 7.906 -11.902 -7.865 72 HG LEU 12 HG LEU 12 7.493 -13.057 -5.096 73 1HD1 LEU 12 1HD1 LEU 12 6.636 -10.640 -6.005 74 2HD1 LEU 12 2HD1 LEU 12 5.736 -11.621 -4.849 75 3HD1 LEU 12 3HD1 LEU 12 5.322 -11.675 -6.563 76 1HD2 LEU 12 1HD2 LEU 12 6.174 -13.598 -7.770 77 2HD2 LEU 12 2HD2 LEU 12 5.516 -14.137 -6.225 78 3HD2 LEU 12 3HD2 LEU 12 7.076 -14.744 -6.779 79 H SER 13 H SER 13 9.369 -12.071 -9.276 80 HA SER 13 HA SER 13 12.204 -11.332 -9.126 81 1HB SER 13 2HB SER 13 11.148 -13.617 -10.693 82 2HB SER 13 1HB SER 13 12.233 -12.546 -11.574 83 HG SER 13 HG SER 13 13.200 -14.342 -10.321 84 H ASP 14 H ASP 14 12.561 -9.511 -10.475 85 HA ASP 14 HA ASP 14 10.401 -7.916 -11.318 86 1HB ASP 14 2HB ASP 14 12.176 -6.742 -12.644 87 2HB ASP 14 1HB ASP 14 12.680 -7.110 -10.996 88 H GLY 15 H GLY 15 9.264 -7.702 -13.274 89 1HA GLY 15 2HA GLY 15 8.753 -8.123 -15.574 90 2HA GLY 15 1HA GLY 15 10.055 -9.304 -15.617 91 H GLN 16 H GLN 16 9.009 -10.554 -13.107 92 HA GLN 16 HA GLN 16 7.462 -12.653 -14.227 93 1HB GLN 16 2HB GLN 16 8.856 -12.482 -12.067 94 2HB GLN 16 1HB GLN 16 7.412 -11.779 -11.343 95 1HG GLN 16 2HG GLN 16 6.118 -13.786 -12.012 96 2HG GLN 16 1HG GLN 16 7.589 -14.498 -12.672 97 1HE2 GLN 16 1HE2 GLN 16 6.107 -15.700 -10.506 98 2HE2 GLN 16 2HE2 GLN 16 7.089 -15.660 -9.126 99 H SER 17 H SER 17 5.257 -12.928 -14.492 100 HA SER 17 HA SER 17 3.484 -10.680 -13.604 101 1HB SER 17 2HB SER 17 3.066 -12.697 -15.823 102 2HB SER 17 1HB SER 17 2.161 -11.210 -15.561 103 HG SER 17 HG SER 17 3.844 -11.079 -17.183 104 H VAL 18 H VAL 18 2.129 -11.241 -11.949 105 HA VAL 18 HA VAL 18 1.588 -14.128 -11.447 106 HB VAL 18 HB VAL 18 0.906 -13.255 -9.222 107 1HG1 VAL 18 1HG1 VAL 18 3.499 -11.899 -9.904 108 2HG1 VAL 18 2HG1 VAL 18 3.374 -13.652 -10.046 109 3HG1 VAL 18 3HG1 VAL 18 3.088 -12.873 -8.491 110 1HG2 VAL 18 1HG2 VAL 18 0.564 -10.863 -10.668 111 2HG2 VAL 18 2HG2 VAL 18 1.941 -10.565 -9.605 112 3HG2 VAL 18 3HG2 VAL 18 0.395 -11.072 -8.925 113 H SER 19 H SER 19 -0.605 -14.843 -11.097 114 HA SER 19 HA SER 19 -2.602 -13.373 -12.702 115 1HB SER 19 2HB SER 19 -2.468 -16.053 -11.310 116 2HB SER 19 1HB SER 19 -3.915 -15.497 -12.147 117 HG SER 19 HG SER 19 -2.634 -16.694 -13.558 118 H VAL 20 H VAL 20 -3.441 -11.652 -11.503 119 HA VAL 20 HA VAL 20 -4.120 -12.063 -8.651 120 HB VAL 20 HB VAL 20 -4.200 -9.705 -10.553 121 1HG1 VAL 20 1HG1 VAL 20 -5.868 -9.243 -8.942 122 2HG1 VAL 20 2HG1 VAL 20 -4.427 -8.447 -8.309 123 3HG1 VAL 20 3HG1 VAL 20 -4.943 -9.998 -7.644 124 1HG2 VAL 20 1HG2 VAL 20 -1.949 -10.592 -9.861 125 2HG2 VAL 20 2HG2 VAL 20 -2.400 -10.310 -8.181 126 3HG2 VAL 20 3HG2 VAL 20 -2.252 -8.952 -9.293 127 H SER 21 H SER 21 -6.338 -11.183 -7.976 128 HA SER 21 HA SER 21 -8.498 -11.133 -9.919 129 1HB SER 21 2HB SER 21 -8.211 -13.449 -10.132 130 2HB SER 21 1HB SER 21 -7.752 -13.645 -8.443 131 HG SER 21 HG SER 21 -9.903 -13.214 -7.877 132 H VAL 22 H VAL 22 -9.829 -9.677 -8.917 133 HA VAL 22 HA VAL 22 -9.988 -9.649 -5.952 134 HB VAL 22 HB VAL 22 -11.171 -7.713 -7.949 135 1HG1 VAL 22 1HG1 VAL 22 -10.113 -7.317 -5.136 136 2HG1 VAL 22 2HG1 VAL 22 -11.812 -7.578 -5.525 137 3HG1 VAL 22 3HG1 VAL 22 -10.984 -6.136 -6.112 138 1HG2 VAL 22 1HG2 VAL 22 -8.393 -8.338 -7.523 139 2HG2 VAL 22 2HG2 VAL 22 -8.721 -6.711 -6.924 140 3HG2 VAL 22 3HG2 VAL 22 -9.095 -7.129 -8.596 141 H SER 23 H SER 23 -12.133 -9.574 -4.949 142 HA SER 23 HA SER 23 -14.452 -10.302 -6.650 143 1HB SER 23 2HB SER 23 -14.824 -12.353 -5.288 144 2HB SER 23 1HB SER 23 -13.299 -12.419 -6.166 145 HG SER 23 HG SER 23 -12.283 -12.435 -4.326 146 H GLY 24 H GLY 24 -16.474 -10.447 -5.216 147 1HA GLY 24 2HA GLY 24 -17.717 -9.782 -3.286 148 2HA GLY 24 1HA GLY 24 -16.243 -9.096 -2.606 149 H ALA 25 H ALA 25 -15.761 -7.704 -5.287 150 HA ALA 25 HA ALA 25 -16.887 -5.167 -4.597 151 1HB ALA 25 1HB ALA 25 -15.259 -6.415 -6.685 152 2HB ALA 25 2HB ALA 25 -15.165 -4.779 -6.031 153 3HB ALA 25 3HB ALA 25 -16.293 -5.145 -7.336 154 H ALA 26 H ALA 26 -17.943 -4.314 -7.180 155 HA ALA 26 HA ALA 26 -20.314 -6.021 -7.681 156 1HB ALA 26 1HB ALA 26 -21.661 -3.790 -7.252 157 2HB ALA 26 2HB ALA 26 -20.258 -3.380 -6.264 158 3HB ALA 26 3HB ALA 26 -21.209 -4.818 -5.892 159 H ALA 27 H ALA 27 -21.053 -5.786 -9.762 160 HA ALA 27 HA ALA 27 -19.539 -4.477 -11.754 161 1HB ALA 27 1HB ALA 27 -21.732 -6.183 -11.556 162 2HB ALA 27 2HB ALA 27 -21.006 -5.606 -13.058 163 3HB ALA 27 3HB ALA 27 -22.382 -4.753 -12.358 164 H GLY 28 H GLY 28 -19.620 -2.418 -12.590 165 1HA GLY 28 2HA GLY 28 -21.016 -0.424 -13.146 166 2HA GLY 28 1HA GLY 28 -21.724 -0.592 -11.541 167 H GLU 29 H GLU 29 -18.476 -1.346 -11.325 168 HA GLU 29 HA GLU 29 -17.615 1.481 -10.931 169 1HB GLU 29 2HB GLU 29 -17.900 -0.690 -8.856 170 2HB GLU 29 1HB GLU 29 -16.746 0.625 -8.631 171 1HG GLU 29 2HG GLU 29 -18.715 2.206 -9.154 172 2HG GLU 29 1HG GLU 29 -19.748 0.800 -8.889 173 H THR 30 H THR 30 -15.309 1.715 -10.926 174 HA THR 30 HA THR 30 -13.816 -0.718 -11.847 175 HB THR 30 HB THR 30 -13.422 2.219 -12.481 176 HG1 THR 30 HG1 THR 30 -15.239 1.370 -13.489 177 1HG2 THR 30 1HG2 THR 30 -12.163 -0.047 -13.983 178 2HG2 THR 30 2HG2 THR 30 -11.435 0.484 -12.467 179 3HG2 THR 30 3HG2 THR 30 -11.609 1.618 -13.806 180 H TYR 31 H TYR 31 -12.091 -1.303 -10.596 181 HA TYR 31 HA TYR 31 -11.298 0.513 -8.368 182 1HB TYR 31 2HB TYR 31 -10.865 -2.434 -8.930 183 2HB TYR 31 1HB TYR 31 -10.339 -1.607 -7.464 184 HD1 TYR 31 HD1 TYR 31 -11.877 -1.050 -5.724 185 HD2 TYR 31 HD2 TYR 31 -13.307 -2.588 -9.470 186 HE1 TYR 31 HE1 TYR 31 -14.131 -1.349 -4.740 187 HE2 TYR 31 HE2 TYR 31 -15.563 -2.887 -8.486 188 HH TYR 31 HH TYR 31 -16.677 -1.445 -5.975 189 H TYR 32 H TYR 32 -8.867 0.271 -7.801 190 HA TYR 32 HA TYR 32 -7.222 0.184 -10.303 191 1HB TYR 32 2HB TYR 32 -7.083 2.157 -7.996 192 2HB TYR 32 1HB TYR 32 -6.049 2.173 -9.424 193 HD1 TYR 32 HD1 TYR 32 -9.609 2.407 -8.323 194 HD2 TYR 32 HD2 TYR 32 -6.752 3.228 -11.424 195 HE1 TYR 32 HE1 TYR 32 -11.315 3.733 -9.544 196 HE2 TYR 32 HE2 TYR 32 -8.457 4.554 -12.645 197 HH TYR 32 HH TYR 32 -11.525 4.354 -12.310 198 H ILE 33 H ILE 33 -5.971 -1.631 -9.965 199 HA ILE 33 HA ILE 33 -4.968 -2.224 -7.225 200 HB ILE 33 HB ILE 33 -6.108 -3.874 -8.828 201 1HG1 ILE 33 2HG1 ILE 33 -4.817 -4.592 -6.849 202 2HG1 ILE 33 1HG1 ILE 33 -4.586 -5.714 -8.189 203 1HG2 ILE 33 1HG2 ILE 33 -5.034 -3.280 -10.898 204 2HG2 ILE 33 2HG2 ILE 33 -4.496 -4.907 -10.481 205 3HG2 ILE 33 3HG2 ILE 33 -3.433 -3.531 -10.207 206 1HD1 ILE 33 1HD1 ILE 33 -2.376 -5.429 -7.656 207 2HD1 ILE 33 2HD1 ILE 33 -2.648 -3.850 -6.922 208 3HD1 ILE 33 3HD1 ILE 33 -2.545 -4.004 -8.673 209 H ALA 34 H ALA 34 -2.777 -1.996 -6.706 210 HA ALA 34 HA ALA 34 -0.771 -1.703 -8.850 211 1HB ALA 34 1HB ALA 34 -0.585 0.564 -8.779 212 2HB ALA 34 2HB ALA 34 -0.776 0.610 -7.027 213 3HB ALA 34 3HB ALA 34 -2.197 0.514 -8.068 214 H GLN 35 H GLN 35 1.416 -1.730 -8.008 215 HA GLN 35 HA GLN 35 1.600 -2.894 -5.270 216 1HB GLN 35 2HB GLN 35 2.531 -4.153 -7.146 217 2HB GLN 35 1HB GLN 35 3.471 -2.751 -7.655 218 1HG GLN 35 2HG GLN 35 4.394 -2.903 -5.165 219 2HG GLN 35 1HG GLN 35 3.916 -4.592 -5.342 220 1HE2 GLN 35 1HE2 GLN 35 4.937 -5.837 -7.130 221 2HE2 GLN 35 2HE2 GLN 35 6.420 -5.325 -7.781 222 H CYS 36 H CYS 36 2.537 -1.698 -3.623 223 HA CYS 36 HA CYS 36 4.226 0.653 -4.384 224 1HB CYS 36 2HB CYS 36 2.320 0.987 -2.108 225 2HB CYS 36 1HB CYS 36 2.839 2.165 -3.302 226 H ALA 37 H ALA 37 5.623 1.374 -2.614 227 HA ALA 37 HA ALA 37 5.935 -0.558 -0.358 228 1HB ALA 37 1HB ALA 37 8.486 0.365 -1.257 229 2HB ALA 37 2HB ALA 37 7.591 -0.191 -2.672 230 3HB ALA 37 3HB ALA 37 7.855 -1.280 -1.311 231 HA PRO 38 HA PRO 38 6.305 3.141 1.991 232 1HB PRO 38 2HB PRO 38 7.844 2.252 4.072 233 2HB PRO 38 1HB PRO 38 6.129 1.840 3.885 234 1HG PRO 38 2HG PRO 38 8.543 0.227 3.213 235 2HG PRO 38 1HG PRO 38 7.010 -0.288 3.936 236 1HD PRO 38 2HD PRO 38 7.615 -0.674 1.309 237 2HD PRO 38 1HD PRO 38 5.952 -0.450 1.900 238 H VAL 39 H VAL 39 7.955 4.706 2.785 239 HA VAL 39 HA VAL 39 10.690 4.285 1.657 240 HB VAL 39 HB VAL 39 8.904 6.690 1.262 241 1HG1 VAL 39 1HG1 VAL 39 11.713 6.047 0.344 242 2HG1 VAL 39 2HG1 VAL 39 11.198 7.405 1.346 243 3HG1 VAL 39 3HG1 VAL 39 10.740 7.342 -0.355 244 1HG2 VAL 39 1HG2 VAL 39 8.745 5.990 -1.049 245 2HG2 VAL 39 2HG2 VAL 39 8.298 4.611 -0.043 246 3HG2 VAL 39 3HG2 VAL 39 9.899 4.684 -0.780 247 H GLY 40 H GLY 40 10.582 3.955 4.234 248 1HA GLY 40 2HA GLY 40 11.001 4.834 6.395 249 2HA GLY 40 1HA GLY 40 12.220 5.752 5.511 250 H GLY 41 H GLY 41 8.797 6.190 4.885 251 1HA GLY 41 2HA GLY 41 8.520 8.476 6.671 252 2HA GLY 41 1HA GLY 41 8.745 8.952 4.987 253 H GLN 42 H GLN 42 7.179 8.067 3.400 254 HA GLN 42 HA GLN 42 4.528 7.470 4.674 255 1HB GLN 42 2HB GLN 42 3.581 8.812 2.831 256 2HB GLN 42 1HB GLN 42 4.770 9.749 3.737 257 1HG GLN 42 2HG GLN 42 6.442 9.434 2.064 258 2HG GLN 42 1HG GLN 42 5.495 8.184 1.256 259 1HE2 GLN 42 1HE2 GLN 42 6.318 11.420 1.027 260 2HE2 GLN 42 2HE2 GLN 42 4.995 11.968 0.116 261 H ASP 43 H ASP 43 3.426 7.211 1.895 262 HA ASP 43 HA ASP 43 4.601 4.532 1.199 263 1HB ASP 43 2HB ASP 43 2.057 5.267 2.150 264 2HB ASP 43 1HB ASP 43 1.831 4.944 0.431 265 H ALA 44 H ALA 44 5.032 4.180 -0.970 266 HA ALA 44 HA ALA 44 4.143 6.257 -2.944 267 1HB ALA 44 1HB ALA 44 6.335 6.879 -2.892 268 2HB ALA 44 2HB ALA 44 6.630 5.398 -3.801 269 3HB ALA 44 3HB ALA 44 6.814 5.408 -2.047 270 H CYS 45 H CYS 45 3.522 5.372 -4.970 271 HA CYS 45 HA CYS 45 3.798 2.388 -5.227 272 1HB CYS 45 2HB CYS 45 1.518 3.645 -4.710 273 2HB CYS 45 1HB CYS 45 1.540 3.921 -6.451 274 H ASN 46 H ASN 46 3.657 1.632 -7.540 275 HA ASN 46 HA ASN 46 5.291 3.385 -9.283 276 1HB ASN 46 2HB ASN 46 5.764 0.953 -8.846 277 2HB ASN 46 1HB ASN 46 4.256 0.559 -9.676 278 1HD2 ASN 46 1HD2 ASN 46 6.875 -0.273 -10.641 279 2HD2 ASN 46 2HD2 ASN 46 7.138 0.499 -12.130 280 HA PRO 47 HA PRO 47 1.571 4.482 -11.466 281 1HB PRO 47 2HB PRO 47 2.732 6.270 -13.168 282 2HB PRO 47 1HB PRO 47 2.364 6.642 -11.474 283 1HG PRO 47 2HG PRO 47 4.961 6.081 -12.752 284 2HG PRO 47 1HG PRO 47 4.596 7.018 -11.297 285 1HD PRO 47 2HD PRO 47 5.605 4.378 -11.399 286 2HD PRO 47 1HD PRO 47 5.013 5.239 -9.962 287 H ALA 48 H ALA 48 4.581 3.564 -13.090 288 HA ALA 48 HA ALA 48 3.533 3.169 -15.717 289 1HB ALA 48 1HB ALA 48 5.573 1.355 -15.435 290 2HB ALA 48 2HB ALA 48 5.901 2.473 -14.112 291 3HB ALA 48 3HB ALA 48 5.804 3.071 -15.769 292 H THR 49 H THR 49 3.425 1.147 -12.835 293 HA THR 49 HA THR 49 2.290 -1.105 -14.431 294 HB THR 49 HB THR 49 2.702 -2.357 -12.312 295 HG1 THR 49 HG1 THR 49 3.920 0.028 -11.425 296 1HG2 THR 49 1HG2 THR 49 4.466 -2.198 -14.023 297 2HG2 THR 49 2HG2 THR 49 5.161 -2.224 -12.403 298 3HG2 THR 49 3HG2 THR 49 5.046 -0.703 -13.288 299 H ALA 50 H ALA 50 1.164 1.589 -12.873 300 HA ALA 50 HA ALA 50 -0.989 0.539 -11.266 301 1HB ALA 50 1HB ALA 50 -0.485 2.752 -10.809 302 2HB ALA 50 2HB ALA 50 -1.819 2.998 -11.933 303 3HB ALA 50 3HB ALA 50 -0.154 3.129 -12.499 304 H THR 51 H THR 51 -2.819 -0.470 -12.019 305 HA THR 51 HA THR 51 -3.859 0.297 -14.719 306 HB THR 51 HB THR 51 -2.490 -1.757 -14.853 307 HG1 THR 51 HG1 THR 51 -3.981 -2.194 -16.254 308 1HG2 THR 51 1HG2 THR 51 -4.442 -2.774 -12.773 309 2HG2 THR 51 2HG2 THR 51 -2.716 -2.497 -12.538 310 3HG2 THR 51 3HG2 THR 51 -3.264 -3.776 -13.622 311 H SER 52 H SER 52 -6.134 0.189 -14.894 312 HA SER 52 HA SER 52 -7.599 -0.235 -12.316 313 1HB SER 52 2HB SER 52 -9.155 1.386 -13.188 314 2HB SER 52 1HB SER 52 -7.541 2.023 -13.494 315 HG SER 52 HG SER 52 -9.398 0.866 -15.269 316 H PHE 53 H PHE 53 -9.519 -1.523 -12.367 317 HA PHE 53 HA PHE 53 -10.185 -2.887 -14.934 318 1HB PHE 53 2HB PHE 53 -10.110 -5.065 -13.680 319 2HB PHE 53 1HB PHE 53 -8.535 -4.286 -13.818 320 HD1 PHE 53 HD1 PHE 53 -7.897 -2.647 -11.855 321 HD2 PHE 53 HD2 PHE 53 -10.867 -5.737 -11.575 322 HE1 PHE 53 HE1 PHE 53 -7.696 -2.618 -9.383 323 HE2 PHE 53 HE2 PHE 53 -10.665 -5.707 -9.104 324 HZ PHE 53 HZ PHE 53 -9.080 -4.147 -8.008 325 H THR 54 H THR 54 -12.387 -3.018 -15.162 326 HA THR 54 HA THR 54 -14.109 -2.202 -12.903 327 HB THR 54 HB THR 54 -14.836 -2.947 -15.743 328 HG1 THR 54 HG1 THR 54 -13.205 -1.353 -15.698 329 1HG2 THR 54 1HG2 THR 54 -16.289 -0.758 -14.542 330 2HG2 THR 54 2HG2 THR 54 -16.356 -2.176 -13.498 331 3HG2 THR 54 3HG2 THR 54 -16.907 -2.287 -15.168 332 H THR 55 H THR 55 -15.800 -3.527 -12.071 333 HA THR 55 HA THR 55 -15.263 -6.425 -12.239 334 HB THR 55 HB THR 55 -17.386 -6.243 -10.622 335 HG1 THR 55 HG1 THR 55 -17.965 -4.192 -10.739 336 1HG2 THR 55 1HG2 THR 55 -14.856 -6.706 -10.169 337 2HG2 THR 55 2HG2 THR 55 -15.878 -6.178 -8.834 338 3HG2 THR 55 3HG2 THR 55 -14.816 -5.024 -9.639 339 H ASP 56 H ASP 56 -17.196 -7.910 -12.530 340 HA ASP 56 HA ASP 56 -18.856 -6.951 -14.827 341 1HB ASP 56 2HB ASP 56 -17.928 -9.677 -13.876 342 2HB ASP 56 1HB ASP 56 -19.017 -9.438 -15.243 343 H ALA 57 H ALA 57 -20.806 -9.011 -14.672 344 HA ALA 57 HA ALA 57 -22.650 -7.921 -12.763 345 1HB ALA 57 1HB ALA 57 -22.683 -10.614 -14.151 346 2HB ALA 57 2HB ALA 57 -23.151 -9.100 -14.925 347 3HB ALA 57 3HB ALA 57 -24.082 -9.717 -13.558 348 H SER 58 H SER 58 -20.165 -10.291 -12.455 349 HA SER 58 HA SER 58 -21.374 -11.424 -9.978 350 1HB SER 58 2HB SER 58 -20.519 -13.169 -11.227 351 2HB SER 58 1HB SER 58 -19.279 -12.164 -11.971 352 HG SER 58 HG SER 58 -18.933 -13.828 -10.025 353 H GLY 59 H GLY 59 -19.942 -8.675 -10.527 354 1HA GLY 59 2HA GLY 59 -18.338 -7.319 -9.438 355 2HA GLY 59 1HA GLY 59 -18.966 -8.112 -7.995 356 H ALA 60 H ALA 60 -17.229 -9.725 -10.623 357 HA ALA 60 HA ALA 60 -14.896 -10.108 -8.782 358 1HB ALA 60 1HB ALA 60 -15.161 -12.506 -10.118 359 2HB ALA 60 2HB ALA 60 -16.841 -12.029 -9.866 360 3HB ALA 60 3HB ALA 60 -15.755 -12.193 -8.486 361 H ALA 61 H ALA 61 -12.939 -9.898 -9.835 362 HA ALA 61 HA ALA 61 -12.907 -10.073 -12.823 363 1HB ALA 61 1HB ALA 61 -12.916 -7.730 -11.356 364 2HB ALA 61 2HB ALA 61 -12.299 -7.888 -13.000 365 3HB ALA 61 3HB ALA 61 -11.195 -8.003 -11.628 366 H SER 62 H SER 62 -10.931 -10.808 -13.678 367 HA SER 62 HA SER 62 -8.712 -11.408 -11.775 368 1HB SER 62 2HB SER 62 -10.340 -13.299 -13.465 369 2HB SER 62 1HB SER 62 -8.683 -13.705 -13.027 370 HG SER 62 HG SER 62 -10.422 -14.408 -11.550 371 H PHE 63 H PHE 63 -6.748 -10.899 -12.731 372 HA PHE 63 HA PHE 63 -6.502 -11.049 -15.685 373 1HB PHE 63 2HB PHE 63 -5.783 -8.632 -15.708 374 2HB PHE 63 1HB PHE 63 -7.485 -8.867 -15.305 375 HD1 PHE 63 HD1 PHE 63 -8.197 -8.852 -12.868 376 HD2 PHE 63 HD2 PHE 63 -4.276 -7.651 -14.149 377 HE1 PHE 63 HE1 PHE 63 -7.828 -7.715 -10.694 378 HE2 PHE 63 HE2 PHE 63 -3.906 -6.514 -11.976 379 HZ PHE 63 HZ PHE 63 -5.686 -6.548 -10.247 380 H SER 64 H SER 64 -4.181 -10.249 -16.282 381 HA SER 64 HA SER 64 -2.294 -11.477 -14.331 382 1HB SER 64 2HB SER 64 -0.850 -11.164 -16.543 383 2HB SER 64 1HB SER 64 -2.025 -12.471 -16.416 384 HG SER 64 HG SER 64 -3.373 -11.397 -17.706 385 H PHE 65 H PHE 65 -0.991 -10.136 -13.145 386 HA PHE 65 HA PHE 65 -0.518 -7.360 -14.149 387 1HB PHE 65 2HB PHE 65 -2.002 -7.316 -12.261 388 2HB PHE 65 1HB PHE 65 -1.007 -8.479 -11.382 389 HD1 PHE 65 HD1 PHE 65 -0.442 -5.234 -13.196 390 HD2 PHE 65 HD2 PHE 65 0.235 -7.569 -9.658 391 HE1 PHE 65 HE1 PHE 65 0.886 -3.380 -12.229 392 HE2 PHE 65 HE2 PHE 65 1.561 -5.718 -8.689 393 HZ PHE 65 HZ PHE 65 1.897 -3.624 -9.973 394 H VAL 66 H VAL 66 1.628 -6.923 -14.496 395 HA VAL 66 HA VAL 66 3.676 -8.866 -13.689 396 HB VAL 66 HB VAL 66 3.947 -6.178 -15.044 397 1HG1 VAL 66 1HG1 VAL 66 5.730 -8.475 -14.501 398 2HG1 VAL 66 2HG1 VAL 66 6.134 -6.783 -14.794 399 3HG1 VAL 66 3HG1 VAL 66 5.792 -7.856 -16.151 400 1HG2 VAL 66 1HG2 VAL 66 2.318 -8.118 -15.979 401 2HG2 VAL 66 2HG2 VAL 66 3.852 -8.704 -16.615 402 3HG2 VAL 66 3HG2 VAL 66 3.276 -7.094 -17.044 403 H VAL 67 H VAL 67 5.676 -8.105 -12.590 404 HA VAL 67 HA VAL 67 5.154 -5.890 -10.643 405 HB VAL 67 HB VAL 67 6.351 -7.416 -8.998 406 1HG1 VAL 67 1HG1 VAL 67 4.170 -9.133 -9.427 407 2HG1 VAL 67 2HG1 VAL 67 3.659 -7.570 -10.066 408 3HG1 VAL 67 3HG1 VAL 67 4.201 -7.704 -8.394 409 1HG2 VAL 67 1HG2 VAL 67 6.845 -8.886 -11.349 410 2HG2 VAL 67 2HG2 VAL 67 5.661 -9.840 -10.455 411 3HG2 VAL 67 3HG2 VAL 67 7.192 -9.398 -9.697 412 H ARG 68 H ARG 68 7.280 -5.145 -9.623 413 HA ARG 68 HA ARG 68 9.641 -5.614 -11.385 414 1HB ARG 68 2HB ARG 68 8.019 -3.164 -11.019 415 2HB ARG 68 1HB ARG 68 9.769 -2.930 -10.981 416 1HG ARG 68 2HG ARG 68 10.039 -3.541 -13.176 417 2HG ARG 68 1HG ARG 68 8.706 -4.695 -13.126 418 1HD ARG 68 2HD ARG 68 7.606 -3.086 -14.340 419 2HD ARG 68 1HD ARG 68 7.370 -2.329 -12.752 420 HE ARG 68 HE ARG 68 9.323 -0.926 -13.185 421 1HH1 ARG 68 1HH1 ARG 68 7.457 -1.497 -15.797 422 2HH1 ARG 68 2HH1 ARG 68 8.682 -1.276 -17.000 423 1HH2 ARG 68 1HH2 ARG 68 11.294 -1.270 -14.718 424 2HH2 ARG 68 2HH2 ARG 68 10.855 -1.147 -16.389 425 H LYS 69 H LYS 69 10.993 -6.474 -9.852 426 HA LYS 69 HA LYS 69 11.088 -6.147 -7.111 427 1HB LYS 69 2HB LYS 69 12.486 -7.679 -8.400 428 2HB LYS 69 1HB LYS 69 13.368 -6.320 -9.099 429 1HG LYS 69 2HG LYS 69 14.017 -5.645 -6.758 430 2HG LYS 69 1HG LYS 69 13.316 -7.161 -6.194 431 1HD LYS 69 2HD LYS 69 14.942 -8.462 -7.243 432 2HD LYS 69 1HD LYS 69 15.334 -7.203 -8.415 433 1HE LYS 69 2HE LYS 69 16.057 -5.863 -6.229 434 2HE LYS 69 1HE LYS 69 16.264 -7.503 -5.585 435 1HZ LYS 69 1HZ LYS 69 17.346 -6.569 -8.188 436 2HZ LYS 69 2HZ LYS 69 17.614 -8.082 -7.463 437 3HZ LYS 69 3HZ LYS 69 18.257 -6.674 -6.763 438 H SER 70 H SER 70 11.982 -3.759 -9.515 439 HA SER 70 HA SER 70 12.548 -1.824 -7.313 440 1HB SER 70 2HB SER 70 14.350 -2.015 -9.715 441 2HB SER 70 1HB SER 70 14.684 -1.294 -8.144 442 HG SER 70 HG SER 70 15.702 -3.265 -8.202 443 H TYR 71 H TYR 71 11.972 0.307 -7.865 444 HA TYR 71 HA TYR 71 11.544 1.239 -10.559 445 1HB TYR 71 2HB TYR 71 9.105 1.104 -10.614 446 2HB TYR 71 1HB TYR 71 9.761 -0.509 -10.325 447 HD1 TYR 71 HD1 TYR 71 8.350 2.485 -8.605 448 HD2 TYR 71 HD2 TYR 71 9.215 -1.715 -8.366 449 HE1 TYR 71 HE1 TYR 71 7.084 2.347 -6.477 450 HE2 TYR 71 HE2 TYR 71 7.948 -1.854 -6.238 451 HH TYR 71 HH TYR 71 6.492 1.053 -4.777 452 H THR 72 H THR 72 10.452 3.427 -10.518 453 HA THR 72 HA THR 72 11.242 4.921 -8.137 454 HB THR 72 HB THR 72 9.548 6.075 -10.295 455 HG1 THR 72 HG1 THR 72 11.370 6.032 -11.682 456 1HG2 THR 72 1HG2 THR 72 11.018 7.139 -8.301 457 2HG2 THR 72 2HG2 THR 72 10.719 7.976 -9.824 458 3HG2 THR 72 3HG2 THR 72 12.231 7.102 -9.579 459 H GLY 73 H GLY 73 9.936 5.176 -6.369 460 1HA GLY 73 2HA GLY 73 7.113 4.415 -6.493 461 2HA GLY 73 1HA GLY 73 7.969 4.990 -5.061 462 H SER 74 H SER 74 5.370 5.912 -5.849 463 HA SER 74 HA SER 74 5.697 8.752 -5.622 464 1HB SER 74 2HB SER 74 4.925 9.264 -7.996 465 2HB SER 74 1HB SER 74 6.565 8.637 -7.863 466 HG SER 74 HG SER 74 4.745 7.676 -9.369 467 H THR 75 H THR 75 3.827 9.216 -4.529 468 HA THR 75 HA THR 75 1.563 7.657 -4.189 469 HB THR 75 HB THR 75 0.489 9.713 -3.491 470 HG1 THR 75 HG1 THR 75 0.711 11.347 -4.760 471 1HG2 THR 75 1HG2 THR 75 1.958 9.944 -1.804 472 2HG2 THR 75 2HG2 THR 75 3.110 10.750 -2.869 473 3HG2 THR 75 3HG2 THR 75 3.112 8.991 -2.738 474 HA PRO 76 HA PRO 76 -0.575 7.479 -8.016 475 1HB PRO 76 2HB PRO 76 -3.165 7.412 -7.136 476 2HB PRO 76 1HB PRO 76 -2.052 6.036 -7.012 477 1HG PRO 76 2HG PRO 76 -2.797 8.044 -4.932 478 2HG PRO 76 1HG PRO 76 -2.634 6.283 -4.789 479 1HD PRO 76 2HD PRO 76 -0.698 7.952 -3.954 480 2HD PRO 76 1HD PRO 76 -0.324 6.369 -4.674 481 H GLU 77 H GLU 77 -1.994 9.781 -5.667 482 HA GLU 77 HA GLU 77 -1.938 11.902 -7.721 483 1HB GLU 77 2HB GLU 77 -4.224 10.255 -7.186 484 2HB GLU 77 1HB GLU 77 -4.577 11.898 -6.646 485 1HG GLU 77 2HG GLU 77 -3.337 11.360 -9.345 486 2HG GLU 77 1HG GLU 77 -5.086 11.339 -9.112 487 H GLY 78 H GLY 78 -0.522 12.927 -6.142 488 1HA GLY 78 2HA GLY 78 -1.476 14.892 -4.525 489 2HA GLY 78 1HA GLY 78 -1.588 13.492 -3.459 490 H THR 79 H THR 79 0.729 15.260 -5.512 491 HA THR 79 HA THR 79 3.044 15.625 -5.218 492 HB THR 79 HB THR 79 2.318 14.877 -2.370 493 HG1 THR 79 HG1 THR 79 2.187 17.341 -3.766 494 1HG2 THR 79 1HG2 THR 79 4.785 15.124 -3.090 495 2HG2 THR 79 2HG2 THR 79 4.246 16.074 -1.705 496 3HG2 THR 79 3HG2 THR 79 4.418 16.838 -3.286 497 HA PRO 80 HA PRO 80 4.441 11.411 -5.685 498 1HB PRO 80 2HB PRO 80 6.996 12.020 -6.453 499 2HB PRO 80 1HB PRO 80 5.601 12.134 -7.545 500 1HG PRO 80 2HG PRO 80 7.000 14.295 -6.037 501 2HG PRO 80 1HG PRO 80 6.362 14.303 -7.690 502 1HD PRO 80 2HD PRO 80 5.060 15.460 -5.606 503 2HD PRO 80 1HD PRO 80 4.214 14.757 -7.004 504 H VAL 81 H VAL 81 6.987 10.553 -5.062 505 HA VAL 81 HA VAL 81 7.519 11.492 -2.280 506 HB VAL 81 HB VAL 81 7.025 8.671 -3.230 507 1HG1 VAL 81 1HG1 VAL 81 8.403 9.756 -0.874 508 2HG1 VAL 81 2HG1 VAL 81 8.443 8.127 -1.548 509 3HG1 VAL 81 3HG1 VAL 81 7.120 8.609 -0.485 510 1HG2 VAL 81 1HG2 VAL 81 5.182 8.844 -1.488 511 2HG2 VAL 81 2HG2 VAL 81 4.948 9.840 -2.924 512 3HG2 VAL 81 3HG2 VAL 81 5.517 10.574 -1.424 513 H GLY 82 H GLY 82 8.825 8.566 -3.729 514 1HA GLY 82 2HA GLY 82 11.255 9.851 -4.705 515 2HA GLY 82 1HA GLY 82 11.494 9.002 -3.179 516 H SER 83 H SER 83 12.998 7.713 -4.648 517 HA SER 83 HA SER 83 11.749 5.883 -6.572 518 1HB SER 83 2HB SER 83 14.518 6.010 -5.344 519 2HB SER 83 1HB SER 83 14.072 5.051 -6.752 520 HG SER 83 HG SER 83 13.811 6.868 -7.914 521 H VAL 84 H VAL 84 12.245 3.447 -6.265 522 HA VAL 84 HA VAL 84 12.136 2.614 -3.404 523 HB VAL 84 HB VAL 84 10.115 2.139 -5.599 524 1HG1 VAL 84 1HG1 VAL 84 9.055 0.492 -4.080 525 2HG1 VAL 84 2HG1 VAL 84 10.437 0.624 -2.993 526 3HG1 VAL 84 3HG1 VAL 84 10.649 -0.040 -4.613 527 1HG2 VAL 84 1HG2 VAL 84 8.561 2.838 -3.752 528 2HG2 VAL 84 2HG2 VAL 84 9.718 4.091 -4.200 529 3HG2 VAL 84 3HG2 VAL 84 9.970 3.138 -2.737 530 H ASP 85 H ASP 85 12.558 0.257 -3.171 531 HA ASP 85 HA ASP 85 13.471 -1.280 -5.495 532 1HB ASP 85 2HB ASP 85 15.311 0.339 -5.086 533 2HB ASP 85 1HB ASP 85 15.446 -0.260 -3.434 534 H CYS 86 H CYS 86 12.155 -2.974 -4.703 535 HA CYS 86 HA CYS 86 11.757 -3.903 -2.121 536 1HB CYS 86 2HB CYS 86 11.438 -4.792 -4.795 537 2HB CYS 86 1HB CYS 86 12.172 -6.123 -3.902 538 H ALA 87 H ALA 87 14.677 -4.200 -4.045 539 HA ALA 87 HA ALA 87 16.008 -6.349 -2.828 540 1HB ALA 87 1HB ALA 87 16.834 -5.033 -4.747 541 2HB ALA 87 2HB ALA 87 18.055 -5.093 -3.476 542 3HB ALA 87 3HB ALA 87 17.076 -3.643 -3.691 543 H THR 88 H THR 88 15.955 -2.946 -1.788 544 HA THR 88 HA THR 88 16.987 -3.807 0.886 545 HB THR 88 HB THR 88 18.398 -2.215 -0.286 546 HG1 THR 88 HG1 THR 88 16.987 -0.499 1.397 547 1HG2 THR 88 1HG2 THR 88 16.836 0.104 -0.516 548 2HG2 THR 88 2HG2 THR 88 15.826 -1.194 -1.149 549 3HG2 THR 88 3HG2 THR 88 17.425 -0.905 -1.837 550 H ALA 89 H ALA 89 14.111 -3.322 -0.551 551 HA ALA 89 HA ALA 89 12.893 -2.195 1.931 552 1HB ALA 89 1HB ALA 89 13.268 -0.643 -0.178 553 2HB ALA 89 2HB ALA 89 11.749 -0.562 0.714 554 3HB ALA 89 3HB ALA 89 11.842 -1.483 -0.786 555 H ALA 90 H ALA 90 10.539 -2.755 2.079 556 HA ALA 90 HA ALA 90 9.998 -5.416 0.823 557 1HB ALA 90 1HB ALA 90 8.302 -4.291 2.992 558 2HB ALA 90 2HB ALA 90 9.983 -4.617 3.413 559 3HB ALA 90 3HB ALA 90 8.956 -5.918 2.813 560 H CYS 91 H CYS 91 8.538 -5.406 -0.861 561 HA CYS 91 HA CYS 91 6.747 -3.042 -1.161 562 1HB CYS 91 2HB CYS 91 7.158 -5.304 -3.122 563 2HB CYS 91 1HB CYS 91 6.668 -3.645 -3.456 564 H ASN 92 H ASN 92 4.503 -3.471 -1.870 565 HA ASN 92 HA ASN 92 3.365 -6.113 -1.120 566 1HB ASN 92 2HB ASN 92 1.761 -4.933 0.402 567 2HB ASN 92 1HB ASN 92 3.432 -4.793 0.948 568 1HD2 ASN 92 1HD2 ASN 92 3.012 -2.749 2.061 569 2HD2 ASN 92 2HD2 ASN 92 2.737 -1.314 1.197 570 H LEU 93 H LEU 93 0.767 -5.704 -1.412 571 HA LEU 93 HA LEU 93 0.367 -4.060 -3.877 572 1HB LEU 93 2HB LEU 93 0.829 -6.614 -4.150 573 2HB LEU 93 1HB LEU 93 -0.800 -6.819 -3.507 574 HG LEU 93 HG LEU 93 -1.663 -5.311 -5.302 575 1HD1 LEU 93 1HD1 LEU 93 0.169 -3.951 -5.890 576 2HD1 LEU 93 2HD1 LEU 93 0.007 -5.042 -7.267 577 3HD1 LEU 93 3HD1 LEU 93 1.254 -5.331 -6.054 578 1HD2 LEU 93 1HD2 LEU 93 -1.717 -7.737 -5.656 579 2HD2 LEU 93 2HD2 LEU 93 -0.051 -7.714 -6.232 580 3HD2 LEU 93 3HD2 LEU 93 -1.321 -6.932 -7.175 581 H GLY 94 H GLY 94 -1.745 -3.164 -4.023 582 1HA GLY 94 2HA GLY 94 -3.721 -3.978 -1.971 583 2HA GLY 94 1HA GLY 94 -3.177 -2.298 -1.935 584 H ALA 95 H ALA 95 -5.837 -3.579 -2.605 585 HA ALA 95 HA ALA 95 -6.201 -2.270 -5.287 586 1HB ALA 95 1HB ALA 95 -7.071 -4.226 -6.013 587 2HB ALA 95 2HB ALA 95 -8.167 -4.296 -4.634 588 3HB ALA 95 3HB ALA 95 -6.538 -4.956 -4.498 589 H GLY 96 H GLY 96 -8.674 -1.743 -5.555 590 1HA GLY 96 2HA GLY 96 -10.714 -1.396 -3.962 591 2HA GLY 96 1HA GLY 96 -9.565 -0.446 -3.022 592 H ASN 97 H ASN 97 -11.769 0.871 -3.899 593 HA ASN 97 HA ASN 97 -10.768 2.478 -6.213 594 1HB ASN 97 2HB ASN 97 -13.164 2.837 -6.725 595 2HB ASN 97 1HB ASN 97 -12.781 1.117 -6.683 596 1HD2 ASN 97 1HD2 ASN 97 -15.381 1.417 -6.277 597 2HD2 ASN 97 2HD2 ASN 97 -15.817 1.368 -4.637 598 H SER 98 H SER 98 -13.212 4.248 -5.511 599 HA SER 98 HA SER 98 -11.936 6.353 -4.191 600 1HB SER 98 2HB SER 98 -14.808 5.440 -4.337 601 2HB SER 98 1HB SER 98 -14.363 6.962 -3.571 602 HG SER 98 HG SER 98 -13.341 7.534 -5.556 603 H GLY 99 H GLY 99 -13.825 3.696 -2.716 604 1HA GLY 99 2HA GLY 99 -12.282 3.687 -0.309 605 2HA GLY 99 1HA GLY 99 -13.754 4.620 -0.037 606 H LEU 100 H LEU 100 -12.641 1.453 -1.232 607 HA LEU 100 HA LEU 100 -15.203 0.291 -0.185 608 1HB LEU 100 2HB LEU 100 -14.826 0.453 -2.719 609 2HB LEU 100 1HB LEU 100 -13.557 -0.752 -2.495 610 HG LEU 100 HG LEU 100 -16.340 -1.199 -1.423 611 1HD1 LEU 100 1HD1 LEU 100 -15.555 -2.477 -3.984 612 2HD1 LEU 100 2HD1 LEU 100 -15.952 -0.761 -4.069 613 3HD1 LEU 100 3HD1 LEU 100 -17.135 -1.911 -3.447 614 1HD2 LEU 100 1HD2 LEU 100 -15.227 -3.595 -2.225 615 2HD2 LEU 100 2HD2 LEU 100 -15.177 -2.960 -0.580 616 3HD2 LEU 100 3HD2 LEU 100 -13.816 -2.693 -1.670 617 H ASP 101 H ASP 101 -11.714 -0.007 -0.502 618 HA ASP 101 HA ASP 101 -10.185 -1.341 0.717 619 1HB ASP 101 2HB ASP 101 -12.160 -0.628 2.414 620 2HB ASP 101 1HB ASP 101 -12.381 -2.379 2.439 621 H LEU 102 H LEU 102 -9.737 -2.922 -0.871 622 HA LEU 102 HA LEU 102 -11.575 -5.236 -1.131 623 1HB LEU 102 2HB LEU 102 -9.429 -3.909 -2.707 624 2HB LEU 102 1HB LEU 102 -9.600 -5.652 -2.925 625 HG LEU 102 HG LEU 102 -11.950 -3.756 -3.080 626 1HD1 LEU 102 1HD1 LEU 102 -11.630 -4.291 -5.628 627 2HD1 LEU 102 2HD1 LEU 102 -9.954 -4.590 -5.168 628 3HD1 LEU 102 3HD1 LEU 102 -10.675 -3.006 -4.892 629 1HD2 LEU 102 1HD2 LEU 102 -11.483 -6.656 -3.369 630 2HD2 LEU 102 2HD2 LEU 102 -12.447 -5.944 -4.663 631 3HD2 LEU 102 3HD2 LEU 102 -12.971 -5.789 -2.986 632 H GLY 103 H GLY 103 -8.011 -5.019 -1.191 633 1HA GLY 103 2HA GLY 103 -7.597 -6.539 1.203 634 2HA GLY 103 1HA GLY 103 -7.548 -7.615 -0.193 635 H HIS 104 H HIS 104 -5.253 -7.424 1.213 636 HA HIS 104 HA HIS 104 -3.506 -5.767 -0.568 637 1HB HIS 104 2HB HIS 104 -3.450 -6.122 2.443 638 2HB HIS 104 1HB HIS 104 -2.148 -5.361 1.528 639 HD1 HIS 104 HD1 HIS 104 -2.754 -3.117 0.244 640 HD2 HIS 104 HD2 HIS 104 -5.696 -4.488 2.860 641 HE1 HIS 104 HE1 HIS 104 -4.370 -1.193 0.580 642 H VAL 105 H VAL 105 -1.929 -7.016 -1.504 643 HA VAL 105 HA VAL 105 -1.336 -9.693 -0.282 644 HB VAL 105 HB VAL 105 -1.149 -8.660 -3.132 645 1HG1 VAL 105 1HG1 VAL 105 -0.247 -10.679 -3.765 646 2HG1 VAL 105 2HG1 VAL 105 -1.050 -11.563 -2.466 647 3HG1 VAL 105 3HG1 VAL 105 0.400 -10.618 -2.126 648 1HG2 VAL 105 1HG2 VAL 105 -3.434 -8.950 -2.756 649 2HG2 VAL 105 2HG2 VAL 105 -3.179 -10.245 -1.586 650 3HG2 VAL 105 3HG2 VAL 105 -2.971 -10.559 -3.308 651 H ALA 106 H ALA 106 0.656 -9.735 0.702 652 HA ALA 106 HA ALA 106 2.674 -7.686 0.131 653 1HB ALA 106 1HB ALA 106 3.920 -9.014 1.869 654 2HB ALA 106 2HB ALA 106 2.588 -10.170 1.864 655 3HB ALA 106 3HB ALA 106 2.311 -8.509 2.386 656 H LEU 107 H LEU 107 4.703 -8.069 -0.880 657 HA LEU 107 HA LEU 107 4.883 -10.654 -2.402 658 1HB LEU 107 2HB LEU 107 6.026 -7.963 -3.198 659 2HB LEU 107 1HB LEU 107 5.756 -9.369 -4.226 660 HG LEU 107 HG LEU 107 3.383 -8.181 -2.834 661 1HD1 LEU 107 1HD1 LEU 107 4.883 -6.945 -5.142 662 2HD1 LEU 107 2HD1 LEU 107 4.284 -6.162 -3.680 663 3HD1 LEU 107 3HD1 LEU 107 3.151 -6.692 -4.925 664 1HD2 LEU 107 1HD2 LEU 107 3.938 -9.498 -5.503 665 2HD2 LEU 107 2HD2 LEU 107 2.367 -8.837 -5.052 666 3HD2 LEU 107 3HD2 LEU 107 3.053 -10.183 -4.140 667 H THR 108 H THR 108 7.175 -11.278 -2.914 668 HA THR 108 HA THR 108 9.274 -10.075 -1.221 669 HB THR 108 HB THR 108 8.031 -12.783 -0.831 670 HG1 THR 108 HG1 THR 108 8.824 -10.666 0.868 671 1HG2 THR 108 1HG2 THR 108 10.121 -12.964 0.822 672 2HG2 THR 108 2HG2 THR 108 10.871 -11.976 -0.431 673 3HG2 THR 108 3HG2 THR 108 10.200 -13.555 -0.838 674 H PHE 109 H PHE 109 10.507 -9.691 -3.080 675 HA PHE 109 HA PHE 109 10.888 -11.603 -5.196 676 1HB PHE 109 2HB PHE 109 12.326 -9.133 -4.213 677 2HB PHE 109 1HB PHE 109 12.835 -9.999 -5.663 678 HD1 PHE 109 HD1 PHE 109 9.984 -8.191 -4.085 679 HD2 PHE 109 HD2 PHE 109 11.626 -9.831 -7.700 680 HE1 PHE 109 HE1 PHE 109 8.210 -7.062 -5.409 681 HE2 PHE 109 HE2 PHE 109 9.857 -8.706 -9.021 682 HZ PHE 109 HZ PHE 109 8.147 -7.322 -7.879 683 H GLY 110 H GLY 110 11.837 -13.566 -4.766 684 1HA GLY 110 2HA GLY 110 14.075 -13.680 -2.807 685 2HA GLY 110 1HA GLY 110 13.174 -15.073 -3.409 686 2H2' ROM 111 2H2' ROM 111 -9.155 5.383 -7.700 687 2H3' ROM 111 2H3' ROM 111 -8.161 6.105 -10.245 688 H'1 ROM 111 H'1 ROM 111 -4.490 4.704 -10.296 689 3H18 ROM 111 3H18 ROM 111 -3.284 3.515 0.855 690 2H18 ROM 111 2H18 ROM 111 -4.556 2.451 0.489 691 2H23 ROM 111 2H23 ROM 111 -5.788 7.812 -1.726 692 H1' ROM 111 H1' ROM 111 -8.041 7.282 -7.210 693 H2' ROM 111 H2' ROM 111 -10.920 7.545 -8.044 694 H3' ROM 111 H3' ROM 111 -10.004 7.082 -10.271 695 H4' ROM 111 H4' ROM 111 -10.200 9.410 -9.593 696 1H6B ROM 111 1H6B ROM 111 -7.735 11.461 -9.091 697 3H6B ROM 111 3H6B ROM 111 -9.476 11.372 -8.828 698 2H6B ROM 111 2H6B ROM 111 -8.382 11.477 -7.450 699 1H6A ROM 111 1H6A ROM 111 -6.363 10.020 -8.752 700 3H6A ROM 111 3H6A ROM 111 -6.618 8.761 -7.546 701 2H6A ROM 111 2H6A ROM 111 -6.827 8.403 -9.252 702 1H4B ROM 111 1H4B ROM 111 -6.989 8.127 -11.032 703 3H4B ROM 111 3H4B ROM 111 -8.514 7.508 -11.684 704 2H4B ROM 111 2H4B ROM 111 -7.595 8.729 -12.581 705 1H4A ROM 111 1H4A ROM 111 -10.305 10.587 -11.180 706 3H4A ROM 111 3H4A ROM 111 -9.134 10.634 -12.510 707 2H4A ROM 111 2H4A ROM 111 -10.144 9.197 -12.269 708 H'8 ROM 111 H'8 ROM 111 -0.423 4.513 -8.043 709 H'6 ROM 111 H'6 ROM 111 0.270 6.898 -11.521 710 1H3A ROM 111 1H3A ROM 111 -4.730 6.522 -14.548 711 2H3A ROM 111 2H3A ROM 111 -3.348 7.755 -14.516 712 1H7A ROM 111 1H7A ROM 111 2.754 7.390 -9.184 713 3H7A ROM 111 3H7A ROM 111 1.400 7.706 -10.267 714 2H7A ROM 111 2H7A ROM 111 1.158 7.721 -8.526 715 H3 ROM 111 H3 ROM 111 -4.737 6.172 -6.449 716 H6 ROM 111 H6 ROM 111 -7.707 3.026 -4.079 717 H5 ROM 111 H5 ROM 111 -5.605 2.184 -5.089 718 H12 ROM 111 H12 ROM 111 -5.468 8.579 -5.377 719 H8 ROM 111 H8 ROM 111 -9.477 5.264 -4.405 720 H13 ROM 111 H13 ROM 111 -3.838 2.633 -6.808 721 H10 ROM 111 H10 ROM 111 -9.089 8.645 -3.176 722 H11 ROM 111 H11 ROM 111 -6.853 9.918 -3.658 723 2H14 ROM 111 2H14 ROM 111 -1.917 2.789 -5.531 724 1H14 ROM 111 1H14 ROM 111 -2.088 4.533 -5.298 725 2H17 ROM 111 2H17 ROM 111 -4.429 1.662 -2.346 726 1H17 ROM 111 1H17 ROM 111 -2.930 1.282 -1.501 727 H18 ROM 111 H18 ROM 111 -2.824 3.957 -1.340 728 H20 ROM 111 H20 ROM 111 -6.116 2.241 -1.229 729 H24 ROM 111 H24 ROM 111 -4.029 5.910 -1.808 730 4H18 ROM 111 4H18 ROM 111 -2.946 1.959 0.262 Start of MODEL 28 1 1H ALA 1 1H ALA 1 -19.105 -8.903 1.182 2 2H ALA 1 2H ALA 1 -19.310 -8.196 2.713 3 3H ALA 1 3H ALA 1 -19.112 -9.877 2.574 4 HA ALA 1 HA ALA 1 -17.097 -7.749 2.405 5 1HB ALA 1 1HB ALA 1 -15.932 -9.820 3.536 6 2HB ALA 1 2HB ALA 1 -17.579 -10.438 3.660 7 3HB ALA 1 3HB ALA 1 -17.147 -8.916 4.437 8 HA PRO 2 HA PRO 2 -16.023 -9.722 -1.487 9 1HB PRO 2 2HB PRO 2 -14.254 -7.782 -2.272 10 2HB PRO 2 1HB PRO 2 -16.010 -7.635 -2.477 11 1HG PRO 2 2HG PRO 2 -14.247 -6.435 -0.403 12 2HG PRO 2 1HG PRO 2 -15.658 -5.748 -1.224 13 1HD PRO 2 2HD PRO 2 -15.733 -6.767 1.319 14 2HD PRO 2 1HD PRO 2 -17.139 -6.717 0.233 15 H ALA 3 H ALA 3 -13.327 -9.428 -2.378 16 HA ALA 3 HA ALA 3 -11.388 -9.866 -0.304 17 1HB ALA 3 1HB ALA 3 -11.936 -12.469 -1.586 18 2HB ALA 3 2HB ALA 3 -13.213 -11.896 -0.513 19 3HB ALA 3 3HB ALA 3 -11.572 -12.103 0.100 20 H PHE 4 H PHE 4 -9.447 -9.530 -1.279 21 HA PHE 4 HA PHE 4 -9.226 -9.989 -4.235 22 1HB PHE 4 2HB PHE 4 -9.046 -7.664 -3.543 23 2HB PHE 4 1HB PHE 4 -7.890 -8.081 -2.280 24 HD1 PHE 4 HD1 PHE 4 -5.708 -9.332 -3.110 25 HD2 PHE 4 HD2 PHE 4 -8.258 -6.940 -5.595 26 HE1 PHE 4 HE1 PHE 4 -3.852 -9.042 -4.734 27 HE2 PHE 4 HE2 PHE 4 -6.411 -6.649 -7.222 28 HZ PHE 4 HZ PHE 4 -4.206 -7.699 -6.791 29 H SER 5 H SER 5 -7.757 -11.608 -4.842 30 HA SER 5 HA SER 5 -5.503 -12.235 -2.971 31 1HB SER 5 2HB SER 5 -6.275 -14.338 -2.540 32 2HB SER 5 1HB SER 5 -7.838 -13.650 -2.976 33 HG SER 5 HG SER 5 -7.081 -15.649 -4.104 34 H VAL 6 H VAL 6 -3.805 -13.512 -3.990 35 HA VAL 6 HA VAL 6 -3.793 -13.436 -6.988 36 HB VAL 6 HB VAL 6 -2.521 -11.597 -5.893 37 1HG1 VAL 6 1HG1 VAL 6 -0.581 -12.160 -4.504 38 2HG1 VAL 6 2HG1 VAL 6 -0.928 -13.877 -4.687 39 3HG1 VAL 6 3HG1 VAL 6 -2.044 -12.842 -3.799 40 1HG2 VAL 6 1HG2 VAL 6 -0.423 -13.495 -6.893 41 2HG2 VAL 6 2HG2 VAL 6 -0.674 -11.796 -7.298 42 3HG2 VAL 6 3HG2 VAL 6 -1.722 -13.032 -7.993 43 H SER 7 H SER 7 -2.132 -15.023 -7.886 44 HA SER 7 HA SER 7 -2.319 -17.562 -6.453 45 1HB SER 7 2HB SER 7 -2.461 -17.807 -8.757 46 2HB SER 7 1HB SER 7 -1.277 -16.547 -9.075 47 HG SER 7 HG SER 7 -0.252 -18.456 -9.464 48 HA PRO 8 HA PRO 8 2.334 -17.278 -5.782 49 1HB PRO 8 2HB PRO 8 3.893 -15.509 -7.142 50 2HB PRO 8 1HB PRO 8 3.434 -17.083 -7.819 51 1HG PRO 8 2HG PRO 8 2.331 -14.384 -8.395 52 2HG PRO 8 1HG PRO 8 2.594 -15.754 -9.485 53 1HD PRO 8 2HD PRO 8 0.144 -15.056 -8.433 54 2HD PRO 8 1HD PRO 8 0.578 -16.679 -9.008 55 H ALA 9 H ALA 9 4.026 -15.567 -4.797 56 HA ALA 9 HA ALA 9 3.154 -12.878 -4.246 57 1HB ALA 9 1HB ALA 9 2.230 -13.189 -2.034 58 2HB ALA 9 2HB ALA 9 2.628 -14.906 -2.059 59 3HB ALA 9 3HB ALA 9 1.377 -14.276 -3.127 60 H SER 10 H SER 10 5.586 -14.566 -4.740 61 HA SER 10 HA SER 10 7.404 -13.228 -2.945 62 1HB SER 10 2HB SER 10 7.973 -15.912 -2.351 63 2HB SER 10 1HB SER 10 7.286 -14.721 -1.258 64 HG SER 10 HG SER 10 5.992 -16.630 -2.886 65 H GLY 11 H GLY 11 9.702 -13.970 -3.418 66 1HA GLY 11 2HA GLY 11 11.326 -14.289 -5.101 67 2HA GLY 11 1HA GLY 11 10.510 -15.842 -5.297 68 H LEU 12 H LEU 12 9.355 -12.542 -5.962 69 HA LEU 12 HA LEU 12 8.277 -13.392 -8.554 70 1HB LEU 12 2HB LEU 12 8.464 -10.694 -7.192 71 2HB LEU 12 1HB LEU 12 7.429 -11.088 -8.564 72 HG LEU 12 HG LEU 12 7.295 -12.453 -5.864 73 1HD1 LEU 12 1HD1 LEU 12 5.152 -11.199 -5.651 74 2HD1 LEU 12 2HD1 LEU 12 5.555 -10.318 -7.125 75 3HD1 LEU 12 3HD1 LEU 12 6.561 -10.141 -5.688 76 1HD2 LEU 12 1HD2 LEU 12 6.398 -13.267 -8.397 77 2HD2 LEU 12 2HD2 LEU 12 4.968 -12.614 -7.600 78 3HD2 LEU 12 3HD2 LEU 12 5.882 -13.918 -6.842 79 H SER 13 H SER 13 8.706 -11.074 -10.072 80 HA SER 13 HA SER 13 11.593 -10.538 -10.270 81 1HB SER 13 2HB SER 13 11.316 -12.772 -11.289 82 2HB SER 13 1HB SER 13 10.090 -12.128 -12.375 83 HG SER 13 HG SER 13 12.785 -12.039 -12.564 84 H ASP 14 H ASP 14 12.020 -8.778 -11.734 85 HA ASP 14 HA ASP 14 9.923 -6.856 -12.053 86 1HB ASP 14 2HB ASP 14 12.391 -6.442 -11.881 87 2HB ASP 14 1HB ASP 14 12.573 -7.091 -13.510 88 H GLY 15 H GLY 15 8.424 -6.638 -13.654 89 1HA GLY 15 2HA GLY 15 7.590 -6.700 -15.891 90 2HA GLY 15 1HA GLY 15 8.955 -7.719 -16.340 91 H GLN 16 H GLN 16 8.460 -9.486 -13.978 92 HA GLN 16 HA GLN 16 6.908 -11.503 -15.230 93 1HB GLN 16 2HB GLN 16 8.430 -12.042 -13.466 94 2HB GLN 16 1HB GLN 16 7.653 -10.907 -12.361 95 1HG GLN 16 2HG GLN 16 5.600 -12.278 -12.385 96 2HG GLN 16 1HG GLN 16 6.374 -13.417 -13.488 97 1HE2 GLN 16 1HE2 GLN 16 5.492 -14.408 -11.038 98 2HE2 GLN 16 2HE2 GLN 16 6.819 -14.737 -10.039 99 H SER 17 H SER 17 4.715 -12.095 -15.018 100 HA SER 17 HA SER 17 2.950 -10.036 -13.739 101 1HB SER 17 2HB SER 17 2.252 -11.949 -15.970 102 2HB SER 17 1HB SER 17 1.409 -10.473 -15.514 103 HG SER 17 HG SER 17 3.642 -9.523 -15.998 104 H VAL 18 H VAL 18 1.580 -10.784 -12.148 105 HA VAL 18 HA VAL 18 1.600 -13.707 -11.569 106 HB VAL 18 HB VAL 18 0.765 -12.863 -9.343 107 1HG1 VAL 18 1HG1 VAL 18 2.927 -11.698 -8.762 108 2HG1 VAL 18 2HG1 VAL 18 3.317 -11.680 -10.482 109 3HG1 VAL 18 3HG1 VAL 18 3.147 -13.217 -9.633 110 1HG2 VAL 18 1HG2 VAL 18 1.535 -10.091 -10.005 111 2HG2 VAL 18 2HG2 VAL 18 0.186 -10.679 -9.034 112 3HG2 VAL 18 3HG2 VAL 18 0.051 -10.632 -10.792 113 H SER 19 H SER 19 -0.470 -14.731 -10.975 114 HA SER 19 HA SER 19 -2.712 -13.739 -12.635 115 1HB SER 19 2HB SER 19 -1.725 -16.248 -11.514 116 2HB SER 19 1HB SER 19 -3.462 -16.069 -11.286 117 HG SER 19 HG SER 19 -3.693 -15.784 -13.484 118 H VAL 20 H VAL 20 -3.893 -12.150 -11.591 119 HA VAL 20 HA VAL 20 -4.465 -12.491 -8.686 120 HB VAL 20 HB VAL 20 -4.673 -10.168 -10.617 121 1HG1 VAL 20 1HG1 VAL 20 -5.067 -8.850 -8.496 122 2HG1 VAL 20 2HG1 VAL 20 -5.301 -10.387 -7.662 123 3HG1 VAL 20 3HG1 VAL 20 -6.399 -9.909 -8.957 124 1HG2 VAL 20 1HG2 VAL 20 -2.383 -10.577 -10.101 125 2HG2 VAL 20 2HG2 VAL 20 -2.748 -10.939 -8.415 126 3HG2 VAL 20 3HG2 VAL 20 -2.875 -9.284 -9.010 127 H SER 21 H SER 21 -6.707 -11.762 -8.042 128 HA SER 21 HA SER 21 -8.866 -11.869 -9.996 129 1HB SER 21 2HB SER 21 -9.760 -14.039 -9.138 130 2HB SER 21 1HB SER 21 -8.200 -14.224 -9.933 131 HG SER 21 HG SER 21 -7.638 -15.109 -8.110 132 H VAL 22 H VAL 22 -10.342 -10.496 -9.082 133 HA VAL 22 HA VAL 22 -10.505 -10.382 -6.106 134 HB VAL 22 HB VAL 22 -11.316 -8.327 -8.170 135 1HG1 VAL 22 1HG1 VAL 22 -10.654 -8.104 -5.214 136 2HG1 VAL 22 2HG1 VAL 22 -12.281 -8.077 -5.894 137 3HG1 VAL 22 3HG1 VAL 22 -11.146 -6.779 -6.266 138 1HG2 VAL 22 1HG2 VAL 22 -9.039 -8.405 -8.579 139 2HG2 VAL 22 2HG2 VAL 22 -8.663 -9.009 -6.966 140 3HG2 VAL 22 3HG2 VAL 22 -9.053 -7.306 -7.202 141 H SER 23 H SER 23 -12.667 -10.137 -5.198 142 HA SER 23 HA SER 23 -14.978 -10.539 -7.004 143 1HB SER 23 2HB SER 23 -14.332 -12.795 -6.796 144 2HB SER 23 1HB SER 23 -13.836 -12.593 -5.118 145 HG SER 23 HG SER 23 -16.467 -12.580 -6.189 146 H GLY 24 H GLY 24 -16.980 -10.091 -5.941 147 1HA GLY 24 2HA GLY 24 -18.319 -9.579 -3.990 148 2HA GLY 24 1HA GLY 24 -16.834 -9.295 -3.088 149 H ALA 25 H ALA 25 -16.361 -7.845 -6.008 150 HA ALA 25 HA ALA 25 -16.751 -5.178 -4.881 151 1HB ALA 25 1HB ALA 25 -15.021 -4.869 -6.302 152 2HB ALA 25 2HB ALA 25 -16.113 -5.136 -7.663 153 3HB ALA 25 3HB ALA 25 -15.247 -6.498 -6.943 154 H ALA 26 H ALA 26 -18.450 -7.319 -7.074 155 HA ALA 26 HA ALA 26 -20.669 -7.145 -7.903 156 1HB ALA 26 1HB ALA 26 -22.050 -5.690 -6.795 157 2HB ALA 26 2HB ALA 26 -20.959 -4.326 -7.032 158 3HB ALA 26 3HB ALA 26 -20.640 -5.497 -5.752 159 H ALA 27 H ALA 27 -21.097 -6.859 -9.982 160 HA ALA 27 HA ALA 27 -19.497 -5.472 -11.821 161 1HB ALA 27 1HB ALA 27 -21.473 -7.247 -11.947 162 2HB ALA 27 2HB ALA 27 -21.082 -6.229 -13.333 163 3HB ALA 27 3HB ALA 27 -22.432 -5.806 -12.278 164 H GLY 28 H GLY 28 -19.628 -3.431 -12.735 165 1HA GLY 28 2HA GLY 28 -20.797 -1.343 -13.202 166 2HA GLY 28 1HA GLY 28 -21.729 -1.597 -11.730 167 H GLU 29 H GLU 29 -18.371 -2.293 -11.492 168 HA GLU 29 HA GLU 29 -17.753 0.436 -10.483 169 1HB GLU 29 2HB GLU 29 -17.955 -2.121 -8.921 170 2HB GLU 29 1HB GLU 29 -16.811 -0.878 -8.410 171 1HG GLU 29 2HG GLU 29 -18.700 -0.213 -7.236 172 2HG GLU 29 1HG GLU 29 -18.899 0.717 -8.722 173 H THR 30 H THR 30 -15.519 0.879 -10.494 174 HA THR 30 HA THR 30 -13.804 -1.241 -11.740 175 HB THR 30 HB THR 30 -13.443 1.752 -11.950 176 HG1 THR 30 HG1 THR 30 -15.438 1.407 -12.794 177 1HG2 THR 30 1HG2 THR 30 -12.228 1.125 -13.999 178 2HG2 THR 30 2HG2 THR 30 -12.605 -0.571 -13.706 179 3HG2 THR 30 3HG2 THR 30 -11.551 0.301 -12.594 180 H TYR 31 H TYR 31 -11.499 -1.113 -11.097 181 HA TYR 31 HA TYR 31 -11.002 0.356 -8.550 182 1HB TYR 31 2HB TYR 31 -10.589 -2.605 -9.059 183 2HB TYR 31 1HB TYR 31 -10.130 -1.753 -7.582 184 HD1 TYR 31 HD1 TYR 31 -12.920 -3.023 -9.598 185 HD2 TYR 31 HD2 TYR 31 -11.822 -0.886 -6.042 186 HE1 TYR 31 HE1 TYR 31 -15.229 -3.276 -8.734 187 HE2 TYR 31 HE2 TYR 31 -14.128 -1.139 -5.178 188 HH TYR 31 HH TYR 31 -16.409 -3.255 -6.617 189 H TYR 32 H TYR 32 -8.688 0.506 -8.064 190 HA TYR 32 HA TYR 32 -6.990 0.201 -10.512 191 1HB TYR 32 2HB TYR 32 -6.764 2.190 -8.231 192 2HB TYR 32 1HB TYR 32 -5.871 2.225 -9.751 193 HD1 TYR 32 HD1 TYR 32 -6.706 3.477 -11.545 194 HD2 TYR 32 HD2 TYR 32 -9.391 2.197 -8.444 195 HE1 TYR 32 HE1 TYR 32 -8.543 4.777 -12.591 196 HE2 TYR 32 HE2 TYR 32 -11.224 3.495 -9.491 197 HH TYR 32 HH TYR 32 -11.167 4.584 -12.575 198 H ILE 33 H ILE 33 -5.425 -1.330 -10.238 199 HA ILE 33 HA ILE 33 -4.564 -2.013 -7.449 200 HB ILE 33 HB ILE 33 -5.588 -3.798 -8.793 201 1HG1 ILE 33 2HG1 ILE 33 -2.577 -4.085 -8.533 202 2HG1 ILE 33 1HG1 ILE 33 -3.768 -4.442 -7.280 203 1HG2 ILE 33 1HG2 ILE 33 -4.293 -4.547 -10.862 204 2HG2 ILE 33 2HG2 ILE 33 -3.450 -3.000 -10.781 205 3HG2 ILE 33 3HG2 ILE 33 -5.196 -3.042 -11.027 206 1HD1 ILE 33 1HD1 ILE 33 -3.273 -5.905 -9.869 207 2HD1 ILE 33 2HD1 ILE 33 -4.814 -6.050 -9.025 208 3HD1 ILE 33 3HD1 ILE 33 -3.323 -6.555 -8.230 209 H ALA 34 H ALA 34 -2.375 -1.780 -6.901 210 HA ALA 34 HA ALA 34 -0.344 -1.417 -9.014 211 1HB ALA 34 1HB ALA 34 -0.009 0.873 -7.419 212 2HB ALA 34 2HB ALA 34 -1.746 0.778 -7.714 213 3HB ALA 34 3HB ALA 34 -0.621 0.830 -9.072 214 H GLN 35 H GLN 35 1.829 -1.402 -8.138 215 HA GLN 35 HA GLN 35 2.028 -2.725 -5.489 216 1HB GLN 35 2HB GLN 35 3.146 -3.758 -7.383 217 2HB GLN 35 1HB GLN 35 3.937 -2.235 -7.797 218 1HG GLN 35 2HG GLN 35 4.867 -2.391 -5.335 219 2HG GLN 35 1HG GLN 35 4.513 -4.108 -5.525 220 1HE2 GLN 35 1HE2 GLN 35 6.142 -5.317 -6.510 221 2HE2 GLN 35 2HE2 GLN 35 7.379 -4.673 -7.478 222 H CYS 36 H CYS 36 2.854 -1.635 -3.715 223 HA CYS 36 HA CYS 36 4.214 0.993 -4.227 224 1HB CYS 36 2HB CYS 36 2.117 0.298 -2.152 225 2HB CYS 36 1HB CYS 36 2.922 1.861 -2.299 226 H ALA 37 H ALA 37 5.125 1.767 -1.955 227 HA ALA 37 HA ALA 37 6.117 -0.374 -0.198 228 1HB ALA 37 1HB ALA 37 8.261 1.201 -1.538 229 2HB ALA 37 2HB ALA 37 7.453 -0.014 -2.527 230 3HB ALA 37 3HB ALA 37 8.261 -0.488 -1.034 231 HA PRO 38 HA PRO 38 6.097 3.202 2.405 232 1HB PRO 38 2HB PRO 38 7.641 2.282 4.466 233 2HB PRO 38 1HB PRO 38 5.961 1.776 4.207 234 1HG PRO 38 2HG PRO 38 8.487 0.353 3.534 235 2HG PRO 38 1HG PRO 38 6.955 -0.294 4.141 236 1HD PRO 38 2HD PRO 38 7.726 -0.440 1.516 237 2HD PRO 38 1HD PRO 38 6.028 -0.421 2.046 238 H VAL 39 H VAL 39 7.649 4.796 3.374 239 HA VAL 39 HA VAL 39 10.479 4.580 2.562 240 HB VAL 39 HB VAL 39 9.332 5.275 0.510 241 1HG1 VAL 39 1HG1 VAL 39 8.450 7.889 1.219 242 2HG1 VAL 39 2HG1 VAL 39 7.745 6.764 2.380 243 3HG1 VAL 39 3HG1 VAL 39 7.472 6.534 0.654 244 1HG2 VAL 39 1HG2 VAL 39 11.323 6.381 0.364 245 2HG2 VAL 39 2HG2 VAL 39 11.178 7.052 1.989 246 3HG2 VAL 39 3HG2 VAL 39 10.336 7.816 0.640 247 H GLY 40 H GLY 40 10.407 4.788 5.027 248 1HA GLY 40 2HA GLY 40 10.958 6.131 6.880 249 2HA GLY 40 1HA GLY 40 11.007 7.516 5.788 250 H GLY 41 H GLY 41 8.268 5.332 6.414 251 1HA GLY 41 2HA GLY 41 6.295 5.814 7.688 252 2HA GLY 41 1HA GLY 41 6.885 7.460 7.929 253 H GLN 42 H GLN 42 7.488 7.775 5.033 254 HA GLN 42 HA GLN 42 4.860 8.739 4.203 255 1HB GLN 42 2HB GLN 42 7.621 9.149 3.613 256 2HB GLN 42 1HB GLN 42 6.816 8.722 2.102 257 1HG GLN 42 2HG GLN 42 6.555 11.064 2.230 258 2HG GLN 42 1HG GLN 42 5.014 10.439 2.814 259 1HE2 GLN 42 1HE2 GLN 42 4.395 11.000 4.936 260 2HE2 GLN 42 2HE2 GLN 42 5.396 11.827 6.030 261 H ASP 43 H ASP 43 4.343 8.197 1.720 262 HA ASP 43 HA ASP 43 4.536 5.221 1.383 263 1HB ASP 43 2HB ASP 43 2.319 6.551 2.101 264 2HB ASP 43 1HB ASP 43 2.202 6.767 0.353 265 H ALA 44 H ALA 44 5.329 4.607 -0.590 266 HA ALA 44 HA ALA 44 5.343 6.631 -2.802 267 1HB ALA 44 1HB ALA 44 7.550 5.192 -3.303 268 2HB ALA 44 2HB ALA 44 7.455 4.920 -1.564 269 3HB ALA 44 3HB ALA 44 7.575 6.563 -2.193 270 H CYS 45 H CYS 45 3.858 5.809 -4.263 271 HA CYS 45 HA CYS 45 3.692 2.863 -4.666 272 1HB CYS 45 2HB CYS 45 1.992 5.274 -5.211 273 2HB CYS 45 1HB CYS 45 1.709 3.807 -6.145 274 H ASN 46 H ASN 46 3.346 2.231 -7.073 275 HA ASN 46 HA ASN 46 5.553 3.444 -8.653 276 1HB ASN 46 2HB ASN 46 4.979 0.908 -8.108 277 2HB ASN 46 1HB ASN 46 3.914 1.086 -9.505 278 1HD2 ASN 46 1HD2 ASN 46 6.240 -0.617 -9.556 279 2HD2 ASN 46 2HD2 ASN 46 7.344 0.037 -10.665 280 HA PRO 47 HA PRO 47 2.193 5.582 -10.777 281 1HB PRO 47 2HB PRO 47 3.816 7.410 -12.002 282 2HB PRO 47 1HB PRO 47 3.273 7.574 -10.319 283 1HG PRO 47 2HG PRO 47 5.889 6.618 -11.376 284 2HG PRO 47 1HG PRO 47 5.542 7.624 -9.960 285 1HD PRO 47 2HD PRO 47 6.119 4.956 -9.810 286 2HD PRO 47 1HD PRO 47 5.125 5.818 -8.614 287 H ALA 48 H ALA 48 4.815 3.720 -11.868 288 HA ALA 48 HA ALA 48 4.388 4.133 -14.744 289 1HB ALA 48 1HB ALA 48 6.471 3.267 -14.748 290 2HB ALA 48 2HB ALA 48 5.868 1.763 -14.053 291 3HB ALA 48 3HB ALA 48 6.363 3.087 -12.997 292 H THR 49 H THR 49 3.052 2.134 -12.252 293 HA THR 49 HA THR 49 1.766 0.402 -14.341 294 HB THR 49 HB THR 49 1.707 -1.287 -12.457 295 HG1 THR 49 HG1 THR 49 2.067 0.506 -10.889 296 1HG2 THR 49 1HG2 THR 49 3.715 -2.100 -13.153 297 2HG2 THR 49 2HG2 THR 49 4.569 -0.613 -12.742 298 3HG2 THR 49 3HG2 THR 49 3.670 -0.725 -14.254 299 H ALA 50 H ALA 50 0.130 2.282 -14.274 300 HA ALA 50 HA ALA 50 -1.668 2.112 -11.885 301 1HB ALA 50 1HB ALA 50 -1.131 4.351 -12.206 302 2HB ALA 50 2HB ALA 50 -2.570 4.237 -13.219 303 3HB ALA 50 3HB ALA 50 -0.967 4.164 -13.951 304 H THR 51 H THR 51 -2.241 -0.081 -13.081 305 HA THR 51 HA THR 51 -4.066 0.309 -15.385 306 HB THR 51 HB THR 51 -2.314 -1.500 -15.217 307 HG1 THR 51 HG1 THR 51 -3.900 -1.944 -16.627 308 1HG2 THR 51 1HG2 THR 51 -2.837 -1.854 -12.724 309 2HG2 THR 51 2HG2 THR 51 -2.575 -3.301 -13.699 310 3HG2 THR 51 3HG2 THR 51 -4.215 -2.808 -13.273 311 H SER 52 H SER 52 -6.295 0.019 -15.243 312 HA SER 52 HA SER 52 -7.419 -0.483 -12.506 313 1HB SER 52 2HB SER 52 -7.553 1.817 -13.782 314 2HB SER 52 1HB SER 52 -8.827 1.018 -14.698 315 HG SER 52 HG SER 52 -9.994 1.641 -13.046 316 H PHE 53 H PHE 53 -8.960 -2.110 -12.355 317 HA PHE 53 HA PHE 53 -9.923 -3.340 -14.924 318 1HB PHE 53 2HB PHE 53 -9.651 -5.503 -13.822 319 2HB PHE 53 1HB PHE 53 -8.138 -4.605 -13.696 320 HD1 PHE 53 HD1 PHE 53 -10.854 -6.155 -11.879 321 HD2 PHE 53 HD2 PHE 53 -7.633 -3.331 -11.561 322 HE1 PHE 53 HE1 PHE 53 -10.965 -6.308 -9.407 323 HE2 PHE 53 HE2 PHE 53 -7.744 -3.485 -9.088 324 HZ PHE 53 HZ PHE 53 -9.409 -4.973 -8.012 325 H THR 54 H THR 54 -12.133 -3.712 -15.021 326 HA THR 54 HA THR 54 -13.774 -2.884 -12.672 327 HB THR 54 HB THR 54 -14.323 -3.322 -15.623 328 HG1 THR 54 HG1 THR 54 -14.637 -1.073 -15.540 329 1HG2 THR 54 1HG2 THR 54 -16.587 -2.429 -15.152 330 2HG2 THR 54 2HG2 THR 54 -16.222 -2.448 -13.427 331 3HG2 THR 54 3HG2 THR 54 -16.307 -3.963 -14.327 332 H THR 55 H THR 55 -15.508 -4.273 -11.938 333 HA THR 55 HA THR 55 -14.873 -7.092 -11.913 334 HB THR 55 HB THR 55 -17.348 -7.014 -10.915 335 HG1 THR 55 HG1 THR 55 -18.095 -5.076 -10.670 336 1HG2 THR 55 1HG2 THR 55 -14.984 -7.211 -9.809 337 2HG2 THR 55 2HG2 THR 55 -16.368 -6.754 -8.817 338 3HG2 THR 55 3HG2 THR 55 -15.244 -5.519 -9.384 339 H ASP 56 H ASP 56 -16.866 -8.641 -12.380 340 HA ASP 56 HA ASP 56 -17.605 -8.175 -15.237 341 1HB ASP 56 2HB ASP 56 -17.212 -10.553 -13.431 342 2HB ASP 56 1HB ASP 56 -18.130 -10.722 -14.929 343 H ALA 57 H ALA 57 -19.792 -9.914 -15.389 344 HA ALA 57 HA ALA 57 -21.938 -8.272 -14.429 345 1HB ALA 57 1HB ALA 57 -23.320 -10.161 -15.271 346 2HB ALA 57 2HB ALA 57 -21.862 -11.148 -15.390 347 3HB ALA 57 3HB ALA 57 -22.051 -9.724 -16.415 348 H SER 58 H SER 58 -20.352 -11.137 -13.145 349 HA SER 58 HA SER 58 -22.316 -11.382 -10.952 350 1HB SER 58 2HB SER 58 -20.499 -13.206 -10.372 351 2HB SER 58 1HB SER 58 -21.590 -13.458 -11.731 352 HG SER 58 HG SER 58 -19.742 -13.684 -12.747 353 H GLY 59 H GLY 59 -20.026 -9.197 -11.493 354 1HA GLY 59 2HA GLY 59 -18.842 -7.763 -10.047 355 2HA GLY 59 1HA GLY 59 -19.608 -8.595 -8.695 356 H ALA 60 H ALA 60 -17.774 -10.368 -11.096 357 HA ALA 60 HA ALA 60 -15.534 -10.673 -9.121 358 1HB ALA 60 1HB ALA 60 -16.452 -12.737 -8.814 359 2HB ALA 60 2HB ALA 60 -15.740 -13.113 -10.384 360 3HB ALA 60 3HB ALA 60 -17.428 -12.611 -10.277 361 H ALA 61 H ALA 61 -13.559 -10.263 -10.085 362 HA ALA 61 HA ALA 61 -13.375 -10.599 -13.064 363 1HB ALA 61 1HB ALA 61 -11.571 -8.613 -12.345 364 2HB ALA 61 2HB ALA 61 -12.952 -8.310 -11.291 365 3HB ALA 61 3HB ALA 61 -13.170 -8.343 -13.040 366 H SER 62 H SER 62 -11.236 -11.093 -13.852 367 HA SER 62 HA SER 62 -9.149 -11.886 -11.902 368 1HB SER 62 2HB SER 62 -10.712 -13.729 -13.718 369 2HB SER 62 1HB SER 62 -9.121 -14.171 -13.104 370 HG SER 62 HG SER 62 -11.534 -14.163 -11.859 371 H PHE 63 H PHE 63 -7.132 -11.461 -12.831 372 HA PHE 63 HA PHE 63 -6.798 -11.635 -15.752 373 1HB PHE 63 2HB PHE 63 -6.255 -9.206 -15.920 374 2HB PHE 63 1HB PHE 63 -7.932 -9.489 -15.444 375 HD1 PHE 63 HD1 PHE 63 -8.442 -9.563 -12.887 376 HD2 PHE 63 HD2 PHE 63 -4.874 -7.872 -14.580 377 HE1 PHE 63 HE1 PHE 63 -8.049 -8.282 -10.795 378 HE2 PHE 63 HE2 PHE 63 -4.484 -6.594 -12.495 379 HZ PHE 63 HZ PHE 63 -6.070 -6.801 -10.600 380 H SER 64 H SER 64 -4.507 -10.688 -16.300 381 HA SER 64 HA SER 64 -2.622 -11.709 -14.224 382 1HB SER 64 2HB SER 64 -1.142 -11.448 -16.441 383 2HB SER 64 1HB SER 64 -2.187 -12.841 -16.187 384 HG SER 64 HG SER 64 -3.030 -10.450 -17.465 385 H PHE 65 H PHE 65 -1.771 -10.099 -12.973 386 HA PHE 65 HA PHE 65 -1.472 -7.358 -14.058 387 1HB PHE 65 2HB PHE 65 -2.555 -7.603 -11.917 388 2HB PHE 65 1HB PHE 65 -1.255 -8.636 -11.323 389 HD1 PHE 65 HD1 PHE 65 -1.635 -5.258 -12.921 390 HD2 PHE 65 HD2 PHE 65 0.300 -7.641 -9.918 391 HE1 PHE 65 HE1 PHE 65 -0.407 -3.257 -12.124 392 HE2 PHE 65 HE2 PHE 65 1.527 -5.644 -9.121 393 HZ PHE 65 HZ PHE 65 1.177 -3.451 -10.223 394 H VAL 66 H VAL 66 0.618 -6.224 -13.727 395 HA VAL 66 HA VAL 66 2.946 -8.106 -13.925 396 HB VAL 66 HB VAL 66 2.738 -5.232 -14.847 397 1HG1 VAL 66 1HG1 VAL 66 4.512 -7.473 -15.849 398 2HG1 VAL 66 2HG1 VAL 66 5.006 -6.360 -14.575 399 3HG1 VAL 66 3HG1 VAL 66 4.658 -5.749 -16.191 400 1HG2 VAL 66 1HG2 VAL 66 2.105 -7.797 -16.339 401 2HG2 VAL 66 2HG2 VAL 66 2.306 -6.225 -17.113 402 3HG2 VAL 66 3HG2 VAL 66 0.982 -6.484 -15.977 403 H VAL 67 H VAL 67 4.987 -7.268 -12.957 404 HA VAL 67 HA VAL 67 4.525 -5.338 -10.712 405 HB VAL 67 HB VAL 67 6.027 -6.953 -9.406 406 1HG1 VAL 67 1HG1 VAL 67 3.401 -8.136 -10.333 407 2HG1 VAL 67 2HG1 VAL 67 3.489 -6.746 -9.251 408 3HG1 VAL 67 3HG1 VAL 67 4.160 -8.298 -8.749 409 1HG2 VAL 67 1HG2 VAL 67 6.530 -8.093 -11.778 410 2HG2 VAL 67 2HG2 VAL 67 5.128 -9.062 -11.325 411 3HG2 VAL 67 3HG2 VAL 67 6.550 -9.029 -10.283 412 H ARG 68 H ARG 68 6.844 -4.838 -9.709 413 HA ARG 68 HA ARG 68 8.984 -4.795 -11.771 414 1HB ARG 68 2HB ARG 68 7.221 -2.578 -11.006 415 2HB ARG 68 1HB ARG 68 8.933 -2.177 -10.843 416 1HG ARG 68 2HG ARG 68 9.104 -1.954 -13.075 417 2HG ARG 68 1HG ARG 68 8.587 -3.626 -13.287 418 1HD ARG 68 2HD ARG 68 6.218 -2.916 -13.207 419 2HD ARG 68 1HD ARG 68 6.737 -1.230 -13.004 420 HE ARG 68 HE ARG 68 7.419 -2.879 -15.410 421 1HH1 ARG 68 1HH2 ARG 68 5.177 -0.781 -15.357 422 2HH1 ARG 68 2HH2 ARG 68 5.977 0.565 -16.097 423 1HH2 ARG 68 1HH1 ARG 68 9.154 -0.763 -15.699 424 2HH2 ARG 68 2HH1 ARG 68 8.228 0.574 -16.293 425 H LYS 69 H LYS 69 10.385 -5.931 -10.409 426 HA LYS 69 HA LYS 69 10.749 -5.898 -7.679 427 1HB LYS 69 2HB LYS 69 11.985 -7.284 -9.281 428 2HB LYS 69 1HB LYS 69 12.861 -5.863 -9.853 429 1HG LYS 69 2HG LYS 69 13.604 -5.548 -7.410 430 2HG LYS 69 1HG LYS 69 13.035 -7.197 -7.151 431 1HD LYS 69 2HD LYS 69 14.591 -8.086 -8.735 432 2HD LYS 69 1HD LYS 69 14.985 -6.479 -9.348 433 1HE LYS 69 2HE LYS 69 15.470 -7.193 -6.449 434 2HE LYS 69 1HE LYS 69 16.678 -7.537 -7.703 435 1HZ LYS 69 1HZ LYS 69 16.979 -5.344 -8.162 436 2HZ LYS 69 2HZ LYS 69 16.571 -5.199 -6.520 437 3HZ LYS 69 3HZ LYS 69 15.403 -4.907 -7.718 438 H SER 70 H SER 70 11.584 -3.261 -9.875 439 HA SER 70 HA SER 70 12.313 -1.618 -7.493 440 1HB SER 70 2HB SER 70 14.399 -0.950 -8.520 441 2HB SER 70 1HB SER 70 14.343 -2.710 -8.515 442 HG SER 70 HG SER 70 13.699 -0.964 -10.667 443 H TYR 71 H TYR 71 11.937 0.621 -7.798 444 HA TYR 71 HA TYR 71 11.364 1.830 -10.359 445 1HB TYR 71 2HB TYR 71 8.949 1.919 -10.204 446 2HB TYR 71 1HB TYR 71 9.428 0.234 -9.995 447 HD1 TYR 71 HD1 TYR 71 8.414 3.317 -8.173 448 HD2 TYR 71 HD2 TYR 71 9.018 -0.932 -7.958 449 HE1 TYR 71 HE1 TYR 71 7.302 3.271 -5.953 450 HE2 TYR 71 HE2 TYR 71 7.908 -0.978 -5.742 451 HH TYR 71 HH TYR 71 6.375 1.901 -4.389 452 H THR 72 H THR 72 11.031 4.117 -10.102 453 HA THR 72 HA THR 72 11.854 5.201 -7.513 454 HB THR 72 HB THR 72 10.819 6.842 -9.784 455 HG1 THR 72 HG1 THR 72 12.245 6.096 -11.121 456 1HG2 THR 72 1HG2 THR 72 13.334 7.022 -8.114 457 2HG2 THR 72 2HG2 THR 72 11.820 7.836 -7.717 458 3HG2 THR 72 3HG2 THR 72 12.690 8.262 -9.190 459 H GLY 73 H GLY 73 10.447 5.754 -5.899 460 1HA GLY 73 2HA GLY 73 7.554 5.715 -6.412 461 2HA GLY 73 1HA GLY 73 8.325 5.929 -4.840 462 H SER 74 H SER 74 6.150 7.532 -5.902 463 HA SER 74 HA SER 74 7.318 10.195 -5.479 464 1HB SER 74 2HB SER 74 6.579 11.024 -7.686 465 2HB SER 74 1HB SER 74 7.736 9.710 -7.874 466 HG SER 74 HG SER 74 5.703 9.630 -9.150 467 H THR 75 H THR 75 5.196 8.313 -4.415 468 HA THR 75 HA THR 75 3.013 8.459 -3.511 469 HB THR 75 HB THR 75 2.496 10.601 -2.665 470 HG1 THR 75 HG1 THR 75 2.251 11.942 -4.282 471 1HG2 THR 75 1HG2 THR 75 5.391 11.111 -3.262 472 2HG2 THR 75 2HG2 THR 75 4.942 9.724 -2.270 473 3HG2 THR 75 3HG2 THR 75 4.504 11.355 -1.759 474 HA PRO 76 HA PRO 76 0.274 8.526 -6.930 475 1HB PRO 76 2HB PRO 76 -2.126 8.699 -5.638 476 2HB PRO 76 1HB PRO 76 -1.151 7.215 -5.686 477 1HG PRO 76 2HG PRO 76 -1.409 9.237 -3.517 478 2HG PRO 76 1HG PRO 76 -1.293 7.472 -3.410 479 1HD PRO 76 2HD PRO 76 0.819 9.134 -2.932 480 2HD PRO 76 1HD PRO 76 1.001 7.480 -3.554 481 H GLU 77 H GLU 77 0.519 11.158 -4.727 482 HA GLU 77 HA GLU 77 -1.435 12.891 -6.052 483 1HB GLU 77 2HB GLU 77 -0.879 13.076 -3.666 484 2HB GLU 77 1HB GLU 77 0.805 13.409 -4.074 485 1HG GLU 77 2HG GLU 77 0.002 15.574 -3.801 486 2HG GLU 77 1HG GLU 77 -0.264 15.346 -5.530 487 H GLY 78 H GLY 78 1.985 13.670 -5.500 488 1HA GLY 78 2HA GLY 78 2.955 13.651 -8.130 489 2HA GLY 78 1HA GLY 78 2.153 15.210 -7.934 490 H THR 79 H THR 79 4.104 13.277 -5.639 491 HA THR 79 HA THR 79 5.961 15.626 -5.423 492 HB THR 79 HB THR 79 6.042 14.504 -2.963 493 HG1 THR 79 HG1 THR 79 4.535 12.979 -3.163 494 1HG2 THR 79 1HG2 THR 79 4.908 16.390 -2.262 495 2HG2 THR 79 2HG2 THR 79 3.687 16.252 -3.525 496 3HG2 THR 79 3HG2 THR 79 5.292 16.869 -3.915 497 HA PRO 80 HA PRO 80 8.962 12.497 -6.330 498 1HB PRO 80 2HB PRO 80 11.193 14.017 -5.873 499 2HB PRO 80 1HB PRO 80 10.201 14.173 -7.337 500 1HG PRO 80 2HG PRO 80 10.259 15.884 -4.904 501 2HG PRO 80 1HG PRO 80 10.052 16.341 -6.602 502 1HD PRO 80 2HD PRO 80 7.987 16.163 -4.803 503 2HD PRO 80 1HD PRO 80 7.795 15.966 -6.559 504 H VAL 81 H VAL 81 9.054 10.933 -4.732 505 HA VAL 81 HA VAL 81 9.808 11.656 -1.966 506 HB VAL 81 HB VAL 81 8.934 9.119 -3.340 507 1HG1 VAL 81 1HG1 VAL 81 10.166 9.536 -0.753 508 2HG1 VAL 81 2HG1 VAL 81 9.705 8.022 -1.531 509 3HG1 VAL 81 3HG1 VAL 81 8.527 8.913 -0.568 510 1HG2 VAL 81 1HG2 VAL 81 7.385 10.592 -1.240 511 2HG2 VAL 81 2HG2 VAL 81 6.791 9.581 -2.558 512 3HG2 VAL 81 3HG2 VAL 81 7.379 11.211 -2.892 513 H GLY 82 H GLY 82 10.877 9.253 -4.374 514 1HA GLY 82 2HA GLY 82 13.583 9.722 -4.438 515 2HA GLY 82 1HA GLY 82 13.382 8.802 -2.946 516 H SER 83 H SER 83 14.697 7.139 -4.070 517 HA SER 83 HA SER 83 13.312 5.692 -6.267 518 1HB SER 83 2HB SER 83 15.522 4.420 -6.193 519 2HB SER 83 1HB SER 83 15.649 6.132 -6.581 520 HG SER 83 HG SER 83 16.825 4.843 -4.624 521 H VAL 84 H VAL 84 12.597 3.534 -6.011 522 HA VAL 84 HA VAL 84 12.635 2.469 -3.205 523 HB VAL 84 HB VAL 84 10.490 2.653 -5.317 524 1HG1 VAL 84 1HG1 VAL 84 10.094 0.447 -4.757 525 2HG1 VAL 84 2HG1 VAL 84 9.213 1.242 -3.452 526 3HG1 VAL 84 3HG1 VAL 84 10.833 0.608 -3.164 527 1HG2 VAL 84 1HG2 VAL 84 9.203 3.563 -3.409 528 2HG2 VAL 84 2HG2 VAL 84 10.692 4.471 -3.661 529 3HG2 VAL 84 3HG2 VAL 84 10.587 3.295 -2.351 530 H ASP 85 H ASP 85 12.667 0.127 -3.051 531 HA ASP 85 HA ASP 85 13.187 -1.414 -5.538 532 1HB ASP 85 2HB ASP 85 15.153 -1.499 -3.246 533 2HB ASP 85 1HB ASP 85 15.392 -2.017 -4.914 534 H CYS 86 H CYS 86 11.562 -2.906 -5.166 535 HA CYS 86 HA CYS 86 10.679 -3.857 -2.630 536 1HB CYS 86 2HB CYS 86 10.632 -5.304 -5.294 537 2HB CYS 86 1HB CYS 86 9.488 -5.491 -3.967 538 H ALA 87 H ALA 87 13.572 -4.540 -4.339 539 HA ALA 87 HA ALA 87 14.032 -7.266 -3.583 540 1HB ALA 87 1HB ALA 87 15.240 -5.660 -5.238 541 2HB ALA 87 2HB ALA 87 16.222 -6.826 -4.352 542 3HB ALA 87 3HB ALA 87 16.158 -5.145 -3.823 543 H THR 88 H THR 88 15.235 -4.253 -2.102 544 HA THR 88 HA THR 88 15.635 -5.761 0.456 545 HB THR 88 HB THR 88 17.655 -4.837 -0.585 546 HG1 THR 88 HG1 THR 88 18.358 -3.838 1.202 547 1HG2 THR 88 1HG2 THR 88 17.265 -3.037 -1.908 548 2HG2 THR 88 2HG2 THR 88 17.463 -2.104 -0.425 549 3HG2 THR 88 3HG2 THR 88 15.848 -2.549 -0.978 550 H ALA 89 H ALA 89 13.324 -3.972 -0.888 551 HA ALA 89 HA ALA 89 12.827 -2.318 1.551 552 1HB ALA 89 1HB ALA 89 11.948 -0.676 0.136 553 2HB ALA 89 2HB ALA 89 11.572 -1.843 -1.133 554 3HB ALA 89 3HB ALA 89 13.242 -1.347 -0.857 555 H ALA 90 H ALA 90 10.509 -2.115 2.138 556 HA ALA 90 HA ALA 90 9.132 -4.679 2.013 557 1HB ALA 90 1HB ALA 90 8.246 -1.962 3.029 558 2HB ALA 90 2HB ALA 90 9.182 -3.126 3.966 559 3HB ALA 90 3HB ALA 90 7.537 -3.516 3.463 560 H CYS 91 H CYS 91 8.567 -5.007 -0.212 561 HA CYS 91 HA CYS 91 6.857 -2.944 -1.512 562 1HB CYS 91 2HB CYS 91 8.919 -4.423 -2.427 563 2HB CYS 91 1HB CYS 91 7.597 -5.522 -2.818 564 H ASN 92 H ASN 92 4.668 -3.228 -1.584 565 HA ASN 92 HA ASN 92 3.578 -5.978 -1.136 566 1HB ASN 92 2HB ASN 92 2.618 -3.363 0.065 567 2HB ASN 92 1HB ASN 92 1.925 -4.956 0.368 568 1HD2 ASN 92 1HD2 ASN 92 4.158 -6.559 0.770 569 2HD2 ASN 92 2HD2 ASN 92 5.058 -5.996 2.095 570 H LEU 93 H LEU 93 0.999 -5.661 -1.515 571 HA LEU 93 HA LEU 93 0.638 -4.102 -4.044 572 1HB LEU 93 2HB LEU 93 1.049 -6.523 -4.445 573 2HB LEU 93 1HB LEU 93 -0.314 -6.911 -3.396 574 HG LEU 93 HG LEU 93 -1.842 -5.715 -4.884 575 1HD1 LEU 93 1HD1 LEU 93 0.678 -5.155 -6.479 576 2HD1 LEU 93 2HD1 LEU 93 -0.345 -3.965 -5.673 577 3HD1 LEU 93 3HD1 LEU 93 -0.958 -4.855 -7.067 578 1HD2 LEU 93 1HD2 LEU 93 -0.027 -7.588 -6.445 579 2HD2 LEU 93 2HD2 LEU 93 -1.713 -7.222 -6.816 580 3HD2 LEU 93 3HD2 LEU 93 -1.304 -8.109 -5.346 581 H GLY 94 H GLY 94 -1.283 -2.932 -4.073 582 1HA GLY 94 2HA GLY 94 -3.370 -3.703 -2.086 583 2HA GLY 94 1HA GLY 94 -2.787 -2.036 -2.120 584 H ALA 95 H ALA 95 -5.491 -3.180 -2.720 585 HA ALA 95 HA ALA 95 -5.845 -1.827 -5.361 586 1HB ALA 95 1HB ALA 95 -6.387 -4.654 -4.573 587 2HB ALA 95 2HB ALA 95 -5.872 -4.005 -6.130 588 3HB ALA 95 3HB ALA 95 -7.559 -3.876 -5.635 589 H GLY 96 H GLY 96 -7.713 -0.572 -5.404 590 1HA GLY 96 2HA GLY 96 -10.139 -1.028 -4.079 591 2HA GLY 96 1HA GLY 96 -9.150 -0.104 -2.946 592 H ASN 97 H ASN 97 -11.507 0.987 -4.009 593 HA ASN 97 HA ASN 97 -10.548 2.948 -6.042 594 1HB ASN 97 2HB ASN 97 -12.614 1.357 -6.264 595 2HB ASN 97 1HB ASN 97 -13.396 2.511 -5.186 596 1HD2 ASN 97 1HD2 ASN 97 -14.802 2.885 -7.206 597 2HD2 ASN 97 2HD2 ASN 97 -14.244 4.009 -8.349 598 H SER 98 H SER 98 -12.368 4.997 -5.576 599 HA SER 98 HA SER 98 -11.209 6.483 -3.447 600 1HB SER 98 2HB SER 98 -12.360 7.475 -5.353 601 2HB SER 98 1HB SER 98 -13.871 6.703 -4.888 602 HG SER 98 HG SER 98 -13.992 8.015 -3.126 603 H GLY 99 H GLY 99 -14.089 4.405 -3.529 604 1HA GLY 99 2HA GLY 99 -14.155 4.533 -0.556 605 2HA GLY 99 1HA GLY 99 -15.644 4.858 -1.441 606 H LEU 100 H LEU 100 -13.047 2.415 -1.771 607 HA LEU 100 HA LEU 100 -14.832 0.219 -1.064 608 1HB LEU 100 2HB LEU 100 -15.486 1.105 -3.413 609 2HB LEU 100 1HB LEU 100 -13.974 0.370 -3.952 610 HG LEU 100 HG LEU 100 -15.843 -1.206 -4.240 611 1HD1 LEU 100 1HD1 LEU 100 -14.138 -2.083 -1.896 612 2HD1 LEU 100 2HD1 LEU 100 -13.527 -1.978 -3.547 613 3HD1 LEU 100 3HD1 LEU 100 -14.833 -3.098 -3.160 614 1HD2 LEU 100 1HD2 LEU 100 -16.136 -1.148 -1.226 615 2HD2 LEU 100 2HD2 LEU 100 -17.173 -1.962 -2.398 616 3HD2 LEU 100 3HD2 LEU 100 -17.167 -0.201 -2.301 617 H ASP 101 H ASP 101 -12.787 0.039 0.267 618 HA ASP 101 HA ASP 101 -10.289 -0.646 -1.067 619 1HB ASP 101 2HB ASP 101 -9.697 -1.308 1.343 620 2HB ASP 101 1HB ASP 101 -10.194 0.366 1.103 621 H LEU 102 H LEU 102 -9.740 -2.639 -1.841 622 HA LEU 102 HA LEU 102 -11.570 -4.910 -1.390 623 1HB LEU 102 2HB LEU 102 -9.158 -4.419 -3.160 624 2HB LEU 102 1HB LEU 102 -10.098 -5.912 -3.179 625 HG LEU 102 HG LEU 102 -11.399 -3.214 -3.559 626 1HD1 LEU 102 1HD1 LEU 102 -9.645 -4.663 -5.381 627 2HD1 LEU 102 2HD1 LEU 102 -10.341 -3.051 -5.546 628 3HD1 LEU 102 3HD1 LEU 102 -11.264 -4.466 -6.052 629 1HD2 LEU 102 1HD2 LEU 102 -13.221 -4.547 -3.470 630 2HD2 LEU 102 2HD2 LEU 102 -12.230 -6.006 -3.489 631 3HD2 LEU 102 3HD2 LEU 102 -12.694 -5.234 -5.006 632 H GLY 103 H GLY 103 -8.103 -5.241 -1.846 633 1HA GLY 103 2HA GLY 103 -7.666 -6.034 0.953 634 2HA GLY 103 1HA GLY 103 -7.548 -7.339 -0.230 635 H HIS 104 H HIS 104 -5.270 -7.065 0.965 636 HA HIS 104 HA HIS 104 -3.548 -5.563 -0.957 637 1HB HIS 104 2HB HIS 104 -3.433 -5.531 2.075 638 2HB HIS 104 1HB HIS 104 -2.227 -4.793 1.022 639 HD1 HIS 104 HD1 HIS 104 -5.733 -4.364 2.266 640 HD2 HIS 104 HD2 HIS 104 -3.106 -2.433 -0.328 641 HE1 HIS 104 HE1 HIS 104 -6.768 -2.110 1.745 642 H VAL 105 H VAL 105 -2.193 -7.078 -1.827 643 HA VAL 105 HA VAL 105 -1.485 -9.489 -0.194 644 HB VAL 105 HB VAL 105 -1.203 -8.904 -3.156 645 1HG1 VAL 105 1HG1 VAL 105 -1.458 -11.681 -2.467 646 2HG1 VAL 105 2HG1 VAL 105 -0.160 -10.975 -1.505 647 3HG1 VAL 105 3HG1 VAL 105 -0.110 -10.869 -3.263 648 1HG2 VAL 105 1HG2 VAL 105 -3.206 -10.460 -3.294 649 2HG2 VAL 105 2HG2 VAL 105 -3.545 -8.874 -2.601 650 3HG2 VAL 105 3HG2 VAL 105 -3.373 -10.278 -1.548 651 H ALA 106 H ALA 106 0.560 -9.581 0.652 652 HA ALA 106 HA ALA 106 2.546 -7.537 -0.020 653 1HB ALA 106 1HB ALA 106 2.053 -8.549 2.255 654 2HB ALA 106 2HB ALA 106 3.759 -8.555 1.805 655 3HB ALA 106 3HB ALA 106 2.808 -10.035 1.677 656 H LEU 107 H LEU 107 4.448 -7.860 -1.215 657 HA LEU 107 HA LEU 107 4.691 -10.517 -2.610 658 1HB LEU 107 2HB LEU 107 5.676 -7.820 -3.568 659 2HB LEU 107 1HB LEU 107 5.402 -9.276 -4.523 660 HG LEU 107 HG LEU 107 3.243 -7.684 -3.115 661 1HD1 LEU 107 1HD1 LEU 107 2.565 -7.040 -5.391 662 2HD1 LEU 107 2HD1 LEU 107 3.921 -7.945 -6.060 663 3HD1 LEU 107 3HD1 LEU 107 4.217 -6.516 -5.070 664 1HD2 LEU 107 1HD2 LEU 107 3.347 -10.319 -4.464 665 2HD2 LEU 107 2HD2 LEU 107 2.011 -9.279 -4.955 666 3HD2 LEU 107 3HD2 LEU 107 2.209 -9.718 -3.259 667 H THR 108 H THR 108 7.073 -10.762 -3.461 668 HA THR 108 HA THR 108 9.158 -9.554 -1.775 669 HB THR 108 HB THR 108 9.128 -12.492 -1.556 670 HG1 THR 108 HG1 THR 108 7.010 -12.364 -1.211 671 1HG2 THR 108 1HG2 THR 108 9.445 -11.739 0.907 672 2HG2 THR 108 2HG2 THR 108 9.593 -10.117 0.232 673 3HG2 THR 108 3HG2 THR 108 10.731 -11.378 -0.244 674 H PHE 109 H PHE 109 10.757 -9.240 -3.277 675 HA PHE 109 HA PHE 109 10.949 -11.017 -5.631 676 1HB PHE 109 2HB PHE 109 12.243 -8.447 -4.704 677 2HB PHE 109 1HB PHE 109 12.764 -9.275 -6.173 678 HD1 PHE 109 HD1 PHE 109 11.633 -8.915 -8.189 679 HD2 PHE 109 HD2 PHE 109 9.693 -7.957 -4.478 680 HE1 PHE 109 HE1 PHE 109 9.749 -7.907 -9.442 681 HE2 PHE 109 HE2 PHE 109 7.802 -6.947 -5.732 682 HZ PHE 109 HZ PHE 109 7.832 -6.922 -8.215 683 H GLY 110 H GLY 110 12.857 -12.223 -6.128 684 1HA GLY 110 2HA GLY 110 15.085 -13.041 -5.665 685 2HA GLY 110 1HA GLY 110 14.953 -12.386 -4.031 686 2H2' ROM 111 2H2' ROM 111 -9.674 5.221 -8.493 687 2H3' ROM 111 2H3' ROM 111 -7.826 6.125 -9.997 688 H'1 ROM 111 H'1 ROM 111 -3.173 4.111 -9.444 689 3H18 ROM 111 3H18 ROM 111 -4.854 0.837 -0.100 690 2H18 ROM 111 2H18 ROM 111 -3.459 0.979 0.858 691 2H23 ROM 111 2H23 ROM 111 -5.355 7.291 -1.426 692 H1' ROM 111 H1' ROM 111 -7.742 7.061 -6.818 693 H2' ROM 111 H2' ROM 111 -10.600 7.506 -7.654 694 H3' ROM 111 H3' ROM 111 -9.698 7.027 -9.895 695 H4' ROM 111 H4' ROM 111 -9.824 9.344 -9.128 696 1H6B ROM 111 1H6B ROM 111 -7.011 11.253 -7.696 697 3H6B ROM 111 3H6B ROM 111 -8.176 11.253 -9.019 698 2H6B ROM 111 2H6B ROM 111 -8.740 11.287 -7.348 699 1H6A ROM 111 1H6A ROM 111 -6.198 9.112 -9.123 700 3H6A ROM 111 3H6A ROM 111 -5.941 9.355 -7.396 701 2H6A ROM 111 2H6A ROM 111 -6.533 7.806 -7.989 702 1H4B ROM 111 1H4B ROM 111 -6.670 8.025 -10.564 703 3H4B ROM 111 3H4B ROM 111 -8.161 7.447 -11.326 704 2H4B ROM 111 2H4B ROM 111 -7.178 8.684 -12.129 705 1H4A ROM 111 1H4A ROM 111 -9.834 10.668 -10.830 706 3H4A ROM 111 3H4A ROM 111 -8.859 10.264 -12.256 707 2H4A ROM 111 2H4A ROM 111 -10.003 9.080 -11.601 708 H'8 ROM 111 H'8 ROM 111 0.432 5.592 -6.878 709 H'6 ROM 111 H'6 ROM 111 0.344 8.084 -10.342 710 1H3A ROM 111 1H3A ROM 111 -3.631 6.686 -13.687 711 2H3A ROM 111 2H3A ROM 111 -4.404 7.910 -12.531 712 1H7A ROM 111 1H7A ROM 111 2.257 5.729 -7.470 713 3H7A ROM 111 3H7A ROM 111 3.138 6.374 -8.853 714 2H7A ROM 111 2H7A ROM 111 3.416 7.036 -7.243 715 H3 ROM 111 H3 ROM 111 -4.410 6.069 -5.977 716 H6 ROM 111 H6 ROM 111 -7.415 2.845 -3.742 717 H5 ROM 111 H5 ROM 111 -5.288 2.041 -4.739 718 H12 ROM 111 H12 ROM 111 -5.188 8.430 -4.890 719 H8 ROM 111 H8 ROM 111 -9.201 5.075 -4.101 720 H13 ROM 111 H13 ROM 111 -3.531 2.606 -6.539 721 H10 ROM 111 H10 ROM 111 -8.846 8.424 -2.756 722 H11 ROM 111 H11 ROM 111 -6.620 9.732 -3.192 723 2H14 ROM 111 2H14 ROM 111 -1.590 2.593 -5.200 724 1H14 ROM 111 1H14 ROM 111 -1.970 4.162 -4.481 725 2H17 ROM 111 2H17 ROM 111 -3.561 1.172 -1.849 726 1H17 ROM 111 1H17 ROM 111 -2.078 1.712 -1.069 727 H18 ROM 111 H18 ROM 111 -3.233 3.288 0.283 728 H20 ROM 111 H20 ROM 111 -6.428 1.842 -0.573 729 H24 ROM 111 H24 ROM 111 -3.905 5.226 -1.185 730 4H18 ROM 111 4H18 ROM 111 -4.878 1.808 1.294 Start of MODEL 29 1 1H ALA 1 1H ALA 1 -19.406 -8.754 2.702 2 2H ALA 1 2H ALA 1 -18.827 -7.865 1.376 3 3H ALA 1 3H ALA 1 -18.774 -7.196 2.937 4 HA ALA 1 HA ALA 1 -16.632 -7.893 2.899 5 1HB ALA 1 1HB ALA 1 -16.545 -10.126 3.943 6 2HB ALA 1 2HB ALA 1 -18.180 -10.463 3.372 7 3HB ALA 1 3HB ALA 1 -17.909 -9.207 4.580 8 HA PRO 2 HA PRO 2 -16.579 -9.689 -1.348 9 1HB PRO 2 2HB PRO 2 -14.735 -7.924 -2.349 10 2HB PRO 2 1HB PRO 2 -16.480 -7.604 -2.341 11 1HG PRO 2 2HG PRO 2 -14.361 -6.603 -0.515 12 2HG PRO 2 1HG PRO 2 -15.795 -5.777 -1.147 13 1HD PRO 2 2HD PRO 2 -15.629 -6.810 1.390 14 2HD PRO 2 1HD PRO 2 -17.155 -6.600 0.504 15 H ALA 3 H ALA 3 -13.975 -9.577 -2.555 16 HA ALA 3 HA ALA 3 -12.065 -10.598 -0.552 17 1HB ALA 3 1HB ALA 3 -12.192 -12.808 -1.206 18 2HB ALA 3 2HB ALA 3 -12.653 -12.396 -2.858 19 3HB ALA 3 3HB ALA 3 -13.851 -12.330 -1.565 20 H PHE 4 H PHE 4 -10.039 -11.431 -1.874 21 HA PHE 4 HA PHE 4 -9.543 -10.393 -4.523 22 1HB PHE 4 2HB PHE 4 -9.774 -8.256 -3.355 23 2HB PHE 4 1HB PHE 4 -8.655 -8.782 -2.098 24 HD1 PHE 4 HD1 PHE 4 -6.261 -9.528 -2.938 25 HD2 PHE 4 HD2 PHE 4 -8.957 -7.035 -5.168 26 HE1 PHE 4 HE1 PHE 4 -4.357 -8.664 -4.277 27 HE2 PHE 4 HE2 PHE 4 -7.054 -6.173 -6.506 28 HZ PHE 4 HZ PHE 4 -4.750 -6.986 -6.060 29 H SER 5 H SER 5 -8.012 -11.944 -5.143 30 HA SER 5 HA SER 5 -5.728 -12.428 -3.267 31 1HB SER 5 2HB SER 5 -7.773 -14.060 -3.159 32 2HB SER 5 1HB SER 5 -7.108 -14.704 -4.658 33 HG SER 5 HG SER 5 -5.616 -15.638 -3.524 34 H VAL 6 H VAL 6 -3.942 -13.605 -4.322 35 HA VAL 6 HA VAL 6 -3.854 -13.334 -7.304 36 HB VAL 6 HB VAL 6 -2.805 -11.438 -5.955 37 1HG1 VAL 6 1HG1 VAL 6 -1.953 -12.676 -4.078 38 2HG1 VAL 6 2HG1 VAL 6 -0.566 -12.021 -4.947 39 3HG1 VAL 6 3HG1 VAL 6 -1.002 -13.719 -5.129 40 1HG2 VAL 6 1HG2 VAL 6 -0.721 -11.415 -7.280 41 2HG2 VAL 6 2HG2 VAL 6 -2.082 -11.951 -8.265 42 3HG2 VAL 6 3HG2 VAL 6 -0.930 -13.129 -7.638 43 H SER 7 H SER 7 -2.732 -15.108 -8.292 44 HA SER 7 HA SER 7 -2.509 -17.555 -6.966 45 1HB SER 7 2HB SER 7 -1.416 -16.322 -9.428 46 2HB SER 7 1HB SER 7 -0.619 -17.799 -8.887 47 HG SER 7 HG SER 7 -3.314 -17.361 -9.609 48 HA PRO 8 HA PRO 8 1.870 -17.015 -5.566 49 1HB PRO 8 2HB PRO 8 3.725 -15.537 -6.890 50 2HB PRO 8 1HB PRO 8 3.254 -17.166 -7.409 51 1HG PRO 8 2HG PRO 8 2.629 -14.576 -8.619 52 2HG PRO 8 1HG PRO 8 2.628 -16.186 -9.342 53 1HD PRO 8 2HD PRO 8 0.367 -14.666 -8.443 54 2HD PRO 8 1HD PRO 8 0.404 -16.294 -9.122 55 H ALA 9 H ALA 9 3.357 -15.431 -4.340 56 HA ALA 9 HA ALA 9 2.663 -12.596 -4.341 57 1HB ALA 9 1HB ALA 9 0.729 -13.958 -3.262 58 2HB ALA 9 2HB ALA 9 1.331 -12.548 -2.390 59 3HB ALA 9 3HB ALA 9 1.835 -14.166 -1.905 60 H SER 10 H SER 10 4.998 -14.534 -4.263 61 HA SER 10 HA SER 10 6.648 -13.021 -2.384 62 1HB SER 10 2HB SER 10 6.735 -14.547 -0.683 63 2HB SER 10 1HB SER 10 5.203 -15.108 -1.346 64 HG SER 10 HG SER 10 6.181 -16.804 -2.184 65 H GLY 11 H GLY 11 8.965 -13.932 -2.462 66 1HA GLY 11 2HA GLY 11 10.787 -14.359 -3.906 67 2HA GLY 11 1HA GLY 11 9.949 -15.894 -4.140 68 H LEU 12 H LEU 12 8.775 -12.694 -5.091 69 HA LEU 12 HA LEU 12 8.151 -13.631 -7.776 70 1HB LEU 12 2HB LEU 12 8.165 -10.880 -6.507 71 2HB LEU 12 1HB LEU 12 7.362 -11.306 -8.020 72 HG LEU 12 HG LEU 12 6.764 -12.539 -5.317 73 1HD1 LEU 12 1HD1 LEU 12 6.001 -10.201 -5.511 74 2HD1 LEU 12 2HD1 LEU 12 4.634 -11.317 -5.504 75 3HD1 LEU 12 3HD1 LEU 12 5.177 -10.597 -7.019 76 1HD2 LEU 12 1HD2 LEU 12 6.275 -14.182 -6.945 77 2HD2 LEU 12 2HD2 LEU 12 5.722 -12.984 -8.114 78 3HD2 LEU 12 3HD2 LEU 12 4.732 -13.363 -6.704 79 H SER 13 H SER 13 8.834 -11.327 -9.282 80 HA SER 13 HA SER 13 11.720 -10.841 -9.103 81 1HB SER 13 2HB SER 13 10.509 -12.962 -10.772 82 2HB SER 13 1HB SER 13 11.686 -11.945 -11.596 83 HG SER 13 HG SER 13 13.171 -12.446 -9.972 84 H ASP 14 H ASP 14 12.419 -9.329 -10.829 85 HA ASP 14 HA ASP 14 10.488 -7.320 -11.447 86 1HB ASP 14 2HB ASP 14 12.987 -7.084 -11.274 87 2HB ASP 14 1HB ASP 14 13.126 -7.937 -12.813 88 H GLY 15 H GLY 15 8.980 -7.276 -13.073 89 1HA GLY 15 2HA GLY 15 8.193 -7.599 -15.315 90 2HA GLY 15 1HA GLY 15 9.522 -8.727 -15.583 91 H GLN 16 H GLN 16 8.888 -10.088 -12.987 92 HA GLN 16 HA GLN 16 7.434 -12.300 -13.858 93 1HB GLN 16 2HB GLN 16 8.630 -12.350 -11.792 94 2HB GLN 16 1HB GLN 16 7.721 -10.981 -11.156 95 1HG GLN 16 2HG GLN 16 6.180 -12.374 -10.301 96 2HG GLN 16 1HG GLN 16 5.862 -13.027 -11.905 97 1HE2 GLN 16 1HE2 GLN 16 5.767 -14.758 -9.693 98 2HE2 GLN 16 2HE2 GLN 16 7.089 -15.813 -9.749 99 H SER 17 H SER 17 5.301 -12.651 -14.340 100 HA SER 17 HA SER 17 3.341 -10.512 -13.599 101 1HB SER 17 2HB SER 17 2.923 -12.634 -15.685 102 2HB SER 17 1HB SER 17 2.292 -10.992 -15.639 103 HG SER 17 HG SER 17 4.599 -10.373 -15.830 104 H VAL 18 H VAL 18 1.811 -11.089 -12.117 105 HA VAL 18 HA VAL 18 1.469 -13.969 -11.438 106 HB VAL 18 HB VAL 18 0.564 -12.984 -9.322 107 1HG1 VAL 18 1HG1 VAL 18 3.109 -11.506 -9.740 108 2HG1 VAL 18 2HG1 VAL 18 3.150 -13.237 -10.073 109 3HG1 VAL 18 3HG1 VAL 18 2.670 -12.657 -8.478 110 1HG2 VAL 18 1HG2 VAL 18 1.552 -10.289 -10.130 111 2HG2 VAL 18 2HG2 VAL 18 0.225 -10.721 -9.051 112 3HG2 VAL 18 3HG2 VAL 18 0.000 -10.792 -10.799 113 H SER 19 H SER 19 -0.727 -14.797 -11.194 114 HA SER 19 HA SER 19 -2.693 -13.438 -12.965 115 1HB SER 19 2HB SER 19 -2.290 -15.772 -13.373 116 2HB SER 19 1HB SER 19 -2.457 -16.164 -11.665 117 HG SER 19 HG SER 19 -4.324 -16.444 -13.277 118 H VAL 20 H VAL 20 -3.876 -11.897 -11.836 119 HA VAL 20 HA VAL 20 -4.603 -12.398 -9.008 120 HB VAL 20 HB VAL 20 -4.960 -10.067 -10.908 121 1HG1 VAL 20 1HG1 VAL 20 -6.724 -9.956 -9.270 122 2HG1 VAL 20 2HG1 VAL 20 -5.473 -8.820 -8.763 123 3HG1 VAL 20 3HG1 VAL 20 -5.616 -10.387 -7.968 124 1HG2 VAL 20 1HG2 VAL 20 -3.058 -9.148 -9.923 125 2HG2 VAL 20 2HG2 VAL 20 -2.639 -10.861 -9.945 126 3HG2 VAL 20 3HG2 VAL 20 -3.226 -10.115 -8.459 127 H SER 21 H SER 21 -6.877 -11.893 -8.369 128 HA SER 21 HA SER 21 -9.029 -12.103 -10.315 129 1HB SER 21 2HB SER 21 -9.666 -14.364 -9.876 130 2HB SER 21 1HB SER 21 -7.926 -14.418 -10.148 131 HG SER 21 HG SER 21 -7.981 -15.388 -8.263 132 H VAL 22 H VAL 22 -10.413 -10.696 -9.293 133 HA VAL 22 HA VAL 22 -10.657 -10.822 -6.328 134 HB VAL 22 HB VAL 22 -11.599 -8.693 -8.256 135 1HG1 VAL 22 1HG1 VAL 22 -11.312 -7.258 -6.215 136 2HG1 VAL 22 2HG1 VAL 22 -10.951 -8.718 -5.294 137 3HG1 VAL 22 3HG1 VAL 22 -12.542 -8.506 -6.024 138 1HG2 VAL 22 1HG2 VAL 22 -8.879 -9.258 -7.111 139 2HG2 VAL 22 2HG2 VAL 22 -9.379 -7.585 -7.361 140 3HG2 VAL 22 3HG2 VAL 22 -9.312 -8.699 -8.728 141 H SER 23 H SER 23 -12.976 -10.263 -5.572 142 HA SER 23 HA SER 23 -15.199 -10.880 -7.361 143 1HB SER 23 2HB SER 23 -13.913 -13.070 -6.864 144 2HB SER 23 1HB SER 23 -14.576 -12.939 -5.238 145 HG SER 23 HG SER 23 -16.567 -13.238 -6.015 146 H GLY 24 H GLY 24 -17.256 -10.660 -6.245 147 1HA GLY 24 2HA GLY 24 -18.622 -10.247 -4.307 148 2HA GLY 24 1HA GLY 24 -17.157 -9.924 -3.379 149 H ALA 25 H ALA 25 -16.534 -8.273 -6.086 150 HA ALA 25 HA ALA 25 -17.148 -5.692 -4.900 151 1HB ALA 25 1HB ALA 25 -15.380 -5.349 -6.269 152 2HB ALA 25 2HB ALA 25 -16.518 -5.366 -7.616 153 3HB ALA 25 3HB ALA 25 -15.689 -6.851 -7.141 154 H ALA 26 H ALA 26 -18.793 -7.804 -7.166 155 HA ALA 26 HA ALA 26 -21.003 -7.646 -8.017 156 1HB ALA 26 1HB ALA 26 -21.308 -4.894 -6.890 157 2HB ALA 26 2HB ALA 26 -21.083 -6.218 -5.748 158 3HB ALA 26 3HB ALA 26 -22.447 -6.241 -6.869 159 H ALA 27 H ALA 27 -21.566 -7.120 -10.056 160 HA ALA 27 HA ALA 27 -19.959 -5.601 -11.797 161 1HB ALA 27 1HB ALA 27 -22.797 -5.748 -12.501 162 2HB ALA 27 2HB ALA 27 -22.167 -7.279 -11.894 163 3HB ALA 27 3HB ALA 27 -21.410 -6.504 -13.286 164 H GLY 28 H GLY 28 -19.974 -3.462 -12.389 165 1HA GLY 28 2HA GLY 28 -21.304 -1.384 -12.740 166 2HA GLY 28 1HA GLY 28 -22.070 -1.725 -11.193 167 H GLU 29 H GLU 29 -18.789 -2.513 -11.061 168 HA GLU 29 HA GLU 29 -18.005 0.228 -10.195 169 1HB GLU 29 2HB GLU 29 -18.288 -2.256 -8.542 170 2HB GLU 29 1HB GLU 29 -17.034 -1.089 -8.123 171 1HG GLU 29 2HG GLU 29 -18.538 0.477 -7.422 172 2HG GLU 29 1HG GLU 29 -19.701 0.068 -8.682 173 H THR 30 H THR 30 -15.787 0.596 -10.328 174 HA THR 30 HA THR 30 -14.139 -1.612 -11.513 175 HB THR 30 HB THR 30 -13.951 1.397 -11.883 176 HG1 THR 30 HG1 THR 30 -15.702 0.891 -12.999 177 1HG2 THR 30 1HG2 THR 30 -11.820 0.261 -12.234 178 2HG2 THR 30 2HG2 THR 30 -12.482 0.759 -13.791 179 3HG2 THR 30 3HG2 THR 30 -12.598 -0.927 -13.281 180 H TYR 31 H TYR 31 -11.757 -1.349 -10.971 181 HA TYR 31 HA TYR 31 -11.245 0.182 -8.463 182 1HB TYR 31 2HB TYR 31 -10.838 -2.796 -8.885 183 2HB TYR 31 1HB TYR 31 -10.289 -1.903 -7.468 184 HD1 TYR 31 HD1 TYR 31 -11.865 -1.063 -5.810 185 HD2 TYR 31 HD2 TYR 31 -13.234 -3.162 -9.299 186 HE1 TYR 31 HE1 TYR 31 -14.108 -1.309 -4.782 187 HE2 TYR 31 HE2 TYR 31 -15.477 -3.409 -8.270 188 HH TYR 31 HH TYR 31 -16.842 -2.431 -6.584 189 H TYR 32 H TYR 32 -8.914 0.468 -8.060 190 HA TYR 32 HA TYR 32 -7.259 -0.045 -10.514 191 1HB TYR 32 2HB TYR 32 -7.474 2.277 -8.578 192 2HB TYR 32 1HB TYR 32 -6.068 2.083 -9.626 193 HD1 TYR 32 HD1 TYR 32 -9.699 2.735 -9.520 194 HD2 TYR 32 HD2 TYR 32 -6.242 2.356 -12.042 195 HE1 TYR 32 HE1 TYR 32 -10.958 3.755 -11.401 196 HE2 TYR 32 HE2 TYR 32 -7.500 3.374 -13.921 197 HH TYR 32 HH TYR 32 -10.666 3.559 -14.126 198 H ILE 33 H ILE 33 -5.566 -1.412 -10.086 199 HA ILE 33 HA ILE 33 -4.733 -1.792 -7.236 200 HB ILE 33 HB ILE 33 -5.632 -3.685 -8.671 201 1HG1 ILE 33 2HG1 ILE 33 -2.736 -4.089 -7.879 202 2HG1 ILE 33 1HG1 ILE 33 -4.042 -3.964 -6.699 203 1HG2 ILE 33 1HG2 ILE 33 -4.506 -4.416 -10.566 204 2HG2 ILE 33 2HG2 ILE 33 -2.970 -3.723 -10.048 205 3HG2 ILE 33 3HG2 ILE 33 -4.238 -2.677 -10.684 206 1HD1 ILE 33 1HD1 ILE 33 -4.052 -5.950 -8.985 207 2HD1 ILE 33 2HD1 ILE 33 -5.154 -5.899 -7.609 208 3HD1 ILE 33 3HD1 ILE 33 -3.462 -6.334 -7.368 209 H ALA 34 H ALA 34 -2.623 -1.347 -6.637 210 HA ALA 34 HA ALA 34 -0.555 -0.939 -8.732 211 1HB ALA 34 1HB ALA 34 -1.885 1.170 -7.074 212 2HB ALA 34 2HB ALA 34 -1.338 1.247 -8.749 213 3HB ALA 34 3HB ALA 34 -0.168 1.354 -7.435 214 H GLN 35 H GLN 35 1.543 -1.199 -7.904 215 HA GLN 35 HA GLN 35 1.713 -2.312 -5.166 216 1HB GLN 35 2HB GLN 35 2.691 -3.556 -7.002 217 2HB GLN 35 1HB GLN 35 3.597 -2.139 -7.533 218 1HG GLN 35 2HG GLN 35 4.417 -2.314 -4.941 219 2HG GLN 35 1HG GLN 35 4.166 -4.016 -5.321 220 1HE2 GLN 35 1HE2 GLN 35 4.844 -3.819 -8.159 221 2HE2 GLN 35 2HE2 GLN 35 6.511 -3.519 -8.254 222 H CYS 36 H CYS 36 2.595 -1.179 -3.492 223 HA CYS 36 HA CYS 36 4.157 1.308 -4.137 224 1HB CYS 36 2HB CYS 36 2.093 0.761 -1.996 225 2HB CYS 36 1HB CYS 36 3.066 2.228 -2.072 226 H ALA 37 H ALA 37 5.412 2.022 -2.051 227 HA ALA 37 HA ALA 37 6.177 0.039 -0.100 228 1HB ALA 37 1HB ALA 37 8.156 -0.799 -1.055 229 2HB ALA 37 2HB ALA 37 8.276 0.540 -2.198 230 3HB ALA 37 3HB ALA 37 7.068 -0.721 -2.440 231 HA PRO 38 HA PRO 38 7.712 3.919 1.402 232 1HB PRO 38 2HB PRO 38 8.493 3.044 3.862 233 2HB PRO 38 1HB PRO 38 6.797 3.318 3.426 234 1HG PRO 38 2HG PRO 38 8.282 0.775 3.704 235 2HG PRO 38 1HG PRO 38 6.568 1.118 3.973 236 1HD PRO 38 2HD PRO 38 7.656 -0.127 1.716 237 2HD PRO 38 1HD PRO 38 6.023 0.559 1.846 238 H VAL 39 H VAL 39 9.811 4.788 2.276 239 HA VAL 39 HA VAL 39 12.199 3.086 2.155 240 HB VAL 39 HB VAL 39 11.422 5.018 -0.018 241 1HG1 VAL 39 1HG1 VAL 39 14.015 4.083 -0.555 242 2HG1 VAL 39 2HG1 VAL 39 14.054 4.607 1.129 243 3HG1 VAL 39 3HG1 VAL 39 13.557 5.734 -0.133 244 1HG2 VAL 39 1HG2 VAL 39 10.808 2.858 -0.663 245 2HG2 VAL 39 2HG2 VAL 39 12.163 2.116 0.189 246 3HG2 VAL 39 3HG2 VAL 39 12.438 2.976 -1.326 247 H GLY 40 H GLY 40 13.179 3.924 3.989 248 1HA GLY 40 2HA GLY 40 14.488 5.560 5.129 249 2HA GLY 40 1HA GLY 40 13.919 6.774 3.982 250 H GLY 41 H GLY 41 11.159 5.295 4.809 251 1HA GLY 41 2HA GLY 41 10.022 5.524 7.089 252 2HA GLY 41 1HA GLY 41 10.702 7.153 7.109 253 H GLN 42 H GLN 42 10.250 7.650 4.274 254 HA GLN 42 HA GLN 42 7.442 8.481 4.438 255 1HB GLN 42 2HB GLN 42 9.585 8.715 2.300 256 2HB GLN 42 1HB GLN 42 8.030 9.548 2.258 257 1HG GLN 42 2HG GLN 42 8.603 11.004 3.955 258 2HG GLN 42 1HG GLN 42 9.697 9.848 4.717 259 1HE2 GLN 42 1HE2 GLN 42 10.646 12.452 4.305 260 2HE2 GLN 42 2HE2 GLN 42 11.800 12.453 3.062 261 H ASP 43 H ASP 43 6.094 8.103 2.332 262 HA ASP 43 HA ASP 43 6.371 5.223 1.535 263 1HB ASP 43 2HB ASP 43 3.904 6.977 1.740 264 2HB ASP 43 1HB ASP 43 3.928 5.242 1.422 265 H ALA 44 H ALA 44 6.303 4.765 -0.677 266 HA ALA 44 HA ALA 44 5.665 7.011 -2.548 267 1HB ALA 44 1HB ALA 44 8.069 7.007 -2.207 268 2HB ALA 44 2HB ALA 44 7.746 6.332 -3.801 269 3HB ALA 44 3HB ALA 44 8.141 5.262 -2.458 270 H CYS 45 H CYS 45 4.352 6.297 -4.198 271 HA CYS 45 HA CYS 45 3.956 3.352 -4.515 272 1HB CYS 45 2HB CYS 45 2.370 5.855 -4.973 273 2HB CYS 45 1HB CYS 45 1.938 4.400 -5.868 274 H ASN 46 H ASN 46 3.601 2.578 -6.813 275 HA ASN 46 HA ASN 46 5.521 3.949 -8.660 276 1HB ASN 46 2HB ASN 46 5.538 1.441 -7.777 277 2HB ASN 46 1HB ASN 46 4.392 1.211 -9.098 278 1HD2 ASN 46 1HD2 ASN 46 6.289 -0.159 -9.979 279 2HD2 ASN 46 2HD2 ASN 46 7.476 0.649 -10.884 280 HA PRO 47 HA PRO 47 1.699 5.016 -10.802 281 1HB PRO 47 2HB PRO 47 2.831 6.935 -12.382 282 2HB PRO 47 1HB PRO 47 2.353 7.230 -10.697 283 1HG PRO 47 2HG PRO 47 5.053 6.711 -11.835 284 2HG PRO 47 1HG PRO 47 4.570 7.788 -10.515 285 1HD PRO 47 2HD PRO 47 5.723 5.319 -10.145 286 2HD PRO 47 1HD PRO 47 4.686 6.127 -8.949 287 H ALA 48 H ALA 48 4.667 3.700 -11.893 288 HA ALA 48 HA ALA 48 4.043 3.575 -14.739 289 1HB ALA 48 1HB ALA 48 6.231 3.164 -13.013 290 2HB ALA 48 2HB ALA 48 6.234 3.029 -14.772 291 3HB ALA 48 3HB ALA 48 5.930 1.604 -13.777 292 H THR 49 H THR 49 4.076 1.184 -12.091 293 HA THR 49 HA THR 49 2.664 -0.771 -13.814 294 HB THR 49 HB THR 49 3.121 -2.255 -11.857 295 HG1 THR 49 HG1 THR 49 3.304 -1.200 -10.058 296 1HG2 THR 49 1HG2 THR 49 5.774 -1.327 -11.979 297 2HG2 THR 49 2HG2 THR 49 5.047 -0.894 -13.526 298 3HG2 THR 49 3HG2 THR 49 5.037 -2.573 -12.987 299 H ALA 50 H ALA 50 0.466 -0.662 -13.848 300 HA ALA 50 HA ALA 50 -1.164 -0.839 -11.503 301 1HB ALA 50 1HB ALA 50 -0.512 1.874 -12.615 302 2HB ALA 50 2HB ALA 50 -0.639 1.365 -10.931 303 3HB ALA 50 3HB ALA 50 -2.098 1.599 -11.894 304 H THR 51 H THR 51 -3.189 -1.525 -12.170 305 HA THR 51 HA THR 51 -4.085 -0.827 -14.939 306 HB THR 51 HB THR 51 -2.935 -2.988 -15.011 307 HG1 THR 51 HG1 THR 51 -4.532 -3.328 -16.329 308 1HG2 THR 51 1HG2 THR 51 -4.935 -4.079 -13.046 309 2HG2 THR 51 2HG2 THR 51 -3.427 -3.357 -12.483 310 3HG2 THR 51 3HG2 THR 51 -3.388 -4.765 -13.544 311 H SER 52 H SER 52 -6.392 -0.855 -15.179 312 HA SER 52 HA SER 52 -7.886 -0.822 -12.589 313 1HB SER 52 2HB SER 52 -9.028 0.175 -15.155 314 2HB SER 52 1HB SER 52 -9.136 0.870 -13.540 315 HG SER 52 HG SER 52 -7.468 1.497 -15.505 316 H PHE 53 H PHE 53 -9.358 -2.432 -12.216 317 HA PHE 53 HA PHE 53 -10.358 -4.004 -14.576 318 1HB PHE 53 2HB PHE 53 -10.085 -6.012 -13.193 319 2HB PHE 53 1HB PHE 53 -8.554 -5.141 -13.288 320 HD1 PHE 53 HD1 PHE 53 -11.502 -5.828 -11.144 321 HD2 PHE 53 HD2 PHE 53 -7.567 -4.119 -11.352 322 HE1 PHE 53 HE1 PHE 53 -11.457 -5.633 -8.672 323 HE2 PHE 53 HE2 PHE 53 -7.522 -3.924 -8.880 324 HZ PHE 53 HZ PHE 53 -9.467 -4.681 -7.540 325 H THR 54 H THR 54 -12.571 -4.295 -14.592 326 HA THR 54 HA THR 54 -14.110 -3.367 -12.191 327 HB THR 54 HB THR 54 -14.859 -3.650 -15.123 328 HG1 THR 54 HG1 THR 54 -13.777 -1.857 -15.187 329 1HG2 THR 54 1HG2 THR 54 -16.673 -3.819 -13.239 330 2HG2 THR 54 2HG2 THR 54 -16.958 -2.751 -14.611 331 3HG2 THR 54 3HG2 THR 54 -16.406 -2.085 -13.075 332 H THR 55 H THR 55 -16.050 -4.643 -11.625 333 HA THR 55 HA THR 55 -15.570 -7.531 -11.871 334 HB THR 55 HB THR 55 -17.881 -7.401 -10.566 335 HG1 THR 55 HG1 THR 55 -18.495 -5.380 -10.682 336 1HG2 THR 55 1HG2 THR 55 -15.630 -6.120 -9.084 337 2HG2 THR 55 2HG2 THR 55 -15.327 -7.696 -9.819 338 3HG2 THR 55 3HG2 THR 55 -16.625 -7.506 -8.641 339 H ASP 56 H ASP 56 -17.279 -9.014 -12.647 340 HA ASP 56 HA ASP 56 -18.537 -7.990 -15.132 341 1HB ASP 56 2HB ASP 56 -18.011 -10.714 -13.916 342 2HB ASP 56 1HB ASP 56 -18.909 -10.502 -15.420 343 H ALA 57 H ALA 57 -20.708 -9.721 -15.344 344 HA ALA 57 HA ALA 57 -22.708 -8.420 -13.748 345 1HB ALA 57 1HB ALA 57 -23.130 -9.374 -15.958 346 2HB ALA 57 2HB ALA 57 -24.167 -10.176 -14.779 347 3HB ALA 57 3HB ALA 57 -22.713 -10.982 -15.369 348 H SER 58 H SER 58 -20.784 -11.295 -13.266 349 HA SER 58 HA SER 58 -22.480 -12.214 -11.013 350 1HB SER 58 2HB SER 58 -20.568 -13.311 -12.877 351 2HB SER 58 1HB SER 58 -20.071 -13.689 -11.231 352 HG SER 58 HG SER 58 -21.560 -15.218 -12.159 353 H GLY 59 H GLY 59 -20.463 -9.743 -11.268 354 1HA GLY 59 2HA GLY 59 -19.068 -8.594 -9.779 355 2HA GLY 59 1HA GLY 59 -19.833 -9.546 -8.510 356 H ALA 60 H ALA 60 -17.534 -10.129 -11.185 357 HA ALA 60 HA ALA 60 -15.542 -11.177 -9.284 358 1HB ALA 60 1HB ALA 60 -17.318 -12.962 -9.753 359 2HB ALA 60 2HB ALA 60 -15.647 -13.439 -10.055 360 3HB ALA 60 3HB ALA 60 -16.697 -12.999 -11.403 361 H ALA 61 H ALA 61 -13.553 -10.645 -10.115 362 HA ALA 61 HA ALA 61 -13.312 -10.318 -13.085 363 1HB ALA 61 1HB ALA 61 -13.365 -8.243 -11.588 364 2HB ALA 61 2HB ALA 61 -11.974 -8.379 -12.664 365 3HB ALA 61 3HB ALA 61 -11.811 -8.785 -10.954 366 H SER 62 H SER 62 -11.073 -10.613 -13.878 367 HA SER 62 HA SER 62 -9.081 -11.943 -12.198 368 1HB SER 62 2HB SER 62 -9.541 -13.872 -14.189 369 2HB SER 62 1HB SER 62 -9.941 -14.022 -12.481 370 HG SER 62 HG SER 62 -11.793 -14.323 -13.723 371 H PHE 63 H PHE 63 -7.146 -11.282 -13.092 372 HA PHE 63 HA PHE 63 -6.821 -11.267 -16.020 373 1HB PHE 63 2HB PHE 63 -6.295 -8.827 -16.027 374 2HB PHE 63 1HB PHE 63 -7.964 -9.149 -15.556 375 HD1 PHE 63 HD1 PHE 63 -8.523 -9.270 -13.056 376 HD2 PHE 63 HD2 PHE 63 -4.830 -7.682 -14.569 377 HE1 PHE 63 HE1 PHE 63 -8.133 -8.112 -10.897 378 HE2 PHE 63 HE2 PHE 63 -4.439 -6.523 -12.409 379 HZ PHE 63 HZ PHE 63 -6.097 -6.741 -10.571 380 H SER 64 H SER 64 -4.528 -10.251 -16.499 381 HA SER 64 HA SER 64 -2.632 -11.466 -14.539 382 1HB SER 64 2HB SER 64 -1.153 -10.959 -16.709 383 2HB SER 64 1HB SER 64 -2.201 -12.372 -16.619 384 HG SER 64 HG SER 64 -2.447 -10.033 -18.092 385 H PHE 65 H PHE 65 -1.266 -10.186 -13.396 386 HA PHE 65 HA PHE 65 -0.993 -7.313 -14.156 387 1HB PHE 65 2HB PHE 65 -2.406 -7.549 -12.219 388 2HB PHE 65 1HB PHE 65 -1.297 -8.708 -11.488 389 HD1 PHE 65 HD1 PHE 65 -1.177 -5.246 -12.933 390 HD2 PHE 65 HD2 PHE 65 0.086 -7.908 -9.813 391 HE1 PHE 65 HE1 PHE 65 0.041 -3.385 -11.843 392 HE2 PHE 65 HE2 PHE 65 1.306 -6.051 -8.722 393 HZ PHE 65 HZ PHE 65 1.288 -3.787 -9.733 394 H VAL 66 H VAL 66 1.157 -6.419 -13.777 395 HA VAL 66 HA VAL 66 3.263 -8.530 -13.438 396 HB VAL 66 HB VAL 66 3.453 -5.807 -14.736 397 1HG1 VAL 66 1HG1 VAL 66 5.314 -7.351 -15.930 398 2HG1 VAL 66 2HG1 VAL 66 5.267 -8.129 -14.348 399 3HG1 VAL 66 3HG1 VAL 66 5.648 -6.411 -14.474 400 1HG2 VAL 66 1HG2 VAL 66 3.118 -6.923 -16.862 401 2HG2 VAL 66 2HG2 VAL 66 1.757 -7.330 -15.817 402 3HG2 VAL 66 3HG2 VAL 66 3.054 -8.498 -16.073 403 H VAL 67 H VAL 67 5.289 -7.764 -12.387 404 HA VAL 67 HA VAL 67 4.801 -5.597 -10.363 405 HB VAL 67 HB VAL 67 5.926 -7.062 -8.728 406 1HG1 VAL 67 1HG1 VAL 67 3.419 -7.184 -9.254 407 2HG1 VAL 67 2HG1 VAL 67 4.118 -8.555 -8.393 408 3HG1 VAL 67 3HG1 VAL 67 3.792 -8.671 -10.121 409 1HG2 VAL 67 1HG2 VAL 67 6.056 -9.565 -9.672 410 2HG2 VAL 67 2HG2 VAL 67 7.417 -8.452 -9.825 411 3HG2 VAL 67 3HG2 VAL 67 6.333 -8.710 -11.190 412 H ARG 68 H ARG 68 7.013 -4.961 -9.319 413 HA ARG 68 HA ARG 68 9.291 -5.244 -11.215 414 1HB ARG 68 2HB ARG 68 7.540 -2.979 -10.950 415 2HB ARG 68 1HB ARG 68 9.159 -2.523 -10.414 416 1HG ARG 68 2HG ARG 68 10.131 -3.027 -12.484 417 2HG ARG 68 1HG ARG 68 8.803 -4.087 -12.957 418 1HD ARG 68 2HD ARG 68 8.512 -2.078 -14.240 419 2HD ARG 68 1HD ARG 68 7.328 -1.966 -12.921 420 HE ARG 68 HE ARG 68 8.975 -0.540 -11.702 421 1HH1 ARG 68 1HH2 ARG 68 10.628 -1.596 -14.373 422 2HH1 ARG 68 2HH2 ARG 68 11.108 -0.031 -14.940 423 1HH2 ARG 68 1HH1 ARG 68 9.075 1.687 -12.717 424 2HH2 ARG 68 2HH1 ARG 68 10.229 1.828 -14.000 425 H LYS 69 H LYS 69 10.803 -6.072 -9.845 426 HA LYS 69 HA LYS 69 10.969 -5.866 -7.056 427 1HB LYS 69 2HB LYS 69 12.211 -7.334 -8.744 428 2HB LYS 69 1HB LYS 69 13.331 -5.984 -8.930 429 1HG LYS 69 2HG LYS 69 12.707 -6.769 -6.139 430 2HG LYS 69 1HG LYS 69 13.657 -7.927 -7.071 431 1HD LYS 69 2HD LYS 69 14.558 -5.175 -7.469 432 2HD LYS 69 1HD LYS 69 14.656 -5.679 -5.781 433 1HE LYS 69 2HE LYS 69 16.243 -7.306 -6.214 434 2HE LYS 69 1HE LYS 69 15.630 -7.605 -7.854 435 1HZ LYS 69 1HZ LYS 69 16.678 -4.944 -7.232 436 2HZ LYS 69 2HZ LYS 69 16.701 -5.799 -8.700 437 3HZ LYS 69 3HZ LYS 69 17.798 -6.195 -7.465 438 H SER 70 H SER 70 12.145 -3.551 -9.490 439 HA SER 70 HA SER 70 12.839 -1.692 -7.230 440 1HB SER 70 2HB SER 70 14.462 -2.415 -9.682 441 2HB SER 70 1HB SER 70 14.833 -1.035 -8.656 442 HG SER 70 HG SER 70 15.472 -2.351 -7.104 443 H TYR 71 H TYR 71 12.424 0.523 -7.703 444 HA TYR 71 HA TYR 71 11.839 1.538 -10.335 445 1HB TYR 71 2HB TYR 71 9.471 1.405 -10.369 446 2HB TYR 71 1HB TYR 71 9.951 -0.164 -9.723 447 HD1 TYR 71 HD1 TYR 71 9.327 -0.832 -7.510 448 HD2 TYR 71 HD2 TYR 71 8.805 3.245 -8.763 449 HE1 TYR 71 HE1 TYR 71 8.050 -0.354 -5.433 450 HE2 TYR 71 HE2 TYR 71 7.529 3.722 -6.691 451 HH TYR 71 HH TYR 71 6.353 1.288 -4.635 452 H THR 72 H THR 72 11.154 3.818 -10.225 453 HA THR 72 HA THR 72 11.895 5.092 -7.659 454 HB THR 72 HB THR 72 11.017 6.739 -9.935 455 HG1 THR 72 HG1 THR 72 13.376 5.260 -10.286 456 1HG2 THR 72 1HG2 THR 72 12.687 6.986 -7.749 457 2HG2 THR 72 2HG2 THR 72 12.624 8.102 -9.113 458 3HG2 THR 72 3HG2 THR 72 13.820 6.806 -9.087 459 H GLY 73 H GLY 73 10.292 5.654 -6.213 460 1HA GLY 73 2HA GLY 73 7.481 5.662 -7.164 461 2HA GLY 73 1HA GLY 73 7.993 5.619 -5.481 462 H SER 74 H SER 74 6.047 7.387 -6.112 463 HA SER 74 HA SER 74 7.246 9.961 -5.422 464 1HB SER 74 2HB SER 74 5.997 9.469 -8.146 465 2HB SER 74 1HB SER 74 6.391 11.066 -7.517 466 HG SER 74 HG SER 74 8.226 10.590 -8.494 467 H THR 75 H THR 75 5.163 8.013 -4.518 468 HA THR 75 HA THR 75 2.978 7.985 -3.627 469 HB THR 75 HB THR 75 2.283 10.163 -2.697 470 HG1 THR 75 HG1 THR 75 4.115 11.798 -3.265 471 1HG2 THR 75 1HG2 THR 75 4.767 10.717 -1.796 472 2HG2 THR 75 2HG2 THR 75 5.044 9.112 -2.473 473 3HG2 THR 75 3HG2 THR 75 3.820 9.343 -1.226 474 HA PRO 76 HA PRO 76 0.147 8.293 -6.967 475 1HB PRO 76 2HB PRO 76 -2.204 8.333 -5.542 476 2HB PRO 76 1HB PRO 76 -1.234 6.867 -5.805 477 1HG PRO 76 2HG PRO 76 -1.314 8.677 -3.429 478 2HG PRO 76 1HG PRO 76 -1.306 6.904 -3.497 479 1HD PRO 76 2HD PRO 76 0.932 8.281 -2.952 480 2HD PRO 76 1HD PRO 76 0.977 6.794 -3.923 481 H GLU 77 H GLU 77 0.638 10.762 -4.662 482 HA GLU 77 HA GLU 77 -1.437 12.579 -5.698 483 1HB GLU 77 2HB GLU 77 0.766 12.703 -3.628 484 2HB GLU 77 1HB GLU 77 -0.205 14.119 -4.039 485 1HG GLU 77 2HG GLU 77 -2.162 13.205 -3.173 486 2HG GLU 77 1HG GLU 77 -1.600 11.546 -3.390 487 H GLY 78 H GLY 78 1.400 14.308 -5.055 488 1HA GLY 78 2HA GLY 78 2.549 14.131 -7.741 489 2HA GLY 78 1HA GLY 78 1.678 15.633 -7.426 490 H THR 79 H THR 79 4.365 13.625 -6.303 491 HA THR 79 HA THR 79 6.039 15.913 -5.772 492 HB THR 79 HB THR 79 4.301 16.014 -3.936 493 HG1 THR 79 HG1 THR 79 6.588 16.701 -3.776 494 1HG2 THR 79 1HG2 THR 79 5.649 13.425 -3.129 495 2HG2 THR 79 2HG2 THR 79 3.970 13.615 -3.632 496 3HG2 THR 79 3HG2 THR 79 4.523 14.332 -2.119 497 HA PRO 80 HA PRO 80 8.763 12.450 -6.122 498 1HB PRO 80 2HB PRO 80 11.109 13.809 -5.735 499 2HB PRO 80 1HB PRO 80 10.193 13.869 -7.255 500 1HG PRO 80 2HG PRO 80 10.321 15.856 -5.045 501 2HG PRO 80 1HG PRO 80 10.220 16.116 -6.794 502 1HD PRO 80 2HD PRO 80 8.084 16.346 -5.088 503 2HD PRO 80 1HD PRO 80 7.940 15.956 -6.815 504 H VAL 81 H VAL 81 8.831 11.043 -4.425 505 HA VAL 81 HA VAL 81 9.463 12.018 -1.700 506 HB VAL 81 HB VAL 81 8.517 9.373 -2.805 507 1HG1 VAL 81 1HG1 VAL 81 9.604 10.043 -0.258 508 2HG1 VAL 81 2HG1 VAL 81 8.853 8.524 -0.745 509 3HG1 VAL 81 3HG1 VAL 81 7.869 9.809 -0.044 510 1HG2 VAL 81 1HG2 VAL 81 6.621 10.754 -1.144 511 2HG2 VAL 81 2HG2 VAL 81 6.461 10.286 -2.837 512 3HG2 VAL 81 3HG2 VAL 81 7.170 11.845 -2.417 513 H GLY 82 H GLY 82 10.553 9.575 -4.037 514 1HA GLY 82 2HA GLY 82 13.275 9.812 -3.792 515 2HA GLY 82 1HA GLY 82 12.848 8.828 -2.390 516 H SER 83 H SER 83 14.330 7.346 -3.795 517 HA SER 83 HA SER 83 12.862 6.010 -5.997 518 1HB SER 83 2HB SER 83 15.581 5.357 -4.867 519 2HB SER 83 1HB SER 83 14.989 5.064 -6.500 520 HG SER 83 HG SER 83 16.248 7.205 -5.538 521 H VAL 84 H VAL 84 12.800 3.567 -5.939 522 HA VAL 84 HA VAL 84 12.590 2.504 -3.147 523 HB VAL 84 HB VAL 84 10.651 2.420 -5.460 524 1HG1 VAL 84 1HG1 VAL 84 10.752 0.627 -3.017 525 2HG1 VAL 84 2HG1 VAL 84 10.840 0.121 -4.705 526 3HG1 VAL 84 3HG1 VAL 84 9.342 0.792 -4.063 527 1HG2 VAL 84 1HG2 VAL 84 10.078 2.915 -2.544 528 2HG2 VAL 84 2HG2 VAL 84 9.157 3.439 -3.953 529 3HG2 VAL 84 3HG2 VAL 84 10.696 4.208 -3.571 530 H ASP 85 H ASP 85 13.007 0.230 -2.983 531 HA ASP 85 HA ASP 85 13.730 -1.308 -5.385 532 1HB ASP 85 2HB ASP 85 15.730 -0.193 -3.422 533 2HB ASP 85 1HB ASP 85 16.096 -1.612 -4.401 534 H CYS 86 H CYS 86 12.281 -2.895 -4.601 535 HA CYS 86 HA CYS 86 12.134 -3.906 -1.949 536 1HB CYS 86 2HB CYS 86 10.868 -4.225 -4.392 537 2HB CYS 86 1HB CYS 86 11.569 -5.814 -4.084 538 H ALA 87 H ALA 87 14.700 -4.223 -4.146 539 HA ALA 87 HA ALA 87 15.622 -6.836 -4.062 540 1HB ALA 87 1HB ALA 87 16.720 -4.806 -5.073 541 2HB ALA 87 2HB ALA 87 17.845 -5.842 -4.194 542 3HB ALA 87 3HB ALA 87 17.258 -4.353 -3.456 543 H THR 88 H THR 88 15.756 -4.423 -1.495 544 HA THR 88 HA THR 88 16.261 -6.612 0.479 545 HB THR 88 HB THR 88 18.366 -5.529 0.112 546 HG1 THR 88 HG1 THR 88 18.702 -4.588 2.108 547 1HG2 THR 88 1HG2 THR 88 18.572 -3.050 0.181 548 2HG2 THR 88 2HG2 THR 88 16.817 -2.933 0.310 549 3HG2 THR 88 3HG2 THR 88 17.551 -3.604 -1.147 550 H ALA 89 H ALA 89 14.245 -4.151 -0.544 551 HA ALA 89 HA ALA 89 13.398 -3.357 2.195 552 1HB ALA 89 1HB ALA 89 13.362 -1.378 1.093 553 2HB ALA 89 2HB ALA 89 11.917 -1.975 0.278 554 3HB ALA 89 3HB ALA 89 13.500 -2.180 -0.471 555 H ALA 90 H ALA 90 10.867 -3.026 2.239 556 HA ALA 90 HA ALA 90 9.640 -5.588 1.291 557 1HB ALA 90 1HB ALA 90 9.872 -4.597 3.782 558 2HB ALA 90 2HB ALA 90 8.489 -5.574 3.290 559 3HB ALA 90 3HB ALA 90 8.361 -3.815 3.319 560 H CYS 91 H CYS 91 7.750 -5.501 0.038 561 HA CYS 91 HA CYS 91 6.539 -2.814 -0.479 562 1HB CYS 91 2HB CYS 91 7.158 -4.795 -2.680 563 2HB CYS 91 1HB CYS 91 6.794 -3.078 -2.832 564 H ASN 92 H ASN 92 4.302 -2.923 -0.925 565 HA ASN 92 HA ASN 92 3.098 -5.666 -1.023 566 1HB ASN 92 2HB ASN 92 2.494 -3.327 0.789 567 2HB ASN 92 1HB ASN 92 1.322 -4.617 0.522 568 1HD2 ASN 92 1HD2 ASN 92 1.832 -4.828 3.017 569 2HD2 ASN 92 2HD2 ASN 92 3.096 -5.886 3.425 570 H LEU 93 H LEU 93 0.997 -5.704 -2.012 571 HA LEU 93 HA LEU 93 0.514 -3.438 -3.888 572 1HB LEU 93 2HB LEU 93 0.971 -5.488 -5.021 573 2HB LEU 93 1HB LEU 93 -0.030 -6.413 -3.902 574 HG LEU 93 HG LEU 93 -2.040 -5.244 -4.744 575 1HD1 LEU 93 1HD1 LEU 93 -0.518 -4.153 -7.055 576 2HD1 LEU 93 2HD1 LEU 93 -0.367 -3.290 -5.527 577 3HD1 LEU 93 3HD1 LEU 93 -1.955 -3.519 -6.255 578 1HD2 LEU 93 1HD2 LEU 93 -2.086 -7.050 -6.105 579 2HD2 LEU 93 2HD2 LEU 93 -0.328 -7.046 -6.258 580 3HD2 LEU 93 3HD2 LEU 93 -1.309 -6.055 -7.338 581 H GLY 94 H GLY 94 -1.472 -2.375 -3.786 582 1HA GLY 94 2HA GLY 94 -3.548 -3.570 -1.989 583 2HA GLY 94 1HA GLY 94 -3.135 -1.859 -1.888 584 H ALA 95 H ALA 95 -5.719 -3.161 -2.589 585 HA ALA 95 HA ALA 95 -6.046 -2.066 -5.370 586 1HB ALA 95 1HB ALA 95 -8.035 -3.660 -5.357 587 2HB ALA 95 2HB ALA 95 -7.433 -4.267 -3.813 588 3HB ALA 95 3HB ALA 95 -6.456 -4.440 -5.272 589 H GLY 96 H GLY 96 -8.139 -0.952 -5.745 590 1HA GLY 96 2HA GLY 96 -10.149 -0.352 -3.953 591 2HA GLY 96 1HA GLY 96 -8.860 0.763 -3.498 592 H ASN 97 H ASN 97 -11.565 1.133 -4.876 593 HA ASN 97 HA ASN 97 -10.657 2.367 -7.423 594 1HB ASN 97 2HB ASN 97 -12.969 2.216 -8.045 595 2HB ASN 97 1HB ASN 97 -12.573 0.703 -7.226 596 1HD2 ASN 97 1HD2 ASN 97 -14.893 3.113 -7.302 597 2HD2 ASN 97 2HD2 ASN 97 -15.516 2.935 -5.734 598 H SER 98 H SER 98 -12.212 3.113 -4.339 599 HA SER 98 HA SER 98 -11.384 5.889 -4.447 600 1HB SER 98 2HB SER 98 -13.251 5.744 -6.136 601 2HB SER 98 1HB SER 98 -14.333 5.287 -4.825 602 HG SER 98 HG SER 98 -12.998 7.721 -5.304 603 H GLY 99 H GLY 99 -13.981 3.782 -3.138 604 1HA GLY 99 2HA GLY 99 -13.046 4.439 -0.406 605 2HA GLY 99 1HA GLY 99 -14.715 4.849 -0.796 606 H LEU 100 H LEU 100 -12.858 1.995 -1.844 607 HA LEU 100 HA LEU 100 -14.855 0.303 -0.370 608 1HB LEU 100 2HB LEU 100 -15.024 0.468 -2.904 609 2HB LEU 100 1HB LEU 100 -13.456 -0.337 -2.977 610 HG LEU 100 HG LEU 100 -15.448 -1.634 -1.219 611 1HD1 LEU 100 1HD1 LEU 100 -16.372 -2.756 -3.408 612 2HD1 LEU 100 2HD1 LEU 100 -15.875 -1.244 -4.168 613 3HD1 LEU 100 3HD1 LEU 100 -17.059 -1.227 -2.860 614 1HD2 LEU 100 1HD2 LEU 100 -14.215 -3.491 -1.741 615 2HD2 LEU 100 2HD2 LEU 100 -13.021 -2.298 -2.250 616 3HD2 LEU 100 3HD2 LEU 100 -14.082 -3.049 -3.442 617 H ASP 101 H ASP 101 -13.995 -1.356 0.868 618 HA ASP 101 HA ASP 101 -11.030 -1.491 1.072 619 1HB ASP 101 2HB ASP 101 -12.255 -1.119 3.116 620 2HB ASP 101 1HB ASP 101 -13.353 -2.455 2.763 621 H LEU 102 H LEU 102 -11.486 -2.681 -1.232 622 HA LEU 102 HA LEU 102 -12.492 -5.306 -1.392 623 1HB LEU 102 2HB LEU 102 -11.022 -3.479 -2.947 624 2HB LEU 102 1HB LEU 102 -10.045 -4.946 -2.909 625 HG LEU 102 HG LEU 102 -12.991 -4.860 -3.610 626 1HD1 LEU 102 1HD1 LEU 102 -11.401 -3.761 -5.262 627 2HD1 LEU 102 2HD1 LEU 102 -12.327 -5.121 -5.900 628 3HD1 LEU 102 3HD1 LEU 102 -10.635 -5.339 -5.449 629 1HD2 LEU 102 1HD2 LEU 102 -11.081 -7.114 -4.177 630 2HD2 LEU 102 2HD2 LEU 102 -12.834 -7.164 -3.992 631 3HD2 LEU 102 3HD2 LEU 102 -11.803 -6.969 -2.574 632 H GLY 103 H GLY 103 -8.965 -4.772 -1.410 633 1HA GLY 103 2HA GLY 103 -8.371 -6.223 0.962 634 2HA GLY 103 1HA GLY 103 -8.364 -7.355 -0.390 635 H HIS 104 H HIS 104 -6.007 -7.153 0.771 636 HA HIS 104 HA HIS 104 -4.371 -5.633 -1.193 637 1HB HIS 104 2HB HIS 104 -2.966 -5.021 0.989 638 2HB HIS 104 1HB HIS 104 -4.331 -4.024 0.494 639 HD1 HIS 104 HD1 HIS 104 -5.423 -3.350 2.656 640 HD2 HIS 104 HD2 HIS 104 -4.508 -7.415 2.601 641 HE1 HIS 104 HE1 HIS 104 -6.407 -4.340 4.772 642 H VAL 105 H VAL 105 -2.712 -6.934 -1.888 643 HA VAL 105 HA VAL 105 -2.027 -9.327 -0.207 644 HB VAL 105 HB VAL 105 -1.882 -8.851 -3.201 645 1HG1 VAL 105 1HG1 VAL 105 -1.796 -11.592 -2.601 646 2HG1 VAL 105 2HG1 VAL 105 -0.688 -10.841 -1.456 647 3HG1 VAL 105 3HG1 VAL 105 -0.462 -10.603 -3.189 648 1HG2 VAL 105 1HG2 VAL 105 -4.190 -9.042 -2.430 649 2HG2 VAL 105 2HG2 VAL 105 -3.786 -10.466 -1.472 650 3HG2 VAL 105 3HG2 VAL 105 -3.734 -10.544 -3.233 651 H ALA 106 H ALA 106 0.024 -9.251 0.646 652 HA ALA 106 HA ALA 106 1.915 -7.182 -0.185 653 1HB ALA 106 1HB ALA 106 3.122 -7.916 1.718 654 2HB ALA 106 2HB ALA 106 2.463 -9.549 1.608 655 3HB ALA 106 3HB ALA 106 1.438 -8.217 2.147 656 H LEU 107 H LEU 107 3.912 -7.532 -1.257 657 HA LEU 107 HA LEU 107 4.193 -10.205 -2.608 658 1HB LEU 107 2HB LEU 107 5.273 -7.588 -3.661 659 2HB LEU 107 1HB LEU 107 4.836 -9.038 -4.562 660 HG LEU 107 HG LEU 107 2.821 -7.313 -3.091 661 1HD1 LEU 107 1HD1 LEU 107 2.577 -7.205 -5.946 662 2HD1 LEU 107 2HD1 LEU 107 4.223 -6.752 -5.500 663 3HD1 LEU 107 3HD1 LEU 107 2.852 -5.877 -4.818 664 1HD2 LEU 107 1HD2 LEU 107 2.157 -9.659 -3.481 665 2HD2 LEU 107 2HD2 LEU 107 2.541 -9.483 -5.194 666 3HD2 LEU 107 3HD2 LEU 107 1.212 -8.563 -4.489 667 H THR 108 H THR 108 6.581 -10.506 -3.362 668 HA THR 108 HA THR 108 8.557 -9.289 -1.509 669 HB THR 108 HB THR 108 8.549 -12.250 -1.779 670 HG1 THR 108 HG1 THR 108 7.095 -12.211 0.105 671 1HG2 THR 108 1HG2 THR 108 9.905 -10.315 -0.270 672 2HG2 THR 108 2HG2 THR 108 9.995 -12.065 -0.072 673 3HG2 THR 108 3HG2 THR 108 8.834 -11.131 0.869 674 H PHE 109 H PHE 109 10.802 -9.814 -2.194 675 HA PHE 109 HA PHE 109 11.000 -10.798 -5.014 676 1HB PHE 109 2HB PHE 109 11.873 -8.201 -3.766 677 2HB PHE 109 1HB PHE 109 12.735 -8.837 -5.168 678 HD1 PHE 109 HD1 PHE 109 9.527 -7.514 -3.933 679 HD2 PHE 109 HD2 PHE 109 11.659 -9.014 -7.344 680 HE1 PHE 109 HE1 PHE 109 7.737 -6.662 -5.424 681 HE2 PHE 109 HE2 PHE 109 9.876 -8.163 -8.836 682 HZ PHE 109 HZ PHE 109 7.910 -6.987 -7.885 683 H GLY 110 H GLY 110 11.836 -12.761 -3.850 684 1HA GLY 110 2HA GLY 110 13.594 -14.092 -3.043 685 2HA GLY 110 1HA GLY 110 14.650 -12.943 -3.864 686 2H2' ROM 111 2H2' ROM 111 -10.391 4.933 -8.663 687 2H3' ROM 111 2H3' ROM 111 -7.257 5.446 -10.540 688 H'1 ROM 111 H'1 ROM 111 -4.244 5.161 -9.500 689 3H18 ROM 111 3H18 ROM 111 -5.998 1.814 0.247 690 2H18 ROM 111 2H18 ROM 111 -4.837 2.290 1.390 691 2H23 ROM 111 2H23 ROM 111 -7.502 7.957 -2.023 692 H1' ROM 111 H1' ROM 111 -7.824 6.840 -7.803 693 H2' ROM 111 H2' ROM 111 -10.436 6.943 -9.308 694 H3' ROM 111 H3' ROM 111 -9.020 6.413 -11.241 695 H4' ROM 111 H4' ROM 111 -9.503 8.751 -10.713 696 1H6B ROM 111 1H6B ROM 111 -9.034 10.899 -9.102 697 3H6B ROM 111 3H6B ROM 111 -7.308 11.016 -8.759 698 2H6B ROM 111 2H6B ROM 111 -7.865 10.817 -10.420 699 1H6A ROM 111 1H6A ROM 111 -6.101 9.247 -8.218 700 3H6A ROM 111 3H6A ROM 111 -6.449 7.605 -8.751 701 2H6A ROM 111 2H6A ROM 111 -5.959 8.824 -9.923 702 1H4B ROM 111 1H4B ROM 111 -8.765 8.298 -13.421 703 3H4B ROM 111 3H4B ROM 111 -9.497 9.566 -12.421 704 2H4B ROM 111 2H4B ROM 111 -8.080 9.934 -13.419 705 1H4A ROM 111 1H4A ROM 111 -6.203 8.162 -13.005 706 3H4A ROM 111 3H4A ROM 111 -6.048 7.612 -11.329 707 2H4A ROM 111 2H4A ROM 111 -7.272 6.891 -12.387 708 H'8 ROM 111 H'8 ROM 111 -0.187 5.227 -7.199 709 H'6 ROM 111 H'6 ROM 111 0.404 7.575 -10.704 710 1H3A ROM 111 1H3A ROM 111 -4.268 6.651 -13.951 711 2H3A ROM 111 2H3A ROM 111 -3.294 8.212 -13.741 712 1H7A ROM 111 1H7A ROM 111 2.760 8.190 -9.090 713 3H7A ROM 111 3H7A ROM 111 1.036 8.547 -9.012 714 2H7A ROM 111 2H7A ROM 111 1.961 8.333 -7.532 715 H3 ROM 111 H3 ROM 111 -4.716 6.369 -6.106 716 H6 ROM 111 H6 ROM 111 -7.856 3.023 -4.273 717 H5 ROM 111 H5 ROM 111 -5.497 2.371 -4.697 718 H12 ROM 111 H12 ROM 111 -5.959 8.715 -5.497 719 H8 ROM 111 H8 ROM 111 -9.699 4.977 -5.274 720 H13 ROM 111 H13 ROM 111 -3.397 2.970 -6.017 721 H10 ROM 111 H10 ROM 111 -10.009 8.452 -4.284 722 H11 ROM 111 H11 ROM 111 -7.886 9.984 -4.361 723 2H14 ROM 111 2H14 ROM 111 -1.720 3.600 -4.393 724 1H14 ROM 111 1H14 ROM 111 -2.623 5.050 -3.938 725 2H17 ROM 111 2H17 ROM 111 -4.519 2.059 -1.449 726 1H17 ROM 111 1H17 ROM 111 -3.245 2.648 -0.383 727 H18 ROM 111 H18 ROM 111 -4.661 4.453 0.408 728 H20 ROM 111 H20 ROM 111 -7.404 2.444 -0.936 729 H24 ROM 111 H24 ROM 111 -5.334 6.165 -1.212 730 4H18 ROM 111 4H18 ROM 111 -6.374 3.013 1.388 Start of MODEL 30 1 1H ALA 1 1H ALA 1 -16.365 -6.254 3.984 2 2H ALA 1 2H ALA 1 -15.161 -6.065 5.166 3 3H ALA 1 3H ALA 1 -15.527 -7.612 4.566 4 HA ALA 1 HA ALA 1 -14.564 -5.493 2.740 5 1HB ALA 1 1HB ALA 1 -12.296 -6.714 3.300 6 2HB ALA 1 2HB ALA 1 -13.118 -7.124 4.805 7 3HB ALA 1 3HB ALA 1 -12.881 -5.434 4.363 8 HA PRO 2 HA PRO 2 -15.262 -8.919 0.049 9 1HB PRO 2 2HB PRO 2 -13.912 -7.964 -2.133 10 2HB PRO 2 1HB PRO 2 -15.508 -7.365 -1.643 11 1HG PRO 2 2HG PRO 2 -12.822 -6.164 -1.198 12 2HG PRO 2 1HG PRO 2 -14.361 -5.378 -1.584 13 1HD PRO 2 2HD PRO 2 -13.291 -5.447 0.932 14 2HD PRO 2 1HD PRO 2 -15.034 -5.328 0.605 15 H ALA 3 H ALA 3 -13.563 -10.024 -1.749 16 HA ALA 3 HA ALA 3 -11.202 -10.808 -0.090 17 1HB ALA 3 1HB ALA 3 -13.274 -12.234 -1.338 18 2HB ALA 3 2HB ALA 3 -11.811 -12.918 -0.628 19 3HB ALA 3 3HB ALA 3 -11.857 -12.522 -2.346 20 H PHE 4 H PHE 4 -9.172 -11.150 -1.202 21 HA PHE 4 HA PHE 4 -8.836 -10.319 -3.999 22 1HB PHE 4 2HB PHE 4 -9.080 -8.164 -2.841 23 2HB PHE 4 1HB PHE 4 -7.854 -8.635 -1.663 24 HD1 PHE 4 HD1 PHE 4 -5.714 -7.780 -2.004 25 HD2 PHE 4 HD2 PHE 4 -8.239 -8.532 -5.397 26 HE1 PHE 4 HE1 PHE 4 -3.946 -6.918 -3.515 27 HE2 PHE 4 HE2 PHE 4 -6.472 -7.671 -6.907 28 HZ PHE 4 HZ PHE 4 -4.325 -6.865 -5.964 29 H SER 5 H SER 5 -7.373 -11.946 -4.585 30 HA SER 5 HA SER 5 -4.944 -12.254 -2.864 31 1HB SER 5 2HB SER 5 -5.665 -14.826 -3.777 32 2HB SER 5 1HB SER 5 -5.736 -14.228 -2.123 33 HG SER 5 HG SER 5 -7.739 -14.750 -3.871 34 H VAL 6 H VAL 6 -3.162 -13.296 -3.973 35 HA VAL 6 HA VAL 6 -3.308 -13.112 -6.968 36 HB VAL 6 HB VAL 6 -2.024 -11.313 -5.817 37 1HG1 VAL 6 1HG1 VAL 6 -1.432 -12.653 -3.810 38 2HG1 VAL 6 2HG1 VAL 6 -0.010 -11.910 -4.540 39 3HG1 VAL 6 3HG1 VAL 6 -0.342 -13.621 -4.796 40 1HG2 VAL 6 1HG2 VAL 6 -0.221 -13.325 -7.198 41 2HG2 VAL 6 2HG2 VAL 6 0.054 -11.588 -7.072 42 3HG2 VAL 6 3HG2 VAL 6 -1.287 -12.200 -8.037 43 H SER 7 H SER 7 -1.974 -14.760 -8.097 44 HA SER 7 HA SER 7 -2.018 -17.334 -6.909 45 1HB SER 7 2HB SER 7 -0.611 -16.060 -9.237 46 2HB SER 7 1HB SER 7 -0.258 -17.735 -8.820 47 HG SER 7 HG SER 7 -2.325 -16.768 -10.161 48 HA PRO 8 HA PRO 8 2.399 -17.238 -5.449 49 1HB PRO 8 2HB PRO 8 4.355 -15.770 -6.643 50 2HB PRO 8 1HB PRO 8 3.834 -17.348 -7.265 51 1HG PRO 8 2HG PRO 8 3.217 -14.638 -8.241 52 2HG PRO 8 1HG PRO 8 3.419 -16.135 -9.147 53 1HD PRO 8 2HD PRO 8 0.979 -14.962 -8.523 54 2HD PRO 8 1HD PRO 8 1.229 -16.660 -8.977 55 H ALA 9 H ALA 9 4.012 -15.706 -4.191 56 HA ALA 9 HA ALA 9 3.321 -12.874 -4.010 57 1HB ALA 9 1HB ALA 9 2.343 -14.839 -1.919 58 2HB ALA 9 2HB ALA 9 1.339 -13.864 -2.992 59 3HB ALA 9 3HB ALA 9 2.300 -13.086 -1.736 60 H SER 10 H SER 10 5.646 -14.857 -4.055 61 HA SER 10 HA SER 10 7.337 -13.452 -2.134 62 1HB SER 10 2HB SER 10 7.933 -15.711 -1.062 63 2HB SER 10 1HB SER 10 6.375 -15.021 -0.624 64 HG SER 10 HG SER 10 6.371 -17.294 -1.271 65 H GLY 11 H GLY 11 9.626 -14.005 -2.508 66 1HA GLY 11 2HA GLY 11 11.392 -14.393 -4.019 67 2HA GLY 11 1HA GLY 11 10.640 -15.980 -4.200 68 H LEU 12 H LEU 12 9.376 -12.780 -5.115 69 HA LEU 12 HA LEU 12 8.547 -13.775 -7.729 70 1HB LEU 12 2HB LEU 12 8.603 -10.993 -6.535 71 2HB LEU 12 1HB LEU 12 7.656 -11.504 -7.932 72 HG LEU 12 HG LEU 12 7.397 -12.719 -5.174 73 1HD1 LEU 12 1HD1 LEU 12 5.919 -11.107 -4.629 74 2HD1 LEU 12 2HD1 LEU 12 5.137 -11.195 -6.206 75 3HD1 LEU 12 3HD1 LEU 12 6.571 -10.193 -5.988 76 1HD2 LEU 12 1HD2 LEU 12 6.226 -13.221 -7.855 77 2HD2 LEU 12 2HD2 LEU 12 5.093 -13.239 -6.504 78 3HD2 LEU 12 3HD2 LEU 12 6.476 -14.333 -6.509 79 H SER 13 H SER 13 9.054 -11.498 -9.307 80 HA SER 13 HA SER 13 11.907 -10.869 -9.346 81 1HB SER 13 2HB SER 13 10.686 -12.856 -11.279 82 2HB SER 13 1HB SER 13 12.265 -12.111 -11.513 83 HG SER 13 HG SER 13 12.822 -12.985 -9.427 84 H ASP 14 H ASP 14 12.384 -9.317 -11.067 85 HA ASP 14 HA ASP 14 10.235 -7.540 -11.717 86 1HB ASP 14 2HB ASP 14 12.600 -6.897 -11.537 87 2HB ASP 14 1HB ASP 14 12.993 -7.913 -12.923 88 H GLY 15 H GLY 15 8.883 -7.472 -13.496 89 1HA GLY 15 2HA GLY 15 8.190 -7.921 -15.738 90 2HA GLY 15 1HA GLY 15 9.544 -9.041 -15.900 91 H GLN 16 H GLN 16 8.843 -10.371 -13.325 92 HA GLN 16 HA GLN 16 7.350 -12.558 -14.251 93 1HB GLN 16 2HB GLN 16 8.741 -12.274 -12.134 94 2HB GLN 16 1HB GLN 16 7.341 -11.473 -11.422 95 1HG GLN 16 2HG GLN 16 5.982 -13.452 -11.687 96 2HG GLN 16 1HG GLN 16 7.239 -14.248 -12.632 97 1HE2 GLN 16 1HE2 GLN 16 6.685 -15.827 -10.625 98 2HE2 GLN 16 2HE2 GLN 16 7.730 -15.652 -9.302 99 H SER 17 H SER 17 5.174 -12.895 -14.566 100 HA SER 17 HA SER 17 3.308 -10.702 -13.733 101 1HB SER 17 2HB SER 17 3.755 -11.191 -16.183 102 2HB SER 17 1HB SER 17 2.991 -12.758 -15.935 103 HG SER 17 HG SER 17 1.096 -11.726 -15.418 104 H VAL 18 H VAL 18 1.767 -11.265 -12.257 105 HA VAL 18 HA VAL 18 1.325 -14.181 -11.732 106 HB VAL 18 HB VAL 18 0.608 -13.299 -9.486 107 1HG1 VAL 18 1HG1 VAL 18 3.351 -12.312 -10.305 108 2HG1 VAL 18 2HG1 VAL 18 2.971 -14.020 -10.072 109 3HG1 VAL 18 3HG1 VAL 18 2.846 -12.894 -8.719 110 1HG2 VAL 18 1HG2 VAL 18 1.905 -10.696 -9.974 111 2HG2 VAL 18 2HG2 VAL 18 0.435 -11.066 -9.072 112 3HG2 VAL 18 3HG2 VAL 18 0.373 -10.899 -10.827 113 H SER 19 H SER 19 -0.867 -14.902 -11.470 114 HA SER 19 HA SER 19 -2.854 -13.287 -12.959 115 1HB SER 19 2HB SER 19 -2.921 -15.519 -13.600 116 2HB SER 19 1HB SER 19 -2.506 -16.100 -11.991 117 HG SER 19 HG SER 19 -4.987 -15.104 -12.942 118 H VAL 20 H VAL 20 -3.615 -11.656 -11.567 119 HA VAL 20 HA VAL 20 -4.249 -12.265 -8.762 120 HB VAL 20 HB VAL 20 -4.515 -9.850 -10.566 121 1HG1 VAL 20 1HG1 VAL 20 -5.136 -8.591 -8.552 122 2HG1 VAL 20 2HG1 VAL 20 -5.094 -10.073 -7.597 123 3HG1 VAL 20 3HG1 VAL 20 -6.311 -9.869 -8.855 124 1HG2 VAL 20 1HG2 VAL 20 -2.863 -9.904 -8.091 125 2HG2 VAL 20 2HG2 VAL 20 -2.529 -9.150 -9.650 126 3HG2 VAL 20 3HG2 VAL 20 -2.289 -10.884 -9.440 127 H SER 21 H SER 21 -6.441 -11.804 -7.909 128 HA SER 21 HA SER 21 -8.699 -11.826 -9.791 129 1HB SER 21 2HB SER 21 -9.416 -14.035 -9.322 130 2HB SER 21 1HB SER 21 -7.675 -14.196 -9.533 131 HG SER 21 HG SER 21 -8.700 -15.174 -7.585 132 H VAL 22 H VAL 22 -10.222 -10.564 -8.810 133 HA VAL 22 HA VAL 22 -10.216 -10.380 -5.837 134 HB VAL 22 HB VAL 22 -11.415 -8.495 -7.872 135 1HG1 VAL 22 1HG1 VAL 22 -10.586 -8.272 -4.971 136 2HG1 VAL 22 2HG1 VAL 22 -12.192 -8.032 -5.658 137 3HG1 VAL 22 3HG1 VAL 22 -10.913 -6.859 -5.975 138 1HG2 VAL 22 1HG2 VAL 22 -8.600 -9.019 -7.202 139 2HG2 VAL 22 2HG2 VAL 22 -9.064 -7.327 -7.023 140 3HG2 VAL 22 3HG2 VAL 22 -9.285 -8.142 -8.570 141 H SER 23 H SER 23 -12.320 -10.368 -4.785 142 HA SER 23 HA SER 23 -14.670 -11.129 -6.446 143 1HB SER 23 2HB SER 23 -14.938 -13.232 -5.363 144 2HB SER 23 1HB SER 23 -13.223 -13.148 -5.748 145 HG SER 23 HG SER 23 -13.507 -13.775 -3.598 146 H GLY 24 H GLY 24 -16.654 -11.335 -4.923 147 1HA GLY 24 2HA GLY 24 -17.931 -10.573 -3.077 148 2HA GLY 24 1HA GLY 24 -16.442 -9.998 -2.329 149 H ALA 25 H ALA 25 -16.150 -8.714 -5.272 150 HA ALA 25 HA ALA 25 -16.951 -6.055 -4.419 151 1HB ALA 25 1HB ALA 25 -16.264 -6.989 -7.212 152 2HB ALA 25 2HB ALA 25 -15.036 -6.802 -5.962 153 3HB ALA 25 3HB ALA 25 -15.970 -5.405 -6.498 154 H ALA 26 H ALA 26 -17.906 -5.413 -7.246 155 HA ALA 26 HA ALA 26 -20.451 -6.804 -7.558 156 1HB ALA 26 1HB ALA 26 -20.434 -5.083 -5.515 157 2HB ALA 26 2HB ALA 26 -21.856 -5.274 -6.542 158 3HB ALA 26 3HB ALA 26 -20.748 -3.929 -6.811 159 H ALA 27 H ALA 27 -21.029 -6.625 -9.660 160 HA ALA 27 HA ALA 27 -19.563 -5.296 -11.642 161 1HB ALA 27 1HB ALA 27 -21.531 -7.085 -11.607 162 2HB ALA 27 2HB ALA 27 -21.243 -6.098 -13.039 163 3HB ALA 27 3HB ALA 27 -22.526 -5.659 -11.909 164 H GLY 28 H GLY 28 -19.507 -3.179 -12.329 165 1HA GLY 28 2HA GLY 28 -20.831 -1.136 -12.883 166 2HA GLY 28 1HA GLY 28 -21.650 -1.362 -11.341 167 H GLU 29 H GLU 29 -18.293 -2.061 -11.234 168 HA GLU 29 HA GLU 29 -17.604 0.725 -10.437 169 1HB GLU 29 2HB GLU 29 -17.873 -1.678 -8.680 170 2HB GLU 29 1HB GLU 29 -16.598 -0.516 -8.312 171 1HG GLU 29 2HG GLU 29 -18.475 1.274 -8.570 172 2HG GLU 29 1HG GLU 29 -19.578 -0.085 -8.360 173 H THR 30 H THR 30 -15.370 1.147 -10.517 174 HA THR 30 HA THR 30 -13.660 -1.057 -11.622 175 HB THR 30 HB THR 30 -13.255 1.882 -12.127 176 HG1 THR 30 HG1 THR 30 -15.264 1.736 -12.854 177 1HG2 THR 30 1HG2 THR 30 -11.480 0.498 -12.911 178 2HG2 THR 30 2HG2 THR 30 -12.451 0.879 -14.334 179 3HG2 THR 30 3HG2 THR 30 -12.605 -0.697 -13.558 180 H TYR 31 H TYR 31 -11.743 -1.415 -10.511 181 HA TYR 31 HA TYR 31 -11.042 0.526 -8.351 182 1HB TYR 31 2HB TYR 31 -10.435 -2.431 -8.532 183 2HB TYR 31 1HB TYR 31 -10.254 -1.397 -7.114 184 HD1 TYR 31 HD1 TYR 31 -12.321 -3.790 -8.551 185 HD2 TYR 31 HD2 TYR 31 -12.524 0.031 -6.601 186 HE1 TYR 31 HE1 TYR 31 -14.677 -4.240 -7.915 187 HE2 TYR 31 HE2 TYR 31 -14.879 -0.418 -5.966 188 HH TYR 31 HH TYR 31 -16.290 -3.506 -6.210 189 H TYR 32 H TYR 32 -8.836 1.092 -8.092 190 HA TYR 32 HA TYR 32 -7.168 0.714 -10.511 191 1HB TYR 32 2HB TYR 32 -6.791 2.321 -7.953 192 2HB TYR 32 1HB TYR 32 -5.798 2.463 -9.401 193 HD1 TYR 32 HD1 TYR 32 -9.208 2.981 -8.018 194 HD2 TYR 32 HD2 TYR 32 -6.546 3.708 -11.313 195 HE1 TYR 32 HE1 TYR 32 -10.812 4.631 -8.953 196 HE2 TYR 32 HE2 TYR 32 -8.150 5.355 -12.245 197 HH TYR 32 HH TYR 32 -10.346 6.051 -12.127 198 H ILE 33 H ILE 33 -5.461 -0.738 -10.540 199 HA ILE 33 HA ILE 33 -4.626 -1.945 -7.920 200 HB ILE 33 HB ILE 33 -5.827 -3.500 -9.331 201 1HG1 ILE 33 2HG1 ILE 33 -3.531 -4.122 -8.214 202 2HG1 ILE 33 1HG1 ILE 33 -4.265 -5.253 -9.346 203 1HG2 ILE 33 1HG2 ILE 33 -4.237 -2.172 -11.447 204 2HG2 ILE 33 2HG2 ILE 33 -5.855 -2.866 -11.521 205 3HG2 ILE 33 3HG2 ILE 33 -4.442 -3.912 -11.645 206 1HD1 ILE 33 1HD1 ILE 33 -2.557 -5.035 -10.817 207 2HD1 ILE 33 2HD1 ILE 33 -1.680 -4.234 -9.515 208 3HD1 ILE 33 3HD1 ILE 33 -2.573 -3.277 -10.694 209 H ALA 34 H ALA 34 -2.468 -1.683 -7.398 210 HA ALA 34 HA ALA 34 -0.405 -1.522 -9.484 211 1HB ALA 34 1HB ALA 34 0.238 0.832 -8.655 212 2HB ALA 34 2HB ALA 34 -1.366 0.883 -7.923 213 3HB ALA 34 3HB ALA 34 -1.200 0.717 -9.671 214 H GLN 35 H GLN 35 1.764 -1.494 -8.542 215 HA GLN 35 HA GLN 35 1.863 -2.752 -5.882 216 1HB GLN 35 2HB GLN 35 3.182 -3.555 -7.812 217 2HB GLN 35 1HB GLN 35 3.992 -1.992 -7.908 218 1HG GLN 35 2HG GLN 35 4.530 -2.488 -5.359 219 2HG GLN 35 1HG GLN 35 4.296 -4.160 -5.869 220 1HE2 GLN 35 1HE2 GLN 35 5.599 -4.793 -7.919 221 2HE2 GLN 35 2HE2 GLN 35 7.150 -4.123 -8.083 222 H CYS 36 H CYS 36 2.830 -1.809 -4.041 223 HA CYS 36 HA CYS 36 3.828 1.001 -4.303 224 1HB CYS 36 2HB CYS 36 1.692 -0.076 -2.447 225 2HB CYS 36 1HB CYS 36 2.430 1.516 -2.267 226 H ALA 37 H ALA 37 4.592 1.659 -1.907 227 HA ALA 37 HA ALA 37 5.644 -0.461 -0.221 228 1HB ALA 37 1HB ALA 37 7.036 -0.629 -2.298 229 2HB ALA 37 2HB ALA 37 7.989 -0.211 -0.875 230 3HB ALA 37 3HB ALA 37 7.556 1.037 -2.044 231 HA PRO 38 HA PRO 38 5.506 3.388 2.057 232 1HB PRO 38 2HB PRO 38 5.810 2.276 4.533 233 2HB PRO 38 1HB PRO 38 4.266 2.286 3.660 234 1HG PRO 38 2HG PRO 38 6.232 0.082 3.996 235 2HG PRO 38 1HG PRO 38 4.464 0.020 3.933 236 1HD PRO 38 2HD PRO 38 6.112 -0.642 1.829 237 2HD PRO 38 1HD PRO 38 4.425 -0.112 1.653 238 H VAL 39 H VAL 39 7.070 4.440 3.653 239 HA VAL 39 HA VAL 39 9.802 3.245 3.544 240 HB VAL 39 HB VAL 39 9.461 4.757 1.607 241 1HG1 VAL 39 1HG1 VAL 39 9.447 7.299 2.713 242 2HG1 VAL 39 2HG1 VAL 39 8.301 6.418 3.723 243 3HG1 VAL 39 3HG1 VAL 39 8.059 6.494 1.979 244 1HG2 VAL 39 1HG2 VAL 39 11.477 5.988 1.887 245 2HG2 VAL 39 2HG2 VAL 39 11.662 4.579 2.932 246 3HG2 VAL 39 3HG2 VAL 39 11.234 6.141 3.627 247 H GLY 40 H GLY 40 8.645 3.036 5.856 248 1HA GLY 40 2HA GLY 40 8.378 3.862 8.076 249 2HA GLY 40 1HA GLY 40 10.087 4.217 7.833 250 H GLY 41 H GLY 41 6.977 5.688 6.782 251 1HA GLY 41 2HA GLY 41 6.999 8.030 8.218 252 2HA GLY 41 1HA GLY 41 8.163 8.358 6.935 253 H GLN 42 H GLN 42 7.254 7.642 4.658 254 HA GLN 42 HA GLN 42 4.421 8.615 4.485 255 1HB GLN 42 2HB GLN 42 6.912 9.500 3.342 256 2HB GLN 42 1HB GLN 42 5.820 9.007 2.048 257 1HG GLN 42 2HG GLN 42 5.622 11.442 2.794 258 2HG GLN 42 1HG GLN 42 4.118 10.521 2.778 259 1HE2 GLN 42 1HE2 GLN 42 2.946 10.502 4.712 260 2HE2 GLN 42 2HE2 GLN 42 3.568 10.961 6.224 261 H ASP 43 H ASP 43 4.088 8.060 1.741 262 HA ASP 43 HA ASP 43 4.508 5.105 1.514 263 1HB ASP 43 2HB ASP 43 2.283 5.633 2.490 264 2HB ASP 43 1HB ASP 43 1.924 6.638 1.086 265 H ALA 44 H ALA 44 5.324 4.629 -0.494 266 HA ALA 44 HA ALA 44 4.895 6.621 -2.701 267 1HB ALA 44 1HB ALA 44 7.142 4.643 -2.656 268 2HB ALA 44 2HB ALA 44 7.216 6.013 -1.547 269 3HB ALA 44 3HB ALA 44 7.118 6.290 -3.287 270 H CYS 45 H CYS 45 3.642 5.832 -4.349 271 HA CYS 45 HA CYS 45 3.389 2.864 -4.654 272 1HB CYS 45 2HB CYS 45 1.642 5.256 -5.045 273 2HB CYS 45 1HB CYS 45 1.344 3.848 -6.063 274 H ASN 46 H ASN 46 2.854 2.299 -7.085 275 HA ASN 46 HA ASN 46 5.033 3.459 -8.739 276 1HB ASN 46 2HB ASN 46 4.051 0.914 -8.241 277 2HB ASN 46 1HB ASN 46 3.400 1.287 -9.839 278 1HD2 ASN 46 1HD2 ASN 46 5.458 2.844 -10.949 279 2HD2 ASN 46 2HD2 ASN 46 6.873 1.912 -11.072 280 HA PRO 47 HA PRO 47 1.775 5.742 -10.802 281 1HB PRO 47 2HB PRO 47 3.437 7.407 -12.184 282 2HB PRO 47 1HB PRO 47 3.035 7.648 -10.474 283 1HG PRO 47 2HG PRO 47 5.512 6.581 -11.699 284 2HG PRO 47 1HG PRO 47 5.294 7.503 -10.204 285 1HD PRO 47 2HD PRO 47 5.692 4.747 -10.366 286 2HD PRO 47 1HD PRO 47 5.058 5.622 -8.956 287 H ALA 48 H ALA 48 4.212 3.703 -12.049 288 HA ALA 48 HA ALA 48 3.545 4.056 -14.885 289 1HB ALA 48 1HB ALA 48 4.988 1.651 -14.299 290 2HB ALA 48 2HB ALA 48 5.615 2.945 -13.276 291 3HB ALA 48 3HB ALA 48 5.599 3.135 -15.030 292 H THR 49 H THR 49 3.144 1.464 -12.460 293 HA THR 49 HA THR 49 1.342 -0.032 -14.257 294 HB THR 49 HB THR 49 1.314 -1.496 -12.110 295 HG1 THR 49 HG1 THR 49 2.059 -0.013 -10.651 296 1HG2 THR 49 1HG2 THR 49 4.091 -1.148 -13.156 297 2HG2 THR 49 2HG2 THR 49 2.816 -1.596 -14.290 298 3HG2 THR 49 3HG2 THR 49 3.167 -2.629 -12.904 299 H ALA 50 H ALA 50 -0.018 2.203 -14.006 300 HA ALA 50 HA ALA 50 -1.882 1.886 -11.680 301 1HB ALA 50 1HB ALA 50 -2.006 4.190 -11.651 302 2HB ALA 50 2HB ALA 50 -1.852 4.319 -13.403 303 3HB ALA 50 3HB ALA 50 -0.421 4.032 -12.410 304 H THR 51 H THR 51 -2.952 0.123 -13.016 305 HA THR 51 HA THR 51 -4.547 1.199 -15.308 306 HB THR 51 HB THR 51 -3.164 -0.777 -15.719 307 HG1 THR 51 HG1 THR 51 -5.805 -1.714 -15.420 308 1HG2 THR 51 1HG2 THR 51 -4.626 -1.835 -13.298 309 2HG2 THR 51 2HG2 THR 51 -2.884 -1.694 -13.541 310 3HG2 THR 51 3HG2 THR 51 -3.806 -2.899 -14.441 311 H SER 52 H SER 52 -6.848 0.772 -15.353 312 HA SER 52 HA SER 52 -8.038 0.317 -12.638 313 1HB SER 52 2HB SER 52 -9.583 1.975 -13.185 314 2HB SER 52 1HB SER 52 -8.171 2.549 -14.065 315 HG SER 52 HG SER 52 -9.008 1.434 -15.904 316 H PHE 53 H PHE 53 -9.020 -1.655 -12.503 317 HA PHE 53 HA PHE 53 -10.155 -2.855 -15.015 318 1HB PHE 53 2HB PHE 53 -9.670 -4.992 -13.973 319 2HB PHE 53 1HB PHE 53 -8.231 -3.982 -13.838 320 HD1 PHE 53 HD1 PHE 53 -7.702 -2.838 -11.688 321 HD2 PHE 53 HD2 PHE 53 -10.908 -5.672 -12.031 322 HE1 PHE 53 HE1 PHE 53 -7.774 -3.051 -9.220 323 HE2 PHE 53 HE2 PHE 53 -10.984 -5.884 -9.561 324 HZ PHE 53 HZ PHE 53 -9.414 -4.571 -8.162 325 H THR 54 H THR 54 -12.334 -3.298 -15.042 326 HA THR 54 HA THR 54 -13.936 -2.591 -12.643 327 HB THR 54 HB THR 54 -14.730 -3.296 -15.484 328 HG1 THR 54 HG1 THR 54 -13.840 -1.441 -15.867 329 1HG2 THR 54 1HG2 THR 54 -16.797 -3.284 -14.581 330 2HG2 THR 54 2HG2 THR 54 -16.585 -1.544 -14.394 331 3HG2 THR 54 3HG2 THR 54 -16.207 -2.626 -13.055 332 H THR 55 H THR 55 -15.694 -4.059 -11.956 333 HA THR 55 HA THR 55 -14.825 -6.862 -11.869 334 HB THR 55 HB THR 55 -17.226 -6.864 -10.657 335 HG1 THR 55 HG1 THR 55 -18.025 -4.939 -10.601 336 1HG2 THR 55 1HG2 THR 55 -14.528 -5.914 -9.769 337 2HG2 THR 55 2HG2 THR 55 -15.421 -7.358 -9.290 338 3HG2 THR 55 3HG2 THR 55 -15.881 -5.783 -8.647 339 H ASP 56 H ASP 56 -16.832 -8.477 -12.099 340 HA ASP 56 HA ASP 56 -17.820 -8.118 -14.894 341 1HB ASP 56 2HB ASP 56 -17.124 -10.388 -13.070 342 2HB ASP 56 1HB ASP 56 -18.317 -10.682 -14.335 343 H ALA 57 H ALA 57 -19.990 -9.876 -14.815 344 HA ALA 57 HA ALA 57 -22.094 -8.242 -13.769 345 1HB ALA 57 1HB ALA 57 -23.175 -10.744 -14.106 346 2HB ALA 57 2HB ALA 57 -21.719 -10.851 -15.092 347 3HB ALA 57 3HB ALA 57 -22.914 -9.594 -15.417 348 H SER 58 H SER 58 -20.401 -11.057 -12.481 349 HA SER 58 HA SER 58 -22.160 -11.181 -10.110 350 1HB SER 58 2HB SER 58 -19.627 -12.721 -10.339 351 2HB SER 58 1HB SER 58 -21.230 -13.273 -9.868 352 HG SER 58 HG SER 58 -20.995 -14.084 -11.861 353 H GLY 59 H GLY 59 -20.071 -8.942 -10.878 354 1HA GLY 59 2HA GLY 59 -18.692 -7.488 -9.657 355 2HA GLY 59 1HA GLY 59 -19.365 -8.221 -8.201 356 H ALA 60 H ALA 60 -17.602 -9.965 -10.725 357 HA ALA 60 HA ALA 60 -15.418 -10.463 -8.723 358 1HB ALA 60 1HB ALA 60 -15.309 -12.729 -9.813 359 2HB ALA 60 2HB ALA 60 -16.720 -12.280 -10.772 360 3HB ALA 60 3HB ALA 60 -16.851 -12.408 -9.018 361 H ALA 61 H ALA 61 -13.275 -10.747 -9.654 362 HA ALA 61 HA ALA 61 -12.965 -10.020 -12.522 363 1HB ALA 61 1HB ALA 61 -12.532 -7.898 -11.856 364 2HB ALA 61 2HB ALA 61 -11.015 -8.534 -11.218 365 3HB ALA 61 3HB ALA 61 -12.419 -8.376 -10.162 366 H SER 62 H SER 62 -10.701 -10.354 -13.248 367 HA SER 62 HA SER 62 -8.734 -11.725 -11.654 368 1HB SER 62 2HB SER 62 -9.178 -13.916 -13.095 369 2HB SER 62 1HB SER 62 -10.067 -13.635 -11.601 370 HG SER 62 HG SER 62 -10.928 -13.670 -14.202 371 H PHE 63 H PHE 63 -6.909 -11.057 -12.727 372 HA PHE 63 HA PHE 63 -6.769 -11.406 -15.666 373 1HB PHE 63 2HB PHE 63 -6.085 -8.975 -15.860 374 2HB PHE 63 1HB PHE 63 -7.772 -9.222 -15.410 375 HD1 PHE 63 HD1 PHE 63 -4.648 -7.735 -14.463 376 HD2 PHE 63 HD2 PHE 63 -8.367 -9.212 -12.897 377 HE1 PHE 63 HE1 PHE 63 -4.270 -6.459 -12.370 378 HE2 PHE 63 HE2 PHE 63 -7.989 -7.934 -10.804 379 HZ PHE 63 HZ PHE 63 -5.943 -6.561 -10.539 380 H SER 64 H SER 64 -4.483 -10.493 -16.364 381 HA SER 64 HA SER 64 -2.504 -11.628 -14.442 382 1HB SER 64 2HB SER 64 -2.276 -10.929 -17.382 383 2HB SER 64 1HB SER 64 -1.140 -11.901 -16.449 384 HG SER 64 HG SER 64 -3.307 -13.116 -16.020 385 H PHE 65 H PHE 65 -1.393 -10.124 -13.252 386 HA PHE 65 HA PHE 65 -0.916 -7.428 -14.449 387 1HB PHE 65 2HB PHE 65 -2.358 -7.304 -12.536 388 2HB PHE 65 1HB PHE 65 -1.334 -8.409 -11.620 389 HD1 PHE 65 HD1 PHE 65 -1.485 -5.022 -13.144 390 HD2 PHE 65 HD2 PHE 65 0.578 -7.636 -10.435 391 HE1 PHE 65 HE1 PHE 65 -0.157 -3.108 -12.308 392 HE2 PHE 65 HE2 PHE 65 1.905 -5.725 -9.597 393 HZ PHE 65 HZ PHE 65 1.543 -3.458 -10.531 394 H VAL 66 H VAL 66 1.209 -6.944 -14.829 395 HA VAL 66 HA VAL 66 3.322 -8.812 -14.011 396 HB VAL 66 HB VAL 66 3.490 -6.124 -15.397 397 1HG1 VAL 66 1HG1 VAL 66 5.527 -7.018 -16.364 398 2HG1 VAL 66 2HG1 VAL 66 5.240 -8.585 -15.609 399 3HG1 VAL 66 3HG1 VAL 66 5.617 -7.182 -14.611 400 1HG2 VAL 66 1HG2 VAL 66 3.237 -7.357 -17.504 401 2HG2 VAL 66 2HG2 VAL 66 1.821 -7.618 -16.488 402 3HG2 VAL 66 3HG2 VAL 66 3.055 -8.869 -16.617 403 H VAL 67 H VAL 67 5.325 -7.946 -12.933 404 HA VAL 67 HA VAL 67 4.720 -5.699 -11.039 405 HB VAL 67 HB VAL 67 5.999 -7.124 -9.362 406 1HG1 VAL 67 1HG1 VAL 67 3.608 -8.663 -10.297 407 2HG1 VAL 67 2HG1 VAL 67 3.389 -6.977 -9.828 408 3HG1 VAL 67 3HG1 VAL 67 4.035 -8.138 -8.669 409 1HG2 VAL 67 1HG2 VAL 67 6.587 -8.624 -11.629 410 2HG2 VAL 67 2HG2 VAL 67 5.357 -9.588 -10.812 411 3HG2 VAL 67 3HG2 VAL 67 6.836 -9.142 -9.963 412 H ARG 68 H ARG 68 6.863 -4.948 -9.969 413 HA ARG 68 HA ARG 68 9.201 -5.270 -11.794 414 1HB ARG 68 2HB ARG 68 7.524 -2.879 -11.263 415 2HB ARG 68 1HB ARG 68 9.267 -2.607 -11.284 416 1HG ARG 68 2HG ARG 68 9.433 -3.005 -13.520 417 2HG ARG 68 1HG ARG 68 8.255 -4.316 -13.472 418 1HD ARG 68 2HD ARG 68 6.419 -2.846 -13.658 419 2HD ARG 68 1HD ARG 68 7.374 -1.446 -13.128 420 HE ARG 68 HE ARG 68 7.795 -2.826 -15.754 421 1HH1 ARG 68 1HH1 ARG 68 10.001 -1.049 -14.748 422 2HH1 ARG 68 2HH1 ARG 68 9.611 0.464 -15.495 423 1HH2 ARG 68 1HH2 ARG 68 6.356 -0.451 -16.264 424 2HH2 ARG 68 2HH2 ARG 68 7.548 0.803 -16.352 425 H LYS 69 H LYS 69 10.528 -6.232 -10.259 426 HA LYS 69 HA LYS 69 10.732 -6.072 -7.549 427 1HB LYS 69 2HB LYS 69 12.231 -7.279 -9.141 428 2HB LYS 69 1HB LYS 69 13.048 -5.751 -9.475 429 1HG LYS 69 2HG LYS 69 13.335 -5.629 -6.879 430 2HG LYS 69 1HG LYS 69 13.034 -7.367 -6.941 431 1HD LYS 69 2HD LYS 69 15.026 -6.171 -8.831 432 2HD LYS 69 1HD LYS 69 15.495 -6.447 -7.152 433 1HE LYS 69 2HE LYS 69 15.279 -8.771 -7.329 434 2HE LYS 69 1HE LYS 69 14.146 -8.655 -8.690 435 1HZ LYS 69 1HZ LYS 69 16.342 -9.268 -9.480 436 2HZ LYS 69 2HZ LYS 69 17.018 -7.891 -8.748 437 3HZ LYS 69 3HZ LYS 69 15.929 -7.722 -10.041 438 H SER 70 H SER 70 12.505 -3.756 -9.629 439 HA SER 70 HA SER 70 12.555 -1.850 -7.328 440 1HB SER 70 2HB SER 70 14.557 -2.807 -8.844 441 2HB SER 70 1HB SER 70 14.101 -1.434 -9.846 442 HG SER 70 HG SER 70 14.359 -0.111 -8.007 443 H TYR 71 H TYR 71 11.786 0.286 -7.629 444 HA TYR 71 HA TYR 71 10.905 1.302 -10.198 445 1HB TYR 71 2HB TYR 71 8.547 1.001 -9.935 446 2HB TYR 71 1HB TYR 71 9.263 -0.562 -9.543 447 HD1 TYR 71 HD1 TYR 71 7.447 2.330 -8.264 448 HD2 TYR 71 HD2 TYR 71 9.511 -1.272 -7.165 449 HE1 TYR 71 HE1 TYR 71 6.414 2.427 -6.012 450 HE2 TYR 71 HE2 TYR 71 8.478 -1.176 -4.911 451 HH TYR 71 HH TYR 71 6.225 1.455 -4.033 452 H THR 72 H THR 72 10.617 3.530 -10.020 453 HA THR 72 HA THR 72 11.364 4.863 -7.599 454 HB THR 72 HB THR 72 9.769 6.239 -9.696 455 HG1 THR 72 HG1 THR 72 11.063 5.703 -11.263 456 1HG2 THR 72 1HG2 THR 72 11.106 8.012 -9.162 457 2HG2 THR 72 2HG2 THR 72 12.538 7.001 -8.976 458 3HG2 THR 72 3HG2 THR 72 11.348 7.092 -7.678 459 H GLY 73 H GLY 73 10.119 5.344 -5.842 460 1HA GLY 73 2HA GLY 73 7.260 4.718 -5.883 461 2HA GLY 73 1HA GLY 73 8.179 5.282 -4.486 462 H SER 74 H SER 74 5.687 6.379 -5.002 463 HA SER 74 HA SER 74 6.219 9.183 -5.021 464 1HB SER 74 2HB SER 74 6.185 9.716 -7.228 465 2HB SER 74 1HB SER 74 6.439 7.999 -7.525 466 HG SER 74 HG SER 74 4.381 9.435 -8.236 467 H THR 75 H THR 75 4.569 9.670 -3.614 468 HA THR 75 HA THR 75 2.227 8.343 -3.033 469 HB THR 75 HB THR 75 1.351 10.692 -2.516 470 HG1 THR 75 HG1 THR 75 2.637 12.374 -3.027 471 1HG2 THR 75 1HG2 THR 75 4.018 9.632 -1.621 472 2HG2 THR 75 2HG2 THR 75 2.490 9.677 -0.741 473 3HG2 THR 75 3HG2 THR 75 3.413 11.161 -0.983 474 HA PRO 76 HA PRO 76 -0.207 8.442 -6.702 475 1HB PRO 76 2HB PRO 76 -2.663 8.002 -5.579 476 2HB PRO 76 1HB PRO 76 -1.445 6.725 -5.777 477 1HG PRO 76 2HG PRO 76 -2.133 8.320 -3.353 478 2HG PRO 76 1HG PRO 76 -1.753 6.595 -3.497 479 1HD PRO 76 2HD PRO 76 0.050 8.424 -2.620 480 2HD PRO 76 1HD PRO 76 0.520 6.958 -3.511 481 H GLU 77 H GLU 77 -0.443 10.683 -4.138 482 HA GLU 77 HA GLU 77 -2.685 12.264 -5.046 483 1HB GLU 77 2HB GLU 77 -0.961 12.122 -2.870 484 2HB GLU 77 1HB GLU 77 -0.546 13.663 -3.622 485 1HG GLU 77 2HG GLU 77 -2.301 14.347 -2.280 486 2HG GLU 77 1HG GLU 77 -3.190 13.919 -3.743 487 H GLY 78 H GLY 78 0.754 12.204 -5.831 488 1HA GLY 78 2HA GLY 78 1.204 13.042 -8.196 489 2HA GLY 78 1HA GLY 78 0.294 14.476 -7.722 490 H THR 79 H THR 79 3.016 12.552 -6.401 491 HA THR 79 HA THR 79 4.780 14.887 -6.421 492 HB THR 79 HB THR 79 3.864 13.757 -3.764 493 HG1 THR 79 HG1 THR 79 2.331 15.201 -3.752 494 1HG2 THR 79 1HG2 THR 79 6.150 14.944 -4.109 495 2HG2 THR 79 2HG2 THR 79 5.121 15.482 -2.782 496 3HG2 THR 79 3HG2 THR 79 5.185 16.411 -4.280 497 HA PRO 80 HA PRO 80 7.473 11.371 -6.520 498 1HB PRO 80 2HB PRO 80 9.835 12.747 -6.580 499 2HB PRO 80 1HB PRO 80 8.774 12.590 -7.994 500 1HG PRO 80 2HG PRO 80 9.116 14.885 -6.132 501 2HG PRO 80 1HG PRO 80 8.836 14.879 -7.881 502 1HD PRO 80 2HD PRO 80 6.884 15.385 -6.015 503 2HD PRO 80 1HD PRO 80 6.566 14.755 -7.647 504 H VAL 81 H VAL 81 8.325 10.170 -4.837 505 HA VAL 81 HA VAL 81 8.938 11.618 -2.292 506 HB VAL 81 HB VAL 81 8.001 8.807 -2.866 507 1HG1 VAL 81 1HG1 VAL 81 9.306 9.929 -0.567 508 2HG1 VAL 81 2HG1 VAL 81 8.706 8.287 -0.795 509 3HG1 VAL 81 3HG1 VAL 81 7.639 9.533 -0.148 510 1HG2 VAL 81 1HG2 VAL 81 6.446 10.908 -3.095 511 2HG2 VAL 81 2HG2 VAL 81 6.496 10.908 -1.332 512 3HG2 VAL 81 3HG2 VAL 81 5.868 9.504 -2.195 513 H GLY 82 H GLY 82 10.109 9.243 -4.610 514 1HA GLY 82 2HA GLY 82 12.786 9.560 -4.438 515 2HA GLY 82 1HA GLY 82 12.480 8.636 -2.964 516 H SER 83 H SER 83 13.896 7.009 -4.115 517 HA SER 83 HA SER 83 12.396 5.479 -6.199 518 1HB SER 83 2HB SER 83 14.521 4.768 -6.950 519 2HB SER 83 1HB SER 83 14.783 6.446 -6.486 520 HG SER 83 HG SER 83 16.346 4.909 -5.648 521 H VAL 84 H VAL 84 12.295 3.144 -5.970 522 HA VAL 84 HA VAL 84 12.778 2.142 -3.182 523 HB VAL 84 HB VAL 84 10.376 1.986 -5.006 524 1HG1 VAL 84 1HG1 VAL 84 11.124 0.102 -2.755 525 2HG1 VAL 84 2HG1 VAL 84 10.719 -0.317 -4.420 526 3HG1 VAL 84 3HG1 VAL 84 9.470 0.295 -3.335 527 1HG2 VAL 84 1HG2 VAL 84 10.854 3.682 -3.027 528 2HG2 VAL 84 2HG2 VAL 84 10.340 2.324 -2.026 529 3HG2 VAL 84 3HG2 VAL 84 9.247 2.989 -3.238 530 H ASP 85 H ASP 85 13.233 -0.166 -3.080 531 HA ASP 85 HA ASP 85 13.655 -1.600 -5.645 532 1HB ASP 85 2HB ASP 85 16.041 -2.077 -4.826 533 2HB ASP 85 1HB ASP 85 15.729 -0.441 -5.405 534 H CYS 86 H CYS 86 12.527 -3.457 -5.176 535 HA CYS 86 HA CYS 86 12.307 -4.528 -2.477 536 1HB CYS 86 2HB CYS 86 10.898 -4.644 -4.853 537 2HB CYS 86 1HB CYS 86 11.595 -6.260 -4.738 538 H ALA 87 H ALA 87 14.827 -4.645 -4.675 539 HA ALA 87 HA ALA 87 15.698 -7.291 -4.879 540 1HB ALA 87 1HB ALA 87 16.726 -4.895 -5.479 541 2HB ALA 87 2HB ALA 87 17.761 -6.316 -5.340 542 3HB ALA 87 3HB ALA 87 17.633 -5.182 -3.995 543 H THR 88 H THR 88 15.887 -5.099 -2.136 544 HA THR 88 HA THR 88 16.260 -7.413 -0.307 545 HB THR 88 HB THR 88 18.506 -6.700 -0.703 546 HG1 THR 88 HG1 THR 88 18.149 -6.833 1.479 547 1HG2 THR 88 1HG2 THR 88 18.819 -4.698 -1.681 548 2HG2 THR 88 2HG2 THR 88 18.572 -3.949 -0.104 549 3HG2 THR 88 3HG2 THR 88 17.208 -4.164 -1.200 550 H ALA 89 H ALA 89 14.335 -5.015 -1.134 551 HA ALA 89 HA ALA 89 13.898 -3.934 1.613 552 1HB ALA 89 1HB ALA 89 13.034 -2.021 0.534 553 2HB ALA 89 2HB ALA 89 12.717 -2.908 -0.958 554 3HB ALA 89 3HB ALA 89 14.373 -2.509 -0.504 555 H ALA 90 H ALA 90 11.404 -3.304 1.792 556 HA ALA 90 HA ALA 90 9.880 -5.821 1.277 557 1HB ALA 90 1HB ALA 90 9.925 -3.651 3.325 558 2HB ALA 90 2HB ALA 90 9.765 -5.393 3.545 559 3HB ALA 90 3HB ALA 90 8.377 -4.440 3.022 560 H CYS 91 H CYS 91 7.877 -5.740 0.208 561 HA CYS 91 HA CYS 91 6.849 -3.096 -0.721 562 1HB CYS 91 2HB CYS 91 7.300 -5.422 -2.613 563 2HB CYS 91 1HB CYS 91 6.968 -3.740 -3.022 564 H ASN 92 H ASN 92 4.634 -3.427 -1.764 565 HA ASN 92 HA ASN 92 3.259 -5.974 -1.273 566 1HB ASN 92 2HB ASN 92 3.405 -5.036 0.983 567 2HB ASN 92 1HB ASN 92 2.721 -3.513 0.416 568 1HD2 ASN 92 1HD2 ASN 92 1.563 -5.382 2.444 569 2HD2 ASN 92 2HD2 ASN 92 0.042 -5.828 1.842 570 H LEU 93 H LEU 93 1.702 -6.089 -2.826 571 HA LEU 93 HA LEU 93 1.011 -3.734 -4.414 572 1HB LEU 93 2HB LEU 93 1.352 -5.823 -5.529 573 2HB LEU 93 1HB LEU 93 0.296 -6.673 -4.403 574 HG LEU 93 HG LEU 93 -1.539 -5.024 -5.278 575 1HD1 LEU 93 1HD1 LEU 93 -0.062 -5.103 -7.846 576 2HD1 LEU 93 2HD1 LEU 93 0.542 -3.956 -6.650 577 3HD1 LEU 93 3HD1 LEU 93 -1.132 -3.859 -7.200 578 1HD2 LEU 93 1HD2 LEU 93 -1.988 -6.602 -7.181 579 2HD2 LEU 93 2HD2 LEU 93 -1.636 -7.417 -5.657 580 3HD2 LEU 93 3HD2 LEU 93 -0.396 -7.309 -6.907 581 H GLY 94 H GLY 94 -1.031 -2.724 -4.440 582 1HA GLY 94 2HA GLY 94 -3.047 -3.721 -2.481 583 2HA GLY 94 1HA GLY 94 -2.572 -2.023 -2.468 584 H ALA 95 H ALA 95 -5.226 -3.174 -3.017 585 HA ALA 95 HA ALA 95 -5.622 -1.986 -5.743 586 1HB ALA 95 1HB ALA 95 -6.199 -4.676 -4.675 587 2HB ALA 95 2HB ALA 95 -5.986 -4.155 -6.347 588 3HB ALA 95 3HB ALA 95 -7.542 -3.936 -5.547 589 H GLY 96 H GLY 96 -8.096 -1.541 -6.037 590 1HA GLY 96 2HA GLY 96 -10.228 -1.184 -4.728 591 2HA GLY 96 1HA GLY 96 -9.206 -0.552 -3.437 592 H ASN 97 H ASN 97 -11.162 1.118 -4.289 593 HA ASN 97 HA ASN 97 -9.643 3.197 -5.792 594 1HB ASN 97 2HB ASN 97 -11.542 3.598 -7.202 595 2HB ASN 97 1HB ASN 97 -11.300 1.858 -7.186 596 1HD2 ASN 97 1HD2 ASN 97 -13.774 3.943 -7.176 597 2HD2 ASN 97 2HD2 ASN 97 -14.869 3.142 -6.155 598 H SER 98 H SER 98 -11.824 5.050 -5.774 599 HA SER 98 HA SER 98 -11.702 5.911 -2.954 600 1HB SER 98 2HB SER 98 -12.225 7.036 -5.630 601 2HB SER 98 1HB SER 98 -13.175 7.764 -4.338 602 HG SER 98 HG SER 98 -11.244 8.172 -3.233 603 H GLY 99 H GLY 99 -13.148 4.032 -2.272 604 1HA GLY 99 2HA GLY 99 -15.646 4.698 -1.440 605 2HA GLY 99 1HA GLY 99 -15.962 4.203 -3.104 606 H LEU 100 H LEU 100 -13.881 2.159 -3.155 607 HA LEU 100 HA LEU 100 -14.859 0.214 -1.106 608 1HB LEU 100 2HB LEU 100 -16.111 0.223 -3.368 609 2HB LEU 100 1HB LEU 100 -14.623 -0.447 -4.042 610 HG LEU 100 HG LEU 100 -15.970 -1.663 -1.627 611 1HD1 LEU 100 1HD1 LEU 100 -16.350 -3.162 -4.071 612 2HD1 LEU 100 2HD1 LEU 100 -17.044 -1.549 -4.235 613 3HD1 LEU 100 3HD1 LEU 100 -17.559 -2.601 -2.917 614 1HD2 LEU 100 1HD2 LEU 100 -13.577 -2.152 -3.185 615 2HD2 LEU 100 2HD2 LEU 100 -14.643 -3.554 -3.253 616 3HD2 LEU 100 3HD2 LEU 100 -14.105 -2.932 -1.694 617 H ASP 101 H ASP 101 -12.979 -0.438 -0.113 618 HA ASP 101 HA ASP 101 -10.446 -0.535 -1.655 619 1HB ASP 101 2HB ASP 101 -10.526 0.526 0.557 620 2HB ASP 101 1HB ASP 101 -11.148 -0.965 1.266 621 H LEU 102 H LEU 102 -9.668 -2.450 -2.459 622 HA LEU 102 HA LEU 102 -11.147 -4.932 -2.078 623 1HB LEU 102 2HB LEU 102 -8.645 -4.055 -3.518 624 2HB LEU 102 1HB LEU 102 -9.142 -5.747 -3.496 625 HG LEU 102 HG LEU 102 -10.795 -3.414 -4.501 626 1HD1 LEU 102 1HD1 LEU 102 -9.371 -3.836 -6.260 627 2HD1 LEU 102 2HD1 LEU 102 -10.584 -5.074 -6.586 628 3HD1 LEU 102 3HD1 LEU 102 -9.083 -5.503 -5.764 629 1HD2 LEU 102 1HD2 LEU 102 -11.410 -6.282 -3.908 630 2HD2 LEU 102 2HD2 LEU 102 -12.150 -5.552 -5.333 631 3HD2 LEU 102 3HD2 LEU 102 -12.436 -4.860 -3.737 632 H GLY 103 H GLY 103 -7.656 -5.061 -2.033 633 1HA GLY 103 2HA GLY 103 -7.506 -5.588 0.847 634 2HA GLY 103 1HA GLY 103 -7.269 -7.009 -0.172 635 H HIS 104 H HIS 104 -5.121 -6.600 1.201 636 HA HIS 104 HA HIS 104 -3.234 -5.128 -0.607 637 1HB HIS 104 2HB HIS 104 -4.001 -4.306 1.863 638 2HB HIS 104 1HB HIS 104 -2.647 -5.348 2.299 639 HD1 HIS 104 HD1 HIS 104 -0.713 -3.812 2.669 640 HD2 HIS 104 HD2 HIS 104 -2.856 -2.796 -0.757 641 HE1 HIS 104 HE1 HIS 104 0.563 -1.925 1.560 642 H VAL 105 H VAL 105 -2.026 -6.773 -1.555 643 HA VAL 105 HA VAL 105 -1.363 -9.183 0.085 644 HB VAL 105 HB VAL 105 -1.228 -8.517 -2.870 645 1HG1 VAL 105 1HG1 VAL 105 -0.248 -10.877 -1.288 646 2HG1 VAL 105 2HG1 VAL 105 0.506 -10.068 -2.661 647 3HG1 VAL 105 3HG1 VAL 105 -0.877 -11.127 -2.914 648 1HG2 VAL 105 1HG2 VAL 105 -3.092 -10.026 -3.076 649 2HG2 VAL 105 2HG2 VAL 105 -3.481 -8.919 -1.758 650 3HG2 VAL 105 3HG2 VAL 105 -2.924 -10.554 -1.402 651 H ALA 106 H ALA 106 0.689 -9.370 0.905 652 HA ALA 106 HA ALA 106 2.711 -7.344 0.225 653 1HB ALA 106 1HB ALA 106 3.149 -9.750 1.964 654 2HB ALA 106 2HB ALA 106 2.056 -8.478 2.506 655 3HB ALA 106 3HB ALA 106 3.748 -8.106 2.174 656 H LEU 107 H LEU 107 4.536 -7.721 -1.017 657 HA LEU 107 HA LEU 107 4.784 -10.448 -2.247 658 1HB LEU 107 2HB LEU 107 5.734 -7.773 -3.320 659 2HB LEU 107 1HB LEU 107 5.564 -9.285 -4.212 660 HG LEU 107 HG LEU 107 3.200 -7.966 -2.870 661 1HD1 LEU 107 1HD1 LEU 107 4.647 -6.739 -4.857 662 2HD1 LEU 107 2HD1 LEU 107 2.923 -6.496 -4.573 663 3HD1 LEU 107 3HD1 LEU 107 3.462 -7.658 -5.786 664 1HD2 LEU 107 1HD2 LEU 107 3.380 -9.814 -5.267 665 2HD2 LEU 107 2HD2 LEU 107 1.926 -9.355 -4.381 666 3HD2 LEU 107 3HD2 LEU 107 3.135 -10.386 -3.617 667 H THR 108 H THR 108 7.184 -10.737 -3.048 668 HA THR 108 HA THR 108 9.226 -9.437 -1.400 669 HB THR 108 HB THR 108 8.814 -12.387 -1.028 670 HG1 THR 108 HG1 THR 108 7.214 -12.034 0.274 671 1HG2 THR 108 1HG2 THR 108 10.132 -10.188 0.570 672 2HG2 THR 108 2HG2 THR 108 10.927 -11.531 -0.252 673 3HG2 THR 108 3HG2 THR 108 9.920 -11.836 1.164 674 H PHE 109 H PHE 109 10.511 -9.066 -3.192 675 HA PHE 109 HA PHE 109 10.903 -11.034 -5.291 676 1HB PHE 109 2HB PHE 109 12.144 -8.399 -4.490 677 2HB PHE 109 1HB PHE 109 12.714 -9.303 -5.893 678 HD1 PHE 109 HD1 PHE 109 9.552 -7.979 -4.354 679 HD2 PHE 109 HD2 PHE 109 11.654 -9.038 -7.948 680 HE1 PHE 109 HE1 PHE 109 7.687 -7.070 -5.717 681 HE2 PHE 109 HE2 PHE 109 9.791 -8.129 -9.311 682 HZ PHE 109 HZ PHE 109 7.806 -7.145 -8.196 683 H GLY 110 H GLY 110 12.451 -12.628 -5.354 684 1HA GLY 110 2HA GLY 110 15.037 -12.476 -4.190 685 2HA GLY 110 1HA GLY 110 13.986 -13.329 -3.060 686 2H2' ROM 111 2H2' ROM 111 -10.392 5.630 -7.442 687 2H3' ROM 111 2H3' ROM 111 -7.871 6.111 -8.668 688 H'1 ROM 111 H'1 ROM 111 -4.074 4.589 -9.531 689 3H18 ROM 111 3H18 ROM 111 -3.177 -0.574 0.442 690 2H18 ROM 111 2H18 ROM 111 -4.595 0.093 1.096 691 2H23 ROM 111 2H23 ROM 111 -5.673 5.965 0.068 692 H1' ROM 111 H1' ROM 111 -7.622 6.771 -5.612 693 H2' ROM 111 H2' ROM 111 -10.388 7.669 -6.375 694 H3' ROM 111 H3' ROM 111 -9.461 7.502 -8.641 695 H4' ROM 111 H4' ROM 111 -9.299 9.641 -7.505 696 1H6B ROM 111 1H6B ROM 111 -6.787 11.157 -6.792 697 3H6B ROM 111 3H6B ROM 111 -8.363 11.217 -6.001 698 2H6B ROM 111 2H6B ROM 111 -6.916 10.869 -5.055 699 1H6A ROM 111 1H6A ROM 111 -5.664 9.092 -7.210 700 3H6A ROM 111 3H6A ROM 111 -5.659 8.711 -5.491 701 2H6A ROM 111 2H6A ROM 111 -6.304 7.553 -6.647 702 1H4B ROM 111 1H4B ROM 111 -8.920 9.604 -10.404 703 3H4B ROM 111 3H4B ROM 111 -9.435 10.675 -9.088 704 2H4B ROM 111 2H4B ROM 111 -8.084 11.144 -10.133 705 1H4A ROM 111 1H4A ROM 111 -6.136 8.245 -8.800 706 3H4A ROM 111 3H4A ROM 111 -7.523 7.888 -9.843 707 2H4A ROM 111 2H4A ROM 111 -6.371 9.152 -10.303 708 H'8 ROM 111 H'8 ROM 111 -0.256 5.473 -6.987 709 H'6 ROM 111 H'6 ROM 111 -0.308 8.384 -10.107 710 1H3A ROM 111 1H3A ROM 111 -5.340 8.554 -12.181 711 2H3A ROM 111 2H3A ROM 111 -4.225 7.808 -13.458 712 1H7A ROM 111 1H7A ROM 111 1.819 5.802 -8.939 713 3H7A ROM 111 3H7A ROM 111 3.002 6.862 -8.171 714 2H7A ROM 111 2H7A ROM 111 1.941 5.862 -7.180 715 H3 ROM 111 H3 ROM 111 -4.296 5.843 -4.938 716 H6 ROM 111 H6 ROM 111 -7.262 2.126 -3.610 717 H5 ROM 111 H5 ROM 111 -5.114 1.623 -4.755 718 H12 ROM 111 H12 ROM 111 -5.106 7.841 -3.291 719 H8 ROM 111 H8 ROM 111 -9.089 4.355 -3.424 720 H13 ROM 111 H13 ROM 111 -3.305 2.543 -6.216 721 H10 ROM 111 H10 ROM 111 -8.813 7.294 -1.314 722 H11 ROM 111 H11 ROM 111 -6.598 8.691 -1.376 723 2H14 ROM 111 2H14 ROM 111 -1.192 2.920 -5.009 724 1H14 ROM 111 1H14 ROM 111 -2.020 3.998 -3.880 725 2H17 ROM 111 2H17 ROM 111 -3.464 0.260 -2.203 726 1H17 ROM 111 1H17 ROM 111 -1.944 0.520 -1.351 727 H18 ROM 111 H18 ROM 111 -3.028 1.807 0.361 728 H20 ROM 111 H20 ROM 111 -6.167 0.462 -0.918 729 H24 ROM 111 H24 ROM 111 -3.871 4.011 -0.347 730 4H18 ROM 111 4H18 ROM 111 -4.607 -0.556 -0.472
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