NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
458165 | 2kqy | 16617 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.393 0.040 -2.064 3 HB1 ALA 1 1HB ALA 1 3.592 1.181 -2.205 4 HB2 ALA 1 2HB ALA 1 2.366 2.118 -1.350 5 HB3 ALA 1 3HB ALA 1 3.618 1.269 -0.444 6 H ILE 2 H ILE 2 2.762 -1.217 -3.360 7 HA ILE 2 HA ILE 2 4.165 -3.364 -1.909 8 HB ILE 2 HB ILE 2 2.178 -4.083 -3.233 9 HG12 ILE 2 2HG1 ILE 2 3.364 -5.936 -4.423 10 HG13 ILE 2 3HG1 ILE 2 4.883 -5.097 -4.131 11 HG21 ILE 2 1HG2 ILE 2 1.902 -3.648 -5.423 12 HG22 ILE 2 2HG2 ILE 2 3.014 -2.319 -5.100 13 HG23 ILE 2 3HG2 ILE 2 3.619 -3.829 -5.783 14 HD11 ILE 2 3HD1 ILE 2 4.549 -5.313 -1.731 15 HD12 ILE 2 1HD1 ILE 2 3.014 -6.133 -2.013 16 HD13 ILE 2 2HD1 ILE 2 4.524 -6.886 -2.527 17 H THR 3 H THR 3 4.426 -0.888 -4.299 18 HA THR 3 HA THR 3 6.670 -1.774 -5.727 19 HB THR 3 HB THR 3 7.055 0.605 -6.283 20 HG1 THR 3 HG1 THR 3 5.405 2.084 -5.385 21 HG21 THR 3 3HG2 THR 3 4.223 0.724 -6.632 22 HG22 THR 3 1HG2 THR 3 4.751 -0.946 -6.833 23 HG23 THR 3 2HG2 THR 3 5.466 0.330 -7.819 24 H ASP 4 H ASP 4 6.366 -0.230 -2.604 25 HA ASP 4 HA ASP 4 8.981 0.658 -2.228 26 HB2 ASP 4 2HB ASP 4 6.825 -0.257 -0.350 27 HB3 ASP 4 3HB ASP 4 8.424 0.146 0.267 28 H ILE 5 H ILE 5 7.710 -2.537 -2.322 29 HA ILE 5 HA ILE 5 10.256 -3.606 -1.295 30 HB ILE 5 HB ILE 5 7.881 -5.373 -1.599 31 HG12 ILE 5 2HG1 ILE 5 8.243 -3.385 0.652 32 HG13 ILE 5 3HG1 ILE 5 6.913 -3.432 -0.500 33 HG21 ILE 5 1HG2 ILE 5 10.118 -6.200 -0.912 34 HG22 ILE 5 2HG2 ILE 5 10.002 -5.199 0.534 35 HG23 ILE 5 3HG2 ILE 5 8.855 -6.514 0.279 36 HD11 ILE 5 3HD1 ILE 5 7.519 -5.342 1.728 37 HD12 ILE 5 1HD1 ILE 5 6.073 -4.365 1.473 38 HD13 ILE 5 2HD1 ILE 5 6.405 -5.740 0.420 39 H LEU 6 H LEU 6 7.675 -4.417 -3.623 40 HA LEU 6 HA LEU 6 9.512 -6.001 -5.198 41 HB2 LEU 6 2HB LEU 6 6.619 -5.567 -5.068 42 HB3 LEU 6 3HB LEU 6 7.243 -5.774 -6.704 43 HG LEU 6 HG LEU 6 8.076 -7.953 -6.185 44 HD11 LEU 6 1HD1 LEU 6 7.961 -6.981 -3.475 45 HD12 LEU 6 2HD1 LEU 6 8.838 -8.358 -4.141 46 HD13 LEU 6 3HD1 LEU 6 7.163 -8.547 -3.622 47 HD21 LEU 6 3HD2 LEU 6 5.453 -8.076 -4.801 48 HD22 LEU 6 1HD2 LEU 6 6.081 -9.050 -6.130 49 HD23 LEU 6 2HD2 LEU 6 5.493 -7.416 -6.436 50 H SER 7 H SER 7 9.150 -5.625 -7.725 51 HA SER 7 HA SER 7 9.630 -2.762 -8.238 52 HB2 SER 7 2HB SER 7 11.347 -5.023 -8.713 53 HB3 SER 7 3HB SER 7 10.932 -4.259 -10.248 54 HG SER 7 HG SER 7 11.506 -2.227 -9.064 55 H ALA 8 H ALA 8 8.454 -1.843 -9.801 56 HA ALA 8 HA ALA 8 6.271 -3.188 -10.967 57 HB1 ALA 8 1HB ALA 8 6.891 -0.855 -12.477 58 HB2 ALA 8 2HB ALA 8 5.607 -1.097 -11.291 59 HB3 ALA 8 3HB ALA 8 7.191 -0.521 -10.771 60 H LYS 9 H LYS 9 9.549 -3.053 -11.857 61 HA LYS 9 HA LYS 9 8.971 -3.760 -14.644 62 HB2 LYS 9 2HB LYS 9 10.830 -2.056 -13.674 63 HB3 LYS 9 3HB LYS 9 11.776 -3.538 -13.725 64 HG2 LYS 9 2HG LYS 9 11.379 -3.782 -16.076 65 HG3 LYS 9 3HG LYS 9 10.253 -2.422 -16.069 66 HD2 LYS 9 2HD LYS 9 12.306 -1.108 -15.123 67 HD3 LYS 9 3HD LYS 9 13.233 -2.426 -15.844 68 HE2 LYS 9 2HE LYS 9 11.245 -0.677 -17.292 69 HE3 LYS 9 3HE LYS 9 12.999 -0.513 -17.368 70 HZ1 LYS 9 3HZ LYS 9 13.111 -2.101 -18.894 71 HZ2 LYS 9 1HZ LYS 9 11.423 -2.060 -18.998 72 HZ3 LYS 9 2HZ LYS 9 12.180 -3.170 -17.970 73 H ASP 10 H ASP 10 9.345 -5.267 -11.749 74 HA ASP 10 HA ASP 10 10.615 -7.636 -12.954 75 HB2 ASP 10 2HB ASP 10 10.400 -6.804 -10.054 76 HB3 ASP 10 3HB ASP 10 11.037 -8.355 -10.594 77 H ILE 11 H ILE 11 7.842 -6.438 -11.183 78 HA ILE 11 HA ILE 11 6.625 -8.895 -10.573 79 HB ILE 11 HB ILE 11 5.350 -6.209 -11.102 80 HG12 ILE 11 2HG1 ILE 11 5.731 -7.493 -8.416 81 HG13 ILE 11 3HG1 ILE 11 7.054 -6.604 -9.164 82 HG21 ILE 11 1HG2 ILE 11 4.222 -8.825 -10.229 83 HG22 ILE 11 2HG2 ILE 11 3.549 -7.336 -9.567 84 HG23 ILE 11 3HG2 ILE 11 3.542 -7.608 -11.309 85 HD11 ILE 11 3HD1 ILE 11 5.450 -5.410 -7.517 86 HD12 ILE 11 1HD1 ILE 11 5.972 -4.585 -8.985 87 HD13 ILE 11 2HD1 ILE 11 4.373 -5.327 -8.911 88 H GLU 12 H GLU 12 5.885 -6.646 -13.247 89 HA GLU 12 HA GLU 12 4.162 -8.454 -14.581 90 HB2 GLU 12 2HB GLU 12 5.605 -5.973 -15.515 91 HB3 GLU 12 3HB GLU 12 4.491 -6.875 -16.534 92 HG2 GLU 12 2HG GLU 12 2.653 -6.210 -15.360 93 HG3 GLU 12 3HG GLU 12 3.549 -6.003 -13.857 94 H SER 13 H SER 13 7.588 -8.064 -14.523 95 HA SER 13 HA SER 13 8.032 -9.510 -16.991 96 HB2 SER 13 2HB SER 13 9.923 -8.492 -14.861 97 HB3 SER 13 3HB SER 13 10.450 -9.342 -16.313 98 HG SER 13 HG SER 13 10.496 -7.047 -16.540 99 H ALA 14 H ALA 14 7.166 -10.379 -13.924 100 HA ALA 14 HA ALA 14 8.568 -12.965 -14.081 101 HB1 ALA 14 1HB ALA 14 8.254 -13.195 -11.713 102 HB2 ALA 14 2HB ALA 14 8.963 -11.611 -12.034 103 HB3 ALA 14 3HB ALA 14 7.244 -11.749 -11.662 104 H LEU 15 H LEU 15 5.482 -11.403 -14.083 105 HA LEU 15 HA LEU 15 3.788 -13.475 -13.335 106 HB2 LEU 15 2HB LEU 15 3.543 -11.062 -15.035 107 HB3 LEU 15 3HB LEU 15 2.286 -12.287 -15.194 108 HG LEU 15 HG LEU 15 3.047 -10.886 -12.632 109 HD11 LEU 15 1HD1 LEU 15 1.880 -9.209 -13.556 110 HD12 LEU 15 2HD1 LEU 15 0.478 -10.203 -13.159 111 HD13 LEU 15 3HD1 LEU 15 1.159 -10.248 -14.785 112 HD21 LEU 15 3HD2 LEU 15 1.654 -13.313 -13.109 113 HD22 LEU 15 1HD2 LEU 15 0.487 -12.108 -12.564 114 HD23 LEU 15 2HD2 LEU 15 1.905 -12.469 -11.580 115 H SER 16 H SER 16 4.450 -12.519 -16.709 116 HA SER 16 HA SER 16 3.761 -15.222 -17.570 117 HB2 SER 16 2HB SER 16 4.196 -14.006 -19.892 118 HB3 SER 16 3HB SER 16 2.686 -13.782 -19.010 119 HG SER 16 HG SER 16 3.252 -11.786 -18.509 120 H SER 17 H SER 17 6.193 -14.902 -16.135 121 HA SER 17 HA SER 17 8.203 -15.348 -18.241 122 HB2 SER 17 2HB SER 17 8.280 -13.760 -15.882 123 HB3 SER 17 3HB SER 17 9.418 -15.089 -15.666 124 HG SER 17 HG SER 17 10.006 -14.411 -17.987 125 H CYS 18 H CYS 18 6.761 -16.638 -15.317 126 HA CYS 18 HA CYS 18 8.300 -19.120 -15.688 127 HB2 CYS 18 2HB CYS 18 6.834 -18.272 -13.187 128 HB3 CYS 18 3HB CYS 18 7.984 -19.592 -13.358 129 HG CYS 18 HG CYS 18 9.108 -17.459 -11.872 130 H GLN 19 H GLN 19 6.099 -18.617 -17.327 131 HA GLN 19 HA GLN 19 4.000 -20.351 -16.218 132 HB2 GLN 19 2HB GLN 19 3.855 -18.523 -18.621 133 HB3 GLN 19 3HB GLN 19 2.521 -19.426 -17.916 134 HG2 GLN 19 2HG GLN 19 4.061 -17.348 -16.391 135 HG3 GLN 19 3HG GLN 19 2.640 -16.969 -17.363 136 HE21 GLN 19 1HE2 GLN 19 0.898 -18.884 -16.881 137 HE22 GLN 19 2HE2 GLN 19 0.498 -18.986 -15.203 138 H ALA 20 H ALA 20 6.670 -21.000 -17.590 139 HA ALA 20 HA ALA 20 5.570 -23.105 -19.282 140 HB1 ALA 20 1HB ALA 20 6.414 -20.886 -20.535 141 HB2 ALA 20 2HB ALA 20 7.937 -21.772 -20.435 142 HB3 ALA 20 3HB ALA 20 6.542 -22.502 -21.230 143 H ALA 21 H ALA 21 7.409 -24.617 -19.999 144 HA ALA 21 HA ALA 21 8.925 -25.290 -17.623 145 HB1 ALA 21 1HB ALA 21 8.899 -27.402 -18.379 146 HB2 ALA 21 2HB ALA 21 7.655 -26.810 -19.480 147 HB3 ALA 21 3HB ALA 21 9.329 -26.927 -20.022 148 H ASP 22 H ASP 22 9.454 -23.625 -20.543 149 HA ASP 22 HA ASP 22 12.372 -23.879 -20.216 150 HB2 ASP 22 2HB ASP 22 11.622 -24.721 -22.380 151 HB3 ASP 22 3HB ASP 22 10.783 -23.205 -22.702 152 H SER 23 H SER 23 9.767 -21.842 -19.781 153 HA SER 23 HA SER 23 11.068 -19.359 -20.442 154 HB2 SER 23 2HB SER 23 8.517 -19.878 -20.396 155 HB3 SER 23 3HB SER 23 8.653 -19.574 -18.664 156 HG SER 23 HG SER 23 9.744 -17.719 -20.459 157 H PHE 24 H PHE 24 10.661 -21.363 -17.616 158 HA PHE 24 HA PHE 24 11.808 -19.316 -15.878 159 HB2 PHE 24 2HB PHE 24 9.897 -20.551 -15.005 160 HB3 PHE 24 3HB PHE 24 10.736 -22.077 -15.262 161 HD1 PHE 24 HD2 PHE 24 11.863 -18.859 -13.758 162 HD2 PHE 24 HD1 PHE 24 11.143 -23.017 -13.202 163 HE1 PHE 24 HE2 PHE 24 12.808 -18.716 -11.491 164 HE2 PHE 24 HE1 PHE 24 12.086 -22.880 -10.934 165 HZ PHE 24 HZ PHE 24 12.921 -20.728 -10.076 166 H ASN 25 H ASN 25 13.870 -19.397 -17.043 167 HA ASN 25 HA ASN 25 15.479 -21.784 -16.485 168 HB2 ASN 25 2HB ASN 25 17.084 -20.876 -18.084 169 HB3 ASN 25 3HB ASN 25 15.477 -20.933 -18.804 170 HD21 ASN 25 1HD2 ASN 25 17.583 -19.335 -19.735 171 HD22 ASN 25 2HD2 ASN 25 17.135 -17.679 -19.534 172 H TYR 26 H TYR 26 17.933 -21.068 -16.148 173 HA TYR 26 HA TYR 26 18.192 -20.161 -13.564 174 HB2 TYR 26 2HB TYR 26 20.610 -19.651 -14.236 175 HB3 TYR 26 3HB TYR 26 20.039 -21.297 -14.488 176 HD1 TYR 26 HD2 TYR 26 20.794 -18.102 -16.192 177 HD2 TYR 26 HD1 TYR 26 19.973 -22.251 -16.659 178 HE1 TYR 26 HE2 TYR 26 21.453 -17.960 -18.557 179 HE2 TYR 26 HE1 TYR 26 20.631 -22.121 -19.026 180 HH TYR 26 HH TYR 26 20.903 -19.306 -20.706 181 H LYS 27 H LYS 27 18.004 -18.314 -16.520 182 HA LYS 27 HA LYS 27 18.846 -15.837 -15.339 183 HB2 LYS 27 2HB LYS 27 17.830 -16.725 -17.985 184 HB3 LYS 27 3HB LYS 27 17.591 -15.032 -17.571 185 HG2 LYS 27 2HG LYS 27 20.156 -15.213 -16.933 186 HG3 LYS 27 3HG LYS 27 20.094 -16.520 -18.118 187 HD2 LYS 27 2HD LYS 27 18.900 -13.851 -18.758 188 HD3 LYS 27 3HD LYS 27 20.642 -14.100 -18.899 189 HE2 LYS 27 2HE LYS 27 20.197 -16.031 -20.386 190 HE3 LYS 27 3HE LYS 27 18.475 -15.661 -20.302 191 HZ1 LYS 27 3HZ LYS 27 20.486 -13.701 -21.246 192 HZ2 LYS 27 1HZ LYS 27 18.804 -13.632 -21.419 193 HZ3 LYS 27 2HZ LYS 27 19.697 -14.773 -22.291 194 H SER 28 H SER 28 15.771 -17.397 -16.054 195 HA SER 28 HA SER 28 14.076 -15.221 -15.561 196 HB2 SER 28 2HB SER 28 13.530 -17.556 -16.543 197 HB3 SER 28 3HB SER 28 13.319 -18.049 -14.863 198 HG SER 28 HG SER 28 11.704 -16.502 -14.649 199 H PHE 29 H PHE 29 15.689 -17.444 -13.401 200 HA PHE 29 HA PHE 29 14.184 -16.727 -11.076 201 HB2 PHE 29 2HB PHE 29 15.260 -18.885 -11.141 202 HB3 PHE 29 3HB PHE 29 16.834 -18.141 -11.406 203 HD1 PHE 29 HD1 PHE 29 17.948 -16.921 -9.580 204 HD2 PHE 29 HD2 PHE 29 14.323 -19.065 -8.966 205 HE1 PHE 29 HE1 PHE 29 18.334 -16.870 -7.150 206 HE2 PHE 29 HE2 PHE 29 14.702 -19.017 -6.536 207 HZ PHE 29 HZ PHE 29 16.709 -17.917 -5.625 208 H PHE 30 H PHE 30 16.871 -15.385 -12.755 209 HA PHE 30 HA PHE 30 17.845 -13.856 -10.505 210 HB2 PHE 30 2HB PHE 30 18.549 -13.849 -13.442 211 HB3 PHE 30 3HB PHE 30 19.304 -12.780 -12.265 212 HD1 PHE 30 HD2 PHE 30 19.568 -14.626 -9.962 213 HD2 PHE 30 HD1 PHE 30 20.296 -15.229 -14.112 214 HE1 PHE 30 HE2 PHE 30 21.203 -16.381 -9.416 215 HE2 PHE 30 HE1 PHE 30 21.932 -16.986 -13.573 216 HZ PHE 30 HZ PHE 30 22.388 -17.564 -11.222 217 H SER 31 H SER 31 15.734 -13.388 -13.251 218 HA SER 31 HA SER 31 15.436 -10.546 -12.591 219 HB2 SER 31 2HB SER 31 15.857 -11.073 -14.952 220 HB3 SER 31 3HB SER 31 14.430 -12.109 -14.983 221 HG SER 31 HG SER 31 14.140 -9.909 -15.790 222 H THR 32 H THR 32 14.292 -12.968 -11.144 223 HA THR 32 HA THR 32 11.540 -13.162 -11.512 224 HB THR 32 HB THR 32 12.838 -13.298 -8.795 225 HG1 THR 32 HG1 THR 32 12.706 -15.489 -10.585 226 HG21 THR 32 3HG2 THR 32 11.125 -15.387 -8.984 227 HG22 THR 32 1HG2 THR 32 10.317 -14.211 -10.020 228 HG23 THR 32 2HG2 THR 32 10.682 -13.805 -8.343 229 H VAL 33 H VAL 33 9.805 -12.323 -10.140 230 HA VAL 33 HA VAL 33 9.547 -9.599 -10.174 231 HB VAL 33 HB VAL 33 7.604 -10.945 -9.834 232 HG11 VAL 33 1HG1 VAL 33 7.198 -12.168 -7.735 233 HG12 VAL 33 2HG1 VAL 33 8.599 -12.786 -8.611 234 HG13 VAL 33 3HG1 VAL 33 8.826 -11.755 -7.198 235 HG21 VAL 33 3HG2 VAL 33 7.979 -8.618 -8.586 236 HG22 VAL 33 1HG2 VAL 33 6.475 -9.530 -8.462 237 HG23 VAL 33 2HG2 VAL 33 7.679 -9.635 -7.178 238 H GLY 34 H GLY 34 10.931 -11.598 -7.628 239 HA2 GLY 34 2HA GLY 34 12.783 -10.414 -6.418 240 HA3 GLY 34 3HA GLY 34 11.615 -9.127 -6.158 241 H LEU 35 H LEU 35 9.376 -10.811 -5.590 242 HA LEU 35 HA LEU 35 9.518 -11.035 -2.851 243 HB2 LEU 35 2HB LEU 35 7.638 -11.593 -4.845 244 HB3 LEU 35 3HB LEU 35 7.799 -13.086 -3.922 245 HG LEU 35 HG LEU 35 6.929 -10.382 -2.924 246 HD11 LEU 35 1HD1 LEU 35 5.622 -12.975 -3.505 247 HD12 LEU 35 2HD1 LEU 35 5.011 -11.330 -3.676 248 HD13 LEU 35 3HD1 LEU 35 5.069 -12.087 -2.085 249 HD21 LEU 35 3HD2 LEU 35 6.634 -11.992 -0.789 250 HD22 LEU 35 1HD2 LEU 35 8.039 -10.959 -1.047 251 HD23 LEU 35 2HD2 LEU 35 8.109 -12.667 -1.482 252 H SER 36 H SER 36 9.774 -13.730 -5.176 253 HA SER 36 HA SER 36 10.446 -15.682 -3.265 254 HB2 SER 36 2HB SER 36 9.628 -16.137 -5.594 255 HB3 SER 36 3HB SER 36 11.225 -15.681 -6.189 256 HG SER 36 HG SER 36 11.383 -17.825 -5.939 257 H SER 37 H SER 37 12.257 -13.121 -4.571 258 HA SER 37 HA SER 37 14.764 -14.353 -3.630 259 HB2 SER 37 2HB SER 37 14.690 -13.837 -6.079 260 HB3 SER 37 3HB SER 37 14.492 -12.133 -5.669 261 HG SER 37 HG SER 37 16.720 -13.071 -6.076 262 H LYS 38 H LYS 38 12.795 -12.937 -2.021 263 HA LYS 38 HA LYS 38 14.270 -10.491 -1.322 264 HB2 LYS 38 2HB LYS 38 11.424 -11.340 -1.026 265 HB3 LYS 38 3HB LYS 38 12.087 -10.223 0.159 266 HG2 LYS 38 2HG LYS 38 12.626 -9.522 -2.640 267 HG3 LYS 38 3HG LYS 38 10.925 -9.485 -2.167 268 HD2 LYS 38 2HD LYS 38 11.332 -7.895 -0.468 269 HD3 LYS 38 3HD LYS 38 13.079 -8.139 -0.553 270 HE2 LYS 38 2HE LYS 38 13.062 -7.198 -2.836 271 HE3 LYS 38 3HE LYS 38 11.333 -6.891 -2.674 272 HZ1 LYS 38 3HZ LYS 38 12.343 -4.879 -2.138 273 HZ2 LYS 38 1HZ LYS 38 13.568 -5.610 -1.229 274 HZ3 LYS 38 2HZ LYS 38 11.988 -5.554 -0.628 275 H THR 39 H THR 39 13.854 -10.031 1.195 276 HA THR 39 HA THR 39 15.204 -12.219 2.552 277 HB THR 39 HB THR 39 15.345 -9.425 2.756 278 HG1 THR 39 HG1 THR 39 16.798 -10.181 4.615 279 HG21 THR 39 3HG2 THR 39 14.879 -8.954 5.081 280 HG22 THR 39 1HG2 THR 39 14.357 -10.617 5.349 281 HG23 THR 39 2HG2 THR 39 13.411 -9.553 4.308 282 HA PRO 40 HA PRO 40 11.751 -13.736 4.801 283 HB2 PRO 40 2HB PRO 40 12.913 -14.424 7.157 284 HB3 PRO 40 3HB PRO 40 13.162 -15.332 5.661 285 HG2 PRO 40 2HG PRO 40 14.920 -13.276 6.944 286 HG3 PRO 40 3HG PRO 40 15.367 -14.821 6.198 287 HD2 PRO 40 2HD PRO 40 15.642 -12.451 4.917 288 HD3 PRO 40 3HD PRO 40 15.269 -13.962 4.061 289 H ASP 41 H ASP 41 10.941 -11.417 4.828 290 HA ASP 41 HA ASP 41 9.969 -10.775 7.368 291 HB2 ASP 41 2HB ASP 41 12.580 -9.919 7.127 292 HB3 ASP 41 3HB ASP 41 11.659 -8.479 6.703 293 H GLN 42 H GLN 42 10.967 -9.365 4.271 294 HA GLN 42 HA GLN 42 8.794 -7.490 4.225 295 HB2 GLN 42 2HB GLN 42 10.473 -8.336 1.870 296 HB3 GLN 42 3HB GLN 42 9.618 -6.816 2.098 297 HG2 GLN 42 2HG GLN 42 11.155 -6.112 3.771 298 HG3 GLN 42 3HG GLN 42 11.915 -7.702 3.822 299 HE21 GLN 42 1HE2 GLN 42 11.637 -4.709 2.112 300 HE22 GLN 42 2HE2 GLN 42 12.953 -4.965 1.023 301 H ILE 43 H ILE 43 9.324 -10.739 3.133 302 HA ILE 43 HA ILE 43 7.418 -10.978 1.126 303 HB ILE 43 HB ILE 43 8.227 -13.032 3.187 304 HG12 ILE 43 2HG1 ILE 43 9.172 -12.614 0.344 305 HG13 ILE 43 3HG1 ILE 43 10.066 -12.130 1.781 306 HG21 ILE 43 1HG2 ILE 43 7.458 -14.293 0.813 307 HG22 ILE 43 2HG2 ILE 43 6.616 -14.317 2.362 308 HG23 ILE 43 3HG2 ILE 43 6.200 -13.104 1.151 309 HD11 ILE 43 3HD1 ILE 43 10.661 -14.342 0.601 310 HD12 ILE 43 1HD1 ILE 43 10.562 -14.307 2.361 311 HD13 ILE 43 2HD1 ILE 43 9.230 -14.971 1.415 312 H LYS 44 H LYS 44 7.023 -11.529 4.623 313 HA LYS 44 HA LYS 44 4.328 -12.206 4.618 314 HB2 LYS 44 2HB LYS 44 4.356 -11.867 6.930 315 HB3 LYS 44 3HB LYS 44 6.034 -12.234 6.551 316 HG2 LYS 44 2HG LYS 44 6.329 -9.678 6.407 317 HG3 LYS 44 3HG LYS 44 4.798 -9.611 7.283 318 HD2 LYS 44 2HD LYS 44 6.311 -11.504 8.650 319 HD3 LYS 44 3HD LYS 44 7.456 -10.222 8.250 320 HE2 LYS 44 2HE LYS 44 6.661 -9.323 10.166 321 HE3 LYS 44 3HE LYS 44 5.395 -8.729 9.092 322 HZ1 LYS 44 3HZ LYS 44 3.988 -10.535 9.729 323 HZ2 LYS 44 1HZ LYS 44 4.549 -9.789 11.140 324 HZ3 LYS 44 2HZ LYS 44 5.219 -11.258 10.636 325 H LYS 45 H LYS 45 5.870 -9.060 4.481 326 HA LYS 45 HA LYS 45 3.535 -7.522 4.975 327 HB2 LYS 45 2HB LYS 45 6.281 -6.988 3.965 328 HB3 LYS 45 3HB LYS 45 5.043 -5.793 3.597 329 HG2 LYS 45 2HG LYS 45 5.257 -6.738 6.400 330 HG3 LYS 45 3HG LYS 45 6.520 -5.668 5.787 331 HD2 LYS 45 2HD LYS 45 3.573 -5.065 5.583 332 HD3 LYS 45 3HD LYS 45 4.596 -4.510 6.911 333 HE2 LYS 45 2HE LYS 45 6.096 -3.590 4.980 334 HE3 LYS 45 3HE LYS 45 4.616 -3.712 4.031 335 HZ1 LYS 45 3HZ LYS 45 4.321 -1.641 4.838 336 HZ2 LYS 45 1HZ LYS 45 5.281 -1.898 6.207 337 HZ3 LYS 45 2HZ LYS 45 3.689 -2.468 6.172 338 H VAL 46 H VAL 46 4.694 -9.230 2.238 339 HA VAL 46 HA VAL 46 3.154 -7.692 0.320 340 HB VAL 46 HB VAL 46 4.695 -10.267 -0.039 341 HG11 VAL 46 1HG1 VAL 46 3.370 -8.434 -2.029 342 HG12 VAL 46 2HG1 VAL 46 4.546 -9.676 -2.465 343 HG13 VAL 46 3HG1 VAL 46 3.011 -10.133 -1.726 344 HG21 VAL 46 3HG2 VAL 46 6.052 -8.272 0.587 345 HG22 VAL 46 1HG2 VAL 46 6.433 -8.928 -1.005 346 HG23 VAL 46 2HG2 VAL 46 5.454 -7.468 -0.864 347 H PHE 47 H PHE 47 2.729 -10.430 2.348 348 HA PHE 47 HA PHE 47 0.604 -11.609 0.793 349 HB2 PHE 47 2HB PHE 47 1.516 -13.311 1.990 350 HB3 PHE 47 3HB PHE 47 2.046 -12.248 3.290 351 HD1 PHE 47 HD2 PHE 47 -0.871 -14.047 1.911 352 HD2 PHE 47 HD1 PHE 47 0.789 -12.016 5.263 353 HE1 PHE 47 HE2 PHE 47 -2.737 -14.834 3.307 354 HE2 PHE 47 HE1 PHE 47 -1.074 -12.801 6.665 355 HZ PHE 47 HZ PHE 47 -2.841 -14.211 5.687 356 H GLY 48 H GLY 48 0.917 -9.213 3.256 357 HA2 GLY 48 2HA GLY 48 -1.750 -9.369 4.269 358 HA3 GLY 48 3HA GLY 48 -0.628 -8.035 4.495 359 H ILE 49 H ILE 49 -0.595 -8.372 1.301 360 HA ILE 49 HA ILE 49 -2.650 -6.320 0.940 361 HB ILE 49 HB ILE 49 -0.581 -7.197 -1.070 362 HG12 ILE 49 2HG1 ILE 49 -0.418 -4.894 0.886 363 HG13 ILE 49 3HG1 ILE 49 0.479 -6.402 1.033 364 HG21 ILE 49 1HG2 ILE 49 -2.778 -5.345 -1.107 365 HG22 ILE 49 2HG2 ILE 49 -1.255 -4.498 -1.373 366 HG23 ILE 49 3HG2 ILE 49 -1.710 -5.842 -2.420 367 HD11 ILE 49 3HD1 ILE 49 0.889 -5.236 -1.559 368 HD12 ILE 49 1HD1 ILE 49 1.265 -4.078 -0.284 369 HD13 ILE 49 2HD1 ILE 49 2.064 -5.651 -0.312 370 H LEU 50 H LEU 50 -2.237 -9.621 0.517 371 HA LEU 50 HA LEU 50 -3.898 -9.859 -1.846 372 HB2 LEU 50 2HB LEU 50 -3.300 -12.214 -0.152 373 HB3 LEU 50 3HB LEU 50 -3.301 -12.054 -1.907 374 HG LEU 50 HG LEU 50 -1.129 -11.121 -0.032 375 HD11 LEU 50 1HD1 LEU 50 -1.320 -13.426 -1.958 376 HD12 LEU 50 2HD1 LEU 50 -1.072 -13.493 -0.213 377 HD13 LEU 50 3HD1 LEU 50 0.195 -12.853 -1.260 378 HD21 LEU 50 3HD2 LEU 50 -0.292 -11.182 -2.730 379 HD22 LEU 50 1HD2 LEU 50 -0.436 -9.786 -1.661 380 HD23 LEU 50 2HD2 LEU 50 -1.801 -10.270 -2.668 381 H ASP 51 H ASP 51 -4.125 -10.833 1.574 382 HA ASP 51 HA ASP 51 -6.602 -11.934 1.680 383 HB2 ASP 51 2HB ASP 51 -4.847 -11.206 3.565 384 HB3 ASP 51 3HB ASP 51 -6.028 -9.920 3.793 385 H GLN 52 H GLN 52 -8.724 -11.151 2.156 386 HA GLN 52 HA GLN 52 -9.462 -8.908 0.559 387 HB2 GLN 52 2HB GLN 52 -11.757 -9.392 1.356 388 HB3 GLN 52 3HB GLN 52 -10.943 -10.813 0.714 389 HG2 GLN 52 2HG GLN 52 -10.378 -11.441 3.070 390 HG3 GLN 52 3HG GLN 52 -11.425 -10.125 3.599 391 HE21 GLN 52 1HE2 GLN 52 -11.978 -12.620 4.438 392 HE22 GLN 52 2HE2 GLN 52 -13.394 -13.227 3.655 393 H ASP 53 H ASP 53 -9.449 -9.539 4.052 394 HA ASP 53 HA ASP 53 -9.223 -6.675 4.534 395 HB2 ASP 53 2HB ASP 53 -11.705 -7.571 4.606 396 HB3 ASP 53 3HB ASP 53 -11.221 -8.150 6.198 397 H LYS 54 H LYS 54 -7.686 -9.286 4.855 398 HA LYS 54 HA LYS 54 -6.279 -10.278 6.348 399 HB2 LYS 54 2HB LYS 54 -6.388 -7.520 7.582 400 HB3 LYS 54 3HB LYS 54 -5.183 -8.745 7.954 401 HG2 LYS 54 2HG LYS 54 -5.591 -7.761 5.154 402 HG3 LYS 54 3HG LYS 54 -4.560 -6.900 6.298 403 HD2 LYS 54 2HD LYS 54 -4.161 -9.830 5.958 404 HD3 LYS 54 3HD LYS 54 -3.586 -8.752 4.685 405 HE2 LYS 54 2HE LYS 54 -2.030 -7.748 6.054 406 HE3 LYS 54 3HE LYS 54 -2.920 -8.135 7.526 407 HZ1 LYS 54 3HZ LYS 54 -2.274 -10.569 6.511 408 HZ2 LYS 54 1HZ LYS 54 -1.456 -9.775 7.761 409 HZ3 LYS 54 2HZ LYS 54 -0.898 -9.646 6.169 410 H SER 55 H SER 55 -8.724 -11.127 6.871 411 HA SER 55 HA SER 55 -9.594 -10.585 9.546 412 HB2 SER 55 2HB SER 55 -11.084 -12.613 9.112 413 HB3 SER 55 3HB SER 55 -11.294 -11.242 8.023 414 HG SER 55 HG SER 55 -10.411 -13.783 7.498 415 H GLY 56 H GLY 56 -7.018 -12.288 8.362 416 HA2 GLY 56 2HA GLY 56 -5.734 -13.189 10.409 417 HA3 GLY 56 3HA GLY 56 -7.096 -14.296 10.513 418 H PHE 57 H PHE 57 -7.573 -15.340 8.235 419 HA PHE 57 HA PHE 57 -5.010 -16.158 7.043 420 HB2 PHE 57 2HB PHE 57 -7.320 -17.987 7.733 421 HB3 PHE 57 3HB PHE 57 -5.842 -18.469 6.906 422 HD1 PHE 57 HD2 PHE 57 -7.294 -17.419 10.104 423 HD2 PHE 57 HD1 PHE 57 -3.792 -18.779 8.104 424 HE1 PHE 57 HE2 PHE 57 -6.234 -17.873 12.277 425 HE2 PHE 57 HE1 PHE 57 -2.726 -19.237 10.275 426 HZ PHE 57 HZ PHE 57 -3.947 -18.782 12.365 427 H ILE 58 H ILE 58 -5.358 -17.326 4.918 428 HA ILE 58 HA ILE 58 -7.580 -16.065 3.448 429 HB ILE 58 HB ILE 58 -4.726 -16.515 2.614 430 HG12 ILE 58 2HG1 ILE 58 -6.556 -14.105 2.580 431 HG13 ILE 58 3HG1 ILE 58 -5.235 -14.391 3.707 432 HG21 ILE 58 1HG2 ILE 58 -5.951 -17.378 0.779 433 HG22 ILE 58 2HG2 ILE 58 -7.131 -16.071 0.863 434 HG23 ILE 58 3HG2 ILE 58 -5.481 -15.736 0.338 435 HD11 ILE 58 3HD1 ILE 58 -5.105 -13.716 0.796 436 HD12 ILE 58 1HD1 ILE 58 -4.372 -12.882 2.165 437 HD13 ILE 58 2HD1 ILE 58 -3.736 -14.440 1.638 438 H GLU 59 H GLU 59 -9.035 -17.660 3.201 439 HA GLU 59 HA GLU 59 -8.266 -20.392 2.755 440 HB2 GLU 59 2HB GLU 59 -11.024 -19.243 2.371 441 HB3 GLU 59 3HB GLU 59 -10.584 -20.896 2.779 442 HG2 GLU 59 2HG GLU 59 -9.729 -20.071 4.957 443 HG3 GLU 59 3HG GLU 59 -10.346 -18.472 4.544 444 H GLU 60 H GLU 60 -9.398 -21.597 0.890 445 HA GLU 60 HA GLU 60 -8.248 -20.871 -1.512 446 HB2 GLU 60 2HB GLU 60 -9.244 -23.120 -0.847 447 HB3 GLU 60 3HB GLU 60 -10.803 -22.460 -1.320 448 HG2 GLU 60 2HG GLU 60 -8.626 -22.227 -3.297 449 HG3 GLU 60 3HG GLU 60 -9.227 -23.851 -2.969 450 H GLU 61 H GLU 61 -11.185 -19.751 -0.080 451 HA GLU 61 HA GLU 61 -12.511 -18.838 -2.394 452 HB2 GLU 61 2HB GLU 61 -12.675 -17.613 0.360 453 HB3 GLU 61 3HB GLU 61 -13.886 -17.539 -0.912 454 HG2 GLU 61 2HG GLU 61 -13.057 -19.950 0.679 455 HG3 GLU 61 3HG GLU 61 -14.606 -19.111 0.727 456 H GLU 62 H GLU 62 -10.332 -17.184 -0.125 457 HA GLU 62 HA GLU 62 -10.291 -14.814 -1.806 458 HB2 GLU 62 2HB GLU 62 -9.584 -15.465 0.949 459 HB3 GLU 62 3HB GLU 62 -8.374 -14.462 0.161 460 HG2 GLU 62 2HG GLU 62 -9.862 -12.981 1.210 461 HG3 GLU 62 3HG GLU 62 -10.255 -12.924 -0.507 462 H LEU 63 H LEU 63 -8.679 -17.730 -1.696 463 HA LEU 63 HA LEU 63 -6.053 -16.806 -2.405 464 HB2 LEU 63 2HB LEU 63 -6.841 -19.060 -1.312 465 HB3 LEU 63 3HB LEU 63 -7.005 -19.570 -2.991 466 HG LEU 63 HG LEU 63 -4.593 -18.973 -3.316 467 HD11 LEU 63 1HD1 LEU 63 -4.938 -17.905 -0.699 468 HD12 LEU 63 2HD1 LEU 63 -3.521 -17.837 -1.746 469 HD13 LEU 63 3HD1 LEU 63 -3.731 -19.190 -0.635 470 HD21 LEU 63 3HD2 LEU 63 -4.080 -21.109 -2.899 471 HD22 LEU 63 1HD2 LEU 63 -5.747 -21.261 -2.344 472 HD23 LEU 63 2HD2 LEU 63 -4.455 -20.960 -1.182 473 H GLN 64 H GLN 64 -8.969 -17.642 -4.090 474 HA GLN 64 HA GLN 64 -7.825 -18.097 -6.646 475 HB2 GLN 64 2HB GLN 64 -10.031 -18.096 -7.480 476 HB3 GLN 64 3HB GLN 64 -10.156 -18.750 -5.852 477 HG2 GLN 64 2HG GLN 64 -10.802 -16.463 -5.076 478 HG3 GLN 64 3HG GLN 64 -10.873 -15.980 -6.770 479 HE21 GLN 64 1HE2 GLN 64 -12.040 -18.063 -7.987 480 HE22 GLN 64 2HE2 GLN 64 -13.635 -18.320 -7.375 481 H LEU 65 H LEU 65 -7.899 -15.350 -4.821 482 HA LEU 65 HA LEU 65 -8.111 -13.554 -7.133 483 HB2 LEU 65 2HB LEU 65 -7.822 -12.626 -4.307 484 HB3 LEU 65 3HB LEU 65 -8.577 -11.811 -5.675 485 HG LEU 65 HG LEU 65 -9.747 -14.241 -4.330 486 HD11 LEU 65 1HD1 LEU 65 -11.265 -12.711 -3.197 487 HD12 LEU 65 2HD1 LEU 65 -10.402 -11.332 -3.877 488 HD13 LEU 65 3HD1 LEU 65 -9.593 -12.400 -2.730 489 HD21 LEU 65 3HD2 LEU 65 -11.445 -12.322 -5.755 490 HD22 LEU 65 1HD2 LEU 65 -11.448 -14.085 -5.783 491 HD23 LEU 65 2HD2 LEU 65 -10.298 -13.190 -6.777 492 H PHE 66 H PHE 66 -5.795 -15.342 -6.175 493 HA PHE 66 HA PHE 66 -3.696 -13.657 -5.329 494 HB2 PHE 66 2HB PHE 66 -3.573 -16.083 -5.083 495 HB3 PHE 66 3HB PHE 66 -3.590 -16.281 -6.832 496 HD1 PHE 66 HD1 PHE 66 -1.614 -14.972 -3.998 497 HD2 PHE 66 HD2 PHE 66 -1.612 -16.130 -8.094 498 HE1 PHE 66 HE1 PHE 66 0.843 -14.841 -4.030 499 HE2 PHE 66 HE2 PHE 66 0.845 -16.002 -8.132 500 HZ PHE 66 HZ PHE 66 2.075 -15.357 -6.098 501 H LEU 67 H LEU 67 -5.077 -14.321 -8.444 502 HA LEU 67 HA LEU 67 -2.861 -13.231 -9.933 503 HB2 LEU 67 2HB LEU 67 -5.526 -14.368 -10.566 504 HB3 LEU 67 3HB LEU 67 -4.814 -13.267 -11.744 505 HG LEU 67 HG LEU 67 -3.473 -15.771 -10.730 506 HD11 LEU 67 1HD1 LEU 67 -5.661 -15.586 -12.453 507 HD12 LEU 67 2HD1 LEU 67 -4.602 -16.975 -12.212 508 HD13 LEU 67 3HD1 LEU 67 -4.258 -15.818 -13.497 509 HD21 LEU 67 3HD2 LEU 67 -2.239 -15.292 -12.996 510 HD22 LEU 67 1HD2 LEU 67 -1.748 -14.479 -11.510 511 HD23 LEU 67 2HD2 LEU 67 -2.761 -13.636 -12.683 512 H LYS 68 H LYS 68 -5.093 -11.838 -8.006 513 HA LYS 68 HA LYS 68 -5.600 -9.513 -9.699 514 HB2 LYS 68 2HB LYS 68 -6.503 -9.970 -6.854 515 HB3 LYS 68 3HB LYS 68 -7.128 -8.785 -7.993 516 HG2 LYS 68 2HG LYS 68 -7.347 -11.765 -8.355 517 HG3 LYS 68 3HG LYS 68 -8.608 -10.743 -7.661 518 HD2 LYS 68 2HD LYS 68 -7.721 -9.614 -10.137 519 HD3 LYS 68 3HD LYS 68 -8.132 -11.313 -10.382 520 HE2 LYS 68 2HE LYS 68 -10.222 -10.507 -10.618 521 HE3 LYS 68 3HE LYS 68 -10.213 -10.520 -8.855 522 HZ1 LYS 68 3HZ LYS 68 -10.836 -8.378 -10.250 523 HZ2 LYS 68 1HZ LYS 68 -9.163 -8.137 -10.169 524 HZ3 LYS 68 2HZ LYS 68 -10.067 -8.279 -8.746 525 H ASN 69 H ASN 69 -3.436 -10.576 -7.285 526 HA ASN 69 HA ASN 69 -2.755 -7.938 -6.322 527 HB2 ASN 69 2HB ASN 69 -1.000 -10.311 -5.853 528 HB3 ASN 69 3HB ASN 69 -1.416 -8.992 -4.761 529 HD21 ASN 69 1HD2 ASN 69 -1.545 -12.008 -4.610 530 HD22 ASN 69 2HD2 ASN 69 -3.147 -12.331 -4.049 531 H PHE 70 H PHE 70 -1.801 -10.032 -8.871 532 HA PHE 70 HA PHE 70 0.630 -8.448 -9.349 533 HB2 PHE 70 2HB PHE 70 -0.197 -11.163 -10.391 534 HB3 PHE 70 3HB PHE 70 1.244 -10.301 -10.923 535 HD1 PHE 70 HD2 PHE 70 -0.401 -11.721 -7.916 536 HD2 PHE 70 HD1 PHE 70 3.241 -10.496 -9.746 537 HE1 PHE 70 HE2 PHE 70 0.863 -12.692 -6.042 538 HE2 PHE 70 HE1 PHE 70 4.511 -11.466 -7.876 539 HZ PHE 70 HZ PHE 70 3.322 -12.565 -6.019 540 H SER 71 H SER 71 -2.070 -9.941 -11.134 541 HA SER 71 HA SER 71 -1.810 -7.797 -13.138 542 HB2 SER 71 2HB SER 71 -1.586 -10.402 -13.681 543 HB3 SER 71 3HB SER 71 -3.343 -10.274 -13.764 544 HG SER 71 HG SER 71 -2.060 -9.860 -15.760 545 H SER 72 H SER 72 -3.847 -7.120 -14.176 546 HA SER 72 HA SER 72 -6.085 -7.186 -12.258 547 HB2 SER 72 2HB SER 72 -5.668 -4.950 -14.224 548 HB3 SER 72 3HB SER 72 -6.576 -4.940 -12.712 549 HG SER 72 HG SER 72 -4.816 -4.138 -11.900 550 H SER 73 H SER 73 -5.258 -8.685 -14.881 551 HA SER 73 HA SER 73 -7.787 -8.266 -16.327 552 HB2 SER 73 2HB SER 73 -5.589 -8.011 -17.574 553 HB3 SER 73 3HB SER 73 -5.359 -9.745 -17.351 554 HG SER 73 HG SER 73 -7.667 -9.729 -18.309 555 H ALA 74 H ALA 74 -5.689 -10.714 -14.900 556 HA ALA 74 HA ALA 74 -7.272 -12.955 -15.603 557 HB1 ALA 74 1HB ALA 74 -5.116 -13.536 -15.032 558 HB2 ALA 74 2HB ALA 74 -5.084 -12.465 -13.631 559 HB3 ALA 74 3HB ALA 74 -5.999 -13.971 -13.569 560 H ARG 75 H ARG 75 -9.342 -13.112 -15.012 561 HA ARG 75 HA ARG 75 -10.686 -11.856 -13.003 562 HB2 ARG 75 2HB ARG 75 -12.076 -14.140 -13.014 563 HB3 ARG 75 3HB ARG 75 -12.158 -12.975 -14.329 564 HG2 ARG 75 2HG ARG 75 -11.076 -14.326 -15.779 565 HG3 ARG 75 3HG ARG 75 -10.046 -15.026 -14.528 566 HD2 ARG 75 2HD ARG 75 -12.414 -16.007 -13.749 567 HD3 ARG 75 3HD ARG 75 -12.722 -15.855 -15.478 568 HE ARG 75 HE ARG 75 -10.241 -17.127 -15.054 569 HH11 ARG 75 1HH1 ARG 75 -13.665 -17.693 -14.785 570 HH12 ARG 75 2HH1 ARG 75 -13.534 -19.403 -15.027 571 HH21 ARG 75 1HH2 ARG 75 -10.055 -19.378 -15.373 572 HH22 ARG 75 2HH2 ARG 75 -11.479 -20.361 -15.360 573 H VAL 76 H VAL 76 -9.945 -15.317 -12.661 574 HA VAL 76 HA VAL 76 -8.760 -14.908 -10.054 575 HB VAL 76 HB VAL 76 -10.402 -16.599 -9.031 576 HG11 VAL 76 1HG1 VAL 76 -10.202 -14.127 -8.530 577 HG12 VAL 76 2HG1 VAL 76 -11.563 -13.889 -9.628 578 HG13 VAL 76 3HG1 VAL 76 -11.762 -14.868 -8.174 579 HG21 VAL 76 3HG2 VAL 76 -12.099 -15.584 -11.310 580 HG22 VAL 76 1HG2 VAL 76 -11.512 -17.235 -11.111 581 HG23 VAL 76 2HG2 VAL 76 -12.665 -16.565 -9.957 582 H LEU 77 H LEU 77 -7.958 -16.931 -9.112 583 HA LEU 77 HA LEU 77 -6.498 -18.464 -10.877 584 HB2 LEU 77 2HB LEU 77 -7.490 -19.313 -8.160 585 HB3 LEU 77 3HB LEU 77 -6.130 -20.015 -9.034 586 HG LEU 77 HG LEU 77 -6.317 -17.363 -7.650 587 HD11 LEU 77 1HD1 LEU 77 -4.014 -18.231 -6.892 588 HD12 LEU 77 2HD1 LEU 77 -4.569 -19.789 -7.504 589 HD13 LEU 77 3HD1 LEU 77 -5.463 -18.978 -6.218 590 HD21 LEU 77 3HD2 LEU 77 -4.311 -18.165 -9.755 591 HD22 LEU 77 1HD2 LEU 77 -4.153 -16.776 -8.680 592 HD23 LEU 77 2HD2 LEU 77 -5.470 -16.838 -9.851 593 H THR 78 H THR 78 -6.646 -20.878 -11.160 594 HA THR 78 HA THR 78 -9.438 -21.740 -11.534 595 HB THR 78 HB THR 78 -8.303 -21.028 -13.691 596 HG1 THR 78 HG1 THR 78 -9.745 -22.354 -14.470 597 HG21 THR 78 3HG2 THR 78 -6.118 -22.222 -12.906 598 HG22 THR 78 1HG2 THR 78 -6.565 -22.249 -14.611 599 HG23 THR 78 2HG2 THR 78 -6.878 -23.656 -13.595 600 H SER 79 H SER 79 -8.994 -24.260 -12.508 601 HA SER 79 HA SER 79 -8.247 -25.660 -10.128 602 HB2 SER 79 2HB SER 79 -10.039 -26.264 -11.952 603 HB3 SER 79 3HB SER 79 -8.676 -27.052 -12.748 604 HG SER 79 HG SER 79 -8.459 -28.414 -11.043 605 H ALA 80 H ALA 80 -6.008 -24.500 -10.444 606 HA ALA 80 HA ALA 80 -4.080 -26.480 -10.804 607 HB1 ALA 80 1HB ALA 80 -3.309 -24.778 -12.957 608 HB2 ALA 80 2HB ALA 80 -3.609 -26.517 -12.970 609 HB3 ALA 80 3HB ALA 80 -4.934 -25.391 -13.266 610 H GLU 81 H GLU 81 -4.789 -23.032 -11.000 611 HA GLU 81 HA GLU 81 -2.153 -22.267 -10.112 612 HB2 GLU 81 2HB GLU 81 -4.665 -20.603 -10.371 613 HB3 GLU 81 3HB GLU 81 -3.037 -19.985 -10.129 614 HG2 GLU 81 2HG GLU 81 -2.487 -21.235 -12.319 615 HG3 GLU 81 3HG GLU 81 -4.233 -21.244 -12.559 616 H THR 82 H THR 82 -5.427 -22.249 -8.732 617 HA THR 82 HA THR 82 -4.635 -21.267 -6.191 618 HB THR 82 HB THR 82 -7.023 -22.947 -6.142 619 HG1 THR 82 HG1 THR 82 -8.188 -21.623 -7.620 620 HG21 THR 82 3HG2 THR 82 -7.216 -20.015 -5.921 621 HG22 THR 82 1HG2 THR 82 -6.113 -20.788 -4.784 622 HG23 THR 82 2HG2 THR 82 -7.807 -21.275 -4.839 623 H LYS 83 H LYS 83 -4.941 -24.483 -7.563 624 HA LYS 83 HA LYS 83 -4.664 -25.876 -5.086 625 HB2 LYS 83 2HB LYS 83 -4.149 -26.884 -7.889 626 HB3 LYS 83 3HB LYS 83 -4.408 -27.871 -6.457 627 HG2 LYS 83 2HG LYS 83 -6.665 -26.425 -6.415 628 HG3 LYS 83 3HG LYS 83 -6.348 -26.439 -8.151 629 HD2 LYS 83 2HD LYS 83 -6.390 -28.803 -8.235 630 HD3 LYS 83 3HD LYS 83 -6.319 -28.939 -6.476 631 HE2 LYS 83 2HE LYS 83 -8.538 -28.201 -6.226 632 HE3 LYS 83 3HE LYS 83 -8.606 -27.585 -7.876 633 HZ1 LYS 83 3HZ LYS 83 -9.507 -29.514 -8.440 634 HZ2 LYS 83 1HZ LYS 83 -9.226 -30.179 -6.910 635 HZ3 LYS 83 2HZ LYS 83 -8.031 -30.269 -8.104 636 H ALA 84 H ALA 84 -2.445 -25.133 -7.760 637 HA ALA 84 HA ALA 84 -0.185 -26.374 -6.574 638 HB1 ALA 84 1HB ALA 84 -0.017 -24.138 -8.565 639 HB2 ALA 84 2HB ALA 84 1.057 -25.522 -8.359 640 HB3 ALA 84 3HB ALA 84 -0.558 -25.751 -9.031 641 H PHE 85 H PHE 85 -1.839 -23.571 -5.778 642 HA PHE 85 HA PHE 85 0.539 -22.292 -4.624 643 HB2 PHE 85 2HB PHE 85 -1.002 -20.934 -6.073 644 HB3 PHE 85 3HB PHE 85 -2.251 -21.151 -4.851 645 HD1 PHE 85 HD1 PHE 85 1.134 -19.760 -5.417 646 HD2 PHE 85 HD2 PHE 85 -2.355 -19.755 -2.980 647 HE1 PHE 85 HE1 PHE 85 1.987 -17.796 -4.207 648 HE2 PHE 85 HE2 PHE 85 -1.508 -17.790 -1.766 649 HZ PHE 85 HZ PHE 85 0.665 -16.807 -2.379 650 H LEU 86 H LEU 86 -2.773 -23.264 -3.775 651 HA LEU 86 HA LEU 86 -2.532 -22.702 -1.015 652 HB2 LEU 86 2HB LEU 86 -4.625 -23.148 -2.509 653 HB3 LEU 86 3HB LEU 86 -4.350 -24.830 -2.058 654 HG LEU 86 HG LEU 86 -4.547 -22.774 0.094 655 HD11 LEU 86 1HD1 LEU 86 -7.100 -23.986 -0.473 656 HD12 LEU 86 2HD1 LEU 86 -6.541 -23.016 -1.835 657 HD13 LEU 86 3HD1 LEU 86 -6.687 -22.287 -0.236 658 HD21 LEU 86 3HD2 LEU 86 -4.894 -24.549 1.442 659 HD22 LEU 86 1HD2 LEU 86 -4.104 -25.431 0.134 660 HD23 LEU 86 2HD2 LEU 86 -5.864 -25.407 0.245 661 H ALA 87 H ALA 87 -2.428 -25.800 -2.777 662 HA ALA 87 HA ALA 87 -1.722 -27.356 -0.528 663 HB1 ALA 87 1HB ALA 87 -1.189 -29.110 -2.139 664 HB2 ALA 87 2HB ALA 87 -2.718 -28.325 -2.535 665 HB3 ALA 87 3HB ALA 87 -1.263 -27.935 -3.452 666 H ALA 88 H ALA 88 0.070 -25.157 -2.377 667 HA ALA 88 HA ALA 88 2.634 -26.411 -1.728 668 HB1 ALA 88 1HB ALA 88 3.627 -24.736 -3.188 669 HB2 ALA 88 2HB ALA 88 2.322 -25.589 -4.013 670 HB3 ALA 88 3HB ALA 88 2.055 -23.961 -3.389 671 H GLY 89 H GLY 89 0.586 -23.746 -0.831 672 HA2 GLY 89 2HA GLY 89 2.711 -22.544 0.790 673 HA3 GLY 89 3HA GLY 89 1.136 -21.836 0.460 674 H ASP 90 H ASP 90 -0.700 -23.466 1.290 675 HA ASP 90 HA ASP 90 -0.760 -23.276 4.040 676 HB2 ASP 90 2HB ASP 90 -2.826 -23.629 2.980 677 HB3 ASP 90 3HB ASP 90 -2.243 -25.050 2.117 678 H THR 91 H THR 91 0.835 -24.067 5.284 679 HA THR 91 HA THR 91 1.406 -26.952 5.080 680 HB THR 91 HB THR 91 3.682 -26.374 6.054 681 HG1 THR 91 HG1 THR 91 3.109 -23.780 5.039 682 HG21 THR 91 3HG2 THR 91 4.386 -25.317 3.712 683 HG22 THR 91 1HG2 THR 91 2.747 -25.810 3.292 684 HG23 THR 91 2HG2 THR 91 3.906 -27.006 3.872 685 H ASP 92 H ASP 92 1.287 -24.139 7.234 686 HA ASP 92 HA ASP 92 0.999 -25.963 9.523 687 HB2 ASP 92 2HB ASP 92 1.775 -23.042 9.411 688 HB3 ASP 92 3HB ASP 92 1.514 -23.939 10.904 689 H GLY 93 H GLY 93 -1.130 -25.297 7.609 690 HA2 GLY 93 2HA GLY 93 -3.045 -24.192 9.558 691 HA3 GLY 93 3HA GLY 93 -3.037 -23.610 7.900 692 H ASP 94 H ASP 94 -5.027 -24.297 7.266 693 HA ASP 94 HA ASP 94 -5.317 -26.986 6.455 694 HB2 ASP 94 2HB ASP 94 -7.382 -27.440 7.902 695 HB3 ASP 94 3HB ASP 94 -5.809 -27.597 8.679 696 H GLY 95 H GLY 95 -5.908 -26.153 4.491 697 HA2 GLY 95 2HA GLY 95 -7.500 -25.565 2.917 698 HA3 GLY 95 3HA GLY 95 -8.655 -25.341 4.223 699 H LYS 96 H LYS 96 -5.610 -23.711 4.390 700 HA LYS 96 HA LYS 96 -6.340 -21.336 3.029 701 HB2 LYS 96 2HB LYS 96 -6.486 -19.922 5.158 702 HB3 LYS 96 3HB LYS 96 -7.903 -20.867 4.720 703 HG2 LYS 96 2HG LYS 96 -7.382 -22.525 6.371 704 HG3 LYS 96 3HG LYS 96 -5.840 -21.744 6.730 705 HD2 LYS 96 2HD LYS 96 -6.802 -20.284 8.121 706 HD3 LYS 96 3HD LYS 96 -8.085 -19.915 6.967 707 HE2 LYS 96 2HE LYS 96 -8.102 -22.480 8.514 708 HE3 LYS 96 3HE LYS 96 -8.703 -20.989 9.239 709 HZ1 LYS 96 3HZ LYS 96 -10.247 -22.619 7.864 710 HZ2 LYS 96 1HZ LYS 96 -9.697 -21.662 6.581 711 HZ3 LYS 96 2HZ LYS 96 -10.499 -20.947 7.887 712 H ILE 97 H ILE 97 -4.845 -19.464 3.754 713 HA ILE 97 HA ILE 97 -2.287 -20.495 4.758 714 HB ILE 97 HB ILE 97 -2.636 -18.896 2.220 715 HG12 ILE 97 2HG1 ILE 97 -1.489 -21.650 2.731 716 HG13 ILE 97 3HG1 ILE 97 -3.034 -21.303 1.963 717 HG21 ILE 97 1HG2 ILE 97 -0.179 -18.970 2.060 718 HG22 ILE 97 2HG2 ILE 97 -0.736 -18.051 3.458 719 HG23 ILE 97 3HG2 ILE 97 -0.113 -19.688 3.670 720 HD11 ILE 97 3HD1 ILE 97 -0.326 -20.547 0.891 721 HD12 ILE 97 1HD1 ILE 97 -1.333 -21.881 0.328 722 HD13 ILE 97 2HD1 ILE 97 -1.876 -20.216 0.117 723 H GLY 98 H GLY 98 -1.019 -19.018 5.855 724 HA2 GLY 98 2HA GLY 98 -2.299 -16.400 6.349 725 HA3 GLY 98 3HA GLY 98 -1.425 -17.306 7.575 726 H VAL 99 H VAL 99 0.522 -16.539 8.008 727 HA VAL 99 HA VAL 99 1.955 -15.074 5.891 728 HB VAL 99 HB VAL 99 3.222 -14.458 8.279 729 HG11 VAL 99 1HG1 VAL 99 2.641 -12.283 7.776 730 HG12 VAL 99 2HG1 VAL 99 2.435 -13.076 6.213 731 HG13 VAL 99 3HG1 VAL 99 1.028 -12.729 7.220 732 HG21 VAL 99 3HG2 VAL 99 1.408 -13.693 9.759 733 HG22 VAL 99 1HG2 VAL 99 0.235 -14.477 8.701 734 HG23 VAL 99 2HG2 VAL 99 1.422 -15.446 9.572 735 H GLU 100 H GLU 100 2.623 -17.024 8.806 736 HA GLU 100 HA GLU 100 5.283 -17.606 8.241 737 HB2 GLU 100 2HB GLU 100 3.265 -18.529 10.088 738 HB3 GLU 100 3HB GLU 100 4.244 -19.877 9.525 739 HG2 GLU 100 2HG GLU 100 6.222 -18.230 10.072 740 HG3 GLU 100 3HG GLU 100 5.020 -17.512 11.143 741 H GLU 101 H GLU 101 2.347 -19.025 7.005 742 HA GLU 101 HA GLU 101 3.767 -21.227 5.746 743 HB2 GLU 101 2HB GLU 101 0.870 -20.502 5.348 744 HB3 GLU 101 3HB GLU 101 1.639 -22.066 5.115 745 HG2 GLU 101 2HG GLU 101 1.958 -22.311 7.492 746 HG3 GLU 101 3HG GLU 101 1.313 -20.695 7.774 747 H PHE 102 H PHE 102 3.014 -18.023 5.038 748 HA PHE 102 HA PHE 102 2.722 -18.335 2.187 749 HB2 PHE 102 2HB PHE 102 1.633 -16.480 3.423 750 HB3 PHE 102 3HB PHE 102 3.224 -15.828 3.805 751 HD1 PHE 102 HD1 PHE 102 0.819 -16.480 1.098 752 HD2 PHE 102 HD2 PHE 102 4.465 -14.584 2.206 753 HE1 PHE 102 HE1 PHE 102 0.798 -15.214 -1.012 754 HE2 PHE 102 HE2 PHE 102 4.449 -13.315 0.099 755 HZ PHE 102 HZ PHE 102 2.614 -13.628 -1.513 756 H GLN 103 H GLN 103 5.142 -16.626 4.179 757 HA GLN 103 HA GLN 103 7.031 -16.255 2.180 758 HB2 GLN 103 2HB GLN 103 8.687 -16.105 4.074 759 HB3 GLN 103 3HB GLN 103 7.277 -15.065 4.228 760 HG2 GLN 103 2HG GLN 103 6.264 -16.660 5.771 761 HG3 GLN 103 3HG GLN 103 7.674 -17.706 5.615 762 HE21 GLN 103 1HE2 GLN 103 8.235 -17.608 7.757 763 HE22 GLN 103 2HE2 GLN 103 8.852 -16.178 8.506 764 H SER 104 H SER 104 6.298 -19.082 4.068 765 HA SER 104 HA SER 104 8.699 -20.506 3.613 766 HB2 SER 104 2HB SER 104 6.981 -21.066 5.360 767 HB3 SER 104 3HB SER 104 5.950 -21.683 4.070 768 HG SER 104 HG SER 104 7.506 -23.158 5.294 769 H LEU 105 H LEU 105 6.187 -19.635 1.534 770 HA LEU 105 HA LEU 105 6.781 -21.830 -0.326 771 HB2 LEU 105 2HB LEU 105 4.464 -21.680 -0.002 772 HB3 LEU 105 3HB LEU 105 4.483 -19.919 -0.072 773 HG LEU 105 HG LEU 105 5.278 -21.386 -2.525 774 HD11 LEU 105 1HD1 LEU 105 3.426 -22.720 -2.127 775 HD12 LEU 105 2HD1 LEU 105 2.759 -21.403 -3.092 776 HD13 LEU 105 3HD1 LEU 105 2.530 -21.418 -1.343 777 HD21 LEU 105 3HD2 LEU 105 4.922 -18.781 -1.930 778 HD22 LEU 105 1HD2 LEU 105 3.315 -19.190 -2.530 779 HD23 LEU 105 2HD2 LEU 105 4.730 -19.454 -3.549 780 H VAL 106 H VAL 106 6.648 -18.310 -0.066 781 HA VAL 106 HA VAL 106 7.331 -17.686 -2.713 782 HB VAL 106 HB VAL 106 8.030 -16.107 -0.233 783 HG11 VAL 106 1HG1 VAL 106 9.073 -14.774 -1.683 784 HG12 VAL 106 2HG1 VAL 106 8.421 -15.648 -3.071 785 HG13 VAL 106 3HG1 VAL 106 7.476 -14.367 -2.311 786 HG21 VAL 106 3HG2 VAL 106 5.861 -14.874 -1.222 787 HG22 VAL 106 1HG2 VAL 106 5.494 -16.536 -1.686 788 HG23 VAL 106 2HG2 VAL 106 5.778 -16.135 0.008 789 H LYS 107 H LYS 107 9.376 -18.152 0.153 790 HA LYS 107 HA LYS 107 11.836 -17.568 -1.051 791 HB2 LYS 107 2HB LYS 107 11.307 -19.522 1.196 792 HB3 LYS 107 3HB LYS 107 12.849 -18.767 0.817 793 HG2 LYS 107 2HG LYS 107 12.221 -16.732 1.666 794 HG3 LYS 107 3HG LYS 107 10.501 -17.033 1.405 795 HD2 LYS 107 2HD LYS 107 10.709 -17.199 3.711 796 HD3 LYS 107 3HD LYS 107 10.797 -18.883 3.190 797 HE2 LYS 107 2HE LYS 107 13.341 -18.522 3.151 798 HE3 LYS 107 3HE LYS 107 13.012 -17.075 4.102 799 HZ1 LYS 107 3HZ LYS 107 13.296 -18.575 5.763 800 HZ2 LYS 107 1HZ LYS 107 12.750 -19.889 4.848 801 HZ3 LYS 107 2HZ LYS 107 11.638 -18.801 5.512 802 H ALA 108 H ALA 108 9.755 -20.247 -1.437 803 HA ALA 108 HA ALA 108 11.820 -22.076 -2.318 804 HB1 ALA 108 1HB ALA 108 9.590 -22.661 -1.135 805 HB2 ALA 108 2HB ALA 108 8.896 -22.529 -2.751 806 HB3 ALA 108 3HB ALA 108 10.176 -23.700 -2.434 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.928 1.263 -3.642 2 HA ALA 1 HA ALA 1 1.224 0.590 -1.041 3 HB1 ALA 1 1HB ALA 1 -0.311 -1.487 -1.808 4 HB2 ALA 1 2HB ALA 1 -0.906 0.166 -1.644 5 HB3 ALA 1 3HB ALA 1 -0.448 -0.453 -3.230 6 H ILE 2 H ILE 2 2.262 -1.357 -3.803 7 HA ILE 2 HA ILE 2 3.671 -3.140 -1.926 8 HB ILE 2 HB ILE 2 1.986 -4.366 -3.163 9 HG12 ILE 2 2HG1 ILE 2 3.437 -6.058 -4.246 10 HG13 ILE 2 3HG1 ILE 2 4.779 -4.920 -4.190 11 HG21 ILE 2 1HG2 ILE 2 1.430 -3.836 -5.244 12 HG22 ILE 2 2HG2 ILE 2 2.725 -2.641 -5.275 13 HG23 ILE 2 3HG2 ILE 2 3.037 -4.292 -5.809 14 HD11 ILE 2 3HD1 ILE 2 4.601 -4.908 -1.724 15 HD12 ILE 2 1HD1 ILE 2 3.356 -6.151 -1.845 16 HD13 ILE 2 2HD1 ILE 2 4.997 -6.489 -2.397 17 H THR 3 H THR 3 3.911 -1.122 -4.746 18 HA THR 3 HA THR 3 6.353 -1.933 -5.800 19 HB THR 3 HB THR 3 6.581 0.360 -6.684 20 HG1 THR 3 HG1 THR 3 4.931 1.881 -6.114 21 HG21 THR 3 3HG2 THR 3 3.793 0.195 -7.243 22 HG22 THR 3 1HG2 THR 3 4.434 -1.443 -7.128 23 HG23 THR 3 2HG2 THR 3 5.149 -0.293 -8.259 24 H ASP 4 H ASP 4 5.652 -0.231 -2.874 25 HA ASP 4 HA ASP 4 8.086 1.080 -2.436 26 HB2 ASP 4 2HB ASP 4 5.933 0.032 -0.632 27 HB3 ASP 4 3HB ASP 4 7.423 0.666 0.061 28 H ILE 5 H ILE 5 7.314 -2.253 -2.419 29 HA ILE 5 HA ILE 5 9.914 -2.865 -1.170 30 HB ILE 5 HB ILE 5 7.816 -4.966 -1.318 31 HG12 ILE 5 2HG1 ILE 5 7.805 -2.719 0.707 32 HG13 ILE 5 3HG1 ILE 5 6.549 -3.062 -0.477 33 HG21 ILE 5 1HG2 ILE 5 10.087 -5.424 -0.488 34 HG22 ILE 5 2HG2 ILE 5 9.839 -4.241 0.795 35 HG23 ILE 5 3HG2 ILE 5 8.855 -5.703 0.742 36 HD11 ILE 5 3HD1 ILE 5 6.306 -5.314 0.664 37 HD12 ILE 5 1HD1 ILE 5 7.291 -4.637 1.961 38 HD13 ILE 5 2HD1 ILE 5 5.743 -3.898 1.552 39 H LEU 6 H LEU 6 7.555 -3.969 -3.589 40 HA LEU 6 HA LEU 6 9.663 -5.482 -4.942 41 HB2 LEU 6 2HB LEU 6 6.739 -5.617 -4.803 42 HB3 LEU 6 3HB LEU 6 7.399 -5.870 -6.417 43 HG LEU 6 HG LEU 6 8.627 -7.781 -5.702 44 HD11 LEU 6 1HD1 LEU 6 8.364 -6.558 -3.101 45 HD12 LEU 6 2HD1 LEU 6 9.497 -7.789 -3.659 46 HD13 LEU 6 3HD1 LEU 6 7.906 -8.261 -3.060 47 HD21 LEU 6 3HD2 LEU 6 5.955 -8.000 -4.336 48 HD22 LEU 6 1HD2 LEU 6 6.880 -9.272 -5.134 49 HD23 LEU 6 2HD2 LEU 6 6.141 -7.987 -6.090 50 H SER 7 H SER 7 9.114 -5.448 -7.505 51 HA SER 7 HA SER 7 9.195 -2.604 -8.276 52 HB2 SER 7 2HB SER 7 10.873 -4.929 -9.084 53 HB3 SER 7 3HB SER 7 10.505 -3.724 -10.318 54 HG SER 7 HG SER 7 11.269 -2.149 -8.709 55 H ALA 8 H ALA 8 7.776 -1.922 -9.754 56 HA ALA 8 HA ALA 8 5.646 -3.564 -10.603 57 HB1 ALA 8 1HB ALA 8 6.321 -0.796 -10.701 58 HB2 ALA 8 2HB ALA 8 5.781 -1.310 -12.300 59 HB3 ALA 8 3HB ALA 8 4.743 -1.560 -10.896 60 H LYS 9 H LYS 9 8.729 -2.806 -12.005 61 HA LYS 9 HA LYS 9 7.990 -3.799 -14.630 62 HB2 LYS 9 2HB LYS 9 9.747 -1.918 -13.932 63 HB3 LYS 9 3HB LYS 9 10.831 -3.302 -13.890 64 HG2 LYS 9 2HG LYS 9 10.437 -3.785 -16.184 65 HG3 LYS 9 3HG LYS 9 9.118 -2.614 -16.264 66 HD2 LYS 9 2HD LYS 9 11.029 -0.957 -15.482 67 HD3 LYS 9 3HD LYS 9 12.061 -2.174 -16.237 68 HE2 LYS 9 2HE LYS 9 9.691 -0.937 -17.619 69 HE3 LYS 9 3HE LYS 9 11.320 -0.272 -17.724 70 HZ1 LYS 9 3HZ LYS 9 11.605 -2.935 -18.303 71 HZ2 LYS 9 1HZ LYS 9 11.629 -1.657 -19.411 72 HZ3 LYS 9 2HZ LYS 9 10.187 -2.487 -19.109 73 H ASP 10 H ASP 10 8.471 -5.307 -11.843 74 HA ASP 10 HA ASP 10 9.843 -7.589 -13.104 75 HB2 ASP 10 2HB ASP 10 9.901 -6.855 -10.170 76 HB3 ASP 10 3HB ASP 10 10.744 -8.204 -10.927 77 H ILE 11 H ILE 11 7.268 -6.483 -11.003 78 HA ILE 11 HA ILE 11 6.272 -8.977 -10.188 79 HB ILE 11 HB ILE 11 4.799 -6.374 -10.606 80 HG12 ILE 11 2HG1 ILE 11 5.449 -7.483 -7.921 81 HG13 ILE 11 3HG1 ILE 11 6.773 -6.790 -8.851 82 HG21 ILE 11 1HG2 ILE 11 3.940 -8.891 -9.187 83 HG22 ILE 11 2HG2 ILE 11 3.098 -7.345 -9.093 84 HG23 ILE 11 3HG2 ILE 11 3.217 -8.191 -10.636 85 HD11 ILE 11 3HD1 ILE 11 5.641 -5.233 -7.257 86 HD12 ILE 11 1HD1 ILE 11 5.719 -4.671 -8.927 87 HD13 ILE 11 2HD1 ILE 11 4.212 -5.327 -8.286 88 H GLU 12 H GLU 12 5.066 -6.848 -12.789 89 HA GLU 12 HA GLU 12 3.292 -8.787 -13.846 90 HB2 GLU 12 2HB GLU 12 2.831 -7.240 -15.551 91 HB3 GLU 12 3HB GLU 12 3.228 -6.247 -14.157 92 HG2 GLU 12 2HG GLU 12 5.609 -6.214 -15.118 93 HG3 GLU 12 3HG GLU 12 4.856 -6.780 -16.608 94 H SER 13 H SER 13 6.656 -8.080 -14.365 95 HA SER 13 HA SER 13 6.843 -9.627 -16.795 96 HB2 SER 13 2HB SER 13 8.305 -7.610 -16.145 97 HB3 SER 13 3HB SER 13 9.175 -8.737 -15.104 98 HG SER 13 HG SER 13 8.888 -8.820 -17.919 99 H ALA 14 H ALA 14 6.372 -10.503 -13.704 100 HA ALA 14 HA ALA 14 8.059 -12.910 -13.907 101 HB1 ALA 14 1HB ALA 14 7.909 -13.108 -11.503 102 HB2 ALA 14 2HB ALA 14 8.485 -11.497 -11.931 103 HB3 ALA 14 3HB ALA 14 6.810 -11.731 -11.428 104 H LEU 15 H LEU 15 4.832 -11.714 -13.781 105 HA LEU 15 HA LEU 15 3.557 -14.118 -12.937 106 HB2 LEU 15 2HB LEU 15 2.533 -11.704 -14.417 107 HB3 LEU 15 3HB LEU 15 1.506 -13.033 -13.881 108 HG LEU 15 HG LEU 15 3.173 -11.675 -11.833 109 HD11 LEU 15 1HD1 LEU 15 2.334 -9.649 -12.136 110 HD12 LEU 15 2HD1 LEU 15 0.704 -10.299 -11.974 111 HD13 LEU 15 3HD1 LEU 15 1.461 -10.207 -13.563 112 HD21 LEU 15 3HD2 LEU 15 1.271 -13.620 -11.782 113 HD22 LEU 15 1HD2 LEU 15 0.318 -12.183 -11.411 114 HD23 LEU 15 2HD2 LEU 15 1.708 -12.601 -10.410 115 H SER 16 H SER 16 3.995 -12.592 -16.123 116 HA SER 16 HA SER 16 2.927 -14.910 -17.481 117 HB2 SER 16 2HB SER 16 4.140 -13.289 -19.396 118 HB3 SER 16 3HB SER 16 2.436 -13.276 -18.943 119 HG SER 16 HG SER 16 2.840 -11.616 -17.523 120 H SER 17 H SER 17 5.761 -14.387 -15.997 121 HA SER 17 HA SER 17 7.525 -15.467 -18.032 122 HB2 SER 17 2HB SER 17 7.847 -14.272 -15.339 123 HB3 SER 17 3HB SER 17 9.039 -15.489 -15.792 124 HG SER 17 HG SER 17 9.770 -14.221 -17.362 125 H CYS 18 H CYS 18 5.864 -16.527 -15.132 126 HA CYS 18 HA CYS 18 6.961 -19.230 -15.525 127 HB2 CYS 18 2HB CYS 18 6.292 -19.648 -13.169 128 HB3 CYS 18 3HB CYS 18 7.477 -18.357 -13.326 129 HG CYS 18 HG CYS 18 5.061 -18.144 -11.455 130 H GLN 19 H GLN 19 5.022 -18.590 -17.271 131 HA GLN 19 HA GLN 19 2.559 -19.774 -16.180 132 HB2 GLN 19 2HB GLN 19 3.075 -17.862 -18.431 133 HB3 GLN 19 3HB GLN 19 1.618 -18.847 -18.430 134 HG2 GLN 19 2HG GLN 19 2.284 -17.294 -15.986 135 HG3 GLN 19 3HG GLN 19 1.649 -16.438 -17.389 136 HE21 GLN 19 1HE2 GLN 19 0.847 -18.033 -14.608 137 HE22 GLN 19 2HE2 GLN 19 -0.812 -18.375 -14.949 138 H ALA 20 H ALA 20 5.250 -20.502 -18.003 139 HA ALA 20 HA ALA 20 3.825 -22.619 -19.476 140 HB1 ALA 20 1HB ALA 20 5.359 -20.717 -20.591 141 HB2 ALA 20 2HB ALA 20 6.583 -21.948 -20.279 142 HB3 ALA 20 3HB ALA 20 5.173 -22.336 -21.265 143 H ALA 21 H ALA 21 5.863 -24.285 -20.109 144 HA ALA 21 HA ALA 21 6.588 -25.373 -17.486 145 HB1 ALA 21 1HB ALA 21 6.676 -27.489 -18.466 146 HB2 ALA 21 2HB ALA 21 5.312 -26.707 -19.266 147 HB3 ALA 21 3HB ALA 21 6.865 -26.832 -20.092 148 H ASP 22 H ASP 22 7.962 -24.074 -20.397 149 HA ASP 22 HA ASP 22 10.662 -24.654 -19.365 150 HB2 ASP 22 2HB ASP 22 10.106 -25.692 -21.576 151 HB3 ASP 22 3HB ASP 22 9.902 -24.071 -22.233 152 H SER 23 H SER 23 8.547 -22.322 -19.190 153 HA SER 23 HA SER 23 10.110 -20.096 -20.187 154 HB2 SER 23 2HB SER 23 7.558 -20.206 -20.180 155 HB3 SER 23 3HB SER 23 7.653 -19.924 -18.441 156 HG SER 23 HG SER 23 7.613 -17.910 -19.110 157 H PHE 24 H PHE 24 9.506 -21.728 -17.168 158 HA PHE 24 HA PHE 24 10.884 -19.655 -15.645 159 HB2 PHE 24 2HB PHE 24 8.874 -20.592 -14.645 160 HB3 PHE 24 3HB PHE 24 9.541 -22.218 -14.764 161 HD1 PHE 24 HD2 PHE 24 10.934 -18.982 -13.534 162 HD2 PHE 24 HD1 PHE 24 9.971 -23.036 -12.666 163 HE1 PHE 24 HE2 PHE 24 11.925 -18.735 -11.296 164 HE2 PHE 24 HE1 PHE 24 10.959 -22.795 -10.426 165 HZ PHE 24 HZ PHE 24 11.939 -20.642 -9.739 166 H ASN 25 H ASN 25 12.930 -20.019 -16.739 167 HA ASN 25 HA ASN 25 14.306 -22.474 -15.881 168 HB2 ASN 25 2HB ASN 25 15.782 -22.230 -17.714 169 HB3 ASN 25 3HB ASN 25 14.185 -21.865 -18.361 170 HD21 ASN 25 1HD2 ASN 25 13.597 -19.553 -18.438 171 HD22 ASN 25 2HD2 ASN 25 14.837 -18.415 -18.827 172 H TYR 26 H TYR 26 16.874 -21.852 -15.901 173 HA TYR 26 HA TYR 26 17.389 -20.626 -13.495 174 HB2 TYR 26 2HB TYR 26 19.752 -20.300 -14.442 175 HB3 TYR 26 3HB TYR 26 19.118 -21.941 -14.397 176 HD1 TYR 26 HD2 TYR 26 19.789 -19.057 -16.614 177 HD2 TYR 26 HD1 TYR 26 18.828 -23.196 -16.389 178 HE1 TYR 26 HE2 TYR 26 20.227 -19.284 -19.024 179 HE2 TYR 26 HE1 TYR 26 19.264 -23.434 -18.798 180 HH TYR 26 HH TYR 26 19.199 -21.715 -20.859 181 H LYS 27 H LYS 27 17.056 -19.174 -16.661 182 HA LYS 27 HA LYS 27 18.069 -16.608 -15.915 183 HB2 LYS 27 2HB LYS 27 16.542 -17.672 -18.270 184 HB3 LYS 27 3HB LYS 27 16.772 -15.940 -18.071 185 HG2 LYS 27 2HG LYS 27 19.205 -17.566 -17.809 186 HG3 LYS 27 3HG LYS 27 18.463 -17.557 -19.410 187 HD2 LYS 27 2HD LYS 27 18.751 -15.268 -19.669 188 HD3 LYS 27 3HD LYS 27 18.890 -14.989 -17.931 189 HE2 LYS 27 2HE LYS 27 21.050 -16.308 -18.034 190 HE3 LYS 27 3HE LYS 27 20.925 -16.198 -19.789 191 HZ1 LYS 27 3HZ LYS 27 20.932 -13.788 -19.600 192 HZ2 LYS 27 1HZ LYS 27 22.322 -14.447 -18.897 193 HZ3 LYS 27 2HZ LYS 27 21.059 -13.897 -17.917 194 H SER 28 H SER 28 14.810 -17.956 -16.339 195 HA SER 28 HA SER 28 13.319 -15.675 -15.850 196 HB2 SER 28 2HB SER 28 12.608 -18.135 -16.471 197 HB3 SER 28 3HB SER 28 12.399 -18.294 -14.727 198 HG SER 28 HG SER 28 10.888 -16.924 -16.561 199 H PHE 29 H PHE 29 14.608 -18.023 -13.525 200 HA PHE 29 HA PHE 29 13.490 -16.986 -11.203 201 HB2 PHE 29 2HB PHE 29 14.650 -19.121 -11.217 202 HB3 PHE 29 3HB PHE 29 16.174 -18.324 -11.594 203 HD1 PHE 29 HD1 PHE 29 17.254 -16.873 -9.893 204 HD2 PHE 29 HD2 PHE 29 13.856 -19.275 -9.000 205 HE1 PHE 29 HE1 PHE 29 17.733 -16.650 -7.490 206 HE2 PHE 29 HE2 PHE 29 14.329 -19.056 -6.596 207 HZ PHE 29 HZ PHE 29 16.269 -17.742 -5.838 208 H PHE 30 H PHE 30 16.072 -15.779 -13.163 209 HA PHE 30 HA PHE 30 17.130 -14.015 -11.143 210 HB2 PHE 30 2HB PHE 30 17.622 -14.063 -14.128 211 HB3 PHE 30 3HB PHE 30 18.554 -13.153 -12.944 212 HD1 PHE 30 HD1 PHE 30 18.497 -15.411 -10.831 213 HD2 PHE 30 HD2 PHE 30 19.480 -15.307 -14.971 214 HE1 PHE 30 HE1 PHE 30 19.990 -17.343 -10.522 215 HE2 PHE 30 HE2 PHE 30 20.973 -17.239 -14.669 216 HZ PHE 30 HZ PHE 30 21.229 -18.260 -12.443 217 H SER 31 H SER 31 14.948 -13.784 -13.893 218 HA SER 31 HA SER 31 14.642 -10.915 -13.557 219 HB2 SER 31 2HB SER 31 14.664 -11.866 -15.826 220 HB3 SER 31 3HB SER 31 13.239 -12.829 -15.439 221 HG SER 31 HG SER 31 13.465 -10.040 -15.760 222 H THR 32 H THR 32 13.611 -13.336 -11.776 223 HA THR 32 HA THR 32 10.857 -13.292 -11.620 224 HB THR 32 HB THR 32 12.674 -13.417 -9.210 225 HG1 THR 32 HG1 THR 32 12.761 -15.667 -9.667 226 HG21 THR 32 3HG2 THR 32 10.770 -15.170 -8.668 227 HG22 THR 32 1HG2 THR 32 9.845 -14.160 -9.779 228 HG23 THR 32 2HG2 THR 32 10.556 -13.453 -8.328 229 H VAL 33 H VAL 33 9.417 -12.227 -10.110 230 HA VAL 33 HA VAL 33 9.390 -9.493 -10.248 231 HB VAL 33 HB VAL 33 7.389 -10.590 -9.605 232 HG11 VAL 33 1HG1 VAL 33 7.603 -11.451 -7.002 233 HG12 VAL 33 2HG1 VAL 33 7.617 -12.481 -8.435 234 HG13 VAL 33 3HG1 VAL 33 9.137 -11.951 -7.713 235 HG21 VAL 33 3HG2 VAL 33 8.055 -8.315 -8.518 236 HG22 VAL 33 1HG2 VAL 33 6.611 -9.164 -7.966 237 HG23 VAL 33 2HG2 VAL 33 8.101 -9.256 -7.027 238 H GLY 34 H GLY 34 11.014 -11.514 -7.893 239 HA2 GLY 34 2HA GLY 34 13.039 -10.582 -6.885 240 HA3 GLY 34 3HA GLY 34 12.168 -9.065 -6.710 241 H LEU 35 H LEU 35 10.055 -11.523 -6.039 242 HA LEU 35 HA LEU 35 10.151 -10.956 -3.212 243 HB2 LEU 35 2HB LEU 35 8.209 -11.852 -5.077 244 HB3 LEU 35 3HB LEU 35 8.341 -13.068 -3.808 245 HG LEU 35 HG LEU 35 7.621 -10.159 -3.481 246 HD11 LEU 35 1HD1 LEU 35 5.631 -11.481 -2.339 247 HD12 LEU 35 2HD1 LEU 35 6.133 -12.726 -3.481 248 HD13 LEU 35 3HD1 LEU 35 5.651 -11.135 -4.068 249 HD21 LEU 35 3HD2 LEU 35 7.299 -10.826 -1.068 250 HD22 LEU 35 1HD2 LEU 35 8.971 -10.682 -1.609 251 HD23 LEU 35 2HD2 LEU 35 8.237 -12.276 -1.432 252 H SER 36 H SER 36 10.670 -13.765 -5.305 253 HA SER 36 HA SER 36 11.163 -15.604 -3.205 254 HB2 SER 36 2HB SER 36 12.073 -15.710 -6.091 255 HB3 SER 36 3HB SER 36 12.057 -17.067 -4.965 256 HG SER 36 HG SER 36 9.881 -15.689 -6.113 257 H SER 37 H SER 37 12.997 -13.057 -4.470 258 HA SER 37 HA SER 37 15.491 -14.204 -3.403 259 HB2 SER 37 2HB SER 37 16.720 -12.845 -4.892 260 HB3 SER 37 3HB SER 37 15.364 -13.434 -5.854 261 HG SER 37 HG SER 37 15.735 -10.877 -4.710 262 H LYS 38 H LYS 38 13.131 -12.626 -2.155 263 HA LYS 38 HA LYS 38 14.546 -10.305 -1.105 264 HB2 LYS 38 2HB LYS 38 11.727 -11.230 -1.167 265 HB3 LYS 38 3HB LYS 38 12.208 -10.265 0.223 266 HG2 LYS 38 2HG LYS 38 13.039 -9.195 -2.383 267 HG3 LYS 38 3HG LYS 38 11.296 -9.246 -2.104 268 HD2 LYS 38 2HD LYS 38 11.586 -8.007 -0.021 269 HD3 LYS 38 3HD LYS 38 13.334 -7.981 -0.270 270 HE2 LYS 38 2HE LYS 38 12.902 -6.778 -2.433 271 HE3 LYS 38 3HE LYS 38 11.214 -6.643 -1.942 272 HZ1 LYS 38 3HZ LYS 38 12.119 -4.663 -1.228 273 HZ2 LYS 38 1HZ LYS 38 13.590 -5.360 -0.767 274 HZ3 LYS 38 2HZ LYS 38 12.207 -5.601 0.177 275 H THR 39 H THR 39 14.258 -9.913 1.321 276 HA THR 39 HA THR 39 15.401 -12.182 2.700 277 HB THR 39 HB THR 39 15.635 -9.402 2.965 278 HG1 THR 39 HG1 THR 39 17.407 -10.501 3.478 279 HG21 THR 39 3HG2 THR 39 15.080 -8.943 5.267 280 HG22 THR 39 1HG2 THR 39 14.504 -10.593 5.499 281 HG23 THR 39 2HG2 THR 39 13.628 -9.495 4.432 282 HA PRO 40 HA PRO 40 11.817 -13.619 4.792 283 HB2 PRO 40 2HB PRO 40 12.859 -14.373 7.183 284 HB3 PRO 40 3HB PRO 40 13.142 -15.269 5.686 285 HG2 PRO 40 2HG PRO 40 14.907 -13.285 7.069 286 HG3 PRO 40 3HG PRO 40 15.337 -14.834 6.319 287 HD2 PRO 40 2HD PRO 40 15.737 -12.457 5.085 288 HD3 PRO 40 3HD PRO 40 15.354 -13.944 4.193 289 H ASP 41 H ASP 41 11.146 -11.227 4.806 290 HA ASP 41 HA ASP 41 10.052 -10.601 7.307 291 HB2 ASP 41 2HB ASP 41 12.665 -9.924 7.361 292 HB3 ASP 41 3HB ASP 41 11.986 -8.443 6.691 293 H GLN 42 H GLN 42 11.064 -9.530 4.136 294 HA GLN 42 HA GLN 42 9.087 -7.410 4.051 295 HB2 GLN 42 2HB GLN 42 10.748 -8.414 1.746 296 HB3 GLN 42 3HB GLN 42 9.997 -6.834 1.933 297 HG2 GLN 42 2HG GLN 42 12.443 -7.925 3.260 298 HG3 GLN 42 3HG GLN 42 12.245 -6.436 2.338 299 HE21 GLN 42 1HE2 GLN 42 10.080 -5.297 3.491 300 HE22 GLN 42 2HE2 GLN 42 10.410 -4.913 5.143 301 H ILE 43 H ILE 43 9.494 -10.685 2.912 302 HA ILE 43 HA ILE 43 7.526 -10.791 0.944 303 HB ILE 43 HB ILE 43 8.241 -12.995 2.881 304 HG12 ILE 43 2HG1 ILE 43 9.416 -12.474 0.148 305 HG13 ILE 43 3HG1 ILE 43 10.175 -11.932 1.641 306 HG21 ILE 43 1HG2 ILE 43 7.675 -14.159 0.478 307 HG22 ILE 43 2HG2 ILE 43 6.555 -14.028 1.832 308 HG23 ILE 43 3HG2 ILE 43 6.508 -12.838 0.532 309 HD11 ILE 43 3HD1 ILE 43 10.857 -14.190 0.493 310 HD12 ILE 43 1HD1 ILE 43 10.795 -14.037 2.249 311 HD13 ILE 43 2HD1 ILE 43 9.462 -14.802 1.383 312 H LYS 44 H LYS 44 7.242 -11.467 4.427 313 HA LYS 44 HA LYS 44 4.550 -12.128 4.508 314 HB2 LYS 44 2HB LYS 44 4.667 -11.189 6.890 315 HB3 LYS 44 3HB LYS 44 5.774 -12.493 6.479 316 HG2 LYS 44 2HG LYS 44 7.607 -11.004 6.307 317 HG3 LYS 44 3HG LYS 44 6.551 -9.592 6.372 318 HD2 LYS 44 2HD LYS 44 7.569 -9.827 8.517 319 HD3 LYS 44 3HD LYS 44 5.879 -10.311 8.677 320 HE2 LYS 44 2HE LYS 44 6.644 -12.688 8.370 321 HE3 LYS 44 3HE LYS 44 8.300 -12.095 8.497 322 HZ1 LYS 44 3HZ LYS 44 7.508 -11.078 10.688 323 HZ2 LYS 44 1HZ LYS 44 7.770 -12.749 10.643 324 HZ3 LYS 44 2HZ LYS 44 6.195 -12.137 10.565 325 H LYS 45 H LYS 45 6.088 -8.974 4.397 326 HA LYS 45 HA LYS 45 3.762 -7.452 4.977 327 HB2 LYS 45 2HB LYS 45 6.345 -6.741 3.584 328 HB3 LYS 45 3HB LYS 45 5.083 -5.568 3.938 329 HG2 LYS 45 2HG LYS 45 6.096 -7.229 6.177 330 HG3 LYS 45 3HG LYS 45 7.139 -5.951 5.551 331 HD2 LYS 45 2HD LYS 45 4.273 -5.474 6.334 332 HD3 LYS 45 3HD LYS 45 5.610 -5.321 7.475 333 HE2 LYS 45 2HE LYS 45 6.623 -3.778 5.625 334 HE3 LYS 45 3HE LYS 45 4.950 -3.658 5.083 335 HZ1 LYS 45 3HZ LYS 45 4.467 -2.289 6.746 336 HZ2 LYS 45 1HZ LYS 45 6.127 -2.169 7.050 337 HZ3 LYS 45 2HZ LYS 45 5.190 -3.289 7.903 338 H VAL 46 H VAL 46 4.924 -9.034 2.144 339 HA VAL 46 HA VAL 46 3.308 -7.480 0.314 340 HB VAL 46 HB VAL 46 4.876 -10.022 -0.142 341 HG11 VAL 46 1HG1 VAL 46 3.407 -8.199 -2.031 342 HG12 VAL 46 2HG1 VAL 46 4.664 -9.319 -2.562 343 HG13 VAL 46 3HG1 VAL 46 3.195 -9.935 -1.803 344 HG21 VAL 46 3HG2 VAL 46 6.428 -8.330 0.366 345 HG22 VAL 46 1HG2 VAL 46 6.382 -8.394 -1.396 346 HG23 VAL 46 2HG2 VAL 46 5.525 -7.114 -0.538 347 H PHE 47 H PHE 47 2.957 -10.286 2.264 348 HA PHE 47 HA PHE 47 0.827 -11.462 0.724 349 HB2 PHE 47 2HB PHE 47 1.748 -13.166 1.906 350 HB3 PHE 47 3HB PHE 47 2.298 -12.106 3.199 351 HD1 PHE 47 HD2 PHE 47 -0.680 -13.842 1.850 352 HD2 PHE 47 HD1 PHE 47 1.118 -11.950 5.211 353 HE1 PHE 47 HE2 PHE 47 -2.519 -14.638 3.277 354 HE2 PHE 47 HE1 PHE 47 -0.717 -12.744 6.645 355 HZ PHE 47 HZ PHE 47 -2.540 -14.089 5.678 356 H GLY 48 H GLY 48 1.124 -9.133 3.274 357 HA2 GLY 48 2HA GLY 48 -1.534 -9.313 4.274 358 HA3 GLY 48 3HA GLY 48 -0.431 -7.964 4.502 359 H ILE 49 H ILE 49 -0.364 -8.197 1.329 360 HA ILE 49 HA ILE 49 -2.440 -6.177 0.990 361 HB ILE 49 HB ILE 49 -0.450 -7.095 -1.079 362 HG12 ILE 49 2HG1 ILE 49 -0.167 -4.828 0.905 363 HG13 ILE 49 3HG1 ILE 49 0.721 -6.347 0.968 364 HG21 ILE 49 1HG2 ILE 49 -2.116 -4.604 -0.772 365 HG22 ILE 49 2HG2 ILE 49 -0.853 -4.813 -1.984 366 HG23 ILE 49 3HG2 ILE 49 -2.278 -5.852 -2.007 367 HD11 ILE 49 3HD1 ILE 49 1.100 -5.260 -1.608 368 HD12 ILE 49 1HD1 ILE 49 1.353 -3.964 -0.439 369 HD13 ILE 49 2HD1 ILE 49 2.281 -5.459 -0.314 370 H LEU 50 H LEU 50 -1.980 -9.493 0.460 371 HA LEU 50 HA LEU 50 -3.754 -9.708 -1.809 372 HB2 LEU 50 2HB LEU 50 -3.085 -12.073 -0.152 373 HB3 LEU 50 3HB LEU 50 -3.171 -11.908 -1.905 374 HG LEU 50 HG LEU 50 -0.912 -10.994 -0.126 375 HD11 LEU 50 1HD1 LEU 50 -1.233 -13.280 -2.051 376 HD12 LEU 50 2HD1 LEU 50 -0.813 -13.343 -0.340 377 HD13 LEU 50 3HD1 LEU 50 0.340 -12.696 -1.506 378 HD21 LEU 50 3HD2 LEU 50 -0.257 -11.013 -2.894 379 HD22 LEU 50 1HD2 LEU 50 -0.249 -9.658 -1.766 380 HD23 LEU 50 2HD2 LEU 50 -1.713 -10.043 -2.670 381 H ASP 51 H ASP 51 -3.861 -10.783 1.589 382 HA ASP 51 HA ASP 51 -6.482 -11.718 1.598 383 HB2 ASP 51 2HB ASP 51 -6.293 -11.850 3.902 384 HB3 ASP 51 3HB ASP 51 -4.599 -11.814 3.421 385 H GLN 52 H GLN 52 -8.121 -10.569 3.253 386 HA GLN 52 HA GLN 52 -8.307 -7.715 2.873 387 HB2 GLN 52 2HB GLN 52 -10.749 -8.190 1.923 388 HB3 GLN 52 3HB GLN 52 -9.354 -8.006 0.867 389 HG2 GLN 52 2HG GLN 52 -9.328 -10.193 0.282 390 HG3 GLN 52 3HG GLN 52 -9.954 -10.733 1.839 391 HE21 GLN 52 1HE2 GLN 52 -12.196 -10.620 2.223 392 HE22 GLN 52 2HE2 GLN 52 -13.326 -10.563 0.917 393 H ASP 53 H ASP 53 -10.160 -10.629 3.737 394 HA ASP 53 HA ASP 53 -10.604 -9.637 6.397 395 HB2 ASP 53 2HB ASP 53 -12.802 -9.620 4.359 396 HB3 ASP 53 3HB ASP 53 -13.182 -9.969 6.043 397 H LYS 54 H LYS 54 -9.318 -11.905 5.403 398 HA LYS 54 HA LYS 54 -11.164 -14.128 5.849 399 HB2 LYS 54 2HB LYS 54 -8.233 -14.334 5.176 400 HB3 LYS 54 3HB LYS 54 -9.484 -15.551 4.957 401 HG2 LYS 54 2HG LYS 54 -9.262 -12.959 3.439 402 HG3 LYS 54 3HG LYS 54 -8.826 -14.560 2.836 403 HD2 LYS 54 2HD LYS 54 -11.590 -13.872 3.812 404 HD3 LYS 54 3HD LYS 54 -11.091 -13.683 2.129 405 HE2 LYS 54 2HE LYS 54 -10.737 -16.001 1.872 406 HE3 LYS 54 3HE LYS 54 -10.796 -16.282 3.612 407 HZ1 LYS 54 3HZ LYS 54 -13.177 -15.475 3.459 408 HZ2 LYS 54 1HZ LYS 54 -12.851 -16.998 2.799 409 HZ3 LYS 54 2HZ LYS 54 -13.035 -15.658 1.783 410 H SER 55 H SER 55 -10.392 -12.349 8.026 411 HA SER 55 HA SER 55 -9.782 -12.453 10.216 412 HB2 SER 55 2HB SER 55 -10.772 -15.048 9.531 413 HB3 SER 55 3HB SER 55 -9.425 -15.240 10.652 414 HG SER 55 HG SER 55 -10.567 -13.531 11.907 415 H GLY 56 H GLY 56 -7.742 -12.582 7.990 416 HA2 GLY 56 2HA GLY 56 -5.417 -12.159 8.383 417 HA3 GLY 56 3HA GLY 56 -5.476 -13.291 9.726 418 H PHE 57 H PHE 57 -6.777 -15.428 8.445 419 HA PHE 57 HA PHE 57 -4.574 -16.385 6.780 420 HB2 PHE 57 2HB PHE 57 -6.850 -17.857 8.121 421 HB3 PHE 57 3HB PHE 57 -5.604 -18.628 7.146 422 HD1 PHE 57 HD2 PHE 57 -6.336 -16.946 10.312 423 HD2 PHE 57 HD1 PHE 57 -3.367 -18.911 7.980 424 HE1 PHE 57 HE2 PHE 57 -4.905 -17.140 12.304 425 HE2 PHE 57 HE1 PHE 57 -1.931 -19.110 9.969 426 HZ PHE 57 HZ PHE 57 -2.699 -18.222 12.134 427 H ILE 58 H ILE 58 -4.780 -16.158 4.659 428 HA ILE 58 HA ILE 58 -7.272 -15.686 3.369 429 HB ILE 58 HB ILE 58 -4.497 -16.208 2.334 430 HG12 ILE 58 2HG1 ILE 58 -6.255 -13.784 1.972 431 HG13 ILE 58 3HG1 ILE 58 -5.218 -13.988 3.379 432 HG21 ILE 58 1HG2 ILE 58 -5.763 -17.180 0.633 433 HG22 ILE 58 2HG2 ILE 58 -7.064 -16.002 0.801 434 HG23 ILE 58 3HG2 ILE 58 -5.526 -15.521 0.085 435 HD11 ILE 58 3HD1 ILE 58 -3.595 -13.040 2.218 436 HD12 ILE 58 1HD1 ILE 58 -3.574 -14.465 1.180 437 HD13 ILE 58 2HD1 ILE 58 -4.562 -13.070 0.743 438 H GLU 59 H GLU 59 -8.657 -17.054 2.423 439 HA GLU 59 HA GLU 59 -8.007 -19.912 2.499 440 HB2 GLU 59 2HB GLU 59 -10.682 -18.541 2.167 441 HB3 GLU 59 3HB GLU 59 -10.430 -20.276 2.298 442 HG2 GLU 59 2HG GLU 59 -9.689 -20.076 4.551 443 HG3 GLU 59 3HG GLU 59 -9.647 -18.318 4.440 444 H GLU 60 H GLU 60 -9.081 -21.225 0.703 445 HA GLU 60 HA GLU 60 -7.899 -20.681 -1.724 446 HB2 GLU 60 2HB GLU 60 -8.895 -22.870 -0.977 447 HB3 GLU 60 3HB GLU 60 -10.475 -22.222 -1.395 448 HG2 GLU 60 2HG GLU 60 -8.415 -22.076 -3.497 449 HG3 GLU 60 3HG GLU 60 -8.977 -23.689 -3.062 450 H GLU 61 H GLU 61 -10.879 -19.461 -0.440 451 HA GLU 61 HA GLU 61 -12.080 -18.642 -2.866 452 HB2 GLU 61 2HB GLU 61 -12.410 -17.450 -0.107 453 HB3 GLU 61 3HB GLU 61 -13.498 -17.223 -1.469 454 HG2 GLU 61 2HG GLU 61 -13.948 -19.656 -1.458 455 HG3 GLU 61 3HG GLU 61 -12.951 -19.797 -0.011 456 H GLU 62 H GLU 62 -10.056 -16.913 -0.511 457 HA GLU 62 HA GLU 62 -9.929 -14.586 -2.248 458 HB2 GLU 62 2HB GLU 62 -9.495 -15.121 0.558 459 HB3 GLU 62 3HB GLU 62 -8.124 -14.257 -0.124 460 HG2 GLU 62 2HG GLU 62 -9.763 -12.726 0.805 461 HG3 GLU 62 3HG GLU 62 -9.604 -12.511 -0.937 462 H LEU 63 H LEU 63 -8.353 -17.486 -2.058 463 HA LEU 63 HA LEU 63 -5.668 -16.586 -2.557 464 HB2 LEU 63 2HB LEU 63 -6.564 -18.846 -1.555 465 HB3 LEU 63 3HB LEU 63 -6.602 -19.331 -3.249 466 HG LEU 63 HG LEU 63 -4.168 -18.767 -3.381 467 HD11 LEU 63 1HD1 LEU 63 -4.691 -17.671 -0.817 468 HD12 LEU 63 2HD1 LEU 63 -3.183 -17.669 -1.731 469 HD13 LEU 63 3HD1 LEU 63 -3.541 -18.995 -0.626 470 HD21 LEU 63 3HD2 LEU 63 -3.698 -20.905 -2.918 471 HD22 LEU 63 1HD2 LEU 63 -5.410 -21.045 -2.519 472 HD23 LEU 63 2HD2 LEU 63 -4.228 -20.758 -1.242 473 H GLN 64 H GLN 64 -8.466 -17.359 -4.456 474 HA GLN 64 HA GLN 64 -7.143 -17.795 -6.929 475 HB2 GLN 64 2HB GLN 64 -9.280 -17.775 -7.918 476 HB3 GLN 64 3HB GLN 64 -9.533 -18.434 -6.307 477 HG2 GLN 64 2HG GLN 64 -10.319 -16.257 -5.536 478 HG3 GLN 64 3HG GLN 64 -10.062 -15.593 -7.148 479 HE21 GLN 64 1HE2 GLN 64 -12.088 -17.514 -5.133 480 HE22 GLN 64 2HE2 GLN 64 -13.373 -17.737 -6.266 481 H LEU 65 H LEU 65 -7.313 -15.076 -5.078 482 HA LEU 65 HA LEU 65 -7.361 -13.243 -7.371 483 HB2 LEU 65 2HB LEU 65 -7.234 -12.356 -4.520 484 HB3 LEU 65 3HB LEU 65 -7.903 -11.519 -5.919 485 HG LEU 65 HG LEU 65 -9.165 -13.955 -4.672 486 HD11 LEU 65 1HD1 LEU 65 -10.787 -12.339 -3.705 487 HD12 LEU 65 2HD1 LEU 65 -9.704 -11.032 -4.181 488 HD13 LEU 65 3HD1 LEU 65 -9.171 -12.234 -3.006 489 HD21 LEU 65 3HD2 LEU 65 -10.760 -12.009 -6.179 490 HD22 LEU 65 1HD2 LEU 65 -10.782 -13.772 -6.217 491 HD23 LEU 65 2HD2 LEU 65 -9.565 -12.885 -7.136 492 H PHE 66 H PHE 66 -5.127 -15.072 -6.298 493 HA PHE 66 HA PHE 66 -3.067 -13.426 -5.297 494 HB2 PHE 66 2HB PHE 66 -2.936 -15.829 -5.056 495 HB3 PHE 66 3HB PHE 66 -2.946 -16.044 -6.803 496 HD1 PHE 66 HD1 PHE 66 -0.954 -15.050 -3.904 497 HD2 PHE 66 HD2 PHE 66 -0.969 -15.632 -8.120 498 HE1 PHE 66 HE1 PHE 66 1.505 -14.961 -3.921 499 HE2 PHE 66 HE2 PHE 66 1.490 -15.546 -8.144 500 HZ PHE 66 HZ PHE 66 2.730 -15.211 -6.043 501 H LEU 67 H LEU 67 -4.346 -13.876 -8.459 502 HA LEU 67 HA LEU 67 -2.001 -12.789 -9.786 503 HB2 LEU 67 2HB LEU 67 -4.605 -13.936 -10.664 504 HB3 LEU 67 3HB LEU 67 -3.731 -12.877 -11.768 505 HG LEU 67 HG LEU 67 -2.606 -15.406 -10.568 506 HD11 LEU 67 1HD1 LEU 67 -4.546 -15.190 -12.540 507 HD12 LEU 67 2HD1 LEU 67 -3.523 -16.588 -12.210 508 HD13 LEU 67 3HD1 LEU 67 -3.037 -15.407 -13.426 509 HD21 LEU 67 3HD2 LEU 67 -1.043 -15.003 -12.619 510 HD22 LEU 67 1HD2 LEU 67 -0.758 -14.143 -11.106 511 HD23 LEU 67 2HD2 LEU 67 -1.569 -13.327 -12.444 512 H LYS 68 H LYS 68 -4.791 -11.628 -8.276 513 HA LYS 68 HA LYS 68 -5.058 -9.242 -9.893 514 HB2 LYS 68 2HB LYS 68 -6.350 -9.977 -7.259 515 HB3 LYS 68 3HB LYS 68 -6.786 -8.601 -8.264 516 HG2 LYS 68 2HG LYS 68 -6.874 -11.333 -9.443 517 HG3 LYS 68 3HG LYS 68 -8.165 -10.818 -8.354 518 HD2 LYS 68 2HD LYS 68 -7.634 -8.719 -10.212 519 HD3 LYS 68 3HD LYS 68 -7.847 -10.227 -11.104 520 HE2 LYS 68 2HE LYS 68 -10.013 -9.415 -10.943 521 HE3 LYS 68 3HE LYS 68 -9.922 -10.550 -9.596 522 HZ1 LYS 68 3HZ LYS 68 -9.656 -8.781 -8.070 523 HZ2 LYS 68 1HZ LYS 68 -10.947 -8.347 -9.074 524 HZ3 LYS 68 2HZ LYS 68 -9.426 -7.642 -9.299 525 H ASN 69 H ASN 69 -3.217 -10.268 -7.208 526 HA ASN 69 HA ASN 69 -2.755 -7.564 -6.227 527 HB2 ASN 69 2HB ASN 69 -1.287 -9.991 -5.243 528 HB3 ASN 69 3HB ASN 69 -1.728 -8.529 -4.365 529 HD21 ASN 69 1HD2 ASN 69 -2.295 -11.640 -4.367 530 HD22 ASN 69 2HD2 ASN 69 -3.961 -11.690 -3.913 531 H PHE 70 H PHE 70 -1.456 -9.702 -8.504 532 HA PHE 70 HA PHE 70 1.133 -8.300 -8.477 533 HB2 PHE 70 2HB PHE 70 0.356 -11.019 -9.532 534 HB3 PHE 70 3HB PHE 70 1.890 -10.247 -9.923 535 HD1 PHE 70 HD2 PHE 70 -0.180 -11.048 -6.922 536 HD2 PHE 70 HD1 PHE 70 3.705 -10.802 -8.642 537 HE1 PHE 70 HE2 PHE 70 0.792 -11.942 -4.846 538 HE2 PHE 70 HE1 PHE 70 4.684 -11.697 -6.570 539 HZ PHE 70 HZ PHE 70 3.227 -12.267 -4.668 540 H SER 71 H SER 71 -1.489 -9.427 -10.565 541 HA SER 71 HA SER 71 -0.579 -7.506 -12.608 542 HB2 SER 71 2HB SER 71 -2.102 -9.218 -14.053 543 HB3 SER 71 3HB SER 71 -0.359 -9.395 -13.857 544 HG SER 71 HG SER 71 -1.495 -11.331 -13.377 545 H SER 72 H SER 72 -2.436 -6.865 -14.110 546 HA SER 72 HA SER 72 -4.893 -6.472 -12.530 547 HB2 SER 72 2HB SER 72 -3.341 -4.431 -12.839 548 HB3 SER 72 3HB SER 72 -3.882 -4.447 -14.517 549 HG SER 72 HG SER 72 -5.100 -3.129 -12.890 550 H SER 73 H SER 73 -4.027 -8.383 -14.732 551 HA SER 73 HA SER 73 -6.275 -7.823 -16.555 552 HB2 SER 73 2HB SER 73 -4.005 -7.573 -17.621 553 HB3 SER 73 3HB SER 73 -3.740 -9.289 -17.314 554 HG SER 73 HG SER 73 -5.036 -8.160 -19.340 555 H ALA 74 H ALA 74 -4.338 -10.275 -14.921 556 HA ALA 74 HA ALA 74 -5.898 -12.499 -15.754 557 HB1 ALA 74 1HB ALA 74 -3.750 -13.052 -15.057 558 HB2 ALA 74 2HB ALA 74 -3.866 -12.072 -13.595 559 HB3 ALA 74 3HB ALA 74 -4.762 -13.586 -13.714 560 H ARG 75 H ARG 75 -7.994 -12.658 -15.278 561 HA ARG 75 HA ARG 75 -9.430 -11.374 -13.336 562 HB2 ARG 75 2HB ARG 75 -10.877 -13.614 -13.465 563 HB3 ARG 75 3HB ARG 75 -10.839 -12.440 -14.774 564 HG2 ARG 75 2HG ARG 75 -9.738 -13.825 -16.166 565 HG3 ARG 75 3HG ARG 75 -8.765 -14.526 -14.871 566 HD2 ARG 75 2HD ARG 75 -11.534 -15.220 -14.532 567 HD3 ARG 75 3HD ARG 75 -10.989 -15.657 -16.151 568 HE ARG 75 HE ARG 75 -10.223 -16.888 -13.681 569 HH11 ARG 75 1HH1 ARG 75 -9.213 -16.203 -16.942 570 HH12 ARG 75 2HH1 ARG 75 -8.116 -17.541 -17.022 571 HH21 ARG 75 1HH2 ARG 75 -8.782 -18.653 -13.774 572 HH22 ARG 75 2HH2 ARG 75 -7.872 -18.935 -15.220 573 H VAL 76 H VAL 76 -8.814 -14.859 -13.005 574 HA VAL 76 HA VAL 76 -7.759 -14.522 -10.333 575 HB VAL 76 HB VAL 76 -9.507 -16.172 -9.424 576 HG11 VAL 76 1HG1 VAL 76 -9.247 -13.683 -8.922 577 HG12 VAL 76 2HG1 VAL 76 -10.596 -13.440 -10.033 578 HG13 VAL 76 3HG1 VAL 76 -10.814 -14.416 -8.580 579 HG21 VAL 76 3HG2 VAL 76 -11.053 -15.068 -11.769 580 HG22 VAL 76 1HG2 VAL 76 -10.518 -16.738 -11.579 581 HG23 VAL 76 2HG2 VAL 76 -11.710 -16.062 -10.469 582 H LEU 77 H LEU 77 -7.063 -16.576 -9.381 583 HA LEU 77 HA LEU 77 -5.557 -18.133 -11.078 584 HB2 LEU 77 2HB LEU 77 -6.746 -19.004 -8.448 585 HB3 LEU 77 3HB LEU 77 -5.349 -19.723 -9.248 586 HG LEU 77 HG LEU 77 -5.559 -17.093 -7.823 587 HD11 LEU 77 1HD1 LEU 77 -3.315 -18.060 -6.959 588 HD12 LEU 77 2HD1 LEU 77 -3.929 -19.587 -7.593 589 HD13 LEU 77 3HD1 LEU 77 -4.834 -18.720 -6.353 590 HD21 LEU 77 3HD2 LEU 77 -3.443 -17.914 -9.809 591 HD22 LEU 77 1HD2 LEU 77 -3.310 -16.556 -8.692 592 HD23 LEU 77 2HD2 LEU 77 -4.550 -16.546 -9.946 593 H THR 78 H THR 78 -5.756 -20.489 -11.508 594 HA THR 78 HA THR 78 -8.546 -21.223 -12.117 595 HB THR 78 HB THR 78 -7.097 -20.643 -14.123 596 HG1 THR 78 HG1 THR 78 -7.815 -22.657 -15.218 597 HG21 THR 78 3HG2 THR 78 -5.141 -22.012 -13.018 598 HG22 THR 78 1HG2 THR 78 -5.330 -21.967 -14.770 599 HG23 THR 78 2HG2 THR 78 -5.902 -23.363 -13.856 600 H SER 79 H SER 79 -8.194 -23.787 -12.964 601 HA SER 79 HA SER 79 -7.796 -25.163 -10.481 602 HB2 SER 79 2HB SER 79 -8.392 -26.213 -13.258 603 HB3 SER 79 3HB SER 79 -8.404 -27.189 -11.789 604 HG SER 79 HG SER 79 -10.435 -25.996 -12.723 605 H ALA 80 H ALA 80 -5.440 -24.170 -10.686 606 HA ALA 80 HA ALA 80 -3.670 -26.339 -10.827 607 HB1 ALA 80 1HB ALA 80 -2.539 -24.760 -12.895 608 HB2 ALA 80 2HB ALA 80 -3.051 -26.447 -12.952 609 HB3 ALA 80 3HB ALA 80 -4.193 -25.165 -13.356 610 H GLU 81 H GLU 81 -4.052 -22.844 -11.099 611 HA GLU 81 HA GLU 81 -1.450 -22.283 -10.007 612 HB2 GLU 81 2HB GLU 81 -3.818 -20.447 -10.416 613 HB3 GLU 81 3HB GLU 81 -2.178 -19.940 -10.039 614 HG2 GLU 81 2HG GLU 81 -1.564 -21.232 -12.207 615 HG3 GLU 81 3HG GLU 81 -3.278 -21.050 -12.578 616 H THR 82 H THR 82 -4.796 -21.935 -8.842 617 HA THR 82 HA THR 82 -4.145 -21.036 -6.261 618 HB THR 82 HB THR 82 -6.569 -22.686 -6.416 619 HG1 THR 82 HG1 THR 82 -7.598 -21.269 -7.896 620 HG21 THR 82 3HG2 THR 82 -6.748 -19.778 -6.041 621 HG22 THR 82 1HG2 THR 82 -5.693 -20.605 -4.895 622 HG23 THR 82 2HG2 THR 82 -7.382 -21.090 -5.048 623 H LYS 83 H LYS 83 -4.535 -24.275 -7.592 624 HA LYS 83 HA LYS 83 -4.377 -25.622 -5.082 625 HB2 LYS 83 2HB LYS 83 -3.814 -26.716 -7.843 626 HB3 LYS 83 3HB LYS 83 -4.170 -27.655 -6.399 627 HG2 LYS 83 2HG LYS 83 -6.380 -26.253 -6.401 628 HG3 LYS 83 3HG LYS 83 -5.993 -26.039 -8.110 629 HD2 LYS 83 2HD LYS 83 -5.996 -28.403 -8.476 630 HD3 LYS 83 3HD LYS 83 -6.123 -28.725 -6.745 631 HE2 LYS 83 2HE LYS 83 -8.334 -27.673 -6.718 632 HE3 LYS 83 3HE LYS 83 -8.204 -27.353 -8.447 633 HZ1 LYS 83 3HZ LYS 83 -8.315 -29.626 -8.939 634 HZ2 LYS 83 1HZ LYS 83 -9.504 -29.390 -7.759 635 HZ3 LYS 83 2HZ LYS 83 -8.024 -30.091 -7.339 636 H ALA 84 H ALA 84 -2.050 -25.031 -7.703 637 HA ALA 84 HA ALA 84 0.121 -26.339 -6.431 638 HB1 ALA 84 1HB ALA 84 0.374 -24.147 -8.473 639 HB2 ALA 84 2HB ALA 84 1.471 -25.496 -8.170 640 HB3 ALA 84 3HB ALA 84 -0.110 -25.791 -8.894 641 H PHE 85 H PHE 85 -1.441 -23.461 -5.718 642 HA PHE 85 HA PHE 85 0.951 -22.262 -4.511 643 HB2 PHE 85 2HB PHE 85 -0.473 -20.852 -6.012 644 HB3 PHE 85 3HB PHE 85 -1.788 -21.028 -4.854 645 HD1 PHE 85 HD1 PHE 85 1.684 -19.775 -5.213 646 HD2 PHE 85 HD2 PHE 85 -1.964 -19.592 -3.028 647 HE1 PHE 85 HE1 PHE 85 2.535 -17.835 -3.962 648 HE2 PHE 85 HE2 PHE 85 -1.119 -17.651 -1.774 649 HZ PHE 85 HZ PHE 85 1.133 -16.770 -2.241 650 H LEU 86 H LEU 86 -2.414 -23.109 -3.746 651 HA LEU 86 HA LEU 86 -2.240 -22.512 -0.989 652 HB2 LEU 86 2HB LEU 86 -4.294 -22.946 -2.555 653 HB3 LEU 86 3HB LEU 86 -4.081 -24.616 -2.033 654 HG LEU 86 HG LEU 86 -4.300 -22.469 0.028 655 HD11 LEU 86 1HD1 LEU 86 -6.863 -23.623 -0.501 656 HD12 LEU 86 2HD1 LEU 86 -6.255 -22.837 -1.958 657 HD13 LEU 86 3HD1 LEU 86 -6.392 -21.924 -0.456 658 HD21 LEU 86 3HD2 LEU 86 -4.709 -24.177 1.439 659 HD22 LEU 86 1HD2 LEU 86 -3.914 -25.134 0.188 660 HD23 LEU 86 2HD2 LEU 86 -5.675 -25.063 0.258 661 H ALA 87 H ALA 87 -2.190 -25.650 -2.684 662 HA ALA 87 HA ALA 87 -1.580 -27.178 -0.391 663 HB1 ALA 87 1HB ALA 87 -1.154 -28.995 -1.901 664 HB2 ALA 87 2HB ALA 87 -2.548 -28.088 -2.488 665 HB3 ALA 87 3HB ALA 87 -0.975 -27.883 -3.258 666 H ALA 88 H ALA 88 0.322 -25.074 -2.245 667 HA ALA 88 HA ALA 88 2.831 -26.387 -1.510 668 HB1 ALA 88 1HB ALA 88 3.910 -24.789 -2.979 669 HB2 ALA 88 2HB ALA 88 2.574 -25.578 -3.817 670 HB3 ALA 88 3HB ALA 88 2.384 -23.934 -3.206 671 H GLY 89 H GLY 89 0.848 -23.639 -0.712 672 HA2 GLY 89 2HA GLY 89 2.966 -22.476 0.944 673 HA3 GLY 89 3HA GLY 89 1.419 -21.731 0.568 674 H ASP 90 H ASP 90 -0.482 -23.285 1.385 675 HA ASP 90 HA ASP 90 -0.579 -23.061 4.134 676 HB2 ASP 90 2HB ASP 90 -2.648 -23.337 3.081 677 HB3 ASP 90 3HB ASP 90 -2.110 -24.753 2.182 678 H THR 91 H THR 91 0.970 -23.905 5.403 679 HA THR 91 HA THR 91 1.552 -26.782 5.131 680 HB THR 91 HB THR 91 3.623 -26.109 6.571 681 HG1 THR 91 HG1 THR 91 3.027 -23.628 5.296 682 HG21 THR 91 3HG2 THR 91 4.672 -25.205 4.287 683 HG22 THR 91 1HG2 THR 91 3.151 -25.834 3.655 684 HG23 THR 91 2HG2 THR 91 4.251 -26.900 4.529 685 H ASP 92 H ASP 92 1.194 -24.170 7.518 686 HA ASP 92 HA ASP 92 0.405 -26.206 9.497 687 HB2 ASP 92 2HB ASP 92 1.085 -24.526 11.222 688 HB3 ASP 92 3HB ASP 92 2.417 -25.098 10.221 689 H GLY 93 H GLY 93 -1.485 -25.317 7.692 690 HA2 GLY 93 2HA GLY 93 -3.263 -23.797 9.479 691 HA3 GLY 93 3HA GLY 93 -3.096 -23.308 7.799 692 H ASP 94 H ASP 94 -5.549 -23.719 8.247 693 HA ASP 94 HA ASP 94 -6.130 -26.489 7.425 694 HB2 ASP 94 2HB ASP 94 -6.939 -25.907 9.728 695 HB3 ASP 94 3HB ASP 94 -7.975 -24.684 8.998 696 H GLY 95 H GLY 95 -5.997 -25.935 5.219 697 HA2 GLY 95 2HA GLY 95 -6.940 -25.382 3.197 698 HA3 GLY 95 3HA GLY 95 -8.439 -25.081 4.064 699 H LYS 96 H LYS 96 -5.483 -23.402 4.851 700 HA LYS 96 HA LYS 96 -6.124 -21.090 3.251 701 HB2 LYS 96 2HB LYS 96 -6.316 -19.573 5.224 702 HB3 LYS 96 3HB LYS 96 -7.666 -20.687 5.050 703 HG2 LYS 96 2HG LYS 96 -6.270 -22.164 6.696 704 HG3 LYS 96 3HG LYS 96 -5.510 -20.624 7.102 705 HD2 LYS 96 2HD LYS 96 -7.613 -19.674 7.733 706 HD3 LYS 96 3HD LYS 96 -8.491 -21.075 7.113 707 HE2 LYS 96 2HE LYS 96 -7.479 -22.485 8.816 708 HE3 LYS 96 3HE LYS 96 -6.536 -21.119 9.411 709 HZ1 LYS 96 3HZ LYS 96 -9.001 -20.125 9.550 710 HZ2 LYS 96 1HZ LYS 96 -8.248 -20.933 10.831 711 HZ3 LYS 96 2HZ LYS 96 -9.333 -21.760 9.832 712 H ILE 97 H ILE 97 -4.586 -19.220 3.896 713 HA ILE 97 HA ILE 97 -2.018 -20.276 4.850 714 HB ILE 97 HB ILE 97 -2.426 -18.695 2.312 715 HG12 ILE 97 2HG1 ILE 97 -1.285 -21.448 2.834 716 HG13 ILE 97 3HG1 ILE 97 -2.829 -21.093 2.068 717 HG21 ILE 97 1HG2 ILE 97 0.022 -18.760 2.086 718 HG22 ILE 97 2HG2 ILE 97 -0.494 -17.837 3.496 719 HG23 ILE 97 3HG2 ILE 97 0.138 -19.472 3.695 720 HD11 ILE 97 3HD1 ILE 97 -0.113 -20.390 0.981 721 HD12 ILE 97 1HD1 ILE 97 -1.152 -21.704 0.428 722 HD13 ILE 97 2HD1 ILE 97 -1.658 -20.028 0.211 723 H GLY 98 H GLY 98 -0.702 -18.813 5.909 724 HA2 GLY 98 2HA GLY 98 -1.937 -16.179 6.432 725 HA3 GLY 98 3HA GLY 98 -1.030 -17.090 7.630 726 H VAL 99 H VAL 99 0.931 -16.326 8.000 727 HA VAL 99 HA VAL 99 2.305 -14.880 5.832 728 HB VAL 99 HB VAL 99 3.663 -14.284 8.176 729 HG11 VAL 99 1HG1 VAL 99 3.107 -12.105 7.685 730 HG12 VAL 99 2HG1 VAL 99 2.805 -12.893 6.135 731 HG13 VAL 99 3HG1 VAL 99 1.459 -12.519 7.213 732 HG21 VAL 99 3HG2 VAL 99 1.913 -13.504 9.720 733 HG22 VAL 99 1HG2 VAL 99 0.692 -14.264 8.700 734 HG23 VAL 99 2HG2 VAL 99 1.893 -15.257 9.525 735 H GLU 100 H GLU 100 3.069 -16.833 8.722 736 HA GLU 100 HA GLU 100 5.698 -17.443 8.053 737 HB2 GLU 100 2HB GLU 100 3.743 -18.350 9.976 738 HB3 GLU 100 3HB GLU 100 4.692 -19.703 9.378 739 HG2 GLU 100 2HG GLU 100 6.706 -18.098 9.854 740 HG3 GLU 100 3HG GLU 100 5.554 -17.325 10.941 741 H GLU 101 H GLU 101 2.697 -18.880 6.977 742 HA GLU 101 HA GLU 101 4.044 -21.084 5.658 743 HB2 GLU 101 2HB GLU 101 1.138 -20.267 5.509 744 HB3 GLU 101 3HB GLU 101 1.824 -21.799 4.986 745 HG2 GLU 101 2HG GLU 101 2.240 -22.489 7.191 746 HG3 GLU 101 3HG GLU 101 1.997 -20.864 7.830 747 H PHE 102 H PHE 102 3.347 -17.872 4.963 748 HA PHE 102 HA PHE 102 3.010 -18.232 2.106 749 HB2 PHE 102 2HB PHE 102 1.811 -16.425 3.295 750 HB3 PHE 102 3HB PHE 102 3.356 -15.692 3.714 751 HD1 PHE 102 HD1 PHE 102 0.995 -16.392 0.999 752 HD2 PHE 102 HD2 PHE 102 4.630 -14.469 2.095 753 HE1 PHE 102 HE1 PHE 102 0.962 -15.132 -1.115 754 HE2 PHE 102 HE2 PHE 102 4.603 -13.205 -0.016 755 HZ PHE 102 HZ PHE 102 2.766 -13.536 -1.624 756 H GLN 103 H GLN 103 5.295 -16.284 4.035 757 HA GLN 103 HA GLN 103 7.182 -15.903 2.041 758 HB2 GLN 103 2HB GLN 103 8.791 -15.487 3.898 759 HB3 GLN 103 3HB GLN 103 7.273 -14.616 4.070 760 HG2 GLN 103 2HG GLN 103 6.502 -16.163 5.726 761 HG3 GLN 103 3HG GLN 103 7.899 -17.206 5.465 762 HE21 GLN 103 1HE2 GLN 103 9.784 -16.763 6.478 763 HE22 GLN 103 2HE2 GLN 103 10.002 -15.460 7.592 764 H SER 104 H SER 104 6.767 -18.600 4.256 765 HA SER 104 HA SER 104 9.196 -19.905 3.886 766 HB2 SER 104 2HB SER 104 7.736 -20.696 5.596 767 HB3 SER 104 3HB SER 104 6.429 -20.978 4.446 768 HG SER 104 HG SER 104 8.820 -22.435 4.799 769 H LEU 105 H LEU 105 6.569 -19.481 1.716 770 HA LEU 105 HA LEU 105 7.423 -21.662 -0.021 771 HB2 LEU 105 2HB LEU 105 5.038 -21.326 0.310 772 HB3 LEU 105 3HB LEU 105 5.174 -19.672 -0.283 773 HG LEU 105 HG LEU 105 5.953 -21.939 -2.066 774 HD11 LEU 105 1HD1 LEU 105 3.916 -22.830 -1.904 775 HD12 LEU 105 2HD1 LEU 105 3.352 -21.393 -2.756 776 HD13 LEU 105 3HD1 LEU 105 3.289 -21.455 -0.995 777 HD21 LEU 105 3HD2 LEU 105 5.816 -19.160 -2.296 778 HD22 LEU 105 1HD2 LEU 105 4.433 -19.772 -3.203 779 HD23 LEU 105 2HD2 LEU 105 6.060 -20.330 -3.594 780 H VAL 106 H VAL 106 7.048 -18.128 -0.147 781 HA VAL 106 HA VAL 106 8.061 -17.737 -2.723 782 HB VAL 106 HB VAL 106 8.089 -15.923 -0.314 783 HG11 VAL 106 1HG1 VAL 106 9.835 -15.055 -1.591 784 HG12 VAL 106 2HG1 VAL 106 9.039 -15.444 -3.117 785 HG13 VAL 106 3HG1 VAL 106 8.433 -14.124 -2.117 786 HG21 VAL 106 3HG2 VAL 106 6.353 -14.754 -1.847 787 HG22 VAL 106 1HG2 VAL 106 6.275 -16.317 -2.661 788 HG23 VAL 106 2HG2 VAL 106 5.875 -16.194 -0.947 789 H LYS 107 H LYS 107 9.785 -17.189 0.355 790 HA LYS 107 HA LYS 107 12.317 -16.831 -0.739 791 HB2 LYS 107 2HB LYS 107 13.178 -17.115 1.458 792 HB3 LYS 107 3HB LYS 107 11.593 -16.374 1.639 793 HG2 LYS 107 2HG LYS 107 10.828 -18.886 1.877 794 HG3 LYS 107 3HG LYS 107 12.510 -19.102 2.367 795 HD2 LYS 107 2HD LYS 107 10.857 -16.914 3.568 796 HD3 LYS 107 3HD LYS 107 10.708 -18.569 4.164 797 HE2 LYS 107 2HE LYS 107 13.328 -18.434 4.249 798 HE3 LYS 107 3HE LYS 107 13.027 -16.698 4.297 799 HZ1 LYS 107 3HZ LYS 107 11.899 -18.688 6.191 800 HZ2 LYS 107 1HZ LYS 107 11.649 -17.016 6.245 801 HZ3 LYS 107 2HZ LYS 107 13.194 -17.648 6.517 802 H ALA 108 H ALA 108 10.474 -19.702 -0.348 803 HA ALA 108 HA ALA 108 12.816 -21.423 -0.680 804 HB1 ALA 108 1HB ALA 108 11.007 -21.951 0.993 805 HB2 ALA 108 2HB ALA 108 9.954 -22.300 -0.378 806 HB3 ALA 108 3HB ALA 108 11.416 -23.252 -0.125 Start of MODEL 3 1 H1 ALA 1 H ALA 1 1.100 0.923 -4.206 2 HA ALA 1 HA ALA 1 1.816 1.113 -1.425 3 HB1 ALA 1 1HB ALA 1 0.027 -1.057 -1.936 4 HB2 ALA 1 2HB ALA 1 -0.290 0.481 -1.132 5 HB3 ALA 1 3HB ALA 1 -0.469 0.347 -2.881 6 H ILE 2 H ILE 2 2.102 -1.305 -3.988 7 HA ILE 2 HA ILE 2 3.499 -3.118 -2.171 8 HB ILE 2 HB ILE 2 1.774 -4.044 -3.683 9 HG12 ILE 2 2HG1 ILE 2 3.287 -5.854 -4.685 10 HG13 ILE 2 3HG1 ILE 2 4.633 -4.946 -4.004 11 HG21 ILE 2 1HG2 ILE 2 1.838 -3.907 -5.961 12 HG22 ILE 2 2HG2 ILE 2 2.604 -2.373 -5.551 13 HG23 ILE 2 3HG2 ILE 2 3.594 -3.758 -6.014 14 HD11 ILE 2 3HD1 ILE 2 2.366 -6.240 -2.515 15 HD12 ILE 2 1HD1 ILE 2 4.068 -6.698 -2.497 16 HD13 ILE 2 2HD1 ILE 2 3.557 -5.174 -1.771 17 H THR 3 H THR 3 4.064 -1.053 -4.937 18 HA THR 3 HA THR 3 6.549 -1.970 -5.777 19 HB THR 3 HB THR 3 6.955 0.317 -6.623 20 HG1 THR 3 HG1 THR 3 4.797 0.872 -4.900 21 HG21 THR 3 3HG2 THR 3 4.240 0.271 -7.457 22 HG22 THR 3 1HG2 THR 3 4.777 -1.397 -7.264 23 HG23 THR 3 2HG2 THR 3 5.662 -0.302 -8.326 24 H ASP 4 H ASP 4 5.674 -0.196 -2.933 25 HA ASP 4 HA ASP 4 8.141 0.969 -2.289 26 HB2 ASP 4 2HB ASP 4 5.760 0.113 -0.680 27 HB3 ASP 4 3HB ASP 4 7.217 0.670 0.138 28 H ILE 5 H ILE 5 7.123 -2.303 -2.257 29 HA ILE 5 HA ILE 5 9.545 -3.057 -0.754 30 HB ILE 5 HB ILE 5 7.332 -5.016 -1.077 31 HG12 ILE 5 2HG1 ILE 5 7.270 -2.706 0.874 32 HG13 ILE 5 3HG1 ILE 5 6.105 -3.032 -0.404 33 HG21 ILE 5 1HG2 ILE 5 9.614 -5.382 0.035 34 HG22 ILE 5 2HG2 ILE 5 8.964 -4.429 1.368 35 HG23 ILE 5 3HG2 ILE 5 8.178 -5.935 0.896 36 HD11 ILE 5 3HD1 ILE 5 5.103 -3.721 1.608 37 HD12 ILE 5 1HD1 ILE 5 5.601 -5.197 0.781 38 HD13 ILE 5 2HD1 ILE 5 6.556 -4.575 2.128 39 H LEU 6 H LEU 6 7.370 -4.056 -3.382 40 HA LEU 6 HA LEU 6 9.493 -5.739 -4.487 41 HB2 LEU 6 2HB LEU 6 6.559 -5.650 -4.685 42 HB3 LEU 6 3HB LEU 6 7.401 -6.061 -6.177 43 HG LEU 6 HG LEU 6 8.379 -7.998 -5.175 44 HD11 LEU 6 1HD1 LEU 6 7.616 -8.538 -2.758 45 HD12 LEU 6 2HD1 LEU 6 7.373 -6.797 -2.630 46 HD13 LEU 6 3HD1 LEU 6 8.971 -7.438 -3.014 47 HD21 LEU 6 3HD2 LEU 6 5.510 -7.920 -4.265 48 HD22 LEU 6 1HD2 LEU 6 6.447 -9.324 -4.775 49 HD23 LEU 6 2HD2 LEU 6 5.994 -8.092 -5.952 50 H SER 7 H SER 7 9.173 -5.733 -7.100 51 HA SER 7 HA SER 7 9.543 -2.921 -7.906 52 HB2 SER 7 2HB SER 7 11.144 -5.353 -8.432 53 HB3 SER 7 3HB SER 7 10.907 -4.284 -9.814 54 HG SER 7 HG SER 7 12.236 -2.916 -8.944 55 H ALA 8 H ALA 8 8.070 -2.191 -9.273 56 HA ALA 8 HA ALA 8 6.069 -3.807 -10.423 57 HB1 ALA 8 1HB ALA 8 6.161 -1.428 -11.896 58 HB2 ALA 8 2HB ALA 8 5.129 -1.799 -10.514 59 HB3 ALA 8 3HB ALA 8 6.685 -1.007 -10.265 60 H LYS 9 H LYS 9 9.232 -2.945 -11.482 61 HA LYS 9 HA LYS 9 8.716 -3.577 -14.265 62 HB2 LYS 9 2HB LYS 9 10.437 -1.860 -13.218 63 HB3 LYS 9 3HB LYS 9 11.478 -3.277 -13.172 64 HG2 LYS 9 2HG LYS 9 11.226 -3.572 -15.566 65 HG3 LYS 9 3HG LYS 9 10.121 -2.197 -15.634 66 HD2 LYS 9 2HD LYS 9 12.065 -0.868 -14.581 67 HD3 LYS 9 3HD LYS 9 13.072 -2.224 -15.094 68 HE2 LYS 9 2HE LYS 9 11.333 -0.507 -16.863 69 HE3 LYS 9 3HE LYS 9 13.093 -0.466 -16.770 70 HZ1 LYS 9 3HZ LYS 9 11.365 -2.594 -17.873 71 HZ2 LYS 9 1HZ LYS 9 12.970 -2.901 -17.434 72 HZ3 LYS 9 2HZ LYS 9 12.624 -1.759 -18.633 73 H ASP 10 H ASP 10 9.158 -5.359 -11.532 74 HA ASP 10 HA ASP 10 10.457 -7.557 -13.003 75 HB2 ASP 10 2HB ASP 10 10.397 -7.013 -10.028 76 HB3 ASP 10 3HB ASP 10 11.070 -8.465 -10.764 77 H ILE 11 H ILE 11 7.773 -6.609 -10.965 78 HA ILE 11 HA ILE 11 6.660 -9.131 -10.473 79 HB ILE 11 HB ILE 11 5.269 -6.468 -10.781 80 HG12 ILE 11 2HG1 ILE 11 5.707 -7.814 -8.160 81 HG13 ILE 11 3HG1 ILE 11 7.095 -7.050 -8.926 82 HG21 ILE 11 1HG2 ILE 11 4.281 -9.167 -9.979 83 HG22 ILE 11 2HG2 ILE 11 3.578 -7.728 -9.243 84 HG23 ILE 11 3HG2 ILE 11 3.514 -7.944 -10.992 85 HD11 ILE 11 3HD1 ILE 11 5.695 -5.698 -7.253 86 HD12 ILE 11 1HD1 ILE 11 6.171 -4.933 -8.769 87 HD13 ILE 11 2HD1 ILE 11 4.532 -5.556 -8.570 88 H GLU 12 H GLU 12 5.868 -6.781 -13.036 89 HA GLU 12 HA GLU 12 4.049 -8.491 -14.373 90 HB2 GLU 12 2HB GLU 12 3.920 -6.837 -16.031 91 HB3 GLU 12 3HB GLU 12 4.271 -5.943 -14.559 92 HG2 GLU 12 2HG GLU 12 6.684 -5.974 -15.223 93 HG3 GLU 12 3HG GLU 12 6.178 -6.649 -16.771 94 H SER 13 H SER 13 7.499 -8.131 -14.468 95 HA SER 13 HA SER 13 7.786 -9.625 -16.936 96 HB2 SER 13 2HB SER 13 9.957 -8.800 -14.999 97 HB3 SER 13 3HB SER 13 10.152 -9.266 -16.689 98 HG SER 13 HG SER 13 9.958 -7.210 -17.061 99 H ALA 14 H ALA 14 6.944 -10.514 -13.949 100 HA ALA 14 HA ALA 14 8.397 -13.075 -14.111 101 HB1 ALA 14 1HB ALA 14 8.448 -13.239 -11.761 102 HB2 ALA 14 2HB ALA 14 8.940 -11.586 -12.131 103 HB3 ALA 14 3HB ALA 14 7.303 -11.912 -11.564 104 H LEU 15 H LEU 15 5.436 -11.586 -14.422 105 HA LEU 15 HA LEU 15 3.715 -13.513 -13.247 106 HB2 LEU 15 2HB LEU 15 3.419 -11.258 -15.155 107 HB3 LEU 15 3HB LEU 15 2.130 -12.458 -15.098 108 HG LEU 15 HG LEU 15 3.069 -11.129 -12.584 109 HD11 LEU 15 1HD1 LEU 15 2.022 -9.185 -12.980 110 HD12 LEU 15 2HD1 LEU 15 0.730 -9.947 -13.907 111 HD13 LEU 15 3HD1 LEU 15 2.280 -9.599 -14.675 112 HD21 LEU 15 3HD2 LEU 15 0.767 -12.745 -13.497 113 HD22 LEU 15 1HD2 LEU 15 0.423 -11.447 -12.353 114 HD23 LEU 15 2HD2 LEU 15 1.583 -12.707 -11.933 115 H SER 16 H SER 16 4.640 -12.932 -16.641 116 HA SER 16 HA SER 16 3.621 -15.584 -17.342 117 HB2 SER 16 2HB SER 16 3.693 -13.080 -18.685 118 HB3 SER 16 3HB SER 16 4.699 -14.200 -19.604 119 HG SER 16 HG SER 16 1.978 -14.162 -19.252 120 H SER 17 H SER 17 6.153 -15.046 -15.840 121 HA SER 17 HA SER 17 8.252 -15.805 -17.683 122 HB2 SER 17 2HB SER 17 8.093 -14.961 -14.847 123 HB3 SER 17 3HB SER 17 9.413 -16.056 -15.256 124 HG SER 17 HG SER 17 9.578 -14.397 -17.138 125 H CYS 18 H CYS 18 6.244 -17.305 -15.231 126 HA CYS 18 HA CYS 18 7.558 -19.884 -15.768 127 HB2 CYS 18 2HB CYS 18 6.706 -20.645 -13.624 128 HB3 CYS 18 3HB CYS 18 7.600 -19.146 -13.405 129 HG CYS 18 HG CYS 18 4.724 -19.806 -12.241 130 H GLN 19 H GLN 19 5.631 -18.731 -17.542 131 HA GLN 19 HA GLN 19 3.491 -20.736 -17.291 132 HB2 GLN 19 2HB GLN 19 3.140 -17.954 -18.415 133 HB3 GLN 19 3HB GLN 19 1.888 -19.170 -18.207 134 HG2 GLN 19 2HG GLN 19 3.447 -17.997 -15.922 135 HG3 GLN 19 3HG GLN 19 1.919 -17.336 -16.501 136 HE21 GLN 19 1HE2 GLN 19 0.404 -19.482 -16.976 137 HE22 GLN 19 2HE2 GLN 19 0.155 -20.400 -15.535 138 H ALA 20 H ALA 20 6.144 -20.163 -18.891 139 HA ALA 20 HA ALA 20 5.022 -20.794 -21.543 140 HB1 ALA 20 1HB ALA 20 6.592 -18.706 -21.025 141 HB2 ALA 20 2HB ALA 20 7.841 -19.918 -21.309 142 HB3 ALA 20 3HB ALA 20 6.645 -19.576 -22.558 143 H ALA 21 H ALA 21 7.266 -21.775 -22.774 144 HA ALA 21 HA ALA 21 7.574 -24.351 -21.414 145 HB1 ALA 21 1HB ALA 21 7.845 -25.336 -23.468 146 HB2 ALA 21 2HB ALA 21 6.791 -23.986 -23.890 147 HB3 ALA 21 3HB ALA 21 8.524 -23.882 -24.199 148 H ASP 22 H ASP 22 9.329 -21.522 -22.259 149 HA ASP 22 HA ASP 22 11.730 -22.646 -21.051 150 HB2 ASP 22 2HB ASP 22 11.564 -21.623 -23.871 151 HB3 ASP 22 3HB ASP 22 13.068 -21.503 -22.962 152 H SER 23 H SER 23 9.639 -20.588 -20.460 153 HA SER 23 HA SER 23 11.084 -18.078 -20.558 154 HB2 SER 23 2HB SER 23 8.351 -18.918 -19.650 155 HB3 SER 23 3HB SER 23 9.005 -17.365 -19.128 156 HG SER 23 HG SER 23 9.323 -16.881 -21.371 157 H PHE 24 H PHE 24 10.377 -20.614 -18.272 158 HA PHE 24 HA PHE 24 11.492 -19.070 -16.060 159 HB2 PHE 24 2HB PHE 24 9.486 -20.328 -15.558 160 HB3 PHE 24 3HB PHE 24 10.220 -21.812 -16.159 161 HD1 PHE 24 HD2 PHE 24 11.454 -19.159 -13.847 162 HD2 PHE 24 HD1 PHE 24 10.495 -23.268 -14.406 163 HE1 PHE 24 HE2 PHE 24 12.286 -19.658 -11.585 164 HE2 PHE 24 HE1 PHE 24 11.324 -23.773 -12.145 165 HZ PHE 24 HZ PHE 24 12.222 -21.967 -10.732 166 H ASN 25 H ASN 25 13.640 -18.993 -16.979 167 HA ASN 25 HA ASN 25 15.096 -21.545 -16.809 168 HB2 ASN 25 2HB ASN 25 16.872 -19.849 -17.973 169 HB3 ASN 25 3HB ASN 25 15.753 -20.871 -18.870 170 HD21 ASN 25 1HD2 ASN 25 16.363 -17.649 -17.675 171 HD22 ASN 25 2HD2 ASN 25 15.264 -16.838 -18.734 172 H TYR 26 H TYR 26 17.445 -21.247 -16.110 173 HA TYR 26 HA TYR 26 17.574 -20.477 -13.469 174 HB2 TYR 26 2HB TYR 26 20.095 -20.400 -13.852 175 HB3 TYR 26 3HB TYR 26 19.281 -21.901 -14.275 176 HD1 TYR 26 HD2 TYR 26 20.699 -18.785 -15.698 177 HD2 TYR 26 HD1 TYR 26 19.386 -22.758 -16.469 178 HE1 TYR 26 HE2 TYR 26 21.647 -18.652 -17.964 179 HE2 TYR 26 HE1 TYR 26 20.331 -22.637 -18.736 180 HH TYR 26 HH TYR 26 21.985 -21.405 -19.978 181 H LYS 27 H LYS 27 18.013 -18.544 -16.339 182 HA LYS 27 HA LYS 27 19.197 -16.299 -15.032 183 HB2 LYS 27 2HB LYS 27 18.168 -16.926 -17.731 184 HB3 LYS 27 3HB LYS 27 18.109 -15.229 -17.273 185 HG2 LYS 27 2HG LYS 27 20.627 -15.879 -16.515 186 HG3 LYS 27 3HG LYS 27 20.406 -16.936 -17.911 187 HD2 LYS 27 2HD LYS 27 19.872 -13.967 -17.920 188 HD3 LYS 27 3HD LYS 27 21.377 -14.710 -18.468 189 HE2 LYS 27 2HE LYS 27 18.966 -15.879 -19.647 190 HE3 LYS 27 3HE LYS 27 19.206 -14.178 -20.044 191 HZ1 LYS 27 3HZ LYS 27 21.266 -16.285 -20.401 192 HZ2 LYS 27 1HZ LYS 27 21.370 -14.672 -20.901 193 HZ3 LYS 27 2HZ LYS 27 20.259 -15.714 -21.635 194 H SER 28 H SER 28 15.909 -17.237 -15.880 195 HA SER 28 HA SER 28 14.631 -14.806 -15.321 196 HB2 SER 28 2HB SER 28 13.795 -17.192 -16.286 197 HB3 SER 28 3HB SER 28 13.157 -17.285 -14.645 198 HG SER 28 HG SER 28 12.702 -15.185 -16.502 199 H PHE 29 H PHE 29 15.291 -17.603 -13.238 200 HA PHE 29 HA PHE 29 14.000 -16.728 -10.937 201 HB2 PHE 29 2HB PHE 29 14.811 -18.981 -11.055 202 HB3 PHE 29 3HB PHE 29 16.470 -18.433 -11.273 203 HD1 PHE 29 HD1 PHE 29 17.709 -17.457 -9.387 204 HD2 PHE 29 HD2 PHE 29 13.825 -19.126 -8.896 205 HE1 PHE 29 HE1 PHE 29 18.066 -17.562 -6.954 206 HE2 PHE 29 HE2 PHE 29 14.175 -19.233 -6.463 207 HZ PHE 29 HZ PHE 29 16.297 -18.450 -5.489 208 H PHE 30 H PHE 30 16.950 -15.656 -12.380 209 HA PHE 30 HA PHE 30 17.946 -14.362 -10.002 210 HB2 PHE 30 2HB PHE 30 18.824 -14.190 -12.891 211 HB3 PHE 30 3HB PHE 30 19.663 -13.424 -11.546 212 HD1 PHE 30 HD2 PHE 30 19.364 -15.636 -9.531 213 HD2 PHE 30 HD1 PHE 30 20.468 -15.682 -13.642 214 HE1 PHE 30 HE2 PHE 30 20.651 -17.700 -9.159 215 HE2 PHE 30 HE1 PHE 30 21.756 -17.746 -13.277 216 HZ PHE 30 HZ PHE 30 21.850 -18.757 -11.033 217 H SER 31 H SER 31 16.193 -13.451 -12.910 218 HA SER 31 HA SER 31 15.985 -10.699 -11.881 219 HB2 SER 31 2HB SER 31 16.995 -11.057 -14.181 220 HB3 SER 31 3HB SER 31 15.402 -11.600 -14.706 221 HG SER 31 HG SER 31 16.308 -9.101 -14.429 222 H THR 32 H THR 32 14.392 -12.776 -10.817 223 HA THR 32 HA THR 32 11.802 -12.757 -12.046 224 HB THR 32 HB THR 32 11.911 -13.470 -9.196 225 HG1 THR 32 HG1 THR 32 13.473 -14.911 -9.316 226 HG21 THR 32 3HG2 THR 32 10.064 -14.438 -10.028 227 HG22 THR 32 1HG2 THR 32 11.158 -15.680 -10.636 228 HG23 THR 32 2HG2 THR 32 10.657 -14.354 -11.686 229 H VAL 33 H VAL 33 9.935 -12.323 -10.249 230 HA VAL 33 HA VAL 33 9.556 -9.598 -10.144 231 HB VAL 33 HB VAL 33 7.686 -11.045 -9.807 232 HG11 VAL 33 1HG1 VAL 33 7.418 -12.425 -7.801 233 HG12 VAL 33 2HG1 VAL 33 8.842 -12.900 -8.729 234 HG13 VAL 33 3HG1 VAL 33 9.025 -11.944 -7.257 235 HG21 VAL 33 3HG2 VAL 33 8.042 -8.783 -8.419 236 HG22 VAL 33 1HG2 VAL 33 6.567 -9.745 -8.326 237 HG23 VAL 33 2HG2 VAL 33 7.804 -9.906 -7.079 238 H GLY 34 H GLY 34 11.081 -11.697 -7.753 239 HA2 GLY 34 2HA GLY 34 12.932 -10.663 -6.491 240 HA3 GLY 34 3HA GLY 34 11.886 -9.267 -6.275 241 H LEU 35 H LEU 35 9.507 -10.846 -5.736 242 HA LEU 35 HA LEU 35 9.539 -10.939 -2.989 243 HB2 LEU 35 2HB LEU 35 7.697 -11.462 -4.983 244 HB3 LEU 35 3HB LEU 35 7.818 -12.993 -4.118 245 HG LEU 35 HG LEU 35 6.881 -10.329 -3.099 246 HD11 LEU 35 1HD1 LEU 35 4.877 -11.253 -3.284 247 HD12 LEU 35 2HD1 LEU 35 5.374 -12.610 -2.274 248 HD13 LEU 35 3HD1 LEU 35 5.621 -12.674 -4.019 249 HD21 LEU 35 3HD2 LEU 35 6.734 -11.567 -0.863 250 HD22 LEU 35 1HD2 LEU 35 8.313 -10.957 -1.360 251 HD23 LEU 35 2HD2 LEU 35 7.933 -12.670 -1.542 252 H SER 36 H SER 36 9.791 -13.761 -5.160 253 HA SER 36 HA SER 36 10.347 -15.619 -3.118 254 HB2 SER 36 2HB SER 36 11.241 -15.858 -5.995 255 HB3 SER 36 3HB SER 36 10.877 -17.163 -4.866 256 HG SER 36 HG SER 36 9.141 -16.826 -6.283 257 H SER 37 H SER 37 12.283 -13.225 -4.585 258 HA SER 37 HA SER 37 14.736 -14.492 -3.560 259 HB2 SER 37 2HB SER 37 15.979 -13.398 -5.210 260 HB3 SER 37 3HB SER 37 14.489 -13.804 -6.060 261 HG SER 37 HG SER 37 15.098 -11.631 -6.410 262 H LYS 38 H LYS 38 12.741 -12.974 -2.014 263 HA LYS 38 HA LYS 38 14.316 -10.610 -1.257 264 HB2 LYS 38 2HB LYS 38 11.422 -11.325 -1.017 265 HB3 LYS 38 3HB LYS 38 12.119 -10.195 0.135 266 HG2 LYS 38 2HG LYS 38 12.819 -9.549 -2.606 267 HG3 LYS 38 3HG LYS 38 11.075 -9.576 -2.337 268 HD2 LYS 38 2HD LYS 38 11.238 -7.967 -0.590 269 HD3 LYS 38 3HD LYS 38 12.999 -8.093 -0.554 270 HE2 LYS 38 2HE LYS 38 12.908 -7.296 -2.990 271 HE3 LYS 38 3HE LYS 38 11.245 -6.829 -2.638 272 HZ1 LYS 38 3HZ LYS 38 13.026 -5.073 -2.340 273 HZ2 LYS 38 1HZ LYS 38 13.504 -5.924 -0.959 274 HZ3 LYS 38 2HZ LYS 38 11.944 -5.279 -1.057 275 H THR 39 H THR 39 13.852 -10.125 1.242 276 HA THR 39 HA THR 39 15.057 -12.363 2.643 277 HB THR 39 HB THR 39 15.262 -9.572 2.874 278 HG1 THR 39 HG1 THR 39 16.660 -10.346 4.735 279 HG21 THR 39 3HG2 THR 39 14.726 -9.108 5.181 280 HG22 THR 39 1HG2 THR 39 14.169 -10.764 5.424 281 HG23 THR 39 2HG2 THR 39 13.273 -9.679 4.362 282 HA PRO 40 HA PRO 40 11.475 -13.789 4.745 283 HB2 PRO 40 2HB PRO 40 12.518 -14.512 7.145 284 HB3 PRO 40 3HB PRO 40 12.805 -15.424 5.659 285 HG2 PRO 40 2HG PRO 40 14.562 -13.419 7.020 286 HG3 PRO 40 3HG PRO 40 14.998 -14.975 6.289 287 HD2 PRO 40 2HD PRO 40 15.391 -12.611 5.028 288 HD3 PRO 40 3HD PRO 40 15.013 -14.109 4.153 289 H ASP 41 H ASP 41 10.755 -11.429 4.740 290 HA ASP 41 HA ASP 41 9.632 -10.768 7.196 291 HB2 ASP 41 2HB ASP 41 12.344 -9.971 7.048 292 HB3 ASP 41 3HB ASP 41 11.375 -8.507 6.899 293 H GLN 42 H GLN 42 10.789 -9.686 4.078 294 HA GLN 42 HA GLN 42 8.865 -7.521 3.942 295 HB2 GLN 42 2HB GLN 42 10.772 -8.589 1.852 296 HB3 GLN 42 3HB GLN 42 9.803 -7.129 1.698 297 HG2 GLN 42 2HG GLN 42 10.990 -6.172 3.633 298 HG3 GLN 42 3HG GLN 42 12.000 -7.615 3.697 299 HE21 GLN 42 1HE2 GLN 42 13.575 -7.929 2.150 300 HE22 GLN 42 2HE2 GLN 42 14.081 -6.682 1.067 301 H ILE 43 H ILE 43 9.058 -10.839 3.094 302 HA ILE 43 HA ILE 43 7.202 -10.869 0.952 303 HB ILE 43 HB ILE 43 7.780 -13.114 2.885 304 HG12 ILE 43 2HG1 ILE 43 9.162 -12.485 0.269 305 HG13 ILE 43 3HG1 ILE 43 9.839 -12.143 1.857 306 HG21 ILE 43 1HG2 ILE 43 7.345 -14.114 0.328 307 HG22 ILE 43 2HG2 ILE 43 6.235 -14.184 1.696 308 HG23 ILE 43 3HG2 ILE 43 6.120 -12.862 0.535 309 HD11 ILE 43 3HD1 ILE 43 10.378 -14.358 0.468 310 HD12 ILE 43 1HD1 ILE 43 10.388 -14.293 2.230 311 HD13 ILE 43 2HD1 ILE 43 8.975 -14.919 1.378 312 H LYS 44 H LYS 44 6.840 -11.545 4.428 313 HA LYS 44 HA LYS 44 4.163 -12.187 4.506 314 HB2 LYS 44 2HB LYS 44 4.229 -11.116 6.836 315 HB3 LYS 44 3HB LYS 44 5.350 -12.432 6.514 316 HG2 LYS 44 2HG LYS 44 7.163 -10.885 6.210 317 HG3 LYS 44 3HG LYS 44 6.063 -9.512 6.347 318 HD2 LYS 44 2HD LYS 44 7.206 -9.786 8.441 319 HD3 LYS 44 3HD LYS 44 5.519 -10.258 8.659 320 HE2 LYS 44 2HE LYS 44 6.134 -12.603 8.474 321 HE3 LYS 44 3HE LYS 44 7.814 -12.158 8.179 322 HZ1 LYS 44 3HZ LYS 44 7.119 -12.837 10.536 323 HZ2 LYS 44 1HZ LYS 44 6.443 -11.290 10.641 324 HZ3 LYS 44 2HZ LYS 44 8.100 -11.471 10.355 325 H LYS 45 H LYS 45 5.638 -8.965 4.553 326 HA LYS 45 HA LYS 45 3.298 -7.475 4.925 327 HB2 LYS 45 2HB LYS 45 6.038 -6.945 3.965 328 HB3 LYS 45 3HB LYS 45 4.818 -5.810 3.404 329 HG2 LYS 45 2HG LYS 45 4.908 -6.487 6.299 330 HG3 LYS 45 3HG LYS 45 6.135 -5.404 5.636 331 HD2 LYS 45 2HD LYS 45 4.516 -3.892 6.241 332 HD3 LYS 45 3HD LYS 45 4.049 -4.214 4.569 333 HE2 LYS 45 2HE LYS 45 2.171 -5.337 5.169 334 HE3 LYS 45 3HE LYS 45 2.900 -5.994 6.633 335 HZ1 LYS 45 3HZ LYS 45 2.462 -3.122 6.606 336 HZ2 LYS 45 1HZ LYS 45 2.240 -4.241 7.855 337 HZ3 LYS 45 2HZ LYS 45 1.066 -4.077 6.649 338 H VAL 46 H VAL 46 4.666 -8.958 2.074 339 HA VAL 46 HA VAL 46 3.005 -7.565 0.202 340 HB VAL 46 HB VAL 46 4.555 -10.137 -0.134 341 HG11 VAL 46 1HG1 VAL 46 3.086 -8.384 -2.078 342 HG12 VAL 46 2HG1 VAL 46 4.408 -9.434 -2.590 343 HG13 VAL 46 3HG1 VAL 46 2.964 -10.128 -1.852 344 HG21 VAL 46 3HG2 VAL 46 5.801 -7.973 0.455 345 HG22 VAL 46 1HG2 VAL 46 6.337 -8.872 -0.965 346 HG23 VAL 46 2HG2 VAL 46 5.344 -7.428 -1.159 347 H PHE 47 H PHE 47 2.597 -10.274 2.269 348 HA PHE 47 HA PHE 47 0.456 -11.464 0.735 349 HB2 PHE 47 2HB PHE 47 1.369 -13.178 1.906 350 HB3 PHE 47 3HB PHE 47 1.961 -12.122 3.184 351 HD1 PHE 47 HD2 PHE 47 -1.017 -13.904 1.925 352 HD2 PHE 47 HD1 PHE 47 0.773 -11.855 5.198 353 HE1 PHE 47 HE2 PHE 47 -2.837 -14.667 3.393 354 HE2 PHE 47 HE1 PHE 47 -1.045 -12.616 6.672 355 HZ PHE 47 HZ PHE 47 -2.853 -14.023 5.770 356 H GLY 48 H GLY 48 0.811 -9.082 3.206 357 HA2 GLY 48 2HA GLY 48 -1.803 -9.242 4.314 358 HA3 GLY 48 3HA GLY 48 -0.709 -7.872 4.438 359 H ILE 49 H ILE 49 -0.779 -8.261 1.273 360 HA ILE 49 HA ILE 49 -2.903 -6.286 0.937 361 HB ILE 49 HB ILE 49 -0.930 -7.229 -1.140 362 HG12 ILE 49 2HG1 ILE 49 -0.716 -4.808 0.662 363 HG13 ILE 49 3HG1 ILE 49 0.199 -6.296 0.881 364 HG21 ILE 49 1HG2 ILE 49 -3.171 -5.440 -1.170 365 HG22 ILE 49 2HG2 ILE 49 -1.688 -4.556 -1.530 366 HG23 ILE 49 3HG2 ILE 49 -2.138 -5.958 -2.502 367 HD11 ILE 49 3HD1 ILE 49 0.488 -5.289 -1.801 368 HD12 ILE 49 1HD1 ILE 49 0.937 -4.074 -0.605 369 HD13 ILE 49 2HD1 ILE 49 1.719 -5.655 -0.593 370 H LEU 50 H LEU 50 -2.417 -9.604 0.561 371 HA LEU 50 HA LEU 50 -4.259 -9.935 -1.652 372 HB2 LEU 50 2HB LEU 50 -3.446 -12.240 0.022 373 HB3 LEU 50 3HB LEU 50 -3.597 -12.111 -1.729 374 HG LEU 50 HG LEU 50 -1.310 -11.076 -0.054 375 HD11 LEU 50 1HD1 LEU 50 -1.598 -13.429 -1.907 376 HD12 LEU 50 2HD1 LEU 50 -1.170 -13.440 -0.196 377 HD13 LEU 50 3HD1 LEU 50 -0.040 -12.787 -1.383 378 HD21 LEU 50 3HD2 LEU 50 -0.744 -11.175 -2.839 379 HD22 LEU 50 1HD2 LEU 50 -0.749 -9.779 -1.762 380 HD23 LEU 50 2HD2 LEU 50 -2.226 -10.248 -2.603 381 H ASP 51 H ASP 51 -4.174 -10.829 1.795 382 HA ASP 51 HA ASP 51 -6.550 -12.041 2.174 383 HB2 ASP 51 2HB ASP 51 -5.467 -9.827 3.930 384 HB3 ASP 51 3HB ASP 51 -6.636 -11.051 4.420 385 H GLN 52 H GLN 52 -8.663 -11.600 2.008 386 HA GLN 52 HA GLN 52 -9.681 -9.532 0.535 387 HB2 GLN 52 2HB GLN 52 -11.871 -10.014 1.776 388 HB3 GLN 52 3HB GLN 52 -11.116 -11.349 0.916 389 HG2 GLN 52 2HG GLN 52 -11.171 -12.538 2.774 390 HG3 GLN 52 3HG GLN 52 -10.063 -11.386 3.519 391 HE21 GLN 52 1HE2 GLN 52 -13.487 -11.312 2.581 392 HE22 GLN 52 2HE2 GLN 52 -14.073 -10.788 4.119 393 H ASP 53 H ASP 53 -9.410 -9.682 4.072 394 HA ASP 53 HA ASP 53 -9.265 -6.789 4.183 395 HB2 ASP 53 2HB ASP 53 -11.741 -7.580 4.331 396 HB3 ASP 53 3HB ASP 53 -11.304 -8.097 5.957 397 H LYS 54 H LYS 54 -7.644 -9.234 4.811 398 HA LYS 54 HA LYS 54 -6.185 -9.973 6.395 399 HB2 LYS 54 2HB LYS 54 -6.599 -7.129 7.318 400 HB3 LYS 54 3HB LYS 54 -5.415 -8.209 8.045 401 HG2 LYS 54 2HG LYS 54 -5.463 -7.489 5.123 402 HG3 LYS 54 3HG LYS 54 -4.491 -6.654 6.337 403 HD2 LYS 54 2HD LYS 54 -4.207 -9.571 6.362 404 HD3 LYS 54 3HD LYS 54 -3.664 -8.802 4.869 405 HE2 LYS 54 2HE LYS 54 -1.782 -8.883 6.301 406 HE3 LYS 54 3HE LYS 54 -2.341 -7.211 6.312 407 HZ1 LYS 54 3HZ LYS 54 -3.085 -7.377 8.452 408 HZ2 LYS 54 1HZ LYS 54 -1.767 -8.436 8.524 409 HZ3 LYS 54 2HZ LYS 54 -3.336 -9.048 8.373 410 H SER 55 H SER 55 -8.321 -11.216 6.943 411 HA SER 55 HA SER 55 -9.403 -10.562 9.553 412 HB2 SER 55 2HB SER 55 -9.952 -12.930 7.746 413 HB3 SER 55 3HB SER 55 -10.858 -12.513 9.201 414 HG SER 55 HG SER 55 -11.527 -11.757 6.905 415 H GLY 56 H GLY 56 -6.874 -12.456 8.253 416 HA2 GLY 56 2HA GLY 56 -5.416 -13.076 10.340 417 HA3 GLY 56 3HA GLY 56 -6.750 -14.188 10.614 418 H PHE 57 H PHE 57 -7.230 -14.811 7.863 419 HA PHE 57 HA PHE 57 -4.754 -15.899 6.824 420 HB2 PHE 57 2HB PHE 57 -6.988 -17.691 7.796 421 HB3 PHE 57 3HB PHE 57 -5.656 -18.230 6.779 422 HD1 PHE 57 HD1 PHE 57 -3.413 -18.437 7.670 423 HD2 PHE 57 HD2 PHE 57 -6.653 -17.178 10.127 424 HE1 PHE 57 HE1 PHE 57 -2.052 -18.860 9.676 425 HE2 PHE 57 HE2 PHE 57 -5.297 -17.598 12.136 426 HZ PHE 57 HZ PHE 57 -2.993 -18.439 11.913 427 H ILE 58 H ILE 58 -5.267 -17.276 4.804 428 HA ILE 58 HA ILE 58 -7.544 -16.066 3.377 429 HB ILE 58 HB ILE 58 -4.728 -16.518 2.424 430 HG12 ILE 58 2HG1 ILE 58 -6.558 -14.123 2.178 431 HG13 ILE 58 3HG1 ILE 58 -5.399 -14.344 3.484 432 HG21 ILE 58 1HG2 ILE 58 -5.997 -17.487 0.687 433 HG22 ILE 58 2HG2 ILE 58 -7.229 -16.229 0.782 434 HG23 ILE 58 3HG2 ILE 58 -5.626 -15.848 0.152 435 HD11 ILE 58 3HD1 ILE 58 -4.241 -12.989 2.044 436 HD12 ILE 58 1HD1 ILE 58 -3.683 -14.585 1.547 437 HD13 ILE 58 2HD1 ILE 58 -4.920 -13.751 0.607 438 H GLU 59 H GLU 59 -9.003 -17.592 2.990 439 HA GLU 59 HA GLU 59 -8.249 -20.374 2.778 440 HB2 GLU 59 2HB GLU 59 -10.996 -19.227 2.312 441 HB3 GLU 59 3HB GLU 59 -10.573 -20.859 2.811 442 HG2 GLU 59 2HG GLU 59 -11.201 -20.062 4.822 443 HG3 GLU 59 3HG GLU 59 -9.521 -19.528 4.861 444 H GLU 60 H GLU 60 -9.297 -21.692 0.977 445 HA GLU 60 HA GLU 60 -8.154 -21.089 -1.454 446 HB2 GLU 60 2HB GLU 60 -9.087 -23.311 -0.720 447 HB3 GLU 60 3HB GLU 60 -10.685 -22.701 -1.125 448 HG2 GLU 60 2HG GLU 60 -8.637 -22.483 -3.233 449 HG3 GLU 60 3HG GLU 60 -9.161 -24.113 -2.813 450 H GLU 61 H GLU 61 -11.166 -19.980 -0.136 451 HA GLU 61 HA GLU 61 -12.422 -19.170 -2.528 452 HB2 GLU 61 2HB GLU 61 -12.699 -18.205 0.317 453 HB3 GLU 61 3HB GLU 61 -13.702 -17.609 -0.997 454 HG2 GLU 61 2HG GLU 61 -14.482 -19.907 -1.409 455 HG3 GLU 61 3HG GLU 61 -13.529 -20.453 -0.030 456 H GLU 62 H GLU 62 -10.375 -17.400 -0.224 457 HA GLU 62 HA GLU 62 -10.341 -15.068 -1.955 458 HB2 GLU 62 2HB GLU 62 -9.730 -15.634 0.834 459 HB3 GLU 62 3HB GLU 62 -8.488 -14.648 0.074 460 HG2 GLU 62 2HG GLU 62 -9.926 -13.059 0.896 461 HG3 GLU 62 3HG GLU 62 -10.484 -13.228 -0.768 462 H LEU 63 H LEU 63 -8.696 -17.940 -1.807 463 HA LEU 63 HA LEU 63 -6.052 -16.982 -2.406 464 HB2 LEU 63 2HB LEU 63 -6.837 -19.247 -1.353 465 HB3 LEU 63 3HB LEU 63 -6.968 -19.752 -3.036 466 HG LEU 63 HG LEU 63 -4.560 -19.168 -3.326 467 HD11 LEU 63 1HD1 LEU 63 -4.934 -17.996 -0.775 468 HD12 LEU 63 2HD1 LEU 63 -3.479 -18.022 -1.771 469 HD13 LEU 63 3HD1 LEU 63 -3.770 -19.309 -0.602 470 HD21 LEU 63 3HD2 LEU 63 -4.029 -21.286 -2.839 471 HD22 LEU 63 1HD2 LEU 63 -5.708 -21.438 -2.320 472 HD23 LEU 63 2HD2 LEU 63 -4.447 -21.098 -1.135 473 H GLN 64 H GLN 64 -8.902 -17.792 -4.199 474 HA GLN 64 HA GLN 64 -7.669 -18.239 -6.717 475 HB2 GLN 64 2HB GLN 64 -9.848 -18.203 -7.632 476 HB3 GLN 64 3HB GLN 64 -10.022 -18.898 -6.026 477 HG2 GLN 64 2HG GLN 64 -10.714 -16.657 -5.201 478 HG3 GLN 64 3HG GLN 64 -10.689 -16.090 -6.870 479 HE21 GLN 64 1HE2 GLN 64 -11.798 -18.112 -8.246 480 HE22 GLN 64 2HE2 GLN 64 -13.428 -18.378 -7.738 481 H LEU 65 H LEU 65 -7.776 -15.509 -4.878 482 HA LEU 65 HA LEU 65 -7.901 -13.695 -7.184 483 HB2 LEU 65 2HB LEU 65 -7.757 -12.845 -4.312 484 HB3 LEU 65 3HB LEU 65 -8.352 -11.938 -5.702 485 HG LEU 65 HG LEU 65 -9.759 -14.374 -4.630 486 HD11 LEU 65 1HD1 LEU 65 -10.931 -13.153 -3.117 487 HD12 LEU 65 2HD1 LEU 65 -10.765 -11.652 -4.029 488 HD13 LEU 65 3HD1 LEU 65 -9.414 -12.253 -3.067 489 HD21 LEU 65 3HD2 LEU 65 -11.220 -12.205 -5.960 490 HD22 LEU 65 1HD2 LEU 65 -11.347 -13.953 -6.159 491 HD23 LEU 65 2HD2 LEU 65 -10.070 -13.062 -6.987 492 H PHE 66 H PHE 66 -5.632 -15.500 -6.134 493 HA PHE 66 HA PHE 66 -3.563 -13.822 -5.203 494 HB2 PHE 66 2HB PHE 66 -3.452 -16.243 -4.941 495 HB3 PHE 66 3HB PHE 66 -3.415 -16.453 -6.689 496 HD1 PHE 66 HD1 PHE 66 -1.522 -15.147 -3.800 497 HD2 PHE 66 HD2 PHE 66 -1.398 -16.310 -7.892 498 HE1 PHE 66 HE1 PHE 66 0.935 -15.029 -3.755 499 HE2 PHE 66 HE2 PHE 66 1.059 -16.195 -7.854 500 HZ PHE 66 HZ PHE 66 2.229 -15.555 -5.783 501 H LEU 67 H LEU 67 -4.867 -14.405 -8.348 502 HA LEU 67 HA LEU 67 -2.571 -13.362 -9.760 503 HB2 LEU 67 2HB LEU 67 -5.217 -14.479 -10.488 504 HB3 LEU 67 3HB LEU 67 -4.473 -13.366 -11.634 505 HG LEU 67 HG LEU 67 -3.158 -15.880 -10.610 506 HD11 LEU 67 1HD1 LEU 67 -5.293 -15.661 -12.409 507 HD12 LEU 67 2HD1 LEU 67 -4.269 -17.066 -12.117 508 HD13 LEU 67 3HD1 LEU 67 -3.853 -15.922 -13.393 509 HD21 LEU 67 3HD2 LEU 67 -1.868 -15.374 -12.842 510 HD22 LEU 67 1HD2 LEU 67 -1.412 -14.584 -11.332 511 HD23 LEU 67 2HD2 LEU 67 -2.395 -13.722 -12.517 512 H LYS 68 H LYS 68 -4.762 -11.923 -7.869 513 HA LYS 68 HA LYS 68 -5.230 -9.599 -9.580 514 HB2 LYS 68 2HB LYS 68 -6.192 -10.050 -6.753 515 HB3 LYS 68 3HB LYS 68 -6.774 -8.847 -7.896 516 HG2 LYS 68 2HG LYS 68 -7.058 -11.826 -8.230 517 HG3 LYS 68 3HG LYS 68 -8.316 -10.741 -7.633 518 HD2 LYS 68 2HD LYS 68 -7.194 -9.799 -10.129 519 HD3 LYS 68 3HD LYS 68 -7.828 -11.440 -10.282 520 HE2 LYS 68 2HE LYS 68 -9.805 -10.431 -10.595 521 HE3 LYS 68 3HE LYS 68 -9.795 -10.213 -8.846 522 HZ1 LYS 68 3HZ LYS 68 -9.899 -8.237 -10.759 523 HZ2 LYS 68 1HZ LYS 68 -8.330 -8.150 -10.131 524 HZ3 LYS 68 2HZ LYS 68 -9.663 -8.029 -9.097 525 H ASN 69 H ASN 69 -3.135 -10.693 -7.117 526 HA ASN 69 HA ASN 69 -2.423 -8.056 -6.164 527 HB2 ASN 69 2HB ASN 69 -2.311 -9.815 -4.545 528 HB3 ASN 69 3HB ASN 69 -1.318 -10.811 -5.605 529 HD21 ASN 69 1HD2 ASN 69 0.591 -10.994 -4.677 530 HD22 ASN 69 2HD2 ASN 69 1.537 -9.695 -4.043 531 H PHE 70 H PHE 70 -1.432 -10.229 -8.638 532 HA PHE 70 HA PHE 70 1.051 -8.719 -9.068 533 HB2 PHE 70 2HB PHE 70 0.162 -11.400 -10.149 534 HB3 PHE 70 3HB PHE 70 1.664 -10.596 -10.596 535 HD1 PHE 70 HD2 PHE 70 -0.198 -11.928 -7.672 536 HD2 PHE 70 HD1 PHE 70 3.587 -10.920 -9.337 537 HE1 PHE 70 HE2 PHE 70 0.922 -12.963 -5.742 538 HE2 PHE 70 HE1 PHE 70 4.714 -11.954 -7.410 539 HZ PHE 70 HZ PHE 70 3.382 -12.976 -5.609 540 H SER 71 H SER 71 -1.669 -10.105 -10.903 541 HA SER 71 HA SER 71 -1.260 -8.001 -12.924 542 HB2 SER 71 2HB SER 71 -1.121 -10.583 -13.475 543 HB3 SER 71 3HB SER 71 -2.879 -10.448 -13.508 544 HG SER 71 HG SER 71 -0.971 -9.368 -15.224 545 H SER 72 H SER 72 -3.231 -7.218 -14.003 546 HA SER 72 HA SER 72 -5.520 -7.172 -12.145 547 HB2 SER 72 2HB SER 72 -4.371 -5.005 -12.227 548 HB3 SER 72 3HB SER 72 -4.550 -4.966 -13.981 549 HG SER 72 HG SER 72 -6.195 -3.762 -13.036 550 H SER 73 H SER 73 -4.820 -8.833 -14.608 551 HA SER 73 HA SER 73 -7.269 -8.240 -16.138 552 HB2 SER 73 2HB SER 73 -4.914 -8.067 -17.271 553 HB3 SER 73 3HB SER 73 -5.002 -9.828 -17.298 554 HG SER 73 HG SER 73 -5.852 -8.885 -19.207 555 H ALA 74 H ALA 74 -5.216 -10.753 -14.766 556 HA ALA 74 HA ALA 74 -6.786 -12.964 -15.559 557 HB1 ALA 74 1HB ALA 74 -4.674 -13.595 -14.919 558 HB2 ALA 74 2HB ALA 74 -4.656 -12.517 -13.522 559 HB3 ALA 74 3HB ALA 74 -5.596 -14.008 -13.473 560 H ARG 75 H ARG 75 -8.863 -13.187 -15.035 561 HA ARG 75 HA ARG 75 -10.295 -11.951 -13.067 562 HB2 ARG 75 2HB ARG 75 -11.664 -14.248 -13.157 563 HB3 ARG 75 3HB ARG 75 -11.709 -13.066 -14.458 564 HG2 ARG 75 2HG ARG 75 -10.553 -14.384 -15.884 565 HG3 ARG 75 3HG ARG 75 -9.576 -15.102 -14.602 566 HD2 ARG 75 2HD ARG 75 -11.474 -16.467 -13.908 567 HD3 ARG 75 3HD ARG 75 -12.474 -15.728 -15.158 568 HE ARG 75 HE ARG 75 -10.371 -16.759 -16.534 569 HH11 ARG 75 1HH1 ARG 75 -12.657 -18.065 -14.257 570 HH12 ARG 75 2HH1 ARG 75 -12.621 -19.659 -14.936 571 HH21 ARG 75 1HH2 ARG 75 -10.315 -18.853 -17.437 572 HH22 ARG 75 2HH2 ARG 75 -11.288 -20.106 -16.744 573 H VAL 76 H VAL 76 -9.562 -15.413 -12.733 574 HA VAL 76 HA VAL 76 -8.458 -15.032 -10.088 575 HB VAL 76 HB VAL 76 -10.141 -16.716 -9.124 576 HG11 VAL 76 1HG1 VAL 76 -9.952 -14.279 -8.559 577 HG12 VAL 76 2HG1 VAL 76 -11.217 -13.973 -9.751 578 HG13 VAL 76 3HG1 VAL 76 -11.559 -14.972 -8.338 579 HG21 VAL 76 3HG2 VAL 76 -11.769 -15.677 -11.443 580 HG22 VAL 76 1HG2 VAL 76 -11.188 -17.331 -11.247 581 HG23 VAL 76 2HG2 VAL 76 -12.371 -16.672 -10.118 582 H LEU 77 H LEU 77 -7.677 -17.054 -9.144 583 HA LEU 77 HA LEU 77 -6.183 -18.588 -10.872 584 HB2 LEU 77 2HB LEU 77 -7.266 -19.454 -8.196 585 HB3 LEU 77 3HB LEU 77 -5.883 -20.157 -9.033 586 HG LEU 77 HG LEU 77 -6.097 -17.514 -7.633 587 HD11 LEU 77 1HD1 LEU 77 -3.825 -18.407 -6.809 588 HD12 LEU 77 2HD1 LEU 77 -4.374 -19.956 -7.448 589 HD13 LEU 77 3HD1 LEU 77 -5.301 -19.145 -6.186 590 HD21 LEU 77 3HD2 LEU 77 -4.020 -18.316 -9.669 591 HD22 LEU 77 1HD2 LEU 77 -3.903 -16.927 -8.588 592 HD23 LEU 77 2HD2 LEU 77 -5.175 -16.989 -9.809 593 H THR 78 H THR 78 -6.338 -21.002 -11.173 594 HA THR 78 HA THR 78 -9.123 -21.817 -11.687 595 HB THR 78 HB THR 78 -7.873 -21.175 -13.782 596 HG1 THR 78 HG1 THR 78 -8.572 -23.111 -14.874 597 HG21 THR 78 3HG2 THR 78 -6.301 -23.671 -13.130 598 HG22 THR 78 1HG2 THR 78 -5.668 -22.026 -13.151 599 HG23 THR 78 2HG2 THR 78 -6.226 -22.776 -14.647 600 H SER 79 H SER 79 -8.679 -24.364 -12.591 601 HA SER 79 HA SER 79 -8.112 -25.737 -10.142 602 HB2 SER 79 2HB SER 79 -9.836 -26.332 -12.014 603 HB3 SER 79 3HB SER 79 -8.465 -27.141 -12.772 604 HG SER 79 HG SER 79 -9.841 -28.406 -11.264 605 H ALA 80 H ALA 80 -5.822 -24.600 -10.441 606 HA ALA 80 HA ALA 80 -3.937 -26.659 -10.636 607 HB1 ALA 80 1HB ALA 80 -3.005 -25.037 -12.780 608 HB2 ALA 80 2HB ALA 80 -3.379 -26.761 -12.779 609 HB3 ALA 80 3HB ALA 80 -4.638 -25.586 -13.157 610 H GLU 81 H GLU 81 -4.553 -23.203 -10.912 611 HA GLU 81 HA GLU 81 -1.937 -22.477 -9.942 612 HB2 GLU 81 2HB GLU 81 -4.420 -20.798 -10.340 613 HB3 GLU 81 3HB GLU 81 -2.819 -20.173 -9.970 614 HG2 GLU 81 2HG GLU 81 -2.055 -21.330 -12.105 615 HG3 GLU 81 3HG GLU 81 -3.768 -21.502 -12.483 616 H THR 82 H THR 82 -5.250 -22.415 -8.664 617 HA THR 82 HA THR 82 -4.539 -21.404 -6.113 618 HB THR 82 HB THR 82 -6.928 -23.103 -6.160 619 HG1 THR 82 HG1 THR 82 -7.599 -22.480 -8.063 620 HG21 THR 82 3HG2 THR 82 -7.160 -20.189 -5.857 621 HG22 THR 82 1HG2 THR 82 -6.052 -20.962 -4.725 622 HG23 THR 82 2HG2 THR 82 -7.733 -21.487 -4.810 623 H LYS 83 H LYS 83 -4.872 -24.652 -7.428 624 HA LYS 83 HA LYS 83 -4.628 -25.995 -4.924 625 HB2 LYS 83 2HB LYS 83 -4.090 -27.057 -7.703 626 HB3 LYS 83 3HB LYS 83 -4.359 -28.020 -6.256 627 HG2 LYS 83 2HG LYS 83 -6.454 -26.083 -7.106 628 HG3 LYS 83 3HG LYS 83 -6.284 -27.609 -7.978 629 HD2 LYS 83 2HD LYS 83 -6.720 -28.879 -6.033 630 HD3 LYS 83 3HD LYS 83 -6.511 -27.478 -4.980 631 HE2 LYS 83 2HE LYS 83 -8.559 -26.552 -5.613 632 HE3 LYS 83 3HE LYS 83 -8.661 -27.540 -7.070 633 HZ1 LYS 83 3HZ LYS 83 -9.171 -29.443 -5.801 634 HZ2 LYS 83 1HZ LYS 83 -10.154 -28.209 -5.189 635 HZ3 LYS 83 2HZ LYS 83 -8.771 -28.689 -4.341 636 H ALA 84 H ALA 84 -2.363 -25.308 -7.573 637 HA ALA 84 HA ALA 84 -0.131 -26.554 -6.339 638 HB1 ALA 84 1HB ALA 84 0.043 -24.349 -8.372 639 HB2 ALA 84 2HB ALA 84 1.156 -25.692 -8.104 640 HB3 ALA 84 3HB ALA 84 -0.435 -25.992 -8.802 641 H PHE 85 H PHE 85 -1.781 -23.750 -5.572 642 HA PHE 85 HA PHE 85 0.592 -22.472 -4.404 643 HB2 PHE 85 2HB PHE 85 -0.896 -21.107 -5.892 644 HB3 PHE 85 3HB PHE 85 -2.183 -21.311 -4.709 645 HD1 PHE 85 HD1 PHE 85 1.160 -19.855 -5.270 646 HD2 PHE 85 HD2 PHE 85 -2.271 -19.992 -2.754 647 HE1 PHE 85 HE1 PHE 85 1.986 -17.889 -4.042 648 HE2 PHE 85 HE2 PHE 85 -1.451 -18.026 -1.523 649 HZ PHE 85 HZ PHE 85 0.679 -16.971 -2.167 650 H LEU 86 H LEU 86 -2.736 -23.425 -3.608 651 HA LEU 86 HA LEU 86 -2.550 -22.823 -0.851 652 HB2 LEU 86 2HB LEU 86 -4.601 -23.339 -2.426 653 HB3 LEU 86 3HB LEU 86 -4.352 -24.980 -1.834 654 HG LEU 86 HG LEU 86 -4.644 -22.717 0.103 655 HD11 LEU 86 1HD1 LEU 86 -7.115 -24.138 -0.403 656 HD12 LEU 86 2HD1 LEU 86 -6.570 -23.236 -1.817 657 HD13 LEU 86 3HD1 LEU 86 -6.812 -22.405 -0.280 658 HD21 LEU 86 3HD2 LEU 86 -4.880 -24.341 1.637 659 HD22 LEU 86 1HD2 LEU 86 -4.100 -25.356 0.424 660 HD23 LEU 86 2HD2 LEU 86 -5.857 -25.350 0.570 661 H ALA 87 H ALA 87 -2.389 -25.936 -2.580 662 HA ALA 87 HA ALA 87 -1.721 -27.453 -0.282 663 HB1 ALA 87 1HB ALA 87 -1.196 -29.247 -1.853 664 HB2 ALA 87 2HB ALA 87 -2.723 -28.465 -2.264 665 HB3 ALA 87 3HB ALA 87 -1.267 -28.102 -3.192 666 H ALA 88 H ALA 88 0.077 -25.275 -2.122 667 HA ALA 88 HA ALA 88 2.637 -26.541 -1.467 668 HB1 ALA 88 1HB ALA 88 3.646 -24.940 -2.970 669 HB2 ALA 88 2HB ALA 88 2.293 -25.739 -3.772 670 HB3 ALA 88 3HB ALA 88 2.107 -24.098 -3.152 671 H GLY 89 H GLY 89 0.596 -23.858 -0.616 672 HA2 GLY 89 2HA GLY 89 2.727 -22.668 1.016 673 HA3 GLY 89 3HA GLY 89 1.192 -21.909 0.617 674 H ASP 90 H ASP 90 -0.741 -23.394 1.439 675 HA ASP 90 HA ASP 90 -0.819 -23.174 4.197 676 HB2 ASP 90 2HB ASP 90 -2.876 -23.334 3.002 677 HB3 ASP 90 3HB ASP 90 -2.432 -24.893 2.313 678 H THR 91 H THR 91 0.732 -24.102 5.415 679 HA THR 91 HA THR 91 1.000 -27.033 5.240 680 HB THR 91 HB THR 91 3.321 -26.820 6.012 681 HG1 THR 91 HG1 THR 91 3.778 -24.976 6.948 682 HG21 THR 91 3HG2 THR 91 3.884 -25.163 3.852 683 HG22 THR 91 1HG2 THR 91 2.321 -25.877 3.459 684 HG23 THR 91 2HG2 THR 91 3.702 -26.916 3.812 685 H ASP 92 H ASP 92 0.843 -24.197 7.296 686 HA ASP 92 HA ASP 92 0.581 -25.952 9.647 687 HB2 ASP 92 2HB ASP 92 2.384 -24.017 9.429 688 HB3 ASP 92 3HB ASP 92 1.027 -23.016 9.940 689 H GLY 93 H GLY 93 -1.494 -25.181 7.645 690 HA2 GLY 93 2HA GLY 93 -3.416 -24.051 9.576 691 HA3 GLY 93 3HA GLY 93 -3.369 -23.474 7.917 692 H ASP 94 H ASP 94 -5.602 -24.102 7.774 693 HA ASP 94 HA ASP 94 -5.885 -26.962 7.164 694 HB2 ASP 94 2HB ASP 94 -6.912 -26.424 9.386 695 HB3 ASP 94 3HB ASP 94 -8.005 -25.318 8.559 696 H GLY 95 H GLY 95 -5.350 -25.713 5.054 697 HA2 GLY 95 2HA GLY 95 -6.410 -25.657 2.925 698 HA3 GLY 95 3HA GLY 95 -7.919 -25.234 3.720 699 H LYS 96 H LYS 96 -6.125 -23.270 5.340 700 HA LYS 96 HA LYS 96 -6.286 -21.120 3.338 701 HB2 LYS 96 2HB LYS 96 -6.297 -19.623 5.404 702 HB3 LYS 96 3HB LYS 96 -7.736 -20.594 5.121 703 HG2 LYS 96 2HG LYS 96 -6.952 -22.227 6.768 704 HG3 LYS 96 3HG LYS 96 -5.523 -21.233 7.062 705 HD2 LYS 96 2HD LYS 96 -6.648 -19.863 8.421 706 HD3 LYS 96 3HD LYS 96 -7.982 -19.704 7.275 707 HE2 LYS 96 2HE LYS 96 -8.922 -21.810 8.060 708 HE3 LYS 96 3HE LYS 96 -7.569 -22.015 9.172 709 HZ1 LYS 96 3HZ LYS 96 -8.565 -19.537 9.754 710 HZ2 LYS 96 1HZ LYS 96 -8.819 -20.951 10.648 711 HZ3 LYS 96 2HZ LYS 96 -9.950 -20.472 9.485 712 H ILE 97 H ILE 97 -4.727 -19.242 3.902 713 HA ILE 97 HA ILE 97 -2.123 -20.266 4.784 714 HB ILE 97 HB ILE 97 -2.623 -18.796 2.196 715 HG12 ILE 97 2HG1 ILE 97 -1.445 -21.516 2.803 716 HG13 ILE 97 3HG1 ILE 97 -3.014 -21.203 2.069 717 HG21 ILE 97 1HG2 ILE 97 -0.177 -18.867 1.895 718 HG22 ILE 97 2HG2 ILE 97 -0.662 -17.868 3.264 719 HG23 ILE 97 3HG2 ILE 97 -0.013 -19.484 3.539 720 HD11 ILE 97 3HD1 ILE 97 -0.337 -20.532 0.870 721 HD12 ILE 97 1HD1 ILE 97 -1.380 -21.877 0.408 722 HD13 ILE 97 2HD1 ILE 97 -1.908 -20.217 0.132 723 H GLY 98 H GLY 98 -1.269 -18.964 6.261 724 HA2 GLY 98 2HA GLY 98 -2.321 -16.247 6.532 725 HA3 GLY 98 3HA GLY 98 -1.391 -17.123 7.738 726 H VAL 99 H VAL 99 0.591 -16.384 8.053 727 HA VAL 99 HA VAL 99 1.917 -14.954 5.843 728 HB VAL 99 HB VAL 99 3.292 -14.292 8.161 729 HG11 VAL 99 1HG1 VAL 99 2.730 -12.132 7.611 730 HG12 VAL 99 2HG1 VAL 99 2.399 -12.961 6.089 731 HG13 VAL 99 3HG1 VAL 99 1.074 -12.557 7.181 732 HG21 VAL 99 3HG2 VAL 99 1.537 -13.474 9.690 733 HG22 VAL 99 1HG2 VAL 99 0.325 -14.292 8.703 734 HG23 VAL 99 2HG2 VAL 99 1.549 -15.232 9.556 735 H GLU 100 H GLU 100 2.696 -16.869 8.753 736 HA GLU 100 HA GLU 100 5.335 -17.455 8.111 737 HB2 GLU 100 2HB GLU 100 3.366 -18.386 10.010 738 HB3 GLU 100 3HB GLU 100 4.340 -19.727 9.423 739 HG2 GLU 100 2HG GLU 100 6.356 -18.232 9.948 740 HG3 GLU 100 3HG GLU 100 5.218 -17.274 10.893 741 H GLU 101 H GLU 101 2.360 -18.933 7.011 742 HA GLU 101 HA GLU 101 3.751 -21.112 5.695 743 HB2 GLU 101 2HB GLU 101 0.847 -20.423 5.327 744 HB3 GLU 101 3HB GLU 101 1.629 -21.990 5.179 745 HG2 GLU 101 2HG GLU 101 0.826 -20.501 7.632 746 HG3 GLU 101 3HG GLU 101 0.514 -22.177 7.183 747 H PHE 102 H PHE 102 2.957 -17.912 5.000 748 HA PHE 102 HA PHE 102 2.593 -18.240 2.157 749 HB2 PHE 102 2HB PHE 102 1.507 -16.396 3.407 750 HB3 PHE 102 3HB PHE 102 3.095 -15.722 3.758 751 HD1 PHE 102 HD1 PHE 102 0.651 -16.413 1.096 752 HD2 PHE 102 HD2 PHE 102 4.287 -14.461 2.137 753 HE1 PHE 102 HE1 PHE 102 0.573 -15.151 -1.015 754 HE2 PHE 102 HE2 PHE 102 4.215 -13.195 0.028 755 HZ PHE 102 HZ PHE 102 2.356 -13.538 -1.550 756 H GLN 103 H GLN 103 5.017 -16.418 4.039 757 HA GLN 103 HA GLN 103 6.853 -16.062 2.001 758 HB2 GLN 103 2HB GLN 103 8.555 -15.873 3.863 759 HB3 GLN 103 3HB GLN 103 7.147 -14.829 4.006 760 HG2 GLN 103 2HG GLN 103 6.169 -16.284 5.647 761 HG3 GLN 103 3HG GLN 103 7.463 -17.461 5.428 762 HE21 GLN 103 1HE2 GLN 103 9.517 -17.010 6.244 763 HE22 GLN 103 2HE2 GLN 103 9.774 -15.796 7.446 764 H SER 104 H SER 104 6.422 -18.805 4.164 765 HA SER 104 HA SER 104 8.766 -20.203 3.628 766 HB2 SER 104 2HB SER 104 7.313 -20.936 5.401 767 HB3 SER 104 3HB SER 104 5.991 -21.220 4.270 768 HG SER 104 HG SER 104 7.848 -22.924 5.036 769 H LEU 105 H LEU 105 6.030 -19.629 1.627 770 HA LEU 105 HA LEU 105 6.742 -21.774 -0.223 771 HB2 LEU 105 2HB LEU 105 4.416 -21.598 0.143 772 HB3 LEU 105 3HB LEU 105 4.440 -19.849 -0.071 773 HG LEU 105 HG LEU 105 5.244 -21.490 -2.402 774 HD11 LEU 105 1HD1 LEU 105 3.428 -22.836 -1.917 775 HD12 LEU 105 2HD1 LEU 105 2.716 -21.598 -2.951 776 HD13 LEU 105 3HD1 LEU 105 2.505 -21.514 -1.202 777 HD21 LEU 105 3HD2 LEU 105 4.815 -18.855 -1.995 778 HD22 LEU 105 1HD2 LEU 105 3.226 -19.354 -2.576 779 HD23 LEU 105 2HD2 LEU 105 4.658 -19.651 -3.562 780 H VAL 106 H VAL 106 6.459 -18.240 -0.138 781 HA VAL 106 HA VAL 106 7.174 -17.690 -2.771 782 HB VAL 106 HB VAL 106 7.908 -16.016 -0.367 783 HG11 VAL 106 1HG1 VAL 106 8.881 -14.774 -1.955 784 HG12 VAL 106 2HG1 VAL 106 8.061 -15.632 -3.261 785 HG13 VAL 106 3HG1 VAL 106 7.237 -14.325 -2.408 786 HG21 VAL 106 3HG2 VAL 106 5.569 -15.058 -1.632 787 HG22 VAL 106 1HG2 VAL 106 5.337 -16.781 -1.333 788 HG23 VAL 106 2HG2 VAL 106 5.740 -15.702 0.001 789 H LYS 107 H LYS 107 9.229 -18.105 0.089 790 HA LYS 107 HA LYS 107 11.682 -17.502 -1.125 791 HB2 LYS 107 2HB LYS 107 11.019 -19.298 1.210 792 HB3 LYS 107 3HB LYS 107 12.663 -18.888 0.739 793 HG2 LYS 107 2HG LYS 107 11.722 -16.426 0.935 794 HG3 LYS 107 3HG LYS 107 10.580 -17.214 2.027 795 HD2 LYS 107 2HD LYS 107 12.369 -16.493 3.386 796 HD3 LYS 107 3HD LYS 107 12.602 -18.230 3.176 797 HE2 LYS 107 2HE LYS 107 14.730 -17.399 2.815 798 HE3 LYS 107 3HE LYS 107 14.096 -17.531 1.175 799 HZ1 LYS 107 3HZ LYS 107 14.223 -15.341 0.889 800 HZ2 LYS 107 1HZ LYS 107 15.189 -15.304 2.278 801 HZ3 LYS 107 2HZ LYS 107 13.529 -14.999 2.393 802 H ALA 108 H ALA 108 9.626 -20.204 -1.479 803 HA ALA 108 HA ALA 108 11.755 -21.942 -2.459 804 HB1 ALA 108 1HB ALA 108 9.806 -22.721 -0.996 805 HB2 ALA 108 2HB ALA 108 8.830 -22.608 -2.461 806 HB3 ALA 108 3HB ALA 108 10.214 -23.699 -2.406 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.521 0.611 0.047 2 HA ALA 1 HA ALA 1 1.047 0.003 -2.393 3 HB1 ALA 1 1HB ALA 1 2.333 1.200 -3.856 4 HB2 ALA 1 2HB ALA 1 2.345 2.292 -2.471 5 HB3 ALA 1 3HB ALA 1 3.726 1.238 -2.775 6 H ILE 2 H ILE 2 2.374 -1.390 -3.880 7 HA ILE 2 HA ILE 2 3.931 -3.279 -2.260 8 HB ILE 2 HB ILE 2 1.975 -4.211 -3.411 9 HG12 ILE 2 2HG1 ILE 2 3.153 -6.067 -4.590 10 HG13 ILE 2 3HG1 ILE 2 4.642 -5.134 -4.503 11 HG21 ILE 2 1HG2 ILE 2 1.474 -3.865 -5.569 12 HG22 ILE 2 2HG2 ILE 2 2.603 -2.516 -5.447 13 HG23 ILE 2 3HG2 ILE 2 3.147 -4.065 -6.091 14 HD11 ILE 2 3HD1 ILE 2 4.500 -5.188 -2.051 15 HD12 ILE 2 1HD1 ILE 2 3.054 -6.190 -2.177 16 HD13 ILE 2 2HD1 ILE 2 4.603 -6.797 -2.766 17 H THR 3 H THR 3 4.098 -1.194 -5.047 18 HA THR 3 HA THR 3 6.376 -2.212 -6.303 19 HB THR 3 HB THR 3 6.691 0.067 -7.226 20 HG1 THR 3 HG1 THR 3 5.642 1.753 -6.398 21 HG21 THR 3 3HG2 THR 3 3.873 0.041 -7.624 22 HG22 THR 3 1HG2 THR 3 4.431 -1.628 -7.517 23 HG23 THR 3 2HG2 THR 3 5.141 -0.536 -8.706 24 H ASP 4 H ASP 4 6.030 -0.476 -3.345 25 HA ASP 4 HA ASP 4 8.565 0.699 -3.126 26 HB2 ASP 4 2HB ASP 4 6.529 -0.231 -1.126 27 HB3 ASP 4 3HB ASP 4 8.099 0.355 -0.585 28 H ILE 5 H ILE 5 7.599 -2.582 -3.009 29 HA ILE 5 HA ILE 5 10.245 -3.346 -1.957 30 HB ILE 5 HB ILE 5 8.035 -5.333 -1.988 31 HG12 ILE 5 2HG1 ILE 5 8.256 -3.093 0.034 32 HG13 ILE 5 3HG1 ILE 5 6.909 -3.388 -1.061 33 HG21 ILE 5 1HG2 ILE 5 10.375 -5.843 -1.295 34 HG22 ILE 5 2HG2 ILE 5 10.158 -4.743 0.065 35 HG23 ILE 5 3HG2 ILE 5 9.164 -6.193 -0.062 36 HD11 ILE 5 3HD1 ILE 5 7.761 -5.013 1.311 37 HD12 ILE 5 1HD1 ILE 5 6.234 -4.171 1.049 38 HD13 ILE 5 2HD1 ILE 5 6.622 -5.608 0.103 39 H LEU 6 H LEU 6 7.672 -4.350 -4.200 40 HA LEU 6 HA LEU 6 9.628 -5.910 -5.719 41 HB2 LEU 6 2HB LEU 6 6.689 -5.923 -5.427 42 HB3 LEU 6 3HB LEU 6 7.316 -6.331 -7.023 43 HG LEU 6 HG LEU 6 8.327 -8.280 -6.265 44 HD11 LEU 6 1HD1 LEU 6 8.634 -8.792 -3.851 45 HD12 LEU 6 2HD1 LEU 6 8.104 -7.152 -3.481 46 HD13 LEU 6 3HD1 LEU 6 9.576 -7.412 -4.416 47 HD21 LEU 6 3HD2 LEU 6 6.128 -8.381 -4.285 48 HD22 LEU 6 1HD2 LEU 6 6.551 -9.510 -5.572 49 HD23 LEU 6 2HD2 LEU 6 5.692 -8.017 -5.955 50 H SER 7 H SER 7 8.883 -5.860 -8.228 51 HA SER 7 HA SER 7 8.946 -3.016 -9.003 52 HB2 SER 7 2HB SER 7 10.680 -5.247 -9.718 53 HB3 SER 7 3HB SER 7 10.020 -4.436 -11.138 54 HG SER 7 HG SER 7 11.743 -3.228 -10.689 55 H ALA 8 H ALA 8 7.433 -2.314 -10.377 56 HA ALA 8 HA ALA 8 5.214 -3.912 -11.050 57 HB1 ALA 8 1HB ALA 8 5.567 -1.546 -12.722 58 HB2 ALA 8 2HB ALA 8 4.261 -1.970 -11.614 59 HB3 ALA 8 3HB ALA 8 5.734 -1.223 -10.996 60 H LYS 9 H LYS 9 8.210 -3.283 -12.671 61 HA LYS 9 HA LYS 9 7.241 -4.314 -15.215 62 HB2 LYS 9 2HB LYS 9 9.055 -2.412 -14.705 63 HB3 LYS 9 3HB LYS 9 10.134 -3.800 -14.758 64 HG2 LYS 9 2HG LYS 9 9.621 -4.260 -16.993 65 HG3 LYS 9 3HG LYS 9 8.175 -3.247 -16.959 66 HD2 LYS 9 2HD LYS 9 9.730 -1.287 -16.547 67 HD3 LYS 9 3HD LYS 9 11.057 -2.378 -16.953 68 HE2 LYS 9 2HE LYS 9 8.702 -1.852 -18.757 69 HE3 LYS 9 3HE LYS 9 10.225 -0.970 -18.852 70 HZ1 LYS 9 3HZ LYS 9 9.655 -3.260 -20.175 71 HZ2 LYS 9 1HZ LYS 9 10.553 -3.825 -18.857 72 HZ3 LYS 9 2HZ LYS 9 11.211 -2.661 -19.892 73 H ASP 10 H ASP 10 8.213 -5.645 -12.379 74 HA ASP 10 HA ASP 10 9.466 -7.964 -13.692 75 HB2 ASP 10 2HB ASP 10 9.601 -7.139 -10.784 76 HB3 ASP 10 3HB ASP 10 10.412 -8.529 -11.500 77 H ILE 11 H ILE 11 6.899 -6.894 -11.573 78 HA ILE 11 HA ILE 11 6.005 -9.391 -10.657 79 HB ILE 11 HB ILE 11 4.466 -6.839 -11.133 80 HG12 ILE 11 2HG1 ILE 11 5.166 -7.954 -8.448 81 HG13 ILE 11 3HG1 ILE 11 6.416 -7.131 -9.374 82 HG21 ILE 11 1HG2 ILE 11 3.630 -9.458 -9.945 83 HG22 ILE 11 2HG2 ILE 11 2.878 -7.948 -9.432 84 HG23 ILE 11 3HG2 ILE 11 2.788 -8.448 -11.120 85 HD11 ILE 11 3HD1 ILE 11 5.255 -5.670 -7.767 86 HD12 ILE 11 1HD1 ILE 11 5.110 -5.118 -9.435 87 HD13 ILE 11 2HD1 ILE 11 3.754 -5.932 -8.654 88 H GLU 12 H GLU 12 4.972 -7.464 -13.465 89 HA GLU 12 HA GLU 12 3.188 -9.523 -14.389 90 HB2 GLU 12 2HB GLU 12 4.089 -6.874 -15.485 91 HB3 GLU 12 3HB GLU 12 3.151 -7.987 -16.472 92 HG2 GLU 12 2HG GLU 12 1.516 -7.993 -14.462 93 HG3 GLU 12 3HG GLU 12 2.343 -6.503 -14.013 94 H SER 13 H SER 13 6.512 -8.802 -14.740 95 HA SER 13 HA SER 13 6.782 -10.325 -17.211 96 HB2 SER 13 2HB SER 13 8.089 -8.157 -16.584 97 HB3 SER 13 3HB SER 13 9.096 -9.244 -15.628 98 HG SER 13 HG SER 13 8.599 -9.379 -18.418 99 H ALA 14 H ALA 14 6.526 -11.027 -14.009 100 HA ALA 14 HA ALA 14 8.198 -13.442 -14.277 101 HB1 ALA 14 1HB ALA 14 8.755 -13.375 -12.005 102 HB2 ALA 14 2HB ALA 14 8.907 -11.702 -12.545 103 HB3 ALA 14 3HB ALA 14 7.484 -12.209 -11.636 104 H LEU 15 H LEU 15 5.097 -12.111 -13.554 105 HA LEU 15 HA LEU 15 3.856 -14.084 -12.093 106 HB2 LEU 15 2HB LEU 15 2.972 -12.099 -14.097 107 HB3 LEU 15 3HB LEU 15 1.856 -13.419 -13.755 108 HG LEU 15 HG LEU 15 3.002 -11.776 -11.526 109 HD11 LEU 15 1HD1 LEU 15 2.081 -9.974 -12.515 110 HD12 LEU 15 2HD1 LEU 15 0.583 -10.654 -11.881 111 HD13 LEU 15 3HD1 LEU 15 1.041 -10.941 -13.560 112 HD21 LEU 15 3HD2 LEU 15 0.863 -13.764 -11.910 113 HD22 LEU 15 1HD2 LEU 15 0.455 -12.392 -10.880 114 HD23 LEU 15 2HD2 LEU 15 1.844 -13.406 -10.487 115 H SER 16 H SER 16 3.490 -13.850 -15.631 116 HA SER 16 HA SER 16 3.257 -16.781 -15.708 117 HB2 SER 16 2HB SER 16 2.021 -14.578 -17.292 118 HB3 SER 16 3HB SER 16 2.336 -16.105 -18.117 119 HG SER 16 HG SER 16 0.798 -15.724 -15.762 120 H SER 17 H SER 17 5.808 -15.910 -15.504 121 HA SER 17 HA SER 17 6.861 -16.311 -18.226 122 HB2 SER 17 2HB SER 17 7.963 -14.368 -18.061 123 HB3 SER 17 3HB SER 17 7.340 -14.125 -16.429 124 HG SER 17 HG SER 17 9.797 -14.484 -17.012 125 H CYS 18 H CYS 18 7.481 -16.704 -14.757 126 HA CYS 18 HA CYS 18 9.320 -18.910 -15.391 127 HB2 CYS 18 2HB CYS 18 9.030 -17.408 -12.782 128 HB3 CYS 18 3HB CYS 18 10.257 -18.609 -13.169 129 HG CYS 18 HG CYS 18 11.685 -16.336 -13.288 130 H GLN 19 H GLN 19 6.456 -19.186 -15.487 131 HA GLN 19 HA GLN 19 6.139 -21.230 -13.401 132 HB2 GLN 19 2HB GLN 19 3.776 -20.625 -13.150 133 HB3 GLN 19 3HB GLN 19 4.829 -19.284 -12.722 134 HG2 GLN 19 2HG GLN 19 4.297 -18.092 -14.654 135 HG3 GLN 19 3HG GLN 19 3.642 -19.516 -15.460 136 HE21 GLN 19 1HE2 GLN 19 3.047 -18.253 -12.213 137 HE22 GLN 19 2HE2 GLN 19 1.348 -18.023 -12.421 138 H ALA 20 H ALA 20 7.006 -21.578 -16.084 139 HA ALA 20 HA ALA 20 4.688 -22.953 -17.278 140 HB1 ALA 20 1HB ALA 20 6.182 -21.044 -18.463 141 HB2 ALA 20 2HB ALA 20 7.052 -22.492 -18.970 142 HB3 ALA 20 3HB ALA 20 5.336 -22.320 -19.339 143 H ALA 21 H ALA 21 5.586 -24.781 -18.840 144 HA ALA 21 HA ALA 21 6.801 -26.718 -17.113 145 HB1 ALA 21 1HB ALA 21 6.412 -28.294 -18.872 146 HB2 ALA 21 2HB ALA 21 4.999 -27.244 -18.750 147 HB3 ALA 21 3HB ALA 21 6.170 -26.999 -20.046 148 H ASP 22 H ASP 22 7.944 -24.497 -19.462 149 HA ASP 22 HA ASP 22 10.662 -25.401 -19.043 150 HB2 ASP 22 2HB ASP 22 11.082 -25.366 -21.568 151 HB3 ASP 22 3HB ASP 22 10.248 -26.774 -20.917 152 H SER 23 H SER 23 9.491 -23.100 -18.151 153 HA SER 23 HA SER 23 10.624 -21.034 -19.924 154 HB2 SER 23 2HB SER 23 9.002 -19.469 -19.093 155 HB3 SER 23 3HB SER 23 8.130 -20.927 -19.567 156 HG SER 23 HG SER 23 8.618 -19.883 -17.023 157 H PHE 24 H PHE 24 10.443 -22.331 -16.695 158 HA PHE 24 HA PHE 24 11.662 -20.270 -15.259 159 HB2 PHE 24 2HB PHE 24 10.640 -22.661 -14.574 160 HB3 PHE 24 3HB PHE 24 12.354 -23.056 -14.509 161 HD1 PHE 24 HD2 PHE 24 13.765 -21.056 -13.304 162 HD2 PHE 24 HD1 PHE 24 9.697 -22.080 -12.579 163 HE1 PHE 24 HE2 PHE 24 13.912 -20.043 -11.067 164 HE2 PHE 24 HE1 PHE 24 9.838 -21.068 -10.341 165 HZ PHE 24 HZ PHE 24 11.948 -20.049 -9.582 166 H ASN 25 H ASN 25 13.362 -19.352 -16.388 167 HA ASN 25 HA ASN 25 15.658 -21.056 -17.023 168 HB2 ASN 25 2HB ASN 25 14.900 -19.566 -18.804 169 HB3 ASN 25 3HB ASN 25 15.082 -18.173 -17.741 170 HD21 ASN 25 1HD2 ASN 25 17.200 -20.962 -18.213 171 HD22 ASN 25 2HD2 ASN 25 18.569 -20.053 -18.747 172 H TYR 26 H TYR 26 17.767 -20.529 -16.305 173 HA TYR 26 HA TYR 26 17.935 -19.772 -13.601 174 HB2 TYR 26 2HB TYR 26 20.435 -19.743 -14.060 175 HB3 TYR 26 3HB TYR 26 19.599 -21.248 -14.426 176 HD1 TYR 26 HD2 TYR 26 20.831 -18.118 -16.024 177 HD2 TYR 26 HD1 TYR 26 19.812 -22.217 -16.536 178 HE1 TYR 26 HE2 TYR 26 21.721 -18.047 -18.316 179 HE2 TYR 26 HE1 TYR 26 20.700 -22.157 -18.829 180 HH TYR 26 HH TYR 26 22.627 -19.642 -19.989 181 H LYS 27 H LYS 27 18.115 -17.955 -16.541 182 HA LYS 27 HA LYS 27 19.338 -15.641 -15.309 183 HB2 LYS 27 2HB LYS 27 19.053 -16.569 -17.930 184 HB3 LYS 27 3HB LYS 27 18.044 -15.131 -17.855 185 HG2 LYS 27 2HG LYS 27 20.297 -14.261 -16.616 186 HG3 LYS 27 3HG LYS 27 20.960 -15.397 -17.793 187 HD2 LYS 27 2HD LYS 27 19.001 -13.215 -18.491 188 HD3 LYS 27 3HD LYS 27 20.753 -13.031 -18.604 189 HE2 LYS 27 2HE LYS 27 19.898 -15.454 -19.904 190 HE3 LYS 27 3HE LYS 27 19.015 -14.066 -20.540 191 HZ1 LYS 27 3HZ LYS 27 21.718 -13.368 -20.289 192 HZ2 LYS 27 1HZ LYS 27 20.795 -13.505 -21.701 193 HZ3 LYS 27 2HZ LYS 27 21.635 -14.847 -21.107 194 H SER 28 H SER 28 16.130 -16.731 -16.225 195 HA SER 28 HA SER 28 14.816 -14.242 -15.857 196 HB2 SER 28 2HB SER 28 14.070 -16.616 -16.933 197 HB3 SER 28 3HB SER 28 13.260 -16.712 -15.370 198 HG SER 28 HG SER 28 13.063 -14.380 -16.933 199 H PHE 29 H PHE 29 15.621 -16.909 -13.727 200 HA PHE 29 HA PHE 29 13.983 -16.261 -11.554 201 HB2 PHE 29 2HB PHE 29 15.091 -18.384 -11.587 202 HB3 PHE 29 3HB PHE 29 16.676 -17.622 -11.678 203 HD1 PHE 29 HD1 PHE 29 17.682 -16.602 -9.713 204 HD2 PHE 29 HD2 PHE 29 13.911 -18.565 -9.505 205 HE1 PHE 29 HE1 PHE 29 17.857 -16.672 -7.260 206 HE2 PHE 29 HE2 PHE 29 14.080 -18.637 -7.051 207 HZ PHE 29 HZ PHE 29 16.054 -17.689 -5.925 208 H PHE 30 H PHE 30 17.042 -14.944 -12.616 209 HA PHE 30 HA PHE 30 17.636 -13.532 -10.216 210 HB2 PHE 30 2HB PHE 30 18.604 -13.032 -13.038 211 HB3 PHE 30 3HB PHE 30 19.307 -12.346 -11.577 212 HD1 PHE 30 HD2 PHE 30 19.182 -14.773 -9.825 213 HD2 PHE 30 HD1 PHE 30 20.396 -14.280 -13.874 214 HE1 PHE 30 HE2 PHE 30 20.658 -16.730 -9.617 215 HE2 PHE 30 HE1 PHE 30 21.873 -16.237 -13.673 216 HZ PHE 30 HZ PHE 30 22.007 -17.464 -11.542 217 H SER 31 H SER 31 15.950 -12.725 -13.202 218 HA SER 31 HA SER 31 15.451 -10.010 -12.243 219 HB2 SER 31 2HB SER 31 14.128 -10.298 -14.669 220 HB3 SER 31 3HB SER 31 15.727 -9.592 -14.435 221 HG SER 31 HG SER 31 16.309 -11.170 -15.709 222 H THR 32 H THR 32 14.212 -12.559 -11.171 223 HA THR 32 HA THR 32 11.551 -12.837 -11.864 224 HB THR 32 HB THR 32 12.773 -14.307 -10.261 225 HG1 THR 32 HG1 THR 32 10.495 -14.411 -10.375 226 HG21 THR 32 3HG2 THR 32 12.092 -12.910 -7.856 227 HG22 THR 32 1HG2 THR 32 13.122 -11.884 -8.853 228 HG23 THR 32 2HG2 THR 32 13.668 -13.496 -8.389 229 H VAL 33 H VAL 33 9.707 -12.273 -10.231 230 HA VAL 33 HA VAL 33 9.103 -9.594 -10.445 231 HB VAL 33 HB VAL 33 7.332 -11.099 -9.971 232 HG11 VAL 33 1HG1 VAL 33 7.336 -12.019 -7.469 233 HG12 VAL 33 2HG1 VAL 33 8.066 -12.907 -8.808 234 HG13 VAL 33 3HG1 VAL 33 9.078 -11.943 -7.732 235 HG21 VAL 33 3HG2 VAL 33 7.463 -8.730 -8.809 236 HG22 VAL 33 1HG2 VAL 33 6.119 -9.831 -8.505 237 HG23 VAL 33 2HG2 VAL 33 7.439 -9.709 -7.342 238 H GLY 34 H GLY 34 11.062 -11.191 -8.069 239 HA2 GLY 34 2HA GLY 34 12.655 -10.018 -6.755 240 HA3 GLY 34 3HA GLY 34 11.649 -8.582 -6.867 241 H LEU 35 H LEU 35 10.396 -11.746 -6.040 242 HA LEU 35 HA LEU 35 9.995 -10.806 -3.277 243 HB2 LEU 35 2HB LEU 35 8.017 -11.192 -5.105 244 HB3 LEU 35 3HB LEU 35 8.073 -12.766 -4.315 245 HG LEU 35 HG LEU 35 7.373 -10.096 -3.140 246 HD11 LEU 35 1HD1 LEU 35 5.560 -11.763 -2.193 247 HD12 LEU 35 2HD1 LEU 35 6.029 -12.703 -3.610 248 HD13 LEU 35 3HD1 LEU 35 5.417 -11.061 -3.805 249 HD21 LEU 35 3HD2 LEU 35 7.330 -11.270 -0.931 250 HD22 LEU 35 1HD2 LEU 35 8.945 -10.977 -1.578 251 HD23 LEU 35 2HD2 LEU 35 8.233 -12.587 -1.681 252 H SER 36 H SER 36 10.294 -13.648 -5.376 253 HA SER 36 HA SER 36 10.597 -15.503 -3.239 254 HB2 SER 36 2HB SER 36 9.869 -16.454 -5.263 255 HB3 SER 36 3HB SER 36 11.111 -15.626 -6.203 256 HG SER 36 HG SER 36 12.276 -17.340 -5.935 257 H SER 37 H SER 37 12.681 -13.224 -4.651 258 HA SER 37 HA SER 37 15.048 -14.603 -3.570 259 HB2 SER 37 2HB SER 37 16.397 -13.410 -5.126 260 HB3 SER 37 3HB SER 37 15.003 -13.985 -6.041 261 HG SER 37 HG SER 37 15.697 -11.392 -5.283 262 H LYS 38 H LYS 38 12.995 -12.878 -2.191 263 HA LYS 38 HA LYS 38 14.643 -10.610 -1.354 264 HB2 LYS 38 2HB LYS 38 11.746 -11.297 -1.150 265 HB3 LYS 38 3HB LYS 38 12.433 -10.222 0.060 266 HG2 LYS 38 2HG LYS 38 12.704 -9.738 -2.893 267 HG3 LYS 38 3HG LYS 38 11.361 -9.116 -1.931 268 HD2 LYS 38 2HD LYS 38 12.955 -7.935 -0.487 269 HD3 LYS 38 3HD LYS 38 14.290 -8.549 -1.465 270 HE2 LYS 38 2HE LYS 38 12.366 -7.323 -3.180 271 HE3 LYS 38 3HE LYS 38 12.747 -6.212 -1.865 272 HZ1 LYS 38 3HZ LYS 38 14.395 -5.704 -3.331 273 HZ2 LYS 38 1HZ LYS 38 14.487 -7.268 -3.971 274 HZ3 LYS 38 2HZ LYS 38 15.179 -6.928 -2.466 275 H THR 39 H THR 39 14.326 -10.113 1.116 276 HA THR 39 HA THR 39 15.444 -12.391 2.515 277 HB THR 39 HB THR 39 15.766 -9.608 2.720 278 HG1 THR 39 HG1 THR 39 17.554 -10.547 3.339 279 HG21 THR 39 3HG2 THR 39 15.297 -9.105 5.031 280 HG22 THR 39 1HG2 THR 39 14.687 -10.736 5.304 281 HG23 THR 39 2HG2 THR 39 13.805 -9.630 4.251 282 HA PRO 40 HA PRO 40 11.868 -13.653 4.727 283 HB2 PRO 40 2HB PRO 40 12.927 -14.344 7.129 284 HB3 PRO 40 3HB PRO 40 13.165 -15.302 5.663 285 HG2 PRO 40 2HG PRO 40 14.999 -13.313 6.945 286 HG3 PRO 40 3HG PRO 40 15.380 -14.899 6.248 287 HD2 PRO 40 2HD PRO 40 15.819 -12.581 4.920 288 HD3 PRO 40 3HD PRO 40 15.386 -14.089 4.090 289 H ASP 41 H ASP 41 11.219 -11.271 4.669 290 HA ASP 41 HA ASP 41 10.229 -10.519 7.186 291 HB2 ASP 41 2HB ASP 41 12.854 -9.822 7.024 292 HB3 ASP 41 3HB ASP 41 12.086 -8.369 6.391 293 H GLN 42 H GLN 42 11.284 -9.299 4.032 294 HA GLN 42 HA GLN 42 9.178 -7.340 3.911 295 HB2 GLN 42 2HB GLN 42 10.869 -8.286 1.604 296 HB3 GLN 42 3HB GLN 42 10.064 -6.734 1.793 297 HG2 GLN 42 2HG GLN 42 12.493 -7.743 3.240 298 HG3 GLN 42 3HG GLN 42 12.370 -6.369 2.143 299 HE21 GLN 42 1HE2 GLN 42 11.731 -4.423 2.912 300 HE22 GLN 42 2HE2 GLN 42 11.391 -4.104 4.575 301 H ILE 43 H ILE 43 9.478 -10.657 3.203 302 HA ILE 43 HA ILE 43 7.612 -10.867 1.079 303 HB ILE 43 HB ILE 43 8.439 -12.925 3.130 304 HG12 ILE 43 2HG1 ILE 43 9.351 -12.513 0.274 305 HG13 ILE 43 3HG1 ILE 43 10.268 -12.041 1.700 306 HG21 ILE 43 1HG2 ILE 43 7.622 -14.166 0.753 307 HG22 ILE 43 2HG2 ILE 43 6.819 -14.208 2.321 308 HG23 ILE 43 3HG2 ILE 43 6.376 -12.979 1.137 309 HD11 ILE 43 3HD1 ILE 43 10.786 -14.276 0.482 310 HD12 ILE 43 1HD1 ILE 43 10.790 -14.207 2.244 311 HD13 ILE 43 2HD1 ILE 43 9.397 -14.872 1.390 312 H LYS 44 H LYS 44 7.289 -11.426 4.583 313 HA LYS 44 HA LYS 44 4.596 -12.080 4.651 314 HB2 LYS 44 2HB LYS 44 4.684 -11.079 7.006 315 HB3 LYS 44 3HB LYS 44 5.800 -12.389 6.645 316 HG2 LYS 44 2HG LYS 44 7.638 -10.947 6.535 317 HG3 LYS 44 3HG LYS 44 6.617 -9.515 6.391 318 HD2 LYS 44 2HD LYS 44 6.312 -11.176 8.832 319 HD3 LYS 44 3HD LYS 44 7.783 -10.212 8.681 320 HE2 LYS 44 2HE LYS 44 6.645 -8.219 8.755 321 HE3 LYS 44 3HE LYS 44 5.157 -8.921 8.123 322 HZ1 LYS 44 3HZ LYS 44 6.206 -9.553 10.821 323 HZ2 LYS 44 1HZ LYS 44 4.664 -9.875 10.204 324 HZ3 LYS 44 2HZ LYS 44 5.127 -8.282 10.534 325 H LYS 45 H LYS 45 6.135 -8.954 4.363 326 HA LYS 45 HA LYS 45 3.840 -7.380 4.933 327 HB2 LYS 45 2HB LYS 45 6.521 -6.896 3.727 328 HB3 LYS 45 3HB LYS 45 5.267 -5.696 3.443 329 HG2 LYS 45 2HG LYS 45 5.696 -6.613 6.231 330 HG3 LYS 45 3HG LYS 45 6.909 -5.555 5.509 331 HD2 LYS 45 2HD LYS 45 5.494 -3.992 6.402 332 HD3 LYS 45 3HD LYS 45 4.781 -4.169 4.796 333 HE2 LYS 45 2HE LYS 45 3.003 -5.437 5.591 334 HE3 LYS 45 3HE LYS 45 3.853 -5.881 7.070 335 HZ1 LYS 45 3HZ LYS 45 1.991 -4.125 7.170 336 HZ2 LYS 45 1HZ LYS 45 3.159 -3.066 6.556 337 HZ3 LYS 45 2HZ LYS 45 3.419 -3.847 8.033 338 H VAL 46 H VAL 46 5.017 -8.998 2.087 339 HA VAL 46 HA VAL 46 3.297 -7.574 0.264 340 HB VAL 46 HB VAL 46 4.894 -10.108 -0.133 341 HG11 VAL 46 1HG1 VAL 46 3.415 -8.367 -2.099 342 HG12 VAL 46 2HG1 VAL 46 4.585 -9.607 -2.555 343 HG13 VAL 46 3HG1 VAL 46 3.098 -10.060 -1.720 344 HG21 VAL 46 3HG2 VAL 46 6.198 -8.037 0.372 345 HG22 VAL 46 1HG2 VAL 46 6.532 -8.739 -1.211 346 HG23 VAL 46 2HG2 VAL 46 5.504 -7.311 -1.078 347 H PHE 47 H PHE 47 3.034 -10.305 2.331 348 HA PHE 47 HA PHE 47 0.882 -11.567 0.893 349 HB2 PHE 47 2HB PHE 47 1.885 -13.202 2.113 350 HB3 PHE 47 3HB PHE 47 2.406 -12.087 3.372 351 HD1 PHE 47 HD2 PHE 47 -0.592 -13.842 2.059 352 HD2 PHE 47 HD1 PHE 47 1.296 -12.016 5.408 353 HE1 PHE 47 HE2 PHE 47 -2.403 -14.649 3.516 354 HE2 PHE 47 HE1 PHE 47 -0.512 -12.821 6.871 355 HZ PHE 47 HZ PHE 47 -2.365 -14.138 5.925 356 H GLY 48 H GLY 48 1.218 -9.183 3.404 357 HA2 GLY 48 2HA GLY 48 -1.414 -9.345 4.455 358 HA3 GLY 48 3HA GLY 48 -0.322 -7.976 4.610 359 H ILE 49 H ILE 49 -0.321 -8.294 1.450 360 HA ILE 49 HA ILE 49 -2.431 -6.315 1.098 361 HB ILE 49 HB ILE 49 -0.490 -7.285 -0.994 362 HG12 ILE 49 2HG1 ILE 49 -0.174 -4.966 0.925 363 HG13 ILE 49 3HG1 ILE 49 0.744 -6.467 0.978 364 HG21 ILE 49 1HG2 ILE 49 -2.154 -4.787 -0.722 365 HG22 ILE 49 2HG2 ILE 49 -0.940 -5.050 -1.972 366 HG23 ILE 49 3HG2 ILE 49 -2.367 -6.084 -1.897 367 HD11 ILE 49 3HD1 ILE 49 1.014 -5.430 -1.626 368 HD12 ILE 49 1HD1 ILE 49 1.266 -4.096 -0.501 369 HD13 ILE 49 2HD1 ILE 49 2.241 -5.560 -0.365 370 H LEU 50 H LEU 50 -1.936 -9.644 0.644 371 HA LEU 50 HA LEU 50 -3.779 -9.947 -1.557 372 HB2 LEU 50 2HB LEU 50 -3.003 -12.242 0.160 373 HB3 LEU 50 3HB LEU 50 -3.191 -12.155 -1.590 374 HG LEU 50 HG LEU 50 -0.851 -11.127 0.013 375 HD11 LEU 50 1HD1 LEU 50 -1.216 -13.493 -1.809 376 HD12 LEU 50 2HD1 LEU 50 -0.757 -13.496 -0.106 377 HD13 LEU 50 3HD1 LEU 50 0.361 -12.873 -1.320 378 HD21 LEU 50 3HD2 LEU 50 -0.277 -11.241 -2.741 379 HD22 LEU 50 1HD2 LEU 50 -0.384 -9.813 -1.710 380 HD23 LEU 50 2HD2 LEU 50 -1.811 -10.383 -2.576 381 H ASP 51 H ASP 51 -3.768 -10.917 1.874 382 HA ASP 51 HA ASP 51 -6.377 -11.884 1.987 383 HB2 ASP 51 2HB ASP 51 -6.126 -11.936 4.294 384 HB3 ASP 51 3HB ASP 51 -4.450 -11.937 3.751 385 H GLN 52 H GLN 52 -7.958 -10.696 3.690 386 HA GLN 52 HA GLN 52 -8.190 -7.860 3.245 387 HB2 GLN 52 2HB GLN 52 -10.641 -8.345 2.360 388 HB3 GLN 52 3HB GLN 52 -9.273 -8.222 1.262 389 HG2 GLN 52 2HG GLN 52 -9.168 -10.522 0.935 390 HG3 GLN 52 3HG GLN 52 -10.117 -10.865 2.382 391 HE21 GLN 52 1HE2 GLN 52 -10.214 -9.845 -0.940 392 HE22 GLN 52 2HE2 GLN 52 -11.913 -10.059 -1.168 393 H ASP 53 H ASP 53 -9.871 -10.808 4.285 394 HA ASP 53 HA ASP 53 -10.263 -9.806 6.918 395 HB2 ASP 53 2HB ASP 53 -12.085 -8.712 5.334 396 HB3 ASP 53 3HB ASP 53 -12.880 -10.268 5.557 397 H LYS 54 H LYS 54 -9.109 -12.108 5.817 398 HA LYS 54 HA LYS 54 -11.011 -14.266 6.345 399 HB2 LYS 54 2HB LYS 54 -8.140 -14.616 5.515 400 HB3 LYS 54 3HB LYS 54 -9.484 -15.730 5.300 401 HG2 LYS 54 2HG LYS 54 -9.054 -13.126 3.853 402 HG3 LYS 54 3HG LYS 54 -8.899 -14.752 3.185 403 HD2 LYS 54 2HD LYS 54 -11.444 -13.562 4.287 404 HD3 LYS 54 3HD LYS 54 -11.032 -13.666 2.574 405 HE2 LYS 54 2HE LYS 54 -10.970 -16.091 2.717 406 HE3 LYS 54 3HE LYS 54 -11.300 -16.017 4.447 407 HZ1 LYS 54 3HZ LYS 54 -13.379 -16.391 3.614 408 HZ2 LYS 54 1HZ LYS 54 -13.106 -15.520 2.189 409 HZ3 LYS 54 2HZ LYS 54 -13.382 -14.699 3.642 410 H SER 55 H SER 55 -10.135 -12.601 8.520 411 HA SER 55 HA SER 55 -9.305 -12.721 10.639 412 HB2 SER 55 2HB SER 55 -10.038 -15.576 10.040 413 HB3 SER 55 3HB SER 55 -9.338 -15.132 11.597 414 HG SER 55 HG SER 55 -11.714 -15.106 11.419 415 H GLY 56 H GLY 56 -7.401 -12.870 8.397 416 HA2 GLY 56 2HA GLY 56 -5.039 -12.737 8.625 417 HA3 GLY 56 3HA GLY 56 -5.129 -13.893 9.945 418 H PHE 57 H PHE 57 -6.588 -15.930 8.816 419 HA PHE 57 HA PHE 57 -4.618 -17.030 6.979 420 HB2 PHE 57 2HB PHE 57 -7.025 -18.434 8.141 421 HB3 PHE 57 3HB PHE 57 -5.580 -19.168 7.454 422 HD1 PHE 57 HD1 PHE 57 -3.351 -18.676 8.661 423 HD2 PHE 57 HD2 PHE 57 -7.184 -18.108 10.423 424 HE1 PHE 57 HE1 PHE 57 -2.332 -18.764 10.899 425 HE2 PHE 57 HE2 PHE 57 -6.171 -18.195 12.663 426 HZ PHE 57 HZ PHE 57 -3.742 -18.523 12.903 427 H ILE 58 H ILE 58 -4.892 -16.689 4.880 428 HA ILE 58 HA ILE 58 -7.436 -16.041 3.738 429 HB ILE 58 HB ILE 58 -4.714 -16.513 2.549 430 HG12 ILE 58 2HG1 ILE 58 -6.470 -14.053 2.546 431 HG13 ILE 58 3HG1 ILE 58 -5.256 -14.379 3.778 432 HG21 ILE 58 1HG2 ILE 58 -6.008 -17.304 0.804 433 HG22 ILE 58 2HG2 ILE 58 -7.350 -16.221 1.172 434 HG23 ILE 58 3HG2 ILE 58 -5.884 -15.586 0.424 435 HD11 ILE 58 3HD1 ILE 58 -3.930 -14.663 1.342 436 HD12 ILE 58 1HD1 ILE 58 -4.950 -13.235 1.166 437 HD13 ILE 58 2HD1 ILE 58 -3.793 -13.334 2.494 438 H GLU 59 H GLU 59 -8.876 -17.333 2.770 439 HA GLU 59 HA GLU 59 -8.316 -20.196 2.704 440 HB2 GLU 59 2HB GLU 59 -10.942 -18.842 2.102 441 HB3 GLU 59 3HB GLU 59 -10.672 -20.523 2.540 442 HG2 GLU 59 2HG GLU 59 -9.981 -19.835 4.776 443 HG3 GLU 59 3HG GLU 59 -10.243 -18.148 4.338 444 H GLU 60 H GLU 60 -9.543 -21.342 0.794 445 HA GLU 60 HA GLU 60 -8.143 -20.724 -1.561 446 HB2 GLU 60 2HB GLU 60 -8.971 -22.980 -1.020 447 HB3 GLU 60 3HB GLU 60 -10.624 -22.421 -1.234 448 HG2 GLU 60 2HG GLU 60 -8.746 -22.031 -3.490 449 HG3 GLU 60 3HG GLU 60 -9.283 -23.674 -3.144 450 H GLU 61 H GLU 61 -10.989 -19.401 -0.258 451 HA GLU 61 HA GLU 61 -12.256 -18.653 -2.709 452 HB2 GLU 61 2HB GLU 61 -12.601 -17.663 0.123 453 HB3 GLU 61 3HB GLU 61 -13.593 -17.128 -1.226 454 HG2 GLU 61 2HG GLU 61 -14.086 -19.631 -1.571 455 HG3 GLU 61 3HG GLU 61 -13.472 -19.819 0.070 456 H GLU 62 H GLU 62 -10.245 -16.940 -0.334 457 HA GLU 62 HA GLU 62 -10.153 -14.573 -2.008 458 HB2 GLU 62 2HB GLU 62 -9.634 -15.197 0.763 459 HB3 GLU 62 3HB GLU 62 -8.280 -14.317 0.069 460 HG2 GLU 62 2HG GLU 62 -9.825 -12.771 1.062 461 HG3 GLU 62 3HG GLU 62 -9.832 -12.568 -0.689 462 H LEU 63 H LEU 63 -8.522 -17.476 -1.870 463 HA LEU 63 HA LEU 63 -5.875 -16.546 -2.463 464 HB2 LEU 63 2HB LEU 63 -6.776 -18.852 -1.510 465 HB3 LEU 63 3HB LEU 63 -6.763 -19.279 -3.220 466 HG LEU 63 HG LEU 63 -4.341 -18.667 -3.277 467 HD11 LEU 63 1HD1 LEU 63 -4.944 -17.655 -0.694 468 HD12 LEU 63 2HD1 LEU 63 -3.419 -17.590 -1.576 469 HD13 LEU 63 3HD1 LEU 63 -3.767 -18.957 -0.517 470 HD21 LEU 63 3HD2 LEU 63 -3.853 -20.810 -2.880 471 HD22 LEU 63 1HD2 LEU 63 -5.561 -20.991 -2.479 472 HD23 LEU 63 2HD2 LEU 63 -4.381 -20.713 -1.199 473 H GLN 64 H GLN 64 -8.735 -17.205 -4.282 474 HA GLN 64 HA GLN 64 -7.503 -17.627 -6.810 475 HB2 GLN 64 2HB GLN 64 -9.673 -17.529 -7.727 476 HB3 GLN 64 3HB GLN 64 -9.880 -18.237 -6.131 477 HG2 GLN 64 2HG GLN 64 -10.493 -15.964 -5.294 478 HG3 GLN 64 3HG GLN 64 -10.480 -15.414 -6.969 479 HE21 GLN 64 1HE2 GLN 64 -11.873 -17.944 -4.916 480 HE22 GLN 64 2HE2 GLN 64 -13.415 -17.969 -5.696 481 H LEU 65 H LEU 65 -7.515 -14.957 -4.898 482 HA LEU 65 HA LEU 65 -7.620 -13.066 -7.142 483 HB2 LEU 65 2HB LEU 65 -7.415 -12.347 -4.234 484 HB3 LEU 65 3HB LEU 65 -7.951 -11.338 -5.577 485 HG LEU 65 HG LEU 65 -9.502 -13.747 -4.660 486 HD11 LEU 65 1HD1 LEU 65 -10.624 -12.557 -3.074 487 HD12 LEU 65 2HD1 LEU 65 -10.304 -11.005 -3.847 488 HD13 LEU 65 3HD1 LEU 65 -9.033 -11.810 -2.926 489 HD21 LEU 65 3HD2 LEU 65 -10.694 -11.325 -5.897 490 HD22 LEU 65 1HD2 LEU 65 -11.161 -13.020 -6.041 491 HD23 LEU 65 2HD2 LEU 65 -9.767 -12.411 -6.934 492 H PHE 66 H PHE 66 -5.389 -14.962 -6.355 493 HA PHE 66 HA PHE 66 -3.245 -13.366 -5.374 494 HB2 PHE 66 2HB PHE 66 -3.228 -15.803 -5.150 495 HB3 PHE 66 3HB PHE 66 -3.196 -15.978 -6.901 496 HD1 PHE 66 HD1 PHE 66 -1.265 -14.984 -3.943 497 HD2 PHE 66 HD2 PHE 66 -1.177 -15.671 -8.143 498 HE1 PHE 66 HE1 PHE 66 1.194 -14.939 -3.895 499 HE2 PHE 66 HE2 PHE 66 1.282 -15.628 -8.102 500 HZ PHE 66 HZ PHE 66 2.471 -15.262 -5.976 501 H LEU 67 H LEU 67 -4.764 -13.615 -8.400 502 HA LEU 67 HA LEU 67 -2.427 -12.672 -9.875 503 HB2 LEU 67 2HB LEU 67 -5.085 -13.783 -10.599 504 HB3 LEU 67 3HB LEU 67 -4.311 -12.690 -11.745 505 HG LEU 67 HG LEU 67 -3.076 -15.236 -10.696 506 HD11 LEU 67 1HD1 LEU 67 -5.005 -14.754 -12.809 507 HD12 LEU 67 2HD1 LEU 67 -4.453 -16.273 -12.103 508 HD13 LEU 67 3HD1 LEU 67 -3.530 -15.517 -13.402 509 HD21 LEU 67 3HD2 LEU 67 -1.712 -14.732 -12.896 510 HD22 LEU 67 1HD2 LEU 67 -1.263 -14.009 -11.351 511 HD23 LEU 67 2HD2 LEU 67 -2.181 -13.072 -12.530 512 H LYS 68 H LYS 68 -4.476 -11.238 -7.899 513 HA LYS 68 HA LYS 68 -5.058 -8.922 -9.597 514 HB2 LYS 68 2HB LYS 68 -5.936 -9.444 -6.753 515 HB3 LYS 68 3HB LYS 68 -6.526 -8.176 -7.819 516 HG2 LYS 68 2HG LYS 68 -6.813 -11.061 -8.560 517 HG3 LYS 68 3HG LYS 68 -7.965 -10.276 -7.477 518 HD2 LYS 68 2HD LYS 68 -7.630 -8.522 -9.637 519 HD3 LYS 68 3HD LYS 68 -7.761 -10.133 -10.345 520 HE2 LYS 68 2HE LYS 68 -9.818 -10.499 -9.014 521 HE3 LYS 68 3HE LYS 68 -9.702 -8.838 -8.433 522 HZ1 LYS 68 3HZ LYS 68 -9.962 -8.039 -10.669 523 HZ2 LYS 68 1HZ LYS 68 -11.237 -9.093 -10.315 524 HZ3 LYS 68 2HZ LYS 68 -9.955 -9.613 -11.288 525 H ASN 69 H ASN 69 -3.444 -9.785 -6.561 526 HA ASN 69 HA ASN 69 -2.507 -7.168 -5.994 527 HB2 ASN 69 2HB ASN 69 -2.644 -8.740 -4.192 528 HB3 ASN 69 3HB ASN 69 -1.615 -9.892 -5.039 529 HD21 ASN 69 1HD2 ASN 69 0.581 -9.633 -5.012 530 HD22 ASN 69 2HD2 ASN 69 1.383 -8.477 -4.010 531 H PHE 70 H PHE 70 -1.471 -9.613 -8.159 532 HA PHE 70 HA PHE 70 1.186 -8.410 -8.440 533 HB2 PHE 70 2HB PHE 70 0.009 -10.977 -9.514 534 HB3 PHE 70 3HB PHE 70 1.607 -10.383 -9.955 535 HD1 PHE 70 HD2 PHE 70 -0.433 -11.187 -6.941 536 HD2 PHE 70 HD1 PHE 70 3.427 -11.081 -8.733 537 HE1 PHE 70 HE2 PHE 70 0.516 -12.285 -4.955 538 HE2 PHE 70 HE1 PHE 70 4.382 -12.179 -6.750 539 HZ PHE 70 HZ PHE 70 2.926 -12.782 -4.856 540 H SER 71 H SER 71 -1.535 -9.449 -10.493 541 HA SER 71 HA SER 71 -0.675 -7.458 -12.487 542 HB2 SER 71 2HB SER 71 -1.094 -10.149 -12.860 543 HB3 SER 71 3HB SER 71 -2.635 -9.459 -13.369 544 HG SER 71 HG SER 71 -0.873 -9.645 -14.993 545 H SER 72 H SER 72 -2.278 -6.202 -13.543 546 HA SER 72 HA SER 72 -4.711 -5.848 -11.924 547 HB2 SER 72 2HB SER 72 -4.743 -3.531 -12.838 548 HB3 SER 72 3HB SER 72 -3.284 -3.881 -11.911 549 HG SER 72 HG SER 72 -2.123 -3.998 -13.764 550 H SER 73 H SER 73 -3.771 -7.282 -14.679 551 HA SER 73 HA SER 73 -6.116 -6.462 -16.242 552 HB2 SER 73 2HB SER 73 -3.870 -6.460 -17.349 553 HB3 SER 73 3HB SER 73 -3.799 -8.206 -17.111 554 HG SER 73 HG SER 73 -5.023 -6.826 -19.051 555 H ALA 74 H ALA 74 -4.525 -9.304 -14.870 556 HA ALA 74 HA ALA 74 -6.256 -11.274 -15.818 557 HB1 ALA 74 1HB ALA 74 -4.236 -11.968 -14.813 558 HB2 ALA 74 2HB ALA 74 -4.602 -11.117 -13.312 559 HB3 ALA 74 3HB ALA 74 -5.525 -12.551 -13.759 560 H ARG 75 H ARG 75 -7.604 -12.632 -14.131 561 HA ARG 75 HA ARG 75 -9.447 -10.759 -12.797 562 HB2 ARG 75 2HB ARG 75 -10.992 -12.944 -13.220 563 HB3 ARG 75 3HB ARG 75 -10.904 -11.575 -14.319 564 HG2 ARG 75 2HG ARG 75 -9.577 -12.705 -15.835 565 HG3 ARG 75 3HG ARG 75 -9.009 -13.861 -14.629 566 HD2 ARG 75 2HD ARG 75 -11.220 -14.887 -14.556 567 HD3 ARG 75 3HD ARG 75 -11.814 -13.710 -15.727 568 HE ARG 75 HE ARG 75 -9.740 -14.857 -17.020 569 HH11 ARG 75 1HH1 ARG 75 -12.515 -16.146 -15.359 570 HH12 ARG 75 2HH1 ARG 75 -12.619 -17.559 -16.356 571 HH21 ARG 75 1HH2 ARG 75 -9.867 -16.713 -18.340 572 HH22 ARG 75 2HH2 ARG 75 -11.111 -17.881 -18.051 573 H VAL 76 H VAL 76 -8.865 -14.278 -12.763 574 HA VAL 76 HA VAL 76 -8.089 -14.229 -9.990 575 HB VAL 76 HB VAL 76 -9.959 -15.955 -9.451 576 HG11 VAL 76 1HG1 VAL 76 -9.606 -13.615 -8.520 577 HG12 VAL 76 2HG1 VAL 76 -10.830 -13.088 -9.677 578 HG13 VAL 76 3HG1 VAL 76 -11.242 -14.268 -8.432 579 HG21 VAL 76 3HG2 VAL 76 -11.387 -14.353 -11.565 580 HG22 VAL 76 1HG2 VAL 76 -10.769 -15.985 -11.827 581 HG23 VAL 76 2HG2 VAL 76 -12.020 -15.698 -10.617 582 H LEU 77 H LEU 77 -7.775 -16.522 -9.162 583 HA LEU 77 HA LEU 77 -6.172 -17.944 -11.021 584 HB2 LEU 77 2HB LEU 77 -7.200 -18.840 -8.332 585 HB3 LEU 77 3HB LEU 77 -5.870 -19.566 -9.232 586 HG LEU 77 HG LEU 77 -5.947 -16.955 -7.760 587 HD11 LEU 77 1HD1 LEU 77 -3.671 -17.964 -7.048 588 HD12 LEU 77 2HD1 LEU 77 -4.337 -19.473 -7.673 589 HD13 LEU 77 3HD1 LEU 77 -5.158 -18.622 -6.364 590 HD21 LEU 77 3HD2 LEU 77 -3.960 -17.779 -9.874 591 HD22 LEU 77 1HD2 LEU 77 -3.763 -16.422 -8.764 592 HD23 LEU 77 2HD2 LEU 77 -5.069 -16.410 -9.949 593 H THR 78 H THR 78 -6.458 -20.417 -11.210 594 HA THR 78 HA THR 78 -9.283 -21.065 -11.724 595 HB THR 78 HB THR 78 -8.069 -20.489 -13.844 596 HG1 THR 78 HG1 THR 78 -9.041 -22.163 -14.919 597 HG21 THR 78 3HG2 THR 78 -6.446 -22.061 -14.733 598 HG22 THR 78 1HG2 THR 78 -6.560 -23.043 -13.273 599 HG23 THR 78 2HG2 THR 78 -5.875 -21.420 -13.193 600 H SER 79 H SER 79 -9.050 -23.622 -12.596 601 HA SER 79 HA SER 79 -8.469 -25.022 -10.168 602 HB2 SER 79 2HB SER 79 -9.236 -27.015 -11.387 603 HB3 SER 79 3HB SER 79 -10.358 -25.672 -11.604 604 HG SER 79 HG SER 79 -9.839 -25.549 -13.663 605 H ALA 80 H ALA 80 -6.127 -24.076 -10.493 606 HA ALA 80 HA ALA 80 -4.400 -26.259 -10.814 607 HB1 ALA 80 1HB ALA 80 -3.459 -24.553 -12.923 608 HB2 ALA 80 2HB ALA 80 -3.815 -26.280 -12.955 609 HB3 ALA 80 3HB ALA 80 -5.096 -25.110 -13.271 610 H GLU 81 H GLU 81 -4.566 -22.731 -11.226 611 HA GLU 81 HA GLU 81 -1.957 -22.273 -10.169 612 HB2 GLU 81 2HB GLU 81 -4.265 -20.344 -10.471 613 HB3 GLU 81 3HB GLU 81 -2.586 -19.906 -10.185 614 HG2 GLU 81 2HG GLU 81 -2.025 -21.037 -12.352 615 HG3 GLU 81 3HG GLU 81 -3.758 -21.178 -12.642 616 H THR 82 H THR 82 -5.233 -21.817 -8.858 617 HA THR 82 HA THR 82 -4.450 -20.919 -6.316 618 HB THR 82 HB THR 82 -6.908 -22.519 -6.334 619 HG1 THR 82 HG1 THR 82 -7.661 -21.813 -8.171 620 HG21 THR 82 3HG2 THR 82 -7.013 -19.599 -6.019 621 HG22 THR 82 1HG2 THR 82 -5.926 -20.423 -4.902 622 HG23 THR 82 2HG2 THR 82 -7.630 -20.875 -4.970 623 H LYS 83 H LYS 83 -4.944 -24.158 -7.608 624 HA LYS 83 HA LYS 83 -4.716 -25.496 -5.100 625 HB2 LYS 83 2HB LYS 83 -4.263 -26.608 -7.874 626 HB3 LYS 83 3HB LYS 83 -4.578 -27.537 -6.415 627 HG2 LYS 83 2HG LYS 83 -6.774 -26.138 -6.331 628 HG3 LYS 83 3HG LYS 83 -6.444 -25.881 -8.046 629 HD2 LYS 83 2HD LYS 83 -6.463 -28.240 -8.468 630 HD3 LYS 83 3HD LYS 83 -6.557 -28.597 -6.741 631 HE2 LYS 83 2HE LYS 83 -8.766 -27.776 -6.595 632 HE3 LYS 83 3HE LYS 83 -8.666 -27.006 -8.177 633 HZ1 LYS 83 3HZ LYS 83 -8.198 -29.556 -8.811 634 HZ2 LYS 83 1HZ LYS 83 -9.736 -28.850 -8.832 635 HZ3 LYS 83 2HZ LYS 83 -9.242 -29.761 -7.496 636 H ALA 84 H ALA 84 -2.471 -24.928 -7.794 637 HA ALA 84 HA ALA 84 -0.275 -26.273 -6.613 638 HB1 ALA 84 1HB ALA 84 0.047 -24.038 -8.580 639 HB2 ALA 84 2HB ALA 84 0.987 -25.521 -8.412 640 HB3 ALA 84 3HB ALA 84 -0.647 -25.583 -9.072 641 H PHE 85 H PHE 85 -1.774 -23.378 -5.817 642 HA PHE 85 HA PHE 85 0.670 -22.243 -4.651 643 HB2 PHE 85 2HB PHE 85 -0.751 -20.782 -6.105 644 HB3 PHE 85 3HB PHE 85 -2.047 -20.946 -4.925 645 HD1 PHE 85 HD1 PHE 85 1.448 -19.771 -5.323 646 HD2 PHE 85 HD2 PHE 85 -2.165 -19.521 -3.087 647 HE1 PHE 85 HE1 PHE 85 2.364 -17.866 -4.064 648 HE2 PHE 85 HE2 PHE 85 -1.256 -17.615 -1.825 649 HZ PHE 85 HZ PHE 85 1.011 -16.785 -2.313 650 H LEU 86 H LEU 86 -2.691 -23.043 -3.828 651 HA LEU 86 HA LEU 86 -2.471 -22.466 -1.074 652 HB2 LEU 86 2HB LEU 86 -4.554 -22.873 -2.587 653 HB3 LEU 86 3HB LEU 86 -4.328 -24.559 -2.125 654 HG LEU 86 HG LEU 86 -4.490 -22.504 0.026 655 HD11 LEU 86 1HD1 LEU 86 -7.089 -23.556 -0.506 656 HD12 LEU 86 2HD1 LEU 86 -6.486 -22.739 -1.948 657 HD13 LEU 86 3HD1 LEU 86 -6.567 -21.874 -0.414 658 HD21 LEU 86 3HD2 LEU 86 -4.933 -24.271 1.355 659 HD22 LEU 86 1HD2 LEU 86 -4.165 -25.179 0.052 660 HD23 LEU 86 2HD2 LEU 86 -5.924 -25.077 0.138 661 H ALA 87 H ALA 87 -2.466 -25.605 -2.770 662 HA ALA 87 HA ALA 87 -1.805 -27.131 -0.489 663 HB1 ALA 87 1HB ALA 87 -1.272 -28.922 -2.100 664 HB2 ALA 87 2HB ALA 87 -2.831 -28.160 -2.418 665 HB3 ALA 87 3HB ALA 87 -1.434 -27.757 -3.415 666 H ALA 88 H ALA 88 0.058 -25.039 -2.396 667 HA ALA 88 HA ALA 88 2.580 -26.367 -1.747 668 HB1 ALA 88 1HB ALA 88 3.617 -24.701 -3.198 669 HB2 ALA 88 2HB ALA 88 2.295 -25.529 -4.023 670 HB3 ALA 88 3HB ALA 88 2.059 -23.897 -3.397 671 H GLY 89 H GLY 89 0.632 -23.631 -0.831 672 HA2 GLY 89 2HA GLY 89 2.805 -22.523 0.795 673 HA3 GLY 89 3HA GLY 89 1.264 -21.746 0.463 674 H ASP 90 H ASP 90 -0.642 -23.309 1.280 675 HA ASP 90 HA ASP 90 -0.708 -23.119 4.029 676 HB2 ASP 90 2HB ASP 90 -2.786 -23.394 2.986 677 HB3 ASP 90 3HB ASP 90 -2.251 -24.811 2.085 678 H THR 91 H THR 91 0.852 -23.969 5.279 679 HA THR 91 HA THR 91 1.539 -26.807 4.915 680 HB THR 91 HB THR 91 3.502 -26.210 6.449 681 HG1 THR 91 HG1 THR 91 2.949 -24.220 7.223 682 HG21 THR 91 3HG2 THR 91 4.474 -24.761 4.362 683 HG22 THR 91 1HG2 THR 91 3.093 -25.560 3.611 684 HG23 THR 91 2HG2 THR 91 4.354 -26.520 4.385 685 H ASP 92 H ASP 92 0.347 -24.436 7.191 686 HA ASP 92 HA ASP 92 -0.530 -26.593 8.943 687 HB2 ASP 92 2HB ASP 92 1.770 -25.603 9.673 688 HB3 ASP 92 3HB ASP 92 0.811 -24.227 10.211 689 H GLY 93 H GLY 93 -1.621 -24.427 7.102 690 HA2 GLY 93 2HA GLY 93 -3.184 -22.826 8.984 691 HA3 GLY 93 3HA GLY 93 -3.130 -22.619 7.240 692 H ASP 94 H ASP 94 -3.469 -25.766 7.361 693 HA ASP 94 HA ASP 94 -5.183 -27.239 7.098 694 HB2 ASP 94 2HB ASP 94 -5.623 -26.477 9.493 695 HB3 ASP 94 3HB ASP 94 -6.859 -25.417 8.822 696 H GLY 95 H GLY 95 -4.966 -25.966 4.908 697 HA2 GLY 95 2HA GLY 95 -6.381 -25.757 3.025 698 HA3 GLY 95 3HA GLY 95 -7.712 -25.359 4.101 699 H LYS 96 H LYS 96 -5.902 -23.421 5.538 700 HA LYS 96 HA LYS 96 -6.173 -21.237 3.584 701 HB2 LYS 96 2HB LYS 96 -5.961 -20.913 6.572 702 HB3 LYS 96 3HB LYS 96 -6.535 -19.743 5.392 703 HG2 LYS 96 2HG LYS 96 -8.486 -21.185 4.955 704 HG3 LYS 96 3HG LYS 96 -7.921 -22.288 6.211 705 HD2 LYS 96 2HD LYS 96 -8.332 -19.386 6.820 706 HD3 LYS 96 3HD LYS 96 -9.706 -20.495 6.795 707 HE2 LYS 96 2HE LYS 96 -8.561 -21.916 8.444 708 HE3 LYS 96 3HE LYS 96 -7.221 -20.771 8.486 709 HZ1 LYS 96 3HZ LYS 96 -9.953 -20.465 9.531 710 HZ2 LYS 96 1HZ LYS 96 -9.078 -19.090 9.077 711 HZ3 LYS 96 2HZ LYS 96 -8.476 -20.118 10.278 712 H ILE 97 H ILE 97 -4.630 -19.336 4.159 713 HA ILE 97 HA ILE 97 -1.973 -20.351 4.887 714 HB ILE 97 HB ILE 97 -2.610 -18.748 2.409 715 HG12 ILE 97 2HG1 ILE 97 -1.358 -21.476 2.798 716 HG13 ILE 97 3HG1 ILE 97 -2.975 -21.159 2.179 717 HG21 ILE 97 1HG2 ILE 97 -0.184 -18.756 1.996 718 HG22 ILE 97 2HG2 ILE 97 -0.613 -17.859 3.452 719 HG23 ILE 97 3HG2 ILE 97 0.069 -19.480 3.584 720 HD11 ILE 97 3HD1 ILE 97 -0.400 -20.337 0.858 721 HD12 ILE 97 1HD1 ILE 97 -1.411 -21.705 0.395 722 HD13 ILE 97 2HD1 ILE 97 -2.025 -20.060 0.232 723 H GLY 98 H GLY 98 -0.611 -18.873 5.863 724 HA2 GLY 98 2HA GLY 98 -1.814 -16.234 6.438 725 HA3 GLY 98 3HA GLY 98 -0.937 -17.167 7.642 726 H VAL 99 H VAL 99 1.071 -16.521 7.996 727 HA VAL 99 HA VAL 99 2.475 -15.078 5.845 728 HB VAL 99 HB VAL 99 3.869 -14.578 8.193 729 HG11 VAL 99 1HG1 VAL 99 3.412 -12.373 7.730 730 HG12 VAL 99 2HG1 VAL 99 3.052 -13.122 6.173 731 HG13 VAL 99 3HG1 VAL 99 1.740 -12.702 7.276 732 HG21 VAL 99 3HG2 VAL 99 2.147 -13.743 9.748 733 HG22 VAL 99 1HG2 VAL 99 0.902 -14.459 8.723 734 HG23 VAL 99 2HG2 VAL 99 2.075 -15.492 9.540 735 H GLU 100 H GLU 100 3.190 -17.110 8.692 736 HA GLU 100 HA GLU 100 5.790 -17.799 8.003 737 HB2 GLU 100 2HB GLU 100 3.800 -18.694 9.899 738 HB3 GLU 100 3HB GLU 100 4.714 -20.057 9.270 739 HG2 GLU 100 2HG GLU 100 6.775 -18.548 9.795 740 HG3 GLU 100 3HG GLU 100 5.648 -17.729 10.875 741 H GLU 101 H GLU 101 2.761 -18.998 6.794 742 HA GLU 101 HA GLU 101 4.008 -21.260 5.460 743 HB2 GLU 101 2HB GLU 101 1.158 -20.329 5.154 744 HB3 GLU 101 3HB GLU 101 1.812 -21.928 4.831 745 HG2 GLU 101 2HG GLU 101 0.815 -22.320 6.830 746 HG3 GLU 101 3HG GLU 101 2.412 -21.828 7.392 747 H PHE 102 H PHE 102 3.228 -17.996 4.817 748 HA PHE 102 HA PHE 102 3.007 -18.261 1.962 749 HB2 PHE 102 2HB PHE 102 1.885 -16.436 3.206 750 HB3 PHE 102 3HB PHE 102 3.462 -15.781 3.635 751 HD1 PHE 102 HD1 PHE 102 1.137 -16.418 0.850 752 HD2 PHE 102 HD2 PHE 102 4.710 -14.473 2.104 753 HE1 PHE 102 HE1 PHE 102 1.152 -15.109 -1.234 754 HE2 PHE 102 HE2 PHE 102 4.730 -13.161 0.023 755 HZ PHE 102 HZ PHE 102 2.950 -13.477 -1.649 756 H GLN 103 H GLN 103 5.387 -16.572 4.017 757 HA GLN 103 HA GLN 103 7.299 -16.149 2.051 758 HB2 GLN 103 2HB GLN 103 8.916 -15.923 3.913 759 HB3 GLN 103 3HB GLN 103 7.426 -15.031 4.192 760 HG2 GLN 103 2HG GLN 103 6.660 -16.615 5.767 761 HG3 GLN 103 3HG GLN 103 7.912 -17.771 5.318 762 HE21 GLN 103 1HE2 GLN 103 8.122 -17.667 7.737 763 HE22 GLN 103 2HE2 GLN 103 9.231 -16.507 8.376 764 H SER 104 H SER 104 6.609 -19.003 3.938 765 HA SER 104 HA SER 104 9.018 -20.396 3.432 766 HB2 SER 104 2HB SER 104 7.548 -21.097 5.231 767 HB3 SER 104 3HB SER 104 6.247 -21.426 4.086 768 HG SER 104 HG SER 104 7.068 -23.361 4.074 769 H LEU 105 H LEU 105 6.421 -19.582 1.419 770 HA LEU 105 HA LEU 105 7.015 -21.758 -0.459 771 HB2 LEU 105 2HB LEU 105 4.695 -21.596 -0.032 772 HB3 LEU 105 3HB LEU 105 4.711 -19.843 -0.215 773 HG LEU 105 HG LEU 105 5.433 -21.506 -2.575 774 HD11 LEU 105 1HD1 LEU 105 3.540 -22.723 -2.122 775 HD12 LEU 105 2HD1 LEU 105 2.869 -21.392 -3.064 776 HD13 LEU 105 3HD1 LEU 105 2.738 -21.382 -1.306 777 HD21 LEU 105 3HD2 LEU 105 5.178 -18.843 -2.159 778 HD22 LEU 105 1HD2 LEU 105 3.564 -19.244 -2.745 779 HD23 LEU 105 2HD2 LEU 105 4.978 -19.628 -3.726 780 H VAL 106 H VAL 106 6.865 -18.242 -0.187 781 HA VAL 106 HA VAL 106 7.514 -17.644 -2.864 782 HB VAL 106 HB VAL 106 8.155 -15.973 -0.431 783 HG11 VAL 106 1HG1 VAL 106 9.142 -14.704 -1.993 784 HG12 VAL 106 2HG1 VAL 106 8.350 -15.553 -3.321 785 HG13 VAL 106 3HG1 VAL 106 7.498 -14.271 -2.460 786 HG21 VAL 106 3HG2 VAL 106 5.630 -16.808 -1.423 787 HG22 VAL 106 1HG2 VAL 106 5.978 -15.671 -0.121 788 HG23 VAL 106 2HG2 VAL 106 5.814 -15.090 -1.778 789 H LYS 107 H LYS 107 9.536 -17.992 0.032 790 HA LYS 107 HA LYS 107 11.988 -17.332 -1.156 791 HB2 LYS 107 2HB LYS 107 11.495 -19.246 1.132 792 HB3 LYS 107 3HB LYS 107 13.022 -18.463 0.749 793 HG2 LYS 107 2HG LYS 107 12.313 -16.405 1.505 794 HG3 LYS 107 3HG LYS 107 10.606 -16.799 1.293 795 HD2 LYS 107 2HD LYS 107 10.888 -16.858 3.603 796 HD3 LYS 107 3HD LYS 107 11.010 -18.556 3.138 797 HE2 LYS 107 2HE LYS 107 13.536 -18.141 3.022 798 HE3 LYS 107 3HE LYS 107 13.203 -16.655 3.909 799 HZ1 LYS 107 3HZ LYS 107 12.334 -17.887 5.719 800 HZ2 LYS 107 1HZ LYS 107 13.810 -18.607 5.310 801 HZ3 LYS 107 2HZ LYS 107 12.356 -19.337 4.848 802 H ALA 108 H ALA 108 10.010 -20.087 -1.520 803 HA ALA 108 HA ALA 108 12.197 -21.790 -2.426 804 HB1 ALA 108 1HB ALA 108 10.202 -22.580 -1.018 805 HB2 ALA 108 2HB ALA 108 9.289 -22.516 -2.526 806 HB3 ALA 108 3HB ALA 108 10.693 -23.574 -2.390 Start of MODEL 5 1 H1 ALA 1 H ALA 1 0.016 -0.105 -0.681 2 HA ALA 1 HA ALA 1 0.003 -0.735 -3.562 3 HB1 ALA 1 1HB ALA 1 0.569 1.625 -3.070 4 HB2 ALA 1 2HB ALA 1 1.956 1.064 -2.135 5 HB3 ALA 1 3HB ALA 1 1.875 0.747 -3.868 6 H ILE 2 H ILE 2 1.884 -1.837 -4.383 7 HA ILE 2 HA ILE 2 3.236 -3.457 -2.324 8 HB ILE 2 HB ILE 2 1.716 -4.806 -3.679 9 HG12 ILE 2 2HG1 ILE 2 3.341 -6.496 -4.451 10 HG13 ILE 2 3HG1 ILE 2 4.628 -5.300 -4.340 11 HG21 ILE 2 1HG2 ILE 2 1.428 -4.483 -5.856 12 HG22 ILE 2 2HG2 ILE 2 2.580 -3.152 -5.768 13 HG23 ILE 2 3HG2 ILE 2 3.138 -4.775 -6.171 14 HD11 ILE 2 3HD1 ILE 2 4.306 -5.151 -1.941 15 HD12 ILE 2 1HD1 ILE 2 2.975 -6.304 -2.035 16 HD13 ILE 2 2HD1 ILE 2 4.616 -6.817 -2.431 17 H THR 3 H THR 3 3.592 -1.453 -5.121 18 HA THR 3 HA THR 3 6.155 -2.157 -5.974 19 HB THR 3 HB THR 3 6.315 0.122 -6.905 20 HG1 THR 3 HG1 THR 3 5.156 1.684 -6.076 21 HG21 THR 3 3HG2 THR 3 3.592 -0.228 -7.671 22 HG22 THR 3 1HG2 THR 3 4.323 -1.819 -7.465 23 HG23 THR 3 2HG2 THR 3 5.051 -0.650 -8.567 24 H ASP 4 H ASP 4 5.110 -0.438 -3.163 25 HA ASP 4 HA ASP 4 7.408 1.041 -2.563 26 HB2 ASP 4 2HB ASP 4 5.197 -0.126 -0.906 27 HB3 ASP 4 3HB ASP 4 6.578 0.632 -0.118 28 H ILE 5 H ILE 5 6.845 -2.340 -2.494 29 HA ILE 5 HA ILE 5 9.379 -2.746 -1.043 30 HB ILE 5 HB ILE 5 7.439 -4.985 -1.307 31 HG12 ILE 5 2HG1 ILE 5 7.131 -2.700 0.651 32 HG13 ILE 5 3HG1 ILE 5 5.986 -3.170 -0.600 33 HG21 ILE 5 1HG2 ILE 5 9.700 -5.223 -0.295 34 HG22 ILE 5 2HG2 ILE 5 9.196 -4.115 0.980 35 HG23 ILE 5 3HG2 ILE 5 8.382 -5.668 0.789 36 HD11 ILE 5 3HD1 ILE 5 5.108 -4.003 1.399 37 HD12 ILE 5 1HD1 ILE 5 5.831 -5.399 0.601 38 HD13 ILE 5 2HD1 ILE 5 6.674 -4.610 1.935 39 H LEU 6 H LEU 6 7.303 -4.057 -3.614 40 HA LEU 6 HA LEU 6 9.602 -5.460 -4.752 41 HB2 LEU 6 2HB LEU 6 6.699 -5.775 -4.836 42 HB3 LEU 6 3HB LEU 6 7.473 -5.968 -6.407 43 HG LEU 6 HG LEU 6 8.765 -7.810 -5.638 44 HD11 LEU 6 1HD1 LEU 6 8.311 -6.622 -3.053 45 HD12 LEU 6 2HD1 LEU 6 9.521 -7.803 -3.552 46 HD13 LEU 6 3HD1 LEU 6 7.924 -8.343 -3.035 47 HD21 LEU 6 3HD2 LEU 6 5.978 -8.091 -4.518 48 HD22 LEU 6 1HD2 LEU 6 7.051 -9.401 -5.012 49 HD23 LEU 6 2HD2 LEU 6 6.418 -8.279 -6.216 50 H SER 7 H SER 7 9.231 -5.500 -7.366 51 HA SER 7 HA SER 7 9.272 -2.665 -8.175 52 HB2 SER 7 2HB SER 7 11.174 -4.844 -8.626 53 HB3 SER 7 3HB SER 7 10.718 -4.006 -10.109 54 HG SER 7 HG SER 7 11.140 -2.038 -8.675 55 H ALA 8 H ALA 8 7.880 -2.060 -9.699 56 HA ALA 8 HA ALA 8 5.909 -3.807 -10.700 57 HB1 ALA 8 1HB ALA 8 4.891 -1.938 -11.404 58 HB2 ALA 8 2HB ALA 8 6.158 -1.103 -10.504 59 HB3 ALA 8 3HB ALA 8 6.328 -1.352 -12.242 60 H LYS 9 H LYS 9 9.062 -3.001 -11.824 61 HA LYS 9 HA LYS 9 8.552 -3.920 -14.535 62 HB2 LYS 9 2HB LYS 9 10.231 -2.043 -13.629 63 HB3 LYS 9 3HB LYS 9 11.320 -3.423 -13.571 64 HG2 LYS 9 2HG LYS 9 11.624 -2.342 -15.664 65 HG3 LYS 9 3HG LYS 9 10.776 -3.860 -15.965 66 HD2 LYS 9 2HD LYS 9 8.825 -2.814 -16.543 67 HD3 LYS 9 3HD LYS 9 9.147 -1.413 -15.519 68 HE2 LYS 9 2HE LYS 9 9.478 -0.478 -17.577 69 HE3 LYS 9 3HE LYS 9 11.113 -1.044 -17.238 70 HZ1 LYS 9 3HZ LYS 9 10.899 -1.985 -19.250 71 HZ2 LYS 9 1HZ LYS 9 9.207 -1.970 -19.215 72 HZ3 LYS 9 2HZ LYS 9 10.058 -3.192 -18.414 73 H ASP 10 H ASP 10 9.280 -5.304 -11.578 74 HA ASP 10 HA ASP 10 10.655 -7.590 -12.816 75 HB2 ASP 10 2HB ASP 10 10.431 -6.773 -9.912 76 HB3 ASP 10 3HB ASP 10 11.225 -8.239 -10.478 77 H ILE 11 H ILE 11 7.840 -6.635 -10.960 78 HA ILE 11 HA ILE 11 6.869 -9.188 -10.309 79 HB ILE 11 HB ILE 11 5.329 -6.639 -10.812 80 HG12 ILE 11 2HG1 ILE 11 5.811 -7.772 -8.098 81 HG13 ILE 11 3HG1 ILE 11 7.159 -6.974 -8.902 82 HG21 ILE 11 1HG2 ILE 11 4.470 -9.213 -9.499 83 HG22 ILE 11 2HG2 ILE 11 3.548 -7.711 -9.475 84 HG23 ILE 11 3HG2 ILE 11 3.849 -8.535 -11.004 85 HD11 ILE 11 3HD1 ILE 11 5.748 -5.559 -7.360 86 HD12 ILE 11 1HD1 ILE 11 6.028 -4.919 -8.979 87 HD13 ILE 11 2HD1 ILE 11 4.480 -5.666 -8.581 88 H GLU 12 H GLU 12 6.406 -7.164 -13.169 89 HA GLU 12 HA GLU 12 4.487 -8.850 -14.409 90 HB2 GLU 12 2HB GLU 12 6.179 -6.552 -15.266 91 HB3 GLU 12 3HB GLU 12 5.468 -7.561 -16.517 92 HG2 GLU 12 2HG GLU 12 3.302 -6.988 -15.931 93 HG3 GLU 12 3HG GLU 12 3.773 -6.462 -14.316 94 H SER 13 H SER 13 7.926 -8.932 -14.157 95 HA SER 13 HA SER 13 8.265 -10.730 -16.407 96 HB2 SER 13 2HB SER 13 10.221 -9.715 -14.332 97 HB3 SER 13 3HB SER 13 10.657 -10.755 -15.687 98 HG SER 13 HG SER 13 11.026 -8.703 -16.372 99 H ALA 14 H ALA 14 6.949 -11.168 -13.516 100 HA ALA 14 HA ALA 14 7.984 -13.915 -13.281 101 HB1 ALA 14 1HB ALA 14 8.323 -13.766 -11.054 102 HB2 ALA 14 2HB ALA 14 8.516 -12.051 -11.420 103 HB3 ALA 14 3HB ALA 14 6.974 -12.655 -10.813 104 H LEU 15 H LEU 15 5.407 -12.095 -14.085 105 HA LEU 15 HA LEU 15 3.346 -13.619 -12.741 106 HB2 LEU 15 2HB LEU 15 3.450 -11.284 -14.560 107 HB3 LEU 15 3HB LEU 15 1.982 -12.259 -14.594 108 HG LEU 15 HG LEU 15 3.064 -11.176 -12.013 109 HD11 LEU 15 1HD1 LEU 15 2.820 -9.135 -12.965 110 HD12 LEU 15 2HD1 LEU 15 1.130 -9.423 -12.553 111 HD13 LEU 15 3HD1 LEU 15 1.699 -9.717 -14.196 112 HD21 LEU 15 3HD2 LEU 15 0.661 -12.568 -12.942 113 HD22 LEU 15 1HD2 LEU 15 0.338 -11.167 -11.921 114 HD23 LEU 15 2HD2 LEU 15 1.368 -12.470 -11.328 115 H SER 16 H SER 16 3.914 -12.952 -16.199 116 HA SER 16 HA SER 16 2.816 -15.601 -16.816 117 HB2 SER 16 2HB SER 16 2.133 -13.244 -17.899 118 HB3 SER 16 3HB SER 16 3.449 -13.674 -18.991 119 HG SER 16 HG SER 16 1.921 -14.781 -19.937 120 H SER 17 H SER 17 5.429 -15.467 -15.760 121 HA SER 17 HA SER 17 7.118 -16.044 -18.098 122 HB2 SER 17 2HB SER 17 7.803 -15.268 -15.262 123 HB3 SER 17 3HB SER 17 9.006 -15.891 -16.390 124 HG SER 17 HG SER 17 9.145 -13.904 -17.042 125 H CYS 18 H CYS 18 5.356 -17.521 -15.652 126 HA CYS 18 HA CYS 18 6.879 -20.019 -15.996 127 HB2 CYS 18 2HB CYS 18 5.332 -19.265 -13.513 128 HB3 CYS 18 3HB CYS 18 6.389 -20.654 -13.731 129 HG CYS 18 HG CYS 18 8.428 -19.497 -12.710 130 H GLN 19 H GLN 19 4.699 -19.087 -17.607 131 HA GLN 19 HA GLN 19 2.566 -20.964 -16.837 132 HB2 GLN 19 2HB GLN 19 1.205 -19.616 -18.539 133 HB3 GLN 19 3HB GLN 19 1.580 -18.842 -17.005 134 HG2 GLN 19 2HG GLN 19 1.884 -17.268 -18.785 135 HG3 GLN 19 3HG GLN 19 3.453 -17.667 -18.090 136 HE21 GLN 19 1HE2 GLN 19 4.967 -17.829 -19.564 137 HE22 GLN 19 2HE2 GLN 19 4.779 -18.460 -21.161 138 H ALA 20 H ALA 20 5.162 -21.410 -18.335 139 HA ALA 20 HA ALA 20 3.969 -22.953 -20.507 140 HB1 ALA 20 1HB ALA 20 5.023 -20.565 -21.148 141 HB2 ALA 20 2HB ALA 20 6.467 -21.574 -21.254 142 HB3 ALA 20 3HB ALA 20 5.047 -21.962 -22.226 143 H ALA 21 H ALA 21 6.213 -23.944 -21.685 144 HA ALA 21 HA ALA 21 7.346 -25.551 -19.518 145 HB1 ALA 21 1HB ALA 21 7.119 -27.252 -20.922 146 HB2 ALA 21 2HB ALA 21 6.430 -26.152 -22.117 147 HB3 ALA 21 3HB ALA 21 8.167 -26.458 -22.097 148 H ASP 22 H ASP 22 8.244 -23.265 -21.993 149 HA ASP 22 HA ASP 22 11.056 -23.489 -21.138 150 HB2 ASP 22 2HB ASP 22 10.388 -23.997 -23.599 151 HB3 ASP 22 3HB ASP 22 10.223 -22.249 -23.744 152 H SER 23 H SER 23 8.570 -21.800 -20.311 153 HA SER 23 HA SER 23 9.520 -19.105 -20.792 154 HB2 SER 23 2HB SER 23 7.080 -19.684 -20.741 155 HB3 SER 23 3HB SER 23 7.242 -20.008 -19.016 156 HG SER 23 HG SER 23 8.205 -17.728 -19.076 157 H PHE 24 H PHE 24 9.556 -21.486 -18.241 158 HA PHE 24 HA PHE 24 10.654 -19.567 -16.334 159 HB2 PHE 24 2HB PHE 24 8.961 -21.074 -15.471 160 HB3 PHE 24 3HB PHE 24 9.874 -22.472 -16.029 161 HD1 PHE 24 HD2 PHE 24 10.969 -19.423 -14.195 162 HD2 PHE 24 HD1 PHE 24 10.505 -23.654 -14.153 163 HE1 PHE 24 HE2 PHE 24 12.129 -19.525 -12.027 164 HE2 PHE 24 HE1 PHE 24 11.663 -23.763 -11.985 165 HZ PHE 24 HZ PHE 24 12.478 -21.697 -10.920 166 H ASN 25 H ASN 25 12.626 -19.250 -17.554 167 HA ASN 25 HA ASN 25 14.465 -21.515 -17.645 168 HB2 ASN 25 2HB ASN 25 14.099 -19.688 -19.502 169 HB3 ASN 25 3HB ASN 25 15.219 -18.752 -18.517 170 HD21 ASN 25 1HD2 ASN 25 16.875 -18.764 -19.972 171 HD22 ASN 25 2HD2 ASN 25 17.757 -20.188 -20.396 172 H TYR 26 H TYR 26 16.842 -20.824 -17.106 173 HA TYR 26 HA TYR 26 16.963 -20.399 -14.325 174 HB2 TYR 26 2HB TYR 26 19.436 -20.258 -14.698 175 HB3 TYR 26 3HB TYR 26 18.684 -21.685 -15.400 176 HD1 TYR 26 HD2 TYR 26 20.059 -18.341 -16.197 177 HD2 TYR 26 HD1 TYR 26 18.809 -22.111 -17.724 178 HE1 TYR 26 HE2 TYR 26 21.039 -17.775 -18.381 179 HE2 TYR 26 HE1 TYR 26 19.787 -21.556 -19.912 180 HH TYR 26 HH TYR 26 21.383 -18.429 -20.470 181 H LYS 27 H LYS 27 17.195 -18.241 -17.051 182 HA LYS 27 HA LYS 27 18.353 -16.042 -15.671 183 HB2 LYS 27 2HB LYS 27 17.176 -16.548 -18.314 184 HB3 LYS 27 3HB LYS 27 16.942 -14.906 -17.729 185 HG2 LYS 27 2HG LYS 27 19.657 -16.133 -17.605 186 HG3 LYS 27 3HG LYS 27 19.042 -15.519 -19.141 187 HD2 LYS 27 2HD LYS 27 20.019 -13.612 -18.378 188 HD3 LYS 27 3HD LYS 27 18.443 -13.426 -17.605 189 HE2 LYS 27 2HE LYS 27 19.255 -14.071 -15.521 190 HE3 LYS 27 3HE LYS 27 20.671 -14.863 -16.211 191 HZ1 LYS 27 3HZ LYS 27 20.478 -12.018 -16.717 192 HZ2 LYS 27 1HZ LYS 27 21.816 -12.951 -16.269 193 HZ3 LYS 27 2HZ LYS 27 20.712 -12.439 -15.095 194 H SER 28 H SER 28 15.011 -16.908 -16.498 195 HA SER 28 HA SER 28 13.713 -14.651 -15.555 196 HB2 SER 28 2HB SER 28 12.949 -17.500 -15.939 197 HB3 SER 28 3HB SER 28 11.880 -16.510 -14.947 198 HG SER 28 HG SER 28 11.471 -15.217 -16.650 199 H PHE 29 H PHE 29 15.042 -17.365 -13.790 200 HA PHE 29 HA PHE 29 13.826 -16.613 -11.289 201 HB2 PHE 29 2HB PHE 29 14.421 -18.976 -11.901 202 HB3 PHE 29 3HB PHE 29 16.117 -18.531 -11.746 203 HD1 PHE 29 HD1 PHE 29 16.971 -17.764 -9.516 204 HD2 PHE 29 HD2 PHE 29 13.130 -19.527 -10.023 205 HE1 PHE 29 HE1 PHE 29 16.879 -18.246 -7.105 206 HE2 PHE 29 HE2 PHE 29 13.031 -20.011 -7.613 207 HZ PHE 29 HZ PHE 29 14.906 -19.370 -6.150 208 H PHE 30 H PHE 30 16.738 -15.890 -13.003 209 HA PHE 30 HA PHE 30 18.231 -14.984 -10.732 210 HB2 PHE 30 2HB PHE 30 18.597 -14.827 -13.705 211 HB3 PHE 30 3HB PHE 30 19.614 -13.861 -12.642 212 HD1 PHE 30 HD2 PHE 30 20.090 -15.638 -10.394 213 HD2 PHE 30 HD1 PHE 30 19.931 -16.501 -14.559 214 HE1 PHE 30 HE2 PHE 30 21.563 -17.577 -10.045 215 HE2 PHE 30 HE1 PHE 30 21.404 -18.442 -14.216 216 HZ PHE 30 HZ PHE 30 22.223 -18.981 -11.957 217 H SER 31 H SER 31 15.947 -13.582 -12.937 218 HA SER 31 HA SER 31 16.258 -10.999 -11.555 219 HB2 SER 31 2HB SER 31 17.099 -10.978 -13.937 220 HB3 SER 31 3HB SER 31 15.444 -11.303 -14.451 221 HG SER 31 HG SER 31 14.841 -9.330 -13.835 222 H THR 32 H THR 32 14.499 -13.194 -10.907 223 HA THR 32 HA THR 32 11.898 -12.903 -11.869 224 HB THR 32 HB THR 32 11.895 -13.523 -9.040 225 HG1 THR 32 HG1 THR 32 13.287 -15.346 -9.197 226 HG21 THR 32 3HG2 THR 32 11.217 -15.798 -10.087 227 HG22 THR 32 1HG2 THR 32 11.218 -14.910 -11.610 228 HG23 THR 32 2HG2 THR 32 10.150 -14.410 -10.297 229 H VAL 33 H VAL 33 10.121 -12.336 -10.001 230 HA VAL 33 HA VAL 33 9.849 -9.596 -9.993 231 HB VAL 33 HB VAL 33 7.942 -10.947 -9.514 232 HG11 VAL 33 1HG1 VAL 33 8.179 -11.832 -6.893 233 HG12 VAL 33 2HG1 VAL 33 8.240 -12.823 -8.351 234 HG13 VAL 33 3HG1 VAL 33 9.733 -12.219 -7.632 235 HG21 VAL 33 3HG2 VAL 33 8.371 -8.650 -8.294 236 HG22 VAL 33 1HG2 VAL 33 6.938 -9.617 -7.945 237 HG23 VAL 33 2HG2 VAL 33 8.322 -9.667 -6.854 238 H GLY 34 H GLY 34 11.586 -11.628 -7.740 239 HA2 GLY 34 2HA GLY 34 13.434 -10.723 -6.500 240 HA3 GLY 34 3HA GLY 34 12.578 -9.190 -6.421 241 H LEU 35 H LEU 35 10.337 -11.539 -5.879 242 HA LEU 35 HA LEU 35 10.267 -10.961 -3.053 243 HB2 LEU 35 2HB LEU 35 8.362 -11.490 -4.947 244 HB3 LEU 35 3HB LEU 35 8.437 -13.010 -4.057 245 HG LEU 35 HG LEU 35 7.658 -10.288 -3.049 246 HD11 LEU 35 1HD1 LEU 35 5.584 -11.089 -3.065 247 HD12 LEU 35 2HD1 LEU 35 6.075 -12.589 -2.278 248 HD13 LEU 35 3HD1 LEU 35 6.206 -12.429 -4.029 249 HD21 LEU 35 3HD2 LEU 35 7.523 -11.349 -0.800 250 HD22 LEU 35 1HD2 LEU 35 9.170 -11.133 -1.394 251 HD23 LEU 35 2HD2 LEU 35 8.415 -12.727 -1.447 252 H SER 36 H SER 36 10.783 -13.801 -5.103 253 HA SER 36 HA SER 36 11.023 -15.659 -2.977 254 HB2 SER 36 2HB SER 36 12.474 -16.131 -5.540 255 HB3 SER 36 3HB SER 36 11.459 -17.227 -4.603 256 HG SER 36 HG SER 36 10.142 -16.750 -6.216 257 H SER 37 H SER 37 13.053 -13.186 -4.028 258 HA SER 37 HA SER 37 15.380 -14.447 -2.730 259 HB2 SER 37 2HB SER 37 15.306 -12.364 -4.924 260 HB3 SER 37 3HB SER 37 16.773 -12.879 -4.092 261 HG SER 37 HG SER 37 16.809 -14.603 -5.285 262 H LYS 38 H LYS 38 13.036 -12.662 -1.798 263 HA LYS 38 HA LYS 38 14.407 -10.294 -0.851 264 HB2 LYS 38 2HB LYS 38 11.628 -11.278 -0.921 265 HB3 LYS 38 3HB LYS 38 12.037 -10.308 0.487 266 HG2 LYS 38 2HG LYS 38 12.944 -9.180 -2.057 267 HG3 LYS 38 3HG LYS 38 11.191 -9.322 -1.898 268 HD2 LYS 38 2HD LYS 38 11.177 -7.997 0.072 269 HD3 LYS 38 3HD LYS 38 12.934 -8.074 0.217 270 HE2 LYS 38 2HE LYS 38 13.168 -6.768 -1.828 271 HE3 LYS 38 3HE LYS 38 11.415 -6.721 -2.012 272 HZ1 LYS 38 3HZ LYS 38 11.636 -4.782 -0.931 273 HZ2 LYS 38 1HZ LYS 38 13.134 -5.186 -0.255 274 HZ3 LYS 38 2HZ LYS 38 11.706 -5.748 0.456 275 H THR 39 H THR 39 14.030 -9.741 1.558 276 HA THR 39 HA THR 39 15.304 -11.831 3.094 277 HB THR 39 HB THR 39 15.314 -9.026 3.192 278 HG1 THR 39 HG1 THR 39 16.974 -9.414 4.623 279 HG21 THR 39 3HG2 THR 39 14.698 -8.486 5.462 280 HG22 THR 39 1HG2 THR 39 14.251 -10.161 5.780 281 HG23 THR 39 2HG2 THR 39 13.305 -9.196 4.647 282 HA PRO 40 HA PRO 40 11.803 -13.405 5.225 283 HB2 PRO 40 2HB PRO 40 12.848 -13.912 7.678 284 HB3 PRO 40 3HB PRO 40 13.234 -14.880 6.251 285 HG2 PRO 40 2HG PRO 40 14.806 -12.674 7.525 286 HG3 PRO 40 3HG PRO 40 15.373 -14.229 6.890 287 HD2 PRO 40 2HD PRO 40 15.611 -11.916 5.503 288 HD3 PRO 40 3HD PRO 40 15.367 -13.484 4.709 289 H ASP 41 H ASP 41 10.883 -11.131 5.079 290 HA ASP 41 HA ASP 41 9.719 -10.414 7.515 291 HB2 ASP 41 2HB ASP 41 12.295 -9.454 7.417 292 HB3 ASP 41 3HB ASP 41 11.359 -8.081 6.832 293 H GLN 42 H GLN 42 10.845 -9.133 4.409 294 HA GLN 42 HA GLN 42 8.628 -7.338 4.127 295 HB2 GLN 42 2HB GLN 42 10.380 -8.288 1.874 296 HB3 GLN 42 3HB GLN 42 9.555 -6.745 2.042 297 HG2 GLN 42 2HG GLN 42 12.029 -7.705 3.430 298 HG3 GLN 42 3HG GLN 42 11.809 -6.275 2.422 299 HE21 GLN 42 1HE2 GLN 42 9.530 -5.204 3.502 300 HE22 GLN 42 2HE2 GLN 42 9.840 -4.694 5.123 301 H ILE 43 H ILE 43 9.337 -10.620 3.184 302 HA ILE 43 HA ILE 43 7.485 -11.025 1.160 303 HB ILE 43 HB ILE 43 8.266 -12.983 3.324 304 HG12 ILE 43 2HG1 ILE 43 9.432 -12.593 0.560 305 HG13 ILE 43 3HG1 ILE 43 10.169 -12.001 2.045 306 HG21 ILE 43 1HG2 ILE 43 7.780 -14.383 0.997 307 HG22 ILE 43 2HG2 ILE 43 6.710 -14.281 2.395 308 HG23 ILE 43 3HG2 ILE 43 6.491 -13.180 1.035 309 HD11 ILE 43 3HD1 ILE 43 10.923 -14.259 0.967 310 HD12 ILE 43 1HD1 ILE 43 10.809 -14.086 2.718 311 HD13 ILE 43 2HD1 ILE 43 9.519 -14.892 1.825 312 H LYS 44 H LYS 44 7.010 -11.692 4.635 313 HA LYS 44 HA LYS 44 4.333 -12.371 4.551 314 HB2 LYS 44 2HB LYS 44 4.290 -11.447 6.943 315 HB3 LYS 44 3HB LYS 44 5.435 -12.735 6.591 316 HG2 LYS 44 2HG LYS 44 7.257 -11.219 6.534 317 HG3 LYS 44 3HG LYS 44 6.178 -9.822 6.558 318 HD2 LYS 44 2HD LYS 44 5.458 -11.252 8.814 319 HD3 LYS 44 3HD LYS 44 7.215 -11.415 8.758 320 HE2 LYS 44 2HE LYS 44 7.171 -8.853 8.320 321 HE3 LYS 44 3HE LYS 44 5.544 -8.943 8.992 322 HZ1 LYS 44 3HZ LYS 44 6.331 -9.244 11.047 323 HZ2 LYS 44 1HZ LYS 44 7.791 -8.642 10.440 324 HZ3 LYS 44 2HZ LYS 44 7.546 -10.312 10.552 325 H LYS 45 H LYS 45 5.819 -9.187 4.588 326 HA LYS 45 HA LYS 45 3.495 -7.674 5.076 327 HB2 LYS 45 2HB LYS 45 6.234 -7.167 4.169 328 HB3 LYS 45 3HB LYS 45 5.056 -6.046 3.497 329 HG2 LYS 45 2HG LYS 45 4.984 -6.588 6.419 330 HG3 LYS 45 3HG LYS 45 6.270 -5.563 5.777 331 HD2 LYS 45 2HD LYS 45 3.336 -5.120 5.244 332 HD3 LYS 45 3HD LYS 45 4.235 -4.323 6.537 333 HE2 LYS 45 2HE LYS 45 5.854 -3.676 4.575 334 HE3 LYS 45 3HE LYS 45 4.427 -3.966 3.582 335 HZ1 LYS 45 3HZ LYS 45 3.610 -2.418 5.734 336 HZ2 LYS 45 1HZ LYS 45 3.739 -1.946 4.115 337 HZ3 LYS 45 2HZ LYS 45 5.043 -1.719 5.168 338 H VAL 46 H VAL 46 4.836 -9.070 2.158 339 HA VAL 46 HA VAL 46 3.124 -7.651 0.356 340 HB VAL 46 HB VAL 46 4.714 -10.186 -0.064 341 HG11 VAL 46 1HG1 VAL 46 3.181 -8.434 -1.966 342 HG12 VAL 46 2HG1 VAL 46 4.482 -9.500 -2.502 343 HG13 VAL 46 3HG1 VAL 46 3.048 -10.176 -1.728 344 HG21 VAL 46 3HG2 VAL 46 6.190 -8.381 0.447 345 HG22 VAL 46 1HG2 VAL 46 6.247 -8.634 -1.297 346 HG23 VAL 46 2HG2 VAL 46 5.322 -7.289 -0.631 347 H PHE 47 H PHE 47 2.793 -10.440 2.338 348 HA PHE 47 HA PHE 47 0.670 -11.647 0.817 349 HB2 PHE 47 2HB PHE 47 1.637 -13.314 2.028 350 HB3 PHE 47 3HB PHE 47 2.114 -12.231 3.332 351 HD1 PHE 47 HD2 PHE 47 -0.725 -14.123 1.913 352 HD2 PHE 47 HD1 PHE 47 0.820 -12.034 5.285 353 HE1 PHE 47 HE2 PHE 47 -2.588 -14.963 3.283 354 HE2 PHE 47 HE1 PHE 47 -1.040 -12.872 6.660 355 HZ PHE 47 HZ PHE 47 -2.748 -14.338 5.660 356 H GLY 48 H GLY 48 0.947 -9.258 3.305 357 HA2 GLY 48 2HA GLY 48 -1.707 -9.443 4.319 358 HA3 GLY 48 3HA GLY 48 -0.616 -8.079 4.514 359 H ILE 49 H ILE 49 -0.575 -8.419 1.337 360 HA ILE 49 HA ILE 49 -2.674 -6.422 0.961 361 HB ILE 49 HB ILE 49 -0.647 -7.336 -1.077 362 HG12 ILE 49 2HG1 ILE 49 -0.440 -5.006 0.843 363 HG13 ILE 49 3HG1 ILE 49 0.472 -6.505 0.975 364 HG21 ILE 49 1HG2 ILE 49 -2.849 -5.495 -1.102 365 HG22 ILE 49 2HG2 ILE 49 -1.337 -4.639 -1.403 366 HG23 ILE 49 3HG2 ILE 49 -1.799 -6.000 -2.425 367 HD11 ILE 49 3HD1 ILE 49 0.823 -5.415 -1.638 368 HD12 ILE 49 1HD1 ILE 49 1.156 -4.175 -0.430 369 HD13 ILE 49 2HD1 ILE 49 2.023 -5.710 -0.380 370 H LEU 50 H LEU 50 -2.186 -9.736 0.539 371 HA LEU 50 HA LEU 50 -3.943 -10.020 -1.746 372 HB2 LEU 50 2HB LEU 50 -3.221 -12.359 -0.081 373 HB3 LEU 50 3HB LEU 50 -3.288 -12.195 -1.834 374 HG LEU 50 HG LEU 50 -1.075 -11.216 -0.031 375 HD11 LEU 50 1HD1 LEU 50 -1.304 -13.529 -1.940 376 HD12 LEU 50 2HD1 LEU 50 -0.931 -13.571 -0.217 377 HD13 LEU 50 3HD1 LEU 50 0.239 -12.907 -1.356 378 HD21 LEU 50 3HD2 LEU 50 -0.420 -11.267 -2.814 379 HD22 LEU 50 1HD2 LEU 50 -0.382 -9.912 -1.685 380 HD23 LEU 50 2HD2 LEU 50 -1.863 -10.282 -2.568 381 H ASP 51 H ASP 51 -4.002 -11.035 1.671 382 HA ASP 51 HA ASP 51 -6.511 -12.132 1.802 383 HB2 ASP 51 2HB ASP 51 -4.635 -11.678 3.637 384 HB3 ASP 51 3HB ASP 51 -5.706 -10.340 4.044 385 H GLN 52 H GLN 52 -8.589 -11.406 2.049 386 HA GLN 52 HA GLN 52 -9.220 -8.873 0.937 387 HB2 GLN 52 2HB GLN 52 -11.576 -9.483 1.610 388 HB3 GLN 52 3HB GLN 52 -10.763 -10.642 0.568 389 HG2 GLN 52 2HG GLN 52 -11.339 -12.205 2.023 390 HG3 GLN 52 3HG GLN 52 -10.163 -11.500 3.131 391 HE21 GLN 52 1HE2 GLN 52 -13.360 -10.463 1.997 392 HE22 GLN 52 2HE2 GLN 52 -14.051 -10.287 3.570 393 H ASP 53 H ASP 53 -9.422 -10.184 4.229 394 HA ASP 53 HA ASP 53 -9.505 -7.418 5.228 395 HB2 ASP 53 2HB ASP 53 -11.062 -9.755 6.355 396 HB3 ASP 53 3HB ASP 53 -11.021 -8.126 7.025 397 H LYS 54 H LYS 54 -7.391 -9.555 4.880 398 HA LYS 54 HA LYS 54 -5.683 -10.535 6.049 399 HB2 LYS 54 2HB LYS 54 -6.059 -7.881 7.427 400 HB3 LYS 54 3HB LYS 54 -4.727 -8.960 7.820 401 HG2 LYS 54 2HG LYS 54 -3.784 -7.514 6.288 402 HG3 LYS 54 3HG LYS 54 -4.230 -8.898 5.288 403 HD2 LYS 54 2HD LYS 54 -4.877 -6.872 4.158 404 HD3 LYS 54 3HD LYS 54 -6.331 -7.723 4.685 405 HE2 LYS 54 2HE LYS 54 -6.369 -5.254 5.073 406 HE3 LYS 54 3HE LYS 54 -6.628 -6.227 6.520 407 HZ1 LYS 54 3HZ LYS 54 -4.698 -5.549 7.430 408 HZ2 LYS 54 1HZ LYS 54 -4.902 -4.218 6.406 409 HZ3 LYS 54 2HZ LYS 54 -3.876 -5.484 5.953 410 H SER 55 H SER 55 -8.109 -11.598 6.848 411 HA SER 55 HA SER 55 -8.618 -11.541 9.601 412 HB2 SER 55 2HB SER 55 -9.050 -14.074 8.079 413 HB3 SER 55 3HB SER 55 -10.119 -13.250 9.213 414 HG SER 55 HG SER 55 -10.105 -11.559 7.415 415 H GLY 56 H GLY 56 -6.048 -12.947 7.842 416 HA2 GLY 56 2HA GLY 56 -4.101 -13.567 9.222 417 HA3 GLY 56 3HA GLY 56 -5.223 -14.436 10.258 418 H PHE 57 H PHE 57 -6.769 -15.589 8.126 419 HA PHE 57 HA PHE 57 -4.789 -17.380 6.888 420 HB2 PHE 57 2HB PHE 57 -7.436 -18.298 8.017 421 HB3 PHE 57 3HB PHE 57 -6.136 -19.304 7.387 422 HD1 PHE 57 HD1 PHE 57 -3.773 -18.706 8.623 423 HD2 PHE 57 HD2 PHE 57 -7.673 -18.336 10.286 424 HE1 PHE 57 HE1 PHE 57 -2.823 -18.893 10.885 425 HE2 PHE 57 HE2 PHE 57 -6.729 -18.522 12.551 426 HZ PHE 57 HZ PHE 57 -4.301 -18.800 12.853 427 H ILE 58 H ILE 58 -4.920 -17.075 4.768 428 HA ILE 58 HA ILE 58 -7.385 -16.204 3.526 429 HB ILE 58 HB ILE 58 -4.590 -16.638 2.520 430 HG12 ILE 58 2HG1 ILE 58 -6.435 -14.241 2.447 431 HG13 ILE 58 3HG1 ILE 58 -5.200 -14.519 3.670 432 HG21 ILE 58 1HG2 ILE 58 -5.861 -17.521 0.737 433 HG22 ILE 58 2HG2 ILE 58 -7.085 -16.261 0.887 434 HG23 ILE 58 3HG2 ILE 58 -5.478 -15.861 0.282 435 HD11 ILE 58 3HD1 ILE 58 -3.751 -14.727 1.384 436 HD12 ILE 58 1HD1 ILE 58 -4.954 -13.517 0.937 437 HD13 ILE 58 2HD1 ILE 58 -3.923 -13.258 2.345 438 H GLU 59 H GLU 59 -8.903 -17.664 3.096 439 HA GLU 59 HA GLU 59 -8.309 -20.441 2.710 440 HB2 GLU 59 2HB GLU 59 -10.916 -18.979 2.258 441 HB3 GLU 59 3HB GLU 59 -10.709 -20.717 2.420 442 HG2 GLU 59 2HG GLU 59 -10.350 -20.603 4.688 443 HG3 GLU 59 3HG GLU 59 -9.817 -18.924 4.626 444 H GLU 60 H GLU 60 -9.249 -21.631 0.796 445 HA GLU 60 HA GLU 60 -7.953 -20.919 -1.541 446 HB2 GLU 60 2HB GLU 60 -8.883 -23.183 -0.957 447 HB3 GLU 60 3HB GLU 60 -10.472 -22.579 -1.406 448 HG2 GLU 60 2HG GLU 60 -8.310 -22.264 -3.397 449 HG3 GLU 60 3HG GLU 60 -8.890 -23.900 -3.090 450 H GLU 61 H GLU 61 -10.986 -19.827 -0.307 451 HA GLU 61 HA GLU 61 -12.195 -18.982 -2.708 452 HB2 GLU 61 2HB GLU 61 -12.504 -17.814 0.064 453 HB3 GLU 61 3HB GLU 61 -13.600 -17.565 -1.287 454 HG2 GLU 61 2HG GLU 61 -13.049 -20.166 0.121 455 HG3 GLU 61 3HG GLU 61 -14.516 -19.194 0.229 456 H GLU 62 H GLU 62 -10.163 -17.246 -0.365 457 HA GLU 62 HA GLU 62 -10.077 -14.903 -2.073 458 HB2 GLU 62 2HB GLU 62 -9.589 -15.470 0.706 459 HB3 GLU 62 3HB GLU 62 -8.201 -14.641 0.015 460 HG2 GLU 62 2HG GLU 62 -9.704 -13.026 0.944 461 HG3 GLU 62 3HG GLU 62 -9.707 -12.874 -0.812 462 H LEU 63 H LEU 63 -8.375 -17.791 -1.762 463 HA LEU 63 HA LEU 63 -5.762 -16.845 -2.436 464 HB2 LEU 63 2HB LEU 63 -6.544 -19.088 -1.332 465 HB3 LEU 63 3HB LEU 63 -6.669 -19.631 -3.004 466 HG LEU 63 HG LEU 63 -4.247 -18.980 -3.276 467 HD11 LEU 63 1HD1 LEU 63 -4.676 -17.950 -0.664 468 HD12 LEU 63 2HD1 LEU 63 -3.217 -17.883 -1.652 469 HD13 LEU 63 3HD1 LEU 63 -3.482 -19.244 -0.563 470 HD21 LEU 63 3HD2 LEU 63 -3.710 -21.115 -2.869 471 HD22 LEU 63 1HD2 LEU 63 -5.403 -21.298 -2.408 472 HD23 LEU 63 2HD2 LEU 63 -4.179 -21.011 -1.171 473 H GLN 64 H GLN 64 -8.612 -17.672 -4.210 474 HA GLN 64 HA GLN 64 -7.358 -18.163 -6.720 475 HB2 GLN 64 2HB GLN 64 -9.526 -18.238 -7.632 476 HB3 GLN 64 3HB GLN 64 -9.706 -18.855 -5.995 477 HG2 GLN 64 2HG GLN 64 -10.369 -16.491 -5.343 478 HG3 GLN 64 3HG GLN 64 -10.504 -16.173 -7.072 479 HE21 GLN 64 1HE2 GLN 64 -11.587 -18.467 -8.018 480 HE22 GLN 64 2HE2 GLN 64 -13.164 -18.704 -7.353 481 H LEU 65 H LEU 65 -7.457 -15.423 -4.940 482 HA LEU 65 HA LEU 65 -7.676 -13.641 -7.266 483 HB2 LEU 65 2HB LEU 65 -7.464 -12.695 -4.437 484 HB3 LEU 65 3HB LEU 65 -8.189 -11.891 -5.828 485 HG LEU 65 HG LEU 65 -9.371 -14.322 -4.493 486 HD11 LEU 65 1HD1 LEU 65 -10.986 -12.729 -3.504 487 HD12 LEU 65 2HD1 LEU 65 -9.976 -11.400 -4.072 488 HD13 LEU 65 3HD1 LEU 65 -9.347 -12.538 -2.881 489 HD21 LEU 65 3HD2 LEU 65 -11.077 -12.471 -5.976 490 HD22 LEU 65 1HD2 LEU 65 -10.998 -14.232 -6.025 491 HD23 LEU 65 2HD2 LEU 65 -9.861 -13.272 -6.971 492 H PHE 66 H PHE 66 -5.355 -15.390 -6.264 493 HA PHE 66 HA PHE 66 -3.298 -13.665 -5.384 494 HB2 PHE 66 2HB PHE 66 -3.149 -16.086 -5.105 495 HB3 PHE 66 3HB PHE 66 -3.122 -16.304 -6.852 496 HD1 PHE 66 HD1 PHE 66 -1.218 -15.161 -3.934 497 HD2 PHE 66 HD2 PHE 66 -1.132 -15.913 -8.122 498 HE1 PHE 66 HE1 PHE 66 1.237 -14.995 -3.909 499 HE2 PHE 66 HE2 PHE 66 1.323 -15.750 -8.104 500 HZ PHE 66 HZ PHE 66 2.511 -15.291 -5.996 501 H LEU 67 H LEU 67 -4.723 -14.185 -8.457 502 HA LEU 67 HA LEU 67 -2.452 -13.141 -9.937 503 HB2 LEU 67 2HB LEU 67 -5.066 -14.360 -10.606 504 HB3 LEU 67 3HB LEU 67 -4.396 -13.221 -11.772 505 HG LEU 67 HG LEU 67 -2.970 -15.685 -10.774 506 HD11 LEU 67 1HD1 LEU 67 -4.982 -15.308 -12.854 507 HD12 LEU 67 2HD1 LEU 67 -4.392 -16.787 -12.097 508 HD13 LEU 67 3HD1 LEU 67 -3.496 -16.062 -13.431 509 HD21 LEU 67 3HD2 LEU 67 -1.695 -15.139 -12.986 510 HD22 LEU 67 1HD2 LEU 67 -1.290 -14.288 -11.495 511 HD23 LEU 67 2HD2 LEU 67 -2.308 -13.508 -12.706 512 H LYS 68 H LYS 68 -4.854 -11.825 -8.106 513 HA LYS 68 HA LYS 68 -5.222 -9.464 -9.799 514 HB2 LYS 68 2HB LYS 68 -6.510 -10.104 -7.140 515 HB3 LYS 68 3HB LYS 68 -6.966 -8.814 -8.246 516 HG2 LYS 68 2HG LYS 68 -7.061 -11.690 -9.079 517 HG3 LYS 68 3HG LYS 68 -8.395 -10.932 -8.207 518 HD2 LYS 68 2HD LYS 68 -7.532 -9.254 -10.380 519 HD3 LYS 68 3HD LYS 68 -7.906 -10.876 -10.967 520 HE2 LYS 68 2HE LYS 68 -10.018 -10.110 -11.030 521 HE3 LYS 68 3HE LYS 68 -9.995 -10.437 -9.298 522 HZ1 LYS 68 3HZ LYS 68 -10.751 -8.135 -10.145 523 HZ2 LYS 68 1HZ LYS 68 -9.096 -7.823 -10.307 524 HZ3 LYS 68 2HZ LYS 68 -9.738 -8.221 -8.793 525 H ASN 69 H ASN 69 -3.389 -10.578 -7.147 526 HA ASN 69 HA ASN 69 -2.885 -7.934 -6.063 527 HB2 ASN 69 2HB ASN 69 -1.307 -10.358 -5.286 528 HB3 ASN 69 3HB ASN 69 -1.808 -8.990 -4.297 529 HD21 ASN 69 1HD2 ASN 69 -4.475 -8.866 -4.753 530 HD22 ASN 69 2HD2 ASN 69 -5.245 -10.302 -4.179 531 H PHE 70 H PHE 70 -1.656 -9.903 -8.523 532 HA PHE 70 HA PHE 70 0.916 -8.472 -8.514 533 HB2 PHE 70 2HB PHE 70 0.116 -11.106 -9.755 534 HB3 PHE 70 3HB PHE 70 1.636 -10.296 -10.114 535 HD1 PHE 70 HD2 PHE 70 -0.368 -11.463 -7.196 536 HD2 PHE 70 HD1 PHE 70 3.493 -10.839 -8.875 537 HE1 PHE 70 HE2 PHE 70 0.656 -12.523 -5.226 538 HE2 PHE 70 HE1 PHE 70 4.524 -11.899 -6.908 539 HZ PHE 70 HZ PHE 70 3.105 -12.741 -5.080 540 H SER 71 H SER 71 -1.591 -9.686 -10.732 541 HA SER 71 HA SER 71 -0.849 -7.545 -12.613 542 HB2 SER 71 2HB SER 71 -0.657 -9.908 -13.440 543 HB3 SER 71 3HB SER 71 -2.400 -10.069 -13.230 544 HG SER 71 HG SER 71 -1.027 -8.289 -14.959 545 H SER 72 H SER 72 -2.749 -6.804 -13.996 546 HA SER 72 HA SER 72 -5.155 -6.531 -12.314 547 HB2 SER 72 2HB SER 72 -5.392 -4.235 -13.350 548 HB3 SER 72 3HB SER 72 -4.031 -4.418 -12.243 549 HG SER 72 HG SER 72 -2.659 -4.588 -14.005 550 H SER 73 H SER 73 -4.076 -7.974 -14.966 551 HA SER 73 HA SER 73 -6.397 -7.340 -16.646 552 HB2 SER 73 2HB SER 73 -4.177 -7.245 -17.726 553 HB3 SER 73 3HB SER 73 -3.916 -8.941 -17.319 554 HG SER 73 HG SER 73 -5.616 -9.497 -18.668 555 H ALA 74 H ALA 74 -4.795 -9.972 -14.953 556 HA ALA 74 HA ALA 74 -6.406 -12.078 -15.917 557 HB1 ALA 74 1HB ALA 74 -4.364 -12.662 -14.889 558 HB2 ALA 74 2HB ALA 74 -4.760 -11.769 -13.420 559 HB3 ALA 74 3HB ALA 74 -5.630 -13.251 -13.812 560 H ARG 75 H ARG 75 -7.731 -13.422 -14.227 561 HA ARG 75 HA ARG 75 -9.629 -11.574 -12.935 562 HB2 ARG 75 2HB ARG 75 -11.105 -13.816 -13.307 563 HB3 ARG 75 3HB ARG 75 -11.055 -12.472 -14.440 564 HG2 ARG 75 2HG ARG 75 -9.689 -13.598 -15.923 565 HG3 ARG 75 3HG ARG 75 -9.092 -14.707 -14.687 566 HD2 ARG 75 2HD ARG 75 -11.986 -14.719 -15.429 567 HD3 ARG 75 3HD ARG 75 -10.813 -15.530 -16.466 568 HE ARG 75 HE ARG 75 -10.471 -16.320 -13.769 569 HH11 ARG 75 1HH1 ARG 75 -12.568 -16.757 -16.513 570 HH12 ARG 75 2HH1 ARG 75 -13.087 -18.338 -16.030 571 HH21 ARG 75 1HH2 ARG 75 -11.145 -18.400 -13.123 572 HH22 ARG 75 2HH2 ARG 75 -12.277 -19.271 -14.101 573 H VAL 76 H VAL 76 -8.940 -15.072 -12.813 574 HA VAL 76 HA VAL 76 -8.185 -14.927 -10.034 575 HB VAL 76 HB VAL 76 -9.978 -16.687 -9.437 576 HG11 VAL 76 1HG1 VAL 76 -9.771 -14.222 -8.716 577 HG12 VAL 76 2HG1 VAL 76 -11.091 -13.935 -9.853 578 HG13 VAL 76 3HG1 VAL 76 -11.319 -15.036 -8.493 579 HG21 VAL 76 3HG2 VAL 76 -11.440 -15.313 -11.686 580 HG22 VAL 76 1HG2 VAL 76 -10.740 -16.927 -11.810 581 HG23 VAL 76 2HG2 VAL 76 -12.033 -16.613 -10.652 582 H LEU 77 H LEU 77 -7.550 -17.046 -9.173 583 HA LEU 77 HA LEU 77 -5.940 -18.474 -10.958 584 HB2 LEU 77 2HB LEU 77 -6.998 -19.374 -8.283 585 HB3 LEU 77 3HB LEU 77 -5.623 -20.068 -9.139 586 HG LEU 77 HG LEU 77 -5.827 -17.441 -7.711 587 HD11 LEU 77 1HD1 LEU 77 -3.517 -18.357 -6.959 588 HD12 LEU 77 2HD1 LEU 77 -4.133 -19.897 -7.557 589 HD13 LEU 77 3HD1 LEU 77 -4.991 -19.043 -6.275 590 HD21 LEU 77 3HD2 LEU 77 -3.767 -18.211 -9.776 591 HD22 LEU 77 1HD2 LEU 77 -3.652 -16.829 -8.686 592 HD23 LEU 77 2HD2 LEU 77 -4.934 -16.893 -9.896 593 H THR 78 H THR 78 -6.069 -20.849 -11.363 594 HA THR 78 HA THR 78 -8.849 -21.644 -11.945 595 HB THR 78 HB THR 78 -8.273 -22.471 -14.001 596 HG1 THR 78 HG1 THR 78 -6.710 -23.910 -13.801 597 HG21 THR 78 3HG2 THR 78 -5.943 -20.596 -13.870 598 HG22 THR 78 1HG2 THR 78 -7.586 -19.978 -13.702 599 HG23 THR 78 2HG2 THR 78 -7.112 -20.836 -15.168 600 H SER 79 H SER 79 -8.486 -24.233 -12.681 601 HA SER 79 HA SER 79 -8.090 -25.508 -10.140 602 HB2 SER 79 2HB SER 79 -8.669 -26.718 -12.856 603 HB3 SER 79 3HB SER 79 -8.767 -27.564 -11.312 604 HG SER 79 HG SER 79 -10.269 -25.610 -10.855 605 H ALA 80 H ALA 80 -5.718 -24.448 -10.582 606 HA ALA 80 HA ALA 80 -3.954 -26.652 -10.570 607 HB1 ALA 80 1HB ALA 80 -2.909 -25.161 -12.770 608 HB2 ALA 80 2HB ALA 80 -3.325 -26.873 -12.685 609 HB3 ALA 80 3HB ALA 80 -4.547 -25.691 -13.152 610 H GLU 81 H GLU 81 -4.351 -23.180 -11.038 611 HA GLU 81 HA GLU 81 -1.724 -22.529 -10.087 612 HB2 GLU 81 2HB GLU 81 -4.060 -20.633 -10.213 613 HB3 GLU 81 3HB GLU 81 -2.347 -20.262 -10.348 614 HG2 GLU 81 2HG GLU 81 -2.549 -21.847 -12.458 615 HG3 GLU 81 3HG GLU 81 -4.229 -21.319 -12.377 616 H THR 82 H THR 82 -5.001 -22.360 -8.730 617 HA THR 82 HA THR 82 -4.203 -21.328 -6.213 618 HB THR 82 HB THR 82 -6.630 -22.962 -6.156 619 HG1 THR 82 HG1 THR 82 -7.739 -21.843 -7.719 620 HG21 THR 82 3HG2 THR 82 -6.772 -20.030 -5.950 621 HG22 THR 82 1HG2 THR 82 -5.674 -20.806 -4.810 622 HG23 THR 82 2HG2 THR 82 -7.374 -21.275 -4.855 623 H LYS 83 H LYS 83 -4.569 -24.574 -7.494 624 HA LYS 83 HA LYS 83 -4.340 -25.903 -4.977 625 HB2 LYS 83 2HB LYS 83 -3.821 -26.996 -7.747 626 HB3 LYS 83 3HB LYS 83 -4.106 -27.940 -6.291 627 HG2 LYS 83 2HG LYS 83 -6.157 -25.984 -7.235 628 HG3 LYS 83 3HG LYS 83 -6.030 -27.578 -7.983 629 HD2 LYS 83 2HD LYS 83 -6.242 -28.590 -5.720 630 HD3 LYS 83 3HD LYS 83 -6.519 -26.973 -5.067 631 HE2 LYS 83 2HE LYS 83 -8.219 -28.409 -7.104 632 HE3 LYS 83 3HE LYS 83 -8.632 -28.106 -5.417 633 HZ1 LYS 83 3HZ LYS 83 -8.125 -25.633 -6.261 634 HZ2 LYS 83 1HZ LYS 83 -9.666 -26.332 -6.297 635 HZ3 LYS 83 2HZ LYS 83 -8.714 -26.311 -7.695 636 H ALA 84 H ALA 84 -2.081 -25.271 -7.645 637 HA ALA 84 HA ALA 84 0.143 -26.529 -6.414 638 HB1 ALA 84 1HB ALA 84 0.430 -24.325 -8.417 639 HB2 ALA 84 2HB ALA 84 1.397 -25.787 -8.217 640 HB3 ALA 84 3HB ALA 84 -0.229 -25.890 -8.893 641 H PHE 85 H PHE 85 -1.464 -23.677 -5.687 642 HA PHE 85 HA PHE 85 0.926 -22.429 -4.526 643 HB2 PHE 85 2HB PHE 85 -0.548 -21.055 -6.015 644 HB3 PHE 85 3HB PHE 85 -1.837 -21.241 -4.830 645 HD1 PHE 85 HD1 PHE 85 1.629 -19.973 -5.229 646 HD2 PHE 85 HD2 PHE 85 -2.022 -19.759 -3.051 647 HE1 PHE 85 HE1 PHE 85 2.475 -18.009 -4.011 648 HE2 PHE 85 HE2 PHE 85 -1.182 -17.795 -1.830 649 HZ PHE 85 HZ PHE 85 1.068 -16.917 -2.310 650 H LEU 86 H LEU 86 -2.406 -23.346 -3.707 651 HA LEU 86 HA LEU 86 -2.211 -22.720 -0.958 652 HB2 LEU 86 2HB LEU 86 -4.282 -23.184 -2.461 653 HB3 LEU 86 3HB LEU 86 -4.014 -24.864 -2.003 654 HG LEU 86 HG LEU 86 -4.214 -22.834 0.163 655 HD11 LEU 86 1HD1 LEU 86 -6.804 -23.902 -0.409 656 HD12 LEU 86 2HD1 LEU 86 -6.197 -23.036 -1.819 657 HD13 LEU 86 3HD1 LEU 86 -6.299 -22.218 -0.260 658 HD21 LEU 86 3HD2 LEU 86 -4.678 -24.620 1.467 659 HD22 LEU 86 1HD2 LEU 86 -3.859 -25.494 0.172 660 HD23 LEU 86 2HD2 LEU 86 -5.621 -25.429 0.214 661 H ALA 87 H ALA 87 -2.118 -25.873 -2.623 662 HA ALA 87 HA ALA 87 -1.432 -27.361 -0.324 663 HB1 ALA 87 1HB ALA 87 -0.863 -29.158 -1.902 664 HB2 ALA 87 2HB ALA 87 -2.422 -28.417 -2.268 665 HB3 ALA 87 3HB ALA 87 -1.004 -28.014 -3.237 666 H ALA 88 H ALA 88 0.384 -25.224 -2.213 667 HA ALA 88 HA ALA 88 2.936 -26.482 -1.524 668 HB1 ALA 88 1HB ALA 88 3.938 -24.791 -2.999 669 HB2 ALA 88 2HB ALA 88 2.696 -25.736 -3.821 670 HB3 ALA 88 3HB ALA 88 2.339 -24.098 -3.273 671 H GLY 89 H GLY 89 0.903 -23.781 -0.701 672 HA2 GLY 89 2HA GLY 89 3.028 -22.556 0.902 673 HA3 GLY 89 3HA GLY 89 1.460 -21.845 0.547 674 H ASP 90 H ASP 90 -0.374 -23.516 1.388 675 HA ASP 90 HA ASP 90 -0.485 -23.228 4.128 676 HB2 ASP 90 2HB ASP 90 -2.531 -23.670 3.083 677 HB3 ASP 90 3HB ASP 90 -1.899 -25.075 2.228 678 H THR 91 H THR 91 1.103 -23.937 5.428 679 HA THR 91 HA THR 91 2.057 -26.696 5.127 680 HB THR 91 HB THR 91 3.913 -26.057 6.595 681 HG1 THR 91 HG1 THR 91 3.447 -24.433 7.884 682 HG21 THR 91 3HG2 THR 91 4.257 -23.804 4.873 683 HG22 THR 91 1HG2 THR 91 3.432 -25.082 3.981 684 HG23 THR 91 2HG2 THR 91 4.984 -25.407 4.753 685 H ASP 92 H ASP 92 0.365 -24.554 7.290 686 HA ASP 92 HA ASP 92 0.528 -26.172 9.617 687 HB2 ASP 92 2HB ASP 92 -0.186 -23.660 9.313 688 HB3 ASP 92 3HB ASP 92 -1.795 -24.350 9.119 689 H GLY 93 H GLY 93 -1.487 -26.220 6.792 690 HA2 GLY 93 2HA GLY 93 -2.912 -27.890 6.063 691 HA3 GLY 93 3HA GLY 93 -2.584 -28.766 7.550 692 H ASP 94 H ASP 94 -4.266 -25.827 6.441 693 HA ASP 94 HA ASP 94 -6.597 -26.644 8.004 694 HB2 ASP 94 2HB ASP 94 -5.139 -25.058 9.363 695 HB3 ASP 94 3HB ASP 94 -5.543 -23.821 8.175 696 H GLY 95 H GLY 95 -5.673 -26.245 5.107 697 HA2 GLY 95 2HA GLY 95 -6.714 -25.681 3.139 698 HA3 GLY 95 3HA GLY 95 -8.173 -25.411 4.081 699 H LYS 96 H LYS 96 -5.331 -23.649 4.932 700 HA LYS 96 HA LYS 96 -6.047 -21.344 3.316 701 HB2 LYS 96 2HB LYS 96 -5.963 -21.073 6.320 702 HB3 LYS 96 3HB LYS 96 -6.425 -19.851 5.143 703 HG2 LYS 96 2HG LYS 96 -8.420 -21.113 4.580 704 HG3 LYS 96 3HG LYS 96 -7.947 -22.388 5.705 705 HD2 LYS 96 2HD LYS 96 -7.906 -20.463 7.454 706 HD3 LYS 96 3HD LYS 96 -8.914 -19.615 6.279 707 HE2 LYS 96 2HE LYS 96 -10.288 -21.838 6.298 708 HE3 LYS 96 3HE LYS 96 -9.496 -22.086 7.853 709 HZ1 LYS 96 3HZ LYS 96 -11.714 -20.476 7.272 710 HZ2 LYS 96 1HZ LYS 96 -10.457 -19.463 7.778 711 HZ3 LYS 96 2HZ LYS 96 -10.969 -20.734 8.769 712 H ILE 97 H ILE 97 -4.525 -19.447 3.925 713 HA ILE 97 HA ILE 97 -1.900 -20.436 4.781 714 HB ILE 97 HB ILE 97 -2.465 -18.986 2.198 715 HG12 ILE 97 2HG1 ILE 97 -1.060 -21.593 2.822 716 HG13 ILE 97 3HG1 ILE 97 -2.664 -21.428 2.116 717 HG21 ILE 97 1HG2 ILE 97 0.001 -18.912 1.913 718 HG22 ILE 97 2HG2 ILE 97 -0.591 -17.883 3.215 719 HG23 ILE 97 3HG2 ILE 97 0.171 -19.428 3.590 720 HD11 ILE 97 3HD1 ILE 97 -0.069 -20.565 0.862 721 HD12 ILE 97 1HD1 ILE 97 -1.036 -21.971 0.418 722 HD13 ILE 97 2HD1 ILE 97 -1.670 -20.347 0.155 723 H GLY 98 H GLY 98 -1.074 -19.144 6.282 724 HA2 GLY 98 2HA GLY 98 -2.170 -16.446 6.585 725 HA3 GLY 98 3HA GLY 98 -1.244 -17.329 7.790 726 H VAL 99 H VAL 99 0.672 -16.463 8.170 727 HA VAL 99 HA VAL 99 2.033 -15.040 5.980 728 HB VAL 99 HB VAL 99 3.338 -14.340 8.326 729 HG11 VAL 99 1HG1 VAL 99 2.691 -12.183 7.792 730 HG12 VAL 99 2HG1 VAL 99 2.520 -13.019 6.247 731 HG13 VAL 99 3HG1 VAL 99 1.096 -12.689 7.236 732 HG21 VAL 99 3HG2 VAL 99 1.533 -13.559 9.813 733 HG22 VAL 99 1HG2 VAL 99 0.360 -14.403 8.801 734 HG23 VAL 99 2HG2 VAL 99 1.583 -15.317 9.683 735 H GLU 100 H GLU 100 2.805 -16.902 8.927 736 HA GLU 100 HA GLU 100 5.463 -17.441 8.337 737 HB2 GLU 100 2HB GLU 100 3.484 -18.392 10.211 738 HB3 GLU 100 3HB GLU 100 4.489 -19.722 9.653 739 HG2 GLU 100 2HG GLU 100 5.426 -17.168 10.938 740 HG3 GLU 100 3HG GLU 100 5.429 -18.780 11.652 741 H GLU 101 H GLU 101 2.570 -18.837 7.041 742 HA GLU 101 HA GLU 101 3.971 -21.096 5.869 743 HB2 GLU 101 2HB GLU 101 1.120 -20.275 5.339 744 HB3 GLU 101 3HB GLU 101 1.844 -21.864 5.139 745 HG2 GLU 101 2HG GLU 101 2.047 -22.127 7.521 746 HG3 GLU 101 3HG GLU 101 1.471 -20.482 7.785 747 H PHE 102 H PHE 102 3.016 -17.901 5.022 748 HA PHE 102 HA PHE 102 2.970 -18.247 2.193 749 HB2 PHE 102 2HB PHE 102 1.854 -16.362 3.372 750 HB3 PHE 102 3HB PHE 102 3.440 -15.712 3.775 751 HD1 PHE 102 HD1 PHE 102 1.157 -16.497 0.982 752 HD2 PHE 102 HD2 PHE 102 4.665 -14.431 2.224 753 HE1 PHE 102 HE1 PHE 102 1.196 -15.283 -1.158 754 HE2 PHE 102 HE2 PHE 102 4.709 -13.213 0.087 755 HZ PHE 102 HZ PHE 102 2.972 -13.637 -1.607 756 H GLN 103 H GLN 103 5.316 -16.504 4.242 757 HA GLN 103 HA GLN 103 7.290 -16.207 2.312 758 HB2 GLN 103 2HB GLN 103 8.862 -15.970 4.253 759 HB3 GLN 103 3HB GLN 103 7.433 -14.950 4.339 760 HG2 GLN 103 2HG GLN 103 6.400 -16.504 5.900 761 HG3 GLN 103 3HG GLN 103 7.811 -17.556 5.796 762 HE21 GLN 103 1HE2 GLN 103 6.434 -14.783 7.234 763 HE22 GLN 103 2HE2 GLN 103 7.771 -14.359 8.243 764 H SER 104 H SER 104 6.417 -18.977 4.200 765 HA SER 104 HA SER 104 8.841 -20.424 3.935 766 HB2 SER 104 2HB SER 104 7.068 -20.943 5.613 767 HB3 SER 104 3HB SER 104 6.047 -21.532 4.301 768 HG SER 104 HG SER 104 7.292 -23.174 5.425 769 H LEU 105 H LEU 105 6.489 -19.571 1.687 770 HA LEU 105 HA LEU 105 7.147 -21.833 -0.070 771 HB2 LEU 105 2HB LEU 105 4.799 -21.590 0.192 772 HB3 LEU 105 3HB LEU 105 4.884 -19.852 -0.086 773 HG LEU 105 HG LEU 105 5.739 -21.659 -2.288 774 HD11 LEU 105 1HD1 LEU 105 3.799 -22.818 -1.987 775 HD12 LEU 105 2HD1 LEU 105 3.190 -21.473 -2.950 776 HD13 LEU 105 3HD1 LEU 105 2.981 -21.468 -1.199 777 HD21 LEU 105 3HD2 LEU 105 5.514 -18.974 -2.038 778 HD22 LEU 105 1HD2 LEU 105 3.939 -19.376 -2.722 779 HD23 LEU 105 2HD2 LEU 105 5.413 -19.841 -3.571 780 H VAL 106 H VAL 106 7.019 -18.303 0.068 781 HA VAL 106 HA VAL 106 7.917 -17.814 -2.559 782 HB VAL 106 HB VAL 106 8.286 -16.072 -0.118 783 HG11 VAL 106 1HG1 VAL 106 9.489 -14.809 -1.509 784 HG12 VAL 106 2HG1 VAL 106 9.007 -15.759 -2.916 785 HG13 VAL 106 3HG1 VAL 106 7.970 -14.457 -2.332 786 HG21 VAL 106 3HG2 VAL 106 6.234 -14.962 -1.459 787 HG22 VAL 106 1HG2 VAL 106 5.961 -16.664 -1.835 788 HG23 VAL 106 2HG2 VAL 106 6.026 -16.131 -0.155 789 H LYS 107 H LYS 107 9.636 -18.226 0.501 790 HA LYS 107 HA LYS 107 12.204 -17.549 -0.424 791 HB2 LYS 107 2HB LYS 107 11.381 -19.421 1.803 792 HB3 LYS 107 3HB LYS 107 13.016 -18.824 1.549 793 HG2 LYS 107 2HG LYS 107 12.460 -16.660 2.175 794 HG3 LYS 107 3HG LYS 107 10.735 -16.921 1.902 795 HD2 LYS 107 2HD LYS 107 11.142 -16.848 4.271 796 HD3 LYS 107 3HD LYS 107 10.729 -18.503 3.819 797 HE2 LYS 107 2HE LYS 107 12.943 -19.234 4.037 798 HE3 LYS 107 3HE LYS 107 13.582 -17.591 3.993 799 HZ1 LYS 107 3HZ LYS 107 11.837 -17.760 6.159 800 HZ2 LYS 107 1HZ LYS 107 13.517 -17.567 6.190 801 HZ3 LYS 107 2HZ LYS 107 12.843 -19.118 6.230 802 H ALA 108 H ALA 108 10.244 -20.253 -1.062 803 HA ALA 108 HA ALA 108 12.505 -21.960 -1.778 804 HB1 ALA 108 1HB ALA 108 10.450 -22.801 -0.528 805 HB2 ALA 108 2HB ALA 108 9.603 -22.673 -2.071 806 HB3 ALA 108 3HB ALA 108 10.992 -23.748 -1.914 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -0.823 -0.875 -0.805 2 HA ALA 1 HA ALA 1 0.652 -0.111 -3.206 3 HB1 ALA 1 1HB ALA 1 0.514 1.569 -1.489 4 HB2 ALA 1 2HB ALA 1 1.167 0.452 -0.290 5 HB3 ALA 1 3HB ALA 1 2.184 1.015 -1.617 6 H ILE 2 H ILE 2 1.903 -1.613 -4.095 7 HA ILE 2 HA ILE 2 3.345 -3.471 -2.319 8 HB ILE 2 HB ILE 2 1.711 -4.558 -3.839 9 HG12 ILE 2 2HG1 ILE 2 3.276 -6.261 -4.717 10 HG13 ILE 2 3HG1 ILE 2 4.620 -5.165 -4.412 11 HG21 ILE 2 1HG2 ILE 2 1.603 -4.163 -6.036 12 HG22 ILE 2 2HG2 ILE 2 2.601 -2.749 -5.697 13 HG23 ILE 2 3HG2 ILE 2 3.354 -4.252 -6.227 14 HD11 ILE 2 3HD1 ILE 2 4.189 -5.254 -2.036 15 HD12 ILE 2 1HD1 ILE 2 2.781 -6.279 -2.308 16 HD13 ILE 2 2HD1 ILE 2 4.396 -6.881 -2.683 17 H THR 3 H THR 3 3.623 -1.044 -4.731 18 HA THR 3 HA THR 3 6.174 -1.677 -5.764 19 HB THR 3 HB THR 3 6.273 0.715 -6.446 20 HG1 THR 3 HG1 THR 3 4.521 2.050 -5.922 21 HG21 THR 3 3HG2 THR 3 3.599 0.284 -7.333 22 HG22 THR 3 1HG2 THR 3 4.423 -1.273 -7.262 23 HG23 THR 3 2HG2 THR 3 5.105 0.042 -8.218 24 H ASP 4 H ASP 4 5.132 -0.174 -2.819 25 HA ASP 4 HA ASP 4 7.463 1.237 -2.143 26 HB2 ASP 4 2HB ASP 4 5.203 0.063 -0.559 27 HB3 ASP 4 3HB ASP 4 6.598 0.744 0.273 28 H ILE 5 H ILE 5 6.846 -2.113 -2.310 29 HA ILE 5 HA ILE 5 9.310 -2.673 -0.792 30 HB ILE 5 HB ILE 5 7.384 -4.872 -1.308 31 HG12 ILE 5 2HG1 ILE 5 6.925 -2.706 0.753 32 HG13 ILE 5 3HG1 ILE 5 5.870 -3.111 -0.597 33 HG21 ILE 5 1HG2 ILE 5 9.682 -4.869 -0.056 34 HG22 ILE 5 2HG2 ILE 5 8.714 -4.272 1.292 35 HG23 ILE 5 3HG2 ILE 5 8.334 -5.828 0.554 36 HD11 ILE 5 3HD1 ILE 5 5.566 -5.365 0.430 37 HD12 ILE 5 1HD1 ILE 5 6.444 -4.771 1.839 38 HD13 ILE 5 2HD1 ILE 5 4.916 -4.023 1.372 39 H LEU 6 H LEU 6 7.323 -3.781 -3.527 40 HA LEU 6 HA LEU 6 9.670 -5.088 -4.686 41 HB2 LEU 6 2HB LEU 6 6.764 -5.410 -4.903 42 HB3 LEU 6 3HB LEU 6 7.628 -5.549 -6.433 43 HG LEU 6 HG LEU 6 8.899 -7.405 -5.629 44 HD11 LEU 6 1HD1 LEU 6 8.176 -6.338 -3.043 45 HD12 LEU 6 2HD1 LEU 6 9.474 -7.447 -3.484 46 HD13 LEU 6 3HD1 LEU 6 7.861 -8.070 -3.142 47 HD21 LEU 6 3HD2 LEU 6 6.075 -7.847 -4.683 48 HD22 LEU 6 1HD2 LEU 6 7.195 -9.034 -5.354 49 HD23 LEU 6 2HD2 LEU 6 6.528 -7.769 -6.387 50 H SER 7 H SER 7 9.497 -4.952 -7.269 51 HA SER 7 HA SER 7 9.367 -2.082 -7.932 52 HB2 SER 7 2HB SER 7 11.437 -4.145 -8.511 53 HB3 SER 7 3HB SER 7 11.126 -2.933 -9.753 54 HG SER 7 HG SER 7 11.819 -2.429 -7.046 55 H ALA 8 H ALA 8 8.145 -1.508 -9.619 56 HA ALA 8 HA ALA 8 6.288 -3.191 -10.786 57 HB1 ALA 8 1HB ALA 8 6.941 -0.473 -10.941 58 HB2 ALA 8 2HB ALA 8 6.945 -1.065 -12.603 59 HB3 ALA 8 3HB ALA 8 5.512 -1.275 -11.596 60 H LYS 9 H LYS 9 9.403 -2.106 -12.113 61 HA LYS 9 HA LYS 9 9.216 -3.435 -14.575 62 HB2 LYS 9 2HB LYS 9 10.954 -1.679 -13.614 63 HB3 LYS 9 3HB LYS 9 11.871 -3.133 -13.244 64 HG2 LYS 9 2HG LYS 9 12.596 -2.309 -15.358 65 HG3 LYS 9 3HG LYS 9 11.676 -3.790 -15.635 66 HD2 LYS 9 2HD LYS 9 9.885 -2.660 -16.558 67 HD3 LYS 9 3HD LYS 9 10.287 -1.147 -15.743 68 HE2 LYS 9 2HE LYS 9 10.847 -0.756 -17.976 69 HE3 LYS 9 3HE LYS 9 12.388 -1.138 -17.209 70 HZ1 LYS 9 3HZ LYS 9 11.781 -2.255 -19.432 71 HZ2 LYS 9 1HZ LYS 9 10.806 -3.267 -18.490 72 HZ3 LYS 9 2HZ LYS 9 12.473 -3.199 -18.210 73 H ASP 10 H ASP 10 9.693 -4.649 -11.426 74 HA ASP 10 HA ASP 10 10.834 -7.160 -12.419 75 HB2 ASP 10 2HB ASP 10 10.964 -5.701 -9.902 76 HB3 ASP 10 3HB ASP 10 10.540 -7.395 -9.664 77 H ILE 11 H ILE 11 7.920 -5.763 -11.193 78 HA ILE 11 HA ILE 11 6.662 -8.250 -10.499 79 HB ILE 11 HB ILE 11 5.489 -5.500 -10.919 80 HG12 ILE 11 2HG1 ILE 11 5.700 -6.879 -8.276 81 HG13 ILE 11 3HG1 ILE 11 7.143 -6.135 -8.956 82 HG21 ILE 11 1HG2 ILE 11 4.252 -8.097 -10.089 83 HG22 ILE 11 2HG2 ILE 11 3.585 -6.560 -9.540 84 HG23 ILE 11 3HG2 ILE 11 3.677 -6.915 -11.265 85 HD11 ILE 11 3HD1 ILE 11 5.834 -4.714 -7.366 86 HD12 ILE 11 1HD1 ILE 11 6.143 -3.991 -8.944 87 HD13 ILE 11 2HD1 ILE 11 4.554 -4.662 -8.578 88 H GLU 12 H GLU 12 6.237 -5.901 -13.147 89 HA GLU 12 HA GLU 12 4.381 -7.507 -14.574 90 HB2 GLU 12 2HB GLU 12 6.137 -5.301 -15.660 91 HB3 GLU 12 3HB GLU 12 4.654 -5.914 -16.378 92 HG2 GLU 12 2HG GLU 12 3.414 -5.117 -14.391 93 HG3 GLU 12 3HG GLU 12 4.911 -4.408 -13.786 94 H SER 13 H SER 13 7.843 -7.365 -14.445 95 HA SER 13 HA SER 13 8.241 -8.828 -16.900 96 HB2 SER 13 2HB SER 13 9.909 -7.187 -16.084 97 HB3 SER 13 3HB SER 13 10.210 -8.214 -14.682 98 HG SER 13 HG SER 13 11.499 -8.354 -16.864 99 H ALA 14 H ALA 14 7.339 -9.635 -13.773 100 HA ALA 14 HA ALA 14 8.521 -12.313 -13.899 101 HB1 ALA 14 1HB ALA 14 7.947 -12.554 -11.598 102 HB2 ALA 14 2HB ALA 14 8.677 -10.960 -11.799 103 HB3 ALA 14 3HB ALA 14 6.928 -11.115 -11.641 104 H LEU 15 H LEU 15 5.635 -10.674 -14.593 105 HA LEU 15 HA LEU 15 3.890 -12.942 -14.150 106 HB2 LEU 15 2HB LEU 15 3.536 -10.150 -15.150 107 HB3 LEU 15 3HB LEU 15 2.284 -11.352 -15.458 108 HG LEU 15 HG LEU 15 3.268 -10.471 -12.744 109 HD11 LEU 15 1HD1 LEU 15 1.920 -8.734 -13.198 110 HD12 LEU 15 2HD1 LEU 15 0.628 -9.883 -12.851 111 HD13 LEU 15 3HD1 LEU 15 1.107 -9.573 -14.520 112 HD21 LEU 15 3HD2 LEU 15 1.758 -12.787 -13.627 113 HD22 LEU 15 1HD2 LEU 15 0.867 -11.809 -12.461 114 HD23 LEU 15 2HD2 LEU 15 2.466 -12.430 -12.051 115 H SER 16 H SER 16 5.495 -11.338 -16.832 116 HA SER 16 HA SER 16 4.189 -12.987 -18.816 117 HB2 SER 16 2HB SER 16 6.341 -11.769 -20.068 118 HB3 SER 16 3HB SER 16 4.696 -11.139 -19.997 119 HG SER 16 HG SER 16 6.084 -9.569 -19.230 120 H SER 17 H SER 17 6.594 -13.526 -16.635 121 HA SER 17 HA SER 17 8.149 -15.268 -18.411 122 HB2 SER 17 2HB SER 17 8.701 -14.304 -15.595 123 HB3 SER 17 3HB SER 17 9.743 -15.407 -16.495 124 HG SER 17 HG SER 17 9.498 -13.509 -18.140 125 H CYS 18 H CYS 18 5.612 -15.375 -16.215 126 HA CYS 18 HA CYS 18 6.006 -18.268 -15.825 127 HB2 CYS 18 2HB CYS 18 4.980 -18.132 -13.652 128 HB3 CYS 18 3HB CYS 18 6.288 -16.957 -13.715 129 HG CYS 18 HG CYS 18 3.382 -16.402 -12.643 130 H GLN 19 H GLN 19 4.617 -16.876 -17.966 131 HA GLN 19 HA GLN 19 1.838 -17.672 -17.414 132 HB2 GLN 19 2HB GLN 19 1.358 -16.250 -19.492 133 HB3 GLN 19 3HB GLN 19 1.794 -15.404 -18.013 134 HG2 GLN 19 2HG GLN 19 2.929 -14.400 -19.870 135 HG3 GLN 19 3HG GLN 19 4.105 -15.210 -18.836 136 HE21 GLN 19 1HE2 GLN 19 5.590 -16.294 -19.890 137 HE22 GLN 19 2HE2 GLN 19 5.408 -17.048 -21.433 138 H ALA 20 H ALA 20 4.227 -19.302 -18.320 139 HA ALA 20 HA ALA 20 2.832 -20.651 -20.505 140 HB1 ALA 20 1HB ALA 20 4.849 -18.999 -21.163 141 HB2 ALA 20 2HB ALA 20 5.753 -20.485 -20.867 142 HB3 ALA 20 3HB ALA 20 4.455 -20.465 -22.061 143 H ALA 21 H ALA 21 4.568 -22.634 -21.083 144 HA ALA 21 HA ALA 21 4.678 -24.103 -18.553 145 HB1 ALA 21 1HB ALA 21 4.300 -26.015 -19.719 146 HB2 ALA 21 2HB ALA 21 3.575 -24.870 -20.849 147 HB3 ALA 21 3HB ALA 21 5.210 -25.469 -21.128 148 H ASP 22 H ASP 22 6.710 -22.681 -20.934 149 HA ASP 22 HA ASP 22 9.061 -23.862 -19.610 150 HB2 ASP 22 2HB ASP 22 8.471 -24.555 -22.092 151 HB3 ASP 22 3HB ASP 22 9.223 -23.008 -22.470 152 H SER 23 H SER 23 7.451 -21.251 -19.450 153 HA SER 23 HA SER 23 9.400 -19.265 -20.254 154 HB2 SER 23 2HB SER 23 6.950 -18.840 -20.430 155 HB3 SER 23 3HB SER 23 6.846 -18.897 -18.670 156 HG SER 23 HG SER 23 8.363 -17.062 -20.217 157 H PHE 24 H PHE 24 8.366 -20.900 -17.348 158 HA PHE 24 HA PHE 24 10.041 -19.189 -15.677 159 HB2 PHE 24 2HB PHE 24 7.640 -20.177 -15.123 160 HB3 PHE 24 3HB PHE 24 8.593 -21.553 -14.577 161 HD1 PHE 24 HD2 PHE 24 10.930 -20.321 -13.386 162 HD2 PHE 24 HD1 PHE 24 6.852 -19.111 -13.240 163 HE1 PHE 24 HE2 PHE 24 11.348 -19.181 -11.247 164 HE2 PHE 24 HE1 PHE 24 7.264 -17.968 -11.101 165 HZ PHE 24 HZ PHE 24 9.514 -18.003 -10.101 166 H ASN 25 H ASN 25 12.030 -19.914 -16.684 167 HA ASN 25 HA ASN 25 12.821 -22.667 -16.103 168 HB2 ASN 25 2HB ASN 25 14.783 -22.197 -17.493 169 HB3 ASN 25 3HB ASN 25 13.300 -21.785 -18.349 170 HD21 ASN 25 1HD2 ASN 25 15.786 -20.795 -19.069 171 HD22 ASN 25 2HD2 ASN 25 15.812 -19.090 -18.789 172 H TYR 26 H TYR 26 15.297 -22.778 -15.484 173 HA TYR 26 HA TYR 26 15.557 -22.046 -12.843 174 HB2 TYR 26 2HB TYR 26 18.064 -22.350 -13.251 175 HB3 TYR 26 3HB TYR 26 17.022 -23.713 -13.644 176 HD1 TYR 26 HD2 TYR 26 18.957 -20.916 -15.095 177 HD2 TYR 26 HD1 TYR 26 16.883 -24.552 -15.859 178 HE1 TYR 26 HE2 TYR 26 19.879 -20.956 -17.375 179 HE2 TYR 26 HE1 TYR 26 17.800 -24.603 -18.140 180 HH TYR 26 HH TYR 26 19.734 -21.934 -19.403 181 H LYS 27 H LYS 27 16.293 -20.198 -15.710 182 HA LYS 27 HA LYS 27 17.774 -18.154 -14.351 183 HB2 LYS 27 2HB LYS 27 16.667 -18.506 -17.109 184 HB3 LYS 27 3HB LYS 27 17.186 -16.908 -16.590 185 HG2 LYS 27 2HG LYS 27 19.057 -19.169 -16.165 186 HG3 LYS 27 3HG LYS 27 18.815 -18.591 -17.816 187 HD2 LYS 27 2HD LYS 27 19.332 -16.290 -17.018 188 HD3 LYS 27 3HD LYS 27 19.719 -16.972 -15.436 189 HE2 LYS 27 2HE LYS 27 21.328 -18.504 -16.774 190 HE3 LYS 27 3HE LYS 27 21.158 -17.292 -18.043 191 HZ1 LYS 27 3HZ LYS 27 21.710 -15.685 -16.072 192 HZ2 LYS 27 1HZ LYS 27 22.945 -16.476 -16.916 193 HZ3 LYS 27 2HZ LYS 27 22.433 -17.066 -15.415 194 H SER 28 H SER 28 14.432 -18.620 -15.346 195 HA SER 28 HA SER 28 13.491 -16.018 -14.917 196 HB2 SER 28 2HB SER 28 12.316 -18.101 -15.967 197 HB3 SER 28 3HB SER 28 11.789 -18.418 -14.314 198 HG SER 28 HG SER 28 10.628 -16.580 -14.313 199 H PHE 29 H PHE 29 14.210 -18.607 -12.700 200 HA PHE 29 HA PHE 29 12.838 -17.416 -10.470 201 HB2 PHE 29 2HB PHE 29 13.099 -19.832 -10.553 202 HB3 PHE 29 3HB PHE 29 14.851 -19.669 -10.605 203 HD1 PHE 29 HD1 PHE 29 16.074 -18.863 -8.612 204 HD2 PHE 29 HD2 PHE 29 11.909 -19.732 -8.510 205 HE1 PHE 29 HE1 PHE 29 16.157 -18.953 -6.154 206 HE2 PHE 29 HE2 PHE 29 11.985 -19.823 -6.052 207 HZ PHE 29 HZ PHE 29 14.110 -19.433 -4.871 208 H PHE 30 H PHE 30 15.961 -17.172 -11.913 209 HA PHE 30 HA PHE 30 17.251 -16.079 -9.576 210 HB2 PHE 30 2HB PHE 30 18.104 -16.336 -12.462 211 HB3 PHE 30 3HB PHE 30 19.109 -15.584 -11.227 212 HD1 PHE 30 HD2 PHE 30 18.599 -17.365 -8.929 213 HD2 PHE 30 HD1 PHE 30 19.263 -18.262 -13.037 214 HE1 PHE 30 HE2 PHE 30 19.479 -19.574 -8.301 215 HE2 PHE 30 HE1 PHE 30 20.144 -20.474 -12.415 216 HZ PHE 30 HZ PHE 30 20.254 -21.132 -10.044 217 H SER 31 H SER 31 15.670 -14.875 -12.457 218 HA SER 31 HA SER 31 16.279 -12.116 -11.642 219 HB2 SER 31 2HB SER 31 16.888 -12.777 -13.969 220 HB3 SER 31 3HB SER 31 15.183 -13.089 -14.291 221 HG SER 31 HG SER 31 14.772 -10.986 -14.275 222 H THR 32 H THR 32 14.226 -13.927 -10.473 223 HA THR 32 HA THR 32 11.644 -13.287 -11.305 224 HB THR 32 HB THR 32 11.323 -13.544 -8.604 225 HG1 THR 32 HG1 THR 32 12.988 -14.571 -7.742 226 HG21 THR 32 3HG2 THR 32 10.133 -15.197 -9.515 227 HG22 THR 32 1HG2 THR 32 11.607 -16.165 -9.522 228 HG23 THR 32 2HG2 THR 32 11.162 -15.227 -10.947 229 H VAL 33 H VAL 33 10.072 -12.031 -9.821 230 HA VAL 33 HA VAL 33 10.522 -9.326 -10.056 231 HB VAL 33 HB VAL 33 8.294 -10.076 -9.696 232 HG11 VAL 33 1HG1 VAL 33 8.017 -10.774 -7.037 233 HG12 VAL 33 2HG1 VAL 33 8.010 -11.879 -8.413 234 HG13 VAL 33 3HG1 VAL 33 9.507 -11.580 -7.528 235 HG21 VAL 33 3HG2 VAL 33 8.797 -7.841 -8.837 236 HG22 VAL 33 1HG2 VAL 33 7.535 -8.624 -7.885 237 HG23 VAL 33 2HG2 VAL 33 9.182 -8.530 -7.260 238 H GLY 34 H GLY 34 11.447 -11.478 -7.457 239 HA2 GLY 34 2HA GLY 34 13.508 -10.669 -6.279 240 HA3 GLY 34 3HA GLY 34 12.624 -9.170 -6.036 241 H LEU 35 H LEU 35 10.113 -10.778 -5.592 242 HA LEU 35 HA LEU 35 10.074 -10.766 -2.825 243 HB2 LEU 35 2HB LEU 35 8.279 -11.337 -4.875 244 HB3 LEU 35 3HB LEU 35 8.319 -12.801 -3.895 245 HG LEU 35 HG LEU 35 7.510 -10.027 -3.052 246 HD11 LEU 35 1HD1 LEU 35 5.516 -11.503 -2.255 247 HD12 LEU 35 2HD1 LEU 35 6.138 -12.648 -3.443 248 HD13 LEU 35 3HD1 LEU 35 5.645 -11.033 -3.950 249 HD21 LEU 35 3HD2 LEU 35 7.166 -11.051 -0.798 250 HD22 LEU 35 1HD2 LEU 35 8.856 -10.854 -1.262 251 HD23 LEU 35 2HD2 LEU 35 8.097 -12.444 -1.350 252 H SER 36 H SER 36 10.548 -13.542 -4.999 253 HA SER 36 HA SER 36 10.872 -15.457 -2.949 254 HB2 SER 36 2HB SER 36 12.138 -16.694 -4.893 255 HB3 SER 36 3HB SER 36 10.398 -16.428 -5.003 256 HG SER 36 HG SER 36 11.317 -15.782 -6.926 257 H SER 37 H SER 37 12.901 -12.975 -4.048 258 HA SER 37 HA SER 37 15.232 -14.242 -2.765 259 HB2 SER 37 2HB SER 37 15.218 -13.539 -5.326 260 HB3 SER 37 3HB SER 37 15.586 -11.953 -4.649 261 HG SER 37 HG SER 37 17.346 -12.987 -3.530 262 H LYS 38 H LYS 38 12.969 -12.513 -1.715 263 HA LYS 38 HA LYS 38 14.371 -10.107 -0.874 264 HB2 LYS 38 2HB LYS 38 11.572 -11.074 -0.827 265 HB3 LYS 38 3HB LYS 38 12.047 -10.020 0.498 266 HG2 LYS 38 2HG LYS 38 12.520 -9.294 -2.376 267 HG3 LYS 38 3HG LYS 38 11.014 -8.918 -1.535 268 HD2 LYS 38 2HD LYS 38 12.185 -7.578 0.079 269 HD3 LYS 38 3HD LYS 38 13.747 -8.077 -0.574 270 HE2 LYS 38 2HE LYS 38 12.883 -7.057 -2.785 271 HE3 LYS 38 3HE LYS 38 11.695 -6.246 -1.767 272 HZ1 LYS 38 3HZ LYS 38 14.422 -6.048 -0.831 273 HZ2 LYS 38 1HZ LYS 38 13.227 -4.856 -0.950 274 HZ3 LYS 38 2HZ LYS 38 14.135 -5.282 -2.312 275 H THR 39 H THR 39 13.833 -9.556 1.582 276 HA THR 39 HA THR 39 15.210 -11.601 3.111 277 HB THR 39 HB THR 39 15.151 -8.797 3.206 278 HG1 THR 39 HG1 THR 39 16.954 -9.231 4.244 279 HG21 THR 39 3HG2 THR 39 14.516 -8.270 5.474 280 HG22 THR 39 1HG2 THR 39 14.105 -9.955 5.791 281 HG23 THR 39 2HG2 THR 39 13.142 -9.011 4.654 282 HA PRO 40 HA PRO 40 11.738 -13.262 5.225 283 HB2 PRO 40 2HB PRO 40 12.797 -13.769 7.672 284 HB3 PRO 40 3HB PRO 40 13.198 -14.719 6.236 285 HG2 PRO 40 2HG PRO 40 14.731 -12.493 7.526 286 HG3 PRO 40 3HG PRO 40 15.326 -14.033 6.877 287 HD2 PRO 40 2HD PRO 40 15.518 -11.704 5.509 288 HD3 PRO 40 3HD PRO 40 15.301 -13.270 4.702 289 H ASP 41 H ASP 41 10.825 -10.961 5.087 290 HA ASP 41 HA ASP 41 9.623 -10.300 7.526 291 HB2 ASP 41 2HB ASP 41 12.158 -9.365 7.581 292 HB3 ASP 41 3HB ASP 41 11.348 -7.998 6.822 293 H GLN 42 H GLN 42 10.762 -8.965 4.447 294 HA GLN 42 HA GLN 42 8.520 -7.196 4.175 295 HB2 GLN 42 2HB GLN 42 10.408 -8.082 1.995 296 HB3 GLN 42 3HB GLN 42 9.440 -6.615 2.045 297 HG2 GLN 42 2HG GLN 42 10.790 -5.680 3.755 298 HG3 GLN 42 3HG GLN 42 11.629 -7.208 4.015 299 HE21 GLN 42 1HE2 GLN 42 11.210 -4.504 1.841 300 HE22 GLN 42 2HE2 GLN 42 12.683 -4.727 0.967 301 H ILE 43 H ILE 43 9.210 -10.478 3.350 302 HA ILE 43 HA ILE 43 7.434 -10.876 1.226 303 HB ILE 43 HB ILE 43 8.234 -12.826 3.390 304 HG12 ILE 43 2HG1 ILE 43 9.348 -12.422 0.606 305 HG13 ILE 43 3HG1 ILE 43 10.114 -11.853 2.085 306 HG21 ILE 43 1HG2 ILE 43 7.703 -14.196 1.022 307 HG22 ILE 43 2HG2 ILE 43 6.734 -14.198 2.494 308 HG23 ILE 43 3HG2 ILE 43 6.373 -13.054 1.202 309 HD11 ILE 43 3HD1 ILE 43 10.859 -14.087 0.971 310 HD12 ILE 43 1HD1 ILE 43 10.743 -13.959 2.726 311 HD13 ILE 43 2HD1 ILE 43 9.453 -14.741 1.812 312 H LYS 44 H LYS 44 6.908 -10.802 4.700 313 HA LYS 44 HA LYS 44 4.241 -11.794 4.626 314 HB2 LYS 44 2HB LYS 44 4.160 -11.350 6.917 315 HB3 LYS 44 3HB LYS 44 5.865 -11.667 6.627 316 HG2 LYS 44 2HG LYS 44 5.984 -9.069 6.330 317 HG3 LYS 44 3HG LYS 44 4.494 -9.106 7.275 318 HD2 LYS 44 2HD LYS 44 5.925 -10.714 8.808 319 HD3 LYS 44 3HD LYS 44 7.269 -9.849 8.059 320 HE2 LYS 44 2HE LYS 44 6.354 -7.731 8.803 321 HE3 LYS 44 3HE LYS 44 4.942 -8.547 9.471 322 HZ1 LYS 44 3HZ LYS 44 6.811 -9.845 10.769 323 HZ2 LYS 44 1HZ LYS 44 6.201 -8.371 11.333 324 HZ3 LYS 44 2HZ LYS 44 7.673 -8.414 10.501 325 H LYS 45 H LYS 45 5.689 -8.612 4.383 326 HA LYS 45 HA LYS 45 3.278 -7.135 4.700 327 HB2 LYS 45 2HB LYS 45 6.033 -6.520 3.710 328 HB3 LYS 45 3HB LYS 45 4.740 -5.365 3.411 329 HG2 LYS 45 2HG LYS 45 5.086 -6.388 6.176 330 HG3 LYS 45 3HG LYS 45 6.262 -5.227 5.558 331 HD2 LYS 45 2HD LYS 45 4.698 -3.817 6.483 332 HD3 LYS 45 3HD LYS 45 4.118 -3.913 4.818 333 HE2 LYS 45 2HE LYS 45 2.344 -5.290 5.380 334 HE3 LYS 45 3HE LYS 45 3.118 -5.853 6.861 335 HZ1 LYS 45 3HZ LYS 45 2.724 -3.071 7.017 336 HZ2 LYS 45 1HZ LYS 45 2.066 -4.288 7.991 337 HZ3 LYS 45 2HZ LYS 45 1.262 -3.803 6.584 338 H VAL 46 H VAL 46 4.495 -9.038 2.179 339 HA VAL 46 HA VAL 46 3.043 -7.603 0.093 340 HB VAL 46 HB VAL 46 4.730 -10.104 -0.079 341 HG11 VAL 46 1HG1 VAL 46 3.299 -8.483 -2.165 342 HG12 VAL 46 2HG1 VAL 46 4.668 -9.525 -2.558 343 HG13 VAL 46 3HG1 VAL 46 3.202 -10.217 -1.862 344 HG21 VAL 46 3HG2 VAL 46 5.936 -7.992 0.503 345 HG22 VAL 46 1HG2 VAL 46 6.441 -8.724 -1.020 346 HG23 VAL 46 2HG2 VAL 46 5.378 -7.316 -1.027 347 H PHE 47 H PHE 47 2.658 -10.266 2.223 348 HA PHE 47 HA PHE 47 0.669 -11.619 0.627 349 HB2 PHE 47 2HB PHE 47 1.578 -13.233 1.933 350 HB3 PHE 47 3HB PHE 47 2.049 -12.091 3.187 351 HD1 PHE 47 HD2 PHE 47 -0.830 -13.978 1.825 352 HD2 PHE 47 HD1 PHE 47 0.795 -11.873 5.147 353 HE1 PHE 47 HE2 PHE 47 -2.698 -14.755 3.226 354 HE2 PHE 47 HE1 PHE 47 -1.070 -12.646 6.554 355 HZ PHE 47 HZ PHE 47 -2.820 -14.088 5.593 356 H GLY 48 H GLY 48 0.753 -9.139 3.037 357 HA2 GLY 48 2HA GLY 48 -1.959 -9.385 3.903 358 HA3 GLY 48 3HA GLY 48 -0.906 -8.002 4.163 359 H ILE 49 H ILE 49 -0.679 -8.403 0.983 360 HA ILE 49 HA ILE 49 -2.786 -6.440 0.463 361 HB ILE 49 HB ILE 49 -0.587 -7.285 -1.418 362 HG12 ILE 49 2HG1 ILE 49 -0.602 -4.967 0.527 363 HG13 ILE 49 3HG1 ILE 49 0.367 -6.427 0.694 364 HG21 ILE 49 1HG2 ILE 49 -2.838 -5.515 -1.608 365 HG22 ILE 49 2HG2 ILE 49 -1.336 -4.612 -1.798 366 HG23 ILE 49 3HG2 ILE 49 -1.678 -5.985 -2.850 367 HD11 ILE 49 3HD1 ILE 49 0.784 -5.195 -1.876 368 HD12 ILE 49 1HD1 ILE 49 1.094 -4.062 -0.560 369 HD13 ILE 49 2HD1 ILE 49 1.949 -5.604 -0.616 370 H LEU 50 H LEU 50 -2.206 -9.734 0.118 371 HA LEU 50 HA LEU 50 -3.721 -10.093 -2.319 372 HB2 LEU 50 2HB LEU 50 -3.153 -12.366 -0.500 373 HB3 LEU 50 3HB LEU 50 -3.079 -12.281 -2.258 374 HG LEU 50 HG LEU 50 -1.022 -11.210 -0.327 375 HD11 LEU 50 1HD1 LEU 50 -1.064 -13.586 -2.173 376 HD12 LEU 50 2HD1 LEU 50 -0.880 -13.580 -0.420 377 HD13 LEU 50 3HD1 LEU 50 0.406 -12.940 -1.443 378 HD21 LEU 50 3HD2 LEU 50 -0.009 -11.308 -2.936 379 HD22 LEU 50 1HD2 LEU 50 -0.364 -9.874 -1.973 380 HD23 LEU 50 2HD2 LEU 50 -1.587 -10.530 -3.061 381 H ASP 51 H ASP 51 -4.144 -11.019 1.097 382 HA ASP 51 HA ASP 51 -6.679 -12.094 0.947 383 HB2 ASP 51 2HB ASP 51 -4.952 -11.637 2.970 384 HB3 ASP 51 3HB ASP 51 -6.146 -10.388 3.310 385 H GLN 52 H GLN 52 -8.684 -11.051 1.987 386 HA GLN 52 HA GLN 52 -9.084 -8.419 0.729 387 HB2 GLN 52 2HB GLN 52 -11.495 -9.040 0.648 388 HB3 GLN 52 3HB GLN 52 -10.464 -10.091 -0.313 389 HG2 GLN 52 2HG GLN 52 -10.468 -11.680 1.647 390 HG3 GLN 52 3HG GLN 52 -11.744 -10.678 2.337 391 HE21 GLN 52 1HE2 GLN 52 -13.476 -11.958 2.196 392 HE22 GLN 52 2HE2 GLN 52 -14.083 -12.648 0.733 393 H ASP 53 H ASP 53 -10.015 -10.396 3.529 394 HA ASP 53 HA ASP 53 -10.690 -7.919 4.969 395 HB2 ASP 53 2HB ASP 53 -12.472 -9.685 4.739 396 HB3 ASP 53 3HB ASP 53 -11.464 -10.740 5.727 397 H LYS 54 H LYS 54 -8.512 -10.565 4.824 398 HA LYS 54 HA LYS 54 -6.697 -11.163 6.057 399 HB2 LYS 54 2HB LYS 54 -6.984 -8.333 7.081 400 HB3 LYS 54 3HB LYS 54 -5.587 -9.361 7.370 401 HG2 LYS 54 2HG LYS 54 -6.460 -8.871 4.566 402 HG3 LYS 54 3HG LYS 54 -5.588 -7.605 5.433 403 HD2 LYS 54 2HD LYS 54 -4.604 -10.443 5.200 404 HD3 LYS 54 3HD LYS 54 -4.154 -9.161 4.073 405 HE2 LYS 54 2HE LYS 54 -2.794 -8.142 5.568 406 HE3 LYS 54 3HE LYS 54 -3.820 -8.550 6.942 407 HZ1 LYS 54 3HZ LYS 54 -1.540 -9.940 5.890 408 HZ2 LYS 54 1HZ LYS 54 -2.871 -10.957 6.134 409 HZ3 LYS 54 2HZ LYS 54 -2.258 -10.044 7.418 410 H SER 55 H SER 55 -9.185 -11.946 7.070 411 HA SER 55 HA SER 55 -9.540 -11.383 9.807 412 HB2 SER 55 2HB SER 55 -11.083 -13.207 9.834 413 HB3 SER 55 3HB SER 55 -11.221 -12.459 8.242 414 HG SER 55 HG SER 55 -11.090 -14.695 8.019 415 H GLY 56 H GLY 56 -7.192 -13.233 8.187 416 HA2 GLY 56 2HA GLY 56 -5.382 -13.719 10.005 417 HA3 GLY 56 3HA GLY 56 -6.603 -14.854 10.560 418 H PHE 57 H PHE 57 -7.347 -15.194 7.603 419 HA PHE 57 HA PHE 57 -5.037 -16.595 6.554 420 HB2 PHE 57 2HB PHE 57 -7.586 -18.093 7.198 421 HB3 PHE 57 3HB PHE 57 -6.178 -18.755 6.374 422 HD1 PHE 57 HD1 PHE 57 -3.969 -18.785 7.658 423 HD2 PHE 57 HD2 PHE 57 -7.755 -18.190 9.510 424 HE1 PHE 57 HE1 PHE 57 -3.007 -19.441 9.826 425 HE2 PHE 57 HE2 PHE 57 -6.799 -18.844 11.681 426 HZ PHE 57 HZ PHE 57 -4.423 -19.469 11.842 427 H ILE 58 H ILE 58 -5.075 -16.782 4.362 428 HA ILE 58 HA ILE 58 -7.066 -15.272 2.952 429 HB ILE 58 HB ILE 58 -4.513 -16.608 2.234 430 HG12 ILE 58 2HG1 ILE 58 -5.742 -13.941 1.503 431 HG13 ILE 58 3HG1 ILE 58 -4.641 -14.218 2.848 432 HG21 ILE 58 1HG2 ILE 58 -5.646 -17.563 0.469 433 HG22 ILE 58 2HG2 ILE 58 -6.802 -16.237 0.355 434 HG23 ILE 58 3HG2 ILE 58 -5.151 -16.019 -0.224 435 HD11 ILE 58 3HD1 ILE 58 -3.025 -15.093 1.042 436 HD12 ILE 58 1HD1 ILE 58 -4.081 -14.240 -0.084 437 HD13 ILE 58 2HD1 ILE 58 -3.267 -13.354 1.207 438 H GLU 59 H GLU 59 -6.196 -18.688 3.218 439 HA GLU 59 HA GLU 59 -7.302 -20.595 2.659 440 HB2 GLU 59 2HB GLU 59 -9.740 -18.813 2.519 441 HB3 GLU 59 3HB GLU 59 -9.734 -20.564 2.682 442 HG2 GLU 59 2HG GLU 59 -9.159 -20.501 4.885 443 HG3 GLU 59 3HG GLU 59 -8.306 -18.966 4.734 444 H GLU 60 H GLU 60 -8.572 -21.670 0.895 445 HA GLU 60 HA GLU 60 -7.553 -20.927 -1.617 446 HB2 GLU 60 2HB GLU 60 -8.386 -23.231 -0.762 447 HB3 GLU 60 3HB GLU 60 -9.967 -22.685 -1.303 448 HG2 GLU 60 2HG GLU 60 -8.053 -22.218 -3.369 449 HG3 GLU 60 3HG GLU 60 -7.930 -23.888 -2.819 450 H GLU 61 H GLU 61 -10.247 -19.793 0.109 451 HA GLU 61 HA GLU 61 -11.989 -19.146 -2.022 452 HB2 GLU 61 2HB GLU 61 -11.680 -17.940 0.730 453 HB3 GLU 61 3HB GLU 61 -12.973 -17.518 -0.384 454 HG2 GLU 61 2HG GLU 61 -13.420 -20.080 -0.407 455 HG3 GLU 61 3HG GLU 61 -12.510 -20.060 1.102 456 H GLU 62 H GLU 62 -9.540 -17.232 -0.295 457 HA GLU 62 HA GLU 62 -9.841 -15.066 -2.224 458 HB2 GLU 62 2HB GLU 62 -9.144 -15.194 0.502 459 HB3 GLU 62 3HB GLU 62 -7.697 -14.664 -0.343 460 HG2 GLU 62 2HG GLU 62 -10.315 -13.362 -0.930 461 HG3 GLU 62 3HG GLU 62 -9.418 -12.924 0.523 462 H LEU 63 H LEU 63 -7.786 -17.742 -1.551 463 HA LEU 63 HA LEU 63 -5.366 -16.915 -2.648 464 HB2 LEU 63 2HB LEU 63 -6.156 -19.156 -1.488 465 HB3 LEU 63 3HB LEU 63 -6.320 -19.685 -3.161 466 HG LEU 63 HG LEU 63 -3.909 -19.062 -3.492 467 HD11 LEU 63 1HD1 LEU 63 -4.270 -18.054 -0.832 468 HD12 LEU 63 2HD1 LEU 63 -2.893 -17.876 -1.920 469 HD13 LEU 63 3HD1 LEU 63 -2.997 -19.275 -0.851 470 HD21 LEU 63 3HD2 LEU 63 -3.385 -21.196 -3.083 471 HD22 LEU 63 1HD2 LEU 63 -5.050 -21.359 -2.524 472 HD23 LEU 63 2HD2 LEU 63 -3.757 -21.053 -1.364 473 H GLN 64 H GLN 64 -8.351 -17.807 -4.188 474 HA GLN 64 HA GLN 64 -7.317 -18.306 -6.780 475 HB2 GLN 64 2HB GLN 64 -9.561 -18.308 -7.523 476 HB3 GLN 64 3HB GLN 64 -9.605 -18.956 -5.888 477 HG2 GLN 64 2HG GLN 64 -10.327 -16.788 -5.040 478 HG3 GLN 64 3HG GLN 64 -10.272 -16.129 -6.674 479 HE21 GLN 64 1HE2 GLN 64 -12.532 -16.226 -4.924 480 HE22 GLN 64 2HE2 GLN 64 -13.740 -17.184 -5.703 481 H LEU 65 H LEU 65 -7.345 -15.515 -5.010 482 HA LEU 65 HA LEU 65 -7.587 -13.791 -7.379 483 HB2 LEU 65 2HB LEU 65 -7.441 -12.849 -4.534 484 HB3 LEU 65 3HB LEU 65 -8.034 -11.979 -5.947 485 HG LEU 65 HG LEU 65 -9.422 -14.378 -4.763 486 HD11 LEU 65 1HD1 LEU 65 -10.199 -13.099 -3.132 487 HD12 LEU 65 2HD1 LEU 65 -10.872 -11.989 -4.326 488 HD13 LEU 65 3HD1 LEU 65 -9.236 -11.741 -3.716 489 HD21 LEU 65 3HD2 LEU 65 -10.944 -12.396 -6.269 490 HD22 LEU 65 1HD2 LEU 65 -10.934 -14.155 -6.393 491 HD23 LEU 65 2HD2 LEU 65 -9.702 -13.206 -7.225 492 H PHE 66 H PHE 66 -5.255 -15.490 -6.474 493 HA PHE 66 HA PHE 66 -3.202 -13.796 -5.533 494 HB2 PHE 66 2HB PHE 66 -3.020 -16.224 -5.388 495 HB3 PHE 66 3HB PHE 66 -3.029 -16.350 -7.144 496 HD1 PHE 66 HD1 PHE 66 -1.089 -15.124 -4.251 497 HD2 PHE 66 HD2 PHE 66 -1.052 -16.094 -8.395 498 HE1 PHE 66 HE1 PHE 66 1.364 -14.937 -4.269 499 HE2 PHE 66 HE2 PHE 66 1.401 -15.909 -8.420 500 HZ PHE 66 HZ PHE 66 2.613 -15.330 -6.356 501 H LEU 67 H LEU 67 -4.560 -14.332 -8.677 502 HA LEU 67 HA LEU 67 -2.352 -13.084 -10.075 503 HB2 LEU 67 2HB LEU 67 -5.014 -14.182 -10.914 504 HB3 LEU 67 3HB LEU 67 -4.012 -13.252 -12.026 505 HG LEU 67 HG LEU 67 -3.148 -15.807 -10.675 506 HD11 LEU 67 1HD1 LEU 67 -5.004 -15.529 -12.718 507 HD12 LEU 67 2HD1 LEU 67 -4.113 -16.989 -12.290 508 HD13 LEU 67 3HD1 LEU 67 -3.493 -15.913 -13.543 509 HD21 LEU 67 3HD2 LEU 67 -1.555 -15.561 -12.799 510 HD22 LEU 67 1HD2 LEU 67 -1.156 -14.871 -11.226 511 HD23 LEU 67 2HD2 LEU 67 -1.855 -13.851 -12.484 512 H LYS 68 H LYS 68 -4.625 -11.876 -8.131 513 HA LYS 68 HA LYS 68 -5.319 -9.565 -9.781 514 HB2 LYS 68 2HB LYS 68 -6.169 -10.028 -6.930 515 HB3 LYS 68 3HB LYS 68 -6.942 -9.022 -8.148 516 HG2 LYS 68 2HG LYS 68 -6.800 -12.030 -8.209 517 HG3 LYS 68 3HG LYS 68 -8.196 -11.077 -7.701 518 HD2 LYS 68 2HD LYS 68 -7.090 -10.398 -10.346 519 HD3 LYS 68 3HD LYS 68 -7.819 -12.000 -10.216 520 HE2 LYS 68 2HE LYS 68 -9.127 -9.371 -9.527 521 HE3 LYS 68 3HE LYS 68 -9.470 -10.372 -10.937 522 HZ1 LYS 68 3HZ LYS 68 -10.348 -10.678 -8.196 523 HZ2 LYS 68 1HZ LYS 68 -9.852 -12.112 -8.943 524 HZ3 LYS 68 2HZ LYS 68 -11.085 -11.182 -9.633 525 H ASN 69 H ASN 69 -3.068 -10.526 -7.410 526 HA ASN 69 HA ASN 69 -2.570 -7.875 -6.376 527 HB2 ASN 69 2HB ASN 69 -2.209 -9.674 -4.846 528 HB3 ASN 69 3HB ASN 69 -1.183 -10.529 -5.993 529 HD21 ASN 69 1HD2 ASN 69 -1.287 -7.196 -4.779 530 HD22 ASN 69 2HD2 ASN 69 0.366 -7.146 -4.280 531 H PHE 70 H PHE 70 -1.457 -9.845 -8.975 532 HA PHE 70 HA PHE 70 0.811 -8.035 -9.448 533 HB2 PHE 70 2HB PHE 70 0.255 -10.739 -10.688 534 HB3 PHE 70 3HB PHE 70 1.703 -9.765 -10.922 535 HD1 PHE 70 HD2 PHE 70 -0.227 -11.686 -8.426 536 HD2 PHE 70 HD1 PHE 70 3.490 -9.853 -9.397 537 HE1 PHE 70 HE2 PHE 70 0.816 -12.783 -6.487 538 HE2 PHE 70 HE1 PHE 70 4.540 -10.948 -7.459 539 HZ PHE 70 HZ PHE 70 3.203 -12.415 -6.001 540 H SER 71 H SER 71 -1.790 -9.721 -11.203 541 HA SER 71 HA SER 71 -1.689 -7.587 -13.231 542 HB2 SER 71 2HB SER 71 -1.385 -10.188 -13.742 543 HB3 SER 71 3HB SER 71 -3.148 -10.132 -13.762 544 HG SER 71 HG SER 71 -2.193 -9.733 -15.829 545 H SER 72 H SER 72 -3.770 -6.976 -14.203 546 HA SER 72 HA SER 72 -5.971 -7.150 -12.250 547 HB2 SER 72 2HB SER 72 -4.991 -4.894 -12.316 548 HB3 SER 72 3HB SER 72 -5.274 -4.819 -14.055 549 HG SER 72 HG SER 72 -7.459 -4.807 -13.692 550 H SER 73 H SER 73 -5.269 -8.722 -14.740 551 HA SER 73 HA SER 73 -7.800 -8.268 -16.182 552 HB2 SER 73 2HB SER 73 -5.725 -7.790 -17.519 553 HB3 SER 73 3HB SER 73 -5.287 -9.489 -17.343 554 HG SER 73 HG SER 73 -7.109 -10.058 -18.496 555 H ALA 74 H ALA 74 -5.591 -10.593 -14.782 556 HA ALA 74 HA ALA 74 -6.956 -12.933 -15.630 557 HB1 ALA 74 1HB ALA 74 -4.872 -13.521 -14.975 558 HB2 ALA 74 2HB ALA 74 -4.803 -12.295 -13.708 559 HB3 ALA 74 3HB ALA 74 -5.690 -13.795 -13.437 560 H ARG 75 H ARG 75 -9.007 -13.334 -15.112 561 HA ARG 75 HA ARG 75 -10.538 -12.228 -13.138 562 HB2 ARG 75 2HB ARG 75 -11.713 -14.633 -13.254 563 HB3 ARG 75 3HB ARG 75 -11.862 -13.438 -14.535 564 HG2 ARG 75 2HG ARG 75 -10.562 -14.613 -15.977 565 HG3 ARG 75 3HG ARG 75 -9.583 -15.321 -14.691 566 HD2 ARG 75 2HD ARG 75 -10.782 -17.183 -14.838 567 HD3 ARG 75 3HD ARG 75 -12.211 -16.279 -14.342 568 HE ARG 75 HE ARG 75 -11.555 -17.171 -16.997 569 HH11 ARG 75 1HH1 ARG 75 -13.366 -14.877 -15.104 570 HH12 ARG 75 2HH1 ARG 75 -14.541 -14.585 -16.343 571 HH21 ARG 75 1HH2 ARG 75 -13.097 -16.795 -18.636 572 HH22 ARG 75 2HH2 ARG 75 -14.388 -15.677 -18.351 573 H VAL 76 H VAL 76 -9.581 -15.633 -12.825 574 HA VAL 76 HA VAL 76 -8.458 -15.208 -10.200 575 HB VAL 76 HB VAL 76 -10.073 -16.980 -9.229 576 HG11 VAL 76 1HG1 VAL 76 -9.875 -14.422 -8.785 577 HG12 VAL 76 2HG1 VAL 76 -11.402 -14.341 -9.665 578 HG13 VAL 76 3HG1 VAL 76 -11.280 -15.308 -8.194 579 HG21 VAL 76 3HG2 VAL 76 -11.915 -15.823 -11.310 580 HG22 VAL 76 1HG2 VAL 76 -11.128 -17.392 -11.483 581 HG23 VAL 76 2HG2 VAL 76 -12.253 -17.112 -10.154 582 H LEU 77 H LEU 77 -7.577 -17.192 -9.271 583 HA LEU 77 HA LEU 77 -6.079 -18.684 -11.037 584 HB2 LEU 77 2HB LEU 77 -7.037 -19.517 -8.302 585 HB3 LEU 77 3HB LEU 77 -5.696 -20.245 -9.184 586 HG LEU 77 HG LEU 77 -5.841 -17.571 -7.840 587 HD11 LEU 77 1HD1 LEU 77 -3.513 -18.448 -7.139 588 HD12 LEU 77 2HD1 LEU 77 -4.115 -20.010 -7.693 589 HD13 LEU 77 3HD1 LEU 77 -4.952 -19.151 -6.400 590 HD21 LEU 77 3HD2 LEU 77 -3.897 -18.408 -9.989 591 HD22 LEU 77 1HD2 LEU 77 -3.689 -17.016 -8.925 592 HD23 LEU 77 2HD2 LEU 77 -5.040 -17.066 -10.057 593 H THR 78 H THR 78 -6.157 -21.130 -11.253 594 HA THR 78 HA THR 78 -8.925 -22.032 -11.707 595 HB THR 78 HB THR 78 -7.688 -21.411 -13.831 596 HG1 THR 78 HG1 THR 78 -8.333 -23.476 -14.834 597 HG21 THR 78 3HG2 THR 78 -5.521 -22.485 -12.921 598 HG22 THR 78 1HG2 THR 78 -5.916 -22.705 -14.625 599 HG23 THR 78 2HG2 THR 78 -6.223 -24.005 -13.474 600 H SER 79 H SER 79 -8.497 -24.586 -12.499 601 HA SER 79 HA SER 79 -7.789 -25.859 -10.031 602 HB2 SER 79 2HB SER 79 -8.402 -27.953 -11.216 603 HB3 SER 79 3HB SER 79 -9.653 -26.716 -11.345 604 HG SER 79 HG SER 79 -8.779 -27.972 -13.323 605 H ALA 80 H ALA 80 -5.525 -24.735 -10.497 606 HA ALA 80 HA ALA 80 -3.664 -26.832 -10.797 607 HB1 ALA 80 1HB ALA 80 -2.952 -25.014 -12.940 608 HB2 ALA 80 2HB ALA 80 -3.026 -26.776 -12.930 609 HB3 ALA 80 3HB ALA 80 -4.484 -25.835 -13.244 610 H GLU 81 H GLU 81 -4.048 -23.321 -11.234 611 HA GLU 81 HA GLU 81 -1.462 -22.703 -10.200 612 HB2 GLU 81 2HB GLU 81 -3.862 -20.883 -10.454 613 HB3 GLU 81 3HB GLU 81 -2.184 -20.387 -10.281 614 HG2 GLU 81 2HG GLU 81 -1.694 -21.490 -12.450 615 HG3 GLU 81 3HG GLU 81 -3.420 -21.803 -12.629 616 H THR 82 H THR 82 -4.751 -22.436 -8.871 617 HA THR 82 HA THR 82 -4.007 -21.461 -6.344 618 HB THR 82 HB THR 82 -6.363 -23.193 -6.295 619 HG1 THR 82 HG1 THR 82 -7.399 -22.397 -7.990 620 HG21 THR 82 3HG2 THR 82 -6.633 -20.269 -6.108 621 HG22 THR 82 1HG2 THR 82 -5.505 -20.988 -4.959 622 HG23 THR 82 2HG2 THR 82 -7.183 -21.531 -5.006 623 H LYS 83 H LYS 83 -4.292 -24.732 -7.608 624 HA LYS 83 HA LYS 83 -3.986 -26.034 -5.088 625 HB2 LYS 83 2HB LYS 83 -3.509 -27.102 -7.877 626 HB3 LYS 83 3HB LYS 83 -3.662 -28.072 -6.418 627 HG2 LYS 83 2HG LYS 83 -5.866 -26.234 -7.257 628 HG3 LYS 83 3HG LYS 83 -5.691 -27.830 -7.989 629 HD2 LYS 83 2HD LYS 83 -5.776 -28.844 -5.747 630 HD3 LYS 83 3HD LYS 83 -6.004 -27.240 -5.044 631 HE2 LYS 83 2HE LYS 83 -8.174 -28.014 -5.182 632 HE3 LYS 83 3HE LYS 83 -8.018 -27.103 -6.683 633 HZ1 LYS 83 3HZ LYS 83 -7.734 -29.086 -7.908 634 HZ2 LYS 83 1HZ LYS 83 -9.058 -29.353 -6.890 635 HZ3 LYS 83 2HZ LYS 83 -7.553 -30.025 -6.512 636 H ALA 84 H ALA 84 -1.779 -25.364 -7.792 637 HA ALA 84 HA ALA 84 0.496 -26.545 -6.580 638 HB1 ALA 84 1HB ALA 84 0.678 -24.346 -8.605 639 HB2 ALA 84 2HB ALA 84 1.711 -25.762 -8.398 640 HB3 ALA 84 3HB ALA 84 0.085 -25.945 -9.055 641 H PHE 85 H PHE 85 -1.180 -23.724 -5.865 642 HA PHE 85 HA PHE 85 1.186 -22.408 -4.732 643 HB2 PHE 85 2HB PHE 85 -0.366 -21.100 -6.222 644 HB3 PHE 85 3HB PHE 85 -1.607 -21.284 -4.988 645 HD1 PHE 85 HD1 PHE 85 1.778 -19.911 -5.602 646 HD2 PHE 85 HD2 PHE 85 -1.713 -19.824 -3.169 647 HE1 PHE 85 HE1 PHE 85 2.633 -17.910 -4.454 648 HE2 PHE 85 HE2 PHE 85 -0.865 -17.822 -2.018 649 HZ PHE 85 HZ PHE 85 1.310 -16.862 -2.660 650 H LEU 86 H LEU 86 -2.107 -23.420 -3.874 651 HA LEU 86 HA LEU 86 -1.881 -22.773 -1.124 652 HB2 LEU 86 2HB LEU 86 -3.970 -23.260 -2.609 653 HB3 LEU 86 3HB LEU 86 -3.688 -24.932 -2.127 654 HG LEU 86 HG LEU 86 -3.878 -22.860 0.003 655 HD11 LEU 86 1HD1 LEU 86 -6.456 -24.005 -0.564 656 HD12 LEU 86 2HD1 LEU 86 -5.868 -23.073 -1.941 657 HD13 LEU 86 3HD1 LEU 86 -5.998 -22.315 -0.354 658 HD21 LEU 86 3HD2 LEU 86 -4.237 -24.625 1.348 659 HD22 LEU 86 1HD2 LEU 86 -3.518 -25.543 0.025 660 HD23 LEU 86 2HD2 LEU 86 -5.272 -25.442 0.176 661 H ALA 87 H ALA 87 -1.764 -25.912 -2.813 662 HA ALA 87 HA ALA 87 -1.057 -27.415 -0.530 663 HB1 ALA 87 1HB ALA 87 -0.469 -29.189 -2.124 664 HB2 ALA 87 2HB ALA 87 -2.033 -28.460 -2.490 665 HB3 ALA 87 3HB ALA 87 -0.616 -28.033 -3.449 666 H ALA 88 H ALA 88 0.731 -25.238 -2.404 667 HA ALA 88 HA ALA 88 3.298 -26.464 -1.708 668 HB1 ALA 88 1HB ALA 88 4.295 -24.833 -3.212 669 HB2 ALA 88 2HB ALA 88 2.996 -25.712 -4.020 670 HB3 ALA 88 3HB ALA 88 2.724 -24.067 -3.446 671 H GLY 89 H GLY 89 1.231 -23.779 -0.916 672 HA2 GLY 89 2HA GLY 89 3.333 -22.504 0.675 673 HA3 GLY 89 3HA GLY 89 1.745 -21.834 0.329 674 H ASP 90 H ASP 90 -0.049 -23.512 1.202 675 HA ASP 90 HA ASP 90 -0.127 -23.226 3.943 676 HB2 ASP 90 2HB ASP 90 -2.182 -23.692 2.926 677 HB3 ASP 90 3HB ASP 90 -1.546 -25.089 2.062 678 H THR 91 H THR 91 1.116 -24.056 5.472 679 HA THR 91 HA THR 91 2.178 -26.782 5.103 680 HB THR 91 HB THR 91 4.038 -26.071 6.644 681 HG1 THR 91 HG1 THR 91 4.153 -24.034 7.301 682 HG21 THR 91 3HG2 THR 91 4.974 -24.405 4.768 683 HG22 THR 91 1HG2 THR 91 3.609 -25.083 3.883 684 HG23 THR 91 2HG2 THR 91 4.861 -26.147 4.524 685 H ASP 92 H ASP 92 0.643 -24.512 7.265 686 HA ASP 92 HA ASP 92 0.853 -25.825 9.695 687 HB2 ASP 92 2HB ASP 92 -1.252 -24.685 10.312 688 HB3 ASP 92 3HB ASP 92 -0.122 -23.602 9.503 689 H GLY 93 H GLY 93 -1.066 -26.618 6.905 690 HA2 GLY 93 2HA GLY 93 -1.579 -29.092 6.880 691 HA3 GLY 93 3HA GLY 93 -2.348 -28.796 8.433 692 H ASP 94 H ASP 94 -4.188 -27.293 8.453 693 HA ASP 94 HA ASP 94 -6.184 -28.007 6.694 694 HB2 ASP 94 2HB ASP 94 -6.367 -26.776 8.938 695 HB3 ASP 94 3HB ASP 94 -6.112 -25.299 8.013 696 H GLY 95 H GLY 95 -7.306 -26.800 5.037 697 HA2 GLY 95 2HA GLY 95 -5.519 -25.764 3.075 698 HA3 GLY 95 3HA GLY 95 -7.272 -25.819 2.955 699 H LYS 96 H LYS 96 -4.527 -23.950 4.082 700 HA LYS 96 HA LYS 96 -5.743 -21.485 3.455 701 HB2 LYS 96 2HB LYS 96 -5.717 -20.637 5.897 702 HB3 LYS 96 3HB LYS 96 -7.095 -21.585 5.353 703 HG2 LYS 96 2HG LYS 96 -6.366 -23.500 6.511 704 HG3 LYS 96 3HG LYS 96 -4.759 -22.820 6.779 705 HD2 LYS 96 2HD LYS 96 -5.720 -21.119 8.249 706 HD3 LYS 96 3HD LYS 96 -7.333 -21.781 7.969 707 HE2 LYS 96 2HE LYS 96 -6.866 -23.733 9.157 708 HE3 LYS 96 3HE LYS 96 -5.123 -23.502 9.036 709 HZ1 LYS 96 3HZ LYS 96 -5.102 -22.040 10.758 710 HZ2 LYS 96 1HZ LYS 96 -6.430 -22.972 11.236 711 HZ3 LYS 96 2HZ LYS 96 -6.674 -21.482 10.475 712 H ILE 97 H ILE 97 -4.297 -19.760 3.576 713 HA ILE 97 HA ILE 97 -1.605 -20.406 4.579 714 HB ILE 97 HB ILE 97 -2.310 -19.089 1.958 715 HG12 ILE 97 2HG1 ILE 97 -0.677 -21.549 2.622 716 HG13 ILE 97 3HG1 ILE 97 -2.308 -21.549 1.960 717 HG21 ILE 97 1HG2 ILE 97 0.154 -18.847 1.661 718 HG22 ILE 97 2HG2 ILE 97 -0.530 -17.807 2.910 719 HG23 ILE 97 3HG2 ILE 97 0.348 -19.268 3.363 720 HD11 ILE 97 3HD1 ILE 97 0.171 -20.510 0.610 721 HD12 ILE 97 1HD1 ILE 97 -0.701 -21.992 0.223 722 HD13 ILE 97 2HD1 ILE 97 -1.461 -20.424 -0.053 723 H GLY 98 H GLY 98 -0.906 -18.985 6.026 724 HA2 GLY 98 2HA GLY 98 -2.217 -16.354 6.150 725 HA3 GLY 98 3HA GLY 98 -1.381 -17.141 7.480 726 H VAL 99 H VAL 99 0.582 -16.414 7.948 727 HA VAL 99 HA VAL 99 2.023 -14.887 5.879 728 HB VAL 99 HB VAL 99 3.170 -14.201 8.310 729 HG11 VAL 99 1HG1 VAL 99 2.545 -12.053 7.751 730 HG12 VAL 99 2HG1 VAL 99 2.425 -12.872 6.192 731 HG13 VAL 99 3HG1 VAL 99 0.970 -12.557 7.139 732 HG21 VAL 99 3HG2 VAL 99 1.267 -13.478 9.699 733 HG22 VAL 99 1HG2 VAL 99 0.170 -14.317 8.602 734 HG23 VAL 99 2HG2 VAL 99 1.350 -15.232 9.539 735 H GLU 100 H GLU 100 2.624 -16.813 8.824 736 HA GLU 100 HA GLU 100 5.334 -17.291 8.371 737 HB2 GLU 100 2HB GLU 100 3.283 -18.262 10.158 738 HB3 GLU 100 3HB GLU 100 4.334 -19.578 9.653 739 HG2 GLU 100 2HG GLU 100 6.257 -17.973 10.270 740 HG3 GLU 100 3HG GLU 100 5.019 -17.095 11.165 741 H GLU 101 H GLU 101 2.493 -18.835 7.060 742 HA GLU 101 HA GLU 101 4.027 -21.007 5.890 743 HB2 GLU 101 2HB GLU 101 1.163 -20.447 5.217 744 HB3 GLU 101 3HB GLU 101 1.998 -21.991 5.327 745 HG2 GLU 101 2HG GLU 101 1.211 -20.228 7.636 746 HG3 GLU 101 3HG GLU 101 0.421 -21.726 7.145 747 H PHE 102 H PHE 102 2.947 -17.867 5.047 748 HA PHE 102 HA PHE 102 2.865 -18.225 2.217 749 HB2 PHE 102 2HB PHE 102 1.668 -16.389 3.342 750 HB3 PHE 102 3HB PHE 102 3.208 -15.691 3.833 751 HD1 PHE 102 HD1 PHE 102 1.032 -16.427 0.956 752 HD2 PHE 102 HD2 PHE 102 4.506 -14.391 2.335 753 HE1 PHE 102 HE1 PHE 102 1.122 -15.159 -1.151 754 HE2 PHE 102 HE2 PHE 102 4.600 -13.119 0.232 755 HZ PHE 102 HZ PHE 102 2.906 -13.502 -1.515 756 H GLN 103 H GLN 103 5.202 -16.544 4.325 757 HA GLN 103 HA GLN 103 7.134 -16.153 2.316 758 HB2 GLN 103 2HB GLN 103 8.693 -15.722 4.206 759 HB3 GLN 103 3HB GLN 103 7.187 -14.821 4.323 760 HG2 GLN 103 2HG GLN 103 6.352 -16.284 6.004 761 HG3 GLN 103 3HG GLN 103 7.694 -17.403 5.774 762 HE21 GLN 103 1HE2 GLN 103 6.711 -14.328 7.069 763 HE22 GLN 103 2HE2 GLN 103 8.102 -14.074 8.062 764 H SER 104 H SER 104 6.226 -18.939 4.045 765 HA SER 104 HA SER 104 8.741 -20.296 3.985 766 HB2 SER 104 2HB SER 104 6.956 -20.885 5.593 767 HB3 SER 104 3HB SER 104 5.950 -21.441 4.255 768 HG SER 104 HG SER 104 8.034 -22.687 5.511 769 H LEU 105 H LEU 105 6.564 -19.469 1.593 770 HA LEU 105 HA LEU 105 7.388 -21.722 -0.114 771 HB2 LEU 105 2HB LEU 105 5.041 -21.700 -0.001 772 HB3 LEU 105 3HB LEU 105 4.970 -19.945 -0.154 773 HG LEU 105 HG LEU 105 6.073 -21.483 -2.443 774 HD11 LEU 105 1HD1 LEU 105 4.245 -22.873 -2.177 775 HD12 LEU 105 2HD1 LEU 105 3.614 -21.618 -3.243 776 HD13 LEU 105 3HD1 LEU 105 3.230 -21.587 -1.522 777 HD21 LEU 105 3HD2 LEU 105 5.556 -18.869 -2.015 778 HD22 LEU 105 1HD2 LEU 105 4.041 -19.377 -2.761 779 HD23 LEU 105 2HD2 LEU 105 5.567 -19.624 -3.610 780 H VAL 106 H VAL 106 7.024 -18.213 0.036 781 HA VAL 106 HA VAL 106 7.904 -17.594 -2.548 782 HB VAL 106 HB VAL 106 8.367 -15.925 -0.074 783 HG11 VAL 106 1HG1 VAL 106 9.403 -14.622 -1.571 784 HG12 VAL 106 2HG1 VAL 106 8.723 -15.497 -2.944 785 HG13 VAL 106 3HG1 VAL 106 7.780 -14.238 -2.145 786 HG21 VAL 106 3HG2 VAL 106 6.121 -14.940 -1.325 787 HG22 VAL 106 1HG2 VAL 106 5.908 -16.687 -1.433 788 HG23 VAL 106 2HG2 VAL 106 6.142 -15.923 0.139 789 H LYS 107 H LYS 107 9.729 -17.874 0.489 790 HA LYS 107 HA LYS 107 12.246 -17.200 -0.531 791 HB2 LYS 107 2HB LYS 107 11.352 -18.854 1.814 792 HB3 LYS 107 3HB LYS 107 13.060 -18.683 1.432 793 HG2 LYS 107 2HG LYS 107 11.504 -16.182 1.579 794 HG3 LYS 107 3HG LYS 107 11.743 -17.052 3.096 795 HD2 LYS 107 2HD LYS 107 13.557 -15.547 2.914 796 HD3 LYS 107 3HD LYS 107 14.203 -17.138 2.505 797 HE2 LYS 107 2HE LYS 107 14.040 -16.617 0.137 798 HE3 LYS 107 3HE LYS 107 13.316 -15.054 0.511 799 HZ1 LYS 107 3HZ LYS 107 15.493 -14.479 0.207 800 HZ2 LYS 107 1HZ LYS 107 16.098 -15.934 0.821 801 HZ3 LYS 107 2HZ LYS 107 15.498 -14.756 1.876 802 H ALA 108 H ALA 108 10.347 -20.015 -0.967 803 HA ALA 108 HA ALA 108 12.608 -21.684 -1.721 804 HB1 ALA 108 1HB ALA 108 10.474 -22.457 -0.481 805 HB2 ALA 108 2HB ALA 108 9.743 -22.466 -2.086 806 HB3 ALA 108 3HB ALA 108 11.145 -23.481 -1.751 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -0.960 -0.781 -1.075 2 HA ALA 1 HA ALA 1 0.696 -0.276 -3.379 3 HB1 ALA 1 1HB ALA 1 0.293 1.490 -1.752 4 HB2 ALA 1 2HB ALA 1 1.068 0.524 -0.495 5 HB3 ALA 1 3HB ALA 1 2.014 1.118 -1.860 6 H ILE 2 H ILE 2 1.875 -1.975 -4.057 7 HA ILE 2 HA ILE 2 3.415 -3.487 -2.056 8 HB ILE 2 HB ILE 2 1.971 -4.897 -3.404 9 HG12 ILE 2 2HG1 ILE 2 3.669 -6.443 -4.308 10 HG13 ILE 2 3HG1 ILE 2 4.877 -5.166 -4.208 11 HG21 ILE 2 1HG2 ILE 2 1.555 -4.494 -5.546 12 HG22 ILE 2 2HG2 ILE 2 2.653 -3.117 -5.469 13 HG23 ILE 2 3HG2 ILE 2 3.258 -4.701 -5.953 14 HD11 ILE 2 3HD1 ILE 2 4.624 -5.117 -1.784 15 HD12 ILE 2 1HD1 ILE 2 3.411 -6.392 -1.884 16 HD13 ILE 2 2HD1 ILE 2 5.078 -6.721 -2.357 17 H THR 3 H THR 3 3.646 -1.456 -4.863 18 HA THR 3 HA THR 3 6.215 -1.992 -5.756 19 HB THR 3 HB THR 3 6.277 0.321 -6.596 20 HG1 THR 3 HG1 THR 3 3.832 0.649 -5.163 21 HG21 THR 3 3HG2 THR 3 3.545 -0.066 -7.303 22 HG22 THR 3 1HG2 THR 3 4.315 -1.647 -7.176 23 HG23 THR 3 2HG2 THR 3 4.988 -0.422 -8.252 24 H ASP 4 H ASP 4 5.165 -0.382 -2.871 25 HA ASP 4 HA ASP 4 7.452 1.110 -2.258 26 HB2 ASP 4 2HB ASP 4 5.259 -0.110 -0.618 27 HB3 ASP 4 3HB ASP 4 6.644 0.625 0.186 28 H ILE 5 H ILE 5 6.940 -2.273 -2.291 29 HA ILE 5 HA ILE 5 9.490 -2.686 -0.870 30 HB ILE 5 HB ILE 5 7.557 -4.933 -1.137 31 HG12 ILE 5 2HG1 ILE 5 7.285 -2.696 0.882 32 HG13 ILE 5 3HG1 ILE 5 6.120 -3.123 -0.366 33 HG21 ILE 5 1HG2 ILE 5 9.845 -5.169 -0.176 34 HG22 ILE 5 2HG2 ILE 5 9.350 -4.101 1.136 35 HG23 ILE 5 3HG2 ILE 5 8.551 -5.658 0.917 36 HD11 ILE 5 3HD1 ILE 5 6.830 -4.628 2.123 37 HD12 ILE 5 1HD1 ILE 5 5.257 -4.023 1.604 38 HD13 ILE 5 2HD1 ILE 5 5.992 -5.395 0.775 39 H LEU 6 H LEU 6 7.380 -3.963 -3.429 40 HA LEU 6 HA LEU 6 9.672 -5.325 -4.632 41 HB2 LEU 6 2HB LEU 6 6.760 -5.655 -4.694 42 HB3 LEU 6 3HB LEU 6 7.550 -5.870 -6.255 43 HG LEU 6 HG LEU 6 8.858 -7.687 -5.426 44 HD11 LEU 6 1HD1 LEU 6 8.254 -6.496 -2.857 45 HD12 LEU 6 2HD1 LEU 6 9.550 -7.602 -3.315 46 HD13 LEU 6 3HD1 LEU 6 7.968 -8.237 -2.862 47 HD21 LEU 6 3HD2 LEU 6 6.079 -8.059 -4.326 48 HD22 LEU 6 1HD2 LEU 6 7.167 -9.296 -4.956 49 HD23 LEU 6 2HD2 LEU 6 6.466 -8.101 -6.047 50 H SER 7 H SER 7 9.346 -5.323 -7.215 51 HA SER 7 HA SER 7 9.237 -2.484 -8.002 52 HB2 SER 7 2HB SER 7 11.230 -4.601 -8.539 53 HB3 SER 7 3HB SER 7 10.807 -3.590 -9.921 54 HG SER 7 HG SER 7 12.381 -3.005 -7.841 55 H ALA 8 H ALA 8 7.694 -1.993 -9.402 56 HA ALA 8 HA ALA 8 5.886 -3.814 -10.478 57 HB1 ALA 8 1HB ALA 8 4.793 -1.985 -11.138 58 HB2 ALA 8 2HB ALA 8 6.085 -1.071 -10.358 59 HB3 ALA 8 3HB ALA 8 6.162 -1.406 -12.088 60 H LYS 9 H LYS 9 8.961 -2.716 -11.680 61 HA LYS 9 HA LYS 9 8.568 -3.639 -14.367 62 HB2 LYS 9 2HB LYS 9 10.287 -1.886 -13.304 63 HB3 LYS 9 3HB LYS 9 11.311 -3.316 -13.265 64 HG2 LYS 9 2HG LYS 9 11.827 -2.332 -15.298 65 HG3 LYS 9 3HG LYS 9 10.670 -3.591 -15.737 66 HD2 LYS 9 2HD LYS 9 9.886 -1.763 -16.923 67 HD3 LYS 9 3HD LYS 9 8.905 -1.707 -15.457 68 HE2 LYS 9 2HE LYS 9 11.480 -0.227 -15.466 69 HE3 LYS 9 3HE LYS 9 10.148 0.436 -16.411 70 HZ1 LYS 9 3HZ LYS 9 9.509 1.351 -14.497 71 HZ2 LYS 9 1HZ LYS 9 10.508 0.355 -13.563 72 HZ3 LYS 9 2HZ LYS 9 8.983 -0.193 -14.047 73 H ASP 10 H ASP 10 9.282 -5.141 -11.415 74 HA ASP 10 HA ASP 10 10.495 -7.461 -12.750 75 HB2 ASP 10 2HB ASP 10 11.219 -6.179 -10.419 76 HB3 ASP 10 3HB ASP 10 10.302 -7.562 -9.829 77 H ILE 11 H ILE 11 7.758 -6.421 -10.827 78 HA ILE 11 HA ILE 11 6.674 -8.939 -10.221 79 HB ILE 11 HB ILE 11 5.229 -6.322 -10.655 80 HG12 ILE 11 2HG1 ILE 11 5.835 -7.527 -7.982 81 HG13 ILE 11 3HG1 ILE 11 7.096 -6.638 -8.829 82 HG21 ILE 11 1HG2 ILE 11 4.341 -8.959 -9.536 83 HG22 ILE 11 2HG2 ILE 11 3.547 -7.449 -9.090 84 HG23 ILE 11 3HG2 ILE 11 3.572 -7.968 -10.775 85 HD11 ILE 11 3HD1 ILE 11 5.586 -5.416 -7.127 86 HD12 ILE 11 1HD1 ILE 11 5.978 -4.633 -8.658 87 HD13 ILE 11 2HD1 ILE 11 4.408 -5.407 -8.440 88 H GLU 12 H GLU 12 5.932 -6.709 -12.900 89 HA GLU 12 HA GLU 12 4.110 -8.476 -14.172 90 HB2 GLU 12 2HB GLU 12 5.657 -6.164 -15.357 91 HB3 GLU 12 3HB GLU 12 4.250 -6.938 -16.073 92 HG2 GLU 12 2HG GLU 12 4.083 -5.717 -13.351 93 HG3 GLU 12 3HG GLU 12 3.964 -4.714 -14.796 94 H SER 13 H SER 13 7.543 -8.217 -14.149 95 HA SER 13 HA SER 13 7.907 -9.704 -16.609 96 HB2 SER 13 2HB SER 13 9.878 -8.754 -14.518 97 HB3 SER 13 3HB SER 13 10.331 -9.590 -16.003 98 HG SER 13 HG SER 13 9.162 -7.833 -17.099 99 H ALA 14 H ALA 14 6.859 -10.584 -13.684 100 HA ALA 14 HA ALA 14 8.097 -13.248 -13.883 101 HB1 ALA 14 1HB ALA 14 8.301 -13.443 -11.546 102 HB2 ALA 14 2HB ALA 14 8.937 -11.846 -11.942 103 HB3 ALA 14 3HB ALA 14 7.319 -12.006 -11.260 104 H LEU 15 H LEU 15 5.341 -11.564 -14.245 105 HA LEU 15 HA LEU 15 3.483 -13.261 -12.867 106 HB2 LEU 15 2HB LEU 15 3.360 -10.912 -14.633 107 HB3 LEU 15 3HB LEU 15 1.984 -12.007 -14.746 108 HG LEU 15 HG LEU 15 2.931 -10.850 -12.134 109 HD11 LEU 15 1HD1 LEU 15 1.864 -8.923 -12.490 110 HD12 LEU 15 2HD1 LEU 15 0.504 -9.717 -13.283 111 HD13 LEU 15 3HD1 LEU 15 1.959 -9.335 -14.202 112 HD21 LEU 15 3HD2 LEU 15 0.855 -12.693 -12.974 113 HD22 LEU 15 1HD2 LEU 15 0.208 -11.321 -12.074 114 HD23 LEU 15 2HD2 LEU 15 1.462 -12.333 -11.357 115 H SER 16 H SER 16 3.975 -12.654 -16.351 116 HA SER 16 HA SER 16 3.031 -15.393 -16.865 117 HB2 SER 16 2HB SER 16 2.464 -12.854 -18.115 118 HB3 SER 16 3HB SER 16 3.130 -13.980 -19.298 119 HG SER 16 HG SER 16 1.128 -14.657 -19.338 120 H SER 17 H SER 17 5.788 -14.460 -16.137 121 HA SER 17 HA SER 17 7.302 -15.006 -18.565 122 HB2 SER 17 2HB SER 17 8.814 -13.667 -17.599 123 HB3 SER 17 3HB SER 17 7.790 -13.543 -16.169 124 HG SER 17 HG SER 17 9.950 -14.397 -15.805 125 H CYS 18 H CYS 18 6.931 -16.358 -15.298 126 HA CYS 18 HA CYS 18 8.380 -18.756 -16.095 127 HB2 CYS 18 2HB CYS 18 7.115 -18.179 -13.415 128 HB3 CYS 18 3HB CYS 18 8.364 -19.364 -13.779 129 HG CYS 18 HG CYS 18 9.939 -17.643 -12.570 130 H GLN 19 H GLN 19 6.041 -18.450 -17.516 131 HA GLN 19 HA GLN 19 4.420 -20.659 -16.447 132 HB2 GLN 19 2HB GLN 19 2.394 -19.603 -17.293 133 HB3 GLN 19 3HB GLN 19 3.201 -18.547 -16.142 134 HG2 GLN 19 2HG GLN 19 2.599 -17.090 -17.818 135 HG3 GLN 19 3HG GLN 19 4.269 -17.473 -18.233 136 HE21 GLN 19 1HE2 GLN 19 0.968 -18.613 -18.850 137 HE22 GLN 19 2HE2 GLN 19 1.224 -18.983 -20.518 138 H ALA 20 H ALA 20 6.483 -19.785 -18.771 139 HA ALA 20 HA ALA 20 5.119 -20.759 -21.108 140 HB1 ALA 20 1HB ALA 20 7.283 -19.154 -20.731 141 HB2 ALA 20 2HB ALA 20 8.048 -20.675 -21.193 142 HB3 ALA 20 3HB ALA 20 6.856 -19.928 -22.258 143 H ALA 21 H ALA 21 6.505 -22.465 -22.437 144 HA ALA 21 HA ALA 21 6.428 -24.887 -20.844 145 HB1 ALA 21 1HB ALA 21 5.911 -25.919 -22.752 146 HB2 ALA 21 2HB ALA 21 5.766 -24.307 -23.454 147 HB3 ALA 21 3HB ALA 21 7.277 -25.203 -23.607 148 H ASP 22 H ASP 22 8.748 -22.625 -21.678 149 HA ASP 22 HA ASP 22 10.869 -24.250 -20.639 150 HB2 ASP 22 2HB ASP 22 10.663 -24.864 -23.126 151 HB3 ASP 22 3HB ASP 22 11.280 -23.246 -23.450 152 H SER 23 H SER 23 9.790 -21.933 -19.679 153 HA SER 23 HA SER 23 11.782 -19.870 -20.351 154 HB2 SER 23 2HB SER 23 9.482 -19.133 -20.720 155 HB3 SER 23 3HB SER 23 9.055 -19.572 -19.066 156 HG SER 23 HG SER 23 10.573 -17.992 -18.360 157 H PHE 24 H PHE 24 10.036 -21.341 -17.629 158 HA PHE 24 HA PHE 24 11.457 -20.069 -15.575 159 HB2 PHE 24 2HB PHE 24 9.395 -21.188 -15.066 160 HB3 PHE 24 3HB PHE 24 10.024 -22.727 -15.646 161 HD1 PHE 24 HD2 PHE 24 11.265 -20.128 -13.269 162 HD2 PHE 24 HD1 PHE 24 10.313 -24.222 -13.940 163 HE1 PHE 24 HE2 PHE 24 12.019 -20.674 -10.991 164 HE2 PHE 24 HE1 PHE 24 11.064 -24.774 -11.663 165 HZ PHE 24 HZ PHE 24 11.920 -22.999 -10.186 166 H ASN 25 H ASN 25 13.659 -20.072 -16.077 167 HA ASN 25 HA ASN 25 14.994 -22.649 -15.603 168 HB2 ASN 25 2HB ASN 25 16.566 -22.291 -17.327 169 HB3 ASN 25 3HB ASN 25 15.012 -21.883 -18.049 170 HD21 ASN 25 1HD2 ASN 25 14.423 -19.488 -17.706 171 HD22 ASN 25 2HD2 ASN 25 15.683 -18.361 -18.062 172 H TYR 26 H TYR 26 17.532 -22.030 -15.383 173 HA TYR 26 HA TYR 26 17.854 -20.894 -12.897 174 HB2 TYR 26 2HB TYR 26 20.290 -20.549 -13.651 175 HB3 TYR 26 3HB TYR 26 19.647 -22.188 -13.687 176 HD1 TYR 26 HD2 TYR 26 20.488 -19.263 -15.792 177 HD2 TYR 26 HD1 TYR 26 19.514 -23.404 -15.716 178 HE1 TYR 26 HE2 TYR 26 21.106 -19.446 -18.166 179 HE2 TYR 26 HE1 TYR 26 20.131 -23.599 -18.089 180 HH TYR 26 HH TYR 26 21.956 -21.716 -19.675 181 H LYS 27 H LYS 27 17.796 -19.335 -16.030 182 HA LYS 27 HA LYS 27 18.754 -16.803 -15.109 183 HB2 LYS 27 2HB LYS 27 17.460 -17.788 -17.629 184 HB3 LYS 27 3HB LYS 27 17.643 -16.061 -17.353 185 HG2 LYS 27 2HG LYS 27 20.145 -17.041 -16.781 186 HG3 LYS 27 3HG LYS 27 19.616 -18.050 -18.130 187 HD2 LYS 27 2HD LYS 27 19.210 -15.101 -18.295 188 HD3 LYS 27 3HD LYS 27 20.832 -15.751 -18.544 189 HE2 LYS 27 2HE LYS 27 20.006 -17.186 -20.322 190 HE3 LYS 27 3HE LYS 27 18.361 -16.617 -20.043 191 HZ1 LYS 27 3HZ LYS 27 18.737 -14.741 -21.177 192 HZ2 LYS 27 1HZ LYS 27 20.055 -15.567 -21.842 193 HZ3 LYS 27 2HZ LYS 27 20.285 -14.521 -20.533 194 H SER 28 H SER 28 15.539 -18.093 -15.905 195 HA SER 28 HA SER 28 14.013 -15.834 -15.481 196 HB2 SER 28 2HB SER 28 13.288 -18.181 -16.272 197 HB3 SER 28 3HB SER 28 13.091 -18.550 -14.559 198 HG SER 28 HG SER 28 11.903 -16.260 -15.692 199 H PHE 29 H PHE 29 15.077 -18.235 -13.094 200 HA PHE 29 HA PHE 29 13.767 -17.224 -10.862 201 HB2 PHE 29 2HB PHE 29 14.927 -19.380 -10.857 202 HB3 PHE 29 3HB PHE 29 16.478 -18.560 -10.998 203 HD1 PHE 29 HD1 PHE 29 17.289 -17.145 -9.111 204 HD2 PHE 29 HD2 PHE 29 13.877 -19.666 -8.770 205 HE1 PHE 29 HE1 PHE 29 17.449 -17.024 -6.659 206 HE2 PHE 29 HE2 PHE 29 14.031 -19.549 -6.317 207 HZ PHE 29 HZ PHE 29 15.818 -18.226 -5.259 208 H PHE 30 H PHE 30 16.560 -16.043 -12.542 209 HA PHE 30 HA PHE 30 17.386 -14.287 -10.399 210 HB2 PHE 30 2HB PHE 30 18.300 -14.484 -13.276 211 HB3 PHE 30 3HB PHE 30 19.037 -13.452 -12.056 212 HD1 PHE 30 HD2 PHE 30 18.887 -15.378 -9.739 213 HD2 PHE 30 HD1 PHE 30 20.111 -15.889 -13.784 214 HE1 PHE 30 HE2 PHE 30 20.353 -17.232 -9.058 215 HE2 PHE 30 HE1 PHE 30 21.578 -17.745 -13.109 216 HZ PHE 30 HZ PHE 30 21.702 -18.418 -10.743 217 H SER 31 H SER 31 15.570 -14.078 -13.395 218 HA SER 31 HA SER 31 15.314 -11.190 -13.173 219 HB2 SER 31 2HB SER 31 15.609 -12.200 -15.399 220 HB3 SER 31 3HB SER 31 14.116 -13.113 -15.183 221 HG SER 31 HG SER 31 12.969 -11.350 -15.518 222 H THR 32 H THR 32 14.035 -13.451 -11.412 223 HA THR 32 HA THR 32 11.238 -13.215 -11.680 224 HB THR 32 HB THR 32 12.556 -13.716 -9.028 225 HG1 THR 32 HG1 THR 32 12.520 -15.398 -11.314 226 HG21 THR 32 3HG2 THR 32 10.300 -13.913 -8.702 227 HG22 THR 32 1HG2 THR 32 10.656 -15.560 -9.221 228 HG23 THR 32 2HG2 THR 32 9.989 -14.398 -10.368 229 H VAL 33 H VAL 33 9.790 -12.227 -10.033 230 HA VAL 33 HA VAL 33 9.955 -9.495 -9.955 231 HB VAL 33 HB VAL 33 7.871 -10.510 -9.436 232 HG11 VAL 33 1HG1 VAL 33 7.858 -11.581 -6.956 233 HG12 VAL 33 2HG1 VAL 33 8.067 -12.520 -8.435 234 HG13 VAL 33 3HG1 VAL 33 9.476 -12.031 -7.493 235 HG21 VAL 33 3HG2 VAL 33 8.681 -8.363 -8.169 236 HG22 VAL 33 1HG2 VAL 33 7.146 -9.124 -7.751 237 HG23 VAL 33 2HG2 VAL 33 8.573 -9.409 -6.754 238 H GLY 34 H GLY 34 11.415 -11.801 -7.770 239 HA2 GLY 34 2HA GLY 34 13.448 -11.135 -6.623 240 HA3 GLY 34 3HA GLY 34 12.734 -9.546 -6.397 241 H LEU 35 H LEU 35 10.161 -11.260 -5.812 242 HA LEU 35 HA LEU 35 10.218 -10.962 -3.031 243 HB2 LEU 35 2HB LEU 35 8.346 -11.700 -4.981 244 HB3 LEU 35 3HB LEU 35 8.387 -13.033 -3.829 245 HG LEU 35 HG LEU 35 7.733 -10.146 -3.253 246 HD11 LEU 35 1HD1 LEU 35 6.156 -12.678 -3.446 247 HD12 LEU 35 2HD1 LEU 35 5.812 -11.088 -4.128 248 HD13 LEU 35 3HD1 LEU 35 5.614 -11.366 -2.398 249 HD21 LEU 35 3HD2 LEU 35 7.276 -11.011 -0.940 250 HD22 LEU 35 1HD2 LEU 35 8.980 -10.925 -1.386 251 HD23 LEU 35 2HD2 LEU 35 8.145 -12.478 -1.393 252 H SER 36 H SER 36 10.755 -13.814 -5.060 253 HA SER 36 HA SER 36 11.063 -15.630 -2.895 254 HB2 SER 36 2HB SER 36 10.505 -16.591 -4.988 255 HB3 SER 36 3HB SER 36 11.815 -15.747 -5.814 256 HG SER 36 HG SER 36 11.953 -18.143 -5.003 257 H SER 37 H SER 37 12.995 -13.131 -3.958 258 HA SER 37 HA SER 37 15.454 -14.413 -2.973 259 HB2 SER 37 2HB SER 37 14.993 -12.110 -4.861 260 HB3 SER 37 3HB SER 37 16.556 -12.370 -4.088 261 HG SER 37 HG SER 37 15.937 -13.412 -6.274 262 H LYS 38 H LYS 38 13.168 -11.880 -2.421 263 HA LYS 38 HA LYS 38 14.577 -10.082 -0.873 264 HB2 LYS 38 2HB LYS 38 11.729 -11.022 -0.813 265 HB3 LYS 38 3HB LYS 38 12.305 -9.879 0.393 266 HG2 LYS 38 2HG LYS 38 12.596 -9.406 -2.558 267 HG3 LYS 38 3HG LYS 38 11.177 -8.898 -1.639 268 HD2 LYS 38 2HD LYS 38 12.879 -7.747 -0.078 269 HD3 LYS 38 3HD LYS 38 14.013 -7.946 -1.415 270 HE2 LYS 38 2HE LYS 38 12.820 -6.524 -2.804 271 HE3 LYS 38 3HE LYS 38 11.324 -6.725 -1.893 272 HZ1 LYS 38 3HZ LYS 38 12.339 -5.463 -0.073 273 HZ2 LYS 38 1HZ LYS 38 12.253 -4.554 -1.497 274 HZ3 LYS 38 2HZ LYS 38 13.728 -5.222 -1.008 275 H THR 39 H THR 39 14.193 -9.807 1.581 276 HA THR 39 HA THR 39 15.308 -12.156 2.860 277 HB THR 39 HB THR 39 15.585 -9.396 3.260 278 HG1 THR 39 HG1 THR 39 17.229 -10.089 4.536 279 HG21 THR 39 3HG2 THR 39 14.996 -9.024 5.562 280 HG22 THR 39 1HG2 THR 39 14.417 -10.681 5.730 281 HG23 THR 39 2HG2 THR 39 13.550 -9.544 4.698 282 HA PRO 40 HA PRO 40 11.684 -13.622 4.859 283 HB2 PRO 40 2HB PRO 40 12.669 -14.439 7.253 284 HB3 PRO 40 3HB PRO 40 12.983 -15.300 5.742 285 HG2 PRO 40 2HG PRO 40 14.723 -13.358 7.212 286 HG3 PRO 40 3HG PRO 40 15.164 -14.890 6.435 287 HD2 PRO 40 2HD PRO 40 15.601 -12.486 5.269 288 HD3 PRO 40 3HD PRO 40 15.232 -13.948 4.332 289 H ASP 41 H ASP 41 11.017 -11.233 4.918 290 HA ASP 41 HA ASP 41 9.916 -10.664 7.445 291 HB2 ASP 41 2HB ASP 41 12.474 -9.951 7.550 292 HB3 ASP 41 3HB ASP 41 11.857 -8.512 6.743 293 H GLN 42 H GLN 42 10.884 -9.494 4.283 294 HA GLN 42 HA GLN 42 8.801 -7.478 4.236 295 HB2 GLN 42 2HB GLN 42 10.528 -8.339 1.922 296 HB3 GLN 42 3HB GLN 42 9.689 -6.808 2.135 297 HG2 GLN 42 2HG GLN 42 12.181 -7.791 3.462 298 HG3 GLN 42 3HG GLN 42 11.910 -6.297 2.566 299 HE21 GLN 42 1HE2 GLN 42 9.687 -5.287 3.715 300 HE22 GLN 42 2HE2 GLN 42 9.977 -4.922 5.378 301 H ILE 43 H ILE 43 9.352 -10.715 3.081 302 HA ILE 43 HA ILE 43 7.449 -10.898 1.061 303 HB ILE 43 HB ILE 43 8.180 -13.054 3.046 304 HG12 ILE 43 2HG1 ILE 43 9.376 -12.553 0.318 305 HG13 ILE 43 3HG1 ILE 43 10.097 -11.954 1.808 306 HG21 ILE 43 1HG2 ILE 43 7.678 -14.249 0.626 307 HG22 ILE 43 2HG2 ILE 43 6.567 -14.183 1.993 308 HG23 ILE 43 3HG2 ILE 43 6.449 -12.986 0.703 309 HD11 ILE 43 3HD1 ILE 43 10.914 -14.182 0.756 310 HD12 ILE 43 1HD1 ILE 43 10.719 -14.050 2.504 311 HD13 ILE 43 2HD1 ILE 43 9.483 -14.856 1.536 312 H LYS 44 H LYS 44 7.066 -11.564 4.538 313 HA LYS 44 HA LYS 44 4.384 -12.283 4.523 314 HB2 LYS 44 2HB LYS 44 4.399 -11.378 6.912 315 HB3 LYS 44 3HB LYS 44 5.568 -12.635 6.528 316 HG2 LYS 44 2HG LYS 44 7.351 -11.232 6.717 317 HG3 LYS 44 3HG LYS 44 6.424 -9.808 6.238 318 HD2 LYS 44 2HD LYS 44 6.279 -9.264 8.391 319 HD3 LYS 44 3HD LYS 44 5.267 -10.690 8.630 320 HE2 LYS 44 2HE LYS 44 6.850 -11.417 10.023 321 HE3 LYS 44 3HE LYS 44 7.833 -11.711 8.589 322 HZ1 LYS 44 3HZ LYS 44 8.825 -9.556 8.823 323 HZ2 LYS 44 1HZ LYS 44 8.973 -10.377 10.295 324 HZ3 LYS 44 2HZ LYS 44 7.807 -9.165 10.116 325 H LYS 45 H LYS 45 5.868 -9.105 4.458 326 HA LYS 45 HA LYS 45 3.493 -7.629 4.974 327 HB2 LYS 45 2HB LYS 45 6.245 -7.016 4.044 328 HB3 LYS 45 3HB LYS 45 4.997 -5.842 3.647 329 HG2 LYS 45 2HG LYS 45 4.389 -5.890 6.116 330 HG3 LYS 45 3HG LYS 45 5.916 -6.742 6.357 331 HD2 LYS 45 2HD LYS 45 6.825 -4.714 4.895 332 HD3 LYS 45 3HD LYS 45 5.407 -3.920 5.584 333 HE2 LYS 45 2HE LYS 45 6.302 -4.903 7.829 334 HE3 LYS 45 3HE LYS 45 7.829 -5.011 6.954 335 HZ1 LYS 45 3HZ LYS 45 8.038 -2.925 7.760 336 HZ2 LYS 45 1HZ LYS 45 6.371 -2.657 7.861 337 HZ3 LYS 45 2HZ LYS 45 7.160 -2.529 6.370 338 H VAL 46 H VAL 46 4.721 -9.236 2.208 339 HA VAL 46 HA VAL 46 3.171 -7.677 0.314 340 HB VAL 46 HB VAL 46 4.784 -10.199 -0.098 341 HG11 VAL 46 1HG1 VAL 46 3.341 -8.386 -2.012 342 HG12 VAL 46 2HG1 VAL 46 4.660 -9.442 -2.522 343 HG13 VAL 46 3HG1 VAL 46 3.192 -10.134 -1.830 344 HG21 VAL 46 3HG2 VAL 46 6.320 -8.524 0.464 345 HG22 VAL 46 1HG2 VAL 46 6.304 -8.524 -1.300 346 HG23 VAL 46 2HG2 VAL 46 5.423 -7.282 -0.410 347 H PHE 47 H PHE 47 2.764 -10.450 2.280 348 HA PHE 47 HA PHE 47 0.718 -11.673 0.657 349 HB2 PHE 47 2HB PHE 47 1.572 -13.374 1.878 350 HB3 PHE 47 3HB PHE 47 2.135 -12.302 3.155 351 HD1 PHE 47 HD2 PHE 47 -0.832 -14.073 1.843 352 HD2 PHE 47 HD1 PHE 47 0.923 -12.047 5.150 353 HE1 PHE 47 HE2 PHE 47 -2.681 -14.825 3.281 354 HE2 PHE 47 HE1 PHE 47 -0.924 -12.796 6.593 355 HZ PHE 47 HZ PHE 47 -2.730 -14.186 5.659 356 H GLY 48 H GLY 48 0.892 -9.411 3.306 357 HA2 GLY 48 2HA GLY 48 -1.749 -9.586 4.245 358 HA3 GLY 48 3HA GLY 48 -0.716 -8.170 4.373 359 H ILE 49 H ILE 49 -0.562 -8.407 1.274 360 HA ILE 49 HA ILE 49 -2.727 -6.551 0.811 361 HB ILE 49 HB ILE 49 -0.844 -7.631 -1.276 362 HG12 ILE 49 2HG1 ILE 49 -0.395 -5.275 0.569 363 HG13 ILE 49 3HG1 ILE 49 0.461 -6.811 0.655 364 HG21 ILE 49 1HG2 ILE 49 -2.211 -4.955 -1.058 365 HG22 ILE 49 2HG2 ILE 49 -1.302 -5.583 -2.432 366 HG23 ILE 49 3HG2 ILE 49 -2.839 -6.320 -1.982 367 HD11 ILE 49 3HD1 ILE 49 0.870 -6.075 -1.938 368 HD12 ILE 49 1HD1 ILE 49 0.877 -4.523 -1.101 369 HD13 ILE 49 2HD1 ILE 49 1.991 -5.797 -0.605 370 H LEU 50 H LEU 50 -1.766 -9.751 -0.395 371 HA LEU 50 HA LEU 50 -3.645 -10.245 -2.295 372 HB2 LEU 50 2HB LEU 50 -3.200 -12.381 -0.274 373 HB3 LEU 50 3HB LEU 50 -3.211 -12.480 -2.034 374 HG LEU 50 HG LEU 50 -0.981 -11.430 -0.295 375 HD11 LEU 50 1HD1 LEU 50 -1.377 -13.926 -1.913 376 HD12 LEU 50 2HD1 LEU 50 -0.927 -13.770 -0.216 377 HD13 LEU 50 3HD1 LEU 50 0.227 -13.338 -1.477 378 HD21 LEU 50 3HD2 LEU 50 0.010 -11.685 -2.834 379 HD22 LEU 50 1HD2 LEU 50 -0.466 -10.169 -2.068 380 HD23 LEU 50 2HD2 LEU 50 -1.599 -11.019 -3.119 381 H ASP 51 H ASP 51 -4.096 -10.847 1.190 382 HA ASP 51 HA ASP 51 -6.647 -11.788 1.247 383 HB2 ASP 51 2HB ASP 51 -4.879 -10.775 3.128 384 HB3 ASP 51 3HB ASP 51 -6.284 -9.722 3.274 385 H GLN 52 H GLN 52 -8.722 -10.777 1.661 386 HA GLN 52 HA GLN 52 -8.978 -8.182 0.290 387 HB2 GLN 52 2HB GLN 52 -11.416 -9.094 -0.059 388 HB3 GLN 52 3HB GLN 52 -10.113 -9.597 -1.128 389 HG2 GLN 52 2HG GLN 52 -10.153 -11.726 -0.403 390 HG3 GLN 52 3HG GLN 52 -10.525 -11.268 1.258 391 HE21 GLN 52 1HE2 GLN 52 -11.929 -11.553 -1.965 392 HE22 GLN 52 2HE2 GLN 52 -13.532 -11.911 -1.432 393 H ASP 53 H ASP 53 -10.391 -10.241 2.813 394 HA ASP 53 HA ASP 53 -11.651 -7.877 4.004 395 HB2 ASP 53 2HB ASP 53 -12.018 -10.792 4.724 396 HB3 ASP 53 3HB ASP 53 -12.966 -9.437 5.330 397 H LYS 54 H LYS 54 -9.012 -10.017 4.393 398 HA LYS 54 HA LYS 54 -7.327 -10.133 5.918 399 HB2 LYS 54 2HB LYS 54 -8.445 -7.634 7.180 400 HB3 LYS 54 3HB LYS 54 -6.780 -8.201 7.191 401 HG2 LYS 54 2HG LYS 54 -8.124 -7.516 4.611 402 HG3 LYS 54 3HG LYS 54 -7.445 -6.250 5.637 403 HD2 LYS 54 2HD LYS 54 -5.271 -7.049 5.393 404 HD3 LYS 54 3HD LYS 54 -5.814 -8.651 4.888 405 HE2 LYS 54 2HE LYS 54 -5.373 -7.941 2.811 406 HE3 LYS 54 3HE LYS 54 -6.883 -7.044 2.952 407 HZ1 LYS 54 3HZ LYS 54 -4.339 -5.864 3.868 408 HZ2 LYS 54 1HZ LYS 54 -5.770 -5.083 3.412 409 HZ3 LYS 54 2HZ LYS 54 -4.784 -5.794 2.237 410 H SER 55 H SER 55 -9.070 -11.904 6.527 411 HA SER 55 HA SER 55 -10.094 -11.499 9.230 412 HB2 SER 55 2HB SER 55 -11.281 -12.710 7.181 413 HB3 SER 55 3HB SER 55 -10.395 -14.103 7.803 414 HG SER 55 HG SER 55 -12.651 -13.059 8.719 415 H GLY 56 H GLY 56 -7.185 -11.803 8.521 416 HA2 GLY 56 2HA GLY 56 -5.541 -12.574 10.063 417 HA3 GLY 56 3HA GLY 56 -6.621 -13.885 10.513 418 H PHE 57 H PHE 57 -7.262 -15.064 8.183 419 HA PHE 57 HA PHE 57 -4.682 -15.759 6.948 420 HB2 PHE 57 2HB PHE 57 -6.856 -17.657 7.852 421 HB3 PHE 57 3HB PHE 57 -5.483 -18.127 6.855 422 HD1 PHE 57 HD2 PHE 57 -6.524 -16.980 10.187 423 HD2 PHE 57 HD1 PHE 57 -3.315 -18.429 7.795 424 HE1 PHE 57 HE2 PHE 57 -5.190 -17.365 12.217 425 HE2 PHE 57 HE1 PHE 57 -1.975 -18.818 9.822 426 HZ PHE 57 HZ PHE 57 -2.912 -18.285 12.037 427 H ILE 58 H ILE 58 -4.987 -16.985 4.862 428 HA ILE 58 HA ILE 58 -7.308 -15.900 3.403 429 HB ILE 58 HB ILE 58 -4.440 -16.190 2.574 430 HG12 ILE 58 2HG1 ILE 58 -6.448 -13.964 2.172 431 HG13 ILE 58 3HG1 ILE 58 -5.315 -14.048 3.516 432 HG21 ILE 58 1HG2 ILE 58 -5.526 -17.310 0.802 433 HG22 ILE 58 2HG2 ILE 58 -6.854 -16.151 0.783 434 HG23 ILE 58 3HG2 ILE 58 -5.250 -15.664 0.234 435 HD11 ILE 58 3HD1 ILE 58 -3.547 -14.231 1.586 436 HD12 ILE 58 1HD1 ILE 58 -4.823 -13.450 0.651 437 HD13 ILE 58 2HD1 ILE 58 -4.186 -12.669 2.099 438 H GLU 59 H GLU 59 -8.703 -17.517 3.101 439 HA GLU 59 HA GLU 59 -7.841 -20.248 2.815 440 HB2 GLU 59 2HB GLU 59 -10.608 -19.096 2.432 441 HB3 GLU 59 3HB GLU 59 -10.199 -20.787 2.683 442 HG2 GLU 59 2HG GLU 59 -9.639 -20.442 4.925 443 HG3 GLU 59 3HG GLU 59 -9.525 -18.695 4.718 444 H GLU 60 H GLU 60 -9.000 -21.543 0.980 445 HA GLU 60 HA GLU 60 -7.780 -20.982 -1.420 446 HB2 GLU 60 2HB GLU 60 -8.799 -23.160 -0.809 447 HB3 GLU 60 3HB GLU 60 -10.392 -22.463 -1.068 448 HG2 GLU 60 2HG GLU 60 -8.504 -22.216 -3.313 449 HG3 GLU 60 3HG GLU 60 -9.037 -23.851 -2.925 450 H GLU 61 H GLU 61 -11.096 -20.174 -0.441 451 HA GLU 61 HA GLU 61 -12.062 -19.096 -2.776 452 HB2 GLU 61 2HB GLU 61 -12.526 -18.063 0.028 453 HB3 GLU 61 3HB GLU 61 -13.526 -17.694 -1.370 454 HG2 GLU 61 2HG GLU 61 -13.695 -20.321 -1.507 455 HG3 GLU 61 3HG GLU 61 -13.320 -20.195 0.211 456 H GLU 62 H GLU 62 -10.176 -17.431 -0.265 457 HA GLU 62 HA GLU 62 -10.057 -14.988 -1.783 458 HB2 GLU 62 2HB GLU 62 -9.018 -15.930 0.845 459 HB3 GLU 62 3HB GLU 62 -8.216 -14.560 0.090 460 HG2 GLU 62 2HG GLU 62 -9.752 -13.380 1.215 461 HG3 GLU 62 3HG GLU 62 -10.777 -13.790 -0.160 462 H LEU 63 H LEU 63 -8.280 -17.897 -1.670 463 HA LEU 63 HA LEU 63 -5.753 -16.852 -2.507 464 HB2 LEU 63 2HB LEU 63 -6.477 -19.175 -1.427 465 HB3 LEU 63 3HB LEU 63 -6.515 -19.652 -3.123 466 HG LEU 63 HG LEU 63 -4.139 -18.885 -3.306 467 HD11 LEU 63 1HD1 LEU 63 -4.662 -17.755 -0.811 468 HD12 LEU 63 2HD1 LEU 63 -3.110 -17.836 -1.644 469 HD13 LEU 63 3HD1 LEU 63 -3.561 -19.095 -0.493 470 HD21 LEU 63 3HD2 LEU 63 -3.555 -21.003 -2.949 471 HD22 LEU 63 1HD2 LEU 63 -5.194 -21.261 -2.351 472 HD23 LEU 63 2HD2 LEU 63 -3.892 -20.883 -1.222 473 H GLN 64 H GLN 64 -8.683 -17.781 -4.100 474 HA GLN 64 HA GLN 64 -7.608 -18.215 -6.690 475 HB2 GLN 64 2HB GLN 64 -9.823 -18.321 -7.443 476 HB3 GLN 64 3HB GLN 64 -9.914 -18.890 -5.781 477 HG2 GLN 64 2HG GLN 64 -10.406 -16.345 -5.304 478 HG3 GLN 64 3HG GLN 64 -10.928 -16.376 -6.988 479 HE21 GLN 64 1HE2 GLN 64 -12.955 -15.782 -5.745 480 HE22 GLN 64 2HE2 GLN 64 -13.984 -17.091 -5.285 481 H LEU 65 H LEU 65 -7.687 -15.466 -4.870 482 HA LEU 65 HA LEU 65 -8.019 -13.681 -7.178 483 HB2 LEU 65 2HB LEU 65 -7.641 -12.705 -4.384 484 HB3 LEU 65 3HB LEU 65 -8.515 -11.961 -5.721 485 HG LEU 65 HG LEU 65 -9.477 -14.410 -4.251 486 HD11 LEU 65 1HD1 LEU 65 -11.079 -12.842 -3.171 487 HD12 LEU 65 2HD1 LEU 65 -10.128 -11.502 -3.811 488 HD13 LEU 65 3HD1 LEU 65 -9.405 -12.625 -2.660 489 HD21 LEU 65 3HD2 LEU 65 -11.407 -12.683 -5.577 490 HD22 LEU 65 1HD2 LEU 65 -11.200 -14.432 -5.668 491 HD23 LEU 65 2HD2 LEU 65 -10.226 -13.375 -6.690 492 H PHE 66 H PHE 66 -5.631 -15.412 -6.325 493 HA PHE 66 HA PHE 66 -3.544 -13.682 -5.538 494 HB2 PHE 66 2HB PHE 66 -3.309 -16.077 -5.283 495 HB3 PHE 66 3HB PHE 66 -3.472 -16.316 -7.020 496 HD1 PHE 66 HD1 PHE 66 -1.261 -15.170 -4.335 497 HD2 PHE 66 HD2 PHE 66 -1.638 -15.898 -8.512 498 HE1 PHE 66 HE1 PHE 66 1.181 -14.997 -4.581 499 HE2 PHE 66 HE2 PHE 66 0.804 -15.727 -8.765 500 HZ PHE 66 HZ PHE 66 2.216 -15.277 -6.798 501 H LEU 67 H LEU 67 -5.205 -14.016 -8.475 502 HA LEU 67 HA LEU 67 -3.007 -12.957 -10.078 503 HB2 LEU 67 2HB LEU 67 -5.682 -14.130 -10.673 504 HB3 LEU 67 3HB LEU 67 -4.925 -13.077 -11.865 505 HG LEU 67 HG LEU 67 -3.677 -15.595 -10.768 506 HD11 LEU 67 1HD1 LEU 67 -5.698 -15.208 -12.787 507 HD12 LEU 67 2HD1 LEU 67 -5.039 -16.703 -12.125 508 HD13 LEU 67 3HD1 LEU 67 -4.234 -15.908 -13.476 509 HD21 LEU 67 3HD2 LEU 67 -2.382 -15.166 -13.030 510 HD22 LEU 67 1HD2 LEU 67 -1.877 -14.410 -11.519 511 HD23 LEU 67 2HD2 LEU 67 -2.826 -13.493 -12.690 512 H LYS 68 H LYS 68 -5.147 -11.674 -8.022 513 HA LYS 68 HA LYS 68 -5.758 -9.323 -9.669 514 HB2 LYS 68 2HB LYS 68 -6.807 -9.991 -6.916 515 HB3 LYS 68 3HB LYS 68 -7.393 -8.732 -7.995 516 HG2 LYS 68 2HG LYS 68 -7.467 -11.626 -8.773 517 HG3 LYS 68 3HG LYS 68 -8.753 -10.882 -7.820 518 HD2 LYS 68 2HD LYS 68 -8.127 -9.210 -10.061 519 HD3 LYS 68 3HD LYS 68 -8.433 -10.856 -10.619 520 HE2 LYS 68 2HE LYS 68 -10.592 -10.881 -9.684 521 HE3 LYS 68 3HE LYS 68 -10.268 -9.460 -8.693 522 HZ1 LYS 68 3HZ LYS 68 -11.626 -9.317 -10.930 523 HZ2 LYS 68 1HZ LYS 68 -10.078 -9.155 -11.592 524 HZ3 LYS 68 2HZ LYS 68 -10.617 -8.058 -10.423 525 H ASN 69 H ASN 69 -3.694 -10.432 -7.191 526 HA ASN 69 HA ASN 69 -3.140 -7.775 -6.147 527 HB2 ASN 69 2HB ASN 69 -3.119 -9.466 -4.483 528 HB3 ASN 69 3HB ASN 69 -2.114 -10.528 -5.465 529 HD21 ASN 69 1HD2 ASN 69 -2.136 -7.476 -3.710 530 HD22 ASN 69 2HD2 ASN 69 -0.447 -7.466 -3.345 531 H PHE 70 H PHE 70 -2.009 -9.858 -8.597 532 HA PHE 70 HA PHE 70 0.506 -8.344 -8.817 533 HB2 PHE 70 2HB PHE 70 -0.238 -11.068 -9.898 534 HB3 PHE 70 3HB PHE 70 1.265 -10.233 -10.275 535 HD1 PHE 70 HD2 PHE 70 -0.739 -11.475 -7.399 536 HD2 PHE 70 HD1 PHE 70 3.121 -10.542 -8.931 537 HE1 PHE 70 HE2 PHE 70 0.290 -12.431 -5.379 538 HE2 PHE 70 HE1 PHE 70 4.156 -11.498 -6.914 539 HZ PHE 70 HZ PHE 70 2.740 -12.442 -5.133 540 H SER 71 H SER 71 -2.125 -9.737 -10.761 541 HA SER 71 HA SER 71 -1.537 -7.736 -12.842 542 HB2 SER 71 2HB SER 71 -2.237 -9.234 -14.487 543 HB3 SER 71 3HB SER 71 -1.431 -10.298 -13.335 544 HG SER 71 HG SER 71 -3.265 -11.249 -12.973 545 H SER 72 H SER 72 -3.265 -6.631 -13.823 546 HA SER 72 HA SER 72 -5.702 -6.549 -12.174 547 HB2 SER 72 2HB SER 72 -5.962 -4.226 -13.189 548 HB3 SER 72 3HB SER 72 -4.617 -4.433 -12.067 549 HG SER 72 HG SER 72 -4.126 -4.904 -14.770 550 H SER 73 H SER 73 -4.706 -7.928 -14.889 551 HA SER 73 HA SER 73 -7.073 -7.250 -16.486 552 HB2 SER 73 2HB SER 73 -4.809 -7.168 -17.566 553 HB3 SER 73 3HB SER 73 -4.680 -8.908 -17.312 554 HG SER 73 HG SER 73 -6.228 -9.258 -18.780 555 H ALA 74 H ALA 74 -5.406 -9.946 -14.950 556 HA ALA 74 HA ALA 74 -7.062 -12.014 -15.901 557 HB1 ALA 74 1HB ALA 74 -5.018 -12.675 -14.968 558 HB2 ALA 74 2HB ALA 74 -5.296 -11.758 -13.487 559 HB3 ALA 74 3HB ALA 74 -6.231 -13.218 -13.809 560 H ARG 75 H ARG 75 -8.262 -13.410 -14.096 561 HA ARG 75 HA ARG 75 -10.149 -11.591 -12.748 562 HB2 ARG 75 2HB ARG 75 -11.613 -13.846 -13.079 563 HB3 ARG 75 3HB ARG 75 -11.622 -12.494 -14.204 564 HG2 ARG 75 2HG ARG 75 -10.315 -13.597 -15.750 565 HG3 ARG 75 3HG ARG 75 -9.637 -14.696 -14.547 566 HD2 ARG 75 2HD ARG 75 -11.232 -15.808 -16.066 567 HD3 ARG 75 3HD ARG 75 -11.737 -15.872 -14.378 568 HE ARG 75 HE ARG 75 -12.900 -13.630 -15.619 569 HH11 ARG 75 1HH1 ARG 75 -13.093 -17.106 -15.597 570 HH12 ARG 75 2HH1 ARG 75 -14.765 -17.146 -16.049 571 HH21 ARG 75 1HH2 ARG 75 -15.101 -13.670 -16.215 572 HH22 ARG 75 2HH2 ARG 75 -15.906 -15.191 -16.401 573 H VAL 76 H VAL 76 -9.372 -15.074 -12.681 574 HA VAL 76 HA VAL 76 -8.545 -14.932 -9.923 575 HB VAL 76 HB VAL 76 -10.269 -16.757 -9.302 576 HG11 VAL 76 1HG1 VAL 76 -10.117 -14.362 -8.471 577 HG12 VAL 76 2HG1 VAL 76 -11.381 -13.984 -9.644 578 HG13 VAL 76 3HG1 VAL 76 -11.694 -15.141 -8.350 579 HG21 VAL 76 3HG2 VAL 76 -11.781 -15.397 -11.530 580 HG22 VAL 76 1HG2 VAL 76 -11.120 -17.030 -11.611 581 HG23 VAL 76 2HG2 VAL 76 -12.390 -16.649 -10.448 582 H LEU 77 H LEU 77 -8.122 -17.227 -9.073 583 HA LEU 77 HA LEU 77 -6.451 -18.553 -10.967 584 HB2 LEU 77 2HB LEU 77 -7.297 -19.444 -8.214 585 HB3 LEU 77 3HB LEU 77 -5.957 -20.098 -9.153 586 HG LEU 77 HG LEU 77 -6.161 -17.454 -7.753 587 HD11 LEU 77 1HD1 LEU 77 -3.804 -18.278 -7.087 588 HD12 LEU 77 2HD1 LEU 77 -4.373 -19.849 -7.651 589 HD13 LEU 77 3HD1 LEU 77 -5.216 -19.025 -6.339 590 HD21 LEU 77 3HD2 LEU 77 -4.203 -18.215 -9.916 591 HD22 LEU 77 1HD2 LEU 77 -4.052 -16.815 -8.855 592 HD23 LEU 77 2HD2 LEU 77 -5.400 -16.921 -9.986 593 H THR 78 H THR 78 -6.557 -20.966 -11.262 594 HA THR 78 HA THR 78 -9.353 -21.841 -11.602 595 HB THR 78 HB THR 78 -8.144 -21.255 -13.754 596 HG1 THR 78 HG1 THR 78 -9.573 -22.608 -14.510 597 HG21 THR 78 3HG2 THR 78 -6.050 -22.605 -12.723 598 HG22 THR 78 1HG2 THR 78 -6.295 -22.363 -14.452 599 HG23 THR 78 2HG2 THR 78 -6.788 -23.878 -13.695 600 H SER 79 H SER 79 -8.946 -24.410 -12.417 601 HA SER 79 HA SER 79 -8.262 -25.693 -9.949 602 HB2 SER 79 2HB SER 79 -8.972 -27.744 -11.030 603 HB3 SER 79 3HB SER 79 -10.116 -26.463 -11.431 604 HG SER 79 HG SER 79 -9.409 -27.796 -13.233 605 H ALA 80 H ALA 80 -5.990 -24.580 -10.370 606 HA ALA 80 HA ALA 80 -4.113 -26.641 -10.583 607 HB1 ALA 80 1HB ALA 80 -3.264 -25.112 -12.819 608 HB2 ALA 80 2HB ALA 80 -3.672 -26.826 -12.748 609 HB3 ALA 80 3HB ALA 80 -4.922 -25.637 -13.110 610 H GLU 81 H GLU 81 -4.734 -23.193 -10.977 611 HA GLU 81 HA GLU 81 -2.084 -22.425 -10.163 612 HB2 GLU 81 2HB GLU 81 -4.614 -20.808 -10.507 613 HB3 GLU 81 3HB GLU 81 -3.034 -20.123 -10.155 614 HG2 GLU 81 2HG GLU 81 -2.355 -21.480 -12.313 615 HG3 GLU 81 3HG GLU 81 -4.073 -21.308 -12.667 616 H THR 82 H THR 82 -5.317 -22.315 -8.692 617 HA THR 82 HA THR 82 -4.443 -21.256 -6.211 618 HB THR 82 HB THR 82 -6.844 -22.908 -6.035 619 HG1 THR 82 HG1 THR 82 -8.038 -21.622 -7.524 620 HG21 THR 82 3HG2 THR 82 -7.028 -19.976 -5.911 621 HG22 THR 82 1HG2 THR 82 -5.867 -20.695 -4.796 622 HG23 THR 82 2HG2 THR 82 -7.558 -21.195 -4.752 623 H LYS 83 H LYS 83 -4.839 -24.518 -7.451 624 HA LYS 83 HA LYS 83 -4.512 -25.832 -4.943 625 HB2 LYS 83 2HB LYS 83 -4.061 -26.911 -7.731 626 HB3 LYS 83 3HB LYS 83 -4.254 -27.870 -6.269 627 HG2 LYS 83 2HG LYS 83 -6.402 -25.972 -7.110 628 HG3 LYS 83 3HG LYS 83 -6.260 -27.557 -7.874 629 HD2 LYS 83 2HD LYS 83 -6.406 -28.623 -5.670 630 HD3 LYS 83 3HD LYS 83 -6.562 -27.034 -4.915 631 HE2 LYS 83 2HE LYS 83 -8.691 -26.702 -5.754 632 HE3 LYS 83 3HE LYS 83 -8.460 -27.845 -7.077 633 HZ1 LYS 83 3HZ LYS 83 -9.617 -29.239 -5.800 634 HZ2 LYS 83 1HZ LYS 83 -9.412 -28.305 -4.404 635 HZ3 LYS 83 2HZ LYS 83 -8.209 -29.397 -4.875 636 H ALA 84 H ALA 84 -2.325 -25.178 -7.666 637 HA ALA 84 HA ALA 84 -0.055 -26.396 -6.480 638 HB1 ALA 84 1HB ALA 84 0.096 -24.207 -8.525 639 HB2 ALA 84 2HB ALA 84 1.166 -25.592 -8.301 640 HB3 ALA 84 3HB ALA 84 -0.459 -25.828 -8.946 641 H PHE 85 H PHE 85 -1.690 -23.577 -5.716 642 HA PHE 85 HA PHE 85 0.708 -22.277 -4.629 643 HB2 PHE 85 2HB PHE 85 -0.902 -20.976 -6.095 644 HB3 PHE 85 3HB PHE 85 -2.072 -21.111 -4.787 645 HD1 PHE 85 HD1 PHE 85 1.337 -19.872 -5.572 646 HD2 PHE 85 HD2 PHE 85 -2.075 -19.573 -3.044 647 HE1 PHE 85 HE1 PHE 85 2.301 -17.871 -4.513 648 HE2 PHE 85 HE2 PHE 85 -1.116 -17.571 -1.982 649 HZ PHE 85 HZ PHE 85 1.074 -16.717 -2.716 650 H LEU 86 H LEU 86 -2.587 -23.240 -3.713 651 HA LEU 86 HA LEU 86 -2.307 -22.611 -0.969 652 HB2 LEU 86 2HB LEU 86 -4.417 -23.115 -2.445 653 HB3 LEU 86 3HB LEU 86 -4.140 -24.770 -1.905 654 HG LEU 86 HG LEU 86 -4.285 -22.633 0.159 655 HD11 LEU 86 1HD1 LEU 86 -6.891 -23.740 -0.368 656 HD12 LEU 86 2HD1 LEU 86 -6.291 -22.848 -1.765 657 HD13 LEU 86 3HD1 LEU 86 -6.399 -22.056 -0.193 658 HD21 LEU 86 3HD2 LEU 86 -4.721 -24.351 1.557 659 HD22 LEU 86 1HD2 LEU 86 -3.957 -25.300 0.282 660 HD23 LEU 86 2HD2 LEU 86 -5.715 -25.205 0.376 661 H ALA 87 H ALA 87 -2.257 -25.758 -2.647 662 HA ALA 87 HA ALA 87 -1.504 -27.256 -0.377 663 HB1 ALA 87 1HB ALA 87 -1.024 -29.056 -1.942 664 HB2 ALA 87 2HB ALA 87 -2.543 -28.259 -2.356 665 HB3 ALA 87 3HB ALA 87 -1.085 -27.919 -3.289 666 H ALA 88 H ALA 88 0.257 -25.107 -2.312 667 HA ALA 88 HA ALA 88 2.830 -26.355 -1.692 668 HB1 ALA 88 1HB ALA 88 3.790 -24.669 -3.186 669 HB2 ALA 88 2HB ALA 88 2.508 -25.586 -3.978 670 HB3 ALA 88 3HB ALA 88 2.193 -23.950 -3.397 671 H GLY 89 H GLY 89 0.807 -23.673 -0.792 672 HA2 GLY 89 2HA GLY 89 2.969 -22.455 0.769 673 HA3 GLY 89 3HA GLY 89 1.395 -21.741 0.452 674 H ASP 90 H ASP 90 -0.430 -23.384 1.328 675 HA ASP 90 HA ASP 90 -0.462 -23.130 4.074 676 HB2 ASP 90 2HB ASP 90 -2.544 -23.523 3.087 677 HB3 ASP 90 3HB ASP 90 -1.961 -24.921 2.187 678 H THR 91 H THR 91 1.138 -23.885 5.330 679 HA THR 91 HA THR 91 1.773 -26.759 5.144 680 HB THR 91 HB THR 91 3.987 -26.001 6.291 681 HG1 THR 91 HG1 THR 91 4.420 -23.916 6.225 682 HG21 THR 91 3HG2 THR 91 4.973 -25.497 4.012 683 HG22 THR 91 1HG2 THR 91 3.330 -25.588 3.379 684 HG23 THR 91 2HG2 THR 91 4.061 -27.001 4.141 685 H ASP 92 H ASP 92 1.659 -23.970 7.348 686 HA ASP 92 HA ASP 92 1.877 -25.451 9.734 687 HB2 ASP 92 2HB ASP 92 2.267 -23.032 9.645 688 HB3 ASP 92 3HB ASP 92 0.569 -22.763 9.262 689 H GLY 93 H GLY 93 -0.958 -24.268 7.949 690 HA2 GLY 93 2HA GLY 93 -2.659 -25.916 9.706 691 HA3 GLY 93 3HA GLY 93 -3.215 -24.528 8.782 692 H ASP 94 H ASP 94 -4.845 -25.615 7.715 693 HA ASP 94 HA ASP 94 -3.990 -27.162 5.431 694 HB2 ASP 94 2HB ASP 94 -4.274 -28.847 7.275 695 HB3 ASP 94 3HB ASP 94 -5.975 -28.394 7.349 696 H GLY 95 H GLY 95 -4.847 -25.496 4.194 697 HA2 GLY 95 2HA GLY 95 -7.115 -25.536 2.937 698 HA3 GLY 95 3HA GLY 95 -7.723 -24.960 4.482 699 H LYS 96 H LYS 96 -6.107 -23.085 5.326 700 HA LYS 96 HA LYS 96 -6.084 -21.111 3.142 701 HB2 LYS 96 2HB LYS 96 -6.137 -19.438 5.067 702 HB3 LYS 96 3HB LYS 96 -7.601 -20.372 4.789 703 HG2 LYS 96 2HG LYS 96 -7.284 -20.335 7.117 704 HG3 LYS 96 3HG LYS 96 -6.791 -21.946 6.589 705 HD2 LYS 96 2HD LYS 96 -4.586 -20.061 6.538 706 HD3 LYS 96 3HD LYS 96 -5.311 -20.187 8.142 707 HE2 LYS 96 2HE LYS 96 -4.690 -22.664 6.590 708 HE3 LYS 96 3HE LYS 96 -3.397 -21.814 7.435 709 HZ1 LYS 96 3HZ LYS 96 -5.347 -23.552 8.492 710 HZ2 LYS 96 1HZ LYS 96 -5.519 -22.030 9.211 711 HZ3 LYS 96 2HZ LYS 96 -4.032 -22.834 9.277 712 H ILE 97 H ILE 97 -4.501 -19.201 3.803 713 HA ILE 97 HA ILE 97 -1.965 -20.332 4.759 714 HB ILE 97 HB ILE 97 -2.353 -18.796 2.192 715 HG12 ILE 97 2HG1 ILE 97 -1.155 -21.514 2.772 716 HG13 ILE 97 3HG1 ILE 97 -2.737 -21.223 2.058 717 HG21 ILE 97 1HG2 ILE 97 0.114 -18.898 1.979 718 HG22 ILE 97 2HG2 ILE 97 -0.432 -17.874 3.306 719 HG23 ILE 97 3HG2 ILE 97 0.199 -19.487 3.639 720 HD11 ILE 97 3HD1 ILE 97 -0.088 -20.475 0.842 721 HD12 ILE 97 1HD1 ILE 97 -1.103 -21.840 0.374 722 HD13 ILE 97 2HD1 ILE 97 -1.674 -20.189 0.124 723 H GLY 98 H GLY 98 -1.123 -19.106 6.306 724 HA2 GLY 98 2HA GLY 98 -2.129 -16.396 6.687 725 HA3 GLY 98 3HA GLY 98 -1.158 -17.317 7.826 726 H VAL 99 H VAL 99 0.774 -16.464 8.151 727 HA VAL 99 HA VAL 99 2.070 -15.030 5.926 728 HB VAL 99 HB VAL 99 3.419 -14.292 8.232 729 HG11 VAL 99 1HG1 VAL 99 2.781 -12.157 7.659 730 HG12 VAL 99 2HG1 VAL 99 2.493 -13.016 6.145 731 HG13 VAL 99 3HG1 VAL 99 1.145 -12.647 7.221 732 HG21 VAL 99 3HG2 VAL 99 1.651 -13.513 9.758 733 HG22 VAL 99 1HG2 VAL 99 0.454 -14.363 8.781 734 HG23 VAL 99 2HG2 VAL 99 1.700 -15.272 9.637 735 H GLU 100 H GLU 100 2.904 -16.856 8.878 736 HA GLU 100 HA GLU 100 5.555 -17.392 8.228 737 HB2 GLU 100 2HB GLU 100 3.633 -18.301 10.183 738 HB3 GLU 100 3HB GLU 100 4.625 -19.642 9.628 739 HG2 GLU 100 2HG GLU 100 6.580 -17.934 10.042 740 HG3 GLU 100 3HG GLU 100 5.401 -17.201 11.129 741 H GLU 101 H GLU 101 2.630 -18.814 7.041 742 HA GLU 101 HA GLU 101 4.010 -21.095 5.878 743 HB2 GLU 101 2HB GLU 101 1.125 -20.297 5.496 744 HB3 GLU 101 3HB GLU 101 1.847 -21.873 5.203 745 HG2 GLU 101 2HG GLU 101 0.776 -22.203 7.205 746 HG3 GLU 101 3HG GLU 101 2.411 -21.805 7.731 747 H PHE 102 H PHE 102 2.983 -17.931 5.000 748 HA PHE 102 HA PHE 102 2.862 -18.358 2.176 749 HB2 PHE 102 2HB PHE 102 1.672 -16.498 3.265 750 HB3 PHE 102 3HB PHE 102 3.214 -15.787 3.732 751 HD1 PHE 102 HD1 PHE 102 1.018 -16.583 0.887 752 HD2 PHE 102 HD2 PHE 102 4.507 -14.525 2.195 753 HE1 PHE 102 HE1 PHE 102 1.095 -15.362 -1.248 754 HE2 PHE 102 HE2 PHE 102 4.588 -13.300 0.063 755 HZ PHE 102 HZ PHE 102 2.880 -13.717 -1.661 756 H GLN 103 H GLN 103 5.191 -16.527 4.167 757 HA GLN 103 HA GLN 103 7.105 -16.136 2.195 758 HB2 GLN 103 2HB GLN 103 8.714 -15.847 4.077 759 HB3 GLN 103 3HB GLN 103 7.229 -14.926 4.269 760 HG2 GLN 103 2HG GLN 103 6.380 -16.529 5.848 761 HG3 GLN 103 3HG GLN 103 7.774 -17.575 5.586 762 HE21 GLN 103 1HE2 GLN 103 6.645 -14.596 6.991 763 HE22 GLN 103 2HE2 GLN 103 8.009 -14.330 8.017 764 H SER 104 H SER 104 6.388 -18.962 4.077 765 HA SER 104 HA SER 104 8.841 -20.327 3.724 766 HB2 SER 104 2HB SER 104 7.223 -20.996 5.438 767 HB3 SER 104 3HB SER 104 6.061 -21.438 4.187 768 HG SER 104 HG SER 104 7.016 -23.321 4.587 769 H LEU 105 H LEU 105 6.406 -19.516 1.541 770 HA LEU 105 HA LEU 105 7.080 -21.728 -0.269 771 HB2 LEU 105 2HB LEU 105 4.731 -21.479 0.035 772 HB3 LEU 105 3HB LEU 105 4.819 -19.742 -0.253 773 HG LEU 105 HG LEU 105 5.649 -21.563 -2.453 774 HD11 LEU 105 1HD1 LEU 105 3.712 -22.717 -2.146 775 HD12 LEU 105 2HD1 LEU 105 3.086 -21.362 -3.084 776 HD13 LEU 105 3HD1 LEU 105 2.908 -21.376 -1.330 777 HD21 LEU 105 3HD2 LEU 105 5.404 -18.867 -2.199 778 HD22 LEU 105 1HD2 LEU 105 3.846 -19.294 -2.908 779 HD23 LEU 105 2HD2 LEU 105 5.341 -19.742 -3.730 780 H VAL 106 H VAL 106 6.886 -18.194 -0.116 781 HA VAL 106 HA VAL 106 7.760 -17.648 -2.722 782 HB VAL 106 HB VAL 106 8.140 -16.000 -0.219 783 HG11 VAL 106 1HG1 VAL 106 9.496 -14.785 -1.526 784 HG12 VAL 106 2HG1 VAL 106 8.934 -15.571 -3.003 785 HG13 VAL 106 3HG1 VAL 106 8.007 -14.244 -2.302 786 HG21 VAL 106 3HG2 VAL 106 5.807 -16.697 -1.603 787 HG22 VAL 106 1HG2 VAL 106 5.991 -15.454 -0.365 788 HG23 VAL 106 2HG2 VAL 106 6.163 -15.034 -2.070 789 H LYS 107 H LYS 107 9.592 -17.948 0.307 790 HA LYS 107 HA LYS 107 12.123 -17.355 -0.723 791 HB2 LYS 107 2HB LYS 107 11.452 -19.250 1.537 792 HB3 LYS 107 3HB LYS 107 13.012 -18.489 1.251 793 HG2 LYS 107 2HG LYS 107 12.265 -16.404 1.921 794 HG3 LYS 107 3HG LYS 107 10.569 -16.814 1.650 795 HD2 LYS 107 2HD LYS 107 11.012 -16.719 4.025 796 HD3 LYS 107 3HD LYS 107 10.682 -18.387 3.553 797 HE2 LYS 107 2HE LYS 107 13.142 -18.767 3.437 798 HE3 LYS 107 3HE LYS 107 13.377 -17.143 4.082 799 HZ1 LYS 107 3HZ LYS 107 12.326 -19.538 5.418 800 HZ2 LYS 107 1HZ LYS 107 11.807 -18.015 5.942 801 HZ3 LYS 107 2HZ LYS 107 13.452 -18.404 5.974 802 H ALA 108 H ALA 108 10.143 -20.123 -1.133 803 HA ALA 108 HA ALA 108 12.361 -21.839 -1.921 804 HB1 ALA 108 1HB ALA 108 10.245 -22.566 -0.618 805 HB2 ALA 108 2HB ALA 108 9.479 -22.586 -2.207 806 HB3 ALA 108 3HB ALA 108 10.875 -23.615 -1.888 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -0.651 0.266 -1.967 2 HA ALA 1 HA ALA 1 -0.008 -1.175 -4.224 3 HB1 ALA 1 1HB ALA 1 0.596 1.066 -4.273 4 HB2 ALA 1 2HB ALA 1 1.450 0.973 -2.733 5 HB3 ALA 1 3HB ALA 1 2.150 0.238 -4.175 6 H ILE 2 H ILE 2 1.584 -2.607 -4.815 7 HA ILE 2 HA ILE 2 2.870 -4.030 -2.603 8 HB ILE 2 HB ILE 2 1.573 -5.429 -4.089 9 HG12 ILE 2 2HG1 ILE 2 3.263 -7.078 -4.677 10 HG13 ILE 2 3HG1 ILE 2 4.522 -5.848 -4.627 11 HG21 ILE 2 1HG2 ILE 2 1.415 -5.027 -6.264 12 HG22 ILE 2 2HG2 ILE 2 2.589 -3.723 -6.093 13 HG23 ILE 2 3HG2 ILE 2 3.134 -5.356 -6.474 14 HD11 ILE 2 3HD1 ILE 2 4.123 -5.563 -2.227 15 HD12 ILE 2 1HD1 ILE 2 2.900 -6.831 -2.292 16 HD13 ILE 2 2HD1 ILE 2 4.586 -7.214 -2.638 17 H THR 3 H THR 3 3.579 -2.035 -5.337 18 HA THR 3 HA THR 3 6.220 -2.723 -5.879 19 HB THR 3 HB THR 3 6.505 -0.419 -6.719 20 HG1 THR 3 HG1 THR 3 5.358 1.064 -5.748 21 HG21 THR 3 3HG2 THR 3 3.894 -0.731 -7.820 22 HG22 THR 3 1HG2 THR 3 4.592 -2.331 -7.572 23 HG23 THR 3 2HG2 THR 3 5.450 -1.136 -8.544 24 H ASP 4 H ASP 4 4.867 -1.132 -3.141 25 HA ASP 4 HA ASP 4 7.112 0.312 -2.247 26 HB2 ASP 4 2HB ASP 4 4.501 -0.327 -1.270 27 HB3 ASP 4 3HB ASP 4 5.670 -0.641 0.009 28 H ILE 5 H ILE 5 6.427 -3.050 -2.294 29 HA ILE 5 HA ILE 5 8.670 -3.574 -0.458 30 HB ILE 5 HB ILE 5 6.873 -5.791 -1.276 31 HG12 ILE 5 2HG1 ILE 5 5.287 -3.968 -0.818 32 HG13 ILE 5 3HG1 ILE 5 5.208 -5.210 0.427 33 HG21 ILE 5 1HG2 ILE 5 8.869 -5.296 0.667 34 HG22 ILE 5 2HG2 ILE 5 7.355 -5.590 1.522 35 HG23 ILE 5 3HG2 ILE 5 7.968 -6.784 0.378 36 HD11 ILE 5 3HD1 ILE 5 5.342 -2.567 0.918 37 HD12 ILE 5 1HD1 ILE 5 5.894 -3.812 2.038 38 HD13 ILE 5 2HD1 ILE 5 7.051 -2.997 0.986 39 H LEU 6 H LEU 6 7.160 -4.754 -3.459 40 HA LEU 6 HA LEU 6 9.676 -6.035 -4.214 41 HB2 LEU 6 2HB LEU 6 6.843 -6.329 -4.964 42 HB3 LEU 6 3HB LEU 6 8.000 -6.543 -6.276 43 HG LEU 6 HG LEU 6 8.950 -8.436 -5.285 44 HD11 LEU 6 1HD1 LEU 6 8.431 -9.142 -2.968 45 HD12 LEU 6 2HD1 LEU 6 7.562 -7.625 -2.736 46 HD13 LEU 6 3HD1 LEU 6 9.296 -7.608 -3.057 47 HD21 LEU 6 3HD2 LEU 6 6.223 -8.969 -4.278 48 HD22 LEU 6 1HD2 LEU 6 7.219 -9.888 -5.406 49 HD23 LEU 6 2HD2 LEU 6 6.358 -8.452 -5.960 50 H SER 7 H SER 7 9.730 -5.923 -6.885 51 HA SER 7 HA SER 7 9.934 -3.041 -7.470 52 HB2 SER 7 2HB SER 7 11.802 -5.295 -7.922 53 HB3 SER 7 3HB SER 7 11.665 -4.131 -9.241 54 HG SER 7 HG SER 7 13.124 -3.864 -7.128 55 H ALA 8 H ALA 8 8.688 -2.314 -9.054 56 HA ALA 8 HA ALA 8 6.880 -3.884 -10.477 57 HB1 ALA 8 1HB ALA 8 7.597 -1.112 -10.342 58 HB2 ALA 8 2HB ALA 8 7.330 -1.583 -12.021 59 HB3 ALA 8 3HB ALA 8 6.067 -1.848 -10.820 60 H LYS 9 H LYS 9 10.179 -3.021 -11.190 61 HA LYS 9 HA LYS 9 10.047 -3.855 -13.948 62 HB2 LYS 9 2HB LYS 9 11.676 -2.148 -12.702 63 HB3 LYS 9 3HB LYS 9 12.654 -3.599 -12.532 64 HG2 LYS 9 2HG LYS 9 13.052 -3.765 -14.776 65 HG3 LYS 9 3HG LYS 9 11.558 -2.934 -15.215 66 HD2 LYS 9 2HD LYS 9 12.480 -0.813 -14.584 67 HD3 LYS 9 3HD LYS 9 13.916 -1.584 -13.906 68 HE2 LYS 9 2HE LYS 9 14.729 -0.929 -15.943 69 HE3 LYS 9 3HE LYS 9 14.147 -2.544 -16.343 70 HZ1 LYS 9 3HZ LYS 9 12.998 -1.541 -17.944 71 HZ2 LYS 9 1HZ LYS 9 13.249 0.002 -17.298 72 HZ3 LYS 9 2HZ LYS 9 11.974 -0.955 -16.732 73 H ASP 10 H ASP 10 10.276 -5.433 -10.992 74 HA ASP 10 HA ASP 10 11.668 -7.742 -12.159 75 HB2 ASP 10 2HB ASP 10 10.978 -7.199 -9.263 76 HB3 ASP 10 3HB ASP 10 11.939 -8.545 -9.868 77 H ILE 11 H ILE 11 8.650 -6.698 -10.721 78 HA ILE 11 HA ILE 11 7.439 -9.210 -10.389 79 HB ILE 11 HB ILE 11 6.139 -6.550 -10.984 80 HG12 ILE 11 2HG1 ILE 11 6.209 -7.848 -8.290 81 HG13 ILE 11 3HG1 ILE 11 7.639 -6.994 -8.859 82 HG21 ILE 11 1HG2 ILE 11 4.975 -9.141 -9.981 83 HG22 ILE 11 2HG2 ILE 11 4.135 -7.592 -9.932 84 HG23 ILE 11 3HG2 ILE 11 4.585 -8.302 -11.482 85 HD11 ILE 11 3HD1 ILE 11 5.867 -5.758 -7.430 86 HD12 ILE 11 1HD1 ILE 11 6.596 -4.948 -8.816 87 HD13 ILE 11 2HD1 ILE 11 4.983 -5.648 -8.951 88 H GLU 12 H GLU 12 7.293 -6.915 -13.105 89 HA GLU 12 HA GLU 12 5.579 -8.376 -14.748 90 HB2 GLU 12 2HB GLU 12 6.255 -6.965 -16.512 91 HB3 GLU 12 3HB GLU 12 6.413 -5.989 -15.059 92 HG2 GLU 12 2HG GLU 12 8.876 -6.801 -15.092 93 HG3 GLU 12 3HG GLU 12 8.542 -7.170 -16.783 94 H SER 13 H SER 13 8.978 -8.760 -14.094 95 HA SER 13 HA SER 13 9.446 -10.541 -16.311 96 HB2 SER 13 2HB SER 13 11.256 -9.121 -15.428 97 HB3 SER 13 3HB SER 13 11.159 -9.962 -13.881 98 HG SER 13 HG SER 13 12.761 -10.646 -15.643 99 H ALA 14 H ALA 14 7.765 -10.897 -13.532 100 HA ALA 14 HA ALA 14 8.347 -13.783 -13.409 101 HB1 ALA 14 1HB ALA 14 8.490 -13.798 -11.160 102 HB2 ALA 14 2HB ALA 14 8.929 -12.104 -11.384 103 HB3 ALA 14 3HB ALA 14 7.272 -12.538 -10.966 104 H LEU 15 H LEU 15 6.144 -11.535 -14.291 105 HA LEU 15 HA LEU 15 3.778 -12.909 -13.309 106 HB2 LEU 15 2HB LEU 15 4.345 -10.358 -14.702 107 HB3 LEU 15 3HB LEU 15 2.773 -11.100 -14.999 108 HG LEU 15 HG LEU 15 3.859 -10.317 -12.294 109 HD11 LEU 15 1HD1 LEU 15 3.286 -8.266 -12.999 110 HD12 LEU 15 2HD1 LEU 15 1.637 -8.821 -12.708 111 HD13 LEU 15 3HD1 LEU 15 2.314 -8.882 -14.335 112 HD21 LEU 15 3HD2 LEU 15 1.524 -11.875 -13.185 113 HD22 LEU 15 1HD2 LEU 15 1.201 -10.631 -11.976 114 HD23 LEU 15 2HD2 LEU 15 2.386 -11.894 -11.646 115 H SER 16 H SER 16 4.642 -11.755 -16.567 116 HA SER 16 HA SER 16 3.329 -14.125 -17.681 117 HB2 SER 16 2HB SER 16 2.945 -11.585 -18.383 118 HB3 SER 16 3HB SER 16 4.326 -11.922 -19.427 119 HG SER 16 HG SER 16 1.816 -12.548 -19.860 120 H SER 17 H SER 17 5.973 -14.255 -16.468 121 HA SER 17 HA SER 17 7.692 -14.744 -18.796 122 HB2 SER 17 2HB SER 17 8.302 -14.441 -15.853 123 HB3 SER 17 3HB SER 17 9.500 -14.988 -17.025 124 HG SER 17 HG SER 17 8.224 -12.481 -16.831 125 H CYS 18 H CYS 18 6.186 -16.309 -16.045 126 HA CYS 18 HA CYS 18 7.119 -18.906 -17.079 127 HB2 CYS 18 2HB CYS 18 6.330 -18.351 -14.219 128 HB3 CYS 18 3HB CYS 18 7.128 -19.784 -14.855 129 HG CYS 18 HG CYS 18 9.327 -18.862 -13.836 130 H GLN 19 H GLN 19 4.797 -17.530 -17.999 131 HA GLN 19 HA GLN 19 2.607 -19.097 -16.826 132 HB2 GLN 19 2HB GLN 19 1.098 -17.527 -17.938 133 HB3 GLN 19 3HB GLN 19 2.243 -16.677 -16.909 134 HG2 GLN 19 2HG GLN 19 2.219 -15.376 -18.806 135 HG3 GLN 19 3HG GLN 19 3.626 -16.405 -19.072 136 HE21 GLN 19 1HE2 GLN 19 3.218 -15.709 -21.317 137 HE22 GLN 19 2HE2 GLN 19 2.118 -16.640 -22.270 138 H ALA 20 H ALA 20 4.451 -18.582 -19.727 139 HA ALA 20 HA ALA 20 2.666 -20.042 -21.445 140 HB1 ALA 20 1HB ALA 20 4.613 -18.234 -21.925 141 HB2 ALA 20 2HB ALA 20 5.470 -19.734 -22.280 142 HB3 ALA 20 3HB ALA 20 3.978 -19.347 -23.137 143 H ALA 21 H ALA 21 3.558 -21.947 -22.716 144 HA ALA 21 HA ALA 21 4.248 -24.016 -20.854 145 HB1 ALA 21 1HB ALA 21 3.520 -25.457 -22.426 146 HB2 ALA 21 2HB ALA 21 2.819 -24.003 -23.137 147 HB3 ALA 21 3HB ALA 21 4.358 -24.622 -23.734 148 H ASP 22 H ASP 22 6.013 -21.890 -22.845 149 HA ASP 22 HA ASP 22 8.482 -23.288 -22.175 150 HB2 ASP 22 2HB ASP 22 9.291 -22.826 -24.573 151 HB3 ASP 22 3HB ASP 22 8.208 -24.193 -24.325 152 H SER 23 H SER 23 7.844 -21.164 -20.817 153 HA SER 23 HA SER 23 9.395 -18.971 -22.029 154 HB2 SER 23 2HB SER 23 6.936 -18.475 -21.839 155 HB3 SER 23 3HB SER 23 7.101 -18.616 -20.088 156 HG SER 23 HG SER 23 7.829 -16.572 -21.760 157 H PHE 24 H PHE 24 8.521 -20.725 -19.112 158 HA PHE 24 HA PHE 24 10.028 -19.287 -17.251 159 HB2 PHE 24 2HB PHE 24 8.462 -20.890 -16.442 160 HB3 PHE 24 3HB PHE 24 9.217 -22.191 -17.355 161 HD1 PHE 24 HD2 PHE 24 10.824 -19.614 -15.220 162 HD2 PHE 24 HD1 PHE 24 9.843 -23.725 -15.727 163 HE1 PHE 24 HE2 PHE 24 12.202 -20.181 -13.262 164 HE2 PHE 24 HE1 PHE 24 11.219 -24.298 -13.770 165 HZ PHE 24 HZ PHE 24 12.402 -22.526 -12.535 166 H ASN 25 H ASN 25 12.043 -18.712 -17.995 167 HA ASN 25 HA ASN 25 13.911 -20.901 -18.610 168 HB2 ASN 25 2HB ASN 25 13.478 -18.890 -20.224 169 HB3 ASN 25 3HB ASN 25 14.526 -18.008 -19.117 170 HD21 ASN 25 1HD2 ASN 25 16.489 -17.870 -19.904 171 HD22 ASN 25 2HD2 ASN 25 17.351 -19.121 -20.727 172 H TYR 26 H TYR 26 16.257 -20.283 -17.979 173 HA TYR 26 HA TYR 26 16.376 -20.163 -15.165 174 HB2 TYR 26 2HB TYR 26 18.860 -19.984 -15.537 175 HB3 TYR 26 3HB TYR 26 18.091 -21.351 -16.335 176 HD1 TYR 26 HD2 TYR 26 19.088 -17.817 -17.020 177 HD2 TYR 26 HD1 TYR 26 18.574 -21.748 -18.563 178 HE1 TYR 26 HE2 TYR 26 20.045 -17.093 -19.167 179 HE2 TYR 26 HE1 TYR 26 19.531 -21.036 -20.714 180 HH TYR 26 HH TYR 26 19.890 -17.865 -21.605 181 H LYS 27 H LYS 27 16.299 -17.722 -17.563 182 HA LYS 27 HA LYS 27 17.664 -15.673 -16.138 183 HB2 LYS 27 2HB LYS 27 15.938 -15.827 -18.551 184 HB3 LYS 27 3HB LYS 27 16.071 -14.259 -17.767 185 HG2 LYS 27 2HG LYS 27 18.537 -15.811 -18.414 186 HG3 LYS 27 3HG LYS 27 17.707 -14.895 -19.674 187 HD2 LYS 27 2HD LYS 27 17.788 -13.010 -17.792 188 HD3 LYS 27 3HD LYS 27 19.202 -13.942 -17.295 189 HE2 LYS 27 2HE LYS 27 18.773 -13.010 -20.124 190 HE3 LYS 27 3HE LYS 27 19.613 -12.037 -18.917 191 HZ1 LYS 27 3HZ LYS 27 20.515 -14.788 -19.236 192 HZ2 LYS 27 1HZ LYS 27 21.410 -13.380 -18.950 193 HZ3 LYS 27 2HZ LYS 27 20.860 -13.730 -20.511 194 H SER 28 H SER 28 14.300 -16.705 -16.341 195 HA SER 28 HA SER 28 13.221 -14.519 -14.886 196 HB2 SER 28 2HB SER 28 12.125 -16.507 -16.363 197 HB3 SER 28 3HB SER 28 11.809 -17.117 -14.739 198 HG SER 28 HG SER 28 11.252 -14.433 -15.219 199 H PHE 29 H PHE 29 14.525 -17.647 -13.978 200 HA PHE 29 HA PHE 29 13.658 -17.532 -11.259 201 HB2 PHE 29 2HB PHE 29 14.103 -19.691 -12.202 202 HB3 PHE 29 3HB PHE 29 15.733 -19.216 -12.666 203 HD1 PHE 29 HD1 PHE 29 17.465 -18.893 -10.926 204 HD2 PHE 29 HD2 PHE 29 13.619 -20.480 -10.025 205 HE1 PHE 29 HE1 PHE 29 18.327 -19.762 -8.791 206 HE2 PHE 29 HE2 PHE 29 14.475 -21.350 -7.889 207 HZ PHE 29 HZ PHE 29 16.831 -20.991 -7.269 208 H PHE 30 H PHE 30 16.488 -16.473 -13.013 209 HA PHE 30 HA PHE 30 18.096 -15.985 -10.699 210 HB2 PHE 30 2HB PHE 30 19.076 -16.385 -12.931 211 HB3 PHE 30 3HB PHE 30 18.369 -14.877 -13.502 212 HD1 PHE 30 HD1 PHE 30 19.100 -12.719 -12.385 213 HD2 PHE 30 HD2 PHE 30 21.161 -16.411 -11.891 214 HE1 PHE 30 HE1 PHE 30 21.104 -11.498 -11.642 215 HE2 PHE 30 HE2 PHE 30 23.167 -15.196 -11.148 216 HZ PHE 30 HZ PHE 30 23.140 -12.737 -11.021 217 H SER 31 H SER 31 16.464 -13.796 -12.995 218 HA SER 31 HA SER 31 16.684 -11.626 -11.054 219 HB2 SER 31 2HB SER 31 15.551 -10.373 -13.079 220 HB3 SER 31 3HB SER 31 17.268 -10.771 -13.124 221 HG SER 31 HG SER 31 15.950 -11.342 -15.031 222 H THR 32 H THR 32 14.964 -13.679 -10.291 223 HA THR 32 HA THR 32 12.303 -13.510 -10.947 224 HB THR 32 HB THR 32 12.656 -13.725 -8.059 225 HG1 THR 32 HG1 THR 32 14.144 -15.491 -9.733 226 HG21 THR 32 3HG2 THR 32 12.003 -16.192 -9.293 227 HG22 THR 32 1HG2 THR 32 11.162 -14.918 -10.175 228 HG23 THR 32 2HG2 THR 32 10.933 -15.085 -8.434 229 H VAL 33 H VAL 33 10.510 -12.579 -9.593 230 HA VAL 33 HA VAL 33 10.466 -9.834 -9.691 231 HB VAL 33 HB VAL 33 8.415 -11.075 -9.476 232 HG11 VAL 33 1HG1 VAL 33 8.409 -11.644 -6.661 233 HG12 VAL 33 2HG1 VAL 33 8.133 -12.732 -8.022 234 HG13 VAL 33 3HG1 VAL 33 9.773 -12.443 -7.441 235 HG21 VAL 33 3HG2 VAL 33 8.624 -8.710 -8.554 236 HG22 VAL 33 1HG2 VAL 33 7.235 -9.656 -8.018 237 HG23 VAL 33 2HG2 VAL 33 8.627 -9.452 -6.954 238 H GLY 34 H GLY 34 11.598 -11.903 -7.096 239 HA2 GLY 34 2HA GLY 34 13.403 -10.898 -5.728 240 HA3 GLY 34 3HA GLY 34 12.380 -9.474 -5.603 241 H LEU 35 H LEU 35 9.937 -11.060 -5.252 242 HA LEU 35 HA LEU 35 9.723 -11.081 -2.513 243 HB2 LEU 35 2HB LEU 35 8.066 -11.658 -4.636 244 HB3 LEU 35 3HB LEU 35 8.137 -13.185 -3.759 245 HG LEU 35 HG LEU 35 7.067 -10.537 -2.839 246 HD11 LEU 35 1HD1 LEU 35 6.013 -13.260 -3.367 247 HD12 LEU 35 2HD1 LEU 35 5.299 -11.683 -3.701 248 HD13 LEU 35 3HD1 LEU 35 5.282 -12.328 -2.060 249 HD21 LEU 35 3HD2 LEU 35 6.749 -11.999 -0.646 250 HD22 LEU 35 1HD2 LEU 35 8.172 -10.990 -0.904 251 HD23 LEU 35 2HD2 LEU 35 8.251 -12.723 -1.221 252 H SER 36 H SER 36 10.242 -13.939 -4.583 253 HA SER 36 HA SER 36 10.623 -15.737 -2.439 254 HB2 SER 36 2HB SER 36 11.841 -16.135 -5.162 255 HB3 SER 36 3HB SER 36 11.174 -17.343 -4.063 256 HG SER 36 HG SER 36 9.940 -15.991 -6.016 257 H SER 37 H SER 37 12.666 -13.396 -3.876 258 HA SER 37 HA SER 37 15.024 -14.577 -2.564 259 HB2 SER 37 2HB SER 37 15.346 -12.349 -4.510 260 HB3 SER 37 3HB SER 37 16.370 -13.756 -4.229 261 HG SER 37 HG SER 37 15.350 -14.747 -5.765 262 H LYS 38 H LYS 38 12.966 -13.047 -1.212 263 HA LYS 38 HA LYS 38 14.401 -10.568 -0.552 264 HB2 LYS 38 2HB LYS 38 11.541 -11.402 -0.418 265 HB3 LYS 38 3HB LYS 38 12.116 -10.232 0.762 266 HG2 LYS 38 2HG LYS 38 12.888 -9.635 -1.997 267 HG3 LYS 38 3HG LYS 38 11.148 -9.621 -1.701 268 HD2 LYS 38 2HD LYS 38 11.339 -7.950 -0.051 269 HD3 LYS 38 3HD LYS 38 13.085 -8.168 0.081 270 HE2 LYS 38 2HE LYS 38 13.353 -7.299 -2.198 271 HE3 LYS 38 3HE LYS 38 11.609 -7.067 -2.310 272 HZ1 LYS 38 3HZ LYS 38 11.841 -5.581 -0.317 273 HZ2 LYS 38 1HZ LYS 38 12.530 -4.991 -1.745 274 HZ3 LYS 38 2HZ LYS 38 13.516 -5.650 -0.541 275 H THR 39 H THR 39 13.823 -9.957 1.897 276 HA THR 39 HA THR 39 15.034 -12.087 3.473 277 HB THR 39 HB THR 39 15.273 -9.288 3.491 278 HG1 THR 39 HG1 THR 39 16.600 -9.988 5.479 279 HG21 THR 39 3HG2 THR 39 14.716 -8.643 5.748 280 HG22 THR 39 1HG2 THR 39 14.142 -10.269 6.113 281 HG23 THR 39 2HG2 THR 39 13.266 -9.262 4.960 282 HA PRO 40 HA PRO 40 11.411 -13.294 5.639 283 HB2 PRO 40 2HB PRO 40 12.406 -13.810 8.112 284 HB3 PRO 40 3HB PRO 40 12.712 -14.851 6.717 285 HG2 PRO 40 2HG PRO 40 14.461 -12.745 7.928 286 HG3 PRO 40 3HG PRO 40 14.897 -14.362 7.344 287 HD2 PRO 40 2HD PRO 40 15.330 -12.121 5.887 288 HD3 PRO 40 3HD PRO 40 14.956 -13.688 5.141 289 H ASP 41 H ASP 41 10.705 -10.943 5.414 290 HA ASP 41 HA ASP 41 9.569 -10.059 7.801 291 HB2 ASP 41 2HB ASP 41 12.223 -9.373 7.784 292 HB3 ASP 41 3HB ASP 41 11.471 -7.928 7.114 293 H GLN 42 H GLN 42 10.703 -9.288 4.584 294 HA GLN 42 HA GLN 42 8.736 -7.179 4.245 295 HB2 GLN 42 2HB GLN 42 10.602 -8.367 2.188 296 HB3 GLN 42 3HB GLN 42 9.712 -6.856 2.057 297 HG2 GLN 42 2HG GLN 42 11.013 -6.023 4.026 298 HG3 GLN 42 3HG GLN 42 12.001 -7.478 3.902 299 HE21 GLN 42 1HE2 GLN 42 10.987 -4.572 2.209 300 HE22 GLN 42 2HE2 GLN 42 12.369 -4.467 1.177 301 H ILE 43 H ILE 43 9.207 -10.530 3.390 302 HA ILE 43 HA ILE 43 7.369 -10.830 1.334 303 HB ILE 43 HB ILE 43 8.021 -12.784 3.541 304 HG12 ILE 43 2HG1 ILE 43 9.106 -12.567 0.725 305 HG13 ILE 43 3HG1 ILE 43 9.948 -12.014 2.168 306 HG21 ILE 43 1HG2 ILE 43 7.314 -14.137 1.188 307 HG22 ILE 43 2HG2 ILE 43 6.426 -14.084 2.709 308 HG23 ILE 43 3HG2 ILE 43 6.074 -12.910 1.441 309 HD11 ILE 43 3HD1 ILE 43 10.520 -14.318 1.150 310 HD12 ILE 43 1HD1 ILE 43 10.369 -14.157 2.900 311 HD13 ILE 43 2HD1 ILE 43 9.046 -14.849 1.960 312 H LYS 44 H LYS 44 6.821 -11.137 4.838 313 HA LYS 44 HA LYS 44 4.141 -11.784 4.829 314 HB2 LYS 44 2HB LYS 44 4.078 -10.508 7.049 315 HB3 LYS 44 3HB LYS 44 5.227 -11.832 6.912 316 HG2 LYS 44 2HG LYS 44 7.036 -10.282 6.543 317 HG3 LYS 44 3HG LYS 44 5.910 -8.924 6.533 318 HD2 LYS 44 2HD LYS 44 6.781 -8.878 8.691 319 HD3 LYS 44 3HD LYS 44 5.254 -9.740 8.892 320 HE2 LYS 44 2HE LYS 44 6.338 -11.827 9.045 321 HE3 LYS 44 3HE LYS 44 7.855 -11.173 8.428 322 HZ1 LYS 44 3HZ LYS 44 8.454 -10.457 10.446 323 HZ2 LYS 44 1HZ LYS 44 7.297 -11.546 11.028 324 HZ3 LYS 44 2HZ LYS 44 6.903 -9.911 10.844 325 H LYS 45 H LYS 45 5.620 -8.568 4.654 326 HA LYS 45 HA LYS 45 3.265 -7.057 4.751 327 HB2 LYS 45 2HB LYS 45 6.042 -6.599 3.792 328 HB3 LYS 45 3HB LYS 45 4.807 -5.475 3.240 329 HG2 LYS 45 2HG LYS 45 4.220 -4.970 5.551 330 HG3 LYS 45 3HG LYS 45 5.440 -6.114 6.115 331 HD2 LYS 45 2HD LYS 45 6.101 -3.771 4.345 332 HD3 LYS 45 3HD LYS 45 6.104 -3.665 6.107 333 HE2 LYS 45 2HE LYS 45 7.637 -5.781 5.924 334 HE3 LYS 45 3HE LYS 45 7.917 -5.188 4.288 335 HZ1 LYS 45 3HZ LYS 45 9.415 -3.822 5.145 336 HZ2 LYS 45 1HZ LYS 45 9.005 -4.255 6.728 337 HZ3 LYS 45 2HZ LYS 45 8.177 -3.001 5.954 338 H VAL 46 H VAL 46 4.748 -8.847 2.159 339 HA VAL 46 HA VAL 46 3.200 -7.625 0.068 340 HB VAL 46 HB VAL 46 4.826 -10.171 0.072 341 HG11 VAL 46 1HG1 VAL 46 3.172 -8.850 -2.003 342 HG12 VAL 46 2HG1 VAL 46 4.726 -9.519 -2.504 343 HG13 VAL 46 3HG1 VAL 46 3.520 -10.560 -1.748 344 HG21 VAL 46 3HG2 VAL 46 6.238 -8.275 0.440 345 HG22 VAL 46 1HG2 VAL 46 6.428 -8.774 -1.241 346 HG23 VAL 46 2HG2 VAL 46 5.442 -7.367 -0.846 347 H PHE 47 H PHE 47 2.738 -10.180 2.327 348 HA PHE 47 HA PHE 47 0.685 -11.521 0.803 349 HB2 PHE 47 2HB PHE 47 1.569 -13.110 2.161 350 HB3 PHE 47 3HB PHE 47 2.065 -11.939 3.378 351 HD1 PHE 47 HD2 PHE 47 -0.866 -13.785 2.064 352 HD2 PHE 47 HD1 PHE 47 0.820 -11.638 5.330 353 HE1 PHE 47 HE2 PHE 47 -2.755 -14.468 3.484 354 HE2 PHE 47 HE1 PHE 47 -1.066 -12.319 6.756 355 HZ PHE 47 HZ PHE 47 -2.858 -13.734 5.833 356 H GLY 48 H GLY 48 0.882 -8.927 3.067 357 HA2 GLY 48 2HA GLY 48 -1.807 -9.047 4.019 358 HA3 GLY 48 3HA GLY 48 -0.718 -7.673 4.151 359 H ILE 49 H ILE 49 -0.598 -8.297 1.002 360 HA ILE 49 HA ILE 49 -2.674 -6.324 0.407 361 HB ILE 49 HB ILE 49 -0.545 -7.361 -1.461 362 HG12 ILE 49 2HG1 ILE 49 -0.478 -4.852 0.229 363 HG13 ILE 49 3HG1 ILE 49 0.429 -6.318 0.583 364 HG21 ILE 49 1HG2 ILE 49 -2.446 -5.036 -1.532 365 HG22 ILE 49 2HG2 ILE 49 -1.005 -5.108 -2.544 366 HG23 ILE 49 3HG2 ILE 49 -2.258 -6.338 -2.706 367 HD11 ILE 49 3HD1 ILE 49 0.915 -5.455 -2.114 368 HD12 ILE 49 1HD1 ILE 49 1.241 -4.156 -0.967 369 HD13 ILE 49 2HD1 ILE 49 2.052 -5.712 -0.790 370 H LEU 50 H LEU 50 -2.172 -9.651 0.267 371 HA LEU 50 HA LEU 50 -3.778 -10.143 -2.085 372 HB2 LEU 50 2HB LEU 50 -3.208 -12.287 -0.114 373 HB3 LEU 50 3HB LEU 50 -3.200 -12.341 -1.875 374 HG LEU 50 HG LEU 50 -1.044 -11.171 -0.117 375 HD11 LEU 50 1HD1 LEU 50 -1.212 -13.702 -1.738 376 HD12 LEU 50 2HD1 LEU 50 -0.973 -13.547 0.002 377 HD13 LEU 50 3HD1 LEU 50 0.296 -13.037 -1.111 378 HD21 LEU 50 3HD2 LEU 50 -0.022 -11.460 -2.646 379 HD22 LEU 50 1HD2 LEU 50 -0.562 -9.946 -1.921 380 HD23 LEU 50 2HD2 LEU 50 -1.656 -10.869 -2.953 381 H ASP 51 H ASP 51 -4.124 -10.746 1.409 382 HA ASP 51 HA ASP 51 -6.619 -11.835 1.517 383 HB2 ASP 51 2HB ASP 51 -5.657 -9.680 3.406 384 HB3 ASP 51 3HB ASP 51 -6.829 -10.948 3.752 385 H GLN 52 H GLN 52 -8.732 -10.920 2.004 386 HA GLN 52 HA GLN 52 -9.243 -8.567 0.349 387 HB2 GLN 52 2HB GLN 52 -11.607 -9.269 0.464 388 HB3 GLN 52 3HB GLN 52 -10.562 -10.537 -0.164 389 HG2 GLN 52 2HG GLN 52 -10.543 -11.561 2.096 390 HG3 GLN 52 3HG GLN 52 -11.719 -10.351 2.606 391 HE21 GLN 52 1HE2 GLN 52 -12.560 -12.764 2.984 392 HE22 GLN 52 2HE2 GLN 52 -13.680 -13.288 1.778 393 H ASP 53 H ASP 53 -9.957 -9.821 3.590 394 HA ASP 53 HA ASP 53 -10.522 -7.054 4.436 395 HB2 ASP 53 2HB ASP 53 -12.439 -8.824 4.442 396 HB3 ASP 53 3HB ASP 53 -11.636 -9.431 5.888 397 H LYS 54 H LYS 54 -8.519 -9.738 4.769 398 HA LYS 54 HA LYS 54 -6.755 -10.215 6.123 399 HB2 LYS 54 2HB LYS 54 -7.128 -7.398 7.155 400 HB3 LYS 54 3HB LYS 54 -5.687 -8.390 7.331 401 HG2 LYS 54 2HG LYS 54 -6.600 -7.980 4.567 402 HG3 LYS 54 3HG LYS 54 -6.030 -6.535 5.406 403 HD2 LYS 54 2HD LYS 54 -4.385 -8.998 5.624 404 HD3 LYS 54 3HD LYS 54 -4.384 -8.146 4.078 405 HE2 LYS 54 2HE LYS 54 -3.767 -6.898 6.755 406 HE3 LYS 54 3HE LYS 54 -2.563 -7.416 5.576 407 HZ1 LYS 54 3HZ LYS 54 -2.735 -5.409 4.685 408 HZ2 LYS 54 1HZ LYS 54 -4.047 -5.001 5.672 409 HZ3 LYS 54 2HZ LYS 54 -4.310 -5.790 4.200 410 H SER 55 H SER 55 -9.244 -11.071 6.985 411 HA SER 55 HA SER 55 -9.831 -10.397 9.665 412 HB2 SER 55 2HB SER 55 -11.278 -11.660 7.912 413 HB3 SER 55 3HB SER 55 -10.441 -13.099 8.495 414 HG SER 55 HG SER 55 -12.284 -11.453 9.791 415 H GLY 56 H GLY 56 -7.707 -12.788 8.204 416 HA2 GLY 56 2HA GLY 56 -5.957 -12.982 10.337 417 HA3 GLY 56 3HA GLY 56 -7.167 -14.230 10.599 418 H PHE 57 H PHE 57 -7.632 -14.911 7.892 419 HA PHE 57 HA PHE 57 -5.073 -15.680 6.766 420 HB2 PHE 57 2HB PHE 57 -7.058 -17.801 7.608 421 HB3 PHE 57 3HB PHE 57 -5.514 -18.069 6.805 422 HD1 PHE 57 HD2 PHE 57 -7.163 -17.225 9.955 423 HD2 PHE 57 HD1 PHE 57 -3.434 -17.904 8.018 424 HE1 PHE 57 HE2 PHE 57 -6.062 -17.410 12.147 425 HE2 PHE 57 HE1 PHE 57 -2.327 -18.091 10.207 426 HZ PHE 57 HZ PHE 57 -3.641 -17.843 12.276 427 H ILE 58 H ILE 58 -5.452 -17.058 4.738 428 HA ILE 58 HA ILE 58 -7.858 -16.052 3.364 429 HB ILE 58 HB ILE 58 -5.065 -16.479 2.328 430 HG12 ILE 58 2HG1 ILE 58 -6.884 -14.094 2.011 431 HG13 ILE 58 3HG1 ILE 58 -5.823 -14.289 3.402 432 HG21 ILE 58 1HG2 ILE 58 -6.284 -17.450 0.607 433 HG22 ILE 58 2HG2 ILE 58 -7.648 -16.354 0.823 434 HG23 ILE 58 3HG2 ILE 58 -6.152 -15.767 0.097 435 HD11 ILE 58 3HD1 ILE 58 -4.362 -14.675 0.960 436 HD12 ILE 58 1HD1 ILE 58 -5.209 -13.128 0.948 437 HD13 ILE 58 2HD1 ILE 58 -4.096 -13.515 2.261 438 H GLU 59 H GLU 59 -9.184 -17.490 2.442 439 HA GLU 59 HA GLU 59 -8.422 -20.315 2.553 440 HB2 GLU 59 2HB GLU 59 -11.127 -19.024 2.155 441 HB3 GLU 59 3HB GLU 59 -10.838 -20.755 2.253 442 HG2 GLU 59 2HG GLU 59 -10.008 -20.484 4.537 443 HG3 GLU 59 3HG GLU 59 -10.315 -18.751 4.438 444 H GLU 60 H GLU 60 -9.396 -21.695 0.750 445 HA GLU 60 HA GLU 60 -8.166 -21.136 -1.653 446 HB2 GLU 60 2HB GLU 60 -9.163 -23.345 -0.825 447 HB3 GLU 60 3HB GLU 60 -10.692 -22.768 -1.473 448 HG2 GLU 60 2HG GLU 60 -8.392 -22.648 -3.307 449 HG3 GLU 60 3HG GLU 60 -8.944 -24.261 -2.857 450 H GLU 61 H GLU 61 -11.247 -20.056 -0.477 451 HA GLU 61 HA GLU 61 -12.432 -19.337 -2.931 452 HB2 GLU 61 2HB GLU 61 -12.847 -18.022 -0.243 453 HB3 GLU 61 3HB GLU 61 -13.945 -17.975 -1.615 454 HG2 GLU 61 2HG GLU 61 -13.165 -20.525 -0.234 455 HG3 GLU 61 3HG GLU 61 -14.556 -19.553 0.246 456 H GLU 62 H GLU 62 -10.507 -17.455 -0.611 457 HA GLU 62 HA GLU 62 -10.438 -15.190 -2.433 458 HB2 GLU 62 2HB GLU 62 -9.864 -15.647 0.413 459 HB3 GLU 62 3HB GLU 62 -8.747 -14.543 -0.378 460 HG2 GLU 62 2HG GLU 62 -10.561 -13.316 0.628 461 HG3 GLU 62 3HG GLU 62 -10.637 -13.178 -1.127 462 H LEU 63 H LEU 63 -8.747 -18.013 -2.076 463 HA LEU 63 HA LEU 63 -6.091 -17.024 -2.555 464 HB2 LEU 63 2HB LEU 63 -6.940 -19.286 -1.495 465 HB3 LEU 63 3HB LEU 63 -6.877 -19.829 -3.170 466 HG LEU 63 HG LEU 63 -4.477 -19.202 -3.232 467 HD11 LEU 63 1HD1 LEU 63 -5.137 -17.928 -0.783 468 HD12 LEU 63 2HD1 LEU 63 -3.603 -17.922 -1.652 469 HD13 LEU 63 3HD1 LEU 63 -3.932 -19.173 -0.453 470 HD21 LEU 63 3HD2 LEU 63 -3.945 -21.276 -2.588 471 HD22 LEU 63 1HD2 LEU 63 -5.658 -21.451 -2.205 472 HD23 LEU 63 2HD2 LEU 63 -4.513 -21.008 -0.939 473 H GLN 64 H GLN 64 -8.810 -17.975 -4.486 474 HA GLN 64 HA GLN 64 -7.416 -18.464 -6.908 475 HB2 GLN 64 2HB GLN 64 -9.531 -18.540 -7.948 476 HB3 GLN 64 3HB GLN 64 -9.797 -19.156 -6.322 477 HG2 GLN 64 2HG GLN 64 -10.662 -16.976 -5.637 478 HG3 GLN 64 3HG GLN 64 -10.404 -16.365 -7.270 479 HE21 GLN 64 1HE2 GLN 64 -12.648 -17.582 -5.212 480 HE22 GLN 64 2HE2 GLN 64 -13.809 -18.160 -6.353 481 H LEU 65 H LEU 65 -7.739 -15.674 -5.173 482 HA LEU 65 HA LEU 65 -7.751 -13.946 -7.547 483 HB2 LEU 65 2HB LEU 65 -7.792 -12.919 -4.743 484 HB3 LEU 65 3HB LEU 65 -8.439 -12.187 -6.209 485 HG LEU 65 HG LEU 65 -9.646 -14.627 -4.921 486 HD11 LEU 65 1HD1 LEU 65 -11.287 -13.160 -3.911 487 HD12 LEU 65 2HD1 LEU 65 -10.458 -11.746 -4.560 488 HD13 LEU 65 3HD1 LEU 65 -9.670 -12.746 -3.341 489 HD21 LEU 65 3HD2 LEU 65 -11.201 -12.720 -6.554 490 HD22 LEU 65 1HD2 LEU 65 -11.287 -14.480 -6.468 491 HD23 LEU 65 2HD2 LEU 65 -10.015 -13.704 -7.412 492 H PHE 66 H PHE 66 -5.501 -15.637 -6.350 493 HA PHE 66 HA PHE 66 -3.552 -13.897 -5.288 494 HB2 PHE 66 2HB PHE 66 -3.319 -16.280 -5.000 495 HB3 PHE 66 3HB PHE 66 -3.280 -16.533 -6.742 496 HD1 PHE 66 HD1 PHE 66 -1.407 -15.230 -3.856 497 HD2 PHE 66 HD2 PHE 66 -1.277 -16.244 -7.988 498 HE1 PHE 66 HE1 PHE 66 1.047 -15.048 -3.820 499 HE2 PHE 66 HE2 PHE 66 1.176 -16.065 -7.958 500 HZ PHE 66 HZ PHE 66 2.342 -15.467 -5.873 501 H LEU 67 H LEU 67 -4.684 -14.426 -8.491 502 HA LEU 67 HA LEU 67 -2.330 -13.234 -9.721 503 HB2 LEU 67 2HB LEU 67 -4.845 -14.483 -10.758 504 HB3 LEU 67 3HB LEU 67 -3.835 -13.497 -11.814 505 HG LEU 67 HG LEU 67 -2.884 -15.962 -10.358 506 HD11 LEU 67 1HD1 LEU 67 -4.647 -15.915 -12.457 507 HD12 LEU 67 2HD1 LEU 67 -3.572 -17.250 -12.045 508 HD13 LEU 67 3HD1 LEU 67 -3.085 -16.071 -13.263 509 HD21 LEU 67 3HD2 LEU 67 -1.165 -15.652 -12.356 510 HD22 LEU 67 1HD2 LEU 67 -0.942 -14.862 -10.795 511 HD23 LEU 67 2HD2 LEU 67 -1.624 -13.961 -12.149 512 H LYS 68 H LYS 68 -4.849 -12.038 -8.079 513 HA LYS 68 HA LYS 68 -5.382 -9.785 -9.867 514 HB2 LYS 68 2HB LYS 68 -6.607 -10.416 -7.176 515 HB3 LYS 68 3HB LYS 68 -7.150 -9.184 -8.308 516 HG2 LYS 68 2HG LYS 68 -7.108 -12.119 -8.961 517 HG3 LYS 68 3HG LYS 68 -8.504 -11.293 -8.265 518 HD2 LYS 68 2HD LYS 68 -7.582 -9.772 -10.485 519 HD3 LYS 68 3HD LYS 68 -7.722 -11.458 -10.989 520 HE2 LYS 68 2HE LYS 68 -9.888 -10.983 -11.303 521 HE3 LYS 68 3HE LYS 68 -10.015 -11.102 -9.549 522 HZ1 LYS 68 3HZ LYS 68 -10.459 -8.864 -11.175 523 HZ2 LYS 68 1HZ LYS 68 -9.135 -8.527 -10.177 524 HZ3 LYS 68 2HZ LYS 68 -10.613 -8.987 -9.495 525 H ASN 69 H ASN 69 -3.473 -10.638 -7.167 526 HA ASN 69 HA ASN 69 -3.141 -7.903 -6.244 527 HB2 ASN 69 2HB ASN 69 -1.461 -10.201 -5.299 528 HB3 ASN 69 3HB ASN 69 -2.002 -8.781 -4.410 529 HD21 ASN 69 1HD2 ASN 69 -4.586 -8.684 -4.555 530 HD22 ASN 69 2HD2 ASN 69 -5.343 -10.132 -3.994 531 H PHE 70 H PHE 70 -1.796 -9.931 -8.580 532 HA PHE 70 HA PHE 70 0.661 -8.307 -8.677 533 HB2 PHE 70 2HB PHE 70 0.190 -11.131 -9.651 534 HB3 PHE 70 3HB PHE 70 1.664 -10.212 -9.940 535 HD1 PHE 70 HD2 PHE 70 -0.497 -11.511 -7.212 536 HD2 PHE 70 HD1 PHE 70 3.396 -10.267 -8.400 537 HE1 PHE 70 HE2 PHE 70 0.406 -12.295 -5.061 538 HE2 PHE 70 HE1 PHE 70 4.306 -11.049 -6.252 539 HZ PHE 70 HZ PHE 70 2.810 -12.064 -4.579 540 H SER 71 H SER 71 -1.662 -10.048 -10.737 541 HA SER 71 HA SER 71 -1.095 -8.105 -12.876 542 HB2 SER 71 2HB SER 71 -0.786 -10.725 -13.142 543 HB3 SER 71 3HB SER 71 -2.524 -10.669 -13.436 544 HG SER 71 HG SER 71 -1.591 -10.385 -15.399 545 H SER 72 H SER 72 -2.919 -7.476 -14.234 546 HA SER 72 HA SER 72 -5.445 -7.424 -12.715 547 HB2 SER 72 2HB SER 72 -4.057 -5.236 -13.086 548 HB3 SER 72 3HB SER 72 -4.730 -5.304 -14.714 549 HG SER 72 HG SER 72 -5.921 -4.594 -12.375 550 H SER 73 H SER 73 -4.284 -9.156 -14.992 551 HA SER 73 HA SER 73 -6.548 -8.822 -16.849 552 HB2 SER 73 2HB SER 73 -4.142 -8.537 -17.731 553 HB3 SER 73 3HB SER 73 -4.003 -10.283 -17.532 554 HG SER 73 HG SER 73 -5.832 -10.485 -18.918 555 H ALA 74 H ALA 74 -4.612 -11.099 -14.999 556 HA ALA 74 HA ALA 74 -6.004 -13.434 -15.852 557 HB1 ALA 74 1HB ALA 74 -3.917 -13.942 -15.032 558 HB2 ALA 74 2HB ALA 74 -4.051 -12.811 -13.684 559 HB3 ALA 74 3HB ALA 74 -4.933 -14.338 -13.645 560 H ARG 75 H ARG 75 -8.108 -13.697 -15.470 561 HA ARG 75 HA ARG 75 -9.705 -12.419 -13.653 562 HB2 ARG 75 2HB ARG 75 -11.018 -14.748 -13.770 563 HB3 ARG 75 3HB ARG 75 -10.994 -13.604 -15.105 564 HG2 ARG 75 2HG ARG 75 -9.708 -14.935 -16.405 565 HG3 ARG 75 3HG ARG 75 -8.819 -15.601 -15.034 566 HD2 ARG 75 2HD ARG 75 -10.610 -17.073 -14.489 567 HD3 ARG 75 3HD ARG 75 -11.693 -16.272 -15.626 568 HE ARG 75 HE ARG 75 -9.689 -17.153 -17.209 569 HH11 ARG 75 1HH1 ARG 75 -11.696 -18.697 -14.820 570 HH12 ARG 75 2HH1 ARG 75 -11.644 -20.248 -15.589 571 HH21 ARG 75 1HH2 ARG 75 -9.612 -19.190 -18.231 572 HH22 ARG 75 2HH2 ARG 75 -10.457 -20.528 -17.529 573 H VAL 76 H VAL 76 -8.948 -15.856 -13.160 574 HA VAL 76 HA VAL 76 -8.034 -15.376 -10.458 575 HB VAL 76 HB VAL 76 -9.757 -17.064 -9.566 576 HG11 VAL 76 1HG1 VAL 76 -9.607 -14.526 -9.185 577 HG12 VAL 76 2HG1 VAL 76 -10.961 -14.421 -10.312 578 HG13 VAL 76 3HG1 VAL 76 -11.129 -15.336 -8.813 579 HG21 VAL 76 3HG2 VAL 76 -11.267 -16.087 -11.989 580 HG22 VAL 76 1HG2 VAL 76 -10.631 -17.718 -11.774 581 HG23 VAL 76 2HG2 VAL 76 -11.898 -17.117 -10.704 582 H LEU 77 H LEU 77 -7.323 -17.375 -9.391 583 HA LEU 77 HA LEU 77 -5.680 -18.932 -10.969 584 HB2 LEU 77 2HB LEU 77 -6.926 -19.722 -8.340 585 HB3 LEU 77 3HB LEU 77 -5.486 -20.437 -9.061 586 HG LEU 77 HG LEU 77 -5.817 -17.759 -7.759 587 HD11 LEU 77 1HD1 LEU 77 -3.546 -18.615 -6.827 588 HD12 LEU 77 2HD1 LEU 77 -4.111 -20.184 -7.398 589 HD13 LEU 77 3HD1 LEU 77 -5.055 -19.287 -6.209 590 HD21 LEU 77 3HD2 LEU 77 -3.630 -18.572 -9.671 591 HD22 LEU 77 1HD2 LEU 77 -3.573 -17.167 -8.606 592 HD23 LEU 77 2HD2 LEU 77 -4.786 -17.256 -9.883 593 H THR 78 H THR 78 -5.771 -21.315 -11.291 594 HA THR 78 HA THR 78 -8.506 -22.183 -11.969 595 HB THR 78 HB THR 78 -6.999 -21.645 -13.943 596 HG1 THR 78 HG1 THR 78 -7.544 -23.852 -14.890 597 HG21 THR 78 3HG2 THR 78 -5.014 -22.817 -12.744 598 HG22 THR 78 1HG2 THR 78 -5.191 -22.999 -14.489 599 HG23 THR 78 2HG2 THR 78 -5.707 -24.295 -13.411 600 H SER 79 H SER 79 -8.062 -24.766 -12.657 601 HA SER 79 HA SER 79 -7.695 -26.002 -10.099 602 HB2 SER 79 2HB SER 79 -9.355 -26.715 -11.901 603 HB3 SER 79 3HB SER 79 -7.982 -27.436 -12.741 604 HG SER 79 HG SER 79 -9.402 -28.440 -10.724 605 H ALA 80 H ALA 80 -5.365 -24.948 -10.282 606 HA ALA 80 HA ALA 80 -3.528 -27.065 -10.260 607 HB1 ALA 80 1HB ALA 80 -2.373 -25.557 -12.366 608 HB2 ALA 80 2HB ALA 80 -2.844 -27.257 -12.360 609 HB3 ALA 80 3HB ALA 80 -4.001 -26.023 -12.859 610 H GLU 81 H GLU 81 -4.003 -23.600 -10.719 611 HA GLU 81 HA GLU 81 -1.457 -22.907 -9.572 612 HB2 GLU 81 2HB GLU 81 -3.870 -21.202 -10.211 613 HB3 GLU 81 3HB GLU 81 -2.306 -20.582 -9.703 614 HG2 GLU 81 2HG GLU 81 -1.374 -21.835 -11.739 615 HG3 GLU 81 3HG GLU 81 -3.051 -21.913 -12.276 616 H THR 82 H THR 82 -4.848 -22.617 -8.535 617 HA THR 82 HA THR 82 -4.316 -21.566 -5.984 618 HB THR 82 HB THR 82 -6.677 -23.306 -6.133 619 HG1 THR 82 HG1 THR 82 -7.628 -22.342 -7.836 620 HG21 THR 82 3HG2 THR 82 -6.982 -20.396 -5.913 621 HG22 THR 82 1HG2 THR 82 -5.918 -21.110 -4.701 622 HG23 THR 82 2HG2 THR 82 -7.579 -21.681 -4.863 623 H LYS 83 H LYS 83 -4.544 -24.878 -7.161 624 HA LYS 83 HA LYS 83 -4.431 -26.092 -4.582 625 HB2 LYS 83 2HB LYS 83 -3.736 -27.296 -7.266 626 HB3 LYS 83 3HB LYS 83 -4.098 -28.179 -5.789 627 HG2 LYS 83 2HG LYS 83 -6.348 -26.770 -5.976 628 HG3 LYS 83 3HG LYS 83 -5.915 -26.821 -7.686 629 HD2 LYS 83 2HD LYS 83 -5.949 -29.184 -7.722 630 HD3 LYS 83 3HD LYS 83 -5.978 -29.285 -5.960 631 HE2 LYS 83 2HE LYS 83 -8.191 -27.931 -7.458 632 HE3 LYS 83 3HE LYS 83 -8.167 -29.684 -7.279 633 HZ1 LYS 83 3HZ LYS 83 -7.710 -28.250 -4.822 634 HZ2 LYS 83 1HZ LYS 83 -8.751 -29.545 -5.143 635 HZ3 LYS 83 2HZ LYS 83 -9.233 -27.963 -5.501 636 H ALA 84 H ALA 84 -2.033 -25.554 -7.149 637 HA ALA 84 HA ALA 84 0.134 -26.711 -5.730 638 HB1 ALA 84 1HB ALA 84 0.431 -24.622 -7.865 639 HB2 ALA 84 2HB ALA 84 1.504 -25.968 -7.478 640 HB3 ALA 84 3HB ALA 84 -0.057 -26.275 -8.239 641 H PHE 85 H PHE 85 -1.553 -23.864 -5.228 642 HA PHE 85 HA PHE 85 0.752 -22.507 -4.019 643 HB2 PHE 85 2HB PHE 85 -0.682 -21.244 -5.643 644 HB3 PHE 85 3HB PHE 85 -2.017 -21.396 -4.505 645 HD1 PHE 85 HD1 PHE 85 1.402 -20.025 -4.894 646 HD2 PHE 85 HD2 PHE 85 -2.269 -19.883 -2.745 647 HE1 PHE 85 HE1 PHE 85 2.158 -17.985 -3.744 648 HE2 PHE 85 HE2 PHE 85 -1.519 -17.842 -1.593 649 HZ PHE 85 HZ PHE 85 0.696 -16.890 -2.092 650 H LEU 86 H LEU 86 -2.597 -23.456 -3.313 651 HA LEU 86 HA LEU 86 -2.537 -22.697 -0.588 652 HB2 LEU 86 2HB LEU 86 -4.520 -23.298 -2.196 653 HB3 LEU 86 3HB LEU 86 -4.269 -24.923 -1.561 654 HG LEU 86 HG LEU 86 -4.671 -22.619 0.309 655 HD11 LEU 86 1HD1 LEU 86 -7.114 -24.024 -0.112 656 HD12 LEU 86 2HD1 LEU 86 -6.545 -23.390 -1.656 657 HD13 LEU 86 3HD1 LEU 86 -6.780 -22.302 -0.288 658 HD21 LEU 86 3HD2 LEU 86 -4.904 -24.206 1.878 659 HD22 LEU 86 1HD2 LEU 86 -4.088 -25.246 0.709 660 HD23 LEU 86 2HD2 LEU 86 -5.848 -25.256 0.820 661 H ALA 87 H ALA 87 -2.314 -25.915 -2.111 662 HA ALA 87 HA ALA 87 -1.735 -27.302 0.277 663 HB1 ALA 87 1HB ALA 87 -1.042 -29.144 -1.194 664 HB2 ALA 87 2HB ALA 87 -2.586 -28.446 -1.685 665 HB3 ALA 87 3HB ALA 87 -1.117 -28.053 -2.578 666 H ALA 88 H ALA 88 0.171 -25.252 -1.659 667 HA ALA 88 HA ALA 88 2.691 -26.412 -0.740 668 HB1 ALA 88 1HB ALA 88 3.763 -24.831 -2.246 669 HB2 ALA 88 2HB ALA 88 2.514 -25.746 -3.091 670 HB3 ALA 88 3HB ALA 88 2.204 -24.083 -2.594 671 H GLY 89 H GLY 89 0.573 -23.714 -0.157 672 HA2 GLY 89 2HA GLY 89 2.581 -22.374 1.501 673 HA3 GLY 89 3HA GLY 89 1.016 -21.721 1.040 674 H ASP 90 H ASP 90 -0.857 -23.244 1.896 675 HA ASP 90 HA ASP 90 -1.020 -22.916 4.628 676 HB2 ASP 90 2HB ASP 90 -3.068 -23.277 3.591 677 HB3 ASP 90 3HB ASP 90 -2.481 -24.673 2.692 678 H THR 91 H THR 91 0.522 -23.675 5.960 679 HA THR 91 HA THR 91 1.149 -26.553 5.831 680 HB THR 91 HB THR 91 3.231 -25.916 7.136 681 HG1 THR 91 HG1 THR 91 3.642 -23.849 7.481 682 HG21 THR 91 3HG2 THR 91 3.957 -24.539 4.822 683 HG22 THR 91 1HG2 THR 91 2.641 -25.600 4.322 684 HG23 THR 91 2HG2 THR 91 4.072 -26.277 5.100 685 H ASP 92 H ASP 92 0.448 -23.839 7.979 686 HA ASP 92 HA ASP 92 0.074 -25.719 10.205 687 HB2 ASP 92 2HB ASP 92 0.589 -22.761 10.076 688 HB3 ASP 92 3HB ASP 92 -0.100 -23.490 11.524 689 H GLY 93 H GLY 93 -1.860 -25.721 8.182 690 HA2 GLY 93 2HA GLY 93 -4.200 -25.072 9.754 691 HA3 GLY 93 3HA GLY 93 -4.039 -24.131 8.279 692 H ASP 94 H ASP 94 -6.122 -25.176 7.779 693 HA ASP 94 HA ASP 94 -5.651 -27.731 6.411 694 HB2 ASP 94 2HB ASP 94 -8.293 -27.213 7.732 695 HB3 ASP 94 3HB ASP 94 -7.568 -28.747 7.258 696 H GLY 95 H GLY 95 -5.583 -25.150 5.282 697 HA2 GLY 95 2HA GLY 95 -6.632 -25.130 2.931 698 HA3 GLY 95 3HA GLY 95 -8.137 -24.977 3.826 699 H LYS 96 H LYS 96 -6.328 -23.343 5.799 700 HA LYS 96 HA LYS 96 -6.698 -20.804 4.359 701 HB2 LYS 96 2HB LYS 96 -6.593 -19.856 6.758 702 HB3 LYS 96 3HB LYS 96 -8.051 -20.703 6.259 703 HG2 LYS 96 2HG LYS 96 -7.612 -22.527 7.591 704 HG3 LYS 96 3HG LYS 96 -5.877 -22.207 7.640 705 HD2 LYS 96 2HD LYS 96 -6.631 -20.024 8.884 706 HD3 LYS 96 3HD LYS 96 -8.087 -20.966 9.217 707 HE2 LYS 96 2HE LYS 96 -6.312 -22.793 9.917 708 HE3 LYS 96 3HE LYS 96 -5.292 -21.375 10.157 709 HZ1 LYS 96 3HZ LYS 96 -7.785 -22.113 11.546 710 HZ2 LYS 96 1HZ LYS 96 -7.285 -20.498 11.490 711 HZ3 LYS 96 2HZ LYS 96 -6.292 -21.666 12.204 712 H ILE 97 H ILE 97 -5.095 -19.218 4.417 713 HA ILE 97 HA ILE 97 -2.467 -20.101 5.414 714 HB ILE 97 HB ILE 97 -3.043 -18.669 2.818 715 HG12 ILE 97 2HG1 ILE 97 -1.824 -21.377 3.402 716 HG13 ILE 97 3HG1 ILE 97 -3.431 -21.090 2.743 717 HG21 ILE 97 1HG2 ILE 97 -0.600 -18.753 2.466 718 HG22 ILE 97 2HG2 ILE 97 -1.062 -17.728 3.824 719 HG23 ILE 97 3HG2 ILE 97 -0.407 -19.339 4.118 720 HD11 ILE 97 3HD1 ILE 97 -0.823 -20.400 1.412 721 HD12 ILE 97 1HD1 ILE 97 -1.877 -21.754 1.007 722 HD13 ILE 97 2HD1 ILE 97 -2.429 -20.099 0.750 723 H GLY 98 H GLY 98 -1.126 -18.532 6.286 724 HA2 GLY 98 2HA GLY 98 -2.368 -15.874 6.647 725 HA3 GLY 98 3HA GLY 98 -1.516 -16.708 7.938 726 H VAL 99 H VAL 99 0.476 -16.019 8.295 727 HA VAL 99 HA VAL 99 1.932 -14.741 6.075 728 HB VAL 99 HB VAL 99 3.242 -14.027 8.419 729 HG11 VAL 99 1HG1 VAL 99 2.843 -11.895 7.709 730 HG12 VAL 99 2HG1 VAL 99 2.433 -12.774 6.234 731 HG13 VAL 99 3HG1 VAL 99 1.155 -12.222 7.317 732 HG21 VAL 99 3HG2 VAL 99 1.448 -13.062 9.821 733 HG22 VAL 99 1HG2 VAL 99 0.257 -13.899 8.826 734 HG23 VAL 99 2HG2 VAL 99 1.413 -14.825 9.783 735 H GLU 100 H GLU 100 2.542 -16.546 9.094 736 HA GLU 100 HA GLU 100 5.179 -17.245 8.589 737 HB2 GLU 100 2HB GLU 100 3.096 -18.049 10.426 738 HB3 GLU 100 3HB GLU 100 4.059 -19.436 9.934 739 HG2 GLU 100 2HG GLU 100 6.059 -17.815 10.468 740 HG3 GLU 100 3HG GLU 100 4.850 -17.027 11.479 741 H GLU 101 H GLU 101 2.227 -18.586 7.321 742 HA GLU 101 HA GLU 101 3.572 -20.900 6.194 743 HB2 GLU 101 2HB GLU 101 0.725 -19.986 5.763 744 HB3 GLU 101 3HB GLU 101 1.392 -21.574 5.406 745 HG2 GLU 101 2HG GLU 101 1.610 -22.105 7.695 746 HG3 GLU 101 3HG GLU 101 1.314 -20.437 8.183 747 H PHE 102 H PHE 102 2.782 -17.695 5.295 748 HA PHE 102 HA PHE 102 2.699 -18.121 2.463 749 HB2 PHE 102 2HB PHE 102 1.590 -16.196 3.586 750 HB3 PHE 102 3HB PHE 102 3.179 -15.549 3.979 751 HD1 PHE 102 HD1 PHE 102 0.895 -16.378 1.203 752 HD2 PHE 102 HD2 PHE 102 4.433 -14.334 2.394 753 HE1 PHE 102 HE1 PHE 102 0.955 -15.223 -0.969 754 HE2 PHE 102 HE2 PHE 102 4.498 -13.175 0.225 755 HZ PHE 102 HZ PHE 102 2.757 -13.618 -1.460 756 H GLN 103 H GLN 103 5.046 -16.360 4.495 757 HA GLN 103 HA GLN 103 7.038 -16.088 2.592 758 HB2 GLN 103 2HB GLN 103 8.604 -15.895 4.536 759 HB3 GLN 103 3HB GLN 103 7.181 -14.868 4.647 760 HG2 GLN 103 2HG GLN 103 6.149 -16.399 6.200 761 HG3 GLN 103 3HG GLN 103 7.497 -17.522 6.031 762 HE21 GLN 103 1HE2 GLN 103 7.944 -17.446 8.232 763 HE22 GLN 103 2HE2 GLN 103 8.688 -16.074 8.972 764 H SER 104 H SER 104 6.362 -18.789 4.751 765 HA SER 104 HA SER 104 8.686 -20.277 4.346 766 HB2 SER 104 2HB SER 104 6.909 -20.763 6.046 767 HB3 SER 104 3HB SER 104 5.906 -21.403 4.744 768 HG SER 104 HG SER 104 7.566 -22.773 6.112 769 H LEU 105 H LEU 105 6.094 -19.603 2.212 770 HA LEU 105 HA LEU 105 6.793 -21.824 0.438 771 HB2 LEU 105 2HB LEU 105 4.470 -21.638 0.683 772 HB3 LEU 105 3HB LEU 105 4.510 -19.882 0.537 773 HG LEU 105 HG LEU 105 5.353 -21.483 -1.820 774 HD11 LEU 105 1HD1 LEU 105 3.435 -22.733 -1.350 775 HD12 LEU 105 2HD1 LEU 105 2.887 -21.506 -2.492 776 HD13 LEU 105 3HD1 LEU 105 2.546 -21.324 -0.771 777 HD21 LEU 105 3HD2 LEU 105 5.055 -18.840 -1.360 778 HD22 LEU 105 1HD2 LEU 105 3.461 -19.234 -2.004 779 HD23 LEU 105 2HD2 LEU 105 4.906 -19.587 -2.951 780 H VAL 106 H VAL 106 6.736 -18.301 0.569 781 HA VAL 106 HA VAL 106 7.511 -17.817 -2.097 782 HB VAL 106 HB VAL 106 8.174 -16.068 0.271 783 HG11 VAL 106 1HG1 VAL 106 9.135 -14.873 -1.359 784 HG12 VAL 106 2HG1 VAL 106 8.324 -15.784 -2.634 785 HG13 VAL 106 3HG1 VAL 106 7.487 -14.457 -1.829 786 HG21 VAL 106 3HG2 VAL 106 5.954 -16.080 0.642 787 HG22 VAL 106 1HG2 VAL 106 5.897 -15.015 -0.762 788 HG23 VAL 106 2HG2 VAL 106 5.588 -16.741 -0.951 789 H LYS 107 H LYS 107 9.391 -18.233 0.875 790 HA LYS 107 HA LYS 107 11.917 -17.667 -0.231 791 HB2 LYS 107 2HB LYS 107 11.143 -19.386 2.132 792 HB3 LYS 107 3HB LYS 107 12.798 -18.937 1.740 793 HG2 LYS 107 2HG LYS 107 11.791 -16.502 1.809 794 HG3 LYS 107 3HG LYS 107 10.589 -17.285 2.839 795 HD2 LYS 107 2HD LYS 107 12.205 -16.553 4.350 796 HD3 LYS 107 3HD LYS 107 12.617 -18.251 4.102 797 HE2 LYS 107 2HE LYS 107 14.647 -17.017 4.007 798 HE3 LYS 107 3HE LYS 107 14.255 -17.495 2.356 799 HZ1 LYS 107 3HZ LYS 107 13.578 -15.334 1.824 800 HZ2 LYS 107 1HZ LYS 107 15.001 -15.121 2.713 801 HZ3 LYS 107 2HZ LYS 107 13.500 -14.849 3.442 802 H ALA 108 H ALA 108 9.836 -20.309 -0.668 803 HA ALA 108 HA ALA 108 11.947 -22.196 -1.331 804 HB1 ALA 108 1HB ALA 108 9.720 -22.772 -0.188 805 HB2 ALA 108 2HB ALA 108 9.022 -22.653 -1.803 806 HB3 ALA 108 3HB ALA 108 10.293 -23.831 -1.476 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.592 1.164 -0.455 2 HA ALA 1 HA ALA 1 0.230 -0.432 -2.526 3 HB1 ALA 1 1HB ALA 1 1.275 1.985 -3.021 4 HB2 ALA 1 2HB ALA 1 2.707 0.988 -3.281 5 HB3 ALA 1 3HB ALA 1 1.241 0.685 -4.212 6 H ILE 2 H ILE 2 1.939 -1.742 -3.817 7 HA ILE 2 HA ILE 2 3.670 -3.077 -1.848 8 HB ILE 2 HB ILE 2 1.882 -4.477 -2.830 9 HG12 ILE 2 2HG1 ILE 2 3.323 -6.371 -3.441 10 HG13 ILE 2 3HG1 ILE 2 4.679 -5.272 -3.673 11 HG21 ILE 2 1HG2 ILE 2 1.522 -4.725 -5.041 12 HG22 ILE 2 2HG2 ILE 2 2.356 -3.175 -5.144 13 HG23 ILE 2 3HG2 ILE 2 3.240 -4.673 -5.434 14 HD11 ILE 2 3HD1 ILE 2 3.564 -4.910 -1.061 15 HD12 ILE 2 1HD1 ILE 2 3.936 -6.611 -1.336 16 HD13 ILE 2 2HD1 ILE 2 5.195 -5.390 -1.528 17 H THR 3 H THR 3 3.641 -1.307 -4.784 18 HA THR 3 HA THR 3 5.924 -2.204 -6.083 19 HB THR 3 HB THR 3 6.100 0.042 -7.068 20 HG1 THR 3 HG1 THR 3 5.400 1.686 -5.950 21 HG21 THR 3 3HG2 THR 3 3.258 -0.010 -7.242 22 HG22 THR 3 1HG2 THR 3 3.838 -1.673 -7.155 23 HG23 THR 3 2HG2 THR 3 4.442 -0.593 -8.412 24 H ASP 4 H ASP 4 5.616 -0.423 -3.138 25 HA ASP 4 HA ASP 4 8.120 0.829 -3.025 26 HB2 ASP 4 2HB ASP 4 6.164 -0.105 -0.952 27 HB3 ASP 4 3HB ASP 4 7.740 0.507 -0.458 28 H ILE 5 H ILE 5 7.268 -2.474 -2.840 29 HA ILE 5 HA ILE 5 9.967 -3.138 -1.854 30 HB ILE 5 HB ILE 5 7.805 -5.179 -1.757 31 HG12 ILE 5 2HG1 ILE 5 8.074 -2.907 0.223 32 HG13 ILE 5 3HG1 ILE 5 6.689 -3.232 -0.813 33 HG21 ILE 5 1HG2 ILE 5 10.252 -5.520 -1.151 34 HG22 ILE 5 2HG2 ILE 5 9.921 -4.542 0.278 35 HG23 ILE 5 3HG2 ILE 5 9.057 -6.060 0.028 36 HD11 ILE 5 3HD1 ILE 5 6.493 -5.450 0.385 37 HD12 ILE 5 1HD1 ILE 5 7.653 -4.808 1.547 38 HD13 ILE 5 2HD1 ILE 5 6.098 -4.007 1.318 39 H LEU 6 H LEU 6 7.347 -4.229 -3.998 40 HA LEU 6 HA LEU 6 9.275 -5.805 -5.535 41 HB2 LEU 6 2HB LEU 6 6.371 -5.867 -5.107 42 HB3 LEU 6 3HB LEU 6 6.878 -6.191 -6.764 43 HG LEU 6 HG LEU 6 8.117 -8.108 -6.097 44 HD11 LEU 6 1HD1 LEU 6 8.091 -6.801 -3.507 45 HD12 LEU 6 2HD1 LEU 6 9.200 -8.009 -4.156 46 HD13 LEU 6 3HD1 LEU 6 7.689 -8.515 -3.402 47 HD21 LEU 6 3HD2 LEU 6 5.635 -8.278 -4.420 48 HD22 LEU 6 1HD2 LEU 6 6.400 -9.529 -5.400 49 HD23 LEU 6 2HD2 LEU 6 5.557 -8.191 -6.181 50 H SER 7 H SER 7 8.575 -5.800 -8.020 51 HA SER 7 HA SER 7 8.510 -2.973 -8.854 52 HB2 SER 7 2HB SER 7 10.217 -5.257 -9.737 53 HB3 SER 7 3HB SER 7 9.758 -4.050 -10.938 54 HG SER 7 HG SER 7 10.503 -2.560 -9.069 55 H ALA 8 H ALA 8 6.884 -2.401 -10.133 56 HA ALA 8 HA ALA 8 4.850 -4.196 -10.893 57 HB1 ALA 8 1HB ALA 8 3.702 -2.332 -11.298 58 HB2 ALA 8 2HB ALA 8 5.129 -1.446 -10.759 59 HB3 ALA 8 3HB ALA 8 4.887 -1.768 -12.476 60 H LYS 9 H LYS 9 7.817 -3.343 -12.384 61 HA LYS 9 HA LYS 9 6.947 -4.343 -14.996 62 HB2 LYS 9 2HB LYS 9 8.511 -2.223 -14.408 63 HB3 LYS 9 3HB LYS 9 9.746 -3.461 -14.597 64 HG2 LYS 9 2HG LYS 9 9.449 -2.349 -16.690 65 HG3 LYS 9 3HG LYS 9 8.804 -3.986 -16.831 66 HD2 LYS 9 2HD LYS 9 6.567 -3.214 -16.696 67 HD3 LYS 9 3HD LYS 9 7.080 -1.605 -16.181 68 HE2 LYS 9 2HE LYS 9 6.586 -1.261 -18.410 69 HE3 LYS 9 3HE LYS 9 8.323 -1.561 -18.464 70 HZ1 LYS 9 3HZ LYS 9 7.211 -2.806 -20.181 71 HZ2 LYS 9 1HZ LYS 9 6.184 -3.536 -19.052 72 HZ3 LYS 9 2HZ LYS 9 7.840 -3.880 -19.034 73 H ASP 10 H ASP 10 7.908 -5.705 -12.255 74 HA ASP 10 HA ASP 10 9.506 -7.771 -13.621 75 HB2 ASP 10 2HB ASP 10 9.659 -6.989 -10.702 76 HB3 ASP 10 3HB ASP 10 10.630 -8.223 -11.501 77 H ILE 11 H ILE 11 6.939 -7.054 -11.350 78 HA ILE 11 HA ILE 11 6.401 -9.655 -10.453 79 HB ILE 11 HB ILE 11 4.500 -7.336 -10.812 80 HG12 ILE 11 2HG1 ILE 11 5.543 -8.262 -8.172 81 HG13 ILE 11 3HG1 ILE 11 6.615 -7.323 -9.206 82 HG21 ILE 11 1HG2 ILE 11 4.169 -10.015 -9.506 83 HG22 ILE 11 2HG2 ILE 11 3.222 -8.620 -8.993 84 HG23 ILE 11 3HG2 ILE 11 3.106 -9.201 -10.654 85 HD11 ILE 11 3HD1 ILE 11 4.986 -6.225 -7.409 86 HD12 ILE 11 1HD1 ILE 11 5.450 -5.416 -8.906 87 HD13 ILE 11 2HD1 ILE 11 3.898 -6.248 -8.797 88 H GLU 12 H GLU 12 4.637 -7.804 -12.947 89 HA GLU 12 HA GLU 12 3.189 -10.049 -13.885 90 HB2 GLU 12 2HB GLU 12 2.324 -8.627 -15.547 91 HB3 GLU 12 3HB GLU 12 2.615 -7.575 -14.169 92 HG2 GLU 12 2HG GLU 12 3.543 -6.275 -15.755 93 HG3 GLU 12 3HG GLU 12 4.953 -7.276 -15.411 94 H SER 13 H SER 13 6.332 -8.783 -14.598 95 HA SER 13 HA SER 13 6.610 -10.286 -17.059 96 HB2 SER 13 2HB SER 13 7.693 -8.083 -16.828 97 HB3 SER 13 3HB SER 13 8.667 -8.705 -15.496 98 HG SER 13 HG SER 13 8.723 -9.518 -18.211 99 H ALA 14 H ALA 14 6.497 -11.230 -13.991 100 HA ALA 14 HA ALA 14 8.352 -13.455 -14.461 101 HB1 ALA 14 1HB ALA 14 9.351 -13.325 -12.354 102 HB2 ALA 14 2HB ALA 14 9.306 -11.651 -12.910 103 HB3 ALA 14 3HB ALA 14 8.120 -12.222 -11.737 104 H LEU 15 H LEU 15 5.291 -12.683 -14.181 105 HA LEU 15 HA LEU 15 4.448 -14.579 -12.161 106 HB2 LEU 15 2HB LEU 15 3.155 -12.553 -13.878 107 HB3 LEU 15 3HB LEU 15 2.168 -13.943 -13.431 108 HG LEU 15 HG LEU 15 3.540 -12.099 -11.475 109 HD11 LEU 15 1HD1 LEU 15 1.883 -10.689 -11.957 110 HD12 LEU 15 2HD1 LEU 15 0.820 -11.844 -11.154 111 HD13 LEU 15 3HD1 LEU 15 1.015 -11.896 -12.906 112 HD21 LEU 15 3HD2 LEU 15 2.662 -14.690 -11.116 113 HD22 LEU 15 1HD2 LEU 15 1.310 -13.712 -10.545 114 HD23 LEU 15 2HD2 LEU 15 2.915 -13.490 -9.848 115 H SER 16 H SER 16 4.633 -14.371 -15.662 116 HA SER 16 HA SER 16 3.767 -17.184 -15.814 117 HB2 SER 16 2HB SER 16 2.108 -15.877 -16.931 118 HB3 SER 16 3HB SER 16 3.332 -14.922 -17.769 119 HG SER 16 HG SER 16 2.576 -16.441 -19.200 120 H SER 17 H SER 17 6.114 -14.793 -16.713 121 HA SER 17 HA SER 17 7.476 -16.024 -18.776 122 HB2 SER 17 2HB SER 17 7.946 -13.864 -17.004 123 HB3 SER 17 3HB SER 17 9.389 -14.877 -16.968 124 HG SER 17 HG SER 17 8.471 -13.245 -18.935 125 H CYS 18 H CYS 18 7.561 -16.716 -15.338 126 HA CYS 18 HA CYS 18 9.548 -18.828 -15.808 127 HB2 CYS 18 2HB CYS 18 8.580 -17.684 -13.180 128 HB3 CYS 18 3HB CYS 18 9.890 -18.840 -13.393 129 HG CYS 18 HG CYS 18 11.527 -16.847 -13.120 130 H GLN 19 H GLN 19 6.958 -19.275 -16.745 131 HA GLN 19 HA GLN 19 6.186 -21.535 -15.053 132 HB2 GLN 19 2HB GLN 19 4.129 -19.692 -16.267 133 HB3 GLN 19 3HB GLN 19 3.855 -21.019 -15.146 134 HG2 GLN 19 2HG GLN 19 5.412 -18.540 -14.458 135 HG3 GLN 19 3HG GLN 19 3.689 -18.742 -14.147 136 HE21 GLN 19 1HE2 GLN 19 5.730 -18.277 -12.212 137 HE22 GLN 19 2HE2 GLN 19 5.756 -19.641 -11.152 138 H ALA 20 H ALA 20 7.632 -21.199 -17.610 139 HA ALA 20 HA ALA 20 5.792 -22.660 -19.390 140 HB1 ALA 20 1HB ALA 20 7.019 -20.366 -20.004 141 HB2 ALA 20 2HB ALA 20 8.274 -21.501 -20.504 142 HB3 ALA 20 3HB ALA 20 6.657 -21.611 -21.200 143 H ALA 21 H ALA 21 7.535 -23.775 -21.142 144 HA ALA 21 HA ALA 21 8.750 -25.857 -19.510 145 HB1 ALA 21 1HB ALA 21 8.345 -27.252 -21.216 146 HB2 ALA 21 2HB ALA 21 7.304 -25.961 -21.816 147 HB3 ALA 21 3HB ALA 21 8.954 -26.114 -22.419 148 H ASP 22 H ASP 22 9.670 -23.278 -21.678 149 HA ASP 22 HA ASP 22 12.478 -23.769 -20.991 150 HB2 ASP 22 2HB ASP 22 12.975 -22.999 -23.429 151 HB3 ASP 22 3HB ASP 22 12.518 -24.675 -23.135 152 H SER 23 H SER 23 10.541 -21.881 -19.977 153 HA SER 23 HA SER 23 11.648 -19.346 -20.988 154 HB2 SER 23 2HB SER 23 9.070 -19.842 -19.478 155 HB3 SER 23 3HB SER 23 9.650 -18.265 -20.014 156 HG SER 23 HG SER 23 9.009 -18.701 -21.974 157 H PHE 24 H PHE 24 11.179 -21.355 -18.185 158 HA PHE 24 HA PHE 24 12.260 -19.317 -16.400 159 HB2 PHE 24 2HB PHE 24 10.349 -20.635 -15.612 160 HB3 PHE 24 3HB PHE 24 11.275 -22.118 -15.821 161 HD1 PHE 24 HD2 PHE 24 12.307 -18.861 -14.356 162 HD2 PHE 24 HD1 PHE 24 11.519 -22.991 -13.693 163 HE1 PHE 24 HE2 PHE 24 13.156 -18.651 -12.056 164 HE2 PHE 24 HE1 PHE 24 12.366 -22.787 -11.392 165 HZ PHE 24 HZ PHE 24 13.187 -20.615 -10.571 166 H ASN 25 H ASN 25 14.397 -19.169 -17.092 167 HA ASN 25 HA ASN 25 16.035 -21.588 -16.725 168 HB2 ASN 25 2HB ASN 25 17.732 -19.976 -18.013 169 HB3 ASN 25 3HB ASN 25 16.574 -20.991 -18.868 170 HD21 ASN 25 1HD2 ASN 25 17.286 -17.756 -17.771 171 HD22 ASN 25 2HD2 ASN 25 16.196 -16.945 -18.838 172 H TYR 26 H TYR 26 18.472 -20.727 -16.292 173 HA TYR 26 HA TYR 26 18.460 -19.842 -13.620 174 HB2 TYR 26 2HB TYR 26 20.929 -19.696 -13.889 175 HB3 TYR 26 3HB TYR 26 20.263 -21.226 -14.450 176 HD1 TYR 26 HD2 TYR 26 21.681 -17.996 -15.534 177 HD2 TYR 26 HD1 TYR 26 20.443 -21.885 -16.735 178 HE1 TYR 26 HE2 TYR 26 22.775 -17.665 -17.712 179 HE2 TYR 26 HE1 TYR 26 21.534 -21.566 -18.916 180 HH TYR 26 HH TYR 26 22.987 -18.477 -19.808 181 H LYS 27 H LYS 27 18.771 -18.157 -16.660 182 HA LYS 27 HA LYS 27 19.742 -15.705 -15.567 183 HB2 LYS 27 2HB LYS 27 18.849 -16.690 -18.194 184 HB3 LYS 27 3HB LYS 27 18.552 -14.980 -17.915 185 HG2 LYS 27 2HG LYS 27 21.245 -16.140 -17.352 186 HG3 LYS 27 3HG LYS 27 20.774 -15.739 -19.005 187 HD2 LYS 27 2HD LYS 27 20.256 -13.669 -16.963 188 HD3 LYS 27 3HD LYS 27 21.952 -13.995 -17.326 189 HE2 LYS 27 2HE LYS 27 21.625 -12.503 -18.980 190 HE3 LYS 27 3HE LYS 27 20.921 -13.883 -19.822 191 HZ1 LYS 27 3HZ LYS 27 18.941 -12.914 -19.812 192 HZ2 LYS 27 1HZ LYS 27 19.680 -11.504 -19.238 193 HZ3 LYS 27 2HZ LYS 27 19.007 -12.609 -18.149 194 H SER 28 H SER 28 16.576 -17.073 -16.161 195 HA SER 28 HA SER 28 15.107 -14.661 -15.835 196 HB2 SER 28 2HB SER 28 14.517 -17.292 -16.572 197 HB3 SER 28 3HB SER 28 13.619 -17.035 -15.076 198 HG SER 28 HG SER 28 13.210 -15.980 -17.564 199 H PHE 29 H PHE 29 16.190 -17.191 -13.647 200 HA PHE 29 HA PHE 29 14.682 -16.483 -11.395 201 HB2 PHE 29 2HB PHE 29 15.855 -18.585 -11.444 202 HB3 PHE 29 3HB PHE 29 17.407 -17.771 -11.618 203 HD1 PHE 29 HD1 PHE 29 18.353 -16.502 -9.713 204 HD2 PHE 29 HD2 PHE 29 14.859 -18.902 -9.322 205 HE1 PHE 29 HE1 PHE 29 18.624 -16.493 -7.267 206 HE2 PHE 29 HE2 PHE 29 15.124 -18.895 -6.876 207 HZ PHE 29 HZ PHE 29 17.007 -17.689 -5.846 208 H PHE 30 H PHE 30 17.406 -14.976 -12.867 209 HA PHE 30 HA PHE 30 18.174 -13.473 -10.524 210 HB2 PHE 30 2HB PHE 30 19.013 -13.038 -13.396 211 HB3 PHE 30 3HB PHE 30 19.816 -12.421 -11.955 212 HD1 PHE 30 HD1 PHE 30 19.518 -15.023 -10.345 213 HD2 PHE 30 HD2 PHE 30 20.895 -14.190 -14.285 214 HE1 PHE 30 HE1 PHE 30 20.933 -17.035 -10.272 215 HE2 PHE 30 HE2 PHE 30 22.312 -16.200 -14.219 216 HZ PHE 30 HZ PHE 30 22.331 -17.626 -12.211 217 H SER 31 H SER 31 16.332 -12.932 -13.474 218 HA SER 31 HA SER 31 15.796 -10.168 -12.675 219 HB2 SER 31 2HB SER 31 16.449 -10.868 -15.070 220 HB3 SER 31 3HB SER 31 14.801 -11.481 -15.198 221 HG SER 31 HG SER 31 15.235 -9.216 -15.878 222 H THR 32 H THR 32 14.673 -12.542 -11.300 223 HA THR 32 HA THR 32 11.926 -12.790 -11.990 224 HB THR 32 HB THR 32 12.950 -13.324 -9.220 225 HG1 THR 32 HG1 THR 32 13.660 -14.623 -11.613 226 HG21 THR 32 3HG2 THR 32 10.823 -14.065 -9.153 227 HG22 THR 32 1HG2 THR 32 11.462 -15.462 -10.020 228 HG23 THR 32 2HG2 THR 32 10.693 -14.148 -10.910 229 H VAL 33 H VAL 33 10.139 -12.211 -10.484 230 HA VAL 33 HA VAL 33 9.818 -9.509 -10.187 231 HB VAL 33 HB VAL 33 7.906 -10.928 -10.024 232 HG11 VAL 33 1HG1 VAL 33 7.522 -12.425 -8.118 233 HG12 VAL 33 2HG1 VAL 33 8.966 -12.878 -9.025 234 HG13 VAL 33 3HG1 VAL 33 9.119 -12.024 -7.489 235 HG21 VAL 33 3HG2 VAL 33 8.046 -8.754 -8.655 236 HG22 VAL 33 1HG2 VAL 33 6.731 -9.876 -8.306 237 HG23 VAL 33 2HG2 VAL 33 8.141 -9.814 -7.249 238 H GLY 34 H GLY 34 11.234 -11.776 -7.893 239 HA2 GLY 34 2HA GLY 34 13.041 -10.825 -6.498 240 HA3 GLY 34 3HA GLY 34 11.966 -9.466 -6.200 241 H LEU 35 H LEU 35 9.581 -10.909 -5.762 242 HA LEU 35 HA LEU 35 9.659 -11.363 -3.045 243 HB2 LEU 35 2HB LEU 35 7.743 -11.486 -5.069 244 HB3 LEU 35 3HB LEU 35 7.703 -13.074 -4.305 245 HG LEU 35 HG LEU 35 7.185 -10.399 -3.021 246 HD11 LEU 35 1HD1 LEU 35 5.524 -12.815 -3.650 247 HD12 LEU 35 2HD1 LEU 35 5.240 -11.132 -4.090 248 HD13 LEU 35 3HD1 LEU 35 5.043 -11.650 -2.416 249 HD21 LEU 35 3HD2 LEU 35 6.657 -12.044 -1.033 250 HD22 LEU 35 1HD2 LEU 35 8.281 -11.404 -1.284 251 HD23 LEU 35 2HD2 LEU 35 7.882 -13.034 -1.828 252 H SER 36 H SER 36 9.732 -13.818 -5.625 253 HA SER 36 HA SER 36 9.935 -16.074 -4.020 254 HB2 SER 36 2HB SER 36 11.449 -16.760 -6.202 255 HB3 SER 36 3HB SER 36 9.688 -16.822 -6.139 256 HG SER 36 HG SER 36 10.134 -15.607 -7.895 257 H SER 37 H SER 37 12.286 -13.651 -4.741 258 HA SER 37 HA SER 37 14.319 -15.215 -3.289 259 HB2 SER 37 2HB SER 37 14.876 -14.900 -5.699 260 HB3 SER 37 3HB SER 37 14.845 -13.155 -5.445 261 HG SER 37 HG SER 37 16.835 -14.881 -4.974 262 H LYS 38 H LYS 38 12.377 -13.490 -2.106 263 HA LYS 38 HA LYS 38 13.883 -11.091 -1.379 264 HB2 LYS 38 2HB LYS 38 11.049 -11.884 -1.350 265 HB3 LYS 38 3HB LYS 38 11.560 -10.956 0.054 266 HG2 LYS 38 2HG LYS 38 12.155 -10.037 -2.737 267 HG3 LYS 38 3HG LYS 38 10.619 -9.679 -1.943 268 HD2 LYS 38 2HD LYS 38 11.625 -8.349 -0.322 269 HD3 LYS 38 3HD LYS 38 13.216 -9.071 -0.578 270 HE2 LYS 38 2HE LYS 38 13.530 -7.899 -2.601 271 HE3 LYS 38 3HE LYS 38 11.828 -7.447 -2.694 272 HZ1 LYS 38 3HZ LYS 38 13.019 -6.504 -0.289 273 HZ2 LYS 38 1HZ LYS 38 12.213 -5.637 -1.498 274 HZ3 LYS 38 2HZ LYS 38 13.870 -5.945 -1.640 275 H THR 39 H THR 39 13.903 -10.474 0.953 276 HA THR 39 HA THR 39 14.982 -12.639 2.498 277 HB THR 39 HB THR 39 15.275 -9.849 2.506 278 HG1 THR 39 HG1 THR 39 16.882 -10.387 4.084 279 HG21 THR 39 3HG2 THR 39 14.851 -9.185 4.784 280 HG22 THR 39 1HG2 THR 39 14.272 -10.799 5.191 281 HG23 THR 39 2HG2 THR 39 13.349 -9.785 4.083 282 HA PRO 40 HA PRO 40 11.479 -13.805 4.874 283 HB2 PRO 40 2HB PRO 40 12.625 -14.380 7.267 284 HB3 PRO 40 3HB PRO 40 12.813 -15.406 5.841 285 HG2 PRO 40 2HG PRO 40 14.687 -13.358 6.960 286 HG3 PRO 40 3HG PRO 40 15.046 -14.974 6.326 287 HD2 PRO 40 2HD PRO 40 15.432 -12.721 4.875 288 HD3 PRO 40 3HD PRO 40 14.973 -14.268 4.133 289 H ASP 41 H ASP 41 10.785 -11.455 4.739 290 HA ASP 41 HA ASP 41 9.872 -10.579 7.230 291 HB2 ASP 41 2HB ASP 41 12.528 -9.868 6.883 292 HB3 ASP 41 3HB ASP 41 11.651 -8.414 6.413 293 H GLN 42 H GLN 42 10.903 -9.471 4.025 294 HA GLN 42 HA GLN 42 8.798 -7.512 3.865 295 HB2 GLN 42 2HB GLN 42 10.524 -8.521 1.607 296 HB3 GLN 42 3HB GLN 42 9.661 -6.992 1.696 297 HG2 GLN 42 2HG GLN 42 12.134 -7.832 3.161 298 HG3 GLN 42 3HG GLN 42 11.901 -6.456 2.084 299 HE21 GLN 42 1HE2 GLN 42 9.859 -5.112 2.947 300 HE22 GLN 42 2HE2 GLN 42 10.024 -4.625 4.597 301 H ILE 43 H ILE 43 9.260 -10.825 2.960 302 HA ILE 43 HA ILE 43 7.352 -11.094 0.940 303 HB ILE 43 HB ILE 43 8.151 -13.107 3.046 304 HG12 ILE 43 2HG1 ILE 43 9.122 -12.727 0.205 305 HG13 ILE 43 3HG1 ILE 43 10.012 -12.261 1.650 306 HG21 ILE 43 1HG2 ILE 43 7.374 -14.368 0.650 307 HG22 ILE 43 2HG2 ILE 43 6.579 -14.438 2.222 308 HG23 ILE 43 3HG2 ILE 43 6.108 -13.208 1.051 309 HD11 ILE 43 3HD1 ILE 43 10.581 -14.481 0.475 310 HD12 ILE 43 1HD1 ILE 43 10.457 -14.450 2.234 311 HD13 ILE 43 2HD1 ILE 43 9.126 -15.086 1.267 312 H LYS 44 H LYS 44 6.973 -11.655 4.441 313 HA LYS 44 HA LYS 44 4.277 -12.277 4.469 314 HB2 LYS 44 2HB LYS 44 4.336 -11.276 6.826 315 HB3 LYS 44 3HB LYS 44 5.447 -12.595 6.481 316 HG2 LYS 44 2HG LYS 44 7.280 -11.064 6.243 317 HG3 LYS 44 3HG LYS 44 6.195 -9.680 6.397 318 HD2 LYS 44 2HD LYS 44 5.695 -11.227 8.657 319 HD3 LYS 44 3HD LYS 44 7.447 -11.284 8.454 320 HE2 LYS 44 2HE LYS 44 7.144 -8.695 8.074 321 HE3 LYS 44 3HE LYS 44 5.663 -8.959 8.993 322 HZ1 LYS 44 3HZ LYS 44 8.122 -8.530 10.051 323 HZ2 LYS 44 1HZ LYS 44 7.961 -10.210 10.172 324 HZ3 LYS 44 2HZ LYS 44 6.804 -9.196 10.875 325 H LYS 45 H LYS 45 5.824 -9.093 4.601 326 HA LYS 45 HA LYS 45 3.508 -7.562 4.984 327 HB2 LYS 45 2HB LYS 45 6.281 -7.078 4.154 328 HB3 LYS 45 3HB LYS 45 5.130 -5.929 3.484 329 HG2 LYS 45 2HG LYS 45 5.275 -6.574 6.415 330 HG3 LYS 45 3HG LYS 45 6.205 -5.277 5.662 331 HD2 LYS 45 2HD LYS 45 3.201 -5.520 5.534 332 HD3 LYS 45 3HD LYS 45 4.073 -4.517 6.696 333 HE2 LYS 45 2HE LYS 45 5.202 -3.628 4.446 334 HE3 LYS 45 3HE LYS 45 3.648 -4.137 3.787 335 HZ1 LYS 45 3HZ LYS 45 2.863 -2.201 4.493 336 HZ2 LYS 45 1HZ LYS 45 4.272 -1.852 5.363 337 HZ3 LYS 45 2HZ LYS 45 3.039 -2.759 6.081 338 H VAL 46 H VAL 46 4.672 -9.238 2.221 339 HA VAL 46 HA VAL 46 3.124 -7.686 0.324 340 HB VAL 46 HB VAL 46 4.640 -10.270 -0.072 341 HG11 VAL 46 1HG1 VAL 46 3.316 -8.384 -2.008 342 HG12 VAL 46 2HG1 VAL 46 4.526 -9.573 -2.492 343 HG13 VAL 46 3HG1 VAL 46 3.003 -10.104 -1.780 344 HG21 VAL 46 3HG2 VAL 46 5.784 -7.941 0.550 345 HG22 VAL 46 1HG2 VAL 46 6.507 -9.082 -0.583 346 HG23 VAL 46 2HG2 VAL 46 5.597 -7.697 -1.186 347 H PHE 47 H PHE 47 2.661 -10.388 2.367 348 HA PHE 47 HA PHE 47 0.507 -11.525 0.791 349 HB2 PHE 47 2HB PHE 47 1.384 -13.306 1.875 350 HB3 PHE 47 3HB PHE 47 2.061 -12.313 3.161 351 HD1 PHE 47 HD2 PHE 47 -1.006 -13.985 1.974 352 HD2 PHE 47 HD1 PHE 47 0.951 -12.061 5.227 353 HE1 PHE 47 HE2 PHE 47 -2.786 -14.747 3.491 354 HE2 PHE 47 HE1 PHE 47 -0.825 -12.821 6.750 355 HZ PHE 47 HZ PHE 47 -2.698 -14.165 5.883 356 H GLY 48 H GLY 48 0.928 -9.249 3.348 357 HA2 GLY 48 2HA GLY 48 -1.666 -9.426 4.497 358 HA3 GLY 48 3HA GLY 48 -0.557 -8.071 4.650 359 H ILE 49 H ILE 49 -0.694 -8.345 1.475 360 HA ILE 49 HA ILE 49 -2.802 -6.338 1.252 361 HB ILE 49 HB ILE 49 -0.996 -7.208 -0.987 362 HG12 ILE 49 2HG1 ILE 49 -0.396 -5.137 1.137 363 HG13 ILE 49 3HG1 ILE 49 0.434 -6.677 0.938 364 HG21 ILE 49 1HG2 ILE 49 -1.782 -4.400 -0.646 365 HG22 ILE 49 2HG2 ILE 49 -1.766 -5.409 -2.091 366 HG23 ILE 49 3HG2 ILE 49 -3.112 -5.515 -0.957 367 HD11 ILE 49 3HD1 ILE 49 0.515 -5.263 -1.531 368 HD12 ILE 49 1HD1 ILE 49 1.051 -4.196 -0.233 369 HD13 ILE 49 2HD1 ILE 49 1.846 -5.751 -0.482 370 H LEU 50 H LEU 50 -2.350 -9.647 0.736 371 HA LEU 50 HA LEU 50 -4.232 -9.889 -1.449 372 HB2 LEU 50 2HB LEU 50 -3.435 -12.243 0.168 373 HB3 LEU 50 3HB LEU 50 -3.623 -12.080 -1.577 374 HG LEU 50 HG LEU 50 -1.284 -11.096 0.056 375 HD11 LEU 50 1HD1 LEU 50 -1.637 -13.441 -1.797 376 HD12 LEU 50 2HD1 LEU 50 -1.193 -13.466 -0.091 377 HD13 LEU 50 3HD1 LEU 50 -0.065 -12.827 -1.285 378 HD21 LEU 50 3HD2 LEU 50 -0.863 -11.227 -2.783 379 HD22 LEU 50 1HD2 LEU 50 -0.661 -9.864 -1.682 380 HD23 LEU 50 2HD2 LEU 50 -2.234 -10.180 -2.414 381 H ASP 51 H ASP 51 -4.133 -10.871 1.973 382 HA ASP 51 HA ASP 51 -6.550 -12.035 2.319 383 HB2 ASP 51 2HB ASP 51 -5.399 -9.949 4.184 384 HB3 ASP 51 3HB ASP 51 -6.553 -11.209 4.614 385 H GLN 52 H GLN 52 -8.631 -11.509 2.117 386 HA GLN 52 HA GLN 52 -9.559 -9.287 0.818 387 HB2 GLN 52 2HB GLN 52 -11.780 -9.811 2.040 388 HB3 GLN 52 3HB GLN 52 -11.087 -11.036 0.985 389 HG2 GLN 52 2HG GLN 52 -10.966 -12.489 2.646 390 HG3 GLN 52 3HG GLN 52 -10.079 -11.345 3.652 391 HE21 GLN 52 1HE2 GLN 52 -11.870 -9.375 4.074 392 HE22 GLN 52 2HE2 GLN 52 -13.239 -9.975 4.941 393 H ASP 53 H ASP 53 -9.339 -9.759 4.329 394 HA ASP 53 HA ASP 53 -9.192 -6.875 4.681 395 HB2 ASP 53 2HB ASP 53 -11.627 -7.552 4.841 396 HB3 ASP 53 3HB ASP 53 -11.193 -8.483 6.272 397 H LYS 54 H LYS 54 -7.499 -9.329 5.025 398 HA LYS 54 HA LYS 54 -5.924 -10.125 6.461 399 HB2 LYS 54 2HB LYS 54 -6.476 -7.454 7.755 400 HB3 LYS 54 3HB LYS 54 -5.197 -8.537 8.289 401 HG2 LYS 54 2HG LYS 54 -5.283 -7.795 5.416 402 HG3 LYS 54 3HG LYS 54 -4.747 -6.580 6.579 403 HD2 LYS 54 2HD LYS 54 -3.568 -9.248 6.940 404 HD3 LYS 54 3HD LYS 54 -3.131 -8.439 5.433 405 HE2 LYS 54 2HE LYS 54 -2.150 -6.638 6.549 406 HE3 LYS 54 3HE LYS 54 -2.973 -7.009 8.063 407 HZ1 LYS 54 3HZ LYS 54 -0.859 -7.764 8.470 408 HZ2 LYS 54 1HZ LYS 54 -0.603 -8.284 6.880 409 HZ3 LYS 54 2HZ LYS 54 -1.595 -9.182 7.914 410 H SER 55 H SER 55 -7.937 -11.575 6.905 411 HA SER 55 HA SER 55 -8.911 -11.320 9.641 412 HB2 SER 55 2HB SER 55 -9.603 -13.584 7.788 413 HB3 SER 55 3HB SER 55 -10.568 -12.879 9.085 414 HG SER 55 HG SER 55 -11.177 -11.285 7.793 415 H GLY 56 H GLY 56 -6.095 -12.165 8.696 416 HA2 GLY 56 2HA GLY 56 -4.587 -13.347 10.124 417 HA3 GLY 56 3HA GLY 56 -5.903 -14.424 10.567 418 H PHE 57 H PHE 57 -6.883 -15.314 8.237 419 HA PHE 57 HA PHE 57 -4.574 -16.440 6.802 420 HB2 PHE 57 2HB PHE 57 -7.052 -18.012 7.519 421 HB3 PHE 57 3HB PHE 57 -5.568 -18.624 6.796 422 HD1 PHE 57 HD1 PHE 57 -3.503 -18.764 8.152 423 HD2 PHE 57 HD2 PHE 57 -7.262 -17.730 9.860 424 HE1 PHE 57 HE1 PHE 57 -2.622 -19.273 10.392 425 HE2 PHE 57 HE2 PHE 57 -6.386 -18.237 12.103 426 HZ PHE 57 HZ PHE 57 -4.063 -19.009 12.371 427 H ILE 58 H ILE 58 -5.389 -17.624 4.748 428 HA ILE 58 HA ILE 58 -7.541 -16.043 3.504 429 HB ILE 58 HB ILE 58 -4.816 -16.679 2.406 430 HG12 ILE 58 2HG1 ILE 58 -6.449 -14.132 2.472 431 HG13 ILE 58 3HG1 ILE 58 -5.176 -14.544 3.616 432 HG21 ILE 58 1HG2 ILE 58 -6.230 -17.406 0.659 433 HG22 ILE 58 2HG2 ILE 58 -7.327 -16.045 0.881 434 HG23 ILE 58 3HG2 ILE 58 -5.714 -15.778 0.221 435 HD11 ILE 58 3HD1 ILE 58 -4.234 -13.056 2.052 436 HD12 ILE 58 1HD1 ILE 58 -3.610 -14.656 1.653 437 HD13 ILE 58 2HD1 ILE 58 -4.905 -13.949 0.687 438 H GLU 59 H GLU 59 -9.156 -17.436 3.194 439 HA GLU 59 HA GLU 59 -8.767 -20.232 2.797 440 HB2 GLU 59 2HB GLU 59 -11.301 -18.725 2.186 441 HB3 GLU 59 3HB GLU 59 -11.127 -20.400 2.689 442 HG2 GLU 59 2HG GLU 59 -10.348 -19.632 4.892 443 HG3 GLU 59 3HG GLU 59 -10.606 -17.965 4.380 444 H GLU 60 H GLU 60 -9.672 -21.417 0.913 445 HA GLU 60 HA GLU 60 -8.375 -20.794 -1.439 446 HB2 GLU 60 2HB GLU 60 -9.372 -23.012 -0.825 447 HB3 GLU 60 3HB GLU 60 -10.949 -22.364 -1.251 448 HG2 GLU 60 2HG GLU 60 -8.825 -22.137 -3.290 449 HG3 GLU 60 3HG GLU 60 -9.434 -23.755 -2.945 450 H GLU 61 H GLU 61 -11.405 -19.614 -0.246 451 HA GLU 61 HA GLU 61 -12.546 -18.748 -2.672 452 HB2 GLU 61 2HB GLU 61 -12.879 -17.740 0.155 453 HB3 GLU 61 3HB GLU 61 -13.842 -17.168 -1.200 454 HG2 GLU 61 2HG GLU 61 -14.651 -19.458 -1.569 455 HG3 GLU 61 3HG GLU 61 -13.725 -19.992 -0.168 456 H GLU 62 H GLU 62 -10.518 -17.055 -0.296 457 HA GLU 62 HA GLU 62 -10.339 -14.725 -2.023 458 HB2 GLU 62 2HB GLU 62 -9.843 -15.313 0.786 459 HB3 GLU 62 3HB GLU 62 -8.550 -14.362 0.069 460 HG2 GLU 62 2HG GLU 62 -9.996 -12.756 0.880 461 HG3 GLU 62 3HG GLU 62 -10.436 -12.860 -0.824 462 H LEU 63 H LEU 63 -8.754 -17.651 -1.713 463 HA LEU 63 HA LEU 63 -6.078 -16.781 -2.253 464 HB2 LEU 63 2HB LEU 63 -6.886 -18.982 -1.176 465 HB3 LEU 63 3HB LEU 63 -7.132 -19.526 -2.834 466 HG LEU 63 HG LEU 63 -4.693 -19.025 -3.238 467 HD11 LEU 63 1HD1 LEU 63 -4.930 -18.013 -0.571 468 HD12 LEU 63 2HD1 LEU 63 -3.562 -17.928 -1.680 469 HD13 LEU 63 3HD1 LEU 63 -3.746 -19.319 -0.612 470 HD21 LEU 63 3HD2 LEU 63 -4.196 -21.174 -2.773 471 HD22 LEU 63 1HD2 LEU 63 -5.914 -21.271 -2.386 472 HD23 LEU 63 2HD2 LEU 63 -4.731 -21.049 -1.096 473 H GLN 64 H GLN 64 -8.880 -17.514 -4.150 474 HA GLN 64 HA GLN 64 -7.546 -18.006 -6.614 475 HB2 GLN 64 2HB GLN 64 -9.670 -18.030 -7.602 476 HB3 GLN 64 3HB GLN 64 -9.955 -18.607 -5.966 477 HG2 GLN 64 2HG GLN 64 -10.731 -16.393 -5.310 478 HG3 GLN 64 3HG GLN 64 -10.428 -15.800 -6.942 479 HE21 GLN 64 1HE2 GLN 64 -12.761 -15.230 -6.613 480 HE22 GLN 64 2HE2 GLN 64 -13.933 -16.401 -7.100 481 H LEU 65 H LEU 65 -7.637 -15.283 -4.802 482 HA LEU 65 HA LEU 65 -7.665 -13.479 -7.124 483 HB2 LEU 65 2HB LEU 65 -7.640 -12.538 -4.288 484 HB3 LEU 65 3HB LEU 65 -8.261 -11.730 -5.726 485 HG LEU 65 HG LEU 65 -9.564 -14.152 -4.497 486 HD11 LEU 65 1HD1 LEU 65 -11.232 -12.458 -3.645 487 HD12 LEU 65 2HD1 LEU 65 -10.013 -11.227 -3.971 488 HD13 LEU 65 3HD1 LEU 65 -9.680 -12.509 -2.807 489 HD21 LEU 65 3HD2 LEU 65 -11.228 -12.301 -5.963 490 HD22 LEU 65 1HD2 LEU 65 -11.008 -14.037 -6.184 491 HD23 LEU 65 2HD2 LEU 65 -9.901 -12.902 -6.958 492 H PHE 66 H PHE 66 -5.441 -15.246 -6.310 493 HA PHE 66 HA PHE 66 -3.415 -13.587 -5.149 494 HB2 PHE 66 2HB PHE 66 -3.281 -15.984 -4.851 495 HB3 PHE 66 3HB PHE 66 -3.260 -16.239 -6.593 496 HD1 PHE 66 HD1 PHE 66 -1.321 -15.182 -3.681 497 HD2 PHE 66 HD2 PHE 66 -1.262 -15.841 -7.886 498 HE1 PHE 66 HE1 PHE 66 1.138 -15.087 -3.658 499 HE2 PHE 66 HE2 PHE 66 1.197 -15.748 -7.869 500 HZ PHE 66 HZ PHE 66 2.400 -15.371 -5.754 501 H LEU 67 H LEU 67 -4.726 -13.927 -8.265 502 HA LEU 67 HA LEU 67 -2.329 -12.929 -9.600 503 HB2 LEU 67 2HB LEU 67 -4.938 -14.057 -10.505 504 HB3 LEU 67 3HB LEU 67 -4.013 -13.040 -11.608 505 HG LEU 67 HG LEU 67 -3.025 -15.597 -10.345 506 HD11 LEU 67 1HD1 LEU 67 -4.644 -15.089 -12.680 507 HD12 LEU 67 2HD1 LEU 67 -4.188 -16.621 -11.935 508 HD13 LEU 67 3HD1 LEU 67 -3.116 -15.858 -13.110 509 HD21 LEU 67 3HD2 LEU 67 -1.335 -15.207 -12.326 510 HD22 LEU 67 1HD2 LEU 67 -1.080 -14.463 -10.748 511 HD23 LEU 67 2HD2 LEU 67 -1.772 -13.518 -12.066 512 H LYS 68 H LYS 68 -4.890 -11.656 -7.950 513 HA LYS 68 HA LYS 68 -5.222 -9.311 -9.653 514 HB2 LYS 68 2HB LYS 68 -6.491 -9.625 -6.955 515 HB3 LYS 68 3HB LYS 68 -7.087 -8.762 -8.367 516 HG2 LYS 68 2HG LYS 68 -6.979 -11.340 -9.270 517 HG3 LYS 68 3HG LYS 68 -7.442 -11.547 -7.579 518 HD2 LYS 68 2HD LYS 68 -9.474 -11.332 -8.734 519 HD3 LYS 68 3HD LYS 68 -9.195 -9.742 -8.020 520 HE2 LYS 68 2HE LYS 68 -8.588 -8.800 -10.070 521 HE3 LYS 68 3HE LYS 68 -8.287 -10.373 -10.807 522 HZ1 LYS 68 3HZ LYS 68 -10.909 -9.158 -10.149 523 HZ2 LYS 68 1HZ LYS 68 -10.729 -10.788 -10.567 524 HZ3 LYS 68 2HZ LYS 68 -10.317 -9.580 -11.677 525 H ASN 69 H ASN 69 -3.408 -10.348 -6.948 526 HA ASN 69 HA ASN 69 -2.788 -7.584 -6.175 527 HB2 ASN 69 2HB ASN 69 -3.427 -9.589 -4.538 528 HB3 ASN 69 3HB ASN 69 -1.699 -9.905 -4.656 529 HD21 ASN 69 1HD2 ASN 69 -0.245 -8.162 -4.095 530 HD22 ASN 69 2HD2 ASN 69 -0.728 -7.009 -2.902 531 H PHE 70 H PHE 70 -1.762 -9.450 -8.470 532 HA PHE 70 HA PHE 70 1.067 -8.746 -8.078 533 HB2 PHE 70 2HB PHE 70 -0.090 -11.340 -9.073 534 HB3 PHE 70 3HB PHE 70 1.548 -10.847 -9.490 535 HD1 PHE 70 HD2 PHE 70 -0.662 -11.297 -6.525 536 HD2 PHE 70 HD1 PHE 70 3.285 -11.459 -8.110 537 HE1 PHE 70 HE2 PHE 70 0.152 -12.221 -4.395 538 HE2 PHE 70 HE1 PHE 70 4.105 -12.384 -5.982 539 HZ PHE 70 HZ PHE 70 2.538 -12.765 -4.121 540 H SER 71 H SER 71 -1.453 -9.583 -10.430 541 HA SER 71 HA SER 71 0.018 -8.100 -12.492 542 HB2 SER 71 2HB SER 71 -1.790 -10.404 -12.513 543 HB3 SER 71 3HB SER 71 -2.179 -9.204 -13.745 544 HG SER 71 HG SER 71 -0.677 -10.578 -14.620 545 H SER 72 H SER 72 -3.014 -8.192 -10.730 546 HA SER 72 HA SER 72 -4.671 -6.657 -10.453 547 HB2 SER 72 2HB SER 72 -2.560 -5.167 -10.206 548 HB3 SER 72 3HB SER 72 -2.971 -4.585 -11.819 549 HG SER 72 HG SER 72 -4.247 -4.164 -9.395 550 H SER 73 H SER 73 -4.049 -8.068 -13.133 551 HA SER 73 HA SER 73 -5.996 -6.519 -14.710 552 HB2 SER 73 2HB SER 73 -3.483 -6.594 -15.498 553 HB3 SER 73 3HB SER 73 -3.929 -8.197 -16.082 554 HG SER 73 HG SER 73 -4.375 -5.888 -17.254 555 H ALA 74 H ALA 74 -4.686 -9.669 -13.864 556 HA ALA 74 HA ALA 74 -6.338 -11.284 -15.439 557 HB1 ALA 74 1HB ALA 74 -5.014 -12.808 -14.522 558 HB2 ALA 74 2HB ALA 74 -4.472 -11.649 -13.307 559 HB3 ALA 74 3HB ALA 74 -5.902 -12.637 -13.007 560 H ARG 75 H ARG 75 -7.754 -12.988 -13.911 561 HA ARG 75 HA ARG 75 -9.846 -11.279 -12.734 562 HB2 ARG 75 2HB ARG 75 -11.172 -13.562 -13.359 563 HB3 ARG 75 3HB ARG 75 -11.074 -12.158 -14.413 564 HG2 ARG 75 2HG ARG 75 -9.486 -13.140 -15.787 565 HG3 ARG 75 3HG ARG 75 -9.008 -14.314 -14.559 566 HD2 ARG 75 2HD ARG 75 -11.458 -15.155 -14.797 567 HD3 ARG 75 3HD ARG 75 -11.412 -14.299 -16.338 568 HE ARG 75 HE ARG 75 -9.163 -16.009 -16.041 569 HH11 ARG 75 1HH1 ARG 75 -12.566 -16.005 -16.773 570 HH12 ARG 75 2HH1 ARG 75 -12.497 -17.451 -17.723 571 HH21 ARG 75 1HH2 ARG 75 -9.058 -17.915 -17.290 572 HH22 ARG 75 2HH2 ARG 75 -10.501 -18.538 -18.016 573 H VAL 76 H VAL 76 -8.985 -14.742 -12.687 574 HA VAL 76 HA VAL 76 -8.439 -14.748 -9.886 575 HB VAL 76 HB VAL 76 -10.360 -16.462 -9.466 576 HG11 VAL 76 1HG1 VAL 76 -9.954 -14.007 -8.614 577 HG12 VAL 76 2HG1 VAL 76 -11.359 -13.662 -9.623 578 HG13 VAL 76 3HG1 VAL 76 -11.481 -14.833 -8.310 579 HG21 VAL 76 3HG2 VAL 76 -11.648 -14.772 -11.603 580 HG22 VAL 76 1HG2 VAL 76 -11.084 -16.423 -11.860 581 HG23 VAL 76 2HG2 VAL 76 -12.374 -16.103 -10.701 582 H LEU 77 H LEU 77 -7.646 -16.752 -9.144 583 HA LEU 77 HA LEU 77 -6.186 -18.258 -10.935 584 HB2 LEU 77 2HB LEU 77 -7.261 -19.195 -8.280 585 HB3 LEU 77 3HB LEU 77 -5.885 -19.874 -9.147 586 HG LEU 77 HG LEU 77 -6.080 -17.268 -7.673 587 HD11 LEU 77 1HD1 LEU 77 -3.779 -18.263 -6.920 588 HD12 LEU 77 2HD1 LEU 77 -4.484 -19.777 -7.485 589 HD13 LEU 77 3HD1 LEU 77 -5.286 -18.852 -6.216 590 HD21 LEU 77 3HD2 LEU 77 -3.991 -18.056 -9.701 591 HD22 LEU 77 1HD2 LEU 77 -3.871 -16.690 -8.593 592 HD23 LEU 77 2HD2 LEU 77 -5.128 -16.713 -9.830 593 H THR 78 H THR 78 -6.403 -20.684 -11.253 594 HA THR 78 HA THR 78 -9.208 -21.415 -11.775 595 HB THR 78 HB THR 78 -7.929 -20.743 -13.861 596 HG1 THR 78 HG1 THR 78 -8.623 -22.828 -14.925 597 HG21 THR 78 3HG2 THR 78 -5.885 -22.163 -12.891 598 HG22 THR 78 1HG2 THR 78 -6.128 -21.916 -14.619 599 HG23 THR 78 2HG2 THR 78 -6.651 -23.420 -13.862 600 H SER 79 H SER 79 -8.821 -23.947 -12.753 601 HA SER 79 HA SER 79 -8.267 -25.396 -10.345 602 HB2 SER 79 2HB SER 79 -9.014 -26.289 -13.134 603 HB3 SER 79 3HB SER 79 -8.786 -27.405 -11.788 604 HG SER 79 HG SER 79 -10.936 -26.923 -11.837 605 H ALA 80 H ALA 80 -5.958 -24.287 -10.636 606 HA ALA 80 HA ALA 80 -4.116 -26.387 -10.909 607 HB1 ALA 80 1HB ALA 80 -3.174 -24.666 -12.983 608 HB2 ALA 80 2HB ALA 80 -3.533 -26.392 -13.048 609 HB3 ALA 80 3HB ALA 80 -4.803 -25.214 -13.379 610 H GLU 81 H GLU 81 -4.657 -22.907 -11.031 611 HA GLU 81 HA GLU 81 -2.027 -22.297 -10.007 612 HB2 GLU 81 2HB GLU 81 -4.457 -20.562 -10.474 613 HB3 GLU 81 3HB GLU 81 -2.900 -19.957 -9.926 614 HG2 GLU 81 2HG GLU 81 -1.998 -21.127 -12.066 615 HG3 GLU 81 3HG GLU 81 -3.678 -21.037 -12.592 616 H THR 82 H THR 82 -5.361 -22.168 -8.790 617 HA THR 82 HA THR 82 -4.669 -21.260 -6.195 618 HB THR 82 HB THR 82 -7.109 -22.879 -6.346 619 HG1 THR 82 HG1 THR 82 -8.147 -21.441 -7.798 620 HG21 THR 82 3HG2 THR 82 -7.253 -19.972 -5.941 621 HG22 THR 82 1HG2 THR 82 -6.195 -20.822 -4.816 622 HG23 THR 82 2HG2 THR 82 -7.890 -21.287 -4.954 623 H LYS 83 H LYS 83 -5.090 -24.455 -7.614 624 HA LYS 83 HA LYS 83 -4.933 -25.880 -5.151 625 HB2 LYS 83 2HB LYS 83 -4.388 -26.865 -7.958 626 HB3 LYS 83 3HB LYS 83 -4.692 -27.871 -6.548 627 HG2 LYS 83 2HG LYS 83 -6.716 -25.856 -7.428 628 HG3 LYS 83 3HG LYS 83 -6.603 -27.427 -8.225 629 HD2 LYS 83 2HD LYS 83 -6.819 -28.493 -5.973 630 HD3 LYS 83 3HD LYS 83 -7.131 -26.890 -5.304 631 HE2 LYS 83 2HE LYS 83 -9.262 -27.760 -5.654 632 HE3 LYS 83 3HE LYS 83 -8.994 -26.745 -7.070 633 HZ1 LYS 83 3HZ LYS 83 -9.867 -28.743 -7.882 634 HZ2 LYS 83 1HZ LYS 83 -8.882 -29.696 -6.891 635 HZ3 LYS 83 2HZ LYS 83 -8.208 -28.853 -8.193 636 H ALA 84 H ALA 84 -2.598 -25.218 -7.748 637 HA ALA 84 HA ALA 84 -0.434 -26.557 -6.488 638 HB1 ALA 84 1HB ALA 84 -0.128 -24.343 -8.492 639 HB2 ALA 84 2HB ALA 84 0.909 -25.746 -8.229 640 HB3 ALA 84 3HB ALA 84 -0.685 -25.951 -8.955 641 H PHE 85 H PHE 85 -1.996 -23.700 -5.730 642 HA PHE 85 HA PHE 85 0.399 -22.504 -4.524 643 HB2 PHE 85 2HB PHE 85 -1.057 -21.090 -6.004 644 HB3 PHE 85 3HB PHE 85 -2.344 -21.270 -4.817 645 HD1 PHE 85 HD1 PHE 85 1.079 -19.961 -5.316 646 HD2 PHE 85 HD2 PHE 85 -2.434 -19.903 -2.915 647 HE1 PHE 85 HE1 PHE 85 1.963 -18.029 -4.076 648 HE2 PHE 85 HE2 PHE 85 -1.557 -17.970 -1.671 649 HZ PHE 85 HZ PHE 85 0.644 -17.030 -2.251 650 H LEU 86 H LEU 86 -2.940 -23.431 -3.759 651 HA LEU 86 HA LEU 86 -2.729 -22.867 -0.982 652 HB2 LEU 86 2HB LEU 86 -4.812 -23.217 -2.544 653 HB3 LEU 86 3HB LEU 86 -4.641 -24.896 -2.037 654 HG LEU 86 HG LEU 86 -4.804 -22.727 0.016 655 HD11 LEU 86 1HD1 LEU 86 -7.355 -23.967 -0.519 656 HD12 LEU 86 2HD1 LEU 86 -6.772 -23.065 -1.917 657 HD13 LEU 86 3HD1 LEU 86 -6.943 -22.260 -0.357 658 HD21 LEU 86 3HD2 LEU 86 -5.139 -24.414 1.465 659 HD22 LEU 86 1HD2 LEU 86 -4.395 -25.396 0.203 660 HD23 LEU 86 2HD2 LEU 86 -6.152 -25.320 0.339 661 H ALA 87 H ALA 87 -2.741 -25.940 -2.788 662 HA ALA 87 HA ALA 87 -2.159 -27.559 -0.544 663 HB1 ALA 87 1HB ALA 87 -1.658 -29.311 -2.191 664 HB2 ALA 87 2HB ALA 87 -3.173 -28.481 -2.547 665 HB3 ALA 87 3HB ALA 87 -1.722 -28.107 -3.478 666 H ALA 88 H ALA 88 -0.233 -25.415 -2.303 667 HA ALA 88 HA ALA 88 2.252 -26.807 -1.600 668 HB1 ALA 88 1HB ALA 88 3.373 -25.309 -3.112 669 HB2 ALA 88 2HB ALA 88 1.971 -26.004 -3.926 670 HB3 ALA 88 3HB ALA 88 1.905 -24.352 -3.313 671 H GLY 89 H GLY 89 0.323 -24.018 -0.831 672 HA2 GLY 89 2HA GLY 89 2.470 -22.858 0.788 673 HA3 GLY 89 3HA GLY 89 0.927 -22.102 0.420 674 H ASP 90 H ASP 90 -0.994 -23.546 1.299 675 HA ASP 90 HA ASP 90 -1.040 -23.314 4.041 676 HB2 ASP 90 2HB ASP 90 -3.124 -23.550 2.978 677 HB3 ASP 90 3HB ASP 90 -2.636 -25.027 2.152 678 H THR 91 H THR 91 0.477 -24.189 5.319 679 HA THR 91 HA THR 91 0.953 -27.090 5.092 680 HB THR 91 HB THR 91 3.138 -26.534 6.338 681 HG1 THR 91 HG1 THR 91 3.673 -24.479 6.516 682 HG21 THR 91 3HG2 THR 91 3.917 -25.443 3.932 683 HG22 THR 91 1HG2 THR 91 2.443 -26.314 3.513 684 HG23 THR 91 2HG2 THR 91 3.781 -27.165 4.285 685 H ASP 92 H ASP 92 0.789 -24.371 7.373 686 HA ASP 92 HA ASP 92 0.148 -26.293 9.509 687 HB2 ASP 92 2HB ASP 92 2.162 -24.666 9.693 688 HB3 ASP 92 3HB ASP 92 0.939 -23.435 9.998 689 H GLY 93 H GLY 93 -1.753 -25.333 7.533 690 HA2 GLY 93 2HA GLY 93 -3.630 -23.999 9.378 691 HA3 GLY 93 3HA GLY 93 -3.485 -23.478 7.706 692 H ASP 94 H ASP 94 -5.935 -24.092 8.392 693 HA ASP 94 HA ASP 94 -6.374 -26.842 7.429 694 HB2 ASP 94 2HB ASP 94 -7.168 -26.358 9.759 695 HB3 ASP 94 3HB ASP 94 -8.281 -25.175 9.079 696 H GLY 95 H GLY 95 -6.070 -25.794 5.274 697 HA2 GLY 95 2HA GLY 95 -7.212 -25.443 3.271 698 HA3 GLY 95 3HA GLY 95 -8.678 -25.134 4.189 699 H LYS 96 H LYS 96 -5.739 -23.473 4.993 700 HA LYS 96 HA LYS 96 -6.440 -21.130 3.425 701 HB2 LYS 96 2HB LYS 96 -6.217 -20.884 6.424 702 HB3 LYS 96 3HB LYS 96 -6.691 -19.640 5.275 703 HG2 LYS 96 2HG LYS 96 -8.751 -20.826 4.798 704 HG3 LYS 96 3HG LYS 96 -8.269 -22.133 5.883 705 HD2 LYS 96 2HD LYS 96 -8.153 -20.391 7.715 706 HD3 LYS 96 3HD LYS 96 -8.947 -19.285 6.591 707 HE2 LYS 96 2HE LYS 96 -10.746 -21.066 6.355 708 HE3 LYS 96 3HE LYS 96 -10.008 -21.850 7.751 709 HZ1 LYS 96 3HZ LYS 96 -10.809 -19.011 7.857 710 HZ2 LYS 96 1HZ LYS 96 -10.572 -20.095 9.134 711 HZ3 LYS 96 2HZ LYS 96 -11.935 -20.240 8.145 712 H ILE 97 H ILE 97 -4.826 -19.297 3.967 713 HA ILE 97 HA ILE 97 -2.207 -20.374 4.723 714 HB ILE 97 HB ILE 97 -2.804 -18.907 2.156 715 HG12 ILE 97 2HG1 ILE 97 -1.543 -21.597 2.732 716 HG13 ILE 97 3HG1 ILE 97 -3.152 -21.327 2.072 717 HG21 ILE 97 1HG2 ILE 97 -0.365 -18.948 1.766 718 HG22 ILE 97 2HG2 ILE 97 -0.825 -17.929 3.129 719 HG23 ILE 97 3HG2 ILE 97 -0.137 -19.528 3.416 720 HD11 ILE 97 3HD1 ILE 97 -0.552 -20.609 0.741 721 HD12 ILE 97 1HD1 ILE 97 -1.590 -21.976 0.337 722 HD13 ILE 97 2HD1 ILE 97 -2.161 -20.327 0.078 723 H GLY 98 H GLY 98 -1.291 -19.104 6.188 724 HA2 GLY 98 2HA GLY 98 -2.257 -16.351 6.473 725 HA3 GLY 98 3HA GLY 98 -1.367 -17.264 7.683 726 H VAL 99 H VAL 99 0.645 -16.617 8.002 727 HA VAL 99 HA VAL 99 2.030 -15.223 5.805 728 HB VAL 99 HB VAL 99 3.448 -14.656 8.118 729 HG11 VAL 99 1HG1 VAL 99 2.988 -12.475 7.593 730 HG12 VAL 99 2HG1 VAL 99 2.549 -13.260 6.074 731 HG13 VAL 99 3HG1 VAL 99 1.295 -12.804 7.228 732 HG21 VAL 99 3HG2 VAL 99 1.746 -13.800 9.685 733 HG22 VAL 99 1HG2 VAL 99 0.490 -14.550 8.699 734 HG23 VAL 99 2HG2 VAL 99 1.687 -15.555 9.518 735 H GLU 100 H GLU 100 2.736 -17.217 8.680 736 HA GLU 100 HA GLU 100 5.341 -17.908 8.051 737 HB2 GLU 100 2HB GLU 100 3.305 -18.822 9.880 738 HB3 GLU 100 3HB GLU 100 4.210 -20.189 9.245 739 HG2 GLU 100 2HG GLU 100 5.462 -17.761 10.503 740 HG3 GLU 100 3HG GLU 100 5.118 -19.265 11.355 741 H GLU 101 H GLU 101 2.338 -19.172 6.798 742 HA GLU 101 HA GLU 101 3.646 -21.377 5.441 743 HB2 GLU 101 2HB GLU 101 0.789 -20.450 5.134 744 HB3 GLU 101 3HB GLU 101 1.454 -22.020 4.706 745 HG2 GLU 101 2HG GLU 101 0.431 -22.529 6.675 746 HG3 GLU 101 3HG GLU 101 2.044 -22.118 7.256 747 H PHE 102 H PHE 102 2.715 -18.125 4.795 748 HA PHE 102 HA PHE 102 2.556 -18.320 1.958 749 HB2 PHE 102 2HB PHE 102 1.533 -16.475 3.276 750 HB3 PHE 102 3HB PHE 102 3.148 -15.883 3.650 751 HD1 PHE 102 HD1 PHE 102 0.736 -16.459 0.916 752 HD2 PHE 102 HD2 PHE 102 4.350 -14.558 2.116 753 HE1 PHE 102 HE1 PHE 102 0.723 -15.133 -1.157 754 HE2 PHE 102 HE2 PHE 102 4.342 -13.228 0.046 755 HZ PHE 102 HZ PHE 102 2.527 -13.514 -1.593 756 H GLN 103 H GLN 103 5.047 -16.861 4.058 757 HA GLN 103 HA GLN 103 6.945 -16.545 1.996 758 HB2 GLN 103 2HB GLN 103 8.572 -16.226 3.858 759 HB3 GLN 103 3HB GLN 103 7.130 -15.229 3.999 760 HG2 GLN 103 2HG GLN 103 6.219 -16.677 5.676 761 HG3 GLN 103 3HG GLN 103 7.534 -17.830 5.453 762 HE21 GLN 103 1HE2 GLN 103 8.293 -17.747 7.522 763 HE22 GLN 103 2HE2 GLN 103 9.044 -16.350 8.206 764 H SER 104 H SER 104 5.946 -19.285 3.765 765 HA SER 104 HA SER 104 8.397 -20.766 3.535 766 HB2 SER 104 2HB SER 104 6.996 -21.389 5.350 767 HB3 SER 104 3HB SER 104 5.579 -21.524 4.308 768 HG SER 104 HG SER 104 7.164 -23.454 5.005 769 H LEU 105 H LEU 105 6.179 -19.804 1.302 770 HA LEU 105 HA LEU 105 6.677 -22.157 -0.401 771 HB2 LEU 105 2HB LEU 105 4.363 -22.093 -0.069 772 HB3 LEU 105 3HB LEU 105 4.306 -20.335 -0.189 773 HG LEU 105 HG LEU 105 5.124 -21.863 -2.604 774 HD11 LEU 105 1HD1 LEU 105 3.288 -23.207 -2.072 775 HD12 LEU 105 2HD1 LEU 105 2.635 -21.991 -3.171 776 HD13 LEU 105 3HD1 LEU 105 2.362 -21.848 -1.434 777 HD21 LEU 105 3HD2 LEU 105 4.712 -19.240 -2.084 778 HD22 LEU 105 1HD2 LEU 105 3.124 -19.710 -2.692 779 HD23 LEU 105 2HD2 LEU 105 4.560 -19.972 -3.683 780 H VAL 106 H VAL 106 6.467 -18.641 -0.260 781 HA VAL 106 HA VAL 106 7.097 -18.123 -2.958 782 HB VAL 106 HB VAL 106 7.715 -16.372 -0.576 783 HG11 VAL 106 1HG1 VAL 106 8.737 -15.185 -2.192 784 HG12 VAL 106 2HG1 VAL 106 7.884 -16.022 -3.491 785 HG13 VAL 106 3HG1 VAL 106 7.095 -14.707 -2.619 786 HG21 VAL 106 3HG2 VAL 106 5.401 -15.482 -1.895 787 HG22 VAL 106 1HG2 VAL 106 5.201 -17.219 -1.665 788 HG23 VAL 106 2HG2 VAL 106 5.521 -16.177 -0.278 789 H LYS 107 H LYS 107 9.132 -18.385 -0.065 790 HA LYS 107 HA LYS 107 11.573 -17.729 -1.294 791 HB2 LYS 107 2HB LYS 107 10.996 -19.454 1.120 792 HB3 LYS 107 3HB LYS 107 12.604 -18.922 0.649 793 HG2 LYS 107 2HG LYS 107 10.462 -16.892 1.058 794 HG3 LYS 107 3HG LYS 107 11.249 -17.622 2.459 795 HD2 LYS 107 2HD LYS 107 12.788 -16.381 0.188 796 HD3 LYS 107 3HD LYS 107 12.256 -15.460 1.597 797 HE2 LYS 107 2HE LYS 107 13.998 -17.922 1.682 798 HE3 LYS 107 3HE LYS 107 14.582 -16.262 1.797 799 HZ1 LYS 107 3HZ LYS 107 12.990 -16.084 3.763 800 HZ2 LYS 107 1HZ LYS 107 14.414 -16.970 3.990 801 HZ3 LYS 107 2HZ LYS 107 12.947 -17.775 3.737 802 H ALA 108 H ALA 108 9.615 -20.502 -1.554 803 HA ALA 108 HA ALA 108 11.772 -22.295 -2.289 804 HB1 ALA 108 1HB ALA 108 9.607 -22.947 -1.078 805 HB2 ALA 108 2HB ALA 108 8.852 -22.863 -2.671 806 HB3 ALA 108 3HB ALA 108 10.175 -23.993 -2.380 Start of MODEL 10 1 H1 ALA 1 H ALA 1 1.099 0.506 -0.407 2 HA ALA 1 HA ALA 1 -0.077 -0.408 -2.919 3 HB1 ALA 1 1HB ALA 1 0.655 1.776 -3.534 4 HB2 ALA 1 2HB ALA 1 2.219 1.534 -2.754 5 HB3 ALA 1 3HB ALA 1 1.807 0.620 -4.204 6 H ILE 2 H ILE 2 1.711 -1.569 -4.247 7 HA ILE 2 HA ILE 2 3.125 -3.336 -2.379 8 HB ILE 2 HB ILE 2 1.556 -4.433 -3.908 9 HG12 ILE 2 2HG1 ILE 2 3.116 -6.118 -4.830 10 HG13 ILE 2 3HG1 ILE 2 4.460 -5.023 -4.526 11 HG21 ILE 2 1HG2 ILE 2 1.433 -4.042 -6.110 12 HG22 ILE 2 2HG2 ILE 2 2.377 -2.597 -5.752 13 HG23 ILE 2 3HG2 ILE 2 3.185 -4.063 -6.308 14 HD11 ILE 2 3HD1 ILE 2 4.092 -5.158 -2.155 15 HD12 ILE 2 1HD1 ILE 2 2.645 -6.136 -2.402 16 HD13 ILE 2 2HD1 ILE 2 4.230 -6.784 -2.824 17 H THR 3 H THR 3 3.600 -1.216 -5.123 18 HA THR 3 HA THR 3 6.193 -1.924 -5.858 19 HB THR 3 HB THR 3 6.414 0.371 -6.747 20 HG1 THR 3 HG1 THR 3 3.865 0.812 -5.546 21 HG21 THR 3 3HG2 THR 3 3.741 0.041 -7.670 22 HG22 THR 3 1HG2 THR 3 4.445 -1.558 -7.433 23 HG23 THR 3 2HG2 THR 3 5.246 -0.389 -8.483 24 H ASP 4 H ASP 4 5.043 -0.269 -3.061 25 HA ASP 4 HA ASP 4 7.316 1.204 -2.346 26 HB2 ASP 4 2HB ASP 4 5.057 -0.005 -0.776 27 HB3 ASP 4 3HB ASP 4 6.393 0.794 0.049 28 H ILE 5 H ILE 5 6.730 -2.179 -2.339 29 HA ILE 5 HA ILE 5 9.182 -2.623 -0.765 30 HB ILE 5 HB ILE 5 7.304 -4.873 -1.249 31 HG12 ILE 5 2HG1 ILE 5 6.781 -2.647 0.731 32 HG13 ILE 5 3HG1 ILE 5 5.754 -3.114 -0.620 33 HG21 ILE 5 1HG2 ILE 5 9.470 -5.106 -0.056 34 HG22 ILE 5 2HG2 ILE 5 8.849 -4.035 1.198 35 HG23 ILE 5 3HG2 ILE 5 8.076 -5.593 0.907 36 HD11 ILE 5 3HD1 ILE 5 4.765 -3.985 1.336 37 HD12 ILE 5 1HD1 ILE 5 5.498 -5.349 0.493 38 HD13 ILE 5 2HD1 ILE 5 6.298 -4.649 1.901 39 H LEU 6 H LEU 6 7.288 -3.932 -3.482 40 HA LEU 6 HA LEU 6 9.681 -5.239 -4.525 41 HB2 LEU 6 2HB LEU 6 6.785 -5.560 -4.845 42 HB3 LEU 6 3HB LEU 6 7.706 -5.748 -6.336 43 HG LEU 6 HG LEU 6 8.928 -7.587 -5.441 44 HD11 LEU 6 1HD1 LEU 6 8.146 -6.433 -2.906 45 HD12 LEU 6 2HD1 LEU 6 9.462 -7.543 -3.284 46 HD13 LEU 6 3HD1 LEU 6 7.847 -8.170 -2.959 47 HD21 LEU 6 3HD2 LEU 6 6.140 -8.083 -4.459 48 HD22 LEU 6 1HD2 LEU 6 7.241 -9.185 -5.286 49 HD23 LEU 6 2HD2 LEU 6 6.480 -7.867 -6.177 50 H SER 7 H SER 7 9.521 -5.195 -7.145 51 HA SER 7 HA SER 7 9.539 -2.338 -7.870 52 HB2 SER 7 2HB SER 7 11.367 -4.581 -8.732 53 HB3 SER 7 3HB SER 7 11.280 -3.045 -9.593 54 HG SER 7 HG SER 7 12.239 -3.596 -7.014 55 H ALA 8 H ALA 8 8.063 -1.784 -9.316 56 HA ALA 8 HA ALA 8 6.305 -3.539 -10.567 57 HB1 ALA 8 1HB ALA 8 6.819 -0.700 -10.590 58 HB2 ALA 8 2HB ALA 8 6.364 -1.280 -12.193 59 HB3 ALA 8 3HB ALA 8 5.302 -1.571 -10.815 60 H LYS 9 H LYS 9 9.448 -2.413 -11.556 61 HA LYS 9 HA LYS 9 9.204 -3.223 -14.293 62 HB2 LYS 9 2HB LYS 9 10.867 -1.530 -13.095 63 HB3 LYS 9 3HB LYS 9 11.870 -2.970 -12.982 64 HG2 LYS 9 2HG LYS 9 12.566 -1.985 -14.957 65 HG3 LYS 9 3HG LYS 9 11.427 -3.218 -15.504 66 HD2 LYS 9 2HD LYS 9 9.768 -1.643 -15.976 67 HD3 LYS 9 3HD LYS 9 10.526 -0.407 -14.970 68 HE2 LYS 9 2HE LYS 9 12.405 -0.315 -16.581 69 HE3 LYS 9 3HE LYS 9 11.547 -1.467 -17.604 70 HZ1 LYS 9 3HZ LYS 9 10.243 1.045 -16.785 71 HZ2 LYS 9 1HZ LYS 9 9.937 0.076 -18.137 72 HZ3 LYS 9 2HZ LYS 9 11.327 1.037 -18.083 73 H ASP 10 H ASP 10 9.842 -4.830 -11.348 74 HA ASP 10 HA ASP 10 11.031 -7.129 -12.735 75 HB2 ASP 10 2HB ASP 10 10.762 -6.706 -9.754 76 HB3 ASP 10 3HB ASP 10 11.738 -7.922 -10.575 77 H ILE 11 H ILE 11 8.175 -6.031 -11.134 78 HA ILE 11 HA ILE 11 7.061 -8.592 -10.559 79 HB ILE 11 HB ILE 11 5.724 -5.901 -10.862 80 HG12 ILE 11 2HG1 ILE 11 6.101 -7.341 -8.269 81 HG13 ILE 11 3HG1 ILE 11 7.473 -6.489 -8.970 82 HG21 ILE 11 1HG2 ILE 11 4.662 -8.595 -10.130 83 HG22 ILE 11 2HG2 ILE 11 3.951 -7.147 -9.420 84 HG23 ILE 11 3HG2 ILE 11 3.960 -7.357 -11.171 85 HD11 ILE 11 3HD1 ILE 11 6.007 -5.259 -7.274 86 HD12 ILE 11 1HD1 ILE 11 6.445 -4.418 -8.761 87 HD13 ILE 11 2HD1 ILE 11 4.838 -5.126 -8.588 88 H GLU 12 H GLU 12 6.521 -6.224 -13.160 89 HA GLU 12 HA GLU 12 4.635 -7.798 -14.565 90 HB2 GLU 12 2HB GLU 12 6.410 -5.526 -15.463 91 HB3 GLU 12 3HB GLU 12 5.177 -6.257 -16.481 92 HG2 GLU 12 2HG GLU 12 3.524 -5.677 -14.654 93 HG3 GLU 12 3HG GLU 12 4.804 -4.693 -13.948 94 H SER 13 H SER 13 8.072 -7.861 -14.378 95 HA SER 13 HA SER 13 8.433 -9.300 -16.861 96 HB2 SER 13 2HB SER 13 10.320 -8.561 -14.620 97 HB3 SER 13 3HB SER 13 10.817 -9.510 -16.021 98 HG SER 13 HG SER 13 10.181 -7.750 -17.337 99 H ALA 14 H ALA 14 7.266 -10.126 -13.897 100 HA ALA 14 HA ALA 14 8.254 -12.895 -14.123 101 HB1 ALA 14 1HB ALA 14 8.446 -13.073 -11.879 102 HB2 ALA 14 2HB ALA 14 8.629 -11.322 -11.984 103 HB3 ALA 14 3HB ALA 14 7.065 -12.021 -11.566 104 H LEU 15 H LEU 15 5.515 -10.821 -14.102 105 HA LEU 15 HA LEU 15 3.484 -12.567 -13.317 106 HB2 LEU 15 2HB LEU 15 3.651 -10.113 -14.966 107 HB3 LEU 15 3HB LEU 15 2.193 -11.090 -15.132 108 HG LEU 15 HG LEU 15 3.144 -10.194 -12.433 109 HD11 LEU 15 1HD1 LEU 15 2.916 -8.078 -13.154 110 HD12 LEU 15 2HD1 LEU 15 1.191 -8.420 -13.019 111 HD13 LEU 15 3HD1 LEU 15 1.996 -8.551 -14.582 112 HD21 LEU 15 3HD2 LEU 15 0.743 -11.433 -13.606 113 HD22 LEU 15 1HD2 LEU 15 0.448 -10.177 -12.404 114 HD23 LEU 15 2HD2 LEU 15 1.427 -11.584 -11.987 115 H SER 16 H SER 16 5.152 -12.209 -16.382 116 HA SER 16 HA SER 16 3.529 -14.405 -17.486 117 HB2 SER 16 2HB SER 16 3.648 -12.100 -18.668 118 HB3 SER 16 3HB SER 16 5.270 -12.600 -19.148 119 HG SER 16 HG SER 16 4.255 -13.562 -20.717 120 H SER 17 H SER 17 6.265 -14.044 -15.881 121 HA SER 17 HA SER 17 8.289 -15.181 -17.441 122 HB2 SER 17 2HB SER 17 9.221 -14.412 -15.512 123 HB3 SER 17 3HB SER 17 7.793 -14.791 -14.550 124 HG SER 17 HG SER 17 9.660 -16.105 -14.074 125 H CYS 18 H CYS 18 6.225 -16.799 -15.020 126 HA CYS 18 HA CYS 18 6.914 -19.382 -16.191 127 HB2 CYS 18 2HB CYS 18 5.194 -18.860 -13.764 128 HB3 CYS 18 3HB CYS 18 5.970 -20.371 -14.222 129 HG CYS 18 HG CYS 18 7.464 -19.608 -12.118 130 H GLN 19 H GLN 19 5.291 -17.638 -17.746 131 HA GLN 19 HA GLN 19 2.754 -19.137 -17.758 132 HB2 GLN 19 2HB GLN 19 3.207 -16.286 -18.658 133 HB3 GLN 19 3HB GLN 19 1.679 -17.155 -18.721 134 HG2 GLN 19 2HG GLN 19 3.154 -16.691 -16.151 135 HG3 GLN 19 3HG GLN 19 2.004 -15.528 -16.809 136 HE21 GLN 19 1HE2 GLN 19 2.236 -17.715 -14.530 137 HE22 GLN 19 2HE2 GLN 19 0.638 -18.372 -14.515 138 H ALA 20 H ALA 20 5.416 -19.531 -19.143 139 HA ALA 20 HA ALA 20 4.351 -19.640 -21.889 140 HB1 ALA 20 1HB ALA 20 6.191 -17.929 -21.485 141 HB2 ALA 20 2HB ALA 20 7.272 -19.307 -21.276 142 HB3 ALA 20 3HB ALA 20 6.433 -19.068 -22.809 143 H ALA 21 H ALA 21 6.119 -21.155 -23.159 144 HA ALA 21 HA ALA 21 5.595 -23.768 -22.177 145 HB1 ALA 21 1HB ALA 21 5.721 -23.888 -24.428 146 HB2 ALA 21 2HB ALA 21 6.920 -22.599 -24.541 147 HB3 ALA 21 3HB ALA 21 7.418 -24.230 -24.092 148 H ASP 22 H ASP 22 6.545 -24.006 -20.157 149 HA ASP 22 HA ASP 22 8.179 -24.395 -18.615 150 HB2 ASP 22 2HB ASP 22 9.609 -25.395 -21.087 151 HB3 ASP 22 3HB ASP 22 10.094 -25.742 -19.430 152 H SER 23 H SER 23 8.167 -21.815 -19.007 153 HA SER 23 HA SER 23 10.756 -20.847 -19.883 154 HB2 SER 23 2HB SER 23 9.041 -19.367 -20.480 155 HB3 SER 23 3HB SER 23 8.227 -19.533 -18.925 156 HG SER 23 HG SER 23 9.996 -17.700 -19.658 157 H PHE 24 H PHE 24 9.079 -21.550 -16.913 158 HA PHE 24 HA PHE 24 10.664 -20.091 -15.120 159 HB2 PHE 24 2HB PHE 24 8.526 -21.142 -14.494 160 HB3 PHE 24 3HB PHE 24 9.260 -22.733 -14.665 161 HD1 PHE 24 HD2 PHE 24 10.571 -19.634 -13.077 162 HD2 PHE 24 HD1 PHE 24 9.290 -23.659 -12.550 163 HE1 PHE 24 HE2 PHE 24 11.287 -19.551 -10.725 164 HE2 PHE 24 HE1 PHE 24 10.004 -23.582 -10.197 165 HZ PHE 24 HZ PHE 24 11.005 -21.526 -9.281 166 H ASN 25 H ASN 25 12.811 -20.325 -15.954 167 HA ASN 25 HA ASN 25 14.054 -22.924 -15.337 168 HB2 ASN 25 2HB ASN 25 14.138 -21.962 -17.736 169 HB3 ASN 25 3HB ASN 25 15.311 -20.821 -17.085 170 HD21 ASN 25 1HD2 ASN 25 17.099 -21.524 -18.108 171 HD22 ASN 25 2HD2 ASN 25 17.787 -23.096 -17.898 172 H TYR 26 H TYR 26 16.429 -22.691 -14.714 173 HA TYR 26 HA TYR 26 16.674 -21.425 -12.284 174 HB2 TYR 26 2HB TYR 26 19.017 -21.896 -12.385 175 HB3 TYR 26 3HB TYR 26 18.190 -23.204 -13.224 176 HD1 TYR 26 HD2 TYR 26 20.354 -20.268 -13.624 177 HD2 TYR 26 HD1 TYR 26 18.441 -23.509 -15.608 178 HE1 TYR 26 HE2 TYR 26 21.759 -19.877 -15.604 179 HE2 TYR 26 HE1 TYR 26 19.842 -23.128 -17.594 180 HH TYR 26 HH TYR 26 22.558 -21.589 -17.659 181 H LYS 27 H LYS 27 17.192 -20.134 -15.480 182 HA LYS 27 HA LYS 27 18.587 -17.784 -14.664 183 HB2 LYS 27 2HB LYS 27 17.266 -18.713 -17.179 184 HB3 LYS 27 3HB LYS 27 17.677 -17.011 -17.016 185 HG2 LYS 27 2HG LYS 27 20.021 -17.976 -16.328 186 HG3 LYS 27 3HG LYS 27 19.457 -19.382 -17.232 187 HD2 LYS 27 2HD LYS 27 19.251 -16.643 -18.421 188 HD3 LYS 27 3HD LYS 27 20.785 -17.516 -18.461 189 HE2 LYS 27 2HE LYS 27 19.925 -19.210 -19.804 190 HE3 LYS 27 3HE LYS 27 18.256 -18.828 -19.385 191 HZ1 LYS 27 3HZ LYS 27 19.755 -17.907 -21.568 192 HZ2 LYS 27 1HZ LYS 27 19.375 -16.575 -20.597 193 HZ3 LYS 27 2HZ LYS 27 18.142 -17.572 -21.186 194 H SER 28 H SER 28 15.213 -18.425 -15.592 195 HA SER 28 HA SER 28 14.225 -15.841 -15.291 196 HB2 SER 28 2HB SER 28 13.100 -18.067 -16.154 197 HB3 SER 28 3HB SER 28 12.528 -18.173 -14.489 198 HG SER 28 HG SER 28 11.167 -17.003 -16.080 199 H PHE 29 H PHE 29 14.827 -18.341 -12.902 200 HA PHE 29 HA PHE 29 13.434 -17.232 -10.742 201 HB2 PHE 29 2HB PHE 29 14.297 -19.506 -10.672 202 HB3 PHE 29 3HB PHE 29 15.951 -18.910 -10.756 203 HD1 PHE 29 HD1 PHE 29 16.909 -17.664 -8.837 204 HD2 PHE 29 HD2 PHE 29 13.123 -19.598 -8.624 205 HE1 PHE 29 HE1 PHE 29 17.000 -17.565 -6.380 206 HE2 PHE 29 HE2 PHE 29 13.208 -19.501 -6.167 207 HZ PHE 29 HZ PHE 29 15.148 -18.483 -5.042 208 H PHE 30 H PHE 30 16.447 -16.362 -12.210 209 HA PHE 30 HA PHE 30 17.373 -14.788 -9.979 210 HB2 PHE 30 2HB PHE 30 18.364 -14.814 -12.837 211 HB3 PHE 30 3HB PHE 30 19.204 -14.139 -11.445 212 HD1 PHE 30 HD1 PHE 30 18.441 -16.449 -9.551 213 HD2 PHE 30 HD2 PHE 30 20.098 -16.323 -13.469 214 HE1 PHE 30 HE1 PHE 30 19.531 -18.620 -9.156 215 HE2 PHE 30 HE2 PHE 30 21.190 -18.493 -13.081 216 HZ PHE 30 HZ PHE 30 20.907 -19.645 -10.923 217 H SER 31 H SER 31 15.744 -14.222 -13.046 218 HA SER 31 HA SER 31 15.789 -11.345 -12.689 219 HB2 SER 31 2HB SER 31 15.325 -13.166 -14.876 220 HB3 SER 31 3HB SER 31 13.998 -12.010 -14.761 221 HG SER 31 HG SER 31 15.347 -10.761 -15.789 222 H THR 32 H THR 32 14.122 -13.658 -11.206 223 HA THR 32 HA THR 32 11.425 -13.135 -11.439 224 HB THR 32 HB THR 32 12.769 -13.658 -8.788 225 HG1 THR 32 HG1 THR 32 12.636 -15.876 -9.386 226 HG21 THR 32 3HG2 THR 32 10.585 -15.149 -8.718 227 HG22 THR 32 1HG2 THR 32 10.021 -13.964 -9.895 228 HG23 THR 32 2HG2 THR 32 10.540 -13.438 -8.294 229 H VAL 33 H VAL 33 9.974 -11.920 -10.034 230 HA VAL 33 HA VAL 33 10.373 -9.220 -10.015 231 HB VAL 33 HB VAL 33 8.175 -9.981 -9.627 232 HG11 VAL 33 1HG1 VAL 33 7.687 -11.126 -7.342 233 HG12 VAL 33 2HG1 VAL 33 8.330 -12.082 -8.679 234 HG13 VAL 33 3HG1 VAL 33 9.401 -11.535 -7.388 235 HG21 VAL 33 3HG2 VAL 33 8.865 -7.889 -8.428 236 HG22 VAL 33 1HG2 VAL 33 7.461 -8.707 -7.741 237 HG23 VAL 33 2HG2 VAL 33 9.038 -8.860 -6.966 238 H GLY 34 H GLY 34 11.366 -11.541 -7.574 239 HA2 GLY 34 2HA GLY 34 13.459 -10.865 -6.396 240 HA3 GLY 34 3HA GLY 34 12.659 -9.328 -6.101 241 H LEU 35 H LEU 35 10.084 -10.892 -5.674 242 HA LEU 35 HA LEU 35 10.053 -10.899 -2.908 243 HB2 LEU 35 2HB LEU 35 8.250 -11.457 -4.967 244 HB3 LEU 35 3HB LEU 35 8.263 -12.903 -3.960 245 HG LEU 35 HG LEU 35 7.505 -10.100 -3.168 246 HD11 LEU 35 1HD1 LEU 35 5.586 -11.853 -2.301 247 HD12 LEU 35 2HD1 LEU 35 6.090 -12.561 -3.836 248 HD13 LEU 35 3HD1 LEU 35 5.511 -10.896 -3.781 249 HD21 LEU 35 3HD2 LEU 35 7.062 -11.274 -0.911 250 HD22 LEU 35 1HD2 LEU 35 8.707 -10.765 -1.296 251 HD23 LEU 35 2HD2 LEU 35 8.244 -12.458 -1.474 252 H SER 36 H SER 36 10.515 -13.655 -5.105 253 HA SER 36 HA SER 36 10.784 -15.610 -3.094 254 HB2 SER 36 2HB SER 36 12.035 -16.871 -4.975 255 HB3 SER 36 3HB SER 36 10.345 -16.446 -5.246 256 HG SER 36 HG SER 36 12.256 -15.891 -6.838 257 H SER 37 H SER 37 12.880 -13.136 -4.133 258 HA SER 37 HA SER 37 15.141 -14.418 -2.742 259 HB2 SER 37 2HB SER 37 15.270 -13.804 -5.301 260 HB3 SER 37 3HB SER 37 15.561 -12.178 -4.684 261 HG SER 37 HG SER 37 17.544 -13.074 -4.816 262 H LYS 38 H LYS 38 12.899 -12.702 -1.733 263 HA LYS 38 HA LYS 38 14.277 -10.268 -0.921 264 HB2 LYS 38 2HB LYS 38 11.478 -11.240 -0.899 265 HB3 LYS 38 3HB LYS 38 11.933 -10.157 0.410 266 HG2 LYS 38 2HG LYS 38 12.462 -9.485 -2.466 267 HG3 LYS 38 3HG LYS 38 10.927 -9.114 -1.677 268 HD2 LYS 38 2HD LYS 38 11.906 -7.594 -0.212 269 HD3 LYS 38 3HD LYS 38 13.521 -8.269 -0.438 270 HE2 LYS 38 2HE LYS 38 12.287 -7.214 -2.880 271 HE3 LYS 38 3HE LYS 38 12.587 -6.004 -1.634 272 HZ1 LYS 38 3HZ LYS 38 14.469 -6.255 -3.147 273 HZ2 LYS 38 1HZ LYS 38 14.618 -7.883 -2.713 274 HZ3 LYS 38 2HZ LYS 38 14.893 -6.673 -1.564 275 H THR 39 H THR 39 13.780 -9.664 1.501 276 HA THR 39 HA THR 39 15.082 -11.712 3.087 277 HB THR 39 HB THR 39 15.095 -8.904 3.118 278 HG1 THR 39 HG1 THR 39 16.597 -9.338 4.892 279 HG21 THR 39 3HG2 THR 39 14.486 -8.324 5.386 280 HG22 THR 39 1HG2 THR 39 14.018 -9.990 5.722 281 HG23 THR 39 2HG2 THR 39 13.089 -9.027 4.572 282 HA PRO 40 HA PRO 40 11.548 -13.225 5.211 283 HB2 PRO 40 2HB PRO 40 12.585 -13.727 7.669 284 HB3 PRO 40 3HB PRO 40 12.957 -14.713 6.250 285 HG2 PRO 40 2HG PRO 40 14.561 -12.519 7.506 286 HG3 PRO 40 3HG PRO 40 15.105 -14.088 6.884 287 HD2 PRO 40 2HD PRO 40 15.378 -11.790 5.479 288 HD3 PRO 40 3HD PRO 40 15.110 -13.361 4.697 289 H ASP 41 H ASP 41 10.718 -10.894 5.033 290 HA ASP 41 HA ASP 41 9.496 -10.155 7.425 291 HB2 ASP 41 2HB ASP 41 12.142 -9.266 7.362 292 HB3 ASP 41 3HB ASP 41 11.188 -7.849 6.936 293 H GLN 42 H GLN 42 10.640 -9.222 4.258 294 HA GLN 42 HA GLN 42 8.574 -7.202 3.954 295 HB2 GLN 42 2HB GLN 42 10.532 -8.216 1.890 296 HB3 GLN 42 3HB GLN 42 9.573 -6.745 1.804 297 HG2 GLN 42 2HG GLN 42 10.822 -5.739 3.566 298 HG3 GLN 42 3HG GLN 42 11.662 -7.252 3.905 299 HE21 GLN 42 1HE2 GLN 42 11.344 -4.583 1.686 300 HE22 GLN 42 2HE2 GLN 42 12.842 -4.831 0.862 301 H ILE 43 H ILE 43 9.024 -10.535 3.337 302 HA ILE 43 HA ILE 43 7.276 -10.835 1.124 303 HB ILE 43 HB ILE 43 8.047 -12.852 3.236 304 HG12 ILE 43 2HG1 ILE 43 9.159 -12.426 0.455 305 HG13 ILE 43 3HG1 ILE 43 9.940 -11.882 1.936 306 HG21 ILE 43 1HG2 ILE 43 7.481 -14.172 0.861 307 HG22 ILE 43 2HG2 ILE 43 6.486 -14.143 2.316 308 HG23 ILE 43 3HG2 ILE 43 6.192 -12.980 1.023 309 HD11 ILE 43 3HD1 ILE 43 10.631 -14.126 0.793 310 HD12 ILE 43 1HD1 ILE 43 10.552 -13.995 2.550 311 HD13 ILE 43 2HD1 ILE 43 9.231 -14.755 1.662 312 H LYS 44 H LYS 44 6.803 -10.815 4.605 313 HA LYS 44 HA LYS 44 4.124 -11.756 4.577 314 HB2 LYS 44 2HB LYS 44 4.043 -10.769 6.889 315 HB3 LYS 44 3HB LYS 44 5.346 -11.920 6.620 316 HG2 LYS 44 2HG LYS 44 6.966 -10.202 6.506 317 HG3 LYS 44 3HG LYS 44 5.729 -8.947 6.406 318 HD2 LYS 44 2HD LYS 44 6.330 -8.795 8.621 319 HD3 LYS 44 3HD LYS 44 4.981 -9.929 8.718 320 HE2 LYS 44 2HE LYS 44 6.763 -11.760 8.490 321 HE3 LYS 44 3HE LYS 44 7.926 -10.491 8.870 322 HZ1 LYS 44 3HZ LYS 44 7.502 -10.978 10.985 323 HZ2 LYS 44 1HZ LYS 44 6.129 -11.891 10.605 324 HZ3 LYS 44 2HZ LYS 44 6.007 -10.213 10.780 325 H LYS 45 H LYS 45 5.597 -8.584 4.312 326 HA LYS 45 HA LYS 45 3.218 -7.077 4.657 327 HB2 LYS 45 2HB LYS 45 5.970 -6.534 3.659 328 HB3 LYS 45 3HB LYS 45 4.708 -5.385 3.232 329 HG2 LYS 45 2HG LYS 45 4.986 -6.219 6.075 330 HG3 LYS 45 3HG LYS 45 6.145 -5.073 5.398 331 HD2 LYS 45 2HD LYS 45 4.573 -3.434 5.126 332 HD3 LYS 45 3HD LYS 45 3.251 -4.585 4.918 333 HE2 LYS 45 2HE LYS 45 2.989 -4.892 7.196 334 HE3 LYS 45 3HE LYS 45 4.631 -4.363 7.559 335 HZ1 LYS 45 3HZ LYS 45 2.742 -2.789 8.133 336 HZ2 LYS 45 1HZ LYS 45 2.613 -2.499 6.471 337 HZ3 LYS 45 2HZ LYS 45 4.051 -2.136 7.283 338 H VAL 46 H VAL 46 4.526 -8.866 2.025 339 HA VAL 46 HA VAL 46 2.947 -7.496 0.012 340 HB VAL 46 HB VAL 46 4.652 -9.982 -0.201 341 HG11 VAL 46 1HG1 VAL 46 3.166 -8.375 -2.261 342 HG12 VAL 46 2HG1 VAL 46 4.518 -9.431 -2.675 343 HG13 VAL 46 3HG1 VAL 46 3.064 -10.105 -1.939 344 HG21 VAL 46 3HG2 VAL 46 5.835 -7.837 0.345 345 HG22 VAL 46 1HG2 VAL 46 6.330 -8.594 -1.170 346 HG23 VAL 46 2HG2 VAL 46 5.250 -7.200 -1.192 347 H PHE 47 H PHE 47 2.626 -10.161 2.149 348 HA PHE 47 HA PHE 47 0.601 -11.516 0.595 349 HB2 PHE 47 2HB PHE 47 1.580 -13.133 1.852 350 HB3 PHE 47 3HB PHE 47 2.052 -12.004 3.118 351 HD1 PHE 47 HD2 PHE 47 -0.806 -13.934 1.774 352 HD2 PHE 47 HD1 PHE 47 0.816 -11.826 5.097 353 HE1 PHE 47 HE2 PHE 47 -2.636 -14.767 3.191 354 HE2 PHE 47 HE1 PHE 47 -1.011 -12.656 6.520 355 HZ PHE 47 HZ PHE 47 -2.741 -14.128 5.567 356 H GLY 48 H GLY 48 0.749 -9.054 3.015 357 HA2 GLY 48 2HA GLY 48 -1.920 -9.326 3.990 358 HA3 GLY 48 3HA GLY 48 -0.876 -7.927 4.196 359 H ILE 49 H ILE 49 -0.766 -8.319 1.018 360 HA ILE 49 HA ILE 49 -2.920 -6.392 0.576 361 HB ILE 49 HB ILE 49 -0.812 -7.234 -1.407 362 HG12 ILE 49 2HG1 ILE 49 -0.725 -4.907 0.526 363 HG13 ILE 49 3HG1 ILE 49 0.239 -6.373 0.665 364 HG21 ILE 49 1HG2 ILE 49 -2.664 -4.869 -1.212 365 HG22 ILE 49 2HG2 ILE 49 -1.317 -4.967 -2.345 366 HG23 ILE 49 3HG2 ILE 49 -2.644 -6.124 -2.450 367 HD11 ILE 49 3HD1 ILE 49 0.604 -5.261 -1.933 368 HD12 ILE 49 1HD1 ILE 49 0.856 -4.008 -0.719 369 HD13 ILE 49 2HD1 ILE 49 1.786 -5.505 -0.648 370 H LEU 50 H LEU 50 -2.316 -9.685 0.217 371 HA LEU 50 HA LEU 50 -3.958 -10.067 -2.135 372 HB2 LEU 50 2HB LEU 50 -3.250 -12.333 -0.358 373 HB3 LEU 50 3HB LEU 50 -3.275 -12.242 -2.118 374 HG LEU 50 HG LEU 50 -1.133 -11.140 -0.300 375 HD11 LEU 50 1HD1 LEU 50 -1.241 -13.517 -2.142 376 HD12 LEU 50 2HD1 LEU 50 -0.951 -13.505 -0.403 377 HD13 LEU 50 3HD1 LEU 50 0.259 -12.844 -1.502 378 HD21 LEU 50 3HD2 LEU 50 -0.338 -11.253 -3.017 379 HD22 LEU 50 1HD2 LEU 50 -0.500 -9.837 -1.978 380 HD23 LEU 50 2HD2 LEU 50 -1.873 -10.386 -2.940 381 H ASP 51 H ASP 51 -4.170 -10.965 1.307 382 HA ASP 51 HA ASP 51 -6.644 -12.137 1.360 383 HB2 ASP 51 2HB ASP 51 -4.905 -11.574 3.270 384 HB3 ASP 51 3HB ASP 51 -5.979 -10.204 3.539 385 H GLN 52 H GLN 52 -8.741 -11.301 2.084 386 HA GLN 52 HA GLN 52 -9.500 -9.010 0.526 387 HB2 GLN 52 2HB GLN 52 -11.785 -9.527 1.312 388 HB3 GLN 52 3HB GLN 52 -10.981 -10.925 0.613 389 HG2 GLN 52 2HG GLN 52 -10.412 -11.656 2.931 390 HG3 GLN 52 3HG GLN 52 -11.428 -10.345 3.528 391 HE21 GLN 52 1HE2 GLN 52 -12.036 -12.836 4.292 392 HE22 GLN 52 2HE2 GLN 52 -13.465 -13.395 3.498 393 H ASP 53 H ASP 53 -9.446 -9.816 3.982 394 HA ASP 53 HA ASP 53 -9.149 -6.997 4.619 395 HB2 ASP 53 2HB ASP 53 -11.534 -8.641 5.411 396 HB3 ASP 53 3HB ASP 53 -10.974 -7.329 6.444 397 H LYS 54 H LYS 54 -7.773 -9.722 4.847 398 HA LYS 54 HA LYS 54 -6.434 -10.838 6.313 399 HB2 LYS 54 2HB LYS 54 -6.459 -8.204 7.796 400 HB3 LYS 54 3HB LYS 54 -5.255 -9.476 7.954 401 HG2 LYS 54 2HG LYS 54 -5.732 -8.299 5.266 402 HG3 LYS 54 3HG LYS 54 -4.825 -7.364 6.457 403 HD2 LYS 54 2HD LYS 54 -4.015 -10.179 6.208 404 HD3 LYS 54 3HD LYS 54 -3.728 -9.191 4.773 405 HE2 LYS 54 2HE LYS 54 -2.789 -8.572 7.573 406 HE3 LYS 54 3HE LYS 54 -1.789 -9.191 6.260 407 HZ1 LYS 54 3HZ LYS 54 -2.782 -6.503 6.723 408 HZ2 LYS 54 1HZ LYS 54 -2.827 -7.027 5.115 409 HZ3 LYS 54 2HZ LYS 54 -1.362 -7.018 5.960 410 H SER 55 H SER 55 -8.699 -11.857 6.764 411 HA SER 55 HA SER 55 -9.631 -11.378 9.479 412 HB2 SER 55 2HB SER 55 -11.303 -13.210 8.846 413 HB3 SER 55 3HB SER 55 -11.405 -11.701 7.939 414 HG SER 55 HG SER 55 -11.225 -14.027 6.899 415 H GLY 56 H GLY 56 -7.017 -12.796 8.509 416 HA2 GLY 56 2HA GLY 56 -5.927 -14.143 10.308 417 HA3 GLY 56 3HA GLY 56 -7.347 -15.176 10.231 418 H PHE 57 H PHE 57 -7.795 -15.975 7.884 419 HA PHE 57 HA PHE 57 -5.246 -16.712 6.615 420 HB2 PHE 57 2HB PHE 57 -7.570 -18.610 6.963 421 HB3 PHE 57 3HB PHE 57 -5.965 -18.986 6.344 422 HD1 PHE 57 HD1 PHE 57 -4.001 -18.409 8.029 423 HD2 PHE 57 HD2 PHE 57 -8.042 -19.159 9.137 424 HE1 PHE 57 HE1 PHE 57 -3.264 -19.007 10.299 425 HE2 PHE 57 HE2 PHE 57 -7.312 -19.757 11.409 426 HZ PHE 57 HZ PHE 57 -4.921 -19.681 11.993 427 H ILE 58 H ILE 58 -5.227 -16.756 4.414 428 HA ILE 58 HA ILE 58 -7.274 -15.352 3.036 429 HB ILE 58 HB ILE 58 -4.707 -16.631 2.279 430 HG12 ILE 58 2HG1 ILE 58 -5.983 -13.984 1.558 431 HG13 ILE 58 3HG1 ILE 58 -4.909 -14.243 2.929 432 HG21 ILE 58 1HG2 ILE 58 -5.825 -17.586 0.507 433 HG22 ILE 58 2HG2 ILE 58 -7.015 -16.288 0.420 434 HG23 ILE 58 3HG2 ILE 58 -5.374 -16.020 -0.168 435 HD11 ILE 58 3HD1 ILE 58 -3.220 -15.064 1.179 436 HD12 ILE 58 1HD1 ILE 58 -4.273 -14.267 0.009 437 HD13 ILE 58 2HD1 ILE 58 -3.530 -13.332 1.307 438 H GLU 59 H GLU 59 -6.380 -18.759 3.260 439 HA GLU 59 HA GLU 59 -7.466 -20.669 2.670 440 HB2 GLU 59 2HB GLU 59 -9.915 -18.900 2.558 441 HB3 GLU 59 3HB GLU 59 -9.902 -20.654 2.681 442 HG2 GLU 59 2HG GLU 59 -9.258 -20.634 4.885 443 HG3 GLU 59 3HG GLU 59 -8.522 -19.037 4.767 444 H GLU 60 H GLU 60 -8.726 -21.731 0.890 445 HA GLU 60 HA GLU 60 -7.710 -20.948 -1.610 446 HB2 GLU 60 2HB GLU 60 -8.558 -23.267 -0.760 447 HB3 GLU 60 3HB GLU 60 -10.116 -22.719 -1.362 448 HG2 GLU 60 2HG GLU 60 -8.267 -22.200 -3.404 449 HG3 GLU 60 3HG GLU 60 -7.897 -23.813 -2.797 450 H GLU 61 H GLU 61 -10.396 -19.835 0.130 451 HA GLU 61 HA GLU 61 -12.129 -19.170 -2.017 452 HB2 GLU 61 2HB GLU 61 -11.895 -18.046 0.777 453 HB3 GLU 61 3HB GLU 61 -13.178 -17.622 -0.348 454 HG2 GLU 61 2HG GLU 61 -12.612 -20.383 0.707 455 HG3 GLU 61 3HG GLU 61 -13.896 -19.309 1.258 456 H GLU 62 H GLU 62 -9.744 -17.282 -0.176 457 HA GLU 62 HA GLU 62 -10.030 -15.066 -2.054 458 HB2 GLU 62 2HB GLU 62 -9.391 -15.271 0.700 459 HB3 GLU 62 3HB GLU 62 -7.975 -14.617 -0.111 460 HG2 GLU 62 2HG GLU 62 -9.156 -12.722 0.449 461 HG3 GLU 62 3HG GLU 62 -9.644 -12.995 -1.223 462 H LEU 63 H LEU 63 -8.201 -17.839 -1.743 463 HA LEU 63 HA LEU 63 -5.666 -16.885 -2.627 464 HB2 LEU 63 2HB LEU 63 -6.382 -19.139 -1.480 465 HB3 LEU 63 3HB LEU 63 -6.578 -19.675 -3.147 466 HG LEU 63 HG LEU 63 -4.178 -18.994 -3.526 467 HD11 LEU 63 1HD1 LEU 63 -4.500 -18.000 -0.878 468 HD12 LEU 63 2HD1 LEU 63 -3.098 -17.884 -1.942 469 HD13 LEU 63 3HD1 LEU 63 -3.273 -19.268 -0.863 470 HD21 LEU 63 3HD2 LEU 63 -3.622 -21.130 -3.180 471 HD22 LEU 63 1HD2 LEU 63 -5.273 -21.329 -2.594 472 HD23 LEU 63 2HD2 LEU 63 -3.962 -21.034 -1.452 473 H GLN 64 H GLN 64 -8.615 -17.798 -4.209 474 HA GLN 64 HA GLN 64 -7.544 -18.275 -6.792 475 HB2 GLN 64 2HB GLN 64 -9.777 -18.303 -7.560 476 HB3 GLN 64 3HB GLN 64 -9.837 -18.952 -5.927 477 HG2 GLN 64 2HG GLN 64 -10.605 -16.805 -5.084 478 HG3 GLN 64 3HG GLN 64 -10.511 -16.125 -6.708 479 HE21 GLN 64 1HE2 GLN 64 -12.712 -15.606 -6.644 480 HE22 GLN 64 2HE2 GLN 64 -13.934 -16.813 -6.837 481 H LEU 65 H LEU 65 -7.607 -15.499 -5.008 482 HA LEU 65 HA LEU 65 -7.833 -13.765 -7.373 483 HB2 LEU 65 2HB LEU 65 -7.739 -12.783 -4.545 484 HB3 LEU 65 3HB LEU 65 -8.394 -11.984 -5.973 485 HG LEU 65 HG LEU 65 -9.648 -14.429 -4.740 486 HD11 LEU 65 1HD1 LEU 65 -10.885 -13.178 -3.311 487 HD12 LEU 65 2HD1 LEU 65 -10.839 -11.748 -4.342 488 HD13 LEU 65 3HD1 LEU 65 -9.441 -12.166 -3.352 489 HD21 LEU 65 3HD2 LEU 65 -11.317 -12.527 -6.171 490 HD22 LEU 65 1HD2 LEU 65 -11.177 -14.275 -6.355 491 HD23 LEU 65 2HD2 LEU 65 -10.041 -13.208 -7.181 492 H PHE 66 H PHE 66 -5.500 -15.432 -6.459 493 HA PHE 66 HA PHE 66 -3.489 -13.742 -5.431 494 HB2 PHE 66 2HB PHE 66 -3.276 -16.172 -5.370 495 HB3 PHE 66 3HB PHE 66 -3.247 -16.234 -7.129 496 HD1 PHE 66 HD1 PHE 66 -1.382 -15.125 -4.145 497 HD2 PHE 66 HD2 PHE 66 -1.253 -15.866 -8.335 498 HE1 PHE 66 HE1 PHE 66 1.068 -14.901 -4.106 499 HE2 PHE 66 HE2 PHE 66 1.197 -15.644 -8.302 500 HZ PHE 66 HZ PHE 66 2.361 -15.162 -6.186 501 H LEU 67 H LEU 67 -4.778 -14.192 -8.618 502 HA LEU 67 HA LEU 67 -2.568 -12.814 -9.902 503 HB2 LEU 67 2HB LEU 67 -5.157 -13.949 -10.933 504 HB3 LEU 67 3HB LEU 67 -4.017 -13.069 -11.949 505 HG LEU 67 HG LEU 67 -3.370 -15.620 -10.475 506 HD11 LEU 67 1HD1 LEU 67 -4.928 -15.248 -12.807 507 HD12 LEU 67 2HD1 LEU 67 -4.352 -16.758 -12.101 508 HD13 LEU 67 3HD1 LEU 67 -3.373 -15.917 -13.302 509 HD21 LEU 67 3HD2 LEU 67 -1.587 -15.433 -12.474 510 HD22 LEU 67 1HD2 LEU 67 -1.300 -14.802 -10.853 511 HD23 LEU 67 2HD2 LEU 67 -1.841 -13.720 -12.137 512 H LYS 68 H LYS 68 -4.895 -11.748 -7.995 513 HA LYS 68 HA LYS 68 -5.682 -9.453 -9.639 514 HB2 LYS 68 2HB LYS 68 -6.643 -10.191 -6.871 515 HB3 LYS 68 3HB LYS 68 -7.346 -8.992 -7.949 516 HG2 LYS 68 2HG LYS 68 -7.253 -11.958 -8.463 517 HG3 LYS 68 3HG LYS 68 -8.655 -11.057 -7.881 518 HD2 LYS 68 2HD LYS 68 -7.528 -9.875 -10.276 519 HD3 LYS 68 3HD LYS 68 -7.987 -11.560 -10.528 520 HE2 LYS 68 2HE LYS 68 -10.008 -10.640 -10.949 521 HE3 LYS 68 3HE LYS 68 -10.149 -10.701 -9.193 522 HZ1 LYS 68 3HZ LYS 68 -9.932 -8.471 -9.004 523 HZ2 LYS 68 1HZ LYS 68 -10.573 -8.500 -10.570 524 HZ3 LYS 68 2HZ LYS 68 -8.906 -8.326 -10.342 525 H ASN 69 H ASN 69 -3.505 -10.358 -7.175 526 HA ASN 69 HA ASN 69 -3.209 -7.724 -6.035 527 HB2 ASN 69 2HB ASN 69 -2.763 -9.483 -4.523 528 HB3 ASN 69 3HB ASN 69 -1.745 -10.333 -5.682 529 HD21 ASN 69 1HD2 ASN 69 -1.890 -7.083 -4.255 530 HD22 ASN 69 2HD2 ASN 69 -0.214 -7.007 -3.843 531 H PHE 70 H PHE 70 -1.832 -9.541 -8.632 532 HA PHE 70 HA PHE 70 0.366 -7.625 -8.924 533 HB2 PHE 70 2HB PHE 70 -0.153 -10.224 -10.384 534 HB3 PHE 70 3HB PHE 70 1.268 -9.204 -10.584 535 HD1 PHE 70 HD2 PHE 70 -0.577 -11.272 -8.129 536 HD2 PHE 70 HD1 PHE 70 3.111 -9.417 -9.163 537 HE1 PHE 70 HE2 PHE 70 0.537 -12.474 -6.295 538 HE2 PHE 70 HE1 PHE 70 4.232 -10.617 -7.330 539 HZ PHE 70 HZ PHE 70 2.945 -12.147 -5.893 540 H SER 71 H SER 71 -2.261 -9.092 -10.818 541 HA SER 71 HA SER 71 -2.222 -6.703 -12.544 542 HB2 SER 71 2HB SER 71 -2.793 -8.058 -14.450 543 HB3 SER 71 3HB SER 71 -1.383 -8.784 -13.680 544 HG SER 71 HG SER 71 -2.744 -10.314 -12.734 545 H SER 72 H SER 72 -4.355 -6.410 -13.717 546 HA SER 72 HA SER 72 -6.562 -6.995 -11.854 547 HB2 SER 72 2HB SER 72 -6.264 -4.631 -13.723 548 HB3 SER 72 3HB SER 72 -7.607 -4.910 -12.614 549 HG SER 72 HG SER 72 -6.338 -3.667 -11.418 550 H SER 73 H SER 73 -5.342 -7.600 -14.917 551 HA SER 73 HA SER 73 -7.826 -7.799 -16.340 552 HB2 SER 73 2HB SER 73 -6.050 -7.428 -17.790 553 HB3 SER 73 3HB SER 73 -4.976 -8.523 -16.919 554 HG SER 73 HG SER 73 -5.517 -9.719 -18.615 555 H ALA 74 H ALA 74 -5.582 -10.108 -14.849 556 HA ALA 74 HA ALA 74 -6.910 -12.461 -15.567 557 HB1 ALA 74 1HB ALA 74 -4.692 -12.584 -14.704 558 HB2 ALA 74 2HB ALA 74 -5.180 -11.835 -13.183 559 HB3 ALA 74 3HB ALA 74 -5.744 -13.456 -13.589 560 H ARG 75 H ARG 75 -8.701 -13.448 -14.859 561 HA ARG 75 HA ARG 75 -10.474 -12.081 -13.093 562 HB2 ARG 75 2HB ARG 75 -11.644 -14.487 -13.340 563 HB3 ARG 75 3HB ARG 75 -11.743 -13.240 -14.577 564 HG2 ARG 75 2HG ARG 75 -10.299 -14.327 -15.986 565 HG3 ARG 75 3HG ARG 75 -9.491 -15.184 -14.671 566 HD2 ARG 75 2HD ARG 75 -10.744 -16.957 -15.149 567 HD3 ARG 75 3HD ARG 75 -12.149 -16.044 -14.601 568 HE ARG 75 HE ARG 75 -11.413 -16.639 -17.323 569 HH11 ARG 75 1HH1 ARG 75 -13.241 -14.552 -15.219 570 HH12 ARG 75 2HH1 ARG 75 -14.361 -14.074 -16.452 571 HH21 ARG 75 1HH2 ARG 75 -12.881 -16.017 -18.954 572 HH22 ARG 75 2HH2 ARG 75 -14.156 -14.909 -18.575 573 H VAL 76 H VAL 76 -9.597 -15.508 -12.824 574 HA VAL 76 HA VAL 76 -8.583 -15.170 -10.141 575 HB VAL 76 HB VAL 76 -10.269 -16.930 -9.286 576 HG11 VAL 76 1HG1 VAL 76 -10.061 -14.385 -8.782 577 HG12 VAL 76 2HG1 VAL 76 -11.539 -14.263 -9.738 578 HG13 VAL 76 3HG1 VAL 76 -11.509 -15.260 -8.283 579 HG21 VAL 76 3HG2 VAL 76 -11.978 -15.715 -11.447 580 HG22 VAL 76 1HG2 VAL 76 -11.223 -17.303 -11.583 581 HG23 VAL 76 2HG2 VAL 76 -12.412 -16.997 -10.316 582 H LEU 77 H LEU 77 -7.718 -17.152 -9.248 583 HA LEU 77 HA LEU 77 -6.216 -18.647 -11.010 584 HB2 LEU 77 2HB LEU 77 -7.199 -19.490 -8.288 585 HB3 LEU 77 3HB LEU 77 -5.849 -20.212 -9.162 586 HG LEU 77 HG LEU 77 -6.009 -17.552 -7.793 587 HD11 LEU 77 1HD1 LEU 77 -3.667 -18.442 -7.114 588 HD12 LEU 77 2HD1 LEU 77 -4.297 -19.997 -7.656 589 HD13 LEU 77 3HD1 LEU 77 -5.110 -19.121 -6.359 590 HD21 LEU 77 3HD2 LEU 77 -4.049 -18.353 -9.941 591 HD22 LEU 77 1HD2 LEU 77 -3.857 -16.971 -8.861 592 HD23 LEU 77 2HD2 LEU 77 -5.202 -17.018 -10.002 593 H THR 78 H THR 78 -6.307 -21.052 -11.324 594 HA THR 78 HA THR 78 -9.081 -21.950 -11.756 595 HB THR 78 HB THR 78 -7.849 -21.300 -13.874 596 HG1 THR 78 HG1 THR 78 -8.587 -23.227 -14.945 597 HG21 THR 78 3HG2 THR 78 -5.683 -22.399 -12.985 598 HG22 THR 78 1HG2 THR 78 -6.081 -22.582 -14.693 599 HG23 THR 78 2HG2 THR 78 -6.392 -23.905 -13.568 600 H SER 79 H SER 79 -8.644 -24.494 -12.602 601 HA SER 79 HA SER 79 -7.934 -25.807 -10.151 602 HB2 SER 79 2HB SER 79 -8.551 -27.883 -11.379 603 HB3 SER 79 3HB SER 79 -9.806 -26.647 -11.455 604 HG SER 79 HG SER 79 -9.640 -27.165 -13.520 605 H ALA 80 H ALA 80 -5.671 -24.677 -10.621 606 HA ALA 80 HA ALA 80 -3.809 -26.762 -10.931 607 HB1 ALA 80 1HB ALA 80 -3.055 -25.030 -13.097 608 HB2 ALA 80 2HB ALA 80 -3.280 -26.780 -13.087 609 HB3 ALA 80 3HB ALA 80 -4.654 -25.716 -13.385 610 H GLU 81 H GLU 81 -4.397 -23.289 -11.129 611 HA GLU 81 HA GLU 81 -1.734 -22.620 -10.242 612 HB2 GLU 81 2HB GLU 81 -4.199 -20.901 -10.573 613 HB3 GLU 81 3HB GLU 81 -2.588 -20.297 -10.213 614 HG2 GLU 81 2HG GLU 81 -1.900 -21.515 -12.382 615 HG3 GLU 81 3HG GLU 81 -3.627 -21.508 -12.738 616 H THR 82 H THR 82 -5.008 -22.420 -8.866 617 HA THR 82 HA THR 82 -4.219 -21.452 -6.341 618 HB THR 82 HB THR 82 -6.592 -23.149 -6.256 619 HG1 THR 82 HG1 THR 82 -7.741 -22.144 -7.845 620 HG21 THR 82 3HG2 THR 82 -6.790 -20.209 -6.100 621 HG22 THR 82 1HG2 THR 82 -5.709 -20.968 -4.933 622 HG23 THR 82 2HG2 THR 82 -7.405 -21.447 -5.005 623 H LYS 83 H LYS 83 -4.490 -24.692 -7.658 624 HA LYS 83 HA LYS 83 -4.201 -26.039 -5.155 625 HB2 LYS 83 2HB LYS 83 -3.721 -27.066 -7.958 626 HB3 LYS 83 3HB LYS 83 -3.888 -28.055 -6.513 627 HG2 LYS 83 2HG LYS 83 -6.073 -26.194 -7.362 628 HG3 LYS 83 3HG LYS 83 -5.908 -27.799 -8.079 629 HD2 LYS 83 2HD LYS 83 -6.046 -28.806 -5.853 630 HD3 LYS 83 3HD LYS 83 -6.201 -27.202 -5.133 631 HE2 LYS 83 2HE LYS 83 -8.309 -26.851 -6.179 632 HE3 LYS 83 3HE LYS 83 -8.115 -28.279 -7.194 633 HZ1 LYS 83 3HZ LYS 83 -9.625 -28.657 -5.323 634 HZ2 LYS 83 1HZ LYS 83 -8.374 -28.318 -4.235 635 HZ3 LYS 83 2HZ LYS 83 -8.271 -29.669 -5.247 636 H ALA 84 H ALA 84 -1.993 -25.349 -7.855 637 HA ALA 84 HA ALA 84 0.278 -26.541 -6.647 638 HB1 ALA 84 1HB ALA 84 0.370 -24.357 -8.709 639 HB2 ALA 84 2HB ALA 84 1.525 -25.663 -8.440 640 HB3 ALA 84 3HB ALA 84 -0.068 -26.019 -9.107 641 H PHE 85 H PHE 85 -1.390 -23.719 -5.925 642 HA PHE 85 HA PHE 85 0.981 -22.407 -4.796 643 HB2 PHE 85 2HB PHE 85 -0.578 -21.097 -6.279 644 HB3 PHE 85 3HB PHE 85 -1.812 -21.280 -5.038 645 HD1 PHE 85 HD1 PHE 85 1.596 -19.943 -5.633 646 HD2 PHE 85 HD2 PHE 85 -1.930 -19.790 -3.254 647 HE1 PHE 85 HE1 PHE 85 2.459 -17.944 -4.488 648 HE2 PHE 85 HE2 PHE 85 -1.073 -17.790 -2.106 649 HZ PHE 85 HZ PHE 85 1.124 -16.863 -2.723 650 H LEU 86 H LEU 86 -2.328 -23.368 -3.923 651 HA LEU 86 HA LEU 86 -2.087 -22.742 -1.177 652 HB2 LEU 86 2HB LEU 86 -4.182 -23.218 -2.645 653 HB3 LEU 86 3HB LEU 86 -3.896 -24.897 -2.190 654 HG LEU 86 HG LEU 86 -4.074 -22.861 -0.025 655 HD11 LEU 86 1HD1 LEU 86 -6.658 -23.987 -0.596 656 HD12 LEU 86 2HD1 LEU 86 -6.075 -23.040 -1.964 657 HD13 LEU 86 3HD1 LEU 86 -6.193 -22.301 -0.367 658 HD21 LEU 86 3HD2 LEU 86 -4.445 -24.649 1.291 659 HD22 LEU 86 1HD2 LEU 86 -3.714 -25.539 -0.044 660 HD23 LEU 86 2HD2 LEU 86 -5.470 -25.449 0.098 661 H ALA 87 H ALA 87 -1.971 -25.881 -2.865 662 HA ALA 87 HA ALA 87 -1.268 -27.389 -0.587 663 HB1 ALA 87 1HB ALA 87 -0.583 -29.126 -2.242 664 HB2 ALA 87 2HB ALA 87 -2.214 -28.496 -2.483 665 HB3 ALA 87 3HB ALA 87 -0.897 -27.954 -3.523 666 H ALA 88 H ALA 88 0.530 -25.214 -2.467 667 HA ALA 88 HA ALA 88 3.095 -26.429 -1.752 668 HB1 ALA 88 1HB ALA 88 4.091 -24.766 -3.234 669 HB2 ALA 88 2HB ALA 88 2.822 -25.673 -4.058 670 HB3 ALA 88 3HB ALA 88 2.507 -24.034 -3.488 671 H GLY 89 H GLY 89 1.004 -23.780 -0.928 672 HA2 GLY 89 2HA GLY 89 3.098 -22.498 0.671 673 HA3 GLY 89 3HA GLY 89 1.507 -21.835 0.326 674 H ASP 90 H ASP 90 -0.278 -23.534 1.179 675 HA ASP 90 HA ASP 90 -0.367 -23.271 3.922 676 HB2 ASP 90 2HB ASP 90 -2.419 -23.744 2.926 677 HB3 ASP 90 3HB ASP 90 -1.773 -25.101 2.007 678 H THR 91 H THR 91 1.240 -23.962 5.206 679 HA THR 91 HA THR 91 2.012 -26.802 5.021 680 HB THR 91 HB THR 91 4.180 -26.168 6.036 681 HG1 THR 91 HG1 THR 91 4.551 -24.161 6.649 682 HG21 THR 91 3HG2 THR 91 4.424 -24.393 3.819 683 HG22 THR 91 1HG2 THR 91 3.299 -25.679 3.385 684 HG23 THR 91 2HG2 THR 91 4.924 -26.079 3.940 685 H ASP 92 H ASP 92 1.198 -24.119 7.134 686 HA ASP 92 HA ASP 92 1.220 -25.914 9.455 687 HB2 ASP 92 2HB ASP 92 1.227 -22.919 9.168 688 HB3 ASP 92 3HB ASP 92 0.793 -23.687 10.693 689 H GLY 93 H GLY 93 -0.812 -26.166 7.444 690 HA2 GLY 93 2HA GLY 93 -3.116 -26.110 9.141 691 HA3 GLY 93 3HA GLY 93 -3.201 -24.881 7.888 692 H ASP 94 H ASP 94 -5.166 -26.245 7.403 693 HA ASP 94 HA ASP 94 -4.416 -28.251 5.396 694 HB2 ASP 94 2HB ASP 94 -5.189 -29.348 7.535 695 HB3 ASP 94 3HB ASP 94 -6.762 -28.602 7.266 696 H GLY 95 H GLY 95 -4.762 -26.146 4.177 697 HA2 GLY 95 2HA GLY 95 -6.257 -25.712 2.306 698 HA3 GLY 95 3HA GLY 95 -7.605 -25.994 3.397 699 H LYS 96 H LYS 96 -4.778 -24.105 4.247 700 HA LYS 96 HA LYS 96 -6.003 -21.577 3.660 701 HB2 LYS 96 2HB LYS 96 -5.829 -20.950 6.200 702 HB3 LYS 96 3HB LYS 96 -7.275 -21.733 5.577 703 HG2 LYS 96 2HG LYS 96 -6.635 -23.829 6.470 704 HG3 LYS 96 3HG LYS 96 -5.008 -23.251 6.837 705 HD2 LYS 96 2HD LYS 96 -5.932 -21.700 8.489 706 HD3 LYS 96 3HD LYS 96 -7.561 -22.270 8.116 707 HE2 LYS 96 2HE LYS 96 -7.061 -23.516 9.985 708 HE3 LYS 96 3HE LYS 96 -6.564 -24.611 8.696 709 HZ1 LYS 96 3HZ LYS 96 -4.951 -23.209 10.658 710 HZ2 LYS 96 1HZ LYS 96 -4.310 -23.257 9.093 711 HZ3 LYS 96 2HZ LYS 96 -4.684 -24.696 9.899 712 H ILE 97 H ILE 97 -4.565 -19.860 3.811 713 HA ILE 97 HA ILE 97 -1.846 -20.510 4.731 714 HB ILE 97 HB ILE 97 -2.583 -19.102 2.165 715 HG12 ILE 97 2HG1 ILE 97 -1.056 -21.656 2.712 716 HG13 ILE 97 3HG1 ILE 97 -2.678 -21.545 2.039 717 HG21 ILE 97 1HG2 ILE 97 -0.144 -18.892 1.815 718 HG22 ILE 97 2HG2 ILE 97 -0.730 -17.942 3.179 719 HG23 ILE 97 3HG2 ILE 97 0.113 -19.465 3.463 720 HD11 ILE 97 3HD1 ILE 97 -0.146 -20.553 0.753 721 HD12 ILE 97 1HD1 ILE 97 -1.058 -21.993 0.304 722 HD13 ILE 97 2HD1 ILE 97 -1.768 -20.394 0.079 723 H GLY 98 H GLY 98 -0.683 -18.840 5.658 724 HA2 GLY 98 2HA GLY 98 -2.155 -16.303 6.018 725 HA3 GLY 98 3HA GLY 98 -1.326 -17.098 7.348 726 H VAL 99 H VAL 99 0.629 -16.358 7.816 727 HA VAL 99 HA VAL 99 2.086 -14.867 5.733 728 HB VAL 99 HB VAL 99 3.270 -14.229 8.164 729 HG11 VAL 99 1HG1 VAL 99 2.747 -12.076 7.587 730 HG12 VAL 99 2HG1 VAL 99 2.492 -12.882 6.038 731 HG13 VAL 99 3HG1 VAL 99 1.114 -12.494 7.069 732 HG21 VAL 99 3HG2 VAL 99 1.379 -13.460 9.555 733 HG22 VAL 99 1HG2 VAL 99 0.270 -14.292 8.465 734 HG23 VAL 99 2HG2 VAL 99 1.442 -15.216 9.404 735 H GLU 100 H GLU 100 2.703 -16.812 8.662 736 HA GLU 100 HA GLU 100 5.391 -17.332 8.199 737 HB2 GLU 100 2HB GLU 100 3.315 -18.339 9.938 738 HB3 GLU 100 3HB GLU 100 4.360 -19.647 9.403 739 HG2 GLU 100 2HG GLU 100 6.263 -17.969 10.069 740 HG3 GLU 100 3HG GLU 100 4.994 -17.274 11.076 741 H GLU 101 H GLU 101 2.537 -18.844 6.857 742 HA GLU 101 HA GLU 101 4.024 -21.009 5.649 743 HB2 GLU 101 2HB GLU 101 1.181 -20.208 5.046 744 HB3 GLU 101 3HB GLU 101 1.932 -21.779 4.807 745 HG2 GLU 101 2HG GLU 101 2.049 -22.151 7.170 746 HG3 GLU 101 3HG GLU 101 1.493 -20.511 7.499 747 H PHE 102 H PHE 102 2.755 -17.887 4.726 748 HA PHE 102 HA PHE 102 2.902 -18.154 1.937 749 HB2 PHE 102 2HB PHE 102 1.762 -16.292 3.150 750 HB3 PHE 102 3HB PHE 102 3.346 -15.633 3.546 751 HD1 PHE 102 HD1 PHE 102 1.147 -16.531 0.700 752 HD2 PHE 102 HD2 PHE 102 4.456 -14.223 2.058 753 HE1 PHE 102 HE1 PHE 102 1.164 -15.305 -1.433 754 HE2 PHE 102 HE2 PHE 102 4.477 -12.993 -0.072 755 HZ PHE 102 HZ PHE 102 2.829 -13.532 -1.821 756 H GLN 103 H GLN 103 5.205 -16.440 4.059 757 HA GLN 103 HA GLN 103 7.209 -16.088 2.171 758 HB2 GLN 103 2HB GLN 103 8.741 -15.827 4.100 759 HB3 GLN 103 3HB GLN 103 7.251 -14.912 4.283 760 HG2 GLN 103 2HG GLN 103 6.385 -16.468 5.849 761 HG3 GLN 103 3HG GLN 103 7.681 -17.617 5.516 762 HE21 GLN 103 1HE2 GLN 103 7.642 -14.137 6.199 763 HE22 GLN 103 2HE2 GLN 103 8.729 -14.213 7.538 764 H SER 104 H SER 104 6.369 -18.895 4.050 765 HA SER 104 HA SER 104 8.788 -20.326 3.745 766 HB2 SER 104 2HB SER 104 6.956 -20.857 5.392 767 HB3 SER 104 3HB SER 104 6.022 -21.512 4.046 768 HG SER 104 HG SER 104 8.378 -22.481 5.223 769 H LEU 105 H LEU 105 6.352 -19.512 1.534 770 HA LEU 105 HA LEU 105 7.108 -21.697 -0.282 771 HB2 LEU 105 2HB LEU 105 4.778 -21.653 -0.062 772 HB3 LEU 105 3HB LEU 105 4.718 -19.893 -0.127 773 HG LEU 105 HG LEU 105 5.680 -21.312 -2.549 774 HD11 LEU 105 1HD1 LEU 105 3.868 -22.729 -2.196 775 HD12 LEU 105 2HD1 LEU 105 3.209 -21.465 -3.233 776 HD13 LEU 105 3HD1 LEU 105 2.876 -21.447 -1.502 777 HD21 LEU 105 3HD2 LEU 105 5.109 -18.720 -1.919 778 HD22 LEU 105 1HD2 LEU 105 3.621 -19.239 -2.711 779 HD23 LEU 105 2HD2 LEU 105 5.164 -19.378 -3.555 780 H VAL 106 H VAL 106 6.758 -18.181 -0.087 781 HA VAL 106 HA VAL 106 7.498 -17.508 -2.681 782 HB VAL 106 HB VAL 106 8.223 -15.940 -0.204 783 HG11 VAL 106 1HG1 VAL 106 9.162 -14.606 -1.734 784 HG12 VAL 106 2HG1 VAL 106 8.367 -15.433 -3.075 785 HG13 VAL 106 3HG1 VAL 106 7.511 -14.176 -2.180 786 HG21 VAL 106 3HG2 VAL 106 6.054 -15.674 0.195 787 HG22 VAL 106 1HG2 VAL 106 5.869 -14.941 -1.398 788 HG23 VAL 106 2HG2 VAL 106 5.648 -16.679 -1.196 789 H LYS 107 H LYS 107 9.577 -17.795 0.199 790 HA LYS 107 HA LYS 107 12.006 -17.267 -1.098 791 HB2 LYS 107 2HB LYS 107 11.544 -19.002 1.335 792 HB3 LYS 107 3HB LYS 107 13.073 -18.278 0.855 793 HG2 LYS 107 2HG LYS 107 10.761 -16.467 1.264 794 HG3 LYS 107 3HG LYS 107 11.509 -17.191 2.690 795 HD2 LYS 107 2HD LYS 107 13.074 -15.746 0.560 796 HD3 LYS 107 3HD LYS 107 12.423 -14.943 1.991 797 HE2 LYS 107 2HE LYS 107 13.668 -16.679 3.355 798 HE3 LYS 107 3HE LYS 107 14.485 -17.131 1.860 799 HZ1 LYS 107 3HZ LYS 107 15.077 -15.009 3.599 800 HZ2 LYS 107 1HZ LYS 107 14.635 -14.358 2.101 801 HZ3 LYS 107 2HZ LYS 107 15.897 -15.480 2.196 802 H ALA 108 H ALA 108 9.976 -20.009 -1.200 803 HA ALA 108 HA ALA 108 12.066 -21.873 -1.938 804 HB1 ALA 108 1HB ALA 108 9.824 -22.353 -0.686 805 HB2 ALA 108 2HB ALA 108 9.165 -22.454 -2.319 806 HB3 ALA 108 3HB ALA 108 10.474 -23.529 -1.829 Start of MODEL 11 1 H1 ALA 1 H ALA 1 -0.010 0.824 -0.363 2 HA ALA 1 HA ALA 1 0.201 -0.442 -2.676 3 HB1 ALA 1 1HB ALA 1 2.004 1.528 -1.389 4 HB2 ALA 1 2HB ALA 1 2.561 0.763 -2.877 5 HB3 ALA 1 3HB ALA 1 1.044 1.661 -2.862 6 H ILE 2 H ILE 2 2.105 -1.411 -3.845 7 HA ILE 2 HA ILE 2 3.441 -3.380 -2.105 8 HB ILE 2 HB ILE 2 1.761 -4.362 -3.647 9 HG12 ILE 2 2HG1 ILE 2 3.357 -6.048 -4.679 10 HG13 ILE 2 3HG1 ILE 2 4.672 -5.056 -4.057 11 HG21 ILE 2 1HG2 ILE 2 1.743 -4.046 -5.882 12 HG22 ILE 2 2HG2 ILE 2 2.586 -2.557 -5.456 13 HG23 ILE 2 3HG2 ILE 2 3.501 -3.965 -5.994 14 HD11 ILE 2 3HD1 ILE 2 2.553 -6.457 -2.447 15 HD12 ILE 2 1HD1 ILE 2 4.261 -6.881 -2.558 16 HD13 ILE 2 2HD1 ILE 2 3.775 -5.375 -1.780 17 H THR 3 H THR 3 3.786 -1.138 -4.764 18 HA THR 3 HA THR 3 6.312 -1.807 -5.703 19 HB THR 3 HB THR 3 6.524 0.536 -6.432 20 HG1 THR 3 HG1 THR 3 4.023 1.100 -5.253 21 HG21 THR 3 3HG2 THR 3 3.777 0.366 -7.150 22 HG22 THR 3 1HG2 THR 3 4.432 -1.269 -7.093 23 HG23 THR 3 2HG2 THR 3 5.192 -0.050 -8.116 24 H ASP 4 H ASP 4 5.376 -0.266 -2.741 25 HA ASP 4 HA ASP 4 7.741 1.054 -2.062 26 HB2 ASP 4 2HB ASP 4 5.524 -0.172 -0.451 27 HB3 ASP 4 3HB ASP 4 6.940 0.497 0.354 28 H ILE 5 H ILE 5 7.032 -2.301 -2.239 29 HA ILE 5 HA ILE 5 9.560 -2.927 -0.858 30 HB ILE 5 HB ILE 5 7.547 -5.063 -1.342 31 HG12 ILE 5 2HG1 ILE 5 7.304 -2.956 0.815 32 HG13 ILE 5 3HG1 ILE 5 6.143 -3.292 -0.464 33 HG21 ILE 5 1HG2 ILE 5 9.794 -5.474 -0.354 34 HG22 ILE 5 2HG2 ILE 5 9.321 -4.479 1.022 35 HG23 ILE 5 3HG2 ILE 5 8.457 -5.977 0.679 36 HD11 ILE 5 3HD1 ILE 5 6.829 -5.001 1.905 37 HD12 ILE 5 1HD1 ILE 5 5.284 -4.248 1.511 38 HD13 ILE 5 2HD1 ILE 5 5.888 -5.586 0.533 39 H LEU 6 H LEU 6 7.431 -4.072 -3.478 40 HA LEU 6 HA LEU 6 9.672 -5.413 -4.755 41 HB2 LEU 6 2HB LEU 6 6.755 -5.511 -4.925 42 HB3 LEU 6 3HB LEU 6 7.561 -5.618 -6.489 43 HG LEU 6 HG LEU 6 8.697 -7.610 -5.859 44 HD11 LEU 6 1HD1 LEU 6 8.204 -6.641 -3.178 45 HD12 LEU 6 2HD1 LEU 6 9.401 -7.797 -3.759 46 HD13 LEU 6 3HD1 LEU 6 7.775 -8.343 -3.352 47 HD21 LEU 6 3HD2 LEU 6 5.955 -7.985 -4.701 48 HD22 LEU 6 1HD2 LEU 6 6.911 -9.105 -5.672 49 HD23 LEU 6 2HD2 LEU 6 6.199 -7.675 -6.420 50 H SER 7 H SER 7 9.452 -5.171 -7.341 51 HA SER 7 HA SER 7 9.616 -2.278 -7.883 52 HB2 SER 7 2HB SER 7 11.493 -4.451 -8.403 53 HB3 SER 7 3HB SER 7 11.125 -3.518 -9.854 54 HG SER 7 HG SER 7 11.526 -1.636 -8.347 55 H ALA 8 H ALA 8 8.416 -1.480 -9.496 56 HA ALA 8 HA ALA 8 6.329 -2.903 -10.652 57 HB1 ALA 8 1HB ALA 8 5.704 -0.880 -11.323 58 HB2 ALA 8 2HB ALA 8 7.209 -0.255 -10.646 59 HB3 ALA 8 3HB ALA 8 7.131 -0.717 -12.347 60 H LYS 9 H LYS 9 9.568 -2.238 -11.888 61 HA LYS 9 HA LYS 9 9.054 -3.451 -14.443 62 HB2 LYS 9 2HB LYS 9 10.863 -1.645 -13.654 63 HB3 LYS 9 3HB LYS 9 11.838 -3.096 -13.462 64 HG2 LYS 9 2HG LYS 9 11.795 -3.582 -15.726 65 HG3 LYS 9 3HG LYS 9 10.360 -2.596 -16.012 66 HD2 LYS 9 2HD LYS 9 11.968 -0.661 -15.195 67 HD3 LYS 9 3HD LYS 9 13.211 -1.783 -15.752 68 HE2 LYS 9 2HE LYS 9 12.775 -0.485 -17.632 69 HE3 LYS 9 3HE LYS 9 11.807 -1.933 -17.904 70 HZ1 LYS 9 3HZ LYS 9 10.806 0.465 -18.188 71 HZ2 LYS 9 1HZ LYS 9 10.544 0.314 -16.524 72 HZ3 LYS 9 2HZ LYS 9 9.872 -0.812 -17.591 73 H ASP 10 H ASP 10 9.424 -4.715 -11.428 74 HA ASP 10 HA ASP 10 10.791 -7.135 -12.388 75 HB2 ASP 10 2HB ASP 10 10.253 -6.188 -9.565 76 HB3 ASP 10 3HB ASP 10 11.055 -7.699 -9.985 77 H ILE 11 H ILE 11 7.830 -5.924 -10.964 78 HA ILE 11 HA ILE 11 6.656 -8.452 -10.419 79 HB ILE 11 HB ILE 11 5.350 -5.767 -10.875 80 HG12 ILE 11 2HG1 ILE 11 5.565 -7.084 -8.208 81 HG13 ILE 11 3HG1 ILE 11 7.011 -6.334 -8.874 82 HG21 ILE 11 1HG2 ILE 11 4.210 -8.334 -9.782 83 HG22 ILE 11 2HG2 ILE 11 3.406 -6.766 -9.716 84 HG23 ILE 11 3HG2 ILE 11 3.745 -7.518 -11.274 85 HD11 ILE 11 3HD1 ILE 11 5.730 -4.858 -7.371 86 HD12 ILE 11 1HD1 ILE 11 5.910 -4.207 -9.000 87 HD13 ILE 11 2HD1 ILE 11 4.379 -4.928 -8.502 88 H GLU 12 H GLU 12 6.518 -6.242 -13.178 89 HA GLU 12 HA GLU 12 4.612 -7.804 -14.627 90 HB2 GLU 12 2HB GLU 12 4.867 -6.248 -16.370 91 HB3 GLU 12 3HB GLU 12 5.099 -5.310 -14.901 92 HG2 GLU 12 2HG GLU 12 7.615 -5.798 -15.289 93 HG3 GLU 12 3HG GLU 12 7.108 -6.157 -16.939 94 H SER 13 H SER 13 7.997 -7.972 -14.146 95 HA SER 13 HA SER 13 8.490 -9.509 -16.564 96 HB2 SER 13 2HB SER 13 10.660 -8.977 -16.260 97 HB3 SER 13 3HB SER 13 10.079 -7.858 -15.027 98 HG SER 13 HG SER 13 11.632 -9.165 -14.105 99 H ALA 14 H ALA 14 6.888 -10.288 -13.965 100 HA ALA 14 HA ALA 14 8.069 -12.982 -13.762 101 HB1 ALA 14 1HB ALA 14 7.963 -12.969 -11.522 102 HB2 ALA 14 2HB ALA 14 7.913 -11.215 -11.701 103 HB3 ALA 14 3HB ALA 14 6.415 -12.124 -11.499 104 H LEU 15 H LEU 15 5.153 -11.035 -13.915 105 HA LEU 15 HA LEU 15 3.312 -13.189 -13.698 106 HB2 LEU 15 2HB LEU 15 3.123 -10.364 -14.678 107 HB3 LEU 15 3HB LEU 15 1.763 -11.473 -14.844 108 HG LEU 15 HG LEU 15 3.054 -10.769 -12.212 109 HD11 LEU 15 1HD1 LEU 15 1.944 -8.853 -12.226 110 HD12 LEU 15 2HD1 LEU 15 0.431 -9.731 -12.442 111 HD13 LEU 15 3HD1 LEU 15 1.347 -9.194 -13.850 112 HD21 LEU 15 3HD2 LEU 15 1.513 -12.916 -12.816 113 HD22 LEU 15 1HD2 LEU 15 0.286 -11.737 -12.353 114 HD23 LEU 15 2HD2 LEU 15 1.580 -12.150 -11.228 115 H SER 16 H SER 16 4.303 -11.246 -16.523 116 HA SER 16 HA SER 16 3.280 -13.332 -18.291 117 HB2 SER 16 2HB SER 16 4.415 -11.278 -19.837 118 HB3 SER 16 3HB SER 16 2.702 -11.548 -19.520 119 HG SER 16 HG SER 16 2.701 -9.966 -18.107 120 H SER 17 H SER 17 5.748 -13.617 -16.645 121 HA SER 17 HA SER 17 7.850 -13.709 -18.666 122 HB2 SER 17 2HB SER 17 9.147 -13.235 -16.903 123 HB3 SER 17 3HB SER 17 7.779 -13.428 -15.809 124 HG SER 17 HG SER 17 8.408 -15.405 -15.345 125 H CYS 18 H CYS 18 6.159 -15.907 -16.447 126 HA CYS 18 HA CYS 18 7.333 -18.214 -17.782 127 HB2 CYS 18 2HB CYS 18 6.207 -19.528 -16.026 128 HB3 CYS 18 3HB CYS 18 7.218 -18.259 -15.347 129 HG CYS 18 HG CYS 18 3.815 -18.406 -15.448 130 H GLN 19 H GLN 19 5.724 -16.759 -19.478 131 HA GLN 19 HA GLN 19 3.338 -18.469 -19.729 132 HB2 GLN 19 2HB GLN 19 2.375 -16.550 -21.065 133 HB3 GLN 19 3HB GLN 19 2.570 -16.257 -19.342 134 HG2 GLN 19 2HG GLN 19 3.282 -14.298 -20.428 135 HG3 GLN 19 3HG GLN 19 4.746 -15.123 -19.896 136 HE21 GLN 19 1HE2 GLN 19 6.304 -15.282 -21.333 137 HE22 GLN 19 2HE2 GLN 19 6.121 -15.206 -23.049 138 H ALA 20 H ALA 20 6.269 -18.423 -20.826 139 HA ALA 20 HA ALA 20 5.541 -18.780 -23.660 140 HB1 ALA 20 1HB ALA 20 7.533 -17.191 -22.568 141 HB2 ALA 20 2HB ALA 20 8.389 -18.614 -23.163 142 HB3 ALA 20 3HB ALA 20 7.377 -17.672 -24.258 143 H ALA 21 H ALA 21 7.691 -20.199 -24.549 144 HA ALA 21 HA ALA 21 7.060 -22.837 -23.661 145 HB1 ALA 21 1HB ALA 21 7.691 -23.206 -25.759 146 HB2 ALA 21 2HB ALA 21 8.471 -21.627 -25.867 147 HB3 ALA 21 3HB ALA 21 9.359 -23.008 -25.223 148 H ASP 22 H ASP 22 10.152 -21.051 -23.704 149 HA ASP 22 HA ASP 22 10.905 -22.481 -21.245 150 HB2 ASP 22 2HB ASP 22 13.233 -22.602 -22.089 151 HB3 ASP 22 3HB ASP 22 12.107 -23.526 -23.080 152 H SER 23 H SER 23 9.748 -19.974 -21.238 153 HA SER 23 HA SER 23 11.830 -17.970 -21.111 154 HB2 SER 23 2HB SER 23 9.567 -17.393 -21.927 155 HB3 SER 23 3HB SER 23 8.908 -17.780 -20.337 156 HG SER 23 HG SER 23 9.324 -15.526 -20.636 157 H PHE 24 H PHE 24 10.030 -20.004 -18.924 158 HA PHE 24 HA PHE 24 11.105 -18.618 -16.591 159 HB2 PHE 24 2HB PHE 24 8.760 -19.249 -16.487 160 HB3 PHE 24 3HB PHE 24 9.168 -20.929 -16.824 161 HD1 PHE 24 HD2 PHE 24 10.558 -18.407 -14.452 162 HD2 PHE 24 HD1 PHE 24 8.733 -22.216 -14.977 163 HE1 PHE 24 HE2 PHE 24 10.767 -18.836 -12.038 164 HE2 PHE 24 HE1 PHE 24 8.938 -22.651 -12.564 165 HZ PHE 24 HZ PHE 24 9.957 -20.960 -11.091 166 H ASN 25 H ASN 25 13.320 -19.229 -17.137 167 HA ASN 25 HA ASN 25 13.935 -22.040 -16.522 168 HB2 ASN 25 2HB ASN 25 15.939 -21.824 -17.760 169 HB3 ASN 25 3HB ASN 25 14.713 -21.008 -18.727 170 HD21 ASN 25 1HD2 ASN 25 14.559 -18.644 -18.431 171 HD22 ASN 25 2HD2 ASN 25 16.024 -17.762 -18.185 172 H TYR 26 H TYR 26 16.452 -21.997 -15.692 173 HA TYR 26 HA TYR 26 16.360 -21.358 -13.018 174 HB2 TYR 26 2HB TYR 26 18.920 -21.395 -13.169 175 HB3 TYR 26 3HB TYR 26 18.061 -22.839 -13.693 176 HD1 TYR 26 HD2 TYR 26 19.858 -19.833 -14.875 177 HD2 TYR 26 HD1 TYR 26 18.210 -23.610 -15.936 178 HE1 TYR 26 HE2 TYR 26 20.999 -19.714 -17.051 179 HE2 TYR 26 HE1 TYR 26 19.348 -23.501 -18.114 180 HH TYR 26 HH TYR 26 20.524 -20.806 -19.441 181 H LYS 27 H LYS 27 17.290 -19.337 -15.722 182 HA LYS 27 HA LYS 27 18.408 -17.229 -14.163 183 HB2 LYS 27 2HB LYS 27 17.538 -17.533 -17.011 184 HB3 LYS 27 3HB LYS 27 17.879 -15.926 -16.381 185 HG2 LYS 27 2HG LYS 27 20.108 -16.299 -16.244 186 HG3 LYS 27 3HG LYS 27 19.912 -18.017 -15.888 187 HD2 LYS 27 2HD LYS 27 20.855 -17.933 -18.044 188 HD3 LYS 27 3HD LYS 27 19.141 -18.268 -18.301 189 HE2 LYS 27 2HE LYS 27 18.922 -15.696 -18.506 190 HE3 LYS 27 3HE LYS 27 20.666 -15.731 -18.762 191 HZ1 LYS 27 3HZ LYS 27 20.274 -16.231 -20.868 192 HZ2 LYS 27 1HZ LYS 27 18.606 -16.309 -20.595 193 HZ3 LYS 27 2HZ LYS 27 19.562 -17.690 -20.393 194 H SER 28 H SER 28 15.252 -17.722 -15.716 195 HA SER 28 HA SER 28 14.061 -15.302 -15.115 196 HB2 SER 28 2HB SER 28 13.197 -17.487 -16.379 197 HB3 SER 28 3HB SER 28 12.395 -17.757 -14.832 198 HG SER 28 HG SER 28 11.639 -16.153 -16.783 199 H PHE 29 H PHE 29 14.762 -17.993 -13.028 200 HA PHE 29 HA PHE 29 13.124 -16.945 -10.867 201 HB2 PHE 29 2HB PHE 29 13.425 -19.430 -11.376 202 HB3 PHE 29 3HB PHE 29 15.044 -19.265 -10.706 203 HD1 PHE 29 HD1 PHE 29 15.284 -18.488 -8.317 204 HD2 PHE 29 HD2 PHE 29 11.569 -19.720 -9.988 205 HE1 PHE 29 HE1 PHE 29 14.384 -18.829 -6.053 206 HE2 PHE 29 HE2 PHE 29 10.661 -20.062 -7.726 207 HZ PHE 29 HZ PHE 29 12.069 -19.616 -5.755 208 H PHE 30 H PHE 30 16.395 -16.865 -11.958 209 HA PHE 30 HA PHE 30 17.573 -16.178 -9.440 210 HB2 PHE 30 2HB PHE 30 18.493 -16.308 -12.272 211 HB3 PHE 30 3HB PHE 30 19.430 -15.328 -11.149 212 HD1 PHE 30 HD2 PHE 30 19.266 -16.872 -8.678 213 HD2 PHE 30 HD1 PHE 30 19.771 -18.184 -12.696 214 HE1 PHE 30 HE2 PHE 30 20.412 -18.894 -7.871 215 HE2 PHE 30 HE1 PHE 30 20.917 -20.208 -11.895 216 HZ PHE 30 HZ PHE 30 21.240 -20.565 -9.480 217 H SER 31 H SER 31 16.010 -14.448 -12.000 218 HA SER 31 HA SER 31 16.540 -11.928 -10.573 219 HB2 SER 31 2HB SER 31 17.823 -12.130 -12.744 220 HB3 SER 31 3HB SER 31 16.269 -12.145 -13.577 221 HG SER 31 HG SER 31 17.625 -10.057 -12.404 222 H THR 32 H THR 32 14.307 -13.777 -10.362 223 HA THR 32 HA THR 32 12.057 -12.964 -11.812 224 HB THR 32 HB THR 32 11.360 -13.667 -9.090 225 HG1 THR 32 HG1 THR 32 12.570 -15.431 -8.807 226 HG21 THR 32 3HG2 THR 32 9.806 -14.859 -10.175 227 HG22 THR 32 1HG2 THR 32 11.012 -15.700 -11.146 228 HG23 THR 32 2HG2 THR 32 10.425 -14.115 -11.648 229 H VAL 33 H VAL 33 10.090 -12.193 -10.124 230 HA VAL 33 HA VAL 33 10.188 -9.459 -10.074 231 HB VAL 33 HB VAL 33 8.098 -10.613 -9.749 232 HG11 VAL 33 1HG1 VAL 33 8.327 -11.288 -6.952 233 HG12 VAL 33 2HG1 VAL 33 7.808 -12.286 -8.311 234 HG13 VAL 33 3HG1 VAL 33 9.522 -12.154 -7.917 235 HG21 VAL 33 3HG2 VAL 33 8.680 -8.302 -8.615 236 HG22 VAL 33 1HG2 VAL 33 7.120 -9.082 -8.359 237 HG23 VAL 33 2HG2 VAL 33 8.384 -9.216 -7.137 238 H GLY 34 H GLY 34 11.393 -11.697 -7.655 239 HA2 GLY 34 2HA GLY 34 13.355 -10.835 -6.400 240 HA3 GLY 34 3HA GLY 34 12.410 -9.379 -6.127 241 H LEU 35 H LEU 35 9.934 -10.887 -5.659 242 HA LEU 35 HA LEU 35 9.974 -11.055 -2.902 243 HB2 LEU 35 2HB LEU 35 8.091 -11.382 -4.905 244 HB3 LEU 35 3HB LEU 35 8.106 -12.940 -4.080 245 HG LEU 35 HG LEU 35 7.405 -10.241 -2.956 246 HD11 LEU 35 1HD1 LEU 35 5.976 -12.826 -3.427 247 HD12 LEU 35 2HD1 LEU 35 5.503 -11.189 -3.878 248 HD13 LEU 35 3HD1 LEU 35 5.415 -11.699 -2.193 249 HD21 LEU 35 3HD2 LEU 35 7.116 -11.527 -0.787 250 HD22 LEU 35 1HD2 LEU 35 8.770 -11.147 -1.265 251 HD23 LEU 35 2HD2 LEU 35 8.134 -12.773 -1.510 252 H SER 36 H SER 36 10.203 -13.732 -5.238 253 HA SER 36 HA SER 36 10.485 -15.789 -3.354 254 HB2 SER 36 2HB SER 36 11.974 -16.258 -5.821 255 HB3 SER 36 3HB SER 36 10.570 -17.109 -5.176 256 HG SER 36 HG SER 36 10.697 -15.207 -7.105 257 H SER 37 H SER 37 12.656 -13.346 -4.332 258 HA SER 37 HA SER 37 14.873 -14.753 -2.992 259 HB2 SER 37 2HB SER 37 14.931 -14.063 -5.590 260 HB3 SER 37 3HB SER 37 15.508 -12.553 -4.884 261 HG SER 37 HG SER 37 17.354 -13.567 -4.871 262 H LYS 38 H LYS 38 12.819 -13.043 -1.816 263 HA LYS 38 HA LYS 38 14.275 -10.607 -1.128 264 HB2 LYS 38 2HB LYS 38 11.466 -11.489 -1.025 265 HB3 LYS 38 3HB LYS 38 11.980 -10.508 0.341 266 HG2 LYS 38 2HG LYS 38 12.377 -9.689 -2.524 267 HG3 LYS 38 3HG LYS 38 10.959 -9.250 -1.569 268 HD2 LYS 38 2HD LYS 38 12.258 -7.981 -0.052 269 HD3 LYS 38 3HD LYS 38 13.769 -8.653 -0.669 270 HE2 LYS 38 2HE LYS 38 12.958 -7.581 -2.922 271 HE3 LYS 38 3HE LYS 38 11.985 -6.573 -1.851 272 HZ1 LYS 38 3HZ LYS 38 13.822 -5.576 -0.968 273 HZ2 LYS 38 1HZ LYS 38 14.391 -5.870 -2.534 274 HZ3 LYS 38 2HZ LYS 38 14.840 -6.893 -1.265 275 H THR 39 H THR 39 13.889 -9.990 1.324 276 HA THR 39 HA THR 39 15.238 -12.061 2.845 277 HB THR 39 HB THR 39 15.325 -9.255 2.861 278 HG1 THR 39 HG1 THR 39 17.178 -9.845 3.678 279 HG21 THR 39 3HG2 THR 39 14.835 -8.642 5.145 280 HG22 THR 39 1HG2 THR 39 14.352 -10.294 5.524 281 HG23 THR 39 2HG2 THR 39 13.385 -9.326 4.412 282 HA PRO 40 HA PRO 40 11.790 -13.480 5.163 283 HB2 PRO 40 2HB PRO 40 12.939 -13.983 7.571 284 HB3 PRO 40 3HB PRO 40 13.219 -14.988 6.144 285 HG2 PRO 40 2HG PRO 40 14.928 -12.818 7.297 286 HG3 PRO 40 3HG PRO 40 15.409 -14.402 6.664 287 HD2 PRO 40 2HD PRO 40 15.656 -12.122 5.225 288 HD3 PRO 40 3HD PRO 40 15.318 -13.694 4.472 289 H ASP 41 H ASP 41 10.989 -11.142 5.008 290 HA ASP 41 HA ASP 41 9.903 -10.357 7.446 291 HB2 ASP 41 2HB ASP 41 12.559 -9.541 7.281 292 HB3 ASP 41 3HB ASP 41 11.641 -8.102 6.848 293 H GLN 42 H GLN 42 10.911 -9.482 4.220 294 HA GLN 42 HA GLN 42 8.875 -7.418 3.999 295 HB2 GLN 42 2HB GLN 42 10.777 -8.472 1.900 296 HB3 GLN 42 3HB GLN 42 9.780 -7.029 1.771 297 HG2 GLN 42 2HG GLN 42 11.020 -5.999 3.598 298 HG3 GLN 42 3HG GLN 42 12.012 -7.448 3.746 299 HE21 GLN 42 1HE2 GLN 42 13.754 -7.666 2.483 300 HE22 GLN 42 2HE2 GLN 42 14.210 -6.567 1.230 301 H ILE 43 H ILE 43 9.242 -10.759 3.380 302 HA ILE 43 HA ILE 43 7.402 -11.037 1.239 303 HB ILE 43 HB ILE 43 8.234 -13.057 3.326 304 HG12 ILE 43 2HG1 ILE 43 9.219 -12.645 0.494 305 HG13 ILE 43 3HG1 ILE 43 10.084 -12.142 1.943 306 HG21 ILE 43 1HG2 ILE 43 7.524 -14.363 0.969 307 HG22 ILE 43 2HG2 ILE 43 6.629 -14.346 2.488 308 HG23 ILE 43 3HG2 ILE 43 6.255 -13.166 1.232 309 HD11 ILE 43 3HD1 ILE 43 10.630 -14.401 0.724 310 HD12 ILE 43 1HD1 ILE 43 10.691 -14.268 2.482 311 HD13 ILE 43 2HD1 ILE 43 9.283 -14.989 1.700 312 H LYS 44 H LYS 44 7.069 -10.958 4.730 313 HA LYS 44 HA LYS 44 4.383 -11.876 4.828 314 HB2 LYS 44 2HB LYS 44 4.411 -10.816 7.123 315 HB3 LYS 44 3HB LYS 44 5.655 -12.024 6.829 316 HG2 LYS 44 2HG LYS 44 7.349 -10.435 6.716 317 HG3 LYS 44 3HG LYS 44 6.217 -9.111 6.430 318 HD2 LYS 44 2HD LYS 44 7.010 -8.929 8.679 319 HD3 LYS 44 3HD LYS 44 5.331 -9.474 8.739 320 HE2 LYS 44 2HE LYS 44 5.920 -11.626 9.371 321 HE3 LYS 44 3HE LYS 44 7.562 -11.467 8.748 322 HZ1 LYS 44 3HZ LYS 44 6.648 -11.026 11.357 323 HZ2 LYS 44 1HZ LYS 44 7.200 -9.547 10.747 324 HZ3 LYS 44 2HZ LYS 44 8.226 -10.891 10.763 325 H LYS 45 H LYS 45 5.873 -8.723 4.450 326 HA LYS 45 HA LYS 45 3.501 -7.203 4.844 327 HB2 LYS 45 2HB LYS 45 6.244 -6.671 3.823 328 HB3 LYS 45 3HB LYS 45 4.984 -5.525 3.385 329 HG2 LYS 45 2HG LYS 45 5.180 -6.302 6.235 330 HG3 LYS 45 3HG LYS 45 6.452 -5.270 5.580 331 HD2 LYS 45 2HD LYS 45 4.962 -3.670 6.249 332 HD3 LYS 45 3HD LYS 45 4.384 -3.944 4.604 333 HE2 LYS 45 2HE LYS 45 2.578 -5.248 5.339 334 HE3 LYS 45 3HE LYS 45 3.286 -5.483 6.937 335 HZ1 LYS 45 3HZ LYS 45 2.343 -2.866 5.901 336 HZ2 LYS 45 1HZ LYS 45 2.868 -3.206 7.473 337 HZ3 LYS 45 2HZ LYS 45 1.427 -3.879 6.898 338 H VAL 46 H VAL 46 4.689 -9.081 2.248 339 HA VAL 46 HA VAL 46 3.108 -7.692 0.236 340 HB VAL 46 HB VAL 46 4.813 -10.175 -0.002 341 HG11 VAL 46 1HG1 VAL 46 3.317 -8.552 -2.045 342 HG12 VAL 46 2HG1 VAL 46 4.646 -9.633 -2.469 343 HG13 VAL 46 3HG1 VAL 46 3.188 -10.280 -1.715 344 HG21 VAL 46 3HG2 VAL 46 5.952 -7.963 0.530 345 HG22 VAL 46 1HG2 VAL 46 6.509 -8.818 -0.908 346 HG23 VAL 46 2HG2 VAL 46 5.430 -7.433 -1.069 347 H PHE 47 H PHE 47 2.843 -10.355 2.385 348 HA PHE 47 HA PHE 47 0.796 -11.723 0.874 349 HB2 PHE 47 2HB PHE 47 1.801 -13.334 2.117 350 HB3 PHE 47 3HB PHE 47 2.301 -12.199 3.366 351 HD1 PHE 47 HD2 PHE 47 -0.640 -14.058 2.077 352 HD2 PHE 47 HD1 PHE 47 1.166 -12.096 5.394 353 HE1 PHE 47 HE2 PHE 47 -2.435 -14.888 3.540 354 HE2 PHE 47 HE1 PHE 47 -0.626 -12.924 6.864 355 HZ PHE 47 HZ PHE 47 -2.430 -14.321 5.937 356 H GLY 48 H GLY 48 0.982 -9.294 3.342 357 HA2 GLY 48 2HA GLY 48 -1.660 -9.564 4.358 358 HA3 GLY 48 3HA GLY 48 -0.628 -8.151 4.521 359 H ILE 49 H ILE 49 -0.567 -8.521 1.359 360 HA ILE 49 HA ILE 49 -2.738 -6.619 0.949 361 HB ILE 49 HB ILE 49 -0.772 -7.539 -1.137 362 HG12 ILE 49 2HG1 ILE 49 -0.447 -5.292 0.864 363 HG13 ILE 49 3HG1 ILE 49 0.504 -6.772 0.807 364 HG21 ILE 49 1HG2 ILE 49 -1.873 -4.790 -0.989 365 HG22 ILE 49 2HG2 ILE 49 -1.482 -5.781 -2.393 366 HG23 ILE 49 3HG2 ILE 49 -2.964 -6.083 -1.486 367 HD11 ILE 49 3HD1 ILE 49 0.641 -5.535 -1.740 368 HD12 ILE 49 1HD1 ILE 49 0.978 -4.319 -0.509 369 HD13 ILE 49 2HD1 ILE 49 1.931 -5.803 -0.568 370 H LEU 50 H LEU 50 -1.787 -9.868 0.050 371 HA LEU 50 HA LEU 50 -3.558 -10.338 -2.049 372 HB2 LEU 50 2HB LEU 50 -3.013 -12.482 -0.053 373 HB3 LEU 50 3HB LEU 50 -3.064 -12.573 -1.812 374 HG LEU 50 HG LEU 50 -0.833 -11.470 -0.111 375 HD11 LEU 50 1HD1 LEU 50 -1.154 -13.917 -1.822 376 HD12 LEU 50 2HD1 LEU 50 -0.718 -13.819 -0.117 377 HD13 LEU 50 3HD1 LEU 50 0.425 -13.289 -1.351 378 HD21 LEU 50 3HD2 LEU 50 0.080 -11.621 -2.700 379 HD22 LEU 50 1HD2 LEU 50 -0.382 -10.146 -1.851 380 HD23 LEU 50 2HD2 LEU 50 -1.547 -10.967 -2.889 381 H ASP 51 H ASP 51 -4.010 -11.078 1.411 382 HA ASP 51 HA ASP 51 -6.563 -12.069 1.357 383 HB2 ASP 51 2HB ASP 51 -4.842 -11.462 3.338 384 HB3 ASP 51 3HB ASP 51 -5.998 -10.150 3.546 385 H GLN 52 H GLN 52 -8.601 -10.993 2.105 386 HA GLN 52 HA GLN 52 -9.000 -8.556 0.540 387 HB2 GLN 52 2HB GLN 52 -11.444 -9.079 0.913 388 HB3 GLN 52 3HB GLN 52 -10.549 -10.264 -0.029 389 HG2 GLN 52 2HG GLN 52 -10.353 -11.691 1.937 390 HG3 GLN 52 3HG GLN 52 -11.235 -10.501 2.892 391 HE21 GLN 52 1HE2 GLN 52 -11.789 -11.705 -0.388 392 HE22 GLN 52 2HE2 GLN 52 -13.381 -12.305 -0.087 393 H ASP 53 H ASP 53 -9.662 -9.855 3.776 394 HA ASP 53 HA ASP 53 -9.946 -7.080 4.730 395 HB2 ASP 53 2HB ASP 53 -11.232 -9.528 5.953 396 HB3 ASP 53 3HB ASP 53 -11.493 -7.849 6.418 397 H LYS 54 H LYS 54 -7.642 -9.104 4.520 398 HA LYS 54 HA LYS 54 -5.933 -9.933 5.814 399 HB2 LYS 54 2HB LYS 54 -6.376 -7.185 6.994 400 HB3 LYS 54 3HB LYS 54 -4.946 -8.166 7.286 401 HG2 LYS 54 2HG LYS 54 -4.322 -6.672 5.603 402 HG3 LYS 54 3HG LYS 54 -4.639 -8.190 4.761 403 HD2 LYS 54 2HD LYS 54 -6.656 -7.417 3.878 404 HD3 LYS 54 3HD LYS 54 -6.785 -6.118 5.066 405 HE2 LYS 54 2HE LYS 54 -4.775 -6.286 2.823 406 HE3 LYS 54 3HE LYS 54 -6.196 -5.245 2.865 407 HZ1 LYS 54 3HZ LYS 54 -3.630 -4.895 4.117 408 HZ2 LYS 54 1HZ LYS 54 -4.928 -4.625 5.168 409 HZ3 LYS 54 2HZ LYS 54 -4.809 -3.746 3.728 410 H SER 55 H SER 55 -8.377 -10.916 6.735 411 HA SER 55 HA SER 55 -8.899 -10.558 9.451 412 HB2 SER 55 2HB SER 55 -9.220 -13.179 7.983 413 HB3 SER 55 3HB SER 55 -10.166 -12.580 9.345 414 HG SER 55 HG SER 55 -11.437 -11.731 7.920 415 H GLY 56 H GLY 56 -6.311 -12.188 7.873 416 HA2 GLY 56 2HA GLY 56 -4.374 -12.477 9.469 417 HA3 GLY 56 3HA GLY 56 -5.503 -13.415 10.435 418 H PHE 57 H PHE 57 -6.594 -14.341 7.673 419 HA PHE 57 HA PHE 57 -4.451 -16.071 6.772 420 HB2 PHE 57 2HB PHE 57 -6.983 -17.226 7.961 421 HB3 PHE 57 3HB PHE 57 -5.718 -18.145 7.151 422 HD1 PHE 57 HD1 PHE 57 -3.574 -18.525 8.222 423 HD2 PHE 57 HD2 PHE 57 -6.679 -16.382 10.193 424 HE1 PHE 57 HE1 PHE 57 -2.394 -18.792 10.365 425 HE2 PHE 57 HE2 PHE 57 -5.504 -16.645 12.338 426 HZ PHE 57 HZ PHE 57 -3.358 -17.851 12.426 427 H ILE 58 H ILE 58 -5.064 -17.333 4.860 428 HA ILE 58 HA ILE 58 -7.368 -16.180 3.433 429 HB ILE 58 HB ILE 58 -4.563 -16.591 2.427 430 HG12 ILE 58 2HG1 ILE 58 -6.444 -14.242 2.143 431 HG13 ILE 58 3HG1 ILE 58 -5.282 -14.406 3.455 432 HG21 ILE 58 1HG2 ILE 58 -5.869 -17.635 0.753 433 HG22 ILE 58 2HG2 ILE 58 -7.104 -16.380 0.833 434 HG23 ILE 58 3HG2 ILE 58 -5.516 -16.011 0.162 435 HD11 ILE 58 3HD1 ILE 58 -3.566 -14.673 1.512 436 HD12 ILE 58 1HD1 ILE 58 -4.817 -13.866 0.567 437 HD13 ILE 58 2HD1 ILE 58 -4.137 -13.074 1.990 438 H GLU 59 H GLU 59 -8.781 -17.816 3.332 439 HA GLU 59 HA GLU 59 -7.985 -20.557 3.150 440 HB2 GLU 59 2HB GLU 59 -10.742 -19.467 2.604 441 HB3 GLU 59 3HB GLU 59 -10.307 -21.076 3.164 442 HG2 GLU 59 2HG GLU 59 -10.795 -20.330 5.197 443 HG3 GLU 59 3HG GLU 59 -9.262 -19.463 5.116 444 H GLU 60 H GLU 60 -9.358 -21.877 1.388 445 HA GLU 60 HA GLU 60 -8.080 -21.404 -1.071 446 HB2 GLU 60 2HB GLU 60 -8.927 -23.618 -0.242 447 HB3 GLU 60 3HB GLU 60 -10.555 -23.077 -0.624 448 HG2 GLU 60 2HG GLU 60 -8.558 -22.895 -2.791 449 HG3 GLU 60 3HG GLU 60 -9.055 -24.513 -2.299 450 H GLU 61 H GLU 61 -10.900 -20.058 0.283 451 HA GLU 61 HA GLU 61 -12.300 -19.487 -2.137 452 HB2 GLU 61 2HB GLU 61 -12.550 -17.982 0.464 453 HB3 GLU 61 3HB GLU 61 -13.759 -18.155 -0.801 454 HG2 GLU 61 2HG GLU 61 -12.796 -20.239 1.134 455 HG3 GLU 61 3HG GLU 61 -14.416 -19.563 0.975 456 H GLU 62 H GLU 62 -10.189 -17.578 -0.009 457 HA GLU 62 HA GLU 62 -10.210 -15.357 -1.881 458 HB2 GLU 62 2HB GLU 62 -9.359 -15.789 0.908 459 HB3 GLU 62 3HB GLU 62 -8.346 -14.686 -0.013 460 HG2 GLU 62 2HG GLU 62 -9.820 -13.156 0.697 461 HG3 GLU 62 3HG GLU 62 -10.776 -13.739 -0.665 462 H LEU 63 H LEU 63 -8.649 -18.220 -1.778 463 HA LEU 63 HA LEU 63 -5.985 -17.323 -2.439 464 HB2 LEU 63 2HB LEU 63 -6.840 -19.568 -1.323 465 HB3 LEU 63 3HB LEU 63 -6.901 -20.095 -3.003 466 HG LEU 63 HG LEU 63 -4.498 -19.560 -3.223 467 HD11 LEU 63 1HD1 LEU 63 -4.945 -18.218 -0.765 468 HD12 LEU 63 2HD1 LEU 63 -3.471 -18.290 -1.729 469 HD13 LEU 63 3HD1 LEU 63 -3.769 -19.501 -0.483 470 HD21 LEU 63 3HD2 LEU 63 -4.012 -21.648 -2.605 471 HD22 LEU 63 1HD2 LEU 63 -5.678 -21.748 -2.035 472 HD23 LEU 63 2HD2 LEU 63 -4.387 -21.323 -0.911 473 H GLN 64 H GLN 64 -8.889 -18.235 -4.125 474 HA GLN 64 HA GLN 64 -7.722 -18.724 -6.662 475 HB2 GLN 64 2HB GLN 64 -9.924 -18.758 -7.512 476 HB3 GLN 64 3HB GLN 64 -10.048 -19.391 -5.876 477 HG2 GLN 64 2HG GLN 64 -10.868 -17.261 -5.079 478 HG3 GLN 64 3HG GLN 64 -10.665 -16.558 -6.683 479 HE21 GLN 64 1HE2 GLN 64 -12.879 -16.016 -6.687 480 HE22 GLN 64 2HE2 GLN 64 -14.090 -17.207 -7.000 481 H LEU 65 H LEU 65 -7.855 -15.936 -4.897 482 HA LEU 65 HA LEU 65 -8.004 -14.212 -7.274 483 HB2 LEU 65 2HB LEU 65 -7.927 -13.150 -4.487 484 HB3 LEU 65 3HB LEU 65 -8.663 -12.456 -5.930 485 HG LEU 65 HG LEU 65 -9.766 -14.898 -4.559 486 HD11 LEU 65 1HD1 LEU 65 -11.416 -13.357 -3.539 487 HD12 LEU 65 2HD1 LEU 65 -10.433 -11.998 -4.084 488 HD13 LEU 65 3HD1 LEU 65 -9.780 -13.146 -2.916 489 HD21 LEU 65 3HD2 LEU 65 -11.516 -13.055 -6.012 490 HD22 LEU 65 1HD2 LEU 65 -11.421 -14.816 -6.066 491 HD23 LEU 65 2HD2 LEU 65 -10.298 -13.842 -7.017 492 H PHE 66 H PHE 66 -5.701 -15.890 -6.269 493 HA PHE 66 HA PHE 66 -3.708 -14.192 -5.222 494 HB2 PHE 66 2HB PHE 66 -3.491 -16.610 -5.094 495 HB3 PHE 66 3HB PHE 66 -3.458 -16.729 -6.850 496 HD1 PHE 66 HD1 PHE 66 -1.601 -15.436 -3.923 497 HD2 PHE 66 HD2 PHE 66 -1.449 -16.516 -8.037 498 HE1 PHE 66 HE1 PHE 66 0.851 -15.229 -3.883 499 HE2 PHE 66 HE2 PHE 66 1.002 -16.312 -8.004 500 HZ PHE 66 HZ PHE 66 2.156 -15.669 -5.925 501 H LEU 67 H LEU 67 -4.830 -14.811 -8.469 502 HA LEU 67 HA LEU 67 -2.607 -13.431 -9.703 503 HB2 LEU 67 2HB LEU 67 -5.153 -14.628 -10.762 504 HB3 LEU 67 3HB LEU 67 -4.039 -13.720 -11.782 505 HG LEU 67 HG LEU 67 -3.335 -16.242 -10.284 506 HD11 LEU 67 1HD1 LEU 67 -4.812 -15.893 -12.684 507 HD12 LEU 67 2HD1 LEU 67 -4.264 -17.391 -11.933 508 HD13 LEU 67 3HD1 LEU 67 -3.232 -16.559 -13.096 509 HD21 LEU 67 3HD2 LEU 67 -1.490 -16.010 -12.207 510 HD22 LEU 67 1HD2 LEU 67 -1.285 -15.331 -10.592 511 HD23 LEU 67 2HD2 LEU 67 -1.819 -14.301 -11.920 512 H LYS 68 H LYS 68 -5.085 -12.351 -7.945 513 HA LYS 68 HA LYS 68 -5.779 -10.086 -9.659 514 HB2 LYS 68 2HB LYS 68 -6.832 -10.782 -6.913 515 HB3 LYS 68 3HB LYS 68 -7.482 -9.570 -8.009 516 HG2 LYS 68 2HG LYS 68 -7.394 -12.523 -8.589 517 HG3 LYS 68 3HG LYS 68 -8.795 -11.662 -7.947 518 HD2 LYS 68 2HD LYS 68 -7.702 -10.382 -10.315 519 HD3 LYS 68 3HD LYS 68 -8.184 -12.053 -10.620 520 HE2 LYS 68 2HE LYS 68 -10.404 -11.622 -9.837 521 HE3 LYS 68 3HE LYS 68 -9.949 -10.016 -9.271 522 HZ1 LYS 68 3HZ LYS 68 -9.297 -9.768 -11.803 523 HZ2 LYS 68 1HZ LYS 68 -10.866 -9.462 -11.250 524 HZ3 LYS 68 2HZ LYS 68 -10.502 -10.942 -11.983 525 H ASN 69 H ASN 69 -3.699 -10.917 -7.080 526 HA ASN 69 HA ASN 69 -3.424 -8.221 -6.067 527 HB2 ASN 69 2HB ASN 69 -1.529 -10.469 -5.447 528 HB3 ASN 69 3HB ASN 69 -2.015 -9.118 -4.426 529 HD21 ASN 69 1HD2 ASN 69 -2.263 -12.313 -4.717 530 HD22 ASN 69 2HD2 ASN 69 -3.802 -12.583 -3.980 531 H PHE 70 H PHE 70 -2.070 -10.124 -8.557 532 HA PHE 70 HA PHE 70 0.240 -8.318 -8.789 533 HB2 PHE 70 2HB PHE 70 -0.234 -11.039 -10.024 534 HB3 PHE 70 3HB PHE 70 1.190 -10.042 -10.302 535 HD1 PHE 70 HD2 PHE 70 -0.723 -11.770 -7.634 536 HD2 PHE 70 HD1 PHE 70 3.021 -10.168 -8.873 537 HE1 PHE 70 HE2 PHE 70 0.354 -12.766 -5.658 538 HE2 PHE 70 HE1 PHE 70 4.103 -11.162 -6.900 539 HZ PHE 70 HZ PHE 70 2.769 -12.462 -5.289 540 H SER 71 H SER 71 -2.313 -9.875 -10.706 541 HA SER 71 HA SER 71 -2.090 -7.655 -12.632 542 HB2 SER 71 2HB SER 71 -2.502 -9.117 -14.447 543 HB3 SER 71 3HB SER 71 -1.316 -9.959 -13.449 544 HG SER 71 HG SER 71 -2.707 -11.515 -13.343 545 H SER 72 H SER 72 -4.049 -6.994 -13.658 546 HA SER 72 HA SER 72 -6.399 -7.463 -11.966 547 HB2 SER 72 2HB SER 72 -5.802 -5.132 -12.156 548 HB3 SER 72 3HB SER 72 -5.746 -5.243 -13.915 549 HG SER 72 HG SER 72 -8.068 -5.678 -12.342 550 H SER 73 H SER 73 -5.104 -8.322 -14.950 551 HA SER 73 HA SER 73 -7.554 -8.504 -16.432 552 HB2 SER 73 2HB SER 73 -5.754 -8.313 -17.871 553 HB3 SER 73 3HB SER 73 -4.717 -9.340 -16.880 554 HG SER 73 HG SER 73 -5.314 -10.956 -18.063 555 H ALA 74 H ALA 74 -5.374 -10.904 -14.954 556 HA ALA 74 HA ALA 74 -6.798 -13.201 -15.505 557 HB1 ALA 74 1HB ALA 74 -4.739 -13.616 -14.573 558 HB2 ALA 74 2HB ALA 74 -4.955 -12.420 -13.294 559 HB3 ALA 74 3HB ALA 74 -5.803 -13.963 -13.210 560 H ARG 75 H ARG 75 -8.608 -14.146 -14.760 561 HA ARG 75 HA ARG 75 -10.392 -12.607 -13.122 562 HB2 ARG 75 2HB ARG 75 -11.038 -15.436 -13.709 563 HB3 ARG 75 3HB ARG 75 -12.033 -13.995 -13.872 564 HG2 ARG 75 2HG ARG 75 -10.587 -13.414 -15.881 565 HG3 ARG 75 3HG ARG 75 -9.984 -15.070 -15.779 566 HD2 ARG 75 2HD ARG 75 -12.279 -15.908 -15.981 567 HD3 ARG 75 3HD ARG 75 -12.869 -14.251 -16.098 568 HE ARG 75 HE ARG 75 -12.271 -14.252 -18.298 569 HH11 ARG 75 1HH1 ARG 75 -10.536 -16.793 -16.671 570 HH12 ARG 75 2HH1 ARG 75 -9.840 -17.428 -18.126 571 HH21 ARG 75 1HH2 ARG 75 -11.362 -15.078 -20.220 572 HH22 ARG 75 2HH2 ARG 75 -10.310 -16.451 -20.144 573 H VAL 76 H VAL 76 -9.450 -16.027 -12.783 574 HA VAL 76 HA VAL 76 -8.616 -15.676 -10.058 575 HB VAL 76 HB VAL 76 -10.386 -17.463 -9.318 576 HG11 VAL 76 1HG1 VAL 76 -10.042 -15.005 -8.605 577 HG12 VAL 76 2HG1 VAL 76 -11.439 -14.677 -9.632 578 HG13 VAL 76 3HG1 VAL 76 -11.588 -15.779 -8.263 579 HG21 VAL 76 3HG2 VAL 76 -12.158 -16.002 -11.217 580 HG22 VAL 76 1HG2 VAL 76 -11.245 -17.394 -11.799 581 HG23 VAL 76 2HG2 VAL 76 -12.376 -17.578 -10.458 582 H LEU 77 H LEU 77 -7.841 -17.672 -9.094 583 HA LEU 77 HA LEU 77 -6.300 -19.217 -10.801 584 HB2 LEU 77 2HB LEU 77 -7.325 -19.994 -8.075 585 HB3 LEU 77 3HB LEU 77 -5.945 -20.708 -8.906 586 HG LEU 77 HG LEU 77 -6.179 -18.009 -7.620 587 HD11 LEU 77 1HD1 LEU 77 -3.900 -18.827 -6.763 588 HD12 LEU 77 2HD1 LEU 77 -4.410 -20.411 -7.346 589 HD13 LEU 77 3HD1 LEU 77 -5.356 -19.580 -6.113 590 HD21 LEU 77 3HD2 LEU 77 -4.122 -18.882 -9.646 591 HD22 LEU 77 1HD2 LEU 77 -3.993 -17.452 -8.621 592 HD23 LEU 77 2HD2 LEU 77 -5.283 -17.565 -9.819 593 H THR 78 H THR 78 -6.420 -21.666 -10.951 594 HA THR 78 HA THR 78 -9.195 -22.550 -11.391 595 HB THR 78 HB THR 78 -7.975 -21.943 -13.535 596 HG1 THR 78 HG1 THR 78 -9.026 -23.567 -14.548 597 HG21 THR 78 3HG2 THR 78 -5.827 -23.103 -12.604 598 HG22 THR 78 1HG2 THR 78 -6.204 -23.206 -14.323 599 HG23 THR 78 2HG2 THR 78 -6.563 -24.565 -13.259 600 H SER 79 H SER 79 -8.700 -25.115 -12.229 601 HA SER 79 HA SER 79 -8.049 -26.395 -9.752 602 HB2 SER 79 2HB SER 79 -8.602 -28.479 -10.929 603 HB3 SER 79 3HB SER 79 -9.835 -27.252 -11.215 604 HG SER 79 HG SER 79 -9.262 -28.278 -13.153 605 H ALA 80 H ALA 80 -5.801 -25.212 -10.096 606 HA ALA 80 HA ALA 80 -3.854 -27.208 -10.256 607 HB1 ALA 80 1HB ALA 80 -3.010 -25.643 -12.479 608 HB2 ALA 80 2HB ALA 80 -3.321 -27.377 -12.401 609 HB3 ALA 80 3HB ALA 80 -4.628 -26.265 -12.807 610 H GLU 81 H GLU 81 -4.580 -23.785 -10.667 611 HA GLU 81 HA GLU 81 -1.975 -22.938 -9.772 612 HB2 GLU 81 2HB GLU 81 -4.518 -21.349 -10.166 613 HB3 GLU 81 3HB GLU 81 -2.922 -20.669 -9.879 614 HG2 GLU 81 2HG GLU 81 -2.313 -22.098 -12.010 615 HG3 GLU 81 3HG GLU 81 -4.040 -21.929 -12.322 616 H THR 82 H THR 82 -5.263 -22.931 -8.430 617 HA THR 82 HA THR 82 -4.536 -21.804 -5.933 618 HB THR 82 HB THR 82 -6.872 -23.588 -5.902 619 HG1 THR 82 HG1 THR 82 -7.953 -22.669 -7.529 620 HG21 THR 82 3HG2 THR 82 -7.157 -20.672 -5.601 621 HG22 THR 82 1HG2 THR 82 -6.043 -21.440 -4.471 622 HG23 THR 82 2HG2 THR 82 -7.720 -21.979 -4.561 623 H LYS 83 H LYS 83 -4.783 -25.107 -7.121 624 HA LYS 83 HA LYS 83 -4.456 -26.352 -4.578 625 HB2 LYS 83 2HB LYS 83 -3.943 -27.466 -7.342 626 HB3 LYS 83 3HB LYS 83 -4.090 -28.409 -5.864 627 HG2 LYS 83 2HG LYS 83 -6.315 -26.630 -6.784 628 HG3 LYS 83 3HG LYS 83 -6.113 -28.259 -7.434 629 HD2 LYS 83 2HD LYS 83 -6.483 -29.260 -5.351 630 HD3 LYS 83 3HD LYS 83 -6.183 -27.757 -4.475 631 HE2 LYS 83 2HE LYS 83 -8.260 -26.912 -5.824 632 HE3 LYS 83 3HE LYS 83 -8.610 -28.632 -5.978 633 HZ1 LYS 83 3HZ LYS 83 -8.184 -27.215 -3.404 634 HZ2 LYS 83 1HZ LYS 83 -8.618 -28.839 -3.594 635 HZ3 LYS 83 2HZ LYS 83 -9.695 -27.617 -4.048 636 H ALA 84 H ALA 84 -2.248 -25.679 -7.278 637 HA ALA 84 HA ALA 84 0.042 -26.800 -6.035 638 HB1 ALA 84 1HB ALA 84 0.133 -24.646 -8.124 639 HB2 ALA 84 2HB ALA 84 1.271 -25.965 -7.845 640 HB3 ALA 84 3HB ALA 84 -0.325 -26.304 -8.513 641 H PHE 85 H PHE 85 -1.698 -24.027 -5.342 642 HA PHE 85 HA PHE 85 0.638 -22.627 -4.243 643 HB2 PHE 85 2HB PHE 85 -0.939 -21.372 -5.741 644 HB3 PHE 85 3HB PHE 85 -2.188 -21.589 -4.518 645 HD1 PHE 85 HD1 PHE 85 1.070 -20.012 -5.221 646 HD2 PHE 85 HD2 PHE 85 -2.271 -20.222 -2.593 647 HE1 PHE 85 HE1 PHE 85 1.848 -17.978 -4.076 648 HE2 PHE 85 HE2 PHE 85 -1.500 -18.188 -1.444 649 HZ PHE 85 HZ PHE 85 0.562 -17.063 -2.185 650 H LEU 86 H LEU 86 -2.634 -23.692 -3.357 651 HA LEU 86 HA LEU 86 -2.410 -23.011 -0.618 652 HB2 LEU 86 2HB LEU 86 -4.474 -23.640 -2.148 653 HB3 LEU 86 3HB LEU 86 -4.167 -25.246 -1.491 654 HG LEU 86 HG LEU 86 -4.512 -22.896 0.334 655 HD11 LEU 86 1HD1 LEU 86 -6.922 -24.435 0.036 656 HD12 LEU 86 2HD1 LEU 86 -6.460 -23.699 -1.499 657 HD13 LEU 86 3HD1 LEU 86 -6.683 -22.690 -0.069 658 HD21 LEU 86 3HD2 LEU 86 -4.655 -24.436 1.970 659 HD22 LEU 86 1HD2 LEU 86 -3.801 -25.458 0.813 660 HD23 LEU 86 2HD2 LEU 86 -5.555 -25.574 0.966 661 H ALA 87 H ALA 87 -2.224 -26.170 -2.263 662 HA ALA 87 HA ALA 87 -1.472 -27.623 0.036 663 HB1 ALA 87 1HB ALA 87 -1.000 -29.440 -1.446 664 HB2 ALA 87 2HB ALA 87 -2.433 -28.604 -2.045 665 HB3 ALA 87 3HB ALA 87 -0.872 -28.349 -2.826 666 H ALA 88 H ALA 88 0.264 -25.459 -1.921 667 HA ALA 88 HA ALA 88 2.860 -26.604 -1.208 668 HB1 ALA 88 1HB ALA 88 3.809 -24.973 -2.738 669 HB2 ALA 88 2HB ALA 88 2.519 -25.881 -3.527 670 HB3 ALA 88 3HB ALA 88 2.222 -24.236 -2.964 671 H GLY 89 H GLY 89 0.737 -23.957 -0.431 672 HA2 GLY 89 2HA GLY 89 2.822 -22.637 1.149 673 HA3 GLY 89 3HA GLY 89 1.235 -21.980 0.778 674 H ASP 90 H ASP 90 -0.599 -23.485 1.700 675 HA ASP 90 HA ASP 90 -0.603 -23.242 4.447 676 HB2 ASP 90 2HB ASP 90 -2.706 -23.524 3.461 677 HB3 ASP 90 3HB ASP 90 -2.200 -24.953 2.565 678 H THR 91 H THR 91 0.980 -24.080 5.676 679 HA THR 91 HA THR 91 1.458 -26.983 5.481 680 HB THR 91 HB THR 91 3.724 -26.394 6.568 681 HG1 THR 91 HG1 THR 91 4.310 -24.335 6.570 682 HG21 THR 91 3HG2 THR 91 4.436 -25.471 4.119 683 HG22 THR 91 1HG2 THR 91 2.861 -26.177 3.760 684 HG23 THR 91 2HG2 THR 91 4.127 -27.169 4.485 685 H ASP 92 H ASP 92 1.289 -24.187 7.641 686 HA ASP 92 HA ASP 92 0.782 -26.042 9.876 687 HB2 ASP 92 2HB ASP 92 2.900 -24.634 9.993 688 HB3 ASP 92 3HB ASP 92 1.846 -23.233 10.162 689 H GLY 93 H GLY 93 -1.167 -24.985 7.989 690 HA2 GLY 93 2HA GLY 93 -2.817 -23.438 9.891 691 HA3 GLY 93 3HA GLY 93 -2.805 -23.087 8.169 692 H ASP 94 H ASP 94 -5.176 -23.397 8.557 693 HA ASP 94 HA ASP 94 -5.853 -26.213 8.064 694 HB2 ASP 94 2HB ASP 94 -7.944 -25.887 9.397 695 HB3 ASP 94 3HB ASP 94 -6.470 -25.830 10.360 696 H GLY 95 H GLY 95 -6.119 -25.890 5.874 697 HA2 GLY 95 2HA GLY 95 -7.278 -25.375 3.960 698 HA3 GLY 95 3HA GLY 95 -8.634 -24.964 5.000 699 H LYS 96 H LYS 96 -5.459 -23.433 5.029 700 HA LYS 96 HA LYS 96 -6.116 -21.222 3.411 701 HB2 LYS 96 2HB LYS 96 -6.395 -19.497 5.136 702 HB3 LYS 96 3HB LYS 96 -7.689 -20.686 5.199 703 HG2 LYS 96 2HG LYS 96 -6.317 -21.825 7.025 704 HG3 LYS 96 3HG LYS 96 -5.385 -20.327 7.083 705 HD2 LYS 96 2HD LYS 96 -6.985 -19.940 8.699 706 HD3 LYS 96 3HD LYS 96 -7.734 -19.206 7.279 707 HE2 LYS 96 2HE LYS 96 -8.725 -21.637 6.986 708 HE3 LYS 96 3HE LYS 96 -8.432 -21.714 8.723 709 HZ1 LYS 96 3HZ LYS 96 -9.833 -19.381 7.627 710 HZ2 LYS 96 1HZ LYS 96 -9.977 -20.104 9.149 711 HZ3 LYS 96 2HZ LYS 96 -10.685 -20.832 7.797 712 H ILE 97 H ILE 97 -4.552 -19.323 3.898 713 HA ILE 97 HA ILE 97 -2.002 -20.385 4.917 714 HB ILE 97 HB ILE 97 -2.402 -18.780 2.391 715 HG12 ILE 97 2HG1 ILE 97 -1.310 -21.562 2.866 716 HG13 ILE 97 3HG1 ILE 97 -2.870 -21.175 2.149 717 HG21 ILE 97 1HG2 ILE 97 0.052 -18.939 2.146 718 HG22 ILE 97 2HG2 ILE 97 -0.440 -17.972 3.536 719 HG23 ILE 97 3HG2 ILE 97 0.143 -19.620 3.771 720 HD11 ILE 97 3HD1 ILE 97 -0.167 -20.537 0.992 721 HD12 ILE 97 1HD1 ILE 97 -1.280 -21.788 0.441 722 HD13 ILE 97 2HD1 ILE 97 -1.715 -20.087 0.279 723 H GLY 98 H GLY 98 -0.653 -18.934 5.955 724 HA2 GLY 98 2HA GLY 98 -1.842 -16.278 6.475 725 HA3 GLY 98 3HA GLY 98 -0.981 -17.209 7.691 726 H VAL 99 H VAL 99 0.986 -16.482 8.097 727 HA VAL 99 HA VAL 99 2.442 -15.095 5.943 728 HB VAL 99 HB VAL 99 3.764 -14.502 8.307 729 HG11 VAL 99 1HG1 VAL 99 3.331 -12.339 7.727 730 HG12 VAL 99 2HG1 VAL 99 2.895 -13.133 6.212 731 HG13 VAL 99 3HG1 VAL 99 1.638 -12.659 7.355 732 HG21 VAL 99 3HG2 VAL 99 2.004 -13.666 9.809 733 HG22 VAL 99 1HG2 VAL 99 0.784 -14.405 8.771 734 HG23 VAL 99 2HG2 VAL 99 1.944 -15.419 9.630 735 H GLU 100 H GLU 100 3.087 -17.038 8.868 736 HA GLU 100 HA GLU 100 5.717 -17.718 8.267 737 HB2 GLU 100 2HB GLU 100 3.698 -18.552 10.156 738 HB3 GLU 100 3HB GLU 100 4.624 -19.937 9.594 739 HG2 GLU 100 2HG GLU 100 6.678 -18.428 10.104 740 HG3 GLU 100 3HG GLU 100 5.537 -17.539 11.112 741 H GLU 101 H GLU 101 2.725 -18.998 7.045 742 HA GLU 101 HA GLU 101 4.049 -21.274 5.799 743 HB2 GLU 101 2HB GLU 101 1.160 -20.444 5.526 744 HB3 GLU 101 3HB GLU 101 1.860 -22.015 5.164 745 HG2 GLU 101 2HG GLU 101 2.216 -22.482 7.462 746 HG3 GLU 101 3HG GLU 101 1.829 -20.825 7.922 747 H PHE 102 H PHE 102 3.364 -18.054 5.083 748 HA PHE 102 HA PHE 102 3.039 -18.400 2.232 749 HB2 PHE 102 2HB PHE 102 1.941 -16.540 3.460 750 HB3 PHE 102 3HB PHE 102 3.529 -15.868 3.814 751 HD1 PHE 102 HD1 PHE 102 1.211 -16.722 1.059 752 HD2 PHE 102 HD2 PHE 102 4.632 -14.497 2.269 753 HE1 PHE 102 HE1 PHE 102 1.157 -15.489 -1.069 754 HE2 PHE 102 HE2 PHE 102 4.583 -13.260 0.143 755 HZ PHE 102 HZ PHE 102 2.844 -13.754 -1.529 756 H GLN 103 H GLN 103 5.449 -16.658 4.207 757 HA GLN 103 HA GLN 103 7.333 -16.267 2.217 758 HB2 GLN 103 2HB GLN 103 8.994 -16.112 4.086 759 HB3 GLN 103 3HB GLN 103 7.558 -15.121 4.305 760 HG2 GLN 103 2HG GLN 103 6.635 -16.730 5.849 761 HG3 GLN 103 3HG GLN 103 7.997 -17.814 5.572 762 HE21 GLN 103 1HE2 GLN 103 7.599 -14.360 6.300 763 HE22 GLN 103 2HE2 GLN 103 8.720 -14.334 7.614 764 H SER 104 H SER 104 6.835 -19.059 4.309 765 HA SER 104 HA SER 104 9.166 -20.475 3.721 766 HB2 SER 104 2HB SER 104 7.506 -21.064 5.503 767 HB3 SER 104 3HB SER 104 6.438 -21.678 4.241 768 HG SER 104 HG SER 104 7.601 -23.422 4.140 769 H LEU 105 H LEU 105 6.436 -19.797 1.766 770 HA LEU 105 HA LEU 105 7.068 -21.943 -0.118 771 HB2 LEU 105 2HB LEU 105 4.748 -21.738 0.328 772 HB3 LEU 105 3HB LEU 105 4.789 -19.992 0.087 773 HG LEU 105 HG LEU 105 5.483 -21.741 -2.218 774 HD11 LEU 105 1HD1 LEU 105 3.578 -22.920 -1.748 775 HD12 LEU 105 2HD1 LEU 105 2.909 -21.592 -2.695 776 HD13 LEU 105 3HD1 LEU 105 2.802 -21.560 -0.935 777 HD21 LEU 105 3HD2 LEU 105 5.123 -19.028 -1.807 778 HD22 LEU 105 1HD2 LEU 105 3.636 -19.540 -2.604 779 HD23 LEU 105 2HD2 LEU 105 5.196 -19.853 -3.365 780 H VAL 106 H VAL 106 6.821 -18.410 0.030 781 HA VAL 106 HA VAL 106 7.501 -17.849 -2.622 782 HB VAL 106 HB VAL 106 8.188 -16.176 -0.203 783 HG11 VAL 106 1HG1 VAL 106 9.173 -14.882 -1.732 784 HG12 VAL 106 2HG1 VAL 106 8.472 -15.790 -3.073 785 HG13 VAL 106 3HG1 VAL 106 7.546 -14.505 -2.297 786 HG21 VAL 106 3HG2 VAL 106 5.859 -15.291 -1.608 787 HG22 VAL 106 1HG2 VAL 106 5.657 -16.979 -1.143 788 HG23 VAL 106 2HG2 VAL 106 6.023 -15.765 0.082 789 H LYS 107 H LYS 107 9.568 -18.200 0.243 790 HA LYS 107 HA LYS 107 12.006 -17.602 -1.025 791 HB2 LYS 107 2HB LYS 107 11.433 -19.321 1.395 792 HB3 LYS 107 3HB LYS 107 13.041 -18.804 0.903 793 HG2 LYS 107 2HG LYS 107 11.704 -16.433 0.998 794 HG3 LYS 107 3HG LYS 107 10.939 -17.337 2.307 795 HD2 LYS 107 2HD LYS 107 13.923 -17.063 1.986 796 HD3 LYS 107 3HD LYS 107 12.943 -15.981 2.978 797 HE2 LYS 107 2HE LYS 107 12.567 -18.867 3.453 798 HE3 LYS 107 3HE LYS 107 14.138 -18.212 3.910 799 HZ1 LYS 107 3HZ LYS 107 13.259 -17.077 5.610 800 HZ2 LYS 107 1HZ LYS 107 11.960 -18.152 5.469 801 HZ3 LYS 107 2HZ LYS 107 11.874 -16.624 4.750 802 H ALA 108 H ALA 108 9.970 -20.313 -1.270 803 HA ALA 108 HA ALA 108 12.095 -22.128 -2.089 804 HB1 ALA 108 1HB ALA 108 10.008 -22.762 -0.712 805 HB2 ALA 108 2HB ALA 108 9.171 -22.749 -2.265 806 HB3 ALA 108 3HB ALA 108 10.531 -23.842 -2.004 Start of MODEL 12 1 H1 ALA 1 H ALA 1 -0.485 0.032 -4.482 2 HA ALA 1 HA ALA 1 1.633 0.822 -3.573 3 HB1 ALA 1 1HB ALA 1 1.049 1.116 -1.255 4 HB2 ALA 1 2HB ALA 1 -0.406 1.266 -2.241 5 HB3 ALA 1 3HB ALA 1 -0.102 -0.218 -1.338 6 H ILE 2 H ILE 2 2.328 -1.699 -4.499 7 HA ILE 2 HA ILE 2 3.688 -2.917 -2.188 8 HB ILE 2 HB ILE 2 2.164 -4.435 -3.403 9 HG12 ILE 2 2HG1 ILE 2 3.775 -6.274 -3.698 10 HG13 ILE 2 3HG1 ILE 2 5.098 -5.113 -3.717 11 HG21 ILE 2 1HG2 ILE 2 2.094 -4.573 -5.622 12 HG22 ILE 2 2HG2 ILE 2 3.193 -3.195 -5.666 13 HG23 ILE 2 3HG2 ILE 2 3.834 -4.837 -5.726 14 HD11 ILE 2 3HD1 ILE 2 3.542 -4.721 -1.360 15 HD12 ILE 2 1HD1 ILE 2 3.970 -6.426 -1.508 16 HD13 ILE 2 2HD1 ILE 2 5.234 -5.195 -1.516 17 H THR 3 H THR 3 4.118 -1.273 -5.170 18 HA THR 3 HA THR 3 6.621 -2.102 -6.010 19 HB THR 3 HB THR 3 6.897 0.119 -7.021 20 HG1 THR 3 HG1 THR 3 4.546 0.795 -5.551 21 HG21 THR 3 3HG2 THR 3 4.134 -0.018 -7.680 22 HG22 THR 3 1HG2 THR 3 4.720 -1.662 -7.430 23 HG23 THR 3 2HG2 THR 3 5.513 -0.613 -8.604 24 H ASP 4 H ASP 4 5.745 -0.174 -3.260 25 HA ASP 4 HA ASP 4 8.173 1.118 -2.749 26 HB2 ASP 4 2HB ASP 4 5.874 0.252 -1.030 27 HB3 ASP 4 3HB ASP 4 7.329 0.902 -0.279 28 H ILE 5 H ILE 5 7.301 -2.190 -2.488 29 HA ILE 5 HA ILE 5 9.810 -2.749 -1.045 30 HB ILE 5 HB ILE 5 7.643 -4.790 -1.144 31 HG12 ILE 5 2HG1 ILE 5 7.652 -2.396 0.706 32 HG13 ILE 5 3HG1 ILE 5 6.424 -2.788 -0.492 33 HG21 ILE 5 1HG2 ILE 5 9.871 -5.264 -0.188 34 HG22 ILE 5 2HG2 ILE 5 9.595 -4.003 1.013 35 HG23 ILE 5 3HG2 ILE 5 8.569 -5.437 0.989 36 HD11 ILE 5 3HD1 ILE 5 5.499 -3.444 1.539 37 HD12 ILE 5 1HD1 ILE 5 6.089 -4.946 0.828 38 HD13 ILE 5 2HD1 ILE 5 7.012 -4.152 2.105 39 H LEU 6 H LEU 6 7.570 -3.998 -3.506 40 HA LEU 6 HA LEU 6 9.698 -5.689 -4.584 41 HB2 LEU 6 2HB LEU 6 6.769 -5.694 -4.648 42 HB3 LEU 6 3HB LEU 6 7.526 -6.103 -6.185 43 HG LEU 6 HG LEU 6 8.620 -7.995 -5.228 44 HD11 LEU 6 1HD1 LEU 6 8.183 -6.565 -2.753 45 HD12 LEU 6 2HD1 LEU 6 9.328 -7.852 -3.127 46 HD13 LEU 6 3HD1 LEU 6 7.684 -8.252 -2.632 47 HD21 LEU 6 3HD2 LEU 6 5.804 -7.928 -4.155 48 HD22 LEU 6 1HD2 LEU 6 6.746 -9.355 -4.584 49 HD23 LEU 6 2HD2 LEU 6 6.228 -8.231 -5.841 50 H SER 7 H SER 7 9.325 -5.844 -7.177 51 HA SER 7 HA SER 7 9.598 -3.079 -8.161 52 HB2 SER 7 2HB SER 7 11.321 -5.421 -8.456 53 HB3 SER 7 3HB SER 7 10.919 -4.672 -10.001 54 HG SER 7 HG SER 7 12.676 -3.586 -9.284 55 H ALA 8 H ALA 8 8.112 -2.467 -9.574 56 HA ALA 8 HA ALA 8 6.104 -4.185 -10.552 57 HB1 ALA 8 1HB ALA 8 5.098 -2.254 -10.975 58 HB2 ALA 8 2HB ALA 8 6.568 -1.416 -10.477 59 HB3 ALA 8 3HB ALA 8 6.323 -1.833 -12.173 60 H LYS 9 H LYS 9 9.268 -3.562 -11.653 61 HA LYS 9 HA LYS 9 8.685 -4.405 -14.388 62 HB2 LYS 9 2HB LYS 9 10.331 -2.504 -13.647 63 HB3 LYS 9 3HB LYS 9 11.444 -3.837 -13.368 64 HG2 LYS 9 2HG LYS 9 11.565 -4.380 -15.609 65 HG3 LYS 9 3HG LYS 9 10.028 -3.599 -15.987 66 HD2 LYS 9 2HD LYS 9 11.306 -1.435 -15.223 67 HD3 LYS 9 3HD LYS 9 12.734 -2.398 -15.609 68 HE2 LYS 9 2HE LYS 9 11.518 -2.873 -17.840 69 HE3 LYS 9 3HE LYS 9 10.526 -1.479 -17.416 70 HZ1 LYS 9 3HZ LYS 9 12.208 -0.056 -17.794 71 HZ2 LYS 9 1HZ LYS 9 12.804 -1.302 -18.771 72 HZ3 LYS 9 2HZ LYS 9 13.397 -1.103 -17.199 73 H ASP 10 H ASP 10 9.422 -5.806 -11.454 74 HA ASP 10 HA ASP 10 10.791 -8.088 -12.705 75 HB2 ASP 10 2HB ASP 10 10.571 -7.299 -9.793 76 HB3 ASP 10 3HB ASP 10 11.380 -8.749 -10.382 77 H ILE 11 H ILE 11 7.982 -7.132 -10.841 78 HA ILE 11 HA ILE 11 7.006 -9.686 -10.199 79 HB ILE 11 HB ILE 11 5.477 -7.126 -10.676 80 HG12 ILE 11 2HG1 ILE 11 6.089 -8.355 -8.006 81 HG13 ILE 11 3HG1 ILE 11 7.287 -7.347 -8.811 82 HG21 ILE 11 1HG2 ILE 11 4.632 -9.807 -9.644 83 HG22 ILE 11 2HG2 ILE 11 3.802 -8.338 -9.134 84 HG23 ILE 11 3HG2 ILE 11 3.848 -8.777 -10.841 85 HD11 ILE 11 3HD1 ILE 11 5.761 -6.234 -7.116 86 HD12 ILE 11 1HD1 ILE 11 5.933 -5.448 -8.685 87 HD13 ILE 11 2HD1 ILE 11 4.489 -6.395 -8.326 88 H GLU 12 H GLU 12 6.153 -7.529 -12.907 89 HA GLU 12 HA GLU 12 4.463 -9.435 -14.170 90 HB2 GLU 12 2HB GLU 12 5.748 -6.881 -15.124 91 HB3 GLU 12 3HB GLU 12 4.727 -7.865 -16.163 92 HG2 GLU 12 2HG GLU 12 2.831 -7.509 -14.791 93 HG3 GLU 12 3HG GLU 12 3.810 -6.795 -13.511 94 H SER 13 H SER 13 7.867 -8.856 -14.192 95 HA SER 13 HA SER 13 8.312 -10.385 -16.620 96 HB2 SER 13 2HB SER 13 10.079 -8.870 -14.724 97 HB3 SER 13 3HB SER 13 10.783 -10.026 -15.854 98 HG SER 13 HG SER 13 9.703 -7.542 -16.317 99 H ALA 14 H ALA 14 7.403 -11.293 -13.701 100 HA ALA 14 HA ALA 14 8.945 -13.791 -13.820 101 HB1 ALA 14 1HB ALA 14 9.431 -13.822 -11.557 102 HB2 ALA 14 2HB ALA 14 9.673 -12.125 -11.976 103 HB3 ALA 14 3HB ALA 14 8.189 -12.631 -11.169 104 H LEU 15 H LEU 15 6.046 -12.505 -14.217 105 HA LEU 15 HA LEU 15 4.463 -14.320 -12.611 106 HB2 LEU 15 2HB LEU 15 3.949 -12.029 -14.401 107 HB3 LEU 15 3HB LEU 15 2.682 -13.252 -14.320 108 HG LEU 15 HG LEU 15 3.801 -11.791 -11.930 109 HD11 LEU 15 1HD1 LEU 15 2.497 -10.077 -12.444 110 HD12 LEU 15 2HD1 LEU 15 1.093 -11.144 -12.443 111 HD13 LEU 15 3HD1 LEU 15 2.000 -10.884 -13.932 112 HD21 LEU 15 3HD2 LEU 15 2.491 -14.179 -11.996 113 HD22 LEU 15 1HD2 LEU 15 1.156 -13.041 -11.812 114 HD23 LEU 15 2HD2 LEU 15 2.472 -13.051 -10.639 115 H SER 16 H SER 16 4.765 -13.708 -16.115 116 HA SER 16 HA SER 16 3.995 -16.512 -16.576 117 HB2 SER 16 2HB SER 16 2.445 -14.915 -17.581 118 HB3 SER 16 3HB SER 16 3.777 -14.120 -18.421 119 HG SER 16 HG SER 16 2.962 -15.499 -19.895 120 H SER 17 H SER 17 6.569 -14.338 -16.711 121 HA SER 17 HA SER 17 8.016 -15.053 -18.950 122 HB2 SER 17 2HB SER 17 8.495 -13.450 -16.808 123 HB3 SER 17 3HB SER 17 9.613 -14.774 -16.478 124 HG SER 17 HG SER 17 10.751 -13.449 -17.766 125 H CYS 18 H CYS 18 7.997 -16.632 -15.768 126 HA CYS 18 HA CYS 18 9.631 -18.809 -16.817 127 HB2 CYS 18 2HB CYS 18 9.719 -19.594 -14.493 128 HB3 CYS 18 3HB CYS 18 10.205 -17.908 -14.612 129 HG CYS 18 HG CYS 18 8.731 -18.282 -12.256 130 H GLN 19 H GLN 19 6.648 -18.191 -17.357 131 HA GLN 19 HA GLN 19 5.639 -20.879 -16.697 132 HB2 GLN 19 2HB GLN 19 4.010 -18.391 -17.233 133 HB3 GLN 19 3HB GLN 19 3.388 -19.966 -16.758 134 HG2 GLN 19 2HG GLN 19 5.250 -18.331 -15.057 135 HG3 GLN 19 3HG GLN 19 3.493 -18.263 -14.934 136 HE21 GLN 19 1HE2 GLN 19 2.674 -20.772 -15.077 137 HE22 GLN 19 2HE2 GLN 19 3.346 -21.737 -13.812 138 H ALA 20 H ALA 20 7.045 -19.366 -19.118 139 HA ALA 20 HA ALA 20 5.231 -19.779 -21.288 140 HB1 ALA 20 1HB ALA 20 6.906 -18.118 -21.566 141 HB2 ALA 20 2HB ALA 20 8.195 -19.263 -21.194 142 HB3 ALA 20 3HB ALA 20 7.281 -19.421 -22.694 143 H ALA 21 H ALA 21 4.642 -22.012 -20.696 144 HA ALA 21 HA ALA 21 4.656 -24.244 -21.139 145 HB1 ALA 21 1HB ALA 21 5.268 -24.751 -23.223 146 HB2 ALA 21 2HB ALA 21 5.783 -23.069 -23.359 147 HB3 ALA 21 3HB ALA 21 6.951 -24.317 -22.924 148 H ASP 22 H ASP 22 6.223 -23.197 -18.962 149 HA ASP 22 HA ASP 22 7.578 -24.049 -17.336 150 HB2 ASP 22 2HB ASP 22 6.712 -26.291 -18.575 151 HB3 ASP 22 3HB ASP 22 8.441 -26.419 -18.885 152 H SER 23 H SER 23 8.518 -22.324 -19.461 153 HA SER 23 HA SER 23 10.942 -22.968 -20.588 154 HB2 SER 23 2HB SER 23 9.791 -20.859 -21.049 155 HB3 SER 23 3HB SER 23 10.116 -20.303 -19.408 156 HG SER 23 HG SER 23 11.607 -19.822 -21.405 157 H PHE 24 H PHE 24 10.553 -21.245 -17.485 158 HA PHE 24 HA PHE 24 12.039 -20.929 -15.769 159 HB2 PHE 24 2HB PHE 24 11.093 -23.411 -15.691 160 HB3 PHE 24 3HB PHE 24 12.787 -23.811 -15.952 161 HD1 PHE 24 HD2 PHE 24 14.132 -21.707 -14.402 162 HD2 PHE 24 HD1 PHE 24 10.675 -24.019 -13.496 163 HE1 PHE 24 HE2 PHE 24 14.570 -21.415 -11.998 164 HE2 PHE 24 HE1 PHE 24 11.107 -23.731 -11.091 165 HZ PHE 24 HZ PHE 24 13.058 -22.428 -10.340 166 H ASN 25 H ASN 25 13.302 -19.971 -17.849 167 HA ASN 25 HA ASN 25 15.781 -21.309 -18.417 168 HB2 ASN 25 2HB ASN 25 16.311 -19.038 -19.514 169 HB3 ASN 25 3HB ASN 25 14.997 -19.991 -20.196 170 HD21 ASN 25 1HD2 ASN 25 15.883 -16.978 -19.296 171 HD22 ASN 25 2HD2 ASN 25 14.325 -16.279 -19.029 172 H TYR 26 H TYR 26 17.896 -20.294 -18.034 173 HA TYR 26 HA TYR 26 18.306 -19.759 -15.303 174 HB2 TYR 26 2HB TYR 26 20.639 -19.235 -15.977 175 HB3 TYR 26 3HB TYR 26 20.057 -20.755 -16.649 176 HD1 TYR 26 HD2 TYR 26 20.777 -17.216 -17.451 177 HD2 TYR 26 HD1 TYR 26 19.944 -21.093 -18.993 178 HE1 TYR 26 HE2 TYR 26 21.380 -16.442 -19.706 179 HE2 TYR 26 HE1 TYR 26 20.547 -20.330 -21.252 180 HH TYR 26 HH TYR 26 21.167 -18.611 -22.511 181 H LYS 27 H LYS 27 17.768 -17.682 -18.046 182 HA LYS 27 HA LYS 27 18.674 -15.270 -16.828 183 HB2 LYS 27 2HB LYS 27 17.578 -16.079 -19.357 184 HB3 LYS 27 3HB LYS 27 16.717 -14.659 -18.777 185 HG2 LYS 27 2HG LYS 27 19.697 -14.683 -18.713 186 HG3 LYS 27 3HG LYS 27 18.859 -14.409 -20.242 187 HD2 LYS 27 2HD LYS 27 18.869 -12.254 -19.597 188 HD3 LYS 27 3HD LYS 27 17.502 -12.733 -18.588 189 HE2 LYS 27 2HE LYS 27 18.729 -12.691 -16.668 190 HE3 LYS 27 3HE LYS 27 20.227 -13.133 -17.486 191 HZ1 LYS 27 3HZ LYS 27 20.446 -10.916 -18.313 192 HZ2 LYS 27 1HZ LYS 27 20.194 -10.826 -16.643 193 HZ3 LYS 27 2HZ LYS 27 18.930 -10.472 -17.709 194 H SER 28 H SER 28 15.543 -16.875 -17.110 195 HA SER 28 HA SER 28 13.925 -14.829 -16.110 196 HB2 SER 28 2HB SER 28 12.908 -16.750 -17.138 197 HB3 SER 28 3HB SER 28 13.626 -17.835 -15.948 198 HG SER 28 HG SER 28 11.299 -16.552 -15.820 199 H PHE 29 H PHE 29 15.632 -17.433 -14.412 200 HA PHE 29 HA PHE 29 14.692 -16.889 -11.835 201 HB2 PHE 29 2HB PHE 29 15.854 -18.949 -12.283 202 HB3 PHE 29 3HB PHE 29 17.309 -18.082 -12.763 203 HD1 PHE 29 HD1 PHE 29 18.671 -16.920 -11.063 204 HD2 PHE 29 HD2 PHE 29 15.370 -19.389 -10.004 205 HE1 PHE 29 HE1 PHE 29 19.506 -17.039 -8.752 206 HE2 PHE 29 HE2 PHE 29 16.199 -19.512 -7.691 207 HZ PHE 29 HZ PHE 29 18.269 -18.335 -7.062 208 H PHE 30 H PHE 30 17.016 -15.250 -13.793 209 HA PHE 30 HA PHE 30 18.258 -13.846 -11.599 210 HB2 PHE 30 2HB PHE 30 18.441 -13.343 -14.577 211 HB3 PHE 30 3HB PHE 30 19.476 -12.629 -13.345 212 HD1 PHE 30 HD1 PHE 30 19.670 -15.231 -11.683 213 HD2 PHE 30 HD2 PHE 30 20.223 -14.351 -15.810 214 HE1 PHE 30 HE1 PHE 30 21.216 -17.135 -11.878 215 HE2 PHE 30 HE2 PHE 30 21.769 -16.254 -16.013 216 HZ PHE 30 HZ PHE 30 22.267 -17.649 -14.045 217 H SER 31 H SER 31 15.808 -13.198 -14.043 218 HA SER 31 HA SER 31 15.447 -10.479 -13.037 219 HB2 SER 31 2HB SER 31 15.485 -11.105 -15.536 220 HB3 SER 31 3HB SER 31 13.866 -11.750 -15.266 221 HG SER 31 HG SER 31 14.045 -9.477 -15.973 222 H THR 32 H THR 32 14.703 -12.967 -11.546 223 HA THR 32 HA THR 32 11.970 -13.429 -11.494 224 HB THR 32 HB THR 32 12.612 -13.670 -8.849 225 HG1 THR 32 HG1 THR 32 14.816 -14.525 -8.937 226 HG21 THR 32 3HG2 THR 32 12.027 -15.733 -9.449 227 HG22 THR 32 1HG2 THR 32 13.645 -15.974 -10.107 228 HG23 THR 32 2HG2 THR 32 12.353 -15.366 -11.143 229 H VAL 33 H VAL 33 10.405 -12.775 -9.804 230 HA VAL 33 HA VAL 33 9.966 -10.020 -9.805 231 HB VAL 33 HB VAL 33 8.119 -11.518 -9.467 232 HG11 VAL 33 1HG1 VAL 33 7.872 -12.753 -7.307 233 HG12 VAL 33 2HG1 VAL 33 9.172 -13.345 -8.343 234 HG13 VAL 33 3HG1 VAL 33 9.547 -12.338 -6.944 235 HG21 VAL 33 3HG2 VAL 33 8.300 -9.200 -8.261 236 HG22 VAL 33 1HG2 VAL 33 6.945 -10.278 -7.925 237 HG23 VAL 33 2HG2 VAL 33 8.300 -10.189 -6.801 238 H GLY 34 H GLY 34 11.692 -12.057 -7.547 239 HA2 GLY 34 2HA GLY 34 13.437 -11.114 -6.190 240 HA3 GLY 34 3HA GLY 34 12.503 -9.629 -6.093 241 H LEU 35 H LEU 35 9.997 -11.070 -5.549 242 HA LEU 35 HA LEU 35 9.963 -10.957 -2.786 243 HB2 LEU 35 2HB LEU 35 8.117 -11.399 -4.769 244 HB3 LEU 35 3HB LEU 35 8.110 -12.926 -3.889 245 HG LEU 35 HG LEU 35 7.414 -10.185 -2.859 246 HD11 LEU 35 1HD1 LEU 35 5.431 -11.799 -2.090 247 HD12 LEU 35 2HD1 LEU 35 5.957 -12.669 -3.531 248 HD13 LEU 35 3HD1 LEU 35 5.451 -10.984 -3.653 249 HD21 LEU 35 3HD2 LEU 35 6.960 -11.708 -0.730 250 HD22 LEU 35 1HD2 LEU 35 8.503 -10.896 -0.994 251 HD23 LEU 35 2HD2 LEU 35 8.324 -12.603 -1.402 252 H SER 36 H SER 36 10.334 -13.812 -4.867 253 HA SER 36 HA SER 36 10.509 -15.687 -2.761 254 HB2 SER 36 2HB SER 36 11.309 -17.244 -4.442 255 HB3 SER 36 3HB SER 36 10.012 -16.270 -5.134 256 HG SER 36 HG SER 36 11.398 -15.788 -6.627 257 H SER 37 H SER 37 12.683 -13.336 -3.869 258 HA SER 37 HA SER 37 14.834 -14.555 -2.278 259 HB2 SER 37 2HB SER 37 16.504 -13.875 -3.882 260 HB3 SER 37 3HB SER 37 15.278 -14.814 -4.733 261 HG SER 37 HG SER 37 15.635 -13.018 -5.956 262 H LYS 38 H LYS 38 13.059 -12.740 -1.242 263 HA LYS 38 HA LYS 38 14.409 -10.141 -1.312 264 HB2 LYS 38 2HB LYS 38 11.680 -11.062 -0.740 265 HB3 LYS 38 3HB LYS 38 12.268 -9.838 0.378 266 HG2 LYS 38 2HG LYS 38 12.413 -9.501 -2.602 267 HG3 LYS 38 3HG LYS 38 11.008 -9.014 -1.652 268 HD2 LYS 38 2HD LYS 38 13.624 -8.076 -0.660 269 HD3 LYS 38 3HD LYS 38 13.090 -7.388 -2.196 270 HE2 LYS 38 2HE LYS 38 10.882 -6.904 -1.043 271 HE3 LYS 38 3HE LYS 38 11.697 -7.300 0.469 272 HZ1 LYS 38 3HZ LYS 38 12.322 -5.089 -1.401 273 HZ2 LYS 38 1HZ LYS 38 13.375 -5.566 -0.166 274 HZ3 LYS 38 2HZ LYS 38 11.836 -4.977 0.216 275 H THR 39 H THR 39 12.656 -11.498 1.420 276 HA THR 39 HA THR 39 14.778 -12.344 2.999 277 HB THR 39 HB THR 39 14.924 -9.584 2.692 278 HG1 THR 39 HG1 THR 39 16.325 -9.948 4.701 279 HG21 THR 39 3HG2 THR 39 14.368 -8.607 4.803 280 HG22 THR 39 1HG2 THR 39 13.926 -10.175 5.477 281 HG23 THR 39 2HG2 THR 39 12.932 -9.446 4.215 282 HA PRO 40 HA PRO 40 11.406 -13.515 5.557 283 HB2 PRO 40 2HB PRO 40 12.660 -13.842 7.943 284 HB3 PRO 40 3HB PRO 40 12.856 -14.965 6.592 285 HG2 PRO 40 2HG PRO 40 14.652 -12.742 7.482 286 HG3 PRO 40 3HG PRO 40 15.077 -14.382 6.960 287 HD2 PRO 40 2HD PRO 40 15.292 -12.232 5.328 288 HD3 PRO 40 3HD PRO 40 14.893 -13.854 4.724 289 H ASP 41 H ASP 41 10.738 -11.111 5.211 290 HA ASP 41 HA ASP 41 9.746 -10.126 7.637 291 HB2 ASP 41 2HB ASP 41 12.345 -9.474 7.536 292 HB3 ASP 41 3HB ASP 41 11.687 -8.118 6.624 293 H GLN 42 H GLN 42 10.838 -9.179 4.401 294 HA GLN 42 HA GLN 42 8.724 -7.248 4.091 295 HB2 GLN 42 2HB GLN 42 10.383 -8.339 1.838 296 HB3 GLN 42 3HB GLN 42 9.674 -6.739 2.009 297 HG2 GLN 42 2HG GLN 42 12.039 -7.853 3.494 298 HG3 GLN 42 3HG GLN 42 12.036 -6.563 2.292 299 HE21 GLN 42 1HE2 GLN 42 11.633 -4.518 2.915 300 HE22 GLN 42 2HE2 GLN 42 11.290 -4.041 4.539 301 H ILE 43 H ILE 43 9.290 -10.585 3.240 302 HA ILE 43 HA ILE 43 7.410 -10.982 1.248 303 HB ILE 43 HB ILE 43 8.094 -12.897 3.482 304 HG12 ILE 43 2HG1 ILE 43 9.320 -12.567 0.735 305 HG13 ILE 43 3HG1 ILE 43 10.075 -12.096 2.254 306 HG21 ILE 43 1HG2 ILE 43 7.520 -14.167 0.997 307 HG22 ILE 43 2HG2 ILE 43 6.692 -14.336 2.544 308 HG23 ILE 43 3HG2 ILE 43 6.188 -13.086 1.406 309 HD11 ILE 43 3HD1 ILE 43 10.833 -14.275 1.244 310 HD12 ILE 43 1HD1 ILE 43 10.328 -14.333 2.933 311 HD13 ILE 43 2HD1 ILE 43 9.247 -14.919 1.668 312 H LYS 44 H LYS 44 6.932 -11.384 4.760 313 HA LYS 44 HA LYS 44 4.233 -12.000 4.732 314 HB2 LYS 44 2HB LYS 44 4.230 -10.914 7.052 315 HB3 LYS 44 3HB LYS 44 5.342 -12.250 6.787 316 HG2 LYS 44 2HG LYS 44 7.189 -10.729 6.535 317 HG3 LYS 44 3HG LYS 44 6.103 -9.341 6.633 318 HD2 LYS 44 2HD LYS 44 6.001 -11.266 8.878 319 HD3 LYS 44 3HD LYS 44 7.467 -10.292 8.738 320 HE2 LYS 44 2HE LYS 44 6.230 -8.859 9.991 321 HE3 LYS 44 3HE LYS 44 5.666 -8.360 8.397 322 HZ1 LYS 44 3HZ LYS 44 3.949 -8.862 10.222 323 HZ2 LYS 44 1HZ LYS 44 4.261 -10.488 9.874 324 HZ3 LYS 44 2HZ LYS 44 3.671 -9.463 8.665 325 H LYS 45 H LYS 45 5.788 -8.817 4.806 326 HA LYS 45 HA LYS 45 3.459 -7.273 5.054 327 HB2 LYS 45 2HB LYS 45 6.261 -6.802 4.248 328 HB3 LYS 45 3HB LYS 45 5.096 -5.638 3.632 329 HG2 LYS 45 2HG LYS 45 4.287 -5.487 6.073 330 HG3 LYS 45 3HG LYS 45 5.830 -6.249 6.466 331 HD2 LYS 45 2HD LYS 45 5.541 -3.725 4.840 332 HD3 LYS 45 3HD LYS 45 5.876 -3.761 6.572 333 HE2 LYS 45 2HE LYS 45 7.977 -4.789 6.240 334 HE3 LYS 45 3HE LYS 45 7.604 -5.183 4.563 335 HZ1 LYS 45 3HZ LYS 45 8.656 -3.314 4.043 336 HZ2 LYS 45 1HZ LYS 45 8.721 -2.796 5.652 337 HZ3 LYS 45 2HZ LYS 45 7.357 -2.461 4.711 338 H VAL 46 H VAL 46 4.746 -9.022 2.390 339 HA VAL 46 HA VAL 46 3.250 -7.530 0.398 340 HB VAL 46 HB VAL 46 4.883 -10.057 0.119 341 HG11 VAL 46 1HG1 VAL 46 3.482 -8.322 -1.894 342 HG12 VAL 46 2HG1 VAL 46 4.821 -9.383 -2.334 343 HG13 VAL 46 3HG1 VAL 46 3.340 -10.063 -1.657 344 HG21 VAL 46 3HG2 VAL 46 5.945 -7.731 0.734 345 HG22 VAL 46 1HG2 VAL 46 6.694 -8.778 -0.471 346 HG23 VAL 46 2HG2 VAL 46 5.703 -7.412 -0.983 347 H PHE 47 H PHE 47 2.838 -10.284 2.413 348 HA PHE 47 HA PHE 47 0.820 -11.542 0.788 349 HB2 PHE 47 2HB PHE 47 1.675 -13.210 2.056 350 HB3 PHE 47 3HB PHE 47 2.190 -12.109 3.330 351 HD1 PHE 47 HD2 PHE 47 -0.744 -13.901 1.959 352 HD2 PHE 47 HD1 PHE 47 0.948 -11.878 5.300 353 HE1 PHE 47 HE2 PHE 47 -2.621 -14.653 3.360 354 HE2 PHE 47 HE1 PHE 47 -0.926 -12.628 6.707 355 HZ PHE 47 HZ PHE 47 -2.714 -14.016 5.737 356 H GLY 48 H GLY 48 0.935 -9.138 3.277 357 HA2 GLY 48 2HA GLY 48 -1.705 -9.332 4.245 358 HA3 GLY 48 3HA GLY 48 -0.697 -7.894 4.306 359 H ILE 49 H ILE 49 -0.467 -8.124 1.267 360 HA ILE 49 HA ILE 49 -2.675 -6.380 0.697 361 HB ILE 49 HB ILE 49 -0.754 -7.541 -1.314 362 HG12 ILE 49 2HG1 ILE 49 -0.401 -5.029 0.334 363 HG13 ILE 49 3HG1 ILE 49 0.467 -6.535 0.607 364 HG21 ILE 49 1HG2 ILE 49 -1.865 -4.790 -1.453 365 HG22 ILE 49 2HG2 ILE 49 -1.447 -5.909 -2.749 366 HG23 ILE 49 3HG2 ILE 49 -2.936 -6.140 -1.832 367 HD11 ILE 49 3HD1 ILE 49 0.614 -5.386 -2.109 368 HD12 ILE 49 1HD1 ILE 49 1.460 -4.526 -0.823 369 HD13 ILE 49 2HD1 ILE 49 1.843 -6.216 -1.155 370 H LEU 50 H LEU 50 -1.831 -9.717 0.009 371 HA LEU 50 HA LEU 50 -3.706 -10.273 -1.983 372 HB2 LEU 50 2HB LEU 50 -3.072 -12.300 0.112 373 HB3 LEU 50 3HB LEU 50 -3.246 -12.506 -1.630 374 HG LEU 50 HG LEU 50 -0.887 -11.338 -0.160 375 HD11 LEU 50 1HD1 LEU 50 -1.365 -13.880 -1.687 376 HD12 LEU 50 2HD1 LEU 50 -0.800 -13.683 -0.029 377 HD13 LEU 50 3HD1 LEU 50 0.254 -13.253 -1.375 378 HD21 LEU 50 3HD2 LEU 50 -0.043 -11.564 -2.697 379 HD22 LEU 50 1HD2 LEU 50 -0.709 -10.075 -2.025 380 HD23 LEU 50 2HD2 LEU 50 -1.733 -11.145 -2.983 381 H ASP 51 H ASP 51 -3.994 -10.876 1.522 382 HA ASP 51 HA ASP 51 -6.591 -11.774 1.604 383 HB2 ASP 51 2HB ASP 51 -6.654 -11.050 3.923 384 HB3 ASP 51 3HB ASP 51 -5.061 -11.702 3.551 385 H GLN 52 H GLN 52 -8.505 -10.563 2.546 386 HA GLN 52 HA GLN 52 -8.687 -7.825 1.506 387 HB2 GLN 52 2HB GLN 52 -11.155 -8.653 0.905 388 HB3 GLN 52 3HB GLN 52 -9.821 -8.756 -0.236 389 HG2 GLN 52 2HG GLN 52 -9.720 -11.009 -0.134 390 HG3 GLN 52 3HG GLN 52 -10.201 -11.066 1.561 391 HE21 GLN 52 1HE2 GLN 52 -11.636 -9.904 -1.475 392 HE22 GLN 52 2HE2 GLN 52 -13.156 -10.696 -1.256 393 H ASP 53 H ASP 53 -10.637 -10.286 3.204 394 HA ASP 53 HA ASP 53 -11.863 -8.252 4.854 395 HB2 ASP 53 2HB ASP 53 -12.883 -10.504 3.924 396 HB3 ASP 53 3HB ASP 53 -12.187 -11.173 5.397 397 H LYS 54 H LYS 54 -9.224 -10.469 5.055 398 HA LYS 54 HA LYS 54 -7.678 -10.906 6.665 399 HB2 LYS 54 2HB LYS 54 -8.700 -8.266 7.722 400 HB3 LYS 54 3HB LYS 54 -7.285 -9.096 8.354 401 HG2 LYS 54 2HG LYS 54 -7.260 -8.691 5.453 402 HG3 LYS 54 3HG LYS 54 -7.240 -7.207 6.409 403 HD2 LYS 54 2HD LYS 54 -5.357 -9.522 6.845 404 HD3 LYS 54 3HD LYS 54 -4.977 -8.114 5.851 405 HE2 LYS 54 2HE LYS 54 -5.966 -7.555 8.575 406 HE3 LYS 54 3HE LYS 54 -4.375 -8.308 8.469 407 HZ1 LYS 54 3HZ LYS 54 -3.621 -6.528 7.072 408 HZ2 LYS 54 1HZ LYS 54 -4.294 -5.864 8.475 409 HZ3 LYS 54 2HZ LYS 54 -5.164 -5.837 7.025 410 H SER 55 H SER 55 -9.582 -12.554 7.071 411 HA SER 55 HA SER 55 -10.739 -12.235 9.728 412 HB2 SER 55 2HB SER 55 -11.097 -14.707 8.077 413 HB3 SER 55 3HB SER 55 -12.232 -13.920 9.173 414 HG SER 55 HG SER 55 -11.969 -12.135 7.433 415 H GLY 56 H GLY 56 -7.801 -12.806 9.026 416 HA2 GLY 56 2HA GLY 56 -6.388 -13.741 10.783 417 HA3 GLY 56 3HA GLY 56 -7.521 -15.080 10.890 418 H PHE 57 H PHE 57 -7.815 -15.436 8.047 419 HA PHE 57 HA PHE 57 -5.165 -16.014 7.032 420 HB2 PHE 57 2HB PHE 57 -7.128 -18.221 7.680 421 HB3 PHE 57 3HB PHE 57 -5.695 -18.433 6.679 422 HD1 PHE 57 HD1 PHE 57 -3.475 -18.388 7.657 423 HD2 PHE 57 HD2 PHE 57 -6.958 -17.962 10.066 424 HE1 PHE 57 HE1 PHE 57 -2.133 -18.837 9.670 425 HE2 PHE 57 HE2 PHE 57 -5.622 -18.409 12.082 426 HZ PHE 57 HZ PHE 57 -3.206 -18.846 11.887 427 H ILE 58 H ILE 58 -5.385 -17.209 4.848 428 HA ILE 58 HA ILE 58 -7.691 -16.058 3.418 429 HB ILE 58 HB ILE 58 -4.829 -16.408 2.571 430 HG12 ILE 58 2HG1 ILE 58 -6.719 -14.056 2.357 431 HG13 ILE 58 3HG1 ILE 58 -5.585 -14.299 3.681 432 HG21 ILE 58 1HG2 ILE 58 -6.008 -17.341 0.743 433 HG22 ILE 58 2HG2 ILE 58 -7.251 -16.092 0.816 434 HG23 ILE 58 3HG2 ILE 58 -5.620 -15.682 0.287 435 HD11 ILE 58 3HD1 ILE 58 -4.018 -14.509 1.415 436 HD12 ILE 58 1HD1 ILE 58 -5.148 -13.207 1.043 437 HD13 ILE 58 2HD1 ILE 58 -4.141 -13.115 2.489 438 H GLU 59 H GLU 59 -9.111 -17.660 3.099 439 HA GLU 59 HA GLU 59 -8.293 -20.383 2.686 440 HB2 GLU 59 2HB GLU 59 -11.057 -19.275 2.232 441 HB3 GLU 59 3HB GLU 59 -10.604 -20.919 2.657 442 HG2 GLU 59 2HG GLU 59 -11.136 -20.341 4.737 443 HG3 GLU 59 3HG GLU 59 -9.593 -19.489 4.751 444 H GLU 60 H GLU 60 -9.425 -21.595 0.798 445 HA GLU 60 HA GLU 60 -8.207 -20.878 -1.581 446 HB2 GLU 60 2HB GLU 60 -9.280 -23.118 -0.877 447 HB3 GLU 60 3HB GLU 60 -10.772 -22.448 -1.521 448 HG2 GLU 60 2HG GLU 60 -8.447 -22.262 -3.305 449 HG3 GLU 60 3HG GLU 60 -9.003 -23.897 -2.952 450 H GLU 61 H GLU 61 -11.181 -19.763 -0.218 451 HA GLU 61 HA GLU 61 -12.454 -18.858 -2.565 452 HB2 GLU 61 2HB GLU 61 -12.656 -17.891 0.290 453 HB3 GLU 61 3HB GLU 61 -13.711 -17.349 -1.008 454 HG2 GLU 61 2HG GLU 61 -14.484 -19.649 -1.331 455 HG3 GLU 61 3HG GLU 61 -13.443 -20.176 -0.010 456 H GLU 62 H GLU 62 -10.308 -17.212 -0.262 457 HA GLU 62 HA GLU 62 -10.233 -14.847 -1.959 458 HB2 GLU 62 2HB GLU 62 -9.364 -15.505 0.811 459 HB3 GLU 62 3HB GLU 62 -8.504 -14.223 -0.029 460 HG2 GLU 62 2HG GLU 62 -10.201 -13.163 1.193 461 HG3 GLU 62 3HG GLU 62 -10.755 -13.177 -0.480 462 H LEU 63 H LEU 63 -8.670 -17.754 -1.853 463 HA LEU 63 HA LEU 63 -5.994 -16.846 -2.409 464 HB2 LEU 63 2HB LEU 63 -6.863 -19.111 -1.386 465 HB3 LEU 63 3HB LEU 63 -6.928 -19.594 -3.080 466 HG LEU 63 HG LEU 63 -4.510 -19.053 -3.270 467 HD11 LEU 63 1HD1 LEU 63 -4.973 -17.889 -0.711 468 HD12 LEU 63 2HD1 LEU 63 -3.510 -17.860 -1.695 469 HD13 LEU 63 3HD1 LEU 63 -3.775 -19.172 -0.547 470 HD21 LEU 63 3HD2 LEU 63 -4.034 -21.175 -2.756 471 HD22 LEU 63 1HD2 LEU 63 -5.723 -21.298 -2.261 472 HD23 LEU 63 2HD2 LEU 63 -4.475 -20.958 -1.061 473 H GLN 64 H GLN 64 -8.842 -17.622 -4.229 474 HA GLN 64 HA GLN 64 -7.594 -18.068 -6.738 475 HB2 GLN 64 2HB GLN 64 -9.766 -17.998 -7.671 476 HB3 GLN 64 3HB GLN 64 -9.960 -18.702 -6.072 477 HG2 GLN 64 2HG GLN 64 -10.738 -16.572 -5.205 478 HG3 GLN 64 3HG GLN 64 -10.495 -15.827 -6.784 479 HE21 GLN 64 1HE2 GLN 64 -12.916 -16.156 -5.133 480 HE22 GLN 64 2HE2 GLN 64 -14.060 -16.959 -6.149 481 H LEU 65 H LEU 65 -7.699 -15.340 -4.888 482 HA LEU 65 HA LEU 65 -7.790 -13.513 -7.183 483 HB2 LEU 65 2HB LEU 65 -7.585 -12.634 -4.332 484 HB3 LEU 65 3HB LEU 65 -8.264 -11.777 -5.714 485 HG LEU 65 HG LEU 65 -9.555 -14.210 -4.497 486 HD11 LEU 65 1HD1 LEU 65 -10.669 -12.965 -2.975 487 HD12 LEU 65 2HD1 LEU 65 -10.665 -11.521 -3.986 488 HD13 LEU 65 3HD1 LEU 65 -9.220 -11.966 -3.079 489 HD21 LEU 65 3HD2 LEU 65 -11.091 -12.125 -5.904 490 HD22 LEU 65 1HD2 LEU 65 -11.250 -13.881 -5.947 491 HD23 LEU 65 2HD2 LEU 65 -9.999 -13.086 -6.903 492 H PHE 66 H PHE 66 -5.542 -15.357 -6.215 493 HA PHE 66 HA PHE 66 -3.440 -13.721 -5.263 494 HB2 PHE 66 2HB PHE 66 -3.337 -16.131 -5.013 495 HB3 PHE 66 3HB PHE 66 -3.371 -16.348 -6.760 496 HD1 PHE 66 HD1 PHE 66 -1.343 -15.097 -3.943 497 HD2 PHE 66 HD2 PHE 66 -1.400 -16.217 -8.048 498 HE1 PHE 66 HE1 PHE 66 1.116 -15.025 -3.993 499 HE2 PHE 66 HE2 PHE 66 1.058 -16.148 -8.105 500 HZ PHE 66 HZ PHE 66 2.320 -15.552 -6.076 501 H LEU 67 H LEU 67 -4.740 -14.316 -8.422 502 HA LEU 67 HA LEU 67 -2.452 -13.249 -9.823 503 HB2 LEU 67 2HB LEU 67 -5.115 -14.333 -10.577 504 HB3 LEU 67 3HB LEU 67 -4.297 -13.271 -11.723 505 HG LEU 67 HG LEU 67 -3.097 -15.803 -10.607 506 HD11 LEU 67 1HD1 LEU 67 -5.224 -15.723 -12.295 507 HD12 LEU 67 2HD1 LEU 67 -4.022 -17.013 -12.251 508 HD13 LEU 67 3HD1 LEU 67 -3.875 -15.710 -13.431 509 HD21 LEU 67 3HD2 LEU 67 -1.752 -15.385 -12.835 510 HD22 LEU 67 1HD2 LEU 67 -1.287 -14.606 -11.323 511 HD23 LEU 67 2HD2 LEU 67 -2.213 -13.710 -12.527 512 H LYS 68 H LYS 68 -4.717 -11.843 -7.961 513 HA LYS 68 HA LYS 68 -5.289 -9.553 -9.651 514 HB2 LYS 68 2HB LYS 68 -5.924 -9.911 -6.720 515 HB3 LYS 68 3HB LYS 68 -6.648 -8.757 -7.832 516 HG2 LYS 68 2HG LYS 68 -6.926 -11.751 -8.003 517 HG3 LYS 68 3HG LYS 68 -8.133 -10.641 -7.348 518 HD2 LYS 68 2HD LYS 68 -7.227 -9.878 -10.007 519 HD3 LYS 68 3HD LYS 68 -7.949 -11.489 -9.969 520 HE2 LYS 68 2HE LYS 68 -9.202 -8.936 -8.963 521 HE3 LYS 68 3HE LYS 68 -9.640 -9.807 -10.432 522 HZ1 LYS 68 3HZ LYS 68 -11.068 -10.965 -9.222 523 HZ2 LYS 68 1HZ LYS 68 -10.544 -10.228 -7.792 524 HZ3 LYS 68 2HZ LYS 68 -9.781 -11.631 -8.349 525 H ASN 69 H ASN 69 -3.439 -10.272 -6.712 526 HA ASN 69 HA ASN 69 -2.459 -7.612 -6.401 527 HB2 ASN 69 2HB ASN 69 -1.267 -10.151 -5.273 528 HB3 ASN 69 3HB ASN 69 -1.056 -8.513 -4.661 529 HD21 ASN 69 1HD2 ASN 69 -2.667 -7.568 -3.459 530 HD22 ASN 69 2HD2 ASN 69 -4.016 -8.453 -2.841 531 H PHE 70 H PHE 70 -1.736 -10.037 -8.588 532 HA PHE 70 HA PHE 70 0.978 -8.985 -9.036 533 HB2 PHE 70 2HB PHE 70 -0.248 -11.665 -9.683 534 HB3 PHE 70 3HB PHE 70 1.271 -11.126 -10.392 535 HD1 PHE 70 HD2 PHE 70 -0.373 -11.570 -7.079 536 HD2 PHE 70 HD1 PHE 70 3.248 -11.614 -9.316 537 HE1 PHE 70 HE2 PHE 70 0.836 -12.392 -5.100 538 HE2 PHE 70 HE1 PHE 70 4.462 -12.437 -7.341 539 HZ PHE 70 HZ PHE 70 3.256 -12.826 -5.229 540 H SER 71 H SER 71 -1.841 -10.252 -10.811 541 HA SER 71 HA SER 71 -1.135 -8.447 -13.031 542 HB2 SER 71 2HB SER 71 -1.758 -10.037 -14.562 543 HB3 SER 71 3HB SER 71 -1.266 -11.108 -13.250 544 HG SER 71 HG SER 71 -3.374 -11.435 -12.721 545 H SER 72 H SER 72 -3.026 -7.702 -14.331 546 HA SER 72 HA SER 72 -5.341 -7.184 -12.581 547 HB2 SER 72 2HB SER 72 -3.871 -5.191 -13.041 548 HB3 SER 72 3HB SER 72 -4.302 -5.344 -14.745 549 HG SER 72 HG SER 72 -5.813 -3.993 -14.039 550 H SER 73 H SER 73 -4.485 -9.002 -15.070 551 HA SER 73 HA SER 73 -6.921 -8.520 -16.644 552 HB2 SER 73 2HB SER 73 -4.570 -8.630 -17.724 553 HB3 SER 73 3HB SER 73 -4.692 -10.370 -17.466 554 HG SER 73 HG SER 73 -5.667 -10.263 -19.342 555 H ALA 74 H ALA 74 -5.116 -11.002 -14.907 556 HA ALA 74 HA ALA 74 -6.936 -13.120 -15.473 557 HB1 ALA 74 1HB ALA 74 -4.871 -13.932 -14.894 558 HB2 ALA 74 2HB ALA 74 -4.638 -12.742 -13.614 559 HB3 ALA 74 3HB ALA 74 -5.730 -14.104 -13.364 560 H ARG 75 H ARG 75 -9.010 -12.874 -14.876 561 HA ARG 75 HA ARG 75 -10.045 -11.384 -12.808 562 HB2 ARG 75 2HB ARG 75 -12.012 -12.975 -12.913 563 HB3 ARG 75 3HB ARG 75 -11.541 -12.237 -14.438 564 HG2 ARG 75 2HG ARG 75 -10.236 -14.340 -14.916 565 HG3 ARG 75 3HG ARG 75 -11.038 -15.050 -13.514 566 HD2 ARG 75 2HD ARG 75 -12.373 -13.939 -15.979 567 HD3 ARG 75 3HD ARG 75 -12.218 -15.641 -15.549 568 HE ARG 75 HE ARG 75 -13.539 -14.184 -13.502 569 HH11 ARG 75 1HH1 ARG 75 -14.012 -15.575 -16.658 570 HH12 ARG 75 2HH1 ARG 75 -15.716 -15.807 -16.444 571 HH21 ARG 75 1HH2 ARG 75 -15.781 -14.484 -13.208 572 HH22 ARG 75 2HH2 ARG 75 -16.721 -15.185 -14.482 573 H VAL 76 H VAL 76 -9.262 -14.859 -12.745 574 HA VAL 76 HA VAL 76 -8.491 -14.709 -9.981 575 HB VAL 76 HB VAL 76 -10.149 -16.633 -9.412 576 HG11 VAL 76 1HG1 VAL 76 -10.032 -14.210 -8.547 577 HG12 VAL 76 2HG1 VAL 76 -11.403 -13.919 -9.619 578 HG13 VAL 76 3HG1 VAL 76 -11.533 -15.109 -8.324 579 HG21 VAL 76 3HG2 VAL 76 -11.657 -15.228 -11.617 580 HG22 VAL 76 1HG2 VAL 76 -11.039 -16.879 -11.680 581 HG23 VAL 76 2HG2 VAL 76 -12.309 -16.456 -10.532 582 H LEU 77 H LEU 77 -8.087 -17.060 -9.148 583 HA LEU 77 HA LEU 77 -6.257 -18.261 -10.965 584 HB2 LEU 77 2HB LEU 77 -7.310 -19.247 -8.318 585 HB3 LEU 77 3HB LEU 77 -5.948 -19.943 -9.192 586 HG LEU 77 HG LEU 77 -6.111 -17.298 -7.777 587 HD11 LEU 77 1HD1 LEU 77 -3.903 -18.251 -6.879 588 HD12 LEU 77 2HD1 LEU 77 -4.463 -19.789 -7.535 589 HD13 LEU 77 3HD1 LEU 77 -5.412 -18.959 -6.303 590 HD21 LEU 77 3HD2 LEU 77 -4.128 -18.192 -9.857 591 HD22 LEU 77 1HD2 LEU 77 -3.795 -16.917 -8.686 592 HD23 LEU 77 2HD2 LEU 77 -5.107 -16.725 -9.848 593 H THR 78 H THR 78 -6.282 -20.635 -11.436 594 HA THR 78 HA THR 78 -9.018 -21.522 -12.089 595 HB THR 78 HB THR 78 -7.589 -20.867 -14.066 596 HG1 THR 78 HG1 THR 78 -8.012 -23.132 -15.040 597 HG21 THR 78 3HG2 THR 78 -5.546 -22.059 -12.902 598 HG22 THR 78 1HG2 THR 78 -5.692 -22.024 -14.659 599 HG23 THR 78 2HG2 THR 78 -6.163 -23.469 -13.763 600 H SER 79 H SER 79 -8.594 -24.056 -12.891 601 HA SER 79 HA SER 79 -8.116 -25.407 -10.407 602 HB2 SER 79 2HB SER 79 -8.743 -26.478 -13.168 603 HB3 SER 79 3HB SER 79 -8.683 -27.457 -11.703 604 HG SER 79 HG SER 79 -10.548 -26.662 -11.083 605 H ALA 80 H ALA 80 -5.796 -24.381 -10.611 606 HA ALA 80 HA ALA 80 -3.974 -26.497 -10.804 607 HB1 ALA 80 1HB ALA 80 -2.949 -24.831 -12.884 608 HB2 ALA 80 2HB ALA 80 -3.324 -26.554 -12.923 609 HB3 ALA 80 3HB ALA 80 -4.571 -25.371 -13.317 610 H GLU 81 H GLU 81 -4.457 -23.013 -11.024 611 HA GLU 81 HA GLU 81 -1.853 -22.400 -9.956 612 HB2 GLU 81 2HB GLU 81 -4.268 -20.629 -10.370 613 HB3 GLU 81 3HB GLU 81 -2.656 -20.069 -9.949 614 HG2 GLU 81 2HG GLU 81 -1.862 -21.153 -12.087 615 HG3 GLU 81 3HG GLU 81 -3.562 -21.341 -12.511 616 H THR 82 H THR 82 -5.198 -22.154 -8.769 617 HA THR 82 HA THR 82 -4.557 -21.244 -6.188 618 HB THR 82 HB THR 82 -6.934 -22.961 -6.333 619 HG1 THR 82 HG1 THR 82 -8.010 -21.640 -7.827 620 HG21 THR 82 3HG2 THR 82 -7.204 -20.063 -5.952 621 HG22 THR 82 1HG2 THR 82 -6.104 -20.849 -4.820 622 HG23 THR 82 2HG2 THR 82 -7.776 -21.396 -4.949 623 H LYS 83 H LYS 83 -4.858 -24.486 -7.533 624 HA LYS 83 HA LYS 83 -4.649 -25.840 -5.030 625 HB2 LYS 83 2HB LYS 83 -4.079 -26.894 -7.806 626 HB3 LYS 83 3HB LYS 83 -4.373 -27.860 -6.365 627 HG2 LYS 83 2HG LYS 83 -6.435 -25.914 -7.302 628 HG3 LYS 83 3HG LYS 83 -6.278 -27.490 -8.082 629 HD2 LYS 83 2HD LYS 83 -6.648 -28.616 -5.981 630 HD3 LYS 83 3HD LYS 83 -6.650 -27.078 -5.115 631 HE2 LYS 83 2HE LYS 83 -8.649 -26.393 -6.362 632 HE3 LYS 83 3HE LYS 83 -8.649 -27.942 -7.204 633 HZ1 LYS 83 3HZ LYS 83 -10.045 -27.479 -4.995 634 HZ2 LYS 83 1HZ LYS 83 -8.620 -28.072 -4.302 635 HZ3 LYS 83 2HZ LYS 83 -9.472 -29.012 -5.420 636 H ALA 84 H ALA 84 -2.353 -25.170 -7.659 637 HA ALA 84 HA ALA 84 -0.139 -26.417 -6.399 638 HB1 ALA 84 1HB ALA 84 0.059 -24.213 -8.431 639 HB2 ALA 84 2HB ALA 84 1.173 -25.551 -8.148 640 HB3 ALA 84 3HB ALA 84 -0.409 -25.858 -8.864 641 H PHE 85 H PHE 85 -1.784 -23.596 -5.665 642 HA PHE 85 HA PHE 85 0.579 -22.325 -4.470 643 HB2 PHE 85 2HB PHE 85 -0.914 -20.966 -5.965 644 HB3 PHE 85 3HB PHE 85 -2.196 -21.165 -4.775 645 HD1 PHE 85 HD1 PHE 85 1.211 -19.799 -5.265 646 HD2 PHE 85 HD2 PHE 85 -2.337 -19.757 -2.914 647 HE1 PHE 85 HE1 PHE 85 2.046 -17.832 -4.047 648 HE2 PHE 85 HE2 PHE 85 -1.508 -17.789 -1.692 649 HZ PHE 85 HZ PHE 85 0.686 -16.823 -2.258 650 H LEU 86 H LEU 86 -2.752 -23.283 -3.691 651 HA LEU 86 HA LEU 86 -2.586 -22.684 -0.934 652 HB2 LEU 86 2HB LEU 86 -4.629 -23.196 -2.501 653 HB3 LEU 86 3HB LEU 86 -4.361 -24.851 -1.957 654 HG LEU 86 HG LEU 86 -4.695 -22.637 0.032 655 HD11 LEU 86 1HD1 LEU 86 -7.146 -24.031 -0.342 656 HD12 LEU 86 2HD1 LEU 86 -6.641 -23.353 -1.890 657 HD13 LEU 86 3HD1 LEU 86 -6.821 -22.303 -0.485 658 HD21 LEU 86 3HD2 LEU 86 -4.875 -24.292 1.540 659 HD22 LEU 86 1HD2 LEU 86 -4.071 -25.263 0.307 660 HD23 LEU 86 2HD2 LEU 86 -5.827 -25.312 0.460 661 H ALA 87 H ALA 87 -2.432 -25.814 -2.637 662 HA ALA 87 HA ALA 87 -1.761 -27.323 -0.347 663 HB1 ALA 87 1HB ALA 87 -1.062 -29.062 -2.004 664 HB2 ALA 87 2HB ALA 87 -2.698 -28.443 -2.232 665 HB3 ALA 87 3HB ALA 87 -1.393 -27.892 -3.281 666 H ALA 88 H ALA 88 0.058 -25.157 -2.212 667 HA ALA 88 HA ALA 88 2.614 -26.388 -1.502 668 HB1 ALA 88 1HB ALA 88 3.627 -24.745 -2.969 669 HB2 ALA 88 2HB ALA 88 2.312 -25.577 -3.801 670 HB3 ALA 88 3HB ALA 88 2.070 -23.943 -3.181 671 H GLY 89 H GLY 89 0.549 -23.709 -0.675 672 HA2 GLY 89 2HA GLY 89 2.641 -22.492 0.976 673 HA3 GLY 89 3HA GLY 89 1.072 -21.789 0.609 674 H ASP 90 H ASP 90 -0.799 -23.312 1.453 675 HA ASP 90 HA ASP 90 -0.847 -23.144 4.205 676 HB2 ASP 90 2HB ASP 90 -2.940 -23.389 3.209 677 HB3 ASP 90 3HB ASP 90 -2.426 -24.766 2.237 678 H THR 91 H THR 91 0.723 -24.020 5.427 679 HA THR 91 HA THR 91 1.199 -26.918 5.154 680 HB THR 91 HB THR 91 3.438 -26.443 6.244 681 HG1 THR 91 HG1 THR 91 4.067 -24.398 6.497 682 HG21 THR 91 3HG2 THR 91 4.192 -25.186 3.970 683 HG22 THR 91 1HG2 THR 91 2.609 -25.796 3.489 684 HG23 THR 91 2HG2 THR 91 3.845 -26.912 4.070 685 H ASP 92 H ASP 92 0.904 -24.203 7.395 686 HA ASP 92 HA ASP 92 0.632 -26.094 9.625 687 HB2 ASP 92 2HB ASP 92 1.233 -23.140 9.526 688 HB3 ASP 92 3HB ASP 92 0.794 -23.961 11.022 689 H GLY 93 H GLY 93 -1.438 -25.514 7.574 690 HA2 GLY 93 2HA GLY 93 -3.581 -24.838 9.463 691 HA3 GLY 93 3HA GLY 93 -3.492 -23.957 7.945 692 H ASP 94 H ASP 94 -5.669 -24.813 7.620 693 HA ASP 94 HA ASP 94 -5.548 -27.444 6.330 694 HB2 ASP 94 2HB ASP 94 -7.589 -26.534 8.356 695 HB3 ASP 94 3HB ASP 94 -7.905 -27.848 7.226 696 H GLY 95 H GLY 95 -5.289 -25.706 4.581 697 HA2 GLY 95 2HA GLY 95 -6.522 -25.364 2.542 698 HA3 GLY 95 3HA GLY 95 -7.976 -25.151 3.507 699 H LYS 96 H LYS 96 -6.334 -23.444 5.407 700 HA LYS 96 HA LYS 96 -6.545 -20.977 3.823 701 HB2 LYS 96 2HB LYS 96 -6.410 -21.117 6.827 702 HB3 LYS 96 3HB LYS 96 -7.023 -19.811 5.820 703 HG2 LYS 96 2HG LYS 96 -8.859 -21.366 5.100 704 HG3 LYS 96 3HG LYS 96 -8.300 -22.480 6.350 705 HD2 LYS 96 2HD LYS 96 -8.596 -20.621 8.008 706 HD3 LYS 96 3HD LYS 96 -9.363 -19.684 6.724 707 HE2 LYS 96 2HE LYS 96 -11.101 -21.339 6.495 708 HE3 LYS 96 3HE LYS 96 -10.296 -22.397 7.654 709 HZ1 LYS 96 3HZ LYS 96 -10.819 -20.990 9.413 710 HZ2 LYS 96 1HZ LYS 96 -12.229 -20.983 8.478 711 HZ3 LYS 96 2HZ LYS 96 -11.161 -19.674 8.406 712 H ILE 97 H ILE 97 -4.918 -19.420 3.878 713 HA ILE 97 HA ILE 97 -2.340 -20.342 4.971 714 HB ILE 97 HB ILE 97 -2.846 -18.794 2.429 715 HG12 ILE 97 2HG1 ILE 97 -1.672 -21.535 2.942 716 HG13 ILE 97 3HG1 ILE 97 -3.238 -21.195 2.215 717 HG21 ILE 97 1HG2 ILE 97 -0.400 -18.857 2.129 718 HG22 ILE 97 2HG2 ILE 97 -0.886 -17.905 3.530 719 HG23 ILE 97 3HG2 ILE 97 -0.239 -19.531 3.750 720 HD11 ILE 97 3HD1 ILE 97 -0.550 -20.512 1.050 721 HD12 ILE 97 1HD1 ILE 97 -1.627 -21.806 0.524 722 HD13 ILE 97 2HD1 ILE 97 -2.109 -20.121 0.326 723 H GLY 98 H GLY 98 -1.014 -18.842 5.964 724 HA2 GLY 98 2HA GLY 98 -2.242 -16.194 6.436 725 HA3 GLY 98 3HA GLY 98 -1.389 -17.093 7.682 726 H VAL 99 H VAL 99 0.594 -16.400 8.079 727 HA VAL 99 HA VAL 99 2.051 -15.017 5.923 728 HB VAL 99 HB VAL 99 3.358 -14.410 8.297 729 HG11 VAL 99 1HG1 VAL 99 2.952 -12.251 7.684 730 HG12 VAL 99 2HG1 VAL 99 2.523 -13.059 6.175 731 HG13 VAL 99 3HG1 VAL 99 1.259 -12.561 7.300 732 HG21 VAL 99 3HG2 VAL 99 1.567 -13.531 9.753 733 HG22 VAL 99 1HG2 VAL 99 0.372 -14.312 8.717 734 HG23 VAL 99 2HG2 VAL 99 1.531 -15.289 9.619 735 H GLU 100 H GLU 100 2.676 -16.948 8.860 736 HA GLU 100 HA GLU 100 5.308 -17.612 8.365 737 HB2 GLU 100 2HB GLU 100 3.185 -18.571 10.074 738 HB3 GLU 100 3HB GLU 100 4.169 -19.911 9.503 739 HG2 GLU 100 2HG GLU 100 6.173 -18.488 10.236 740 HG3 GLU 100 3HG GLU 100 4.989 -17.544 11.138 741 H GLU 101 H GLU 101 2.395 -18.944 6.968 742 HA GLU 101 HA GLU 101 3.771 -21.155 5.716 743 HB2 GLU 101 2HB GLU 101 0.968 -20.128 5.238 744 HB3 GLU 101 3HB GLU 101 1.614 -21.677 4.714 745 HG2 GLU 101 2HG GLU 101 1.708 -22.502 6.912 746 HG3 GLU 101 3HG GLU 101 1.481 -20.899 7.608 747 H PHE 102 H PHE 102 2.658 -17.951 4.843 748 HA PHE 102 HA PHE 102 2.871 -18.165 2.052 749 HB2 PHE 102 2HB PHE 102 1.768 -16.289 3.292 750 HB3 PHE 102 3HB PHE 102 3.368 -15.690 3.716 751 HD1 PHE 102 HD1 PHE 102 1.148 -16.443 0.849 752 HD2 PHE 102 HD2 PHE 102 4.566 -14.326 2.244 753 HE1 PHE 102 HE1 PHE 102 1.229 -15.187 -1.266 754 HE2 PHE 102 HE2 PHE 102 4.653 -13.066 0.133 755 HZ PHE 102 HZ PHE 102 2.982 -13.496 -1.625 756 H GLN 103 H GLN 103 5.179 -16.624 4.298 757 HA GLN 103 HA GLN 103 7.245 -16.266 2.480 758 HB2 GLN 103 2HB GLN 103 8.738 -16.246 4.504 759 HB3 GLN 103 3HB GLN 103 7.355 -15.163 4.591 760 HG2 GLN 103 2HG GLN 103 6.256 -16.484 6.152 761 HG3 GLN 103 3HG GLN 103 7.223 -17.908 5.768 762 HE21 GLN 103 1HE2 GLN 103 8.444 -18.430 7.424 763 HE22 GLN 103 2HE2 GLN 103 9.315 -17.336 8.438 764 H SER 104 H SER 104 6.292 -19.109 4.271 765 HA SER 104 HA SER 104 8.664 -20.608 3.863 766 HB2 SER 104 2HB SER 104 6.902 -21.116 5.582 767 HB3 SER 104 3HB SER 104 5.870 -21.694 4.274 768 HG SER 104 HG SER 104 7.942 -23.015 3.816 769 H LEU 105 H LEU 105 6.237 -19.626 1.744 770 HA LEU 105 HA LEU 105 6.805 -21.825 -0.125 771 HB2 LEU 105 2HB LEU 105 4.483 -21.660 0.208 772 HB3 LEU 105 3HB LEU 105 4.514 -19.900 0.115 773 HG LEU 105 HG LEU 105 5.311 -21.413 -2.313 774 HD11 LEU 105 1HD1 LEU 105 3.440 -22.714 -1.926 775 HD12 LEU 105 2HD1 LEU 105 2.785 -21.389 -2.886 776 HD13 LEU 105 3HD1 LEU 105 2.562 -21.404 -1.137 777 HD21 LEU 105 3HD2 LEU 105 4.933 -18.784 -1.724 778 HD22 LEU 105 1HD2 LEU 105 3.373 -19.216 -2.425 779 HD23 LEU 105 2HD2 LEU 105 4.855 -19.474 -3.346 780 H VAL 106 H VAL 106 6.624 -18.301 0.140 781 HA VAL 106 HA VAL 106 7.335 -17.649 -2.481 782 HB VAL 106 HB VAL 106 8.084 -16.088 -0.006 783 HG11 VAL 106 1HG1 VAL 106 9.086 -14.807 -1.548 784 HG12 VAL 106 2HG1 VAL 106 8.234 -15.581 -2.885 785 HG13 VAL 106 3HG1 VAL 106 7.450 -14.297 -1.964 786 HG21 VAL 106 3HG2 VAL 106 5.754 -15.064 -1.259 787 HG22 VAL 106 1HG2 VAL 106 5.508 -16.788 -0.981 788 HG23 VAL 106 2HG2 VAL 106 5.924 -15.728 0.366 789 H LYS 107 H LYS 107 9.398 -18.064 0.388 790 HA LYS 107 HA LYS 107 11.846 -17.526 -0.864 791 HB2 LYS 107 2HB LYS 107 11.330 -19.378 1.470 792 HB3 LYS 107 3HB LYS 107 12.877 -18.659 1.040 793 HG2 LYS 107 2HG LYS 107 10.655 -16.772 1.474 794 HG3 LYS 107 3HG LYS 107 11.224 -17.649 2.896 795 HD2 LYS 107 2HD LYS 107 13.049 -16.159 1.018 796 HD3 LYS 107 3HD LYS 107 12.354 -15.443 2.474 797 HE2 LYS 107 2HE LYS 107 13.376 -17.382 3.744 798 HE3 LYS 107 3HE LYS 107 14.264 -17.760 2.269 799 HZ1 LYS 107 3HZ LYS 107 14.416 -15.005 3.181 800 HZ2 LYS 107 1HZ LYS 107 15.619 -15.999 2.527 801 HZ3 LYS 107 2HZ LYS 107 15.193 -16.147 4.157 802 H ALA 108 H ALA 108 9.762 -20.223 -1.108 803 HA ALA 108 HA ALA 108 11.829 -22.070 -1.960 804 HB1 ALA 108 1HB ALA 108 9.654 -22.635 -0.673 805 HB2 ALA 108 2HB ALA 108 8.898 -22.582 -2.266 806 HB3 ALA 108 3HB ALA 108 10.205 -23.721 -1.948 Start of MODEL 13 1 H1 ALA 1 H ALA 1 1.611 1.466 -0.144 2 HA ALA 1 HA ALA 1 1.779 0.150 -2.444 3 HB1 ALA 1 1HB ALA 1 3.053 1.882 -2.982 4 HB2 ALA 1 2HB ALA 1 3.249 2.261 -1.270 5 HB3 ALA 1 3HB ALA 1 4.401 1.196 -2.075 6 H ILE 2 H ILE 2 3.432 -1.127 -3.543 7 HA ILE 2 HA ILE 2 4.712 -3.052 -1.714 8 HB ILE 2 HB ILE 2 2.914 -4.079 -3.008 9 HG12 ILE 2 2HG1 ILE 2 4.240 -5.896 -4.071 10 HG13 ILE 2 3HG1 ILE 2 5.683 -4.901 -3.910 11 HG21 ILE 2 1HG2 ILE 2 2.506 -3.595 -5.138 12 HG22 ILE 2 2HG2 ILE 2 3.798 -2.399 -5.049 13 HG23 ILE 2 3HG2 ILE 2 4.148 -4.033 -5.610 14 HD11 ILE 2 3HD1 ILE 2 5.369 -4.920 -1.462 15 HD12 ILE 2 1HD1 ILE 2 4.006 -6.017 -1.678 16 HD13 ILE 2 2HD1 ILE 2 5.629 -6.523 -2.148 17 H THR 3 H THR 3 5.120 -0.944 -4.434 18 HA THR 3 HA THR 3 7.457 -1.902 -5.577 19 HB THR 3 HB THR 3 7.908 0.405 -6.303 20 HG1 THR 3 HG1 THR 3 5.719 1.088 -4.604 21 HG21 THR 3 3HG2 THR 3 5.111 0.611 -6.781 22 HG22 THR 3 1HG2 THR 3 5.546 -1.098 -6.794 23 HG23 THR 3 2HG2 THR 3 6.371 0.031 -7.870 24 H ASP 4 H ASP 4 6.973 -0.321 -2.531 25 HA ASP 4 HA ASP 4 9.535 0.675 -2.041 26 HB2 ASP 4 2HB ASP 4 7.296 -0.263 -0.285 27 HB3 ASP 4 3HB ASP 4 8.855 0.131 0.434 28 H ILE 5 H ILE 5 8.383 -2.560 -2.175 29 HA ILE 5 HA ILE 5 10.943 -3.523 -1.076 30 HB ILE 5 HB ILE 5 8.595 -5.348 -1.246 31 HG12 ILE 5 2HG1 ILE 5 8.983 -3.254 0.902 32 HG13 ILE 5 3HG1 ILE 5 7.620 -3.382 -0.205 33 HG21 ILE 5 1HG2 ILE 5 11.059 -5.831 -0.498 34 HG22 ILE 5 2HG2 ILE 5 10.506 -5.153 1.032 35 HG23 ILE 5 3HG2 ILE 5 9.703 -6.569 0.354 36 HD11 ILE 5 3HD1 ILE 5 6.820 -4.253 1.791 37 HD12 ILE 5 1HD1 ILE 5 7.235 -5.682 0.846 38 HD13 ILE 5 2HD1 ILE 5 8.317 -5.124 2.122 39 H LEU 6 H LEU 6 8.387 -4.244 -3.442 40 HA LEU 6 HA LEU 6 10.258 -5.903 -4.955 41 HB2 LEU 6 2HB LEU 6 7.321 -5.625 -4.803 42 HB3 LEU 6 3HB LEU 6 7.986 -6.022 -6.386 43 HG LEU 6 HG LEU 6 8.793 -8.091 -5.660 44 HD11 LEU 6 1HD1 LEU 6 8.815 -8.743 -3.255 45 HD12 LEU 6 2HD1 LEU 6 8.417 -7.074 -2.850 46 HD13 LEU 6 3HD1 LEU 6 9.937 -7.445 -3.664 47 HD21 LEU 6 3HD2 LEU 6 6.414 -8.077 -3.894 48 HD22 LEU 6 1HD2 LEU 6 6.860 -9.186 -5.191 49 HD23 LEU 6 2HD2 LEU 6 6.176 -7.607 -5.577 50 H SER 7 H SER 7 9.675 -5.661 -7.488 51 HA SER 7 HA SER 7 10.047 -2.805 -8.114 52 HB2 SER 7 2HB SER 7 11.638 -5.128 -8.801 53 HB3 SER 7 3HB SER 7 11.092 -4.286 -10.251 54 HG SER 7 HG SER 7 12.641 -2.940 -9.833 55 H ALA 8 H ALA 8 8.708 -1.899 -9.551 56 HA ALA 8 HA ALA 8 6.377 -3.225 -10.406 57 HB1 ALA 8 1HB ALA 8 7.288 -0.590 -10.321 58 HB2 ALA 8 2HB ALA 8 6.958 -0.912 -12.023 59 HB3 ALA 8 3HB ALA 8 5.692 -1.152 -10.819 60 H LYS 9 H LYS 9 9.526 -3.047 -11.757 61 HA LYS 9 HA LYS 9 8.602 -3.845 -14.413 62 HB2 LYS 9 2HB LYS 9 10.473 -2.122 -13.951 63 HB3 LYS 9 3HB LYS 9 11.477 -3.521 -13.592 64 HG2 LYS 9 2HG LYS 9 11.094 -4.390 -15.831 65 HG3 LYS 9 3HG LYS 9 10.046 -3.017 -16.195 66 HD2 LYS 9 2HD LYS 9 12.076 -1.565 -15.592 67 HD3 LYS 9 3HD LYS 9 13.014 -3.052 -15.742 68 HE2 LYS 9 2HE LYS 9 13.183 -2.188 -17.869 69 HE3 LYS 9 3HE LYS 9 11.791 -3.256 -18.037 70 HZ1 LYS 9 3HZ LYS 9 11.217 -0.522 -17.232 71 HZ2 LYS 9 1HZ LYS 9 10.389 -1.533 -18.308 72 HZ3 LYS 9 2HZ LYS 9 11.784 -0.721 -18.814 73 H ASP 10 H ASP 10 9.512 -5.265 -11.517 74 HA ASP 10 HA ASP 10 10.515 -7.697 -12.817 75 HB2 ASP 10 2HB ASP 10 10.469 -6.972 -9.880 76 HB3 ASP 10 3HB ASP 10 11.227 -8.398 -10.584 77 H ILE 11 H ILE 11 7.818 -6.395 -11.078 78 HA ILE 11 HA ILE 11 6.640 -8.861 -10.295 79 HB ILE 11 HB ILE 11 5.401 -6.137 -10.692 80 HG12 ILE 11 2HG1 ILE 11 5.847 -7.463 -8.047 81 HG13 ILE 11 3HG1 ILE 11 7.209 -6.697 -8.856 82 HG21 ILE 11 1HG2 ILE 11 4.252 -8.679 -9.567 83 HG22 ILE 11 2HG2 ILE 11 3.567 -7.087 -9.245 84 HG23 ILE 11 3HG2 ILE 11 3.634 -7.700 -10.897 85 HD11 ILE 11 3HD1 ILE 11 6.106 -5.229 -7.227 86 HD12 ILE 11 1HD1 ILE 11 6.061 -4.580 -8.866 87 HD13 ILE 11 2HD1 ILE 11 4.621 -5.326 -8.173 88 H GLU 12 H GLU 12 6.298 -6.769 -13.120 89 HA GLU 12 HA GLU 12 4.211 -8.375 -14.281 90 HB2 GLU 12 2HB GLU 12 4.196 -6.834 -16.054 91 HB3 GLU 12 3HB GLU 12 4.583 -5.870 -14.636 92 HG2 GLU 12 2HG GLU 12 6.154 -5.052 -16.034 93 HG3 GLU 12 3HG GLU 12 7.059 -6.429 -15.408 94 H SER 13 H SER 13 7.667 -8.303 -14.345 95 HA SER 13 HA SER 13 7.860 -9.939 -16.734 96 HB2 SER 13 2HB SER 13 9.998 -9.009 -14.801 97 HB3 SER 13 3HB SER 13 10.295 -9.844 -16.325 98 HG SER 13 HG SER 13 9.822 -8.072 -17.410 99 H ALA 14 H ALA 14 7.194 -10.483 -13.526 100 HA ALA 14 HA ALA 14 8.397 -13.168 -13.557 101 HB1 ALA 14 1HB ALA 14 8.345 -13.177 -11.207 102 HB2 ALA 14 2HB ALA 14 8.899 -11.562 -11.651 103 HB3 ALA 14 3HB ALA 14 7.229 -11.813 -11.144 104 H LEU 15 H LEU 15 5.512 -11.571 -14.077 105 HA LEU 15 HA LEU 15 3.668 -13.370 -12.885 106 HB2 LEU 15 2HB LEU 15 3.549 -11.179 -14.875 107 HB3 LEU 15 3HB LEU 15 2.219 -12.335 -14.874 108 HG LEU 15 HG LEU 15 3.056 -10.924 -12.361 109 HD11 LEU 15 1HD1 LEU 15 2.194 -8.982 -13.001 110 HD12 LEU 15 2HD1 LEU 15 0.737 -9.764 -13.611 111 HD13 LEU 15 3HD1 LEU 15 2.154 -9.608 -14.649 112 HD21 LEU 15 3HD2 LEU 15 0.750 -12.547 -13.299 113 HD22 LEU 15 1HD2 LEU 15 0.446 -11.259 -12.133 114 HD23 LEU 15 2HD2 LEU 15 1.581 -12.551 -11.742 115 H SER 16 H SER 16 4.764 -12.993 -16.256 116 HA SER 16 HA SER 16 3.642 -15.619 -16.889 117 HB2 SER 16 2HB SER 16 4.003 -13.181 -18.350 118 HB3 SER 16 3HB SER 16 4.884 -14.470 -19.169 119 HG SER 16 HG SER 16 3.051 -15.488 -19.583 120 H SER 17 H SER 17 6.278 -14.827 -15.418 121 HA SER 17 HA SER 17 8.453 -15.681 -16.955 122 HB2 SER 17 2HB SER 17 7.905 -15.210 -14.111 123 HB3 SER 17 3HB SER 17 9.133 -16.442 -14.400 124 HG SER 17 HG SER 17 9.172 -13.901 -15.650 125 H CYS 18 H CYS 18 6.221 -17.499 -14.902 126 HA CYS 18 HA CYS 18 7.233 -19.972 -16.136 127 HB2 CYS 18 2HB CYS 18 6.247 -19.783 -13.287 128 HB3 CYS 18 3HB CYS 18 7.020 -21.159 -14.065 129 HG CYS 18 HG CYS 18 9.198 -20.531 -12.819 130 H GLN 19 H GLN 19 5.171 -18.675 -17.293 131 HA GLN 19 HA GLN 19 2.796 -20.192 -16.435 132 HB2 GLN 19 2HB GLN 19 2.966 -17.519 -17.833 133 HB3 GLN 19 3HB GLN 19 1.470 -18.411 -17.592 134 HG2 GLN 19 2HG GLN 19 3.197 -17.738 -15.254 135 HG3 GLN 19 3HG GLN 19 2.130 -16.519 -15.950 136 HE21 GLN 19 1HE2 GLN 19 2.197 -19.768 -14.586 137 HE22 GLN 19 2HE2 GLN 19 0.586 -19.735 -13.962 138 H ALA 20 H ALA 20 5.111 -20.709 -18.399 139 HA ALA 20 HA ALA 20 3.389 -21.730 -20.532 140 HB1 ALA 20 1HB ALA 20 4.709 -19.450 -21.010 141 HB2 ALA 20 2HB ALA 20 5.965 -20.609 -21.447 142 HB3 ALA 20 3HB ALA 20 4.398 -20.663 -22.253 143 H ALA 21 H ALA 21 4.207 -23.560 -21.607 144 HA ALA 21 HA ALA 21 5.662 -25.359 -20.056 145 HB1 ALA 21 1HB ALA 21 4.541 -26.577 -21.567 146 HB2 ALA 21 2HB ALA 21 4.590 -25.299 -22.782 147 HB3 ALA 21 3HB ALA 21 5.980 -26.362 -22.564 148 H ASP 22 H ASP 22 6.744 -22.882 -22.196 149 HA ASP 22 HA ASP 22 9.519 -23.683 -21.680 150 HB2 ASP 22 2HB ASP 22 10.001 -22.815 -24.071 151 HB3 ASP 22 3HB ASP 22 9.331 -24.434 -23.886 152 H SER 23 H SER 23 8.663 -21.909 -20.056 153 HA SER 23 HA SER 23 9.547 -19.317 -21.137 154 HB2 SER 23 2HB SER 23 7.166 -19.132 -20.833 155 HB3 SER 23 3HB SER 23 7.265 -19.842 -19.221 156 HG SER 23 HG SER 23 7.239 -17.740 -18.775 157 H PHE 24 H PHE 24 9.094 -21.259 -18.200 158 HA PHE 24 HA PHE 24 10.611 -19.686 -16.462 159 HB2 PHE 24 2HB PHE 24 9.219 -21.415 -15.561 160 HB3 PHE 24 3HB PHE 24 10.064 -22.656 -16.481 161 HD1 PHE 24 HD2 PHE 24 11.382 -19.872 -14.391 162 HD2 PHE 24 HD1 PHE 24 11.023 -24.078 -14.939 163 HE1 PHE 24 HE2 PHE 24 12.896 -20.246 -12.488 164 HE2 PHE 24 HE1 PHE 24 12.536 -24.458 -13.036 165 HZ PHE 24 HZ PHE 24 13.475 -22.541 -11.809 166 H ASN 25 H ASN 25 12.526 -18.965 -17.312 167 HA ASN 25 HA ASN 25 14.531 -21.022 -17.967 168 HB2 ASN 25 2HB ASN 25 13.754 -19.185 -19.694 169 HB3 ASN 25 3HB ASN 25 14.871 -18.166 -18.791 170 HD21 ASN 25 1HD2 ASN 25 16.624 -17.968 -19.987 171 HD22 ASN 25 2HD2 ASN 25 17.492 -19.263 -20.733 172 H TYR 26 H TYR 26 16.841 -20.151 -17.587 173 HA TYR 26 HA TYR 26 17.157 -19.721 -14.820 174 HB2 TYR 26 2HB TYR 26 19.580 -19.345 -15.427 175 HB3 TYR 26 3HB TYR 26 18.893 -20.864 -15.991 176 HD1 TYR 26 HD2 TYR 26 19.709 -17.409 -17.097 177 HD2 TYR 26 HD1 TYR 26 18.992 -21.439 -18.257 178 HE1 TYR 26 HE2 TYR 26 20.413 -16.867 -19.390 179 HE2 TYR 26 HE1 TYR 26 19.695 -20.909 -20.554 180 HH TYR 26 HH TYR 26 19.982 -19.082 -22.016 181 H LYS 27 H LYS 27 16.726 -17.558 -17.456 182 HA LYS 27 HA LYS 27 17.930 -15.262 -16.246 183 HB2 LYS 27 2HB LYS 27 16.296 -15.812 -18.665 184 HB3 LYS 27 3HB LYS 27 16.271 -14.166 -18.047 185 HG2 LYS 27 2HG LYS 27 18.822 -14.305 -18.080 186 HG3 LYS 27 3HG LYS 27 18.601 -15.742 -19.082 187 HD2 LYS 27 2HD LYS 27 17.689 -14.538 -20.834 188 HD3 LYS 27 3HD LYS 27 17.191 -13.203 -19.793 189 HE2 LYS 27 2HE LYS 27 19.397 -12.381 -19.628 190 HE3 LYS 27 3HE LYS 27 20.081 -13.864 -20.293 191 HZ1 LYS 27 3HZ LYS 27 18.975 -11.573 -21.657 192 HZ2 LYS 27 1HZ LYS 27 18.456 -13.060 -22.273 193 HZ3 LYS 27 2HZ LYS 27 20.109 -12.709 -22.192 194 H SER 28 H SER 28 14.663 -16.579 -16.429 195 HA SER 28 HA SER 28 13.229 -14.438 -15.395 196 HB2 SER 28 2HB SER 28 12.826 -17.385 -15.492 197 HB3 SER 28 3HB SER 28 11.809 -16.469 -14.381 198 HG SER 28 HG SER 28 12.050 -16.166 -17.185 199 H PHE 29 H PHE 29 14.847 -17.086 -13.671 200 HA PHE 29 HA PHE 29 14.082 -16.397 -11.080 201 HB2 PHE 29 2HB PHE 29 15.202 -18.524 -11.721 202 HB3 PHE 29 3HB PHE 29 16.709 -17.637 -11.924 203 HD1 PHE 29 HD1 PHE 29 14.735 -16.353 -9.267 204 HD2 PHE 29 HD2 PHE 29 17.502 -19.427 -10.270 205 HE1 PHE 29 HE1 PHE 29 15.241 -16.672 -6.880 206 HE2 PHE 29 HE2 PHE 29 18.012 -19.752 -7.885 207 HZ PHE 29 HZ PHE 29 16.880 -18.374 -6.187 208 H PHE 30 H PHE 30 16.896 -15.364 -12.974 209 HA PHE 30 HA PHE 30 18.104 -13.815 -10.958 210 HB2 PHE 30 2HB PHE 30 18.263 -13.478 -13.961 211 HB3 PHE 30 3HB PHE 30 19.367 -12.764 -12.790 212 HD1 PHE 30 HD2 PHE 30 19.609 -15.140 -10.948 213 HD2 PHE 30 HD1 PHE 30 19.759 -14.806 -15.189 214 HE1 PHE 30 HE2 PHE 30 21.020 -17.153 -11.054 215 HE2 PHE 30 HE1 PHE 30 21.170 -16.819 -15.301 216 HZ PHE 30 HZ PHE 30 21.803 -17.994 -13.232 217 H SER 31 H SER 31 15.680 -13.053 -13.398 218 HA SER 31 HA SER 31 15.530 -10.297 -12.413 219 HB2 SER 31 2HB SER 31 15.321 -11.415 -14.983 220 HB3 SER 31 3HB SER 31 13.692 -10.883 -14.566 221 HG SER 31 HG SER 31 14.324 -8.901 -14.804 222 H THR 32 H THR 32 14.533 -12.662 -10.938 223 HA THR 32 HA THR 32 11.804 -13.027 -11.030 224 HB THR 32 HB THR 32 13.105 -14.385 -9.552 225 HG1 THR 32 HG1 THR 32 11.374 -14.471 -8.352 226 HG21 THR 32 3HG2 THR 32 14.779 -13.546 -8.348 227 HG22 THR 32 1HG2 THR 32 13.628 -12.656 -7.353 228 HG23 THR 32 2HG2 THR 32 14.296 -11.914 -8.808 229 H VAL 33 H VAL 33 10.112 -12.199 -9.586 230 HA VAL 33 HA VAL 33 9.737 -9.459 -9.815 231 HB VAL 33 HB VAL 33 7.846 -10.899 -9.472 232 HG11 VAL 33 1HG1 VAL 33 7.673 -11.607 -6.855 233 HG12 VAL 33 2HG1 VAL 33 8.239 -12.670 -8.146 234 HG13 VAL 33 3HG1 VAL 33 9.402 -11.793 -7.150 235 HG21 VAL 33 3HG2 VAL 33 8.001 -8.483 -8.455 236 HG22 VAL 33 1HG2 VAL 33 6.596 -9.503 -8.146 237 HG23 VAL 33 2HG2 VAL 33 7.859 -9.350 -6.925 238 H GLY 34 H GLY 34 11.507 -11.241 -7.456 239 HA2 GLY 34 2HA GLY 34 13.084 -10.254 -6.002 240 HA3 GLY 34 3HA GLY 34 12.213 -8.733 -6.127 241 H LEU 35 H LEU 35 10.773 -11.863 -5.397 242 HA LEU 35 HA LEU 35 10.181 -10.874 -2.685 243 HB2 LEU 35 2HB LEU 35 8.351 -11.319 -4.649 244 HB3 LEU 35 3HB LEU 35 8.356 -12.873 -3.819 245 HG LEU 35 HG LEU 35 7.568 -10.179 -2.752 246 HD11 LEU 35 1HD1 LEU 35 5.678 -11.847 -1.937 247 HD12 LEU 35 2HD1 LEU 35 6.246 -12.771 -3.328 248 HD13 LEU 35 3HD1 LEU 35 5.658 -11.123 -3.546 249 HD21 LEU 35 3HD2 LEU 35 7.256 -11.568 -0.574 250 HD22 LEU 35 1HD2 LEU 35 8.835 -10.881 -0.956 251 HD23 LEU 35 2HD2 LEU 35 8.519 -12.589 -1.263 252 H SER 36 H SER 36 10.657 -13.762 -4.686 253 HA SER 36 HA SER 36 10.804 -15.567 -2.493 254 HB2 SER 36 2HB SER 36 12.040 -16.974 -4.370 255 HB3 SER 36 3HB SER 36 10.300 -16.695 -4.439 256 HG SER 36 HG SER 36 11.528 -16.252 -6.417 257 H SER 37 H SER 37 12.989 -13.316 -3.815 258 HA SER 37 HA SER 37 15.261 -14.636 -2.483 259 HB2 SER 37 2HB SER 37 16.692 -13.170 -3.915 260 HB3 SER 37 3HB SER 37 15.691 -14.288 -4.841 261 HG SER 37 HG SER 37 15.715 -11.580 -4.862 262 H LYS 38 H LYS 38 13.115 -12.898 -1.317 263 HA LYS 38 HA LYS 38 14.628 -10.538 -0.499 264 HB2 LYS 38 2HB LYS 38 11.775 -11.349 -0.449 265 HB3 LYS 38 3HB LYS 38 12.317 -10.306 0.859 266 HG2 LYS 38 2HG LYS 38 12.846 -9.635 -2.015 267 HG3 LYS 38 3HG LYS 38 11.336 -9.197 -1.213 268 HD2 LYS 38 2HD LYS 38 12.489 -7.854 0.386 269 HD3 LYS 38 3HD LYS 38 14.058 -8.457 -0.152 270 HE2 LYS 38 2HE LYS 38 13.839 -7.334 -2.255 271 HE3 LYS 38 3HE LYS 38 12.169 -6.891 -1.901 272 HZ1 LYS 38 3HZ LYS 38 12.935 -5.024 -1.025 273 HZ2 LYS 38 1HZ LYS 38 14.540 -5.514 -1.238 274 HZ3 LYS 38 2HZ LYS 38 13.715 -5.915 0.183 275 H THR 39 H THR 39 14.035 -9.993 1.974 276 HA THR 39 HA THR 39 15.299 -12.131 3.488 277 HB THR 39 HB THR 39 15.445 -9.335 3.600 278 HG1 THR 39 HG1 THR 39 17.222 -9.969 4.549 279 HG21 THR 39 3HG2 THR 39 14.822 -8.768 5.863 280 HG22 THR 39 1HG2 THR 39 14.280 -10.418 6.167 281 HG23 THR 39 2HG2 THR 39 13.408 -9.399 5.021 282 HA PRO 40 HA PRO 40 11.709 -13.560 5.573 283 HB2 PRO 40 2HB PRO 40 12.716 -14.156 8.022 284 HB3 PRO 40 3HB PRO 40 13.058 -15.121 6.582 285 HG2 PRO 40 2HG PRO 40 14.734 -13.016 7.894 286 HG3 PRO 40 3HG PRO 40 15.225 -14.589 7.239 287 HD2 PRO 40 2HD PRO 40 15.586 -12.271 5.887 288 HD3 PRO 40 3HD PRO 40 15.266 -13.813 5.069 289 H ASP 41 H ASP 41 10.925 -11.226 5.453 290 HA ASP 41 HA ASP 41 9.736 -10.491 7.857 291 HB2 ASP 41 2HB ASP 41 12.404 -9.700 7.842 292 HB3 ASP 41 3HB ASP 41 11.523 -8.240 7.401 293 H GLN 42 H GLN 42 10.925 -9.510 4.718 294 HA GLN 42 HA GLN 42 8.949 -7.407 4.450 295 HB2 GLN 42 2HB GLN 42 10.809 -8.509 2.342 296 HB3 GLN 42 3HB GLN 42 9.940 -6.981 2.294 297 HG2 GLN 42 2HG GLN 42 11.308 -6.020 3.932 298 HG3 GLN 42 3HG GLN 42 11.953 -7.584 4.430 299 HE21 GLN 42 1HE2 GLN 42 13.584 -8.532 3.246 300 HE22 GLN 42 2HE2 GLN 42 14.471 -7.685 2.030 301 H ILE 43 H ILE 43 9.443 -10.709 3.404 302 HA ILE 43 HA ILE 43 7.608 -10.919 1.346 303 HB ILE 43 HB ILE 43 8.201 -12.981 3.472 304 HG12 ILE 43 2HG1 ILE 43 9.403 -12.640 0.718 305 HG13 ILE 43 3HG1 ILE 43 10.179 -12.120 2.210 306 HG21 ILE 43 1HG2 ILE 43 7.604 -14.223 1.040 307 HG22 ILE 43 2HG2 ILE 43 6.625 -14.210 2.505 308 HG23 ILE 43 3HG2 ILE 43 6.364 -12.988 1.261 309 HD11 ILE 43 3HD1 ILE 43 10.794 -14.401 1.128 310 HD12 ILE 43 1HD1 ILE 43 10.629 -14.267 2.879 311 HD13 ILE 43 2HD1 ILE 43 9.319 -14.956 1.920 312 H LYS 44 H LYS 44 7.034 -11.366 4.831 313 HA LYS 44 HA LYS 44 4.319 -11.963 4.712 314 HB2 LYS 44 2HB LYS 44 4.271 -10.957 7.060 315 HB3 LYS 44 3HB LYS 44 5.386 -12.289 6.786 316 HG2 LYS 44 2HG LYS 44 7.249 -10.803 6.678 317 HG3 LYS 44 3HG LYS 44 6.190 -9.391 6.689 318 HD2 LYS 44 2HD LYS 44 5.493 -10.874 8.959 319 HD3 LYS 44 3HD LYS 44 7.257 -10.899 8.900 320 HE2 LYS 44 2HE LYS 44 6.955 -8.337 8.411 321 HE3 LYS 44 3HE LYS 44 5.392 -8.589 9.187 322 HZ1 LYS 44 3HZ LYS 44 6.612 -8.136 11.016 323 HZ2 LYS 44 1HZ LYS 44 8.068 -8.662 10.334 324 HZ3 LYS 44 2HZ LYS 44 6.961 -9.789 10.937 325 H LYS 45 H LYS 45 5.972 -8.869 4.604 326 HA LYS 45 HA LYS 45 3.648 -7.260 4.929 327 HB2 LYS 45 2HB LYS 45 6.481 -6.822 4.175 328 HB3 LYS 45 3HB LYS 45 5.332 -5.610 3.622 329 HG2 LYS 45 2HG LYS 45 4.531 -5.559 6.065 330 HG3 LYS 45 3HG LYS 45 6.052 -6.380 6.422 331 HD2 LYS 45 2HD LYS 45 5.843 -3.775 4.916 332 HD3 LYS 45 3HD LYS 45 6.153 -3.898 6.650 333 HE2 LYS 45 2HE LYS 45 8.199 -5.118 6.232 334 HE3 LYS 45 3HE LYS 45 7.870 -5.134 4.500 335 HZ1 LYS 45 3HZ LYS 45 8.304 -2.680 6.115 336 HZ2 LYS 45 1HZ LYS 45 8.093 -2.755 4.438 337 HZ3 LYS 45 2HZ LYS 45 9.478 -3.418 5.147 338 H VAL 46 H VAL 46 4.899 -9.072 2.323 339 HA VAL 46 HA VAL 46 3.553 -7.495 0.280 340 HB VAL 46 HB VAL 46 5.070 -10.097 0.029 341 HG11 VAL 46 1HG1 VAL 46 3.949 -8.216 -2.040 342 HG12 VAL 46 2HG1 VAL 46 5.127 -9.481 -2.396 343 HG13 VAL 46 3HG1 VAL 46 3.528 -9.909 -1.784 344 HG21 VAL 46 3HG2 VAL 46 6.692 -8.551 0.628 345 HG22 VAL 46 1HG2 VAL 46 6.718 -8.467 -1.134 346 HG23 VAL 46 2HG2 VAL 46 5.880 -7.225 -0.204 347 H PHE 47 H PHE 47 2.925 -10.178 2.310 348 HA PHE 47 HA PHE 47 0.882 -11.317 0.598 349 HB2 PHE 47 2HB PHE 47 1.710 -13.071 1.780 350 HB3 PHE 47 3HB PHE 47 2.206 -12.058 3.132 351 HD1 PHE 47 HD2 PHE 47 -0.626 -13.854 1.613 352 HD2 PHE 47 HD1 PHE 47 0.816 -11.764 5.029 353 HE1 PHE 47 HE2 PHE 47 -2.561 -14.645 2.910 354 HE2 PHE 47 HE1 PHE 47 -1.116 -12.554 6.332 355 HZ PHE 47 HZ PHE 47 -2.809 -13.995 5.272 356 H GLY 48 H GLY 48 1.126 -9.007 3.150 357 HA2 GLY 48 2HA GLY 48 -1.551 -9.142 4.094 358 HA3 GLY 48 3HA GLY 48 -0.445 -7.794 4.312 359 H ILE 49 H ILE 49 -0.328 -8.104 1.144 360 HA ILE 49 HA ILE 49 -2.372 -6.069 0.725 361 HB ILE 49 HB ILE 49 -0.389 -7.077 -1.308 362 HG12 ILE 49 2HG1 ILE 49 -0.053 -4.776 0.628 363 HG13 ILE 49 3HG1 ILE 49 0.789 -6.318 0.733 364 HG21 ILE 49 1HG2 ILE 49 -2.009 -4.550 -1.056 365 HG22 ILE 49 2HG2 ILE 49 -0.729 -4.789 -2.244 366 HG23 ILE 49 3HG2 ILE 49 -2.167 -5.808 -2.281 367 HD11 ILE 49 3HD1 ILE 49 1.189 -5.258 -1.869 368 HD12 ILE 49 1HD1 ILE 49 1.537 -3.998 -0.686 369 HD13 ILE 49 2HD1 ILE 49 2.373 -5.549 -0.595 370 H LEU 50 H LEU 50 -1.949 -9.407 0.281 371 HA LEU 50 HA LEU 50 -3.698 -9.666 -1.999 372 HB2 LEU 50 2HB LEU 50 -3.086 -11.968 -0.224 373 HB3 LEU 50 3HB LEU 50 -3.191 -11.896 -1.981 374 HG LEU 50 HG LEU 50 -0.892 -10.937 -0.279 375 HD11 LEU 50 1HD1 LEU 50 -1.310 -13.322 -2.054 376 HD12 LEU 50 2HD1 LEU 50 -0.802 -13.281 -0.366 377 HD13 LEU 50 3HD1 LEU 50 0.297 -12.730 -1.631 378 HD21 LEU 50 3HD2 LEU 50 -0.200 -11.082 -3.005 379 HD22 LEU 50 1HD2 LEU 50 -0.299 -9.648 -1.983 380 HD23 LEU 50 2HD2 LEU 50 -1.706 -10.169 -2.910 381 H ASP 51 H ASP 51 -3.895 -10.635 1.428 382 HA ASP 51 HA ASP 51 -6.520 -11.520 1.439 383 HB2 ASP 51 2HB ASP 51 -6.399 -11.493 3.757 384 HB3 ASP 51 3HB ASP 51 -4.696 -11.540 3.308 385 H GLN 52 H GLN 52 -8.266 -10.331 2.848 386 HA GLN 52 HA GLN 52 -8.405 -7.481 2.290 387 HB2 GLN 52 2HB GLN 52 -10.675 -7.744 1.244 388 HB3 GLN 52 3HB GLN 52 -9.336 -8.313 0.257 389 HG2 GLN 52 2HG GLN 52 -9.848 -10.625 1.194 390 HG3 GLN 52 3HG GLN 52 -11.364 -9.927 1.762 391 HE21 GLN 52 1HE2 GLN 52 -12.994 -9.598 0.352 392 HE22 GLN 52 2HE2 GLN 52 -12.924 -9.999 -1.327 393 H ASP 53 H ASP 53 -10.158 -10.325 3.498 394 HA ASP 53 HA ASP 53 -10.583 -9.127 6.047 395 HB2 ASP 53 2HB ASP 53 -12.348 -8.097 4.405 396 HB3 ASP 53 3HB ASP 53 -13.155 -9.650 4.601 397 H LYS 54 H LYS 54 -9.373 -11.464 5.363 398 HA LYS 54 HA LYS 54 -11.325 -13.574 5.972 399 HB2 LYS 54 2HB LYS 54 -8.465 -14.032 5.156 400 HB3 LYS 54 3HB LYS 54 -9.827 -15.138 5.039 401 HG2 LYS 54 2HG LYS 54 -9.367 -12.667 3.382 402 HG3 LYS 54 3HG LYS 54 -9.239 -14.345 2.848 403 HD2 LYS 54 2HD LYS 54 -11.768 -13.071 3.889 404 HD3 LYS 54 3HD LYS 54 -11.364 -13.237 2.179 405 HE2 LYS 54 2HE LYS 54 -10.996 -15.781 3.099 406 HE3 LYS 54 3HE LYS 54 -12.343 -15.229 4.093 407 HZ1 LYS 54 3HZ LYS 54 -13.456 -16.008 2.283 408 HZ2 LYS 54 1HZ LYS 54 -12.215 -15.634 1.196 409 HZ3 LYS 54 2HZ LYS 54 -13.223 -14.409 1.781 410 H SER 55 H SER 55 -10.241 -11.664 7.933 411 HA SER 55 HA SER 55 -9.424 -11.631 10.057 412 HB2 SER 55 2HB SER 55 -10.397 -14.432 9.712 413 HB3 SER 55 3HB SER 55 -9.458 -14.049 11.154 414 HG SER 55 HG SER 55 -11.165 -13.125 11.930 415 H GLY 56 H GLY 56 -7.606 -12.199 7.740 416 HA2 GLY 56 2HA GLY 56 -5.223 -12.083 7.933 417 HA3 GLY 56 3HA GLY 56 -5.324 -13.100 9.362 418 H PHE 57 H PHE 57 -6.800 -15.215 8.552 419 HA PHE 57 HA PHE 57 -4.926 -16.614 6.875 420 HB2 PHE 57 2HB PHE 57 -7.477 -17.476 8.246 421 HB3 PHE 57 3HB PHE 57 -6.479 -18.562 7.284 422 HD1 PHE 57 HD1 PHE 57 -3.910 -18.536 7.971 423 HD2 PHE 57 HD2 PHE 57 -7.147 -17.451 10.512 424 HE1 PHE 57 HE1 PHE 57 -2.514 -19.002 9.943 425 HE2 PHE 57 HE2 PHE 57 -5.757 -17.914 12.488 426 HZ PHE 57 HZ PHE 57 -3.437 -18.691 12.205 427 H ILE 58 H ILE 58 -5.001 -16.446 4.739 428 HA ILE 58 HA ILE 58 -7.458 -15.765 3.372 429 HB ILE 58 HB ILE 58 -4.635 -16.194 2.418 430 HG12 ILE 58 2HG1 ILE 58 -6.452 -13.774 2.420 431 HG13 ILE 58 3HG1 ILE 58 -5.145 -14.071 3.561 432 HG21 ILE 58 1HG2 ILE 58 -5.966 -17.057 0.653 433 HG22 ILE 58 2HG2 ILE 58 -7.125 -15.736 0.793 434 HG23 ILE 58 3HG2 ILE 58 -5.500 -15.422 0.185 435 HD11 ILE 58 3HD1 ILE 58 -3.946 -14.283 1.074 436 HD12 ILE 58 1HD1 ILE 58 -5.064 -12.929 0.915 437 HD13 ILE 58 2HD1 ILE 58 -3.844 -12.921 2.189 438 H GLU 59 H GLU 59 -8.865 -17.440 3.313 439 HA GLU 59 HA GLU 59 -8.088 -20.151 2.936 440 HB2 GLU 59 2HB GLU 59 -10.616 -20.407 2.451 441 HB3 GLU 59 3HB GLU 59 -10.112 -19.917 4.062 442 HG2 GLU 59 2HG GLU 59 -10.820 -17.731 3.760 443 HG3 GLU 59 3HG GLU 59 -10.815 -17.869 2.003 444 H GLU 60 H GLU 60 -9.067 -21.480 1.114 445 HA GLU 60 HA GLU 60 -7.894 -20.853 -1.294 446 HB2 GLU 60 2HB GLU 60 -8.819 -23.090 -0.569 447 HB3 GLU 60 3HB GLU 60 -10.409 -22.501 -1.033 448 HG2 GLU 60 2HG GLU 60 -8.214 -22.353 -3.028 449 HG3 GLU 60 3HG GLU 60 -8.930 -23.925 -2.674 450 H GLU 61 H GLU 61 -10.947 -19.794 -0.031 451 HA GLU 61 HA GLU 61 -12.294 -19.060 -2.344 452 HB2 GLU 61 2HB GLU 61 -12.263 -17.771 0.385 453 HB3 GLU 61 3HB GLU 61 -13.374 -17.300 -0.893 454 HG2 GLU 61 2HG GLU 61 -14.267 -19.584 -0.939 455 HG3 GLU 61 3HG GLU 61 -13.180 -20.021 0.378 456 H GLU 62 H GLU 62 -10.424 -16.831 -0.276 457 HA GLU 62 HA GLU 62 -10.271 -14.867 -2.360 458 HB2 GLU 62 2HB GLU 62 -9.678 -15.015 0.470 459 HB3 GLU 62 3HB GLU 62 -8.377 -14.218 -0.403 460 HG2 GLU 62 2HG GLU 62 -9.881 -12.537 0.309 461 HG3 GLU 62 3HG GLU 62 -10.092 -12.722 -1.431 462 H LEU 63 H LEU 63 -8.363 -17.547 -1.366 463 HA LEU 63 HA LEU 63 -5.823 -16.752 -2.242 464 HB2 LEU 63 2HB LEU 63 -6.547 -18.832 -0.910 465 HB3 LEU 63 3HB LEU 63 -6.841 -19.562 -2.487 466 HG LEU 63 HG LEU 63 -4.420 -19.056 -3.027 467 HD11 LEU 63 1HD1 LEU 63 -4.599 -17.888 -0.387 468 HD12 LEU 63 2HD1 LEU 63 -3.336 -17.733 -1.607 469 HD13 LEU 63 3HD1 LEU 63 -3.315 -19.094 -0.485 470 HD21 LEU 63 3HD2 LEU 63 -3.766 -21.111 -2.251 471 HD22 LEU 63 1HD2 LEU 63 -5.517 -21.256 -2.102 472 HD23 LEU 63 2HD2 LEU 63 -4.539 -20.889 -0.681 473 H GLN 64 H GLN 64 -8.650 -17.675 -3.990 474 HA GLN 64 HA GLN 64 -7.315 -18.386 -6.423 475 HB2 GLN 64 2HB GLN 64 -9.434 -18.711 -7.332 476 HB3 GLN 64 3HB GLN 64 -9.685 -19.057 -5.627 477 HG2 GLN 64 2HG GLN 64 -10.410 -16.619 -5.421 478 HG3 GLN 64 3HG GLN 64 -10.499 -16.630 -7.181 479 HE21 GLN 64 1HE2 GLN 64 -11.400 -18.929 -4.630 480 HE22 GLN 64 2HE2 GLN 64 -13.027 -19.150 -5.167 481 H LEU 65 H LEU 65 -7.337 -15.557 -4.923 482 HA LEU 65 HA LEU 65 -7.650 -13.975 -7.387 483 HB2 LEU 65 2HB LEU 65 -7.584 -12.840 -4.611 484 HB3 LEU 65 3HB LEU 65 -8.188 -12.094 -6.089 485 HG LEU 65 HG LEU 65 -9.499 -14.412 -4.670 486 HD11 LEU 65 1HD1 LEU 65 -11.161 -12.803 -3.935 487 HD12 LEU 65 2HD1 LEU 65 -10.262 -11.495 -4.702 488 HD13 LEU 65 3HD1 LEU 65 -9.564 -12.358 -3.332 489 HD21 LEU 65 3HD2 LEU 65 -11.289 -13.028 -6.325 490 HD22 LEU 65 1HD2 LEU 65 -10.641 -14.652 -6.557 491 HD23 LEU 65 2HD2 LEU 65 -9.826 -13.266 -7.281 492 H PHE 66 H PHE 66 -5.300 -15.551 -6.260 493 HA PHE 66 HA PHE 66 -3.317 -13.722 -5.428 494 HB2 PHE 66 2HB PHE 66 -3.050 -16.097 -5.025 495 HB3 PHE 66 3HB PHE 66 -3.068 -16.429 -6.754 496 HD1 PHE 66 HD1 PHE 66 -1.110 -15.072 -3.971 497 HD2 PHE 66 HD2 PHE 66 -1.130 -16.044 -8.114 498 HE1 PHE 66 HE1 PHE 66 1.339 -14.841 -4.033 499 HE2 PHE 66 HE2 PHE 66 1.318 -15.816 -8.184 500 HZ PHE 66 HZ PHE 66 2.556 -15.214 -6.142 501 H LEU 67 H LEU 67 -4.574 -14.578 -8.540 502 HA LEU 67 HA LEU 67 -2.353 -13.526 -10.036 503 HB2 LEU 67 2HB LEU 67 -5.039 -14.633 -10.677 504 HB3 LEU 67 3HB LEU 67 -4.233 -13.638 -11.889 505 HG LEU 67 HG LEU 67 -3.085 -16.151 -10.675 506 HD11 LEU 67 1HD1 LEU 67 -4.972 -15.732 -12.835 507 HD12 LEU 67 2HD1 LEU 67 -4.469 -17.226 -12.046 508 HD13 LEU 67 3HD1 LEU 67 -3.512 -16.564 -13.371 509 HD21 LEU 67 3HD2 LEU 67 -1.621 -15.869 -12.798 510 HD22 LEU 67 1HD2 LEU 67 -1.251 -14.919 -11.359 511 HD23 LEU 67 2HD2 LEU 67 -2.118 -14.179 -12.705 512 H LYS 68 H LYS 68 -5.132 -12.235 -8.522 513 HA LYS 68 HA LYS 68 -5.292 -9.881 -10.199 514 HB2 LYS 68 2HB LYS 68 -6.618 -10.090 -7.523 515 HB3 LYS 68 3HB LYS 68 -7.185 -9.296 -8.987 516 HG2 LYS 68 2HG LYS 68 -7.145 -11.842 -9.837 517 HG3 LYS 68 3HG LYS 68 -7.458 -12.098 -8.119 518 HD2 LYS 68 2HD LYS 68 -9.589 -11.910 -9.053 519 HD3 LYS 68 3HD LYS 68 -9.277 -10.303 -8.392 520 HE2 LYS 68 2HE LYS 68 -9.074 -9.344 -10.456 521 HE3 LYS 68 3HE LYS 68 -8.484 -10.826 -11.207 522 HZ1 LYS 68 3HZ LYS 68 -10.805 -11.705 -10.911 523 HZ2 LYS 68 1HZ LYS 68 -10.636 -10.462 -12.046 524 HZ3 LYS 68 2HZ LYS 68 -11.279 -10.129 -10.518 525 H ASN 69 H ASN 69 -3.527 -10.899 -7.462 526 HA ASN 69 HA ASN 69 -3.046 -8.229 -6.446 527 HB2 ASN 69 2HB ASN 69 -1.762 -10.859 -5.674 528 HB3 ASN 69 3HB ASN 69 -1.610 -9.338 -4.800 529 HD21 ASN 69 1HD2 ASN 69 -4.062 -8.359 -4.644 530 HD22 ASN 69 2HD2 ASN 69 -5.128 -9.442 -3.821 531 H PHE 70 H PHE 70 -2.002 -9.812 -9.085 532 HA PHE 70 HA PHE 70 0.555 -8.365 -9.082 533 HB2 PHE 70 2HB PHE 70 0.095 -11.207 -10.000 534 HB3 PHE 70 3HB PHE 70 1.535 -10.275 -10.398 535 HD1 PHE 70 HD2 PHE 70 -0.464 -11.412 -7.470 536 HD2 PHE 70 HD1 PHE 70 3.368 -10.373 -9.004 537 HE1 PHE 70 HE2 PHE 70 0.571 -12.118 -5.353 538 HE2 PHE 70 HE1 PHE 70 4.410 -11.079 -6.889 539 HZ PHE 70 HZ PHE 70 3.011 -11.951 -5.060 540 H SER 71 H SER 71 -2.001 -9.899 -10.977 541 HA SER 71 HA SER 71 -1.274 -8.187 -13.258 542 HB2 SER 71 2HB SER 71 -1.463 -10.817 -13.393 543 HB3 SER 71 3HB SER 71 -3.187 -10.472 -13.527 544 HG SER 71 HG SER 71 -1.200 -9.289 -15.170 545 H SER 72 H SER 72 -3.075 -7.327 -14.542 546 HA SER 72 HA SER 72 -5.402 -6.695 -12.846 547 HB2 SER 72 2HB SER 72 -3.704 -4.824 -13.435 548 HB3 SER 72 3HB SER 72 -4.424 -4.889 -15.044 549 HG SER 72 HG SER 72 -6.420 -4.390 -14.126 550 H SER 73 H SER 73 -4.471 -8.411 -15.472 551 HA SER 73 HA SER 73 -6.973 -7.941 -16.944 552 HB2 SER 73 2HB SER 73 -4.792 -7.760 -18.191 553 HB3 SER 73 3HB SER 73 -4.548 -9.480 -17.893 554 HG SER 73 HG SER 73 -5.971 -8.329 -19.819 555 H ALA 74 H ALA 74 -5.147 -10.296 -15.156 556 HA ALA 74 HA ALA 74 -6.422 -12.651 -15.953 557 HB1 ALA 74 1HB ALA 74 -4.406 -12.677 -14.612 558 HB2 ALA 74 2HB ALA 74 -5.266 -11.939 -13.260 559 HB3 ALA 74 3HB ALA 74 -5.688 -13.567 -13.790 560 H ARG 75 H ARG 75 -7.615 -13.903 -13.932 561 HA ARG 75 HA ARG 75 -9.865 -12.205 -13.097 562 HB2 ARG 75 2HB ARG 75 -11.139 -14.547 -13.510 563 HB3 ARG 75 3HB ARG 75 -11.053 -13.263 -14.708 564 HG2 ARG 75 2HG ARG 75 -9.562 -14.392 -16.019 565 HG3 ARG 75 3HG ARG 75 -8.886 -15.295 -14.662 566 HD2 ARG 75 2HD ARG 75 -11.686 -15.907 -15.071 567 HD3 ARG 75 3HD ARG 75 -10.734 -16.212 -16.524 568 HE ARG 75 HE ARG 75 -9.553 -17.287 -14.138 569 HH11 ARG 75 1HH1 ARG 75 -11.847 -17.856 -16.695 570 HH12 ARG 75 2HH1 ARG 75 -11.768 -19.582 -16.559 571 HH21 ARG 75 1HH2 ARG 75 -9.440 -19.557 -13.949 572 HH22 ARG 75 2HH2 ARG 75 -10.399 -20.548 -14.996 573 H VAL 76 H VAL 76 -9.021 -15.652 -12.780 574 HA VAL 76 HA VAL 76 -8.399 -15.398 -9.991 575 HB VAL 76 HB VAL 76 -10.256 -17.111 -9.391 576 HG11 VAL 76 1HG1 VAL 76 -9.957 -14.577 -8.793 577 HG12 VAL 76 2HG1 VAL 76 -11.354 -14.378 -9.853 578 HG13 VAL 76 3HG1 VAL 76 -11.466 -15.413 -8.429 579 HG21 VAL 76 3HG2 VAL 76 -11.634 -15.715 -11.677 580 HG22 VAL 76 1HG2 VAL 76 -10.969 -17.344 -11.788 581 HG23 VAL 76 2HG2 VAL 76 -12.273 -17.000 -10.652 582 H LEU 77 H LEU 77 -7.547 -17.314 -9.090 583 HA LEU 77 HA LEU 77 -6.062 -18.922 -10.782 584 HB2 LEU 77 2HB LEU 77 -7.042 -19.637 -8.022 585 HB3 LEU 77 3HB LEU 77 -5.669 -20.358 -8.860 586 HG LEU 77 HG LEU 77 -5.902 -17.645 -7.608 587 HD11 LEU 77 1HD1 LEU 77 -3.555 -18.461 -6.853 588 HD12 LEU 77 2HD1 LEU 77 -4.153 -20.051 -7.327 589 HD13 LEU 77 3HD1 LEU 77 -4.998 -19.125 -6.086 590 HD21 LEU 77 3HD2 LEU 77 -3.862 -18.508 -9.656 591 HD22 LEU 77 1HD2 LEU 77 -3.771 -17.046 -8.672 592 HD23 LEU 77 2HD2 LEU 77 -5.070 -17.236 -9.851 593 H THR 78 H THR 78 -6.199 -21.337 -10.958 594 HA THR 78 HA THR 78 -8.985 -22.248 -11.238 595 HB THR 78 HB THR 78 -7.931 -21.609 -13.451 596 HG1 THR 78 HG1 THR 78 -8.921 -23.328 -14.433 597 HG21 THR 78 3HG2 THR 78 -5.690 -22.699 -12.681 598 HG22 THR 78 1HG2 THR 78 -6.183 -22.821 -14.369 599 HG23 THR 78 2HG2 THR 78 -6.422 -24.187 -13.280 600 H SER 79 H SER 79 -8.472 -24.800 -12.163 601 HA SER 79 HA SER 79 -7.688 -26.104 -9.739 602 HB2 SER 79 2HB SER 79 -8.134 -27.526 -12.352 603 HB3 SER 79 3HB SER 79 -8.479 -28.087 -10.715 604 HG SER 79 HG SER 79 -10.261 -26.839 -10.646 605 H ALA 80 H ALA 80 -5.485 -24.858 -10.156 606 HA ALA 80 HA ALA 80 -3.505 -26.816 -10.454 607 HB1 ALA 80 1HB ALA 80 -2.838 -25.087 -12.647 608 HB2 ALA 80 2HB ALA 80 -2.975 -26.845 -12.609 609 HB3 ALA 80 3HB ALA 80 -4.400 -25.856 -12.929 610 H GLU 81 H GLU 81 -4.308 -23.392 -10.695 611 HA GLU 81 HA GLU 81 -1.687 -22.564 -9.792 612 HB2 GLU 81 2HB GLU 81 -4.179 -20.884 -10.097 613 HB3 GLU 81 3HB GLU 81 -2.522 -20.309 -9.984 614 HG2 GLU 81 2HG GLU 81 -2.066 -21.569 -12.118 615 HG3 GLU 81 3HG GLU 81 -3.808 -21.798 -12.251 616 H THR 82 H THR 82 -4.995 -22.566 -8.503 617 HA THR 82 HA THR 82 -4.293 -21.475 -5.978 618 HB THR 82 HB THR 82 -6.650 -23.183 -5.908 619 HG1 THR 82 HG1 THR 82 -7.789 -21.851 -7.476 620 HG21 THR 82 3HG2 THR 82 -6.905 -20.248 -5.882 621 HG22 THR 82 1HG2 THR 82 -5.818 -20.923 -4.669 622 HG23 THR 82 2HG2 THR 82 -7.500 -21.449 -4.735 623 H LYS 83 H LYS 83 -4.481 -24.735 -7.252 624 HA LYS 83 HA LYS 83 -4.271 -26.047 -4.724 625 HB2 LYS 83 2HB LYS 83 -3.624 -27.121 -7.475 626 HB3 LYS 83 3HB LYS 83 -3.906 -28.075 -6.024 627 HG2 LYS 83 2HG LYS 83 -6.022 -26.214 -7.007 628 HG3 LYS 83 3HG LYS 83 -5.796 -27.784 -7.781 629 HD2 LYS 83 2HD LYS 83 -6.090 -28.895 -5.623 630 HD3 LYS 83 3HD LYS 83 -6.298 -27.327 -4.839 631 HE2 LYS 83 2HE LYS 83 -8.338 -26.930 -5.969 632 HE3 LYS 83 3HE LYS 83 -8.060 -28.261 -7.091 633 HZ1 LYS 83 3HZ LYS 83 -8.610 -28.503 -4.183 634 HZ2 LYS 83 1HZ LYS 83 -8.259 -29.799 -5.211 635 HZ3 LYS 83 2HZ LYS 83 -9.671 -28.896 -5.441 636 H ALA 84 H ALA 84 -1.961 -25.380 -7.346 637 HA ALA 84 HA ALA 84 0.273 -26.502 -6.001 638 HB1 ALA 84 1HB ALA 84 0.505 -24.379 -8.103 639 HB2 ALA 84 2HB ALA 84 1.560 -25.758 -7.791 640 HB3 ALA 84 3HB ALA 84 -0.031 -26.010 -8.509 641 H PHE 85 H PHE 85 -1.468 -23.701 -5.429 642 HA PHE 85 HA PHE 85 0.835 -22.293 -4.277 643 HB2 PHE 85 2HB PHE 85 -0.721 -21.077 -5.847 644 HB3 PHE 85 3HB PHE 85 -1.976 -21.241 -4.623 645 HD1 PHE 85 HD1 PHE 85 1.387 -19.819 -5.247 646 HD2 PHE 85 HD2 PHE 85 -2.132 -19.723 -2.855 647 HE1 PHE 85 HE1 PHE 85 2.185 -17.760 -4.162 648 HE2 PHE 85 HE2 PHE 85 -1.340 -17.664 -1.766 649 HZ PHE 85 HZ PHE 85 0.821 -16.679 -2.420 650 H LEU 86 H LEU 86 -2.465 -23.332 -3.469 651 HA LEU 86 HA LEU 86 -2.301 -22.615 -0.730 652 HB2 LEU 86 2HB LEU 86 -4.360 -23.129 -2.231 653 HB3 LEU 86 3HB LEU 86 -4.078 -24.798 -1.742 654 HG LEU 86 HG LEU 86 -4.359 -22.676 0.344 655 HD11 LEU 86 1HD1 LEU 86 -6.847 -24.032 -0.224 656 HD12 LEU 86 2HD1 LEU 86 -6.310 -23.060 -1.593 657 HD13 LEU 86 3HD1 LEU 86 -6.521 -22.311 -0.011 658 HD21 LEU 86 3HD2 LEU 86 -4.552 -24.408 1.752 659 HD22 LEU 86 1HD2 LEU 86 -3.854 -25.356 0.439 660 HD23 LEU 86 2HD2 LEU 86 -5.604 -25.307 0.657 661 H ALA 87 H ALA 87 -2.120 -25.786 -2.351 662 HA ALA 87 HA ALA 87 -1.465 -27.238 -0.019 663 HB1 ALA 87 1HB ALA 87 -0.879 -29.054 -1.529 664 HB2 ALA 87 2HB ALA 87 -2.387 -28.289 -2.029 665 HB3 ALA 87 3HB ALA 87 -0.892 -27.940 -2.896 666 H ALA 88 H ALA 88 0.356 -25.087 -1.890 667 HA ALA 88 HA ALA 88 2.910 -26.277 -1.081 668 HB1 ALA 88 1HB ALA 88 3.951 -24.749 -2.637 669 HB2 ALA 88 2HB ALA 88 2.637 -25.609 -3.439 670 HB3 ALA 88 3HB ALA 88 2.410 -23.939 -2.918 671 H GLY 89 H GLY 89 0.791 -23.605 -0.435 672 HA2 GLY 89 2HA GLY 89 2.841 -22.228 1.141 673 HA3 GLY 89 3HA GLY 89 1.251 -21.598 0.735 674 H ASP 90 H ASP 90 -0.537 -23.267 1.637 675 HA ASP 90 HA ASP 90 -0.669 -22.877 4.366 676 HB2 ASP 90 2HB ASP 90 -2.705 -23.392 3.352 677 HB3 ASP 90 3HB ASP 90 -2.046 -24.795 2.515 678 H THR 91 H THR 91 0.904 -23.516 5.714 679 HA THR 91 HA THR 91 1.961 -26.241 5.490 680 HB THR 91 HB THR 91 3.699 -25.495 7.086 681 HG1 THR 91 HG1 THR 91 2.910 -22.827 6.760 682 HG21 THR 91 3HG2 THR 91 4.251 -23.376 5.347 683 HG22 THR 91 1HG2 THR 91 3.298 -24.517 4.401 684 HG23 THR 91 2HG2 THR 91 4.784 -25.049 5.188 685 H ASP 92 H ASP 92 0.144 -24.139 7.610 686 HA ASP 92 HA ASP 92 0.260 -25.742 9.937 687 HB2 ASP 92 2HB ASP 92 -0.567 -23.269 9.571 688 HB3 ASP 92 3HB ASP 92 -2.130 -24.046 9.332 689 H GLY 93 H GLY 93 -1.761 -25.803 7.083 690 HA2 GLY 93 2HA GLY 93 -2.997 -27.619 6.299 691 HA3 GLY 93 3HA GLY 93 -2.748 -28.423 7.842 692 H ASP 94 H ASP 94 -4.319 -25.420 6.726 693 HA ASP 94 HA ASP 94 -6.763 -26.296 8.105 694 HB2 ASP 94 2HB ASP 94 -7.098 -24.194 9.132 695 HB3 ASP 94 3HB ASP 94 -5.405 -24.580 9.425 696 H GLY 95 H GLY 95 -5.497 -25.715 5.238 697 HA2 GLY 95 2HA GLY 95 -6.616 -25.500 3.206 698 HA3 GLY 95 3HA GLY 95 -8.055 -24.996 4.080 699 H LYS 96 H LYS 96 -6.227 -23.008 5.538 700 HA LYS 96 HA LYS 96 -6.333 -20.958 3.429 701 HB2 LYS 96 2HB LYS 96 -6.200 -20.363 6.372 702 HB3 LYS 96 3HB LYS 96 -6.798 -19.344 5.069 703 HG2 LYS 96 2HG LYS 96 -8.639 -21.092 4.786 704 HG3 LYS 96 3HG LYS 96 -8.125 -21.700 6.362 705 HD2 LYS 96 2HD LYS 96 -8.380 -19.263 7.150 706 HD3 LYS 96 3HD LYS 96 -9.305 -19.029 5.664 707 HE2 LYS 96 2HE LYS 96 -9.980 -21.321 7.447 708 HE3 LYS 96 3HE LYS 96 -10.494 -19.700 7.910 709 HZ1 LYS 96 3HZ LYS 96 -12.236 -20.693 6.665 710 HZ2 LYS 96 1HZ LYS 96 -11.187 -21.159 5.422 711 HZ3 LYS 96 2HZ LYS 96 -11.529 -19.521 5.670 712 H ILE 97 H ILE 97 -4.771 -19.028 4.135 713 HA ILE 97 HA ILE 97 -2.185 -20.093 4.997 714 HB ILE 97 HB ILE 97 -2.686 -18.719 2.362 715 HG12 ILE 97 2HG1 ILE 97 -1.299 -21.306 3.099 716 HG13 ILE 97 3HG1 ILE 97 -2.900 -21.165 2.381 717 HG21 ILE 97 1HG2 ILE 97 -0.206 -18.694 2.114 718 HG22 ILE 97 2HG2 ILE 97 -0.820 -17.584 3.338 719 HG23 ILE 97 3HG2 ILE 97 -0.081 -19.110 3.823 720 HD11 ILE 97 3HD1 ILE 97 -0.287 -20.387 1.110 721 HD12 ILE 97 1HD1 ILE 97 -1.294 -21.776 0.700 722 HD13 ILE 97 2HD1 ILE 97 -1.878 -20.140 0.390 723 H GLY 98 H GLY 98 -1.330 -18.790 6.471 724 HA2 GLY 98 2HA GLY 98 -2.353 -16.061 6.715 725 HA3 GLY 98 3HA GLY 98 -1.427 -16.934 7.927 726 H VAL 99 H VAL 99 0.462 -15.999 8.282 727 HA VAL 99 HA VAL 99 1.851 -14.721 6.021 728 HB VAL 99 HB VAL 99 3.138 -13.893 8.339 729 HG11 VAL 99 1HG1 VAL 99 2.580 -11.785 7.623 730 HG12 VAL 99 2HG1 VAL 99 2.294 -12.715 6.150 731 HG13 VAL 99 3HG1 VAL 99 0.938 -12.251 7.179 732 HG21 VAL 99 3HG2 VAL 99 1.314 -13.002 9.744 733 HG22 VAL 99 1HG2 VAL 99 0.153 -13.907 8.772 734 HG23 VAL 99 2HG2 VAL 99 1.360 -14.765 9.730 735 H GLU 100 H GLU 100 2.564 -16.443 9.065 736 HA GLU 100 HA GLU 100 5.234 -17.012 8.557 737 HB2 GLU 100 2HB GLU 100 3.207 -17.883 10.424 738 HB3 GLU 100 3HB GLU 100 4.231 -19.232 9.949 739 HG2 GLU 100 2HG GLU 100 6.158 -17.513 10.437 740 HG3 GLU 100 3HG GLU 100 4.921 -16.758 11.441 741 H GLU 101 H GLU 101 2.374 -18.423 7.225 742 HA GLU 101 HA GLU 101 3.783 -20.750 6.197 743 HB2 GLU 101 2HB GLU 101 0.962 -19.940 5.523 744 HB3 GLU 101 3HB GLU 101 1.678 -21.544 5.464 745 HG2 GLU 101 2HG GLU 101 1.813 -21.599 7.886 746 HG3 GLU 101 3HG GLU 101 1.155 -19.966 7.973 747 H PHE 102 H PHE 102 2.862 -17.588 5.186 748 HA PHE 102 HA PHE 102 2.876 -18.031 2.381 749 HB2 PHE 102 2HB PHE 102 1.818 -16.063 3.489 750 HB3 PHE 102 3HB PHE 102 3.426 -15.453 3.862 751 HD1 PHE 102 HD1 PHE 102 1.165 -16.351 1.072 752 HD2 PHE 102 HD2 PHE 102 4.637 -14.211 2.292 753 HE1 PHE 102 HE1 PHE 102 1.241 -15.232 -1.118 754 HE2 PHE 102 HE2 PHE 102 4.718 -13.089 0.104 755 HZ PHE 102 HZ PHE 102 3.018 -13.598 -1.604 756 H GLN 103 H GLN 103 5.265 -16.350 4.432 757 HA GLN 103 HA GLN 103 7.274 -16.115 2.547 758 HB2 GLN 103 2HB GLN 103 8.837 -16.052 4.526 759 HB3 GLN 103 3HB GLN 103 7.486 -14.928 4.597 760 HG2 GLN 103 2HG GLN 103 6.300 -16.418 6.103 761 HG3 GLN 103 3HG GLN 103 7.618 -17.585 6.006 762 HE21 GLN 103 1HE2 GLN 103 9.812 -16.603 6.562 763 HE22 GLN 103 2HE2 GLN 103 9.854 -15.592 7.963 764 H SER 104 H SER 104 6.475 -18.838 4.627 765 HA SER 104 HA SER 104 8.749 -20.400 4.248 766 HB2 SER 104 2HB SER 104 6.833 -20.844 5.846 767 HB3 SER 104 3HB SER 104 5.938 -21.490 4.470 768 HG SER 104 HG SER 104 8.340 -22.460 5.610 769 H LEU 105 H LEU 105 6.229 -19.597 2.057 770 HA LEU 105 HA LEU 105 6.954 -21.764 0.228 771 HB2 LEU 105 2HB LEU 105 4.623 -21.551 0.428 772 HB3 LEU 105 3HB LEU 105 4.692 -19.794 0.316 773 HG LEU 105 HG LEU 105 5.577 -21.363 -2.046 774 HD11 LEU 105 1HD1 LEU 105 3.640 -22.595 -1.712 775 HD12 LEU 105 2HD1 LEU 105 3.102 -21.287 -2.765 776 HD13 LEU 105 3HD1 LEU 105 2.763 -21.223 -1.036 777 HD21 LEU 105 3HD2 LEU 105 5.074 -18.685 -1.437 778 HD22 LEU 105 1HD2 LEU 105 3.743 -19.187 -2.479 779 HD23 LEU 105 2HD2 LEU 105 5.409 -19.376 -3.025 780 H VAL 106 H VAL 106 6.711 -18.222 0.318 781 HA VAL 106 HA VAL 106 7.623 -17.665 -2.247 782 HB VAL 106 HB VAL 106 8.232 -16.017 0.209 783 HG11 VAL 106 1HG1 VAL 106 9.303 -14.776 -1.316 784 HG12 VAL 106 2HG1 VAL 106 8.547 -15.619 -2.670 785 HG13 VAL 106 3HG1 VAL 106 7.691 -14.308 -1.857 786 HG21 VAL 106 3HG2 VAL 106 5.994 -16.003 0.459 787 HG22 VAL 106 1HG2 VAL 106 6.037 -14.870 -0.892 788 HG23 VAL 106 2HG2 VAL 106 5.704 -16.577 -1.184 789 H LYS 107 H LYS 107 9.443 -18.291 0.714 790 HA LYS 107 HA LYS 107 11.998 -17.697 -0.368 791 HB2 LYS 107 2HB LYS 107 11.280 -19.487 1.962 792 HB3 LYS 107 3HB LYS 107 12.880 -18.846 1.613 793 HG2 LYS 107 2HG LYS 107 12.347 -16.742 2.324 794 HG3 LYS 107 3HG LYS 107 10.633 -16.929 1.944 795 HD2 LYS 107 2HD LYS 107 10.788 -16.909 4.306 796 HD3 LYS 107 3HD LYS 107 10.527 -18.594 3.846 797 HE2 LYS 107 2HE LYS 107 12.817 -19.127 4.188 798 HE3 LYS 107 3HE LYS 107 13.258 -17.427 4.339 799 HZ1 LYS 107 3HZ LYS 107 11.282 -18.076 6.247 800 HZ2 LYS 107 1HZ LYS 107 12.859 -17.518 6.501 801 HZ3 LYS 107 2HZ LYS 107 12.561 -19.177 6.372 802 H ALA 108 H ALA 108 9.872 -20.240 -0.926 803 HA ALA 108 HA ALA 108 11.940 -22.204 -1.511 804 HB1 ALA 108 1HB ALA 108 9.694 -22.753 -0.444 805 HB2 ALA 108 2HB ALA 108 9.003 -22.524 -2.052 806 HB3 ALA 108 3HB ALA 108 10.218 -23.775 -1.783 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.563 -0.732 -0.552 2 HA ALA 1 HA ALA 1 -0.289 -0.935 -3.475 3 HB1 ALA 1 1HB ALA 1 0.965 1.082 -1.641 4 HB2 ALA 1 2HB ALA 1 1.669 0.683 -3.208 5 HB3 ALA 1 3HB ALA 1 0.041 1.355 -3.118 6 H ILE 2 H ILE 2 1.413 -2.134 -4.216 7 HA ILE 2 HA ILE 2 2.949 -3.578 -2.165 8 HB ILE 2 HB ILE 2 1.599 -5.029 -3.573 9 HG12 ILE 2 2HG1 ILE 2 3.367 -6.539 -4.364 10 HG13 ILE 2 3HG1 ILE 2 4.538 -5.228 -4.270 11 HG21 ILE 2 1HG2 ILE 2 1.259 -4.608 -5.724 12 HG22 ILE 2 2HG2 ILE 2 2.361 -3.237 -5.615 13 HG23 ILE 2 3HG2 ILE 2 2.975 -4.828 -6.062 14 HD11 ILE 2 3HD1 ILE 2 4.332 -5.145 -1.885 15 HD12 ILE 2 1HD1 ILE 2 3.022 -6.325 -1.917 16 HD13 ILE 2 2HD1 ILE 2 4.655 -6.807 -2.378 17 H THR 3 H THR 3 3.205 -1.453 -4.873 18 HA THR 3 HA THR 3 5.820 -1.914 -5.716 19 HB THR 3 HB THR 3 5.830 0.407 -6.525 20 HG1 THR 3 HG1 THR 3 3.304 0.679 -5.238 21 HG21 THR 3 3HG2 THR 3 3.131 -0.042 -7.311 22 HG22 THR 3 1HG2 THR 3 3.936 -1.605 -7.181 23 HG23 THR 3 2HG2 THR 3 4.607 -0.351 -8.224 24 H ASP 4 H ASP 4 4.637 -0.481 -2.810 25 HA ASP 4 HA ASP 4 6.800 1.138 -2.088 26 HB2 ASP 4 2HB ASP 4 4.689 -0.323 -0.540 27 HB3 ASP 4 3HB ASP 4 6.003 0.479 0.315 28 H ILE 5 H ILE 5 6.506 -2.282 -2.235 29 HA ILE 5 HA ILE 5 9.080 -2.571 -0.826 30 HB ILE 5 HB ILE 5 7.310 -4.933 -1.203 31 HG12 ILE 5 2HG1 ILE 5 6.867 -2.795 0.891 32 HG13 ILE 5 3HG1 ILE 5 5.738 -3.277 -0.371 33 HG21 ILE 5 1HG2 ILE 5 9.612 -5.028 -0.228 34 HG22 ILE 5 2HG2 ILE 5 9.010 -4.084 1.133 35 HG23 ILE 5 3HG2 ILE 5 8.347 -5.685 0.809 36 HD11 ILE 5 3HD1 ILE 5 4.950 -4.296 1.573 37 HD12 ILE 5 1HD1 ILE 5 5.787 -5.582 0.704 38 HD13 ILE 5 2HD1 ILE 5 6.566 -4.792 2.075 39 H LEU 6 H LEU 6 7.080 -3.898 -3.449 40 HA LEU 6 HA LEU 6 9.458 -5.068 -4.678 41 HB2 LEU 6 2HB LEU 6 6.568 -5.530 -4.811 42 HB3 LEU 6 3HB LEU 6 7.386 -5.619 -6.370 43 HG LEU 6 HG LEU 6 8.788 -7.406 -5.604 44 HD11 LEU 6 1HD1 LEU 6 8.066 -6.396 -3.003 45 HD12 LEU 6 2HD1 LEU 6 9.387 -7.468 -3.468 46 HD13 LEU 6 3HD1 LEU 6 7.796 -8.136 -3.105 47 HD21 LEU 6 3HD2 LEU 6 5.968 -7.949 -4.685 48 HD22 LEU 6 1HD2 LEU 6 7.154 -9.131 -5.241 49 HD23 LEU 6 2HD2 LEU 6 6.492 -7.949 -6.370 50 H SER 7 H SER 7 9.206 -4.950 -7.259 51 HA SER 7 HA SER 7 8.854 -2.107 -7.948 52 HB2 SER 7 2HB SER 7 11.145 -3.944 -8.452 53 HB3 SER 7 3HB SER 7 10.739 -2.780 -9.712 54 HG SER 7 HG SER 7 10.829 -1.166 -7.988 55 H ALA 8 H ALA 8 7.553 -1.712 -9.617 56 HA ALA 8 HA ALA 8 5.977 -3.638 -10.831 57 HB1 ALA 8 1HB ALA 8 4.940 -1.882 -11.733 58 HB2 ALA 8 2HB ALA 8 6.107 -0.884 -10.865 59 HB3 ALA 8 3HB ALA 8 6.405 -1.331 -12.545 60 H LYS 9 H LYS 9 8.964 -2.139 -12.017 61 HA LYS 9 HA LYS 9 9.007 -3.347 -14.546 62 HB2 LYS 9 2HB LYS 9 10.535 -1.493 -13.360 63 HB3 LYS 9 3HB LYS 9 11.591 -2.884 -13.151 64 HG2 LYS 9 2HG LYS 9 12.269 -2.745 -15.252 65 HG3 LYS 9 3HG LYS 9 10.606 -2.817 -15.839 66 HD2 LYS 9 2HD LYS 9 11.472 -0.241 -14.679 67 HD3 LYS 9 3HD LYS 9 12.224 -0.699 -16.209 68 HE2 LYS 9 2HE LYS 9 10.381 0.389 -17.001 69 HE3 LYS 9 3HE LYS 9 9.722 -1.241 -16.865 70 HZ1 LYS 9 3HZ LYS 9 9.505 0.516 -14.537 71 HZ2 LYS 9 1HZ LYS 9 8.442 -0.678 -15.092 72 HZ3 LYS 9 2HZ LYS 9 8.491 0.832 -15.853 73 H ASP 10 H ASP 10 9.511 -4.666 -11.441 74 HA ASP 10 HA ASP 10 10.908 -7.005 -12.530 75 HB2 ASP 10 2HB ASP 10 11.136 -5.589 -10.091 76 HB3 ASP 10 3HB ASP 10 10.479 -7.175 -9.697 77 H ILE 11 H ILE 11 7.882 -5.947 -11.222 78 HA ILE 11 HA ILE 11 6.865 -8.569 -10.653 79 HB ILE 11 HB ILE 11 5.422 -5.934 -10.958 80 HG12 ILE 11 2HG1 ILE 11 5.853 -7.389 -8.375 81 HG13 ILE 11 3HG1 ILE 11 7.155 -6.411 -9.043 82 HG21 ILE 11 1HG2 ILE 11 4.475 -8.685 -10.343 83 HG22 ILE 11 2HG2 ILE 11 3.717 -7.327 -9.513 84 HG23 ILE 11 3HG2 ILE 11 3.699 -7.404 -11.275 85 HD11 ILE 11 3HD1 ILE 11 5.682 -5.280 -7.359 86 HD12 ILE 11 1HD1 ILE 11 5.866 -4.438 -8.898 87 HD13 ILE 11 2HD1 ILE 11 4.391 -5.345 -8.559 88 H GLU 12 H GLU 12 6.154 -6.144 -13.171 89 HA GLU 12 HA GLU 12 4.388 -7.692 -14.671 90 HB2 GLU 12 2HB GLU 12 4.651 -6.110 -16.400 91 HB3 GLU 12 3HB GLU 12 4.907 -5.211 -14.911 92 HG2 GLU 12 2HG GLU 12 7.371 -5.528 -15.264 93 HG3 GLU 12 3HG GLU 12 6.983 -6.167 -16.861 94 H SER 13 H SER 13 7.887 -7.639 -14.605 95 HA SER 13 HA SER 13 8.148 -9.317 -16.942 96 HB2 SER 13 2HB SER 13 9.912 -7.735 -16.569 97 HB3 SER 13 3HB SER 13 10.149 -8.300 -14.915 98 HG SER 13 HG SER 13 11.193 -9.254 -17.224 99 H ALA 14 H ALA 14 7.160 -9.908 -13.881 100 HA ALA 14 HA ALA 14 8.357 -12.600 -13.817 101 HB1 ALA 14 1HB ALA 14 8.174 -12.622 -11.482 102 HB2 ALA 14 2HB ALA 14 8.752 -11.000 -11.868 103 HB3 ALA 14 3HB ALA 14 7.054 -11.260 -11.469 104 H LEU 15 H LEU 15 5.542 -10.923 -14.488 105 HA LEU 15 HA LEU 15 3.596 -12.716 -13.450 106 HB2 LEU 15 2HB LEU 15 3.615 -10.496 -15.430 107 HB3 LEU 15 3HB LEU 15 2.241 -11.599 -15.424 108 HG LEU 15 HG LEU 15 3.157 -10.061 -12.999 109 HD11 LEU 15 1HD1 LEU 15 2.445 -8.291 -14.221 110 HD12 LEU 15 2HD1 LEU 15 0.873 -8.857 -13.656 111 HD13 LEU 15 3HD1 LEU 15 1.433 -9.279 -15.275 112 HD21 LEU 15 3HD2 LEU 15 0.895 -11.892 -13.635 113 HD22 LEU 15 1HD2 LEU 15 0.627 -10.564 -12.506 114 HD23 LEU 15 2HD2 LEU 15 1.871 -11.768 -12.171 115 H SER 16 H SER 16 4.720 -12.197 -16.799 116 HA SER 16 HA SER 16 3.558 -14.708 -17.637 117 HB2 SER 16 2HB SER 16 5.080 -13.841 -19.757 118 HB3 SER 16 3HB SER 16 3.390 -13.416 -19.482 119 HG SER 16 HG SER 16 4.498 -11.519 -19.734 120 H SER 17 H SER 17 6.240 -14.023 -15.957 121 HA SER 17 HA SER 17 8.339 -15.327 -17.262 122 HB2 SER 17 2HB SER 17 7.732 -14.522 -14.484 123 HB3 SER 17 3HB SER 17 8.897 -15.835 -14.651 124 HG SER 17 HG SER 17 10.109 -14.037 -14.790 125 H CYS 18 H CYS 18 5.682 -16.578 -15.346 126 HA CYS 18 HA CYS 18 6.538 -19.303 -16.058 127 HB2 CYS 18 2HB CYS 18 6.875 -18.692 -13.605 128 HB3 CYS 18 3HB CYS 18 5.121 -18.626 -13.483 129 HG CYS 18 HG CYS 18 6.111 -21.055 -12.422 130 H GLN 19 H GLN 19 4.872 -17.950 -17.705 131 HA GLN 19 HA GLN 19 2.251 -19.176 -17.154 132 HB2 GLN 19 2HB GLN 19 2.811 -16.572 -18.583 133 HB3 GLN 19 3HB GLN 19 1.229 -17.330 -18.456 134 HG2 GLN 19 2HG GLN 19 2.781 -16.680 -15.990 135 HG3 GLN 19 3HG GLN 19 1.879 -15.422 -16.833 136 HE21 GLN 19 1HE2 GLN 19 1.693 -18.278 -14.902 137 HE22 GLN 19 2HE2 GLN 19 -0.007 -18.224 -14.604 138 H ALA 20 H ALA 20 4.690 -20.086 -18.659 139 HA ALA 20 HA ALA 20 3.264 -20.894 -21.076 140 HB1 ALA 20 1HB ALA 20 4.937 -18.829 -21.330 141 HB2 ALA 20 2HB ALA 20 6.095 -20.149 -21.505 142 HB3 ALA 20 3HB ALA 20 4.712 -20.038 -22.595 143 H ALA 21 H ALA 21 5.066 -22.372 -22.355 144 HA ALA 21 HA ALA 21 5.454 -24.599 -20.574 145 HB1 ALA 21 1HB ALA 21 5.868 -25.883 -22.472 146 HB2 ALA 21 2HB ALA 21 4.719 -24.670 -23.037 147 HB3 ALA 21 3HB ALA 21 6.435 -24.497 -23.404 148 H ASP 22 H ASP 22 7.569 -22.477 -22.485 149 HA ASP 22 HA ASP 22 9.826 -23.379 -20.816 150 HB2 ASP 22 2HB ASP 22 9.905 -24.016 -23.278 151 HB3 ASP 22 3HB ASP 22 10.076 -22.297 -23.622 152 H SER 23 H SER 23 8.246 -21.366 -19.878 153 HA SER 23 HA SER 23 9.683 -18.883 -20.514 154 HB2 SER 23 2HB SER 23 7.255 -18.726 -20.715 155 HB3 SER 23 3HB SER 23 7.059 -19.310 -19.063 156 HG SER 23 HG SER 23 7.980 -16.825 -19.983 157 H PHE 24 H PHE 24 9.000 -21.165 -17.974 158 HA PHE 24 HA PHE 24 10.293 -19.494 -15.965 159 HB2 PHE 24 2HB PHE 24 8.316 -20.621 -15.205 160 HB3 PHE 24 3HB PHE 24 8.902 -22.170 -15.802 161 HD1 PHE 24 HD2 PHE 24 10.620 -19.556 -13.787 162 HD2 PHE 24 HD1 PHE 24 9.119 -23.535 -13.954 163 HE1 PHE 24 HE2 PHE 24 11.618 -20.020 -11.587 164 HE2 PHE 24 HE1 PHE 24 10.114 -24.006 -11.753 165 HZ PHE 24 HZ PHE 24 11.366 -22.248 -10.567 166 H ASN 25 H ASN 25 12.417 -19.503 -16.807 167 HA ASN 25 HA ASN 25 13.799 -22.098 -16.705 168 HB2 ASN 25 2HB ASN 25 13.930 -20.832 -18.850 169 HB3 ASN 25 3HB ASN 25 14.744 -19.527 -17.990 170 HD21 ASN 25 1HD2 ASN 25 16.670 -19.636 -19.024 171 HD22 ASN 25 2HD2 ASN 25 17.740 -20.990 -18.928 172 H TYR 26 H TYR 26 16.051 -22.039 -15.877 173 HA TYR 26 HA TYR 26 16.190 -21.208 -13.255 174 HB2 TYR 26 2HB TYR 26 18.662 -21.519 -13.466 175 HB3 TYR 26 3HB TYR 26 17.720 -22.865 -14.097 176 HD1 TYR 26 HD2 TYR 26 19.585 -19.821 -15.123 177 HD2 TYR 26 HD1 TYR 26 18.004 -23.588 -16.312 178 HE1 TYR 26 HE2 TYR 26 20.770 -19.634 -17.270 179 HE2 TYR 26 HE1 TYR 26 19.186 -23.412 -18.462 180 HH TYR 26 HH TYR 26 20.636 -20.513 -19.530 181 H LYS 27 H LYS 27 16.806 -19.394 -16.145 182 HA LYS 27 HA LYS 27 18.355 -17.310 -15.040 183 HB2 LYS 27 2HB LYS 27 16.728 -17.682 -17.506 184 HB3 LYS 27 3HB LYS 27 17.153 -16.036 -17.053 185 HG2 LYS 27 2HG LYS 27 19.356 -16.331 -17.503 186 HG3 LYS 27 3HG LYS 27 19.332 -18.040 -17.063 187 HD2 LYS 27 2HD LYS 27 18.476 -18.685 -19.136 188 HD3 LYS 27 3HD LYS 27 17.903 -17.057 -19.510 189 HE2 LYS 27 2HE LYS 27 20.400 -16.410 -19.449 190 HE3 LYS 27 3HE LYS 27 20.698 -18.142 -19.588 191 HZ1 LYS 27 3HZ LYS 27 20.124 -16.349 -21.630 192 HZ2 LYS 27 1HZ LYS 27 18.775 -17.361 -21.493 193 HZ3 LYS 27 2HZ LYS 27 20.309 -18.026 -21.750 194 H SER 28 H SER 28 14.856 -17.635 -15.559 195 HA SER 28 HA SER 28 14.040 -15.132 -14.708 196 HB2 SER 28 2HB SER 28 12.776 -17.823 -14.810 197 HB3 SER 28 3HB SER 28 11.975 -16.596 -13.828 198 HG SER 28 HG SER 28 12.182 -16.805 -16.553 199 H PHE 29 H PHE 29 14.608 -18.050 -12.770 200 HA PHE 29 HA PHE 29 13.794 -17.113 -10.295 201 HB2 PHE 29 2HB PHE 29 14.377 -19.440 -10.630 202 HB3 PHE 29 3HB PHE 29 16.050 -19.010 -10.968 203 HD1 PHE 29 HD1 PHE 29 17.464 -18.076 -9.131 204 HD2 PHE 29 HD2 PHE 29 13.616 -19.754 -8.429 205 HE1 PHE 29 HE1 PHE 29 18.010 -18.321 -6.745 206 HE2 PHE 29 HE2 PHE 29 14.155 -20.000 -6.041 207 HZ PHE 29 HZ PHE 29 16.355 -19.283 -5.196 208 H PHE 30 H PHE 30 16.644 -16.355 -12.121 209 HA PHE 30 HA PHE 30 18.067 -15.195 -9.900 210 HB2 PHE 30 2HB PHE 30 18.611 -14.923 -12.863 211 HB3 PHE 30 3HB PHE 30 19.723 -14.534 -11.556 212 HD1 PHE 30 HD1 PHE 30 18.978 -17.000 -9.859 213 HD2 PHE 30 HD2 PHE 30 20.042 -16.491 -13.948 214 HE1 PHE 30 HE1 PHE 30 19.847 -19.301 -9.915 215 HE2 PHE 30 HE2 PHE 30 20.913 -18.791 -14.011 216 HZ PHE 30 HZ PHE 30 20.815 -20.200 -11.993 217 H SER 31 H SER 31 16.386 -13.955 -12.777 218 HA SER 31 HA SER 31 16.559 -11.239 -11.715 219 HB2 SER 31 2HB SER 31 15.246 -10.891 -14.026 220 HB3 SER 31 3HB SER 31 17.002 -11.032 -13.951 221 HG SER 31 HG SER 31 16.573 -12.556 -15.376 222 H THR 32 H THR 32 14.878 -13.246 -10.433 223 HA THR 32 HA THR 32 12.176 -13.028 -11.074 224 HB THR 32 HB THR 32 13.189 -13.250 -8.243 225 HG1 THR 32 HG1 THR 32 13.530 -15.427 -8.636 226 HG21 THR 32 3HG2 THR 32 11.169 -15.009 -8.469 227 HG22 THR 32 1HG2 THR 32 10.665 -13.825 -9.674 228 HG23 THR 32 2HG2 THR 32 10.934 -13.324 -8.004 229 H VAL 33 H VAL 33 10.477 -11.857 -9.928 230 HA VAL 33 HA VAL 33 10.692 -9.127 -10.053 231 HB VAL 33 HB VAL 33 8.528 -10.180 -9.918 232 HG11 VAL 33 1HG1 VAL 33 8.325 -10.669 -7.099 233 HG12 VAL 33 2HG1 VAL 33 8.035 -11.770 -8.447 234 HG13 VAL 33 3HG1 VAL 33 9.659 -11.601 -7.778 235 HG21 VAL 33 3HG2 VAL 33 8.668 -7.855 -9.195 236 HG22 VAL 33 1HG2 VAL 33 7.428 -8.720 -8.288 237 HG23 VAL 33 2HG2 VAL 33 8.988 -8.377 -7.541 238 H GLY 34 H GLY 34 11.527 -11.240 -7.386 239 HA2 GLY 34 2HA GLY 34 13.401 -10.189 -6.031 240 HA3 GLY 34 3HA GLY 34 12.263 -8.872 -5.784 241 H LEU 35 H LEU 35 9.931 -10.484 -5.454 242 HA LEU 35 HA LEU 35 9.894 -10.868 -2.725 243 HB2 LEU 35 2HB LEU 35 8.110 -11.197 -4.854 244 HB3 LEU 35 3HB LEU 35 8.135 -12.748 -4.019 245 HG LEU 35 HG LEU 35 7.374 -10.063 -2.884 246 HD11 LEU 35 1HD1 LEU 35 5.351 -11.718 -2.313 247 HD12 LEU 35 2HD1 LEU 35 5.930 -12.472 -3.798 248 HD13 LEU 35 3HD1 LEU 35 5.438 -10.779 -3.804 249 HD21 LEU 35 3HD2 LEU 35 6.845 -11.554 -0.836 250 HD22 LEU 35 1HD2 LEU 35 8.502 -11.007 -1.094 251 HD23 LEU 35 2HD2 LEU 35 8.037 -12.651 -1.534 252 H SER 36 H SER 36 10.266 -13.377 -5.228 253 HA SER 36 HA SER 36 10.570 -15.560 -3.528 254 HB2 SER 36 2HB SER 36 12.175 -15.466 -6.044 255 HB3 SER 36 3HB SER 36 11.164 -16.761 -5.404 256 HG SER 36 HG SER 36 9.343 -15.607 -6.043 257 H SER 37 H SER 37 12.746 -12.991 -4.257 258 HA SER 37 HA SER 37 14.862 -14.367 -2.734 259 HB2 SER 37 2HB SER 37 15.175 -13.761 -5.304 260 HB3 SER 37 3HB SER 37 15.573 -12.178 -4.636 261 HG SER 37 HG SER 37 17.477 -13.078 -4.441 262 H LYS 38 H LYS 38 12.781 -12.802 -1.597 263 HA LYS 38 HA LYS 38 14.082 -10.278 -0.883 264 HB2 LYS 38 2HB LYS 38 11.310 -11.271 -0.918 265 HB3 LYS 38 3HB LYS 38 11.715 -10.282 0.479 266 HG2 LYS 38 2HG LYS 38 12.359 -9.359 -2.294 267 HG3 LYS 38 3HG LYS 38 10.748 -9.138 -1.607 268 HD2 LYS 38 2HD LYS 38 11.522 -7.707 0.060 269 HD3 LYS 38 3HD LYS 38 13.189 -8.266 -0.102 270 HE2 LYS 38 2HE LYS 38 13.519 -7.058 -2.081 271 HE3 LYS 38 3HE LYS 38 11.789 -6.841 -2.342 272 HZ1 LYS 38 3HZ LYS 38 11.695 -5.111 -0.906 273 HZ2 LYS 38 1HZ LYS 38 13.314 -4.937 -1.366 274 HZ3 LYS 38 2HZ LYS 38 12.926 -5.701 0.092 275 H THR 39 H THR 39 13.880 -9.633 1.469 276 HA THR 39 HA THR 39 15.136 -11.659 3.070 277 HB THR 39 HB THR 39 15.154 -8.875 3.070 278 HG1 THR 39 HG1 THR 39 16.604 -9.251 4.881 279 HG21 THR 39 3HG2 THR 39 14.451 -8.191 5.266 280 HG22 THR 39 1HG2 THR 39 14.005 -9.844 5.688 281 HG23 THR 39 2HG2 THR 39 13.086 -8.967 4.464 282 HA PRO 40 HA PRO 40 11.655 -13.248 5.229 283 HB2 PRO 40 2HB PRO 40 12.777 -13.831 7.631 284 HB3 PRO 40 3HB PRO 40 13.096 -14.772 6.169 285 HG2 PRO 40 2HG PRO 40 14.749 -12.622 7.437 286 HG3 PRO 40 3HG PRO 40 15.267 -14.171 6.746 287 HD2 PRO 40 2HD PRO 40 15.496 -11.830 5.406 288 HD3 PRO 40 3HD PRO 40 15.197 -13.375 4.584 289 H ASP 41 H ASP 41 10.788 -10.942 5.164 290 HA ASP 41 HA ASP 41 9.677 -10.270 7.625 291 HB2 ASP 41 2HB ASP 41 12.303 -9.393 7.523 292 HB3 ASP 41 3HB ASP 41 11.376 -7.960 7.084 293 H GLN 42 H GLN 42 10.686 -9.226 4.443 294 HA GLN 42 HA GLN 42 8.603 -7.212 4.282 295 HB2 GLN 42 2HB GLN 42 10.432 -8.180 2.084 296 HB3 GLN 42 3HB GLN 42 9.500 -6.689 2.113 297 HG2 GLN 42 2HG GLN 42 11.950 -7.398 3.682 298 HG3 GLN 42 3HG GLN 42 11.692 -6.043 2.583 299 HE21 GLN 42 1HE2 GLN 42 10.448 -4.278 3.283 300 HE22 GLN 42 2HE2 GLN 42 10.186 -3.969 4.962 301 H ILE 43 H ILE 43 9.223 -10.473 3.184 302 HA ILE 43 HA ILE 43 7.329 -10.743 1.180 303 HB ILE 43 HB ILE 43 8.095 -12.817 3.238 304 HG12 ILE 43 2HG1 ILE 43 9.234 -12.310 0.481 305 HG13 ILE 43 3HG1 ILE 43 10.007 -11.827 1.987 306 HG21 ILE 43 1HG2 ILE 43 7.543 -14.081 0.841 307 HG22 ILE 43 2HG2 ILE 43 6.511 -14.047 2.270 308 HG23 ILE 43 3HG2 ILE 43 6.274 -12.865 0.983 309 HD11 ILE 43 3HD1 ILE 43 10.658 -14.051 0.752 310 HD12 ILE 43 1HD1 ILE 43 10.621 -13.954 2.513 311 HD13 ILE 43 2HD1 ILE 43 9.271 -14.680 1.641 312 H LYS 44 H LYS 44 6.917 -11.308 4.672 313 HA LYS 44 HA LYS 44 4.263 -12.077 4.684 314 HB2 LYS 44 2HB LYS 44 4.222 -11.017 7.008 315 HB3 LYS 44 3HB LYS 44 5.435 -12.257 6.718 316 HG2 LYS 44 2HG LYS 44 7.143 -10.576 6.432 317 HG3 LYS 44 3HG LYS 44 5.943 -9.292 6.594 318 HD2 LYS 44 2HD LYS 44 7.135 -9.568 8.682 319 HD3 LYS 44 3HD LYS 44 5.456 -10.074 8.883 320 HE2 LYS 44 2HE LYS 44 6.094 -12.396 8.706 321 HE3 LYS 44 3HE LYS 44 7.761 -11.945 8.353 322 HZ1 LYS 44 3HZ LYS 44 7.950 -10.998 10.554 323 HZ2 LYS 44 1HZ LYS 44 7.461 -12.614 10.665 324 HZ3 LYS 44 2HZ LYS 44 6.336 -11.372 10.895 325 H LYS 45 H LYS 45 5.614 -8.802 4.747 326 HA LYS 45 HA LYS 45 3.210 -7.400 5.046 327 HB2 LYS 45 2HB LYS 45 5.865 -6.683 3.830 328 HB3 LYS 45 3HB LYS 45 4.527 -5.543 3.822 329 HG2 LYS 45 2HG LYS 45 4.555 -5.287 6.117 330 HG3 LYS 45 3HG LYS 45 5.376 -6.827 6.381 331 HD2 LYS 45 2HD LYS 45 7.375 -5.794 5.202 332 HD3 LYS 45 3HD LYS 45 6.538 -4.247 5.353 333 HE2 LYS 45 2HE LYS 45 6.857 -5.949 7.777 334 HE3 LYS 45 3HE LYS 45 8.259 -5.063 7.176 335 HZ1 LYS 45 3HZ LYS 45 6.354 -3.175 7.141 336 HZ2 LYS 45 1HZ LYS 45 7.435 -3.414 8.421 337 HZ3 LYS 45 2HZ LYS 45 5.881 -4.080 8.490 338 H VAL 46 H VAL 46 4.610 -8.977 2.298 339 HA VAL 46 HA VAL 46 2.973 -7.617 0.353 340 HB VAL 46 HB VAL 46 4.658 -10.110 0.081 341 HG11 VAL 46 1HG1 VAL 46 3.187 -8.448 -1.949 342 HG12 VAL 46 2HG1 VAL 46 4.508 -9.538 -2.377 343 HG13 VAL 46 3HG1 VAL 46 3.038 -10.177 -1.640 344 HG21 VAL 46 3HG2 VAL 46 6.098 -8.300 0.573 345 HG22 VAL 46 1HG2 VAL 46 6.162 -8.507 -1.178 346 HG23 VAL 46 2HG2 VAL 46 5.202 -7.204 -0.478 347 H PHE 47 H PHE 47 2.626 -10.297 2.455 348 HA PHE 47 HA PHE 47 0.590 -11.617 0.883 349 HB2 PHE 47 2HB PHE 47 1.598 -13.245 2.117 350 HB3 PHE 47 3HB PHE 47 2.014 -12.143 3.425 351 HD1 PHE 47 HD2 PHE 47 -0.854 -13.956 1.914 352 HD2 PHE 47 HD1 PHE 47 0.799 -12.160 5.401 353 HE1 PHE 47 HE2 PHE 47 -2.713 -14.854 3.253 354 HE2 PHE 47 HE1 PHE 47 -1.057 -13.055 6.746 355 HZ PHE 47 HZ PHE 47 -2.816 -14.403 5.672 356 H GLY 48 H GLY 48 0.765 -9.183 3.325 357 HA2 GLY 48 2HA GLY 48 -1.925 -9.451 4.274 358 HA3 GLY 48 3HA GLY 48 -0.851 -8.089 4.558 359 H ILE 49 H ILE 49 -0.760 -8.444 1.340 360 HA ILE 49 HA ILE 49 -2.847 -6.423 0.954 361 HB ILE 49 HB ILE 49 -0.782 -7.185 -1.093 362 HG12 ILE 49 2HG1 ILE 49 -0.486 -5.151 1.129 363 HG13 ILE 49 3HG1 ILE 49 0.416 -6.656 0.983 364 HG21 ILE 49 1HG2 ILE 49 -1.681 -4.409 -0.792 365 HG22 ILE 49 2HG2 ILE 49 -1.497 -5.393 -2.242 366 HG23 ILE 49 3HG2 ILE 49 -2.945 -5.551 -1.248 367 HD11 ILE 49 3HD1 ILE 49 0.743 -5.231 -1.434 368 HD12 ILE 49 1HD1 ILE 49 1.015 -4.106 -0.103 369 HD13 ILE 49 2HD1 ILE 49 1.949 -5.599 -0.201 370 H LEU 50 H LEU 50 -2.264 -9.703 0.450 371 HA LEU 50 HA LEU 50 -3.862 -9.959 -1.948 372 HB2 LEU 50 2HB LEU 50 -3.227 -12.317 -0.271 373 HB3 LEU 50 3HB LEU 50 -3.191 -12.133 -2.023 374 HG LEU 50 HG LEU 50 -1.100 -11.164 -0.075 375 HD11 LEU 50 1HD1 LEU 50 -1.205 -13.441 -2.034 376 HD12 LEU 50 2HD1 LEU 50 -0.899 -13.504 -0.299 377 HD13 LEU 50 3HD1 LEU 50 0.306 -12.807 -1.382 378 HD21 LEU 50 3HD2 LEU 50 -0.124 -11.081 -2.689 379 HD22 LEU 50 1HD2 LEU 50 -0.510 -9.711 -1.647 380 HD23 LEU 50 2HD2 LEU 50 -1.723 -10.339 -2.764 381 H ASP 51 H ASP 51 -4.156 -11.043 1.435 382 HA ASP 51 HA ASP 51 -6.655 -12.166 1.367 383 HB2 ASP 51 2HB ASP 51 -4.928 -11.738 3.340 384 HB3 ASP 51 3HB ASP 51 -6.022 -10.402 3.687 385 H GLN 52 H GLN 52 -8.731 -11.299 2.206 386 HA GLN 52 HA GLN 52 -9.256 -8.681 0.993 387 HB2 GLN 52 2HB GLN 52 -11.621 -9.381 0.983 388 HB3 GLN 52 3HB GLN 52 -10.592 -10.507 0.109 389 HG2 GLN 52 2HG GLN 52 -10.546 -11.707 2.472 390 HG3 GLN 52 3HG GLN 52 -12.089 -10.869 2.637 391 HE21 GLN 52 1HE2 GLN 52 -11.425 -13.738 2.376 392 HE22 GLN 52 2HE2 GLN 52 -12.353 -14.302 1.033 393 H ASP 53 H ASP 53 -9.955 -10.567 3.917 394 HA ASP 53 HA ASP 53 -10.725 -8.074 5.274 395 HB2 ASP 53 2HB ASP 53 -11.457 -10.948 5.687 396 HB3 ASP 53 3HB ASP 53 -11.524 -9.838 7.053 397 H LYS 54 H LYS 54 -8.228 -10.322 4.992 398 HA LYS 54 HA LYS 54 -6.275 -10.661 6.106 399 HB2 LYS 54 2HB LYS 54 -7.034 -7.918 7.084 400 HB3 LYS 54 3HB LYS 54 -5.565 -8.711 7.636 401 HG2 LYS 54 2HG LYS 54 -6.031 -8.563 4.712 402 HG3 LYS 54 3HG LYS 54 -5.592 -7.076 5.557 403 HD2 LYS 54 2HD LYS 54 -3.975 -9.425 6.265 404 HD3 LYS 54 3HD LYS 54 -3.813 -8.891 4.591 405 HE2 LYS 54 2HE LYS 54 -2.161 -7.830 6.069 406 HE3 LYS 54 3HE LYS 54 -3.246 -6.653 5.331 407 HZ1 LYS 54 3HZ LYS 54 -4.477 -6.499 7.361 408 HZ2 LYS 54 1HZ LYS 54 -2.841 -6.261 7.718 409 HZ3 LYS 54 2HZ LYS 54 -3.577 -7.742 8.073 410 H SER 55 H SER 55 -7.815 -12.336 7.145 411 HA SER 55 HA SER 55 -8.245 -11.842 9.990 412 HB2 SER 55 2HB SER 55 -8.928 -14.383 8.520 413 HB3 SER 55 3HB SER 55 -9.649 -13.743 9.997 414 HG SER 55 HG SER 55 -10.159 -11.883 8.394 415 H GLY 56 H GLY 56 -5.625 -12.515 8.387 416 HA2 GLY 56 2HA GLY 56 -3.613 -13.281 9.334 417 HA3 GLY 56 3HA GLY 56 -4.542 -14.189 10.518 418 H PHE 57 H PHE 57 -6.080 -14.935 7.805 419 HA PHE 57 HA PHE 57 -4.199 -16.858 6.721 420 HB2 PHE 57 2HB PHE 57 -6.803 -17.884 7.844 421 HB3 PHE 57 3HB PHE 57 -5.431 -18.817 7.255 422 HD1 PHE 57 HD1 PHE 57 -3.376 -18.979 8.597 423 HD2 PHE 57 HD2 PHE 57 -6.871 -17.045 10.068 424 HE1 PHE 57 HE1 PHE 57 -2.484 -19.115 10.887 425 HE2 PHE 57 HE2 PHE 57 -5.984 -17.177 12.359 426 HZ PHE 57 HZ PHE 57 -3.788 -18.212 12.771 427 H ILE 58 H ILE 58 -4.653 -17.416 4.643 428 HA ILE 58 HA ILE 58 -7.118 -16.282 3.494 429 HB ILE 58 HB ILE 58 -4.336 -16.492 2.408 430 HG12 ILE 58 2HG1 ILE 58 -6.411 -14.298 2.253 431 HG13 ILE 58 3HG1 ILE 58 -5.183 -14.412 3.508 432 HG21 ILE 58 1HG2 ILE 58 -5.545 -17.566 0.682 433 HG22 ILE 58 2HG2 ILE 58 -6.878 -16.420 0.804 434 HG23 ILE 58 3HG2 ILE 58 -5.322 -15.896 0.161 435 HD11 ILE 58 3HD1 ILE 58 -3.652 -14.543 1.285 436 HD12 ILE 58 1HD1 ILE 58 -4.969 -13.509 0.730 437 HD13 ILE 58 2HD1 ILE 58 -4.031 -13.056 2.154 438 H GLU 59 H GLU 59 -8.561 -17.825 3.104 439 HA GLU 59 HA GLU 59 -7.826 -20.565 2.708 440 HB2 GLU 59 2HB GLU 59 -10.526 -19.289 2.257 441 HB3 GLU 59 3HB GLU 59 -10.191 -20.994 2.526 442 HG2 GLU 59 2HG GLU 59 -10.350 -20.732 4.714 443 HG3 GLU 59 3HG GLU 59 -9.132 -19.458 4.693 444 H GLU 60 H GLU 60 -9.211 -21.669 0.795 445 HA GLU 60 HA GLU 60 -7.841 -21.015 -1.576 446 HB2 GLU 60 2HB GLU 60 -8.789 -23.269 -0.954 447 HB3 GLU 60 3HB GLU 60 -10.376 -22.642 -1.375 448 HG2 GLU 60 2HG GLU 60 -8.265 -22.344 -3.414 449 HG3 GLU 60 3HG GLU 60 -8.817 -23.984 -3.081 450 H GLU 61 H GLU 61 -10.626 -19.681 -0.167 451 HA GLU 61 HA GLU 61 -12.006 -18.890 -2.525 452 HB2 GLU 61 2HB GLU 61 -12.101 -17.683 0.246 453 HB3 GLU 61 3HB GLU 61 -13.261 -17.391 -1.042 454 HG2 GLU 61 2HG GLU 61 -13.481 -20.018 -0.965 455 HG3 GLU 61 3HG GLU 61 -12.895 -19.778 0.681 456 H GLU 62 H GLU 62 -9.763 -17.207 -0.341 457 HA GLU 62 HA GLU 62 -9.693 -14.893 -2.092 458 HB2 GLU 62 2HB GLU 62 -9.204 -15.356 0.657 459 HB3 GLU 62 3HB GLU 62 -7.688 -14.807 -0.043 460 HG2 GLU 62 2HG GLU 62 -10.195 -13.324 -0.662 461 HG3 GLU 62 3HG GLU 62 -9.419 -13.101 0.906 462 H LEU 63 H LEU 63 -8.133 -17.847 -1.901 463 HA LEU 63 HA LEU 63 -5.504 -17.035 -2.688 464 HB2 LEU 63 2HB LEU 63 -6.509 -19.301 -1.649 465 HB3 LEU 63 3HB LEU 63 -6.449 -19.755 -3.350 466 HG LEU 63 HG LEU 63 -4.021 -19.185 -3.347 467 HD11 LEU 63 1HD1 LEU 63 -4.630 -17.977 -0.916 468 HD12 LEU 63 2HD1 LEU 63 -3.029 -18.211 -1.616 469 HD13 LEU 63 3HD1 LEU 63 -3.680 -19.402 -0.491 470 HD21 LEU 63 3HD2 LEU 63 -3.598 -21.330 -2.907 471 HD22 LEU 63 1HD2 LEU 63 -5.307 -21.468 -2.493 472 HD23 LEU 63 2HD2 LEU 63 -4.114 -21.174 -1.227 473 H GLN 64 H GLN 64 -8.452 -17.923 -4.347 474 HA GLN 64 HA GLN 64 -7.326 -18.324 -6.913 475 HB2 GLN 64 2HB GLN 64 -9.524 -18.412 -7.716 476 HB3 GLN 64 3HB GLN 64 -9.654 -18.993 -6.062 477 HG2 GLN 64 2HG GLN 64 -10.416 -16.781 -5.349 478 HG3 GLN 64 3HG GLN 64 -10.303 -16.212 -7.014 479 HE21 GLN 64 1HE2 GLN 64 -11.395 -18.121 -8.486 480 HE22 GLN 64 2HE2 GLN 64 -13.041 -18.405 -8.042 481 H LEU 65 H LEU 65 -7.502 -15.573 -5.070 482 HA LEU 65 HA LEU 65 -7.711 -13.788 -7.392 483 HB2 LEU 65 2HB LEU 65 -7.511 -12.806 -4.583 484 HB3 LEU 65 3HB LEU 65 -8.315 -12.076 -5.970 485 HG LEU 65 HG LEU 65 -9.330 -14.531 -4.546 486 HD11 LEU 65 1HD1 LEU 65 -11.033 -12.948 -3.610 487 HD12 LEU 65 2HD1 LEU 65 -10.003 -11.624 -4.152 488 HD13 LEU 65 3HD1 LEU 65 -9.407 -12.770 -2.952 489 HD21 LEU 65 3HD2 LEU 65 -11.117 -12.766 -6.079 490 HD22 LEU 65 1HD2 LEU 65 -11.060 -14.527 -5.985 491 HD23 LEU 65 2HD2 LEU 65 -9.934 -13.663 -7.033 492 H PHE 66 H PHE 66 -5.367 -15.500 -6.358 493 HA PHE 66 HA PHE 66 -3.348 -13.743 -5.463 494 HB2 PHE 66 2HB PHE 66 -3.173 -16.172 -5.204 495 HB3 PHE 66 3HB PHE 66 -3.097 -16.364 -6.952 496 HD1 PHE 66 HD1 PHE 66 -1.298 -15.140 -3.987 497 HD2 PHE 66 HD2 PHE 66 -1.076 -16.000 -8.149 498 HE1 PHE 66 HE1 PHE 66 1.151 -14.924 -3.897 499 HE2 PHE 66 HE2 PHE 66 1.373 -15.787 -8.066 500 HZ PHE 66 HZ PHE 66 2.490 -15.249 -5.938 501 H LEU 67 H LEU 67 -4.730 -14.288 -8.555 502 HA LEU 67 HA LEU 67 -2.469 -13.176 -10.002 503 HB2 LEU 67 2HB LEU 67 -5.090 -14.382 -10.750 504 HB3 LEU 67 3HB LEU 67 -4.269 -13.339 -11.909 505 HG LEU 67 HG LEU 67 -3.054 -15.817 -10.691 506 HD11 LEU 67 1HD1 LEU 67 -5.100 -15.707 -12.558 507 HD12 LEU 67 2HD1 LEU 67 -4.028 -17.071 -12.246 508 HD13 LEU 67 3HD1 LEU 67 -3.638 -15.918 -13.522 509 HD21 LEU 67 3HD2 LEU 67 -1.648 -15.423 -12.891 510 HD22 LEU 67 1HD2 LEU 67 -1.237 -14.617 -11.376 511 HD23 LEU 67 2HD2 LEU 67 -2.137 -13.750 -12.621 512 H LYS 68 H LYS 68 -4.803 -11.888 -8.142 513 HA LYS 68 HA LYS 68 -5.372 -9.596 -9.867 514 HB2 LYS 68 2HB LYS 68 -6.393 -10.122 -7.074 515 HB3 LYS 68 3HB LYS 68 -7.014 -8.952 -8.230 516 HG2 LYS 68 2HG LYS 68 -7.067 -11.929 -8.660 517 HG3 LYS 68 3HG LYS 68 -8.404 -10.999 -7.981 518 HD2 LYS 68 2HD LYS 68 -7.531 -9.725 -10.376 519 HD3 LYS 68 3HD LYS 68 -7.773 -11.441 -10.708 520 HE2 LYS 68 2HE LYS 68 -9.924 -10.859 -10.980 521 HE3 LYS 68 3HE LYS 68 -9.973 -10.871 -9.218 522 HZ1 LYS 68 3HZ LYS 68 -9.010 -8.380 -10.089 523 HZ2 LYS 68 1HZ LYS 68 -10.432 -8.721 -9.237 524 HZ3 LYS 68 2HZ LYS 68 -10.438 -8.722 -10.929 525 H ASN 69 H ASN 69 -3.279 -10.556 -7.350 526 HA ASN 69 HA ASN 69 -2.782 -7.885 -6.358 527 HB2 ASN 69 2HB ASN 69 -0.922 -10.138 -5.769 528 HB3 ASN 69 3HB ASN 69 -1.524 -8.872 -4.704 529 HD21 ASN 69 1HD2 ASN 69 -4.165 -9.059 -4.812 530 HD22 ASN 69 2HD2 ASN 69 -4.711 -10.613 -4.290 531 H PHE 70 H PHE 70 -1.594 -9.937 -8.841 532 HA PHE 70 HA PHE 70 0.771 -8.224 -9.202 533 HB2 PHE 70 2HB PHE 70 0.192 -10.983 -10.300 534 HB3 PHE 70 3HB PHE 70 1.644 -10.047 -10.637 535 HD1 PHE 70 HD2 PHE 70 -0.289 -11.599 -7.878 536 HD2 PHE 70 HD1 PHE 70 3.486 -10.163 -9.221 537 HE1 PHE 70 HE2 PHE 70 0.779 -12.541 -5.872 538 HE2 PHE 70 HE1 PHE 70 4.560 -11.104 -7.217 539 HZ PHE 70 HZ PHE 70 3.206 -12.294 -5.539 540 H SER 71 H SER 71 -1.750 -9.898 -11.082 541 HA SER 71 HA SER 71 -1.460 -7.826 -13.154 542 HB2 SER 71 2HB SER 71 -2.367 -9.434 -14.741 543 HB3 SER 71 3HB SER 71 -0.995 -10.151 -13.898 544 HG SER 71 HG SER 71 -2.466 -11.259 -12.571 545 H SER 72 H SER 72 -3.448 -7.190 -14.280 546 HA SER 72 HA SER 72 -5.775 -7.245 -12.470 547 HB2 SER 72 2HB SER 72 -5.168 -5.034 -14.433 548 HB3 SER 72 3HB SER 72 -6.309 -5.012 -13.089 549 HG SER 72 HG SER 72 -3.478 -5.134 -12.902 550 H SER 73 H SER 73 -4.847 -8.836 -14.966 551 HA SER 73 HA SER 73 -7.319 -8.473 -16.529 552 HB2 SER 73 2HB SER 73 -5.150 -8.086 -17.747 553 HB3 SER 73 3HB SER 73 -4.760 -9.784 -17.472 554 HG SER 73 HG SER 73 -5.947 -10.226 -19.133 555 H ALA 74 H ALA 74 -5.141 -10.830 -15.066 556 HA ALA 74 HA ALA 74 -6.585 -13.141 -15.826 557 HB1 ALA 74 1HB ALA 74 -4.398 -13.566 -15.181 558 HB2 ALA 74 2HB ALA 74 -4.525 -12.568 -13.731 559 HB3 ALA 74 3HB ALA 74 -5.332 -14.135 -13.796 560 H ARG 75 H ARG 75 -8.662 -13.412 -15.309 561 HA ARG 75 HA ARG 75 -10.148 -12.237 -13.353 562 HB2 ARG 75 2HB ARG 75 -11.394 -14.606 -13.402 563 HB3 ARG 75 3HB ARG 75 -11.507 -13.446 -14.719 564 HG2 ARG 75 2HG ARG 75 -10.272 -14.715 -16.129 565 HG3 ARG 75 3HG ARG 75 -9.276 -15.381 -14.834 566 HD2 ARG 75 2HD ARG 75 -11.037 -16.874 -14.173 567 HD3 ARG 75 3HD ARG 75 -12.159 -16.120 -15.305 568 HE ARG 75 HE ARG 75 -11.251 -17.380 -16.988 569 HH11 ARG 75 1HH1 ARG 75 -9.121 -17.445 -14.235 570 HH12 ARG 75 2HH1 ARG 75 -8.079 -18.656 -14.905 571 HH21 ARG 75 1HH2 ARG 75 -9.887 -18.974 -17.881 572 HH22 ARG 75 2HH2 ARG 75 -8.515 -19.524 -16.980 573 H VAL 76 H VAL 76 -9.292 -15.660 -12.950 574 HA VAL 76 HA VAL 76 -8.167 -15.187 -10.329 575 HB VAL 76 HB VAL 76 -9.793 -16.894 -9.307 576 HG11 VAL 76 1HG1 VAL 76 -9.647 -14.397 -8.865 577 HG12 VAL 76 2HG1 VAL 76 -11.020 -14.229 -9.961 578 HG13 VAL 76 3HG1 VAL 76 -11.180 -15.179 -8.484 579 HG21 VAL 76 3HG2 VAL 76 -11.486 -15.939 -11.616 580 HG22 VAL 76 1HG2 VAL 76 -10.847 -17.571 -11.414 581 HG23 VAL 76 2HG2 VAL 76 -12.031 -16.940 -10.270 582 H LEU 77 H LEU 77 -7.368 -17.196 -9.330 583 HA LEU 77 HA LEU 77 -5.827 -18.717 -11.032 584 HB2 LEU 77 2HB LEU 77 -6.900 -19.555 -8.342 585 HB3 LEU 77 3HB LEU 77 -5.510 -20.258 -9.166 586 HG LEU 77 HG LEU 77 -5.753 -17.596 -7.812 587 HD11 LEU 77 1HD1 LEU 77 -3.452 -18.452 -7.003 588 HD12 LEU 77 2HD1 LEU 77 -4.012 -20.017 -7.591 589 HD13 LEU 77 3HD1 LEU 77 -4.918 -19.171 -6.337 590 HD21 LEU 77 3HD2 LEU 77 -3.683 -18.396 -9.854 591 HD22 LEU 77 1HD2 LEU 77 -3.567 -16.998 -8.786 592 HD23 LEU 77 2HD2 LEU 77 -4.850 -17.081 -9.994 593 H THR 78 H THR 78 -5.926 -21.126 -11.324 594 HA THR 78 HA THR 78 -8.691 -22.018 -11.819 595 HB THR 78 HB THR 78 -7.407 -21.358 -13.913 596 HG1 THR 78 HG1 THR 78 -8.072 -23.408 -14.961 597 HG21 THR 78 3HG2 THR 78 -5.311 -22.620 -12.912 598 HG22 THR 78 1HG2 THR 78 -5.592 -22.553 -14.651 599 HG23 THR 78 2HG2 THR 78 -6.035 -23.997 -13.741 600 H SER 79 H SER 79 -8.219 -24.560 -12.677 601 HA SER 79 HA SER 79 -7.592 -25.890 -10.220 602 HB2 SER 79 2HB SER 79 -8.159 -27.949 -11.441 603 HB3 SER 79 3HB SER 79 -9.382 -26.705 -11.697 604 HG SER 79 HG SER 79 -9.024 -27.138 -13.727 605 H ALA 80 H ALA 80 -5.328 -24.755 -10.495 606 HA ALA 80 HA ALA 80 -3.411 -26.772 -10.714 607 HB1 ALA 80 1HB ALA 80 -2.571 -25.099 -12.884 608 HB2 ALA 80 2HB ALA 80 -2.802 -26.847 -12.846 609 HB3 ALA 80 3HB ALA 80 -4.157 -25.787 -13.234 610 H GLU 81 H GLU 81 -4.094 -23.329 -10.982 611 HA GLU 81 HA GLU 81 -1.480 -22.568 -10.015 612 HB2 GLU 81 2HB GLU 81 -3.982 -20.970 -10.570 613 HB3 GLU 81 3HB GLU 81 -2.474 -20.261 -10.013 614 HG2 GLU 81 2HG GLU 81 -1.457 -21.453 -12.085 615 HG3 GLU 81 3HG GLU 81 -3.126 -21.487 -12.651 616 H THR 82 H THR 82 -4.808 -22.509 -8.777 617 HA THR 82 HA THR 82 -4.124 -21.465 -6.229 618 HB THR 82 HB THR 82 -6.516 -23.151 -6.270 619 HG1 THR 82 HG1 THR 82 -7.279 -22.515 -8.130 620 HG21 THR 82 3HG2 THR 82 -6.760 -20.235 -6.047 621 HG22 THR 82 1HG2 THR 82 -5.644 -20.964 -4.893 622 HG23 THR 82 2HG2 THR 82 -7.322 -21.505 -4.961 623 H LYS 83 H LYS 83 -4.461 -24.727 -7.510 624 HA LYS 83 HA LYS 83 -4.253 -26.046 -4.993 625 HB2 LYS 83 2HB LYS 83 -3.735 -27.086 -7.785 626 HB3 LYS 83 3HB LYS 83 -3.888 -28.082 -6.343 627 HG2 LYS 83 2HG LYS 83 -6.091 -26.240 -7.189 628 HG3 LYS 83 3HG LYS 83 -5.916 -27.849 -7.892 629 HD2 LYS 83 2HD LYS 83 -6.223 -28.901 -5.796 630 HD3 LYS 83 3HD LYS 83 -6.023 -27.381 -4.921 631 HE2 LYS 83 2HE LYS 83 -8.121 -26.585 -5.609 632 HE3 LYS 83 3HE LYS 83 -8.256 -27.792 -6.887 633 HZ1 LYS 83 3HZ LYS 83 -9.519 -28.048 -4.611 634 HZ2 LYS 83 1HZ LYS 83 -8.053 -28.742 -4.128 635 HZ3 LYS 83 2HZ LYS 83 -8.908 -29.393 -5.434 636 H ALA 84 H ALA 84 -1.943 -25.386 -7.609 637 HA ALA 84 HA ALA 84 0.266 -26.625 -6.330 638 HB1 ALA 84 1HB ALA 84 0.479 -24.431 -8.370 639 HB2 ALA 84 2HB ALA 84 1.585 -25.774 -8.077 640 HB3 ALA 84 3HB ALA 84 0.005 -26.074 -8.801 641 H PHE 85 H PHE 85 -1.399 -23.835 -5.580 642 HA PHE 85 HA PHE 85 0.958 -22.554 -4.377 643 HB2 PHE 85 2HB PHE 85 -0.477 -21.185 -5.909 644 HB3 PHE 85 3HB PHE 85 -1.799 -21.376 -4.763 645 HD1 PHE 85 HD1 PHE 85 1.416 -19.770 -5.410 646 HD2 PHE 85 HD2 PHE 85 -1.784 -20.221 -2.640 647 HE1 PHE 85 HE1 PHE 85 2.219 -17.804 -4.167 648 HE2 PHE 85 HE2 PHE 85 -0.987 -18.256 -1.394 649 HZ PHE 85 HZ PHE 85 1.016 -17.043 -2.157 650 H LEU 86 H LEU 86 -2.379 -23.527 -3.665 651 HA LEU 86 HA LEU 86 -2.258 -22.897 -0.902 652 HB2 LEU 86 2HB LEU 86 -4.274 -23.408 -2.538 653 HB3 LEU 86 3HB LEU 86 -4.065 -25.037 -1.900 654 HG LEU 86 HG LEU 86 -4.362 -22.738 -0.013 655 HD11 LEU 86 1HD1 LEU 86 -6.851 -24.111 -0.634 656 HD12 LEU 86 2HD1 LEU 86 -6.231 -23.159 -1.983 657 HD13 LEU 86 3HD1 LEU 86 -6.525 -22.390 -0.423 658 HD21 LEU 86 3HD2 LEU 86 -4.717 -24.333 1.531 659 HD22 LEU 86 1HD2 LEU 86 -3.906 -25.379 0.365 660 HD23 LEU 86 2HD2 LEU 86 -5.668 -25.334 0.432 661 H ALA 87 H ALA 87 -2.071 -26.006 -2.634 662 HA ALA 87 HA ALA 87 -1.459 -27.515 -0.301 663 HB1 ALA 87 1HB ALA 87 -0.984 -29.343 -1.844 664 HB2 ALA 87 2HB ALA 87 -2.491 -28.529 -2.269 665 HB3 ALA 87 3HB ALA 87 -1.027 -28.218 -3.202 666 H ALA 88 H ALA 88 0.360 -25.335 -2.055 667 HA ALA 88 HA ALA 88 2.897 -26.649 -1.349 668 HB1 ALA 88 1HB ALA 88 3.969 -25.309 -3.005 669 HB2 ALA 88 2HB ALA 88 2.527 -26.010 -3.740 670 HB3 ALA 88 3HB ALA 88 2.524 -24.323 -3.226 671 H GLY 89 H GLY 89 0.814 -24.056 -0.559 672 HA2 GLY 89 2HA GLY 89 2.971 -22.707 0.937 673 HA3 GLY 89 3HA GLY 89 1.483 -21.933 0.414 674 H ASP 90 H ASP 90 -0.506 -23.439 1.255 675 HA ASP 90 HA ASP 90 -0.675 -22.933 4.000 676 HB2 ASP 90 2HB ASP 90 -2.696 -23.085 2.740 677 HB3 ASP 90 3HB ASP 90 -2.309 -24.713 2.191 678 H THR 91 H THR 91 0.601 -23.862 5.466 679 HA THR 91 HA THR 91 1.167 -26.737 5.240 680 HB THR 91 HB THR 91 3.118 -26.434 6.491 681 HG1 THR 91 HG1 THR 91 3.369 -24.885 7.975 682 HG21 THR 91 3HG2 THR 91 3.285 -23.730 5.331 683 HG22 THR 91 1HG2 THR 91 2.803 -25.005 4.212 684 HG23 THR 91 2HG2 THR 91 4.326 -25.133 5.092 685 H ASP 92 H ASP 92 -0.002 -24.257 7.463 686 HA ASP 92 HA ASP 92 -0.335 -25.892 9.723 687 HB2 ASP 92 2HB ASP 92 -1.491 -24.111 10.679 688 HB3 ASP 92 3HB ASP 92 -0.483 -23.306 9.480 689 H GLY 93 H GLY 93 -2.306 -25.401 6.879 690 HA2 GLY 93 2HA GLY 93 -3.781 -27.200 6.197 691 HA3 GLY 93 3HA GLY 93 -4.146 -27.472 7.894 692 H ASP 94 H ASP 94 -6.387 -27.372 7.102 693 HA ASP 94 HA ASP 94 -8.400 -26.313 7.038 694 HB2 ASP 94 2HB ASP 94 -6.970 -23.770 7.809 695 HB3 ASP 94 3HB ASP 94 -8.652 -24.200 8.106 696 H GLY 95 H GLY 95 -6.162 -26.050 4.863 697 HA2 GLY 95 2HA GLY 95 -6.071 -25.257 2.711 698 HA3 GLY 95 3HA GLY 95 -7.792 -24.937 2.866 699 H LYS 96 H LYS 96 -5.875 -23.390 5.210 700 HA LYS 96 HA LYS 96 -6.156 -20.848 3.755 701 HB2 LYS 96 2HB LYS 96 -5.721 -21.084 6.720 702 HB3 LYS 96 3HB LYS 96 -6.403 -19.740 5.814 703 HG2 LYS 96 2HG LYS 96 -8.290 -21.412 5.226 704 HG3 LYS 96 3HG LYS 96 -7.676 -22.323 6.608 705 HD2 LYS 96 2HD LYS 96 -8.057 -19.450 7.092 706 HD3 LYS 96 3HD LYS 96 -9.540 -20.348 6.760 707 HE2 LYS 96 2HE LYS 96 -7.637 -21.580 8.659 708 HE3 LYS 96 3HE LYS 96 -8.466 -20.124 9.208 709 HZ1 LYS 96 3HZ LYS 96 -10.014 -22.302 7.979 710 HZ2 LYS 96 1HZ LYS 96 -10.508 -21.140 9.106 711 HZ3 LYS 96 2HZ LYS 96 -9.533 -22.433 9.596 712 H ILE 97 H ILE 97 -4.457 -19.344 3.766 713 HA ILE 97 HA ILE 97 -1.829 -20.476 4.479 714 HB ILE 97 HB ILE 97 -2.679 -18.866 2.099 715 HG12 ILE 97 2HG1 ILE 97 -0.908 -21.293 2.467 716 HG13 ILE 97 3HG1 ILE 97 -2.576 -21.306 1.903 717 HG21 ILE 97 1HG2 ILE 97 -0.181 -18.604 1.646 718 HG22 ILE 97 2HG2 ILE 97 -0.905 -17.526 2.838 719 HG23 ILE 97 3HG2 ILE 97 0.041 -18.917 3.367 720 HD11 ILE 97 3HD1 ILE 97 -0.164 -20.203 0.496 721 HD12 ILE 97 1HD1 ILE 97 -1.189 -21.551 0.006 722 HD13 ILE 97 2HD1 ILE 97 -1.819 -19.904 -0.033 723 H GLY 98 H GLY 98 -0.746 -19.405 5.992 724 HA2 GLY 98 2HA GLY 98 -1.600 -16.668 6.647 725 HA3 GLY 98 3HA GLY 98 -0.756 -17.761 7.733 726 H VAL 99 H VAL 99 0.359 -15.472 7.819 727 HA VAL 99 HA VAL 99 2.055 -14.543 5.857 728 HB VAL 99 HB VAL 99 3.551 -14.141 8.127 729 HG11 VAL 99 1HG1 VAL 99 2.798 -11.942 8.010 730 HG12 VAL 99 2HG1 VAL 99 2.525 -12.550 6.376 731 HG13 VAL 99 3HG1 VAL 99 1.177 -12.421 7.507 732 HG21 VAL 99 3HG2 VAL 99 2.094 -13.774 9.975 733 HG22 VAL 99 1HG2 VAL 99 0.667 -14.110 8.995 734 HG23 VAL 99 2HG2 VAL 99 1.790 -15.410 9.392 735 H GLU 100 H GLU 100 3.162 -16.549 8.594 736 HA GLU 100 HA GLU 100 5.667 -17.161 7.620 737 HB2 GLU 100 2HB GLU 100 3.899 -18.195 9.675 738 HB3 GLU 100 3HB GLU 100 4.859 -19.477 8.951 739 HG2 GLU 100 2HG GLU 100 6.823 -17.777 9.328 740 HG3 GLU 100 3HG GLU 100 5.727 -17.124 10.544 741 H GLU 101 H GLU 101 2.579 -18.607 6.822 742 HA GLU 101 HA GLU 101 3.647 -20.856 5.430 743 HB2 GLU 101 2HB GLU 101 0.926 -19.611 5.035 744 HB3 GLU 101 3HB GLU 101 1.403 -21.270 4.701 745 HG2 GLU 101 2HG GLU 101 0.717 -19.970 7.265 746 HG3 GLU 101 3HG GLU 101 0.342 -21.588 6.675 747 H PHE 102 H PHE 102 2.828 -17.573 4.559 748 HA PHE 102 HA PHE 102 2.871 -17.954 1.740 749 HB2 PHE 102 2HB PHE 102 1.752 -16.033 2.821 750 HB3 PHE 102 3HB PHE 102 3.321 -15.420 3.330 751 HD1 PHE 102 HD1 PHE 102 1.460 -16.412 0.262 752 HD2 PHE 102 HD2 PHE 102 4.427 -13.900 1.995 753 HE1 PHE 102 HE1 PHE 102 1.668 -15.195 -1.866 754 HE2 PHE 102 HE2 PHE 102 4.638 -12.679 -0.130 755 HZ PHE 102 HZ PHE 102 3.258 -13.325 -2.064 756 H GLN 103 H GLN 103 5.196 -16.224 3.823 757 HA GLN 103 HA GLN 103 7.226 -15.990 1.947 758 HB2 GLN 103 2HB GLN 103 8.753 -15.811 3.952 759 HB3 GLN 103 3HB GLN 103 7.380 -14.712 3.942 760 HG2 GLN 103 2HG GLN 103 6.213 -16.036 5.542 761 HG3 GLN 103 3HG GLN 103 7.411 -17.324 5.430 762 HE21 GLN 103 1HE2 GLN 103 7.866 -17.263 7.618 763 HE22 GLN 103 2HE2 GLN 103 8.748 -15.970 8.347 764 H SER 104 H SER 104 6.316 -18.703 3.937 765 HA SER 104 HA SER 104 8.701 -20.201 3.677 766 HB2 SER 104 2HB SER 104 7.184 -20.826 5.410 767 HB3 SER 104 3HB SER 104 5.850 -21.005 4.270 768 HG SER 104 HG SER 104 8.170 -22.572 3.993 769 H LEU 105 H LEU 105 6.303 -19.397 1.438 770 HA LEU 105 HA LEU 105 6.963 -21.689 -0.280 771 HB2 LEU 105 2HB LEU 105 4.604 -21.430 0.076 772 HB3 LEU 105 3HB LEU 105 4.681 -19.726 -0.366 773 HG LEU 105 HG LEU 105 5.486 -21.748 -2.397 774 HD11 LEU 105 1HD1 LEU 105 3.540 -22.841 -2.066 775 HD12 LEU 105 2HD1 LEU 105 2.882 -21.491 -2.991 776 HD13 LEU 105 3HD1 LEU 105 2.789 -21.482 -1.230 777 HD21 LEU 105 3HD2 LEU 105 5.246 -19.024 -2.375 778 HD22 LEU 105 1HD2 LEU 105 3.716 -19.529 -3.091 779 HD23 LEU 105 2HD2 LEU 105 5.240 -20.038 -3.819 780 H VAL 106 H VAL 106 6.749 -18.158 -0.233 781 HA VAL 106 HA VAL 106 7.560 -17.681 -2.874 782 HB VAL 106 HB VAL 106 8.138 -15.918 -0.491 783 HG11 VAL 106 1HG1 VAL 106 9.197 -14.751 -2.093 784 HG12 VAL 106 2HG1 VAL 106 8.385 -15.615 -3.400 785 HG13 VAL 106 3HG1 VAL 106 7.569 -14.282 -2.583 786 HG21 VAL 106 3HG2 VAL 106 5.916 -15.863 -0.226 787 HG22 VAL 106 1HG2 VAL 106 5.895 -14.912 -1.711 788 HG23 VAL 106 2HG2 VAL 106 5.622 -16.653 -1.775 789 H LYS 107 H LYS 107 9.433 -18.089 0.098 790 HA LYS 107 HA LYS 107 11.954 -17.427 -0.931 791 HB2 LYS 107 2HB LYS 107 11.102 -19.231 1.329 792 HB3 LYS 107 3HB LYS 107 12.794 -18.935 0.953 793 HG2 LYS 107 2HG LYS 107 11.731 -16.401 1.077 794 HG3 LYS 107 3HG LYS 107 10.874 -17.267 2.355 795 HD2 LYS 107 2HD LYS 107 12.854 -16.305 3.301 796 HD3 LYS 107 3HD LYS 107 13.084 -18.052 3.206 797 HE2 LYS 107 2HE LYS 107 15.082 -17.371 2.348 798 HE3 LYS 107 3HE LYS 107 14.136 -17.415 0.861 799 HZ1 LYS 107 3HZ LYS 107 15.419 -15.215 2.068 800 HZ2 LYS 107 1HZ LYS 107 13.757 -14.906 1.984 801 HZ3 LYS 107 2HZ LYS 107 14.619 -15.288 0.580 802 H ALA 108 H ALA 108 9.963 -20.151 -1.481 803 HA ALA 108 HA ALA 108 12.219 -21.718 -2.523 804 HB1 ALA 108 1HB ALA 108 10.668 -22.801 -0.904 805 HB2 ALA 108 2HB ALA 108 9.379 -22.633 -2.097 806 HB3 ALA 108 3HB ALA 108 10.786 -23.635 -2.454 Start of MODEL 15 1 H1 ALA 1 H ALA 1 -0.502 -0.235 -3.676 2 HA ALA 1 HA ALA 1 1.659 0.582 -3.688 3 HB1 ALA 1 1HB ALA 1 0.738 1.788 -1.873 4 HB2 ALA 1 2HB ALA 1 0.895 0.409 -0.783 5 HB3 ALA 1 3HB ALA 1 2.336 1.253 -1.351 6 H ILE 2 H ILE 2 1.819 -2.132 -4.136 7 HA ILE 2 HA ILE 2 3.710 -3.313 -2.298 8 HB ILE 2 HB ILE 2 1.999 -4.661 -3.528 9 HG12 ILE 2 2HG1 ILE 2 3.575 -6.512 -4.103 10 HG13 ILE 2 3HG1 ILE 2 4.910 -5.376 -3.941 11 HG21 ILE 2 1HG2 ILE 2 2.002 -4.950 -5.791 12 HG22 ILE 2 2HG2 ILE 2 2.617 -3.300 -5.708 13 HG23 ILE 2 3HG2 ILE 2 3.733 -4.646 -5.940 14 HD11 ILE 2 3HD1 ILE 2 4.379 -5.055 -1.599 15 HD12 ILE 2 1HD1 ILE 2 2.996 -6.139 -1.749 16 HD13 ILE 2 2HD1 ILE 2 4.633 -6.764 -1.954 17 H THR 3 H THR 3 3.815 -1.401 -5.151 18 HA THR 3 HA THR 3 6.200 -2.151 -6.338 19 HB THR 3 HB THR 3 6.346 0.074 -7.261 20 HG1 THR 3 HG1 THR 3 5.651 1.759 -6.185 21 HG21 THR 3 3HG2 THR 3 3.514 0.197 -7.372 22 HG22 THR 3 1HG2 THR 3 3.974 -1.504 -7.308 23 HG23 THR 3 2HG2 THR 3 4.627 -0.460 -8.571 24 H ASP 4 H ASP 4 5.656 -0.466 -3.351 25 HA ASP 4 HA ASP 4 8.149 0.763 -3.012 26 HB2 ASP 4 2HB ASP 4 6.038 -0.214 -1.117 27 HB3 ASP 4 3HB ASP 4 7.573 0.383 -0.492 28 H ILE 5 H ILE 5 7.252 -2.542 -2.933 29 HA ILE 5 HA ILE 5 9.874 -3.244 -1.781 30 HB ILE 5 HB ILE 5 7.692 -5.266 -1.880 31 HG12 ILE 5 2HG1 ILE 5 7.847 -3.030 0.152 32 HG13 ILE 5 3HG1 ILE 5 6.525 -3.341 -0.968 33 HG21 ILE 5 1HG2 ILE 5 9.951 -5.856 -1.142 34 HG22 ILE 5 2HG2 ILE 5 9.845 -4.649 0.138 35 HG23 ILE 5 3HG2 ILE 5 8.773 -6.049 0.155 36 HD11 ILE 5 3HD1 ILE 5 7.346 -4.936 1.432 37 HD12 ILE 5 1HD1 ILE 5 5.804 -4.143 1.110 38 HD13 ILE 5 2HD1 ILE 5 6.268 -5.577 0.193 39 H LEU 6 H LEU 6 7.414 -4.253 -4.141 40 HA LEU 6 HA LEU 6 9.381 -5.897 -5.528 41 HB2 LEU 6 2HB LEU 6 6.462 -5.723 -5.420 42 HB3 LEU 6 3HB LEU 6 7.103 -5.994 -7.039 43 HG LEU 6 HG LEU 6 8.122 -8.045 -6.375 44 HD11 LEU 6 1HD1 LEU 6 7.979 -6.880 -3.749 45 HD12 LEU 6 2HD1 LEU 6 8.944 -8.239 -4.324 46 HD13 LEU 6 3HD1 LEU 6 7.299 -8.507 -3.749 47 HD21 LEU 6 3HD2 LEU 6 5.462 -8.118 -4.994 48 HD22 LEU 6 1HD2 LEU 6 6.232 -9.353 -5.990 49 HD23 LEU 6 2HD2 LEU 6 5.583 -7.894 -6.740 50 H SER 7 H SER 7 8.981 -5.762 -8.079 51 HA SER 7 HA SER 7 9.281 -2.921 -8.808 52 HB2 SER 7 2HB SER 7 11.054 -5.154 -9.217 53 HB3 SER 7 3HB SER 7 10.551 -4.498 -10.774 54 HG SER 7 HG SER 7 11.091 -2.378 -9.679 55 H ALA 8 H ALA 8 7.951 -2.150 -10.317 56 HA ALA 8 HA ALA 8 5.816 -3.687 -11.334 57 HB1 ALA 8 1HB ALA 8 6.109 -1.395 -12.949 58 HB2 ALA 8 2HB ALA 8 5.004 -1.641 -11.596 59 HB3 ALA 8 3HB ALA 8 6.599 -0.942 -11.316 60 H LYS 9 H LYS 9 9.031 -3.356 -12.373 61 HA LYS 9 HA LYS 9 8.382 -4.177 -15.114 62 HB2 LYS 9 2HB LYS 9 10.121 -2.297 -14.329 63 HB3 LYS 9 3HB LYS 9 11.194 -3.690 -14.283 64 HG2 LYS 9 2HG LYS 9 9.542 -3.331 -16.713 65 HG3 LYS 9 3HG LYS 9 10.873 -2.201 -16.455 66 HD2 LYS 9 2HD LYS 9 12.161 -4.478 -15.932 67 HD3 LYS 9 3HD LYS 9 10.926 -5.112 -17.021 68 HE2 LYS 9 2HE LYS 9 11.639 -3.050 -18.492 69 HE3 LYS 9 3HE LYS 9 13.128 -3.176 -17.556 70 HZ1 LYS 9 3HZ LYS 9 11.986 -5.062 -19.492 71 HZ2 LYS 9 1HZ LYS 9 12.931 -5.672 -18.228 72 HZ3 LYS 9 2HZ LYS 9 13.587 -4.547 -19.307 73 H ASP 10 H ASP 10 8.938 -5.589 -12.220 74 HA ASP 10 HA ASP 10 10.328 -7.893 -13.422 75 HB2 ASP 10 2HB ASP 10 10.233 -6.991 -10.537 76 HB3 ASP 10 3HB ASP 10 10.952 -8.504 -11.081 77 H ILE 11 H ILE 11 7.513 -6.781 -11.737 78 HA ILE 11 HA ILE 11 6.523 -9.304 -10.900 79 HB ILE 11 HB ILE 11 5.067 -6.715 -11.438 80 HG12 ILE 11 2HG1 ILE 11 5.569 -7.898 -8.734 81 HG13 ILE 11 3HG1 ILE 11 6.867 -7.028 -9.545 82 HG21 ILE 11 1HG2 ILE 11 4.116 -9.329 -10.313 83 HG22 ILE 11 2HG2 ILE 11 3.317 -7.805 -9.930 84 HG23 ILE 11 3HG2 ILE 11 3.406 -8.358 -11.602 85 HD11 ILE 11 3HD1 ILE 11 5.324 -5.769 -7.910 86 HD12 ILE 11 1HD1 ILE 11 5.747 -5.012 -9.445 87 HD13 ILE 11 2HD1 ILE 11 4.171 -5.780 -9.245 88 H GLU 12 H GLU 12 5.782 -7.256 -13.716 89 HA GLU 12 HA GLU 12 4.040 -9.219 -14.876 90 HB2 GLU 12 2HB GLU 12 5.153 -6.585 -15.788 91 HB3 GLU 12 3HB GLU 12 4.312 -7.635 -16.919 92 HG2 GLU 12 2HG GLU 12 2.329 -7.587 -15.502 93 HG3 GLU 12 3HG GLU 12 3.171 -6.545 -14.356 94 H SER 13 H SER 13 7.398 -8.750 -14.790 95 HA SER 13 HA SER 13 7.858 -10.204 -17.284 96 HB2 SER 13 2HB SER 13 9.197 -8.110 -16.397 97 HB3 SER 13 3HB SER 13 10.082 -9.330 -15.482 98 HG SER 13 HG SER 13 10.130 -8.767 -18.164 99 H ALA 14 H ALA 14 7.130 -11.007 -14.221 100 HA ALA 14 HA ALA 14 8.694 -13.499 -14.364 101 HB1 ALA 14 1HB ALA 14 9.179 -13.478 -12.101 102 HB2 ALA 14 2HB ALA 14 9.358 -11.779 -12.544 103 HB3 ALA 14 3HB ALA 14 7.893 -12.329 -11.731 104 H LEU 15 H LEU 15 5.711 -12.202 -14.599 105 HA LEU 15 HA LEU 15 4.218 -14.103 -13.034 106 HB2 LEU 15 2HB LEU 15 3.631 -11.795 -14.758 107 HB3 LEU 15 3HB LEU 15 2.406 -13.063 -14.764 108 HG LEU 15 HG LEU 15 3.419 -11.736 -12.254 109 HD11 LEU 15 1HD1 LEU 15 2.342 -9.926 -13.036 110 HD12 LEU 15 2HD1 LEU 15 0.895 -10.819 -12.569 111 HD13 LEU 15 3HD1 LEU 15 1.447 -10.849 -14.244 112 HD21 LEU 15 3HD2 LEU 15 0.823 -13.183 -12.650 113 HD22 LEU 15 1HD2 LEU 15 1.676 -12.818 -11.150 114 HD23 LEU 15 2HD2 LEU 15 2.304 -14.053 -12.242 115 H SER 16 H SER 16 4.446 -13.474 -16.541 116 HA SER 16 HA SER 16 3.380 -16.108 -17.115 117 HB2 SER 16 2HB SER 16 4.150 -15.051 -19.538 118 HB3 SER 16 3HB SER 16 2.557 -14.861 -18.807 119 HG SER 16 HG SER 16 3.149 -12.818 -19.124 120 H SER 17 H SER 17 6.276 -15.183 -16.122 121 HA SER 17 HA SER 17 7.933 -16.525 -18.081 122 HB2 SER 17 2HB SER 17 8.504 -15.165 -15.451 123 HB3 SER 17 3HB SER 17 9.745 -16.061 -16.326 124 HG SER 17 HG SER 17 8.236 -13.895 -17.373 125 H CYS 18 H CYS 18 6.556 -17.171 -14.923 126 HA CYS 18 HA CYS 18 7.735 -19.869 -15.003 127 HB2 CYS 18 2HB CYS 18 7.355 -19.912 -12.538 128 HB3 CYS 18 3HB CYS 18 8.494 -18.674 -13.050 129 HG CYS 18 HG CYS 18 7.124 -16.574 -12.306 130 H GLN 19 H GLN 19 5.627 -19.675 -16.578 131 HA GLN 19 HA GLN 19 3.309 -20.584 -15.014 132 HB2 GLN 19 2HB GLN 19 3.548 -19.372 -17.759 133 HB3 GLN 19 3HB GLN 19 2.091 -20.209 -17.241 134 HG2 GLN 19 2HG GLN 19 3.288 -17.886 -15.757 135 HG3 GLN 19 3HG GLN 19 2.048 -17.721 -16.998 136 HE21 GLN 19 1HE2 GLN 19 0.348 -19.721 -16.507 137 HE22 GLN 19 2HE2 GLN 19 -0.352 -19.571 -14.935 138 H ALA 20 H ALA 20 5.846 -21.726 -16.849 139 HA ALA 20 HA ALA 20 4.358 -24.169 -17.566 140 HB1 ALA 20 1HB ALA 20 5.638 -22.569 -19.320 141 HB2 ALA 20 2HB ALA 20 6.937 -23.686 -18.902 142 HB3 ALA 20 3HB ALA 20 5.418 -24.304 -19.549 143 H ALA 21 H ALA 21 6.417 -25.876 -18.060 144 HA ALA 21 HA ALA 21 7.492 -26.286 -15.371 145 HB1 ALA 21 1HB ALA 21 7.766 -28.570 -15.946 146 HB2 ALA 21 2HB ALA 21 6.184 -28.080 -16.554 147 HB3 ALA 21 3HB ALA 21 7.546 -28.234 -17.664 148 H ASP 22 H ASP 22 8.504 -25.779 -18.685 149 HA ASP 22 HA ASP 22 11.313 -25.813 -17.795 150 HB2 ASP 22 2HB ASP 22 10.021 -26.583 -20.385 151 HB3 ASP 22 3HB ASP 22 11.682 -25.996 -20.390 152 H SER 23 H SER 23 9.140 -23.649 -17.876 153 HA SER 23 HA SER 23 10.257 -21.729 -19.742 154 HB2 SER 23 2HB SER 23 7.799 -21.868 -19.315 155 HB3 SER 23 3HB SER 23 8.092 -21.321 -17.665 156 HG SER 23 HG SER 23 7.580 -19.748 -19.536 157 H PHE 24 H PHE 24 10.090 -22.239 -16.251 158 HA PHE 24 HA PHE 24 11.301 -19.830 -15.462 159 HB2 PHE 24 2HB PHE 24 10.121 -21.788 -14.098 160 HB3 PHE 24 3HB PHE 24 11.790 -22.302 -13.871 161 HD1 PHE 24 HD2 PHE 24 13.260 -19.857 -13.545 162 HD2 PHE 24 HD1 PHE 24 9.372 -20.864 -12.134 163 HE1 PHE 24 HE2 PHE 24 13.509 -18.235 -11.711 164 HE2 PHE 24 HE1 PHE 24 9.615 -19.244 -10.298 165 HZ PHE 24 HZ PHE 24 11.685 -17.928 -10.084 166 H ASN 25 H ASN 25 13.011 -19.550 -16.997 167 HA ASN 25 HA ASN 25 15.256 -21.382 -16.906 168 HB2 ASN 25 2HB ASN 25 14.539 -20.301 -19.033 169 HB3 ASN 25 3HB ASN 25 15.003 -18.740 -18.360 170 HD21 ASN 25 1HD2 ASN 25 16.541 -18.374 -19.934 171 HD22 ASN 25 2HD2 ASN 25 18.036 -19.237 -19.990 172 H TYR 26 H TYR 26 17.465 -20.551 -16.535 173 HA TYR 26 HA TYR 26 17.814 -19.523 -14.006 174 HB2 TYR 26 2HB TYR 26 20.150 -19.192 -14.586 175 HB3 TYR 26 3HB TYR 26 19.568 -20.685 -15.314 176 HD1 TYR 26 HD2 TYR 26 20.465 -17.168 -16.015 177 HD2 TYR 26 HD1 TYR 26 19.576 -20.985 -17.670 178 HE1 TYR 26 HE2 TYR 26 21.236 -16.387 -18.216 179 HE2 TYR 26 HE1 TYR 26 20.347 -20.215 -19.875 180 HH TYR 26 HH TYR 26 20.594 -17.999 -21.068 181 H LYS 27 H LYS 27 17.330 -17.822 -17.004 182 HA LYS 27 HA LYS 27 18.246 -15.276 -16.208 183 HB2 LYS 27 2HB LYS 27 16.473 -16.324 -18.360 184 HB3 LYS 27 3HB LYS 27 16.412 -14.600 -18.017 185 HG2 LYS 27 2HG LYS 27 19.038 -14.836 -18.185 186 HG3 LYS 27 3HG LYS 27 18.603 -16.232 -19.173 187 HD2 LYS 27 2HD LYS 27 17.651 -14.946 -20.813 188 HD3 LYS 27 3HD LYS 27 17.217 -13.651 -19.695 189 HE2 LYS 27 2HE LYS 27 19.857 -13.443 -19.516 190 HE3 LYS 27 3HE LYS 27 19.772 -14.165 -21.122 191 HZ1 LYS 27 3HZ LYS 27 18.661 -12.354 -21.973 192 HZ2 LYS 27 1HZ LYS 27 19.710 -11.611 -20.874 193 HZ3 LYS 27 2HZ LYS 27 18.085 -11.843 -20.467 194 H SER 28 H SER 28 15.016 -16.752 -16.131 195 HA SER 28 HA SER 28 13.609 -14.551 -15.149 196 HB2 SER 28 2HB SER 28 12.842 -16.969 -15.956 197 HB3 SER 28 3HB SER 28 12.833 -17.278 -14.220 198 HG SER 28 HG SER 28 10.853 -16.491 -14.578 199 H PHE 29 H PHE 29 15.202 -17.196 -13.394 200 HA PHE 29 HA PHE 29 14.493 -16.395 -10.807 201 HB2 PHE 29 2HB PHE 29 15.413 -18.600 -11.233 202 HB3 PHE 29 3HB PHE 29 16.935 -17.897 -11.771 203 HD1 PHE 29 HD1 PHE 29 18.379 -16.704 -10.115 204 HD2 PHE 29 HD2 PHE 29 14.992 -19.008 -8.958 205 HE1 PHE 29 HE1 PHE 29 19.246 -16.816 -7.815 206 HE2 PHE 29 HE2 PHE 29 15.853 -19.123 -6.656 207 HZ PHE 29 HZ PHE 29 17.982 -18.026 -6.081 208 H PHE 30 H PHE 30 16.968 -15.258 -12.976 209 HA PHE 30 HA PHE 30 18.525 -13.882 -11.029 210 HB2 PHE 30 2HB PHE 30 19.492 -14.504 -13.174 211 HB3 PHE 30 3HB PHE 30 18.320 -13.500 -14.022 212 HD1 PHE 30 HD1 PHE 30 18.471 -11.053 -13.908 213 HD2 PHE 30 HD2 PHE 30 21.423 -13.563 -12.145 214 HE1 PHE 30 HE1 PHE 30 20.013 -9.141 -13.776 215 HE2 PHE 30 HE2 PHE 30 22.969 -11.654 -12.009 216 HZ PHE 30 HZ PHE 30 22.265 -9.439 -12.824 217 H SER 31 H SER 31 16.083 -12.808 -13.382 218 HA SER 31 HA SER 31 15.877 -10.271 -11.906 219 HB2 SER 31 2HB SER 31 16.429 -10.261 -14.402 220 HB3 SER 31 3HB SER 31 14.772 -10.804 -14.664 221 HG SER 31 HG SER 31 15.079 -8.486 -14.753 222 H THR 32 H THR 32 14.668 -12.524 -10.808 223 HA THR 32 HA THR 32 12.009 -12.976 -11.508 224 HB THR 32 HB THR 32 12.810 -12.982 -8.623 225 HG1 THR 32 HG1 THR 32 14.538 -14.075 -9.226 226 HG21 THR 32 3HG2 THR 32 10.829 -14.029 -8.586 227 HG22 THR 32 1HG2 THR 32 11.676 -15.401 -9.300 228 HG23 THR 32 2HG2 THR 32 10.823 -14.256 -10.335 229 H VAL 33 H VAL 33 10.080 -12.353 -10.184 230 HA VAL 33 HA VAL 33 9.522 -9.669 -10.348 231 HB VAL 33 HB VAL 33 7.709 -11.189 -10.106 232 HG11 VAL 33 1HG1 VAL 33 7.317 -12.351 -7.896 233 HG12 VAL 33 2HG1 VAL 33 8.658 -12.966 -8.864 234 HG13 VAL 33 3HG1 VAL 33 8.975 -11.923 -7.477 235 HG21 VAL 33 3HG2 VAL 33 7.686 -8.842 -8.932 236 HG22 VAL 33 1HG2 VAL 33 6.342 -9.966 -8.722 237 HG23 VAL 33 2HG2 VAL 33 7.569 -9.812 -7.464 238 H GLY 34 H GLY 34 11.033 -11.420 -7.715 239 HA2 GLY 34 2HA GLY 34 12.617 -9.942 -6.436 240 HA3 GLY 34 3HA GLY 34 11.232 -8.883 -6.213 241 H LEU 35 H LEU 35 9.235 -10.642 -5.583 242 HA LEU 35 HA LEU 35 9.502 -11.017 -2.872 243 HB2 LEU 35 2HB LEU 35 7.597 -11.667 -4.886 244 HB3 LEU 35 3HB LEU 35 7.794 -13.067 -3.834 245 HG LEU 35 HG LEU 35 6.915 -10.294 -3.048 246 HD11 LEU 35 1HD1 LEU 35 5.589 -12.942 -3.364 247 HD12 LEU 35 2HD1 LEU 35 5.025 -11.335 -3.822 248 HD13 LEU 35 3HD1 LEU 35 5.002 -11.828 -2.129 249 HD21 LEU 35 3HD2 LEU 35 6.597 -11.690 -0.801 250 HD22 LEU 35 1HD2 LEU 35 8.069 -10.787 -1.157 251 HD23 LEU 35 2HD2 LEU 35 8.013 -12.527 -1.440 252 H SER 36 H SER 36 9.731 -13.580 -5.346 253 HA SER 36 HA SER 36 10.544 -15.611 -3.592 254 HB2 SER 36 2HB SER 36 11.230 -15.386 -6.531 255 HB3 SER 36 3HB SER 36 11.162 -16.863 -5.570 256 HG SER 36 HG SER 36 9.191 -15.664 -6.891 257 H SER 37 H SER 37 12.239 -12.923 -4.830 258 HA SER 37 HA SER 37 14.809 -14.112 -4.011 259 HB2 SER 37 2HB SER 37 15.915 -12.934 -5.667 260 HB3 SER 37 3HB SER 37 14.372 -13.242 -6.464 261 HG SER 37 HG SER 37 15.265 -10.995 -6.456 262 H LYS 38 H LYS 38 12.801 -12.829 -2.300 263 HA LYS 38 HA LYS 38 14.247 -10.409 -1.465 264 HB2 LYS 38 2HB LYS 38 11.414 -11.309 -1.217 265 HB3 LYS 38 3HB LYS 38 12.065 -10.262 0.038 266 HG2 LYS 38 2HG LYS 38 12.555 -9.403 -2.738 267 HG3 LYS 38 3HG LYS 38 10.877 -9.361 -2.192 268 HD2 LYS 38 2HD LYS 38 11.431 -7.920 -0.370 269 HD3 LYS 38 3HD LYS 38 13.160 -8.119 -0.665 270 HE2 LYS 38 2HE LYS 38 12.923 -6.993 -2.820 271 HE3 LYS 38 3HE LYS 38 11.192 -6.810 -2.541 272 HZ1 LYS 38 3HZ LYS 38 11.914 -5.584 -0.432 273 HZ2 LYS 38 1HZ LYS 38 12.077 -4.778 -1.911 274 HZ3 LYS 38 2HZ LYS 38 13.432 -5.466 -1.169 275 H THR 39 H THR 39 14.026 -10.065 1.026 276 HA THR 39 HA THR 39 15.284 -12.372 2.262 277 HB THR 39 HB THR 39 15.584 -9.598 2.554 278 HG1 THR 39 HG1 THR 39 17.349 -10.832 2.846 279 HG21 THR 39 3HG2 THR 39 15.225 -9.180 4.903 280 HG22 THR 39 1HG2 THR 39 14.645 -10.827 5.148 281 HG23 THR 39 2HG2 THR 39 13.702 -9.694 4.178 282 HA PRO 40 HA PRO 40 11.836 -13.780 4.587 283 HB2 PRO 40 2HB PRO 40 13.043 -14.616 6.871 284 HB3 PRO 40 3HB PRO 40 13.186 -15.482 5.336 285 HG2 PRO 40 2HG PRO 40 15.102 -13.573 6.620 286 HG3 PRO 40 3HG PRO 40 15.434 -15.112 5.804 287 HD2 PRO 40 2HD PRO 40 15.794 -12.716 4.597 288 HD3 PRO 40 3HD PRO 40 15.306 -14.171 3.704 289 H ASP 41 H ASP 41 11.200 -11.394 4.716 290 HA ASP 41 HA ASP 41 10.351 -10.801 7.321 291 HB2 ASP 41 2HB ASP 41 12.968 -10.137 7.114 292 HB3 ASP 41 3HB ASP 41 12.223 -8.639 6.565 293 H GLN 42 H GLN 42 11.087 -9.659 4.093 294 HA GLN 42 HA GLN 42 9.081 -7.562 4.237 295 HB2 GLN 42 2HB GLN 42 10.738 -8.464 1.876 296 HB3 GLN 42 3HB GLN 42 9.785 -6.990 1.981 297 HG2 GLN 42 2HG GLN 42 12.350 -7.675 3.354 298 HG3 GLN 42 3HG GLN 42 11.960 -6.278 2.350 299 HE21 GLN 42 1HE2 GLN 42 11.148 -4.483 3.278 300 HE22 GLN 42 2HE2 GLN 42 10.845 -4.311 4.970 301 H ILE 43 H ILE 43 9.471 -10.781 2.948 302 HA ILE 43 HA ILE 43 7.425 -10.885 1.083 303 HB ILE 43 HB ILE 43 8.238 -13.075 2.998 304 HG12 ILE 43 2HG1 ILE 43 9.207 -12.502 0.190 305 HG13 ILE 43 3HG1 ILE 43 10.104 -12.118 1.655 306 HG21 ILE 43 1HG2 ILE 43 7.462 -14.206 0.592 307 HG22 ILE 43 2HG2 ILE 43 6.541 -14.199 2.096 308 HG23 ILE 43 3HG2 ILE 43 6.261 -12.948 0.885 309 HD11 ILE 43 3HD1 ILE 43 10.578 -14.306 0.299 310 HD12 ILE 43 1HD1 ILE 43 10.637 -14.297 2.061 311 HD13 ILE 43 2HD1 ILE 43 9.211 -14.918 1.229 312 H LYS 44 H LYS 44 7.244 -11.547 4.575 313 HA LYS 44 HA LYS 44 4.567 -12.213 4.760 314 HB2 LYS 44 2HB LYS 44 4.747 -11.208 7.111 315 HB3 LYS 44 3HB LYS 44 5.853 -12.512 6.701 316 HG2 LYS 44 2HG LYS 44 7.648 -10.954 6.354 317 HG3 LYS 44 3HG LYS 44 6.554 -9.587 6.578 318 HD2 LYS 44 2HD LYS 44 7.558 -9.741 8.654 319 HD3 LYS 44 3HD LYS 44 6.088 -10.689 8.892 320 HE2 LYS 44 2HE LYS 44 7.321 -12.743 8.531 321 HE3 LYS 44 3HE LYS 44 8.788 -11.831 8.179 322 HZ1 LYS 44 3HZ LYS 44 8.839 -11.032 10.423 323 HZ2 LYS 44 1HZ LYS 44 8.711 -12.719 10.460 324 HZ3 LYS 44 2HZ LYS 44 7.354 -11.760 10.778 325 H LYS 45 H LYS 45 6.058 -8.999 4.819 326 HA LYS 45 HA LYS 45 3.766 -7.498 5.355 327 HB2 LYS 45 2HB LYS 45 6.373 -6.928 4.006 328 HB3 LYS 45 3HB LYS 45 5.089 -5.729 3.912 329 HG2 LYS 45 2HG LYS 45 5.892 -6.862 6.557 330 HG3 LYS 45 3HG LYS 45 6.844 -5.579 5.806 331 HD2 LYS 45 2HD LYS 45 5.392 -4.277 6.973 332 HD3 LYS 45 3HD LYS 45 4.417 -4.508 5.520 333 HE2 LYS 45 2HE LYS 45 3.014 -6.031 6.546 334 HE3 LYS 45 3HE LYS 45 4.207 -6.460 7.771 335 HZ1 LYS 45 3HZ LYS 45 2.314 -5.095 8.593 336 HZ2 LYS 45 1HZ LYS 45 2.874 -3.814 7.640 337 HZ3 LYS 45 2HZ LYS 45 3.835 -4.418 8.894 338 H VAL 46 H VAL 46 4.728 -9.171 2.505 339 HA VAL 46 HA VAL 46 3.026 -7.668 0.720 340 HB VAL 46 HB VAL 46 4.373 -10.327 0.229 341 HG11 VAL 46 1HG1 VAL 46 3.099 -8.289 -1.579 342 HG12 VAL 46 2HG1 VAL 46 4.207 -9.530 -2.167 343 HG13 VAL 46 3HG1 VAL 46 2.690 -9.994 -1.397 344 HG21 VAL 46 3HG2 VAL 46 6.127 -8.850 0.749 345 HG22 VAL 46 1HG2 VAL 46 6.042 -8.854 -1.013 346 HG23 VAL 46 2HG2 VAL 46 5.361 -7.507 -0.099 347 H PHE 47 H PHE 47 2.977 -10.851 2.280 348 HA PHE 47 HA PHE 47 0.645 -11.841 1.113 349 HB2 PHE 47 2HB PHE 47 1.626 -13.523 2.282 350 HB3 PHE 47 3HB PHE 47 2.232 -12.439 3.530 351 HD1 PHE 47 HD2 PHE 47 -0.883 -14.060 2.318 352 HD2 PHE 47 HD1 PHE 47 1.218 -12.374 5.613 353 HE1 PHE 47 HE2 PHE 47 -2.661 -14.824 3.837 354 HE2 PHE 47 HE1 PHE 47 -0.556 -13.136 7.138 355 HZ PHE 47 HZ PHE 47 -2.499 -14.361 6.251 356 H GLY 48 H GLY 48 1.100 -9.469 3.603 357 HA2 GLY 48 2HA GLY 48 -1.569 -9.600 4.647 358 HA3 GLY 48 3HA GLY 48 -0.388 -8.336 4.958 359 H ILE 49 H ILE 49 -0.388 -8.488 1.741 360 HA ILE 49 HA ILE 49 -2.347 -6.321 1.523 361 HB ILE 49 HB ILE 49 -0.322 -7.139 -0.554 362 HG12 ILE 49 2HG1 ILE 49 -0.034 -5.022 1.589 363 HG13 ILE 49 3HG1 ILE 49 0.796 -6.574 1.587 364 HG21 ILE 49 1HG2 ILE 49 -2.007 -4.686 -0.117 365 HG22 ILE 49 2HG2 ILE 49 -0.635 -4.725 -1.223 366 HG23 ILE 49 3HG2 ILE 49 -2.018 -5.784 -1.497 367 HD11 ILE 49 3HD1 ILE 49 1.284 -5.304 -0.902 368 HD12 ILE 49 1HD1 ILE 49 1.596 -4.146 0.391 369 HD13 ILE 49 2HD1 ILE 49 2.425 -5.702 0.381 370 H LEU 50 H LEU 50 -2.073 -9.599 0.887 371 HA LEU 50 HA LEU 50 -3.711 -9.624 -1.500 372 HB2 LEU 50 2HB LEU 50 -3.291 -12.100 0.060 373 HB3 LEU 50 3HB LEU 50 -3.208 -11.829 -1.679 374 HG LEU 50 HG LEU 50 -1.071 -11.128 0.332 375 HD11 LEU 50 1HD1 LEU 50 -1.227 -13.288 -1.763 376 HD12 LEU 50 2HD1 LEU 50 -1.223 -13.512 -0.014 377 HD13 LEU 50 3HD1 LEU 50 0.212 -12.884 -0.826 378 HD21 LEU 50 3HD2 LEU 50 -0.155 -11.116 -2.354 379 HD22 LEU 50 1HD2 LEU 50 -0.202 -9.783 -1.200 380 HD23 LEU 50 2HD2 LEU 50 -1.582 -10.084 -2.256 381 H ASP 51 H ASP 51 -4.056 -10.806 1.845 382 HA ASP 51 HA ASP 51 -6.693 -11.640 1.713 383 HB2 ASP 51 2HB ASP 51 -6.619 -11.806 4.007 384 HB3 ASP 51 3HB ASP 51 -4.896 -11.717 3.653 385 H GLN 52 H GLN 52 -8.475 -10.497 3.112 386 HA GLN 52 HA GLN 52 -8.561 -7.628 2.534 387 HB2 GLN 52 2HB GLN 52 -11.088 -8.196 1.905 388 HB3 GLN 52 3HB GLN 52 -9.803 -8.183 0.704 389 HG2 GLN 52 2HG GLN 52 -9.794 -10.449 0.478 390 HG3 GLN 52 3HG GLN 52 -10.360 -10.728 2.124 391 HE21 GLN 52 1HE2 GLN 52 -12.640 -9.653 2.449 392 HE22 GLN 52 2HE2 GLN 52 -13.803 -10.091 1.249 393 H ASP 53 H ASP 53 -10.307 -10.356 4.005 394 HA ASP 53 HA ASP 53 -10.486 -8.990 6.518 395 HB2 ASP 53 2HB ASP 53 -12.864 -9.157 4.710 396 HB3 ASP 53 3HB ASP 53 -13.100 -9.310 6.449 397 H LYS 54 H LYS 54 -9.302 -11.370 5.855 398 HA LYS 54 HA LYS 54 -11.146 -13.441 6.827 399 HB2 LYS 54 2HB LYS 54 -8.398 -13.867 5.655 400 HB3 LYS 54 3HB LYS 54 -9.659 -15.068 5.900 401 HG2 LYS 54 2HG LYS 54 -9.686 -12.799 3.922 402 HG3 LYS 54 3HG LYS 54 -9.522 -14.521 3.568 403 HD2 LYS 54 2HD LYS 54 -11.931 -13.195 4.812 404 HD3 LYS 54 3HD LYS 54 -11.798 -13.728 3.135 405 HE2 LYS 54 2HE LYS 54 -11.348 -16.043 4.040 406 HE3 LYS 54 3HE LYS 54 -11.813 -15.423 5.624 407 HZ1 LYS 54 3HZ LYS 54 -13.473 -15.861 3.242 408 HZ2 LYS 54 1HZ LYS 54 -13.917 -14.650 4.337 409 HZ3 LYS 54 2HZ LYS 54 -13.787 -16.254 4.857 410 H SER 55 H SER 55 -9.901 -11.404 8.528 411 HA SER 55 HA SER 55 -8.970 -11.262 10.600 412 HB2 SER 55 2HB SER 55 -10.334 -13.509 10.759 413 HB3 SER 55 3HB SER 55 -8.731 -14.242 10.791 414 HG SER 55 HG SER 55 -8.382 -13.430 12.723 415 H GLY 56 H GLY 56 -7.375 -11.836 8.025 416 HA2 GLY 56 2HA GLY 56 -4.989 -11.253 8.083 417 HA3 GLY 56 3HA GLY 56 -4.824 -12.397 9.407 418 H PHE 57 H PHE 57 -5.989 -14.637 8.603 419 HA PHE 57 HA PHE 57 -4.151 -15.763 6.812 420 HB2 PHE 57 2HB PHE 57 -6.876 -16.889 7.466 421 HB3 PHE 57 3HB PHE 57 -5.439 -17.780 6.975 422 HD1 PHE 57 HD1 PHE 57 -3.336 -17.293 8.581 423 HD2 PHE 57 HD2 PHE 57 -7.436 -16.981 9.679 424 HE1 PHE 57 HE1 PHE 57 -2.723 -17.606 10.943 425 HE2 PHE 57 HE2 PHE 57 -6.830 -17.293 12.043 426 HZ PHE 57 HZ PHE 57 -4.471 -17.605 12.678 427 H ILE 58 H ILE 58 -5.441 -17.318 5.018 428 HA ILE 58 HA ILE 58 -7.177 -15.672 3.374 429 HB ILE 58 HB ILE 58 -4.426 -16.505 2.460 430 HG12 ILE 58 2HG1 ILE 58 -5.807 -13.812 2.512 431 HG13 ILE 58 3HG1 ILE 58 -4.595 -14.354 3.668 432 HG21 ILE 58 1HG2 ILE 58 -5.926 -17.084 0.692 433 HG22 ILE 58 2HG2 ILE 58 -6.778 -15.548 0.841 434 HG23 ILE 58 3HG2 ILE 58 -5.119 -15.581 0.246 435 HD11 ILE 58 3HD1 ILE 58 -2.978 -14.544 1.808 436 HD12 ILE 58 1HD1 ILE 58 -4.195 -13.865 0.729 437 HD13 ILE 58 2HD1 ILE 58 -3.568 -12.903 2.068 438 H GLU 59 H GLU 59 -8.763 -17.015 2.850 439 HA GLU 59 HA GLU 59 -8.270 -19.870 2.638 440 HB2 GLU 59 2HB GLU 59 -10.876 -18.378 2.307 441 HB3 GLU 59 3HB GLU 59 -10.673 -20.107 2.554 442 HG2 GLU 59 2HG GLU 59 -9.376 -18.755 4.684 443 HG3 GLU 59 3HG GLU 59 -10.987 -18.067 4.489 444 H GLU 60 H GLU 60 -9.404 -21.051 0.809 445 HA GLU 60 HA GLU 60 -8.232 -20.462 -1.613 446 HB2 GLU 60 2HB GLU 60 -9.324 -22.633 -0.914 447 HB3 GLU 60 3HB GLU 60 -10.869 -21.904 -1.330 448 HG2 GLU 60 2HG GLU 60 -8.774 -21.800 -3.403 449 HG3 GLU 60 3HG GLU 60 -9.431 -23.391 -3.024 450 H GLU 61 H GLU 61 -11.148 -19.181 -0.240 451 HA GLU 61 HA GLU 61 -12.364 -18.229 -2.602 452 HB2 GLU 61 2HB GLU 61 -12.573 -16.990 0.144 453 HB3 GLU 61 3HB GLU 61 -13.737 -16.874 -1.168 454 HG2 GLU 61 2HG GLU 61 -14.801 -18.561 -0.203 455 HG3 GLU 61 3HG GLU 61 -13.489 -19.589 -0.774 456 H GLU 62 H GLU 62 -10.171 -16.677 -0.279 457 HA GLU 62 HA GLU 62 -9.980 -14.317 -1.974 458 HB2 GLU 62 2HB GLU 62 -9.206 -15.005 0.810 459 HB3 GLU 62 3HB GLU 62 -8.232 -13.794 -0.012 460 HG2 GLU 62 2HG GLU 62 -9.910 -12.648 1.199 461 HG3 GLU 62 3HG GLU 62 -10.339 -12.551 -0.508 462 H LEU 63 H LEU 63 -8.545 -17.287 -1.858 463 HA LEU 63 HA LEU 63 -5.824 -16.500 -2.372 464 HB2 LEU 63 2HB LEU 63 -6.752 -18.712 -1.355 465 HB3 LEU 63 3HB LEU 63 -6.932 -19.194 -3.041 466 HG LEU 63 HG LEU 63 -4.480 -18.760 -3.333 467 HD11 LEU 63 1HD1 LEU 63 -4.792 -17.747 -0.669 468 HD12 LEU 63 2HD1 LEU 63 -3.394 -17.665 -1.741 469 HD13 LEU 63 3HD1 LEU 63 -3.614 -19.060 -0.685 470 HD21 LEU 63 3HD2 LEU 63 -4.048 -20.918 -2.861 471 HD22 LEU 63 1HD2 LEU 63 -5.772 -20.981 -2.496 472 HD23 LEU 63 2HD2 LEU 63 -4.602 -20.775 -1.192 473 H GLN 64 H GLN 64 -8.675 -17.157 -4.242 474 HA GLN 64 HA GLN 64 -7.407 -17.622 -6.736 475 HB2 GLN 64 2HB GLN 64 -9.564 -17.449 -7.703 476 HB3 GLN 64 3HB GLN 64 -9.800 -18.182 -6.123 477 HG2 GLN 64 2HG GLN 64 -10.524 -16.056 -5.214 478 HG3 GLN 64 3HG GLN 64 -10.224 -15.273 -6.764 479 HE21 GLN 64 1HE2 GLN 64 -12.673 -15.096 -5.579 480 HE22 GLN 64 2HE2 GLN 64 -13.830 -16.007 -6.482 481 H LEU 65 H LEU 65 -7.458 -14.904 -4.861 482 HA LEU 65 HA LEU 65 -7.436 -13.058 -7.142 483 HB2 LEU 65 2HB LEU 65 -7.238 -12.180 -4.296 484 HB3 LEU 65 3HB LEU 65 -7.910 -11.327 -5.684 485 HG LEU 65 HG LEU 65 -9.222 -13.724 -4.413 486 HD11 LEU 65 1HD1 LEU 65 -10.644 -12.241 -3.208 487 HD12 LEU 65 2HD1 LEU 65 -9.918 -10.828 -3.972 488 HD13 LEU 65 3HD1 LEU 65 -8.978 -11.797 -2.838 489 HD21 LEU 65 3HD2 LEU 65 -10.834 -11.747 -5.830 490 HD22 LEU 65 1HD2 LEU 65 -10.823 -13.506 -5.957 491 HD23 LEU 65 2HD2 LEU 65 -9.644 -12.550 -6.855 492 H PHE 66 H PHE 66 -5.275 -14.989 -6.107 493 HA PHE 66 HA PHE 66 -3.137 -13.440 -5.111 494 HB2 PHE 66 2HB PHE 66 -3.136 -15.861 -4.899 495 HB3 PHE 66 3HB PHE 66 -3.116 -16.044 -6.650 496 HD1 PHE 66 HD1 PHE 66 -1.148 -14.863 -3.753 497 HD2 PHE 66 HD2 PHE 66 -1.098 -16.007 -7.853 498 HE1 PHE 66 HE1 PHE 66 1.312 -14.873 -3.717 499 HE2 PHE 66 HE2 PHE 66 1.362 -16.020 -7.823 500 HZ PHE 66 HZ PHE 66 2.571 -15.453 -5.753 501 H LEU 67 H LEU 67 -4.379 -13.968 -8.310 502 HA LEU 67 HA LEU 67 -2.034 -12.993 -9.665 503 HB2 LEU 67 2HB LEU 67 -4.740 -13.919 -10.442 504 HB3 LEU 67 3HB LEU 67 -3.908 -12.835 -11.556 505 HG LEU 67 HG LEU 67 -2.763 -15.444 -10.568 506 HD11 LEU 67 1HD1 LEU 67 -4.910 -15.159 -12.274 507 HD12 LEU 67 2HD1 LEU 67 -3.845 -16.559 -12.162 508 HD13 LEU 67 3HD1 LEU 67 -3.532 -15.308 -13.365 509 HD21 LEU 67 3HD2 LEU 67 -1.441 -14.996 -12.790 510 HD22 LEU 67 1HD2 LEU 67 -0.944 -14.239 -11.276 511 HD23 LEU 67 2HD2 LEU 67 -1.874 -13.317 -12.458 512 H LYS 68 H LYS 68 -4.301 -11.498 -7.826 513 HA LYS 68 HA LYS 68 -4.578 -9.108 -9.463 514 HB2 LYS 68 2HB LYS 68 -5.514 -9.436 -6.619 515 HB3 LYS 68 3HB LYS 68 -6.124 -8.333 -7.846 516 HG2 LYS 68 2HG LYS 68 -6.376 -11.327 -8.000 517 HG3 LYS 68 3HG LYS 68 -7.619 -10.256 -7.350 518 HD2 LYS 68 2HD LYS 68 -6.597 -9.514 -10.006 519 HD3 LYS 68 3HD LYS 68 -7.471 -11.046 -9.943 520 HE2 LYS 68 2HE LYS 68 -8.483 -8.374 -8.975 521 HE3 LYS 68 3HE LYS 68 -8.978 -9.199 -10.452 522 HZ1 LYS 68 3HZ LYS 68 -9.496 -11.092 -8.691 523 HZ2 LYS 68 1HZ LYS 68 -10.625 -9.899 -9.098 524 HZ3 LYS 68 2HZ LYS 68 -9.707 -9.748 -7.686 525 H ASN 69 H ASN 69 -2.515 -10.351 -7.046 526 HA ASN 69 HA ASN 69 -1.634 -7.742 -6.120 527 HB2 ASN 69 2HB ASN 69 -0.089 -10.172 -5.411 528 HB3 ASN 69 3HB ASN 69 -0.618 -8.835 -4.393 529 HD21 ASN 69 1HD2 ASN 69 -3.211 -8.764 -4.466 530 HD22 ASN 69 2HD2 ASN 69 -3.933 -10.262 -3.996 531 H PHE 70 H PHE 70 -0.939 -9.853 -8.657 532 HA PHE 70 HA PHE 70 1.730 -8.661 -9.026 533 HB2 PHE 70 2HB PHE 70 0.616 -11.296 -10.000 534 HB3 PHE 70 3HB PHE 70 2.149 -10.626 -10.548 535 HD1 PHE 70 HD2 PHE 70 0.341 -11.606 -7.448 536 HD2 PHE 70 HD1 PHE 70 4.092 -11.119 -9.400 537 HE1 PHE 70 HE2 PHE 70 1.473 -12.637 -5.522 538 HE2 PHE 70 HE1 PHE 70 5.230 -12.150 -7.477 539 HZ PHE 70 HZ PHE 70 3.921 -12.909 -5.535 540 H SER 71 H SER 71 -1.072 -9.863 -10.870 541 HA SER 71 HA SER 71 -0.482 -7.824 -12.914 542 HB2 SER 71 2HB SER 71 -1.061 -10.642 -13.133 543 HB3 SER 71 3HB SER 71 -2.278 -9.704 -13.999 544 HG SER 71 HG SER 71 -0.811 -9.608 -15.499 545 H SER 72 H SER 72 -2.401 -6.972 -14.066 546 HA SER 72 HA SER 72 -4.681 -6.693 -12.220 547 HB2 SER 72 2HB SER 72 -3.395 -4.609 -12.486 548 HB3 SER 72 3HB SER 72 -3.638 -4.683 -14.231 549 HG SER 72 HG SER 72 -5.823 -4.374 -13.922 550 H SER 73 H SER 73 -3.893 -8.331 -14.835 551 HA SER 73 HA SER 73 -6.340 -7.757 -16.350 552 HB2 SER 73 2HB SER 73 -4.378 -7.785 -17.739 553 HB3 SER 73 3HB SER 73 -3.854 -9.327 -17.061 554 HG SER 73 HG SER 73 -5.196 -10.348 -18.336 555 H ALA 74 H ALA 74 -4.565 -10.423 -14.833 556 HA ALA 74 HA ALA 74 -6.446 -12.444 -15.400 557 HB1 ALA 74 1HB ALA 74 -4.424 -13.321 -14.778 558 HB2 ALA 74 2HB ALA 74 -4.188 -12.148 -13.482 559 HB3 ALA 74 3HB ALA 74 -5.320 -13.483 -13.267 560 H ARG 75 H ARG 75 -8.522 -12.273 -14.826 561 HA ARG 75 HA ARG 75 -9.598 -10.763 -12.775 562 HB2 ARG 75 2HB ARG 75 -11.578 -12.329 -12.952 563 HB3 ARG 75 3HB ARG 75 -11.059 -11.579 -14.456 564 HG2 ARG 75 2HG ARG 75 -9.621 -13.879 -14.495 565 HG3 ARG 75 3HG ARG 75 -11.089 -14.398 -13.664 566 HD2 ARG 75 2HD ARG 75 -12.432 -13.963 -15.480 567 HD3 ARG 75 3HD ARG 75 -11.332 -12.751 -16.136 568 HE ARG 75 HE ARG 75 -10.322 -14.404 -17.335 569 HH11 ARG 75 1HH1 ARG 75 -12.037 -15.854 -14.675 570 HH12 ARG 75 2HH1 ARG 75 -11.714 -17.479 -15.182 571 HH21 ARG 75 1HH2 ARG 75 -9.891 -16.539 -18.014 572 HH22 ARG 75 2HH2 ARG 75 -10.492 -17.867 -17.081 573 H VAL 76 H VAL 76 -8.876 -14.252 -12.740 574 HA VAL 76 HA VAL 76 -8.140 -14.156 -9.967 575 HB VAL 76 HB VAL 76 -9.879 -16.046 -9.460 576 HG11 VAL 76 1HG1 VAL 76 -9.638 -13.669 -8.500 577 HG12 VAL 76 2HG1 VAL 76 -10.992 -13.265 -9.557 578 HG13 VAL 76 3HG1 VAL 76 -11.183 -14.498 -8.309 579 HG21 VAL 76 3HG2 VAL 76 -11.418 -14.453 -11.503 580 HG22 VAL 76 1HG2 VAL 76 -10.727 -16.045 -11.816 581 HG23 VAL 76 2HG2 VAL 76 -11.976 -15.853 -10.586 582 H LEU 77 H LEU 77 -7.877 -16.556 -9.157 583 HA LEU 77 HA LEU 77 -6.052 -17.797 -10.961 584 HB2 LEU 77 2HB LEU 77 -7.179 -18.765 -8.338 585 HB3 LEU 77 3HB LEU 77 -5.838 -19.512 -9.204 586 HG LEU 77 HG LEU 77 -5.899 -16.864 -7.783 587 HD11 LEU 77 1HD1 LEU 77 -3.783 -17.917 -6.809 588 HD12 LEU 77 2HD1 LEU 77 -4.369 -19.428 -7.502 589 HD13 LEU 77 3HD1 LEU 77 -5.336 -18.578 -6.298 590 HD21 LEU 77 3HD2 LEU 77 -3.968 -17.861 -9.857 591 HD22 LEU 77 1HD2 LEU 77 -3.511 -16.672 -8.637 592 HD23 LEU 77 2HD2 LEU 77 -4.801 -16.308 -9.784 593 H THR 78 H THR 78 -6.158 -20.123 -11.528 594 HA THR 78 HA THR 78 -8.919 -20.912 -12.200 595 HB THR 78 HB THR 78 -7.415 -20.270 -14.142 596 HG1 THR 78 HG1 THR 78 -7.993 -22.421 -15.219 597 HG21 THR 78 3HG2 THR 78 -5.479 -21.644 -12.979 598 HG22 THR 78 1HG2 THR 78 -5.586 -21.522 -14.735 599 HG23 THR 78 2HG2 THR 78 -6.173 -22.968 -13.914 600 H SER 79 H SER 79 -8.551 -23.447 -13.059 601 HA SER 79 HA SER 79 -8.158 -24.860 -10.592 602 HB2 SER 79 2HB SER 79 -8.903 -25.736 -13.383 603 HB3 SER 79 3HB SER 79 -8.677 -26.883 -12.062 604 HG SER 79 HG SER 79 -10.285 -25.614 -10.909 605 H ALA 80 H ALA 80 -5.795 -23.863 -10.824 606 HA ALA 80 HA ALA 80 -4.047 -26.061 -11.035 607 HB1 ALA 80 1HB ALA 80 -2.923 -24.361 -13.026 608 HB2 ALA 80 2HB ALA 80 -3.390 -26.057 -13.153 609 HB3 ALA 80 3HB ALA 80 -4.565 -24.790 -13.505 610 H GLU 81 H GLU 81 -4.387 -22.550 -11.148 611 HA GLU 81 HA GLU 81 -1.787 -22.075 -10.010 612 HB2 GLU 81 2HB GLU 81 -4.143 -20.237 -10.464 613 HB3 GLU 81 3HB GLU 81 -2.573 -19.710 -9.874 614 HG2 GLU 81 2HG GLU 81 -1.750 -20.938 -12.070 615 HG3 GLU 81 3HG GLU 81 -3.393 -20.565 -12.588 616 H THR 82 H THR 82 -5.138 -21.731 -8.860 617 HA THR 82 HA THR 82 -4.501 -20.955 -6.237 618 HB THR 82 HB THR 82 -6.943 -22.562 -6.468 619 HG1 THR 82 HG1 THR 82 -7.652 -21.736 -8.275 620 HG21 THR 82 3HG2 THR 82 -7.084 -19.661 -6.018 621 HG22 THR 82 1HG2 THR 82 -6.057 -20.536 -4.883 622 HG23 THR 82 2HG2 THR 82 -7.751 -20.989 -5.069 623 H LYS 83 H LYS 83 -4.923 -24.128 -7.710 624 HA LYS 83 HA LYS 83 -4.802 -25.583 -5.259 625 HB2 LYS 83 2HB LYS 83 -4.255 -26.549 -8.071 626 HB3 LYS 83 3HB LYS 83 -4.589 -27.561 -6.672 627 HG2 LYS 83 2HG LYS 83 -6.573 -25.504 -7.539 628 HG3 LYS 83 3HG LYS 83 -6.475 -27.058 -8.369 629 HD2 LYS 83 2HD LYS 83 -6.777 -28.197 -6.197 630 HD3 LYS 83 3HD LYS 83 -6.961 -26.622 -5.422 631 HE2 LYS 83 2HE LYS 83 -9.150 -27.435 -5.793 632 HE3 LYS 83 3HE LYS 83 -8.871 -26.200 -7.020 633 HZ1 LYS 83 3HZ LYS 83 -9.551 -27.752 -8.446 634 HZ2 LYS 83 1HZ LYS 83 -9.360 -29.013 -7.335 635 HZ3 LYS 83 2HZ LYS 83 -8.034 -28.469 -8.233 636 H ALA 84 H ALA 84 -2.450 -24.934 -7.845 637 HA ALA 84 HA ALA 84 -0.308 -26.313 -6.596 638 HB1 ALA 84 1HB ALA 84 0.016 -24.074 -8.572 639 HB2 ALA 84 2HB ALA 84 1.058 -25.474 -8.314 640 HB3 ALA 84 3HB ALA 84 -0.531 -25.682 -9.050 641 H PHE 85 H PHE 85 -1.833 -23.443 -5.805 642 HA PHE 85 HA PHE 85 0.573 -22.303 -4.566 643 HB2 PHE 85 2HB PHE 85 -0.842 -20.843 -6.036 644 HB3 PHE 85 3HB PHE 85 -2.147 -21.019 -4.867 645 HD1 PHE 85 HD1 PHE 85 1.340 -19.817 -5.244 646 HD2 PHE 85 HD2 PHE 85 -2.275 -19.622 -3.006 647 HE1 PHE 85 HE1 PHE 85 2.239 -17.918 -3.963 648 HE2 PHE 85 HE2 PHE 85 -1.382 -17.723 -1.723 649 HZ PHE 85 HZ PHE 85 0.877 -16.868 -2.201 650 H LEU 86 H LEU 86 -2.802 -23.135 -3.832 651 HA LEU 86 HA LEU 86 -2.612 -22.618 -1.054 652 HB2 LEU 86 2HB LEU 86 -4.681 -22.933 -2.625 653 HB3 LEU 86 3HB LEU 86 -4.517 -24.628 -2.170 654 HG LEU 86 HG LEU 86 -4.670 -22.555 -0.027 655 HD11 LEU 86 1HD1 LEU 86 -7.260 -23.640 -0.624 656 HD12 LEU 86 2HD1 LEU 86 -6.628 -22.760 -2.015 657 HD13 LEU 86 3HD1 LEU 86 -6.762 -21.957 -0.451 658 HD21 LEU 86 3HD2 LEU 86 -5.084 -24.305 1.319 659 HD22 LEU 86 1HD2 LEU 86 -4.373 -25.249 0.009 660 HD23 LEU 86 2HD2 LEU 86 -6.126 -25.101 0.138 661 H ALA 87 H ALA 87 -2.646 -25.693 -2.862 662 HA ALA 87 HA ALA 87 -2.084 -27.319 -0.622 663 HB1 ALA 87 1HB ALA 87 -1.541 -29.059 -2.293 664 HB2 ALA 87 2HB ALA 87 -3.082 -28.259 -2.605 665 HB3 ALA 87 3HB ALA 87 -1.662 -27.839 -3.562 666 H ALA 88 H ALA 88 -0.125 -25.194 -2.380 667 HA ALA 88 HA ALA 88 2.346 -26.606 -1.687 668 HB1 ALA 88 1HB ALA 88 3.473 -24.980 -3.105 669 HB2 ALA 88 2HB ALA 88 2.143 -25.751 -3.971 670 HB3 ALA 88 3HB ALA 88 1.954 -24.115 -3.340 671 H GLY 89 H GLY 89 0.446 -23.809 -0.843 672 HA2 GLY 89 2HA GLY 89 2.588 -22.747 0.846 673 HA3 GLY 89 3HA GLY 89 1.061 -21.954 0.488 674 H ASP 90 H ASP 90 -0.882 -23.460 1.275 675 HA ASP 90 HA ASP 90 -0.982 -23.299 4.022 676 HB2 ASP 90 2HB ASP 90 -3.050 -23.518 2.948 677 HB3 ASP 90 3HB ASP 90 -2.535 -24.937 2.041 678 H THR 91 H THR 91 0.555 -24.192 5.275 679 HA THR 91 HA THR 91 0.907 -27.112 5.094 680 HB THR 91 HB THR 91 3.243 -26.761 5.951 681 HG1 THR 91 HG1 THR 91 2.833 -24.068 5.120 682 HG21 THR 91 3HG2 THR 91 3.846 -25.520 3.590 683 HG22 THR 91 1HG2 THR 91 2.229 -26.147 3.271 684 HG23 THR 91 2HG2 THR 91 3.517 -27.243 3.772 685 H ASP 92 H ASP 92 1.193 -24.274 7.214 686 HA ASP 92 HA ASP 92 0.857 -26.003 9.553 687 HB2 ASP 92 2HB ASP 92 1.626 -23.090 9.304 688 HB3 ASP 92 3HB ASP 92 1.403 -23.922 10.840 689 H GLY 93 H GLY 93 -1.330 -25.401 7.677 690 HA2 GLY 93 2HA GLY 93 -3.220 -24.364 9.670 691 HA3 GLY 93 3HA GLY 93 -3.200 -23.631 8.073 692 H ASP 94 H ASP 94 -5.449 -24.294 7.971 693 HA ASP 94 HA ASP 94 -5.685 -27.073 7.045 694 HB2 ASP 94 2HB ASP 94 -7.925 -25.726 8.534 695 HB3 ASP 94 3HB ASP 94 -7.698 -27.441 8.203 696 H GLY 95 H GLY 95 -5.296 -25.782 5.010 697 HA2 GLY 95 2HA GLY 95 -6.460 -25.506 2.962 698 HA3 GLY 95 3HA GLY 95 -7.907 -25.095 3.870 699 H LYS 96 H LYS 96 -6.060 -23.293 5.551 700 HA LYS 96 HA LYS 96 -6.258 -20.994 3.738 701 HB2 LYS 96 2HB LYS 96 -5.906 -20.972 6.739 702 HB3 LYS 96 3HB LYS 96 -6.315 -19.606 5.709 703 HG2 LYS 96 2HG LYS 96 -8.481 -20.427 5.301 704 HG3 LYS 96 3HG LYS 96 -8.080 -22.023 5.941 705 HD2 LYS 96 2HD LYS 96 -7.581 -20.000 7.923 706 HD3 LYS 96 3HD LYS 96 -9.233 -19.865 7.316 707 HE2 LYS 96 2HE LYS 96 -8.067 -22.505 8.143 708 HE3 LYS 96 3HE LYS 96 -8.805 -21.414 9.315 709 HZ1 LYS 96 3HZ LYS 96 -10.814 -22.054 8.679 710 HZ2 LYS 96 1HZ LYS 96 -10.095 -23.252 7.725 711 HZ3 LYS 96 2HZ LYS 96 -10.480 -21.751 7.049 712 H ILE 97 H ILE 97 -4.582 -19.215 4.309 713 HA ILE 97 HA ILE 97 -1.949 -20.356 4.881 714 HB ILE 97 HB ILE 97 -2.623 -18.809 2.380 715 HG12 ILE 97 2HG1 ILE 97 -1.458 -21.566 2.824 716 HG13 ILE 97 3HG1 ILE 97 -3.079 -21.206 2.239 717 HG21 ILE 97 1HG2 ILE 97 -0.219 -18.913 1.869 718 HG22 ILE 97 2HG2 ILE 97 -0.555 -17.954 3.309 719 HG23 ILE 97 3HG2 ILE 97 0.077 -19.592 3.469 720 HD11 ILE 97 3HD1 ILE 97 -0.510 -20.542 0.819 721 HD12 ILE 97 1HD1 ILE 97 -1.596 -21.877 0.432 722 HD13 ILE 97 2HD1 ILE 97 -2.139 -20.211 0.229 723 H GLY 98 H GLY 98 -0.941 -19.128 6.323 724 HA2 GLY 98 2HA GLY 98 -1.842 -16.362 6.695 725 HA3 GLY 98 3HA GLY 98 -0.930 -17.315 7.856 726 H VAL 99 H VAL 99 1.126 -16.770 8.092 727 HA VAL 99 HA VAL 99 2.449 -15.336 5.884 728 HB VAL 99 HB VAL 99 3.980 -14.901 8.162 729 HG11 VAL 99 1HG1 VAL 99 3.612 -12.693 7.699 730 HG12 VAL 99 2HG1 VAL 99 3.064 -13.412 6.183 731 HG13 VAL 99 3HG1 VAL 99 1.889 -12.927 7.406 732 HG21 VAL 99 3HG2 VAL 99 2.357 -14.012 9.799 733 HG22 VAL 99 1HG2 VAL 99 1.047 -14.696 8.836 734 HG23 VAL 99 2HG2 VAL 99 2.232 -15.759 9.596 735 H GLU 100 H GLU 100 3.229 -17.440 8.660 736 HA GLU 100 HA GLU 100 5.777 -18.191 7.828 737 HB2 GLU 100 2HB GLU 100 3.869 -19.037 9.827 738 HB3 GLU 100 3HB GLU 100 4.699 -20.425 9.137 739 HG2 GLU 100 2HG GLU 100 6.814 -18.875 9.550 740 HG3 GLU 100 3HG GLU 100 5.753 -18.210 10.791 741 H GLU 101 H GLU 101 2.667 -19.216 6.716 742 HA GLU 101 HA GLU 101 3.780 -21.513 5.299 743 HB2 GLU 101 2HB GLU 101 0.925 -20.562 5.183 744 HB3 GLU 101 3HB GLU 101 1.550 -22.170 4.848 745 HG2 GLU 101 2HG GLU 101 2.045 -22.513 7.181 746 HG3 GLU 101 3HG GLU 101 1.556 -20.861 7.557 747 H PHE 102 H PHE 102 3.249 -18.234 4.785 748 HA PHE 102 HA PHE 102 2.853 -18.504 1.906 749 HB2 PHE 102 2HB PHE 102 1.531 -16.809 3.081 750 HB3 PHE 102 3HB PHE 102 3.007 -16.038 3.652 751 HD1 PHE 102 HD2 PHE 102 4.416 -14.767 2.132 752 HD2 PHE 102 HD1 PHE 102 0.779 -16.543 0.816 753 HE1 PHE 102 HE2 PHE 102 4.468 -13.367 0.109 754 HE2 PHE 102 HE1 PHE 102 0.825 -15.147 -1.209 755 HZ PHE 102 HZ PHE 102 2.670 -13.555 -1.564 756 H GLN 103 H GLN 103 5.101 -16.797 4.087 757 HA GLN 103 HA GLN 103 6.974 -16.161 2.078 758 HB2 GLN 103 2HB GLN 103 8.476 -15.583 3.897 759 HB3 GLN 103 3HB GLN 103 6.856 -14.998 4.249 760 HG2 GLN 103 2HG GLN 103 6.527 -16.505 5.947 761 HG3 GLN 103 3HG GLN 103 7.697 -17.653 5.298 762 HE21 GLN 103 1HE2 GLN 103 7.149 -15.552 7.732 763 HE22 GLN 103 2HE2 GLN 103 8.775 -15.188 8.188 764 H SER 104 H SER 104 6.385 -19.041 3.882 765 HA SER 104 HA SER 104 8.977 -20.200 3.544 766 HB2 SER 104 2HB SER 104 7.606 -20.979 5.366 767 HB3 SER 104 3HB SER 104 6.299 -21.409 4.264 768 HG SER 104 HG SER 104 7.220 -23.285 4.167 769 H LEU 105 H LEU 105 6.411 -19.644 1.448 770 HA LEU 105 HA LEU 105 7.134 -21.889 -0.300 771 HB2 LEU 105 2HB LEU 105 4.774 -21.686 0.144 772 HB3 LEU 105 3HB LEU 105 4.791 -19.994 -0.350 773 HG LEU 105 HG LEU 105 5.557 -22.107 -2.318 774 HD11 LEU 105 1HD1 LEU 105 3.579 -23.113 -1.982 775 HD12 LEU 105 2HD1 LEU 105 2.932 -21.731 -2.865 776 HD13 LEU 105 3HD1 LEU 105 2.910 -21.738 -1.102 777 HD21 LEU 105 3HD2 LEU 105 5.280 -19.331 -2.364 778 HD22 LEU 105 1HD2 LEU 105 3.867 -19.953 -3.216 779 HD23 LEU 105 2HD2 LEU 105 5.486 -20.407 -3.747 780 H VAL 106 H VAL 106 6.704 -18.366 -0.326 781 HA VAL 106 HA VAL 106 7.518 -17.933 -2.980 782 HB VAL 106 HB VAL 106 7.533 -16.152 -0.553 783 HG11 VAL 106 1HG1 VAL 106 9.299 -15.232 -1.776 784 HG12 VAL 106 2HG1 VAL 106 8.526 -15.575 -3.325 785 HG13 VAL 106 3HG1 VAL 106 7.893 -14.298 -2.287 786 HG21 VAL 106 3HG2 VAL 106 5.758 -16.585 -2.909 787 HG22 VAL 106 1HG2 VAL 106 5.344 -16.370 -1.208 788 HG23 VAL 106 2HG2 VAL 106 5.833 -14.981 -2.178 789 H LYS 107 H LYS 107 9.387 -17.382 0.012 790 HA LYS 107 HA LYS 107 11.846 -16.946 -1.260 791 HB2 LYS 107 2HB LYS 107 12.771 -16.878 0.853 792 HB3 LYS 107 3HB LYS 107 11.081 -16.560 1.218 793 HG2 LYS 107 2HG LYS 107 10.790 -18.959 1.752 794 HG3 LYS 107 3HG LYS 107 12.522 -19.188 1.499 795 HD2 LYS 107 2HD LYS 107 11.413 -17.192 3.460 796 HD3 LYS 107 3HD LYS 107 11.764 -18.866 3.898 797 HE2 LYS 107 2HE LYS 107 14.010 -17.804 2.510 798 HE3 LYS 107 3HE LYS 107 13.543 -16.661 3.767 799 HZ1 LYS 107 3HZ LYS 107 13.417 -19.162 4.926 800 HZ2 LYS 107 1HZ LYS 107 14.585 -17.968 5.199 801 HZ3 LYS 107 2HZ LYS 107 14.851 -19.159 4.028 802 H ALA 108 H ALA 108 10.089 -19.824 -0.749 803 HA ALA 108 HA ALA 108 12.442 -21.532 -1.014 804 HB1 ALA 108 1HB ALA 108 10.548 -22.024 0.597 805 HB2 ALA 108 2HB ALA 108 9.586 -22.449 -0.819 806 HB3 ALA 108 3HB ALA 108 11.055 -23.351 -0.448 Start of MODEL 16 1 H1 ALA 1 H ALA 1 0.788 1.012 -0.438 2 HA ALA 1 HA ALA 1 0.987 -0.262 -2.856 3 HB1 ALA 1 1HB ALA 1 1.765 1.951 -2.729 4 HB2 ALA 1 2HB ALA 1 2.917 1.562 -1.451 5 HB3 ALA 1 3HB ALA 1 3.194 0.982 -3.094 6 H ILE 2 H ILE 2 2.583 -1.563 -3.859 7 HA ILE 2 HA ILE 2 3.982 -3.338 -1.974 8 HB ILE 2 HB ILE 2 2.295 -4.448 -3.375 9 HG12 ILE 2 2HG1 ILE 2 3.825 -6.196 -4.354 10 HG13 ILE 2 3HG1 ILE 2 5.179 -5.147 -3.951 11 HG21 ILE 2 1HG2 ILE 2 2.097 -4.166 -5.587 12 HG22 ILE 2 2HG2 ILE 2 3.117 -2.748 -5.349 13 HG23 ILE 2 3HG2 ILE 2 3.837 -4.277 -5.852 14 HD11 ILE 2 3HD1 ILE 2 4.943 -6.825 -2.260 15 HD12 ILE 2 1HD1 ILE 2 4.500 -5.260 -1.578 16 HD13 ILE 2 2HD1 ILE 2 3.243 -6.413 -2.030 17 H THR 3 H THR 3 4.365 -1.271 -4.750 18 HA THR 3 HA THR 3 6.831 -2.071 -5.725 19 HB THR 3 HB THR 3 7.134 0.235 -6.522 20 HG1 THR 3 HG1 THR 3 4.717 0.948 -5.239 21 HG21 THR 3 3HG2 THR 3 4.344 0.184 -7.121 22 HG22 THR 3 1HG2 THR 3 4.945 -1.473 -7.079 23 HG23 THR 3 2HG2 THR 3 5.701 -0.288 -8.144 24 H ASP 4 H ASP 4 6.053 -0.405 -2.782 25 HA ASP 4 HA ASP 4 8.521 0.785 -2.207 26 HB2 ASP 4 2HB ASP 4 6.234 -0.184 -0.529 27 HB3 ASP 4 3HB ASP 4 7.718 0.357 0.250 28 H ILE 5 H ILE 5 7.598 -2.508 -2.281 29 HA ILE 5 HA ILE 5 10.106 -3.258 -0.924 30 HB ILE 5 HB ILE 5 7.897 -5.237 -1.202 31 HG12 ILE 5 2HG1 ILE 5 7.977 -3.048 0.884 32 HG13 ILE 5 3HG1 ILE 5 6.729 -3.287 -0.334 33 HG21 ILE 5 1HG2 ILE 5 10.274 -5.615 -0.272 34 HG22 ILE 5 2HG2 ILE 5 9.675 -4.786 1.164 35 HG23 ILE 5 3HG2 ILE 5 8.902 -6.274 0.618 36 HD11 ILE 5 3HD1 ILE 5 5.810 -4.130 1.630 37 HD12 ILE 5 1HD1 ILE 5 6.354 -5.561 0.755 38 HD13 ILE 5 2HD1 ILE 5 7.311 -4.931 2.097 39 H LEU 6 H LEU 6 7.816 -4.208 -3.471 40 HA LEU 6 HA LEU 6 9.908 -5.807 -4.747 41 HB2 LEU 6 2HB LEU 6 6.975 -5.787 -4.760 42 HB3 LEU 6 3HB LEU 6 7.710 -6.064 -6.338 43 HG LEU 6 HG LEU 6 8.808 -8.038 -5.559 44 HD11 LEU 6 1HD1 LEU 6 8.408 -6.827 -2.971 45 HD12 LEU 6 2HD1 LEU 6 9.516 -8.110 -3.456 46 HD13 LEU 6 3HD1 LEU 6 7.862 -8.505 -2.986 47 HD21 LEU 6 3HD2 LEU 6 6.007 -8.082 -4.449 48 HD22 LEU 6 1HD2 LEU 6 6.938 -9.444 -5.071 49 HD23 LEU 6 2HD2 LEU 6 6.392 -8.176 -6.168 50 H SER 7 H SER 7 9.520 -5.707 -7.326 51 HA SER 7 HA SER 7 9.740 -2.857 -8.050 52 HB2 SER 7 2HB SER 7 11.572 -5.051 -8.460 53 HB3 SER 7 3HB SER 7 11.076 -4.372 -10.010 54 HG SER 7 HG SER 7 11.600 -2.273 -9.007 55 H ALA 8 H ALA 8 8.441 -2.121 -9.609 56 HA ALA 8 HA ALA 8 6.329 -3.689 -10.620 57 HB1 ALA 8 1HB ALA 8 5.476 -1.711 -11.171 58 HB2 ALA 8 2HB ALA 8 6.935 -0.981 -10.499 59 HB3 ALA 8 3HB ALA 8 6.842 -1.340 -12.223 60 H LYS 9 H LYS 9 9.532 -3.067 -11.777 61 HA LYS 9 HA LYS 9 8.933 -4.032 -14.457 62 HB2 LYS 9 2HB LYS 9 10.677 -2.170 -13.642 63 HB3 LYS 9 3HB LYS 9 11.735 -3.574 -13.577 64 HG2 LYS 9 2HG LYS 9 10.131 -3.209 -16.037 65 HG3 LYS 9 3HG LYS 9 11.458 -2.079 -15.756 66 HD2 LYS 9 2HD LYS 9 12.755 -4.332 -15.215 67 HD3 LYS 9 3HD LYS 9 11.523 -5.002 -16.286 68 HE2 LYS 9 2HE LYS 9 13.328 -2.682 -16.962 69 HE3 LYS 9 3HE LYS 9 13.597 -4.349 -17.469 70 HZ1 LYS 9 3HZ LYS 9 11.313 -4.196 -18.512 71 HZ2 LYS 9 1HZ LYS 9 12.543 -3.309 -19.263 72 HZ3 LYS 9 2HZ LYS 9 11.413 -2.524 -18.278 73 H ASP 10 H ASP 10 9.559 -5.399 -11.512 74 HA ASP 10 HA ASP 10 10.953 -7.712 -12.678 75 HB2 ASP 10 2HB ASP 10 10.652 -6.831 -9.801 76 HB3 ASP 10 3HB ASP 10 11.396 -8.351 -10.294 77 H ILE 11 H ILE 11 8.058 -6.677 -11.025 78 HA ILE 11 HA ILE 11 7.044 -9.257 -10.417 79 HB ILE 11 HB ILE 11 5.567 -6.650 -10.800 80 HG12 ILE 11 2HG1 ILE 11 6.050 -7.913 -8.141 81 HG13 ILE 11 3HG1 ILE 11 7.396 -7.087 -8.918 82 HG21 ILE 11 1HG2 ILE 11 4.681 -9.375 -10.019 83 HG22 ILE 11 2HG2 ILE 11 3.957 -7.997 -9.192 84 HG23 ILE 11 3HG2 ILE 11 3.840 -8.132 -10.946 85 HD11 ILE 11 3HD1 ILE 11 5.993 -5.744 -7.295 86 HD12 ILE 11 1HD1 ILE 11 6.290 -5.023 -8.876 87 HD13 ILE 11 2HD1 ILE 11 4.732 -5.772 -8.527 88 H GLU 12 H GLU 12 6.104 -6.937 -12.964 89 HA GLU 12 HA GLU 12 4.372 -8.639 -14.337 90 HB2 GLU 12 2HB GLU 12 6.073 -6.423 -15.493 91 HB3 GLU 12 3HB GLU 12 4.642 -7.121 -16.238 92 HG2 GLU 12 2HG GLU 12 3.248 -6.267 -14.470 93 HG3 GLU 12 3HG GLU 12 4.661 -5.669 -13.603 94 H SER 13 H SER 13 7.839 -8.447 -14.340 95 HA SER 13 HA SER 13 8.113 -10.091 -16.714 96 HB2 SER 13 2HB SER 13 9.710 -8.182 -15.812 97 HB3 SER 13 3HB SER 13 10.414 -9.513 -14.894 98 HG SER 13 HG SER 13 10.627 -8.931 -17.541 99 H ALA 14 H ALA 14 7.108 -10.803 -13.764 100 HA ALA 14 HA ALA 14 8.456 -13.423 -13.741 101 HB1 ALA 14 1HB ALA 14 8.655 -13.429 -11.434 102 HB2 ALA 14 2HB ALA 14 9.028 -11.754 -11.846 103 HB3 ALA 14 3HB ALA 14 7.432 -12.175 -11.223 104 H LEU 15 H LEU 15 5.621 -11.855 -14.268 105 HA LEU 15 HA LEU 15 3.829 -13.692 -12.952 106 HB2 LEU 15 2HB LEU 15 3.593 -11.267 -14.609 107 HB3 LEU 15 3HB LEU 15 2.269 -12.421 -14.753 108 HG LEU 15 HG LEU 15 3.201 -11.114 -12.197 109 HD11 LEU 15 1HD1 LEU 15 2.012 -9.390 -12.977 110 HD12 LEU 15 2HD1 LEU 15 0.602 -10.387 -12.620 111 HD13 LEU 15 3HD1 LEU 15 1.269 -10.356 -14.253 112 HD21 LEU 15 3HD2 LEU 15 1.807 -13.516 -12.581 113 HD22 LEU 15 1HD2 LEU 15 0.599 -12.320 -12.108 114 HD23 LEU 15 2HD2 LEU 15 2.002 -12.610 -11.079 115 H SER 16 H SER 16 4.171 -12.836 -16.398 116 HA SER 16 HA SER 16 3.342 -15.560 -17.089 117 HB2 SER 16 2HB SER 16 2.494 -13.169 -18.085 118 HB3 SER 16 3HB SER 16 3.729 -13.606 -19.265 119 HG SER 16 HG SER 16 2.151 -14.754 -20.069 120 H SER 17 H SER 17 6.055 -14.789 -16.143 121 HA SER 17 HA SER 17 7.700 -15.232 -18.513 122 HB2 SER 17 2HB SER 17 8.126 -14.099 -15.844 123 HB3 SER 17 3HB SER 17 9.429 -15.165 -16.368 124 HG SER 17 HG SER 17 8.582 -12.726 -17.422 125 H CYS 18 H CYS 18 6.699 -16.829 -15.557 126 HA CYS 18 HA CYS 18 8.077 -19.266 -16.476 127 HB2 CYS 18 2HB CYS 18 7.427 -18.623 -13.599 128 HB3 CYS 18 3HB CYS 18 8.448 -19.921 -14.206 129 HG CYS 18 HG CYS 18 10.314 -18.308 -13.189 130 H GLN 19 H GLN 19 5.586 -18.714 -17.446 131 HA GLN 19 HA GLN 19 3.794 -20.437 -15.871 132 HB2 GLN 19 2HB GLN 19 3.247 -18.212 -17.819 133 HB3 GLN 19 3HB GLN 19 2.010 -19.391 -17.408 134 HG2 GLN 19 2HG GLN 19 3.451 -17.669 -15.406 135 HG3 GLN 19 3HG GLN 19 1.877 -17.292 -16.105 136 HE21 GLN 19 1HE2 GLN 19 0.572 -19.625 -16.084 137 HE22 GLN 19 2HE2 GLN 19 0.384 -20.216 -14.472 138 H ALA 20 H ALA 20 5.349 -19.984 -18.948 139 HA ALA 20 HA ALA 20 3.841 -22.015 -20.314 140 HB1 ALA 20 1HB ALA 20 5.309 -19.938 -21.189 141 HB2 ALA 20 2HB ALA 20 6.479 -21.244 -21.380 142 HB3 ALA 20 3HB ALA 20 4.911 -21.340 -22.181 143 H ALA 21 H ALA 21 4.854 -23.957 -21.232 144 HA ALA 21 HA ALA 21 6.163 -25.477 -19.208 145 HB1 ALA 21 1HB ALA 21 6.055 -27.318 -20.758 146 HB2 ALA 21 2HB ALA 21 4.530 -26.431 -20.806 147 HB3 ALA 21 3HB ALA 21 5.714 -26.219 -22.095 148 H ASP 22 H ASP 22 7.299 -23.382 -21.600 149 HA ASP 22 HA ASP 22 10.040 -24.231 -21.088 150 HB2 ASP 22 2HB ASP 22 9.187 -25.354 -23.214 151 HB3 ASP 22 3HB ASP 22 9.133 -23.743 -23.923 152 H SER 23 H SER 23 9.187 -22.110 -19.884 153 HA SER 23 HA SER 23 10.206 -19.852 -21.475 154 HB2 SER 23 2HB SER 23 7.729 -19.720 -21.210 155 HB3 SER 23 3HB SER 23 7.951 -19.685 -19.461 156 HG SER 23 HG SER 23 7.971 -17.642 -21.087 157 H PHE 24 H PHE 24 9.749 -21.286 -18.290 158 HA PHE 24 HA PHE 24 11.091 -19.387 -16.748 159 HB2 PHE 24 2HB PHE 24 9.834 -21.087 -15.639 160 HB3 PHE 24 3HB PHE 24 10.772 -22.368 -16.400 161 HD1 PHE 24 HD2 PHE 24 11.931 -19.269 -14.706 162 HD2 PHE 24 HD1 PHE 24 11.753 -23.522 -14.650 163 HE1 PHE 24 HE2 PHE 24 13.448 -19.304 -12.770 164 HE2 PHE 24 HE1 PHE 24 13.269 -23.563 -12.712 165 HZ PHE 24 HZ PHE 24 14.120 -21.452 -11.770 166 H ASN 25 H ASN 25 12.970 -18.614 -17.617 167 HA ASN 25 HA ASN 25 15.080 -20.506 -18.328 168 HB2 ASN 25 2HB ASN 25 16.259 -18.270 -18.964 169 HB3 ASN 25 3HB ASN 25 14.956 -18.874 -19.983 170 HD21 ASN 25 1HD2 ASN 25 16.127 -16.255 -18.288 171 HD22 ASN 25 2HD2 ASN 25 14.701 -15.279 -18.288 172 H TYR 26 H TYR 26 17.299 -20.063 -17.570 173 HA TYR 26 HA TYR 26 17.416 -19.974 -14.759 174 HB2 TYR 26 2HB TYR 26 19.863 -19.992 -15.057 175 HB3 TYR 26 3HB TYR 26 19.072 -21.183 -16.084 176 HD1 TYR 26 HD2 TYR 26 20.794 -17.924 -16.047 177 HD2 TYR 26 HD1 TYR 26 19.188 -21.033 -18.468 178 HE1 TYR 26 HE2 TYR 26 21.928 -16.973 -18.012 179 HE2 TYR 26 HE1 TYR 26 20.318 -20.091 -20.438 180 HH TYR 26 HH TYR 26 21.789 -16.986 -20.404 181 H LYS 27 H LYS 27 17.770 -17.520 -17.209 182 HA LYS 27 HA LYS 27 19.015 -15.554 -15.582 183 HB2 LYS 27 2HB LYS 27 17.988 -15.751 -18.276 184 HB3 LYS 27 3HB LYS 27 17.512 -14.224 -17.544 185 HG2 LYS 27 2HG LYS 27 20.090 -14.245 -16.843 186 HG3 LYS 27 3HG LYS 27 20.185 -15.209 -18.319 187 HD2 LYS 27 2HD LYS 27 18.844 -12.514 -18.146 188 HD3 LYS 27 3HD LYS 27 20.515 -12.754 -18.661 189 HE2 LYS 27 2HE LYS 27 19.857 -13.949 -20.581 190 HE3 LYS 27 3HE LYS 27 18.215 -14.171 -19.978 191 HZ1 LYS 27 3HZ LYS 27 17.822 -12.453 -21.361 192 HZ2 LYS 27 1HZ LYS 27 19.411 -11.874 -21.303 193 HZ3 LYS 27 2HZ LYS 27 18.338 -11.527 -20.043 194 H SER 28 H SER 28 15.658 -16.341 -16.323 195 HA SER 28 HA SER 28 14.417 -14.113 -15.199 196 HB2 SER 28 2HB SER 28 12.422 -15.316 -15.328 197 HB3 SER 28 3HB SER 28 13.422 -16.121 -16.538 198 HG SER 28 HG SER 28 13.525 -17.859 -15.318 199 H PHE 29 H PHE 29 15.385 -17.174 -13.693 200 HA PHE 29 HA PHE 29 14.328 -16.715 -11.150 201 HB2 PHE 29 2HB PHE 29 15.121 -18.908 -11.753 202 HB3 PHE 29 3HB PHE 29 16.754 -18.300 -12.007 203 HD1 PHE 29 HD1 PHE 29 18.121 -17.595 -10.070 204 HD2 PHE 29 HD2 PHE 29 14.341 -19.492 -9.596 205 HE1 PHE 29 HE1 PHE 29 18.680 -18.115 -7.731 206 HE2 PHE 29 HE2 PHE 29 14.893 -20.015 -7.256 207 HZ PHE 29 HZ PHE 29 17.064 -19.325 -6.321 208 H PHE 30 H PHE 30 17.266 -15.569 -12.657 209 HA PHE 30 HA PHE 30 18.522 -14.647 -10.276 210 HB2 PHE 30 2HB PHE 30 19.823 -15.079 -12.293 211 HB3 PHE 30 3HB PHE 30 18.934 -13.831 -13.160 212 HD1 PHE 30 HD1 PHE 30 19.255 -11.455 -12.576 213 HD2 PHE 30 HD2 PHE 30 21.625 -14.540 -10.849 214 HE1 PHE 30 HE1 PHE 30 20.911 -9.780 -11.865 215 HE2 PHE 30 HE2 PHE 30 23.284 -12.870 -10.134 216 HZ PHE 30 HZ PHE 30 22.928 -10.486 -10.641 217 H SER 31 H SER 31 16.709 -12.980 -12.846 218 HA SER 31 HA SER 31 16.505 -10.620 -11.117 219 HB2 SER 31 2HB SER 31 17.289 -10.506 -13.574 220 HB3 SER 31 3HB SER 31 15.592 -10.756 -13.984 221 HG SER 31 HG SER 31 15.351 -8.707 -13.649 222 H THR 32 H THR 32 14.986 -12.884 -10.421 223 HA THR 32 HA THR 32 12.376 -12.949 -11.390 224 HB THR 32 HB THR 32 12.097 -13.518 -8.689 225 HG1 THR 32 HG1 THR 32 13.999 -14.751 -8.236 226 HG21 THR 32 3HG2 THR 32 11.233 -15.210 -9.886 227 HG22 THR 32 1HG2 THR 32 12.846 -15.916 -9.791 228 HG23 THR 32 2HG2 THR 32 12.376 -14.978 -11.209 229 H VAL 33 H VAL 33 10.453 -12.417 -9.809 230 HA VAL 33 HA VAL 33 10.018 -9.697 -9.839 231 HB VAL 33 HB VAL 33 8.167 -11.210 -9.591 232 HG11 VAL 33 1HG1 VAL 33 8.249 -11.912 -6.846 233 HG12 VAL 33 2HG1 VAL 33 8.283 -12.977 -8.253 234 HG13 VAL 33 3HG1 VAL 33 9.791 -12.373 -7.567 235 HG21 VAL 33 3HG2 VAL 33 8.254 -8.844 -8.439 236 HG22 VAL 33 1HG2 VAL 33 6.866 -9.911 -8.222 237 HG23 VAL 33 2HG2 VAL 33 8.100 -9.802 -6.967 238 H GLY 34 H GLY 34 11.586 -11.640 -7.391 239 HA2 GLY 34 2HA GLY 34 13.272 -10.394 -6.065 240 HA3 GLY 34 3HA GLY 34 12.028 -9.178 -5.815 241 H LEU 35 H LEU 35 9.875 -11.011 -5.348 242 HA LEU 35 HA LEU 35 9.982 -11.288 -2.602 243 HB2 LEU 35 2HB LEU 35 8.225 -12.113 -4.741 244 HB3 LEU 35 3HB LEU 35 8.289 -13.328 -3.466 245 HG LEU 35 HG LEU 35 7.503 -10.432 -3.145 246 HD11 LEU 35 1HD1 LEU 35 5.405 -11.895 -2.298 247 HD12 LEU 35 2HD1 LEU 35 6.023 -12.940 -3.576 248 HD13 LEU 35 3HD1 LEU 35 5.573 -11.275 -3.940 249 HD21 LEU 35 3HD2 LEU 35 6.900 -11.165 -0.829 250 HD22 LEU 35 1HD2 LEU 35 8.632 -11.110 -1.157 251 HD23 LEU 35 2HD2 LEU 35 7.788 -12.659 -1.135 252 H SER 36 H SER 36 10.420 -13.864 -5.027 253 HA SER 36 HA SER 36 11.059 -15.901 -3.212 254 HB2 SER 36 2HB SER 36 12.299 -16.851 -5.321 255 HB3 SER 36 3HB SER 36 10.542 -16.697 -5.333 256 HG SER 36 HG SER 36 12.465 -15.281 -6.745 257 H SER 37 H SER 37 12.866 -13.201 -4.257 258 HA SER 37 HA SER 37 15.338 -14.383 -3.173 259 HB2 SER 37 2HB SER 37 15.424 -13.709 -5.586 260 HB3 SER 37 3HB SER 37 15.130 -12.045 -5.082 261 HG SER 37 HG SER 37 17.352 -12.433 -5.319 262 H LYS 38 H LYS 38 13.075 -13.007 -1.783 263 HA LYS 38 HA LYS 38 14.450 -10.627 -0.754 264 HB2 LYS 38 2HB LYS 38 11.603 -11.522 -0.825 265 HB3 LYS 38 3HB LYS 38 12.111 -10.460 0.481 266 HG2 LYS 38 2HG LYS 38 12.940 -9.615 -2.207 267 HG3 LYS 38 3HG LYS 38 11.200 -9.610 -1.913 268 HD2 LYS 38 2HD LYS 38 11.489 -8.183 0.015 269 HD3 LYS 38 3HD LYS 38 13.245 -8.273 -0.142 270 HE2 LYS 38 2HE LYS 38 12.941 -7.267 -2.452 271 HE3 LYS 38 3HE LYS 38 11.276 -6.932 -1.979 272 HZ1 LYS 38 3HZ LYS 38 12.075 -5.045 -1.150 273 HZ2 LYS 38 1HZ LYS 38 13.683 -5.560 -1.258 274 HZ3 LYS 38 2HZ LYS 38 12.752 -5.969 0.094 275 H THR 39 H THR 39 14.291 -10.255 1.621 276 HA THR 39 HA THR 39 15.281 -12.559 3.016 277 HB THR 39 HB THR 39 15.518 -9.780 3.336 278 HG1 THR 39 HG1 THR 39 16.829 -10.661 5.241 279 HG21 THR 39 3HG2 THR 39 14.928 -9.380 5.645 280 HG22 THR 39 1HG2 THR 39 14.334 -11.031 5.817 281 HG23 THR 39 2HG2 THR 39 13.489 -9.895 4.765 282 HA PRO 40 HA PRO 40 11.632 -13.997 4.989 283 HB2 PRO 40 2HB PRO 40 12.599 -14.786 7.400 284 HB3 PRO 40 3HB PRO 40 12.921 -15.666 5.901 285 HG2 PRO 40 2HG PRO 40 14.656 -13.710 7.358 286 HG3 PRO 40 3HG PRO 40 15.099 -15.252 6.603 287 HD2 PRO 40 2HD PRO 40 15.548 -12.864 5.410 288 HD3 PRO 40 3HD PRO 40 15.183 -14.337 4.489 289 H ASP 41 H ASP 41 10.973 -11.603 5.013 290 HA ASP 41 HA ASP 41 9.849 -11.001 7.521 291 HB2 ASP 41 2HB ASP 41 12.410 -10.304 7.650 292 HB3 ASP 41 3HB ASP 41 11.813 -8.868 6.823 293 H GLN 42 H GLN 42 11.015 -9.596 4.483 294 HA GLN 42 HA GLN 42 8.885 -7.671 4.363 295 HB2 GLN 42 2HB GLN 42 10.760 -8.534 2.156 296 HB3 GLN 42 3HB GLN 42 9.800 -7.061 2.209 297 HG2 GLN 42 2HG GLN 42 11.898 -7.675 4.263 298 HG3 GLN 42 3HG GLN 42 12.271 -6.862 2.744 299 HE21 GLN 42 1HE2 GLN 42 12.730 -5.679 5.195 300 HE22 GLN 42 2HE2 GLN 42 11.659 -4.337 5.388 301 H ILE 43 H ILE 43 9.384 -10.924 3.305 302 HA ILE 43 HA ILE 43 7.558 -11.073 1.190 303 HB ILE 43 HB ILE 43 8.230 -13.236 3.188 304 HG12 ILE 43 2HG1 ILE 43 9.475 -12.676 0.489 305 HG13 ILE 43 3HG1 ILE 43 10.195 -12.209 2.026 306 HG21 ILE 43 1HG2 ILE 43 7.748 -14.511 0.857 307 HG22 ILE 43 2HG2 ILE 43 6.537 -14.261 2.114 308 HG23 ILE 43 3HG2 ILE 43 6.612 -13.169 0.732 309 HD11 ILE 43 3HD1 ILE 43 10.823 -14.456 0.758 310 HD12 ILE 43 1HD1 ILE 43 10.843 -14.316 2.515 311 HD13 ILE 43 2HD1 ILE 43 9.459 -15.051 1.704 312 H LYS 44 H LYS 44 7.093 -11.241 4.670 313 HA LYS 44 HA LYS 44 4.395 -12.109 4.608 314 HB2 LYS 44 2HB LYS 44 4.370 -11.749 6.915 315 HB3 LYS 44 3HB LYS 44 6.060 -12.101 6.581 316 HG2 LYS 44 2HG LYS 44 6.273 -9.512 6.387 317 HG3 LYS 44 3HG LYS 44 4.773 -9.515 7.318 318 HD2 LYS 44 2HD LYS 44 6.193 -11.270 8.765 319 HD3 LYS 44 3HD LYS 44 7.514 -10.294 8.119 320 HE2 LYS 44 2HE LYS 44 6.893 -8.440 9.281 321 HE3 LYS 44 3HE LYS 44 5.178 -8.844 9.222 322 HZ1 LYS 44 3HZ LYS 44 7.229 -10.033 11.007 323 HZ2 LYS 44 1HZ LYS 44 5.645 -10.611 10.872 324 HZ3 LYS 44 2HZ LYS 44 5.927 -9.051 11.459 325 H LYS 45 H LYS 45 5.930 -8.951 4.514 326 HA LYS 45 HA LYS 45 3.567 -7.427 4.906 327 HB2 LYS 45 2HB LYS 45 6.297 -6.812 3.813 328 HB3 LYS 45 3HB LYS 45 5.014 -5.610 3.755 329 HG2 LYS 45 2HG LYS 45 5.993 -5.038 5.725 330 HG3 LYS 45 3HG LYS 45 4.807 -6.206 6.314 331 HD2 LYS 45 2HD LYS 45 6.400 -7.610 7.012 332 HD3 LYS 45 3HD LYS 45 7.294 -7.469 5.496 333 HE2 LYS 45 2HE LYS 45 7.381 -5.527 7.804 334 HE3 LYS 45 3HE LYS 45 8.633 -6.695 7.383 335 HZ1 LYS 45 3HZ LYS 45 8.492 -5.448 5.096 336 HZ2 LYS 45 1HZ LYS 45 9.440 -4.847 6.362 337 HZ3 LYS 45 2HZ LYS 45 7.913 -4.185 6.062 338 H VAL 46 H VAL 46 4.741 -9.222 2.271 339 HA VAL 46 HA VAL 46 3.310 -7.668 0.266 340 HB VAL 46 HB VAL 46 4.885 -10.234 -0.001 341 HG11 VAL 46 1HG1 VAL 46 3.516 -8.495 -2.039 342 HG12 VAL 46 2HG1 VAL 46 4.804 -9.627 -2.459 343 HG13 VAL 46 3HG1 VAL 46 3.300 -10.222 -1.754 344 HG21 VAL 46 3HG2 VAL 46 6.439 -8.560 0.492 345 HG22 VAL 46 1HG2 VAL 46 6.436 -8.629 -1.270 346 HG23 VAL 46 2HG2 VAL 46 5.563 -7.343 -0.437 347 H PHE 47 H PHE 47 2.830 -10.408 2.288 348 HA PHE 47 HA PHE 47 0.774 -11.615 0.674 349 HB2 PHE 47 2HB PHE 47 1.632 -13.282 1.958 350 HB3 PHE 47 3HB PHE 47 2.093 -12.185 3.255 351 HD1 PHE 47 HD2 PHE 47 -0.862 -13.835 1.723 352 HD2 PHE 47 HD1 PHE 47 0.854 -12.107 5.213 353 HE1 PHE 47 HE2 PHE 47 -2.792 -14.596 3.044 354 HE2 PHE 47 HE1 PHE 47 -1.073 -12.866 6.541 355 HZ PHE 47 HZ PHE 47 -2.900 -14.111 5.457 356 H GLY 48 H GLY 48 0.956 -9.189 3.135 357 HA2 GLY 48 2HA GLY 48 -1.770 -9.325 3.977 358 HA3 GLY 48 3HA GLY 48 -0.656 -7.998 4.271 359 H ILE 49 H ILE 49 -0.397 -8.306 1.099 360 HA ILE 49 HA ILE 49 -2.408 -6.245 0.600 361 HB ILE 49 HB ILE 49 -0.253 -7.174 -1.292 362 HG12 ILE 49 2HG1 ILE 49 -0.142 -4.896 0.697 363 HG13 ILE 49 3HG1 ILE 49 0.739 -6.413 0.842 364 HG21 ILE 49 1HG2 ILE 49 -2.398 -5.271 -1.443 365 HG22 ILE 49 2HG2 ILE 49 -0.844 -4.459 -1.625 366 HG23 ILE 49 3HG2 ILE 49 -1.274 -5.791 -2.698 367 HD11 ILE 49 3HD1 ILE 49 1.271 -5.227 -1.706 368 HD12 ILE 49 1HD1 ILE 49 1.563 -4.056 -0.420 369 HD13 ILE 49 2HD1 ILE 49 2.385 -5.617 -0.396 370 H LEU 50 H LEU 50 -1.991 -9.561 0.184 371 HA LEU 50 HA LEU 50 -3.486 -9.812 -2.269 372 HB2 LEU 50 2HB LEU 50 -3.095 -12.093 -0.397 373 HB3 LEU 50 3HB LEU 50 -3.057 -12.064 -2.159 374 HG LEU 50 HG LEU 50 -0.883 -11.124 -0.291 375 HD11 LEU 50 1HD1 LEU 50 -1.167 -13.490 -2.125 376 HD12 LEU 50 2HD1 LEU 50 -0.879 -13.486 -0.386 377 HD13 LEU 50 3HD1 LEU 50 0.385 -12.943 -1.489 378 HD21 LEU 50 3HD2 LEU 50 0.215 -11.179 -2.774 379 HD22 LEU 50 1HD2 LEU 50 -0.385 -9.726 -1.975 380 HD23 LEU 50 2HD2 LEU 50 -1.408 -10.584 -3.127 381 H ASP 51 H ASP 51 -4.079 -10.815 1.104 382 HA ASP 51 HA ASP 51 -6.691 -11.641 0.860 383 HB2 ASP 51 2HB ASP 51 -5.042 -11.520 2.929 384 HB3 ASP 51 3HB ASP 51 -5.949 -10.051 3.277 385 H GLN 52 H GLN 52 -8.666 -10.517 1.738 386 HA GLN 52 HA GLN 52 -8.726 -7.717 0.821 387 HB2 GLN 52 2HB GLN 52 -11.284 -8.430 0.484 388 HB3 GLN 52 3HB GLN 52 -10.071 -8.619 -0.776 389 HG2 GLN 52 2HG GLN 52 -10.010 -10.884 -0.578 390 HG3 GLN 52 3HG GLN 52 -10.450 -10.859 1.129 391 HE21 GLN 52 1HE2 GLN 52 -11.603 -10.873 -2.130 392 HE22 GLN 52 2HE2 GLN 52 -13.270 -11.135 -1.763 393 H ASP 53 H ASP 53 -10.595 -10.025 2.799 394 HA ASP 53 HA ASP 53 -11.583 -7.878 4.468 395 HB2 ASP 53 2HB ASP 53 -12.823 -10.059 3.746 396 HB3 ASP 53 3HB ASP 53 -11.950 -10.790 5.091 397 H LYS 54 H LYS 54 -8.881 -9.922 4.413 398 HA LYS 54 HA LYS 54 -7.180 -10.329 5.867 399 HB2 LYS 54 2HB LYS 54 -8.290 -7.796 7.075 400 HB3 LYS 54 3HB LYS 54 -6.815 -8.564 7.644 401 HG2 LYS 54 2HG LYS 54 -7.005 -7.992 4.747 402 HG3 LYS 54 3HG LYS 54 -6.819 -6.617 5.837 403 HD2 LYS 54 2HD LYS 54 -4.954 -8.301 6.838 404 HD3 LYS 54 3HD LYS 54 -4.915 -8.753 5.132 405 HE2 LYS 54 2HE LYS 54 -4.484 -6.467 4.493 406 HE3 LYS 54 3HE LYS 54 -4.670 -5.929 6.161 407 HZ1 LYS 54 3HZ LYS 54 -2.327 -6.588 4.980 408 HZ2 LYS 54 1HZ LYS 54 -2.701 -7.998 5.839 409 HZ3 LYS 54 2HZ LYS 54 -2.590 -6.518 6.650 410 H SER 55 H SER 55 -8.782 -12.179 6.379 411 HA SER 55 HA SER 55 -9.872 -12.050 9.074 412 HB2 SER 55 2HB SER 55 -9.874 -14.539 7.402 413 HB3 SER 55 3HB SER 55 -11.075 -13.975 8.563 414 HG SER 55 HG SER 55 -12.025 -12.882 7.036 415 H GLY 56 H GLY 56 -6.884 -12.290 8.114 416 HA2 GLY 56 2HA GLY 56 -5.106 -12.930 9.544 417 HA3 GLY 56 3HA GLY 56 -6.160 -14.133 10.274 418 H PHE 57 H PHE 57 -7.050 -15.106 7.626 419 HA PHE 57 HA PHE 57 -4.642 -16.175 6.415 420 HB2 PHE 57 2HB PHE 57 -6.686 -18.046 7.628 421 HB3 PHE 57 3HB PHE 57 -5.220 -18.505 6.769 422 HD1 PHE 57 HD2 PHE 57 -6.579 -17.147 9.886 423 HD2 PHE 57 HD1 PHE 57 -3.069 -18.402 7.831 424 HE1 PHE 57 HE2 PHE 57 -5.343 -17.159 12.013 425 HE2 PHE 57 HE1 PHE 57 -1.827 -18.416 9.955 426 HZ PHE 57 HZ PHE 57 -2.963 -17.792 12.049 427 H ILE 58 H ILE 58 -4.939 -16.185 4.293 428 HA ILE 58 HA ILE 58 -7.521 -15.741 3.148 429 HB ILE 58 HB ILE 58 -4.780 -16.139 1.995 430 HG12 ILE 58 2HG1 ILE 58 -6.727 -13.867 1.615 431 HG13 ILE 58 3HG1 ILE 58 -5.614 -13.936 2.977 432 HG21 ILE 58 1HG2 ILE 58 -6.063 -17.283 0.399 433 HG22 ILE 58 2HG2 ILE 58 -7.401 -16.142 0.533 434 HG23 ILE 58 3HG2 ILE 58 -5.896 -15.650 -0.244 435 HD11 ILE 58 3HD1 ILE 58 -4.063 -14.386 0.691 436 HD12 ILE 58 1HD1 ILE 58 -5.152 -13.056 0.297 437 HD13 ILE 58 2HD1 ILE 58 -4.101 -12.947 1.710 438 H GLU 59 H GLU 59 -8.984 -17.282 2.870 439 HA GLU 59 HA GLU 59 -8.243 -20.066 2.778 440 HB2 GLU 59 2HB GLU 59 -10.996 -18.942 2.294 441 HB3 GLU 59 3HB GLU 59 -10.565 -20.540 2.887 442 HG2 GLU 59 2HG GLU 59 -10.851 -19.791 4.944 443 HG3 GLU 59 3HG GLU 59 -9.453 -18.743 4.713 444 H GLU 60 H GLU 60 -9.290 -21.492 1.078 445 HA GLU 60 HA GLU 60 -8.207 -21.020 -1.407 446 HB2 GLU 60 2HB GLU 60 -9.076 -23.210 -0.545 447 HB3 GLU 60 3HB GLU 60 -10.702 -22.646 -0.903 448 HG2 GLU 60 2HG GLU 60 -8.752 -22.512 -3.112 449 HG3 GLU 60 3HG GLU 60 -9.246 -24.121 -2.590 450 H GLU 61 H GLU 61 -11.243 -19.919 -0.109 451 HA GLU 61 HA GLU 61 -12.528 -19.246 -2.525 452 HB2 GLU 61 2HB GLU 61 -12.844 -17.875 0.149 453 HB3 GLU 61 3HB GLU 61 -14.000 -17.879 -1.175 454 HG2 GLU 61 2HG GLU 61 -13.181 -20.219 0.526 455 HG3 GLU 61 3HG GLU 61 -14.742 -19.401 0.512 456 H GLU 62 H GLU 62 -10.516 -17.319 -0.319 457 HA GLU 62 HA GLU 62 -10.548 -15.069 -2.155 458 HB2 GLU 62 2HB GLU 62 -9.951 -15.479 0.649 459 HB3 GLU 62 3HB GLU 62 -8.675 -14.561 -0.139 460 HG2 GLU 62 2HG GLU 62 -10.134 -12.935 0.632 461 HG3 GLU 62 3HG GLU 62 -10.558 -13.102 -1.071 462 H LEU 63 H LEU 63 -8.847 -17.894 -1.920 463 HA LEU 63 HA LEU 63 -6.223 -16.916 -2.563 464 HB2 LEU 63 2HB LEU 63 -6.912 -19.141 -1.425 465 HB3 LEU 63 3HB LEU 63 -7.155 -19.714 -3.074 466 HG LEU 63 HG LEU 63 -4.773 -19.168 -3.549 467 HD11 LEU 63 1HD1 LEU 63 -4.975 -17.908 -0.997 468 HD12 LEU 63 2HD1 LEU 63 -3.634 -17.893 -2.141 469 HD13 LEU 63 3HD1 LEU 63 -3.742 -19.167 -0.927 470 HD21 LEU 63 3HD2 LEU 63 -4.193 -21.253 -2.968 471 HD22 LEU 63 1HD2 LEU 63 -5.848 -21.378 -2.370 472 HD23 LEU 63 2HD2 LEU 63 -4.537 -20.979 -1.259 473 H GLN 64 H GLN 64 -9.071 -17.797 -4.320 474 HA GLN 64 HA GLN 64 -7.849 -18.303 -6.831 475 HB2 GLN 64 2HB GLN 64 -10.032 -18.309 -7.734 476 HB3 GLN 64 3HB GLN 64 -10.198 -18.952 -6.106 477 HG2 GLN 64 2HG GLN 64 -10.934 -16.731 -5.334 478 HG3 GLN 64 3HG GLN 64 -10.841 -16.151 -6.996 479 HE21 GLN 64 1HE2 GLN 64 -11.910 -18.173 -8.421 480 HE22 GLN 64 2HE2 GLN 64 -13.562 -18.421 -7.980 481 H LEU 65 H LEU 65 -7.970 -15.524 -5.063 482 HA LEU 65 HA LEU 65 -8.096 -13.778 -7.423 483 HB2 LEU 65 2HB LEU 65 -7.998 -12.841 -4.577 484 HB3 LEU 65 3HB LEU 65 -8.585 -11.983 -5.999 485 HG LEU 65 HG LEU 65 -9.980 -14.403 -4.881 486 HD11 LEU 65 1HD1 LEU 65 -11.479 -12.909 -3.712 487 HD12 LEU 65 2HD1 LEU 65 -10.555 -11.510 -4.258 488 HD13 LEU 65 3HD1 LEU 65 -9.828 -12.667 -3.143 489 HD21 LEU 65 3HD2 LEU 65 -11.422 -12.260 -6.288 490 HD22 LEU 65 1HD2 LEU 65 -11.580 -14.012 -6.414 491 HD23 LEU 65 2HD2 LEU 65 -10.282 -13.179 -7.271 492 H PHE 66 H PHE 66 -5.819 -15.526 -6.361 493 HA PHE 66 HA PHE 66 -3.775 -13.833 -5.408 494 HB2 PHE 66 2HB PHE 66 -3.604 -16.236 -5.152 495 HB3 PHE 66 3HB PHE 66 -3.621 -16.460 -6.898 496 HD1 PHE 66 HD1 PHE 66 -1.647 -15.094 -4.088 497 HD2 PHE 66 HD2 PHE 66 -1.643 -16.334 -8.160 498 HE1 PHE 66 HE1 PHE 66 0.809 -14.958 -4.124 499 HE2 PHE 66 HE2 PHE 66 0.813 -16.201 -8.202 500 HZ PHE 66 HZ PHE 66 2.043 -15.513 -6.182 501 H LEU 67 H LEU 67 -5.012 -14.469 -8.586 502 HA LEU 67 HA LEU 67 -2.735 -13.299 -9.936 503 HB2 LEU 67 2HB LEU 67 -5.339 -14.483 -10.794 504 HB3 LEU 67 3HB LEU 67 -4.424 -13.480 -11.919 505 HG LEU 67 HG LEU 67 -3.362 -15.976 -10.599 506 HD11 LEU 67 1HD1 LEU 67 -5.279 -15.842 -12.579 507 HD12 LEU 67 2HD1 LEU 67 -4.234 -17.218 -12.227 508 HD13 LEU 67 3HD1 LEU 67 -3.772 -16.056 -13.470 509 HD21 LEU 67 3HD2 LEU 67 -1.803 -15.635 -12.711 510 HD22 LEU 67 1HD2 LEU 67 -1.461 -14.855 -11.167 511 HD23 LEU 67 2HD2 LEU 67 -2.247 -13.946 -12.459 512 H LYS 68 H LYS 68 -5.057 -11.988 -8.125 513 HA LYS 68 HA LYS 68 -5.639 -9.723 -9.883 514 HB2 LYS 68 2HB LYS 68 -6.658 -10.271 -7.090 515 HB3 LYS 68 3HB LYS 68 -7.250 -9.042 -8.200 516 HG2 LYS 68 2HG LYS 68 -7.362 -11.982 -8.809 517 HG3 LYS 68 3HG LYS 68 -8.661 -11.113 -7.988 518 HD2 LYS 68 2HD LYS 68 -7.865 -9.669 -10.333 519 HD3 LYS 68 3HD LYS 68 -8.215 -11.346 -10.759 520 HE2 LYS 68 2HE LYS 68 -10.404 -11.197 -9.794 521 HE3 LYS 68 3HE LYS 68 -10.055 -9.603 -9.128 522 HZ1 LYS 68 3HZ LYS 68 -11.174 -9.008 -10.995 523 HZ2 LYS 68 1HZ LYS 68 -10.696 -10.372 -11.875 524 HZ3 LYS 68 2HZ LYS 68 -9.620 -9.086 -11.658 525 H ASN 69 H ASN 69 -3.524 -10.646 -7.378 526 HA ASN 69 HA ASN 69 -3.015 -7.934 -6.472 527 HB2 ASN 69 2HB ASN 69 -1.293 -10.265 -5.719 528 HB3 ASN 69 3HB ASN 69 -1.754 -8.863 -4.759 529 HD21 ASN 69 1HD2 ASN 69 -4.445 -8.838 -4.953 530 HD22 ASN 69 2HD2 ASN 69 -5.113 -10.269 -4.252 531 H PHE 70 H PHE 70 -1.882 -10.084 -8.865 532 HA PHE 70 HA PHE 70 0.575 -8.501 -9.218 533 HB2 PHE 70 2HB PHE 70 -0.105 -11.287 -10.177 534 HB3 PHE 70 3HB PHE 70 1.368 -10.422 -10.604 535 HD1 PHE 70 HD2 PHE 70 -0.548 -11.733 -7.711 536 HD2 PHE 70 HD1 PHE 70 3.238 -10.514 -9.225 537 HE1 PHE 70 HE2 PHE 70 0.537 -12.585 -5.674 538 HE2 PHE 70 HE1 PHE 70 4.330 -11.364 -7.190 539 HZ PHE 70 HZ PHE 70 2.979 -12.400 -5.410 540 H SER 71 H SER 71 -2.012 -10.105 -11.064 541 HA SER 71 HA SER 71 -1.576 -8.142 -13.217 542 HB2 SER 71 2HB SER 71 -1.472 -10.832 -13.475 543 HB3 SER 71 3HB SER 71 -3.187 -10.562 -13.786 544 HG SER 71 HG SER 71 -0.950 -9.687 -15.229 545 H SER 72 H SER 72 -3.484 -7.393 -14.363 546 HA SER 72 HA SER 72 -5.859 -7.311 -12.620 547 HB2 SER 72 2HB SER 72 -4.725 -5.180 -14.442 548 HB3 SER 72 3HB SER 72 -6.310 -5.071 -13.676 549 HG SER 72 HG SER 72 -4.204 -4.187 -12.627 550 H SER 73 H SER 73 -5.032 -9.070 -14.974 551 HA SER 73 HA SER 73 -7.426 -8.586 -16.625 552 HB2 SER 73 2HB SER 73 -5.275 -8.283 -17.851 553 HB3 SER 73 3HB SER 73 -4.873 -9.963 -17.492 554 HG SER 73 HG SER 73 -5.909 -9.497 -19.593 555 H ALA 74 H ALA 74 -5.414 -10.965 -15.003 556 HA ALA 74 HA ALA 74 -6.923 -13.244 -15.788 557 HB1 ALA 74 1HB ALA 74 -4.826 -13.852 -15.105 558 HB2 ALA 74 2HB ALA 74 -4.803 -12.696 -13.773 559 HB3 ALA 74 3HB ALA 74 -5.741 -14.183 -13.634 560 H ARG 75 H ARG 75 -9.016 -13.420 -15.293 561 HA ARG 75 HA ARG 75 -10.464 -12.150 -13.361 562 HB2 ARG 75 2HB ARG 75 -11.838 -14.443 -13.420 563 HB3 ARG 75 3HB ARG 75 -11.864 -13.289 -14.747 564 HG2 ARG 75 2HG ARG 75 -10.708 -14.646 -16.132 565 HG3 ARG 75 3HG ARG 75 -9.733 -15.327 -14.829 566 HD2 ARG 75 2HD ARG 75 -11.358 -16.909 -15.936 567 HD3 ARG 75 3HD ARG 75 -11.461 -16.803 -14.180 568 HE ARG 75 HE ARG 75 -13.263 -15.039 -15.565 569 HH11 ARG 75 1HH1 ARG 75 -12.801 -18.237 -14.270 570 HH12 ARG 75 2HH1 ARG 75 -14.496 -18.552 -14.095 571 HH21 ARG 75 1HH2 ARG 75 -15.496 -15.442 -15.340 572 HH22 ARG 75 2HH2 ARG 75 -16.028 -16.962 -14.705 573 H VAL 76 H VAL 76 -9.736 -15.605 -12.954 574 HA VAL 76 HA VAL 76 -8.668 -15.171 -10.301 575 HB VAL 76 HB VAL 76 -10.354 -16.854 -9.336 576 HG11 VAL 76 1HG1 VAL 76 -10.173 -14.357 -8.881 577 HG12 VAL 76 2HG1 VAL 76 -11.521 -14.166 -10.004 578 HG13 VAL 76 3HG1 VAL 76 -11.724 -15.120 -8.534 579 HG21 VAL 76 3HG2 VAL 76 -11.925 -15.875 -11.719 580 HG22 VAL 76 1HG2 VAL 76 -11.381 -17.528 -11.434 581 HG23 VAL 76 2HG2 VAL 76 -12.583 -16.799 -10.369 582 H LEU 77 H LEU 77 -7.892 -17.174 -9.310 583 HA LEU 77 HA LEU 77 -6.358 -18.724 -10.988 584 HB2 LEU 77 2HB LEU 77 -7.477 -19.533 -8.309 585 HB3 LEU 77 3HB LEU 77 -6.097 -20.274 -9.115 586 HG LEU 77 HG LEU 77 -6.289 -17.597 -7.779 587 HD11 LEU 77 1HD1 LEU 77 -4.029 -18.498 -6.924 588 HD12 LEU 77 2HD1 LEU 77 -4.597 -20.054 -7.529 589 HD13 LEU 77 3HD1 LEU 77 -5.517 -19.200 -6.290 590 HD21 LEU 77 3HD2 LEU 77 -4.213 -18.464 -9.788 591 HD22 LEU 77 1HD2 LEU 77 -4.080 -17.058 -8.732 592 HD23 LEU 77 2HD2 LEU 77 -5.348 -17.124 -9.956 593 H THR 78 H THR 78 -6.484 -21.109 -11.329 594 HA THR 78 HA THR 78 -9.252 -21.915 -11.949 595 HB THR 78 HB THR 78 -8.635 -22.801 -13.968 596 HG1 THR 78 HG1 THR 78 -7.085 -24.252 -13.526 597 HG21 THR 78 3HG2 THR 78 -6.330 -20.887 -13.791 598 HG22 THR 78 1HG2 THR 78 -7.996 -20.311 -13.773 599 HG23 THR 78 2HG2 THR 78 -7.392 -21.219 -15.159 600 H SER 79 H SER 79 -8.887 -24.523 -12.602 601 HA SER 79 HA SER 79 -8.544 -25.729 -10.022 602 HB2 SER 79 2HB SER 79 -10.183 -26.355 -11.994 603 HB3 SER 79 3HB SER 79 -8.831 -27.358 -12.517 604 HG SER 79 HG SER 79 -9.575 -28.729 -11.115 605 H ALA 80 H ALA 80 -6.166 -24.710 -10.379 606 HA ALA 80 HA ALA 80 -4.403 -26.892 -10.266 607 HB1 ALA 80 1HB ALA 80 -3.327 -25.507 -12.527 608 HB2 ALA 80 2HB ALA 80 -3.719 -27.218 -12.351 609 HB3 ALA 80 3HB ALA 80 -4.951 -26.084 -12.903 610 H GLU 81 H GLU 81 -4.783 -23.449 -10.924 611 HA GLU 81 HA GLU 81 -2.175 -22.733 -9.994 612 HB2 GLU 81 2HB GLU 81 -4.547 -20.883 -10.166 613 HB3 GLU 81 3HB GLU 81 -2.841 -20.480 -10.307 614 HG2 GLU 81 2HG GLU 81 -2.965 -22.089 -12.377 615 HG3 GLU 81 3HG GLU 81 -4.679 -21.685 -12.307 616 H THR 82 H THR 82 -5.440 -22.562 -8.608 617 HA THR 82 HA THR 82 -4.624 -21.445 -6.132 618 HB THR 82 HB THR 82 -7.046 -23.108 -6.052 619 HG1 THR 82 HG1 THR 82 -8.141 -21.541 -7.467 620 HG21 THR 82 3HG2 THR 82 -7.181 -20.179 -5.780 621 HG22 THR 82 1HG2 THR 82 -6.091 -20.989 -4.657 622 HG23 THR 82 2HG2 THR 82 -7.793 -21.446 -4.717 623 H LYS 83 H LYS 83 -5.027 -24.738 -7.294 624 HA LYS 83 HA LYS 83 -4.746 -25.983 -4.745 625 HB2 LYS 83 2HB LYS 83 -4.306 -27.125 -7.511 626 HB3 LYS 83 3HB LYS 83 -4.462 -28.061 -6.030 627 HG2 LYS 83 2HG LYS 83 -6.644 -26.199 -6.865 628 HG3 LYS 83 3HG LYS 83 -6.502 -27.798 -7.597 629 HD2 LYS 83 2HD LYS 83 -6.906 -28.892 -5.584 630 HD3 LYS 83 3HD LYS 83 -6.471 -27.480 -4.618 631 HE2 LYS 83 2HE LYS 83 -8.756 -27.439 -4.423 632 HE3 LYS 83 3HE LYS 83 -8.534 -26.407 -5.834 633 HZ1 LYS 83 3HZ LYS 83 -10.282 -28.260 -5.929 634 HZ2 LYS 83 1HZ LYS 83 -8.971 -29.306 -6.150 635 HZ3 LYS 83 2HZ LYS 83 -9.256 -28.061 -7.259 636 H ALA 84 H ALA 84 -2.521 -25.418 -7.457 637 HA ALA 84 HA ALA 84 -0.277 -26.636 -6.224 638 HB1 ALA 84 1HB ALA 84 -0.042 -24.477 -8.286 639 HB2 ALA 84 2HB ALA 84 0.958 -25.911 -8.053 640 HB3 ALA 84 3HB ALA 84 -0.671 -26.069 -8.709 641 H PHE 85 H PHE 85 -1.886 -23.770 -5.548 642 HA PHE 85 HA PHE 85 0.511 -22.483 -4.448 643 HB2 PHE 85 2HB PHE 85 -0.990 -21.145 -5.932 644 HB3 PHE 85 3HB PHE 85 -2.271 -21.334 -4.738 645 HD1 PHE 85 HD1 PHE 85 1.162 -20.002 -5.193 646 HD2 PHE 85 HD2 PHE 85 -2.456 -19.851 -2.956 647 HE1 PHE 85 HE1 PHE 85 1.984 -18.010 -4.004 648 HE2 PHE 85 HE2 PHE 85 -1.640 -17.859 -1.764 649 HZ PHE 85 HZ PHE 85 0.582 -16.936 -2.288 650 H LEU 86 H LEU 86 -2.800 -23.401 -3.547 651 HA LEU 86 HA LEU 86 -2.534 -22.733 -0.809 652 HB2 LEU 86 2HB LEU 86 -4.632 -23.264 -2.326 653 HB3 LEU 86 3HB LEU 86 -4.393 -24.885 -1.679 654 HG LEU 86 HG LEU 86 -4.598 -22.552 0.181 655 HD11 LEU 86 1HD1 LEU 86 -7.111 -23.925 -0.204 656 HD12 LEU 86 2HD1 LEU 86 -6.583 -23.111 -1.676 657 HD13 LEU 86 3HD1 LEU 86 -6.761 -22.197 -0.179 658 HD21 LEU 86 3HD2 LEU 86 -4.725 -24.124 1.760 659 HD22 LEU 86 1HD2 LEU 86 -4.170 -25.250 0.521 660 HD23 LEU 86 2HD2 LEU 86 -5.895 -25.072 0.841 661 H ALA 87 H ALA 87 -2.481 -25.890 -2.464 662 HA ALA 87 HA ALA 87 -1.792 -27.382 -0.168 663 HB1 ALA 87 1HB ALA 87 -1.338 -29.204 -1.688 664 HB2 ALA 87 2HB ALA 87 -2.801 -28.359 -2.196 665 HB3 ALA 87 3HB ALA 87 -1.284 -28.090 -3.054 666 H ALA 88 H ALA 88 0.029 -25.273 -2.098 667 HA ALA 88 HA ALA 88 2.576 -26.535 -1.398 668 HB1 ALA 88 1HB ALA 88 3.601 -25.040 -2.960 669 HB2 ALA 88 2HB ALA 88 2.174 -25.739 -3.725 670 HB3 ALA 88 3HB ALA 88 2.122 -24.090 -3.100 671 H GLY 89 H GLY 89 0.566 -23.804 -0.613 672 HA2 GLY 89 2HA GLY 89 2.704 -22.575 0.969 673 HA3 GLY 89 3HA GLY 89 1.145 -21.853 0.603 674 H ASP 90 H ASP 90 -0.734 -23.370 1.499 675 HA ASP 90 HA ASP 90 -0.741 -23.106 4.254 676 HB2 ASP 90 2HB ASP 90 -2.848 -23.323 3.254 677 HB3 ASP 90 3HB ASP 90 -2.382 -24.773 2.369 678 H THR 91 H THR 91 0.854 -23.984 5.450 679 HA THR 91 HA THR 91 1.456 -26.839 5.106 680 HB THR 91 HB THR 91 3.417 -26.291 6.654 681 HG1 THR 91 HG1 THR 91 3.420 -24.320 7.404 682 HG21 THR 91 3HG2 THR 91 4.330 -24.752 4.544 683 HG22 THR 91 1HG2 THR 91 3.031 -25.706 3.830 684 HG23 THR 91 2HG2 THR 91 4.373 -26.512 4.642 685 H ASP 92 H ASP 92 0.354 -24.454 7.429 686 HA ASP 92 HA ASP 92 0.493 -25.934 9.778 687 HB2 ASP 92 2HB ASP 92 -1.482 -24.506 10.504 688 HB3 ASP 92 3HB ASP 92 -0.056 -23.633 9.950 689 H GLY 93 H GLY 93 -1.640 -26.249 7.070 690 HA2 GLY 93 2HA GLY 93 -3.136 -27.928 6.562 691 HA3 GLY 93 3HA GLY 93 -2.666 -28.729 8.054 692 H ASP 94 H ASP 94 -4.049 -25.496 7.626 693 HA ASP 94 HA ASP 94 -6.236 -26.293 9.415 694 HB2 ASP 94 2HB ASP 94 -4.774 -24.353 10.056 695 HB3 ASP 94 3HB ASP 94 -5.393 -23.493 8.649 696 H GLY 95 H GLY 95 -5.564 -24.717 6.324 697 HA2 GLY 95 2HA GLY 95 -7.263 -25.470 4.589 698 HA3 GLY 95 3HA GLY 95 -8.450 -24.828 5.714 699 H LYS 96 H LYS 96 -5.850 -22.868 6.010 700 HA LYS 96 HA LYS 96 -6.333 -21.215 3.674 701 HB2 LYS 96 2HB LYS 96 -6.574 -19.280 5.572 702 HB3 LYS 96 3HB LYS 96 -7.928 -20.020 4.729 703 HG2 LYS 96 2HG LYS 96 -8.370 -19.964 7.093 704 HG3 LYS 96 3HG LYS 96 -8.163 -21.637 6.569 705 HD2 LYS 96 2HD LYS 96 -6.308 -21.925 7.814 706 HD3 LYS 96 3HD LYS 96 -5.698 -20.306 7.459 707 HE2 LYS 96 2HE LYS 96 -6.256 -20.678 9.857 708 HE3 LYS 96 3HE LYS 96 -7.128 -19.336 9.117 709 HZ1 LYS 96 3HZ LYS 96 -8.461 -21.910 9.010 710 HZ2 LYS 96 1HZ LYS 96 -9.091 -20.376 9.341 711 HZ3 LYS 96 2HZ LYS 96 -8.298 -21.244 10.556 712 H ILE 97 H ILE 97 -4.623 -19.916 3.173 713 HA ILE 97 HA ILE 97 -2.167 -20.399 4.600 714 HB ILE 97 HB ILE 97 -2.779 -18.748 2.150 715 HG12 ILE 97 2HG1 ILE 97 -1.320 -21.372 2.527 716 HG13 ILE 97 3HG1 ILE 97 -2.935 -21.180 1.854 717 HG21 ILE 97 1HG2 ILE 97 -0.311 -18.614 1.872 718 HG22 ILE 97 2HG2 ILE 97 -0.923 -17.707 3.254 719 HG23 ILE 97 3HG2 ILE 97 -0.136 -19.265 3.502 720 HD11 ILE 97 3HD1 ILE 97 -0.380 -20.134 0.658 721 HD12 ILE 97 1HD1 ILE 97 -1.299 -21.534 0.106 722 HD13 ILE 97 2HD1 ILE 97 -1.995 -19.917 -0.015 723 H GLY 98 H GLY 98 -0.885 -18.889 5.658 724 HA2 GLY 98 2HA GLY 98 -2.236 -16.343 6.316 725 HA3 GLY 98 3HA GLY 98 -1.353 -17.287 7.506 726 H VAL 99 H VAL 99 0.628 -16.605 7.939 727 HA VAL 99 HA VAL 99 2.051 -15.051 5.875 728 HB VAL 99 HB VAL 99 3.259 -14.422 8.292 729 HG11 VAL 99 1HG1 VAL 99 2.666 -12.252 7.776 730 HG12 VAL 99 2HG1 VAL 99 2.516 -13.048 6.208 731 HG13 VAL 99 3HG1 VAL 99 1.076 -12.717 7.173 732 HG21 VAL 99 3HG2 VAL 99 1.401 -13.673 9.726 733 HG22 VAL 99 1HG2 VAL 99 0.262 -14.469 8.640 734 HG23 VAL 99 2HG2 VAL 99 1.437 -15.426 9.542 735 H GLU 100 H GLU 100 2.672 -17.009 8.795 736 HA GLU 100 HA GLU 100 5.357 -17.557 8.256 737 HB2 GLU 100 2HB GLU 100 3.342 -18.462 10.121 738 HB3 GLU 100 3HB GLU 100 4.344 -19.806 9.593 739 HG2 GLU 100 2HG GLU 100 5.259 -17.252 10.888 740 HG3 GLU 100 3HG GLU 100 5.291 -18.875 11.576 741 H GLU 101 H GLU 101 2.467 -18.882 6.908 742 HA GLU 101 HA GLU 101 3.874 -21.166 5.759 743 HB2 GLU 101 2HB GLU 101 0.993 -20.407 5.305 744 HB3 GLU 101 3HB GLU 101 1.744 -21.981 5.083 745 HG2 GLU 101 2HG GLU 101 0.612 -22.273 7.055 746 HG3 GLU 101 3HG GLU 101 2.219 -21.828 7.628 747 H PHE 102 H PHE 102 2.767 -18.008 4.910 748 HA PHE 102 HA PHE 102 2.744 -18.405 2.077 749 HB2 PHE 102 2HB PHE 102 1.417 -16.622 3.059 750 HB3 PHE 102 3HB PHE 102 2.863 -15.877 3.733 751 HD1 PHE 102 HD2 PHE 102 4.412 -14.661 2.319 752 HD2 PHE 102 HD1 PHE 102 0.880 -16.419 0.721 753 HE1 PHE 102 HE2 PHE 102 4.671 -13.316 0.275 754 HE2 PHE 102 HE1 PHE 102 1.134 -15.077 -1.326 755 HZ PHE 102 HZ PHE 102 3.031 -13.522 -1.550 756 H GLN 103 H GLN 103 4.988 -16.742 4.290 757 HA GLN 103 HA GLN 103 6.934 -16.186 2.320 758 HB2 GLN 103 2HB GLN 103 8.404 -15.635 4.172 759 HB3 GLN 103 3HB GLN 103 6.795 -14.992 4.474 760 HG2 GLN 103 2HG GLN 103 6.329 -16.622 6.096 761 HG3 GLN 103 3HG GLN 103 7.696 -17.619 5.601 762 HE21 GLN 103 1HE2 GLN 103 8.482 -17.657 7.719 763 HE22 GLN 103 2HE2 GLN 103 9.271 -16.290 8.421 764 H SER 104 H SER 104 6.271 -18.983 4.275 765 HA SER 104 HA SER 104 8.790 -20.251 4.033 766 HB2 SER 104 2HB SER 104 7.230 -20.972 5.738 767 HB3 SER 104 3HB SER 104 6.032 -21.400 4.517 768 HG SER 104 HG SER 104 8.588 -22.602 4.810 769 H LEU 105 H LEU 105 6.364 -19.639 1.768 770 HA LEU 105 HA LEU 105 7.123 -21.901 0.070 771 HB2 LEU 105 2HB LEU 105 4.739 -21.466 0.362 772 HB3 LEU 105 3HB LEU 105 4.954 -19.832 -0.261 773 HG LEU 105 HG LEU 105 5.682 -22.166 -1.978 774 HD11 LEU 105 1HD1 LEU 105 3.608 -22.966 -1.897 775 HD12 LEU 105 2HD1 LEU 105 3.107 -21.489 -2.719 776 HD13 LEU 105 3HD1 LEU 105 3.029 -21.588 -0.960 777 HD21 LEU 105 3HD2 LEU 105 5.661 -19.387 -2.266 778 HD22 LEU 105 1HD2 LEU 105 4.283 -19.968 -3.202 779 HD23 LEU 105 2HD2 LEU 105 5.899 -20.594 -3.532 780 H VAL 106 H VAL 106 6.862 -18.356 -0.056 781 HA VAL 106 HA VAL 106 7.947 -17.988 -2.604 782 HB VAL 106 HB VAL 106 7.946 -16.197 -0.180 783 HG11 VAL 106 1HG1 VAL 106 9.849 -15.513 -1.443 784 HG12 VAL 106 2HG1 VAL 106 8.954 -15.621 -2.960 785 HG13 VAL 106 3HG1 VAL 106 8.551 -14.370 -1.783 786 HG21 VAL 106 3HG2 VAL 106 5.951 -16.914 -1.962 787 HG22 VAL 106 1HG2 VAL 106 5.937 -15.525 -0.875 788 HG23 VAL 106 2HG2 VAL 106 6.492 -15.337 -2.538 789 H LYS 107 H LYS 107 9.624 -17.500 0.510 790 HA LYS 107 HA LYS 107 12.192 -17.257 -0.556 791 HB2 LYS 107 2HB LYS 107 12.967 -17.309 1.629 792 HB3 LYS 107 3HB LYS 107 11.295 -16.810 1.849 793 HG2 LYS 107 2HG LYS 107 10.682 -19.116 2.395 794 HG3 LYS 107 3HG LYS 107 12.366 -19.604 2.192 795 HD2 LYS 107 2HD LYS 107 12.167 -19.314 4.493 796 HD3 LYS 107 3HD LYS 107 12.872 -17.788 3.954 797 HE2 LYS 107 2HE LYS 107 10.739 -16.699 4.057 798 HE3 LYS 107 3HE LYS 107 9.919 -18.227 4.372 799 HZ1 LYS 107 3HZ LYS 107 12.013 -17.533 6.251 800 HZ2 LYS 107 1HZ LYS 107 10.473 -18.176 6.531 801 HZ3 LYS 107 2HZ LYS 107 10.662 -16.515 6.277 802 H ALA 108 H ALA 108 10.221 -20.030 -0.140 803 HA ALA 108 HA ALA 108 12.491 -21.863 -0.342 804 HB1 ALA 108 1HB ALA 108 10.576 -22.246 1.267 805 HB2 ALA 108 2HB ALA 108 9.589 -22.624 -0.145 806 HB3 ALA 108 3HB ALA 108 11.006 -23.605 0.228 Start of MODEL 17 1 H1 ALA 1 H ALA 1 0.030 0.060 -1.319 2 HA ALA 1 HA ALA 1 -0.430 -1.231 -3.930 3 HB1 ALA 1 1HB ALA 1 0.781 0.314 -5.013 4 HB2 ALA 1 2HB ALA 1 0.460 1.321 -3.600 5 HB3 ALA 1 3HB ALA 1 1.976 0.428 -3.720 6 H ILE 2 H ILE 2 1.423 -2.449 -4.767 7 HA ILE 2 HA ILE 2 2.822 -3.815 -2.579 8 HB ILE 2 HB ILE 2 1.528 -5.302 -3.963 9 HG12 ILE 2 2HG1 ILE 2 3.246 -6.881 -4.620 10 HG13 ILE 2 3HG1 ILE 2 4.444 -5.595 -4.712 11 HG21 ILE 2 1HG2 ILE 2 1.178 -4.846 -6.105 12 HG22 ILE 2 2HG2 ILE 2 2.419 -3.595 -6.067 13 HG23 ILE 2 3HG2 ILE 2 2.857 -5.259 -6.450 14 HD11 ILE 2 3HD1 ILE 2 4.243 -5.250 -2.299 15 HD12 ILE 2 1HD1 ILE 2 3.068 -6.562 -2.218 16 HD13 ILE 2 2HD1 ILE 2 4.733 -6.897 -2.697 17 H THR 3 H THR 3 3.333 -1.825 -5.355 18 HA THR 3 HA THR 3 5.948 -2.418 -6.056 19 HB THR 3 HB THR 3 6.132 -0.107 -6.869 20 HG1 THR 3 HG1 THR 3 3.653 0.264 -5.507 21 HG21 THR 3 3HG2 THR 3 3.440 -0.398 -7.757 22 HG22 THR 3 1HG2 THR 3 4.152 -2.003 -7.601 23 HG23 THR 3 2HG2 THR 3 4.930 -0.788 -8.615 24 H ASP 4 H ASP 4 4.730 -0.868 -3.217 25 HA ASP 4 HA ASP 4 7.006 0.572 -2.422 26 HB2 ASP 4 2HB ASP 4 4.462 0.042 -1.370 27 HB3 ASP 4 3HB ASP 4 5.596 -0.560 -0.163 28 H ILE 5 H ILE 5 6.329 -2.804 -2.442 29 HA ILE 5 HA ILE 5 8.689 -3.330 -0.763 30 HB ILE 5 HB ILE 5 6.843 -5.530 -1.543 31 HG12 ILE 5 2HG1 ILE 5 5.302 -3.750 -0.872 32 HG13 ILE 5 3HG1 ILE 5 5.349 -5.019 0.346 33 HG21 ILE 5 1HG2 ILE 5 8.977 -5.090 0.297 34 HG22 ILE 5 2HG2 ILE 5 7.525 -5.527 1.196 35 HG23 ILE 5 3HG2 ILE 5 8.127 -6.589 -0.076 36 HD11 ILE 5 3HD1 ILE 5 5.617 -2.320 0.787 37 HD12 ILE 5 1HD1 ILE 5 6.037 -3.609 1.915 38 HD13 ILE 5 2HD1 ILE 5 7.275 -2.917 0.867 39 H LEU 6 H LEU 6 7.032 -4.541 -3.677 40 HA LEU 6 HA LEU 6 9.501 -5.784 -4.590 41 HB2 LEU 6 2HB LEU 6 6.643 -6.014 -5.216 42 HB3 LEU 6 3HB LEU 6 7.712 -6.144 -6.610 43 HG LEU 6 HG LEU 6 8.718 -8.096 -5.801 44 HD11 LEU 6 1HD1 LEU 6 8.274 -8.956 -3.498 45 HD12 LEU 6 2HD1 LEU 6 7.502 -7.413 -3.133 46 HD13 LEU 6 3HD1 LEU 6 9.213 -7.463 -3.556 47 HD21 LEU 6 3HD2 LEU 6 5.981 -8.579 -4.726 48 HD22 LEU 6 1HD2 LEU 6 6.970 -9.581 -5.788 49 HD23 LEU 6 2HD2 LEU 6 6.172 -8.143 -6.425 50 H SER 7 H SER 7 9.496 -5.573 -7.245 51 HA SER 7 HA SER 7 9.716 -2.675 -7.742 52 HB2 SER 7 2HB SER 7 11.582 -4.904 -8.234 53 HB3 SER 7 3HB SER 7 11.397 -3.786 -9.585 54 HG SER 7 HG SER 7 12.383 -2.280 -8.478 55 H ALA 8 H ALA 8 8.629 -1.856 -9.418 56 HA ALA 8 HA ALA 8 6.728 -3.388 -10.824 57 HB1 ALA 8 1HB ALA 8 7.194 -1.026 -12.281 58 HB2 ALA 8 2HB ALA 8 5.912 -1.346 -11.113 59 HB3 ALA 8 3HB ALA 8 7.432 -0.628 -10.579 60 H LYS 9 H LYS 9 10.054 -2.765 -11.405 61 HA LYS 9 HA LYS 9 9.878 -3.474 -14.229 62 HB2 LYS 9 2HB LYS 9 11.426 -1.660 -13.181 63 HB3 LYS 9 3HB LYS 9 12.446 -3.023 -12.742 64 HG2 LYS 9 2HG LYS 9 12.517 -3.677 -15.131 65 HG3 LYS 9 3HG LYS 9 11.612 -2.212 -15.518 66 HD2 LYS 9 2HD LYS 9 13.394 -0.832 -14.646 67 HD3 LYS 9 3HD LYS 9 14.278 -2.261 -14.106 68 HE2 LYS 9 2HE LYS 9 15.158 -1.323 -16.215 69 HE3 LYS 9 3HE LYS 9 14.590 -2.983 -16.386 70 HZ1 LYS 9 3HZ LYS 9 12.855 -0.682 -17.043 71 HZ2 LYS 9 1HZ LYS 9 12.699 -2.294 -17.533 72 HZ3 LYS 9 2HZ LYS 9 13.930 -1.330 -18.177 73 H ASP 10 H ASP 10 9.829 -5.154 -11.457 74 HA ASP 10 HA ASP 10 11.355 -7.399 -12.604 75 HB2 ASP 10 2HB ASP 10 10.908 -6.756 -9.681 76 HB3 ASP 10 3HB ASP 10 11.734 -8.186 -10.292 77 H ILE 11 H ILE 11 8.454 -6.361 -10.932 78 HA ILE 11 HA ILE 11 7.282 -8.870 -10.489 79 HB ILE 11 HB ILE 11 5.945 -6.213 -11.011 80 HG12 ILE 11 2HG1 ILE 11 6.127 -7.501 -8.325 81 HG13 ILE 11 3HG1 ILE 11 7.566 -6.717 -8.968 82 HG21 ILE 11 1HG2 ILE 11 4.868 -8.886 -10.235 83 HG22 ILE 11 2HG2 ILE 11 4.096 -7.423 -9.626 84 HG23 ILE 11 3HG2 ILE 11 4.219 -7.697 -11.364 85 HD11 ILE 11 3HD1 ILE 11 5.472 -5.526 -7.590 86 HD12 ILE 11 1HD1 ILE 11 6.785 -4.716 -8.444 87 HD13 ILE 11 2HD1 ILE 11 5.256 -5.028 -9.268 88 H GLU 12 H GLU 12 6.623 -6.555 -13.127 89 HA GLU 12 HA GLU 12 5.045 -8.373 -14.619 90 HB2 GLU 12 2HB GLU 12 6.521 -6.001 -15.751 91 HB3 GLU 12 3HB GLU 12 5.032 -6.728 -16.339 92 HG2 GLU 12 2HG GLU 12 3.893 -5.992 -14.285 93 HG3 GLU 12 3HG GLU 12 5.382 -5.202 -13.769 94 H SER 13 H SER 13 8.453 -7.802 -14.400 95 HA SER 13 HA SER 13 9.065 -9.201 -16.860 96 HB2 SER 13 2HB SER 13 10.412 -7.254 -15.838 97 HB3 SER 13 3HB SER 13 11.063 -8.461 -14.730 98 HG SER 13 HG SER 13 12.452 -8.498 -16.395 99 H ALA 14 H ALA 14 7.962 -10.245 -14.018 100 HA ALA 14 HA ALA 14 9.526 -12.741 -14.141 101 HB1 ALA 14 1HB ALA 14 9.351 -12.996 -11.768 102 HB2 ALA 14 2HB ALA 14 9.996 -11.388 -12.101 103 HB3 ALA 14 3HB ALA 14 8.304 -11.581 -11.643 104 H LEU 15 H LEU 15 6.399 -11.226 -13.621 105 HA LEU 15 HA LEU 15 4.875 -13.481 -13.020 106 HB2 LEU 15 2HB LEU 15 4.302 -10.832 -14.254 107 HB3 LEU 15 3HB LEU 15 3.055 -12.077 -14.311 108 HG LEU 15 HG LEU 15 4.333 -11.100 -11.761 109 HD11 LEU 15 1HD1 LEU 15 2.977 -9.343 -11.721 110 HD12 LEU 15 2HD1 LEU 15 1.581 -10.332 -12.148 111 HD13 LEU 15 3HD1 LEU 15 2.611 -9.667 -13.415 112 HD21 LEU 15 3HD2 LEU 15 3.051 -13.408 -12.122 113 HD22 LEU 15 1HD2 LEU 15 1.654 -12.358 -11.884 114 HD23 LEU 15 2HD2 LEU 15 2.902 -12.461 -10.641 115 H SER 16 H SER 16 5.200 -11.914 -16.212 116 HA SER 16 HA SER 16 3.996 -14.076 -17.604 117 HB2 SER 16 2HB SER 16 3.839 -12.371 -19.062 118 HB3 SER 16 3HB SER 16 5.128 -11.475 -18.259 119 HG SER 16 HG SER 16 5.335 -13.424 -20.293 120 H SER 17 H SER 17 7.237 -13.367 -16.598 121 HA SER 17 HA SER 17 8.749 -14.859 -18.374 122 HB2 SER 17 2HB SER 17 9.076 -14.100 -15.500 123 HB3 SER 17 3HB SER 17 10.194 -15.273 -16.197 124 HG SER 17 HG SER 17 11.099 -13.311 -16.567 125 H CYS 18 H CYS 18 6.782 -15.919 -15.673 126 HA CYS 18 HA CYS 18 7.404 -18.709 -16.386 127 HB2 CYS 18 2HB CYS 18 6.751 -19.249 -14.006 128 HB3 CYS 18 3HB CYS 18 8.248 -18.342 -14.186 129 HG CYS 18 HG CYS 18 6.493 -17.584 -11.948 130 H GLN 19 H GLN 19 5.427 -17.218 -17.706 131 HA GLN 19 HA GLN 19 2.916 -18.253 -16.585 132 HB2 GLN 19 2HB GLN 19 3.615 -15.922 -18.285 133 HB3 GLN 19 3HB GLN 19 2.071 -16.701 -18.603 134 HG2 GLN 19 2HG GLN 19 2.790 -15.973 -15.806 135 HG3 GLN 19 3HG GLN 19 2.241 -14.721 -16.918 136 HE21 GLN 19 1HE2 GLN 19 1.360 -17.468 -15.042 137 HE22 GLN 19 2HE2 GLN 19 -0.343 -17.385 -15.321 138 H ALA 20 H ALA 20 5.060 -18.423 -19.324 139 HA ALA 20 HA ALA 20 3.230 -19.879 -20.998 140 HB1 ALA 20 1HB ALA 20 5.438 -18.423 -21.526 141 HB2 ALA 20 2HB ALA 20 6.110 -20.053 -21.582 142 HB3 ALA 20 3HB ALA 20 4.759 -19.619 -22.630 143 H ALA 21 H ALA 21 3.960 -22.047 -21.911 144 HA ALA 21 HA ALA 21 4.195 -23.892 -19.727 145 HB1 ALA 21 1HB ALA 21 3.975 -25.624 -21.441 146 HB2 ALA 21 2HB ALA 21 2.737 -24.379 -21.615 147 HB3 ALA 21 3HB ALA 21 4.128 -24.397 -22.699 148 H ASP 22 H ASP 22 6.386 -22.362 -21.864 149 HA ASP 22 HA ASP 22 8.581 -23.921 -20.735 150 HB2 ASP 22 2HB ASP 22 8.033 -23.613 -23.684 151 HB3 ASP 22 3HB ASP 22 9.637 -23.990 -23.061 152 H SER 23 H SER 23 8.155 -21.553 -19.768 153 HA SER 23 HA SER 23 10.021 -19.757 -21.177 154 HB2 SER 23 2HB SER 23 7.687 -18.901 -21.153 155 HB3 SER 23 3HB SER 23 7.718 -18.936 -19.390 156 HG SER 23 HG SER 23 8.234 -16.865 -20.380 157 H PHE 24 H PHE 24 8.971 -21.108 -18.125 158 HA PHE 24 HA PHE 24 10.562 -19.615 -16.377 159 HB2 PHE 24 2HB PHE 24 8.731 -21.553 -16.028 160 HB3 PHE 24 3HB PHE 24 10.194 -22.499 -15.777 161 HD1 PHE 24 HD2 PHE 24 11.939 -20.549 -14.445 162 HD2 PHE 24 HD1 PHE 24 7.789 -21.341 -13.924 163 HE1 PHE 24 HE2 PHE 24 12.075 -19.724 -12.131 164 HE2 PHE 24 HE1 PHE 24 7.918 -20.515 -11.610 165 HZ PHE 24 HZ PHE 24 10.063 -19.707 -10.710 166 H ASN 25 H ASN 25 12.616 -19.274 -17.186 167 HA ASN 25 HA ASN 25 14.321 -21.654 -17.488 168 HB2 ASN 25 2HB ASN 25 14.020 -19.843 -19.364 169 HB3 ASN 25 3HB ASN 25 15.164 -18.924 -18.390 170 HD21 ASN 25 1HD2 ASN 25 16.988 -19.011 -19.517 171 HD22 ASN 25 2HD2 ASN 25 17.768 -20.459 -20.047 172 H TYR 26 H TYR 26 16.716 -21.089 -16.948 173 HA TYR 26 HA TYR 26 16.858 -20.612 -14.175 174 HB2 TYR 26 2HB TYR 26 19.353 -20.586 -14.583 175 HB3 TYR 26 3HB TYR 26 18.511 -22.020 -15.157 176 HD1 TYR 26 HD2 TYR 26 19.812 -18.728 -16.317 177 HD2 TYR 26 HD1 TYR 26 18.777 -22.720 -17.365 178 HE1 TYR 26 HE2 TYR 26 20.763 -18.380 -18.558 179 HE2 TYR 26 HE1 TYR 26 19.726 -22.384 -19.608 180 HH TYR 26 HH TYR 26 20.141 -20.255 -21.131 181 H LYS 27 H LYS 27 17.030 -18.512 -16.909 182 HA LYS 27 HA LYS 27 18.429 -16.364 -15.680 183 HB2 LYS 27 2HB LYS 27 16.793 -16.718 -18.147 184 HB3 LYS 27 3HB LYS 27 17.080 -15.079 -17.577 185 HG2 LYS 27 2HG LYS 27 19.421 -16.884 -17.791 186 HG3 LYS 27 3HG LYS 27 18.697 -16.290 -19.288 187 HD2 LYS 27 2HD LYS 27 20.205 -14.616 -18.883 188 HD3 LYS 27 3HD LYS 27 18.804 -13.979 -18.018 189 HE2 LYS 27 2HE LYS 27 19.701 -14.449 -15.951 190 HE3 LYS 27 3HE LYS 27 20.727 -15.742 -16.571 191 HZ1 LYS 27 3HZ LYS 27 22.108 -13.908 -16.013 192 HZ2 LYS 27 1HZ LYS 27 21.144 -12.821 -16.880 193 HZ3 LYS 27 2HZ LYS 27 22.051 -13.988 -17.702 194 H SER 28 H SER 28 14.971 -16.974 -16.256 195 HA SER 28 HA SER 28 13.950 -14.650 -15.133 196 HB2 SER 28 2HB SER 28 12.815 -17.443 -15.296 197 HB3 SER 28 3HB SER 28 11.893 -16.084 -14.654 198 HG SER 28 HG SER 28 11.882 -16.707 -17.076 199 H PHE 29 H PHE 29 15.297 -17.456 -13.606 200 HA PHE 29 HA PHE 29 14.208 -16.899 -11.003 201 HB2 PHE 29 2HB PHE 29 14.771 -19.197 -11.680 202 HB3 PHE 29 3HB PHE 29 16.465 -18.740 -11.821 203 HD1 PHE 29 HD1 PHE 29 17.721 -18.065 -9.769 204 HD2 PHE 29 HD2 PHE 29 13.831 -19.786 -9.608 205 HE1 PHE 29 HE1 PHE 29 18.069 -18.622 -7.398 206 HE2 PHE 29 HE2 PHE 29 14.173 -20.345 -7.236 207 HZ PHE 29 HZ PHE 29 16.293 -19.762 -6.128 208 H PHE 30 H PHE 30 17.075 -16.069 -12.786 209 HA PHE 30 HA PHE 30 18.591 -15.195 -10.518 210 HB2 PHE 30 2HB PHE 30 18.930 -14.726 -13.484 211 HB3 PHE 30 3HB PHE 30 20.068 -14.152 -12.269 212 HD1 PHE 30 HD2 PHE 30 20.113 -16.461 -10.424 213 HD2 PHE 30 HD1 PHE 30 20.145 -16.304 -14.677 214 HE1 PHE 30 HE2 PHE 30 21.278 -18.627 -10.491 215 HE2 PHE 30 HE1 PHE 30 21.309 -18.471 -14.752 216 HZ PHE 30 HZ PHE 30 21.878 -19.634 -12.657 217 H SER 31 H SER 31 16.462 -13.678 -12.867 218 HA SER 31 HA SER 31 16.701 -11.152 -11.366 219 HB2 SER 31 2HB SER 31 17.467 -11.241 -13.843 220 HB3 SER 31 3HB SER 31 15.744 -11.291 -14.214 221 HG SER 31 HG SER 31 15.496 -9.290 -13.423 222 H THR 32 H THR 32 14.966 -13.261 -10.613 223 HA THR 32 HA THR 32 12.356 -13.067 -11.571 224 HB THR 32 HB THR 32 12.632 -13.503 -8.659 225 HG1 THR 32 HG1 THR 32 13.932 -15.229 -8.816 226 HG21 THR 32 3HG2 THR 32 10.610 -14.294 -9.301 227 HG22 THR 32 1HG2 THR 32 11.536 -15.741 -9.700 228 HG23 THR 32 2HG2 THR 32 11.130 -14.577 -10.962 229 H VAL 33 H VAL 33 10.496 -12.300 -10.055 230 HA VAL 33 HA VAL 33 10.344 -9.562 -10.089 231 HB VAL 33 HB VAL 33 8.335 -10.798 -9.806 232 HG11 VAL 33 1HG1 VAL 33 7.827 -12.117 -7.818 233 HG12 VAL 33 2HG1 VAL 33 9.280 -12.719 -8.618 234 HG13 VAL 33 3HG1 VAL 33 9.418 -11.745 -7.154 235 HG21 VAL 33 3HG2 VAL 33 8.766 -8.536 -8.500 236 HG22 VAL 33 1HG2 VAL 33 7.244 -9.415 -8.353 237 HG23 VAL 33 2HG2 VAL 33 8.476 -9.571 -7.102 238 H GLY 34 H GLY 34 11.432 -11.633 -7.430 239 HA2 GLY 34 2HA GLY 34 13.343 -10.593 -6.165 240 HA3 GLY 34 3HA GLY 34 12.291 -9.194 -5.998 241 H LEU 35 H LEU 35 9.884 -10.734 -5.543 242 HA LEU 35 HA LEU 35 9.858 -10.859 -2.783 243 HB2 LEU 35 2HB LEU 35 7.990 -11.081 -4.715 244 HB3 LEU 35 3HB LEU 35 8.076 -12.755 -4.172 245 HG LEU 35 HG LEU 35 7.135 -10.330 -2.698 246 HD11 LEU 35 1HD1 LEU 35 5.283 -11.386 -3.461 247 HD12 LEU 35 2HD1 LEU 35 5.517 -12.329 -1.989 248 HD13 LEU 35 3HD1 LEU 35 6.074 -12.961 -3.538 249 HD21 LEU 35 3HD2 LEU 35 7.112 -12.008 -0.690 250 HD22 LEU 35 1HD2 LEU 35 8.552 -11.051 -1.038 251 HD23 LEU 35 2HD2 LEU 35 8.470 -12.737 -1.548 252 H SER 36 H SER 36 10.210 -13.554 -5.080 253 HA SER 36 HA SER 36 10.558 -15.524 -3.056 254 HB2 SER 36 2HB SER 36 11.344 -16.958 -4.963 255 HB3 SER 36 3HB SER 36 9.767 -16.213 -5.226 256 HG SER 36 HG SER 36 12.114 -15.870 -6.588 257 H SER 37 H SER 37 12.560 -13.084 -4.161 258 HA SER 37 HA SER 37 14.944 -14.497 -3.159 259 HB2 SER 37 2HB SER 37 14.763 -13.826 -5.710 260 HB3 SER 37 3HB SER 37 15.225 -12.238 -5.099 261 HG SER 37 HG SER 37 17.099 -13.135 -4.265 262 H LYS 38 H LYS 38 12.993 -12.843 -1.729 263 HA LYS 38 HA LYS 38 14.616 -10.493 -1.044 264 HB2 LYS 38 2HB LYS 38 11.713 -11.155 -0.801 265 HB3 LYS 38 3HB LYS 38 12.415 -10.020 0.345 266 HG2 LYS 38 2HG LYS 38 13.172 -9.403 -2.379 267 HG3 LYS 38 3HG LYS 38 11.420 -9.436 -2.168 268 HD2 LYS 38 2HD LYS 38 11.539 -7.827 -0.397 269 HD3 LYS 38 3HD LYS 38 13.303 -7.911 -0.372 270 HE2 LYS 38 2HE LYS 38 13.343 -7.015 -2.673 271 HE3 LYS 38 3HE LYS 38 11.587 -6.868 -2.624 272 HZ1 LYS 38 3HZ LYS 38 12.491 -5.587 -0.366 273 HZ2 LYS 38 1HZ LYS 38 11.900 -4.859 -1.775 274 HZ3 LYS 38 2HZ LYS 38 13.562 -5.111 -1.585 275 H THR 39 H THR 39 14.189 -9.906 1.430 276 HA THR 39 HA THR 39 15.330 -12.129 2.914 277 HB THR 39 HB THR 39 15.681 -9.351 3.009 278 HG1 THR 39 HG1 THR 39 17.317 -9.937 4.378 279 HG21 THR 39 3HG2 THR 39 15.164 -8.723 5.276 280 HG22 THR 39 1HG2 THR 39 14.535 -10.333 5.624 281 HG23 THR 39 2HG2 THR 39 13.684 -9.278 4.496 282 HA PRO 40 HA PRO 40 11.727 -13.291 5.137 283 HB2 PRO 40 2HB PRO 40 12.767 -13.914 7.567 284 HB3 PRO 40 3HB PRO 40 13.005 -14.920 6.133 285 HG2 PRO 40 2HG PRO 40 14.849 -12.907 7.362 286 HG3 PRO 40 3HG PRO 40 15.220 -14.517 6.718 287 HD2 PRO 40 2HD PRO 40 15.686 -12.246 5.319 288 HD3 PRO 40 3HD PRO 40 15.245 -13.777 4.535 289 H ASP 41 H ASP 41 11.079 -10.920 5.005 290 HA ASP 41 HA ASP 41 10.093 -10.076 7.492 291 HB2 ASP 41 2HB ASP 41 12.715 -9.404 7.334 292 HB3 ASP 41 3HB ASP 41 11.978 -7.976 6.612 293 H GLN 42 H GLN 42 11.156 -8.971 4.298 294 HA GLN 42 HA GLN 42 9.036 -7.024 4.113 295 HB2 GLN 42 2HB GLN 42 10.755 -7.989 1.837 296 HB3 GLN 42 3HB GLN 42 9.954 -6.433 2.013 297 HG2 GLN 42 2HG GLN 42 12.330 -7.434 3.562 298 HG3 GLN 42 3HG GLN 42 12.305 -6.150 2.354 299 HE21 GLN 42 1HE2 GLN 42 11.293 -4.173 2.870 300 HE22 GLN 42 2HE2 GLN 42 11.065 -3.689 4.513 301 H ILE 43 H ILE 43 9.476 -10.344 3.340 302 HA ILE 43 HA ILE 43 7.680 -10.668 1.223 303 HB ILE 43 HB ILE 43 8.352 -12.592 3.452 304 HG12 ILE 43 2HG1 ILE 43 9.409 -12.372 0.625 305 HG13 ILE 43 3HG1 ILE 43 10.270 -11.861 2.073 306 HG21 ILE 43 1HG2 ILE 43 7.619 -13.975 1.118 307 HG22 ILE 43 2HG2 ILE 43 6.762 -13.919 2.657 308 HG23 ILE 43 3HG2 ILE 43 6.373 -12.757 1.390 309 HD11 ILE 43 3HD1 ILE 43 10.741 -14.181 0.966 310 HD12 ILE 43 1HD1 ILE 43 10.726 -14.003 2.720 311 HD13 ILE 43 2HD1 ILE 43 9.321 -14.671 1.889 312 H LYS 44 H LYS 44 7.106 -11.048 4.721 313 HA LYS 44 HA LYS 44 4.411 -11.645 4.655 314 HB2 LYS 44 2HB LYS 44 4.345 -10.505 6.935 315 HB3 LYS 44 3HB LYS 44 5.501 -11.815 6.739 316 HG2 LYS 44 2HG LYS 44 7.301 -10.220 6.444 317 HG3 LYS 44 3HG LYS 44 6.157 -8.881 6.551 318 HD2 LYS 44 2HD LYS 44 5.859 -10.625 8.817 319 HD3 LYS 44 3HD LYS 44 7.544 -10.127 8.650 320 HE2 LYS 44 2HE LYS 44 6.427 -7.760 8.269 321 HE3 LYS 44 3HE LYS 44 5.116 -8.495 9.191 322 HZ1 LYS 44 3HZ LYS 44 7.415 -9.126 10.560 323 HZ2 LYS 44 1HZ LYS 44 6.260 -7.971 11.000 324 HZ3 LYS 44 2HZ LYS 44 7.619 -7.509 10.106 325 H LYS 45 H LYS 45 5.957 -8.455 4.672 326 HA LYS 45 HA LYS 45 3.664 -6.881 4.839 327 HB2 LYS 45 2HB LYS 45 6.405 -6.457 3.719 328 HB3 LYS 45 3HB LYS 45 5.166 -5.245 3.423 329 HG2 LYS 45 2HG LYS 45 4.929 -4.775 5.714 330 HG3 LYS 45 3HG LYS 45 5.818 -6.225 6.184 331 HD2 LYS 45 2HD LYS 45 7.266 -4.348 6.488 332 HD3 LYS 45 3HD LYS 45 7.838 -5.247 5.080 333 HE2 LYS 45 2HE LYS 45 7.263 -3.596 3.623 334 HE3 LYS 45 3HE LYS 45 5.892 -3.065 4.596 335 HZ1 LYS 45 3HZ LYS 45 7.176 -1.676 5.817 336 HZ2 LYS 45 1HZ LYS 45 8.100 -1.659 4.400 337 HZ3 LYS 45 2HZ LYS 45 8.561 -2.639 5.698 338 H VAL 46 H VAL 46 4.939 -8.718 2.199 339 HA VAL 46 HA VAL 46 3.328 -7.358 0.205 340 HB VAL 46 HB VAL 46 5.090 -9.803 0.009 341 HG11 VAL 46 1HG1 VAL 46 3.240 -8.528 -1.930 342 HG12 VAL 46 2HG1 VAL 46 4.800 -9.093 -2.533 343 HG13 VAL 46 3HG1 VAL 46 3.696 -10.221 -1.743 344 HG21 VAL 46 3HG2 VAL 46 6.426 -7.870 0.342 345 HG22 VAL 46 1HG2 VAL 46 6.481 -8.226 -1.385 346 HG23 VAL 46 2HG2 VAL 46 5.457 -6.921 -0.785 347 H PHE 47 H PHE 47 3.066 -10.049 2.329 348 HA PHE 47 HA PHE 47 1.039 -11.425 0.814 349 HB2 PHE 47 2HB PHE 47 1.969 -13.026 2.111 350 HB3 PHE 47 3HB PHE 47 2.517 -11.865 3.316 351 HD1 PHE 47 HD2 PHE 47 -0.468 -13.718 2.137 352 HD2 PHE 47 HD1 PHE 47 1.392 -11.630 5.345 353 HE1 PHE 47 HE2 PHE 47 -2.264 -14.451 3.650 354 HE2 PHE 47 HE1 PHE 47 -0.400 -12.360 6.864 355 HZ PHE 47 HZ PHE 47 -2.232 -13.771 6.017 356 H GLY 48 H GLY 48 1.152 -8.902 3.169 357 HA2 GLY 48 2HA GLY 48 -1.505 -9.172 4.161 358 HA3 GLY 48 3HA GLY 48 -0.487 -7.747 4.299 359 H ILE 49 H ILE 49 -0.317 -8.136 1.172 360 HA ILE 49 HA ILE 49 -2.498 -6.286 0.652 361 HB ILE 49 HB ILE 49 -0.517 -7.279 -1.382 362 HG12 ILE 49 2HG1 ILE 49 -0.168 -4.980 0.555 363 HG13 ILE 49 3HG1 ILE 49 0.742 -6.487 0.573 364 HG21 ILE 49 1HG2 ILE 49 -2.104 -4.729 -1.115 365 HG22 ILE 49 2HG2 ILE 49 -0.937 -5.072 -2.392 366 HG23 ILE 49 3HG2 ILE 49 -2.404 -6.040 -2.256 367 HD11 ILE 49 3HD1 ILE 49 1.023 -5.452 -2.011 368 HD12 ILE 49 1HD1 ILE 49 1.224 -4.089 -0.909 369 HD13 ILE 49 2HD1 ILE 49 2.238 -5.523 -0.734 370 H LEU 50 H LEU 50 -1.932 -9.609 0.436 371 HA LEU 50 HA LEU 50 -3.638 -10.103 -1.839 372 HB2 LEU 50 2HB LEU 50 -2.938 -12.244 0.099 373 HB3 LEU 50 3HB LEU 50 -3.039 -12.305 -1.659 374 HG LEU 50 HG LEU 50 -0.797 -11.068 -0.062 375 HD11 LEU 50 1HD1 LEU 50 -1.010 -13.657 -1.583 376 HD12 LEU 50 2HD1 LEU 50 -0.696 -13.442 0.139 377 HD13 LEU 50 3HD1 LEU 50 0.514 -12.950 -1.046 378 HD21 LEU 50 3HD2 LEU 50 0.013 -11.490 -2.682 379 HD22 LEU 50 1HD2 LEU 50 -0.362 -9.940 -1.929 380 HD23 LEU 50 2HD2 LEU 50 -1.607 -10.808 -2.828 381 H ASP 51 H ASP 51 -3.835 -10.661 1.670 382 HA ASP 51 HA ASP 51 -6.392 -11.749 1.760 383 HB2 ASP 51 2HB ASP 51 -5.575 -9.895 3.945 384 HB3 ASP 51 3HB ASP 51 -6.262 -11.514 4.042 385 H GLN 52 H GLN 52 -8.098 -10.352 3.235 386 HA GLN 52 HA GLN 52 -8.462 -7.659 2.339 387 HB2 GLN 52 2HB GLN 52 -10.829 -8.514 1.366 388 HB3 GLN 52 3HB GLN 52 -9.408 -8.242 0.367 389 HG2 GLN 52 2HG GLN 52 -9.000 -10.475 0.088 390 HG3 GLN 52 3HG GLN 52 -9.799 -10.921 1.595 391 HE21 GLN 52 1HE2 GLN 52 -10.081 -10.721 -1.744 392 HE22 GLN 52 2HE2 GLN 52 -11.775 -11.034 -1.877 393 H ASP 53 H ASP 53 -10.519 -10.414 3.296 394 HA ASP 53 HA ASP 53 -11.357 -8.843 5.643 395 HB2 ASP 53 2HB ASP 53 -13.089 -9.063 3.768 396 HB3 ASP 53 3HB ASP 53 -13.175 -10.768 4.202 397 H LYS 54 H LYS 54 -9.963 -11.660 4.480 398 HA LYS 54 HA LYS 54 -10.863 -13.601 6.298 399 HB2 LYS 54 2HB LYS 54 -8.048 -13.511 5.243 400 HB3 LYS 54 3HB LYS 54 -9.042 -14.918 5.594 401 HG2 LYS 54 2HG LYS 54 -9.257 -13.024 3.276 402 HG3 LYS 54 3HG LYS 54 -8.935 -14.759 3.251 403 HD2 LYS 54 2HD LYS 54 -11.518 -13.411 4.038 404 HD3 LYS 54 3HD LYS 54 -11.219 -14.346 2.571 405 HE2 LYS 54 2HE LYS 54 -11.118 -15.407 5.393 406 HE3 LYS 54 3HE LYS 54 -12.437 -15.651 4.249 407 HZ1 LYS 54 3HZ LYS 54 -9.863 -16.959 4.403 408 HZ2 LYS 54 1HZ LYS 54 -10.332 -16.515 2.839 409 HZ3 LYS 54 2HZ LYS 54 -11.327 -17.519 3.767 410 H SER 55 H SER 55 -8.930 -10.841 6.771 411 HA SER 55 HA SER 55 -8.038 -9.950 8.676 412 HB2 SER 55 2HB SER 55 -9.947 -11.447 9.730 413 HB3 SER 55 3HB SER 55 -8.580 -12.420 10.274 414 HG SER 55 HG SER 55 -8.863 -10.954 11.860 415 H GLY 56 H GLY 56 -6.872 -12.308 6.906 416 HA2 GLY 56 2HA GLY 56 -4.304 -12.187 7.059 417 HA3 GLY 56 3HA GLY 56 -4.568 -12.912 8.638 418 H PHE 57 H PHE 57 -5.999 -14.951 8.537 419 HA PHE 57 HA PHE 57 -4.649 -16.847 6.919 420 HB2 PHE 57 2HB PHE 57 -7.264 -17.333 8.339 421 HB3 PHE 57 3HB PHE 57 -5.989 -18.493 7.982 422 HD1 PHE 57 HD1 PHE 57 -3.587 -17.525 8.967 423 HD2 PHE 57 HD2 PHE 57 -7.478 -16.883 10.567 424 HE1 PHE 57 HE1 PHE 57 -2.605 -17.132 11.188 425 HE2 PHE 57 HE2 PHE 57 -6.502 -16.488 12.791 426 HZ PHE 57 HZ PHE 57 -4.063 -16.611 13.104 427 H ILE 58 H ILE 58 -4.910 -16.622 4.758 428 HA ILE 58 HA ILE 58 -7.512 -16.136 3.599 429 HB ILE 58 HB ILE 58 -4.794 -16.593 2.381 430 HG12 ILE 58 2HG1 ILE 58 -6.589 -14.169 2.241 431 HG13 ILE 58 3HG1 ILE 58 -5.387 -14.393 3.507 432 HG21 ILE 58 1HG2 ILE 58 -6.053 -17.478 0.691 433 HG22 ILE 58 2HG2 ILE 58 -7.483 -16.538 1.114 434 HG23 ILE 58 3HG2 ILE 58 -6.139 -15.767 0.270 435 HD11 ILE 58 3HD1 ILE 58 -3.655 -14.558 1.724 436 HD12 ILE 58 1HD1 ILE 58 -4.900 -14.115 0.556 437 HD13 ILE 58 2HD1 ILE 58 -4.451 -12.988 1.837 438 H GLU 59 H GLU 59 -8.792 -17.569 2.532 439 HA GLU 59 HA GLU 59 -8.002 -20.398 2.705 440 HB2 GLU 59 2HB GLU 59 -10.756 -19.159 2.567 441 HB3 GLU 59 3HB GLU 59 -10.431 -20.886 2.608 442 HG2 GLU 59 2HG GLU 59 -9.065 -19.748 4.791 443 HG3 GLU 59 3HG GLU 59 -10.683 -19.049 4.771 444 H GLU 60 H GLU 60 -9.108 -21.796 0.991 445 HA GLU 60 HA GLU 60 -8.103 -21.227 -1.506 446 HB2 GLU 60 2HB GLU 60 -9.040 -23.436 -0.586 447 HB3 GLU 60 3HB GLU 60 -10.606 -22.858 -1.138 448 HG2 GLU 60 2HG GLU 60 -8.435 -22.745 -3.120 449 HG3 GLU 60 3HG GLU 60 -8.941 -24.358 -2.622 450 H GLU 61 H GLU 61 -11.057 -20.131 -0.061 451 HA GLU 61 HA GLU 61 -12.448 -19.413 -2.413 452 HB2 GLU 61 2HB GLU 61 -12.620 -18.335 0.404 453 HB3 GLU 61 3HB GLU 61 -13.730 -17.888 -0.883 454 HG2 GLU 61 2HG GLU 61 -13.307 -20.743 -0.071 455 HG3 GLU 61 3HG GLU 61 -14.475 -19.698 0.736 456 H GLU 62 H GLU 62 -10.411 -17.501 -0.206 457 HA GLU 62 HA GLU 62 -10.465 -15.247 -2.039 458 HB2 GLU 62 2HB GLU 62 -9.975 -15.617 0.765 459 HB3 GLU 62 3HB GLU 62 -8.604 -14.790 0.040 460 HG2 GLU 62 2HG GLU 62 -10.128 -13.145 0.825 461 HG3 GLU 62 3HG GLU 62 -10.188 -13.145 -0.937 462 H LEU 63 H LEU 63 -8.738 -18.050 -1.804 463 HA LEU 63 HA LEU 63 -6.112 -17.055 -2.394 464 HB2 LEU 63 2HB LEU 63 -6.893 -19.336 -1.353 465 HB3 LEU 63 3HB LEU 63 -6.964 -19.838 -3.041 466 HG LEU 63 HG LEU 63 -4.574 -19.269 -3.281 467 HD11 LEU 63 1HD1 LEU 63 -5.020 -18.020 -0.745 468 HD12 LEU 63 2HD1 LEU 63 -3.607 -17.939 -1.796 469 HD13 LEU 63 3HD1 LEU 63 -3.742 -19.227 -0.598 470 HD21 LEU 63 3HD2 LEU 63 -4.028 -21.348 -2.671 471 HD22 LEU 63 1HD2 LEU 63 -5.700 -21.491 -2.131 472 HD23 LEU 63 2HD2 LEU 63 -4.437 -21.057 -0.980 473 H GLN 64 H GLN 64 -8.924 -17.936 -4.221 474 HA GLN 64 HA GLN 64 -7.656 -18.360 -6.722 475 HB2 GLN 64 2HB GLN 64 -9.823 -18.361 -7.663 476 HB3 GLN 64 3HB GLN 64 -10.010 -19.047 -6.054 477 HG2 GLN 64 2HG GLN 64 -10.838 -16.918 -5.224 478 HG3 GLN 64 3HG GLN 64 -10.615 -16.200 -6.818 479 HE21 GLN 64 1HE2 GLN 64 -12.947 -17.028 -4.904 480 HE22 GLN 64 2HE2 GLN 64 -14.100 -17.700 -6.000 481 H LEU 65 H LEU 65 -7.862 -15.620 -4.889 482 HA LEU 65 HA LEU 65 -7.936 -13.826 -7.214 483 HB2 LEU 65 2HB LEU 65 -7.922 -12.904 -4.369 484 HB3 LEU 65 3HB LEU 65 -8.547 -12.085 -5.799 485 HG LEU 65 HG LEU 65 -9.822 -14.544 -4.615 486 HD11 LEU 65 1HD1 LEU 65 -11.481 -12.982 -3.651 487 HD12 LEU 65 2HD1 LEU 65 -10.431 -11.638 -4.098 488 HD13 LEU 65 3HD1 LEU 65 -9.881 -12.835 -2.924 489 HD21 LEU 65 3HD2 LEU 65 -11.370 -12.570 -6.147 490 HD22 LEU 65 1HD2 LEU 65 -11.408 -14.333 -6.195 491 HD23 LEU 65 2HD2 LEU 65 -10.154 -13.454 -7.071 492 H PHE 66 H PHE 66 -5.669 -15.562 -6.137 493 HA PHE 66 HA PHE 66 -3.683 -13.874 -5.062 494 HB2 PHE 66 2HB PHE 66 -3.456 -16.267 -4.873 495 HB3 PHE 66 3HB PHE 66 -3.464 -16.452 -6.624 496 HD1 PHE 66 HD1 PHE 66 -1.520 -15.096 -3.785 497 HD2 PHE 66 HD2 PHE 66 -1.482 -16.302 -7.867 498 HE1 PHE 66 HE1 PHE 66 0.935 -14.928 -3.808 499 HE2 PHE 66 HE2 PHE 66 0.973 -16.137 -7.896 500 HZ PHE 66 HZ PHE 66 2.184 -15.450 -5.865 501 H LEU 67 H LEU 67 -4.700 -14.557 -8.338 502 HA LEU 67 HA LEU 67 -2.439 -13.240 -9.545 503 HB2 LEU 67 2HB LEU 67 -4.976 -14.456 -10.557 504 HB3 LEU 67 3HB LEU 67 -4.007 -13.429 -11.611 505 HG LEU 67 HG LEU 67 -3.018 -15.947 -10.274 506 HD11 LEU 67 1HD1 LEU 67 -4.784 -15.773 -12.381 507 HD12 LEU 67 2HD1 LEU 67 -3.746 -17.147 -12.003 508 HD13 LEU 67 3HD1 LEU 67 -3.217 -15.938 -13.173 509 HD21 LEU 67 3HD2 LEU 67 -1.297 -15.556 -12.235 510 HD22 LEU 67 1HD2 LEU 67 -1.091 -14.784 -10.663 511 HD23 LEU 67 2HD2 LEU 67 -1.777 -13.874 -12.008 512 H LYS 68 H LYS 68 -5.107 -12.140 -7.944 513 HA LYS 68 HA LYS 68 -5.596 -9.822 -9.630 514 HB2 LYS 68 2HB LYS 68 -6.751 -10.554 -6.933 515 HB3 LYS 68 3HB LYS 68 -7.291 -9.229 -7.955 516 HG2 LYS 68 2HG LYS 68 -7.312 -12.052 -8.949 517 HG3 LYS 68 3HG LYS 68 -8.632 -11.414 -7.967 518 HD2 LYS 68 2HD LYS 68 -7.940 -9.573 -10.076 519 HD3 LYS 68 3HD LYS 68 -8.306 -11.171 -10.733 520 HE2 LYS 68 2HE LYS 68 -10.442 -10.500 -10.619 521 HE3 LYS 68 3HE LYS 68 -10.296 -10.861 -8.900 522 HZ1 LYS 68 3HZ LYS 68 -9.521 -8.201 -9.878 523 HZ2 LYS 68 1HZ LYS 68 -10.111 -8.656 -8.359 524 HZ3 LYS 68 2HZ LYS 68 -11.163 -8.558 -9.680 525 H ASN 69 H ASN 69 -3.609 -10.715 -7.001 526 HA ASN 69 HA ASN 69 -3.254 -8.000 -6.034 527 HB2 ASN 69 2HB ASN 69 -1.535 -10.318 -5.210 528 HB3 ASN 69 3HB ASN 69 -2.028 -8.913 -4.270 529 HD21 ASN 69 1HD2 ASN 69 -4.680 -8.844 -4.487 530 HD22 ASN 69 2HD2 ASN 69 -5.396 -10.282 -3.849 531 H PHE 70 H PHE 70 -1.869 -10.101 -8.348 532 HA PHE 70 HA PHE 70 0.563 -8.458 -8.506 533 HB2 PHE 70 2HB PHE 70 -0.068 -11.234 -9.497 534 HB3 PHE 70 3HB PHE 70 1.348 -10.343 -10.046 535 HD1 PHE 70 HD2 PHE 70 -0.254 -11.968 -7.172 536 HD2 PHE 70 HD1 PHE 70 3.242 -10.023 -8.624 537 HE1 PHE 70 HE2 PHE 70 0.994 -12.746 -5.200 538 HE2 PHE 70 HE1 PHE 70 4.496 -10.798 -6.655 539 HZ PHE 70 HZ PHE 70 3.372 -12.161 -4.939 540 H SER 71 H SER 71 -1.886 -9.983 -10.591 541 HA SER 71 HA SER 71 -1.338 -7.907 -12.608 542 HB2 SER 71 2HB SER 71 -0.982 -10.372 -13.210 543 HB3 SER 71 3HB SER 71 -2.738 -10.525 -13.147 544 HG SER 71 HG SER 71 -1.126 -9.177 -14.979 545 H SER 72 H SER 72 -3.261 -7.312 -13.955 546 HA SER 72 HA SER 72 -5.698 -7.228 -12.298 547 HB2 SER 72 2HB SER 72 -6.138 -4.986 -13.145 548 HB3 SER 72 3HB SER 72 -4.539 -5.036 -12.404 549 HG SER 72 HG SER 72 -5.249 -4.837 -15.109 550 H SER 73 H SER 73 -4.780 -9.009 -14.559 551 HA SER 73 HA SER 73 -7.078 -8.539 -16.344 552 HB2 SER 73 2HB SER 73 -4.768 -8.248 -17.380 553 HB3 SER 73 3HB SER 73 -4.551 -9.983 -17.150 554 HG SER 73 HG SER 73 -5.358 -9.598 -19.211 555 H ALA 74 H ALA 74 -5.099 -10.902 -14.653 556 HA ALA 74 HA ALA 74 -6.556 -13.193 -15.496 557 HB1 ALA 74 1HB ALA 74 -4.469 -13.768 -14.745 558 HB2 ALA 74 2HB ALA 74 -4.521 -12.634 -13.394 559 HB3 ALA 74 3HB ALA 74 -5.439 -14.139 -13.319 560 H ARG 75 H ARG 75 -8.676 -13.340 -15.090 561 HA ARG 75 HA ARG 75 -10.180 -12.108 -13.177 562 HB2 ARG 75 2HB ARG 75 -11.577 -14.375 -13.342 563 HB3 ARG 75 3HB ARG 75 -11.530 -13.202 -14.652 564 HG2 ARG 75 2HG ARG 75 -10.380 -14.571 -16.015 565 HG3 ARG 75 3HG ARG 75 -9.408 -15.237 -14.701 566 HD2 ARG 75 2HD ARG 75 -10.819 -16.953 -14.364 567 HD3 ARG 75 3HD ARG 75 -12.249 -15.947 -14.592 568 HE ARG 75 HE ARG 75 -10.950 -17.572 -16.561 569 HH11 ARG 75 1HH1 ARG 75 -12.902 -14.732 -16.064 570 HH12 ARG 75 2HH1 ARG 75 -13.595 -14.772 -17.651 571 HH21 ARG 75 1HH2 ARG 75 -11.855 -17.634 -18.653 572 HH22 ARG 75 2HH2 ARG 75 -13.000 -16.423 -19.123 573 H VAL 76 H VAL 76 -9.396 -15.565 -12.848 574 HA VAL 76 HA VAL 76 -8.478 -15.195 -10.132 575 HB VAL 76 HB VAL 76 -10.168 -16.963 -9.319 576 HG11 VAL 76 1HG1 VAL 76 -10.041 -14.457 -8.780 577 HG12 VAL 76 2HG1 VAL 76 -11.397 -14.289 -9.897 578 HG13 VAL 76 3HG1 VAL 76 -11.558 -15.297 -8.458 579 HG21 VAL 76 3HG2 VAL 76 -11.708 -15.862 -11.669 580 HG22 VAL 76 1HG2 VAL 76 -11.061 -17.498 -11.548 581 HG23 VAL 76 2HG2 VAL 76 -12.323 -16.965 -10.438 582 H LEU 77 H LEU 77 -7.680 -17.198 -9.174 583 HA LEU 77 HA LEU 77 -6.043 -18.661 -10.837 584 HB2 LEU 77 2HB LEU 77 -7.228 -19.553 -8.213 585 HB3 LEU 77 3HB LEU 77 -5.813 -20.256 -8.992 586 HG LEU 77 HG LEU 77 -6.086 -17.606 -7.617 587 HD11 LEU 77 1HD1 LEU 77 -3.856 -18.484 -6.687 588 HD12 LEU 77 2HD1 LEU 77 -4.359 -20.038 -7.351 589 HD13 LEU 77 3HD1 LEU 77 -5.351 -19.237 -6.133 590 HD21 LEU 77 3HD2 LEU 77 -3.942 -18.418 -9.577 591 HD22 LEU 77 1HD2 LEU 77 -3.844 -17.037 -8.484 592 HD23 LEU 77 2HD2 LEU 77 -5.077 -17.077 -9.745 593 H THR 78 H THR 78 -6.090 -21.031 -11.254 594 HA THR 78 HA THR 78 -8.809 -21.890 -12.002 595 HB THR 78 HB THR 78 -8.067 -22.754 -13.994 596 HG1 THR 78 HG1 THR 78 -6.490 -24.154 -13.481 597 HG21 THR 78 3HG2 THR 78 -5.848 -20.755 -13.680 598 HG22 THR 78 1HG2 THR 78 -7.535 -20.247 -13.761 599 HG23 THR 78 2HG2 THR 78 -6.812 -21.123 -15.111 600 H SER 79 H SER 79 -8.358 -24.482 -12.672 601 HA SER 79 HA SER 79 -8.120 -25.716 -10.090 602 HB2 SER 79 2HB SER 79 -8.744 -27.776 -11.235 603 HB3 SER 79 3HB SER 79 -9.789 -26.460 -11.769 604 HG SER 79 HG SER 79 -8.843 -26.465 -13.703 605 H ALA 80 H ALA 80 -5.736 -24.633 -10.393 606 HA ALA 80 HA ALA 80 -3.950 -26.807 -10.221 607 HB1 ALA 80 1HB ALA 80 -2.811 -25.341 -12.405 608 HB2 ALA 80 2HB ALA 80 -3.157 -27.066 -12.277 609 HB3 ALA 80 3HB ALA 80 -4.400 -25.958 -12.858 610 H GLU 81 H GLU 81 -4.354 -23.355 -10.813 611 HA GLU 81 HA GLU 81 -1.800 -22.625 -9.752 612 HB2 GLU 81 2HB GLU 81 -4.181 -20.796 -9.975 613 HB3 GLU 81 3HB GLU 81 -2.476 -20.378 -10.057 614 HG2 GLU 81 2HG GLU 81 -2.551 -21.975 -12.158 615 HG3 GLU 81 3HG GLU 81 -4.254 -21.520 -12.136 616 H THR 82 H THR 82 -5.124 -22.538 -8.509 617 HA THR 82 HA THR 82 -4.443 -21.461 -5.977 618 HB THR 82 HB THR 82 -6.828 -23.182 -6.050 619 HG1 THR 82 HG1 THR 82 -7.916 -21.714 -7.492 620 HG21 THR 82 3HG2 THR 82 -7.064 -20.274 -5.692 621 HG22 THR 82 1HG2 THR 82 -5.976 -21.073 -4.558 622 HG23 THR 82 2HG2 THR 82 -7.657 -21.592 -4.682 623 H LYS 83 H LYS 83 -4.773 -24.746 -7.206 624 HA LYS 83 HA LYS 83 -4.539 -26.023 -4.671 625 HB2 LYS 83 2HB LYS 83 -3.974 -27.150 -7.419 626 HB3 LYS 83 3HB LYS 83 -4.246 -28.079 -5.951 627 HG2 LYS 83 2HG LYS 83 -6.527 -26.862 -5.888 628 HG3 LYS 83 3HG LYS 83 -6.200 -26.521 -7.589 629 HD2 LYS 83 2HD LYS 83 -6.023 -28.873 -8.077 630 HD3 LYS 83 3HD LYS 83 -6.163 -29.279 -6.365 631 HE2 LYS 83 2HE LYS 83 -8.428 -28.387 -6.325 632 HE3 LYS 83 3HE LYS 83 -8.289 -27.919 -8.019 633 HZ1 LYS 83 3HZ LYS 83 -8.177 -30.699 -6.977 634 HZ2 LYS 83 1HZ LYS 83 -8.038 -30.252 -8.603 635 HZ3 LYS 83 2HZ LYS 83 -9.491 -29.996 -7.777 636 H ALA 84 H ALA 84 -2.250 -25.403 -7.316 637 HA ALA 84 HA ALA 84 -0.027 -26.611 -6.038 638 HB1 ALA 84 1HB ALA 84 0.183 -24.432 -8.092 639 HB2 ALA 84 2HB ALA 84 1.268 -25.795 -7.809 640 HB3 ALA 84 3HB ALA 84 -0.324 -26.068 -8.517 641 H PHE 85 H PHE 85 -1.688 -23.786 -5.350 642 HA PHE 85 HA PHE 85 0.667 -22.482 -4.178 643 HB2 PHE 85 2HB PHE 85 -0.818 -21.146 -5.688 644 HB3 PHE 85 3HB PHE 85 -2.117 -21.354 -4.519 645 HD1 PHE 85 HD1 PHE 85 1.285 -19.954 -4.950 646 HD2 PHE 85 HD2 PHE 85 -2.315 -19.927 -2.680 647 HE1 PHE 85 HE1 PHE 85 2.073 -17.967 -3.732 648 HE2 PHE 85 HE2 PHE 85 -1.534 -17.940 -1.458 649 HZ PHE 85 HZ PHE 85 0.662 -16.957 -1.983 650 H LEU 86 H LEU 86 -2.660 -23.441 -3.379 651 HA LEU 86 HA LEU 86 -2.481 -22.804 -0.629 652 HB2 LEU 86 2HB LEU 86 -4.523 -23.365 -2.218 653 HB3 LEU 86 3HB LEU 86 -4.277 -24.982 -1.562 654 HG LEU 86 HG LEU 86 -4.629 -22.610 0.242 655 HD11 LEU 86 1HD1 LEU 86 -7.032 -24.140 -0.033 656 HD12 LEU 86 2HD1 LEU 86 -6.550 -23.498 -1.603 657 HD13 LEU 86 3HD1 LEU 86 -6.782 -22.406 -0.238 658 HD21 LEU 86 3HD2 LEU 86 -4.673 -24.119 1.888 659 HD22 LEU 86 1HD2 LEU 86 -3.978 -25.235 0.712 660 HD23 LEU 86 2HD2 LEU 86 -5.721 -25.210 0.981 661 H ALA 87 H ALA 87 -2.348 -25.951 -2.301 662 HA ALA 87 HA ALA 87 -1.689 -27.448 -0.001 663 HB1 ALA 87 1HB ALA 87 -1.171 -29.252 -1.521 664 HB2 ALA 87 2HB ALA 87 -2.631 -28.423 -2.062 665 HB3 ALA 87 3HB ALA 87 -1.095 -28.128 -2.878 666 H ALA 88 H ALA 88 0.158 -25.331 -1.923 667 HA ALA 88 HA ALA 88 2.702 -26.552 -1.164 668 HB1 ALA 88 1HB ALA 88 3.733 -24.952 -2.651 669 HB2 ALA 88 2HB ALA 88 2.391 -25.746 -3.476 670 HB3 ALA 88 3HB ALA 88 2.198 -24.107 -2.856 671 H GLY 89 H GLY 89 0.641 -23.860 -0.371 672 HA2 GLY 89 2HA GLY 89 2.730 -22.642 1.286 673 HA3 GLY 89 3HA GLY 89 1.174 -21.926 0.893 674 H ASP 90 H ASP 90 -0.735 -23.349 1.749 675 HA ASP 90 HA ASP 90 -0.772 -23.189 4.504 676 HB2 ASP 90 2HB ASP 90 -2.875 -23.328 3.506 677 HB3 ASP 90 3HB ASP 90 -2.430 -24.726 2.532 678 H THR 91 H THR 91 0.752 -24.148 5.722 679 HA THR 91 HA THR 91 1.064 -27.068 5.451 680 HB THR 91 HB THR 91 3.353 -26.658 6.550 681 HG1 THR 91 HG1 THR 91 4.083 -24.638 6.615 682 HG21 THR 91 3HG2 THR 91 4.227 -25.769 4.207 683 HG22 THR 91 1HG2 THR 91 2.564 -26.113 3.733 684 HG23 THR 91 2HG2 THR 91 3.576 -27.397 4.395 685 H ASP 92 H ASP 92 1.186 -24.336 7.716 686 HA ASP 92 HA ASP 92 0.563 -26.210 9.900 687 HB2 ASP 92 2HB ASP 92 1.390 -24.355 11.399 688 HB3 ASP 92 3HB ASP 92 2.618 -25.086 10.369 689 H GLY 93 H GLY 93 -1.392 -25.143 8.044 690 HA2 GLY 93 2HA GLY 93 -3.075 -23.717 10.000 691 HA3 GLY 93 3HA GLY 93 -2.967 -23.146 8.342 692 H ASP 94 H ASP 94 -5.386 -23.841 9.546 693 HA ASP 94 HA ASP 94 -6.109 -26.509 8.712 694 HB2 ASP 94 2HB ASP 94 -7.837 -24.232 9.708 695 HB3 ASP 94 3HB ASP 94 -8.366 -25.898 9.483 696 H GLY 95 H GLY 95 -5.198 -25.659 6.473 697 HA2 GLY 95 2HA GLY 95 -5.924 -25.680 4.253 698 HA3 GLY 95 3HA GLY 95 -7.551 -25.313 4.806 699 H LYS 96 H LYS 96 -5.692 -23.170 6.389 700 HA LYS 96 HA LYS 96 -6.101 -21.125 4.317 701 HB2 LYS 96 2HB LYS 96 -5.647 -20.593 7.246 702 HB3 LYS 96 3HB LYS 96 -6.344 -19.519 6.040 703 HG2 LYS 96 2HG LYS 96 -8.236 -21.214 5.862 704 HG3 LYS 96 3HG LYS 96 -7.585 -21.918 7.345 705 HD2 LYS 96 2HD LYS 96 -7.737 -19.585 8.340 706 HD3 LYS 96 3HD LYS 96 -8.700 -19.154 6.925 707 HE2 LYS 96 2HE LYS 96 -9.934 -21.434 7.719 708 HE3 LYS 96 3HE LYS 96 -9.396 -20.789 9.269 709 HZ1 LYS 96 3HZ LYS 96 -11.122 -19.426 9.208 710 HZ2 LYS 96 1HZ LYS 96 -11.553 -19.946 7.656 711 HZ3 LYS 96 2HZ LYS 96 -10.466 -18.664 7.847 712 H ILE 97 H ILE 97 -4.529 -19.200 4.604 713 HA ILE 97 HA ILE 97 -1.818 -20.145 5.218 714 HB ILE 97 HB ILE 97 -2.673 -18.807 2.653 715 HG12 ILE 97 2HG1 ILE 97 -1.250 -21.419 3.213 716 HG13 ILE 97 3HG1 ILE 97 -2.930 -21.249 2.713 717 HG21 ILE 97 1HG2 ILE 97 -0.248 -18.831 2.081 718 HG22 ILE 97 2HG2 ILE 97 -0.673 -17.707 3.371 719 HG23 ILE 97 3HG2 ILE 97 0.094 -19.247 3.760 720 HD11 ILE 97 3HD1 ILE 97 -0.490 -20.543 1.104 721 HD12 ILE 97 1HD1 ILE 97 -1.592 -21.891 0.831 722 HD13 ILE 97 2HD1 ILE 97 -2.152 -20.234 0.602 723 H GLY 98 H GLY 98 -0.842 -18.785 6.558 724 HA2 GLY 98 2HA GLY 98 -1.870 -16.044 6.780 725 HA3 GLY 98 3HA GLY 98 -0.907 -16.883 7.987 726 H VAL 99 H VAL 99 1.078 -16.119 8.196 727 HA VAL 99 HA VAL 99 2.311 -14.752 5.904 728 HB VAL 99 HB VAL 99 3.911 -14.271 8.130 729 HG11 VAL 99 1HG1 VAL 99 3.401 -12.048 7.742 730 HG12 VAL 99 2HG1 VAL 99 3.005 -12.795 6.193 731 HG13 VAL 99 3HG1 VAL 99 1.721 -12.396 7.335 732 HG21 VAL 99 3HG2 VAL 99 2.277 -13.379 9.787 733 HG22 VAL 99 1HG2 VAL 99 0.994 -14.189 8.887 734 HG23 VAL 99 2HG2 VAL 99 2.270 -15.138 9.651 735 H GLU 100 H GLU 100 3.276 -16.808 8.658 736 HA GLU 100 HA GLU 100 5.813 -17.477 7.829 737 HB2 GLU 100 2HB GLU 100 3.883 -18.513 9.710 738 HB3 GLU 100 3HB GLU 100 4.767 -19.830 8.952 739 HG2 GLU 100 2HG GLU 100 6.846 -18.335 9.522 740 HG3 GLU 100 3HG GLU 100 5.750 -17.656 10.723 741 H GLU 101 H GLU 101 2.784 -19.176 7.060 742 HA GLU 101 HA GLU 101 3.934 -21.185 5.469 743 HB2 GLU 101 2HB GLU 101 1.160 -19.997 5.275 744 HB3 GLU 101 3HB GLU 101 1.670 -21.534 4.591 745 HG2 GLU 101 2HG GLU 101 1.704 -22.587 6.614 746 HG3 GLU 101 3HG GLU 101 2.034 -21.103 7.506 747 H PHE 102 H PHE 102 3.116 -17.876 4.803 748 HA PHE 102 HA PHE 102 3.133 -18.094 1.957 749 HB2 PHE 102 2HB PHE 102 1.998 -16.259 3.212 750 HB3 PHE 102 3HB PHE 102 3.583 -15.628 3.650 751 HD1 PHE 102 HD1 PHE 102 1.378 -16.377 0.771 752 HD2 PHE 102 HD2 PHE 102 4.760 -14.222 2.199 753 HE1 PHE 102 HE1 PHE 102 1.434 -15.085 -1.322 754 HE2 PHE 102 HE2 PHE 102 4.821 -12.926 0.108 755 HZ PHE 102 HZ PHE 102 3.156 -13.356 -1.655 756 H GLN 103 H GLN 103 5.421 -16.423 4.128 757 HA GLN 103 HA GLN 103 7.450 -16.066 2.271 758 HB2 GLN 103 2HB GLN 103 8.968 -15.899 4.257 759 HB3 GLN 103 3HB GLN 103 7.530 -14.890 4.353 760 HG2 GLN 103 2HG GLN 103 6.495 -16.368 5.897 761 HG3 GLN 103 3HG GLN 103 7.739 -17.592 5.651 762 HE21 GLN 103 1HE2 GLN 103 7.140 -14.365 6.913 763 HE22 GLN 103 2HE2 GLN 103 8.433 -14.372 8.059 764 H SER 104 H SER 104 6.676 -18.855 4.250 765 HA SER 104 HA SER 104 9.082 -20.282 3.801 766 HB2 SER 104 2HB SER 104 7.525 -20.821 5.640 767 HB3 SER 104 3HB SER 104 6.328 -21.357 4.462 768 HG SER 104 HG SER 104 8.917 -22.471 4.508 769 H LEU 105 H LEU 105 6.522 -19.510 1.751 770 HA LEU 105 HA LEU 105 7.083 -21.787 -0.022 771 HB2 LEU 105 2HB LEU 105 4.762 -21.610 0.455 772 HB3 LEU 105 3HB LEU 105 4.765 -19.876 0.136 773 HG LEU 105 HG LEU 105 5.469 -21.712 -2.097 774 HD11 LEU 105 1HD1 LEU 105 3.595 -22.908 -1.591 775 HD12 LEU 105 2HD1 LEU 105 2.870 -21.605 -2.531 776 HD13 LEU 105 3HD1 LEU 105 2.815 -21.556 -0.769 777 HD21 LEU 105 3HD2 LEU 105 5.202 -19.028 -1.887 778 HD22 LEU 105 1HD2 LEU 105 3.580 -19.481 -2.413 779 HD23 LEU 105 2HD2 LEU 105 4.981 -19.933 -3.385 780 H VAL 106 H VAL 106 6.857 -18.261 0.077 781 HA VAL 106 HA VAL 106 7.495 -17.792 -2.629 782 HB VAL 106 HB VAL 106 8.063 -15.978 -0.282 783 HG11 VAL 106 1HG1 VAL 106 9.052 -14.766 -1.887 784 HG12 VAL 106 2HG1 VAL 106 8.309 -15.703 -3.185 785 HG13 VAL 106 3HG1 VAL 106 7.408 -14.400 -2.410 786 HG21 VAL 106 3HG2 VAL 106 5.827 -16.115 -0.008 787 HG22 VAL 106 1HG2 VAL 106 5.797 -15.009 -1.381 788 HG23 VAL 106 2HG2 VAL 106 5.559 -16.737 -1.637 789 H LYS 107 H LYS 107 9.501 -18.046 0.275 790 HA LYS 107 HA LYS 107 11.948 -17.314 -0.883 791 HB2 LYS 107 2HB LYS 107 11.272 -19.071 1.471 792 HB3 LYS 107 3HB LYS 107 12.931 -18.709 1.014 793 HG2 LYS 107 2HG LYS 107 11.662 -16.234 1.107 794 HG3 LYS 107 3HG LYS 107 11.045 -17.121 2.503 795 HD2 LYS 107 2HD LYS 107 12.946 -16.169 3.385 796 HD3 LYS 107 3HD LYS 107 13.568 -17.732 2.850 797 HE2 LYS 107 2HE LYS 107 13.636 -15.399 0.987 798 HE3 LYS 107 3HE LYS 107 14.844 -15.525 2.265 799 HZ1 LYS 107 3HZ LYS 107 14.579 -17.046 -0.167 800 HZ2 LYS 107 1HZ LYS 107 14.861 -18.000 1.202 801 HZ3 LYS 107 2HZ LYS 107 15.944 -16.768 0.792 802 H ALA 108 H ALA 108 10.049 -20.124 -1.271 803 HA ALA 108 HA ALA 108 12.299 -21.739 -2.199 804 HB1 ALA 108 1HB ALA 108 10.421 -22.648 -0.741 805 HB2 ALA 108 2HB ALA 108 9.414 -22.574 -2.188 806 HB3 ALA 108 3HB ALA 108 10.855 -23.590 -2.168 Start of MODEL 18 1 H1 ALA 1 H ALA 1 0.019 -0.086 -1.037 2 HA ALA 1 HA ALA 1 0.844 -0.634 -3.757 3 HB1 ALA 1 1HB ALA 1 2.581 0.840 -1.840 4 HB2 ALA 1 2HB ALA 1 2.287 1.133 -3.554 5 HB3 ALA 1 3HB ALA 1 1.069 1.583 -2.362 6 H ILE 2 H ILE 2 2.507 -1.906 -4.406 7 HA ILE 2 HA ILE 2 3.876 -3.464 -2.311 8 HB ILE 2 HB ILE 2 2.441 -4.892 -3.629 9 HG12 ILE 2 2HG1 ILE 2 4.088 -6.509 -4.433 10 HG13 ILE 2 3HG1 ILE 2 5.323 -5.255 -4.479 11 HG21 ILE 2 1HG2 ILE 2 2.025 -4.515 -5.775 12 HG22 ILE 2 2HG2 ILE 2 3.177 -3.181 -5.743 13 HG23 ILE 2 3HG2 ILE 2 3.717 -4.801 -6.181 14 HD11 ILE 2 3HD1 ILE 2 5.210 -5.032 -2.067 15 HD12 ILE 2 1HD1 ILE 2 3.933 -6.246 -2.002 16 HD13 ILE 2 2HD1 ILE 2 5.555 -6.698 -2.529 17 H THR 3 H THR 3 4.235 -1.582 -5.219 18 HA THR 3 HA THR 3 6.808 -2.209 -6.010 19 HB THR 3 HB THR 3 6.959 0.059 -6.943 20 HG1 THR 3 HG1 THR 3 5.167 1.493 -6.528 21 HG21 THR 3 3HG2 THR 3 4.222 -0.256 -7.671 22 HG22 THR 3 1HG2 THR 3 4.936 -1.856 -7.478 23 HG23 THR 3 2HG2 THR 3 5.663 -0.694 -8.589 24 H ASP 4 H ASP 4 5.734 -0.408 -3.238 25 HA ASP 4 HA ASP 4 8.023 1.042 -2.607 26 HB2 ASP 4 2HB ASP 4 5.808 -0.139 -0.967 27 HB3 ASP 4 3HB ASP 4 7.185 0.609 -0.164 28 H ILE 5 H ILE 5 7.421 -2.354 -2.432 29 HA ILE 5 HA ILE 5 9.976 -2.740 -1.014 30 HB ILE 5 HB ILE 5 8.078 -5.008 -1.270 31 HG12 ILE 5 2HG1 ILE 5 7.656 -2.693 0.631 32 HG13 ILE 5 3HG1 ILE 5 6.563 -3.209 -0.648 33 HG21 ILE 5 1HG2 ILE 5 10.447 -4.715 -0.054 34 HG22 ILE 5 2HG2 ILE 5 9.379 -4.265 1.275 35 HG23 ILE 5 3HG2 ILE 5 9.209 -5.841 0.503 36 HD11 ILE 5 3HD1 ILE 5 7.222 -4.632 1.910 37 HD12 ILE 5 1HD1 ILE 5 5.662 -4.006 1.375 38 HD13 ILE 5 2HD1 ILE 5 6.375 -5.405 0.570 39 H LEU 6 H LEU 6 7.898 -4.415 -3.387 40 HA LEU 6 HA LEU 6 10.122 -5.822 -4.522 41 HB2 LEU 6 2HB LEU 6 7.230 -5.809 -4.787 42 HB3 LEU 6 3HB LEU 6 8.043 -5.986 -6.340 43 HG LEU 6 HG LEU 6 9.070 -8.010 -5.680 44 HD11 LEU 6 1HD1 LEU 6 8.695 -8.898 -3.334 45 HD12 LEU 6 2HD1 LEU 6 8.211 -7.259 -2.901 46 HD13 LEU 6 3HD1 LEU 6 9.840 -7.567 -3.502 47 HD21 LEU 6 3HD2 LEU 6 6.272 -8.038 -4.556 48 HD22 LEU 6 1HD2 LEU 6 7.186 -9.427 -5.144 49 HD23 LEU 6 2HD2 LEU 6 6.680 -8.165 -6.268 50 H SER 7 H SER 7 9.901 -5.773 -7.174 51 HA SER 7 HA SER 7 10.410 -2.960 -7.894 52 HB2 SER 7 2HB SER 7 11.971 -5.407 -8.338 53 HB3 SER 7 3HB SER 7 11.759 -4.425 -9.788 54 HG SER 7 HG SER 7 12.512 -2.625 -8.484 55 H ALA 8 H ALA 8 9.184 -2.117 -9.444 56 HA ALA 8 HA ALA 8 7.055 -3.540 -10.619 57 HB1 ALA 8 1HB ALA 8 7.797 -0.870 -10.374 58 HB2 ALA 8 2HB ALA 8 7.756 -1.170 -12.112 59 HB3 ALA 8 3HB ALA 8 6.331 -1.500 -11.126 60 H LYS 9 H LYS 9 10.341 -3.054 -11.584 61 HA LYS 9 HA LYS 9 9.857 -3.839 -14.337 62 HB2 LYS 9 2HB LYS 9 11.705 -2.208 -13.279 63 HB3 LYS 9 3HB LYS 9 12.618 -3.711 -13.250 64 HG2 LYS 9 2HG LYS 9 13.191 -2.771 -15.287 65 HG3 LYS 9 3HG LYS 9 11.932 -3.931 -15.718 66 HD2 LYS 9 2HD LYS 9 10.379 -2.286 -16.153 67 HD3 LYS 9 3HD LYS 9 11.161 -1.119 -15.084 68 HE2 LYS 9 2HE LYS 9 11.674 -0.280 -17.175 69 HE3 LYS 9 3HE LYS 9 13.104 -1.242 -16.803 70 HZ1 LYS 9 3HZ LYS 9 12.600 -2.770 -18.375 71 HZ2 LYS 9 1HZ LYS 9 11.818 -1.449 -19.088 72 HZ3 LYS 9 2HZ LYS 9 10.927 -2.584 -18.206 73 H ASP 10 H ASP 10 10.115 -5.432 -11.457 74 HA ASP 10 HA ASP 10 11.313 -7.815 -12.705 75 HB2 ASP 10 2HB ASP 10 11.043 -7.150 -9.765 76 HB3 ASP 10 3HB ASP 10 11.786 -8.605 -10.426 77 H ILE 11 H ILE 11 8.570 -6.563 -10.924 78 HA ILE 11 HA ILE 11 7.259 -8.986 -10.387 79 HB ILE 11 HB ILE 11 6.087 -6.244 -10.865 80 HG12 ILE 11 2HG1 ILE 11 6.264 -7.520 -8.179 81 HG13 ILE 11 3HG1 ILE 11 7.753 -6.898 -8.883 82 HG21 ILE 11 1HG2 ILE 11 4.851 -8.811 -9.931 83 HG22 ILE 11 2HG2 ILE 11 4.183 -7.247 -9.466 84 HG23 ILE 11 3HG2 ILE 11 4.283 -7.691 -11.169 85 HD11 ILE 11 3HD1 ILE 11 6.446 -5.354 -7.355 86 HD12 ILE 11 1HD1 ILE 11 6.947 -4.703 -8.916 87 HD13 ILE 11 2HD1 ILE 11 5.278 -5.222 -8.670 88 H GLU 12 H GLU 12 6.914 -6.734 -13.120 89 HA GLU 12 HA GLU 12 5.007 -8.350 -14.488 90 HB2 GLU 12 2HB GLU 12 5.116 -6.768 -16.224 91 HB3 GLU 12 3HB GLU 12 5.396 -5.840 -14.758 92 HG2 GLU 12 2HG GLU 12 7.894 -6.199 -15.270 93 HG3 GLU 12 3HG GLU 12 7.340 -6.623 -16.889 94 H SER 13 H SER 13 8.475 -8.225 -14.381 95 HA SER 13 HA SER 13 8.851 -9.770 -16.786 96 HB2 SER 13 2HB SER 13 10.813 -9.058 -14.591 97 HB3 SER 13 3HB SER 13 11.231 -9.768 -16.150 98 HG SER 13 HG SER 13 10.355 -7.878 -17.132 99 H ALA 14 H ALA 14 7.776 -10.525 -13.762 100 HA ALA 14 HA ALA 14 8.825 -13.275 -13.940 101 HB1 ALA 14 1HB ALA 14 9.081 -13.406 -11.682 102 HB2 ALA 14 2HB ALA 14 9.359 -11.677 -11.894 103 HB3 ALA 14 3HB ALA 14 7.783 -12.258 -11.354 104 H LEU 15 H LEU 15 6.033 -11.227 -13.528 105 HA LEU 15 HA LEU 15 4.129 -13.075 -12.702 106 HB2 LEU 15 2HB LEU 15 4.076 -10.525 -14.211 107 HB3 LEU 15 3HB LEU 15 2.630 -11.531 -14.278 108 HG LEU 15 HG LEU 15 3.902 -10.441 -11.767 109 HD11 LEU 15 1HD1 LEU 15 2.434 -8.725 -11.799 110 HD12 LEU 15 2HD1 LEU 15 1.182 -9.662 -12.614 111 HD13 LEU 15 3HD1 LEU 15 2.522 -8.986 -13.541 112 HD21 LEU 15 3HD2 LEU 15 2.233 -12.663 -12.112 113 HD22 LEU 15 1HD2 LEU 15 1.194 -11.369 -11.515 114 HD23 LEU 15 2HD2 LEU 15 2.628 -11.839 -10.603 115 H SER 16 H SER 16 4.327 -11.908 -16.059 116 HA SER 16 HA SER 16 3.275 -14.473 -16.968 117 HB2 SER 16 2HB SER 16 3.425 -11.723 -18.101 118 HB3 SER 16 3HB SER 16 3.418 -13.070 -19.239 119 HG SER 16 HG SER 16 1.401 -12.095 -17.653 120 H SER 17 H SER 17 5.837 -14.704 -16.017 121 HA SER 17 HA SER 17 7.343 -15.223 -18.491 122 HB2 SER 17 2HB SER 17 8.372 -14.002 -15.927 123 HB3 SER 17 3HB SER 17 9.437 -14.714 -17.139 124 HG SER 17 HG SER 17 8.654 -13.202 -18.634 125 H CYS 18 H CYS 18 6.802 -16.048 -15.103 126 HA CYS 18 HA CYS 18 8.119 -18.635 -15.529 127 HB2 CYS 18 2HB CYS 18 8.255 -18.840 -13.147 128 HB3 CYS 18 3HB CYS 18 8.782 -17.214 -13.563 129 HG CYS 18 HG CYS 18 7.122 -15.976 -12.051 130 H GLN 19 H GLN 19 5.266 -17.588 -16.231 131 HA GLN 19 HA GLN 19 3.820 -19.867 -15.047 132 HB2 GLN 19 2HB GLN 19 1.761 -18.582 -15.302 133 HB3 GLN 19 3HB GLN 19 2.924 -17.701 -14.318 134 HG2 GLN 19 2HG GLN 19 3.494 -16.291 -16.201 135 HG3 GLN 19 3HG GLN 19 2.406 -17.207 -17.241 136 HE21 GLN 19 1HE2 GLN 19 1.972 -16.049 -13.930 137 HE22 GLN 19 2HE2 GLN 19 0.589 -15.070 -14.265 138 H ALA 20 H ALA 20 5.395 -19.185 -17.702 139 HA ALA 20 HA ALA 20 3.426 -19.686 -19.736 140 HB1 ALA 20 1HB ALA 20 5.347 -18.346 -20.289 141 HB2 ALA 20 2HB ALA 20 6.439 -19.659 -19.846 142 HB3 ALA 20 3HB ALA 20 5.382 -19.826 -21.248 143 H ALA 21 H ALA 21 2.658 -21.665 -18.517 144 HA ALA 21 HA ALA 21 2.360 -23.922 -18.492 145 HB1 ALA 21 1HB ALA 21 2.648 -24.920 -20.468 146 HB2 ALA 21 2HB ALA 21 3.289 -23.371 -21.016 147 HB3 ALA 21 3HB ALA 21 4.388 -24.632 -20.460 148 H ASP 22 H ASP 22 4.264 -22.720 -16.731 149 HA ASP 22 HA ASP 22 5.718 -23.415 -15.117 150 HB2 ASP 22 2HB ASP 22 4.454 -25.670 -15.619 151 HB3 ASP 22 3HB ASP 22 5.988 -26.125 -16.355 152 H SER 23 H SER 23 6.570 -22.241 -17.618 153 HA SER 23 HA SER 23 8.764 -23.392 -18.822 154 HB2 SER 23 2HB SER 23 7.700 -21.242 -19.508 155 HB3 SER 23 3HB SER 23 8.485 -20.455 -18.138 156 HG SER 23 HG SER 23 9.510 -20.584 -20.427 157 H PHE 24 H PHE 24 8.882 -21.102 -16.087 158 HA PHE 24 HA PHE 24 10.535 -20.664 -14.570 159 HB2 PHE 24 2HB PHE 24 9.521 -23.058 -14.038 160 HB3 PHE 24 3HB PHE 24 11.157 -23.579 -14.429 161 HD1 PHE 24 HD2 PHE 24 12.759 -21.372 -13.347 162 HD2 PHE 24 HD1 PHE 24 9.335 -23.330 -11.748 163 HE1 PHE 24 HE2 PHE 24 13.488 -20.782 -11.073 164 HE2 PHE 24 HE1 PHE 24 10.058 -22.742 -9.471 165 HZ PHE 24 HZ PHE 24 12.138 -21.468 -9.131 166 H ASN 25 H ASN 25 11.601 -20.033 -16.857 167 HA ASN 25 HA ASN 25 13.961 -21.562 -17.484 168 HB2 ASN 25 2HB ASN 25 12.467 -20.021 -19.029 169 HB3 ASN 25 3HB ASN 25 13.566 -18.766 -18.464 170 HD21 ASN 25 1HD2 ASN 25 14.818 -18.377 -20.165 171 HD22 ASN 25 2HD2 ASN 25 15.741 -19.563 -21.017 172 H TYR 26 H TYR 26 16.102 -20.349 -17.648 173 HA TYR 26 HA TYR 26 16.918 -19.599 -15.060 174 HB2 TYR 26 2HB TYR 26 19.085 -19.188 -16.030 175 HB3 TYR 26 3HB TYR 26 18.396 -20.611 -16.803 176 HD1 TYR 26 HD2 TYR 26 19.309 -17.085 -17.261 177 HD2 TYR 26 HD1 TYR 26 17.786 -20.585 -19.139 178 HE1 TYR 26 HE2 TYR 26 19.661 -16.049 -19.463 179 HE2 TYR 26 HE1 TYR 26 18.135 -19.560 -21.347 180 HH TYR 26 HH TYR 26 19.980 -16.747 -21.795 181 H LYS 27 H LYS 27 15.680 -17.782 -17.728 182 HA LYS 27 HA LYS 27 16.684 -15.233 -16.955 183 HB2 LYS 27 2HB LYS 27 14.604 -16.223 -18.854 184 HB3 LYS 27 3HB LYS 27 14.586 -14.522 -18.408 185 HG2 LYS 27 2HG LYS 27 17.138 -14.674 -19.027 186 HG3 LYS 27 3HG LYS 27 16.587 -16.052 -19.983 187 HD2 LYS 27 2HD LYS 27 15.368 -14.749 -21.410 188 HD3 LYS 27 3HD LYS 27 15.045 -13.520 -20.184 189 HE2 LYS 27 2HE LYS 27 17.462 -12.872 -20.336 190 HE3 LYS 27 3HE LYS 27 17.604 -13.964 -21.713 191 HZ1 LYS 27 3HZ LYS 27 16.841 -12.363 -23.013 192 HZ2 LYS 27 1HZ LYS 27 16.699 -11.318 -21.690 193 HZ3 LYS 27 2HZ LYS 27 15.396 -12.299 -22.136 194 H SER 28 H SER 28 13.710 -17.012 -16.296 195 HA SER 28 HA SER 28 12.401 -14.873 -14.947 196 HB2 SER 28 2HB SER 28 11.783 -17.562 -15.708 197 HB3 SER 28 3HB SER 28 11.407 -17.361 -13.996 198 HG SER 28 HG SER 28 10.106 -15.599 -14.535 199 H PHE 29 H PHE 29 14.517 -17.487 -13.948 200 HA PHE 29 HA PHE 29 14.135 -16.986 -11.135 201 HB2 PHE 29 2HB PHE 29 14.638 -19.248 -11.878 202 HB3 PHE 29 3HB PHE 29 16.148 -18.703 -12.601 203 HD1 PHE 29 HD1 PHE 29 17.974 -17.857 -11.109 204 HD2 PHE 29 HD2 PHE 29 14.513 -19.827 -9.607 205 HE1 PHE 29 HE1 PHE 29 19.148 -18.299 -8.993 206 HE2 PHE 29 HE2 PHE 29 15.681 -20.271 -7.488 207 HZ PHE 29 HZ PHE 29 18.002 -19.506 -7.178 208 H PHE 30 H PHE 30 16.398 -16.063 -13.630 209 HA PHE 30 HA PHE 30 18.433 -15.070 -11.922 210 HB2 PHE 30 2HB PHE 30 18.895 -15.615 -14.254 211 HB3 PHE 30 3HB PHE 30 17.772 -14.369 -14.789 212 HD1 PHE 30 HD1 PHE 30 18.318 -11.977 -14.406 213 HD2 PHE 30 HD2 PHE 30 21.118 -15.094 -13.656 214 HE1 PHE 30 HE1 PHE 30 20.148 -10.332 -14.424 215 HE2 PHE 30 HE2 PHE 30 22.952 -13.454 -13.672 216 HZ PHE 30 HZ PHE 30 22.469 -11.070 -14.055 217 H SER 31 H SER 31 15.867 -13.418 -13.759 218 HA SER 31 HA SER 31 16.269 -11.055 -12.053 219 HB2 SER 31 2HB SER 31 15.658 -11.412 -14.889 220 HB3 SER 31 3HB SER 31 14.568 -10.277 -14.094 221 HG SER 31 HG SER 31 16.710 -9.433 -13.199 222 H THR 32 H THR 32 14.886 -13.222 -10.981 223 HA THR 32 HA THR 32 12.157 -13.341 -11.264 224 HB THR 32 HB THR 32 13.384 -13.388 -8.521 225 HG1 THR 32 HG1 THR 32 13.949 -15.027 -10.705 226 HG21 THR 32 3HG2 THR 32 11.233 -13.998 -8.176 227 HG22 THR 32 1HG2 THR 32 11.802 -15.569 -8.738 228 HG23 THR 32 2HG2 THR 32 10.989 -14.475 -9.856 229 H VAL 33 H VAL 33 10.439 -12.473 -9.859 230 HA VAL 33 HA VAL 33 10.210 -9.733 -9.976 231 HB VAL 33 HB VAL 33 8.237 -11.022 -9.653 232 HG11 VAL 33 1HG1 VAL 33 7.789 -12.235 -7.538 233 HG12 VAL 33 2HG1 VAL 33 9.141 -12.905 -8.453 234 HG13 VAL 33 3HG1 VAL 33 9.446 -11.902 -7.035 235 HG21 VAL 33 3HG2 VAL 33 8.526 -8.712 -8.492 236 HG22 VAL 33 1HG2 VAL 33 7.103 -9.693 -8.139 237 HG23 VAL 33 2HG2 VAL 33 8.451 -9.654 -7.003 238 H GLY 34 H GLY 34 11.572 -11.712 -7.412 239 HA2 GLY 34 2HA GLY 34 13.400 -10.554 -6.171 240 HA3 GLY 34 3HA GLY 34 12.263 -9.230 -5.963 241 H LEU 35 H LEU 35 9.979 -10.923 -5.439 242 HA LEU 35 HA LEU 35 10.014 -11.045 -2.691 243 HB2 LEU 35 2HB LEU 35 8.243 -11.774 -4.766 244 HB3 LEU 35 3HB LEU 35 8.348 -13.151 -3.672 245 HG LEU 35 HG LEU 35 7.422 -10.356 -3.046 246 HD11 LEU 35 1HD1 LEU 35 5.381 -11.198 -3.244 247 HD12 LEU 35 2HD1 LEU 35 5.766 -12.515 -2.136 248 HD13 LEU 35 3HD1 LEU 35 6.097 -12.688 -3.859 249 HD21 LEU 35 3HD2 LEU 35 7.027 -11.605 -0.737 250 HD22 LEU 35 1HD2 LEU 35 8.518 -10.731 -1.088 251 HD23 LEU 35 2HD2 LEU 35 8.463 -12.485 -1.261 252 H SER 36 H SER 36 10.400 -13.818 -4.904 253 HA SER 36 HA SER 36 11.037 -15.674 -2.876 254 HB2 SER 36 2HB SER 36 11.625 -15.707 -5.844 255 HB3 SER 36 3HB SER 36 11.892 -17.080 -4.769 256 HG SER 36 HG SER 36 9.416 -15.797 -5.304 257 H SER 37 H SER 37 12.844 -13.169 -4.289 258 HA SER 37 HA SER 37 15.372 -14.363 -3.364 259 HB2 SER 37 2HB SER 37 14.981 -13.503 -5.827 260 HB3 SER 37 3HB SER 37 15.302 -11.928 -5.102 261 HG SER 37 HG SER 37 17.223 -13.165 -4.171 262 H LYS 38 H LYS 38 13.279 -12.946 -1.775 263 HA LYS 38 HA LYS 38 14.846 -10.631 -0.857 264 HB2 LYS 38 2HB LYS 38 11.926 -11.294 -0.767 265 HB3 LYS 38 3HB LYS 38 12.602 -10.195 0.428 266 HG2 LYS 38 2HG LYS 38 13.323 -9.604 -2.357 267 HG3 LYS 38 3HG LYS 38 11.611 -9.431 -1.963 268 HD2 LYS 38 2HD LYS 38 12.160 -7.928 -0.136 269 HD3 LYS 38 3HD LYS 38 13.883 -8.147 -0.446 270 HE2 LYS 38 2HE LYS 38 13.861 -6.808 -2.283 271 HE3 LYS 38 3HE LYS 38 12.212 -7.252 -2.721 272 HZ1 LYS 38 3HZ LYS 38 13.136 -5.022 -1.209 273 HZ2 LYS 38 1HZ LYS 38 11.972 -5.900 -0.351 274 HZ3 LYS 38 2HZ LYS 38 11.613 -5.299 -1.890 275 H THR 39 H THR 39 14.258 -10.241 1.633 276 HA THR 39 HA THR 39 15.290 -12.599 2.994 277 HB THR 39 HB THR 39 15.706 -9.842 3.315 278 HG1 THR 39 HG1 THR 39 16.950 -10.795 5.222 279 HG21 THR 39 3HG2 THR 39 15.123 -9.395 5.614 280 HG22 THR 39 1HG2 THR 39 14.431 -11.007 5.793 281 HG23 THR 39 2HG2 THR 39 13.660 -9.829 4.730 282 HA PRO 40 HA PRO 40 11.545 -13.799 4.945 283 HB2 PRO 40 2HB PRO 40 12.446 -14.653 7.359 284 HB3 PRO 40 3HB PRO 40 12.717 -15.550 5.861 285 HG2 PRO 40 2HG PRO 40 14.569 -13.713 7.330 286 HG3 PRO 40 3HG PRO 40 14.914 -15.279 6.575 287 HD2 PRO 40 2HD PRO 40 15.524 -12.923 5.387 288 HD3 PRO 40 3HD PRO 40 15.068 -14.369 4.463 289 H ASP 41 H ASP 41 11.026 -11.378 4.971 290 HA ASP 41 HA ASP 41 9.972 -10.707 7.502 291 HB2 ASP 41 2HB ASP 41 12.546 -10.120 7.587 292 HB3 ASP 41 3HB ASP 41 12.028 -8.691 6.697 293 H GLN 42 H GLN 42 11.072 -9.462 4.379 294 HA GLN 42 HA GLN 42 8.997 -7.455 4.296 295 HB2 GLN 42 2HB GLN 42 10.827 -8.341 2.063 296 HB3 GLN 42 3HB GLN 42 9.912 -6.841 2.153 297 HG2 GLN 42 2HG GLN 42 12.343 -7.652 3.699 298 HG3 GLN 42 3HG GLN 42 12.099 -6.236 2.678 299 HE21 GLN 42 1HE2 GLN 42 10.654 -4.582 3.452 300 HE22 GLN 42 2HE2 GLN 42 10.468 -4.336 5.152 301 H ILE 43 H ILE 43 9.469 -10.706 3.192 302 HA ILE 43 HA ILE 43 7.641 -10.848 1.098 303 HB ILE 43 HB ILE 43 8.242 -12.994 3.138 304 HG12 ILE 43 2HG1 ILE 43 9.515 -12.492 0.440 305 HG13 ILE 43 3HG1 ILE 43 10.244 -12.056 1.981 306 HG21 ILE 43 1HG2 ILE 43 7.739 -14.260 0.781 307 HG22 ILE 43 2HG2 ILE 43 6.566 -14.042 2.079 308 HG23 ILE 43 3HG2 ILE 43 6.594 -12.921 0.718 309 HD11 ILE 43 3HD1 ILE 43 10.777 -14.330 0.697 310 HD12 ILE 43 1HD1 ILE 43 10.832 -14.180 2.453 311 HD13 ILE 43 2HD1 ILE 43 9.408 -14.867 1.671 312 H LYS 44 H LYS 44 7.104 -11.478 4.563 313 HA LYS 44 HA LYS 44 4.400 -12.090 4.453 314 HB2 LYS 44 2HB LYS 44 4.363 -11.159 6.836 315 HB3 LYS 44 3HB LYS 44 5.485 -12.472 6.504 316 HG2 LYS 44 2HG LYS 44 7.339 -11.092 6.615 317 HG3 LYS 44 3HG LYS 44 6.393 -9.630 6.322 318 HD2 LYS 44 2HD LYS 44 7.058 -9.661 8.630 319 HD3 LYS 44 3HD LYS 44 5.320 -9.954 8.544 320 HE2 LYS 44 2HE LYS 44 7.153 -12.297 8.548 321 HE3 LYS 44 3HE LYS 44 6.906 -11.428 10.062 322 HZ1 LYS 44 3HZ LYS 44 5.261 -13.349 8.945 323 HZ2 LYS 44 1HZ LYS 44 4.427 -11.886 8.778 324 HZ3 LYS 44 2HZ LYS 44 4.943 -12.395 10.306 325 H LYS 45 H LYS 45 6.004 -8.970 4.428 326 HA LYS 45 HA LYS 45 3.678 -7.397 4.852 327 HB2 LYS 45 2HB LYS 45 6.358 -6.748 3.622 328 HB3 LYS 45 3HB LYS 45 5.102 -5.547 3.891 329 HG2 LYS 45 2HG LYS 45 6.370 -7.224 6.047 330 HG3 LYS 45 3HG LYS 45 6.820 -5.563 5.653 331 HD2 LYS 45 2HD LYS 45 4.557 -4.817 6.197 332 HD3 LYS 45 3HD LYS 45 4.094 -6.479 6.572 333 HE2 LYS 45 2HE LYS 45 4.621 -5.884 8.679 334 HE3 LYS 45 3HE LYS 45 6.272 -6.202 8.148 335 HZ1 LYS 45 3HZ LYS 45 4.907 -3.604 8.462 336 HZ2 LYS 45 1HZ LYS 45 6.264 -3.754 7.462 337 HZ3 LYS 45 2HZ LYS 45 6.385 -4.111 9.111 338 H VAL 46 H VAL 46 4.905 -9.092 2.141 339 HA VAL 46 HA VAL 46 3.459 -7.495 0.193 340 HB VAL 46 HB VAL 46 5.012 -10.063 -0.158 341 HG11 VAL 46 1HG1 VAL 46 3.684 -8.224 -2.132 342 HG12 VAL 46 2HG1 VAL 46 4.963 -9.350 -2.589 343 HG13 VAL 46 3HG1 VAL 46 3.448 -9.959 -1.923 344 HG21 VAL 46 3HG2 VAL 46 6.589 -8.441 0.413 345 HG22 VAL 46 1HG2 VAL 46 6.593 -8.423 -1.350 346 HG23 VAL 46 2HG2 VAL 46 5.734 -7.167 -0.457 347 H PHE 47 H PHE 47 2.963 -10.293 2.128 348 HA PHE 47 HA PHE 47 0.921 -11.461 0.476 349 HB2 PHE 47 2HB PHE 47 1.690 -13.166 1.746 350 HB3 PHE 47 3HB PHE 47 2.241 -12.090 3.026 351 HD1 PHE 47 HD2 PHE 47 -0.723 -13.814 1.650 352 HD2 PHE 47 HD1 PHE 47 0.970 -11.766 4.975 353 HE1 PHE 47 HE2 PHE 47 -2.635 -14.497 3.040 354 HE2 PHE 47 HE1 PHE 47 -0.939 -12.447 6.371 355 HZ PHE 47 HZ PHE 47 -2.745 -13.813 5.403 356 H GLY 48 H GLY 48 1.055 -9.241 3.183 357 HA2 GLY 48 2HA GLY 48 -1.578 -9.305 4.060 358 HA3 GLY 48 3HA GLY 48 -0.548 -7.881 4.105 359 H ILE 49 H ILE 49 -0.318 -8.092 1.082 360 HA ILE 49 HA ILE 49 -2.503 -6.333 0.503 361 HB ILE 49 HB ILE 49 -0.611 -7.554 -1.502 362 HG12 ILE 49 2HG1 ILE 49 -0.229 -5.042 0.142 363 HG13 ILE 49 3HG1 ILE 49 0.658 -6.546 0.363 364 HG21 ILE 49 1HG2 ILE 49 -1.793 -4.812 -1.627 365 HG22 ILE 49 2HG2 ILE 49 -1.219 -5.846 -2.935 366 HG23 ILE 49 3HG2 ILE 49 -2.744 -6.211 -2.127 367 HD11 ILE 49 3HD1 ILE 49 0.823 -5.643 -2.365 368 HD12 ILE 49 1HD1 ILE 49 1.364 -4.395 -1.242 369 HD13 ILE 49 2HD1 ILE 49 2.110 -5.994 -1.212 370 H LEU 50 H LEU 50 -1.587 -9.602 -0.541 371 HA LEU 50 HA LEU 50 -3.543 -10.140 -2.378 372 HB2 LEU 50 2HB LEU 50 -2.927 -12.225 -0.341 373 HB3 LEU 50 3HB LEU 50 -3.079 -12.374 -2.091 374 HG LEU 50 HG LEU 50 -0.732 -11.275 -0.550 375 HD11 LEU 50 1HD1 LEU 50 -1.225 -13.764 -2.151 376 HD12 LEU 50 2HD1 LEU 50 -0.638 -13.613 -0.495 377 HD13 LEU 50 3HD1 LEU 50 0.402 -13.156 -1.844 378 HD21 LEU 50 3HD2 LEU 50 0.092 -11.467 -3.132 379 HD22 LEU 50 1HD2 LEU 50 -0.433 -9.974 -2.354 380 HD23 LEU 50 2HD2 LEU 50 -1.567 -10.900 -3.338 381 H ASP 51 H ASP 51 -3.804 -10.924 1.095 382 HA ASP 51 HA ASP 51 -6.426 -11.738 1.160 383 HB2 ASP 51 2HB ASP 51 -4.557 -11.442 3.046 384 HB3 ASP 51 3HB ASP 51 -5.514 -10.007 3.403 385 H GLN 52 H GLN 52 -8.334 -10.587 2.068 386 HA GLN 52 HA GLN 52 -8.431 -7.766 1.246 387 HB2 GLN 52 2HB GLN 52 -10.932 -8.515 0.630 388 HB3 GLN 52 3HB GLN 52 -9.614 -8.537 -0.533 389 HG2 GLN 52 2HG GLN 52 -9.490 -10.803 -0.569 390 HG3 GLN 52 3HG GLN 52 -10.036 -10.971 1.099 391 HE21 GLN 52 1HE2 GLN 52 -12.384 -9.948 1.305 392 HE22 GLN 52 2HE2 GLN 52 -13.516 -10.591 0.170 393 H ASP 53 H ASP 53 -10.463 -10.260 2.793 394 HA ASP 53 HA ASP 53 -11.594 -8.291 4.586 395 HB2 ASP 53 2HB ASP 53 -12.024 -11.260 4.247 396 HB3 ASP 53 3HB ASP 53 -12.814 -10.320 5.510 397 H LYS 54 H LYS 54 -9.006 -10.543 4.596 398 HA LYS 54 HA LYS 54 -7.504 -11.205 6.174 399 HB2 LYS 54 2HB LYS 54 -8.378 -8.609 7.452 400 HB3 LYS 54 3HB LYS 54 -6.960 -9.533 7.928 401 HG2 LYS 54 2HG LYS 54 -7.197 -8.748 5.079 402 HG3 LYS 54 3HG LYS 54 -6.819 -7.489 6.257 403 HD2 LYS 54 2HD LYS 54 -5.289 -10.031 6.409 404 HD3 LYS 54 3HD LYS 54 -4.928 -8.934 5.074 405 HE2 LYS 54 2HE LYS 54 -3.449 -8.288 6.764 406 HE3 LYS 54 3HE LYS 54 -4.759 -7.113 6.865 407 HZ1 LYS 54 3HZ LYS 54 -5.092 -9.474 8.507 408 HZ2 LYS 54 1HZ LYS 54 -5.374 -7.848 8.878 409 HZ3 LYS 54 2HZ LYS 54 -3.804 -8.473 8.955 410 H SER 55 H SER 55 -10.055 -12.345 6.422 411 HA SER 55 HA SER 55 -11.203 -12.249 8.955 412 HB2 SER 55 2HB SER 55 -12.411 -14.132 8.338 413 HB3 SER 55 3HB SER 55 -11.931 -13.501 6.763 414 HG SER 55 HG SER 55 -11.160 -15.446 6.514 415 H GLY 56 H GLY 56 -8.252 -13.706 7.892 416 HA2 GLY 56 2HA GLY 56 -6.953 -13.985 10.209 417 HA3 GLY 56 3HA GLY 56 -8.009 -15.389 10.251 418 H PHE 57 H PHE 57 -7.976 -16.113 7.562 419 HA PHE 57 HA PHE 57 -5.212 -16.419 6.750 420 HB2 PHE 57 2HB PHE 57 -6.889 -18.785 7.606 421 HB3 PHE 57 3HB PHE 57 -5.393 -18.918 6.689 422 HD1 PHE 57 HD1 PHE 57 -3.251 -18.455 7.724 423 HD2 PHE 57 HD2 PHE 57 -6.874 -18.191 9.941 424 HE1 PHE 57 HE1 PHE 57 -1.964 -18.455 9.820 425 HE2 PHE 57 HE2 PHE 57 -5.593 -18.189 12.041 426 HZ PHE 57 HZ PHE 57 -3.134 -18.320 11.983 427 H ILE 58 H ILE 58 -5.260 -16.011 4.650 428 HA ILE 58 HA ILE 58 -7.496 -15.900 3.032 429 HB ILE 58 HB ILE 58 -4.592 -16.285 2.352 430 HG12 ILE 58 2HG1 ILE 58 -6.489 -13.965 1.937 431 HG13 ILE 58 3HG1 ILE 58 -5.351 -14.107 3.272 432 HG21 ILE 58 1HG2 ILE 58 -5.650 -17.337 0.531 433 HG22 ILE 58 2HG2 ILE 58 -6.943 -16.139 0.488 434 HG23 ILE 58 3HG2 ILE 58 -5.311 -15.693 -0.011 435 HD11 ILE 58 3HD1 ILE 58 -3.792 -14.460 1.014 436 HD12 ILE 58 1HD1 ILE 58 -4.928 -13.186 0.570 437 HD13 ILE 58 2HD1 ILE 58 -3.913 -13.003 2.001 438 H GLU 59 H GLU 59 -8.873 -17.580 2.885 439 HA GLU 59 HA GLU 59 -8.020 -20.300 2.726 440 HB2 GLU 59 2HB GLU 59 -10.396 -19.013 3.314 441 HB3 GLU 59 3HB GLU 59 -10.724 -19.769 1.761 442 HG2 GLU 59 2HG GLU 59 -9.425 -21.718 3.286 443 HG3 GLU 59 3HG GLU 59 -10.580 -20.948 4.372 444 H GLU 60 H GLU 60 -9.555 -21.467 0.802 445 HA GLU 60 HA GLU 60 -7.985 -21.048 -1.534 446 HB2 GLU 60 2HB GLU 60 -8.899 -23.256 -0.856 447 HB3 GLU 60 3HB GLU 60 -10.515 -22.673 -1.227 448 HG2 GLU 60 2HG GLU 60 -8.488 -22.462 -3.369 449 HG3 GLU 60 3HG GLU 60 -9.052 -24.078 -2.947 450 H GLU 61 H GLU 61 -10.708 -19.489 -0.338 451 HA GLU 61 HA GLU 61 -11.980 -18.892 -2.843 452 HB2 GLU 61 2HB GLU 61 -12.295 -17.655 -0.103 453 HB3 GLU 61 3HB GLU 61 -13.302 -17.271 -1.492 454 HG2 GLU 61 2HG GLU 61 -13.792 -19.797 -1.559 455 HG3 GLU 61 3HG GLU 61 -13.161 -19.806 0.087 456 H GLU 62 H GLU 62 -9.927 -17.094 -0.567 457 HA GLU 62 HA GLU 62 -9.739 -14.852 -2.398 458 HB2 GLU 62 2HB GLU 62 -8.962 -15.389 0.411 459 HB3 GLU 62 3HB GLU 62 -7.965 -14.239 -0.468 460 HG2 GLU 62 2HG GLU 62 -9.585 -12.943 0.598 461 HG3 GLU 62 3HG GLU 62 -10.126 -13.056 -1.075 462 H LEU 63 H LEU 63 -8.337 -17.787 -2.309 463 HA LEU 63 HA LEU 63 -5.603 -17.001 -2.834 464 HB2 LEU 63 2HB LEU 63 -6.659 -19.237 -1.803 465 HB3 LEU 63 3HB LEU 63 -6.542 -19.729 -3.491 466 HG LEU 63 HG LEU 63 -4.120 -19.240 -3.432 467 HD11 LEU 63 1HD1 LEU 63 -4.809 -17.927 -1.020 468 HD12 LEU 63 2HD1 LEU 63 -3.232 -18.033 -1.802 469 HD13 LEU 63 3HD1 LEU 63 -3.714 -19.250 -0.620 470 HD21 LEU 63 3HD2 LEU 63 -3.796 -21.365 -2.861 471 HD22 LEU 63 1HD2 LEU 63 -5.487 -21.413 -2.361 472 HD23 LEU 63 2HD2 LEU 63 -4.228 -21.048 -1.180 473 H GLN 64 H GLN 64 -8.465 -17.833 -4.642 474 HA GLN 64 HA GLN 64 -7.207 -18.326 -7.132 475 HB2 GLN 64 2HB GLN 64 -9.372 -18.311 -8.072 476 HB3 GLN 64 3HB GLN 64 -9.576 -18.950 -6.447 477 HG2 GLN 64 2HG GLN 64 -10.362 -16.784 -5.674 478 HG3 GLN 64 3HG GLN 64 -10.120 -16.112 -7.286 479 HE21 GLN 64 1HE2 GLN 64 -12.557 -16.159 -5.815 480 HE22 GLN 64 2HE2 GLN 64 -13.690 -17.099 -6.720 481 H LEU 65 H LEU 65 -7.371 -15.544 -5.353 482 HA LEU 65 HA LEU 65 -7.384 -13.803 -7.722 483 HB2 LEU 65 2HB LEU 65 -7.358 -12.691 -4.970 484 HB3 LEU 65 3HB LEU 65 -8.136 -12.078 -6.427 485 HG LEU 65 HG LEU 65 -9.140 -14.484 -4.920 486 HD11 LEU 65 1HD1 LEU 65 -10.680 -13.100 -3.769 487 HD12 LEU 65 2HD1 LEU 65 -10.197 -11.677 -4.691 488 HD13 LEU 65 3HD1 LEU 65 -9.084 -12.391 -3.524 489 HD21 LEU 65 3HD2 LEU 65 -10.886 -12.738 -6.542 490 HD22 LEU 65 1HD2 LEU 65 -10.893 -14.491 -6.348 491 HD23 LEU 65 2HD2 LEU 65 -9.722 -13.728 -7.424 492 H PHE 66 H PHE 66 -5.156 -15.534 -6.644 493 HA PHE 66 HA PHE 66 -3.171 -13.892 -5.501 494 HB2 PHE 66 2HB PHE 66 -2.940 -16.278 -5.364 495 HB3 PHE 66 3HB PHE 66 -2.975 -16.436 -7.117 496 HD1 PHE 66 HD1 PHE 66 -0.962 -15.398 -4.231 497 HD2 PHE 66 HD2 PHE 66 -1.024 -16.031 -8.439 498 HE1 PHE 66 HE1 PHE 66 1.494 -15.254 -4.285 499 HE2 PHE 66 HE2 PHE 66 1.431 -15.889 -8.501 500 HZ PHE 66 HZ PHE 66 2.694 -15.501 -6.422 501 H LEU 67 H LEU 67 -4.309 -14.256 -8.741 502 HA LEU 67 HA LEU 67 -1.977 -12.915 -9.869 503 HB2 LEU 67 2HB LEU 67 -4.467 -14.027 -11.152 504 HB3 LEU 67 3HB LEU 67 -3.148 -13.257 -12.032 505 HG LEU 67 HG LEU 67 -2.853 -15.769 -10.389 506 HD11 LEU 67 1HD1 LEU 67 -4.296 -15.642 -12.657 507 HD12 LEU 67 2HD1 LEU 67 -3.338 -17.044 -12.181 508 HD13 LEU 67 3HD1 LEU 67 -2.682 -15.876 -13.328 509 HD21 LEU 67 3HD2 LEU 67 -0.830 -15.783 -12.151 510 HD22 LEU 67 1HD2 LEU 67 -0.708 -15.076 -10.540 511 HD23 LEU 67 2HD2 LEU 67 -1.022 -14.043 -11.934 512 H LYS 68 H LYS 68 -4.879 -12.071 -8.457 513 HA LYS 68 HA LYS 68 -5.396 -9.739 -10.103 514 HB2 LYS 68 2HB LYS 68 -6.665 -10.627 -7.505 515 HB3 LYS 68 3HB LYS 68 -7.229 -9.304 -8.518 516 HG2 LYS 68 2HG LYS 68 -6.969 -12.012 -9.722 517 HG3 LYS 68 3HG LYS 68 -8.328 -11.681 -8.645 518 HD2 LYS 68 2HD LYS 68 -8.070 -9.493 -10.439 519 HD3 LYS 68 3HD LYS 68 -8.020 -10.983 -11.384 520 HE2 LYS 68 2HE LYS 68 -10.267 -10.782 -11.292 521 HE3 LYS 68 3HE LYS 68 -10.053 -11.560 -9.725 522 HZ1 LYS 68 3HZ LYS 68 -9.799 -8.677 -9.705 523 HZ2 LYS 68 1HZ LYS 68 -10.615 -9.701 -8.633 524 HZ3 LYS 68 2HZ LYS 68 -11.344 -9.248 -10.091 525 H ASN 69 H ASN 69 -3.528 -10.551 -7.361 526 HA ASN 69 HA ASN 69 -3.438 -7.852 -6.305 527 HB2 ASN 69 2HB ASN 69 -1.515 -9.964 -5.436 528 HB3 ASN 69 3HB ASN 69 -2.331 -8.730 -4.481 529 HD21 ASN 69 1HD2 ASN 69 -4.839 -9.025 -4.611 530 HD22 ASN 69 2HD2 ASN 69 -5.384 -10.629 -4.270 531 H PHE 70 H PHE 70 -1.743 -9.766 -8.586 532 HA PHE 70 HA PHE 70 0.515 -7.881 -8.589 533 HB2 PHE 70 2HB PHE 70 0.263 -10.687 -9.680 534 HB3 PHE 70 3HB PHE 70 1.639 -9.640 -10.012 535 HD1 PHE 70 HD2 PHE 70 -0.271 -11.189 -7.230 536 HD2 PHE 70 HD1 PHE 70 3.436 -9.561 -8.545 537 HE1 PHE 70 HE2 PHE 70 0.794 -11.935 -5.141 538 HE2 PHE 70 HE1 PHE 70 4.507 -10.306 -6.458 539 HZ PHE 70 HZ PHE 70 3.185 -11.494 -4.753 540 H SER 71 H SER 71 -1.638 -9.648 -10.805 541 HA SER 71 HA SER 71 -1.156 -7.554 -12.818 542 HB2 SER 71 2HB SER 71 -0.678 -10.084 -13.275 543 HB3 SER 71 3HB SER 71 -2.428 -10.195 -13.465 544 HG SER 71 HG SER 71 -0.712 -8.437 -14.891 545 H SER 72 H SER 72 -3.029 -7.044 -14.229 546 HA SER 72 HA SER 72 -5.544 -7.104 -12.691 547 HB2 SER 72 2HB SER 72 -4.615 -4.930 -14.583 548 HB3 SER 72 3HB SER 72 -6.086 -4.916 -13.611 549 HG SER 72 HG SER 72 -3.401 -4.759 -12.741 550 H SER 73 H SER 73 -4.366 -8.824 -14.926 551 HA SER 73 HA SER 73 -6.629 -8.560 -16.797 552 HB2 SER 73 2HB SER 73 -4.215 -8.200 -17.665 553 HB3 SER 73 3HB SER 73 -4.053 -9.948 -17.499 554 HG SER 73 HG SER 73 -4.773 -9.189 -19.604 555 H ALA 74 H ALA 74 -4.534 -10.807 -15.056 556 HA ALA 74 HA ALA 74 -5.846 -13.178 -15.868 557 HB1 ALA 74 1HB ALA 74 -3.833 -13.737 -15.005 558 HB2 ALA 74 2HB ALA 74 -3.859 -12.438 -13.813 559 HB3 ALA 74 3HB ALA 74 -4.776 -13.917 -13.526 560 H ARG 75 H ARG 75 -7.967 -13.450 -15.544 561 HA ARG 75 HA ARG 75 -9.617 -12.270 -13.717 562 HB2 ARG 75 2HB ARG 75 -10.866 -14.629 -13.900 563 HB3 ARG 75 3HB ARG 75 -10.854 -13.458 -15.211 564 HG2 ARG 75 2HG ARG 75 -9.514 -14.726 -16.520 565 HG3 ARG 75 3HG ARG 75 -8.629 -15.399 -15.150 566 HD2 ARG 75 2HD ARG 75 -10.090 -17.015 -16.426 567 HD3 ARG 75 3HD ARG 75 -10.345 -16.954 -14.682 568 HE ARG 75 HE ARG 75 -12.092 -15.223 -16.170 569 HH11 ARG 75 1HH1 ARG 75 -11.613 -18.447 -14.947 570 HH12 ARG 75 2HH1 ARG 75 -13.302 -18.834 -14.935 571 HH21 ARG 75 1HH2 ARG 75 -14.319 -15.720 -16.158 572 HH22 ARG 75 2HH2 ARG 75 -14.840 -17.283 -15.625 573 H VAL 76 H VAL 76 -8.831 -15.703 -13.279 574 HA VAL 76 HA VAL 76 -7.902 -15.276 -10.577 575 HB VAL 76 HB VAL 76 -9.654 -16.956 -9.704 576 HG11 VAL 76 1HG1 VAL 76 -9.422 -14.425 -9.268 577 HG12 VAL 76 2HG1 VAL 76 -10.808 -14.267 -10.348 578 HG13 VAL 76 3HG1 VAL 76 -10.946 -15.214 -8.866 579 HG21 VAL 76 3HG2 VAL 76 -11.176 -15.857 -12.066 580 HG22 VAL 76 1HG2 VAL 76 -10.572 -17.508 -11.928 581 HG23 VAL 76 2HG2 VAL 76 -11.806 -16.924 -10.812 582 H LEU 77 H LEU 77 -7.174 -17.274 -9.555 583 HA LEU 77 HA LEU 77 -5.605 -18.855 -11.179 584 HB2 LEU 77 2HB LEU 77 -6.790 -19.608 -8.512 585 HB3 LEU 77 3HB LEU 77 -5.403 -20.381 -9.277 586 HG LEU 77 HG LEU 77 -5.585 -17.670 -8.006 587 HD11 LEU 77 1HD1 LEU 77 -3.379 -18.589 -7.048 588 HD12 LEU 77 2HD1 LEU 77 -3.948 -20.150 -7.636 589 HD13 LEU 77 3HD1 LEU 77 -4.900 -19.254 -6.452 590 HD21 LEU 77 3HD2 LEU 77 -3.524 -18.638 -9.980 591 HD22 LEU 77 1HD2 LEU 77 -3.286 -17.270 -8.893 592 HD23 LEU 77 2HD2 LEU 77 -4.557 -17.214 -10.115 593 H THR 78 H THR 78 -5.737 -21.205 -11.566 594 HA THR 78 HA THR 78 -8.502 -22.027 -12.176 595 HB THR 78 HB THR 78 -6.992 -21.545 -14.162 596 HG1 THR 78 HG1 THR 78 -8.498 -22.798 -14.956 597 HG21 THR 78 3HG2 THR 78 -5.160 -23.048 -12.797 598 HG22 THR 78 1HG2 THR 78 -5.087 -22.686 -14.521 599 HG23 THR 78 2HG2 THR 78 -5.784 -24.209 -13.969 600 H SER 79 H SER 79 -8.103 -24.630 -12.860 601 HA SER 79 HA SER 79 -7.761 -25.856 -10.289 602 HB2 SER 79 2HB SER 79 -8.473 -27.899 -11.366 603 HB3 SER 79 3HB SER 79 -9.483 -26.580 -11.957 604 HG SER 79 HG SER 79 -7.740 -28.190 -13.312 605 H ALA 80 H ALA 80 -5.401 -24.842 -10.544 606 HA ALA 80 HA ALA 80 -3.621 -27.017 -10.513 607 HB1 ALA 80 1HB ALA 80 -2.466 -25.523 -12.640 608 HB2 ALA 80 2HB ALA 80 -2.935 -27.224 -12.611 609 HB3 ALA 80 3HB ALA 80 -4.100 -25.996 -13.109 610 H GLU 81 H GLU 81 -4.015 -23.543 -10.969 611 HA GLU 81 HA GLU 81 -1.439 -22.907 -9.860 612 HB2 GLU 81 2HB GLU 81 -3.800 -21.081 -10.330 613 HB3 GLU 81 3HB GLU 81 -2.135 -20.590 -10.057 614 HG2 GLU 81 2HG GLU 81 -1.677 -22.058 -12.174 615 HG3 GLU 81 3HG GLU 81 -3.389 -21.774 -12.480 616 H THR 82 H THR 82 -4.805 -22.565 -8.761 617 HA THR 82 HA THR 82 -4.210 -21.528 -6.217 618 HB THR 82 HB THR 82 -6.604 -23.229 -6.343 619 HG1 THR 82 HG1 THR 82 -7.607 -22.093 -7.959 620 HG21 THR 82 3HG2 THR 82 -6.863 -20.322 -6.069 621 HG22 THR 82 1HG2 THR 82 -5.778 -21.064 -4.895 622 HG23 THR 82 2HG2 THR 82 -7.448 -21.616 -5.023 623 H LYS 83 H LYS 83 -4.532 -24.834 -7.395 624 HA LYS 83 HA LYS 83 -4.391 -26.058 -4.824 625 HB2 LYS 83 2HB LYS 83 -3.761 -27.269 -7.521 626 HB3 LYS 83 3HB LYS 83 -4.122 -28.146 -6.040 627 HG2 LYS 83 2HG LYS 83 -6.350 -26.729 -6.172 628 HG3 LYS 83 3HG LYS 83 -5.940 -26.706 -7.888 629 HD2 LYS 83 2HD LYS 83 -6.013 -29.058 -8.040 630 HD3 LYS 83 3HD LYS 83 -5.994 -29.250 -6.285 631 HE2 LYS 83 2HE LYS 83 -8.216 -28.468 -6.084 632 HE3 LYS 83 3HE LYS 83 -8.234 -27.868 -7.741 633 HZ1 LYS 83 3HZ LYS 83 -8.209 -30.703 -6.868 634 HZ2 LYS 83 1HZ LYS 83 -8.010 -30.212 -8.475 635 HZ3 LYS 83 2HZ LYS 83 -9.459 -29.890 -7.665 636 H ALA 84 H ALA 84 -2.028 -25.541 -7.427 637 HA ALA 84 HA ALA 84 0.143 -26.753 -6.065 638 HB1 ALA 84 1HB ALA 84 0.414 -24.635 -8.178 639 HB2 ALA 84 2HB ALA 84 1.503 -25.975 -7.817 640 HB3 ALA 84 3HB ALA 84 -0.067 -26.289 -8.557 641 H PHE 85 H PHE 85 -1.486 -23.885 -5.487 642 HA PHE 85 HA PHE 85 0.862 -22.593 -4.288 643 HB2 PHE 85 2HB PHE 85 -0.574 -21.278 -5.874 644 HB3 PHE 85 3HB PHE 85 -1.890 -21.416 -4.712 645 HD1 PHE 85 HD1 PHE 85 1.522 -20.076 -5.199 646 HD2 PHE 85 HD2 PHE 85 -2.044 -19.964 -2.877 647 HE1 PHE 85 HE1 PHE 85 2.346 -18.069 -4.037 648 HE2 PHE 85 HE2 PHE 85 -1.226 -17.957 -1.712 649 HZ PHE 85 HZ PHE 85 0.971 -17.006 -2.292 650 H LEU 86 H LEU 86 -2.492 -23.501 -3.554 651 HA LEU 86 HA LEU 86 -2.396 -22.780 -0.823 652 HB2 LEU 86 2HB LEU 86 -4.404 -23.332 -2.403 653 HB3 LEU 86 3HB LEU 86 -4.153 -24.977 -1.822 654 HG LEU 86 HG LEU 86 -4.471 -22.777 0.167 655 HD11 LEU 86 1HD1 LEU 86 -6.995 -24.000 -0.374 656 HD12 LEU 86 2HD1 LEU 86 -6.377 -23.256 -1.848 657 HD13 LEU 86 3HD1 LEU 86 -6.561 -22.291 -0.383 658 HD21 LEU 86 3HD2 LEU 86 -4.834 -24.455 1.616 659 HD22 LEU 86 1HD2 LEU 86 -4.046 -25.445 0.388 660 HD23 LEU 86 2HD2 LEU 86 -5.807 -25.376 0.467 661 H ALA 87 H ALA 87 -2.239 -25.990 -2.371 662 HA ALA 87 HA ALA 87 -1.626 -27.396 -0.004 663 HB1 ALA 87 1HB ALA 87 -0.989 -29.240 -1.499 664 HB2 ALA 87 2HB ALA 87 -2.536 -28.521 -1.949 665 HB3 ALA 87 3HB ALA 87 -1.085 -28.141 -2.875 666 H ALA 88 H ALA 88 0.257 -25.337 -1.934 667 HA ALA 88 HA ALA 88 2.785 -26.546 -1.098 668 HB1 ALA 88 1HB ALA 88 3.846 -24.980 -2.615 669 HB2 ALA 88 2HB ALA 88 2.545 -25.841 -3.440 670 HB3 ALA 88 3HB ALA 88 2.301 -24.179 -2.902 671 H GLY 89 H GLY 89 0.712 -23.833 -0.433 672 HA2 GLY 89 2HA GLY 89 2.774 -22.544 1.203 673 HA3 GLY 89 3HA GLY 89 1.217 -21.854 0.770 674 H ASP 90 H ASP 90 -0.662 -23.412 1.620 675 HA ASP 90 HA ASP 90 -0.819 -23.079 4.352 676 HB2 ASP 90 2HB ASP 90 -2.857 -23.463 3.269 677 HB3 ASP 90 3HB ASP 90 -2.260 -24.905 2.452 678 H THR 91 H THR 91 0.732 -23.819 5.684 679 HA THR 91 HA THR 91 1.278 -26.716 5.645 680 HB THR 91 HB THR 91 3.505 -26.040 6.752 681 HG1 THR 91 HG1 THR 91 3.455 -23.917 7.090 682 HG21 THR 91 3HG2 THR 91 4.426 -25.376 4.396 683 HG22 THR 91 1HG2 THR 91 2.782 -25.729 3.867 684 HG23 THR 91 2HG2 THR 91 3.743 -26.981 4.653 685 H ASP 92 H ASP 92 1.166 -23.811 7.685 686 HA ASP 92 HA ASP 92 0.788 -25.516 10.043 687 HB2 ASP 92 2HB ASP 92 2.521 -23.604 9.940 688 HB3 ASP 92 3HB ASP 92 1.136 -22.528 10.101 689 H GLY 93 H GLY 93 -1.296 -25.087 8.033 690 HA2 GLY 93 2HA GLY 93 -3.344 -24.016 9.852 691 HA3 GLY 93 3HA GLY 93 -3.273 -23.421 8.200 692 H ASP 94 H ASP 94 -5.527 -24.235 8.207 693 HA ASP 94 HA ASP 94 -5.565 -27.084 7.464 694 HB2 ASP 94 2HB ASP 94 -7.974 -25.768 8.672 695 HB3 ASP 94 3HB ASP 94 -7.559 -27.479 8.604 696 H GLY 95 H GLY 95 -5.140 -25.972 5.335 697 HA2 GLY 95 2HA GLY 95 -6.177 -25.905 3.216 698 HA3 GLY 95 3HA GLY 95 -7.712 -25.572 4.003 699 H LYS 96 H LYS 96 -6.025 -23.511 5.630 700 HA LYS 96 HA LYS 96 -6.325 -21.368 3.638 701 HB2 LYS 96 2HB LYS 96 -6.168 -20.947 6.612 702 HB3 LYS 96 3HB LYS 96 -6.836 -19.876 5.387 703 HG2 LYS 96 2HG LYS 96 -8.490 -21.912 5.034 704 HG3 LYS 96 3HG LYS 96 -8.043 -22.238 6.711 705 HD2 LYS 96 2HD LYS 96 -8.601 -19.802 7.174 706 HD3 LYS 96 3HD LYS 96 -9.339 -19.772 5.571 707 HE2 LYS 96 2HE LYS 96 -10.579 -21.910 6.451 708 HE3 LYS 96 3HE LYS 96 -10.184 -21.235 8.031 709 HZ1 LYS 96 3HZ LYS 96 -11.318 -19.202 7.419 710 HZ2 LYS 96 1HZ LYS 96 -12.366 -20.521 7.257 711 HZ3 LYS 96 2HZ LYS 96 -11.670 -19.819 5.884 712 H ILE 97 H ILE 97 -4.867 -19.408 4.186 713 HA ILE 97 HA ILE 97 -2.202 -20.279 5.045 714 HB ILE 97 HB ILE 97 -2.795 -18.851 2.452 715 HG12 ILE 97 2HG1 ILE 97 -1.508 -21.522 3.058 716 HG13 ILE 97 3HG1 ILE 97 -3.090 -21.271 2.329 717 HG21 ILE 97 1HG2 ILE 97 -0.359 -18.809 2.126 718 HG22 ILE 97 2HG2 ILE 97 -0.861 -17.849 3.516 719 HG23 ILE 97 3HG2 ILE 97 -0.142 -19.440 3.758 720 HD11 ILE 97 3HD1 ILE 97 -0.440 -20.518 1.121 721 HD12 ILE 97 1HD1 ILE 97 -1.453 -21.885 0.657 722 HD13 ILE 97 2HD1 ILE 97 -2.020 -20.236 0.390 723 H GLY 98 H GLY 98 -0.927 -18.688 5.963 724 HA2 GLY 98 2HA GLY 98 -2.253 -16.072 6.338 725 HA3 GLY 98 3HA GLY 98 -1.372 -16.891 7.620 726 H VAL 99 H VAL 99 0.607 -16.161 7.978 727 HA VAL 99 HA VAL 99 2.004 -14.780 5.782 728 HB VAL 99 HB VAL 99 3.320 -14.082 8.119 729 HG11 VAL 99 1HG1 VAL 99 2.720 -11.918 7.562 730 HG12 VAL 99 2HG1 VAL 99 2.524 -12.767 6.027 731 HG13 VAL 99 3HG1 VAL 99 1.112 -12.395 7.016 732 HG21 VAL 99 3HG2 VAL 99 1.539 -13.252 9.604 733 HG22 VAL 99 1HG2 VAL 99 0.342 -14.069 8.599 734 HG23 VAL 99 2HG2 VAL 99 1.542 -15.012 9.484 735 H GLU 100 H GLU 100 2.721 -16.621 8.756 736 HA GLU 100 HA GLU 100 5.366 -17.238 8.171 737 HB2 GLU 100 2HB GLU 100 3.367 -18.098 10.071 738 HB3 GLU 100 3HB GLU 100 4.338 -19.464 9.539 739 HG2 GLU 100 2HG GLU 100 6.303 -17.731 10.004 740 HG3 GLU 100 3HG GLU 100 5.104 -17.092 11.127 741 H GLU 101 H GLU 101 2.405 -18.700 7.036 742 HA GLU 101 HA GLU 101 3.770 -20.964 5.853 743 HB2 GLU 101 2HB GLU 101 0.910 -20.141 5.380 744 HB3 GLU 101 3HB GLU 101 1.620 -21.738 5.198 745 HG2 GLU 101 2HG GLU 101 1.869 -21.965 7.569 746 HG3 GLU 101 3HG GLU 101 1.353 -20.300 7.825 747 H PHE 102 H PHE 102 2.974 -17.768 4.982 748 HA PHE 102 HA PHE 102 2.849 -18.220 2.140 749 HB2 PHE 102 2HB PHE 102 1.629 -16.353 3.190 750 HB3 PHE 102 3HB PHE 102 3.159 -15.639 3.690 751 HD1 PHE 102 HD1 PHE 102 0.963 -16.361 0.845 752 HD2 PHE 102 HD2 PHE 102 4.561 -14.483 2.128 753 HE1 PHE 102 HE1 PHE 102 1.093 -15.156 -1.296 754 HE2 PHE 102 HE2 PHE 102 4.696 -13.274 -0.011 755 HZ PHE 102 HZ PHE 102 2.961 -13.609 -1.725 756 H GLN 103 H GLN 103 5.094 -16.285 4.128 757 HA GLN 103 HA GLN 103 7.071 -15.960 2.220 758 HB2 GLN 103 2HB GLN 103 8.618 -15.599 4.141 759 HB3 GLN 103 3HB GLN 103 7.121 -14.683 4.255 760 HG2 GLN 103 2HG GLN 103 6.233 -16.235 5.861 761 HG3 GLN 103 3HG GLN 103 7.636 -17.286 5.672 762 HE21 GLN 103 1HE2 GLN 103 7.438 -13.770 5.974 763 HE22 GLN 103 2HE2 GLN 103 8.394 -13.662 7.409 764 H SER 104 H SER 104 6.537 -18.633 4.450 765 HA SER 104 HA SER 104 8.939 -20.002 4.113 766 HB2 SER 104 2HB SER 104 7.357 -20.663 5.827 767 HB3 SER 104 3HB SER 104 6.156 -21.087 4.607 768 HG SER 104 HG SER 104 7.194 -22.953 5.281 769 H LEU 105 H LEU 105 6.345 -19.531 1.920 770 HA LEU 105 HA LEU 105 7.173 -21.754 0.216 771 HB2 LEU 105 2HB LEU 105 4.797 -21.458 0.529 772 HB3 LEU 105 3HB LEU 105 4.903 -19.783 -0.010 773 HG LEU 105 HG LEU 105 5.715 -21.965 -1.878 774 HD11 LEU 105 1HD1 LEU 105 3.707 -22.932 -1.641 775 HD12 LEU 105 2HD1 LEU 105 3.121 -21.545 -2.560 776 HD13 LEU 105 3HD1 LEU 105 3.023 -21.541 -0.799 777 HD21 LEU 105 3HD2 LEU 105 5.521 -19.198 -2.015 778 HD22 LEU 105 1HD2 LEU 105 4.105 -19.785 -2.887 779 HD23 LEU 105 2HD2 LEU 105 5.718 -20.312 -3.368 780 H VAL 106 H VAL 106 6.832 -18.221 0.090 781 HA VAL 106 HA VAL 106 7.784 -17.830 -2.507 782 HB VAL 106 HB VAL 106 7.874 -16.048 -0.079 783 HG11 VAL 106 1HG1 VAL 106 9.582 -15.052 -1.211 784 HG12 VAL 106 2HG1 VAL 106 9.042 -15.653 -2.780 785 HG13 VAL 106 3HG1 VAL 106 8.222 -14.284 -2.029 786 HG21 VAL 106 3HG2 VAL 106 6.001 -16.537 -2.302 787 HG22 VAL 106 1HG2 VAL 106 5.692 -15.994 -0.652 788 HG23 VAL 106 2HG2 VAL 106 6.253 -14.846 -1.868 789 H LYS 107 H LYS 107 9.605 -17.356 0.527 790 HA LYS 107 HA LYS 107 12.114 -17.063 -0.664 791 HB2 LYS 107 2HB LYS 107 13.014 -17.183 1.489 792 HB3 LYS 107 3HB LYS 107 11.378 -16.598 1.763 793 HG2 LYS 107 2HG LYS 107 10.680 -18.896 2.317 794 HG3 LYS 107 3HG LYS 107 12.353 -19.425 2.121 795 HD2 LYS 107 2HD LYS 107 12.267 -19.086 4.394 796 HD3 LYS 107 3HD LYS 107 12.835 -17.508 3.845 797 HE2 LYS 107 2HE LYS 107 10.749 -16.515 4.163 798 HE3 LYS 107 3HE LYS 107 9.908 -18.065 4.169 799 HZ1 LYS 107 3HZ LYS 107 10.602 -16.665 6.370 800 HZ2 LYS 107 1HZ LYS 107 11.858 -17.795 6.269 801 HZ3 LYS 107 2HZ LYS 107 10.252 -18.320 6.346 802 H ALA 108 H ALA 108 10.198 -19.859 -0.196 803 HA ALA 108 HA ALA 108 12.481 -21.662 -0.519 804 HB1 ALA 108 1HB ALA 108 10.688 -22.099 1.196 805 HB2 ALA 108 2HB ALA 108 9.598 -22.440 -0.148 806 HB3 ALA 108 3HB ALA 108 11.033 -23.435 0.096 Start of MODEL 19 1 H1 ALA 1 H ALA 1 -0.797 0.149 -2.722 2 HA ALA 1 HA ALA 1 1.399 0.684 -3.407 3 HB1 ALA 1 1HB ALA 1 1.814 0.787 -0.450 4 HB2 ALA 1 2HB ALA 1 2.259 1.963 -1.688 5 HB3 ALA 1 3HB ALA 1 0.572 1.789 -1.202 6 H ILE 2 H ILE 2 1.412 -2.002 -3.680 7 HA ILE 2 HA ILE 2 3.384 -3.270 -2.031 8 HB ILE 2 HB ILE 2 1.678 -4.636 -3.060 9 HG12 ILE 2 2HG1 ILE 2 3.082 -6.368 -4.071 10 HG13 ILE 2 3HG1 ILE 2 4.367 -5.195 -4.332 11 HG21 ILE 2 1HG2 ILE 2 0.936 -4.213 -5.106 12 HG22 ILE 2 2HG2 ILE 2 2.232 -3.043 -5.346 13 HG23 ILE 2 3HG2 ILE 2 2.483 -4.735 -5.773 14 HD11 ILE 2 3HD1 ILE 2 4.567 -4.907 -1.904 15 HD12 ILE 2 1HD1 ILE 2 3.321 -6.132 -1.672 16 HD13 ILE 2 2HD1 ILE 2 4.860 -6.569 -2.415 17 H THR 3 H THR 3 3.406 -1.438 -4.980 18 HA THR 3 HA THR 3 5.777 -2.262 -6.158 19 HB THR 3 HB THR 3 5.921 -0.016 -7.156 20 HG1 THR 3 HG1 THR 3 5.182 1.562 -5.961 21 HG21 THR 3 3HG2 THR 3 3.094 -0.194 -7.473 22 HG22 THR 3 1HG2 THR 3 3.747 -1.827 -7.349 23 HG23 THR 3 2HG2 THR 3 4.362 -0.723 -8.579 24 H ASP 4 H ASP 4 5.269 -0.418 -3.271 25 HA ASP 4 HA ASP 4 7.666 0.956 -3.027 26 HB2 ASP 4 2HB ASP 4 5.772 -0.232 -1.025 27 HB3 ASP 4 3HB ASP 4 7.274 0.514 -0.486 28 H ILE 5 H ILE 5 7.020 -2.433 -2.769 29 HA ILE 5 HA ILE 5 9.780 -2.895 -1.846 30 HB ILE 5 HB ILE 5 7.782 -5.099 -1.804 31 HG12 ILE 5 2HG1 ILE 5 7.858 -2.837 0.203 32 HG13 ILE 5 3HG1 ILE 5 6.503 -3.282 -0.829 33 HG21 ILE 5 1HG2 ILE 5 10.257 -5.236 -1.182 34 HG22 ILE 5 2HG2 ILE 5 9.810 -4.355 0.278 35 HG23 ILE 5 3HG2 ILE 5 9.095 -5.933 -0.053 36 HD11 ILE 5 3HD1 ILE 5 5.985 -4.124 1.290 37 HD12 ILE 5 1HD1 ILE 5 6.530 -5.520 0.362 38 HD13 ILE 5 2HD1 ILE 5 7.612 -4.760 1.530 39 H LEU 6 H LEU 6 7.278 -4.440 -3.870 40 HA LEU 6 HA LEU 6 9.294 -5.800 -5.432 41 HB2 LEU 6 2HB LEU 6 6.386 -5.913 -5.116 42 HB3 LEU 6 3HB LEU 6 6.940 -6.170 -6.769 43 HG LEU 6 HG LEU 6 8.278 -8.059 -6.066 44 HD11 LEU 6 1HD1 LEU 6 8.411 -6.882 -3.639 45 HD12 LEU 6 2HD1 LEU 6 8.803 -8.574 -3.942 46 HD13 LEU 6 3HD1 LEU 6 7.209 -8.135 -3.328 47 HD21 LEU 6 3HD2 LEU 6 5.701 -8.588 -4.684 48 HD22 LEU 6 1HD2 LEU 6 6.553 -9.542 -5.899 49 HD23 LEU 6 2HD2 LEU 6 5.652 -8.104 -6.380 50 H SER 7 H SER 7 8.694 -5.776 -7.950 51 HA SER 7 HA SER 7 8.674 -2.940 -8.754 52 HB2 SER 7 2HB SER 7 10.470 -5.168 -9.457 53 HB3 SER 7 3HB SER 7 9.932 -4.195 -10.825 54 HG SER 7 HG SER 7 11.195 -2.655 -10.175 55 H ALA 8 H ALA 8 7.080 -2.336 -10.056 56 HA ALA 8 HA ALA 8 5.063 -4.107 -10.913 57 HB1 ALA 8 1HB ALA 8 3.940 -2.217 -11.229 58 HB2 ALA 8 2HB ALA 8 5.393 -1.338 -10.754 59 HB3 ALA 8 3HB ALA 8 5.086 -1.678 -12.457 60 H LYS 9 H LYS 9 8.078 -3.253 -12.288 61 HA LYS 9 HA LYS 9 7.288 -4.103 -14.969 62 HB2 LYS 9 2HB LYS 9 8.896 -2.103 -14.281 63 HB3 LYS 9 3HB LYS 9 10.101 -3.383 -14.294 64 HG2 LYS 9 2HG LYS 9 9.742 -3.832 -16.584 65 HG3 LYS 9 3HG LYS 9 8.272 -2.854 -16.618 66 HD2 LYS 9 2HD LYS 9 9.430 -0.873 -16.657 67 HD3 LYS 9 3HD LYS 9 10.833 -1.552 -15.831 68 HE2 LYS 9 2HE LYS 9 11.304 -2.871 -17.907 69 HE3 LYS 9 3HE LYS 9 10.020 -1.962 -18.704 70 HZ1 LYS 9 3HZ LYS 9 11.225 0.000 -18.580 71 HZ2 LYS 9 1HZ LYS 9 12.412 -1.146 -18.955 72 HZ3 LYS 9 2HZ LYS 9 12.258 -0.575 -17.370 73 H ASP 10 H ASP 10 8.084 -5.631 -12.235 74 HA ASP 10 HA ASP 10 9.557 -7.756 -13.651 75 HB2 ASP 10 2HB ASP 10 9.720 -6.984 -10.730 76 HB3 ASP 10 3HB ASP 10 10.510 -8.387 -11.444 77 H ILE 11 H ILE 11 6.987 -6.944 -11.418 78 HA ILE 11 HA ILE 11 6.245 -9.516 -10.607 79 HB ILE 11 HB ILE 11 4.519 -7.070 -10.996 80 HG12 ILE 11 2HG1 ILE 11 5.387 -8.151 -8.346 81 HG13 ILE 11 3HG1 ILE 11 6.538 -7.219 -9.297 82 HG21 ILE 11 1HG2 ILE 11 3.928 -9.658 -9.568 83 HG22 ILE 11 2HG2 ILE 11 2.942 -8.201 -9.460 84 HG23 ILE 11 3HG2 ILE 11 3.119 -9.032 -11.005 85 HD11 ILE 11 3HD1 ILE 11 5.119 -6.000 -7.552 86 HD12 ILE 11 1HD1 ILE 11 5.267 -5.282 -9.156 87 HD13 ILE 11 2HD1 ILE 11 3.803 -6.160 -8.714 88 H GLU 12 H GLU 12 4.664 -7.524 -13.115 89 HA GLU 12 HA GLU 12 3.041 -9.538 -14.147 90 HB2 GLU 12 2HB GLU 12 4.204 -7.101 -15.502 91 HB3 GLU 12 3HB GLU 12 2.961 -8.121 -16.215 92 HG2 GLU 12 2HG GLU 12 1.376 -7.506 -14.593 93 HG3 GLU 12 3HG GLU 12 2.605 -6.797 -13.547 94 H SER 13 H SER 13 6.376 -8.709 -14.853 95 HA SER 13 HA SER 13 6.577 -10.472 -17.113 96 HB2 SER 13 2HB SER 13 8.612 -8.932 -15.501 97 HB3 SER 13 3HB SER 13 9.070 -10.006 -16.823 98 HG SER 13 HG SER 13 8.838 -7.967 -17.669 99 H ALA 14 H ALA 14 6.320 -11.037 -13.879 100 HA ALA 14 HA ALA 14 8.014 -13.443 -13.974 101 HB1 ALA 14 1HB ALA 14 8.078 -13.411 -11.590 102 HB2 ALA 14 2HB ALA 14 8.449 -11.782 -12.155 103 HB3 ALA 14 3HB ALA 14 6.847 -12.149 -11.517 104 H LEU 15 H LEU 15 4.781 -12.313 -13.873 105 HA LEU 15 HA LEU 15 3.558 -14.581 -12.679 106 HB2 LEU 15 2HB LEU 15 2.644 -12.236 -14.255 107 HB3 LEU 15 3HB LEU 15 1.560 -13.621 -14.138 108 HG LEU 15 HG LEU 15 2.664 -12.053 -11.808 109 HD11 LEU 15 1HD1 LEU 15 1.081 -10.596 -12.446 110 HD12 LEU 15 2HD1 LEU 15 -0.028 -11.767 -11.735 111 HD13 LEU 15 3HD1 LEU 15 0.264 -11.773 -13.474 112 HD21 LEU 15 3HD2 LEU 15 1.157 -14.582 -12.041 113 HD22 LEU 15 1HD2 LEU 15 0.597 -13.443 -10.817 114 HD23 LEU 15 2HD2 LEU 15 2.261 -14.027 -10.782 115 H SER 16 H SER 16 3.816 -13.555 -16.085 116 HA SER 16 HA SER 16 3.064 -16.250 -16.929 117 HB2 SER 16 2HB SER 16 2.604 -13.651 -17.976 118 HB3 SER 16 3HB SER 16 3.600 -14.517 -19.146 119 HG SER 16 HG SER 16 1.171 -14.744 -19.196 120 H SER 17 H SER 17 5.683 -15.605 -15.724 121 HA SER 17 HA SER 17 7.536 -15.934 -17.952 122 HB2 SER 17 2HB SER 17 8.770 -14.640 -16.585 123 HB3 SER 17 3HB SER 17 7.716 -14.963 -15.209 124 HG SER 17 HG SER 17 9.232 -16.217 -14.502 125 H CYS 18 H CYS 18 6.628 -17.624 -14.958 126 HA CYS 18 HA CYS 18 8.082 -19.995 -15.824 127 HB2 CYS 18 2HB CYS 18 6.463 -19.652 -13.298 128 HB3 CYS 18 3HB CYS 18 7.702 -20.858 -13.622 129 HG CYS 18 HG CYS 18 8.014 -17.843 -12.335 130 H GLN 19 H GLN 19 5.960 -19.366 -17.493 131 HA GLN 19 HA GLN 19 3.844 -21.263 -16.761 132 HB2 GLN 19 2HB GLN 19 3.980 -18.976 -18.702 133 HB3 GLN 19 3HB GLN 19 2.745 -20.217 -18.864 134 HG2 GLN 19 2HG GLN 19 3.180 -18.386 -16.519 135 HG3 GLN 19 3HG GLN 19 1.837 -18.361 -17.660 136 HE21 GLN 19 1HE2 GLN 19 2.938 -19.496 -14.709 137 HE22 GLN 19 2HE2 GLN 19 1.694 -20.653 -14.395 138 H ALA 20 H ALA 20 6.431 -20.708 -19.005 139 HA ALA 20 HA ALA 20 5.601 -22.719 -20.886 140 HB1 ALA 20 1HB ALA 20 7.323 -20.598 -21.006 141 HB2 ALA 20 2HB ALA 20 8.425 -21.974 -20.928 142 HB3 ALA 20 3HB ALA 20 7.208 -21.889 -22.202 143 H ALA 21 H ALA 21 7.613 -24.297 -21.470 144 HA ALA 21 HA ALA 21 7.834 -26.013 -19.131 145 HB1 ALA 21 1HB ALA 21 7.393 -27.506 -20.730 146 HB2 ALA 21 2HB ALA 21 7.845 -26.390 -22.018 147 HB3 ALA 21 3HB ALA 21 9.086 -27.332 -21.193 148 H ASP 22 H ASP 22 9.760 -23.822 -20.938 149 HA ASP 22 HA ASP 22 12.041 -24.403 -19.219 150 HB2 ASP 22 2HB ASP 22 12.107 -25.594 -21.597 151 HB3 ASP 22 3HB ASP 22 12.668 -24.004 -22.107 152 H SER 23 H SER 23 10.423 -22.280 -18.899 153 HA SER 23 HA SER 23 11.782 -20.019 -20.195 154 HB2 SER 23 2HB SER 23 9.330 -20.079 -20.447 155 HB3 SER 23 3HB SER 23 9.153 -20.070 -18.693 156 HG SER 23 HG SER 23 9.859 -18.011 -18.617 157 H PHE 24 H PHE 24 11.062 -21.498 -17.118 158 HA PHE 24 HA PHE 24 12.287 -19.291 -15.655 159 HB2 PHE 24 2HB PHE 24 10.212 -20.311 -14.777 160 HB3 PHE 24 3HB PHE 24 11.051 -21.851 -14.619 161 HD1 PHE 24 HD2 PHE 24 12.061 -18.370 -13.750 162 HD2 PHE 24 HD1 PHE 24 11.276 -22.323 -12.381 163 HE1 PHE 24 HE2 PHE 24 12.800 -17.730 -11.493 164 HE2 PHE 24 HE1 PHE 24 12.013 -21.689 -10.120 165 HZ PHE 24 HZ PHE 24 12.778 -19.391 -9.674 166 H ASN 25 H ASN 25 14.439 -19.514 -16.358 167 HA ASN 25 HA ASN 25 15.821 -21.906 -15.332 168 HB2 ASN 25 2HB ASN 25 17.421 -21.729 -17.078 169 HB3 ASN 25 3HB ASN 25 15.850 -21.533 -17.848 170 HD21 ASN 25 1HD2 ASN 25 18.472 -20.661 -18.743 171 HD22 ASN 25 2HD2 ASN 25 18.368 -18.948 -18.947 172 H TYR 26 H TYR 26 18.363 -21.191 -15.244 173 HA TYR 26 HA TYR 26 18.678 -19.755 -12.920 174 HB2 TYR 26 2HB TYR 26 21.085 -19.433 -13.716 175 HB3 TYR 26 3HB TYR 26 20.496 -21.089 -13.624 176 HD1 TYR 26 HD2 TYR 26 21.244 -18.310 -15.949 177 HD2 TYR 26 HD1 TYR 26 20.397 -22.461 -15.554 178 HE1 TYR 26 HE2 TYR 26 21.867 -18.656 -18.303 179 HE2 TYR 26 HE1 TYR 26 21.019 -22.818 -17.907 180 HH TYR 26 HH TYR 26 22.653 -21.445 -19.606 181 H LYS 27 H LYS 27 18.460 -18.579 -16.201 182 HA LYS 27 HA LYS 27 19.339 -15.917 -15.593 183 HB2 LYS 27 2HB LYS 27 18.145 -17.278 -17.973 184 HB3 LYS 27 3HB LYS 27 18.147 -15.520 -17.908 185 HG2 LYS 27 2HG LYS 27 20.695 -16.939 -17.354 186 HG3 LYS 27 3HG LYS 27 20.115 -16.878 -19.020 187 HD2 LYS 27 2HD LYS 27 19.795 -14.330 -18.489 188 HD3 LYS 27 3HD LYS 27 20.983 -14.656 -17.225 189 HE2 LYS 27 2HE LYS 27 22.289 -15.809 -19.184 190 HE3 LYS 27 3HE LYS 27 21.279 -14.774 -20.192 191 HZ1 LYS 27 3HZ LYS 27 22.844 -13.246 -19.834 192 HZ2 LYS 27 1HZ LYS 27 23.521 -14.086 -18.531 193 HZ3 LYS 27 2HZ LYS 27 22.184 -13.080 -18.286 194 H SER 28 H SER 28 16.191 -17.451 -16.182 195 HA SER 28 HA SER 28 14.620 -15.143 -15.928 196 HB2 SER 28 2HB SER 28 14.049 -17.640 -16.656 197 HB3 SER 28 3HB SER 28 13.530 -17.751 -14.974 198 HG SER 28 HG SER 28 12.690 -15.649 -16.666 199 H PHE 29 H PHE 29 15.915 -17.361 -13.534 200 HA PHE 29 HA PHE 29 14.403 -16.546 -11.322 201 HB2 PHE 29 2HB PHE 29 15.713 -18.544 -11.164 202 HB3 PHE 29 3HB PHE 29 17.199 -17.669 -11.520 203 HD1 PHE 29 HD1 PHE 29 18.195 -16.183 -9.831 204 HD2 PHE 29 HD2 PHE 29 14.808 -18.612 -8.967 205 HE1 PHE 29 HE1 PHE 29 18.587 -15.867 -7.423 206 HE2 PHE 29 HE2 PHE 29 15.194 -18.299 -6.558 207 HZ PHE 29 HZ PHE 29 17.085 -16.925 -5.782 208 H PHE 30 H PHE 30 16.991 -15.005 -12.999 209 HA PHE 30 HA PHE 30 17.659 -13.211 -10.834 210 HB2 PHE 30 2HB PHE 30 18.487 -13.176 -13.744 211 HB3 PHE 30 3HB PHE 30 19.159 -12.150 -12.481 212 HD1 PHE 30 HD2 PHE 30 19.280 -14.234 -10.296 213 HD2 PHE 30 HD1 PHE 30 20.425 -14.335 -14.394 214 HE1 PHE 30 HE2 PHE 30 20.953 -15.963 -9.782 215 HE2 PHE 30 HE1 PHE 30 22.100 -16.066 -13.887 216 HZ PHE 30 HZ PHE 30 22.366 -16.881 -11.578 217 H SER 31 H SER 31 15.774 -13.136 -13.802 218 HA SER 31 HA SER 31 15.092 -10.329 -13.373 219 HB2 SER 31 2HB SER 31 15.625 -11.549 -15.670 220 HB3 SER 31 3HB SER 31 13.904 -11.929 -15.598 221 HG SER 31 HG SER 31 15.096 -9.355 -15.526 222 H THR 32 H THR 32 14.163 -12.604 -11.651 223 HA THR 32 HA THR 32 11.378 -12.970 -12.141 224 HB THR 32 HB THR 32 12.592 -13.284 -9.416 225 HG1 THR 32 HG1 THR 32 13.688 -15.046 -10.039 226 HG21 THR 32 3HG2 THR 32 10.218 -14.177 -10.833 227 HG22 THR 32 1HG2 THR 32 10.559 -14.164 -9.103 228 HG23 THR 32 2HG2 THR 32 11.098 -15.517 -10.099 229 H VAL 33 H VAL 33 9.693 -12.316 -10.543 230 HA VAL 33 HA VAL 33 9.318 -9.611 -10.426 231 HB VAL 33 HB VAL 33 7.464 -11.035 -9.985 232 HG11 VAL 33 1HG1 VAL 33 7.284 -12.451 -8.016 233 HG12 VAL 33 2HG1 VAL 33 8.710 -12.885 -8.960 234 HG13 VAL 33 3HG1 VAL 33 8.884 -11.939 -7.481 235 HG21 VAL 33 3HG2 VAL 33 7.663 -8.781 -8.775 236 HG22 VAL 33 1HG2 VAL 33 6.431 -9.912 -8.213 237 HG23 VAL 33 2HG2 VAL 33 7.942 -9.738 -7.320 238 H GLY 34 H GLY 34 10.891 -11.661 -8.011 239 HA2 GLY 34 2HA GLY 34 12.810 -10.581 -6.865 240 HA3 GLY 34 3HA GLY 34 11.754 -9.197 -6.624 241 H LEU 35 H LEU 35 9.415 -10.735 -5.942 242 HA LEU 35 HA LEU 35 9.601 -10.828 -3.199 243 HB2 LEU 35 2HB LEU 35 7.649 -11.360 -5.114 244 HB3 LEU 35 3HB LEU 35 7.765 -12.842 -4.167 245 HG LEU 35 HG LEU 35 7.008 -10.087 -3.227 246 HD11 LEU 35 1HD1 LEU 35 5.641 -12.675 -3.654 247 HD12 LEU 35 2HD1 LEU 35 5.042 -11.027 -3.841 248 HD13 LEU 35 3HD1 LEU 35 5.168 -11.742 -2.234 249 HD21 LEU 35 3HD2 LEU 35 6.821 -11.282 -0.964 250 HD22 LEU 35 1HD2 LEU 35 8.422 -10.774 -1.503 251 HD23 LEU 35 2HD2 LEU 35 7.938 -12.463 -1.650 252 H SER 36 H SER 36 9.671 -13.649 -5.383 253 HA SER 36 HA SER 36 10.271 -15.540 -3.398 254 HB2 SER 36 2HB SER 36 10.822 -15.575 -6.373 255 HB3 SER 36 3HB SER 36 11.026 -16.971 -5.315 256 HG SER 36 HG SER 36 8.742 -15.879 -6.353 257 H SER 37 H SER 37 12.206 -13.141 -4.847 258 HA SER 37 HA SER 37 14.668 -14.473 -3.936 259 HB2 SER 37 2HB SER 37 15.861 -13.398 -5.602 260 HB3 SER 37 3HB SER 37 14.302 -13.607 -6.401 261 HG SER 37 HG SER 37 15.189 -11.456 -6.553 262 H LYS 38 H LYS 38 12.711 -12.975 -2.294 263 HA LYS 38 HA LYS 38 14.366 -10.695 -1.452 264 HB2 LYS 38 2HB LYS 38 11.449 -11.340 -1.101 265 HB3 LYS 38 3HB LYS 38 12.246 -10.148 -0.082 266 HG2 LYS 38 2HG LYS 38 12.931 -9.526 -2.741 267 HG3 LYS 38 3HG LYS 38 11.196 -9.852 -2.717 268 HD2 LYS 38 2HD LYS 38 10.775 -8.148 -1.180 269 HD3 LYS 38 3HD LYS 38 12.459 -8.077 -0.656 270 HE2 LYS 38 2HE LYS 38 12.372 -6.209 -1.971 271 HE3 LYS 38 3HE LYS 38 12.858 -7.405 -3.172 272 HZ1 LYS 38 3HZ LYS 38 11.069 -6.029 -4.004 273 HZ2 LYS 38 1HZ LYS 38 10.087 -6.449 -2.692 274 HZ3 LYS 38 2HZ LYS 38 10.533 -7.623 -3.825 275 H THR 39 H THR 39 14.078 -10.283 1.031 276 HA THR 39 HA THR 39 15.112 -12.651 2.342 277 HB THR 39 HB THR 39 15.556 -9.899 2.640 278 HG1 THR 39 HG1 THR 39 17.071 -10.686 4.213 279 HG21 THR 39 3HG2 THR 39 15.095 -9.437 4.960 280 HG22 THR 39 1HG2 THR 39 14.415 -11.047 5.189 281 HG23 THR 39 2HG2 THR 39 13.586 -9.877 4.162 282 HA PRO 40 HA PRO 40 11.489 -13.850 4.514 283 HB2 PRO 40 2HB PRO 40 12.530 -14.695 6.875 284 HB3 PRO 40 3HB PRO 40 12.716 -15.596 5.366 285 HG2 PRO 40 2HG PRO 40 14.646 -13.752 6.721 286 HG3 PRO 40 3HG PRO 40 14.949 -15.320 5.951 287 HD2 PRO 40 2HD PRO 40 15.486 -12.967 4.724 288 HD3 PRO 40 3HD PRO 40 14.980 -14.416 3.831 289 H ASP 41 H ASP 41 11.051 -11.381 4.550 290 HA ASP 41 HA ASP 41 10.132 -10.716 7.153 291 HB2 ASP 41 2HB ASP 41 12.687 -10.118 7.083 292 HB3 ASP 41 3HB ASP 41 12.136 -8.724 6.158 293 H GLN 42 H GLN 42 11.013 -9.462 3.959 294 HA GLN 42 HA GLN 42 8.917 -7.482 4.003 295 HB2 GLN 42 2HB GLN 42 10.644 -8.397 1.697 296 HB3 GLN 42 3HB GLN 42 9.647 -6.949 1.738 297 HG2 GLN 42 2HG GLN 42 12.200 -7.522 3.178 298 HG3 GLN 42 3HG GLN 42 11.782 -6.155 2.147 299 HE21 GLN 42 1HE2 GLN 42 10.204 -4.630 2.983 300 HE22 GLN 42 2HE2 GLN 42 10.131 -4.343 4.685 301 H ILE 43 H ILE 43 9.349 -10.730 2.840 302 HA ILE 43 HA ILE 43 7.346 -10.893 0.918 303 HB ILE 43 HB ILE 43 8.140 -13.042 2.887 304 HG12 ILE 43 2HG1 ILE 43 9.195 -12.505 0.103 305 HG13 ILE 43 3HG1 ILE 43 10.033 -12.063 1.587 306 HG21 ILE 43 1HG2 ILE 43 7.477 -14.306 0.575 307 HG22 ILE 43 2HG2 ILE 43 6.394 -14.095 1.950 308 HG23 ILE 43 3HG2 ILE 43 6.320 -12.975 0.590 309 HD11 ILE 43 3HD1 ILE 43 10.477 -14.335 0.243 310 HD12 ILE 43 1HD1 ILE 43 10.711 -14.169 1.983 311 HD13 ILE 43 2HD1 ILE 43 9.225 -14.883 1.357 312 H LYS 44 H LYS 44 7.111 -11.578 4.407 313 HA LYS 44 HA LYS 44 4.412 -12.208 4.514 314 HB2 LYS 44 2HB LYS 44 4.574 -11.318 6.910 315 HB3 LYS 44 3HB LYS 44 5.661 -12.625 6.460 316 HG2 LYS 44 2HG LYS 44 7.514 -11.184 6.336 317 HG3 LYS 44 3HG LYS 44 6.494 -9.744 6.349 318 HD2 LYS 44 2HD LYS 44 7.508 -9.995 8.516 319 HD3 LYS 44 3HD LYS 44 5.781 -10.336 8.655 320 HE2 LYS 44 2HE LYS 44 6.898 -12.004 9.910 321 HE3 LYS 44 3HE LYS 44 6.364 -12.777 8.418 322 HZ1 LYS 44 3HZ LYS 44 8.527 -12.774 7.566 323 HZ2 LYS 44 1HZ LYS 44 8.716 -13.248 9.178 324 HZ3 LYS 44 2HZ LYS 44 9.089 -11.666 8.714 325 H LYS 45 H LYS 45 5.989 -9.080 4.399 326 HA LYS 45 HA LYS 45 3.706 -7.527 5.062 327 HB2 LYS 45 2HB LYS 45 6.196 -6.781 3.518 328 HB3 LYS 45 3HB LYS 45 5.003 -5.636 4.117 329 HG2 LYS 45 2HG LYS 45 6.790 -7.418 5.755 330 HG3 LYS 45 3HG LYS 45 6.872 -5.661 5.609 331 HD2 LYS 45 2HD LYS 45 4.598 -7.238 6.816 332 HD3 LYS 45 3HD LYS 45 5.814 -6.322 7.709 333 HE2 LYS 45 2HE LYS 45 3.851 -5.167 5.731 334 HE3 LYS 45 3HE LYS 45 3.697 -5.092 7.485 335 HZ1 LYS 45 3HZ LYS 45 4.613 -3.049 6.788 336 HZ2 LYS 45 1HZ LYS 45 5.757 -3.799 5.792 337 HZ3 LYS 45 2HZ LYS 45 5.894 -3.915 7.474 338 H VAL 46 H VAL 46 4.739 -9.120 2.193 339 HA VAL 46 HA VAL 46 3.086 -7.520 0.428 340 HB VAL 46 HB VAL 46 4.628 -10.061 -0.118 341 HG11 VAL 46 1HG1 VAL 46 3.171 -8.171 -1.956 342 HG12 VAL 46 2HG1 VAL 46 4.343 -9.369 -2.509 343 HG13 VAL 46 3HG1 VAL 46 2.859 -9.889 -1.709 344 HG21 VAL 46 3HG2 VAL 46 6.222 -8.413 0.361 345 HG22 VAL 46 1HG2 VAL 46 6.093 -8.396 -1.398 346 HG23 VAL 46 2HG2 VAL 46 5.289 -7.150 -0.443 347 H PHE 47 H PHE 47 2.788 -10.350 2.351 348 HA PHE 47 HA PHE 47 0.611 -11.502 0.860 349 HB2 PHE 47 2HB PHE 47 1.542 -13.231 1.991 350 HB3 PHE 47 3HB PHE 47 2.169 -12.188 3.264 351 HD1 PHE 47 HD2 PHE 47 -0.881 -13.896 2.052 352 HD2 PHE 47 HD1 PHE 47 1.075 -12.009 5.327 353 HE1 PHE 47 HE2 PHE 47 -2.660 -14.679 3.560 354 HE2 PHE 47 HE1 PHE 47 -0.700 -12.789 6.841 355 HZ PHE 47 HZ PHE 47 -2.572 -14.125 5.958 356 H GLY 48 H GLY 48 0.991 -9.221 3.446 357 HA2 GLY 48 2HA GLY 48 -1.619 -9.405 4.542 358 HA3 GLY 48 3HA GLY 48 -0.523 -8.042 4.711 359 H ILE 49 H ILE 49 -0.583 -8.274 1.545 360 HA ILE 49 HA ILE 49 -2.713 -6.297 1.289 361 HB ILE 49 HB ILE 49 -0.873 -7.146 -0.929 362 HG12 ILE 49 2HG1 ILE 49 -0.299 -5.101 1.227 363 HG13 ILE 49 3HG1 ILE 49 0.540 -6.633 1.010 364 HG21 ILE 49 1HG2 ILE 49 -1.685 -4.343 -0.554 365 HG22 ILE 49 2HG2 ILE 49 -1.609 -5.319 -2.020 366 HG23 ILE 49 3HG2 ILE 49 -2.988 -5.469 -0.931 367 HD11 ILE 49 3HD1 ILE 49 0.706 -5.303 -1.448 368 HD12 ILE 49 1HD1 ILE 49 1.048 -4.099 -0.206 369 HD13 ILE 49 2HD1 ILE 49 1.995 -5.585 -0.278 370 H LEU 50 H LEU 50 -2.219 -9.601 0.759 371 HA LEU 50 HA LEU 50 -4.059 -9.854 -1.456 372 HB2 LEU 50 2HB LEU 50 -3.271 -12.193 0.193 373 HB3 LEU 50 3HB LEU 50 -3.456 -12.055 -1.554 374 HG LEU 50 HG LEU 50 -1.127 -11.034 0.071 375 HD11 LEU 50 1HD1 LEU 50 -1.418 -13.381 -1.796 376 HD12 LEU 50 2HD1 LEU 50 -1.079 -13.428 -0.066 377 HD13 LEU 50 3HD1 LEU 50 0.121 -12.775 -1.181 378 HD21 LEU 50 3HD2 LEU 50 -0.663 -11.190 -2.748 379 HD22 LEU 50 1HD2 LEU 50 -0.541 -9.796 -1.673 380 HD23 LEU 50 2HD2 LEU 50 -2.082 -10.189 -2.438 381 H ASP 51 H ASP 51 -4.034 -10.829 1.969 382 HA ASP 51 HA ASP 51 -6.469 -11.991 2.244 383 HB2 ASP 51 2HB ASP 51 -5.348 -9.947 4.172 384 HB3 ASP 51 3HB ASP 51 -6.500 -11.224 4.552 385 H GLN 52 H GLN 52 -8.569 -11.244 2.899 386 HA GLN 52 HA GLN 52 -9.337 -8.827 1.476 387 HB2 GLN 52 2HB GLN 52 -11.646 -9.602 1.869 388 HB3 GLN 52 3HB GLN 52 -10.657 -10.827 1.086 389 HG2 GLN 52 2HG GLN 52 -10.310 -11.858 3.340 390 HG3 GLN 52 3HG GLN 52 -11.511 -10.729 3.965 391 HE21 GLN 52 1HE2 GLN 52 -13.325 -10.707 1.900 392 HE22 GLN 52 2HE2 GLN 52 -14.060 -12.264 1.764 393 H ASP 53 H ASP 53 -9.589 -10.180 4.746 394 HA ASP 53 HA ASP 53 -10.013 -7.442 5.745 395 HB2 ASP 53 2HB ASP 53 -11.987 -9.212 5.833 396 HB3 ASP 53 3HB ASP 53 -11.120 -9.761 7.265 397 H LYS 54 H LYS 54 -7.655 -9.369 5.443 398 HA LYS 54 HA LYS 54 -5.861 -10.122 6.653 399 HB2 LYS 54 2HB LYS 54 -6.502 -7.504 8.016 400 HB3 LYS 54 3HB LYS 54 -5.019 -8.407 8.295 401 HG2 LYS 54 2HG LYS 54 -4.436 -6.787 6.724 402 HG3 LYS 54 3HG LYS 54 -4.654 -8.259 5.776 403 HD2 LYS 54 2HD LYS 54 -6.726 -7.539 4.935 404 HD3 LYS 54 3HD LYS 54 -6.882 -6.280 6.162 405 HE2 LYS 54 2HE LYS 54 -4.878 -6.338 3.907 406 HE3 LYS 54 3HE LYS 54 -6.316 -5.321 3.995 407 HZ1 LYS 54 3HZ LYS 54 -3.867 -5.171 5.647 408 HZ2 LYS 54 1HZ LYS 54 -5.310 -4.426 6.123 409 HZ3 LYS 54 2HZ LYS 54 -4.557 -3.967 4.680 410 H SER 55 H SER 55 -8.294 -11.278 7.517 411 HA SER 55 HA SER 55 -8.692 -11.197 10.290 412 HB2 SER 55 2HB SER 55 -9.192 -13.459 8.342 413 HB3 SER 55 3HB SER 55 -9.819 -13.392 9.989 414 HG SER 55 HG SER 55 -11.345 -12.631 8.468 415 H GLY 56 H GLY 56 -6.249 -12.715 8.380 416 HA2 GLY 56 2HA GLY 56 -4.216 -13.195 9.801 417 HA3 GLY 56 3HA GLY 56 -5.303 -14.191 10.757 418 H PHE 57 H PHE 57 -6.556 -14.752 7.920 419 HA PHE 57 HA PHE 57 -4.541 -16.506 6.796 420 HB2 PHE 57 2HB PHE 57 -7.120 -17.625 7.914 421 HB3 PHE 57 3HB PHE 57 -5.927 -18.528 6.987 422 HD1 PHE 57 HD1 PHE 57 -3.635 -18.857 7.953 423 HD2 PHE 57 HD2 PHE 57 -6.891 -17.328 10.228 424 HE1 PHE 57 HE1 PHE 57 -2.442 -19.417 10.031 425 HE2 PHE 57 HE2 PHE 57 -5.703 -17.884 12.309 426 HZ PHE 57 HZ PHE 57 -3.475 -18.929 12.213 427 H ILE 58 H ILE 58 -5.354 -17.613 4.814 428 HA ILE 58 HA ILE 58 -7.552 -16.118 3.549 429 HB ILE 58 HB ILE 58 -4.835 -16.726 2.404 430 HG12 ILE 58 2HG1 ILE 58 -6.442 -14.165 2.518 431 HG13 ILE 58 3HG1 ILE 58 -5.181 -14.603 3.666 432 HG21 ILE 58 1HG2 ILE 58 -6.179 -17.390 0.633 433 HG22 ILE 58 2HG2 ILE 58 -7.419 -16.189 0.994 434 HG23 ILE 58 3HG2 ILE 58 -5.885 -15.686 0.285 435 HD11 ILE 58 3HD1 ILE 58 -4.847 -14.085 0.724 436 HD12 ILE 58 1HD1 ILE 58 -4.288 -13.075 2.057 437 HD13 ILE 58 2HD1 ILE 58 -3.569 -14.664 1.791 438 H GLU 59 H GLU 59 -9.126 -17.490 3.070 439 HA GLU 59 HA GLU 59 -8.642 -20.312 2.786 440 HB2 GLU 59 2HB GLU 59 -11.236 -18.901 2.195 441 HB3 GLU 59 3HB GLU 59 -10.995 -20.564 2.713 442 HG2 GLU 59 2HG GLU 59 -11.554 -19.793 4.729 443 HG3 GLU 59 3HG GLU 59 -9.893 -19.205 4.784 444 H GLU 60 H GLU 60 -9.478 -21.551 0.924 445 HA GLU 60 HA GLU 60 -8.251 -20.891 -1.448 446 HB2 GLU 60 2HB GLU 60 -9.195 -23.138 -0.764 447 HB3 GLU 60 3HB GLU 60 -10.769 -22.545 -1.278 448 HG2 GLU 60 2HG GLU 60 -8.568 -22.302 -3.229 449 HG3 GLU 60 3HG GLU 60 -9.130 -23.933 -2.864 450 H GLU 61 H GLU 61 -11.309 -19.820 -0.227 451 HA GLU 61 HA GLU 61 -12.509 -19.020 -2.650 452 HB2 GLU 61 2HB GLU 61 -12.862 -17.950 0.155 453 HB3 GLU 61 3HB GLU 61 -13.895 -17.532 -1.205 454 HG2 GLU 61 2HG GLU 61 -13.509 -20.306 -0.104 455 HG3 GLU 61 3HG GLU 61 -14.879 -19.252 0.235 456 H GLU 62 H GLU 62 -10.537 -17.228 -0.297 457 HA GLU 62 HA GLU 62 -10.463 -14.909 -2.048 458 HB2 GLU 62 2HB GLU 62 -10.039 -15.412 0.763 459 HB3 GLU 62 3HB GLU 62 -8.680 -14.525 0.088 460 HG2 GLU 62 2HG GLU 62 -10.244 -12.945 0.922 461 HG3 GLU 62 3HG GLU 62 -10.298 -12.879 -0.838 462 H LEU 63 H LEU 63 -8.785 -17.763 -1.769 463 HA LEU 63 HA LEU 63 -6.133 -16.793 -2.279 464 HB2 LEU 63 2HB LEU 63 -6.851 -19.021 -1.208 465 HB3 LEU 63 3HB LEU 63 -7.093 -19.572 -2.864 466 HG LEU 63 HG LEU 63 -4.685 -19.024 -3.301 467 HD11 LEU 63 1HD1 LEU 63 -4.912 -17.956 -0.644 468 HD12 LEU 63 2HD1 LEU 63 -3.592 -17.809 -1.803 469 HD13 LEU 63 3HD1 LEU 63 -3.654 -19.190 -0.708 470 HD21 LEU 63 3HD2 LEU 63 -4.090 -21.134 -2.757 471 HD22 LEU 63 1HD2 LEU 63 -5.804 -21.282 -2.368 472 HD23 LEU 63 2HD2 LEU 63 -4.632 -20.973 -1.086 473 H GLN 64 H GLN 64 -8.898 -17.619 -4.188 474 HA GLN 64 HA GLN 64 -7.544 -18.062 -6.649 475 HB2 GLN 64 2HB GLN 64 -9.675 -18.100 -7.654 476 HB3 GLN 64 3HB GLN 64 -9.923 -18.753 -6.040 477 HG2 GLN 64 2HG GLN 64 -10.764 -16.587 -5.291 478 HG3 GLN 64 3HG GLN 64 -10.516 -15.933 -6.909 479 HE21 GLN 64 1HE2 GLN 64 -12.932 -15.585 -6.141 480 HE22 GLN 64 2HE2 GLN 64 -14.039 -16.740 -6.791 481 H LEU 65 H LEU 65 -7.775 -15.334 -4.826 482 HA LEU 65 HA LEU 65 -7.858 -13.522 -7.134 483 HB2 LEU 65 2HB LEU 65 -7.813 -12.693 -4.251 484 HB3 LEU 65 3HB LEU 65 -8.352 -11.768 -5.651 485 HG LEU 65 HG LEU 65 -9.805 -14.226 -4.713 486 HD11 LEU 65 1HD1 LEU 65 -11.305 -12.792 -3.465 487 HD12 LEU 65 2HD1 LEU 65 -10.333 -11.379 -3.873 488 HD13 LEU 65 3HD1 LEU 65 -9.663 -12.642 -2.841 489 HD21 LEU 65 3HD2 LEU 65 -11.119 -11.915 -6.014 490 HD22 LEU 65 1HD2 LEU 65 -11.424 -13.643 -6.188 491 HD23 LEU 65 2HD2 LEU 65 -10.055 -12.902 -7.017 492 H PHE 66 H PHE 66 -5.581 -15.285 -6.181 493 HA PHE 66 HA PHE 66 -3.554 -13.637 -5.109 494 HB2 PHE 66 2HB PHE 66 -3.397 -16.066 -5.009 495 HB3 PHE 66 3HB PHE 66 -3.345 -16.159 -6.766 496 HD1 PHE 66 HD1 PHE 66 -1.496 -15.004 -3.784 497 HD2 PHE 66 HD2 PHE 66 -1.322 -15.909 -7.939 498 HE1 PHE 66 HE1 PHE 66 0.959 -14.845 -3.712 499 HE2 PHE 66 HE2 PHE 66 1.133 -15.752 -7.874 500 HZ PHE 66 HZ PHE 66 2.276 -15.221 -5.759 501 H LEU 67 H LEU 67 -4.821 -14.021 -8.298 502 HA LEU 67 HA LEU 67 -2.530 -12.848 -9.614 503 HB2 LEU 67 2HB LEU 67 -5.224 -13.802 -10.492 504 HB3 LEU 67 3HB LEU 67 -4.253 -12.792 -11.561 505 HG LEU 67 HG LEU 67 -3.341 -15.435 -10.430 506 HD11 LEU 67 1HD1 LEU 67 -5.163 -14.863 -12.571 507 HD12 LEU 67 2HD1 LEU 67 -4.625 -16.420 -11.945 508 HD13 LEU 67 3HD1 LEU 67 -3.694 -15.607 -13.202 509 HD21 LEU 67 3HD2 LEU 67 -1.840 -15.050 -12.592 510 HD22 LEU 67 1HD2 LEU 67 -1.380 -14.441 -11.002 511 HD23 LEU 67 2HD2 LEU 67 -2.138 -13.362 -12.174 512 H LYS 68 H LYS 68 -4.751 -11.576 -7.644 513 HA LYS 68 HA LYS 68 -5.300 -9.166 -9.196 514 HB2 LYS 68 2HB LYS 68 -6.147 -9.880 -6.382 515 HB3 LYS 68 3HB LYS 68 -6.729 -8.515 -7.327 516 HG2 LYS 68 2HG LYS 68 -7.107 -11.396 -8.112 517 HG3 LYS 68 3HG LYS 68 -8.297 -10.437 -7.229 518 HD2 LYS 68 2HD LYS 68 -9.079 -10.015 -9.308 519 HD3 LYS 68 3HD LYS 68 -7.814 -8.784 -9.296 520 HE2 LYS 68 2HE LYS 68 -6.723 -11.318 -10.093 521 HE3 LYS 68 3HE LYS 68 -8.121 -10.922 -11.091 522 HZ1 LYS 68 3HZ LYS 68 -6.413 -8.669 -10.711 523 HZ2 LYS 68 1HZ LYS 68 -6.973 -9.363 -12.149 524 HZ3 LYS 68 2HZ LYS 68 -5.578 -9.965 -11.406 525 H ASN 69 H ASN 69 -3.084 -10.339 -6.876 526 HA ASN 69 HA ASN 69 -2.251 -7.613 -6.161 527 HB2 ASN 69 2HB ASN 69 -2.608 -9.866 -4.575 528 HB3 ASN 69 3HB ASN 69 -0.861 -9.768 -4.777 529 HD21 ASN 69 1HD2 ASN 69 -3.637 -7.670 -4.091 530 HD22 ASN 69 2HD2 ASN 69 -2.837 -6.718 -2.891 531 H PHE 70 H PHE 70 -1.641 -9.657 -8.529 532 HA PHE 70 HA PHE 70 1.190 -8.891 -8.680 533 HB2 PHE 70 2HB PHE 70 0.031 -11.619 -9.266 534 HB3 PHE 70 3HB PHE 70 1.636 -11.115 -9.783 535 HD1 PHE 70 HD2 PHE 70 -0.464 -11.384 -6.720 536 HD2 PHE 70 HD1 PHE 70 3.441 -11.514 -8.408 537 HE1 PHE 70 HE2 PHE 70 0.449 -12.081 -4.545 538 HE2 PHE 70 HE1 PHE 70 4.361 -12.212 -6.235 539 HZ PHE 70 HZ PHE 70 2.864 -12.495 -4.299 540 H SER 71 H SER 71 -1.684 -10.004 -10.416 541 HA SER 71 HA SER 71 -0.603 -9.067 -12.949 542 HB2 SER 71 2HB SER 71 -2.367 -11.106 -12.250 543 HB3 SER 71 3HB SER 71 -3.395 -9.888 -13.004 544 HG SER 71 HG SER 71 -2.334 -10.115 -14.867 545 H SER 72 H SER 72 -3.385 -8.390 -10.843 546 HA SER 72 HA SER 72 -4.631 -6.510 -10.534 547 HB2 SER 72 2HB SER 72 -2.196 -5.511 -10.666 548 HB3 SER 72 3HB SER 72 -2.765 -4.871 -12.208 549 HG SER 72 HG SER 72 -3.566 -4.249 -9.608 550 H SER 73 H SER 73 -4.478 -8.158 -13.188 551 HA SER 73 HA SER 73 -6.408 -6.458 -14.603 552 HB2 SER 73 2HB SER 73 -3.989 -6.521 -15.613 553 HB3 SER 73 3HB SER 73 -4.475 -8.116 -16.188 554 HG SER 73 HG SER 73 -4.895 -6.268 -17.627 555 H ALA 74 H ALA 74 -5.076 -9.672 -14.053 556 HA ALA 74 HA ALA 74 -6.907 -11.181 -15.521 557 HB1 ALA 74 1HB ALA 74 -5.261 -12.555 -14.827 558 HB2 ALA 74 2HB ALA 74 -5.040 -11.696 -13.301 559 HB3 ALA 74 3HB ALA 74 -6.361 -12.851 -13.480 560 H ARG 75 H ARG 75 -8.226 -12.927 -13.977 561 HA ARG 75 HA ARG 75 -10.176 -11.243 -12.549 562 HB2 ARG 75 2HB ARG 75 -11.565 -13.506 -13.086 563 HB3 ARG 75 3HB ARG 75 -11.546 -12.092 -14.132 564 HG2 ARG 75 2HG ARG 75 -10.076 -13.071 -15.641 565 HG3 ARG 75 3HG ARG 75 -9.528 -14.274 -14.472 566 HD2 ARG 75 2HD ARG 75 -10.992 -15.245 -16.191 567 HD3 ARG 75 3HD ARG 75 -11.674 -15.393 -14.572 568 HE ARG 75 HE ARG 75 -13.412 -14.051 -15.219 569 HH11 ARG 75 1HH1 ARG 75 -10.833 -13.782 -17.542 570 HH12 ARG 75 2HH1 ARG 75 -11.769 -12.855 -18.668 571 HH21 ARG 75 1HH2 ARG 75 -14.654 -12.832 -16.693 572 HH22 ARG 75 2HH2 ARG 75 -13.942 -12.315 -18.184 573 H VAL 76 H VAL 76 -9.177 -14.671 -12.635 574 HA VAL 76 HA VAL 76 -8.571 -14.672 -9.826 575 HB VAL 76 HB VAL 76 -10.237 -16.610 -9.430 576 HG11 VAL 76 1HG1 VAL 76 -10.237 -14.188 -8.527 577 HG12 VAL 76 2HG1 VAL 76 -11.559 -13.934 -9.668 578 HG13 VAL 76 3HG1 VAL 76 -11.711 -15.146 -8.395 579 HG21 VAL 76 3HG2 VAL 76 -11.734 -15.169 -11.613 580 HG22 VAL 76 1HG2 VAL 76 -10.905 -16.709 -11.843 581 HG23 VAL 76 2HG2 VAL 76 -12.252 -16.593 -10.710 582 H LEU 77 H LEU 77 -8.186 -17.056 -9.100 583 HA LEU 77 HA LEU 77 -6.294 -18.165 -10.939 584 HB2 LEU 77 2HB LEU 77 -7.300 -19.209 -8.296 585 HB3 LEU 77 3HB LEU 77 -5.923 -19.851 -9.189 586 HG LEU 77 HG LEU 77 -6.153 -17.204 -7.777 587 HD11 LEU 77 1HD1 LEU 77 -3.984 -18.111 -6.782 588 HD12 LEU 77 2HD1 LEU 77 -4.465 -19.665 -7.464 589 HD13 LEU 77 3HD1 LEU 77 -5.493 -18.869 -6.272 590 HD21 LEU 77 3HD2 LEU 77 -4.166 -18.112 -9.840 591 HD22 LEU 77 1HD2 LEU 77 -3.777 -16.885 -8.633 592 HD23 LEU 77 2HD2 LEU 77 -5.086 -16.607 -9.783 593 H THR 78 H THR 78 -6.273 -20.526 -11.449 594 HA THR 78 HA THR 78 -8.996 -21.467 -12.078 595 HB THR 78 HB THR 78 -7.574 -20.753 -14.055 596 HG1 THR 78 HG1 THR 78 -8.195 -22.666 -15.238 597 HG21 THR 78 3HG2 THR 78 -5.522 -21.958 -12.948 598 HG22 THR 78 1HG2 THR 78 -5.702 -21.935 -14.702 599 HG23 THR 78 2HG2 THR 78 -6.162 -23.371 -13.787 600 H SER 79 H SER 79 -8.504 -23.982 -12.927 601 HA SER 79 HA SER 79 -7.991 -25.356 -10.464 602 HB2 SER 79 2HB SER 79 -8.442 -26.554 -13.205 603 HB3 SER 79 3HB SER 79 -8.643 -27.359 -11.649 604 HG SER 79 HG SER 79 -10.128 -25.081 -12.453 605 H ALA 80 H ALA 80 -5.699 -24.245 -10.672 606 HA ALA 80 HA ALA 80 -3.817 -26.312 -10.886 607 HB1 ALA 80 1HB ALA 80 -2.822 -24.593 -12.929 608 HB2 ALA 80 2HB ALA 80 -3.182 -26.318 -13.011 609 HB3 ALA 80 3HB ALA 80 -4.439 -25.136 -13.379 610 H GLU 81 H GLU 81 -4.391 -22.837 -11.058 611 HA GLU 81 HA GLU 81 -1.811 -22.165 -9.976 612 HB2 GLU 81 2HB GLU 81 -4.283 -20.460 -10.331 613 HB3 GLU 81 3HB GLU 81 -2.680 -19.863 -9.923 614 HG2 GLU 81 2HG GLU 81 -2.026 -21.125 -12.144 615 HG3 GLU 81 3HG GLU 81 -3.731 -20.868 -12.508 616 H THR 82 H THR 82 -5.157 -22.028 -8.770 617 HA THR 82 HA THR 82 -4.522 -21.170 -6.170 618 HB THR 82 HB THR 82 -6.867 -22.928 -6.351 619 HG1 THR 82 HG1 THR 82 -7.831 -21.973 -8.006 620 HG21 THR 82 3HG2 THR 82 -7.154 -20.036 -5.885 621 HG22 THR 82 1HG2 THR 82 -6.082 -20.872 -4.763 622 HG23 THR 82 2HG2 THR 82 -7.755 -21.401 -4.945 623 H LYS 83 H LYS 83 -4.775 -24.384 -7.592 624 HA LYS 83 HA LYS 83 -4.534 -25.798 -5.129 625 HB2 LYS 83 2HB LYS 83 -3.954 -26.749 -7.940 626 HB3 LYS 83 3HB LYS 83 -4.185 -27.774 -6.530 627 HG2 LYS 83 2HG LYS 83 -6.496 -26.588 -6.382 628 HG3 LYS 83 3HG LYS 83 -6.193 -26.201 -8.077 629 HD2 LYS 83 2HD LYS 83 -5.935 -28.557 -8.597 630 HD3 LYS 83 3HD LYS 83 -6.132 -28.978 -6.894 631 HE2 LYS 83 2HE LYS 83 -8.232 -27.508 -8.470 632 HE3 LYS 83 3HE LYS 83 -8.171 -29.267 -8.369 633 HZ1 LYS 83 3HZ LYS 83 -8.742 -29.253 -6.168 634 HZ2 LYS 83 1HZ LYS 83 -9.603 -27.897 -6.703 635 HZ3 LYS 83 2HZ LYS 83 -8.134 -27.699 -5.887 636 H ALA 84 H ALA 84 -2.246 -25.011 -7.732 637 HA ALA 84 HA ALA 84 -0.009 -26.241 -6.494 638 HB1 ALA 84 1HB ALA 84 0.158 -23.987 -8.473 639 HB2 ALA 84 2HB ALA 84 1.286 -25.321 -8.223 640 HB3 ALA 84 3HB ALA 84 -0.293 -25.625 -8.949 641 H PHE 85 H PHE 85 -1.717 -23.475 -5.700 642 HA PHE 85 HA PHE 85 0.615 -22.177 -4.475 643 HB2 PHE 85 2HB PHE 85 -0.897 -20.813 -5.939 644 HB3 PHE 85 3HB PHE 85 -2.186 -21.078 -4.769 645 HD1 PHE 85 HD1 PHE 85 1.168 -19.583 -5.212 646 HD2 PHE 85 HD2 PHE 85 -2.364 -19.753 -2.844 647 HE1 PHE 85 HE1 PHE 85 1.937 -17.628 -3.932 648 HE2 PHE 85 HE2 PHE 85 -1.601 -17.798 -1.560 649 HZ PHE 85 HZ PHE 85 0.551 -16.732 -2.103 650 H LEU 86 H LEU 86 -2.685 -23.252 -3.725 651 HA LEU 86 HA LEU 86 -2.504 -22.717 -0.943 652 HB2 LEU 86 2HB LEU 86 -4.560 -23.169 -2.528 653 HB3 LEU 86 3HB LEU 86 -4.310 -24.833 -2.006 654 HG LEU 86 HG LEU 86 -4.612 -22.638 0.010 655 HD11 LEU 86 1HD1 LEU 86 -7.068 -24.050 -0.431 656 HD12 LEU 86 2HD1 LEU 86 -6.559 -23.241 -1.913 657 HD13 LEU 86 3HD1 LEU 86 -6.760 -22.313 -0.427 658 HD21 LEU 86 3HD2 LEU 86 -4.780 -24.306 1.499 659 HD22 LEU 86 1HD2 LEU 86 -4.020 -25.283 0.242 660 HD23 LEU 86 2HD2 LEU 86 -5.774 -25.297 0.429 661 H ALA 87 H ALA 87 -2.379 -25.776 -2.771 662 HA ALA 87 HA ALA 87 -1.718 -27.386 -0.547 663 HB1 ALA 87 1HB ALA 87 -1.123 -29.092 -2.209 664 HB2 ALA 87 2HB ALA 87 -2.674 -28.333 -2.567 665 HB3 ALA 87 3HB ALA 87 -1.237 -27.878 -3.483 666 H ALA 88 H ALA 88 0.114 -25.147 -2.307 667 HA ALA 88 HA ALA 88 2.660 -26.418 -1.606 668 HB1 ALA 88 1HB ALA 88 3.688 -24.712 -3.034 669 HB2 ALA 88 2HB ALA 88 2.452 -25.629 -3.896 670 HB3 ALA 88 3HB ALA 88 2.099 -24.000 -3.320 671 H GLY 89 H GLY 89 0.601 -23.735 -0.785 672 HA2 GLY 89 2HA GLY 89 2.684 -22.516 0.872 673 HA3 GLY 89 3HA GLY 89 1.106 -21.827 0.518 674 H ASP 90 H ASP 90 -0.760 -23.281 1.391 675 HA ASP 90 HA ASP 90 -0.770 -23.166 4.138 676 HB2 ASP 90 2HB ASP 90 -2.866 -23.373 3.089 677 HB3 ASP 90 3HB ASP 90 -2.380 -24.818 2.205 678 H THR 91 H THR 91 0.777 -24.080 5.354 679 HA THR 91 HA THR 91 1.294 -26.959 4.984 680 HB THR 91 HB THR 91 3.408 -26.218 6.463 681 HG1 THR 91 HG1 THR 91 3.926 -24.159 6.206 682 HG21 THR 91 3HG2 THR 91 4.713 -26.222 4.432 683 HG22 THR 91 1HG2 THR 91 3.286 -25.838 3.469 684 HG23 THR 91 2HG2 THR 91 3.411 -27.401 4.276 685 H ASP 92 H ASP 92 0.966 -24.378 7.394 686 HA ASP 92 HA ASP 92 0.772 -26.307 9.554 687 HB2 ASP 92 2HB ASP 92 1.970 -24.201 9.934 688 HB3 ASP 92 3HB ASP 92 0.505 -23.293 9.574 689 H GLY 93 H GLY 93 -1.320 -24.224 7.662 690 HA2 GLY 93 2HA GLY 93 -3.627 -24.632 9.333 691 HA3 GLY 93 3HA GLY 93 -3.605 -23.865 7.752 692 H ASP 94 H ASP 94 -5.683 -25.156 7.694 693 HA ASP 94 HA ASP 94 -5.104 -27.816 6.570 694 HB2 ASP 94 2HB ASP 94 -7.457 -27.014 8.292 695 HB3 ASP 94 3HB ASP 94 -7.339 -28.542 7.424 696 H GLY 95 H GLY 95 -5.340 -25.226 5.245 697 HA2 GLY 95 2HA GLY 95 -6.528 -25.744 2.915 698 HA3 GLY 95 3HA GLY 95 -7.921 -25.318 3.899 699 H LYS 96 H LYS 96 -6.219 -23.387 5.445 700 HA LYS 96 HA LYS 96 -6.345 -21.211 3.474 701 HB2 LYS 96 2HB LYS 96 -6.243 -20.913 6.473 702 HB3 LYS 96 3HB LYS 96 -6.714 -19.705 5.284 703 HG2 LYS 96 2HG LYS 96 -8.744 -20.863 4.805 704 HG3 LYS 96 3HG LYS 96 -8.246 -22.246 5.782 705 HD2 LYS 96 2HD LYS 96 -8.071 -20.394 7.664 706 HD3 LYS 96 3HD LYS 96 -9.244 -19.574 6.630 707 HE2 LYS 96 2HE LYS 96 -9.572 -22.415 7.574 708 HE3 LYS 96 3HE LYS 96 -10.208 -21.026 8.454 709 HZ1 LYS 96 3HZ LYS 96 -10.870 -21.526 5.613 710 HZ2 LYS 96 1HZ LYS 96 -11.660 -20.507 6.709 711 HZ3 LYS 96 2HZ LYS 96 -11.779 -22.186 6.878 712 H ILE 97 H ILE 97 -4.787 -19.343 4.061 713 HA ILE 97 HA ILE 97 -2.170 -20.403 4.876 714 HB ILE 97 HB ILE 97 -2.706 -18.757 2.403 715 HG12 ILE 97 2HG1 ILE 97 -1.564 -21.531 2.799 716 HG13 ILE 97 3HG1 ILE 97 -3.131 -21.139 2.099 717 HG21 ILE 97 1HG2 ILE 97 -0.288 -18.782 2.051 718 HG22 ILE 97 2HG2 ILE 97 -0.710 -17.957 3.550 719 HG23 ILE 97 3HG2 ILE 97 -0.069 -19.599 3.598 720 HD11 ILE 97 3HD1 ILE 97 -0.463 -20.384 0.929 721 HD12 ILE 97 1HD1 ILE 97 -1.474 -21.730 0.404 722 HD13 ILE 97 2HD1 ILE 97 -2.046 -20.072 0.216 723 H GLY 98 H GLY 98 -0.808 -18.955 5.898 724 HA2 GLY 98 2HA GLY 98 -2.016 -16.330 6.522 725 HA3 GLY 98 3HA GLY 98 -1.090 -17.272 7.681 726 H VAL 99 H VAL 99 0.921 -16.611 7.989 727 HA VAL 99 HA VAL 99 2.249 -15.122 5.820 728 HB VAL 99 HB VAL 99 3.665 -14.561 8.136 729 HG11 VAL 99 1HG1 VAL 99 3.133 -12.377 7.665 730 HG12 VAL 99 2HG1 VAL 99 2.748 -13.147 6.125 731 HG13 VAL 99 3HG1 VAL 99 1.458 -12.757 7.264 732 HG21 VAL 99 3HG2 VAL 99 1.951 -13.774 9.724 733 HG22 VAL 99 1HG2 VAL 99 0.707 -14.532 8.730 734 HG23 VAL 99 2HG2 VAL 99 1.928 -15.526 9.525 735 H GLU 100 H GLU 100 3.026 -17.137 8.662 736 HA GLU 100 HA GLU 100 5.642 -17.763 7.954 737 HB2 GLU 100 2HB GLU 100 3.701 -18.676 9.883 738 HB3 GLU 100 3HB GLU 100 4.607 -20.039 9.240 739 HG2 GLU 100 2HG GLU 100 5.789 -17.568 10.488 740 HG3 GLU 100 3HG GLU 100 5.638 -19.148 11.255 741 H GLU 101 H GLU 101 2.630 -19.032 6.777 742 HA GLU 101 HA GLU 101 3.946 -21.245 5.410 743 HB2 GLU 101 2HB GLU 101 1.032 -20.446 5.368 744 HB3 GLU 101 3HB GLU 101 1.713 -21.955 4.776 745 HG2 GLU 101 2HG GLU 101 2.152 -22.742 6.925 746 HG3 GLU 101 3HG GLU 101 2.010 -21.137 7.640 747 H PHE 102 H PHE 102 3.189 -18.018 4.838 748 HA PHE 102 HA PHE 102 2.816 -18.306 1.972 749 HB2 PHE 102 2HB PHE 102 1.548 -16.587 3.199 750 HB3 PHE 102 3HB PHE 102 3.058 -15.815 3.673 751 HD1 PHE 102 HD2 PHE 102 4.394 -14.593 2.048 752 HD2 PHE 102 HD1 PHE 102 0.678 -16.369 0.973 753 HE1 PHE 102 HE2 PHE 102 4.348 -13.243 -0.008 754 HE2 PHE 102 HE1 PHE 102 0.626 -15.022 -1.086 755 HZ PHE 102 HZ PHE 102 2.462 -13.456 -1.578 756 H GLN 103 H GLN 103 5.145 -16.661 4.113 757 HA GLN 103 HA GLN 103 6.977 -16.024 2.064 758 HB2 GLN 103 2HB GLN 103 8.554 -15.550 3.880 759 HB3 GLN 103 3HB GLN 103 6.970 -14.862 4.214 760 HG2 GLN 103 2HG GLN 103 6.475 -16.556 5.801 761 HG3 GLN 103 3HG GLN 103 7.889 -17.496 5.328 762 HE21 GLN 103 1HE2 GLN 103 8.128 -17.342 7.743 763 HE22 GLN 103 2HE2 GLN 103 9.047 -16.012 8.353 764 H SER 104 H SER 104 6.527 -18.859 4.052 765 HA SER 104 HA SER 104 9.040 -20.068 3.560 766 HB2 SER 104 2HB SER 104 7.604 -20.781 5.413 767 HB3 SER 104 3HB SER 104 6.386 -21.344 4.269 768 HG SER 104 HG SER 104 8.851 -22.460 4.949 769 H LEU 105 H LEU 105 6.326 -19.574 1.584 770 HA LEU 105 HA LEU 105 7.036 -21.779 -0.211 771 HB2 LEU 105 2HB LEU 105 4.630 -21.187 0.554 772 HB3 LEU 105 3HB LEU 105 4.748 -19.898 -0.642 773 HG LEU 105 HG LEU 105 4.727 -22.869 -1.085 774 HD11 LEU 105 1HD1 LEU 105 2.731 -22.540 -2.103 775 HD12 LEU 105 2HD1 LEU 105 3.169 -20.938 -2.695 776 HD13 LEU 105 3HD1 LEU 105 2.685 -21.154 -1.013 777 HD21 LEU 105 3HD2 LEU 105 5.194 -22.391 -3.462 778 HD22 LEU 105 1HD2 LEU 105 6.564 -22.033 -2.410 779 HD23 LEU 105 2HD2 LEU 105 5.562 -20.720 -3.030 780 H VAL 106 H VAL 106 6.278 -18.299 -0.421 781 HA VAL 106 HA VAL 106 7.055 -17.837 -3.023 782 HB VAL 106 HB VAL 106 7.171 -16.073 -0.592 783 HG11 VAL 106 1HG1 VAL 106 8.871 -15.074 -1.797 784 HG12 VAL 106 2HG1 VAL 106 8.164 -15.509 -3.355 785 HG13 VAL 106 3HG1 VAL 106 7.448 -14.217 -2.390 786 HG21 VAL 106 3HG2 VAL 106 4.961 -16.340 -1.222 787 HG22 VAL 106 1HG2 VAL 106 5.417 -14.876 -2.093 788 HG23 VAL 106 2HG2 VAL 106 5.351 -16.421 -2.940 789 H LYS 107 H LYS 107 9.090 -17.574 -0.111 790 HA LYS 107 HA LYS 107 11.476 -17.050 -1.578 791 HB2 LYS 107 2HB LYS 107 12.553 -16.961 0.475 792 HB3 LYS 107 3HB LYS 107 10.903 -16.531 0.907 793 HG2 LYS 107 2HG LYS 107 10.582 -19.005 1.442 794 HG3 LYS 107 3HG LYS 107 12.341 -19.120 1.367 795 HD2 LYS 107 2HD LYS 107 10.926 -17.104 3.094 796 HD3 LYS 107 3HD LYS 107 11.316 -18.729 3.661 797 HE2 LYS 107 2HE LYS 107 13.634 -17.610 2.442 798 HE3 LYS 107 3HE LYS 107 12.982 -16.436 3.584 799 HZ1 LYS 107 3HZ LYS 107 13.742 -17.637 5.265 800 HZ2 LYS 107 1HZ LYS 107 14.508 -18.667 4.162 801 HZ3 LYS 107 2HZ LYS 107 12.951 -19.028 4.716 802 H ALA 108 H ALA 108 9.682 -19.836 -1.158 803 HA ALA 108 HA ALA 108 12.037 -21.559 -1.570 804 HB1 ALA 108 1HB ALA 108 10.503 -21.951 0.440 805 HB2 ALA 108 2HB ALA 108 9.334 -22.557 -0.734 806 HB3 ALA 108 3HB ALA 108 10.904 -23.342 -0.568 Start of MODEL 20 1 H1 ALA 1 H ALA 1 -0.192 -0.140 -1.271 2 HA ALA 1 HA ALA 1 1.461 -0.007 -3.648 3 HB1 ALA 1 1HB ALA 1 2.844 1.515 -2.399 4 HB2 ALA 1 2HB ALA 1 1.152 1.956 -2.169 5 HB3 ALA 1 3HB ALA 1 2.019 1.094 -0.898 6 H ILE 2 H ILE 2 2.647 -1.743 -4.125 7 HA ILE 2 HA ILE 2 4.041 -3.127 -1.928 8 HB ILE 2 HB ILE 2 2.397 -4.533 -3.141 9 HG12 ILE 2 2HG1 ILE 2 3.923 -6.427 -3.541 10 HG13 ILE 2 3HG1 ILE 2 5.291 -5.320 -3.555 11 HG21 ILE 2 1HG2 ILE 2 2.260 -4.591 -5.360 12 HG22 ILE 2 2HG2 ILE 2 3.424 -3.268 -5.394 13 HG23 ILE 2 3HG2 ILE 2 3.982 -4.936 -5.522 14 HD11 ILE 2 3HD1 ILE 2 4.247 -6.686 -1.374 15 HD12 ILE 2 1HD1 ILE 2 5.455 -5.401 -1.351 16 HD13 ILE 2 2HD1 ILE 2 3.747 -5.010 -1.148 17 H THR 3 H THR 3 4.378 -1.382 -4.866 18 HA THR 3 HA THR 3 6.810 -2.258 -5.857 19 HB THR 3 HB THR 3 7.107 -0.004 -6.798 20 HG1 THR 3 HG1 THR 3 6.101 1.677 -5.966 21 HG21 THR 3 3HG2 THR 3 4.310 -0.065 -7.335 22 HG22 THR 3 1HG2 THR 3 4.884 -1.725 -7.188 23 HG23 THR 3 2HG2 THR 3 5.637 -0.631 -8.348 24 H ASP 4 H ASP 4 6.128 -0.387 -3.010 25 HA ASP 4 HA ASP 4 8.629 0.796 -2.581 26 HB2 ASP 4 2HB ASP 4 6.378 -0.020 -0.772 27 HB3 ASP 4 3HB ASP 4 7.887 0.577 -0.086 28 H ILE 5 H ILE 5 7.642 -2.476 -2.388 29 HA ILE 5 HA ILE 5 10.161 -3.176 -1.023 30 HB ILE 5 HB ILE 5 7.944 -5.155 -1.168 31 HG12 ILE 5 2HG1 ILE 5 8.003 -2.821 0.757 32 HG13 ILE 5 3HG1 ILE 5 6.767 -3.146 -0.453 33 HG21 ILE 5 1HG2 ILE 5 10.116 -5.760 -0.234 34 HG22 ILE 5 2HG2 ILE 5 9.975 -4.461 0.950 35 HG23 ILE 5 3HG2 ILE 5 8.856 -5.823 0.998 36 HD11 ILE 5 3HD1 ILE 5 6.342 -5.317 0.776 37 HD12 ILE 5 1HD1 ILE 5 7.341 -4.657 2.071 38 HD13 ILE 5 2HD1 ILE 5 5.857 -3.831 1.593 39 H LEU 6 H LEU 6 7.840 -4.252 -3.491 40 HA LEU 6 HA LEU 6 9.888 -5.969 -4.673 41 HB2 LEU 6 2HB LEU 6 6.977 -5.901 -4.639 42 HB3 LEU 6 3HB LEU 6 7.636 -6.173 -6.251 43 HG LEU 6 HG LEU 6 8.697 -8.182 -5.578 44 HD11 LEU 6 1HD1 LEU 6 8.560 -6.981 -2.949 45 HD12 LEU 6 2HD1 LEU 6 9.617 -8.254 -3.556 46 HD13 LEU 6 3HD1 LEU 6 8.017 -8.659 -2.935 47 HD21 LEU 6 3HD2 LEU 6 6.001 -8.119 -4.228 48 HD22 LEU 6 1HD2 LEU 6 6.841 -9.538 -4.856 49 HD23 LEU 6 2HD2 LEU 6 6.255 -8.297 -5.965 50 H SER 7 H SER 7 9.371 -5.990 -7.286 51 HA SER 7 HA SER 7 9.835 -3.206 -8.139 52 HB2 SER 7 2HB SER 7 11.309 -5.686 -8.674 53 HB3 SER 7 3HB SER 7 10.940 -4.757 -10.127 54 HG SER 7 HG SER 7 12.391 -3.362 -9.550 55 H ALA 8 H ALA 8 8.378 -2.389 -9.479 56 HA ALA 8 HA ALA 8 6.163 -3.854 -10.420 57 HB1 ALA 8 1HB ALA 8 5.421 -1.762 -10.508 58 HB2 ALA 8 2HB ALA 8 7.062 -1.116 -10.464 59 HB3 ALA 8 3HB ALA 8 6.334 -1.568 -12.005 60 H LYS 9 H LYS 9 9.299 -3.261 -11.756 61 HA LYS 9 HA LYS 9 8.510 -4.047 -14.440 62 HB2 LYS 9 2HB LYS 9 10.425 -2.355 -13.571 63 HB3 LYS 9 3HB LYS 9 11.380 -3.823 -13.738 64 HG2 LYS 9 2HG LYS 9 11.594 -2.700 -15.783 65 HG3 LYS 9 3HG LYS 9 10.436 -3.998 -16.085 66 HD2 LYS 9 2HD LYS 9 9.311 -2.271 -17.061 67 HD3 LYS 9 3HD LYS 9 8.707 -2.102 -15.411 68 HE2 LYS 9 2HE LYS 9 9.341 0.066 -16.169 69 HE3 LYS 9 3HE LYS 9 10.549 -0.459 -14.998 70 HZ1 LYS 9 3HZ LYS 9 11.574 0.556 -16.935 71 HZ2 LYS 9 1HZ LYS 9 10.841 -0.581 -17.951 72 HZ3 LYS 9 2HZ LYS 9 12.002 -1.078 -16.826 73 H ASP 10 H ASP 10 9.135 -5.650 -11.641 74 HA ASP 10 HA ASP 10 10.336 -7.956 -13.023 75 HB2 ASP 10 2HB ASP 10 10.238 -7.387 -10.052 76 HB3 ASP 10 3HB ASP 10 11.047 -8.749 -10.823 77 H ILE 11 H ILE 11 7.682 -6.878 -11.001 78 HA ILE 11 HA ILE 11 6.537 -9.385 -10.447 79 HB ILE 11 HB ILE 11 5.226 -6.676 -10.692 80 HG12 ILE 11 2HG1 ILE 11 5.789 -8.175 -8.150 81 HG13 ILE 11 3HG1 ILE 11 7.046 -7.202 -8.907 82 HG21 ILE 11 1HG2 ILE 11 4.146 -9.317 -9.751 83 HG22 ILE 11 2HG2 ILE 11 3.439 -7.778 -9.263 84 HG23 ILE 11 3HG2 ILE 11 3.479 -8.228 -10.967 85 HD11 ILE 11 3HD1 ILE 11 5.842 -6.006 -7.136 86 HD12 ILE 11 1HD1 ILE 11 5.684 -5.224 -8.708 87 HD13 ILE 11 2HD1 ILE 11 4.348 -6.176 -8.058 88 H GLU 12 H GLU 12 5.853 -7.045 -13.039 89 HA GLU 12 HA GLU 12 3.930 -8.739 -14.310 90 HB2 GLU 12 2HB GLU 12 3.701 -7.049 -15.912 91 HB3 GLU 12 3HB GLU 12 4.115 -6.177 -14.443 92 HG2 GLU 12 2HG GLU 12 5.524 -5.145 -15.882 93 HG3 GLU 12 3HG GLU 12 6.565 -6.479 -15.387 94 H SER 13 H SER 13 7.359 -8.415 -14.424 95 HA SER 13 HA SER 13 7.586 -9.836 -16.956 96 HB2 SER 13 2HB SER 13 9.109 -7.887 -16.116 97 HB3 SER 13 3HB SER 13 9.922 -9.154 -15.197 98 HG SER 13 HG SER 13 10.968 -9.427 -17.006 99 H ALA 14 H ALA 14 6.787 -10.817 -14.036 100 HA ALA 14 HA ALA 14 8.396 -13.283 -14.185 101 HB1 ALA 14 1HB ALA 14 8.207 -13.510 -11.788 102 HB2 ALA 14 2HB ALA 14 8.890 -11.931 -12.180 103 HB3 ALA 14 3HB ALA 14 7.198 -12.065 -11.700 104 H LEU 15 H LEU 15 5.246 -11.861 -13.968 105 HA LEU 15 HA LEU 15 3.720 -14.030 -13.117 106 HB2 LEU 15 2HB LEU 15 3.217 -11.598 -14.733 107 HB3 LEU 15 3HB LEU 15 2.010 -12.880 -14.810 108 HG LEU 15 HG LEU 15 2.936 -11.674 -12.212 109 HD11 LEU 15 1HD1 LEU 15 1.874 -9.801 -12.757 110 HD12 LEU 15 2HD1 LEU 15 0.378 -10.735 -12.763 111 HD13 LEU 15 3HD1 LEU 15 1.276 -10.500 -14.262 112 HD21 LEU 15 3HD2 LEU 15 1.460 -13.932 -12.760 113 HD22 LEU 15 1HD2 LEU 15 0.227 -12.711 -12.447 114 HD23 LEU 15 2HD2 LEU 15 1.467 -13.042 -11.237 115 H SER 16 H SER 16 3.893 -12.960 -16.511 116 HA SER 16 HA SER 16 3.363 -15.697 -17.364 117 HB2 SER 16 2HB SER 16 2.678 -14.816 -19.414 118 HB3 SER 16 3HB SER 16 2.215 -13.543 -18.284 119 HG SER 16 HG SER 16 3.451 -12.280 -19.400 120 H SER 17 H SER 17 5.917 -15.173 -16.218 121 HA SER 17 HA SER 17 7.654 -15.567 -18.567 122 HB2 SER 17 2HB SER 17 8.127 -14.081 -16.003 123 HB3 SER 17 3HB SER 17 9.489 -14.785 -16.874 124 HG SER 17 HG SER 17 9.124 -12.649 -17.544 125 H CYS 18 H CYS 18 6.337 -16.959 -15.812 126 HA CYS 18 HA CYS 18 8.299 -19.146 -15.934 127 HB2 CYS 18 2HB CYS 18 6.999 -18.157 -13.390 128 HB3 CYS 18 3HB CYS 18 8.201 -19.434 -13.533 129 HG CYS 18 HG CYS 18 10.033 -17.772 -12.815 130 H GLN 19 H GLN 19 5.655 -18.749 -17.174 131 HA GLN 19 HA GLN 19 4.118 -20.862 -15.825 132 HB2 GLN 19 2HB GLN 19 3.167 -18.908 -17.925 133 HB3 GLN 19 3HB GLN 19 2.172 -20.045 -17.025 134 HG2 GLN 19 2HG GLN 19 3.769 -17.929 -15.633 135 HG3 GLN 19 3HG GLN 19 2.174 -17.592 -16.303 136 HE21 GLN 19 1HE2 GLN 19 3.926 -19.656 -14.054 137 HE22 GLN 19 2HE2 GLN 19 2.587 -19.963 -13.006 138 H ALA 20 H ALA 20 5.812 -20.020 -18.721 139 HA ALA 20 HA ALA 20 4.689 -22.070 -20.373 140 HB1 ALA 20 1HB ALA 20 6.074 -19.837 -20.923 141 HB2 ALA 20 2HB ALA 20 7.372 -21.028 -21.023 142 HB3 ALA 20 3HB ALA 20 5.940 -21.197 -22.038 143 H ALA 21 H ALA 21 6.776 -23.349 -21.536 144 HA ALA 21 HA ALA 21 7.633 -25.151 -19.398 145 HB1 ALA 21 1HB ALA 21 8.009 -26.787 -21.104 146 HB2 ALA 21 2HB ALA 21 6.434 -26.046 -21.390 147 HB3 ALA 21 3HB ALA 21 7.820 -25.578 -22.375 148 H ASP 22 H ASP 22 8.877 -22.837 -21.642 149 HA ASP 22 HA ASP 22 11.583 -23.353 -20.626 150 HB2 ASP 22 2HB ASP 22 12.445 -22.772 -22.938 151 HB3 ASP 22 3HB ASP 22 11.655 -24.339 -22.790 152 H SER 23 H SER 23 9.735 -21.428 -19.715 153 HA SER 23 HA SER 23 10.781 -18.908 -20.807 154 HB2 SER 23 2HB SER 23 8.289 -19.242 -20.695 155 HB3 SER 23 3HB SER 23 8.431 -19.272 -18.937 156 HG SER 23 HG SER 23 8.215 -17.161 -20.492 157 H PHE 24 H PHE 24 10.568 -20.858 -17.920 158 HA PHE 24 HA PHE 24 11.879 -18.791 -16.324 159 HB2 PHE 24 2HB PHE 24 10.043 -19.881 -15.220 160 HB3 PHE 24 3HB PHE 24 10.697 -21.473 -15.592 161 HD1 PHE 24 HD2 PHE 24 12.117 -18.370 -14.076 162 HD2 PHE 24 HD1 PHE 24 11.399 -22.549 -13.699 163 HE1 PHE 24 HE2 PHE 24 13.310 -18.378 -11.924 164 HE2 PHE 24 HE1 PHE 24 12.590 -22.563 -11.546 165 HZ PHE 24 HZ PHE 24 13.549 -20.476 -10.657 166 H ASN 25 H ASN 25 13.908 -18.860 -17.411 167 HA ASN 25 HA ASN 25 15.451 -21.332 -17.097 168 HB2 ASN 25 2HB ASN 25 16.889 -20.563 -18.774 169 HB3 ASN 25 3HB ASN 25 15.312 -19.988 -19.306 170 HD21 ASN 25 1HD2 ASN 25 14.755 -17.749 -18.510 171 HD22 ASN 25 2HD2 ASN 25 16.017 -16.571 -18.575 172 H TYR 26 H TYR 26 18.003 -20.381 -16.974 173 HA TYR 26 HA TYR 26 18.338 -19.842 -14.243 174 HB2 TYR 26 2HB TYR 26 20.722 -19.404 -14.849 175 HB3 TYR 26 3HB TYR 26 20.096 -20.921 -15.487 176 HD1 TYR 26 HD2 TYR 26 21.104 -17.487 -16.360 177 HD2 TYR 26 HD1 TYR 26 19.913 -21.292 -17.845 178 HE1 TYR 26 HE2 TYR 26 21.801 -16.816 -18.621 179 HE2 TYR 26 HE1 TYR 26 20.608 -20.632 -20.110 180 HH TYR 26 HH TYR 26 21.542 -19.058 -21.365 181 H LYS 27 H LYS 27 18.130 -17.730 -17.028 182 HA LYS 27 HA LYS 27 19.007 -15.377 -15.652 183 HB2 LYS 27 2HB LYS 27 17.852 -15.995 -18.327 184 HB3 LYS 27 3HB LYS 27 17.728 -14.339 -17.747 185 HG2 LYS 27 2HG LYS 27 20.386 -15.588 -17.513 186 HG3 LYS 27 3HG LYS 27 19.811 -15.277 -19.153 187 HD2 LYS 27 2HD LYS 27 19.214 -12.924 -18.183 188 HD3 LYS 27 3HD LYS 27 20.400 -13.350 -16.946 189 HE2 LYS 27 2HE LYS 27 20.961 -13.485 -19.902 190 HE3 LYS 27 3HE LYS 27 21.293 -12.061 -18.918 191 HZ1 LYS 27 3HZ LYS 27 22.555 -13.804 -17.462 192 HZ2 LYS 27 1HZ LYS 27 23.293 -13.126 -18.826 193 HZ3 LYS 27 2HZ LYS 27 22.619 -14.675 -18.910 194 H SER 28 H SER 28 15.884 -16.813 -16.445 195 HA SER 28 HA SER 28 14.230 -14.691 -15.698 196 HB2 SER 28 2HB SER 28 13.885 -17.647 -15.926 197 HB3 SER 28 3HB SER 28 12.632 -16.728 -15.092 198 HG SER 28 HG SER 28 12.920 -17.020 -17.676 199 H PHE 29 H PHE 29 15.973 -17.010 -13.780 200 HA PHE 29 HA PHE 29 14.526 -16.535 -11.354 201 HB2 PHE 29 2HB PHE 29 15.675 -18.649 -11.663 202 HB3 PHE 29 3HB PHE 29 17.216 -17.821 -11.858 203 HD1 PHE 29 HD1 PHE 29 18.308 -16.763 -9.930 204 HD2 PHE 29 HD2 PHE 29 14.745 -19.052 -9.509 205 HE1 PHE 29 HE1 PHE 29 18.707 -16.931 -7.508 206 HE2 PHE 29 HE2 PHE 29 15.137 -19.223 -7.086 207 HZ PHE 29 HZ PHE 29 17.120 -18.162 -6.082 208 H PHE 30 H PHE 30 17.328 -15.162 -12.917 209 HA PHE 30 HA PHE 30 18.287 -13.745 -10.629 210 HB2 PHE 30 2HB PHE 30 18.832 -13.398 -13.582 211 HB3 PHE 30 3HB PHE 30 19.660 -12.497 -12.317 212 HD1 PHE 30 HD2 PHE 30 20.048 -14.614 -10.293 213 HD2 PHE 30 HD1 PHE 30 20.506 -14.701 -14.524 214 HE1 PHE 30 HE2 PHE 30 21.692 -16.431 -10.074 215 HE2 PHE 30 HE1 PHE 30 22.150 -16.520 -14.311 216 HZ PHE 30 HZ PHE 30 22.746 -17.387 -12.084 217 H SER 31 H SER 31 16.147 -12.991 -13.318 218 HA SER 31 HA SER 31 15.754 -10.281 -12.270 219 HB2 SER 31 2HB SER 31 15.910 -11.315 -14.887 220 HB3 SER 31 3HB SER 31 14.231 -10.831 -14.655 221 HG SER 31 HG SER 31 15.552 -9.110 -15.417 222 H THR 32 H THR 32 14.672 -12.834 -11.113 223 HA THR 32 HA THR 32 11.982 -13.220 -11.562 224 HB THR 32 HB THR 32 13.408 -14.570 -10.007 225 HG1 THR 32 HG1 THR 32 11.017 -14.570 -10.030 226 HG21 THR 32 3HG2 THR 32 12.781 -13.118 -7.613 227 HG22 THR 32 1HG2 THR 32 13.713 -12.093 -8.703 228 HG23 THR 32 2HG2 THR 32 14.351 -13.660 -8.205 229 H VAL 33 H VAL 33 10.169 -12.621 -10.030 230 HA VAL 33 HA VAL 33 9.592 -9.926 -10.180 231 HB VAL 33 HB VAL 33 7.796 -11.440 -9.823 232 HG11 VAL 33 1HG1 VAL 33 7.727 -12.404 -7.319 233 HG12 VAL 33 2HG1 VAL 33 8.428 -13.286 -8.678 234 HG13 VAL 33 3HG1 VAL 33 9.471 -12.381 -7.581 235 HG21 VAL 33 3HG2 VAL 33 7.896 -9.105 -8.591 236 HG22 VAL 33 1HG2 VAL 33 6.535 -10.204 -8.372 237 HG23 VAL 33 2HG2 VAL 33 7.809 -10.125 -7.155 238 H GLY 34 H GLY 34 11.497 -11.611 -7.837 239 HA2 GLY 34 2HA GLY 34 13.037 -10.515 -6.413 240 HA3 GLY 34 3HA GLY 34 12.053 -9.062 -6.508 241 H LEU 35 H LEU 35 10.850 -12.292 -5.792 242 HA LEU 35 HA LEU 35 10.257 -11.385 -3.051 243 HB2 LEU 35 2HB LEU 35 8.466 -12.135 -5.094 244 HB3 LEU 35 3HB LEU 35 8.464 -13.444 -3.914 245 HG LEU 35 HG LEU 35 7.788 -10.548 -3.416 246 HD11 LEU 35 1HD1 LEU 35 5.686 -11.996 -2.561 247 HD12 LEU 35 2HD1 LEU 35 6.244 -13.009 -3.892 248 HD13 LEU 35 3HD1 LEU 35 5.820 -11.323 -4.186 249 HD21 LEU 35 3HD2 LEU 35 7.273 -11.304 -1.112 250 HD22 LEU 35 1HD2 LEU 35 8.991 -11.377 -1.504 251 HD23 LEU 35 2HD2 LEU 35 8.027 -12.854 -1.487 252 H SER 36 H SER 36 10.815 -14.212 -5.121 253 HA SER 36 HA SER 36 11.068 -16.085 -3.025 254 HB2 SER 36 2HB SER 36 12.599 -16.486 -5.552 255 HB3 SER 36 3HB SER 36 11.580 -17.618 -4.663 256 HG SER 36 HG SER 36 10.644 -16.909 -6.653 257 H SER 37 H SER 37 13.186 -13.673 -4.237 258 HA SER 37 HA SER 37 15.440 -14.850 -2.751 259 HB2 SER 37 2HB SER 37 16.943 -13.809 -4.220 260 HB3 SER 37 3HB SER 37 15.640 -14.338 -5.284 261 HG SER 37 HG SER 37 16.474 -12.050 -5.417 262 H LYS 38 H LYS 38 13.384 -13.478 -1.406 263 HA LYS 38 HA LYS 38 14.689 -10.942 -0.670 264 HB2 LYS 38 2HB LYS 38 11.837 -11.817 -0.735 265 HB3 LYS 38 3HB LYS 38 12.319 -10.646 0.485 266 HG2 LYS 38 2HG LYS 38 12.783 -10.305 -2.469 267 HG3 LYS 38 3HG LYS 38 11.411 -9.634 -1.586 268 HD2 LYS 38 2HD LYS 38 12.962 -8.376 -0.157 269 HD3 LYS 38 3HD LYS 38 14.324 -9.034 -1.067 270 HE2 LYS 38 2HE LYS 38 14.111 -7.442 -2.599 271 HE3 LYS 38 3HE LYS 38 12.434 -7.902 -2.887 272 HZ1 LYS 38 3HZ LYS 38 12.313 -6.535 -0.551 273 HZ2 LYS 38 1HZ LYS 38 11.952 -5.899 -2.077 274 HZ3 LYS 38 2HZ LYS 38 13.491 -5.678 -1.411 275 H THR 39 H THR 39 14.164 -10.346 1.711 276 HA THR 39 HA THR 39 15.221 -12.493 3.338 277 HB THR 39 HB THR 39 15.417 -9.696 3.410 278 HG1 THR 39 HG1 THR 39 17.164 -10.542 4.249 279 HG21 THR 39 3HG2 THR 39 14.697 -9.083 5.633 280 HG22 THR 39 1HG2 THR 39 14.109 -10.718 5.933 281 HG23 THR 39 2HG2 THR 39 13.313 -9.701 4.732 282 HA PRO 40 HA PRO 40 11.492 -13.807 5.247 283 HB2 PRO 40 2HB PRO 40 12.356 -14.391 7.754 284 HB3 PRO 40 3HB PRO 40 12.749 -15.385 6.346 285 HG2 PRO 40 2HG PRO 40 14.406 -13.302 7.716 286 HG3 PRO 40 3HG PRO 40 14.891 -14.895 7.108 287 HD2 PRO 40 2HD PRO 40 15.378 -12.606 5.746 288 HD3 PRO 40 3HD PRO 40 15.063 -14.152 4.933 289 H ASP 41 H ASP 41 10.822 -11.423 5.048 290 HA ASP 41 HA ASP 41 9.536 -10.635 7.405 291 HB2 ASP 41 2HB ASP 41 12.192 -9.903 7.498 292 HB3 ASP 41 3HB ASP 41 11.412 -8.447 6.887 293 H GLN 42 H GLN 42 10.806 -9.776 4.265 294 HA GLN 42 HA GLN 42 8.865 -7.656 3.884 295 HB2 GLN 42 2HB GLN 42 10.787 -8.851 1.883 296 HB3 GLN 42 3HB GLN 42 9.904 -7.340 1.716 297 HG2 GLN 42 2HG GLN 42 11.164 -6.332 3.480 298 HG3 GLN 42 3HG GLN 42 11.942 -7.867 3.863 299 HE21 GLN 42 1HE2 GLN 42 11.751 -5.235 1.588 300 HE22 GLN 42 2HE2 GLN 42 13.241 -5.565 0.777 301 H ILE 43 H ILE 43 9.338 -10.997 2.965 302 HA ILE 43 HA ILE 43 7.498 -11.209 0.884 303 HB ILE 43 HB ILE 43 8.150 -13.289 2.975 304 HG12 ILE 43 2HG1 ILE 43 9.344 -12.905 0.224 305 HG13 ILE 43 3HG1 ILE 43 10.103 -12.347 1.711 306 HG21 ILE 43 1HG2 ILE 43 7.594 -14.577 0.603 307 HG22 ILE 43 2HG2 ILE 43 6.519 -14.451 1.994 308 HG23 ILE 43 3HG2 ILE 43 6.383 -13.297 0.668 309 HD11 ILE 43 3HD1 ILE 43 10.829 -14.594 0.678 310 HD12 ILE 43 1HD1 ILE 43 10.579 -14.490 2.421 311 HD13 ILE 43 2HD1 ILE 43 9.342 -15.215 1.394 312 H LYS 44 H LYS 44 6.988 -11.783 4.363 313 HA LYS 44 HA LYS 44 4.284 -12.399 4.278 314 HB2 LYS 44 2HB LYS 44 4.251 -11.477 6.650 315 HB3 LYS 44 3HB LYS 44 5.416 -12.753 6.321 316 HG2 LYS 44 2HG LYS 44 7.199 -11.125 6.151 317 HG3 LYS 44 3HG LYS 44 6.047 -9.808 6.385 318 HD2 LYS 44 2HD LYS 44 5.816 -11.770 8.489 319 HD3 LYS 44 3HD LYS 44 7.474 -11.178 8.358 320 HE2 LYS 44 2HE LYS 44 6.147 -9.826 9.911 321 HE3 LYS 44 3HE LYS 44 6.687 -8.883 8.522 322 HZ1 LYS 44 3HZ LYS 44 4.587 -8.349 8.144 323 HZ2 LYS 44 1HZ LYS 44 4.063 -9.315 9.431 324 HZ3 LYS 44 2HZ LYS 44 4.207 -9.977 7.881 325 H LYS 45 H LYS 45 5.849 -9.230 4.544 326 HA LYS 45 HA LYS 45 3.532 -7.688 4.853 327 HB2 LYS 45 2HB LYS 45 6.342 -7.216 4.190 328 HB3 LYS 45 3HB LYS 45 5.251 -6.056 3.442 329 HG2 LYS 45 2HG LYS 45 5.126 -6.694 6.371 330 HG3 LYS 45 3HG LYS 45 6.211 -5.464 5.719 331 HD2 LYS 45 2HD LYS 45 4.511 -4.038 5.210 332 HD3 LYS 45 3HD LYS 45 3.371 -5.345 4.878 333 HE2 LYS 45 2HE LYS 45 2.712 -5.504 7.048 334 HE3 LYS 45 3HE LYS 45 4.294 -5.045 7.675 335 HZ1 LYS 45 3HZ LYS 45 3.850 -2.771 7.214 336 HZ2 LYS 45 1HZ LYS 45 2.508 -3.378 8.047 337 HZ3 LYS 45 2HZ LYS 45 2.428 -3.141 6.374 338 H VAL 46 H VAL 46 4.784 -9.336 2.119 339 HA VAL 46 HA VAL 46 3.349 -7.726 0.181 340 HB VAL 46 HB VAL 46 4.837 -10.328 -0.196 341 HG11 VAL 46 1HG1 VAL 46 3.573 -8.402 -2.124 342 HG12 VAL 46 2HG1 VAL 46 4.860 -9.507 -2.611 343 HG13 VAL 46 3HG1 VAL 46 3.336 -10.145 -1.993 344 HG21 VAL 46 3HG2 VAL 46 5.976 -8.005 0.513 345 HG22 VAL 46 1HG2 VAL 46 6.749 -9.172 -0.560 346 HG23 VAL 46 2HG2 VAL 46 5.907 -7.777 -1.235 347 H PHE 47 H PHE 47 2.744 -10.438 2.165 348 HA PHE 47 HA PHE 47 0.670 -11.548 0.477 349 HB2 PHE 47 2HB PHE 47 1.423 -13.335 1.635 350 HB3 PHE 47 3HB PHE 47 2.071 -12.337 2.932 351 HD1 PHE 47 HD2 PHE 47 -0.943 -14.020 1.663 352 HD2 PHE 47 HD1 PHE 47 0.838 -11.943 4.922 353 HE1 PHE 47 HE2 PHE 47 -2.808 -14.706 3.114 354 HE2 PHE 47 HE1 PHE 47 -1.024 -12.626 6.379 355 HZ PHE 47 HZ PHE 47 -2.850 -14.008 5.475 356 H GLY 48 H GLY 48 0.957 -9.346 3.151 357 HA2 GLY 48 2HA GLY 48 -1.650 -9.431 4.166 358 HA3 GLY 48 3HA GLY 48 -0.585 -8.034 4.230 359 H ILE 49 H ILE 49 -0.523 -8.273 1.148 360 HA ILE 49 HA ILE 49 -2.681 -6.406 0.727 361 HB ILE 49 HB ILE 49 -0.911 -7.540 -1.425 362 HG12 ILE 49 2HG1 ILE 49 -0.295 -5.228 0.429 363 HG13 ILE 49 3HG1 ILE 49 0.520 -6.788 0.432 364 HG21 ILE 49 1HG2 ILE 49 -1.982 -4.750 -1.212 365 HG22 ILE 49 2HG2 ILE 49 -1.444 -5.628 -2.643 366 HG23 ILE 49 3HG2 ILE 49 -2.967 -6.059 -1.865 367 HD11 ILE 49 3HD1 ILE 49 0.621 -5.711 -2.198 368 HD12 ILE 49 1HD1 ILE 49 1.158 -4.483 -1.052 369 HD13 ILE 49 2HD1 ILE 49 1.945 -6.061 -1.088 370 H LEU 50 H LEU 50 -1.933 -9.731 -0.134 371 HA LEU 50 HA LEU 50 -3.927 -10.151 -2.050 372 HB2 LEU 50 2HB LEU 50 -3.212 -12.318 -0.137 373 HB3 LEU 50 3HB LEU 50 -3.446 -12.392 -1.882 374 HG LEU 50 HG LEU 50 -1.031 -11.327 -0.422 375 HD11 LEU 50 1HD1 LEU 50 -1.566 -13.790 -2.057 376 HD12 LEU 50 2HD1 LEU 50 -0.962 -13.679 -0.405 377 HD13 LEU 50 3HD1 LEU 50 0.063 -13.186 -1.752 378 HD21 LEU 50 3HD2 LEU 50 -0.468 -11.574 -3.139 379 HD22 LEU 50 1HD2 LEU 50 -0.646 -10.079 -2.220 380 HD23 LEU 50 2HD2 LEU 50 -2.033 -10.762 -3.068 381 H ASP 51 H ASP 51 -3.999 -10.910 1.434 382 HA ASP 51 HA ASP 51 -6.541 -11.861 1.694 383 HB2 ASP 51 2HB ASP 51 -4.718 -11.442 3.491 384 HB3 ASP 51 3HB ASP 51 -5.489 -9.871 3.687 385 H GLN 52 H GLN 52 -8.563 -11.099 1.547 386 HA GLN 52 HA GLN 52 -9.230 -8.809 0.200 387 HB2 GLN 52 2HB GLN 52 -11.501 -9.047 1.293 388 HB3 GLN 52 3HB GLN 52 -10.892 -10.479 0.473 389 HG2 GLN 52 2HG GLN 52 -10.100 -11.302 2.703 390 HG3 GLN 52 3HG GLN 52 -10.975 -9.955 3.430 391 HE21 GLN 52 1HE2 GLN 52 -11.704 -12.323 4.286 392 HE22 GLN 52 2HE2 GLN 52 -13.210 -12.828 3.605 393 H ASP 53 H ASP 53 -9.188 -9.236 3.732 394 HA ASP 53 HA ASP 53 -8.641 -6.386 4.029 395 HB2 ASP 53 2HB ASP 53 -10.376 -6.417 5.971 396 HB3 ASP 53 3HB ASP 53 -10.944 -6.208 4.317 397 H LYS 54 H LYS 54 -7.056 -8.770 4.377 398 HA LYS 54 HA LYS 54 -5.719 -9.850 5.888 399 HB2 LYS 54 2HB LYS 54 -5.825 -7.074 7.081 400 HB3 LYS 54 3HB LYS 54 -4.660 -8.308 7.544 401 HG2 LYS 54 2HG LYS 54 -3.528 -6.936 6.027 402 HG3 LYS 54 3HG LYS 54 -3.980 -8.366 5.096 403 HD2 LYS 54 2HD LYS 54 -5.196 -7.146 3.681 404 HD3 LYS 54 3HD LYS 54 -6.059 -6.361 5.006 405 HE2 LYS 54 2HE LYS 54 -3.322 -5.571 4.013 406 HE3 LYS 54 3HE LYS 54 -4.827 -4.771 3.564 407 HZ1 LYS 54 3HZ LYS 54 -3.277 -4.537 5.974 408 HZ2 LYS 54 1HZ LYS 54 -4.927 -4.774 6.264 409 HZ3 LYS 54 2HZ LYS 54 -4.414 -3.473 5.312 410 H SER 55 H SER 55 -8.379 -10.418 6.383 411 HA SER 55 HA SER 55 -9.314 -9.951 8.963 412 HB2 SER 55 2HB SER 55 -10.882 -11.645 8.571 413 HB3 SER 55 3HB SER 55 -10.470 -11.106 6.943 414 HG SER 55 HG SER 55 -10.239 -13.239 6.782 415 H GLY 56 H GLY 56 -6.771 -12.006 7.852 416 HA2 GLY 56 2HA GLY 56 -5.269 -12.462 9.908 417 HA3 GLY 56 3HA GLY 56 -6.663 -13.387 10.447 418 H PHE 57 H PHE 57 -7.271 -14.241 7.673 419 HA PHE 57 HA PHE 57 -4.983 -15.838 6.896 420 HB2 PHE 57 2HB PHE 57 -7.516 -17.104 7.956 421 HB3 PHE 57 3HB PHE 57 -6.276 -17.977 7.062 422 HD1 PHE 57 HD1 PHE 57 -4.107 -18.429 8.059 423 HD2 PHE 57 HD2 PHE 57 -7.164 -16.415 10.232 424 HE1 PHE 57 HE1 PHE 57 -2.884 -18.840 10.154 425 HE2 PHE 57 HE2 PHE 57 -5.945 -16.822 12.330 426 HZ PHE 57 HZ PHE 57 -3.802 -18.035 12.293 427 H ILE 58 H ILE 58 -5.377 -17.056 4.904 428 HA ILE 58 HA ILE 58 -7.581 -15.906 3.319 429 HB ILE 58 HB ILE 58 -4.723 -16.403 2.514 430 HG12 ILE 58 2HG1 ILE 58 -6.535 -13.984 2.368 431 HG13 ILE 58 3HG1 ILE 58 -5.204 -14.220 3.496 432 HG21 ILE 58 1HG2 ILE 58 -5.984 -17.355 0.742 433 HG22 ILE 58 2HG2 ILE 58 -7.134 -16.019 0.756 434 HG23 ILE 58 3HG2 ILE 58 -5.480 -15.752 0.206 435 HD11 ILE 58 3HD1 ILE 58 -5.167 -13.460 0.645 436 HD12 ILE 58 1HD1 ILE 58 -4.140 -12.934 1.978 437 HD13 ILE 58 2HD1 ILE 58 -3.863 -14.500 1.216 438 H GLU 59 H GLU 59 -9.016 -17.515 3.117 439 HA GLU 59 HA GLU 59 -8.177 -20.267 2.866 440 HB2 GLU 59 2HB GLU 59 -10.965 -19.141 2.586 441 HB3 GLU 59 3HB GLU 59 -10.521 -20.810 2.911 442 HG2 GLU 59 2HG GLU 59 -9.763 -20.272 5.095 443 HG3 GLU 59 3HG GLU 59 -9.884 -18.543 4.777 444 H GLU 60 H GLU 60 -9.394 -21.595 1.115 445 HA GLU 60 HA GLU 60 -8.327 -21.013 -1.363 446 HB2 GLU 60 2HB GLU 60 -9.307 -23.214 -0.536 447 HB3 GLU 60 3HB GLU 60 -10.879 -22.574 -0.993 448 HG2 GLU 60 2HG GLU 60 -8.778 -22.457 -3.057 449 HG3 GLU 60 3HG GLU 60 -9.352 -24.063 -2.611 450 H GLU 61 H GLU 61 -11.210 -19.797 0.102 451 HA GLU 61 HA GLU 61 -12.585 -18.998 -2.237 452 HB2 GLU 61 2HB GLU 61 -12.697 -17.974 0.601 453 HB3 GLU 61 3HB GLU 61 -13.774 -17.419 -0.672 454 HG2 GLU 61 2HG GLU 61 -14.269 -19.970 -0.952 455 HG3 GLU 61 3HG GLU 61 -13.660 -20.057 0.700 456 H GLU 62 H GLU 62 -10.385 -17.258 -0.056 457 HA GLU 62 HA GLU 62 -10.380 -14.949 -1.824 458 HB2 GLU 62 2HB GLU 62 -9.592 -15.500 0.950 459 HB3 GLU 62 3HB GLU 62 -8.486 -14.435 0.092 460 HG2 GLU 62 2HG GLU 62 -10.029 -13.023 1.141 461 HG3 GLU 62 3HG GLU 62 -10.515 -13.070 -0.552 462 H LEU 63 H LEU 63 -8.797 -17.847 -1.700 463 HA LEU 63 HA LEU 63 -6.152 -16.947 -2.393 464 HB2 LEU 63 2HB LEU 63 -6.945 -19.179 -1.269 465 HB3 LEU 63 3HB LEU 63 -7.129 -19.713 -2.939 466 HG LEU 63 HG LEU 63 -4.720 -19.164 -3.302 467 HD11 LEU 63 1HD1 LEU 63 -5.021 -18.019 -0.702 468 HD12 LEU 63 2HD1 LEU 63 -3.637 -17.958 -1.793 469 HD13 LEU 63 3HD1 LEU 63 -3.797 -19.288 -0.647 470 HD21 LEU 63 3HD2 LEU 63 -4.193 -21.281 -2.790 471 HD22 LEU 63 1HD2 LEU 63 -5.872 -21.408 -2.263 472 HD23 LEU 63 2HD2 LEU 63 -4.601 -21.074 -1.086 473 H GLN 64 H GLN 64 -9.069 -17.780 -4.075 474 HA GLN 64 HA GLN 64 -7.927 -18.283 -6.621 475 HB2 GLN 64 2HB GLN 64 -10.140 -18.220 -7.469 476 HB3 GLN 64 3HB GLN 64 -10.256 -18.913 -5.856 477 HG2 GLN 64 2HG GLN 64 -10.927 -16.697 -4.995 478 HG3 GLN 64 3HG GLN 64 -10.908 -16.084 -6.648 479 HE21 GLN 64 1HE2 GLN 64 -13.173 -15.588 -5.951 480 HE22 GLN 64 2HE2 GLN 64 -14.373 -16.794 -6.253 481 H LEU 65 H LEU 65 -7.973 -15.507 -4.835 482 HA LEU 65 HA LEU 65 -8.146 -13.743 -7.174 483 HB2 LEU 65 2HB LEU 65 -7.881 -12.815 -4.339 484 HB3 LEU 65 3HB LEU 65 -8.551 -11.958 -5.726 485 HG LEU 65 HG LEU 65 -9.885 -14.361 -4.498 486 HD11 LEU 65 1HD1 LEU 65 -11.348 -12.783 -3.327 487 HD12 LEU 65 2HD1 LEU 65 -10.333 -11.447 -3.869 488 HD13 LEU 65 3HD1 LEU 65 -9.677 -12.663 -2.775 489 HD21 LEU 65 3HD2 LEU 65 -11.339 -12.201 -5.907 490 HD22 LEU 65 1HD2 LEU 65 -11.624 -13.942 -5.892 491 HD23 LEU 65 2HD2 LEU 65 -10.335 -13.268 -6.891 492 H PHE 66 H PHE 66 -5.860 -15.548 -6.267 493 HA PHE 66 HA PHE 66 -3.735 -13.925 -5.375 494 HB2 PHE 66 2HB PHE 66 -3.586 -16.328 -5.185 495 HB3 PHE 66 3HB PHE 66 -3.728 -16.517 -6.930 496 HD1 PHE 66 HD1 PHE 66 -1.533 -15.292 -4.226 497 HD2 PHE 66 HD2 PHE 66 -1.840 -16.368 -8.333 498 HE1 PHE 66 HE1 PHE 66 0.917 -15.210 -4.428 499 HE2 PHE 66 HE2 PHE 66 0.610 -16.288 -8.541 500 HZ PHE 66 HZ PHE 66 1.992 -15.709 -6.586 501 H LEU 67 H LEU 67 -5.184 -14.375 -8.478 502 HA LEU 67 HA LEU 67 -2.938 -13.224 -9.914 503 HB2 LEU 67 2HB LEU 67 -5.615 -14.307 -10.704 504 HB3 LEU 67 3HB LEU 67 -4.663 -13.350 -11.837 505 HG LEU 67 HG LEU 67 -3.722 -15.910 -10.548 506 HD11 LEU 67 1HD1 LEU 67 -5.567 -15.518 -12.671 507 HD12 LEU 67 2HD1 LEU 67 -4.891 -17.027 -12.060 508 HD13 LEU 67 3HD1 LEU 67 -4.066 -16.150 -13.348 509 HD21 LEU 67 3HD2 LEU 67 -2.196 -15.620 -12.711 510 HD22 LEU 67 1HD2 LEU 67 -1.763 -14.931 -11.146 511 HD23 LEU 67 2HD2 LEU 67 -2.514 -13.917 -12.378 512 H LYS 68 H LYS 68 -5.079 -11.917 -7.932 513 HA LYS 68 HA LYS 68 -5.770 -9.615 -9.603 514 HB2 LYS 68 2HB LYS 68 -6.576 -10.038 -6.731 515 HB3 LYS 68 3HB LYS 68 -7.337 -9.004 -7.933 516 HG2 LYS 68 2HG LYS 68 -7.303 -12.014 -7.998 517 HG3 LYS 68 3HG LYS 68 -8.654 -11.012 -7.464 518 HD2 LYS 68 2HD LYS 68 -7.618 -10.305 -10.109 519 HD3 LYS 68 3HD LYS 68 -8.281 -11.938 -10.011 520 HE2 LYS 68 2HE LYS 68 -10.398 -11.169 -9.405 521 HE3 LYS 68 3HE LYS 68 -9.785 -9.594 -8.904 522 HZ1 LYS 68 3HZ LYS 68 -9.222 -10.043 -11.641 523 HZ2 LYS 68 1HZ LYS 68 -10.129 -8.804 -10.929 524 HZ3 LYS 68 2HZ LYS 68 -10.875 -10.262 -11.353 525 H ASN 69 H ASN 69 -3.530 -10.611 -7.218 526 HA ASN 69 HA ASN 69 -2.825 -7.841 -6.557 527 HB2 ASN 69 2HB ASN 69 -3.101 -9.906 -4.873 528 HB3 ASN 69 3HB ASN 69 -1.404 -10.126 -5.289 529 HD21 ASN 69 1HD2 ASN 69 0.080 -8.859 -4.363 530 HD22 ASN 69 2HD2 ASN 69 -0.271 -7.534 -3.311 531 H PHE 70 H PHE 70 -2.105 -9.979 -8.882 532 HA PHE 70 HA PHE 70 0.676 -9.032 -9.095 533 HB2 PHE 70 2HB PHE 70 -0.463 -11.752 -9.711 534 HB3 PHE 70 3HB PHE 70 1.057 -11.203 -10.409 535 HD1 PHE 70 HD2 PHE 70 -0.667 -11.817 -7.186 536 HD2 PHE 70 HD1 PHE 70 3.050 -11.367 -9.209 537 HE1 PHE 70 HE2 PHE 70 0.520 -12.546 -5.158 538 HE2 PHE 70 HE1 PHE 70 4.244 -12.096 -7.185 539 HZ PHE 70 HZ PHE 70 2.979 -12.685 -5.156 540 H SER 71 H SER 71 -2.164 -10.178 -10.883 541 HA SER 71 HA SER 71 -1.178 -8.822 -13.287 542 HB2 SER 71 2HB SER 71 -2.131 -11.278 -13.177 543 HB3 SER 71 3HB SER 71 -3.688 -10.453 -13.257 544 HG SER 71 HG SER 71 -3.089 -10.828 -15.340 545 H SER 72 H SER 72 -3.839 -8.845 -10.995 546 HA SER 72 HA SER 72 -5.481 -7.338 -10.537 547 HB2 SER 72 2HB SER 72 -4.051 -5.331 -12.270 548 HB3 SER 72 3HB SER 72 -5.021 -5.044 -10.825 549 HG SER 72 HG SER 72 -2.674 -4.933 -10.555 550 H SER 73 H SER 73 -5.293 -8.902 -13.184 551 HA SER 73 HA SER 73 -7.579 -7.552 -14.440 552 HB2 SER 73 2HB SER 73 -5.332 -7.234 -15.681 553 HB3 SER 73 3HB SER 73 -5.491 -8.937 -16.110 554 HG SER 73 HG SER 73 -6.779 -6.771 -17.123 555 H ALA 74 H ALA 74 -5.675 -10.548 -14.282 556 HA ALA 74 HA ALA 74 -7.460 -12.305 -15.438 557 HB1 ALA 74 1HB ALA 74 -5.593 -13.469 -15.004 558 HB2 ALA 74 2HB ALA 74 -5.219 -12.525 -13.562 559 HB3 ALA 74 3HB ALA 74 -6.383 -13.847 -13.473 560 H ARG 75 H ARG 75 -9.401 -13.081 -14.916 561 HA ARG 75 HA ARG 75 -11.029 -12.082 -12.962 562 HB2 ARG 75 2HB ARG 75 -12.118 -14.518 -13.175 563 HB3 ARG 75 3HB ARG 75 -12.263 -13.299 -14.435 564 HG2 ARG 75 2HG ARG 75 -10.898 -14.408 -15.862 565 HG3 ARG 75 3HG ARG 75 -9.912 -15.088 -14.565 566 HD2 ARG 75 2HD ARG 75 -12.210 -16.359 -14.065 567 HD3 ARG 75 3HD ARG 75 -12.406 -16.103 -15.799 568 HE ARG 75 HE ARG 75 -9.841 -17.168 -15.199 569 HH11 ARG 75 1HH1 ARG 75 -13.200 -18.032 -15.499 570 HH12 ARG 75 2HH1 ARG 75 -12.873 -19.684 -15.909 571 HH21 ARG 75 1HH2 ARG 75 -9.398 -19.339 -15.738 572 HH22 ARG 75 2HH2 ARG 75 -10.710 -20.426 -16.044 573 H VAL 76 H VAL 76 -10.003 -15.467 -12.699 574 HA VAL 76 HA VAL 76 -8.940 -15.080 -10.044 575 HB VAL 76 HB VAL 76 -10.550 -16.894 -9.141 576 HG11 VAL 76 1HG1 VAL 76 -10.394 -14.414 -8.542 577 HG12 VAL 76 2HG1 VAL 76 -11.804 -14.203 -9.582 578 HG13 VAL 76 3HG1 VAL 76 -11.901 -15.249 -8.165 579 HG21 VAL 76 3HG2 VAL 76 -12.447 -15.708 -11.138 580 HG22 VAL 76 1HG2 VAL 76 -11.536 -17.174 -11.502 581 HG23 VAL 76 2HG2 VAL 76 -12.647 -17.143 -10.133 582 H LEU 77 H LEU 77 -8.393 -17.298 -9.054 583 HA LEU 77 HA LEU 77 -6.734 -18.682 -10.864 584 HB2 LEU 77 2HB LEU 77 -7.699 -19.515 -8.132 585 HB3 LEU 77 3HB LEU 77 -6.366 -20.256 -9.015 586 HG LEU 77 HG LEU 77 -6.482 -17.543 -7.731 587 HD11 LEU 77 1HD1 LEU 77 -4.285 -18.421 -6.807 588 HD12 LEU 77 2HD1 LEU 77 -4.772 -19.994 -7.438 589 HD13 LEU 77 3HD1 LEU 77 -5.760 -19.189 -6.219 590 HD21 LEU 77 3HD2 LEU 77 -4.572 -18.548 -9.828 591 HD22 LEU 77 1HD2 LEU 77 -4.191 -17.221 -8.730 592 HD23 LEU 77 2HD2 LEU 77 -5.542 -17.075 -9.855 593 H THR 78 H THR 78 -6.815 -21.098 -11.156 594 HA THR 78 HA THR 78 -9.586 -22.004 -11.590 595 HB THR 78 HB THR 78 -8.418 -21.371 -13.720 596 HG1 THR 78 HG1 THR 78 -8.853 -23.604 -14.647 597 HG21 THR 78 3HG2 THR 78 -6.657 -22.773 -14.579 598 HG22 THR 78 1HG2 THR 78 -6.729 -23.810 -13.154 599 HG23 THR 78 2HG2 THR 78 -6.159 -22.147 -13.007 600 H SER 79 H SER 79 -9.106 -24.552 -12.447 601 HA SER 79 HA SER 79 -8.445 -25.864 -9.988 602 HB2 SER 79 2HB SER 79 -9.339 -26.812 -12.700 603 HB3 SER 79 3HB SER 79 -8.827 -27.959 -11.462 604 HG SER 79 HG SER 79 -11.005 -27.704 -11.221 605 H ALA 80 H ALA 80 -6.189 -24.680 -10.383 606 HA ALA 80 HA ALA 80 -4.269 -26.712 -10.596 607 HB1 ALA 80 1HB ALA 80 -3.427 -25.087 -12.777 608 HB2 ALA 80 2HB ALA 80 -3.761 -26.819 -12.752 609 HB3 ALA 80 3HB ALA 80 -5.056 -25.676 -13.107 610 H GLU 81 H GLU 81 -4.949 -23.267 -10.903 611 HA GLU 81 HA GLU 81 -2.328 -22.477 -10.011 612 HB2 GLU 81 2HB GLU 81 -4.880 -20.906 -10.405 613 HB3 GLU 81 3HB GLU 81 -3.340 -20.189 -9.951 614 HG2 GLU 81 2HG GLU 81 -2.496 -21.423 -12.108 615 HG3 GLU 81 3HG GLU 81 -4.201 -21.350 -12.547 616 H THR 82 H THR 82 -5.596 -22.469 -8.617 617 HA THR 82 HA THR 82 -4.806 -21.450 -6.092 618 HB THR 82 HB THR 82 -7.176 -23.170 -6.048 619 HG1 THR 82 HG1 THR 82 -7.960 -22.551 -7.905 620 HG21 THR 82 3HG2 THR 82 -7.407 -20.249 -5.756 621 HG22 THR 82 1HG2 THR 82 -6.279 -21.027 -4.646 622 HG23 THR 82 2HG2 THR 82 -7.965 -21.542 -4.695 623 H LYS 83 H LYS 83 -5.137 -24.697 -7.402 624 HA LYS 83 HA LYS 83 -4.801 -26.044 -4.910 625 HB2 LYS 83 2HB LYS 83 -4.301 -27.116 -7.692 626 HB3 LYS 83 3HB LYS 83 -4.584 -28.061 -6.236 627 HG2 LYS 83 2HG LYS 83 -6.830 -26.648 -6.215 628 HG3 LYS 83 3HG LYS 83 -6.499 -26.586 -7.948 629 HD2 LYS 83 2HD LYS 83 -6.435 -28.993 -8.068 630 HD3 LYS 83 3HD LYS 83 -6.590 -29.122 -6.315 631 HE2 LYS 83 2HE LYS 83 -8.675 -27.681 -7.900 632 HE3 LYS 83 3HE LYS 83 -8.681 -29.442 -7.838 633 HZ1 LYS 83 3HZ LYS 83 -8.403 -28.807 -5.250 634 HZ2 LYS 83 1HZ LYS 83 -9.889 -29.116 -5.998 635 HZ3 LYS 83 2HZ LYS 83 -9.364 -27.522 -5.788 636 H ALA 84 H ALA 84 -2.626 -25.346 -7.634 637 HA ALA 84 HA ALA 84 -0.343 -26.553 -6.456 638 HB1 ALA 84 1HB ALA 84 -0.253 -24.367 -8.514 639 HB2 ALA 84 2HB ALA 84 0.879 -25.698 -8.270 640 HB3 ALA 84 3HB ALA 84 -0.731 -26.017 -8.915 641 H PHE 85 H PHE 85 -1.999 -23.748 -5.684 642 HA PHE 85 HA PHE 85 0.391 -22.426 -4.607 643 HB2 PHE 85 2HB PHE 85 -1.194 -21.110 -6.048 644 HB3 PHE 85 3HB PHE 85 -2.414 -21.315 -4.795 645 HD1 PHE 85 HD1 PHE 85 0.949 -19.909 -5.454 646 HD2 PHE 85 HD2 PHE 85 -2.497 -19.879 -2.955 647 HE1 PHE 85 HE1 PHE 85 1.808 -17.913 -4.299 648 HE2 PHE 85 HE2 PHE 85 -1.644 -17.883 -1.797 649 HZ PHE 85 HZ PHE 85 0.511 -16.897 -2.468 650 H LEU 86 H LEU 86 -2.885 -23.432 -3.670 651 HA LEU 86 HA LEU 86 -2.584 -22.810 -0.923 652 HB2 LEU 86 2HB LEU 86 -4.704 -23.320 -2.390 653 HB3 LEU 86 3HB LEU 86 -4.419 -24.971 -1.845 654 HG LEU 86 HG LEU 86 -4.599 -22.779 0.174 655 HD11 LEU 86 1HD1 LEU 86 -7.135 -24.086 -0.272 656 HD12 LEU 86 2HD1 LEU 86 -6.619 -23.175 -1.691 657 HD13 LEU 86 3HD1 LEU 86 -6.761 -22.369 -0.129 658 HD21 LEU 86 3HD2 LEU 86 -4.706 -24.470 1.623 659 HD22 LEU 86 1HD2 LEU 86 -4.211 -25.508 0.285 660 HD23 LEU 86 2HD2 LEU 86 -5.923 -25.319 0.667 661 H ALA 87 H ALA 87 -2.506 -25.934 -2.641 662 HA ALA 87 HA ALA 87 -1.740 -27.450 -0.382 663 HB1 ALA 87 1HB ALA 87 -1.271 -29.237 -1.960 664 HB2 ALA 87 2HB ALA 87 -2.789 -28.437 -2.368 665 HB3 ALA 87 3HB ALA 87 -1.333 -28.093 -3.301 666 H ALA 88 H ALA 88 -0.010 -25.256 -2.276 667 HA ALA 88 HA ALA 88 2.575 -26.494 -1.655 668 HB1 ALA 88 1HB ALA 88 3.547 -25.058 -3.275 669 HB2 ALA 88 2HB ALA 88 2.066 -25.701 -3.987 670 HB3 ALA 88 3HB ALA 88 2.097 -24.056 -3.353 671 H GLY 89 H GLY 89 0.508 -23.855 -0.789 672 HA2 GLY 89 2HA GLY 89 2.668 -22.552 0.715 673 HA3 GLY 89 3HA GLY 89 1.092 -21.855 0.368 674 H ASP 90 H ASP 90 -0.736 -23.458 1.290 675 HA ASP 90 HA ASP 90 -0.790 -23.122 4.021 676 HB2 ASP 90 2HB ASP 90 -2.854 -23.572 3.000 677 HB3 ASP 90 3HB ASP 90 -2.248 -25.021 2.204 678 H THR 91 H THR 91 0.425 -23.950 5.574 679 HA THR 91 HA THR 91 1.466 -26.689 5.244 680 HB THR 91 HB THR 91 3.287 -25.946 6.853 681 HG1 THR 91 HG1 THR 91 3.562 -23.511 6.565 682 HG21 THR 91 3HG2 THR 91 4.407 -24.505 4.969 683 HG22 THR 91 1HG2 THR 91 2.988 -24.987 4.039 684 HG23 THR 91 2HG2 THR 91 4.069 -26.215 4.699 685 H ASP 92 H ASP 92 -0.069 -24.389 7.379 686 HA ASP 92 HA ASP 92 0.089 -25.788 9.793 687 HB2 ASP 92 2HB ASP 92 -1.550 -23.612 8.692 688 HB3 ASP 92 3HB ASP 92 -2.353 -24.551 9.947 689 H GLY 93 H GLY 93 -2.187 -26.065 7.108 690 HA2 GLY 93 2HA GLY 93 -2.875 -28.521 6.880 691 HA3 GLY 93 3HA GLY 93 -3.498 -28.303 8.509 692 H ASP 94 H ASP 94 -4.811 -26.023 8.534 693 HA ASP 94 HA ASP 94 -7.243 -26.527 7.344 694 HB2 ASP 94 2HB ASP 94 -6.085 -23.838 8.109 695 HB3 ASP 94 3HB ASP 94 -7.789 -24.152 7.792 696 H GLY 95 H GLY 95 -8.387 -25.423 5.620 697 HA2 GLY 95 2HA GLY 95 -6.797 -25.300 3.228 698 HA3 GLY 95 3HA GLY 95 -8.536 -25.070 3.339 699 H LYS 96 H LYS 96 -5.626 -23.383 4.530 700 HA LYS 96 HA LYS 96 -6.296 -21.014 3.040 701 HB2 LYS 96 2HB LYS 96 -6.340 -19.590 5.154 702 HB3 LYS 96 3HB LYS 96 -7.781 -20.537 4.809 703 HG2 LYS 96 2HG LYS 96 -7.120 -22.200 6.436 704 HG3 LYS 96 3HG LYS 96 -5.611 -21.336 6.738 705 HD2 LYS 96 2HD LYS 96 -6.611 -19.790 8.041 706 HD3 LYS 96 3HD LYS 96 -8.056 -19.725 7.029 707 HE2 LYS 96 2HE LYS 96 -7.426 -22.019 8.877 708 HE3 LYS 96 3HE LYS 96 -8.390 -20.624 9.360 709 HZ1 LYS 96 3HZ LYS 96 -10.063 -21.173 7.844 710 HZ2 LYS 96 1HZ LYS 96 -9.631 -22.654 8.538 711 HZ3 LYS 96 2HZ LYS 96 -9.081 -22.253 6.990 712 H ILE 97 H ILE 97 -4.731 -19.175 3.711 713 HA ILE 97 HA ILE 97 -2.169 -20.236 4.652 714 HB ILE 97 HB ILE 97 -2.565 -18.795 2.031 715 HG12 ILE 97 2HG1 ILE 97 -1.348 -21.488 2.684 716 HG13 ILE 97 3HG1 ILE 97 -2.948 -21.234 1.996 717 HG21 ILE 97 1HG2 ILE 97 -0.088 -18.928 1.831 718 HG22 ILE 97 2HG2 ILE 97 -0.646 -17.832 3.094 719 HG23 ILE 97 3HG2 ILE 97 -0.024 -19.426 3.521 720 HD11 ILE 97 3HD1 ILE 97 -0.334 -20.502 0.699 721 HD12 ILE 97 1HD1 ILE 97 -1.345 -21.889 0.296 722 HD13 ILE 97 2HD1 ILE 97 -1.937 -20.253 0.007 723 H GLY 98 H GLY 98 -1.361 -18.936 6.156 724 HA2 GLY 98 2HA GLY 98 -2.381 -16.202 6.365 725 HA3 GLY 98 3HA GLY 98 -1.500 -17.079 7.608 726 H VAL 99 H VAL 99 0.456 -16.309 7.994 727 HA VAL 99 HA VAL 99 1.883 -14.945 5.806 728 HB VAL 99 HB VAL 99 3.171 -14.232 8.154 729 HG11 VAL 99 1HG1 VAL 99 2.629 -12.086 7.538 730 HG12 VAL 99 2HG1 VAL 99 2.343 -12.947 6.024 731 HG13 VAL 99 3HG1 VAL 99 0.986 -12.519 7.067 732 HG21 VAL 99 3HG2 VAL 99 1.369 -13.386 9.609 733 HG22 VAL 99 1HG2 VAL 99 0.187 -14.217 8.598 734 HG23 VAL 99 2HG2 VAL 99 1.378 -15.147 9.507 735 H GLU 100 H GLU 100 2.523 -16.808 8.783 736 HA GLU 100 HA GLU 100 5.186 -17.419 8.263 737 HB2 GLU 100 2HB GLU 100 3.142 -18.284 10.108 738 HB3 GLU 100 3HB GLU 100 4.112 -19.653 9.586 739 HG2 GLU 100 2HG GLU 100 6.109 -18.044 10.121 740 HG3 GLU 100 3HG GLU 100 4.910 -17.243 11.135 741 H GLU 101 H GLU 101 2.248 -18.895 7.070 742 HA GLU 101 HA GLU 101 3.648 -21.137 5.890 743 HB2 GLU 101 2HB GLU 101 0.795 -20.334 5.355 744 HB3 GLU 101 3HB GLU 101 1.520 -21.929 5.207 745 HG2 GLU 101 2HG GLU 101 1.735 -22.100 7.602 746 HG3 GLU 101 3HG GLU 101 1.136 -20.454 7.802 747 H PHE 102 H PHE 102 2.691 -17.958 4.994 748 HA PHE 102 HA PHE 102 2.599 -18.344 2.176 749 HB2 PHE 102 2HB PHE 102 1.533 -16.421 3.310 750 HB3 PHE 102 3HB PHE 102 3.127 -15.806 3.736 751 HD1 PHE 102 HD1 PHE 102 0.914 -16.600 0.879 752 HD2 PHE 102 HD2 PHE 102 4.359 -14.498 2.233 753 HE1 PHE 102 HE1 PHE 102 1.012 -15.390 -1.261 754 HE2 PHE 102 HE2 PHE 102 4.462 -13.284 0.096 755 HZ PHE 102 HZ PHE 102 2.787 -13.728 -1.654 756 H GLN 103 H GLN 103 5.021 -16.624 4.156 757 HA GLN 103 HA GLN 103 6.962 -16.389 2.185 758 HB2 GLN 103 2HB GLN 103 8.578 -16.167 4.090 759 HB3 GLN 103 3HB GLN 103 7.170 -15.119 4.200 760 HG2 GLN 103 2HG GLN 103 6.146 -16.615 5.805 761 HG3 GLN 103 3HG GLN 103 7.503 -17.730 5.659 762 HE21 GLN 103 1HE2 GLN 103 9.412 -17.277 6.684 763 HE22 GLN 103 2HE2 GLN 103 9.593 -15.991 7.822 764 H SER 104 H SER 104 6.047 -19.130 4.083 765 HA SER 104 HA SER 104 8.429 -20.637 3.836 766 HB2 SER 104 2HB SER 104 6.802 -21.256 5.506 767 HB3 SER 104 3HB SER 104 5.561 -21.497 4.276 768 HG SER 104 HG SER 104 6.945 -23.368 5.201 769 H LEU 105 H LEU 105 6.106 -19.732 1.561 770 HA LEU 105 HA LEU 105 6.715 -22.000 -0.197 771 HB2 LEU 105 2HB LEU 105 4.373 -21.570 0.031 772 HB3 LEU 105 3HB LEU 105 4.603 -19.858 -0.322 773 HG LEU 105 HG LEU 105 5.370 -21.829 -2.413 774 HD11 LEU 105 1HD1 LEU 105 3.352 -22.816 -2.249 775 HD12 LEU 105 2HD1 LEU 105 2.810 -21.371 -3.102 776 HD13 LEU 105 3HD1 LEU 105 2.646 -21.474 -1.349 777 HD21 LEU 105 3HD2 LEU 105 5.360 -19.128 -2.294 778 HD22 LEU 105 1HD2 LEU 105 3.772 -19.431 -2.999 779 HD23 LEU 105 2HD2 LEU 105 5.220 -20.055 -3.789 780 H VAL 106 H VAL 106 6.761 -18.461 -0.092 781 HA VAL 106 HA VAL 106 7.788 -18.035 -2.674 782 HB VAL 106 HB VAL 106 8.131 -16.328 -0.204 783 HG11 VAL 106 1HG1 VAL 106 9.585 -15.216 -1.497 784 HG12 VAL 106 2HG1 VAL 106 9.046 -16.029 -2.968 785 HG13 VAL 106 3HG1 VAL 106 8.152 -14.640 -2.348 786 HG21 VAL 106 3HG2 VAL 106 6.052 -16.313 -2.388 787 HG22 VAL 106 1HG2 VAL 106 5.802 -16.655 -0.675 788 HG23 VAL 106 2HG2 VAL 106 6.249 -15.030 -1.194 789 H LYS 107 H LYS 107 9.394 -18.490 0.448 790 HA LYS 107 HA LYS 107 12.020 -17.988 -0.398 791 HB2 LYS 107 2HB LYS 107 10.908 -19.686 1.832 792 HB3 LYS 107 3HB LYS 107 12.636 -19.467 1.586 793 HG2 LYS 107 2HG LYS 107 11.717 -16.892 1.569 794 HG3 LYS 107 3HG LYS 107 10.662 -17.667 2.754 795 HD2 LYS 107 2HD LYS 107 12.414 -17.045 4.099 796 HD3 LYS 107 3HD LYS 107 12.931 -18.667 3.633 797 HE2 LYS 107 2HE LYS 107 13.740 -16.398 1.896 798 HE3 LYS 107 3HE LYS 107 14.539 -16.561 3.458 799 HZ1 LYS 107 3HZ LYS 107 14.860 -18.121 1.081 800 HZ2 LYS 107 1HZ LYS 107 14.568 -19.085 2.441 801 HZ3 LYS 107 2HZ LYS 107 15.867 -18.002 2.435 802 H ALA 108 H ALA 108 9.930 -20.611 -1.040 803 HA ALA 108 HA ALA 108 12.141 -22.386 -1.774 804 HB1 ALA 108 1HB ALA 108 10.148 -23.191 -0.427 805 HB2 ALA 108 2HB ALA 108 9.212 -23.047 -1.915 806 HB3 ALA 108 3HB ALA 108 10.584 -24.152 -1.841
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