NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
540173 | 2lom | 18217 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -0.790 -18.355 5.414 2 HA MET 1 HA MET 1 -3.017 -19.362 4.416 3 HB2 MET 1 HB2 MET 1 -2.177 -19.177 6.879 4 HB3 MET 1 HB3 MET 1 -3.030 -17.648 6.954 5 HG2 MET 1 HG2 MET 1 -4.792 -19.676 5.827 6 HG3 MET 1 HG3 MET 1 -4.114 -20.269 7.330 7 HE1 MET 1 HE1 MET 1 -7.094 -19.018 6.127 8 HE2 MET 1 HE2 MET 1 -7.048 -20.053 7.575 9 HE3 MET 1 HE3 MET 1 -7.808 -18.445 7.653 10 H SER 2 H SER 2 -4.742 -18.661 3.233 11 HA SER 2 HA SER 2 -5.748 -16.019 3.767 12 HB2 SER 2 HB2 SER 2 -4.755 -16.898 1.023 13 HB3 SER 2 HB3 SER 2 -5.821 -15.527 1.260 14 HG SER 2 HG SER 2 -4.141 -14.340 1.834 15 H THR 3 H THR 3 -7.926 -16.312 4.050 16 HA THR 3 HA THR 3 -9.203 -18.440 2.459 17 HB THR 3 HB THR 3 -9.102 -18.996 4.861 18 HG1 THR 3 HG1 THR 3 -11.678 -17.799 4.132 19 HG21 THR 3 HG21 THR 3 -10.524 -16.306 5.232 20 HG22 THR 3 HG22 THR 3 -10.326 -17.541 6.499 21 HG23 THR 3 HG23 THR 3 -8.899 -16.710 5.835 22 H ASP 4 H ASP 4 -9.434 -15.108 3.759 23 HA ASP 4 HA ASP 4 -11.902 -14.746 2.344 24 HB2 ASP 4 HB2 ASP 4 -10.150 -12.936 4.056 25 HB3 ASP 4 HB3 ASP 4 -11.558 -12.322 3.213 26 H THR 5 H THR 5 -11.571 -14.587 0.094 27 HA THR 5 HA THR 5 -10.328 -12.313 -0.967 28 HB THR 5 HB THR 5 -8.258 -13.595 -0.256 29 HG1 THR 5 HG1 THR 5 -8.890 -13.460 -3.121 30 HG21 THR 5 HG21 THR 5 -9.232 -15.918 -0.770 31 HG22 THR 5 HG22 THR 5 -9.088 -15.507 -2.496 32 HG23 THR 5 HG23 THR 5 -7.630 -15.607 -1.480 33 H GLY 6 H GLY 6 -11.492 -11.857 -2.721 34 HA2 GLY 6 HA2 GLY 6 -11.927 -12.904 -4.994 35 HA3 GLY 6 HA3 GLY 6 -12.803 -14.122 -4.087 36 H VAL 7 H VAL 7 -14.784 -13.563 -2.966 37 HA VAL 7 HA VAL 7 -16.077 -11.267 -4.189 38 HB VAL 7 HB VAL 7 -17.059 -13.647 -2.611 39 HG11 VAL 7 HG11 VAL 7 -19.350 -12.670 -3.524 40 HG12 VAL 7 HG12 VAL 7 -18.666 -12.133 -1.971 41 HG13 VAL 7 HG13 VAL 7 -18.464 -11.130 -3.427 42 HG21 VAL 7 HG21 VAL 7 -16.803 -14.552 -4.670 43 HG22 VAL 7 HG22 VAL 7 -18.341 -13.720 -5.004 44 HG23 VAL 7 HG23 VAL 7 -16.800 -12.969 -5.485 45 H SER 8 H SER 8 -14.457 -9.923 -2.803 46 HA SER 8 HA SER 8 -15.972 -9.035 -0.556 47 HB2 SER 8 HB2 SER 8 -13.778 -10.831 -0.129 48 HB3 SER 8 HB3 SER 8 -13.245 -9.246 0.397 49 HG SER 8 HG SER 8 -14.632 -9.279 2.052 50 H LEU 9 H LEU 9 -16.157 -7.071 -1.756 51 HA LEU 9 HA LEU 9 -14.149 -5.201 -1.359 52 HB2 LEU 9 HB2 LEU 9 -13.308 -6.820 -3.325 53 HB3 LEU 9 HB3 LEU 9 -14.259 -5.703 -4.282 54 HG LEU 9 HG LEU 9 -11.988 -4.965 -4.299 55 HD11 LEU 9 HD11 LEU 9 -12.472 -2.791 -4.075 56 HD12 LEU 9 HD12 LEU 9 -14.092 -3.354 -3.600 57 HD13 LEU 9 HD13 LEU 9 -12.887 -2.957 -2.352 58 HD21 LEU 9 HD21 LEU 9 -10.912 -4.249 -2.073 59 HD22 LEU 9 HD22 LEU 9 -12.122 -5.307 -1.308 60 HD23 LEU 9 HD23 LEU 9 -10.956 -5.984 -2.471 61 HA PRO 10 HA PRO 10 -18.211 -3.577 -2.196 62 HB2 PRO 10 HB2 PRO 10 -18.262 -1.792 -0.128 63 HB3 PRO 10 HB3 PRO 10 -18.868 -3.431 0.006 64 HG2 PRO 10 HG2 PRO 10 -16.359 -2.291 1.074 65 HG3 PRO 10 HG3 PRO 10 -17.179 -3.767 1.540 66 HD2 PRO 10 HD2 PRO 10 -14.834 -3.551 -0.097 67 HD3 PRO 10 HD3 PRO 10 -15.722 -5.016 0.274 68 H SER 11 H SER 11 -17.124 -2.901 -4.200 69 HA SER 11 HA SER 11 -17.361 -0.156 -4.410 70 HB2 SER 11 HB2 SER 11 -14.843 -0.918 -3.343 71 HB3 SER 11 HB3 SER 11 -14.531 -0.538 -5.025 72 HG SER 11 HG SER 11 -16.114 1.423 -4.265 73 H TYR 12 H TYR 12 -18.328 -0.283 -6.410 74 HA TYR 12 HA TYR 12 -17.615 -2.300 -8.280 75 HB2 TYR 12 HB2 TYR 12 -19.752 -0.603 -7.705 76 HB3 TYR 12 HB3 TYR 12 -19.043 0.245 -9.064 77 HD1 TYR 12 HD2 TYR 12 -18.251 -1.708 -10.972 78 HD2 TYR 12 HD1 TYR 12 -21.617 -1.819 -8.334 79 HE1 TYR 12 HE2 TYR 12 -19.462 -3.270 -12.572 80 HE2 TYR 12 HE1 TYR 12 -22.817 -3.380 -9.942 81 HH TYR 12 HH TYR 12 -21.186 -4.572 -12.851 82 H GLU 13 H GLU 13 -15.411 -2.105 -8.856 83 HA GLU 13 HA GLU 13 -14.910 -0.422 -10.980 84 HB2 GLU 13 HB2 GLU 13 -14.842 1.297 -9.088 85 HB3 GLU 13 HB3 GLU 13 -13.422 0.473 -8.477 86 HG2 GLU 13 HG2 GLU 13 -12.133 0.989 -10.436 87 HG3 GLU 13 HG3 GLU 13 -13.558 1.409 -11.367 88 H GLU 14 H GLU 14 -14.103 -2.338 -11.904 89 HA GLU 14 HA GLU 14 -11.423 -2.875 -11.415 90 HB2 GLU 14 HB2 GLU 14 -12.804 -4.070 -9.446 91 HB3 GLU 14 HB3 GLU 14 -13.040 -5.303 -10.669 92 HG2 GLU 14 HG2 GLU 14 -10.986 -6.106 -10.133 93 HG3 GLU 14 HG3 GLU 14 -10.305 -4.678 -10.888 94 H ASP 15 H ASP 15 -10.579 -3.740 -13.293 95 HA ASP 15 HA ASP 15 -12.566 -4.771 -15.154 96 HB2 ASP 15 HB2 ASP 15 -10.821 -2.692 -15.508 97 HB3 ASP 15 HB3 ASP 15 -9.821 -4.009 -16.090 98 H GLN 16 H GLN 16 -12.488 -7.036 -14.917 99 HA GLN 16 HA GLN 16 -11.726 -9.068 -14.911 100 HB2 GLN 16 HB2 GLN 16 -9.985 -7.660 -16.770 101 HB3 GLN 16 HB3 GLN 16 -9.092 -8.949 -15.989 102 HG2 GLN 16 HG2 GLN 16 -11.507 -10.204 -16.542 103 HG3 GLN 16 HG3 GLN 16 -11.360 -9.112 -17.904 104 HE21 GLN 16 HE21 GLN 16 -10.263 -11.967 -16.393 105 HE22 GLN 16 HE22 GLN 16 -9.053 -12.446 -17.536 106 H GLY 17 H GLY 17 -11.647 -8.578 -12.476 107 HA2 GLY 17 HA2 GLY 17 -9.569 -7.860 -10.953 108 HA3 GLY 17 HA3 GLY 17 -10.621 -9.202 -10.549 109 H SER 18 H SER 18 -10.035 -11.274 -12.141 110 HA SER 18 HA SER 18 -7.817 -12.366 -11.142 111 HB2 SER 18 HB2 SER 18 -9.692 -12.985 -13.204 112 HB3 SER 18 HB3 SER 18 -8.105 -13.274 -13.888 113 HG SER 18 HG SER 18 -7.790 -14.401 -11.611 114 H LYS 19 H LYS 19 -8.081 -10.538 -14.265 115 HA LYS 19 HA LYS 19 -5.452 -10.853 -15.073 116 HB2 LYS 19 HB2 LYS 19 -7.425 -9.973 -16.395 117 HB3 LYS 19 HB3 LYS 19 -7.203 -8.436 -15.584 118 HG2 LYS 19 HG2 LYS 19 -4.703 -8.622 -16.373 119 HG3 LYS 19 HG3 LYS 19 -5.290 -9.854 -17.472 120 HD2 LYS 19 HD2 LYS 19 -7.142 -7.966 -18.016 121 HD3 LYS 19 HD3 LYS 19 -5.877 -6.898 -17.439 122 HE2 LYS 19 HE2 LYS 19 -4.562 -8.739 -19.163 123 HE3 LYS 19 HE3 LYS 19 -6.057 -8.335 -19.983 124 HZ1 LYS 19 HZ1 LYS 19 -5.470 -5.941 -19.567 125 HZ2 LYS 19 HZ2 LYS 19 -4.009 -6.414 -19.024 126 HZ3 LYS 19 HZ3 LYS 19 -4.457 -6.754 -20.562 127 H LEU 20 H LEU 20 -6.981 -8.404 -12.909 128 HA LEU 20 HA LEU 20 -4.687 -6.835 -12.607 129 HB2 LEU 20 HB2 LEU 20 -7.359 -6.945 -11.618 130 HB3 LEU 20 HB3 LEU 20 -6.281 -6.770 -10.247 131 HG LEU 20 HG LEU 20 -7.033 -4.601 -11.019 132 HD11 LEU 20 HD11 LEU 20 -5.061 -3.591 -10.646 133 HD12 LEU 20 HD12 LEU 20 -4.464 -5.252 -10.415 134 HD13 LEU 20 HD13 LEU 20 -4.249 -4.439 -11.984 135 HD21 LEU 20 HD21 LEU 20 -7.547 -4.449 -13.193 136 HD22 LEU 20 HD22 LEU 20 -5.831 -4.029 -13.410 137 HD23 LEU 20 HD23 LEU 20 -6.375 -5.705 -13.663 138 H ILE 21 H ILE 21 -5.660 -9.952 -11.273 139 HA ILE 21 HA ILE 21 -3.676 -9.802 -9.175 140 HB ILE 21 HB ILE 21 -5.669 -11.890 -10.039 141 HG12 ILE 21 HG12 ILE 21 -5.509 -10.416 -7.407 142 HG13 ILE 21 HG13 ILE 21 -6.351 -9.745 -8.789 143 HG21 ILE 21 HG21 ILE 21 -4.976 -13.131 -7.982 144 HG22 ILE 21 HG22 ILE 21 -3.764 -13.125 -9.285 145 HG23 ILE 21 HG23 ILE 21 -3.559 -12.059 -7.874 146 HD11 ILE 21 HD11 ILE 21 -6.920 -12.449 -7.490 147 HD12 ILE 21 HD12 ILE 21 -7.932 -10.988 -7.374 148 HD13 ILE 21 HD13 ILE 21 -7.748 -11.822 -8.936 149 H ARG 22 H ARG 22 -3.920 -10.708 -12.525 150 HA ARG 22 HA ARG 22 -2.047 -12.740 -12.555 151 HB2 ARG 22 HB2 ARG 22 -3.622 -11.344 -14.435 152 HB3 ARG 22 HB3 ARG 22 -1.980 -11.005 -14.945 153 HG2 ARG 22 HG2 ARG 22 -2.370 -13.015 -16.071 154 HG3 ARG 22 HG3 ARG 22 -1.614 -13.609 -14.606 155 HD2 ARG 22 HD2 ARG 22 -3.923 -13.941 -13.605 156 HD3 ARG 22 HD3 ARG 22 -4.621 -13.461 -15.140 157 HE ARG 22 HE ARG 22 -2.651 -15.637 -15.345 158 HH11 ARG 22 HH22 ARG 22 -6.073 -14.826 -14.913 159 HH12 ARG 22 HH21 ARG 22 -6.636 -16.374 -15.450 160 HH21 ARG 22 HH12 ARG 22 -3.394 -17.642 -16.042 161 HH22 ARG 22 HH11 ARG 22 -5.093 -17.984 -16.097 162 H LYS 23 H LYS 23 -0.032 -12.452 -11.597 163 HA LYS 23 HA LYS 23 1.843 -10.782 -12.839 164 HB2 LYS 23 HB2 LYS 23 0.263 -9.477 -10.829 165 HB3 LYS 23 HB3 LYS 23 1.899 -9.648 -10.227 166 HG2 LYS 23 HG2 LYS 23 1.694 -8.797 -13.083 167 HG3 LYS 23 HG3 LYS 23 1.073 -7.640 -11.922 168 HD2 LYS 23 HD2 LYS 23 3.552 -8.645 -10.866 169 HD3 LYS 23 HD3 LYS 23 3.832 -8.260 -12.552 170 HE2 LYS 23 HE2 LYS 23 2.961 -5.973 -12.226 171 HE3 LYS 23 HE3 LYS 23 2.507 -6.344 -10.575 172 HZ1 LYS 23 HZ1 LYS 23 5.085 -5.638 -11.587 173 HZ2 LYS 23 HZ2 LYS 23 4.568 -5.648 -10.043 174 HZ3 LYS 23 HZ3 LYS 23 5.114 -7.030 -10.729 175 H ALA 24 H ALA 24 3.815 -10.575 -10.949 176 HA ALA 24 HA ALA 24 4.711 -13.190 -10.734 177 HB1 ALA 24 HB1 ALA 24 6.222 -11.918 -8.903 178 HB2 ALA 24 HB2 ALA 24 6.433 -11.672 -10.653 179 HB3 ALA 24 HB3 ALA 24 5.499 -10.498 -9.695 180 H LYS 25 H LYS 25 4.374 -14.814 -9.280 181 HA LYS 25 HA LYS 25 2.295 -14.907 -7.593 182 HB2 LYS 25 HB2 LYS 25 3.451 -16.761 -6.463 183 HB3 LYS 25 HB3 LYS 25 3.595 -16.855 -8.206 184 HG2 LYS 25 HG2 LYS 25 5.818 -15.299 -7.396 185 HG3 LYS 25 HG3 LYS 25 5.702 -16.561 -6.186 186 HD2 LYS 25 HD2 LYS 25 6.849 -17.838 -7.695 187 HD3 LYS 25 HD3 LYS 25 5.295 -18.031 -8.481 188 HE2 LYS 25 HE2 LYS 25 6.455 -15.503 -9.318 189 HE3 LYS 25 HE3 LYS 25 7.651 -16.767 -9.525 190 HZ1 LYS 25 HZ1 LYS 25 4.908 -17.281 -10.452 191 HZ2 LYS 25 HZ2 LYS 25 5.872 -16.345 -11.372 192 HZ3 LYS 25 HZ3 LYS 25 6.341 -17.864 -10.985 193 H GLU 26 H GLU 26 1.662 -13.492 -6.055 194 HA GLU 26 HA GLU 26 3.271 -11.673 -4.851 195 HB2 GLU 26 HB2 GLU 26 0.562 -12.754 -4.439 196 HB3 GLU 26 HB3 GLU 26 1.280 -12.187 -2.944 197 HG2 GLU 26 HG2 GLU 26 1.980 -10.096 -4.501 198 HG3 GLU 26 HG3 GLU 26 0.599 -10.634 -5.436 199 H ALA 27 H ALA 27 4.606 -11.595 -3.036 200 HA ALA 27 HA ALA 27 4.574 -13.199 -0.856 201 HB1 ALA 27 HB1 ALA 27 5.253 -15.246 -1.480 202 HB2 ALA 27 HB2 ALA 27 5.400 -14.705 -3.170 203 HB3 ALA 27 HB3 ALA 27 6.782 -14.543 -2.060 204 HA PRO 28 HA PRO 28 8.780 -11.143 -1.500 205 HB2 PRO 28 HB2 PRO 28 9.510 -10.203 -3.960 206 HB3 PRO 28 HB3 PRO 28 9.982 -11.780 -3.357 207 HG2 PRO 28 HG2 PRO 28 7.934 -11.106 -5.380 208 HG3 PRO 28 HG3 PRO 28 8.711 -12.647 -5.076 209 HD2 PRO 28 HD2 PRO 28 6.057 -11.881 -4.303 210 HD3 PRO 28 HD3 PRO 28 6.876 -13.376 -3.898 211 H PHE 29 H PHE 29 9.269 -9.113 -0.773 212 HA PHE 29 HA PHE 29 7.102 -7.248 -1.240 213 HB2 PHE 29 HB2 PHE 29 8.139 -6.106 0.684 214 HB3 PHE 29 HB3 PHE 29 8.123 -7.821 1.044 215 HD1 PHE 29 HD2 PHE 29 10.199 -9.115 1.030 216 HD2 PHE 29 HD1 PHE 29 10.220 -4.940 0.273 217 HE1 PHE 29 HE2 PHE 29 12.678 -9.057 1.419 218 HE2 PHE 29 HE1 PHE 29 12.699 -4.882 0.663 219 HZ PHE 29 HZ PHE 29 13.898 -6.941 1.231 220 H VAL 30 H VAL 30 10.123 -8.006 -2.632 221 HA VAL 30 HA VAL 30 11.389 -5.634 -3.024 222 HB VAL 30 HB VAL 30 11.180 -8.224 -4.358 223 HG11 VAL 30 HG11 VAL 30 10.628 -6.973 -6.333 224 HG12 VAL 30 HG12 VAL 30 11.905 -5.778 -6.001 225 HG13 VAL 30 HG13 VAL 30 12.340 -7.446 -6.447 226 HG21 VAL 30 HG21 VAL 30 13.746 -7.337 -4.689 227 HG22 VAL 30 HG22 VAL 30 13.224 -6.385 -3.279 228 HG23 VAL 30 HG23 VAL 30 13.136 -8.162 -3.235 229 HA PRO 31 HA PRO 31 8.371 -4.678 -6.537 230 HB2 PRO 31 HB2 PRO 31 6.133 -6.206 -6.887 231 HB3 PRO 31 HB3 PRO 31 7.615 -6.457 -7.787 232 HG2 PRO 31 HG2 PRO 31 6.513 -8.047 -5.552 233 HG3 PRO 31 HG3 PRO 31 7.734 -8.500 -6.724 234 HD2 PRO 31 HD2 PRO 31 8.176 -7.730 -3.997 235 HD3 PRO 31 HD3 PRO 31 9.402 -8.072 -5.202 236 H VAL 32 H VAL 32 7.274 -5.639 -3.459 237 HA VAL 32 HA VAL 32 4.917 -4.075 -3.466 238 HB VAL 32 HB VAL 32 6.642 -5.198 -1.251 239 HG11 VAL 32 HG11 VAL 32 4.056 -3.664 -1.185 240 HG12 VAL 32 HG12 VAL 32 4.367 -4.932 0.025 241 HG13 VAL 32 HG13 VAL 32 5.475 -3.547 -0.117 242 HG21 VAL 32 HG21 VAL 32 5.566 -6.827 -2.835 243 HG22 VAL 32 HG22 VAL 32 5.052 -6.993 -1.139 244 HG23 VAL 32 HG23 VAL 32 3.983 -6.196 -2.319 245 H GLY 33 H GLY 33 8.290 -3.555 -2.246 246 HA2 GLY 33 HA2 GLY 33 7.767 -0.912 -1.324 247 HA3 GLY 33 HA3 GLY 33 9.328 -1.678 -1.542 248 H ILE 34 H ILE 34 9.260 -2.334 -4.308 249 HA ILE 34 HA ILE 34 10.036 0.097 -5.425 250 HB ILE 34 HB ILE 34 9.401 -2.609 -6.583 251 HG12 ILE 34 HG12 ILE 34 11.389 -2.292 -5.062 252 HG13 ILE 34 HG13 ILE 34 11.742 -2.930 -6.656 253 HG21 ILE 34 HG21 ILE 34 9.073 -1.498 -8.525 254 HG22 ILE 34 HG22 ILE 34 9.947 -0.047 -7.978 255 HG23 ILE 34 HG23 ILE 34 10.852 -1.473 -8.539 256 HD11 ILE 34 HD11 ILE 34 12.174 -0.090 -5.652 257 HD12 ILE 34 HD12 ILE 34 13.390 -1.236 -6.266 258 HD13 ILE 34 HD13 ILE 34 12.216 -0.500 -7.384 259 H ALA 35 H ALA 35 7.209 -1.959 -6.432 260 HA ALA 35 HA ALA 35 6.005 0.062 -7.912 261 HB1 ALA 35 HB1 ALA 35 4.253 -1.464 -8.167 262 HB2 ALA 35 HB2 ALA 35 5.622 -2.533 -7.776 263 HB3 ALA 35 HB3 ALA 35 4.437 -2.107 -6.517 264 H GLY 36 H GLY 36 5.127 -1.175 -4.602 265 HA2 GLY 36 HA2 GLY 36 3.155 0.495 -3.888 266 HA3 GLY 36 HA3 GLY 36 4.417 -0.019 -2.786 267 H PHE 37 H PHE 37 6.669 1.277 -3.320 268 HA PHE 37 HA PHE 37 6.326 3.810 -2.390 269 HB2 PHE 37 HB2 PHE 37 8.479 2.565 -2.482 270 HB3 PHE 37 HB3 PHE 37 8.430 2.534 -4.233 271 HD1 PHE 37 HD2 PHE 37 8.337 5.078 -1.492 272 HD2 PHE 37 HD1 PHE 37 9.809 4.012 -5.327 273 HE1 PHE 37 HE2 PHE 37 9.678 7.198 -1.566 274 HE2 PHE 37 HE1 PHE 37 11.150 6.133 -5.401 275 HZ PHE 37 HZ PHE 37 11.069 7.700 -3.520 276 H ALA 38 H ALA 38 6.859 2.821 -5.849 277 HA ALA 38 HA ALA 38 6.815 5.319 -6.970 278 HB1 ALA 38 HB1 ALA 38 7.245 3.887 -8.656 279 HB2 ALA 38 HB2 ALA 38 6.464 2.537 -7.799 280 HB3 ALA 38 HB3 ALA 38 5.486 3.650 -8.785 281 H ALA 39 H ALA 39 3.983 3.065 -6.571 282 HA ALA 39 HA ALA 39 2.034 4.727 -7.492 283 HB1 ALA 39 HB1 ALA 39 1.978 2.726 -5.198 284 HB2 ALA 39 HB2 ALA 39 0.529 3.412 -5.972 285 HB3 ALA 39 HB3 ALA 39 1.647 2.398 -6.916 286 H ILE 40 H ILE 40 3.038 4.376 -4.009 287 HA ILE 40 HA ILE 40 1.505 6.278 -2.897 288 HB ILE 40 HB ILE 40 4.367 5.518 -2.361 289 HG12 ILE 40 HG12 ILE 40 2.753 3.740 -2.034 290 HG13 ILE 40 HG13 ILE 40 3.380 4.276 -0.488 291 HG21 ILE 40 HG21 ILE 40 4.591 7.323 -1.081 292 HG22 ILE 40 HG22 ILE 40 2.882 7.774 -1.288 293 HG23 ILE 40 HG23 ILE 40 3.350 6.621 -0.015 294 HD11 ILE 40 HD11 ILE 40 0.646 4.752 -1.692 295 HD12 ILE 40 HD12 ILE 40 1.071 4.168 -0.065 296 HD13 ILE 40 HD13 ILE 40 1.283 5.886 -0.477 297 H VAL 41 H VAL 41 4.798 6.921 -4.302 298 HA VAL 41 HA VAL 41 4.882 9.600 -4.001 299 HB VAL 41 HB VAL 41 5.803 7.816 -6.249 300 HG11 VAL 41 HG11 VAL 41 7.159 9.600 -7.127 301 HG12 VAL 41 HG12 VAL 41 5.471 10.164 -7.069 302 HG13 VAL 41 HG13 VAL 41 6.633 10.706 -5.834 303 HG21 VAL 41 HG21 VAL 41 7.273 7.247 -4.650 304 HG22 VAL 41 HG22 VAL 41 8.007 8.843 -4.938 305 HG23 VAL 41 HG23 VAL 41 6.829 8.631 -3.622 306 H ALA 42 H ALA 42 3.271 7.797 -6.703 307 HA ALA 42 HA ALA 42 2.392 10.039 -8.083 308 HB1 ALA 42 HB1 ALA 42 2.429 7.517 -8.711 309 HB2 ALA 42 HB2 ALA 42 0.846 7.443 -7.900 310 HB3 ALA 42 HB3 ALA 42 1.077 8.511 -9.305 311 H TYR 43 H TYR 43 0.538 7.940 -5.756 312 HA TYR 43 HA TYR 43 -1.768 9.317 -5.621 313 HB2 TYR 43 HB2 TYR 43 -0.547 7.267 -4.286 314 HB3 TYR 43 HB3 TYR 43 -0.313 8.507 -3.069 315 HD1 TYR 43 HD1 TYR 43 -2.864 6.579 -4.941 316 HD2 TYR 43 HD2 TYR 43 -2.134 9.276 -1.701 317 HE1 TYR 43 HE1 TYR 43 -5.212 6.165 -4.058 318 HE2 TYR 43 HE2 TYR 43 -4.485 8.853 -0.829 319 HH TYR 43 HH TYR 43 -6.172 6.555 -1.244 320 H GLY 44 H GLY 44 1.061 9.950 -3.417 321 HA2 GLY 44 HA2 GLY 44 0.037 12.169 -2.137 322 HA3 GLY 44 HA3 GLY 44 1.738 11.833 -2.394 323 H LEU 45 H LEU 45 2.063 12.016 -5.153 324 HA LEU 45 HA LEU 45 2.351 14.699 -5.570 325 HB2 LEU 45 HB2 LEU 45 3.464 12.893 -6.811 326 HB3 LEU 45 HB3 LEU 45 1.961 12.526 -7.633 327 HG LEU 45 HG LEU 45 2.031 14.971 -8.465 328 HD11 LEU 45 HD11 LEU 45 4.482 14.863 -6.926 329 HD12 LEU 45 HD12 LEU 45 4.807 15.275 -8.627 330 HD13 LEU 45 HD13 LEU 45 3.663 16.254 -7.677 331 HD21 LEU 45 HD21 LEU 45 2.885 14.235 -10.439 332 HD22 LEU 45 HD22 LEU 45 4.282 13.441 -9.675 333 HD23 LEU 45 HD23 LEU 45 2.682 12.663 -9.629 334 H TYR 46 H TYR 46 -0.373 12.558 -6.633 335 HA TYR 46 HA TYR 46 -1.811 14.686 -7.821 336 HB2 TYR 46 HB2 TYR 46 -2.150 11.804 -6.946 337 HB3 TYR 46 HB3 TYR 46 -3.635 12.700 -7.194 338 HD1 TYR 46 HD1 TYR 46 -3.867 13.946 -9.495 339 HD2 TYR 46 HD2 TYR 46 -1.109 10.759 -8.760 340 HE1 TYR 46 HE1 TYR 46 -3.715 13.492 -11.992 341 HE2 TYR 46 HE2 TYR 46 -0.966 10.316 -11.260 342 HH TYR 46 HH TYR 46 -1.838 12.430 -13.516 343 H LYS 47 H LYS 47 -1.828 13.118 -4.578 344 HA LYS 47 HA LYS 47 -4.146 14.168 -3.579 345 HB2 LYS 47 HB2 LYS 47 -2.822 12.500 -2.417 346 HB3 LYS 47 HB3 LYS 47 -1.506 13.634 -2.190 347 HG2 LYS 47 HG2 LYS 47 -4.007 14.787 -1.208 348 HG3 LYS 47 HG3 LYS 47 -3.736 13.219 -0.473 349 HD2 LYS 47 HD2 LYS 47 -2.008 13.994 0.795 350 HD3 LYS 47 HD3 LYS 47 -1.253 14.788 -0.572 351 HE2 LYS 47 HE2 LYS 47 -3.697 16.206 0.171 352 HE3 LYS 47 HE3 LYS 47 -2.666 16.019 1.576 353 HZ1 LYS 47 HZ1 LYS 47 -1.525 17.750 0.725 354 HZ2 LYS 47 HZ2 LYS 47 -0.933 16.747 -0.413 355 HZ3 LYS 47 HZ3 LYS 47 -2.286 17.618 -0.718 356 H LEU 48 H LEU 48 -0.912 15.713 -3.917 357 HA LEU 48 HA LEU 48 -1.214 17.954 -2.461 358 HB2 LEU 48 HB2 LEU 48 0.813 17.577 -3.554 359 HB3 LEU 48 HB3 LEU 48 0.061 17.452 -5.131 360 HG LEU 48 HG LEU 48 -0.553 19.952 -4.814 361 HD11 LEU 48 HD11 LEU 48 0.951 21.231 -3.384 362 HD12 LEU 48 HD12 LEU 48 -0.010 20.079 -2.426 363 HD13 LEU 48 HD13 LEU 48 1.696 19.726 -2.793 364 HD21 LEU 48 HD21 LEU 48 1.488 18.651 -6.099 365 HD22 LEU 48 HD22 LEU 48 1.104 20.382 -6.254 366 HD23 LEU 48 HD23 LEU 48 2.367 19.848 -5.118 367 H LYS 49 H LYS 49 -2.214 17.714 -5.953 368 HA LYS 49 HA LYS 49 -3.533 20.138 -6.013 369 HB2 LYS 49 HB2 LYS 49 -3.132 17.888 -7.726 370 HB3 LYS 49 HB3 LYS 49 -4.839 18.279 -7.753 371 HG2 LYS 49 HG2 LYS 49 -3.920 20.794 -7.954 372 HG3 LYS 49 HG3 LYS 49 -2.487 19.989 -8.563 373 HD2 LYS 49 HD2 LYS 49 -4.247 18.660 -10.072 374 HD3 LYS 49 HD3 LYS 49 -5.276 20.037 -9.733 375 HE2 LYS 49 HE2 LYS 49 -3.012 21.380 -10.413 376 HE3 LYS 49 HE3 LYS 49 -2.730 19.912 -11.327 377 HZ1 LYS 49 HZ1 LYS 49 -5.026 21.760 -11.580 378 HZ2 LYS 49 HZ2 LYS 49 -3.983 21.300 -12.743 379 HZ3 LYS 49 HZ3 LYS 49 -5.061 20.225 -12.145 380 H SER 50 H SER 50 -5.464 20.892 -5.270 381 HA SER 50 HA SER 50 -6.860 19.270 -3.450 382 HB2 SER 50 HB2 SER 50 -6.578 21.973 -3.826 383 HB3 SER 50 HB3 SER 50 -8.183 21.737 -4.490 384 HG SER 50 HG SER 50 -7.274 21.003 -1.839 385 H ARG 51 H ARG 51 -7.756 20.770 -6.646 386 HA ARG 51 HA ARG 51 -10.158 19.275 -6.720 387 HB2 ARG 51 HB2 ARG 51 -9.518 21.614 -7.828 388 HB3 ARG 51 HB3 ARG 51 -8.935 20.622 -9.149 389 HG2 ARG 51 HG2 ARG 51 -11.118 20.828 -9.865 390 HG3 ARG 51 HG3 ARG 51 -11.349 19.441 -8.820 391 HD2 ARG 51 HD2 ARG 51 -12.495 20.657 -7.219 392 HD3 ARG 51 HD3 ARG 51 -11.512 22.090 -7.446 393 HE ARG 51 HE ARG 51 -13.125 22.882 -8.927 394 HH11 ARG 51 HH22 ARG 51 -13.356 19.347 -8.841 395 HH12 ARG 51 HH21 ARG 51 -14.729 19.287 -9.895 396 HH21 ARG 51 HH12 ARG 51 -14.908 22.790 -10.296 397 HH22 ARG 51 HH11 ARG 51 -15.614 21.266 -10.727 398 H GLY 52 H GLY 52 -9.990 17.055 -7.006 399 HA2 GLY 52 HA2 GLY 52 -9.401 15.838 -9.350 400 HA3 GLY 52 HA3 GLY 52 -7.840 15.916 -8.557 401 H ASN 53 H ASN 53 -11.261 15.297 -7.465 402 HA ASN 53 HA ASN 53 -12.033 13.874 -5.994 403 HB2 ASN 53 HB2 ASN 53 -11.417 11.411 -6.548 404 HB3 ASN 53 HB3 ASN 53 -12.112 12.355 -7.851 405 HD21 ASN 53 HD21 ASN 53 -9.456 10.554 -6.747 406 HD22 ASN 53 HD22 ASN 53 -8.372 10.786 -8.078 407 H THR 54 H THR 54 -10.987 14.600 -4.014 408 HA THR 54 HA THR 54 -9.289 12.684 -2.795 409 HB THR 54 HB THR 54 -7.622 13.868 -4.264 410 HG1 THR 54 HG1 THR 54 -6.246 14.049 -2.446 411 HG21 THR 54 HG21 THR 54 -8.727 16.148 -4.250 412 HG22 THR 54 HG22 THR 54 -8.332 16.285 -2.520 413 HG23 THR 54 HG23 THR 54 -7.026 16.205 -3.727 414 H LYS 55 H LYS 55 -9.232 12.899 -0.551 415 HA LYS 55 HA LYS 55 -10.257 15.321 0.615 416 HB2 LYS 55 HB2 LYS 55 -12.068 13.214 -0.035 417 HB3 LYS 55 HB3 LYS 55 -11.879 13.226 1.707 418 HG2 LYS 55 HG2 LYS 55 -12.601 15.492 1.900 419 HG3 LYS 55 HG3 LYS 55 -12.303 15.830 0.206 420 HD2 LYS 55 HD2 LYS 55 -14.266 13.641 0.701 421 HD3 LYS 55 HD3 LYS 55 -14.778 15.217 1.272 422 HE2 LYS 55 HE2 LYS 55 -14.468 16.202 -0.949 423 HE3 LYS 55 HE3 LYS 55 -13.709 14.741 -1.548 424 HZ1 LYS 55 HZ1 LYS 55 -15.740 13.618 -1.551 425 HZ2 LYS 55 HZ2 LYS 55 -16.445 14.599 -0.459 426 HZ3 LYS 55 HZ3 LYS 55 -16.165 15.139 -1.978 427 H MET 56 H MET 56 -7.794 14.802 1.034 428 HA MET 56 HA MET 56 -7.707 13.125 3.423 429 HB2 MET 56 HB2 MET 56 -6.239 12.822 1.106 430 HB3 MET 56 HB3 MET 56 -5.172 13.892 1.993 431 HG2 MET 56 HG2 MET 56 -4.384 11.968 2.957 432 HG3 MET 56 HG3 MET 56 -5.811 12.076 3.968 433 HE1 MET 56 HE1 MET 56 -7.420 9.030 3.611 434 HE2 MET 56 HE2 MET 56 -7.258 10.662 4.303 435 HE3 MET 56 HE3 MET 56 -8.359 10.381 2.933 436 H SER 57 H SER 57 -7.858 14.465 5.186 437 HA SER 57 HA SER 57 -5.792 16.296 5.640 438 HB2 SER 57 HB2 SER 57 -7.176 17.696 4.101 439 HB3 SER 57 HB3 SER 57 -8.556 17.500 5.164 440 HG SER 57 HG SER 57 -6.926 18.411 6.869 441 H ILE 58 H ILE 58 -5.569 15.122 7.596 442 HA ILE 58 HA ILE 58 -7.400 15.889 9.657 443 HB ILE 58 HB ILE 58 -8.503 13.925 8.555 444 HG12 ILE 58 HG12 ILE 58 -8.295 12.713 11.076 445 HG13 ILE 58 HG13 ILE 58 -7.975 14.411 11.372 446 HG21 ILE 58 HG21 ILE 58 -7.258 11.740 9.635 447 HG22 ILE 58 HG22 ILE 58 -7.127 12.269 7.940 448 HG23 ILE 58 HG23 ILE 58 -5.875 12.735 9.117 449 HD11 ILE 58 HD11 ILE 58 -10.093 14.633 9.650 450 HD12 ILE 58 HD12 ILE 58 -10.478 13.085 10.439 451 HD13 ILE 58 HD13 ILE 58 -10.266 14.555 11.420 452 H HIS 59 H HIS 59 -6.433 15.757 11.718 453 HA HIS 59 HA HIS 59 -4.842 15.419 13.215 454 HB2 HIS 59 HB2 HIS 59 -4.397 13.266 11.480 455 HB3 HIS 59 HB3 HIS 59 -2.822 14.013 11.657 456 HD1 HIS 59 HD1 HIS 59 -4.250 11.256 12.983 457 HD2 HIS 59 HD2 HIS 59 -2.898 14.757 14.858 458 HE1 HIS 59 HE1 HIS 59 -3.793 10.634 15.415 459 H LEU 60 H LEU 60 -2.139 15.728 13.261 460 HA LEU 60 HA LEU 60 -1.848 18.304 11.925 461 HB2 LEU 60 HB2 LEU 60 -1.257 17.320 14.506 462 HB3 LEU 60 HB3 LEU 60 0.283 17.643 13.734 463 HG LEU 60 HG LEU 60 -1.312 19.889 13.155 464 HD11 LEU 60 HD11 LEU 60 -2.615 20.413 14.893 465 HD12 LEU 60 HD12 LEU 60 -2.519 18.685 15.311 466 HD13 LEU 60 HD13 LEU 60 -1.418 19.850 16.084 467 HD21 LEU 60 HD21 LEU 60 0.558 20.058 15.447 468 HD22 LEU 60 HD22 LEU 60 1.225 19.404 13.931 469 HD23 LEU 60 HD23 LEU 60 0.473 21.018 13.949 470 H ILE 61 H ILE 61 -1.705 16.756 9.897 471 HA ILE 61 HA ILE 61 1.160 16.271 9.503 472 HB ILE 61 HB ILE 61 0.569 14.320 8.115 473 HG12 ILE 61 HG12 ILE 61 -2.071 13.912 9.319 474 HG13 ILE 61 HG13 ILE 61 -2.023 15.298 8.247 475 HG21 ILE 61 HG21 ILE 61 1.377 13.625 10.138 476 HG22 ILE 61 HG22 ILE 61 0.089 14.433 11.063 477 HG23 ILE 61 HG23 ILE 61 -0.254 12.916 10.197 478 HD11 ILE 61 HD11 ILE 61 -1.784 14.002 6.385 479 HD12 ILE 61 HD12 ILE 61 -0.582 12.947 7.167 480 HD13 ILE 61 HD13 ILE 61 -2.320 12.665 7.431 481 H HIS 62 H HIS 62 0.435 18.707 8.897 482 HA HIS 62 HA HIS 62 -0.816 18.867 6.333 483 HB2 HIS 62 HB2 HIS 62 -0.844 20.564 8.308 484 HB3 HIS 62 HB3 HIS 62 0.701 21.095 7.675 485 HD1 HIS 62 HD1 HIS 62 -2.574 22.201 7.574 486 HD2 HIS 62 HD2 HIS 62 0.185 21.362 4.528 487 HE1 HIS 62 HE1 HIS 62 -3.359 23.497 5.522 488 H MET 63 H MET 63 1.012 17.100 5.737 489 HA MET 63 HA MET 63 2.813 18.580 4.087 490 HB2 MET 63 HB2 MET 63 3.667 17.355 6.615 491 HB3 MET 63 HB3 MET 63 4.476 16.567 5.275 492 HG2 MET 63 HG2 MET 63 4.407 19.516 4.996 493 HG3 MET 63 HG3 MET 63 5.243 18.990 6.443 494 HE1 MET 63 HE1 MET 63 6.539 20.337 3.407 495 HE2 MET 63 HE2 MET 63 6.712 18.996 2.250 496 HE3 MET 63 HE3 MET 63 5.100 19.450 2.852 497 H ARG 64 H ARG 64 4.284 16.826 2.822 498 HA ARG 64 HA ARG 64 2.429 14.680 2.176 499 HB2 ARG 64 HB2 ARG 64 3.817 16.633 0.529 500 HB3 ARG 64 HB3 ARG 64 4.364 15.031 0.076 501 HG2 ARG 64 HG2 ARG 64 2.325 14.433 -0.800 502 HG3 ARG 64 HG3 ARG 64 1.426 15.216 0.484 503 HD2 ARG 64 HD2 ARG 64 0.892 16.777 -1.103 504 HD3 ARG 64 HD3 ARG 64 2.499 17.412 -0.811 505 HE ARG 64 HE ARG 64 1.633 15.825 -3.139 506 HH11 ARG 64 HH22 ARG 64 4.390 17.091 -1.308 507 HH12 ARG 64 HH21 ARG 64 5.494 16.952 -2.635 508 HH21 ARG 64 HH12 ARG 64 3.078 15.650 -4.854 509 HH22 ARG 64 HH11 ARG 64 4.734 16.125 -4.666 510 H VAL 65 H VAL 65 5.967 15.451 1.728 511 HA VAL 65 HA VAL 65 6.859 12.859 1.649 512 HB VAL 65 HB VAL 65 8.157 15.399 2.639 513 HG11 VAL 65 HG11 VAL 65 9.136 12.644 2.717 514 HG12 VAL 65 HG12 VAL 65 10.194 13.722 1.775 515 HG13 VAL 65 HG13 VAL 65 9.799 14.117 3.465 516 HG21 VAL 65 HG21 VAL 65 9.357 14.775 0.282 517 HG22 VAL 65 HG22 VAL 65 7.722 14.132 -0.004 518 HG23 VAL 65 HG23 VAL 65 7.942 15.844 0.430 519 H ALA 66 H ALA 66 6.806 15.062 4.545 520 HA ALA 66 HA ALA 66 7.661 13.249 6.399 521 HB1 ALA 66 HB1 ALA 66 7.003 14.836 7.937 522 HB2 ALA 66 HB2 ALA 66 6.935 15.825 6.459 523 HB3 ALA 66 HB3 ALA 66 5.443 15.128 7.133 524 H ALA 67 H ALA 67 4.192 14.018 5.605 525 HA ALA 67 HA ALA 67 3.051 12.073 7.163 526 HB1 ALA 67 HB1 ALA 67 1.331 13.251 6.313 527 HB2 ALA 67 HB2 ALA 67 2.315 13.814 4.940 528 HB3 ALA 67 HB3 ALA 67 1.469 12.250 4.847 529 H GLN 68 H GLN 68 4.784 11.802 4.079 530 HA GLN 68 HA GLN 68 3.782 9.269 3.425 531 HB2 GLN 68 HB2 GLN 68 5.236 11.152 2.099 532 HB3 GLN 68 HB3 GLN 68 6.529 10.046 2.520 533 HG2 GLN 68 HG2 GLN 68 5.111 8.151 1.552 534 HG3 GLN 68 HG3 GLN 68 3.980 9.363 0.984 535 HE21 GLN 68 HE21 GLN 68 4.198 9.513 -1.116 536 HE22 GLN 68 HE22 GLN 68 5.673 9.709 -2.003 537 H GLY 69 H GLY 69 6.635 10.450 5.275 538 HA2 GLY 69 HA2 GLY 69 7.919 7.962 5.576 539 HA3 GLY 69 HA3 GLY 69 8.125 9.384 6.579 540 H PHE 70 H PHE 70 5.568 9.777 7.671 541 HA PHE 70 HA PHE 70 5.581 7.896 9.735 542 HB2 PHE 70 HB2 PHE 70 4.689 10.370 9.530 543 HB3 PHE 70 HB3 PHE 70 3.257 9.670 8.802 544 HD1 PHE 70 HD2 PHE 70 5.302 9.658 11.895 545 HD2 PHE 70 HD1 PHE 70 1.536 8.795 10.141 546 HE1 PHE 70 HE2 PHE 70 4.325 9.284 14.177 547 HE2 PHE 70 HE1 PHE 70 0.559 8.420 12.422 548 HZ PHE 70 HZ PHE 70 1.965 8.669 14.413 549 H VAL 71 H VAL 71 3.651 8.194 6.720 550 HA VAL 71 HA VAL 71 1.751 6.239 7.415 551 HB VAL 71 HB VAL 71 2.708 7.444 4.825 552 HG11 VAL 71 HG11 VAL 71 0.539 6.381 3.896 553 HG12 VAL 71 HG12 VAL 71 1.983 5.353 4.061 554 HG13 VAL 71 HG13 VAL 71 0.678 5.255 5.268 555 HG21 VAL 71 HG21 VAL 71 -0.091 7.750 5.730 556 HG22 VAL 71 HG22 VAL 71 1.132 8.495 6.788 557 HG23 VAL 71 HG23 VAL 71 1.044 8.952 5.070 558 H VAL 72 H VAL 72 4.606 6.074 5.163 559 HA VAL 72 HA VAL 72 4.500 3.379 4.690 560 HB VAL 72 HB VAL 72 6.808 3.572 4.041 561 HG11 VAL 72 HG11 VAL 72 6.079 4.674 2.246 562 HG12 VAL 72 HG12 VAL 72 4.736 5.357 3.193 563 HG13 VAL 72 HG13 VAL 72 6.292 6.217 3.108 564 HG21 VAL 72 HG21 VAL 72 8.206 5.475 4.561 565 HG22 VAL 72 HG22 VAL 72 6.872 6.270 5.431 566 HG23 VAL 72 HG23 VAL 72 7.593 4.778 6.080 567 H GLY 73 H GLY 73 5.697 5.157 7.543 568 HA2 GLY 73 HA2 GLY 73 7.157 3.088 8.745 569 HA3 GLY 73 HA3 GLY 73 6.415 4.455 9.553 570 H ALA 74 H ALA 74 3.778 4.236 9.484 571 HA ALA 74 HA ALA 74 3.176 2.168 11.223 572 HB1 ALA 74 HB1 ALA 74 0.808 2.842 10.748 573 HB2 ALA 74 HB2 ALA 74 1.877 4.222 11.093 574 HB3 ALA 74 HB3 ALA 74 1.404 3.861 9.416 575 H MET 75 H MET 75 2.923 2.419 7.646 576 HA MET 75 HA MET 75 1.474 0.056 7.337 577 HB2 MET 75 HB2 MET 75 2.108 2.094 5.697 578 HB3 MET 75 HB3 MET 75 3.461 1.066 5.269 579 HG2 MET 75 HG2 MET 75 1.233 -0.676 5.228 580 HG3 MET 75 HG3 MET 75 0.629 0.810 4.522 581 HE1 MET 75 HE1 MET 75 1.586 0.582 1.091 582 HE2 MET 75 HE2 MET 75 0.484 -0.578 1.870 583 HE3 MET 75 HE3 MET 75 0.526 1.115 2.417 584 H THR 76 H THR 76 4.947 0.778 7.689 585 HA THR 76 HA THR 76 5.886 -1.721 6.748 586 HB THR 76 HB THR 76 7.022 0.502 8.513 587 HG1 THR 76 HG1 THR 76 8.126 0.834 6.428 588 HG21 THR 76 HG21 THR 76 9.259 -0.551 7.883 589 HG22 THR 76 HG22 THR 76 8.326 -1.502 9.062 590 HG23 THR 76 HG23 THR 76 8.362 -1.994 7.352 591 H VAL 77 H VAL 77 5.292 -0.452 10.092 592 HA VAL 77 HA VAL 77 5.984 -2.852 11.346 593 HB VAL 77 HB VAL 77 4.803 -1.885 13.274 594 HG11 VAL 77 HG11 VAL 77 7.107 -0.999 12.084 595 HG12 VAL 77 HG12 VAL 77 6.185 0.514 12.257 596 HG13 VAL 77 HG13 VAL 77 6.524 -0.490 13.687 597 HG21 VAL 77 HG21 VAL 77 2.887 -0.886 12.158 598 HG22 VAL 77 HG22 VAL 77 3.768 0.361 13.074 599 HG23 VAL 77 HG23 VAL 77 3.946 0.263 11.305 600 H GLY 78 H GLY 78 2.798 -1.505 10.270 601 HA2 GLY 78 HA2 GLY 78 1.165 -3.538 11.214 602 HA3 GLY 78 HA3 GLY 78 0.843 -2.519 9.825 603 H MET 79 H MET 79 2.804 -3.204 7.983 604 HA MET 79 HA MET 79 1.781 -5.548 6.947 605 HB2 MET 79 HB2 MET 79 4.125 -3.722 6.400 606 HB3 MET 79 HB3 MET 79 4.160 -5.291 5.620 607 HG2 MET 79 HG2 MET 79 1.590 -3.718 5.470 608 HG3 MET 79 HG3 MET 79 2.935 -3.168 4.491 609 HE1 MET 79 HE1 MET 79 0.055 -5.031 4.840 610 HE2 MET 79 HE2 MET 79 0.019 -4.625 3.108 611 HE3 MET 79 HE3 MET 79 0.028 -6.329 3.623 612 H GLY 80 H GLY 80 4.941 -4.896 8.610 613 HA2 GLY 80 HA2 GLY 80 6.129 -7.353 8.393 614 HA3 GLY 80 HA3 GLY 80 6.305 -6.270 9.759 615 H TYR 81 H TYR 81 3.691 -6.255 10.847 616 HA TYR 81 HA TYR 81 3.708 -8.815 12.139 617 HB2 TYR 81 HB2 TYR 81 1.957 -6.281 12.205 618 HB3 TYR 81 HB3 TYR 81 1.723 -7.613 13.319 619 HD1 TYR 81 HD1 TYR 81 4.333 -8.369 14.238 620 HD2 TYR 81 HD2 TYR 81 2.874 -4.458 13.301 621 HE1 TYR 81 HE1 TYR 81 6.046 -7.345 15.812 622 HE2 TYR 81 HE2 TYR 81 4.592 -3.447 14.879 623 HH TYR 81 HH TYR 81 6.936 -5.520 16.558 624 H SER 82 H SER 82 2.102 -7.374 9.395 625 HA SER 82 HA SER 82 0.275 -7.891 8.282 626 HB2 SER 82 HB2 SER 82 2.161 -9.950 8.177 627 HB3 SER 82 HB3 SER 82 0.665 -10.812 8.475 628 HG SER 82 HG SER 82 -0.046 -9.103 6.626 629 H MET 83 H MET 83 -0.561 -7.383 10.852 630 HA MET 83 HA MET 83 -2.353 -7.612 12.081 631 HB2 MET 83 HB2 MET 83 -3.023 -9.132 9.755 632 HB3 MET 83 HB3 MET 83 -3.444 -10.168 11.104 633 HG2 MET 83 HG2 MET 83 -4.393 -7.630 11.890 634 HG3 MET 83 HG3 MET 83 -4.751 -7.696 10.176 635 HE1 MET 83 HE1 MET 83 -5.784 -8.612 13.624 636 HE2 MET 83 HE2 MET 83 -6.554 -10.214 13.524 637 HE3 MET 83 HE3 MET 83 -4.787 -10.064 13.367 638 H TYR 84 H TYR 84 -1.182 -10.964 11.264 639 HA TYR 84 HA TYR 84 -1.148 -11.517 14.147 640 HB2 TYR 84 HB2 TYR 84 -1.803 -12.906 11.602 641 HB3 TYR 84 HB3 TYR 84 -0.656 -13.839 12.543 642 HD1 TYR 84 HD2 TYR 84 -3.721 -11.809 13.348 643 HD2 TYR 84 HD1 TYR 84 -1.654 -15.532 13.760 644 HE1 TYR 84 HE2 TYR 84 -5.620 -12.714 14.776 645 HE2 TYR 84 HE1 TYR 84 -3.559 -16.424 15.188 646 HH TYR 84 HH TYR 84 -6.202 -15.756 15.280 647 H ARG 85 H ARG 85 0.779 -11.660 15.182 648 HA ARG 85 HA ARG 85 3.108 -10.950 14.197 649 HB2 ARG 85 HB2 ARG 85 2.203 -12.455 16.507 650 HB3 ARG 85 HB3 ARG 85 3.711 -13.155 15.954 651 HG2 ARG 85 HG2 ARG 85 4.137 -10.362 15.796 652 HG3 ARG 85 HG3 ARG 85 3.239 -10.580 17.285 653 HD2 ARG 85 HD2 ARG 85 5.711 -12.229 16.577 654 HD3 ARG 85 HD3 ARG 85 5.785 -10.748 17.510 655 HE ARG 85 HE ARG 85 3.853 -12.268 18.822 656 HH11 ARG 85 HH22 ARG 85 7.239 -12.794 17.921 657 HH12 ARG 85 HH21 ARG 85 7.557 -13.857 19.252 658 HH21 ARG 85 HH12 ARG 85 4.280 -13.650 20.544 659 HH22 ARG 85 HH11 ARG 85 5.856 -14.343 20.752 660 H GLU 86 H GLU 86 4.852 -11.831 13.008 661 HA GLU 86 HA GLU 86 4.735 -14.639 12.378 662 HB2 GLU 86 HB2 GLU 86 3.698 -12.725 10.574 663 HB3 GLU 86 HB3 GLU 86 5.283 -13.118 9.937 664 HG2 GLU 86 HG2 GLU 86 4.753 -15.514 9.920 665 HG3 GLU 86 HG3 GLU 86 3.239 -15.232 10.756 666 H PHE 87 H PHE 87 6.706 -15.052 13.386 667 HA PHE 87 HA PHE 87 8.894 -13.274 13.163 668 HB2 PHE 87 HB2 PHE 87 8.071 -15.456 14.719 669 HB3 PHE 87 HB3 PHE 87 9.324 -16.191 13.738 670 HD1 PHE 87 HD2 PHE 87 8.757 -13.168 15.854 671 HD2 PHE 87 HD1 PHE 87 11.509 -16.092 14.482 672 HE1 PHE 87 HE2 PHE 87 10.508 -12.245 17.397 673 HE2 PHE 87 HE1 PHE 87 13.260 -15.169 16.025 674 HZ PHE 87 HZ PHE 87 12.738 -13.256 17.465 675 H TRP 88 H TRP 88 9.454 -12.893 10.986 676 HA TRP 88 HA TRP 88 11.231 -14.683 9.829 677 HB2 TRP 88 HB2 TRP 88 9.439 -16.153 9.321 678 HB3 TRP 88 HB3 TRP 88 8.429 -14.849 8.730 679 HD1 TRP 88 HD1 TRP 88 8.547 -14.411 6.138 680 HE1 TRP 88 HE1 TRP 88 9.994 -15.215 4.082 681 HE3 TRP 88 HE3 TRP 88 12.024 -16.901 8.888 682 HZ2 TRP 88 HZ2 TRP 88 12.377 -16.767 3.843 683 HZ3 TRP 88 HZ3 TRP 88 13.878 -18.033 7.666 684 HH2 TRP 88 HH2 TRP 88 14.087 -17.994 5.231 685 H ALA 89 H ALA 89 12.551 -12.982 9.272 686 HA ALA 89 HA ALA 89 11.355 -10.950 7.525 687 HB1 ALA 89 HB1 ALA 89 13.119 -10.585 9.966 688 HB2 ALA 89 HB2 ALA 89 12.997 -9.346 8.694 689 HB3 ALA 89 HB3 ALA 89 11.549 -9.827 9.609 690 H LYS 90 H LYS 90 14.550 -12.069 8.869 691 HA LYS 90 HA LYS 90 15.474 -13.057 6.441 692 HB2 LYS 90 HB2 LYS 90 15.615 -10.164 6.651 693 HB3 LYS 90 HB3 LYS 90 17.220 -10.856 6.522 694 HG2 LYS 90 HG2 LYS 90 15.929 -12.352 4.629 695 HG3 LYS 90 HG3 LYS 90 14.971 -10.888 4.543 696 HD2 LYS 90 HD2 LYS 90 16.703 -9.633 3.672 697 HD3 LYS 90 HD3 LYS 90 17.922 -10.448 4.631 698 HE2 LYS 90 HE2 LYS 90 17.421 -12.524 3.081 699 HE3 LYS 90 HE3 LYS 90 16.673 -11.351 2.015 700 HZ1 LYS 90 HZ1 LYS 90 18.735 -10.188 1.817 701 HZ2 LYS 90 HZ2 LYS 90 19.440 -11.015 3.030 702 HZ3 LYS 90 HZ3 LYS 90 19.057 -11.781 1.636 703 HA PRO 91 HA PRO 91 17.817 -14.227 10.039 704 HB2 PRO 91 HB2 PRO 91 17.967 -16.893 9.455 705 HB3 PRO 91 HB3 PRO 91 16.685 -16.195 10.425 706 HG2 PRO 91 HG2 PRO 91 16.588 -17.130 7.623 707 HG3 PRO 91 HG3 PRO 91 15.261 -16.836 8.728 708 HD2 PRO 91 HD2 PRO 91 16.104 -15.145 6.570 709 HD3 PRO 91 HD3 PRO 91 14.853 -14.797 7.746 710 H LYS 92 H LYS 92 19.409 -12.787 9.008 711 HA LYS 92 HA LYS 92 21.139 -14.041 7.119 712 HB2 LYS 92 HB2 LYS 92 20.638 -11.403 8.123 713 HB3 LYS 92 HB3 LYS 92 22.347 -11.743 8.301 714 HG2 LYS 92 HG2 LYS 92 22.463 -11.119 6.099 715 HG3 LYS 92 HG3 LYS 92 21.934 -12.761 5.790 716 HD2 LYS 92 HD2 LYS 92 20.142 -11.868 4.717 717 HD3 LYS 92 HD3 LYS 92 19.528 -11.414 6.294 718 HE2 LYS 92 HE2 LYS 92 21.568 -9.524 5.280 719 HE3 LYS 92 HE3 LYS 92 20.178 -9.649 4.220 720 HZ1 LYS 92 HZ1 LYS 92 20.082 -9.018 7.121 721 HZ2 LYS 92 HZ2 LYS 92 19.758 -7.986 5.905 722 HZ3 LYS 92 HZ3 LYS 92 18.783 -9.275 6.159 723 HA PRO 93 HA PRO 93 24.078 -15.729 9.797 724 HB2 PRO 93 HB2 PRO 93 26.503 -15.094 8.708 725 HB3 PRO 93 HB3 PRO 93 25.477 -16.371 8.084 726 HG2 PRO 93 HG2 PRO 93 25.968 -13.678 6.970 727 HG3 PRO 93 HG3 PRO 93 25.308 -15.092 6.172 728 HD2 PRO 93 HD2 PRO 93 23.844 -12.809 7.108 729 HD3 PRO 93 HD3 PRO 93 23.174 -14.273 6.416 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -15.334 -16.555 -6.831 2 HA MET 1 HA MET 1 -13.982 -14.739 -7.591 3 HB2 MET 1 HB2 MET 1 -16.389 -15.108 -8.442 4 HB3 MET 1 HB3 MET 1 -16.911 -13.868 -7.320 5 HG2 MET 1 HG2 MET 1 -15.449 -12.198 -8.428 6 HG3 MET 1 HG3 MET 1 -14.811 -13.430 -9.499 7 HE1 MET 1 HE1 MET 1 -16.508 -11.598 -12.011 8 HE2 MET 1 HE2 MET 1 -17.076 -10.556 -10.685 9 HE3 MET 1 HE3 MET 1 -15.426 -11.222 -10.648 10 H SER 2 H SER 2 -12.817 -12.964 -6.962 11 HA SER 2 HA SER 2 -12.343 -11.052 -5.997 12 HB2 SER 2 HB2 SER 2 -14.936 -10.647 -6.091 13 HB3 SER 2 HB3 SER 2 -14.911 -11.037 -4.383 14 HG SER 2 HG SER 2 -14.600 -8.673 -5.192 15 H THR 3 H THR 3 -14.335 -12.989 -3.634 16 HA THR 3 HA THR 3 -13.889 -13.700 -1.569 17 HB THR 3 HB THR 3 -11.969 -15.111 -1.446 18 HG1 THR 3 HG1 THR 3 -10.004 -14.302 -2.197 19 HG21 THR 3 HG21 THR 3 -11.560 -16.018 -3.688 20 HG22 THR 3 HG22 THR 3 -13.285 -15.591 -3.579 21 HG23 THR 3 HG23 THR 3 -12.156 -14.521 -4.445 22 H ASP 4 H ASP 4 -12.451 -13.425 0.466 23 HA ASP 4 HA ASP 4 -11.512 -12.133 1.941 24 HB2 ASP 4 HB2 ASP 4 -10.822 -10.009 -0.110 25 HB3 ASP 4 HB3 ASP 4 -9.950 -10.430 1.351 26 H THR 5 H THR 5 -12.719 -9.835 -0.632 27 HA THR 5 HA THR 5 -14.224 -8.405 1.429 28 HB THR 5 HB THR 5 -13.319 -7.786 -1.424 29 HG1 THR 5 HG1 THR 5 -11.715 -7.051 -0.084 30 HG21 THR 5 HG21 THR 5 -15.470 -6.551 0.222 31 HG22 THR 5 HG22 THR 5 -14.204 -5.408 -0.287 32 HG23 THR 5 HG23 THR 5 -15.108 -6.335 -1.508 33 H GLY 6 H GLY 6 -14.802 -9.511 -1.982 34 HA2 GLY 6 HA2 GLY 6 -16.696 -11.129 -2.144 35 HA3 GLY 6 HA3 GLY 6 -17.608 -9.990 -1.173 36 H VAL 7 H VAL 7 -17.427 -7.561 -2.095 37 HA VAL 7 HA VAL 7 -17.854 -7.776 -4.996 38 HB VAL 7 HB VAL 7 -19.909 -7.453 -3.660 39 HG11 VAL 7 HG11 VAL 7 -20.306 -5.617 -2.282 40 HG12 VAL 7 HG12 VAL 7 -18.615 -6.027 -1.904 41 HG13 VAL 7 HG13 VAL 7 -18.979 -4.666 -2.992 42 HG21 VAL 7 HG21 VAL 7 -19.015 -5.970 -5.920 43 HG22 VAL 7 HG22 VAL 7 -20.679 -6.423 -5.480 44 HG23 VAL 7 HG23 VAL 7 -19.999 -4.878 -4.916 45 H SER 8 H SER 8 -16.276 -6.779 -6.127 46 HA SER 8 HA SER 8 -15.091 -4.434 -4.859 47 HB2 SER 8 HB2 SER 8 -13.367 -6.073 -4.862 48 HB3 SER 8 HB3 SER 8 -13.817 -6.683 -6.442 49 HG SER 8 HG SER 8 -11.846 -5.173 -6.186 50 H LEU 9 H LEU 9 -15.995 -2.690 -5.919 51 HA LEU 9 HA LEU 9 -15.946 -2.803 -8.850 52 HB2 LEU 9 HB2 LEU 9 -18.203 -2.333 -7.032 53 HB3 LEU 9 HB3 LEU 9 -18.022 -1.109 -8.273 54 HG LEU 9 HG LEU 9 -17.804 -3.280 -9.834 55 HD11 LEU 9 HD11 LEU 9 -18.287 -4.540 -7.478 56 HD12 LEU 9 HD12 LEU 9 -19.942 -4.370 -8.112 57 HD13 LEU 9 HD13 LEU 9 -18.699 -5.200 -9.079 58 HD21 LEU 9 HD21 LEU 9 -20.545 -2.387 -8.954 59 HD22 LEU 9 HD22 LEU 9 -19.451 -1.311 -9.856 60 HD23 LEU 9 HD23 LEU 9 -19.980 -2.851 -10.576 61 HA PRO 10 HA PRO 10 -13.520 0.706 -7.556 62 HB2 PRO 10 HB2 PRO 10 -11.606 0.493 -9.496 63 HB3 PRO 10 HB3 PRO 10 -11.464 -0.265 -7.922 64 HG2 PRO 10 HG2 PRO 10 -12.094 -1.509 -10.529 65 HG3 PRO 10 HG3 PRO 10 -11.535 -2.273 -9.054 66 HD2 PRO 10 HD2 PRO 10 -14.212 -2.284 -10.085 67 HD3 PRO 10 HD3 PRO 10 -13.676 -2.948 -8.554 68 H SER 11 H SER 11 -14.410 2.631 -7.905 69 HA SER 11 HA SER 11 -16.021 3.234 -9.902 70 HB2 SER 11 HB2 SER 11 -15.201 5.660 -9.627 71 HB3 SER 11 HB3 SER 11 -15.742 4.841 -8.175 72 HG SER 11 HG SER 11 -13.138 4.266 -8.368 73 H TYR 12 H TYR 12 -15.866 3.154 -12.110 74 HA TYR 12 HA TYR 12 -14.937 2.988 -14.131 75 HB2 TYR 12 HB2 TYR 12 -14.494 5.542 -12.878 76 HB3 TYR 12 HB3 TYR 12 -12.985 5.170 -13.688 77 HD1 TYR 12 HD1 TYR 12 -13.473 4.098 -16.200 78 HD2 TYR 12 HD2 TYR 12 -15.938 6.883 -14.085 79 HE1 TYR 12 HE1 TYR 12 -14.464 4.902 -18.399 80 HE2 TYR 12 HE2 TYR 12 -16.920 7.678 -16.291 81 HH TYR 12 HH TYR 12 -16.790 7.579 -18.456 82 H GLU 13 H GLU 13 -13.780 1.039 -14.148 83 HA GLU 13 HA GLU 13 -11.088 1.223 -14.619 84 HB2 GLU 13 HB2 GLU 13 -11.696 1.096 -11.788 85 HB3 GLU 13 HB3 GLU 13 -10.877 -0.381 -12.259 86 HG2 GLU 13 HG2 GLU 13 -9.229 1.256 -13.542 87 HG3 GLU 13 HG3 GLU 13 -9.891 2.477 -12.474 88 H GLU 14 H GLU 14 -10.055 -1.087 -14.720 89 HA GLU 14 HA GLU 14 -11.903 -2.707 -16.058 90 HB2 GLU 14 HB2 GLU 14 -9.088 -2.491 -15.846 91 HB3 GLU 14 HB3 GLU 14 -9.456 -4.109 -15.280 92 HG2 GLU 14 HG2 GLU 14 -10.566 -4.696 -17.334 93 HG3 GLU 14 HG3 GLU 14 -10.675 -3.025 -17.849 94 H ASP 15 H ASP 15 -12.576 -4.919 -15.524 95 HA ASP 15 HA ASP 15 -12.585 -5.328 -12.636 96 HB2 ASP 15 HB2 ASP 15 -14.760 -6.520 -12.986 97 HB3 ASP 15 HB3 ASP 15 -14.836 -4.831 -13.446 98 H GLN 16 H GLN 16 -10.726 -6.750 -12.637 99 HA GLN 16 HA GLN 16 -11.256 -9.402 -13.212 100 HB2 GLN 16 HB2 GLN 16 -10.198 -7.889 -15.466 101 HB3 GLN 16 HB3 GLN 16 -9.046 -9.118 -14.980 102 HG2 GLN 16 HG2 GLN 16 -10.676 -10.889 -15.237 103 HG3 GLN 16 HG3 GLN 16 -12.002 -9.750 -15.362 104 HE21 GLN 16 HE21 GLN 16 -9.874 -11.674 -17.027 105 HE22 GLN 16 HE22 GLN 16 -10.004 -11.002 -18.618 106 H GLY 17 H GLY 17 -10.529 -8.738 -10.881 107 HA2 GLY 17 HA2 GLY 17 -8.120 -7.914 -10.058 108 HA3 GLY 17 HA3 GLY 17 -8.979 -9.240 -9.302 109 H SER 18 H SER 18 -8.825 -11.389 -10.898 110 HA SER 18 HA SER 18 -6.391 -12.410 -10.521 111 HB2 SER 18 HB2 SER 18 -6.967 -14.113 -12.221 112 HB3 SER 18 HB3 SER 18 -8.349 -13.734 -11.212 113 HG SER 18 HG SER 18 -8.448 -13.774 -13.772 114 H LYS 19 H LYS 19 -7.570 -10.738 -13.517 115 HA LYS 19 HA LYS 19 -5.270 -11.075 -15.024 116 HB2 LYS 19 HB2 LYS 19 -7.587 -10.259 -15.729 117 HB3 LYS 19 HB3 LYS 19 -7.106 -8.675 -15.155 118 HG2 LYS 19 HG2 LYS 19 -6.197 -8.357 -17.217 119 HG3 LYS 19 HG3 LYS 19 -4.909 -9.425 -16.696 120 HD2 LYS 19 HD2 LYS 19 -5.763 -11.268 -17.857 121 HD3 LYS 19 HD3 LYS 19 -7.421 -10.711 -17.746 122 HE2 LYS 19 HE2 LYS 19 -7.087 -10.175 -19.963 123 HE3 LYS 19 HE3 LYS 19 -6.423 -8.703 -19.282 124 HZ1 LYS 19 HZ1 LYS 19 -4.336 -9.313 -19.885 125 HZ2 LYS 19 HZ2 LYS 19 -4.518 -10.874 -19.461 126 HZ3 LYS 19 HZ3 LYS 19 -5.112 -10.344 -20.891 127 H LEU 20 H LEU 20 -6.185 -8.530 -12.635 128 HA LEU 20 HA LEU 20 -3.937 -6.926 -13.071 129 HB2 LEU 20 HB2 LEU 20 -5.996 -7.235 -10.939 130 HB3 LEU 20 HB3 LEU 20 -4.549 -6.324 -10.558 131 HG LEU 20 HG LEU 20 -5.873 -5.585 -13.104 132 HD11 LEU 20 HD11 LEU 20 -7.366 -5.695 -10.582 133 HD12 LEU 20 HD12 LEU 20 -7.362 -4.089 -11.349 134 HD13 LEU 20 HD13 LEU 20 -7.940 -5.507 -12.257 135 HD21 LEU 20 HD21 LEU 20 -4.182 -4.384 -11.040 136 HD22 LEU 20 HD22 LEU 20 -4.360 -3.980 -12.765 137 HD23 LEU 20 HD23 LEU 20 -5.507 -3.321 -11.574 138 H ILE 21 H ILE 21 -4.414 -9.983 -11.386 139 HA ILE 21 HA ILE 21 -1.925 -9.702 -9.938 140 HB ILE 21 HB ILE 21 -3.992 -11.892 -10.107 141 HG12 ILE 21 HG12 ILE 21 -3.304 -10.291 -7.659 142 HG13 ILE 21 HG13 ILE 21 -4.364 -9.603 -8.874 143 HG21 ILE 21 HG21 ILE 21 -2.424 -12.416 -7.893 144 HG22 ILE 21 HG22 ILE 21 -2.389 -13.292 -9.442 145 HG23 ILE 21 HG23 ILE 21 -1.236 -11.970 -9.141 146 HD11 ILE 21 HD11 ILE 21 -6.031 -10.717 -7.794 147 HD12 ILE 21 HD12 ILE 21 -5.396 -12.172 -8.600 148 HD13 ILE 21 HD13 ILE 21 -4.883 -11.777 -6.941 149 H ARG 22 H ARG 22 -3.088 -10.788 -13.030 150 HA ARG 22 HA ARG 22 -1.136 -12.753 -13.442 151 HB2 ARG 22 HB2 ARG 22 -3.279 -11.436 -14.972 152 HB3 ARG 22 HB3 ARG 22 -1.872 -11.720 -15.977 153 HG2 ARG 22 HG2 ARG 22 -1.870 -14.111 -15.403 154 HG3 ARG 22 HG3 ARG 22 -3.149 -13.873 -14.228 155 HD2 ARG 22 HD2 ARG 22 -4.251 -12.777 -16.556 156 HD3 ARG 22 HD3 ARG 22 -3.330 -14.133 -17.173 157 HE ARG 22 HE ARG 22 -4.678 -15.178 -14.965 158 HH11 ARG 22 HH22 ARG 22 -5.666 -13.535 -17.945 159 HH12 ARG 22 HH21 ARG 22 -7.203 -14.329 -18.020 160 HH21 ARG 22 HH12 ARG 22 -6.677 -16.201 -15.075 161 HH22 ARG 22 HH11 ARG 22 -7.776 -15.857 -16.371 162 H LYS 23 H LYS 23 0.886 -11.722 -12.780 163 HA LYS 23 HA LYS 23 2.163 -10.357 -14.933 164 HB2 LYS 23 HB2 LYS 23 0.827 -8.698 -13.143 165 HB3 LYS 23 HB3 LYS 23 2.478 -8.682 -12.556 166 HG2 LYS 23 HG2 LYS 23 2.834 -8.485 -15.316 167 HG3 LYS 23 HG3 LYS 23 1.361 -7.569 -15.067 168 HD2 LYS 23 HD2 LYS 23 3.288 -6.904 -12.982 169 HD3 LYS 23 HD3 LYS 23 4.041 -6.727 -14.554 170 HE2 LYS 23 HE2 LYS 23 2.156 -5.279 -15.311 171 HE3 LYS 23 HE3 LYS 23 1.363 -5.483 -13.761 172 HZ1 LYS 23 HZ1 LYS 23 2.866 -4.102 -12.740 173 HZ2 LYS 23 HZ2 LYS 23 4.119 -4.508 -13.698 174 HZ3 LYS 23 HZ3 LYS 23 2.957 -3.503 -14.261 175 H ALA 24 H ALA 24 2.780 -10.203 -11.377 176 HA ALA 24 HA ALA 24 5.335 -11.464 -11.837 177 HB1 ALA 24 HB1 ALA 24 5.931 -10.324 -9.982 178 HB2 ALA 24 HB2 ALA 24 4.350 -9.517 -10.106 179 HB3 ALA 24 HB3 ALA 24 4.541 -10.943 -9.059 180 H LYS 25 H LYS 25 2.493 -12.039 -9.634 181 HA LYS 25 HA LYS 25 1.598 -13.905 -8.865 182 HB2 LYS 25 HB2 LYS 25 2.876 -14.921 -11.378 183 HB3 LYS 25 HB3 LYS 25 2.237 -16.084 -10.234 184 HG2 LYS 25 HG2 LYS 25 0.054 -14.724 -10.235 185 HG3 LYS 25 HG3 LYS 25 0.715 -13.804 -11.572 186 HD2 LYS 25 HD2 LYS 25 0.883 -16.767 -11.891 187 HD3 LYS 25 HD3 LYS 25 -0.747 -16.124 -11.854 188 HE2 LYS 25 HE2 LYS 25 -0.354 -15.827 -14.109 189 HE3 LYS 25 HE3 LYS 25 0.341 -14.317 -13.555 190 HZ1 LYS 25 HZ1 LYS 25 2.399 -16.092 -13.308 191 HZ2 LYS 25 HZ2 LYS 25 1.681 -16.588 -14.683 192 HZ3 LYS 25 HZ3 LYS 25 2.157 -15.030 -14.529 193 H GLU 26 H GLU 26 2.323 -14.270 -6.833 194 HA GLU 26 HA GLU 26 3.564 -14.941 -5.181 195 HB2 GLU 26 HB2 GLU 26 3.483 -17.077 -6.955 196 HB3 GLU 26 HB3 GLU 26 5.202 -16.927 -6.647 197 HG2 GLU 26 HG2 GLU 26 5.006 -17.579 -4.448 198 HG3 GLU 26 HG3 GLU 26 3.508 -16.702 -4.210 199 H ALA 27 H ALA 27 4.611 -12.734 -5.441 200 HA ALA 27 HA ALA 27 7.471 -13.101 -6.015 201 HB1 ALA 27 HB1 ALA 27 6.903 -11.731 -7.783 202 HB2 ALA 27 HB2 ALA 27 5.520 -11.011 -6.923 203 HB3 ALA 27 HB3 ALA 27 7.177 -10.493 -6.534 204 HA PRO 28 HA PRO 28 8.097 -11.409 -2.085 205 HB2 PRO 28 HB2 PRO 28 10.450 -10.044 -2.342 206 HB3 PRO 28 HB3 PRO 28 10.367 -11.786 -2.169 207 HG2 PRO 28 HG2 PRO 28 10.925 -10.188 -4.593 208 HG3 PRO 28 HG3 PRO 28 11.249 -11.885 -4.298 209 HD2 PRO 28 HD2 PRO 28 9.119 -10.795 -5.879 210 HD3 PRO 28 HD3 PRO 28 9.375 -12.483 -5.488 211 H PHE 29 H PHE 29 9.280 -9.076 -1.130 212 HA PHE 29 HA PHE 29 7.086 -7.288 -1.747 213 HB2 PHE 29 HB2 PHE 29 7.733 -6.286 0.343 214 HB3 PHE 29 HB3 PHE 29 8.111 -7.979 0.591 215 HD1 PHE 29 HD2 PHE 29 9.561 -4.671 -0.138 216 HD2 PHE 29 HD1 PHE 29 10.364 -8.710 0.887 217 HE1 PHE 29 HE2 PHE 29 11.935 -4.062 0.402 218 HE2 PHE 29 HE1 PHE 29 12.739 -8.100 1.427 219 HZ PHE 29 HZ PHE 29 13.496 -5.784 1.177 220 H VAL 30 H VAL 30 10.246 -7.883 -2.882 221 HA VAL 30 HA VAL 30 11.440 -5.450 -3.096 222 HB VAL 30 HB VAL 30 11.465 -8.007 -4.506 223 HG11 VAL 30 HG11 VAL 30 12.265 -5.499 -6.018 224 HG12 VAL 30 HG12 VAL 30 12.740 -7.152 -6.475 225 HG13 VAL 30 HG13 VAL 30 11.023 -6.686 -6.481 226 HG21 VAL 30 HG21 VAL 30 13.420 -6.021 -3.397 227 HG22 VAL 30 HG22 VAL 30 13.224 -7.754 -3.041 228 HG23 VAL 30 HG23 VAL 30 13.994 -7.240 -4.561 229 HA PRO 31 HA PRO 31 8.714 -4.515 -6.844 230 HB2 PRO 31 HB2 PRO 31 6.589 -6.126 -7.441 231 HB3 PRO 31 HB3 PRO 31 8.157 -6.285 -8.207 232 HG2 PRO 31 HG2 PRO 31 6.929 -7.990 -6.128 233 HG3 PRO 31 HG3 PRO 31 8.271 -8.354 -7.193 234 HD2 PRO 31 HD2 PRO 31 8.426 -7.651 -4.417 235 HD3 PRO 31 HD3 PRO 31 9.771 -7.902 -5.511 236 H VAL 32 H VAL 32 7.409 -5.595 -3.896 237 HA VAL 32 HA VAL 32 4.988 -4.128 -4.087 238 HB VAL 32 HB VAL 32 6.528 -5.272 -1.751 239 HG11 VAL 32 HG11 VAL 32 4.279 -3.472 -1.775 240 HG12 VAL 32 HG12 VAL 32 3.771 -5.054 -1.137 241 HG13 VAL 32 HG13 VAL 32 5.134 -4.189 -0.388 242 HG21 VAL 32 HG21 VAL 32 5.723 -6.906 -3.454 243 HG22 VAL 32 HG22 VAL 32 4.967 -7.117 -1.857 244 HG23 VAL 32 HG23 VAL 32 4.063 -6.330 -3.172 245 H GLY 33 H GLY 33 8.259 -3.522 -2.681 246 HA2 GLY 33 HA2 GLY 33 7.547 -0.947 -1.651 247 HA3 GLY 33 HA3 GLY 33 9.149 -1.648 -1.776 248 H ILE 34 H ILE 34 9.234 -2.211 -4.595 249 HA ILE 34 HA ILE 34 10.029 0.295 -5.549 250 HB ILE 34 HB ILE 34 9.622 -2.410 -6.786 251 HG12 ILE 34 HG12 ILE 34 11.534 -2.147 -5.304 252 HG13 ILE 34 HG13 ILE 34 12.060 -2.364 -6.962 253 HG21 ILE 34 HG21 ILE 34 9.049 -0.859 -8.548 254 HG22 ILE 34 HG22 ILE 34 10.502 0.114 -8.214 255 HG23 ILE 34 HG23 ILE 34 10.666 -1.539 -8.853 256 HD11 ILE 34 HD11 ILE 34 12.550 -0.126 -5.170 257 HD12 ILE 34 HD12 ILE 34 13.261 -0.455 -6.768 258 HD13 ILE 34 HD13 ILE 34 11.729 0.442 -6.644 259 H ALA 35 H ALA 35 7.320 -1.815 -6.756 260 HA ALA 35 HA ALA 35 6.157 0.220 -8.270 261 HB1 ALA 35 HB1 ALA 35 4.436 -1.342 -8.648 262 HB2 ALA 35 HB2 ALA 35 5.852 -2.365 -8.305 263 HB3 ALA 35 HB3 ALA 35 4.629 -2.085 -7.042 264 H GLY 36 H GLY 36 5.279 -1.097 -4.996 265 HA2 GLY 36 HA2 GLY 36 3.150 0.470 -4.375 266 HA3 GLY 36 HA3 GLY 36 4.355 -0.060 -3.218 267 H PHE 37 H PHE 37 6.638 1.314 -3.745 268 HA PHE 37 HA PHE 37 6.187 3.797 -2.673 269 HB2 PHE 37 HB2 PHE 37 8.376 2.646 -2.699 270 HB3 PHE 37 HB3 PHE 37 8.386 2.599 -4.451 271 HD1 PHE 37 HD2 PHE 37 8.775 4.789 -1.517 272 HD2 PHE 37 HD1 PHE 37 9.135 4.474 -5.734 273 HE1 PHE 37 HE2 PHE 37 10.068 6.939 -1.567 274 HE2 PHE 37 HE1 PHE 37 10.428 6.624 -5.784 275 HZ PHE 37 HZ PHE 37 10.879 7.831 -3.700 276 H ALA 38 H ALA 38 6.759 2.902 -6.145 277 HA ALA 38 HA ALA 38 6.732 5.463 -7.172 278 HB1 ALA 38 HB1 ALA 38 7.349 4.007 -8.803 279 HB2 ALA 38 HB2 ALA 38 6.352 2.689 -8.142 280 HB3 ALA 38 HB3 ALA 38 5.607 3.944 -9.162 281 H ALA 39 H ALA 39 4.007 3.176 -6.513 282 HA ALA 39 HA ALA 39 1.999 4.768 -7.600 283 HB1 ALA 39 HB1 ALA 39 2.279 2.366 -5.971 284 HB2 ALA 39 HB2 ALA 39 0.891 3.346 -5.443 285 HB3 ALA 39 HB3 ALA 39 1.005 2.804 -7.134 286 H ILE 40 H ILE 40 2.976 4.377 -4.114 287 HA ILE 40 HA ILE 40 1.374 6.209 -2.981 288 HB ILE 40 HB ILE 40 4.274 5.603 -2.414 289 HG12 ILE 40 HG12 ILE 40 1.805 4.625 -0.966 290 HG13 ILE 40 HG13 ILE 40 2.506 3.764 -2.322 291 HG21 ILE 40 HG21 ILE 40 4.042 6.628 -0.270 292 HG22 ILE 40 HG22 ILE 40 3.562 7.824 -1.498 293 HG23 ILE 40 HG23 ILE 40 2.318 6.971 -0.552 294 HD11 ILE 40 HD11 ILE 40 3.730 2.736 -0.670 295 HD12 ILE 40 HD12 ILE 40 4.763 4.175 -0.839 296 HD13 ILE 40 HD13 ILE 40 3.545 4.102 0.456 297 H VAL 41 H VAL 41 4.592 6.934 -4.503 298 HA VAL 41 HA VAL 41 4.577 9.644 -4.099 299 HB VAL 41 HB VAL 41 5.703 7.863 -6.243 300 HG11 VAL 41 HG11 VAL 41 7.029 9.769 -7.073 301 HG12 VAL 41 HG12 VAL 41 5.285 10.016 -7.329 302 HG13 VAL 41 HG13 VAL 41 6.119 10.863 -6.004 303 HG21 VAL 41 HG21 VAL 41 7.797 8.242 -5.139 304 HG22 VAL 41 HG22 VAL 41 7.094 9.519 -4.117 305 HG23 VAL 41 HG23 VAL 41 6.599 7.825 -3.890 306 H ALA 42 H ALA 42 3.136 7.747 -6.828 307 HA ALA 42 HA ALA 42 2.239 9.912 -8.301 308 HB1 ALA 42 HB1 ALA 42 2.342 7.479 -8.976 309 HB2 ALA 42 HB2 ALA 42 0.880 7.208 -7.996 310 HB3 ALA 42 HB3 ALA 42 0.820 8.298 -9.402 311 H TYR 43 H TYR 43 0.361 7.876 -5.938 312 HA TYR 43 HA TYR 43 -1.959 9.270 -5.926 313 HB2 TYR 43 HB2 TYR 43 -0.299 7.570 -4.128 314 HB3 TYR 43 HB3 TYR 43 -1.341 8.640 -3.211 315 HD1 TYR 43 HD1 TYR 43 -1.252 5.821 -5.584 316 HD2 TYR 43 HD2 TYR 43 -3.759 8.357 -3.220 317 HE1 TYR 43 HE1 TYR 43 -3.201 4.224 -5.924 318 HE2 TYR 43 HE2 TYR 43 -5.699 6.752 -3.568 319 HH TYR 43 HH TYR 43 -5.444 4.073 -5.800 320 H GLY 44 H GLY 44 0.787 9.861 -3.607 321 HA2 GLY 44 HA2 GLY 44 -0.222 12.061 -2.324 322 HA3 GLY 44 HA3 GLY 44 1.480 11.754 -2.607 323 H LEU 45 H LEU 45 2.052 12.134 -5.172 324 HA LEU 45 HA LEU 45 2.157 14.787 -5.585 325 HB2 LEU 45 HB2 LEU 45 2.507 12.381 -7.169 326 HB3 LEU 45 HB3 LEU 45 1.938 13.716 -8.151 327 HG LEU 45 HG LEU 45 3.845 15.090 -7.120 328 HD11 LEU 45 HD11 LEU 45 5.796 13.352 -6.576 329 HD12 LEU 45 HD12 LEU 45 4.722 14.017 -5.321 330 HD13 LEU 45 HD13 LEU 45 4.414 12.396 -5.989 331 HD21 LEU 45 HD21 LEU 45 3.680 13.942 -9.448 332 HD22 LEU 45 HD22 LEU 45 5.251 14.554 -8.877 333 HD23 LEU 45 HD23 LEU 45 4.886 12.815 -8.783 334 H TYR 46 H TYR 46 -0.451 12.565 -6.761 335 HA TYR 46 HA TYR 46 -1.930 14.647 -7.974 336 HB2 TYR 46 HB2 TYR 46 -1.873 11.939 -8.083 337 HB3 TYR 46 HB3 TYR 46 -3.054 12.062 -6.793 338 HD1 TYR 46 HD1 TYR 46 -5.150 13.559 -7.268 339 HD2 TYR 46 HD2 TYR 46 -2.572 12.019 -10.316 340 HE1 TYR 46 HE1 TYR 46 -6.992 13.869 -8.993 341 HE2 TYR 46 HE2 TYR 46 -4.423 12.335 -12.031 342 HH TYR 46 HH TYR 46 -7.057 14.236 -11.508 343 H LYS 47 H LYS 47 -2.143 12.943 -4.786 344 HA LYS 47 HA LYS 47 -4.475 14.101 -3.900 345 HB2 LYS 47 HB2 LYS 47 -2.015 13.169 -2.399 346 HB3 LYS 47 HB3 LYS 47 -3.497 13.661 -1.604 347 HG2 LYS 47 HG2 LYS 47 -4.285 11.866 -3.682 348 HG3 LYS 47 HG3 LYS 47 -2.882 11.137 -2.925 349 HD2 LYS 47 HD2 LYS 47 -3.918 11.038 -0.789 350 HD3 LYS 47 HD3 LYS 47 -5.093 12.274 -1.191 351 HE2 LYS 47 HE2 LYS 47 -6.467 10.795 -2.373 352 HE3 LYS 47 HE3 LYS 47 -5.136 9.757 -2.843 353 HZ1 LYS 47 HZ1 LYS 47 -5.441 8.513 -1.004 354 HZ2 LYS 47 HZ2 LYS 47 -5.491 9.795 -0.001 355 HZ3 LYS 47 HZ3 LYS 47 -6.841 9.336 -0.803 356 H LEU 48 H LEU 48 -1.172 15.424 -4.122 357 HA LEU 48 HA LEU 48 -1.249 17.519 -2.430 358 HB2 LEU 48 HB2 LEU 48 0.618 16.856 -3.899 359 HB3 LEU 48 HB3 LEU 48 -0.222 17.551 -5.272 360 HG LEU 48 HG LEU 48 -0.158 19.777 -4.057 361 HD11 LEU 48 HD11 LEU 48 1.823 18.320 -2.286 362 HD12 LEU 48 HD12 LEU 48 1.493 20.069 -2.282 363 HD13 LEU 48 HD13 LEU 48 0.222 18.922 -1.795 364 HD21 LEU 48 HD21 LEU 48 1.893 20.342 -4.978 365 HD22 LEU 48 HD22 LEU 48 2.630 18.774 -4.568 366 HD23 LEU 48 HD23 LEU 48 1.443 18.881 -5.891 367 H LYS 49 H LYS 49 -2.091 18.034 -5.920 368 HA LYS 49 HA LYS 49 -3.438 20.404 -5.451 369 HB2 LYS 49 HB2 LYS 49 -4.081 20.301 -7.711 370 HB3 LYS 49 HB3 LYS 49 -2.536 19.478 -7.636 371 HG2 LYS 49 HG2 LYS 49 -4.316 17.393 -7.155 372 HG3 LYS 49 HG3 LYS 49 -5.225 18.390 -8.273 373 HD2 LYS 49 HD2 LYS 49 -2.911 18.447 -9.616 374 HD3 LYS 49 HD3 LYS 49 -2.580 16.990 -8.700 375 HE2 LYS 49 HE2 LYS 49 -3.759 15.866 -10.289 376 HE3 LYS 49 HE3 LYS 49 -5.202 16.571 -9.588 377 HZ1 LYS 49 HZ1 LYS 49 -4.688 18.552 -11.117 378 HZ2 LYS 49 HZ2 LYS 49 -3.671 17.560 -11.914 379 HZ3 LYS 49 HZ3 LYS 49 -5.255 17.171 -11.787 380 H SER 50 H SER 50 -5.467 20.946 -4.770 381 HA SER 50 HA SER 50 -6.998 18.880 -3.610 382 HB2 SER 50 HB2 SER 50 -6.905 21.067 -2.547 383 HB3 SER 50 HB3 SER 50 -7.492 21.860 -3.995 384 HG SER 50 HG SER 50 -8.944 20.872 -1.956 385 H ARG 51 H ARG 51 -7.256 20.992 -6.521 386 HA ARG 51 HA ARG 51 -9.775 20.537 -7.277 387 HB2 ARG 51 HB2 ARG 51 -7.203 20.766 -8.881 388 HB3 ARG 51 HB3 ARG 51 -8.729 20.546 -9.713 389 HG2 ARG 51 HG2 ARG 51 -9.611 22.551 -8.333 390 HG3 ARG 51 HG3 ARG 51 -7.948 22.835 -7.858 391 HD2 ARG 51 HD2 ARG 51 -7.332 23.601 -9.950 392 HD3 ARG 51 HD3 ARG 51 -8.357 22.456 -10.792 393 HE ARG 51 HE ARG 51 -10.099 24.026 -10.783 394 HH11 ARG 51 HH22 ARG 51 -7.624 25.037 -8.458 395 HH12 ARG 51 HH21 ARG 51 -8.349 26.583 -8.170 396 HH21 ARG 51 HH12 ARG 51 -11.031 26.037 -10.399 397 HH22 ARG 51 HH11 ARG 51 -10.303 27.150 -9.287 398 H GLY 52 H GLY 52 -10.781 18.528 -7.062 399 HA2 GLY 52 HA2 GLY 52 -10.886 16.588 -8.808 400 HA3 GLY 52 HA3 GLY 52 -9.377 16.146 -8.035 401 H ASN 53 H ASN 53 -11.148 14.215 -7.767 402 HA ASN 53 HA ASN 53 -13.066 14.513 -5.801 403 HB2 ASN 53 HB2 ASN 53 -11.696 12.273 -7.213 404 HB3 ASN 53 HB3 ASN 53 -12.282 11.839 -5.619 405 HD21 ASN 53 HD21 ASN 53 -14.390 11.542 -5.258 406 HD22 ASN 53 HD22 ASN 53 -15.652 11.728 -6.430 407 H THR 54 H THR 54 -9.676 13.181 -5.725 408 HA THR 54 HA THR 54 -9.572 12.546 -3.031 409 HB THR 54 HB THR 54 -7.082 12.718 -3.437 410 HG1 THR 54 HG1 THR 54 -6.558 14.145 -5.044 411 HG21 THR 54 HG21 THR 54 -7.197 11.483 -5.829 412 HG22 THR 54 HG22 THR 54 -7.735 10.655 -4.348 413 HG23 THR 54 HG23 THR 54 -8.930 11.402 -5.434 414 H LYS 55 H LYS 55 -9.590 13.657 -1.181 415 HA LYS 55 HA LYS 55 -9.199 16.555 -1.417 416 HB2 LYS 55 HB2 LYS 55 -11.197 14.918 -0.107 417 HB3 LYS 55 HB3 LYS 55 -10.386 15.937 1.065 418 HG2 LYS 55 HG2 LYS 55 -11.146 17.909 0.099 419 HG3 LYS 55 HG3 LYS 55 -11.132 17.251 -1.526 420 HD2 LYS 55 HD2 LYS 55 -13.340 16.751 -1.398 421 HD3 LYS 55 HD3 LYS 55 -13.079 15.782 0.039 422 HE2 LYS 55 HE2 LYS 55 -12.891 18.259 1.160 423 HE3 LYS 55 HE3 LYS 55 -13.935 18.652 -0.191 424 HZ1 LYS 55 HZ1 LYS 55 -14.836 16.258 1.018 425 HZ2 LYS 55 HZ2 LYS 55 -14.680 17.394 2.174 426 HZ3 LYS 55 HZ3 LYS 55 -15.588 17.702 0.848 427 H MET 56 H MET 56 -8.744 13.871 0.998 428 HA MET 56 HA MET 56 -7.122 13.428 2.376 429 HB2 MET 56 HB2 MET 56 -5.705 13.469 0.293 430 HB3 MET 56 HB3 MET 56 -5.431 15.187 0.510 431 HG2 MET 56 HG2 MET 56 -3.500 13.919 1.374 432 HG3 MET 56 HG3 MET 56 -4.304 14.742 2.696 433 HE1 MET 56 HE1 MET 56 -3.187 11.442 4.390 434 HE2 MET 56 HE2 MET 56 -2.321 12.016 2.945 435 HE3 MET 56 HE3 MET 56 -2.898 13.183 4.159 436 H SER 57 H SER 57 -7.110 14.227 4.429 437 HA SER 57 HA SER 57 -5.851 16.566 5.113 438 HB2 SER 57 HB2 SER 57 -7.748 18.034 5.736 439 HB3 SER 57 HB3 SER 57 -7.701 17.751 4.008 440 HG SER 57 HG SER 57 -9.524 16.536 4.094 441 H ILE 58 H ILE 58 -5.045 15.270 6.807 442 HA ILE 58 HA ILE 58 -6.922 14.831 8.972 443 HB ILE 58 HB ILE 58 -6.872 12.766 7.517 444 HG12 ILE 58 HG12 ILE 58 -6.032 11.524 9.911 445 HG13 ILE 58 HG13 ILE 58 -6.721 13.063 10.389 446 HG21 ILE 58 HG21 ILE 58 -4.194 13.105 7.422 447 HG22 ILE 58 HG22 ILE 58 -4.315 11.928 8.752 448 HG23 ILE 58 HG23 ILE 58 -5.011 11.545 7.159 449 HD11 ILE 58 HD11 ILE 58 -8.555 12.251 8.498 450 HD12 ILE 58 HD12 ILE 58 -8.044 10.691 9.185 451 HD13 ILE 58 HD13 ILE 58 -8.716 11.953 10.245 452 H HIS 59 H HIS 59 -5.978 15.146 10.974 453 HA HIS 59 HA HIS 59 -4.489 15.862 12.418 454 HB2 HIS 59 HB2 HIS 59 -3.212 13.680 11.001 455 HB3 HIS 59 HB3 HIS 59 -2.013 14.834 11.550 456 HD1 HIS 59 HD1 HIS 59 -2.813 11.828 12.692 457 HD2 HIS 59 HD2 HIS 59 -3.452 15.566 14.485 458 HE1 HIS 59 HE1 HIS 59 -3.029 11.392 15.196 459 H LEU 60 H LEU 60 -5.151 17.691 10.414 460 HA LEU 60 HA LEU 60 -4.504 19.586 9.486 461 HB2 LEU 60 HB2 LEU 60 -2.207 19.310 11.427 462 HB3 LEU 60 HB3 LEU 60 -2.546 20.754 10.494 463 HG LEU 60 HG LEU 60 -4.972 20.297 11.707 464 HD11 LEU 60 HD11 LEU 60 -2.828 19.092 13.384 465 HD12 LEU 60 HD12 LEU 60 -4.049 20.096 14.202 466 HD13 LEU 60 HD13 LEU 60 -4.554 18.681 13.248 467 HD21 LEU 60 HD21 LEU 60 -2.656 21.990 12.683 468 HD22 LEU 60 HD22 LEU 60 -3.900 22.455 11.498 469 HD23 LEU 60 HD23 LEU 60 -4.351 22.169 13.196 470 H ILE 61 H ILE 61 -2.483 20.717 8.289 471 HA ILE 61 HA ILE 61 -1.804 18.918 6.234 472 HB ILE 61 HB ILE 61 -0.934 20.737 5.148 473 HG12 ILE 61 HG12 ILE 61 0.880 21.216 6.716 474 HG13 ILE 61 HG13 ILE 61 0.090 22.686 6.183 475 HG21 ILE 61 HG21 ILE 61 -2.510 22.432 5.337 476 HG22 ILE 61 HG22 ILE 61 -3.342 21.029 6.050 477 HG23 ILE 61 HG23 ILE 61 -2.627 22.271 7.106 478 HD11 ILE 61 HD11 ILE 61 -1.125 22.907 8.263 479 HD12 ILE 61 HD12 ILE 61 -0.658 21.268 8.776 480 HD13 ILE 61 HD13 ILE 61 0.568 22.556 8.687 481 H HIS 62 H HIS 62 0.138 17.877 5.720 482 HA HIS 62 HA HIS 62 2.303 18.172 7.634 483 HB2 HIS 62 HB2 HIS 62 2.480 15.597 7.613 484 HB3 HIS 62 HB3 HIS 62 1.317 16.362 8.677 485 HD1 HIS 62 HD1 HIS 62 0.802 15.711 4.948 486 HD2 HIS 62 HD2 HIS 62 -0.648 14.426 8.669 487 HE1 HIS 62 HE1 HIS 62 -1.190 14.196 4.454 488 H MET 63 H MET 63 4.307 18.091 6.661 489 HA MET 63 HA MET 63 4.665 18.569 4.101 490 HB2 MET 63 HB2 MET 63 6.266 17.534 6.311 491 HB3 MET 63 HB3 MET 63 6.794 16.757 4.831 492 HG2 MET 63 HG2 MET 63 7.746 18.676 4.031 493 HG3 MET 63 HG3 MET 63 6.350 19.649 4.450 494 HE1 MET 63 HE1 MET 63 9.828 20.319 5.051 495 HE2 MET 63 HE2 MET 63 8.363 21.240 4.634 496 HE3 MET 63 HE3 MET 63 9.202 21.552 6.173 497 H ARG 64 H ARG 64 5.370 17.342 2.177 498 HA ARG 64 HA ARG 64 3.690 15.219 1.674 499 HB2 ARG 64 HB2 ARG 64 5.824 16.696 0.274 500 HB3 ARG 64 HB3 ARG 64 5.808 15.006 -0.189 501 HG2 ARG 64 HG2 ARG 64 3.550 15.112 -0.970 502 HG3 ARG 64 HG3 ARG 64 3.221 16.597 -0.101 503 HD2 ARG 64 HD2 ARG 64 3.489 17.217 -2.418 504 HD3 ARG 64 HD3 ARG 64 4.939 17.760 -1.597 505 HE ARG 64 HE ARG 64 5.188 15.051 -2.680 506 HH11 ARG 64 HH22 ARG 64 5.517 18.498 -3.431 507 HH12 ARG 64 HH21 ARG 64 6.624 18.235 -4.736 508 HH21 ARG 64 HH12 ARG 64 6.627 14.724 -4.378 509 HH22 ARG 64 HH11 ARG 64 7.256 16.068 -5.274 510 H VAL 65 H VAL 65 7.333 15.226 1.900 511 HA VAL 65 HA VAL 65 7.566 12.444 1.922 512 HB VAL 65 HB VAL 65 9.346 14.019 1.337 513 HG11 VAL 65 HG11 VAL 65 8.959 15.776 2.961 514 HG12 VAL 65 HG12 VAL 65 9.358 14.675 4.302 515 HG13 VAL 65 HG13 VAL 65 10.620 15.163 3.145 516 HG21 VAL 65 HG21 VAL 65 11.148 12.773 2.237 517 HG22 VAL 65 HG22 VAL 65 10.248 12.390 3.724 518 HG23 VAL 65 HG23 VAL 65 9.772 11.646 2.178 519 H ALA 66 H ALA 66 7.275 14.889 4.558 520 HA ALA 66 HA ALA 66 7.797 13.301 6.717 521 HB1 ALA 66 HB1 ALA 66 6.519 14.914 7.976 522 HB2 ALA 66 HB2 ALA 66 7.314 15.784 6.642 523 HB3 ALA 66 HB3 ALA 66 5.584 15.380 6.535 524 H ALA 67 H ALA 67 4.516 13.907 5.258 525 HA ALA 67 HA ALA 67 3.146 12.089 6.799 526 HB1 ALA 67 HB1 ALA 67 1.999 12.068 4.205 527 HB2 ALA 67 HB2 ALA 67 1.542 13.092 5.588 528 HB3 ALA 67 HB3 ALA 67 2.742 13.673 4.409 529 H GLN 68 H GLN 68 5.366 11.591 4.083 530 HA GLN 68 HA GLN 68 4.483 8.993 3.493 531 HB2 GLN 68 HB2 GLN 68 6.302 10.850 2.406 532 HB3 GLN 68 HB3 GLN 68 7.309 9.497 2.883 533 HG2 GLN 68 HG2 GLN 68 5.083 8.255 1.704 534 HG3 GLN 68 HG3 GLN 68 5.322 9.676 0.707 535 HE21 GLN 68 HE21 GLN 68 7.557 10.119 -0.018 536 HE22 GLN 68 HE22 GLN 68 8.566 8.788 -0.477 537 H GLY 69 H GLY 69 6.950 10.397 5.693 538 HA2 GLY 69 HA2 GLY 69 8.222 7.975 6.387 539 HA3 GLY 69 HA3 GLY 69 8.241 9.477 7.289 540 H PHE 70 H PHE 70 5.569 9.901 7.961 541 HA PHE 70 HA PHE 70 5.263 8.220 10.147 542 HB2 PHE 70 HB2 PHE 70 4.253 10.611 9.227 543 HB3 PHE 70 HB3 PHE 70 2.894 9.578 8.829 544 HD1 PHE 70 HD2 PHE 70 4.988 10.806 11.611 545 HD2 PHE 70 HD1 PHE 70 1.421 8.786 10.516 546 HE1 PHE 70 HE2 PHE 70 4.164 10.980 13.976 547 HE2 PHE 70 HE1 PHE 70 0.597 8.960 12.881 548 HZ PHE 70 HZ PHE 70 1.978 10.055 14.582 549 H VAL 71 H VAL 71 3.490 8.299 6.978 550 HA VAL 71 HA VAL 71 1.776 6.185 7.578 551 HB VAL 71 HB VAL 71 2.775 7.527 5.097 552 HG11 VAL 71 HG11 VAL 71 1.376 6.106 3.689 553 HG12 VAL 71 HG12 VAL 71 2.620 5.133 4.509 554 HG13 VAL 71 HG13 VAL 71 0.940 5.106 5.095 555 HG21 VAL 71 HG21 VAL 71 0.464 7.672 6.852 556 HG22 VAL 71 HG22 VAL 71 1.007 8.802 5.588 557 HG23 VAL 71 HG23 VAL 71 -0.025 7.416 5.159 558 H VAL 72 H VAL 72 4.889 6.222 5.698 559 HA VAL 72 HA VAL 72 5.077 3.581 5.129 560 HB VAL 72 HB VAL 72 7.042 5.745 5.739 561 HG11 VAL 72 HG11 VAL 72 8.490 4.188 6.538 562 HG12 VAL 72 HG12 VAL 72 7.630 2.831 5.772 563 HG13 VAL 72 HG13 VAL 72 8.726 3.849 4.807 564 HG21 VAL 72 HG21 VAL 72 7.702 5.255 3.368 565 HG22 VAL 72 HG22 VAL 72 6.388 4.056 3.304 566 HG23 VAL 72 HG23 VAL 72 6.011 5.776 3.566 567 H GLY 73 H GLY 73 5.809 5.231 8.245 568 HA2 GLY 73 HA2 GLY 73 6.944 3.046 9.574 569 HA3 GLY 73 HA3 GLY 73 6.148 4.420 10.313 570 H ALA 74 H ALA 74 3.523 4.298 9.628 571 HA ALA 74 HA ALA 74 2.505 2.318 11.264 572 HB1 ALA 74 HB1 ALA 74 0.317 2.985 10.238 573 HB2 ALA 74 HB2 ALA 74 1.309 4.374 10.746 574 HB3 ALA 74 HB3 ALA 74 1.215 3.929 9.025 575 H MET 75 H MET 75 3.066 2.393 7.713 576 HA MET 75 HA MET 75 1.703 -0.016 7.247 577 HB2 MET 75 HB2 MET 75 2.175 1.705 5.491 578 HB3 MET 75 HB3 MET 75 3.898 1.445 5.674 579 HG2 MET 75 HG2 MET 75 3.409 -1.048 5.074 580 HG3 MET 75 HG3 MET 75 1.831 -0.492 4.555 581 HE1 MET 75 HE1 MET 75 5.261 -0.979 4.154 582 HE2 MET 75 HE2 MET 75 5.015 -1.389 2.439 583 HE3 MET 75 HE3 MET 75 5.915 0.081 2.883 584 H THR 76 H THR 76 5.019 0.836 8.215 585 HA THR 76 HA THR 76 6.229 -1.619 7.531 586 HB THR 76 HB THR 76 6.847 0.683 9.436 587 HG1 THR 76 HG1 THR 76 7.581 1.281 7.434 588 HG21 THR 76 HG21 THR 76 9.244 -0.434 9.242 589 HG22 THR 76 HG22 THR 76 8.124 -1.018 10.496 590 HG23 THR 76 HG23 THR 76 8.323 -1.936 8.985 591 H VAL 77 H VAL 77 4.834 -0.408 10.648 592 HA VAL 77 HA VAL 77 5.346 -2.805 12.017 593 HB VAL 77 HB VAL 77 3.786 -1.888 13.673 594 HG11 VAL 77 HG11 VAL 77 5.043 0.599 13.419 595 HG12 VAL 77 HG12 VAL 77 5.648 -0.824 14.302 596 HG13 VAL 77 HG13 VAL 77 6.141 -0.547 12.614 597 HG21 VAL 77 HG21 VAL 77 2.087 -0.948 12.214 598 HG22 VAL 77 HG22 VAL 77 2.732 0.325 13.278 599 HG23 VAL 77 HG23 VAL 77 3.247 0.242 11.577 600 H GLY 78 H GLY 78 2.418 -1.516 10.316 601 HA2 GLY 78 HA2 GLY 78 0.661 -3.572 10.886 602 HA3 GLY 78 HA3 GLY 78 0.637 -2.574 9.446 603 H MET 79 H MET 79 3.012 -3.257 8.131 604 HA MET 79 HA MET 79 2.259 -5.655 6.946 605 HB2 MET 79 HB2 MET 79 3.668 -3.641 6.035 606 HB3 MET 79 HB3 MET 79 5.040 -4.382 6.833 607 HG2 MET 79 HG2 MET 79 5.318 -5.598 4.924 608 HG3 MET 79 HG3 MET 79 3.934 -6.538 5.446 609 HE1 MET 79 HE1 MET 79 4.500 -6.851 2.993 610 HE2 MET 79 HE2 MET 79 2.861 -6.745 2.308 611 HE3 MET 79 HE3 MET 79 4.156 -5.695 1.684 612 H GLY 80 H GLY 80 5.001 -4.824 9.174 613 HA2 GLY 80 HA2 GLY 80 6.314 -7.224 9.263 614 HA3 GLY 80 HA3 GLY 80 6.167 -6.109 10.607 615 H TYR 81 H TYR 81 3.298 -6.237 10.994 616 HA TYR 81 HA TYR 81 3.196 -8.778 12.368 617 HB2 TYR 81 HB2 TYR 81 2.495 -6.598 13.408 618 HB3 TYR 81 HB3 TYR 81 1.385 -6.301 12.085 619 HD1 TYR 81 HD2 TYR 81 -0.591 -7.937 11.785 620 HD2 TYR 81 HD1 TYR 81 1.780 -7.742 15.341 621 HE1 TYR 81 HE2 TYR 81 -2.446 -9.081 13.094 622 HE2 TYR 81 HE1 TYR 81 -0.083 -8.886 16.638 623 HH TYR 81 HH TYR 81 -2.145 -10.618 15.675 624 H SER 82 H SER 82 2.085 -7.370 9.368 625 HA SER 82 HA SER 82 0.512 -7.939 7.937 626 HB2 SER 82 HB2 SER 82 2.496 -9.803 8.013 627 HB3 SER 82 HB3 SER 82 1.122 -10.848 8.314 628 HG SER 82 HG SER 82 0.241 -9.416 6.334 629 H MET 83 H MET 83 -1.456 -7.409 9.051 630 HA MET 83 HA MET 83 -2.619 -8.974 10.978 631 HB2 MET 83 HB2 MET 83 -3.750 -7.067 8.869 632 HB3 MET 83 HB3 MET 83 -4.781 -7.785 10.090 633 HG2 MET 83 HG2 MET 83 -2.373 -6.679 11.332 634 HG3 MET 83 HG3 MET 83 -3.166 -5.456 10.358 635 HE1 MET 83 HE1 MET 83 -5.792 -4.163 12.241 636 HE2 MET 83 HE2 MET 83 -4.171 -4.004 12.958 637 HE3 MET 83 HE3 MET 83 -4.363 -4.031 11.188 638 H TYR 84 H TYR 84 -4.879 -10.091 10.698 639 HA TYR 84 HA TYR 84 -5.773 -12.040 10.034 640 HB2 TYR 84 HB2 TYR 84 -6.502 -9.972 8.490 641 HB3 TYR 84 HB3 TYR 84 -5.544 -10.765 7.256 642 HD1 TYR 84 HD1 TYR 84 -8.560 -11.059 9.374 643 HD2 TYR 84 HD2 TYR 84 -6.331 -12.759 6.143 644 HE1 TYR 84 HE1 TYR 84 -10.544 -12.529 8.769 645 HE2 TYR 84 HE2 TYR 84 -8.322 -14.223 5.548 646 HH TYR 84 HH TYR 84 -10.410 -15.150 7.131 647 H ARG 85 H ARG 85 -3.217 -12.723 10.352 648 HA ARG 85 HA ARG 85 -2.885 -14.823 8.654 649 HB2 ARG 85 HB2 ARG 85 -2.080 -12.471 7.338 650 HB3 ARG 85 HB3 ARG 85 -0.569 -13.126 7.935 651 HG2 ARG 85 HG2 ARG 85 -2.564 -14.912 6.499 652 HG3 ARG 85 HG3 ARG 85 -1.448 -13.913 5.589 653 HD2 ARG 85 HD2 ARG 85 0.482 -14.972 6.758 654 HD3 ARG 85 HD3 ARG 85 -0.615 -15.940 7.722 655 HE ARG 85 HE ARG 85 -0.843 -17.395 5.914 656 HH11 ARG 85 HH22 ARG 85 0.256 -14.260 4.682 657 HH12 ARG 85 HH21 ARG 85 0.438 -14.824 3.054 658 HH21 ARG 85 HH12 ARG 85 -0.602 -18.115 3.796 659 HH22 ARG 85 HH11 ARG 85 -0.055 -17.037 2.553 660 H GLU 86 H GLU 86 -1.305 -16.228 9.543 661 HA GLU 86 HA GLU 86 -0.255 -15.399 12.031 662 HB2 GLU 86 HB2 GLU 86 -1.026 -17.801 11.015 663 HB3 GLU 86 HB3 GLU 86 0.702 -17.937 10.759 664 HG2 GLU 86 HG2 GLU 86 1.199 -17.796 13.066 665 HG3 GLU 86 HG3 GLU 86 -0.303 -16.977 13.447 666 H PHE 87 H PHE 87 1.297 -13.760 11.773 667 HA PHE 87 HA PHE 87 3.864 -14.666 10.908 668 HB2 PHE 87 HB2 PHE 87 2.522 -13.859 8.815 669 HB3 PHE 87 HB3 PHE 87 2.513 -12.265 9.544 670 HD1 PHE 87 HD1 PHE 87 4.911 -11.366 10.238 671 HD2 PHE 87 HD2 PHE 87 4.208 -14.370 7.324 672 HE1 PHE 87 HE1 PHE 87 7.141 -10.877 9.195 673 HE2 PHE 87 HE2 PHE 87 6.438 -13.880 6.281 674 HZ PHE 87 HZ PHE 87 7.878 -12.139 7.229 675 H TRP 88 H TRP 88 5.147 -13.941 12.533 676 HA TRP 88 HA TRP 88 4.553 -11.257 13.583 677 HB2 TRP 88 HB2 TRP 88 4.950 -11.930 15.734 678 HB3 TRP 88 HB3 TRP 88 4.107 -13.317 15.073 679 HD1 TRP 88 HD1 TRP 88 6.336 -15.046 13.796 680 HE1 TRP 88 HE1 TRP 88 8.346 -16.127 15.121 681 HE3 TRP 88 HE3 TRP 88 6.159 -11.831 17.731 682 HZ2 TRP 88 HZ2 TRP 88 9.608 -15.530 17.610 683 HZ3 TRP 88 HZ3 TRP 88 7.815 -12.149 19.567 684 HH2 TRP 88 HH2 TRP 88 9.498 -13.922 19.549 685 H ALA 89 H ALA 89 6.560 -10.122 14.404 686 HA ALA 89 HA ALA 89 8.465 -9.845 12.519 687 HB1 ALA 89 HB1 ALA 89 8.070 -9.114 15.307 688 HB2 ALA 89 HB2 ALA 89 9.792 -9.404 14.966 689 HB3 ALA 89 HB3 ALA 89 8.884 -8.212 14.007 690 H LYS 90 H LYS 90 9.756 -11.335 11.564 691 HA LYS 90 HA LYS 90 11.383 -12.996 13.285 692 HB2 LYS 90 HB2 LYS 90 9.018 -14.063 12.300 693 HB3 LYS 90 HB3 LYS 90 10.209 -14.601 11.133 694 HG2 LYS 90 HG2 LYS 90 11.502 -14.975 13.602 695 HG3 LYS 90 HG3 LYS 90 9.841 -15.420 13.942 696 HD2 LYS 90 HD2 LYS 90 9.921 -16.878 11.818 697 HD3 LYS 90 HD3 LYS 90 11.647 -16.577 11.773 698 HE2 LYS 90 HE2 LYS 90 12.012 -18.176 13.340 699 HE3 LYS 90 HE3 LYS 90 10.943 -17.365 14.467 700 HZ1 LYS 90 HZ1 LYS 90 9.595 -19.128 14.155 701 HZ2 LYS 90 HZ2 LYS 90 9.238 -18.543 12.678 702 HZ3 LYS 90 HZ3 LYS 90 10.452 -19.626 12.853 703 HA PRO 91 HA PRO 91 13.483 -11.288 9.679 704 HB2 PRO 91 HB2 PRO 91 15.551 -10.095 11.009 705 HB3 PRO 91 HB3 PRO 91 14.085 -9.247 10.559 706 HG2 PRO 91 HG2 PRO 91 14.922 -10.217 13.223 707 HG3 PRO 91 HG3 PRO 91 13.703 -9.023 12.822 708 HD2 PRO 91 HD2 PRO 91 13.247 -11.739 13.623 709 HD3 PRO 91 HD3 PRO 91 12.036 -10.580 13.110 710 H LYS 92 H LYS 92 13.484 -13.824 9.760 711 HA LYS 92 HA LYS 92 16.324 -14.504 10.081 712 HB2 LYS 92 HB2 LYS 92 14.608 -15.490 11.764 713 HB3 LYS 92 HB3 LYS 92 14.092 -16.500 10.428 714 HG2 LYS 92 HG2 LYS 92 16.855 -16.747 10.278 715 HG3 LYS 92 HG3 LYS 92 16.609 -16.595 12.006 716 HD2 LYS 92 HD2 LYS 92 14.679 -18.382 11.608 717 HD3 LYS 92 HD3 LYS 92 15.550 -18.720 10.125 718 HE2 LYS 92 HE2 LYS 92 17.247 -19.785 11.228 719 HE3 LYS 92 HE3 LYS 92 17.357 -18.536 12.452 720 HZ1 LYS 92 HZ1 LYS 92 15.038 -20.336 12.534 721 HZ2 LYS 92 HZ2 LYS 92 16.467 -20.909 13.065 722 HZ3 LYS 92 HZ3 LYS 92 15.832 -19.559 13.736 723 HA PRO 93 HA PRO 93 15.295 -15.050 5.760 724 HB2 PRO 93 HB2 PRO 93 17.614 -14.020 4.745 725 HB3 PRO 93 HB3 PRO 93 16.173 -13.059 5.008 726 HG2 PRO 93 HG2 PRO 93 18.669 -13.125 6.589 727 HG3 PRO 93 HG3 PRO 93 17.414 -11.902 6.570 728 HD2 PRO 93 HD2 PRO 93 17.838 -13.894 8.590 729 HD3 PRO 93 HD3 PRO 93 16.517 -12.746 8.511 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -17.970 -12.062 10.095 2 HA MET 1 HA MET 1 -17.123 -14.275 8.421 3 HB2 MET 1 HB2 MET 1 -19.181 -12.244 7.812 4 HB3 MET 1 HB3 MET 1 -17.879 -12.188 6.639 5 HG2 MET 1 HG2 MET 1 -19.055 -13.879 5.619 6 HG3 MET 1 HG3 MET 1 -18.240 -14.900 6.786 7 HE1 MET 1 HE1 MET 1 -21.156 -16.119 5.783 8 HE2 MET 1 HE2 MET 1 -22.447 -14.932 6.088 9 HE3 MET 1 HE3 MET 1 -21.046 -14.485 5.086 10 H SER 2 H SER 2 -15.028 -14.033 7.714 11 HA SER 2 HA SER 2 -13.548 -11.879 8.664 12 HB2 SER 2 HB2 SER 2 -13.055 -14.257 6.908 13 HB3 SER 2 HB3 SER 2 -11.895 -12.950 6.784 14 HG SER 2 HG SER 2 -11.154 -14.318 8.418 15 H THR 3 H THR 3 -12.391 -10.201 7.428 16 HA THR 3 HA THR 3 -13.961 -8.753 5.714 17 HB THR 3 HB THR 3 -11.880 -7.484 5.308 18 HG1 THR 3 HG1 THR 3 -10.718 -9.917 6.474 19 HG21 THR 3 HG21 THR 3 -11.446 -6.907 7.508 20 HG22 THR 3 HG22 THR 3 -12.832 -7.970 7.849 21 HG23 THR 3 HG23 THR 3 -11.172 -8.597 7.993 22 H ASP 4 H ASP 4 -11.134 -10.797 4.701 23 HA ASP 4 HA ASP 4 -12.639 -11.322 2.278 24 HB2 ASP 4 HB2 ASP 4 -10.295 -11.169 1.096 25 HB3 ASP 4 HB3 ASP 4 -11.194 -9.696 1.400 26 H THR 5 H THR 5 -12.737 -13.567 2.114 27 HA THR 5 HA THR 5 -10.673 -15.123 3.487 28 HB THR 5 HB THR 5 -12.397 -16.954 3.211 29 HG1 THR 5 HG1 THR 5 -14.298 -16.349 2.081 30 HG21 THR 5 HG21 THR 5 -13.864 -14.477 4.193 31 HG22 THR 5 HG22 THR 5 -13.953 -16.140 4.820 32 HG23 THR 5 HG23 THR 5 -12.511 -15.146 5.136 33 H GLY 6 H GLY 6 -12.437 -15.074 0.316 34 HA2 GLY 6 HA2 GLY 6 -10.078 -16.433 -0.840 35 HA3 GLY 6 HA3 GLY 6 -11.725 -16.592 -1.418 36 H VAL 7 H VAL 7 -12.619 -15.037 -2.816 37 HA VAL 7 HA VAL 7 -11.229 -12.548 -3.213 38 HB VAL 7 HB VAL 7 -9.916 -14.157 -4.546 39 HG11 VAL 7 HG11 VAL 7 -10.792 -15.659 -5.976 40 HG12 VAL 7 HG12 VAL 7 -12.314 -15.374 -5.099 41 HG13 VAL 7 HG13 VAL 7 -11.985 -14.504 -6.616 42 HG21 VAL 7 HG21 VAL 7 -11.423 -11.880 -5.759 43 HG22 VAL 7 HG22 VAL 7 -9.677 -12.082 -5.479 44 HG23 VAL 7 HG23 VAL 7 -10.462 -12.912 -6.845 45 H SER 8 H SER 8 -12.943 -11.194 -3.056 46 HA SER 8 HA SER 8 -15.034 -11.498 -4.952 47 HB2 SER 8 HB2 SER 8 -15.436 -12.289 -2.115 48 HB3 SER 8 HB3 SER 8 -16.640 -11.170 -2.723 49 HG SER 8 HG SER 8 -16.038 -13.831 -3.585 50 H LEU 9 H LEU 9 -13.723 -9.453 -5.399 51 HA LEU 9 HA LEU 9 -15.065 -7.237 -4.128 52 HB2 LEU 9 HB2 LEU 9 -12.682 -8.024 -3.035 53 HB3 LEU 9 HB3 LEU 9 -12.156 -6.833 -4.207 54 HG LEU 9 HG LEU 9 -13.915 -5.269 -3.167 55 HD11 LEU 9 HD11 LEU 9 -14.139 -7.627 -1.405 56 HD12 LEU 9 HD12 LEU 9 -13.996 -6.061 -0.569 57 HD13 LEU 9 HD13 LEU 9 -15.303 -6.325 -1.749 58 HD21 LEU 9 HD21 LEU 9 -12.356 -4.713 -1.250 59 HD22 LEU 9 HD22 LEU 9 -11.401 -6.136 -1.730 60 HD23 LEU 9 HD23 LEU 9 -11.618 -4.785 -2.869 61 HA PRO 10 HA PRO 10 -14.519 -6.663 -8.510 62 HB2 PRO 10 HB2 PRO 10 -16.976 -5.566 -8.986 63 HB3 PRO 10 HB3 PRO 10 -16.656 -7.284 -9.101 64 HG2 PRO 10 HG2 PRO 10 -18.081 -5.803 -6.976 65 HG3 PRO 10 HG3 PRO 10 -18.115 -7.519 -7.330 66 HD2 PRO 10 HD2 PRO 10 -16.684 -6.234 -5.202 67 HD3 PRO 10 HD3 PRO 10 -16.627 -7.933 -5.627 68 H SER 11 H SER 11 -12.839 -5.201 -7.499 69 HA SER 11 HA SER 11 -13.393 -2.686 -6.741 70 HB2 SER 11 HB2 SER 11 -11.099 -4.156 -7.583 71 HB3 SER 11 HB3 SER 11 -11.063 -2.653 -8.484 72 HG SER 11 HG SER 11 -11.148 -1.467 -6.518 73 H TYR 12 H TYR 12 -12.694 -3.788 -10.141 74 HA TYR 12 HA TYR 12 -14.348 -1.558 -11.078 75 HB2 TYR 12 HB2 TYR 12 -11.462 -1.955 -11.248 76 HB3 TYR 12 HB3 TYR 12 -12.112 -2.179 -12.860 77 HD1 TYR 12 HD2 TYR 12 -13.947 -0.275 -13.517 78 HD2 TYR 12 HD1 TYR 12 -10.765 0.183 -10.694 79 HE1 TYR 12 HE2 TYR 12 -14.021 2.247 -13.831 80 HE2 TYR 12 HE1 TYR 12 -10.850 2.703 -11.018 81 HH TYR 12 HH TYR 12 -11.563 4.299 -12.522 82 H GLU 13 H GLU 13 -12.440 -4.472 -12.134 83 HA GLU 13 HA GLU 13 -14.744 -5.120 -13.804 84 HB2 GLU 13 HB2 GLU 13 -11.877 -4.998 -14.391 85 HB3 GLU 13 HB3 GLU 13 -12.524 -6.583 -14.762 86 HG2 GLU 13 HG2 GLU 13 -14.093 -4.159 -15.648 87 HG3 GLU 13 HG3 GLU 13 -12.644 -4.578 -16.539 88 H GLU 14 H GLU 14 -15.611 -7.219 -13.680 89 HA GLU 14 HA GLU 14 -14.993 -8.603 -11.302 90 HB2 GLU 14 HB2 GLU 14 -17.159 -8.467 -13.119 91 HB3 GLU 14 HB3 GLU 14 -16.615 -10.130 -13.198 92 HG2 GLU 14 HG2 GLU 14 -17.140 -10.566 -10.969 93 HG3 GLU 14 HG3 GLU 14 -16.833 -8.919 -10.457 94 H ASP 15 H ASP 15 -13.461 -10.161 -10.990 95 HA ASP 15 HA ASP 15 -11.883 -11.593 -11.395 96 HB2 ASP 15 HB2 ASP 15 -14.087 -12.731 -12.410 97 HB3 ASP 15 HB3 ASP 15 -13.233 -12.543 -13.929 98 H GLN 16 H GLN 16 -10.182 -10.116 -12.017 99 HA GLN 16 HA GLN 16 -9.114 -10.485 -14.524 100 HB2 GLN 16 HB2 GLN 16 -11.213 -8.701 -14.742 101 HB3 GLN 16 HB3 GLN 16 -9.865 -7.610 -14.487 102 HG2 GLN 16 HG2 GLN 16 -10.019 -9.783 -16.630 103 HG3 GLN 16 HG3 GLN 16 -10.200 -8.062 -16.905 104 HE21 GLN 16 HE21 GLN 16 -8.344 -9.447 -18.287 105 HE22 GLN 16 HE22 GLN 16 -6.736 -9.036 -17.791 106 H GLY 17 H GLY 17 -9.559 -7.943 -11.968 107 HA2 GLY 17 HA2 GLY 17 -7.213 -6.660 -11.931 108 HA3 GLY 17 HA3 GLY 17 -8.046 -7.156 -10.471 109 H SER 18 H SER 18 -7.750 -9.790 -10.144 110 HA SER 18 HA SER 18 -5.283 -10.148 -9.196 111 HB2 SER 18 HB2 SER 18 -7.406 -12.036 -10.181 112 HB3 SER 18 HB3 SER 18 -5.839 -12.720 -9.797 113 HG SER 18 HG SER 18 -7.618 -11.262 -8.051 114 H LYS 19 H LYS 19 -6.463 -11.061 -12.502 115 HA LYS 19 HA LYS 19 -4.126 -12.246 -13.392 116 HB2 LYS 19 HB2 LYS 19 -6.284 -10.749 -14.907 117 HB3 LYS 19 HB3 LYS 19 -5.028 -11.705 -15.668 118 HG2 LYS 19 HG2 LYS 19 -6.027 -13.441 -13.709 119 HG3 LYS 19 HG3 LYS 19 -7.465 -12.596 -14.249 120 HD2 LYS 19 HD2 LYS 19 -6.246 -13.119 -16.668 121 HD3 LYS 19 HD3 LYS 19 -5.714 -14.503 -15.734 122 HE2 LYS 19 HE2 LYS 19 -7.738 -15.460 -16.098 123 HE3 LYS 19 HE3 LYS 19 -8.461 -14.222 -15.090 124 HZ1 LYS 19 HZ1 LYS 19 -8.690 -12.820 -17.077 125 HZ2 LYS 19 HZ2 LYS 19 -8.008 -13.962 -18.017 126 HZ3 LYS 19 HZ3 LYS 19 -9.427 -14.269 -17.263 127 H LEU 20 H LEU 20 -5.172 -8.792 -13.402 128 HA LEU 20 HA LEU 20 -2.963 -7.848 -14.835 129 HB2 LEU 20 HB2 LEU 20 -5.309 -6.821 -13.907 130 HB3 LEU 20 HB3 LEU 20 -4.162 -6.068 -12.817 131 HG LEU 20 HG LEU 20 -4.774 -4.749 -14.878 132 HD11 LEU 20 HD11 LEU 20 -2.284 -4.217 -15.400 133 HD12 LEU 20 HD12 LEU 20 -2.920 -3.928 -13.763 134 HD13 LEU 20 HD13 LEU 20 -1.942 -5.378 -14.094 135 HD21 LEU 20 HD21 LEU 20 -4.514 -6.972 -16.296 136 HD22 LEU 20 HD22 LEU 20 -4.198 -5.367 -16.998 137 HD23 LEU 20 HD23 LEU 20 -2.841 -6.386 -16.460 138 H ILE 21 H ILE 21 -3.394 -8.905 -11.500 139 HA ILE 21 HA ILE 21 -0.959 -7.602 -10.647 140 HB ILE 21 HB ILE 21 -2.954 -9.400 -9.275 141 HG12 ILE 21 HG12 ILE 21 -2.368 -6.564 -8.507 142 HG13 ILE 21 HG13 ILE 21 -3.353 -6.862 -9.925 143 HG21 ILE 21 HG21 ILE 21 -0.234 -8.567 -8.460 144 HG22 ILE 21 HG22 ILE 21 -1.513 -8.352 -7.241 145 HG23 ILE 21 HG23 ILE 21 -1.220 -9.958 -7.949 146 HD11 ILE 21 HD11 ILE 21 -4.407 -6.712 -7.443 147 HD12 ILE 21 HD12 ILE 21 -5.106 -7.754 -8.705 148 HD13 ILE 21 HD13 ILE 21 -4.030 -8.451 -7.471 149 H ARG 22 H ARG 22 -1.983 -10.564 -12.155 150 HA ARG 22 HA ARG 22 0.040 -12.190 -11.111 151 HB2 ARG 22 HB2 ARG 22 -2.117 -12.933 -12.293 152 HB3 ARG 22 HB3 ARG 22 -1.367 -12.481 -13.811 153 HG2 ARG 22 HG2 ARG 22 0.040 -14.303 -13.818 154 HG3 ARG 22 HG3 ARG 22 0.329 -14.221 -12.092 155 HD2 ARG 22 HD2 ARG 22 -1.114 -15.949 -11.799 156 HD3 ARG 22 HD3 ARG 22 -2.420 -14.925 -12.363 157 HE ARG 22 HE ARG 22 -0.955 -15.919 -14.629 158 HH11 ARG 22 HH22 ARG 22 -3.225 -17.019 -12.141 159 HH12 ARG 22 HH21 ARG 22 -3.875 -18.292 -13.121 160 HH21 ARG 22 HH12 ARG 22 -1.807 -17.575 -15.891 161 HH22 ARG 22 HH11 ARG 22 -3.056 -18.605 -15.271 162 H LYS 23 H LYS 23 2.087 -11.133 -11.307 163 HA LYS 23 HA LYS 23 3.022 -10.892 -14.078 164 HB2 LYS 23 HB2 LYS 23 2.714 -8.788 -12.188 165 HB3 LYS 23 HB3 LYS 23 4.434 -9.077 -12.355 166 HG2 LYS 23 HG2 LYS 23 4.261 -8.889 -14.821 167 HG3 LYS 23 HG3 LYS 23 2.522 -8.705 -14.709 168 HD2 LYS 23 HD2 LYS 23 2.976 -6.462 -14.700 169 HD3 LYS 23 HD3 LYS 23 3.328 -6.708 -13.001 170 HE2 LYS 23 HE2 LYS 23 5.756 -7.350 -13.886 171 HE3 LYS 23 HE3 LYS 23 5.265 -6.466 -15.317 172 HZ1 LYS 23 HZ1 LYS 23 5.499 -4.531 -14.213 173 HZ2 LYS 23 HZ2 LYS 23 4.625 -5.024 -12.930 174 HZ3 LYS 23 HZ3 LYS 23 6.214 -5.404 -13.028 175 H ALA 24 H ALA 24 4.433 -10.675 -10.737 176 HA ALA 24 HA ALA 24 6.364 -12.709 -11.602 177 HB1 ALA 24 HB1 ALA 24 7.492 -10.699 -11.021 178 HB2 ALA 24 HB2 ALA 24 6.463 -10.439 -9.593 179 HB3 ALA 24 HB3 ALA 24 7.662 -11.754 -9.598 180 H LYS 25 H LYS 25 6.294 -14.703 -10.677 181 HA LYS 25 HA LYS 25 4.212 -15.581 -9.185 182 HB2 LYS 25 HB2 LYS 25 6.663 -16.611 -10.153 183 HB3 LYS 25 HB3 LYS 25 6.599 -17.032 -8.454 184 HG2 LYS 25 HG2 LYS 25 4.408 -18.090 -8.724 185 HG3 LYS 25 HG3 LYS 25 4.267 -17.498 -10.368 186 HD2 LYS 25 HD2 LYS 25 5.328 -19.346 -11.135 187 HD3 LYS 25 HD3 LYS 25 6.756 -18.918 -10.214 188 HE2 LYS 25 HE2 LYS 25 6.318 -20.462 -8.578 189 HE3 LYS 25 HE3 LYS 25 4.611 -20.069 -8.528 190 HZ1 LYS 25 HZ1 LYS 25 4.878 -22.291 -9.386 191 HZ2 LYS 25 HZ2 LYS 25 4.367 -21.369 -10.627 192 HZ3 LYS 25 HZ3 LYS 25 5.950 -21.765 -10.506 193 H GLU 26 H GLU 26 3.785 -15.966 -6.959 194 HA GLU 26 HA GLU 26 3.845 -15.604 -4.815 195 HB2 GLU 26 HB2 GLU 26 6.669 -15.559 -5.501 196 HB3 GLU 26 HB3 GLU 26 6.364 -14.404 -4.218 197 HG2 GLU 26 HG2 GLU 26 5.423 -16.083 -2.775 198 HG3 GLU 26 HG3 GLU 26 5.238 -17.228 -4.089 199 H ALA 27 H ALA 27 4.772 -13.554 -3.158 200 HA ALA 27 HA ALA 27 4.284 -11.053 -4.547 201 HB1 ALA 27 HB1 ALA 27 2.578 -10.651 -2.510 202 HB2 ALA 27 HB2 ALA 27 2.050 -11.328 -4.070 203 HB3 ALA 27 HB3 ALA 27 2.364 -12.409 -2.691 204 HA PRO 28 HA PRO 28 7.352 -10.896 -1.222 205 HB2 PRO 28 HB2 PRO 28 9.431 -9.905 -2.692 206 HB3 PRO 28 HB3 PRO 28 9.200 -11.616 -2.391 207 HG2 PRO 28 HG2 PRO 28 8.698 -10.086 -4.870 208 HG3 PRO 28 HG3 PRO 28 8.883 -11.817 -4.666 209 HD2 PRO 28 HD2 PRO 28 6.427 -10.387 -5.056 210 HD3 PRO 28 HD3 PRO 28 6.602 -12.101 -4.737 211 H PHE 29 H PHE 29 8.954 -8.906 -0.676 212 HA PHE 29 HA PHE 29 7.073 -6.701 -0.653 213 HB2 PHE 29 HB2 PHE 29 8.174 -7.349 1.451 214 HB3 PHE 29 HB3 PHE 29 9.744 -7.416 0.676 215 HD1 PHE 29 HD2 PHE 29 10.758 -5.222 -0.155 216 HD2 PHE 29 HD1 PHE 29 7.439 -5.378 2.485 217 HE1 PHE 29 HE2 PHE 29 11.206 -2.854 0.548 218 HE2 PHE 29 HE1 PHE 29 7.887 -3.010 3.188 219 HZ PHE 29 HZ PHE 29 9.765 -1.777 2.211 220 H VAL 30 H VAL 30 9.838 -7.792 -2.438 221 HA VAL 30 HA VAL 30 11.234 -5.511 -2.970 222 HB VAL 30 HB VAL 30 10.733 -8.097 -4.235 223 HG11 VAL 30 HG11 VAL 30 11.909 -7.270 -6.399 224 HG12 VAL 30 HG12 VAL 30 10.153 -7.032 -6.230 225 HG13 VAL 30 HG13 VAL 30 11.267 -5.673 -5.947 226 HG21 VAL 30 HG21 VAL 30 12.750 -7.139 -2.844 227 HG22 VAL 30 HG22 VAL 30 13.037 -8.277 -4.183 228 HG23 VAL 30 HG23 VAL 30 13.290 -6.532 -4.428 229 HA PRO 31 HA PRO 31 7.974 -4.402 -6.212 230 HB2 PRO 31 HB2 PRO 31 5.616 -5.779 -6.322 231 HB3 PRO 31 HB3 PRO 31 6.988 -6.144 -7.350 232 HG2 PRO 31 HG2 PRO 31 5.996 -7.622 -4.990 233 HG3 PRO 31 HG3 PRO 31 7.069 -8.175 -6.260 234 HD2 PRO 31 HD2 PRO 31 7.814 -7.397 -3.602 235 HD3 PRO 31 HD3 PRO 31 8.897 -7.839 -4.907 236 H VAL 32 H VAL 32 7.180 -5.189 -3.012 237 HA VAL 32 HA VAL 32 4.924 -3.462 -2.847 238 HB VAL 32 HB VAL 32 6.725 -4.726 -0.774 239 HG11 VAL 32 HG11 VAL 32 4.024 -3.410 -0.335 240 HG12 VAL 32 HG12 VAL 32 5.080 -4.145 0.895 241 HG13 VAL 32 HG13 VAL 32 5.590 -2.660 0.057 242 HG21 VAL 32 HG21 VAL 32 3.890 -5.503 -1.494 243 HG22 VAL 32 HG22 VAL 32 5.308 -6.199 -2.315 244 HG23 VAL 32 HG23 VAL 32 5.095 -6.425 -0.563 245 H GLY 33 H GLY 33 8.451 -3.214 -2.130 246 HA2 GLY 33 HA2 GLY 33 8.249 -0.551 -1.095 247 HA3 GLY 33 HA3 GLY 33 9.705 -1.440 -1.495 248 H ILE 34 H ILE 34 9.347 -2.053 -4.216 249 HA ILE 34 HA ILE 34 10.099 0.358 -5.406 250 HB ILE 34 HB ILE 34 9.361 -2.364 -6.436 251 HG12 ILE 34 HG12 ILE 34 11.977 -0.830 -6.390 252 HG13 ILE 34 HG13 ILE 34 11.503 -2.052 -5.226 253 HG21 ILE 34 HG21 ILE 34 10.259 -0.017 -8.130 254 HG22 ILE 34 HG22 ILE 34 10.019 -1.694 -8.675 255 HG23 ILE 34 HG23 ILE 34 8.628 -0.730 -8.125 256 HD11 ILE 34 HD11 ILE 34 12.690 -3.390 -6.699 257 HD12 ILE 34 HD12 ILE 34 11.085 -3.501 -7.460 258 HD13 ILE 34 HD13 ILE 34 12.299 -2.371 -8.105 259 H ALA 35 H ALA 35 7.079 -1.614 -5.881 260 HA ALA 35 HA ALA 35 5.802 0.370 -7.393 261 HB1 ALA 35 HB1 ALA 35 4.293 -1.626 -5.718 262 HB2 ALA 35 HB2 ALA 35 4.007 -1.107 -7.397 263 HB3 ALA 35 HB3 ALA 35 5.352 -2.211 -7.023 264 H GLY 36 H GLY 36 5.295 -0.651 -3.936 265 HA2 GLY 36 HA2 GLY 36 3.473 1.082 -3.057 266 HA3 GLY 36 HA3 GLY 36 4.892 0.657 -2.120 267 H PHE 37 H PHE 37 6.988 1.891 -3.510 268 HA PHE 37 HA PHE 37 6.722 4.535 -2.626 269 HB2 PHE 37 HB2 PHE 37 8.815 3.036 -2.944 270 HB3 PHE 37 HB3 PHE 37 8.661 3.298 -4.670 271 HD1 PHE 37 HD1 PHE 37 9.195 5.460 -5.654 272 HD2 PHE 37 HD2 PHE 37 9.580 4.818 -1.477 273 HE1 PHE 37 HE1 PHE 37 10.567 7.553 -5.459 274 HE2 PHE 37 HE2 PHE 37 10.952 6.911 -1.282 275 HZ PHE 37 HZ PHE 37 11.429 8.253 -3.275 276 H ALA 38 H ALA 38 6.901 3.124 -5.973 277 HA ALA 38 HA ALA 38 6.707 5.465 -7.381 278 HB1 ALA 38 HB1 ALA 38 5.148 3.248 -8.523 279 HB2 ALA 38 HB2 ALA 38 6.626 4.034 -9.128 280 HB3 ALA 38 HB3 ALA 38 6.740 2.739 -7.913 281 H ALA 39 H ALA 39 3.955 3.265 -6.462 282 HA ALA 39 HA ALA 39 1.935 4.918 -7.336 283 HB1 ALA 39 HB1 ALA 39 0.621 3.654 -5.483 284 HB2 ALA 39 HB2 ALA 39 1.383 2.696 -6.775 285 HB3 ALA 39 HB3 ALA 39 2.157 2.808 -5.176 286 H ILE 40 H ILE 40 3.223 4.604 -3.945 287 HA ILE 40 HA ILE 40 1.786 6.493 -2.708 288 HB ILE 40 HB ILE 40 4.608 5.573 -2.458 289 HG12 ILE 40 HG12 ILE 40 2.765 4.193 -1.616 290 HG13 ILE 40 HG13 ILE 40 3.818 4.730 -0.323 291 HG21 ILE 40 HG21 ILE 40 3.438 7.944 -0.992 292 HG22 ILE 40 HG22 ILE 40 4.809 6.990 -0.376 293 HG23 ILE 40 HG23 ILE 40 4.952 7.857 -1.924 294 HD11 ILE 40 HD11 ILE 40 1.967 5.512 0.727 295 HD12 ILE 40 HD12 ILE 40 1.886 6.776 -0.524 296 HD13 ILE 40 HD13 ILE 40 0.970 5.263 -0.727 297 H VAL 41 H VAL 41 4.675 7.084 -4.802 298 HA VAL 41 HA VAL 41 4.718 9.850 -4.431 299 HB VAL 41 HB VAL 41 5.653 8.069 -6.685 300 HG11 VAL 41 HG11 VAL 41 5.527 10.153 -7.736 301 HG12 VAL 41 HG12 VAL 41 5.970 11.039 -6.257 302 HG13 VAL 41 HG13 VAL 41 7.202 10.100 -7.135 303 HG21 VAL 41 HG21 VAL 41 7.419 7.604 -5.402 304 HG22 VAL 41 HG22 VAL 41 7.716 9.332 -5.093 305 HG23 VAL 41 HG23 VAL 41 6.592 8.422 -4.055 306 H ALA 42 H ALA 42 3.095 7.763 -6.903 307 HA ALA 42 HA ALA 42 2.064 9.798 -8.460 308 HB1 ALA 42 HB1 ALA 42 0.884 8.103 -9.489 309 HB2 ALA 42 HB2 ALA 42 2.084 7.128 -8.608 310 HB3 ALA 42 HB3 ALA 42 0.442 7.328 -7.950 311 H TYR 43 H TYR 43 0.397 7.978 -5.783 312 HA TYR 43 HA TYR 43 -1.917 9.380 -5.691 313 HB2 TYR 43 HB2 TYR 43 -0.022 8.040 -3.732 314 HB3 TYR 43 HB3 TYR 43 -1.345 8.949 -3.029 315 HD1 TYR 43 HD2 TYR 43 -3.655 8.420 -4.625 316 HD2 TYR 43 HD1 TYR 43 -0.444 5.765 -3.652 317 HE1 TYR 43 HE2 TYR 43 -5.195 6.424 -4.956 318 HE2 TYR 43 HE1 TYR 43 -1.995 3.778 -3.987 319 HH TYR 43 HH TYR 43 -5.360 4.272 -5.016 320 H GLY 44 H GLY 44 1.023 10.156 -3.686 321 HA2 GLY 44 HA2 GLY 44 0.133 12.452 -2.497 322 HA3 GLY 44 HA3 GLY 44 1.800 12.129 -2.929 323 H LEU 45 H LEU 45 1.787 12.131 -5.719 324 HA LEU 45 HA LEU 45 1.910 14.816 -6.311 325 HB2 LEU 45 HB2 LEU 45 2.777 12.602 -7.484 326 HB3 LEU 45 HB3 LEU 45 1.347 12.836 -8.469 327 HG LEU 45 HG LEU 45 2.591 15.357 -8.387 328 HD11 LEU 45 HD11 LEU 45 4.590 14.088 -7.491 329 HD12 LEU 45 HD12 LEU 45 4.675 13.278 -9.073 330 HD13 LEU 45 HD13 LEU 45 4.863 15.045 -8.967 331 HD21 LEU 45 HD21 LEU 45 1.977 13.251 -10.359 332 HD22 LEU 45 HD22 LEU 45 1.668 15.003 -10.404 333 HD23 LEU 45 HD23 LEU 45 3.277 14.372 -10.828 334 H TYR 46 H TYR 46 -0.736 12.436 -6.988 335 HA TYR 46 HA TYR 46 -2.401 14.338 -8.240 336 HB2 TYR 46 HB2 TYR 46 -2.520 11.574 -6.982 337 HB3 TYR 46 HB3 TYR 46 -4.057 12.366 -7.267 338 HD1 TYR 46 HD2 TYR 46 -0.865 12.048 -9.232 339 HD2 TYR 46 HD1 TYR 46 -5.115 11.563 -9.160 340 HE1 TYR 46 HE2 TYR 46 -0.824 11.270 -11.652 341 HE2 TYR 46 HE1 TYR 46 -5.060 10.787 -11.580 342 HH TYR 46 HH TYR 46 -2.461 9.696 -13.063 343 H LYS 47 H LYS 47 -2.351 12.934 -4.891 344 HA LYS 47 HA LYS 47 -4.553 14.218 -3.902 345 HB2 LYS 47 HB2 LYS 47 -2.400 12.681 -2.903 346 HB3 LYS 47 HB3 LYS 47 -2.454 14.129 -1.918 347 HG2 LYS 47 HG2 LYS 47 -4.789 13.765 -1.350 348 HG3 LYS 47 HG3 LYS 47 -4.955 12.505 -2.556 349 HD2 LYS 47 HD2 LYS 47 -2.779 12.013 -0.588 350 HD3 LYS 47 HD3 LYS 47 -4.379 12.075 0.124 351 HE2 LYS 47 HE2 LYS 47 -4.842 10.524 -2.132 352 HE3 LYS 47 HE3 LYS 47 -3.206 10.052 -1.716 353 HZ1 LYS 47 HZ1 LYS 47 -4.645 8.658 -0.469 354 HZ2 LYS 47 HZ2 LYS 47 -4.092 9.730 0.625 355 HZ3 LYS 47 HZ3 LYS 47 -5.583 9.922 -0.022 356 H LEU 48 H LEU 48 -1.147 15.426 -4.102 357 HA LEU 48 HA LEU 48 -1.323 17.749 -2.779 358 HB2 LEU 48 HB2 LEU 48 0.415 16.589 -4.569 359 HB3 LEU 48 HB3 LEU 48 -0.050 18.061 -5.399 360 HG LEU 48 HG LEU 48 0.581 18.597 -2.611 361 HD11 LEU 48 HD11 LEU 48 3.173 18.190 -3.452 362 HD12 LEU 48 HD12 LEU 48 2.272 17.173 -2.302 363 HD13 LEU 48 HD13 LEU 48 2.335 16.728 -4.024 364 HD21 LEU 48 HD21 LEU 48 1.847 20.377 -3.511 365 HD22 LEU 48 HD22 LEU 48 2.007 19.572 -5.091 366 HD23 LEU 48 HD23 LEU 48 0.426 20.201 -4.568 367 H LYS 49 H LYS 49 -2.023 17.548 -6.344 368 HA LYS 49 HA LYS 49 -3.071 20.032 -6.642 369 HB2 LYS 49 HB2 LYS 49 -2.636 18.028 -8.307 370 HB3 LYS 49 HB3 LYS 49 -4.344 17.722 -8.072 371 HG2 LYS 49 HG2 LYS 49 -4.620 20.312 -8.531 372 HG3 LYS 49 HG3 LYS 49 -3.014 20.194 -9.221 373 HD2 LYS 49 HD2 LYS 49 -5.163 18.225 -10.062 374 HD3 LYS 49 HD3 LYS 49 -5.129 19.830 -10.766 375 HE2 LYS 49 HE2 LYS 49 -2.465 19.087 -10.976 376 HE3 LYS 49 HE3 LYS 49 -3.269 17.544 -11.180 377 HZ1 LYS 49 HZ1 LYS 49 -2.937 19.111 -13.224 378 HZ2 LYS 49 HZ2 LYS 49 -4.330 18.278 -13.093 379 HZ3 LYS 49 HZ3 LYS 49 -4.272 19.847 -12.630 380 H SER 50 H SER 50 -4.958 21.106 -6.169 381 HA SER 50 HA SER 50 -6.853 19.542 -4.604 382 HB2 SER 50 HB2 SER 50 -5.516 21.915 -3.971 383 HB3 SER 50 HB3 SER 50 -7.099 22.482 -4.463 384 HG SER 50 HG SER 50 -6.715 21.816 -2.106 385 H ARG 51 H ARG 51 -8.079 18.775 -6.438 386 HA ARG 51 HA ARG 51 -10.174 20.367 -7.153 387 HB2 ARG 51 HB2 ARG 51 -7.875 21.040 -8.684 388 HB3 ARG 51 HB3 ARG 51 -8.851 20.057 -9.757 389 HG2 ARG 51 HG2 ARG 51 -10.147 22.285 -8.157 390 HG3 ARG 51 HG3 ARG 51 -9.273 22.664 -9.628 391 HD2 ARG 51 HD2 ARG 51 -10.822 20.531 -10.473 392 HD3 ARG 51 HD3 ARG 51 -11.882 21.262 -9.285 393 HE ARG 51 HE ARG 51 -10.831 23.364 -10.892 394 HH11 ARG 51 HH22 ARG 51 -12.982 20.571 -11.244 395 HH12 ARG 51 HH21 ARG 51 -13.897 21.281 -12.532 396 HH21 ARG 51 HH12 ARG 51 -12.027 24.275 -12.564 397 HH22 ARG 51 HH11 ARG 51 -13.344 23.406 -13.285 398 H GLY 52 H GLY 52 -11.136 18.297 -6.597 399 HA2 GLY 52 HA2 GLY 52 -12.189 16.689 -8.329 400 HA3 GLY 52 HA3 GLY 52 -10.554 16.065 -8.420 401 H ASN 53 H ASN 53 -11.144 13.999 -7.553 402 HA ASN 53 HA ASN 53 -12.637 13.639 -5.292 403 HB2 ASN 53 HB2 ASN 53 -10.587 12.052 -6.809 404 HB3 ASN 53 HB3 ASN 53 -10.895 11.510 -5.172 405 HD21 ASN 53 HD21 ASN 53 -11.746 9.594 -6.086 406 HD22 ASN 53 HD22 ASN 53 -13.363 9.518 -6.701 407 H THR 54 H THR 54 -12.188 14.433 -3.231 408 HA THR 54 HA THR 54 -9.379 14.843 -2.506 409 HB THR 54 HB THR 54 -11.096 16.729 -2.397 410 HG1 THR 54 HG1 THR 54 -10.144 17.325 -0.381 411 HG21 THR 54 HG21 THR 54 -12.500 14.701 -0.793 412 HG22 THR 54 HG22 THR 54 -12.193 16.177 0.154 413 HG23 THR 54 HG23 THR 54 -13.095 16.273 -1.378 414 H LYS 55 H LYS 55 -8.527 14.119 -0.486 415 HA LYS 55 HA LYS 55 -9.987 12.499 1.260 416 HB2 LYS 55 HB2 LYS 55 -9.718 11.096 -0.991 417 HB3 LYS 55 HB3 LYS 55 -8.141 10.749 -0.313 418 HG2 LYS 55 HG2 LYS 55 -9.373 10.137 1.881 419 HG3 LYS 55 HG3 LYS 55 -10.858 10.199 0.952 420 HD2 LYS 55 HD2 LYS 55 -9.639 8.568 -0.708 421 HD3 LYS 55 HD3 LYS 55 -8.506 8.308 0.604 422 HE2 LYS 55 HE2 LYS 55 -11.528 7.950 0.875 423 HE3 LYS 55 HE3 LYS 55 -10.419 6.638 0.533 424 HZ1 LYS 55 HZ1 LYS 55 -9.250 7.666 2.684 425 HZ2 LYS 55 HZ2 LYS 55 -10.780 8.105 3.025 426 HZ3 LYS 55 HZ3 LYS 55 -10.429 6.533 2.743 427 H MET 56 H MET 56 -8.965 12.992 3.117 428 HA MET 56 HA MET 56 -7.371 13.245 4.582 429 HB2 MET 56 HB2 MET 56 -6.335 11.260 3.026 430 HB3 MET 56 HB3 MET 56 -5.141 12.494 2.678 431 HG2 MET 56 HG2 MET 56 -4.131 11.671 4.577 432 HG3 MET 56 HG3 MET 56 -5.243 12.752 5.393 433 HE1 MET 56 HE1 MET 56 -4.958 11.527 7.427 434 HE2 MET 56 HE2 MET 56 -6.729 11.703 7.433 435 HE3 MET 56 HE3 MET 56 -5.987 10.153 7.898 436 H SER 57 H SER 57 -7.576 15.523 4.658 437 HA SER 57 HA SER 57 -6.347 17.145 2.722 438 HB2 SER 57 HB2 SER 57 -7.197 18.965 3.963 439 HB3 SER 57 HB3 SER 57 -8.344 17.681 4.290 440 HG SER 57 HG SER 57 -7.337 17.299 6.325 441 H ILE 58 H ILE 58 -5.574 16.293 6.169 442 HA ILE 58 HA ILE 58 -3.747 16.700 7.387 443 HB ILE 58 HB ILE 58 -3.222 14.642 6.238 444 HG12 ILE 58 HG12 ILE 58 -0.556 15.215 6.106 445 HG13 ILE 58 HG13 ILE 58 -1.133 16.575 7.049 446 HG21 ILE 58 HG21 ILE 58 -3.385 15.278 3.937 447 HG22 ILE 58 HG22 ILE 58 -2.034 16.424 4.098 448 HG23 ILE 58 HG23 ILE 58 -1.736 14.674 4.228 449 HD11 ILE 58 HD11 ILE 58 -0.467 14.436 8.348 450 HD12 ILE 58 HD12 ILE 58 -2.036 15.169 8.757 451 HD13 ILE 58 HD13 ILE 58 -1.972 13.728 7.714 452 H HIS 59 H HIS 59 -4.457 19.118 6.867 453 HA HIS 59 HA HIS 59 -3.144 20.700 5.116 454 HB2 HIS 59 HB2 HIS 59 -4.864 21.653 6.385 455 HB3 HIS 59 HB3 HIS 59 -4.156 21.163 7.911 456 HD1 HIS 59 HD1 HIS 59 -4.099 23.889 5.359 457 HD2 HIS 59 HD2 HIS 59 -1.997 22.822 8.829 458 HE1 HIS 59 HE1 HIS 59 -2.755 25.948 6.043 459 H LEU 60 H LEU 60 -1.094 21.495 4.818 460 HA LEU 60 HA LEU 60 0.762 21.741 6.915 461 HB2 LEU 60 HB2 LEU 60 0.511 19.121 5.966 462 HB3 LEU 60 HB3 LEU 60 1.952 19.745 5.188 463 HG LEU 60 HG LEU 60 2.165 20.534 7.884 464 HD11 LEU 60 HD11 LEU 60 1.453 18.902 9.250 465 HD12 LEU 60 HD12 LEU 60 0.339 18.513 7.916 466 HD13 LEU 60 HD13 LEU 60 1.862 17.610 8.096 467 HD21 LEU 60 HD21 LEU 60 4.202 19.511 7.769 468 HD22 LEU 60 HD22 LEU 60 3.571 18.089 6.904 469 HD23 LEU 60 HD23 LEU 60 3.826 19.620 6.033 470 H ILE 61 H ILE 61 0.672 20.865 3.385 471 HA ILE 61 HA ILE 61 1.785 21.776 1.676 472 HB ILE 61 HB ILE 61 0.677 24.326 2.849 473 HG12 ILE 61 HG12 ILE 61 -1.123 23.253 0.965 474 HG13 ILE 61 HG13 ILE 61 -0.696 21.916 2.014 475 HG21 ILE 61 HG21 ILE 61 0.516 25.072 0.553 476 HG22 ILE 61 HG22 ILE 61 2.192 24.595 0.917 477 HG23 ILE 61 HG23 ILE 61 1.145 23.512 -0.032 478 HD11 ILE 61 HD11 ILE 61 -2.320 22.795 3.372 479 HD12 ILE 61 HD12 ILE 61 -1.025 23.905 3.879 480 HD13 ILE 61 HD13 ILE 61 -2.196 24.412 2.638 481 H HIS 62 H HIS 62 3.914 21.156 2.521 482 HA HIS 62 HA HIS 62 5.632 23.386 2.577 483 HB2 HIS 62 HB2 HIS 62 4.796 23.497 4.906 484 HB3 HIS 62 HB3 HIS 62 5.362 21.862 5.183 485 HD1 HIS 62 HD1 HIS 62 7.612 21.725 6.249 486 HD2 HIS 62 HD2 HIS 62 7.138 25.252 4.029 487 HE1 HIS 62 HE1 HIS 62 9.753 23.072 6.582 488 H MET 63 H MET 63 5.399 19.972 3.818 489 HA MET 63 HA MET 63 7.617 19.382 2.015 490 HB2 MET 63 HB2 MET 63 7.501 19.187 4.885 491 HB3 MET 63 HB3 MET 63 7.455 17.541 4.286 492 HG2 MET 63 HG2 MET 63 9.596 17.654 3.379 493 HG3 MET 63 HG3 MET 63 9.466 19.359 2.995 494 HE1 MET 63 HE1 MET 63 12.160 17.997 4.576 495 HE2 MET 63 HE2 MET 63 11.764 17.616 6.269 496 HE3 MET 63 HE3 MET 63 10.904 16.793 4.947 497 H ARG 64 H ARG 64 5.067 17.774 4.063 498 HA ARG 64 HA ARG 64 3.484 16.384 3.489 499 HB2 ARG 64 HB2 ARG 64 4.062 17.465 0.967 500 HB3 ARG 64 HB3 ARG 64 4.266 15.746 0.700 501 HG2 ARG 64 HG2 ARG 64 1.876 16.202 2.303 502 HG3 ARG 64 HG3 ARG 64 1.815 17.202 0.866 503 HD2 ARG 64 HD2 ARG 64 0.810 15.072 0.291 504 HD3 ARG 64 HD3 ARG 64 2.360 15.141 -0.523 505 HE ARG 64 HE ARG 64 2.878 13.938 1.967 506 HH11 ARG 64 HH22 ARG 64 0.874 13.212 -0.864 507 HH12 ARG 64 HH21 ARG 64 0.949 11.497 -0.632 508 HH21 ARG 64 HH12 ARG 64 2.967 11.709 2.256 509 HH22 ARG 64 HH11 ARG 64 2.151 10.642 1.160 510 H VAL 65 H VAL 65 6.525 15.625 1.631 511 HA VAL 65 HA VAL 65 6.468 12.948 1.579 512 HB VAL 65 HB VAL 65 8.775 14.797 2.199 513 HG11 VAL 65 HG11 VAL 65 8.949 11.933 1.209 514 HG12 VAL 65 HG12 VAL 65 10.296 13.031 1.590 515 HG13 VAL 65 HG13 VAL 65 9.240 12.433 2.892 516 HG21 VAL 65 HG21 VAL 65 9.263 14.600 -0.189 517 HG22 VAL 65 HG22 VAL 65 7.873 13.509 -0.400 518 HG23 VAL 65 HG23 VAL 65 7.609 15.207 0.064 519 H ALA 66 H ALA 66 7.071 15.025 4.435 520 HA ALA 66 HA ALA 66 8.058 13.177 6.191 521 HB1 ALA 66 HB1 ALA 66 7.420 15.762 6.344 522 HB2 ALA 66 HB2 ALA 66 5.953 15.110 7.114 523 HB3 ALA 66 HB3 ALA 66 7.554 14.754 7.805 524 H ALA 67 H ALA 67 4.549 14.025 5.716 525 HA ALA 67 HA ALA 67 3.514 12.087 7.357 526 HB1 ALA 67 HB1 ALA 67 2.609 13.803 5.137 527 HB2 ALA 67 HB2 ALA 67 1.674 12.297 5.299 528 HB3 ALA 67 HB3 ALA 67 1.809 13.413 6.679 529 H GLN 68 H GLN 68 4.982 11.812 4.146 530 HA GLN 68 HA GLN 68 3.854 9.316 3.542 531 HB2 GLN 68 HB2 GLN 68 5.234 11.178 2.118 532 HB3 GLN 68 HB3 GLN 68 6.535 10.044 2.420 533 HG2 GLN 68 HG2 GLN 68 4.634 8.264 1.671 534 HG3 GLN 68 HG3 GLN 68 4.013 9.666 0.822 535 HE21 GLN 68 HE21 GLN 68 6.845 7.627 1.318 536 HE22 GLN 68 HE22 GLN 68 7.610 7.909 -0.210 537 H GLY 69 H GLY 69 6.882 10.400 5.161 538 HA2 GLY 69 HA2 GLY 69 8.106 7.863 5.327 539 HA3 GLY 69 HA3 GLY 69 8.460 9.275 6.303 540 H PHE 70 H PHE 70 5.911 9.716 7.535 541 HA PHE 70 HA PHE 70 6.095 7.936 9.673 542 HB2 PHE 70 HB2 PHE 70 4.938 10.382 9.090 543 HB3 PHE 70 HB3 PHE 70 3.511 9.367 9.023 544 HD1 PHE 70 HD2 PHE 70 4.058 7.424 11.176 545 HD2 PHE 70 HD1 PHE 70 4.705 11.616 11.044 546 HE1 PHE 70 HE2 PHE 70 3.863 7.532 13.676 547 HE2 PHE 70 HE1 PHE 70 4.510 11.724 13.544 548 HZ PHE 70 HZ PHE 70 4.092 9.681 14.830 549 H VAL 71 H VAL 71 3.455 8.301 7.189 550 HA VAL 71 HA VAL 71 2.001 6.095 8.016 551 HB VAL 71 HB VAL 71 2.286 7.481 5.350 552 HG11 VAL 71 HG11 VAL 71 0.390 5.271 6.184 553 HG12 VAL 71 HG12 VAL 71 0.055 6.376 4.830 554 HG13 VAL 71 HG13 VAL 71 1.485 5.317 4.781 555 HG21 VAL 71 HG21 VAL 71 0.324 8.674 5.936 556 HG22 VAL 71 HG22 VAL 71 -0.022 7.592 7.306 557 HG23 VAL 71 HG23 VAL 71 1.360 8.712 7.383 558 H VAL 72 H VAL 72 4.864 6.392 5.891 559 HA VAL 72 HA VAL 72 4.762 3.864 4.749 560 HB VAL 72 HB VAL 72 6.847 5.922 5.302 561 HG11 VAL 72 HG11 VAL 72 7.470 3.106 4.352 562 HG12 VAL 72 HG12 VAL 72 8.584 4.490 4.243 563 HG13 VAL 72 HG13 VAL 72 8.061 3.892 5.836 564 HG21 VAL 72 HG21 VAL 72 6.716 6.333 3.074 565 HG22 VAL 72 HG22 VAL 72 6.532 4.613 2.654 566 HG23 VAL 72 HG23 VAL 72 5.132 5.539 3.247 567 H GLY 73 H GLY 73 6.646 4.971 7.660 568 HA2 GLY 73 HA2 GLY 73 7.653 2.546 8.450 569 HA3 GLY 73 HA3 GLY 73 7.238 3.864 9.527 570 H ALA 74 H ALA 74 4.442 4.022 9.297 571 HA ALA 74 HA ALA 74 3.615 2.042 11.040 572 HB1 ALA 74 HB1 ALA 74 1.308 2.934 9.769 573 HB2 ALA 74 HB2 ALA 74 2.098 3.712 11.162 574 HB3 ALA 74 HB3 ALA 74 2.457 4.268 9.509 575 H MET 75 H MET 75 2.801 2.400 7.508 576 HA MET 75 HA MET 75 1.391 0.178 7.146 577 HB2 MET 75 HB2 MET 75 2.620 2.049 5.526 578 HB3 MET 75 HB3 MET 75 3.562 0.630 5.113 579 HG2 MET 75 HG2 MET 75 1.823 0.398 3.579 580 HG3 MET 75 HG3 MET 75 1.157 -0.528 4.909 581 HE1 MET 75 HE1 MET 75 -0.576 0.535 2.673 582 HE2 MET 75 HE2 MET 75 -1.396 2.097 2.905 583 HE3 MET 75 HE3 MET 75 0.301 2.054 2.371 584 H THR 76 H THR 76 5.020 0.330 6.921 585 HA THR 76 HA THR 76 5.477 -2.335 6.408 586 HB THR 76 HB THR 76 7.035 -0.191 7.932 587 HG1 THR 76 HG1 THR 76 7.010 0.263 5.732 588 HG21 THR 76 HG21 THR 76 9.025 -1.563 7.681 589 HG22 THR 76 HG22 THR 76 7.817 -2.582 8.500 590 HG23 THR 76 HG23 THR 76 8.129 -2.795 6.761 591 H VAL 77 H VAL 77 5.160 -0.723 9.634 592 HA VAL 77 HA VAL 77 5.662 -2.923 11.187 593 HB VAL 77 HB VAL 77 3.753 -0.614 11.582 594 HG11 VAL 77 HG11 VAL 77 4.886 -2.410 13.745 595 HG12 VAL 77 HG12 VAL 77 3.673 -1.119 13.915 596 HG13 VAL 77 HG13 VAL 77 3.262 -2.617 13.046 597 HG21 VAL 77 HG21 VAL 77 6.457 -0.522 11.317 598 HG22 VAL 77 HG22 VAL 77 5.509 0.618 12.302 599 HG23 VAL 77 HG23 VAL 77 6.308 -0.774 13.073 600 H GLY 78 H GLY 78 2.525 -1.852 9.724 601 HA2 GLY 78 HA2 GLY 78 0.874 -3.794 10.786 602 HA3 GLY 78 HA3 GLY 78 0.662 -3.009 9.234 603 H MET 79 H MET 79 2.797 -3.886 7.698 604 HA MET 79 HA MET 79 1.950 -6.317 6.834 605 HB2 MET 79 HB2 MET 79 3.471 -4.635 5.651 606 HB3 MET 79 HB3 MET 79 4.797 -5.183 6.657 607 HG2 MET 79 HG2 MET 79 4.855 -7.335 5.642 608 HG3 MET 79 HG3 MET 79 3.216 -7.202 5.035 609 HE1 MET 79 HE1 MET 79 6.416 -7.166 2.431 610 HE2 MET 79 HE2 MET 79 5.843 -8.104 3.832 611 HE3 MET 79 HE3 MET 79 4.835 -7.982 2.369 612 H GLY 80 H GLY 80 4.780 -5.585 8.988 613 HA2 GLY 80 HA2 GLY 80 5.719 -8.184 9.292 614 HA3 GLY 80 HA3 GLY 80 5.914 -6.872 10.438 615 H TYR 81 H TYR 81 3.113 -6.385 11.033 616 HA TYR 81 HA TYR 81 2.740 -8.399 12.992 617 HB2 TYR 81 HB2 TYR 81 2.026 -5.762 12.550 618 HB3 TYR 81 HB3 TYR 81 0.544 -6.540 12.033 619 HD1 TYR 81 HD2 TYR 81 2.896 -6.281 14.920 620 HD2 TYR 81 HD1 TYR 81 -1.062 -7.245 13.612 621 HE1 TYR 81 HE2 TYR 81 2.128 -6.440 17.339 622 HE2 TYR 81 HE1 TYR 81 -1.817 -7.401 16.035 623 HH TYR 81 HH TYR 81 -0.590 -6.116 18.388 624 H SER 82 H SER 82 1.730 -8.007 9.651 625 HA SER 82 HA SER 82 -0.640 -9.122 9.444 626 HB2 SER 82 HB2 SER 82 1.007 -8.507 7.586 627 HB3 SER 82 HB3 SER 82 1.718 -10.097 7.778 628 HG SER 82 HG SER 82 0.198 -10.783 6.445 629 H MET 83 H MET 83 2.442 -11.000 9.877 630 HA MET 83 HA MET 83 0.843 -13.072 11.116 631 HB2 MET 83 HB2 MET 83 2.055 -13.239 8.489 632 HB3 MET 83 HB3 MET 83 2.964 -14.299 9.548 633 HG2 MET 83 HG2 MET 83 1.256 -15.810 9.678 634 HG3 MET 83 HG3 MET 83 0.067 -14.564 9.999 635 HE1 MET 83 HE1 MET 83 -1.028 -16.849 7.036 636 HE2 MET 83 HE2 MET 83 -0.849 -16.717 8.802 637 HE3 MET 83 HE3 MET 83 -1.970 -15.638 7.938 638 H TYR 84 H TYR 84 1.693 -13.306 13.136 639 HA TYR 84 HA TYR 84 4.217 -12.329 13.844 640 HB2 TYR 84 HB2 TYR 84 3.637 -13.672 15.952 641 HB3 TYR 84 HB3 TYR 84 2.318 -12.652 15.413 642 HD1 TYR 84 HD1 TYR 84 3.532 -16.126 15.661 643 HD2 TYR 84 HD2 TYR 84 0.262 -13.605 14.540 644 HE1 TYR 84 HE1 TYR 84 1.993 -18.148 15.578 645 HE2 TYR 84 HE2 TYR 84 -1.266 -15.635 14.461 646 HH TYR 84 HH TYR 84 -0.064 -18.834 15.399 647 H ARG 85 H ARG 85 6.223 -13.300 14.158 648 HA ARG 85 HA ARG 85 6.559 -16.053 14.159 649 HB2 ARG 85 HB2 ARG 85 6.452 -14.816 11.514 650 HB3 ARG 85 HB3 ARG 85 8.056 -15.465 11.792 651 HG2 ARG 85 HG2 ARG 85 7.292 -17.673 11.983 652 HG3 ARG 85 HG3 ARG 85 5.704 -17.193 12.549 653 HD2 ARG 85 HD2 ARG 85 5.160 -16.329 10.250 654 HD3 ARG 85 HD3 ARG 85 6.737 -16.851 9.691 655 HE ARG 85 HE ARG 85 6.017 -19.101 9.751 656 HH11 ARG 85 HH22 ARG 85 3.599 -17.015 11.287 657 HH12 ARG 85 HH21 ARG 85 2.389 -18.252 11.347 658 HH21 ARG 85 HH12 ARG 85 4.436 -20.698 9.835 659 HH22 ARG 85 HH11 ARG 85 2.876 -20.363 10.513 660 H GLU 86 H GLU 86 9.071 -16.573 13.876 661 HA GLU 86 HA GLU 86 10.404 -14.611 15.445 662 HB2 GLU 86 HB2 GLU 86 12.225 -16.265 15.549 663 HB3 GLU 86 HB3 GLU 86 10.685 -17.031 15.881 664 HG2 GLU 86 HG2 GLU 86 10.701 -17.455 13.230 665 HG3 GLU 86 HG3 GLU 86 12.431 -17.262 13.428 666 H PHE 87 H PHE 87 9.927 -13.106 13.366 667 HA PHE 87 HA PHE 87 12.164 -13.377 11.504 668 HB2 PHE 87 HB2 PHE 87 9.381 -12.242 11.561 669 HB3 PHE 87 HB3 PHE 87 10.537 -11.246 10.701 670 HD1 PHE 87 HD2 PHE 87 12.187 -12.884 9.168 671 HD2 PHE 87 HD1 PHE 87 8.124 -13.575 10.180 672 HE1 PHE 87 HE2 PHE 87 11.929 -14.337 7.138 673 HE2 PHE 87 HE1 PHE 87 7.866 -15.028 8.150 674 HZ PHE 87 HZ PHE 87 9.771 -15.391 6.653 675 H TRP 88 H TRP 88 10.439 -10.918 13.549 676 HA TRP 88 HA TRP 88 11.150 -9.070 14.537 677 HB2 TRP 88 HB2 TRP 88 13.397 -10.893 14.717 678 HB3 TRP 88 HB3 TRP 88 13.939 -9.227 14.655 679 HD1 TRP 88 HD1 TRP 88 11.548 -7.901 16.394 680 HE1 TRP 88 HE1 TRP 88 11.365 -8.263 19.002 681 HE3 TRP 88 HE3 TRP 88 14.332 -12.153 16.527 682 HZ2 TRP 88 HZ2 TRP 88 12.383 -10.243 20.787 683 HZ3 TRP 88 HZ3 TRP 88 14.689 -13.239 18.742 684 HH2 TRP 88 HH2 TRP 88 13.767 -12.351 20.825 685 H ALA 89 H ALA 89 12.352 -6.973 14.107 686 HA ALA 89 HA ALA 89 12.082 -6.191 11.490 687 HB1 ALA 89 HB1 ALA 89 13.338 -4.186 12.202 688 HB2 ALA 89 HB2 ALA 89 12.158 -4.680 13.439 689 HB3 ALA 89 HB3 ALA 89 13.886 -5.046 13.661 690 H LYS 90 H LYS 90 15.173 -6.927 13.266 691 HA LYS 90 HA LYS 90 16.371 -7.418 10.629 692 HB2 LYS 90 HB2 LYS 90 17.288 -5.931 12.996 693 HB3 LYS 90 HB3 LYS 90 18.473 -7.065 12.380 694 HG2 LYS 90 HG2 LYS 90 18.199 -6.100 10.084 695 HG3 LYS 90 HG3 LYS 90 17.022 -4.961 10.705 696 HD2 LYS 90 HD2 LYS 90 18.699 -3.912 12.154 697 HD3 LYS 90 HD3 LYS 90 19.878 -5.150 11.766 698 HE2 LYS 90 HE2 LYS 90 20.597 -3.732 10.132 699 HE3 LYS 90 HE3 LYS 90 19.177 -4.233 9.237 700 HZ1 LYS 90 HZ1 LYS 90 18.744 -2.011 9.319 701 HZ2 LYS 90 HZ2 LYS 90 18.128 -2.330 10.792 702 HZ3 LYS 90 HZ3 LYS 90 19.667 -1.792 10.652 703 HA PRO 91 HA PRO 91 16.274 -11.474 12.412 704 HB2 PRO 91 HB2 PRO 91 16.134 -12.840 10.048 705 HB3 PRO 91 HB3 PRO 91 14.718 -12.306 10.932 706 HG2 PRO 91 HG2 PRO 91 15.900 -11.178 8.468 707 HG3 PRO 91 HG3 PRO 91 14.289 -10.946 9.119 708 HD2 PRO 91 HD2 PRO 91 16.472 -9.088 9.237 709 HD3 PRO 91 HD3 PRO 91 14.899 -8.906 9.987 710 H LYS 92 H LYS 92 17.647 -13.462 12.256 711 HA LYS 92 HA LYS 92 20.295 -12.565 11.352 712 HB2 LYS 92 HB2 LYS 92 19.499 -14.284 13.715 713 HB3 LYS 92 HB3 LYS 92 21.145 -14.163 13.127 714 HG2 LYS 92 HG2 LYS 92 19.888 -11.513 13.447 715 HG3 LYS 92 HG3 LYS 92 19.900 -12.420 14.946 716 HD2 LYS 92 HD2 LYS 92 22.378 -12.870 14.582 717 HD3 LYS 92 HD3 LYS 92 22.321 -11.815 13.184 718 HE2 LYS 92 HE2 LYS 92 22.832 -10.147 14.662 719 HE3 LYS 92 HE3 LYS 92 21.134 -10.207 15.093 720 HZ1 LYS 92 HZ1 LYS 92 22.745 -12.181 16.457 721 HZ2 LYS 92 HZ2 LYS 92 23.153 -10.649 16.829 722 HZ3 LYS 92 HZ3 LYS 92 21.607 -11.147 17.016 723 HA PRO 93 HA PRO 93 20.406 -16.032 8.786 724 HB2 PRO 93 HB2 PRO 93 23.069 -16.637 8.690 725 HB3 PRO 93 HB3 PRO 93 22.349 -15.333 7.768 726 HG2 PRO 93 HG2 PRO 93 24.017 -15.180 10.204 727 HG3 PRO 93 HG3 PRO 93 23.650 -13.919 9.044 728 HD2 PRO 93 HD2 PRO 93 22.500 -14.239 11.652 729 HD3 PRO 93 HD3 PRO 93 22.051 -13.048 10.447 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -6.332 -21.242 -1.541 2 HA MET 1 HA MET 1 -4.206 -21.308 0.451 3 HB2 MET 1 HB2 MET 1 -3.523 -21.791 -2.041 4 HB3 MET 1 HB3 MET 1 -3.900 -20.107 -2.346 5 HG2 MET 1 HG2 MET 1 -1.599 -19.996 -1.863 6 HG3 MET 1 HG3 MET 1 -2.302 -19.616 -0.303 7 HE1 MET 1 HE1 MET 1 -0.767 -21.968 1.959 8 HE2 MET 1 HE2 MET 1 -0.035 -20.553 1.166 9 HE3 MET 1 HE3 MET 1 -1.754 -20.524 1.626 10 H SER 2 H SER 2 -5.925 -19.202 -1.970 11 HA SER 2 HA SER 2 -5.589 -17.007 -0.107 12 HB2 SER 2 HB2 SER 2 -5.898 -17.273 -3.045 13 HB3 SER 2 HB3 SER 2 -6.834 -15.960 -2.358 14 HG SER 2 HG SER 2 -4.289 -15.853 -2.974 15 H THR 3 H THR 3 -7.213 -17.850 1.426 16 HA THR 3 HA THR 3 -9.964 -17.627 0.395 17 HB THR 3 HB THR 3 -8.684 -19.284 2.622 18 HG1 THR 3 HG1 THR 3 -8.783 -20.562 0.808 19 HG21 THR 3 HG21 THR 3 -10.728 -19.645 3.601 20 HG22 THR 3 HG22 THR 3 -11.254 -18.155 2.781 21 HG23 THR 3 HG23 THR 3 -11.542 -19.738 2.020 22 H ASP 4 H ASP 4 -9.956 -15.314 0.540 23 HA ASP 4 HA ASP 4 -10.562 -14.517 3.233 24 HB2 ASP 4 HB2 ASP 4 -9.155 -12.413 2.955 25 HB3 ASP 4 HB3 ASP 4 -8.239 -13.889 3.188 26 H THR 5 H THR 5 -12.745 -14.337 2.310 27 HA THR 5 HA THR 5 -14.392 -13.479 1.046 28 HB THR 5 HB THR 5 -12.800 -10.956 1.750 29 HG1 THR 5 HG1 THR 5 -13.688 -11.386 3.755 30 HG21 THR 5 HG21 THR 5 -15.270 -10.110 2.001 31 HG22 THR 5 HG22 THR 5 -14.597 -10.204 0.355 32 HG23 THR 5 HG23 THR 5 -15.692 -11.478 0.943 33 H GLY 6 H GLY 6 -13.213 -14.717 -0.798 34 HA2 GLY 6 HA2 GLY 6 -11.849 -13.143 -2.748 35 HA3 GLY 6 HA3 GLY 6 -12.465 -14.773 -2.929 36 H VAL 7 H VAL 7 -12.731 -13.142 -5.102 37 HA VAL 7 HA VAL 7 -14.141 -11.931 -6.376 38 HB VAL 7 HB VAL 7 -14.711 -14.478 -6.341 39 HG11 VAL 7 HG11 VAL 7 -17.507 -13.819 -5.784 40 HG12 VAL 7 HG12 VAL 7 -16.523 -15.196 -5.233 41 HG13 VAL 7 HG13 VAL 7 -16.463 -13.651 -4.352 42 HG21 VAL 7 HG21 VAL 7 -16.994 -13.135 -7.592 43 HG22 VAL 7 HG22 VAL 7 -15.443 -12.333 -7.936 44 HG23 VAL 7 HG23 VAL 7 -15.660 -14.055 -8.329 45 H SER 8 H SER 8 -13.946 -10.669 -3.872 46 HA SER 8 HA SER 8 -16.675 -9.691 -3.653 47 HB2 SER 8 HB2 SER 8 -14.986 -10.877 -1.529 48 HB3 SER 8 HB3 SER 8 -15.641 -9.310 -1.097 49 HG SER 8 HG SER 8 -16.933 -11.494 -0.783 50 H LEU 9 H LEU 9 -16.606 -7.459 -2.354 51 HA LEU 9 HA LEU 9 -15.899 -5.371 -2.243 52 HB2 LEU 9 HB2 LEU 9 -13.335 -6.868 -2.182 53 HB3 LEU 9 HB3 LEU 9 -13.242 -5.152 -2.522 54 HG LEU 9 HG LEU 9 -12.953 -5.799 -0.114 55 HD11 LEU 9 HD11 LEU 9 -14.490 -3.997 0.753 56 HD12 LEU 9 HD12 LEU 9 -13.429 -3.525 -0.596 57 HD13 LEU 9 HD13 LEU 9 -15.149 -3.873 -0.896 58 HD21 LEU 9 HD21 LEU 9 -15.876 -6.053 0.274 59 HD22 LEU 9 HD22 LEU 9 -15.060 -7.453 -0.463 60 HD23 LEU 9 HD23 LEU 9 -14.524 -6.842 1.121 61 HA PRO 10 HA PRO 10 -15.688 -4.040 -6.341 62 HB2 PRO 10 HB2 PRO 10 -15.071 -1.392 -6.060 63 HB3 PRO 10 HB3 PRO 10 -16.687 -2.030 -5.827 64 HG2 PRO 10 HG2 PRO 10 -14.732 -1.147 -3.793 65 HG3 PRO 10 HG3 PRO 10 -16.461 -1.377 -3.627 66 HD2 PRO 10 HD2 PRO 10 -14.398 -3.135 -2.690 67 HD3 PRO 10 HD3 PRO 10 -16.126 -3.420 -2.627 68 H SER 11 H SER 11 -13.821 -5.588 -6.559 69 HA SER 11 HA SER 11 -11.584 -3.927 -7.399 70 HB2 SER 11 HB2 SER 11 -9.981 -5.306 -6.374 71 HB3 SER 11 HB3 SER 11 -11.246 -5.228 -5.163 72 HG SER 11 HG SER 11 -11.679 -7.327 -5.416 73 H TYR 12 H TYR 12 -13.022 -7.270 -7.473 74 HA TYR 12 HA TYR 12 -13.054 -8.816 -9.080 75 HB2 TYR 12 HB2 TYR 12 -14.464 -6.557 -9.779 76 HB3 TYR 12 HB3 TYR 12 -13.315 -6.563 -11.102 77 HD1 TYR 12 HD1 TYR 12 -15.198 -9.305 -9.351 78 HD2 TYR 12 HD2 TYR 12 -14.339 -7.316 -13.040 79 HE1 TYR 12 HE1 TYR 12 -16.639 -10.986 -10.601 80 HE2 TYR 12 HE2 TYR 12 -15.782 -9.004 -14.278 81 HH TYR 12 HH TYR 12 -16.498 -11.403 -13.866 82 H GLU 13 H GLU 13 -10.807 -9.456 -8.967 83 HA GLU 13 HA GLU 13 -9.469 -8.856 -11.441 84 HB2 GLU 13 HB2 GLU 13 -7.308 -8.350 -10.312 85 HB3 GLU 13 HB3 GLU 13 -8.534 -7.149 -9.955 86 HG2 GLU 13 HG2 GLU 13 -8.643 -7.720 -7.727 87 HG3 GLU 13 HG3 GLU 13 -8.481 -9.435 -8.049 88 H GLU 14 H GLU 14 -10.698 -11.185 -11.110 89 HA GLU 14 HA GLU 14 -8.589 -12.980 -10.189 90 HB2 GLU 14 HB2 GLU 14 -11.526 -12.981 -9.738 91 HB3 GLU 14 HB3 GLU 14 -10.872 -14.539 -10.202 92 HG2 GLU 14 HG2 GLU 14 -9.008 -13.965 -8.379 93 HG3 GLU 14 HG3 GLU 14 -10.226 -12.863 -7.768 94 H ASP 15 H ASP 15 -7.693 -12.678 -12.420 95 HA ASP 15 HA ASP 15 -9.095 -14.468 -14.232 96 HB2 ASP 15 HB2 ASP 15 -8.836 -11.709 -14.629 97 HB3 ASP 15 HB3 ASP 15 -7.488 -12.353 -15.544 98 H GLN 16 H GLN 16 -6.040 -12.536 -13.713 99 HA GLN 16 HA GLN 16 -4.458 -14.821 -13.519 100 HB2 GLN 16 HB2 GLN 16 -3.125 -14.532 -15.632 101 HB3 GLN 16 HB3 GLN 16 -4.762 -15.089 -15.910 102 HG2 GLN 16 HG2 GLN 16 -5.377 -12.570 -16.216 103 HG3 GLN 16 HG3 GLN 16 -3.651 -12.286 -16.324 104 HE21 GLN 16 HE21 GLN 16 -3.830 -11.594 -18.444 105 HE22 GLN 16 HE22 GLN 16 -4.069 -12.674 -19.778 106 H GLY 17 H GLY 17 -4.669 -11.349 -14.476 107 HA2 GLY 17 HA2 GLY 17 -2.223 -10.358 -14.070 108 HA3 GLY 17 HA3 GLY 17 -3.673 -9.558 -13.497 109 H SER 18 H SER 18 -4.595 -10.780 -11.334 110 HA SER 18 HA SER 18 -3.014 -10.057 -9.314 111 HB2 SER 18 HB2 SER 18 -4.336 -11.712 -7.906 112 HB3 SER 18 HB3 SER 18 -5.305 -10.638 -8.895 113 HG SER 18 HG SER 18 -5.137 -12.532 -10.541 114 H LYS 19 H LYS 19 -3.178 -13.347 -10.833 115 HA LYS 19 HA LYS 19 -1.401 -14.620 -9.148 116 HB2 LYS 19 HB2 LYS 19 -2.935 -15.569 -10.970 117 HB3 LYS 19 HB3 LYS 19 -1.659 -15.182 -12.106 118 HG2 LYS 19 HG2 LYS 19 -0.110 -16.470 -10.363 119 HG3 LYS 19 HG3 LYS 19 -1.623 -17.171 -9.824 120 HD2 LYS 19 HD2 LYS 19 -0.955 -18.703 -11.474 121 HD3 LYS 19 HD3 LYS 19 -2.041 -17.666 -12.378 122 HE2 LYS 19 HE2 LYS 19 -0.350 -17.238 -13.827 123 HE3 LYS 19 HE3 LYS 19 0.485 -16.384 -12.544 124 HZ1 LYS 19 HZ1 LYS 19 1.154 -18.843 -11.885 125 HZ2 LYS 19 HZ2 LYS 19 0.898 -19.131 -13.467 126 HZ3 LYS 19 HZ3 LYS 19 1.968 -17.979 -13.012 127 H LEU 20 H LEU 20 -0.804 -12.670 -12.130 128 HA LEU 20 HA LEU 20 1.951 -13.122 -12.203 129 HB2 LEU 20 HB2 LEU 20 0.012 -11.727 -13.677 130 HB3 LEU 20 HB3 LEU 20 1.186 -10.518 -13.196 131 HG LEU 20 HG LEU 20 2.870 -12.449 -14.072 132 HD11 LEU 20 HD11 LEU 20 1.915 -13.311 -16.230 133 HD12 LEU 20 HD12 LEU 20 1.227 -14.032 -14.756 134 HD13 LEU 20 HD13 LEU 20 0.313 -12.795 -15.653 135 HD21 LEU 20 HD21 LEU 20 3.121 -10.232 -14.806 136 HD22 LEU 20 HD22 LEU 20 2.832 -11.178 -16.286 137 HD23 LEU 20 HD23 LEU 20 1.517 -10.209 -15.577 138 H ILE 21 H ILE 21 -0.094 -11.035 -10.211 139 HA ILE 21 HA ILE 21 2.136 -9.428 -9.354 140 HB ILE 21 HB ILE 21 -0.732 -9.582 -8.419 141 HG12 ILE 21 HG12 ILE 21 0.277 -7.227 -9.906 142 HG13 ILE 21 HG13 ILE 21 0.144 -8.702 -10.842 143 HG21 ILE 21 HG21 ILE 21 1.001 -8.729 -6.749 144 HG22 ILE 21 HG22 ILE 21 1.219 -7.350 -7.853 145 HG23 ILE 21 HG23 ILE 21 -0.373 -7.659 -7.120 146 HD11 ILE 21 HD11 ILE 21 -2.189 -8.234 -9.079 147 HD12 ILE 21 HD12 ILE 21 -1.948 -6.966 -10.305 148 HD13 ILE 21 HD13 ILE 21 -2.137 -8.663 -10.806 149 H ARG 22 H ARG 22 0.634 -12.472 -8.537 150 HA ARG 22 HA ARG 22 1.374 -12.449 -5.831 151 HB2 ARG 22 HB2 ARG 22 -0.051 -14.173 -7.629 152 HB3 ARG 22 HB3 ARG 22 1.225 -15.145 -6.926 153 HG2 ARG 22 HG2 ARG 22 -0.323 -13.378 -5.049 154 HG3 ARG 22 HG3 ARG 22 -1.168 -14.766 -5.704 155 HD2 ARG 22 HD2 ARG 22 1.435 -15.691 -4.927 156 HD3 ARG 22 HD3 ARG 22 0.847 -14.694 -3.612 157 HE ARG 22 HE ARG 22 -0.233 -17.272 -4.455 158 HH11 ARG 22 HH22 ARG 22 -1.034 -14.229 -2.826 159 HH12 ARG 22 HH21 ARG 22 -2.348 -14.912 -1.928 160 HH21 ARG 22 HH12 ARG 22 -1.942 -18.146 -3.283 161 HH22 ARG 22 HH11 ARG 22 -2.863 -17.160 -2.194 162 H LYS 23 H LYS 23 3.600 -12.003 -5.541 163 HA LYS 23 HA LYS 23 5.808 -12.224 -5.745 164 HB2 LYS 23 HB2 LYS 23 4.703 -14.922 -5.130 165 HB3 LYS 23 HB3 LYS 23 6.404 -14.839 -5.543 166 HG2 LYS 23 HG2 LYS 23 6.726 -13.054 -3.805 167 HG3 LYS 23 HG3 LYS 23 5.030 -13.175 -3.379 168 HD2 LYS 23 HD2 LYS 23 5.618 -14.793 -1.899 169 HD3 LYS 23 HD3 LYS 23 5.907 -15.840 -3.274 170 HE2 LYS 23 HE2 LYS 23 8.165 -14.002 -2.794 171 HE3 LYS 23 HE3 LYS 23 7.825 -15.002 -1.396 172 HZ1 LYS 23 HZ1 LYS 23 8.337 -15.993 -4.149 173 HZ2 LYS 23 HZ2 LYS 23 9.319 -16.174 -2.863 174 HZ3 LYS 23 HZ3 LYS 23 7.861 -16.915 -2.885 175 H ALA 24 H ALA 24 6.256 -11.378 -7.800 176 HA ALA 24 HA ALA 24 5.877 -12.854 -10.162 177 HB1 ALA 24 HB1 ALA 24 6.014 -10.406 -10.098 178 HB2 ALA 24 HB2 ALA 24 7.692 -10.497 -9.513 179 HB3 ALA 24 HB3 ALA 24 7.289 -11.063 -11.152 180 H LYS 25 H LYS 25 6.747 -14.977 -9.711 181 HA LYS 25 HA LYS 25 8.308 -16.529 -9.896 182 HB2 LYS 25 HB2 LYS 25 9.623 -14.205 -11.186 183 HB3 LYS 25 HB3 LYS 25 10.697 -15.489 -10.668 184 HG2 LYS 25 HG2 LYS 25 9.943 -16.932 -12.273 185 HG3 LYS 25 HG3 LYS 25 8.263 -16.528 -11.980 186 HD2 LYS 25 HD2 LYS 25 8.888 -14.242 -13.182 187 HD3 LYS 25 HD3 LYS 25 10.246 -15.153 -13.811 188 HE2 LYS 25 HE2 LYS 25 8.743 -16.818 -14.817 189 HE3 LYS 25 HE3 LYS 25 7.347 -16.085 -14.052 190 HZ1 LYS 25 HZ1 LYS 25 8.642 -14.066 -15.478 191 HZ2 LYS 25 HZ2 LYS 25 8.565 -15.344 -16.485 192 HZ3 LYS 25 HZ3 LYS 25 7.201 -14.779 -15.780 193 H GLU 26 H GLU 26 10.236 -13.670 -8.743 194 HA GLU 26 HA GLU 26 10.353 -14.888 -6.148 195 HB2 GLU 26 HB2 GLU 26 12.572 -15.053 -8.073 196 HB3 GLU 26 HB3 GLU 26 13.057 -14.269 -6.582 197 HG2 GLU 26 HG2 GLU 26 12.839 -16.191 -5.341 198 HG3 GLU 26 HG3 GLU 26 11.376 -16.685 -6.169 199 H ALA 27 H ALA 27 9.031 -12.858 -5.899 200 HA ALA 27 HA ALA 27 10.770 -10.712 -5.092 201 HB1 ALA 27 HB1 ALA 27 9.908 -9.034 -6.521 202 HB2 ALA 27 HB2 ALA 27 10.230 -10.411 -7.602 203 HB3 ALA 27 HB3 ALA 27 8.566 -10.067 -7.070 204 HA PRO 28 HA PRO 28 7.297 -11.279 -2.364 205 HB2 PRO 28 HB2 PRO 28 8.651 -10.806 -0.038 206 HB3 PRO 28 HB3 PRO 28 8.473 -12.403 -0.736 207 HG2 PRO 28 HG2 PRO 28 10.851 -10.648 -0.708 208 HG3 PRO 28 HG3 PRO 28 10.763 -12.373 -1.007 209 HD2 PRO 28 HD2 PRO 28 11.105 -10.307 -2.967 210 HD3 PRO 28 HD3 PRO 28 10.901 -12.020 -3.274 211 H PHE 29 H PHE 29 9.280 -9.053 -0.594 212 HA PHE 29 HA PHE 29 7.162 -7.101 -0.909 213 HB2 PHE 29 HB2 PHE 29 8.526 -5.968 0.909 214 HB3 PHE 29 HB3 PHE 29 8.111 -7.616 1.335 215 HD1 PHE 29 HD1 PHE 29 10.844 -5.463 0.093 216 HD2 PHE 29 HD2 PHE 29 9.795 -9.244 1.707 217 HE1 PHE 29 HE1 PHE 29 13.273 -5.978 0.465 218 HE2 PHE 29 HE2 PHE 29 12.223 -9.759 2.079 219 HZ PHE 29 HZ PHE 29 13.933 -8.120 1.453 220 H VAL 30 H VAL 30 10.083 -7.933 -2.464 221 HA VAL 30 HA VAL 30 11.407 -5.591 -2.866 222 HB VAL 30 HB VAL 30 11.060 -8.148 -4.237 223 HG11 VAL 30 HG11 VAL 30 10.548 -7.057 -6.229 224 HG12 VAL 30 HG12 VAL 30 11.564 -5.648 -5.840 225 HG13 VAL 30 HG13 VAL 30 12.322 -7.189 -6.307 226 HG21 VAL 30 HG21 VAL 30 13.051 -8.158 -3.168 227 HG22 VAL 30 HG22 VAL 30 13.636 -7.369 -4.652 228 HG23 VAL 30 HG23 VAL 30 13.214 -6.387 -3.229 229 HA PRO 31 HA PRO 31 8.268 -4.485 -6.226 230 HB2 PRO 31 HB2 PRO 31 5.970 -5.938 -6.496 231 HB3 PRO 31 HB3 PRO 31 7.401 -6.219 -7.467 232 HG2 PRO 31 HG2 PRO 31 6.351 -7.812 -5.208 233 HG3 PRO 31 HG3 PRO 31 7.504 -8.283 -6.442 234 HD2 PRO 31 HD2 PRO 31 8.092 -7.572 -3.726 235 HD3 PRO 31 HD3 PRO 31 9.251 -7.930 -4.990 236 H VAL 32 H VAL 32 7.305 -5.445 -3.108 237 HA VAL 32 HA VAL 32 5.001 -3.786 -2.999 238 HB VAL 32 HB VAL 32 6.729 -5.115 -0.908 239 HG11 VAL 32 HG11 VAL 32 4.284 -4.631 0.284 240 HG12 VAL 32 HG12 VAL 32 5.783 -3.714 0.570 241 HG13 VAL 32 HG13 VAL 32 4.591 -3.126 -0.614 242 HG21 VAL 32 HG21 VAL 32 5.321 -6.486 -2.570 243 HG22 VAL 32 HG22 VAL 32 5.112 -6.821 -0.835 244 HG23 VAL 32 HG23 VAL 32 3.906 -5.842 -1.703 245 H GLY 33 H GLY 33 8.487 -3.436 -2.192 246 HA2 GLY 33 HA2 GLY 33 8.145 -0.832 -1.024 247 HA3 GLY 33 HA3 GLY 33 9.647 -1.653 -1.399 248 H ILE 34 H ILE 34 9.413 -2.166 -4.156 249 HA ILE 34 HA ILE 34 10.101 0.337 -5.210 250 HB ILE 34 HB ILE 34 9.535 -2.353 -6.440 251 HG12 ILE 34 HG12 ILE 34 11.532 -2.103 -4.971 252 HG13 ILE 34 HG13 ILE 34 11.910 -2.545 -6.624 253 HG21 ILE 34 HG21 ILE 34 10.707 -1.347 -8.477 254 HG22 ILE 34 HG22 ILE 34 9.004 -0.905 -8.208 255 HG23 ILE 34 HG23 ILE 34 10.299 0.239 -7.781 256 HD11 ILE 34 HD11 ILE 34 12.274 0.136 -5.257 257 HD12 ILE 34 HD12 ILE 34 13.465 -0.827 -6.165 258 HD13 ILE 34 HD13 ILE 34 12.170 0.035 -7.031 259 H ALA 35 H ALA 35 7.219 -1.789 -5.844 260 HA ALA 35 HA ALA 35 5.902 0.146 -7.393 261 HB1 ALA 35 HB1 ALA 35 4.493 -2.000 -5.800 262 HB2 ALA 35 HB2 ALA 35 4.150 -1.409 -7.444 263 HB3 ALA 35 HB3 ALA 35 5.570 -2.440 -7.147 264 H GLY 36 H GLY 36 5.507 -0.878 -3.928 265 HA2 GLY 36 HA2 GLY 36 3.487 0.698 -3.098 266 HA3 GLY 36 HA3 GLY 36 4.908 0.358 -2.130 267 H PHE 37 H PHE 37 6.968 1.736 -3.335 268 HA PHE 37 HA PHE 37 6.485 4.352 -2.495 269 HB2 PHE 37 HB2 PHE 37 8.587 2.697 -3.858 270 HB3 PHE 37 HB3 PHE 37 8.704 4.410 -4.211 271 HD1 PHE 37 HD2 PHE 37 8.204 2.200 -1.236 272 HD2 PHE 37 HD1 PHE 37 10.058 5.664 -2.838 273 HE1 PHE 37 HE2 PHE 37 9.400 2.566 0.940 274 HE2 PHE 37 HE1 PHE 37 11.254 6.030 -0.662 275 HZ PHE 37 HZ PHE 37 10.910 4.477 1.201 276 H ALA 38 H ALA 38 6.787 2.914 -5.813 277 HA ALA 38 HA ALA 38 6.600 5.217 -7.276 278 HB1 ALA 38 HB1 ALA 38 5.376 2.494 -7.882 279 HB2 ALA 38 HB2 ALA 38 5.777 3.754 -9.074 280 HB3 ALA 38 HB3 ALA 38 7.075 2.949 -8.159 281 H ALA 39 H ALA 39 3.838 3.039 -6.336 282 HA ALA 39 HA ALA 39 1.833 4.690 -7.265 283 HB1 ALA 39 HB1 ALA 39 1.169 2.528 -6.718 284 HB2 ALA 39 HB2 ALA 39 2.060 2.530 -5.178 285 HB3 ALA 39 HB3 ALA 39 0.540 3.442 -5.327 286 H ILE 40 H ILE 40 3.174 4.432 -3.893 287 HA ILE 40 HA ILE 40 1.707 6.275 -2.626 288 HB ILE 40 HB ILE 40 4.633 5.624 -2.470 289 HG12 ILE 40 HG12 ILE 40 2.528 5.121 -0.379 290 HG13 ILE 40 HG13 ILE 40 2.652 4.069 -1.775 291 HG21 ILE 40 HG21 ILE 40 4.507 7.924 -1.750 292 HG22 ILE 40 HG22 ILE 40 3.115 7.561 -0.702 293 HG23 ILE 40 HG23 ILE 40 4.713 6.871 -0.330 294 HD11 ILE 40 HD11 ILE 40 4.222 3.976 0.587 295 HD12 ILE 40 HD12 ILE 40 4.454 3.019 -0.896 296 HD13 ILE 40 HD13 ILE 40 5.310 4.567 -0.693 297 H VAL 41 H VAL 41 4.736 7.079 -4.474 298 HA VAL 41 HA VAL 41 4.554 9.804 -4.229 299 HB VAL 41 HB VAL 41 5.621 8.057 -6.449 300 HG11 VAL 41 HG11 VAL 41 5.068 10.474 -7.119 301 HG12 VAL 41 HG12 VAL 41 6.379 10.951 -6.013 302 HG13 VAL 41 HG13 VAL 41 6.729 9.902 -7.408 303 HG21 VAL 41 HG21 VAL 41 6.823 9.317 -3.978 304 HG22 VAL 41 HG22 VAL 41 6.827 7.608 -4.476 305 HG23 VAL 41 HG23 VAL 41 7.825 8.793 -5.353 306 H ALA 42 H ALA 42 3.015 7.610 -6.650 307 HA ALA 42 HA ALA 42 1.942 9.545 -8.295 308 HB1 ALA 42 HB1 ALA 42 1.833 6.747 -7.967 309 HB2 ALA 42 HB2 ALA 42 0.140 7.295 -7.905 310 HB3 ALA 42 HB3 ALA 42 1.156 7.699 -9.310 311 H TYR 43 H TYR 43 0.308 7.847 -5.519 312 HA TYR 43 HA TYR 43 -2.010 9.285 -5.510 313 HB2 TYR 43 HB2 TYR 43 -0.996 7.282 -4.070 314 HB3 TYR 43 HB3 TYR 43 -0.383 8.540 -3.017 315 HD1 TYR 43 HD2 TYR 43 -3.640 7.659 -4.680 316 HD2 TYR 43 HD1 TYR 43 -1.652 9.009 -1.140 317 HE1 TYR 43 HE2 TYR 43 -5.862 7.718 -3.446 318 HE2 TYR 43 HE1 TYR 43 -3.881 9.063 0.082 319 HH TYR 43 HH TYR 43 -6.520 7.499 -0.917 320 H GLY 44 H GLY 44 0.914 10.000 -3.461 321 HA2 GLY 44 HA2 GLY 44 0.078 12.310 -2.280 322 HA3 GLY 44 HA3 GLY 44 1.737 11.965 -2.727 323 H LEU 45 H LEU 45 1.620 11.940 -5.547 324 HA LEU 45 HA LEU 45 1.805 14.636 -6.129 325 HB2 LEU 45 HB2 LEU 45 2.283 12.177 -7.396 326 HB3 LEU 45 HB3 LEU 45 1.194 13.045 -8.460 327 HG LEU 45 HG LEU 45 3.161 14.920 -7.680 328 HD11 LEU 45 HD11 LEU 45 5.224 13.730 -8.539 329 HD12 LEU 45 HD12 LEU 45 4.669 13.267 -6.912 330 HD13 LEU 45 HD13 LEU 45 4.336 12.205 -8.302 331 HD21 LEU 45 HD21 LEU 45 2.314 13.514 -10.168 332 HD22 LEU 45 HD22 LEU 45 2.367 15.252 -9.785 333 HD23 LEU 45 HD23 LEU 45 3.867 14.385 -10.191 334 H TYR 46 H TYR 46 -0.895 12.299 -6.708 335 HA TYR 46 HA TYR 46 -2.554 14.149 -8.009 336 HB2 TYR 46 HB2 TYR 46 -2.707 11.599 -7.930 337 HB3 TYR 46 HB3 TYR 46 -3.111 11.694 -6.227 338 HD1 TYR 46 HD2 TYR 46 -4.320 13.057 -9.513 339 HD2 TYR 46 HD1 TYR 46 -5.353 11.574 -5.635 340 HE1 TYR 46 HE2 TYR 46 -6.789 13.214 -10.102 341 HE2 TYR 46 HE1 TYR 46 -7.817 11.736 -6.237 342 HH TYR 46 HH TYR 46 -8.976 13.525 -8.615 343 H LYS 47 H LYS 47 -2.338 13.086 -4.549 344 HA LYS 47 HA LYS 47 -4.495 14.522 -3.610 345 HB2 LYS 47 HB2 LYS 47 -2.440 12.925 -2.553 346 HB3 LYS 47 HB3 LYS 47 -2.300 14.453 -1.708 347 HG2 LYS 47 HG2 LYS 47 -3.907 13.413 -0.382 348 HG3 LYS 47 HG3 LYS 47 -4.952 14.252 -1.511 349 HD2 LYS 47 HD2 LYS 47 -4.010 11.479 -2.244 350 HD3 LYS 47 HD3 LYS 47 -5.245 11.629 -1.010 351 HE2 LYS 47 HE2 LYS 47 -6.492 13.184 -2.697 352 HE3 LYS 47 HE3 LYS 47 -5.376 12.572 -3.902 353 HZ1 LYS 47 HZ1 LYS 47 -7.602 11.326 -3.491 354 HZ2 LYS 47 HZ2 LYS 47 -6.256 10.438 -3.722 355 HZ3 LYS 47 HZ3 LYS 47 -6.809 10.701 -2.204 356 H LEU 48 H LEU 48 -1.053 15.531 -4.057 357 HA LEU 48 HA LEU 48 -1.110 17.975 -2.898 358 HB2 LEU 48 HB2 LEU 48 0.410 16.635 -4.984 359 HB3 LEU 48 HB3 LEU 48 0.318 18.364 -5.254 360 HG LEU 48 HG LEU 48 1.193 17.163 -2.619 361 HD11 LEU 48 HD11 LEU 48 2.584 16.594 -4.780 362 HD12 LEU 48 HD12 LEU 48 3.169 18.263 -4.579 363 HD13 LEU 48 HD13 LEU 48 3.389 17.079 -3.268 364 HD21 LEU 48 HD21 LEU 48 2.087 19.842 -3.546 365 HD22 LEU 48 HD22 LEU 48 0.381 19.677 -3.066 366 HD23 LEU 48 HD23 LEU 48 1.673 19.262 -1.914 367 H LYS 49 H LYS 49 -1.890 17.370 -6.401 368 HA LYS 49 HA LYS 49 -2.959 19.969 -6.714 369 HB2 LYS 49 HB2 LYS 49 -2.037 18.038 -8.399 370 HB3 LYS 49 HB3 LYS 49 -3.765 17.845 -8.614 371 HG2 LYS 49 HG2 LYS 49 -3.404 19.526 -10.169 372 HG3 LYS 49 HG3 LYS 49 -3.709 20.526 -8.762 373 HD2 LYS 49 HD2 LYS 49 -1.709 21.483 -9.423 374 HD3 LYS 49 HD3 LYS 49 -1.058 20.215 -8.403 375 HE2 LYS 49 HE2 LYS 49 -1.436 18.965 -10.913 376 HE3 LYS 49 HE3 LYS 49 -0.826 20.559 -11.311 377 HZ1 LYS 49 HZ1 LYS 49 1.194 19.862 -10.671 378 HZ2 LYS 49 HZ2 LYS 49 0.675 19.593 -9.151 379 HZ3 LYS 49 HZ3 LYS 49 0.562 18.406 -10.272 380 H SER 50 H SER 50 -4.988 20.757 -6.371 381 HA SER 50 HA SER 50 -6.845 18.878 -5.205 382 HB2 SER 50 HB2 SER 50 -6.552 21.885 -5.208 383 HB3 SER 50 HB3 SER 50 -8.122 21.192 -4.853 384 HG SER 50 HG SER 50 -7.423 20.800 -2.878 385 H ARG 51 H ARG 51 -8.893 18.409 -6.103 386 HA ARG 51 HA ARG 51 -9.751 19.924 -8.364 387 HB2 ARG 51 HB2 ARG 51 -8.124 17.898 -9.054 388 HB3 ARG 51 HB3 ARG 51 -9.571 16.937 -8.823 389 HG2 ARG 51 HG2 ARG 51 -10.755 18.704 -10.350 390 HG3 ARG 51 HG3 ARG 51 -9.138 19.223 -10.782 391 HD2 ARG 51 HD2 ARG 51 -9.734 16.269 -10.918 392 HD3 ARG 51 HD3 ARG 51 -10.427 17.294 -12.159 393 HE ARG 51 HE ARG 51 -7.719 18.057 -11.954 394 HH11 ARG 51 HH22 ARG 51 -9.522 15.127 -12.801 395 HH12 ARG 51 HH21 ARG 51 -8.289 14.524 -13.859 396 HH21 ARG 51 HH12 ARG 51 -6.126 17.264 -13.330 397 HH22 ARG 51 HH11 ARG 51 -6.343 15.756 -14.157 398 H GLY 52 H GLY 52 -10.168 16.782 -6.569 399 HA2 GLY 52 HA2 GLY 52 -13.011 17.485 -6.191 400 HA3 GLY 52 HA3 GLY 52 -12.538 15.896 -6.758 401 H ASN 53 H ASN 53 -13.142 14.628 -4.993 402 HA ASN 53 HA ASN 53 -12.787 15.417 -2.367 403 HB2 ASN 53 HB2 ASN 53 -13.198 12.999 -1.838 404 HB3 ASN 53 HB3 ASN 53 -14.335 13.599 -3.030 405 HD21 ASN 53 HD21 ASN 53 -12.800 10.969 -2.285 406 HD22 ASN 53 HD22 ASN 53 -12.358 10.304 -3.821 407 H THR 54 H THR 54 -10.939 15.375 -1.056 408 HA THR 54 HA THR 54 -8.640 13.829 -2.063 409 HB THR 54 HB THR 54 -7.321 15.733 -0.889 410 HG1 THR 54 HG1 THR 54 -8.904 16.835 0.267 411 HG21 THR 54 HG21 THR 54 -7.886 17.454 -2.719 412 HG22 THR 54 HG22 THR 54 -7.409 15.848 -3.319 413 HG23 THR 54 HG23 THR 54 -9.127 16.312 -3.289 414 H LYS 55 H LYS 55 -10.253 15.198 0.871 415 HA LYS 55 HA LYS 55 -10.374 14.445 2.942 416 HB2 LYS 55 HB2 LYS 55 -10.440 12.056 1.288 417 HB3 LYS 55 HB3 LYS 55 -9.732 11.714 2.853 418 HG2 LYS 55 HG2 LYS 55 -11.831 13.271 3.650 419 HG3 LYS 55 HG3 LYS 55 -12.513 12.607 2.179 420 HD2 LYS 55 HD2 LYS 55 -11.258 10.409 3.477 421 HD3 LYS 55 HD3 LYS 55 -12.063 11.297 4.755 422 HE2 LYS 55 HE2 LYS 55 -14.153 11.327 3.219 423 HE3 LYS 55 HE3 LYS 55 -13.317 10.153 2.223 424 HZ1 LYS 55 HZ1 LYS 55 -13.492 8.552 3.850 425 HZ2 LYS 55 HZ2 LYS 55 -13.463 9.600 5.096 426 HZ3 LYS 55 HZ3 LYS 55 -14.819 9.446 4.193 427 H MET 56 H MET 56 -9.070 14.149 4.814 428 HA MET 56 HA MET 56 -7.238 14.157 5.985 429 HB2 MET 56 HB2 MET 56 -6.807 12.122 4.023 430 HB3 MET 56 HB3 MET 56 -5.309 13.031 4.066 431 HG2 MET 56 HG2 MET 56 -5.231 12.758 6.566 432 HG3 MET 56 HG3 MET 56 -6.708 11.818 6.501 433 HE1 MET 56 HE1 MET 56 -4.740 8.736 7.026 434 HE2 MET 56 HE2 MET 56 -4.182 10.228 7.820 435 HE3 MET 56 HE3 MET 56 -5.924 9.938 7.594 436 H SER 57 H SER 57 -5.552 15.627 6.419 437 HA SER 57 HA SER 57 -4.552 17.076 4.108 438 HB2 SER 57 HB2 SER 57 -6.390 18.413 5.099 439 HB3 SER 57 HB3 SER 57 -5.619 18.339 6.672 440 HG SER 57 HG SER 57 -3.767 19.479 5.724 441 H ILE 58 H ILE 58 -4.316 16.889 7.742 442 HA ILE 58 HA ILE 58 -2.523 17.100 9.063 443 HB ILE 58 HB ILE 58 -1.660 14.912 7.171 444 HG12 ILE 58 HG12 ILE 58 -3.884 14.656 8.313 445 HG13 ILE 58 HG13 ILE 58 -2.719 13.391 8.651 446 HG21 ILE 58 HG21 ILE 58 0.300 14.978 8.231 447 HG22 ILE 58 HG22 ILE 58 -0.306 16.104 9.469 448 HG23 ILE 58 HG23 ILE 58 -0.574 14.354 9.650 449 HD11 ILE 58 HD11 ILE 58 -2.622 15.708 10.526 450 HD12 ILE 58 HD12 ILE 58 -4.111 14.734 10.589 451 HD13 ILE 58 HD13 ILE 58 -2.531 13.963 10.866 452 H HIS 59 H HIS 59 -1.913 19.277 8.576 453 HA HIS 59 HA HIS 59 0.342 19.443 6.714 454 HB2 HIS 59 HB2 HIS 59 -1.156 20.921 5.824 455 HB3 HIS 59 HB3 HIS 59 -1.915 21.272 7.364 456 HD1 HIS 59 HD1 HIS 59 -1.676 23.749 7.645 457 HD2 HIS 59 HD2 HIS 59 1.890 21.946 6.368 458 HE1 HIS 59 HE1 HIS 59 0.091 25.590 7.633 459 H LEU 60 H LEU 60 2.337 20.014 7.493 460 HA LEU 60 HA LEU 60 2.762 21.626 9.707 461 HB2 LEU 60 HB2 LEU 60 3.544 19.972 11.355 462 HB3 LEU 60 HB3 LEU 60 1.811 19.954 11.092 463 HG LEU 60 HG LEU 60 3.344 18.026 9.450 464 HD11 LEU 60 HD11 LEU 60 3.435 16.425 11.441 465 HD12 LEU 60 HD12 LEU 60 4.683 17.691 11.347 466 HD13 LEU 60 HD13 LEU 60 3.309 17.877 12.463 467 HD21 LEU 60 HD21 LEU 60 1.380 16.632 10.694 468 HD22 LEU 60 HD22 LEU 60 0.698 18.275 10.740 469 HD23 LEU 60 HD23 LEU 60 1.162 17.548 9.183 470 H ILE 61 H ILE 61 4.022 22.251 7.715 471 HA ILE 61 HA ILE 61 5.955 22.458 6.672 472 HB ILE 61 HB ILE 61 6.992 20.862 9.014 473 HG12 ILE 61 HG12 ILE 61 5.863 23.058 9.493 474 HG13 ILE 61 HG13 ILE 61 7.528 22.936 10.025 475 HG21 ILE 61 HG21 ILE 61 8.396 20.920 6.822 476 HG22 ILE 61 HG22 ILE 61 8.712 22.610 7.280 477 HG23 ILE 61 HG23 ILE 61 9.174 21.289 8.380 478 HD11 ILE 61 HD11 ILE 61 8.276 24.508 8.517 479 HD12 ILE 61 HD12 ILE 61 7.140 23.983 7.251 480 HD13 ILE 61 HD13 ILE 61 6.576 25.034 8.572 481 H HIS 62 H HIS 62 6.451 21.553 4.747 482 HA HIS 62 HA HIS 62 6.403 20.026 3.144 483 HB2 HIS 62 HB2 HIS 62 8.173 18.728 5.223 484 HB3 HIS 62 HB3 HIS 62 7.979 18.068 3.611 485 HD1 HIS 62 HD1 HIS 62 8.725 21.589 4.978 486 HD2 HIS 62 HD2 HIS 62 10.028 18.901 2.033 487 HE1 HIS 62 HE1 HIS 62 10.637 22.748 3.748 488 H MET 63 H MET 63 3.962 19.894 4.013 489 HA MET 63 HA MET 63 3.308 17.434 5.244 490 HB2 MET 63 HB2 MET 63 0.960 18.188 4.773 491 HB3 MET 63 HB3 MET 63 1.908 19.485 5.473 492 HG2 MET 63 HG2 MET 63 1.841 20.755 3.551 493 HG3 MET 63 HG3 MET 63 2.038 19.366 2.501 494 HE1 MET 63 HE1 MET 63 0.508 18.597 1.096 495 HE2 MET 63 HE2 MET 63 -0.299 17.497 2.239 496 HE3 MET 63 HE3 MET 63 -1.268 18.586 1.217 497 H ARG 64 H ARG 64 4.791 16.364 3.399 498 HA ARG 64 HA ARG 64 2.890 15.155 1.641 499 HB2 ARG 64 HB2 ARG 64 3.959 17.208 0.437 500 HB3 ARG 64 HB3 ARG 64 5.449 16.286 0.426 501 HG2 ARG 64 HG2 ARG 64 3.121 14.718 -0.517 502 HG3 ARG 64 HG3 ARG 64 3.426 16.139 -1.497 503 HD2 ARG 64 HD2 ARG 64 5.968 14.874 -0.913 504 HD3 ARG 64 HD3 ARG 64 4.864 13.646 -1.498 505 HE ARG 64 HE ARG 64 4.794 14.709 -3.605 506 HH11 ARG 64 HH22 ARG 64 6.437 16.795 -1.259 507 HH12 ARG 64 HH21 ARG 64 7.019 17.898 -2.461 508 HH21 ARG 64 HH12 ARG 64 5.556 16.149 -5.156 509 HH22 ARG 64 HH11 ARG 64 6.510 17.522 -4.695 510 H VAL 65 H VAL 65 6.516 15.498 1.854 511 HA VAL 65 HA VAL 65 6.905 12.708 1.562 512 HB VAL 65 HB VAL 65 8.481 14.428 0.805 513 HG11 VAL 65 HG11 VAL 65 8.974 14.908 3.763 514 HG12 VAL 65 HG12 VAL 65 9.935 15.586 2.428 515 HG13 VAL 65 HG13 VAL 65 8.226 16.047 2.618 516 HG21 VAL 65 HG21 VAL 65 9.598 12.429 0.919 517 HG22 VAL 65 HG22 VAL 65 10.552 13.365 2.095 518 HG23 VAL 65 HG23 VAL 65 9.302 12.233 2.664 519 H ALA 66 H ALA 66 6.950 15.018 4.340 520 HA ALA 66 HA ALA 66 7.845 13.328 6.295 521 HB1 ALA 66 HB1 ALA 66 5.708 14.944 7.334 522 HB2 ALA 66 HB2 ALA 66 7.463 15.212 7.454 523 HB3 ALA 66 HB3 ALA 66 6.555 15.871 6.073 524 H ALA 67 H ALA 67 4.365 13.953 5.425 525 HA ALA 67 HA ALA 67 3.276 12.037 7.066 526 HB1 ALA 67 HB1 ALA 67 2.394 13.873 5.184 527 HB2 ALA 67 HB2 ALA 67 1.944 12.313 4.455 528 HB3 ALA 67 HB3 ALA 67 1.363 12.735 6.083 529 H GLN 68 H GLN 68 5.081 11.704 4.047 530 HA GLN 68 HA GLN 68 4.124 9.137 3.434 531 HB2 GLN 68 HB2 GLN 68 5.867 11.068 2.270 532 HB3 GLN 68 HB3 GLN 68 6.820 9.607 2.444 533 HG2 GLN 68 HG2 GLN 68 4.380 8.623 1.503 534 HG3 GLN 68 HG3 GLN 68 4.520 10.152 0.658 535 HE21 GLN 68 HE21 GLN 68 5.551 10.124 -1.179 536 HE22 GLN 68 HE22 GLN 68 6.773 9.006 -1.685 537 H GLY 69 H GLY 69 6.906 10.425 5.318 538 HA2 GLY 69 HA2 GLY 69 8.205 7.944 5.719 539 HA3 GLY 69 HA3 GLY 69 8.414 9.415 6.649 540 H PHE 70 H PHE 70 5.796 9.845 7.656 541 HA PHE 70 HA PHE 70 5.814 8.147 9.863 542 HB2 PHE 70 HB2 PHE 70 4.662 10.546 9.061 543 HB3 PHE 70 HB3 PHE 70 3.266 9.492 8.967 544 HD1 PHE 70 HD2 PHE 70 2.619 8.176 11.053 545 HD2 PHE 70 HD1 PHE 70 5.387 11.391 11.128 546 HE1 PHE 70 HE2 PHE 70 2.269 8.419 13.526 547 HE2 PHE 70 HE1 PHE 70 5.038 11.634 13.602 548 HZ PHE 70 HZ PHE 70 3.483 10.145 14.771 549 H VAL 71 H VAL 71 3.615 8.274 6.975 550 HA VAL 71 HA VAL 71 2.050 6.093 7.816 551 HB VAL 71 HB VAL 71 1.099 6.198 5.633 552 HG11 VAL 71 HG11 VAL 71 0.126 8.010 6.553 553 HG12 VAL 71 HG12 VAL 71 1.675 8.675 7.127 554 HG13 VAL 71 HG13 VAL 71 1.165 8.933 5.441 555 HG21 VAL 71 HG21 VAL 71 3.542 7.815 4.835 556 HG22 VAL 71 HG22 VAL 71 3.089 6.193 4.257 557 HG23 VAL 71 HG23 VAL 71 2.091 7.603 3.827 558 H VAL 72 H VAL 72 5.069 6.421 5.917 559 HA VAL 72 HA VAL 72 5.151 3.878 4.835 560 HB VAL 72 HB VAL 72 7.110 5.998 5.559 561 HG11 VAL 72 HG11 VAL 72 7.804 3.108 5.173 562 HG12 VAL 72 HG12 VAL 72 8.862 4.345 4.451 563 HG13 VAL 72 HG13 VAL 72 8.567 4.341 6.206 564 HG21 VAL 72 HG21 VAL 72 5.654 5.472 3.331 565 HG22 VAL 72 HG22 VAL 72 7.203 6.350 3.323 566 HG23 VAL 72 HG23 VAL 72 7.162 4.613 2.937 567 H GLY 73 H GLY 73 6.407 5.093 8.014 568 HA2 GLY 73 HA2 GLY 73 7.442 2.647 8.902 569 HA3 GLY 73 HA3 GLY 73 6.958 4.004 9.900 570 H ALA 74 H ALA 74 4.272 4.269 9.679 571 HA ALA 74 HA ALA 74 3.224 2.355 11.297 572 HB1 ALA 74 HB1 ALA 74 1.524 3.819 11.204 573 HB2 ALA 74 HB2 ALA 74 2.340 4.646 9.855 574 HB3 ALA 74 HB3 ALA 74 1.172 3.344 9.525 575 H MET 75 H MET 75 3.103 2.491 7.676 576 HA MET 75 HA MET 75 1.603 0.186 7.391 577 HB2 MET 75 HB2 MET 75 2.782 2.139 5.743 578 HB3 MET 75 HB3 MET 75 3.644 0.685 5.282 579 HG2 MET 75 HG2 MET 75 0.616 0.638 5.500 580 HG3 MET 75 HG3 MET 75 1.377 1.292 4.063 581 HE1 MET 75 HE1 MET 75 0.702 -1.834 2.314 582 HE2 MET 75 HE2 MET 75 0.340 -0.121 2.637 583 HE3 MET 75 HE3 MET 75 1.917 -0.584 1.952 584 H THR 76 H THR 76 5.199 0.653 7.048 585 HA THR 76 HA THR 76 6.008 -1.849 6.515 586 HB THR 76 HB THR 76 7.138 0.270 8.405 587 HG1 THR 76 HG1 THR 76 8.422 0.547 6.408 588 HG21 THR 76 HG21 THR 76 9.348 -0.883 7.990 589 HG22 THR 76 HG22 THR 76 8.251 -1.865 8.990 590 HG23 THR 76 HG23 THR 76 8.464 -2.247 7.265 591 H VAL 77 H VAL 77 5.120 -0.652 9.810 592 HA VAL 77 HA VAL 77 5.670 -3.098 11.069 593 HB VAL 77 HB VAL 77 3.913 -0.746 11.776 594 HG11 VAL 77 HG11 VAL 77 4.090 -1.693 14.140 595 HG12 VAL 77 HG12 VAL 77 2.985 -2.533 13.026 596 HG13 VAL 77 HG13 VAL 77 4.587 -3.224 13.380 597 HG21 VAL 77 HG21 VAL 77 5.998 0.135 11.970 598 HG22 VAL 77 HG22 VAL 77 5.951 -0.696 13.543 599 HG23 VAL 77 HG23 VAL 77 6.775 -1.455 12.160 600 H GLY 78 H GLY 78 2.612 -1.638 9.779 601 HA2 GLY 78 HA2 GLY 78 0.815 -3.571 10.509 602 HA3 GLY 78 HA3 GLY 78 0.726 -2.619 9.040 603 H MET 79 H MET 79 3.022 -3.528 7.630 604 HA MET 79 HA MET 79 1.989 -5.875 6.542 605 HB2 MET 79 HB2 MET 79 3.457 -4.059 5.434 606 HB3 MET 79 HB3 MET 79 4.832 -4.758 6.265 607 HG2 MET 79 HG2 MET 79 3.111 -6.659 4.697 608 HG3 MET 79 HG3 MET 79 4.071 -5.526 3.766 609 HE1 MET 79 HE1 MET 79 5.586 -6.407 2.718 610 HE2 MET 79 HE2 MET 79 7.137 -7.027 3.333 611 HE3 MET 79 HE3 MET 79 5.816 -8.157 2.951 612 H GLY 80 H GLY 80 4.914 -5.231 8.592 613 HA2 GLY 80 HA2 GLY 80 6.018 -7.734 8.679 614 HA3 GLY 80 HA3 GLY 80 6.047 -6.578 9.995 615 H TYR 81 H TYR 81 3.197 -6.446 10.534 616 HA TYR 81 HA TYR 81 2.957 -8.940 11.982 617 HB2 TYR 81 HB2 TYR 81 2.492 -6.794 13.108 618 HB3 TYR 81 HB3 TYR 81 1.498 -6.244 11.774 619 HD1 TYR 81 HD1 TYR 81 1.632 -8.570 14.658 620 HD2 TYR 81 HD2 TYR 81 -0.834 -6.799 11.643 621 HE1 TYR 81 HE1 TYR 81 -0.447 -9.422 15.848 622 HE2 TYR 81 HE2 TYR 81 -2.904 -7.658 12.843 623 HH TYR 81 HH TYR 81 -3.201 -8.334 15.661 624 H SER 82 H SER 82 1.806 -7.497 9.018 625 HA SER 82 HA SER 82 0.110 -7.944 7.690 626 HB2 SER 82 HB2 SER 82 1.744 -10.298 8.105 627 HB3 SER 82 HB3 SER 82 0.103 -10.810 7.766 628 HG SER 82 HG SER 82 0.397 -8.987 5.966 629 H MET 83 H MET 83 -1.749 -7.192 8.841 630 HA MET 83 HA MET 83 -2.957 -8.438 10.923 631 HB2 MET 83 HB2 MET 83 -4.964 -7.130 10.252 632 HB3 MET 83 HB3 MET 83 -3.523 -6.166 10.000 633 HG2 MET 83 HG2 MET 83 -4.154 -7.786 7.625 634 HG3 MET 83 HG3 MET 83 -5.503 -6.762 8.075 635 HE1 MET 83 HE1 MET 83 -4.627 -6.174 5.471 636 HE2 MET 83 HE2 MET 83 -3.281 -5.049 5.167 637 HE3 MET 83 HE3 MET 83 -2.945 -6.747 5.583 638 H TYR 84 H TYR 84 -5.226 -9.511 10.907 639 HA TYR 84 HA TYR 84 -6.397 -11.346 10.471 640 HB2 TYR 84 HB2 TYR 84 -5.722 -10.148 7.734 641 HB3 TYR 84 HB3 TYR 84 -6.676 -11.616 7.807 642 HD1 TYR 84 HD2 TYR 84 -6.610 -8.134 9.195 643 HD2 TYR 84 HD1 TYR 84 -9.000 -11.464 7.968 644 HE1 TYR 84 HE2 TYR 84 -8.719 -6.755 9.534 645 HE2 TYR 84 HE1 TYR 84 -11.101 -10.074 8.311 646 HH TYR 84 HH TYR 84 -11.912 -8.135 8.804 647 H ARG 85 H ARG 85 -6.433 -13.475 8.897 648 HA ARG 85 HA ARG 85 -5.474 -15.353 8.433 649 HB2 ARG 85 HB2 ARG 85 -3.026 -13.620 7.827 650 HB3 ARG 85 HB3 ARG 85 -3.125 -15.325 7.431 651 HG2 ARG 85 HG2 ARG 85 -5.347 -14.691 6.183 652 HG3 ARG 85 HG3 ARG 85 -4.778 -13.038 6.301 653 HD2 ARG 85 HD2 ARG 85 -2.503 -14.305 5.369 654 HD3 ARG 85 HD3 ARG 85 -3.753 -15.276 4.618 655 HE ARG 85 HE ARG 85 -3.168 -12.440 4.075 656 HH11 ARG 85 HH22 ARG 85 -5.499 -15.080 3.694 657 HH12 ARG 85 HH21 ARG 85 -6.307 -14.339 2.352 658 HH21 ARG 85 HH12 ARG 85 -4.224 -11.488 2.333 659 HH22 ARG 85 HH11 ARG 85 -5.569 -12.278 1.576 660 H GLU 86 H GLU 86 -5.105 -16.798 10.085 661 HA GLU 86 HA GLU 86 -4.112 -16.245 12.487 662 HB2 GLU 86 HB2 GLU 86 -4.688 -18.625 10.961 663 HB3 GLU 86 HB3 GLU 86 -3.215 -18.905 11.867 664 HG2 GLU 86 HG2 GLU 86 -4.676 -19.443 13.558 665 HG3 GLU 86 HG3 GLU 86 -4.690 -17.710 13.820 666 H PHE 87 H PHE 87 -2.273 -14.971 12.735 667 HA PHE 87 HA PHE 87 0.098 -15.616 11.243 668 HB2 PHE 87 HB2 PHE 87 0.829 -13.514 12.143 669 HB3 PHE 87 HB3 PHE 87 -0.907 -13.297 12.047 670 HD1 PHE 87 HD2 PHE 87 -2.286 -13.620 14.141 671 HD2 PHE 87 HD1 PHE 87 1.952 -13.406 14.216 672 HE1 PHE 87 HE2 PHE 87 -2.355 -13.098 16.595 673 HE2 PHE 87 HE1 PHE 87 1.882 -12.885 16.670 674 HZ PHE 87 HZ PHE 87 -0.271 -12.737 17.830 675 H TRP 88 H TRP 88 2.266 -15.633 12.554 676 HA TRP 88 HA TRP 88 1.958 -17.028 15.093 677 HB2 TRP 88 HB2 TRP 88 3.115 -18.207 12.594 678 HB3 TRP 88 HB3 TRP 88 3.799 -18.636 14.150 679 HD1 TRP 88 HD1 TRP 88 0.964 -18.782 15.781 680 HE1 TRP 88 HE1 TRP 88 -0.700 -20.801 15.436 681 HE3 TRP 88 HE3 TRP 88 2.770 -20.177 11.237 682 HZ2 TRP 88 HZ2 TRP 88 -1.066 -22.712 13.348 683 HZ3 TRP 88 HZ3 TRP 88 1.703 -22.130 10.113 684 HH2 TRP 88 HH2 TRP 88 -0.151 -23.383 11.096 685 H ALA 89 H ALA 89 4.587 -16.435 12.650 686 HA ALA 89 HA ALA 89 5.648 -14.228 14.051 687 HB1 ALA 89 HB1 ALA 89 7.577 -15.204 15.073 688 HB2 ALA 89 HB2 ALA 89 6.188 -16.178 15.612 689 HB3 ALA 89 HB3 ALA 89 7.258 -16.789 14.328 690 H LYS 90 H LYS 90 8.037 -13.839 13.144 691 HA LYS 90 HA LYS 90 7.765 -14.181 10.284 692 HB2 LYS 90 HB2 LYS 90 9.597 -12.548 10.168 693 HB3 LYS 90 HB3 LYS 90 8.256 -11.965 11.133 694 HG2 LYS 90 HG2 LYS 90 9.493 -11.923 13.064 695 HG3 LYS 90 HG3 LYS 90 10.269 -13.456 12.719 696 HD2 LYS 90 HD2 LYS 90 12.147 -12.326 12.144 697 HD3 LYS 90 HD3 LYS 90 11.290 -11.669 10.764 698 HE2 LYS 90 HE2 LYS 90 12.175 -9.805 12.064 699 HE3 LYS 90 HE3 LYS 90 10.430 -9.798 12.224 700 HZ1 LYS 90 HZ1 LYS 90 12.069 -9.732 14.322 701 HZ2 LYS 90 HZ2 LYS 90 10.571 -10.363 14.417 702 HZ3 LYS 90 HZ3 LYS 90 11.856 -11.347 14.173 703 HA PRO 91 HA PRO 91 10.703 -17.325 9.981 704 HB2 PRO 91 HB2 PRO 91 11.711 -16.933 7.472 705 HB3 PRO 91 HB3 PRO 91 10.175 -17.719 7.775 706 HG2 PRO 91 HG2 PRO 91 10.692 -14.987 6.770 707 HG3 PRO 91 HG3 PRO 91 9.217 -15.929 6.679 708 HD2 PRO 91 HD2 PRO 91 9.763 -13.765 8.481 709 HD3 PRO 91 HD3 PRO 91 8.336 -14.782 8.466 710 H LYS 92 H LYS 92 12.228 -14.551 8.398 711 HA LYS 92 HA LYS 92 14.333 -13.844 8.522 712 HB2 LYS 92 HB2 LYS 92 13.199 -12.857 10.528 713 HB3 LYS 92 HB3 LYS 92 13.873 -14.148 11.503 714 HG2 LYS 92 HG2 LYS 92 15.977 -12.963 9.872 715 HG3 LYS 92 HG3 LYS 92 15.133 -11.700 10.745 716 HD2 LYS 92 HD2 LYS 92 15.767 -12.515 12.838 717 HD3 LYS 92 HD3 LYS 92 15.833 -14.179 12.295 718 HE2 LYS 92 HE2 LYS 92 17.982 -13.915 11.311 719 HE3 LYS 92 HE3 LYS 92 17.828 -12.173 11.203 720 HZ1 LYS 92 HZ1 LYS 92 18.642 -11.959 13.279 721 HZ2 LYS 92 HZ2 LYS 92 17.648 -13.081 13.913 722 HZ3 LYS 92 HZ3 LYS 92 19.035 -13.544 13.179 723 HA PRO 93 HA PRO 93 16.168 -17.946 9.031 724 HB2 PRO 93 HB2 PRO 93 16.989 -18.303 6.449 725 HB3 PRO 93 HB3 PRO 93 15.468 -18.919 7.065 726 HG2 PRO 93 HG2 PRO 93 15.950 -16.595 5.302 727 HG3 PRO 93 HG3 PRO 93 14.458 -17.472 5.580 728 HD2 PRO 93 HD2 PRO 93 15.172 -14.912 6.661 729 HD3 PRO 93 HD3 PRO 93 13.732 -15.841 7.030 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -7.717 -18.217 -0.607 2 HA MET 1 HA MET 1 -7.417 -20.186 0.262 3 HB2 MET 1 HB2 MET 1 -6.268 -18.341 2.319 4 HB3 MET 1 HB3 MET 1 -6.663 -19.933 2.938 5 HG2 MET 1 HG2 MET 1 -5.007 -20.974 1.712 6 HG3 MET 1 HG3 MET 1 -5.254 -19.953 0.309 7 HE1 MET 1 HE1 MET 1 -4.096 -20.470 3.669 8 HE2 MET 1 HE2 MET 1 -2.374 -20.076 3.454 9 HE3 MET 1 HE3 MET 1 -3.464 -18.905 4.233 10 H SER 2 H SER 2 -9.659 -20.766 0.149 11 HA SER 2 HA SER 2 -11.529 -21.536 0.933 12 HB2 SER 2 HB2 SER 2 -9.778 -21.657 3.327 13 HB3 SER 2 HB3 SER 2 -11.489 -21.635 3.704 14 HG SER 2 HG SER 2 -10.756 -23.368 1.598 15 H THR 3 H THR 3 -12.625 -19.582 0.216 16 HA THR 3 HA THR 3 -13.659 -17.596 0.441 17 HB THR 3 HB THR 3 -15.269 -19.256 1.353 18 HG1 THR 3 HG1 THR 3 -16.098 -17.168 1.548 19 HG21 THR 3 HG21 THR 3 -15.493 -19.289 3.913 20 HG22 THR 3 HG22 THR 3 -14.103 -20.199 3.275 21 HG23 THR 3 HG23 THR 3 -13.860 -18.585 3.984 22 H ASP 4 H ASP 4 -11.066 -17.121 1.021 23 HA ASP 4 HA ASP 4 -10.503 -16.217 3.536 24 HB2 ASP 4 HB2 ASP 4 -9.020 -16.450 1.383 25 HB3 ASP 4 HB3 ASP 4 -9.534 -14.815 1.017 26 H THR 5 H THR 5 -11.746 -14.425 0.616 27 HA THR 5 HA THR 5 -12.613 -12.268 2.426 28 HB THR 5 HB THR 5 -10.793 -11.863 0.591 29 HG1 THR 5 HG1 THR 5 -11.712 -9.793 0.557 30 HG21 THR 5 HG21 THR 5 -13.308 -11.746 -1.145 31 HG22 THR 5 HG22 THR 5 -11.630 -11.438 -1.651 32 HG23 THR 5 HG23 THR 5 -12.145 -13.090 -1.232 33 H GLY 6 H GLY 6 -13.527 -14.582 -0.110 34 HA2 GLY 6 HA2 GLY 6 -15.716 -15.436 -0.182 35 HA3 GLY 6 HA3 GLY 6 -16.337 -13.929 0.463 36 H VAL 7 H VAL 7 -16.524 -12.040 -0.923 37 HA VAL 7 HA VAL 7 -15.963 -12.471 -3.741 38 HB VAL 7 HB VAL 7 -18.136 -13.354 -3.665 39 HG11 VAL 7 HG11 VAL 7 -19.573 -12.942 -2.011 40 HG12 VAL 7 HG12 VAL 7 -18.453 -11.716 -1.370 41 HG13 VAL 7 HG13 VAL 7 -19.724 -11.244 -2.524 42 HG21 VAL 7 HG21 VAL 7 -17.751 -11.675 -5.446 43 HG22 VAL 7 HG22 VAL 7 -19.461 -11.779 -4.964 44 HG23 VAL 7 HG23 VAL 7 -18.457 -10.423 -4.396 45 H SER 8 H SER 8 -15.172 -10.627 -4.653 46 HA SER 8 HA SER 8 -15.210 -8.295 -2.952 47 HB2 SER 8 HB2 SER 8 -13.136 -9.371 -4.216 48 HB3 SER 8 HB3 SER 8 -13.734 -8.456 -5.586 49 HG SER 8 HG SER 8 -13.770 -6.759 -3.503 50 H LEU 9 H LEU 9 -16.959 -6.951 -3.238 51 HA LEU 9 HA LEU 9 -18.642 -6.975 -5.411 52 HB2 LEU 9 HB2 LEU 9 -18.255 -5.453 -3.005 53 HB3 LEU 9 HB3 LEU 9 -18.658 -4.368 -4.321 54 HG LEU 9 HG LEU 9 -20.432 -6.608 -4.459 55 HD11 LEU 9 HD11 LEU 9 -21.255 -6.975 -2.387 56 HD12 LEU 9 HD12 LEU 9 -19.605 -6.518 -1.900 57 HD13 LEU 9 HD13 LEU 9 -20.918 -5.318 -1.833 58 HD21 LEU 9 HD21 LEU 9 -22.049 -4.996 -4.652 59 HD22 LEU 9 HD22 LEU 9 -21.290 -3.925 -3.450 60 HD23 LEU 9 HD23 LEU 9 -20.602 -4.054 -5.086 61 HA PRO 10 HA PRO 10 -16.081 -3.474 -7.263 62 HB2 PRO 10 HB2 PRO 10 -13.744 -2.677 -6.091 63 HB3 PRO 10 HB3 PRO 10 -15.279 -1.881 -5.807 64 HG2 PRO 10 HG2 PRO 10 -13.783 -3.711 -4.032 65 HG3 PRO 10 HG3 PRO 10 -15.068 -2.591 -3.623 66 HD2 PRO 10 HD2 PRO 10 -15.295 -5.437 -3.895 67 HD3 PRO 10 HD3 PRO 10 -16.600 -4.305 -3.601 68 H SER 11 H SER 11 -13.821 -3.113 -8.438 69 HA SER 11 HA SER 11 -12.561 -4.102 -9.925 70 HB2 SER 11 HB2 SER 11 -10.781 -5.543 -9.010 71 HB3 SER 11 HB3 SER 11 -11.101 -4.198 -7.934 72 HG SER 11 HG SER 11 -10.988 -6.050 -6.646 73 H TYR 12 H TYR 12 -14.443 -5.013 -11.109 74 HA TYR 12 HA TYR 12 -14.123 -7.746 -11.641 75 HB2 TYR 12 HB2 TYR 12 -15.464 -7.414 -9.305 76 HB3 TYR 12 HB3 TYR 12 -16.804 -7.024 -10.364 77 HD1 TYR 12 HD1 TYR 12 -17.179 -8.814 -12.342 78 HD2 TYR 12 HD2 TYR 12 -15.233 -9.618 -8.617 79 HE1 TYR 12 HE1 TYR 12 -17.684 -11.292 -12.605 80 HE2 TYR 12 HE2 TYR 12 -15.745 -12.094 -8.893 81 HH TYR 12 HH TYR 12 -17.481 -13.266 -11.768 82 H GLU 13 H GLU 13 -14.043 -6.930 -13.786 83 HA GLU 13 HA GLU 13 -16.524 -5.712 -14.691 84 HB2 GLU 13 HB2 GLU 13 -13.976 -4.838 -15.079 85 HB3 GLU 13 HB3 GLU 13 -14.140 -5.854 -16.498 86 HG2 GLU 13 HG2 GLU 13 -16.565 -4.278 -16.151 87 HG3 GLU 13 HG3 GLU 13 -15.171 -3.217 -16.114 88 H GLU 14 H GLU 14 -13.995 -8.088 -15.797 89 HA GLU 14 HA GLU 14 -16.062 -9.901 -16.530 90 HB2 GLU 14 HB2 GLU 14 -15.157 -8.076 -18.511 91 HB3 GLU 14 HB3 GLU 14 -14.382 -9.600 -18.894 92 HG2 GLU 14 HG2 GLU 14 -17.332 -9.575 -18.207 93 HG3 GLU 14 HG3 GLU 14 -16.823 -9.071 -19.806 94 H ASP 15 H ASP 15 -12.575 -9.048 -17.121 95 HA ASP 15 HA ASP 15 -11.781 -11.348 -15.671 96 HB2 ASP 15 HB2 ASP 15 -12.340 -12.088 -18.133 97 HB3 ASP 15 HB3 ASP 15 -10.873 -11.235 -18.569 98 H GLN 16 H GLN 16 -10.410 -9.982 -14.434 99 HA GLN 16 HA GLN 16 -8.021 -9.164 -15.675 100 HB2 GLN 16 HB2 GLN 16 -10.144 -7.231 -15.633 101 HB3 GLN 16 HB3 GLN 16 -8.949 -6.713 -14.460 102 HG2 GLN 16 HG2 GLN 16 -7.178 -7.181 -16.316 103 HG3 GLN 16 HG3 GLN 16 -8.533 -7.264 -17.425 104 HE21 GLN 16 HE21 GLN 16 -9.269 -5.470 -18.291 105 HE22 GLN 16 HE22 GLN 16 -8.925 -3.851 -17.782 106 H GLY 17 H GLY 17 -10.216 -8.441 -12.866 107 HA2 GLY 17 HA2 GLY 17 -8.519 -7.872 -10.881 108 HA3 GLY 17 HA3 GLY 17 -9.912 -8.913 -10.666 109 H SER 18 H SER 18 -9.463 -11.310 -11.629 110 HA SER 18 HA SER 18 -7.811 -12.548 -9.943 111 HB2 SER 18 HB2 SER 18 -7.644 -14.312 -11.959 112 HB3 SER 18 HB3 SER 18 -9.137 -14.052 -11.079 113 HG SER 18 HG SER 18 -8.751 -12.276 -13.226 114 H LYS 19 H LYS 19 -6.990 -11.320 -13.248 115 HA LYS 19 HA LYS 19 -4.421 -12.317 -13.399 116 HB2 LYS 19 HB2 LYS 19 -6.088 -10.450 -14.821 117 HB3 LYS 19 HB3 LYS 19 -4.479 -9.775 -14.665 118 HG2 LYS 19 HG2 LYS 19 -3.509 -11.409 -15.979 119 HG3 LYS 19 HG3 LYS 19 -4.557 -12.675 -15.372 120 HD2 LYS 19 HD2 LYS 19 -5.802 -12.515 -17.257 121 HD3 LYS 19 HD3 LYS 19 -6.266 -10.891 -16.790 122 HE2 LYS 19 HE2 LYS 19 -3.576 -11.327 -18.112 123 HE3 LYS 19 HE3 LYS 19 -5.020 -11.323 -19.104 124 HZ1 LYS 19 HZ1 LYS 19 -4.752 -9.127 -17.196 125 HZ2 LYS 19 HZ2 LYS 19 -3.750 -9.092 -18.478 126 HZ3 LYS 19 HZ3 LYS 19 -5.368 -9.164 -18.712 127 H LEU 20 H LEU 20 -5.637 -9.223 -11.973 128 HA LEU 20 HA LEU 20 -3.096 -8.274 -11.267 129 HB2 LEU 20 HB2 LEU 20 -4.903 -6.765 -11.450 130 HB3 LEU 20 HB3 LEU 20 -5.890 -7.674 -10.322 131 HG LEU 20 HG LEU 20 -3.352 -6.706 -9.177 132 HD11 LEU 20 HD11 LEU 20 -5.451 -4.714 -10.080 133 HD12 LEU 20 HD12 LEU 20 -4.107 -4.368 -8.965 134 HD13 LEU 20 HD13 LEU 20 -3.769 -4.826 -10.652 135 HD21 LEU 20 HD21 LEU 20 -6.179 -6.267 -8.207 136 HD22 LEU 20 HD22 LEU 20 -5.303 -7.799 -7.973 137 HD23 LEU 20 HD23 LEU 20 -4.670 -6.294 -7.264 138 H ILE 21 H ILE 21 -5.219 -10.722 -9.903 139 HA ILE 21 HA ILE 21 -3.913 -10.654 -7.336 140 HB ILE 21 HB ILE 21 -5.993 -12.466 -8.556 141 HG12 ILE 21 HG12 ILE 21 -6.709 -10.144 -8.104 142 HG13 ILE 21 HG13 ILE 21 -7.555 -11.325 -7.124 143 HG21 ILE 21 HG21 ILE 21 -6.130 -12.879 -5.855 144 HG22 ILE 21 HG22 ILE 21 -5.338 -13.962 -7.024 145 HG23 ILE 21 HG23 ILE 21 -4.374 -12.768 -6.121 146 HD11 ILE 21 HD11 ILE 21 -6.984 -9.646 -5.562 147 HD12 ILE 21 HD12 ILE 21 -5.700 -10.856 -5.329 148 HD13 ILE 21 HD13 ILE 21 -5.378 -9.389 -6.284 149 H ARG 22 H ARG 22 -3.438 -12.083 -10.481 150 HA ARG 22 HA ARG 22 -2.149 -14.400 -9.656 151 HB2 ARG 22 HB2 ARG 22 -2.932 -13.317 -12.079 152 HB3 ARG 22 HB3 ARG 22 -1.194 -13.123 -12.184 153 HG2 ARG 22 HG2 ARG 22 -1.945 -15.776 -11.138 154 HG3 ARG 22 HG3 ARG 22 -2.639 -15.475 -12.719 155 HD2 ARG 22 HD2 ARG 22 0.287 -14.838 -12.228 156 HD3 ARG 22 HD3 ARG 22 -0.198 -16.497 -12.522 157 HE ARG 22 HE ARG 22 -1.445 -14.998 -14.544 158 HH11 ARG 22 HH22 ARG 22 1.887 -15.596 -13.497 159 HH12 ARG 22 HH21 ARG 22 2.554 -15.384 -15.082 160 HH21 ARG 22 HH12 ARG 22 -0.565 -14.724 -16.597 161 HH22 ARG 22 HH11 ARG 22 1.142 -14.884 -16.855 162 H LYS 23 H LYS 23 -0.978 -11.080 -10.509 163 HA LYS 23 HA LYS 23 0.992 -10.094 -10.282 164 HB2 LYS 23 HB2 LYS 23 0.164 -11.035 -7.789 165 HB3 LYS 23 HB3 LYS 23 1.857 -11.480 -7.863 166 HG2 LYS 23 HG2 LYS 23 2.330 -9.330 -7.299 167 HG3 LYS 23 HG3 LYS 23 1.855 -8.891 -8.928 168 HD2 LYS 23 HD2 LYS 23 -0.606 -9.116 -7.621 169 HD3 LYS 23 HD3 LYS 23 0.428 -8.454 -6.370 170 HE2 LYS 23 HE2 LYS 23 1.226 -6.811 -8.321 171 HE3 LYS 23 HE3 LYS 23 -0.302 -7.260 -9.053 172 HZ1 LYS 23 HZ1 LYS 23 -0.307 -5.271 -7.470 173 HZ2 LYS 23 HZ2 LYS 23 -1.485 -6.370 -7.233 174 HZ3 LYS 23 HZ3 LYS 23 -0.158 -6.378 -6.275 175 H ALA 24 H ALA 24 3.524 -10.786 -9.404 176 HA ALA 24 HA ALA 24 4.538 -12.163 -11.565 177 HB1 ALA 24 HB1 ALA 24 6.542 -11.635 -10.617 178 HB2 ALA 24 HB2 ALA 24 5.538 -10.672 -9.506 179 HB3 ALA 24 HB3 ALA 24 6.083 -12.298 -9.030 180 H LYS 25 H LYS 25 4.400 -13.372 -8.133 181 HA LYS 25 HA LYS 25 3.215 -15.794 -8.762 182 HB2 LYS 25 HB2 LYS 25 6.032 -15.690 -9.461 183 HB3 LYS 25 HB3 LYS 25 5.743 -16.896 -8.223 184 HG2 LYS 25 HG2 LYS 25 4.194 -18.101 -9.571 185 HG3 LYS 25 HG3 LYS 25 3.900 -16.735 -10.628 186 HD2 LYS 25 HD2 LYS 25 6.444 -16.943 -11.253 187 HD3 LYS 25 HD3 LYS 25 6.346 -18.534 -10.525 188 HE2 LYS 25 HE2 LYS 25 4.746 -19.307 -12.124 189 HE3 LYS 25 HE3 LYS 25 4.310 -17.681 -12.613 190 HZ1 LYS 25 HZ1 LYS 25 5.752 -18.605 -14.275 191 HZ2 LYS 25 HZ2 LYS 25 6.629 -17.470 -13.503 192 HZ3 LYS 25 HZ3 LYS 25 6.843 -19.051 -13.140 193 H GLU 26 H GLU 26 6.190 -15.174 -6.789 194 HA GLU 26 HA GLU 26 4.876 -16.146 -4.497 195 HB2 GLU 26 HB2 GLU 26 7.577 -15.263 -5.262 196 HB3 GLU 26 HB3 GLU 26 7.169 -14.775 -3.629 197 HG2 GLU 26 HG2 GLU 26 6.306 -17.535 -4.169 198 HG3 GLU 26 HG3 GLU 26 8.024 -17.336 -4.457 199 H ALA 27 H ALA 27 5.599 -12.911 -5.853 200 HA ALA 27 HA ALA 27 4.817 -10.901 -5.352 201 HB1 ALA 27 HB1 ALA 27 2.895 -12.214 -3.401 202 HB2 ALA 27 HB2 ALA 27 2.694 -10.677 -4.276 203 HB3 ALA 27 HB3 ALA 27 2.637 -12.220 -5.162 204 HA PRO 28 HA PRO 28 7.300 -11.072 -1.529 205 HB2 PRO 28 HB2 PRO 28 9.643 -10.067 -2.512 206 HB3 PRO 28 HB3 PRO 28 9.331 -11.784 -2.346 207 HG2 PRO 28 HG2 PRO 28 9.351 -10.132 -4.798 208 HG3 PRO 28 HG3 PRO 28 9.465 -11.874 -4.647 209 HD2 PRO 28 HD2 PRO 28 7.156 -10.369 -5.440 210 HD3 PRO 28 HD3 PRO 28 7.240 -12.099 -5.177 211 H PHE 29 H PHE 29 8.967 -9.078 -0.782 212 HA PHE 29 HA PHE 29 7.065 -6.898 -0.789 213 HB2 PHE 29 HB2 PHE 29 9.491 -7.867 0.726 214 HB3 PHE 29 HB3 PHE 29 9.279 -6.128 0.699 215 HD1 PHE 29 HD1 PHE 29 7.164 -9.163 1.258 216 HD2 PHE 29 HD2 PHE 29 8.141 -5.217 2.474 217 HE1 PHE 29 HE1 PHE 29 5.512 -9.334 3.140 218 HE2 PHE 29 HE2 PHE 29 6.489 -5.388 4.356 219 HZ PHE 29 HZ PHE 29 5.194 -7.444 4.666 220 H VAL 30 H VAL 30 9.921 -7.889 -2.494 221 HA VAL 30 HA VAL 30 11.285 -5.568 -2.917 222 HB VAL 30 HB VAL 30 10.883 -8.128 -4.269 223 HG11 VAL 30 HG11 VAL 30 10.367 -7.035 -6.260 224 HG12 VAL 30 HG12 VAL 30 11.416 -5.645 -5.891 225 HG13 VAL 30 HG13 VAL 30 12.137 -7.205 -6.358 226 HG21 VAL 30 HG21 VAL 30 13.171 -8.283 -4.092 227 HG22 VAL 30 HG22 VAL 30 13.424 -6.541 -4.354 228 HG23 VAL 30 HG23 VAL 30 12.833 -7.128 -2.781 229 HA PRO 31 HA PRO 31 8.128 -4.435 -6.250 230 HB2 PRO 31 HB2 PRO 31 5.806 -5.857 -6.489 231 HB3 PRO 31 HB3 PRO 31 7.223 -6.164 -7.473 232 HG2 PRO 31 HG2 PRO 31 6.174 -7.728 -5.194 233 HG3 PRO 31 HG3 PRO 31 7.307 -8.223 -6.437 234 HD2 PRO 31 HD2 PRO 31 7.932 -7.506 -3.731 235 HD3 PRO 31 HD3 PRO 31 9.074 -7.888 -5.005 236 H VAL 32 H VAL 32 7.215 -5.339 -3.109 237 HA VAL 32 HA VAL 32 4.918 -3.672 -2.979 238 HB VAL 32 HB VAL 32 6.688 -4.929 -0.875 239 HG11 VAL 32 HG11 VAL 32 5.338 -2.846 -0.177 240 HG12 VAL 32 HG12 VAL 32 3.899 -3.872 -0.396 241 HG13 VAL 32 HG13 VAL 32 5.145 -4.328 0.790 242 HG21 VAL 32 HG21 VAL 32 5.080 -6.667 -0.740 243 HG22 VAL 32 HG22 VAL 32 3.907 -5.766 -1.731 244 HG23 VAL 32 HG23 VAL 32 5.384 -6.422 -2.477 245 H GLY 33 H GLY 33 8.393 -3.351 -2.026 246 HA2 GLY 33 HA2 GLY 33 8.072 -0.708 -0.994 247 HA3 GLY 33 HA3 GLY 33 9.570 -1.550 -1.334 248 H ILE 34 H ILE 34 9.302 -2.136 -4.095 249 HA ILE 34 HA ILE 34 10.050 0.335 -5.198 250 HB ILE 34 HB ILE 34 9.463 -2.382 -6.351 251 HG12 ILE 34 HG12 ILE 34 12.087 -0.889 -6.139 252 HG13 ILE 34 HG13 ILE 34 11.494 -1.953 -4.879 253 HG21 ILE 34 HG21 ILE 34 8.899 -0.642 -8.024 254 HG22 ILE 34 HG22 ILE 34 10.547 0.010 -7.864 255 HG23 ILE 34 HG23 ILE 34 10.299 -1.638 -8.489 256 HD11 ILE 34 HD11 ILE 34 12.393 -3.693 -6.014 257 HD12 ILE 34 HD12 ILE 34 11.186 -3.419 -7.293 258 HD13 ILE 34 HD13 ILE 34 12.783 -2.641 -7.396 259 H ALA 35 H ALA 35 7.221 -1.790 -6.048 260 HA ALA 35 HA ALA 35 5.924 0.141 -7.557 261 HB1 ALA 35 HB1 ALA 35 5.561 -2.446 -7.233 262 HB2 ALA 35 HB2 ALA 35 4.431 -1.934 -5.957 263 HB3 ALA 35 HB3 ALA 35 4.176 -1.403 -7.636 264 H GLY 36 H GLY 36 5.374 -0.841 -4.098 265 HA2 GLY 36 HA2 GLY 36 3.385 0.806 -3.353 266 HA3 GLY 36 HA3 GLY 36 4.759 0.435 -2.331 267 H PHE 37 H PHE 37 6.903 1.752 -3.260 268 HA PHE 37 HA PHE 37 6.476 4.371 -2.520 269 HB2 PHE 37 HB2 PHE 37 8.636 2.930 -2.712 270 HB3 PHE 37 HB3 PHE 37 8.602 3.245 -4.436 271 HD1 PHE 37 HD2 PHE 37 8.826 4.928 -1.137 272 HD2 PHE 37 HD1 PHE 37 9.537 5.211 -5.311 273 HE1 PHE 37 HE2 PHE 37 10.107 7.056 -0.775 274 HE2 PHE 37 HE1 PHE 37 10.818 7.339 -4.949 275 HZ PHE 37 HZ PHE 37 11.088 8.236 -2.685 276 H ALA 38 H ALA 38 6.616 2.877 -5.806 277 HA ALA 38 HA ALA 38 6.593 5.226 -7.273 278 HB1 ALA 38 HB1 ALA 38 6.970 2.811 -8.030 279 HB2 ALA 38 HB2 ALA 38 5.198 2.640 -8.040 280 HB3 ALA 38 HB3 ALA 38 5.984 3.827 -9.109 281 H ALA 39 H ALA 39 3.775 3.093 -6.397 282 HA ALA 39 HA ALA 39 1.809 4.757 -7.358 283 HB1 ALA 39 HB1 ALA 39 0.317 3.439 -6.021 284 HB2 ALA 39 HB2 ALA 39 1.645 2.361 -6.512 285 HB3 ALA 39 HB3 ALA 39 1.606 3.032 -4.864 286 H ILE 40 H ILE 40 2.971 4.504 -3.916 287 HA ILE 40 HA ILE 40 1.543 6.462 -2.785 288 HB ILE 40 HB ILE 40 4.446 5.750 -2.403 289 HG12 ILE 40 HG12 ILE 40 2.638 4.017 -2.023 290 HG13 ILE 40 HG13 ILE 40 3.714 4.328 -0.675 291 HG21 ILE 40 HG21 ILE 40 4.297 6.868 -0.211 292 HG22 ILE 40 HG22 ILE 40 4.145 8.007 -1.571 293 HG23 ILE 40 HG23 ILE 40 2.699 7.509 -0.661 294 HD11 ILE 40 HD11 ILE 40 1.227 6.003 -0.811 295 HD12 ILE 40 HD12 ILE 40 1.027 4.283 -0.397 296 HD13 ILE 40 HD13 ILE 40 2.065 5.325 0.606 297 H VAL 41 H VAL 41 4.642 6.972 -4.606 298 HA VAL 41 HA VAL 41 4.771 9.696 -4.354 299 HB VAL 41 HB VAL 41 5.636 7.741 -6.461 300 HG11 VAL 41 HG11 VAL 41 5.336 9.602 -7.848 301 HG12 VAL 41 HG12 VAL 41 5.817 10.751 -6.577 302 HG13 VAL 41 HG13 VAL 41 7.042 9.721 -7.355 303 HG21 VAL 41 HG21 VAL 41 7.321 9.541 -4.706 304 HG22 VAL 41 HG22 VAL 41 6.730 7.953 -4.161 305 HG23 VAL 41 HG23 VAL 41 7.806 8.064 -5.574 306 H ALA 42 H ALA 42 3.075 7.753 -6.907 307 HA ALA 42 HA ALA 42 2.105 9.899 -8.356 308 HB1 ALA 42 HB1 ALA 42 0.277 8.167 -8.964 309 HB2 ALA 42 HB2 ALA 42 1.970 7.741 -9.313 310 HB3 ALA 42 HB3 ALA 42 1.158 7.060 -7.883 311 H TYR 43 H TYR 43 0.372 7.958 -5.808 312 HA TYR 43 HA TYR 43 -1.921 9.361 -5.645 313 HB2 TYR 43 HB2 TYR 43 -0.934 7.327 -4.308 314 HB3 TYR 43 HB3 TYR 43 -0.162 8.507 -3.268 315 HD1 TYR 43 HD1 TYR 43 -3.616 8.238 -4.729 316 HD2 TYR 43 HD2 TYR 43 -1.214 8.596 -1.207 317 HE1 TYR 43 HE1 TYR 43 -5.716 8.363 -3.300 318 HE2 TYR 43 HE2 TYR 43 -3.321 8.719 0.209 319 HH TYR 43 HH TYR 43 -6.527 8.665 -1.321 320 H GLY 44 H GLY 44 1.015 10.085 -3.615 321 HA2 GLY 44 HA2 GLY 44 0.056 12.395 -2.431 322 HA3 GLY 44 HA3 GLY 44 1.743 12.008 -2.709 323 H LEU 45 H LEU 45 1.671 11.901 -5.623 324 HA LEU 45 HA LEU 45 2.110 14.594 -6.180 325 HB2 LEU 45 HB2 LEU 45 3.126 12.640 -7.322 326 HB3 LEU 45 HB3 LEU 45 1.590 12.324 -8.104 327 HG LEU 45 HG LEU 45 3.043 14.955 -8.422 328 HD11 LEU 45 HD11 LEU 45 3.427 12.374 -9.934 329 HD12 LEU 45 HD12 LEU 45 3.762 13.960 -10.670 330 HD13 LEU 45 HD13 LEU 45 4.651 13.449 -9.215 331 HD21 LEU 45 HD21 LEU 45 1.626 14.446 -10.723 332 HD22 LEU 45 HD22 LEU 45 0.565 13.780 -9.458 333 HD23 LEU 45 HD23 LEU 45 1.091 15.479 -9.376 334 H TYR 46 H TYR 46 -0.698 12.425 -6.882 335 HA TYR 46 HA TYR 46 -2.161 14.438 -8.228 336 HB2 TYR 46 HB2 TYR 46 -2.334 11.819 -8.213 337 HB3 TYR 46 HB3 TYR 46 -3.111 11.971 -6.650 338 HD1 TYR 46 HD1 TYR 46 -5.243 13.508 -6.563 339 HD2 TYR 46 HD2 TYR 46 -3.632 11.838 -10.157 340 HE1 TYR 46 HE1 TYR 46 -7.489 13.806 -7.717 341 HE2 TYR 46 HE2 TYR 46 -5.883 12.141 -11.299 342 HH TYR 46 HH TYR 46 -8.608 13.610 -9.549 343 H LYS 47 H LYS 47 -2.136 13.178 -4.838 344 HA LYS 47 HA LYS 47 -4.335 14.581 -3.926 345 HB2 LYS 47 HB2 LYS 47 -2.063 13.127 -2.790 346 HB3 LYS 47 HB3 LYS 47 -2.590 14.449 -1.767 347 HG2 LYS 47 HG2 LYS 47 -4.820 13.592 -1.600 348 HG3 LYS 47 HG3 LYS 47 -4.614 12.534 -2.983 349 HD2 LYS 47 HD2 LYS 47 -4.304 10.952 -1.331 350 HD3 LYS 47 HD3 LYS 47 -2.647 11.513 -1.435 351 HE2 LYS 47 HE2 LYS 47 -2.709 12.402 0.664 352 HE3 LYS 47 HE3 LYS 47 -4.227 13.223 0.357 353 HZ1 LYS 47 HZ1 LYS 47 -5.429 11.430 1.136 354 HZ2 LYS 47 HZ2 LYS 47 -4.313 10.315 0.731 355 HZ3 LYS 47 HZ3 LYS 47 -4.065 11.282 2.028 356 H LEU 48 H LEU 48 -0.860 15.552 -4.142 357 HA LEU 48 HA LEU 48 -0.859 17.889 -2.834 358 HB2 LEU 48 HB2 LEU 48 1.129 17.149 -3.791 359 HB3 LEU 48 HB3 LEU 48 0.439 17.029 -5.397 360 HG LEU 48 HG LEU 48 0.246 19.573 -5.370 361 HD11 LEU 48 HD11 LEU 48 2.408 20.054 -3.566 362 HD12 LEU 48 HD12 LEU 48 0.756 20.717 -3.543 363 HD13 LEU 48 HD13 LEU 48 1.117 19.196 -2.691 364 HD21 LEU 48 HD21 LEU 48 2.623 17.882 -5.714 365 HD22 LEU 48 HD22 LEU 48 1.908 19.104 -6.793 366 HD23 LEU 48 HD23 LEU 48 2.985 19.607 -5.469 367 H LYS 49 H LYS 49 -1.672 17.677 -6.375 368 HA LYS 49 HA LYS 49 -2.763 20.290 -6.361 369 HB2 LYS 49 HB2 LYS 49 -1.973 18.353 -8.273 370 HB3 LYS 49 HB3 LYS 49 -3.663 18.692 -8.587 371 HG2 LYS 49 HG2 LYS 49 -3.137 21.165 -8.542 372 HG3 LYS 49 HG3 LYS 49 -1.441 20.774 -8.332 373 HD2 LYS 49 HD2 LYS 49 -2.659 19.314 -10.594 374 HD3 LYS 49 HD3 LYS 49 -2.777 21.053 -10.782 375 HE2 LYS 49 HE2 LYS 49 -0.120 20.328 -9.798 376 HE3 LYS 49 HE3 LYS 49 -0.492 19.422 -11.252 377 HZ1 LYS 49 HZ1 LYS 49 -0.968 21.489 -12.397 378 HZ2 LYS 49 HZ2 LYS 49 -0.789 22.371 -11.040 379 HZ3 LYS 49 HZ3 LYS 49 0.497 21.583 -11.674 380 H SER 50 H SER 50 -4.805 20.997 -5.933 381 HA SER 50 HA SER 50 -6.659 18.939 -5.097 382 HB2 SER 50 HB2 SER 50 -7.705 20.577 -3.765 383 HB3 SER 50 HB3 SER 50 -6.012 21.023 -3.681 384 HG SER 50 HG SER 50 -6.483 22.535 -5.514 385 H ARG 51 H ARG 51 -8.092 18.226 -6.632 386 HA ARG 51 HA ARG 51 -9.317 20.260 -8.281 387 HB2 ARG 51 HB2 ARG 51 -7.343 18.600 -9.322 388 HB3 ARG 51 HB3 ARG 51 -8.794 17.696 -9.706 389 HG2 ARG 51 HG2 ARG 51 -8.700 19.074 -11.576 390 HG3 ARG 51 HG3 ARG 51 -9.689 20.076 -10.532 391 HD2 ARG 51 HD2 ARG 51 -8.134 21.712 -10.846 392 HD3 ARG 51 HD3 ARG 51 -7.094 20.795 -9.775 393 HE ARG 51 HE ARG 51 -6.888 19.696 -12.415 394 HH11 ARG 51 HH22 ARG 51 -5.953 22.591 -10.599 395 HH12 ARG 51 HH21 ARG 51 -4.577 22.923 -11.596 396 HH21 ARG 51 HH12 ARG 51 -5.097 20.140 -13.703 397 HH22 ARG 51 HH11 ARG 51 -4.091 21.513 -13.375 398 H GLY 52 H GLY 52 -9.200 16.691 -7.555 399 HA2 GLY 52 HA2 GLY 52 -12.084 16.485 -7.891 400 HA3 GLY 52 HA3 GLY 52 -10.942 15.187 -7.607 401 H ASN 53 H ASN 53 -12.482 14.391 -5.958 402 HA ASN 53 HA ASN 53 -12.207 15.937 -3.500 403 HB2 ASN 53 HB2 ASN 53 -14.591 15.653 -4.588 404 HB3 ASN 53 HB3 ASN 53 -14.488 13.989 -4.048 405 HD21 ASN 53 HD21 ASN 53 -14.650 17.340 -3.104 406 HD22 ASN 53 HD22 ASN 53 -15.068 17.113 -1.438 407 H THR 54 H THR 54 -11.501 14.719 -1.666 408 HA THR 54 HA THR 54 -11.693 11.919 -1.492 409 HB THR 54 HB THR 54 -10.000 12.049 -3.346 410 HG1 THR 54 HG1 THR 54 -8.385 10.812 -1.989 411 HG21 THR 54 HG21 THR 54 -7.701 12.842 -2.741 412 HG22 THR 54 HG22 THR 54 -8.866 14.187 -2.730 413 HG23 THR 54 HG23 THR 54 -8.332 13.460 -1.196 414 H LYS 55 H LYS 55 -11.043 11.135 0.542 415 HA LYS 55 HA LYS 55 -11.117 13.055 2.569 416 HB2 LYS 55 HB2 LYS 55 -10.657 10.099 2.414 417 HB3 LYS 55 HB3 LYS 55 -10.276 10.924 3.912 418 HG2 LYS 55 HG2 LYS 55 -12.955 11.209 2.476 419 HG3 LYS 55 HG3 LYS 55 -12.663 10.036 3.744 420 HD2 LYS 55 HD2 LYS 55 -11.714 12.421 4.869 421 HD3 LYS 55 HD3 LYS 55 -13.110 12.950 3.952 422 HE2 LYS 55 HE2 LYS 55 -14.509 12.099 5.521 423 HE3 LYS 55 HE3 LYS 55 -13.823 10.500 5.306 424 HZ1 LYS 55 HZ1 LYS 55 -13.532 12.063 7.533 425 HZ2 LYS 55 HZ2 LYS 55 -12.655 10.732 7.204 426 HZ3 LYS 55 HZ3 LYS 55 -12.100 12.203 6.752 427 H MET 56 H MET 56 -9.526 14.645 2.351 428 HA MET 56 HA MET 56 -6.859 13.654 2.956 429 HB2 MET 56 HB2 MET 56 -5.907 15.313 1.360 430 HB3 MET 56 HB3 MET 56 -6.997 14.232 0.515 431 HG2 MET 56 HG2 MET 56 -8.809 16.122 1.149 432 HG3 MET 56 HG3 MET 56 -7.384 17.139 1.233 433 HE1 MET 56 HE1 MET 56 -7.432 18.643 -1.439 434 HE2 MET 56 HE2 MET 56 -9.014 18.065 -2.015 435 HE3 MET 56 HE3 MET 56 -8.756 18.371 -0.281 436 H SER 57 H SER 57 -5.400 15.493 3.808 437 HA SER 57 HA SER 57 -5.023 16.974 5.350 438 HB2 SER 57 HB2 SER 57 -7.492 18.358 4.211 439 HB3 SER 57 HB3 SER 57 -6.326 19.120 5.273 440 HG SER 57 HG SER 57 -6.130 19.308 2.773 441 H ILE 58 H ILE 58 -5.539 15.366 7.036 442 HA ILE 58 HA ILE 58 -8.108 15.921 8.350 443 HB ILE 58 HB ILE 58 -6.428 13.424 8.215 444 HG12 ILE 58 HG12 ILE 58 -7.867 13.634 6.327 445 HG13 ILE 58 HG13 ILE 58 -8.580 12.447 7.401 446 HG21 ILE 58 HG21 ILE 58 -8.323 12.495 9.708 447 HG22 ILE 58 HG22 ILE 58 -7.003 13.417 10.467 448 HG23 ILE 58 HG23 ILE 58 -8.577 14.194 10.175 449 HD11 ILE 58 HD11 ILE 58 -9.922 14.480 8.394 450 HD12 ILE 58 HD12 ILE 58 -9.465 15.297 6.880 451 HD13 ILE 58 HD13 ILE 58 -10.425 13.799 6.828 452 H HIS 59 H HIS 59 -4.838 14.620 9.266 453 HA HIS 59 HA HIS 59 -4.567 16.813 11.127 454 HB2 HIS 59 HB2 HIS 59 -4.975 13.953 11.950 455 HB3 HIS 59 HB3 HIS 59 -3.919 14.980 12.900 456 HD1 HIS 59 HD1 HIS 59 -5.117 17.331 13.755 457 HD2 HIS 59 HD2 HIS 59 -7.631 14.183 12.588 458 HE1 HIS 59 HE1 HIS 59 -7.407 17.836 14.760 459 H LEU 60 H LEU 60 -3.007 17.105 9.210 460 HA LEU 60 HA LEU 60 -0.578 15.543 9.756 461 HB2 LEU 60 HB2 LEU 60 -0.023 15.545 7.518 462 HB3 LEU 60 HB3 LEU 60 -1.744 15.214 7.521 463 HG LEU 60 HG LEU 60 -0.952 18.068 7.237 464 HD11 LEU 60 HD11 LEU 60 -0.078 17.988 5.124 465 HD12 LEU 60 HD12 LEU 60 0.606 16.491 5.801 466 HD13 LEU 60 HD13 LEU 60 -0.826 16.417 4.747 467 HD21 LEU 60 HD21 LEU 60 -2.975 16.393 5.730 468 HD22 LEU 60 HD22 LEU 60 -3.312 17.257 7.249 469 HD23 LEU 60 HD23 LEU 60 -2.859 18.168 5.789 470 H ILE 61 H ILE 61 1.451 16.712 9.702 471 HA ILE 61 HA ILE 61 1.040 19.518 10.419 472 HB ILE 61 HB ILE 61 2.063 18.003 12.074 473 HG12 ILE 61 HG12 ILE 61 4.229 19.487 12.312 474 HG13 ILE 61 HG13 ILE 61 3.518 20.396 10.993 475 HG21 ILE 61 HG21 ILE 61 4.692 17.725 11.248 476 HG22 ILE 61 HG22 ILE 61 3.463 16.439 11.327 477 HG23 ILE 61 HG23 ILE 61 3.749 17.305 9.798 478 HD11 ILE 61 HD11 ILE 61 2.809 20.448 13.788 479 HD12 ILE 61 HD12 ILE 61 2.147 21.432 12.461 480 HD13 ILE 61 HD13 ILE 61 1.407 19.863 12.860 481 H HIS 62 H HIS 62 0.676 19.518 7.858 482 HA HIS 62 HA HIS 62 1.399 20.146 5.882 483 HB2 HIS 62 HB2 HIS 62 3.712 21.363 7.416 484 HB3 HIS 62 HB3 HIS 62 3.207 21.797 5.795 485 HD1 HIS 62 HD1 HIS 62 3.247 23.674 8.445 486 HD2 HIS 62 HD2 HIS 62 -0.105 21.954 6.602 487 HE1 HIS 62 HE1 HIS 62 1.246 25.104 9.123 488 H MET 63 H MET 63 3.401 20.076 4.268 489 HA MET 63 HA MET 63 4.858 18.862 3.207 490 HB2 MET 63 HB2 MET 63 5.784 18.910 5.915 491 HB3 MET 63 HB3 MET 63 5.981 17.248 5.394 492 HG2 MET 63 HG2 MET 63 6.854 19.110 3.298 493 HG3 MET 63 HG3 MET 63 7.697 19.423 4.802 494 HE1 MET 63 HE1 MET 63 10.107 18.213 3.019 495 HE2 MET 63 HE2 MET 63 9.374 17.002 1.940 496 HE3 MET 63 HE3 MET 63 8.638 18.615 2.098 497 H ARG 64 H ARG 64 4.611 17.024 1.969 498 HA ARG 64 HA ARG 64 2.758 15.094 3.000 499 HB2 ARG 64 HB2 ARG 64 3.954 15.701 0.276 500 HB3 ARG 64 HB3 ARG 64 3.175 14.153 0.542 501 HG2 ARG 64 HG2 ARG 64 1.294 15.846 1.629 502 HG3 ARG 64 HG3 ARG 64 1.971 16.882 0.387 503 HD2 ARG 64 HD2 ARG 64 1.626 14.966 -1.278 504 HD3 ARG 64 HD3 ARG 64 0.767 14.104 -0.018 505 HE ARG 64 HE ARG 64 -0.174 16.494 -1.468 506 HH11 ARG 64 HH22 ARG 64 -0.666 14.357 1.315 507 HH12 ARG 64 HH21 ARG 64 -2.317 14.828 1.542 508 HH21 ARG 64 HH12 ARG 64 -2.319 17.096 -1.162 509 HH22 ARG 64 HH11 ARG 64 -3.259 16.399 0.117 510 H VAL 65 H VAL 65 6.117 15.244 1.636 511 HA VAL 65 HA VAL 65 6.812 12.642 1.607 512 HB VAL 65 HB VAL 65 8.376 15.066 2.497 513 HG11 VAL 65 HG11 VAL 65 9.875 13.573 3.295 514 HG12 VAL 65 HG12 VAL 65 9.164 12.215 2.391 515 HG13 VAL 65 HG13 VAL 65 10.274 13.343 1.575 516 HG21 VAL 65 HG21 VAL 65 7.500 15.122 0.195 517 HG22 VAL 65 HG22 VAL 65 9.276 15.011 0.223 518 HG23 VAL 65 HG23 VAL 65 8.300 13.568 -0.144 519 H ALA 66 H ALA 66 7.105 14.821 4.506 520 HA ALA 66 HA ALA 66 7.968 12.950 6.296 521 HB1 ALA 66 HB1 ALA 66 6.637 15.567 6.335 522 HB2 ALA 66 HB2 ALA 66 6.233 14.570 7.753 523 HB3 ALA 66 HB3 ALA 66 7.934 14.933 7.376 524 H ALA 67 H ALA 67 4.505 13.913 5.714 525 HA ALA 67 HA ALA 67 3.350 12.037 7.341 526 HB1 ALA 67 HB1 ALA 67 1.413 12.269 5.634 527 HB2 ALA 67 HB2 ALA 67 1.987 13.746 6.445 528 HB3 ALA 67 HB3 ALA 67 2.490 13.396 4.774 529 H GLN 68 H GLN 68 4.857 11.671 4.143 530 HA GLN 68 HA GLN 68 3.692 9.197 3.564 531 HB2 GLN 68 HB2 GLN 68 5.378 11.024 2.264 532 HB3 GLN 68 HB3 GLN 68 6.384 9.600 2.442 533 HG2 GLN 68 HG2 GLN 68 4.339 8.258 1.534 534 HG3 GLN 68 HG3 GLN 68 3.681 9.811 1.060 535 HE21 GLN 68 HE21 GLN 68 6.564 7.765 0.821 536 HE22 GLN 68 HE22 GLN 68 7.068 8.264 -0.759 537 H GLY 69 H GLY 69 6.709 10.207 5.251 538 HA2 GLY 69 HA2 GLY 69 7.810 7.611 5.509 539 HA3 GLY 69 HA3 GLY 69 8.231 9.040 6.432 540 H PHE 70 H PHE 70 5.487 9.563 7.437 541 HA PHE 70 HA PHE 70 5.620 7.961 9.740 542 HB2 PHE 70 HB2 PHE 70 4.511 10.362 8.966 543 HB3 PHE 70 HB3 PHE 70 3.081 9.356 8.852 544 HD1 PHE 70 HD1 PHE 70 5.766 10.391 11.199 545 HD2 PHE 70 HD2 PHE 70 1.846 8.825 10.769 546 HE1 PHE 70 HE1 PHE 70 5.401 10.629 13.670 547 HE2 PHE 70 HE2 PHE 70 1.480 9.063 13.241 548 HZ PHE 70 HZ PHE 70 3.262 9.962 14.662 549 H VAL 71 H VAL 71 3.247 8.071 6.987 550 HA VAL 71 HA VAL 71 1.721 5.919 7.949 551 HB VAL 71 HB VAL 71 0.726 5.946 5.731 552 HG11 VAL 71 HG11 VAL 71 -0.410 7.849 6.148 553 HG12 VAL 71 HG12 VAL 71 0.637 7.959 7.584 554 HG13 VAL 71 HG13 VAL 71 1.058 8.855 6.104 555 HG21 VAL 71 HG21 VAL 71 2.797 6.224 4.415 556 HG22 VAL 71 HG22 VAL 71 1.548 7.405 3.954 557 HG23 VAL 71 HG23 VAL 71 2.917 7.909 4.974 558 H VAL 72 H VAL 72 4.543 6.174 5.728 559 HA VAL 72 HA VAL 72 4.515 3.547 4.828 560 HB VAL 72 HB VAL 72 6.528 5.734 5.094 561 HG11 VAL 72 HG11 VAL 72 8.047 4.061 5.607 562 HG12 VAL 72 HG12 VAL 72 7.170 2.826 4.672 563 HG13 VAL 72 HG13 VAL 72 8.117 4.075 3.829 564 HG21 VAL 72 HG21 VAL 72 5.890 6.098 2.991 565 HG22 VAL 72 HG22 VAL 72 6.448 4.472 2.528 566 HG23 VAL 72 HG23 VAL 72 4.775 4.713 3.086 567 H GLY 73 H GLY 73 5.886 5.051 7.797 568 HA2 GLY 73 HA2 GLY 73 7.304 2.803 8.707 569 HA3 GLY 73 HA3 GLY 73 6.726 4.145 9.674 570 H ALA 74 H ALA 74 4.009 4.064 9.615 571 HA ALA 74 HA ALA 74 3.381 2.003 11.352 572 HB1 ALA 74 HB1 ALA 74 2.113 4.052 11.306 573 HB2 ALA 74 HB2 ALA 74 1.667 3.805 9.601 574 HB3 ALA 74 HB3 ALA 74 1.005 2.733 10.858 575 H MET 75 H MET 75 3.071 2.281 7.781 576 HA MET 75 HA MET 75 1.584 -0.086 7.526 577 HB2 MET 75 HB2 MET 75 2.168 2.016 5.891 578 HB3 MET 75 HB3 MET 75 3.396 0.906 5.315 579 HG2 MET 75 HG2 MET 75 1.854 -0.533 4.361 580 HG3 MET 75 HG3 MET 75 0.668 -0.280 5.627 581 HE1 MET 75 HE1 MET 75 -1.660 2.138 4.564 582 HE2 MET 75 HE2 MET 75 -1.694 0.499 3.869 583 HE3 MET 75 HE3 MET 75 -1.123 0.748 5.537 584 H THR 76 H THR 76 5.058 0.685 7.683 585 HA THR 76 HA THR 76 6.005 -1.742 6.608 586 HB THR 76 HB THR 76 7.146 0.416 8.445 587 HG1 THR 76 HG1 THR 76 7.130 1.164 6.340 588 HG21 THR 76 HG21 THR 76 8.679 -1.807 7.006 589 HG22 THR 76 HG22 THR 76 9.359 -0.538 8.053 590 HG23 THR 76 HG23 THR 76 8.352 -1.827 8.756 591 H VAL 77 H VAL 77 5.427 -0.683 10.022 592 HA VAL 77 HA VAL 77 6.186 -3.194 11.074 593 HB VAL 77 HB VAL 77 5.250 -2.321 13.149 594 HG11 VAL 77 HG11 VAL 77 7.383 -1.515 12.993 595 HG12 VAL 77 HG12 VAL 77 7.078 -0.682 11.449 596 HG13 VAL 77 HG13 VAL 77 6.505 0.034 12.975 597 HG21 VAL 77 HG21 VAL 77 3.241 -1.246 12.459 598 HG22 VAL 77 HG22 VAL 77 4.290 0.027 13.127 599 HG23 VAL 77 HG23 VAL 77 4.118 -0.150 11.365 600 H GLY 78 H GLY 78 2.992 -1.626 10.376 601 HA2 GLY 78 HA2 GLY 78 1.313 -3.601 11.292 602 HA3 GLY 78 HA3 GLY 78 0.980 -2.533 9.943 603 H MET 79 H MET 79 2.806 -3.279 7.990 604 HA MET 79 HA MET 79 1.607 -5.570 6.991 605 HB2 MET 79 HB2 MET 79 2.811 -3.630 5.754 606 HB3 MET 79 HB3 MET 79 4.324 -4.404 6.180 607 HG2 MET 79 HG2 MET 79 3.953 -5.346 4.072 608 HG3 MET 79 HG3 MET 79 3.207 -6.561 5.091 609 HE1 MET 79 HE1 MET 79 3.114 -5.628 2.185 610 HE2 MET 79 HE2 MET 79 1.622 -6.579 1.987 611 HE3 MET 79 HE3 MET 79 1.625 -4.839 1.611 612 H GLY 80 H GLY 80 4.887 -5.018 8.437 613 HA2 GLY 80 HA2 GLY 80 6.018 -7.484 8.074 614 HA3 GLY 80 HA3 GLY 80 6.300 -6.444 9.455 615 H TYR 81 H TYR 81 3.622 -6.446 10.573 616 HA TYR 81 HA TYR 81 3.716 -9.056 11.815 617 HB2 TYR 81 HB2 TYR 81 3.414 -6.661 12.872 618 HB3 TYR 81 HB3 TYR 81 1.801 -6.677 12.188 619 HD1 TYR 81 HD2 TYR 81 3.894 -9.141 14.114 620 HD2 TYR 81 HD1 TYR 81 0.157 -7.088 13.760 621 HE1 TYR 81 HE2 TYR 81 3.026 -10.351 16.175 622 HE2 TYR 81 HE1 TYR 81 -0.699 -8.305 15.822 623 HH TYR 81 HH TYR 81 -0.317 -9.893 17.259 624 H SER 82 H SER 82 1.964 -7.417 9.276 625 HA SER 82 HA SER 82 0.040 -7.813 8.282 626 HB2 SER 82 HB2 SER 82 1.740 -9.601 7.496 627 HB3 SER 82 HB3 SER 82 0.846 -10.740 8.483 628 HG SER 82 HG SER 82 0.159 -9.564 6.026 629 H MET 83 H MET 83 -1.168 -7.193 10.343 630 HA MET 83 HA MET 83 -2.593 -7.555 11.971 631 HB2 MET 83 HB2 MET 83 -4.601 -8.821 11.250 632 HB3 MET 83 HB3 MET 83 -3.959 -7.935 9.881 633 HG2 MET 83 HG2 MET 83 -2.977 -9.909 8.916 634 HG3 MET 83 HG3 MET 83 -3.128 -10.816 10.407 635 HE1 MET 83 HE1 MET 83 -5.028 -11.273 6.986 636 HE2 MET 83 HE2 MET 83 -3.672 -11.885 7.964 637 HE3 MET 83 HE3 MET 83 -5.262 -12.681 8.049 638 H TYR 84 H TYR 84 -4.087 -9.776 12.903 639 HA TYR 84 HA TYR 84 -1.952 -11.258 14.199 640 HB2 TYR 84 HB2 TYR 84 -4.832 -10.477 14.569 641 HB3 TYR 84 HB3 TYR 84 -4.465 -12.088 15.153 642 HD1 TYR 84 HD2 TYR 84 -3.741 -8.491 15.587 643 HD2 TYR 84 HD1 TYR 84 -3.113 -12.432 17.130 644 HE1 TYR 84 HE2 TYR 84 -2.828 -7.508 17.747 645 HE2 TYR 84 HE1 TYR 84 -2.203 -11.436 19.284 646 HH TYR 84 HH TYR 84 -1.312 -9.521 20.144 647 H ARG 85 H ARG 85 -1.220 -12.799 12.696 648 HA ARG 85 HA ARG 85 -2.795 -15.091 12.540 649 HB2 ARG 85 HB2 ARG 85 -3.985 -13.916 10.738 650 HB3 ARG 85 HB3 ARG 85 -2.476 -13.472 9.966 651 HG2 ARG 85 HG2 ARG 85 -2.343 -16.292 10.241 652 HG3 ARG 85 HG3 ARG 85 -3.996 -15.969 9.756 653 HD2 ARG 85 HD2 ARG 85 -3.277 -15.691 7.621 654 HD3 ARG 85 HD3 ARG 85 -2.394 -14.265 8.131 655 HE ARG 85 HE ARG 85 -0.434 -15.490 7.868 656 HH11 ARG 85 HH22 ARG 85 -3.050 -17.765 8.601 657 HH12 ARG 85 HH21 ARG 85 -2.037 -19.163 8.472 658 HH21 ARG 85 HH12 ARG 85 0.871 -17.314 7.704 659 HH22 ARG 85 HH11 ARG 85 0.212 -18.898 7.957 660 H GLU 86 H GLU 86 -0.260 -13.231 10.701 661 HA GLU 86 HA GLU 86 1.286 -15.591 10.352 662 HB2 GLU 86 HB2 GLU 86 1.102 -13.144 9.050 663 HB3 GLU 86 HB3 GLU 86 2.626 -12.987 9.900 664 HG2 GLU 86 HG2 GLU 86 3.008 -15.479 8.951 665 HG3 GLU 86 HG3 GLU 86 1.841 -14.954 7.753 666 H PHE 87 H PHE 87 2.200 -16.478 12.177 667 HA PHE 87 HA PHE 87 3.436 -14.616 14.068 668 HB2 PHE 87 HB2 PHE 87 1.627 -16.624 14.465 669 HB3 PHE 87 HB3 PHE 87 3.077 -17.608 14.478 670 HD1 PHE 87 HD2 PHE 87 4.778 -17.286 16.239 671 HD2 PHE 87 HD1 PHE 87 1.108 -15.156 16.292 672 HE1 PHE 87 HE2 PHE 87 5.147 -16.711 18.654 673 HE2 PHE 87 HE1 PHE 87 1.478 -14.580 18.707 674 HZ PHE 87 HZ PHE 87 3.493 -15.364 19.859 675 H TRP 88 H TRP 88 5.488 -14.227 13.211 676 HA TRP 88 HA TRP 88 7.219 -16.580 13.141 677 HB2 TRP 88 HB2 TRP 88 6.344 -15.253 10.820 678 HB3 TRP 88 HB3 TRP 88 7.985 -14.699 11.091 679 HD1 TRP 88 HD1 TRP 88 9.907 -16.384 10.410 680 HE1 TRP 88 HE1 TRP 88 10.090 -18.849 9.486 681 HE3 TRP 88 HE3 TRP 88 5.007 -17.563 11.088 682 HZ2 TRP 88 HZ2 TRP 88 8.208 -20.968 9.150 683 HZ3 TRP 88 HZ3 TRP 88 4.262 -19.850 10.435 684 HH2 TRP 88 HH2 TRP 88 5.773 -21.526 9.496 685 H ALA 89 H ALA 89 7.270 -12.983 12.550 686 HA ALA 89 HA ALA 89 8.438 -11.355 13.485 687 HB1 ALA 89 HB1 ALA 89 8.318 -13.322 15.784 688 HB2 ALA 89 HB2 ALA 89 9.167 -11.766 15.942 689 HB3 ALA 89 HB3 ALA 89 7.426 -11.796 15.571 690 H LYS 90 H LYS 90 10.319 -10.944 12.435 691 HA LYS 90 HA LYS 90 12.285 -12.832 11.961 692 HB2 LYS 90 HB2 LYS 90 12.027 -9.876 11.716 693 HB3 LYS 90 HB3 LYS 90 13.654 -10.525 11.698 694 HG2 LYS 90 HG2 LYS 90 12.739 -12.249 9.952 695 HG3 LYS 90 HG3 LYS 90 11.360 -11.177 9.811 696 HD2 LYS 90 HD2 LYS 90 12.702 -9.359 9.006 697 HD3 LYS 90 HD3 LYS 90 14.193 -10.105 9.547 698 HE2 LYS 90 HE2 LYS 90 14.240 -11.644 7.764 699 HE3 LYS 90 HE3 LYS 90 12.505 -11.590 7.528 700 HZ1 LYS 90 HZ1 LYS 90 13.285 -9.028 7.018 701 HZ2 LYS 90 HZ2 LYS 90 14.517 -9.886 6.388 702 HZ3 LYS 90 HZ3 LYS 90 12.983 -10.198 5.915 703 HA PRO 91 HA PRO 91 13.965 -12.897 16.017 704 HB2 PRO 91 HB2 PRO 91 15.397 -15.206 15.725 705 HB3 PRO 91 HB3 PRO 91 13.718 -15.176 16.225 706 HG2 PRO 91 HG2 PRO 91 14.857 -15.920 13.601 707 HG3 PRO 91 HG3 PRO 91 13.270 -16.281 14.251 708 HD2 PRO 91 HD2 PRO 91 13.910 -14.286 12.292 709 HD3 PRO 91 HD3 PRO 91 12.345 -14.569 13.026 710 H LYS 92 H LYS 92 15.803 -13.336 13.074 711 HA LYS 92 HA LYS 92 18.317 -12.933 14.074 712 HB2 LYS 92 HB2 LYS 92 17.023 -12.272 11.433 713 HB3 LYS 92 HB3 LYS 92 18.702 -11.873 11.732 714 HG2 LYS 92 HG2 LYS 92 19.378 -14.070 11.683 715 HG3 LYS 92 HG3 LYS 92 17.962 -14.635 12.549 716 HD2 LYS 92 HD2 LYS 92 17.499 -13.617 9.763 717 HD3 LYS 92 HD3 LYS 92 18.380 -15.125 9.901 718 HE2 LYS 92 HE2 LYS 92 15.890 -14.837 11.570 719 HE3 LYS 92 HE3 LYS 92 15.673 -15.028 9.841 720 HZ1 LYS 92 HZ1 LYS 92 17.578 -16.873 11.010 721 HZ2 LYS 92 HZ2 LYS 92 16.049 -17.083 11.530 722 HZ3 LYS 92 HZ3 LYS 92 16.374 -17.108 9.926 723 HA PRO 93 HA PRO 93 18.505 -8.807 15.321 724 HB2 PRO 93 HB2 PRO 93 21.103 -8.131 14.812 725 HB3 PRO 93 HB3 PRO 93 20.614 -9.073 16.206 726 HG2 PRO 93 HG2 PRO 93 21.949 -9.984 13.731 727 HG3 PRO 93 HG3 PRO 93 21.837 -10.795 15.280 728 HD2 PRO 93 HD2 PRO 93 20.329 -11.395 12.915 729 HD3 PRO 93 HD3 PRO 93 20.136 -12.128 14.495 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -19.743 -12.306 8.622 2 HA MET 1 HA MET 1 -19.204 -10.793 6.484 3 HB2 MET 1 HB2 MET 1 -19.112 -10.552 9.326 4 HB3 MET 1 HB3 MET 1 -17.553 -9.964 8.783 5 HG2 MET 1 HG2 MET 1 -18.952 -8.583 7.018 6 HG3 MET 1 HG3 MET 1 -20.312 -8.910 8.074 7 HE1 MET 1 HE1 MET 1 -20.016 -8.961 10.484 8 HE2 MET 1 HE2 MET 1 -18.635 -8.288 11.384 9 HE3 MET 1 HE3 MET 1 -20.068 -7.280 11.068 10 H SER 2 H SER 2 -17.746 -11.291 4.875 11 HA SER 2 HA SER 2 -15.024 -11.816 5.787 12 HB2 SER 2 HB2 SER 2 -16.735 -13.185 3.805 13 HB3 SER 2 HB3 SER 2 -15.164 -12.755 3.158 14 HG SER 2 HG SER 2 -15.839 -14.695 5.040 15 H THR 3 H THR 3 -13.560 -10.244 5.226 16 HA THR 3 HA THR 3 -14.366 -7.992 3.736 17 HB THR 3 HB THR 3 -11.929 -7.394 4.035 18 HG1 THR 3 HG1 THR 3 -10.580 -9.111 4.484 19 HG21 THR 3 HG21 THR 3 -13.400 -7.044 6.013 20 HG22 THR 3 HG22 THR 3 -13.208 -8.754 6.466 21 HG23 THR 3 HG23 THR 3 -11.810 -7.654 6.532 22 H ASP 4 H ASP 4 -12.054 -10.667 2.919 23 HA ASP 4 HA ASP 4 -12.081 -9.716 0.209 24 HB2 ASP 4 HB2 ASP 4 -10.471 -11.634 1.849 25 HB3 ASP 4 HB3 ASP 4 -10.624 -12.046 0.152 26 H THR 5 H THR 5 -12.420 -11.447 -1.587 27 HA THR 5 HA THR 5 -13.875 -12.794 -2.614 28 HB THR 5 HB THR 5 -13.306 -14.434 -0.087 29 HG1 THR 5 HG1 THR 5 -11.592 -15.189 -1.549 30 HG21 THR 5 HG21 THR 5 -13.566 -16.363 -1.757 31 HG22 THR 5 HG22 THR 5 -15.091 -15.555 -1.321 32 HG23 THR 5 HG23 THR 5 -14.306 -15.195 -2.878 33 H GLY 6 H GLY 6 -15.633 -11.293 -2.550 34 HA2 GLY 6 HA2 GLY 6 -18.046 -11.837 -2.261 35 HA3 GLY 6 HA3 GLY 6 -17.693 -12.023 -0.554 36 H VAL 7 H VAL 7 -17.118 -9.615 -3.224 37 HA VAL 7 HA VAL 7 -18.333 -7.571 -1.594 38 HB VAL 7 HB VAL 7 -15.423 -7.440 -2.406 39 HG11 VAL 7 HG11 VAL 7 -16.763 -5.303 -0.789 40 HG12 VAL 7 HG12 VAL 7 -15.357 -5.203 -1.875 41 HG13 VAL 7 HG13 VAL 7 -16.999 -5.315 -2.553 42 HG21 VAL 7 HG21 VAL 7 -16.816 -7.670 0.270 43 HG22 VAL 7 HG22 VAL 7 -15.554 -8.718 -0.421 44 HG23 VAL 7 HG23 VAL 7 -15.149 -7.068 0.110 45 H SER 8 H SER 8 -16.115 -7.938 -4.458 46 HA SER 8 HA SER 8 -16.234 -7.038 -6.451 47 HB2 SER 8 HB2 SER 8 -19.122 -8.009 -6.293 48 HB3 SER 8 HB3 SER 8 -18.227 -7.708 -7.769 49 HG SER 8 HG SER 8 -16.693 -9.363 -6.316 50 H LEU 9 H LEU 9 -16.059 -4.820 -5.352 51 HA LEU 9 HA LEU 9 -17.792 -3.028 -6.583 52 HB2 LEU 9 HB2 LEU 9 -18.798 -4.086 -4.110 53 HB3 LEU 9 HB3 LEU 9 -18.435 -2.384 -3.907 54 HG LEU 9 HG LEU 9 -19.902 -2.996 -6.387 55 HD11 LEU 9 HD11 LEU 9 -22.060 -3.077 -4.797 56 HD12 LEU 9 HD12 LEU 9 -21.243 -4.536 -5.408 57 HD13 LEU 9 HD13 LEU 9 -20.908 -3.952 -3.760 58 HD21 LEU 9 HD21 LEU 9 -21.107 -1.018 -5.843 59 HD22 LEU 9 HD22 LEU 9 -20.566 -1.073 -4.148 60 HD23 LEU 9 HD23 LEU 9 -19.398 -0.718 -5.444 61 HA PRO 10 HA PRO 10 -13.792 -1.610 -4.957 62 HB2 PRO 10 HB2 PRO 10 -12.505 -1.237 -7.339 63 HB3 PRO 10 HB3 PRO 10 -12.344 -2.695 -6.380 64 HG2 PRO 10 HG2 PRO 10 -13.878 -2.275 -8.872 65 HG3 PRO 10 HG3 PRO 10 -13.359 -3.782 -8.143 66 HD2 PRO 10 HD2 PRO 10 -16.002 -2.670 -8.089 67 HD3 PRO 10 HD3 PRO 10 -15.456 -4.116 -7.263 68 H SER 11 H SER 11 -15.108 -0.402 -8.012 69 HA SER 11 HA SER 11 -15.868 1.998 -6.784 70 HB2 SER 11 HB2 SER 11 -13.161 1.864 -7.977 71 HB3 SER 11 HB3 SER 11 -14.136 3.169 -8.624 72 HG SER 11 HG SER 11 -13.134 2.783 -5.997 73 H TYR 12 H TYR 12 -16.655 3.620 -8.561 74 HA TYR 12 HA TYR 12 -18.505 2.568 -10.151 75 HB2 TYR 12 HB2 TYR 12 -17.357 5.033 -9.693 76 HB3 TYR 12 HB3 TYR 12 -16.735 4.749 -11.306 77 HD1 TYR 12 HD2 TYR 12 -19.915 4.907 -9.353 78 HD2 TYR 12 HD1 TYR 12 -18.065 5.191 -13.201 79 HE1 TYR 12 HE2 TYR 12 -22.100 5.740 -10.350 80 HE2 TYR 12 HE1 TYR 12 -20.257 6.023 -14.185 81 HH TYR 12 HH TYR 12 -23.169 6.240 -12.172 82 H GLU 13 H GLU 13 -15.138 3.320 -11.313 83 HA GLU 13 HA GLU 13 -15.579 2.187 -13.814 84 HB2 GLU 13 HB2 GLU 13 -13.545 3.642 -12.557 85 HB3 GLU 13 HB3 GLU 13 -12.782 2.098 -12.880 86 HG2 GLU 13 HG2 GLU 13 -12.389 3.325 -14.868 87 HG3 GLU 13 HG3 GLU 13 -13.753 2.308 -15.287 88 H GLU 14 H GLU 14 -15.106 0.123 -14.679 89 HA GLU 14 HA GLU 14 -15.280 -1.973 -12.812 90 HB2 GLU 14 HB2 GLU 14 -15.204 -3.437 -14.808 91 HB3 GLU 14 HB3 GLU 14 -16.329 -2.113 -15.033 92 HG2 GLU 14 HG2 GLU 14 -13.937 -1.028 -15.979 93 HG3 GLU 14 HG3 GLU 14 -13.806 -2.705 -16.471 94 H ASP 15 H ASP 15 -13.706 -3.399 -12.041 95 HA ASP 15 HA ASP 15 -11.290 -3.869 -13.190 96 HB2 ASP 15 HB2 ASP 15 -11.357 -1.405 -11.489 97 HB3 ASP 15 HB3 ASP 15 -10.023 -2.498 -11.178 98 H GLN 16 H GLN 16 -10.808 -5.830 -12.187 99 HA GLN 16 HA GLN 16 -10.498 -6.097 -9.468 100 HB2 GLN 16 HB2 GLN 16 -12.525 -7.741 -9.147 101 HB3 GLN 16 HB3 GLN 16 -12.780 -6.017 -8.968 102 HG2 GLN 16 HG2 GLN 16 -13.067 -6.778 -11.773 103 HG3 GLN 16 HG3 GLN 16 -14.101 -7.780 -10.774 104 HE21 GLN 16 HE21 GLN 16 -15.386 -6.632 -9.090 105 HE22 GLN 16 HE22 GLN 16 -16.111 -5.113 -9.501 106 H GLY 17 H GLY 17 -11.407 -7.592 -12.597 107 HA2 GLY 17 HA2 GLY 17 -10.874 -10.198 -12.353 108 HA3 GLY 17 HA3 GLY 17 -10.339 -9.248 -13.725 109 H SER 18 H SER 18 -8.257 -7.754 -13.031 110 HA SER 18 HA SER 18 -6.150 -9.388 -12.942 111 HB2 SER 18 HB2 SER 18 -6.512 -6.668 -13.014 112 HB3 SER 18 HB3 SER 18 -5.766 -6.839 -11.438 113 HG SER 18 HG SER 18 -4.135 -6.561 -13.033 114 H LYS 19 H LYS 19 -7.776 -7.821 -10.104 115 HA LYS 19 HA LYS 19 -6.055 -8.733 -8.146 116 HB2 LYS 19 HB2 LYS 19 -8.691 -7.518 -8.317 117 HB3 LYS 19 HB3 LYS 19 -8.622 -8.684 -7.012 118 HG2 LYS 19 HG2 LYS 19 -6.824 -7.560 -5.925 119 HG3 LYS 19 HG3 LYS 19 -6.364 -6.690 -7.375 120 HD2 LYS 19 HD2 LYS 19 -7.511 -4.965 -6.375 121 HD3 LYS 19 HD3 LYS 19 -8.901 -5.740 -7.109 122 HE2 LYS 19 HE2 LYS 19 -9.545 -6.805 -5.071 123 HE3 LYS 19 HE3 LYS 19 -7.962 -6.596 -4.350 124 HZ1 LYS 19 HZ1 LYS 19 -9.717 -4.988 -3.572 125 HZ2 LYS 19 HZ2 LYS 19 -8.359 -4.266 -4.109 126 HZ3 LYS 19 HZ3 LYS 19 -9.678 -4.339 -5.074 127 H LEU 20 H LEU 20 -8.939 -10.305 -9.645 128 HA LEU 20 HA LEU 20 -8.912 -12.551 -7.979 129 HB2 LEU 20 HB2 LEU 20 -10.752 -11.701 -9.487 130 HB3 LEU 20 HB3 LEU 20 -9.882 -12.411 -10.832 131 HG LEU 20 HG LEU 20 -10.011 -14.565 -9.198 132 HD11 LEU 20 HD11 LEU 20 -12.773 -13.581 -8.772 133 HD12 LEU 20 HD12 LEU 20 -11.753 -14.635 -7.764 134 HD13 LEU 20 HD13 LEU 20 -11.513 -12.871 -7.734 135 HD21 LEU 20 HD21 LEU 20 -10.693 -14.319 -11.605 136 HD22 LEU 20 HD22 LEU 20 -11.708 -15.414 -10.636 137 HD23 LEU 20 HD23 LEU 20 -12.288 -13.777 -11.028 138 H ILE 21 H ILE 21 -6.949 -11.577 -10.751 139 HA ILE 21 HA ILE 21 -5.951 -14.251 -11.154 140 HB ILE 21 HB ILE 21 -5.370 -11.565 -12.383 141 HG12 ILE 21 HG12 ILE 21 -6.364 -14.032 -13.791 142 HG13 ILE 21 HG13 ILE 21 -7.477 -13.031 -12.880 143 HG21 ILE 21 HG21 ILE 21 -3.255 -12.472 -12.535 144 HG22 ILE 21 HG22 ILE 21 -3.856 -14.144 -12.634 145 HG23 ILE 21 HG23 ILE 21 -4.009 -13.059 -14.037 146 HD11 ILE 21 HD11 ILE 21 -5.599 -11.927 -15.017 147 HD12 ILE 21 HD12 ILE 21 -7.284 -12.409 -15.330 148 HD13 ILE 21 HD13 ILE 21 -6.935 -11.067 -14.214 149 H ARG 22 H ARG 22 -5.314 -11.503 -9.118 150 HA ARG 22 HA ARG 22 -3.669 -10.950 -7.811 151 HB2 ARG 22 HB2 ARG 22 -4.465 -13.544 -7.181 152 HB3 ARG 22 HB3 ARG 22 -2.726 -13.725 -7.288 153 HG2 ARG 22 HG2 ARG 22 -2.692 -11.510 -5.808 154 HG3 ARG 22 HG3 ARG 22 -4.334 -11.977 -5.412 155 HD2 ARG 22 HD2 ARG 22 -1.986 -13.908 -5.151 156 HD3 ARG 22 HD3 ARG 22 -2.482 -12.855 -3.841 157 HE ARG 22 HE ARG 22 -3.901 -15.229 -4.805 158 HH11 ARG 22 HH22 ARG 22 -4.251 -12.175 -3.043 159 HH12 ARG 22 HH21 ARG 22 -5.667 -12.688 -2.187 160 HH21 ARG 22 HH12 ARG 22 -5.740 -15.883 -3.687 161 HH22 ARG 22 HH11 ARG 22 -6.515 -14.816 -2.561 162 H LYS 23 H LYS 23 -2.148 -9.955 -9.235 163 HA LYS 23 HA LYS 23 -0.381 -11.452 -10.838 164 HB2 LYS 23 HB2 LYS 23 0.686 -9.316 -11.273 165 HB3 LYS 23 HB3 LYS 23 -1.057 -9.149 -11.345 166 HG2 LYS 23 HG2 LYS 23 -1.127 -8.161 -9.107 167 HG3 LYS 23 HG3 LYS 23 0.568 -8.515 -8.840 168 HD2 LYS 23 HD2 LYS 23 -0.143 -6.850 -11.250 169 HD3 LYS 23 HD3 LYS 23 -0.271 -6.091 -9.676 170 HE2 LYS 23 HE2 LYS 23 1.963 -5.664 -9.910 171 HE3 LYS 23 HE3 LYS 23 2.185 -7.341 -9.450 172 HZ1 LYS 23 HZ1 LYS 23 2.241 -6.185 -12.157 173 HZ2 LYS 23 HZ2 LYS 23 3.301 -7.213 -11.470 174 HZ3 LYS 23 HZ3 LYS 23 1.828 -7.752 -11.931 175 H ALA 24 H ALA 24 2.166 -10.370 -10.358 176 HA ALA 24 HA ALA 24 2.907 -11.969 -8.065 177 HB1 ALA 24 HB1 ALA 24 5.039 -10.524 -9.468 178 HB2 ALA 24 HB2 ALA 24 4.818 -12.273 -9.226 179 HB3 ALA 24 HB3 ALA 24 4.002 -11.452 -10.578 180 H LYS 25 H LYS 25 1.992 -10.657 -6.354 181 HA LYS 25 HA LYS 25 3.832 -8.782 -5.346 182 HB2 LYS 25 HB2 LYS 25 2.630 -7.445 -7.175 183 HB3 LYS 25 HB3 LYS 25 1.206 -7.522 -6.156 184 HG2 LYS 25 HG2 LYS 25 2.495 -6.484 -4.277 185 HG3 LYS 25 HG3 LYS 25 3.919 -6.408 -5.295 186 HD2 LYS 25 HD2 LYS 25 3.185 -4.533 -6.362 187 HD3 LYS 25 HD3 LYS 25 1.593 -5.213 -6.636 188 HE2 LYS 25 HE2 LYS 25 2.203 -4.443 -3.805 189 HE3 LYS 25 HE3 LYS 25 2.072 -3.115 -4.941 190 HZ1 LYS 25 HZ1 LYS 25 0.000 -5.021 -4.129 191 HZ2 LYS 25 HZ2 LYS 25 -0.125 -3.415 -4.368 192 HZ3 LYS 25 HZ3 LYS 25 -0.026 -4.424 -5.653 193 H GLU 26 H GLU 26 2.853 -11.202 -4.412 194 HA GLU 26 HA GLU 26 1.035 -10.287 -2.320 195 HB2 GLU 26 HB2 GLU 26 0.399 -12.196 -4.131 196 HB3 GLU 26 HB3 GLU 26 1.226 -13.212 -2.967 197 HG2 GLU 26 HG2 GLU 26 -0.311 -11.811 -1.232 198 HG3 GLU 26 HG3 GLU 26 -1.325 -11.646 -2.652 199 H ALA 27 H ALA 27 3.188 -13.168 -2.876 200 HA ALA 27 HA ALA 27 3.988 -13.202 -0.159 201 HB1 ALA 27 HB1 ALA 27 5.813 -14.679 -1.755 202 HB2 ALA 27 HB2 ALA 27 4.422 -15.300 -0.833 203 HB3 ALA 27 HB3 ALA 27 4.222 -14.830 -2.539 204 HA PRO 28 HA PRO 28 7.930 -11.295 -1.942 205 HB2 PRO 28 HB2 PRO 28 8.017 -10.466 -4.545 206 HB3 PRO 28 HB3 PRO 28 8.602 -12.031 -4.018 207 HG2 PRO 28 HG2 PRO 28 6.114 -11.378 -5.474 208 HG3 PRO 28 HG3 PRO 28 6.918 -12.926 -5.315 209 HD2 PRO 28 HD2 PRO 28 4.566 -12.062 -3.919 210 HD3 PRO 28 HD3 PRO 28 5.436 -13.564 -3.676 211 H PHE 29 H PHE 29 8.236 -9.433 -0.915 212 HA PHE 29 HA PHE 29 6.217 -7.413 -1.401 213 HB2 PHE 29 HB2 PHE 29 8.534 -7.899 0.545 214 HB3 PHE 29 HB3 PHE 29 7.724 -6.345 0.513 215 HD1 PHE 29 HD1 PHE 29 5.412 -6.130 1.277 216 HD2 PHE 29 HD2 PHE 29 7.427 -9.861 1.433 217 HE1 PHE 29 HE1 PHE 29 3.653 -7.014 2.834 218 HE2 PHE 29 HE2 PHE 29 5.668 -10.746 2.990 219 HZ PHE 29 HZ PHE 29 3.803 -9.312 3.672 220 H VAL 30 H VAL 30 9.262 -8.288 -2.660 221 HA VAL 30 HA VAL 30 10.703 -5.997 -2.846 222 HB VAL 30 HB VAL 30 10.382 -8.477 -4.356 223 HG11 VAL 30 HG11 VAL 30 10.038 -7.119 -6.285 224 HG12 VAL 30 HG12 VAL 30 11.312 -5.976 -5.794 225 HG13 VAL 30 HG13 VAL 30 11.746 -7.622 -6.314 226 HG21 VAL 30 HG21 VAL 30 12.930 -6.906 -4.039 227 HG22 VAL 30 HG22 VAL 30 12.178 -7.690 -2.629 228 HG23 VAL 30 HG23 VAL 30 12.675 -8.668 -4.031 229 HA PRO 31 HA PRO 31 7.947 -4.606 -6.427 230 HB2 PRO 31 HB2 PRO 31 5.624 -5.937 -6.976 231 HB3 PRO 31 HB3 PRO 31 7.128 -6.244 -7.822 232 HG2 PRO 31 HG2 PRO 31 5.802 -7.879 -5.746 233 HG3 PRO 31 HG3 PRO 31 7.045 -8.352 -6.888 234 HD2 PRO 31 HD2 PRO 31 7.403 -7.783 -4.099 235 HD3 PRO 31 HD3 PRO 31 8.660 -8.143 -5.266 236 H VAL 32 H VAL 32 6.591 -5.693 -3.487 237 HA VAL 32 HA VAL 32 4.373 -3.941 -3.501 238 HB VAL 32 HB VAL 32 5.878 -5.395 -1.323 239 HG11 VAL 32 HG11 VAL 32 4.767 -3.371 -0.415 240 HG12 VAL 32 HG12 VAL 32 3.220 -3.945 -1.084 241 HG13 VAL 32 HG13 VAL 32 4.043 -4.881 0.187 242 HG21 VAL 32 HG21 VAL 32 3.114 -5.974 -2.412 243 HG22 VAL 32 HG22 VAL 32 4.589 -6.684 -3.112 244 HG23 VAL 32 HG23 VAL 32 4.157 -7.018 -1.418 245 H GLY 33 H GLY 33 7.750 -3.750 -2.234 246 HA2 GLY 33 HA2 GLY 33 7.380 -1.163 -1.074 247 HA3 GLY 33 HA3 GLY 33 8.888 -2.020 -1.324 248 H ILE 34 H ILE 34 9.009 -2.426 -4.071 249 HA ILE 34 HA ILE 34 9.870 0.057 -4.978 250 HB ILE 34 HB ILE 34 9.246 -2.530 -6.393 251 HG12 ILE 34 HG12 ILE 34 11.051 -2.819 -4.889 252 HG13 ILE 34 HG13 ILE 34 11.760 -2.645 -6.481 253 HG21 ILE 34 HG21 ILE 34 11.043 -1.024 -7.945 254 HG22 ILE 34 HG22 ILE 34 9.370 -1.481 -8.343 255 HG23 ILE 34 HG23 ILE 34 9.701 0.074 -7.543 256 HD11 ILE 34 HD11 ILE 34 11.789 -0.039 -5.777 257 HD12 ILE 34 HD12 ILE 34 11.831 -0.757 -4.149 258 HD13 ILE 34 HD13 ILE 34 13.103 -1.152 -5.329 259 H ALA 35 H ALA 35 7.063 -1.879 -6.249 260 HA ALA 35 HA ALA 35 5.982 0.207 -7.713 261 HB1 ALA 35 HB1 ALA 35 5.496 -2.375 -7.624 262 HB2 ALA 35 HB2 ALA 35 4.275 -1.915 -6.414 263 HB3 ALA 35 HB3 ALA 35 4.189 -1.249 -8.063 264 H GLY 36 H GLY 36 5.333 -0.880 -4.321 265 HA2 GLY 36 HA2 GLY 36 3.248 0.723 -3.629 266 HA3 GLY 36 HA3 GLY 36 4.558 0.283 -2.552 267 H PHE 37 H PHE 37 6.762 1.615 -3.262 268 HA PHE 37 HA PHE 37 6.331 4.195 -2.424 269 HB2 PHE 37 HB2 PHE 37 8.457 2.526 -2.908 270 HB3 PHE 37 HB3 PHE 37 8.582 3.522 -4.345 271 HD1 PHE 37 HD2 PHE 37 8.517 3.679 -0.640 272 HD2 PHE 37 HD1 PHE 37 9.574 5.650 -4.247 273 HE1 PHE 37 HE2 PHE 37 9.758 5.420 0.675 274 HE2 PHE 37 HE1 PHE 37 10.815 7.391 -2.932 275 HZ PHE 37 HZ PHE 37 10.892 7.255 -0.487 276 H ALA 38 H ALA 38 6.848 2.959 -5.799 277 HA ALA 38 HA ALA 38 6.844 5.358 -7.113 278 HB1 ALA 38 HB1 ALA 38 7.191 2.919 -7.937 279 HB2 ALA 38 HB2 ALA 38 5.427 2.904 -8.180 280 HB3 ALA 38 HB3 ALA 38 6.436 4.081 -9.054 281 H ALA 39 H ALA 39 3.956 3.215 -6.542 282 HA ALA 39 HA ALA 39 2.061 4.926 -7.531 283 HB1 ALA 39 HB1 ALA 39 1.814 2.517 -6.779 284 HB2 ALA 39 HB2 ALA 39 1.732 3.121 -5.106 285 HB3 ALA 39 HB3 ALA 39 0.487 3.596 -6.287 286 H ILE 40 H ILE 40 3.041 4.573 -4.042 287 HA ILE 40 HA ILE 40 1.569 6.504 -2.926 288 HB ILE 40 HB ILE 40 4.416 5.673 -2.447 289 HG12 ILE 40 HG12 ILE 40 2.800 3.979 -1.949 290 HG13 ILE 40 HG13 ILE 40 3.393 4.629 -0.433 291 HG21 ILE 40 HG21 ILE 40 3.591 6.922 -0.116 292 HG22 ILE 40 HG22 ILE 40 4.778 7.541 -1.289 293 HG23 ILE 40 HG23 ILE 40 3.073 8.041 -1.400 294 HD11 ILE 40 HD11 ILE 40 1.262 6.300 -0.856 295 HD12 ILE 40 HD12 ILE 40 0.676 4.816 -1.645 296 HD13 ILE 40 HD13 ILE 40 1.158 4.782 0.068 297 H VAL 41 H VAL 41 4.818 7.104 -4.446 298 HA VAL 41 HA VAL 41 4.901 9.801 -4.163 299 HB VAL 41 HB VAL 41 5.840 7.975 -6.369 300 HG11 VAL 41 HG11 VAL 41 5.492 10.309 -7.233 301 HG12 VAL 41 HG12 VAL 41 6.660 10.875 -6.015 302 HG13 VAL 41 HG13 VAL 41 7.179 9.745 -7.289 303 HG21 VAL 41 HG21 VAL 41 7.001 9.108 -3.847 304 HG22 VAL 41 HG22 VAL 41 7.111 7.463 -4.518 305 HG23 VAL 41 HG23 VAL 41 8.083 8.778 -5.221 306 H ALA 42 H ALA 42 3.378 7.955 -6.895 307 HA ALA 42 HA ALA 42 2.476 10.133 -8.318 308 HB1 ALA 42 HB1 ALA 42 1.334 8.561 -9.558 309 HB2 ALA 42 HB2 ALA 42 2.438 7.478 -8.677 310 HB3 ALA 42 HB3 ALA 42 0.760 7.683 -8.120 311 H TYR 43 H TYR 43 0.602 8.147 -5.908 312 HA TYR 43 HA TYR 43 -1.688 9.560 -5.829 313 HB2 TYR 43 HB2 TYR 43 -0.508 7.537 -4.426 314 HB3 TYR 43 HB3 TYR 43 -0.242 8.811 -3.252 315 HD1 TYR 43 HD2 TYR 43 -2.154 9.896 -2.116 316 HD2 TYR 43 HD1 TYR 43 -2.727 6.644 -4.836 317 HE1 TYR 43 HE2 TYR 43 -4.508 9.552 -1.220 318 HE2 TYR 43 HE1 TYR 43 -5.079 6.311 -3.931 319 HH TYR 43 HH TYR 43 -6.131 7.045 -1.341 320 H GLY 44 H GLY 44 1.179 10.240 -3.690 321 HA2 GLY 44 HA2 GLY 44 0.206 12.487 -2.434 322 HA3 GLY 44 HA3 GLY 44 1.897 12.157 -2.759 323 H LEU 45 H LEU 45 2.171 12.312 -5.494 324 HA LEU 45 HA LEU 45 2.342 14.999 -5.976 325 HB2 LEU 45 HB2 LEU 45 3.128 12.713 -7.218 326 HB3 LEU 45 HB3 LEU 45 1.901 13.281 -8.333 327 HG LEU 45 HG LEU 45 4.051 14.073 -9.052 328 HD11 LEU 45 HD11 LEU 45 2.472 15.646 -9.657 329 HD12 LEU 45 HD12 LEU 45 2.149 16.131 -7.975 330 HD13 LEU 45 HD13 LEU 45 3.659 16.634 -8.771 331 HD21 LEU 45 HD21 LEU 45 5.506 14.088 -7.279 332 HD22 LEU 45 HD22 LEU 45 5.194 15.831 -7.463 333 HD23 LEU 45 HD23 LEU 45 4.357 14.906 -6.193 334 H TYR 46 H TYR 46 -0.278 12.704 -6.977 335 HA TYR 46 HA TYR 46 -1.815 14.688 -8.255 336 HB2 TYR 46 HB2 TYR 46 -1.745 11.939 -8.021 337 HB3 TYR 46 HB3 TYR 46 -3.006 12.274 -6.850 338 HD1 TYR 46 HD2 TYR 46 -4.836 14.073 -7.806 339 HD2 TYR 46 HD1 TYR 46 -2.450 11.415 -10.161 340 HE1 TYR 46 HE2 TYR 46 -6.540 14.199 -9.688 341 HE2 TYR 46 HE1 TYR 46 -4.163 11.550 -12.035 342 HH TYR 46 HH TYR 46 -7.200 13.284 -11.579 343 H LYS 47 H LYS 47 -1.863 13.276 -4.925 344 HA LYS 47 HA LYS 47 -4.169 14.451 -4.021 345 HB2 LYS 47 HB2 LYS 47 -2.279 12.834 -2.957 346 HB3 LYS 47 HB3 LYS 47 -1.876 14.327 -2.133 347 HG2 LYS 47 HG2 LYS 47 -4.788 13.857 -2.215 348 HG3 LYS 47 HG3 LYS 47 -3.932 12.547 -1.428 349 HD2 LYS 47 HD2 LYS 47 -4.019 13.881 0.427 350 HD3 LYS 47 HD3 LYS 47 -2.659 14.711 -0.302 351 HE2 LYS 47 HE2 LYS 47 -4.690 15.995 -1.596 352 HE3 LYS 47 HE3 LYS 47 -5.531 15.564 -0.121 353 HZ1 LYS 47 HZ1 LYS 47 -3.742 16.646 1.145 354 HZ2 LYS 47 HZ2 LYS 47 -2.956 17.044 -0.225 355 HZ3 LYS 47 HZ3 LYS 47 -4.439 17.666 0.071 356 H LEU 48 H LEU 48 -0.867 15.835 -4.357 357 HA LEU 48 HA LEU 48 -1.110 18.134 -2.958 358 HB2 LEU 48 HB2 LEU 48 0.700 17.082 -4.654 359 HB3 LEU 48 HB3 LEU 48 0.079 18.374 -5.661 360 HG LEU 48 HG LEU 48 0.795 19.136 -2.882 361 HD11 LEU 48 HD11 LEU 48 2.956 18.503 -4.910 362 HD12 LEU 48 HD12 LEU 48 3.177 19.210 -3.291 363 HD13 LEU 48 HD13 LEU 48 2.591 17.538 -3.459 364 HD21 LEU 48 HD21 LEU 48 1.476 20.425 -5.535 365 HD22 LEU 48 HD22 LEU 48 -0.034 20.715 -4.638 366 HD23 LEU 48 HD23 LEU 48 1.530 21.162 -3.916 367 H LYS 49 H LYS 49 -1.877 17.920 -6.508 368 HA LYS 49 HA LYS 49 -3.140 20.372 -6.628 369 HB2 LYS 49 HB2 LYS 49 -2.914 17.962 -8.312 370 HB3 LYS 49 HB3 LYS 49 -4.371 18.894 -8.591 371 HG2 LYS 49 HG2 LYS 49 -2.057 20.668 -8.299 372 HG3 LYS 49 HG3 LYS 49 -1.763 19.473 -9.547 373 HD2 LYS 49 HD2 LYS 49 -3.234 20.464 -10.973 374 HD3 LYS 49 HD3 LYS 49 -4.491 20.516 -9.753 375 HE2 LYS 49 HE2 LYS 49 -2.821 22.483 -8.805 376 HE3 LYS 49 HE3 LYS 49 -2.506 22.616 -10.524 377 HZ1 LYS 49 HZ1 LYS 49 -4.644 23.299 -10.927 378 HZ2 LYS 49 HZ2 LYS 49 -5.312 22.417 -9.731 379 HZ3 LYS 49 HZ3 LYS 49 -4.508 23.797 -9.374 380 H SER 50 H SER 50 -5.121 21.148 -6.051 381 HA SER 50 HA SER 50 -6.834 19.234 -4.716 382 HB2 SER 50 HB2 SER 50 -6.003 21.820 -4.059 383 HB3 SER 50 HB3 SER 50 -7.638 22.076 -4.637 384 HG SER 50 HG SER 50 -6.983 20.037 -2.695 385 H ARG 51 H ARG 51 -8.241 18.258 -6.155 386 HA ARG 51 HA ARG 51 -10.252 19.767 -7.289 387 HB2 ARG 51 HB2 ARG 51 -7.987 19.941 -8.878 388 HB3 ARG 51 HB3 ARG 51 -8.787 18.555 -9.591 389 HG2 ARG 51 HG2 ARG 51 -10.635 19.794 -10.297 390 HG3 ARG 51 HG3 ARG 51 -10.502 20.950 -8.986 391 HD2 ARG 51 HD2 ARG 51 -8.222 21.624 -10.192 392 HD3 ARG 51 HD3 ARG 51 -8.950 20.851 -11.586 393 HE ARG 51 HE ARG 51 -9.830 23.354 -10.306 394 HH11 ARG 51 HH22 ARG 51 -10.696 20.743 -12.540 395 HH12 ARG 51 HH21 ARG 51 -11.916 21.671 -13.347 396 HH21 ARG 51 HH12 ARG 51 -11.417 24.548 -11.363 397 HH22 ARG 51 HH11 ARG 51 -12.323 23.852 -12.668 398 H GLY 52 H GLY 52 -11.401 18.051 -6.175 399 HA2 GLY 52 HA2 GLY 52 -12.561 16.079 -7.435 400 HA3 GLY 52 HA3 GLY 52 -11.001 15.324 -7.174 401 H ASN 53 H ASN 53 -12.645 13.824 -5.949 402 HA ASN 53 HA ASN 53 -13.314 14.897 -3.362 403 HB2 ASN 53 HB2 ASN 53 -13.948 12.332 -4.869 404 HB3 ASN 53 HB3 ASN 53 -14.205 12.397 -3.137 405 HD21 ASN 53 HD21 ASN 53 -16.102 13.033 -2.469 406 HD22 ASN 53 HD22 ASN 53 -17.244 14.016 -3.323 407 H THR 54 H THR 54 -11.763 14.725 -1.737 408 HA THR 54 HA THR 54 -10.355 12.228 -1.398 409 HB THR 54 HB THR 54 -9.008 14.818 -2.278 410 HG1 THR 54 HG1 THR 54 -8.941 11.941 -2.857 411 HG21 THR 54 HG21 THR 54 -7.686 12.370 -0.993 412 HG22 THR 54 HG22 THR 54 -6.846 13.779 -1.682 413 HG23 THR 54 HG23 THR 54 -7.826 13.962 -0.208 414 H LYS 55 H LYS 55 -10.756 11.770 0.668 415 HA LYS 55 HA LYS 55 -10.997 14.011 2.518 416 HB2 LYS 55 HB2 LYS 55 -12.772 12.192 2.279 417 HB3 LYS 55 HB3 LYS 55 -11.634 11.100 3.042 418 HG2 LYS 55 HG2 LYS 55 -11.481 13.181 4.800 419 HG3 LYS 55 HG3 LYS 55 -13.115 13.429 4.217 420 HD2 LYS 55 HD2 LYS 55 -13.401 10.836 4.648 421 HD3 LYS 55 HD3 LYS 55 -11.971 11.010 5.646 422 HE2 LYS 55 HE2 LYS 55 -14.251 12.962 6.031 423 HE3 LYS 55 HE3 LYS 55 -14.414 11.343 6.681 424 HZ1 LYS 55 HZ1 LYS 55 -11.853 12.429 7.308 425 HZ2 LYS 55 HZ2 LYS 55 -13.028 13.420 7.844 426 HZ3 LYS 55 HZ3 LYS 55 -13.029 11.844 8.283 427 H MET 56 H MET 56 -8.801 14.614 2.758 428 HA MET 56 HA MET 56 -7.467 13.303 4.771 429 HB2 MET 56 HB2 MET 56 -7.141 11.891 2.401 430 HB3 MET 56 HB3 MET 56 -5.764 12.972 2.324 431 HG2 MET 56 HG2 MET 56 -5.221 12.234 4.746 432 HG3 MET 56 HG3 MET 56 -6.424 10.977 4.535 433 HE1 MET 56 HE1 MET 56 -6.637 9.763 2.448 434 HE2 MET 56 HE2 MET 56 -5.331 9.277 1.340 435 HE3 MET 56 HE3 MET 56 -5.516 8.460 2.911 436 H SER 57 H SER 57 -7.291 15.473 5.504 437 HA SER 57 HA SER 57 -5.248 16.960 4.071 438 HB2 SER 57 HB2 SER 57 -8.033 17.743 4.453 439 HB3 SER 57 HB3 SER 57 -6.971 18.890 5.246 440 HG SER 57 HG SER 57 -6.396 19.660 3.337 441 H ILE 58 H ILE 58 -3.715 16.264 5.676 442 HA ILE 58 HA ILE 58 -4.171 16.309 8.408 443 HB ILE 58 HB ILE 58 -1.587 16.686 6.890 444 HG12 ILE 58 HG12 ILE 58 -1.630 14.087 7.721 445 HG13 ILE 58 HG13 ILE 58 -3.329 14.343 7.375 446 HG21 ILE 58 HG21 ILE 58 -1.628 17.280 9.376 447 HG22 ILE 58 HG22 ILE 58 -1.901 15.545 9.666 448 HG23 ILE 58 HG23 ILE 58 -0.422 16.087 8.836 449 HD11 ILE 58 HD11 ILE 58 -1.114 14.031 5.515 450 HD12 ILE 58 HD12 ILE 58 -2.862 14.061 5.179 451 HD13 ILE 58 HD13 ILE 58 -1.939 15.582 5.229 452 H HIS 59 H HIS 59 -3.660 17.828 10.068 453 HA HIS 59 HA HIS 59 -4.501 20.353 9.686 454 HB2 HIS 59 HB2 HIS 59 -3.420 18.858 11.777 455 HB3 HIS 59 HB3 HIS 59 -2.357 20.247 11.666 456 HD1 HIS 59 HD1 HIS 59 -4.361 19.747 14.060 457 HD2 HIS 59 HD2 HIS 59 -5.067 22.266 10.780 458 HE1 HIS 59 HE1 HIS 59 -6.105 21.446 14.825 459 H LEU 60 H LEU 60 -1.080 19.179 9.489 460 HA LEU 60 HA LEU 60 -0.337 21.793 8.422 461 HB2 LEU 60 HB2 LEU 60 1.283 19.467 9.457 462 HB3 LEU 60 HB3 LEU 60 1.988 20.880 8.697 463 HG LEU 60 HG LEU 60 0.152 21.533 10.900 464 HD11 LEU 60 HD11 LEU 60 0.957 19.497 11.879 465 HD12 LEU 60 HD12 LEU 60 2.639 19.898 11.458 466 HD13 LEU 60 HD13 LEU 60 1.772 20.866 12.674 467 HD21 LEU 60 HD21 LEU 60 2.613 22.622 11.458 468 HD22 LEU 60 HD22 LEU 60 2.637 22.501 9.683 469 HD23 LEU 60 HD23 LEU 60 1.327 23.390 10.496 470 H ILE 61 H ILE 61 -0.591 22.026 6.267 471 HA ILE 61 HA ILE 61 0.061 19.682 4.619 472 HB ILE 61 HB ILE 61 -1.525 20.626 2.966 473 HG12 ILE 61 HG12 ILE 61 -3.045 22.227 4.861 474 HG13 ILE 61 HG13 ILE 61 -1.446 22.897 4.606 475 HG21 ILE 61 HG21 ILE 61 -3.053 19.228 3.780 476 HG22 ILE 61 HG22 ILE 61 -2.012 19.066 5.215 477 HG23 ILE 61 HG23 ILE 61 -3.341 20.251 5.208 478 HD11 ILE 61 HD11 ILE 61 -1.794 22.814 2.137 479 HD12 ILE 61 HD12 ILE 61 -3.423 22.145 2.402 480 HD13 ILE 61 HD13 ILE 61 -3.039 23.797 2.945 481 H HIS 62 H HIS 62 2.278 20.198 4.418 482 HA HIS 62 HA HIS 62 2.901 21.891 2.324 483 HB2 HIS 62 HB2 HIS 62 4.232 23.619 3.612 484 HB3 HIS 62 HB3 HIS 62 2.490 23.810 3.607 485 HD1 HIS 62 HD1 HIS 62 1.555 24.375 5.844 486 HD2 HIS 62 HD2 HIS 62 5.045 22.067 6.145 487 HE1 HIS 62 HE1 HIS 62 2.026 24.112 8.338 488 H MET 63 H MET 63 3.508 19.333 2.603 489 HA MET 63 HA MET 63 6.280 19.319 2.562 490 HB2 MET 63 HB2 MET 63 5.037 18.893 5.184 491 HB3 MET 63 HB3 MET 63 5.868 17.432 4.689 492 HG2 MET 63 HG2 MET 63 7.841 19.112 4.056 493 HG3 MET 63 HG3 MET 63 7.018 20.194 5.162 494 HE1 MET 63 HE1 MET 63 7.791 19.947 7.985 495 HE2 MET 63 HE2 MET 63 6.183 19.602 7.304 496 HE3 MET 63 HE3 MET 63 6.921 18.469 8.462 497 H ARG 64 H ARG 64 3.451 17.225 3.480 498 HA ARG 64 HA ARG 64 2.634 15.439 2.573 499 HB2 ARG 64 HB2 ARG 64 4.561 15.830 0.228 500 HB3 ARG 64 HB3 ARG 64 3.128 14.822 0.221 501 HG2 ARG 64 HG2 ARG 64 2.300 17.428 1.097 502 HG3 ARG 64 HG3 ARG 64 3.341 17.670 -0.293 503 HD2 ARG 64 HD2 ARG 64 1.634 17.056 -1.656 504 HD3 ARG 64 HD3 ARG 64 1.664 15.451 -0.952 505 HE ARG 64 HE ARG 64 -0.302 17.506 -0.434 506 HH11 ARG 64 HH22 ARG 64 1.412 14.836 1.144 507 HH12 ARG 64 HH21 ARG 64 0.163 14.561 2.312 508 HH21 ARG 64 HH12 ARG 64 -1.917 17.137 1.088 509 HH22 ARG 64 HH11 ARG 64 -1.744 15.884 2.274 510 H VAL 65 H VAL 65 6.132 15.429 1.528 511 HA VAL 65 HA VAL 65 6.690 12.816 1.698 512 HB VAL 65 HB VAL 65 8.988 13.534 2.405 513 HG11 VAL 65 HG11 VAL 65 8.204 13.478 0.036 514 HG12 VAL 65 HG12 VAL 65 7.768 15.198 0.178 515 HG13 VAL 65 HG13 VAL 65 9.468 14.695 0.339 516 HG21 VAL 65 HG21 VAL 65 9.228 16.144 2.274 517 HG22 VAL 65 HG22 VAL 65 7.528 16.132 2.802 518 HG23 VAL 65 HG23 VAL 65 8.778 15.363 3.810 519 H ALA 66 H ALA 66 6.544 15.131 4.475 520 HA ALA 66 HA ALA 66 7.382 13.463 6.471 521 HB1 ALA 66 HB1 ALA 66 5.113 15.062 7.323 522 HB2 ALA 66 HB2 ALA 66 6.843 15.281 7.678 523 HB3 ALA 66 HB3 ALA 66 6.141 15.988 6.203 524 H ALA 67 H ALA 67 3.932 13.998 5.436 525 HA ALA 67 HA ALA 67 2.810 12.063 7.026 526 HB1 ALA 67 HB1 ALA 67 1.629 13.810 5.673 527 HB2 ALA 67 HB2 ALA 67 1.969 12.856 4.210 528 HB3 ALA 67 HB3 ALA 67 0.928 12.185 5.487 529 H GLN 68 H GLN 68 4.745 11.761 4.076 530 HA GLN 68 HA GLN 68 3.901 9.154 3.468 531 HB2 GLN 68 HB2 GLN 68 5.167 10.955 2.017 532 HB3 GLN 68 HB3 GLN 68 6.617 10.260 2.713 533 HG2 GLN 68 HG2 GLN 68 4.670 8.251 1.694 534 HG3 GLN 68 HG3 GLN 68 5.332 9.300 0.456 535 HE21 GLN 68 HE21 GLN 68 5.993 6.862 0.074 536 HE22 GLN 68 HE22 GLN 68 7.605 6.460 0.564 537 H GLY 69 H GLY 69 6.561 10.566 5.434 538 HA2 GLY 69 HA2 GLY 69 7.966 8.166 5.900 539 HA3 GLY 69 HA3 GLY 69 8.039 9.636 6.851 540 H PHE 70 H PHE 70 5.392 9.919 7.768 541 HA PHE 70 HA PHE 70 5.391 8.176 9.936 542 HB2 PHE 70 HB2 PHE 70 4.264 10.547 9.359 543 HB3 PHE 70 HB3 PHE 70 2.925 9.570 8.789 544 HD1 PHE 70 HD1 PHE 70 2.136 7.707 10.529 545 HD2 PHE 70 HD2 PHE 70 4.218 11.261 11.550 546 HE1 PHE 70 HE1 PHE 70 1.250 7.552 12.872 547 HE2 PHE 70 HE2 PHE 70 3.333 11.106 13.894 548 HZ PHE 70 HZ PHE 70 1.859 9.253 14.527 549 H VAL 71 H VAL 71 3.254 8.284 6.997 550 HA VAL 71 HA VAL 71 1.740 6.051 7.704 551 HB VAL 71 HB VAL 71 2.405 7.299 5.033 552 HG11 VAL 71 HG11 VAL 71 1.186 4.788 5.524 553 HG12 VAL 71 HG12 VAL 71 -0.115 5.908 5.053 554 HG13 VAL 71 HG13 VAL 71 1.290 5.677 3.985 555 HG21 VAL 71 HG21 VAL 71 1.029 8.420 7.079 556 HG22 VAL 71 HG22 VAL 71 0.692 8.746 5.362 557 HG23 VAL 71 HG23 VAL 71 -0.289 7.556 6.251 558 H VAL 72 H VAL 72 4.762 6.412 5.754 559 HA VAL 72 HA VAL 72 4.989 3.834 4.858 560 HB VAL 72 HB VAL 72 6.851 6.059 5.509 561 HG11 VAL 72 HG11 VAL 72 8.811 4.692 4.815 562 HG12 VAL 72 HG12 VAL 72 8.116 4.179 6.372 563 HG13 VAL 72 HG13 VAL 72 7.789 3.236 4.898 564 HG21 VAL 72 HG21 VAL 72 5.624 5.927 3.359 565 HG22 VAL 72 HG22 VAL 72 7.391 5.888 3.144 566 HG23 VAL 72 HG23 VAL 72 6.444 4.387 3.007 567 H GLY 73 H GLY 73 6.252 5.230 7.965 568 HA2 GLY 73 HA2 GLY 73 7.375 2.938 9.011 569 HA3 GLY 73 HA3 GLY 73 6.689 4.255 9.943 570 H ALA 74 H ALA 74 3.995 4.200 9.509 571 HA ALA 74 HA ALA 74 3.090 2.192 11.133 572 HB1 ALA 74 HB1 ALA 74 1.438 3.496 8.946 573 HB2 ALA 74 HB2 ALA 74 0.910 2.964 10.560 574 HB3 ALA 74 HB3 ALA 74 1.974 4.382 10.394 575 H MET 75 H MET 75 2.710 2.372 7.516 576 HA MET 75 HA MET 75 1.564 -0.010 7.110 577 HB2 MET 75 HB2 MET 75 2.194 1.751 5.382 578 HB3 MET 75 HB3 MET 75 3.854 1.194 5.456 579 HG2 MET 75 HG2 MET 75 2.764 -1.187 4.925 580 HG3 MET 75 HG3 MET 75 1.430 -0.223 4.325 581 HE1 MET 75 HE1 MET 75 3.204 -1.631 1.406 582 HE2 MET 75 HE2 MET 75 1.769 -1.530 2.455 583 HE3 MET 75 HE3 MET 75 2.003 -0.342 1.150 584 H THR 76 H THR 76 5.143 0.592 7.307 585 HA THR 76 HA THR 76 6.017 -1.970 6.851 586 HB THR 76 HB THR 76 7.015 0.370 8.526 587 HG1 THR 76 HG1 THR 76 7.974 0.706 6.545 588 HG21 THR 76 HG21 THR 76 8.626 -2.126 7.808 589 HG22 THR 76 HG22 THR 76 9.155 -0.741 8.793 590 HG23 THR 76 HG23 THR 76 7.936 -1.872 9.428 591 H VAL 77 H VAL 77 4.987 -0.521 10.002 592 HA VAL 77 HA VAL 77 5.550 -2.728 11.562 593 HB VAL 77 HB VAL 77 3.446 -0.572 11.760 594 HG11 VAL 77 HG11 VAL 77 3.071 -1.195 14.060 595 HG12 VAL 77 HG12 VAL 77 2.777 -2.619 13.033 596 HG13 VAL 77 HG13 VAL 77 4.292 -2.487 13.958 597 HG21 VAL 77 HG21 VAL 77 5.391 0.571 12.078 598 HG22 VAL 77 HG22 VAL 77 5.189 -0.046 13.735 599 HG23 VAL 77 HG23 VAL 77 6.288 -0.873 12.605 600 H GLY 78 H GLY 78 2.512 -1.865 9.779 601 HA2 GLY 78 HA2 GLY 78 0.904 -3.945 10.546 602 HA3 GLY 78 HA3 GLY 78 0.874 -3.179 8.970 603 H MET 79 H MET 79 3.283 -3.888 7.793 604 HA MET 79 HA MET 79 2.753 -6.420 6.895 605 HB2 MET 79 HB2 MET 79 5.059 -4.480 6.786 606 HB3 MET 79 HB3 MET 79 5.425 -6.130 6.322 607 HG2 MET 79 HG2 MET 79 4.368 -5.885 4.320 608 HG3 MET 79 HG3 MET 79 2.911 -5.291 5.091 609 HE1 MET 79 HE1 MET 79 6.694 -3.763 4.948 610 HE2 MET 79 HE2 MET 79 6.209 -4.635 3.473 611 HE3 MET 79 HE3 MET 79 6.415 -2.867 3.435 612 H GLY 80 H GLY 80 5.254 -5.318 9.285 613 HA2 GLY 80 HA2 GLY 80 6.507 -7.717 9.777 614 HA3 GLY 80 HA3 GLY 80 6.300 -6.423 10.940 615 H TYR 81 H TYR 81 3.401 -6.436 11.108 616 HA TYR 81 HA TYR 81 3.099 -8.566 12.965 617 HB2 TYR 81 HB2 TYR 81 2.097 -6.118 12.811 618 HB3 TYR 81 HB3 TYR 81 0.976 -6.782 11.639 619 HD1 TYR 81 HD1 TYR 81 -0.749 -8.418 12.332 620 HD2 TYR 81 HD2 TYR 81 1.877 -6.601 15.179 621 HE1 TYR 81 HE1 TYR 81 -2.286 -9.143 14.223 622 HE2 TYR 81 HE2 TYR 81 0.332 -7.332 17.060 623 HH TYR 81 HH TYR 81 -1.383 -9.298 17.318 624 H SER 82 H SER 82 2.292 -8.053 9.545 625 HA SER 82 HA SER 82 0.954 -10.645 9.617 626 HB2 SER 82 HB2 SER 82 0.207 -8.077 8.335 627 HB3 SER 82 HB3 SER 82 0.098 -9.457 7.260 628 HG SER 82 HG SER 82 -1.809 -8.804 8.785 629 H MET 83 H MET 83 3.521 -11.055 9.473 630 HA MET 83 HA MET 83 3.959 -12.014 6.897 631 HB2 MET 83 HB2 MET 83 4.458 -9.633 6.379 632 HB3 MET 83 HB3 MET 83 5.548 -9.530 7.748 633 HG2 MET 83 HG2 MET 83 6.775 -11.575 6.533 634 HG3 MET 83 HG3 MET 83 5.944 -10.967 5.114 635 HE1 MET 83 HE1 MET 83 9.206 -11.040 6.378 636 HE2 MET 83 HE2 MET 83 9.719 -9.418 6.901 637 HE3 MET 83 HE3 MET 83 8.548 -10.339 7.875 638 H TYR 84 H TYR 84 5.461 -13.682 6.996 639 HA TYR 84 HA TYR 84 6.223 -14.833 9.266 640 HB2 TYR 84 HB2 TYR 84 7.888 -15.947 7.846 641 HB3 TYR 84 HB3 TYR 84 6.580 -15.484 6.775 642 HD1 TYR 84 HD1 TYR 84 6.837 -13.265 5.465 643 HD2 TYR 84 HD2 TYR 84 10.092 -15.243 7.413 644 HE1 TYR 84 HE1 TYR 84 8.489 -11.998 4.006 645 HE2 TYR 84 HE2 TYR 84 11.733 -13.970 5.947 646 HH TYR 84 HH TYR 84 10.585 -11.901 3.332 647 H ARG 85 H ARG 85 7.722 -14.632 10.897 648 HA ARG 85 HA ARG 85 9.478 -13.926 11.987 649 HB2 ARG 85 HB2 ARG 85 10.464 -13.551 9.503 650 HB3 ARG 85 HB3 ARG 85 10.309 -11.861 9.942 651 HG2 ARG 85 HG2 ARG 85 12.324 -12.074 10.973 652 HG3 ARG 85 HG3 ARG 85 11.481 -12.967 12.224 653 HD2 ARG 85 HD2 ARG 85 11.865 -14.904 10.234 654 HD3 ARG 85 HD3 ARG 85 13.336 -13.956 10.140 655 HE ARG 85 HE ARG 85 12.821 -14.432 12.896 656 HH11 ARG 85 HH22 ARG 85 13.662 -16.291 9.999 657 HH12 ARG 85 HH21 ARG 85 14.482 -17.535 10.884 658 HH21 ARG 85 HH12 ARG 85 13.888 -16.054 14.033 659 HH22 ARG 85 HH11 ARG 85 14.607 -17.392 13.197 660 H GLU 86 H GLU 86 9.731 -12.244 13.567 661 HA GLU 86 HA GLU 86 7.571 -10.462 13.692 662 HB2 GLU 86 HB2 GLU 86 9.560 -11.487 15.455 663 HB3 GLU 86 HB3 GLU 86 9.735 -9.744 15.501 664 HG2 GLU 86 HG2 GLU 86 7.064 -11.187 15.840 665 HG3 GLU 86 HG3 GLU 86 8.073 -10.683 17.181 666 H PHE 87 H PHE 87 11.149 -9.978 13.261 667 HA PHE 87 HA PHE 87 10.572 -7.656 11.642 668 HB2 PHE 87 HB2 PHE 87 12.420 -6.482 13.168 669 HB3 PHE 87 HB3 PHE 87 10.759 -6.503 13.727 670 HD1 PHE 87 HD2 PHE 87 13.944 -8.412 13.996 671 HD2 PHE 87 HD1 PHE 87 10.253 -7.383 15.821 672 HE1 PHE 87 HE2 PHE 87 14.669 -9.559 16.108 673 HE2 PHE 87 HE1 PHE 87 10.978 -8.529 17.933 674 HZ PHE 87 HZ PHE 87 13.177 -9.603 18.051 675 H TRP 88 H TRP 88 11.516 -10.063 10.707 676 HA TRP 88 HA TRP 88 13.148 -10.943 9.498 677 HB2 TRP 88 HB2 TRP 88 14.089 -8.111 9.692 678 HB3 TRP 88 HB3 TRP 88 15.167 -9.320 9.023 679 HD1 TRP 88 HD1 TRP 88 14.571 -10.247 6.567 680 HE1 TRP 88 HE1 TRP 88 12.887 -9.575 4.650 681 HE3 TRP 88 HE3 TRP 88 11.706 -7.182 9.440 682 HZ2 TRP 88 HZ2 TRP 88 10.597 -7.875 4.553 683 HZ3 TRP 88 HZ3 TRP 88 9.765 -6.055 8.356 684 HH2 TRP 88 HH2 TRP 88 9.192 -6.361 6.000 685 H ALA 89 H ALA 89 15.640 -11.536 9.645 686 HA ALA 89 HA ALA 89 16.943 -11.149 12.109 687 HB1 ALA 89 HB1 ALA 89 16.521 -13.121 13.274 688 HB2 ALA 89 HB2 ALA 89 14.914 -12.767 12.595 689 HB3 ALA 89 HB3 ALA 89 15.958 -13.983 11.821 690 H LYS 90 H LYS 90 18.297 -10.561 10.138 691 HA LYS 90 HA LYS 90 20.049 -10.979 8.862 692 HB2 LYS 90 HB2 LYS 90 20.548 -12.470 10.993 693 HB3 LYS 90 HB3 LYS 90 20.331 -13.791 9.862 694 HG2 LYS 90 HG2 LYS 90 22.180 -13.166 8.551 695 HG3 LYS 90 HG3 LYS 90 22.082 -11.481 9.020 696 HD2 LYS 90 HD2 LYS 90 22.556 -13.063 11.400 697 HD3 LYS 90 HD3 LYS 90 23.711 -13.549 10.175 698 HE2 LYS 90 HE2 LYS 90 23.851 -10.837 9.863 699 HE3 LYS 90 HE3 LYS 90 23.403 -10.904 11.555 700 HZ1 LYS 90 HZ1 LYS 90 25.340 -12.779 11.418 701 HZ2 LYS 90 HZ2 LYS 90 25.885 -11.713 10.315 702 HZ3 LYS 90 HZ3 LYS 90 25.557 -11.213 11.837 703 HA PRO 91 HA PRO 91 17.513 -13.016 5.807 704 HB2 PRO 91 HB2 PRO 91 17.742 -11.094 3.878 705 HB3 PRO 91 HB3 PRO 91 16.444 -11.121 5.055 706 HG2 PRO 91 HG2 PRO 91 18.819 -9.363 4.954 707 HG3 PRO 91 HG3 PRO 91 17.326 -9.141 5.844 708 HD2 PRO 91 HD2 PRO 91 19.848 -9.993 6.911 709 HD3 PRO 91 HD3 PRO 91 18.328 -9.881 7.776 710 H LYS 92 H LYS 92 18.338 -14.748 4.839 711 HA LYS 92 HA LYS 92 20.037 -14.586 2.723 712 HB2 LYS 92 HB2 LYS 92 21.470 -14.069 5.171 713 HB3 LYS 92 HB3 LYS 92 22.035 -15.574 4.475 714 HG2 LYS 92 HG2 LYS 92 21.891 -14.044 2.206 715 HG3 LYS 92 HG3 LYS 92 22.218 -12.791 3.386 716 HD2 LYS 92 HD2 LYS 92 24.409 -13.367 3.265 717 HD3 LYS 92 HD3 LYS 92 23.998 -14.849 4.104 718 HE2 LYS 92 HE2 LYS 92 23.261 -15.226 1.354 719 HE3 LYS 92 HE3 LYS 92 24.859 -14.507 1.354 720 HZ1 LYS 92 HZ1 LYS 92 25.569 -16.263 2.914 721 HZ2 LYS 92 HZ2 LYS 92 24.089 -16.940 2.876 722 HZ3 LYS 92 HZ3 LYS 92 24.985 -16.865 1.508 723 HA PRO 93 HA PRO 93 19.830 -18.949 4.498 724 HB2 PRO 93 HB2 PRO 93 19.043 -19.379 7.079 725 HB3 PRO 93 HB3 PRO 93 20.724 -19.267 6.596 726 HG2 PRO 93 HG2 PRO 93 19.067 -17.274 8.017 727 HG3 PRO 93 HG3 PRO 93 20.813 -17.369 7.902 728 HD2 PRO 93 HD2 PRO 93 19.094 -15.575 6.469 729 HD3 PRO 93 HD3 PRO 93 20.827 -15.750 6.270 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -6.255 -21.902 4.403 2 HA MET 1 HA MET 1 -7.129 -20.507 5.858 3 HB2 MET 1 HB2 MET 1 -4.470 -19.143 5.409 4 HB3 MET 1 HB3 MET 1 -5.741 -18.164 6.112 5 HG2 MET 1 HG2 MET 1 -6.007 -19.698 7.987 6 HG3 MET 1 HG3 MET 1 -4.986 -20.903 7.227 7 HE1 MET 1 HE1 MET 1 -2.614 -20.353 9.800 8 HE2 MET 1 HE2 MET 1 -3.623 -21.378 8.751 9 HE3 MET 1 HE3 MET 1 -2.042 -20.797 8.174 10 H SER 2 H SER 2 -5.542 -18.629 3.174 11 HA SER 2 HA SER 2 -7.811 -16.934 2.978 12 HB2 SER 2 HB2 SER 2 -5.088 -16.947 2.055 13 HB3 SER 2 HB3 SER 2 -6.115 -16.770 0.646 14 HG SER 2 HG SER 2 -5.600 -14.966 2.712 15 H THR 3 H THR 3 -9.525 -18.519 2.565 16 HA THR 3 HA THR 3 -9.495 -20.413 0.557 17 HB THR 3 HB THR 3 -11.702 -18.745 1.856 18 HG1 THR 3 HG1 THR 3 -11.571 -20.495 3.247 19 HG21 THR 3 HG21 THR 3 -12.705 -19.583 -0.207 20 HG22 THR 3 HG22 THR 3 -11.878 -21.149 -0.030 21 HG23 THR 3 HG23 THR 3 -13.182 -20.699 1.095 22 H ASP 4 H ASP 4 -10.925 -17.081 0.328 23 HA ASP 4 HA ASP 4 -9.769 -16.536 -2.093 24 HB2 ASP 4 HB2 ASP 4 -11.783 -16.760 -3.607 25 HB3 ASP 4 HB3 ASP 4 -11.084 -18.291 -3.118 26 H THR 5 H THR 5 -10.822 -14.496 -3.076 27 HA THR 5 HA THR 5 -11.609 -12.726 -1.052 28 HB THR 5 HB THR 5 -11.682 -12.644 -4.109 29 HG1 THR 5 HG1 THR 5 -9.588 -12.722 -3.068 30 HG21 THR 5 HG21 THR 5 -11.535 -10.064 -3.519 31 HG22 THR 5 HG22 THR 5 -13.136 -10.839 -3.586 32 HG23 THR 5 HG23 THR 5 -12.353 -10.547 -2.014 33 H GLY 6 H GLY 6 -13.619 -13.739 -3.898 34 HA2 GLY 6 HA2 GLY 6 -15.799 -14.416 -3.905 35 HA3 GLY 6 HA3 GLY 6 -15.877 -14.244 -2.163 36 H VAL 7 H VAL 7 -15.203 -12.030 -4.978 37 HA VAL 7 HA VAL 7 -16.024 -10.053 -5.520 38 HB VAL 7 HB VAL 7 -18.388 -11.121 -3.977 39 HG11 VAL 7 HG11 VAL 7 -18.218 -8.597 -5.659 40 HG12 VAL 7 HG12 VAL 7 -19.724 -9.330 -5.055 41 HG13 VAL 7 HG13 VAL 7 -18.521 -8.693 -3.907 42 HG21 VAL 7 HG21 VAL 7 -18.954 -12.178 -5.863 43 HG22 VAL 7 HG22 VAL 7 -18.714 -10.709 -6.839 44 HG23 VAL 7 HG23 VAL 7 -17.335 -11.776 -6.484 45 H SER 8 H SER 8 -14.948 -8.327 -4.723 46 HA SER 8 HA SER 8 -15.200 -7.865 -1.861 47 HB2 SER 8 HB2 SER 8 -13.109 -6.526 -2.098 48 HB3 SER 8 HB3 SER 8 -12.894 -8.191 -2.599 49 HG SER 8 HG SER 8 -11.978 -6.527 -4.073 50 H LEU 9 H LEU 9 -15.207 -5.471 -1.197 51 HA LEU 9 HA LEU 9 -17.320 -4.167 -2.467 52 HB2 LEU 9 HB2 LEU 9 -15.353 -3.520 -0.325 53 HB3 LEU 9 HB3 LEU 9 -16.259 -2.196 -1.030 54 HG LEU 9 HG LEU 9 -18.370 -3.551 -0.508 55 HD11 LEU 9 HD11 LEU 9 -18.105 -5.630 0.224 56 HD12 LEU 9 HD12 LEU 9 -16.352 -5.400 0.429 57 HD13 LEU 9 HD13 LEU 9 -17.467 -4.953 1.742 58 HD21 LEU 9 HD21 LEU 9 -17.300 -2.953 2.135 59 HD22 LEU 9 HD22 LEU 9 -16.929 -1.681 0.947 60 HD23 LEU 9 HD23 LEU 9 -18.616 -2.174 1.224 61 HA PRO 10 HA PRO 10 -15.373 -1.956 -5.619 62 HB2 PRO 10 HB2 PRO 10 -16.994 0.229 -5.879 63 HB3 PRO 10 HB3 PRO 10 -17.389 -1.342 -6.547 64 HG2 PRO 10 HG2 PRO 10 -18.512 -0.008 -4.160 65 HG3 PRO 10 HG3 PRO 10 -19.167 -1.349 -5.078 66 HD2 PRO 10 HD2 PRO 10 -17.843 -1.492 -2.537 67 HD3 PRO 10 HD3 PRO 10 -18.395 -2.842 -3.509 68 H SER 11 H SER 11 -14.057 -0.155 -6.291 69 HA SER 11 HA SER 11 -13.712 2.035 -4.701 70 HB2 SER 11 HB2 SER 11 -11.477 1.434 -3.611 71 HB3 SER 11 HB3 SER 11 -12.901 0.726 -2.875 72 HG SER 11 HG SER 11 -12.461 -1.266 -3.970 73 H TYR 12 H TYR 12 -11.463 -0.444 -6.152 74 HA TYR 12 HA TYR 12 -10.351 1.678 -7.826 75 HB2 TYR 12 HB2 TYR 12 -9.304 -0.405 -6.283 76 HB3 TYR 12 HB3 TYR 12 -9.388 -1.182 -7.851 77 HD1 TYR 12 HD2 TYR 12 -7.961 1.745 -6.047 78 HD2 TYR 12 HD1 TYR 12 -7.777 -0.723 -9.537 79 HE1 TYR 12 HE2 TYR 12 -5.766 2.841 -6.715 80 HE2 TYR 12 HE1 TYR 12 -5.583 0.382 -10.193 81 HH TYR 12 HH TYR 12 -4.539 2.751 -9.683 82 H GLU 13 H GLU 13 -11.441 -1.783 -8.124 83 HA GLU 13 HA GLU 13 -12.213 -2.911 -9.816 84 HB2 GLU 13 HB2 GLU 13 -14.140 -1.351 -9.401 85 HB3 GLU 13 HB3 GLU 13 -13.518 -0.280 -10.640 86 HG2 GLU 13 HG2 GLU 13 -13.669 -2.192 -12.300 87 HG3 GLU 13 HG3 GLU 13 -14.412 -3.172 -11.052 88 H GLU 14 H GLU 14 -9.675 -2.549 -10.363 89 HA GLU 14 HA GLU 14 -9.545 -2.555 -13.120 90 HB2 GLU 14 HB2 GLU 14 -9.754 0.029 -12.426 91 HB3 GLU 14 HB3 GLU 14 -8.033 -0.142 -12.139 92 HG2 GLU 14 HG2 GLU 14 -7.594 -0.757 -14.418 93 HG3 GLU 14 HG3 GLU 14 -9.282 -1.102 -14.740 94 H ASP 15 H ASP 15 -8.595 -4.554 -12.089 95 HA ASP 15 HA ASP 15 -5.758 -4.160 -11.879 96 HB2 ASP 15 HB2 ASP 15 -7.508 -4.876 -9.601 97 HB3 ASP 15 HB3 ASP 15 -6.228 -6.045 -9.857 98 H GLN 16 H GLN 16 -8.572 -6.445 -11.558 99 HA GLN 16 HA GLN 16 -9.003 -8.389 -12.422 100 HB2 GLN 16 HB2 GLN 16 -7.231 -7.178 -14.483 101 HB3 GLN 16 HB3 GLN 16 -7.376 -8.921 -14.582 102 HG2 GLN 16 HG2 GLN 16 -10.016 -8.162 -14.154 103 HG3 GLN 16 HG3 GLN 16 -9.413 -6.824 -15.113 104 HE21 GLN 16 HE21 GLN 16 -9.756 -10.324 -14.949 105 HE22 GLN 16 HE22 GLN 16 -9.718 -10.646 -16.650 106 H GLY 17 H GLY 17 -8.500 -10.094 -11.115 107 HA2 GLY 17 HA2 GLY 17 -6.224 -10.649 -9.809 108 HA3 GLY 17 HA3 GLY 17 -7.321 -11.888 -10.385 109 H SER 18 H SER 18 -7.056 -12.117 -13.039 110 HA SER 18 HA SER 18 -4.836 -13.531 -13.443 111 HB2 SER 18 HB2 SER 18 -6.499 -13.688 -15.105 112 HB3 SER 18 HB3 SER 18 -6.598 -11.952 -15.321 113 HG SER 18 HG SER 18 -5.439 -13.304 -17.028 114 H LYS 19 H LYS 19 -5.270 -9.994 -14.100 115 HA LYS 19 HA LYS 19 -2.758 -9.556 -15.206 116 HB2 LYS 19 HB2 LYS 19 -5.043 -8.032 -14.445 117 HB3 LYS 19 HB3 LYS 19 -3.641 -7.255 -13.739 118 HG2 LYS 19 HG2 LYS 19 -3.382 -6.308 -15.804 119 HG3 LYS 19 HG3 LYS 19 -2.669 -7.846 -16.247 120 HD2 LYS 19 HD2 LYS 19 -4.735 -8.654 -17.194 121 HD3 LYS 19 HD3 LYS 19 -5.670 -7.375 -16.447 122 HE2 LYS 19 HE2 LYS 19 -5.475 -6.373 -18.505 123 HE3 LYS 19 HE3 LYS 19 -3.916 -5.855 -17.894 124 HZ1 LYS 19 HZ1 LYS 19 -2.890 -7.176 -19.383 125 HZ2 LYS 19 HZ2 LYS 19 -3.770 -8.489 -18.993 126 HZ3 LYS 19 HZ3 LYS 19 -4.361 -7.402 -20.063 127 H LEU 20 H LEU 20 -3.910 -9.490 -11.785 128 HA LEU 20 HA LEU 20 -1.465 -8.623 -10.719 129 HB2 LEU 20 HB2 LEU 20 -3.979 -8.947 -9.790 130 HB3 LEU 20 HB3 LEU 20 -3.221 -10.366 -9.094 131 HG LEU 20 HG LEU 20 -1.421 -8.761 -8.195 132 HD11 LEU 20 HD11 LEU 20 -2.858 -6.904 -9.714 133 HD12 LEU 20 HD12 LEU 20 -3.260 -6.530 -8.021 134 HD13 LEU 20 HD13 LEU 20 -1.559 -6.572 -8.543 135 HD21 LEU 20 HD21 LEU 20 -3.303 -9.909 -6.919 136 HD22 LEU 20 HD22 LEU 20 -2.603 -8.447 -6.184 137 HD23 LEU 20 HD23 LEU 20 -4.172 -8.359 -7.018 138 H ILE 21 H ILE 21 -2.522 -11.659 -12.074 139 HA ILE 21 HA ILE 21 -0.433 -13.127 -10.686 140 HB ILE 21 HB ILE 21 -2.718 -13.872 -12.487 141 HG12 ILE 21 HG12 ILE 21 -2.203 -15.251 -9.919 142 HG13 ILE 21 HG13 ILE 21 -2.590 -13.548 -9.784 143 HG21 ILE 21 HG21 ILE 21 -1.975 -16.207 -12.392 144 HG22 ILE 21 HG22 ILE 21 -0.811 -15.179 -13.261 145 HG23 ILE 21 HG23 ILE 21 -0.469 -15.697 -11.592 146 HD11 ILE 21 HD11 ILE 21 -4.607 -15.087 -9.742 147 HD12 ILE 21 HD12 ILE 21 -4.673 -13.835 -11.006 148 HD13 ILE 21 HD13 ILE 21 -4.246 -15.509 -11.433 149 H ARG 22 H ARG 22 -0.989 -11.312 -13.601 150 HA ARG 22 HA ARG 22 0.771 -12.721 -15.242 151 HB2 ARG 22 HB2 ARG 22 -0.366 -9.901 -15.260 152 HB3 ARG 22 HB3 ARG 22 0.830 -10.369 -16.453 153 HG2 ARG 22 HG2 ARG 22 -1.217 -12.439 -16.243 154 HG3 ARG 22 HG3 ARG 22 -1.975 -10.883 -16.516 155 HD2 ARG 22 HD2 ARG 22 -1.530 -11.388 -18.725 156 HD3 ARG 22 HD3 ARG 22 0.023 -10.673 -18.342 157 HE ARG 22 HE ARG 22 0.316 -13.348 -17.612 158 HH11 ARG 22 HH22 ARG 22 -0.580 -11.664 -20.598 159 HH12 ARG 22 HH21 ARG 22 0.052 -12.902 -21.632 160 HH21 ARG 22 HH12 ARG 22 1.133 -14.948 -18.967 161 HH22 ARG 22 HH11 ARG 22 1.032 -14.782 -20.690 162 H LYS 23 H LYS 23 1.109 -9.835 -13.084 163 HA LYS 23 HA LYS 23 3.720 -9.185 -13.755 164 HB2 LYS 23 HB2 LYS 23 1.744 -8.309 -11.947 165 HB3 LYS 23 HB3 LYS 23 3.139 -8.693 -10.959 166 HG2 LYS 23 HG2 LYS 23 3.789 -7.237 -13.475 167 HG3 LYS 23 HG3 LYS 23 2.795 -6.327 -12.355 168 HD2 LYS 23 HD2 LYS 23 4.920 -7.681 -10.890 169 HD3 LYS 23 HD3 LYS 23 5.613 -6.769 -12.217 170 HE2 LYS 23 HE2 LYS 23 4.835 -4.704 -11.395 171 HE3 LYS 23 HE3 LYS 23 3.500 -5.430 -10.521 172 HZ1 LYS 23 HZ1 LYS 23 6.092 -4.872 -9.557 173 HZ2 LYS 23 HZ2 LYS 23 4.813 -5.429 -8.717 174 HZ3 LYS 23 HZ3 LYS 23 5.810 -6.481 -9.477 175 H ALA 24 H ALA 24 2.939 -10.586 -10.524 176 HA ALA 24 HA ALA 24 4.685 -12.818 -10.973 177 HB1 ALA 24 HB1 ALA 24 5.761 -11.526 -8.655 178 HB2 ALA 24 HB2 ALA 24 6.584 -11.921 -10.183 179 HB3 ALA 24 HB3 ALA 24 5.769 -10.350 -9.991 180 H LYS 25 H LYS 25 3.219 -14.304 -10.240 181 HA LYS 25 HA LYS 25 1.248 -13.871 -8.398 182 HB2 LYS 25 HB2 LYS 25 1.315 -15.806 -9.863 183 HB3 LYS 25 HB3 LYS 25 2.747 -16.421 -9.063 184 HG2 LYS 25 HG2 LYS 25 1.536 -17.322 -7.355 185 HG3 LYS 25 HG3 LYS 25 0.610 -15.851 -7.127 186 HD2 LYS 25 HD2 LYS 25 -1.081 -16.509 -8.598 187 HD3 LYS 25 HD3 LYS 25 -0.005 -17.484 -9.578 188 HE2 LYS 25 HE2 LYS 25 -0.552 -18.323 -6.719 189 HE3 LYS 25 HE3 LYS 25 -1.761 -18.644 -7.946 190 HZ1 LYS 25 HZ1 LYS 25 0.722 -19.419 -8.986 191 HZ2 LYS 25 HZ2 LYS 25 0.623 -20.057 -7.491 192 HZ3 LYS 25 HZ3 LYS 25 -0.565 -20.341 -8.578 193 H GLU 26 H GLU 26 3.823 -16.159 -7.416 194 HA GLU 26 HA GLU 26 3.670 -15.019 -4.788 195 HB2 GLU 26 HB2 GLU 26 3.851 -17.587 -5.623 196 HB3 GLU 26 HB3 GLU 26 5.561 -17.261 -5.426 197 HG2 GLU 26 HG2 GLU 26 5.196 -16.547 -3.085 198 HG3 GLU 26 HG3 GLU 26 3.463 -16.736 -3.268 199 H ALA 27 H ALA 27 4.734 -12.989 -4.954 200 HA ALA 27 HA ALA 27 7.617 -13.217 -5.487 201 HB1 ALA 27 HB1 ALA 27 6.939 -10.563 -5.952 202 HB2 ALA 27 HB2 ALA 27 7.211 -11.802 -7.201 203 HB3 ALA 27 HB3 ALA 27 5.560 -11.457 -6.634 204 HA PRO 28 HA PRO 28 8.129 -11.437 -1.580 205 HB2 PRO 28 HB2 PRO 28 10.456 -10.028 -1.839 206 HB3 PRO 28 HB3 PRO 28 10.407 -11.766 -1.620 207 HG2 PRO 28 HG2 PRO 28 10.968 -10.223 -4.078 208 HG3 PRO 28 HG3 PRO 28 11.324 -11.904 -3.732 209 HD2 PRO 28 HD2 PRO 28 9.195 -10.903 -5.373 210 HD3 PRO 28 HD3 PRO 28 9.482 -12.575 -4.933 211 H PHE 29 H PHE 29 9.249 -9.053 -0.674 212 HA PHE 29 HA PHE 29 7.027 -7.330 -1.371 213 HB2 PHE 29 HB2 PHE 29 9.125 -7.663 0.777 214 HB3 PHE 29 HB3 PHE 29 8.594 -6.016 0.501 215 HD1 PHE 29 HD1 PHE 29 6.293 -5.351 0.991 216 HD2 PHE 29 HD2 PHE 29 7.630 -9.309 1.739 217 HE1 PHE 29 HE1 PHE 29 4.282 -5.758 2.436 218 HE2 PHE 29 HE2 PHE 29 5.619 -9.715 3.184 219 HZ PHE 29 HZ PHE 29 3.969 -7.935 3.515 220 H VAL 30 H VAL 30 10.219 -7.886 -2.437 221 HA VAL 30 HA VAL 30 11.375 -5.446 -2.701 222 HB VAL 30 HB VAL 30 11.437 -8.026 -4.071 223 HG11 VAL 30 HG11 VAL 30 12.851 -7.035 -5.982 224 HG12 VAL 30 HG12 VAL 30 11.080 -6.919 -6.114 225 HG13 VAL 30 HG13 VAL 30 12.030 -5.498 -5.616 226 HG21 VAL 30 HG21 VAL 30 13.266 -6.097 -2.780 227 HG22 VAL 30 HG22 VAL 30 13.263 -7.877 -2.752 228 HG23 VAL 30 HG23 VAL 30 13.972 -7.009 -4.135 229 HA PRO 31 HA PRO 31 8.656 -4.615 -6.480 230 HB2 PRO 31 HB2 PRO 31 6.544 -6.255 -7.045 231 HB3 PRO 31 HB3 PRO 31 8.115 -6.420 -7.804 232 HG2 PRO 31 HG2 PRO 31 6.895 -8.087 -5.689 233 HG3 PRO 31 HG3 PRO 31 8.242 -8.464 -6.744 234 HD2 PRO 31 HD2 PRO 31 8.386 -7.699 -3.983 235 HD3 PRO 31 HD3 PRO 31 9.736 -7.963 -5.069 236 H VAL 32 H VAL 32 7.284 -5.705 -3.544 237 HA VAL 32 HA VAL 32 4.872 -4.260 -3.757 238 HB VAL 32 HB VAL 32 6.449 -5.297 -1.396 239 HG11 VAL 32 HG11 VAL 32 5.095 -4.043 -0.124 240 HG12 VAL 32 HG12 VAL 32 4.059 -3.614 -1.506 241 HG13 VAL 32 HG13 VAL 32 3.785 -5.138 -0.628 242 HG21 VAL 32 HG21 VAL 32 5.634 -6.988 -3.045 243 HG22 VAL 32 HG22 VAL 32 4.921 -7.165 -1.423 244 HG23 VAL 32 HG23 VAL 32 3.972 -6.429 -2.737 245 H GLY 33 H GLY 33 8.093 -3.546 -2.261 246 HA2 GLY 33 HA2 GLY 33 7.320 -0.937 -1.392 247 HA3 GLY 33 HA3 GLY 33 8.935 -1.616 -1.439 248 H ILE 34 H ILE 34 9.083 -2.307 -4.239 249 HA ILE 34 HA ILE 34 9.966 0.099 -5.289 250 HB ILE 34 HB ILE 34 9.405 -2.626 -6.367 251 HG12 ILE 34 HG12 ILE 34 11.478 -1.962 -5.044 252 HG13 ILE 34 HG13 ILE 34 11.734 -2.784 -6.571 253 HG21 ILE 34 HG21 ILE 34 9.742 -0.135 -7.993 254 HG22 ILE 34 HG22 ILE 34 10.509 -1.644 -8.544 255 HG23 ILE 34 HG23 ILE 34 8.747 -1.579 -8.299 256 HD11 ILE 34 HD11 ILE 34 11.742 0.254 -6.321 257 HD12 ILE 34 HD12 ILE 34 13.211 -0.740 -6.174 258 HD13 ILE 34 HD13 ILE 34 12.299 -0.722 -7.702 259 H ALA 35 H ALA 35 7.109 -1.820 -6.465 260 HA ALA 35 HA ALA 35 6.065 0.347 -7.909 261 HB1 ALA 35 HB1 ALA 35 4.998 -1.453 -8.736 262 HB2 ALA 35 HB2 ALA 35 5.423 -2.430 -7.310 263 HB3 ALA 35 HB3 ALA 35 3.960 -1.418 -7.290 264 H GLY 36 H GLY 36 4.998 -1.164 -4.774 265 HA2 GLY 36 HA2 GLY 36 2.954 0.398 -4.041 266 HA3 GLY 36 HA3 GLY 36 4.179 -0.152 -2.915 267 H PHE 37 H PHE 37 6.437 1.258 -3.403 268 HA PHE 37 HA PHE 37 5.876 3.758 -2.334 269 HB2 PHE 37 HB2 PHE 37 8.039 2.457 -2.202 270 HB3 PHE 37 HB3 PHE 37 8.267 2.654 -3.928 271 HD1 PHE 37 HD2 PHE 37 7.988 4.589 -0.767 272 HD2 PHE 37 HD1 PHE 37 9.420 4.509 -4.761 273 HE1 PHE 37 HE2 PHE 37 9.251 6.719 -0.356 274 HE2 PHE 37 HE1 PHE 37 10.683 6.639 -4.350 275 HZ PHE 37 HZ PHE 37 10.583 7.718 -2.153 276 H ALA 38 H ALA 38 6.624 2.724 -5.718 277 HA ALA 38 HA ALA 38 6.858 5.223 -6.851 278 HB1 ALA 38 HB1 ALA 38 7.411 3.130 -7.995 279 HB2 ALA 38 HB2 ALA 38 5.698 2.647 -7.988 280 HB3 ALA 38 HB3 ALA 38 6.224 4.047 -8.953 281 H ALA 39 H ALA 39 3.877 3.137 -6.715 282 HA ALA 39 HA ALA 39 2.149 5.032 -7.734 283 HB1 ALA 39 HB1 ALA 39 0.435 3.645 -6.368 284 HB2 ALA 39 HB2 ALA 39 1.401 2.797 -7.600 285 HB3 ALA 39 HB3 ALA 39 1.834 2.660 -5.879 286 H ILE 40 H ILE 40 2.741 4.197 -4.240 287 HA ILE 40 HA ILE 40 1.179 6.006 -3.038 288 HB ILE 40 HB ILE 40 3.942 5.034 -2.375 289 HG12 ILE 40 HG12 ILE 40 2.014 3.451 -2.364 290 HG13 ILE 40 HG13 ILE 40 2.825 3.609 -0.818 291 HG21 ILE 40 HG21 ILE 40 3.882 7.161 -1.306 292 HG22 ILE 40 HG22 ILE 40 2.212 6.907 -0.747 293 HG23 ILE 40 HG23 ILE 40 3.537 5.934 -0.064 294 HD11 ILE 40 HD11 ILE 40 0.210 4.947 -1.645 295 HD12 ILE 40 HD12 ILE 40 0.422 3.664 -0.429 296 HD13 ILE 40 HD13 ILE 40 1.066 5.295 -0.124 297 H VAL 41 H VAL 41 4.483 6.672 -4.372 298 HA VAL 41 HA VAL 41 4.595 9.336 -3.645 299 HB VAL 41 HB VAL 41 5.772 7.788 -5.953 300 HG11 VAL 41 HG11 VAL 41 6.495 9.677 -6.889 301 HG12 VAL 41 HG12 VAL 41 5.649 10.633 -5.648 302 HG13 VAL 41 HG13 VAL 41 7.328 10.107 -5.376 303 HG21 VAL 41 HG21 VAL 41 7.586 7.378 -4.614 304 HG22 VAL 41 HG22 VAL 41 7.365 8.866 -3.662 305 HG23 VAL 41 HG23 VAL 41 6.318 7.457 -3.368 306 H ALA 42 H ALA 42 3.345 7.811 -6.690 307 HA ALA 42 HA ALA 42 2.660 10.138 -7.994 308 HB1 ALA 42 HB1 ALA 42 1.692 7.285 -8.023 309 HB2 ALA 42 HB2 ALA 42 0.828 8.511 -8.981 310 HB3 ALA 42 HB3 ALA 42 2.555 8.202 -9.281 311 H TYR 43 H TYR 43 0.508 8.022 -5.958 312 HA TYR 43 HA TYR 43 -1.754 9.475 -5.991 313 HB2 TYR 43 HB2 TYR 43 -0.258 7.641 -4.207 314 HB3 TYR 43 HB3 TYR 43 -1.245 8.736 -3.260 315 HD1 TYR 43 HD2 TYR 43 -3.750 8.832 -3.710 316 HD2 TYR 43 HD1 TYR 43 -1.222 5.795 -5.350 317 HE1 TYR 43 HE2 TYR 43 -5.781 7.368 -4.150 318 HE2 TYR 43 HE1 TYR 43 -3.262 4.341 -5.784 319 HH TYR 43 HH TYR 43 -5.982 5.125 -6.166 320 H GLY 44 H GLY 44 0.991 9.997 -3.663 321 HA2 GLY 44 HA2 GLY 44 -0.098 12.167 -2.315 322 HA3 GLY 44 HA3 GLY 44 1.609 11.812 -2.492 323 H LEU 45 H LEU 45 2.160 12.123 -5.170 324 HA LEU 45 HA LEU 45 2.443 14.823 -5.468 325 HB2 LEU 45 HB2 LEU 45 3.441 12.731 -6.707 326 HB3 LEU 45 HB3 LEU 45 2.170 13.060 -7.868 327 HG LEU 45 HG LEU 45 3.707 15.455 -7.150 328 HD11 LEU 45 HD11 LEU 45 5.576 14.466 -8.813 329 HD12 LEU 45 HD12 LEU 45 5.704 14.404 -7.038 330 HD13 LEU 45 HD13 LEU 45 5.136 12.978 -7.941 331 HD21 LEU 45 HD21 LEU 45 2.070 14.666 -9.199 332 HD22 LEU 45 HD22 LEU 45 3.166 16.068 -9.233 333 HD23 LEU 45 HD23 LEU 45 3.684 14.516 -9.934 334 H TYR 46 H TYR 46 -0.139 12.686 -6.845 335 HA TYR 46 HA TYR 46 -1.495 14.825 -8.100 336 HB2 TYR 46 HB2 TYR 46 -1.814 11.916 -7.375 337 HB3 TYR 46 HB3 TYR 46 -3.330 12.769 -7.589 338 HD1 TYR 46 HD2 TYR 46 -0.020 12.497 -9.355 339 HD2 TYR 46 HD1 TYR 46 -4.282 12.661 -9.696 340 HE1 TYR 46 HE2 TYR 46 0.163 12.202 -11.874 341 HE2 TYR 46 HE1 TYR 46 -4.084 12.366 -12.214 342 HH TYR 46 HH TYR 46 -1.693 11.154 -13.702 343 H LYS 47 H LYS 47 -1.844 13.142 -4.924 344 HA LYS 47 HA LYS 47 -4.232 14.279 -4.150 345 HB2 LYS 47 HB2 LYS 47 -2.921 12.405 -3.054 346 HB3 LYS 47 HB3 LYS 47 -1.910 13.632 -2.317 347 HG2 LYS 47 HG2 LYS 47 -3.450 13.810 -0.662 348 HG3 LYS 47 HG3 LYS 47 -4.545 14.526 -1.828 349 HD2 LYS 47 HD2 LYS 47 -5.221 12.133 -2.494 350 HD3 LYS 47 HD3 LYS 47 -4.304 11.571 -1.110 351 HE2 LYS 47 HE2 LYS 47 -5.839 13.567 0.044 352 HE3 LYS 47 HE3 LYS 47 -6.928 12.980 -1.197 353 HZ1 LYS 47 HZ1 LYS 47 -5.549 11.137 0.673 354 HZ2 LYS 47 HZ2 LYS 47 -7.019 11.759 0.994 355 HZ3 LYS 47 HZ3 LYS 47 -6.799 10.834 -0.338 356 H LEU 48 H LEU 48 -0.885 15.576 -4.052 357 HA LEU 48 HA LEU 48 -1.126 17.703 -2.436 358 HB2 LEU 48 HB2 LEU 48 0.567 16.869 -4.536 359 HB3 LEU 48 HB3 LEU 48 0.165 18.543 -4.864 360 HG LEU 48 HG LEU 48 1.287 17.539 -2.234 361 HD11 LEU 48 HD11 LEU 48 2.665 18.765 -4.631 362 HD12 LEU 48 HD12 LEU 48 3.387 18.701 -3.005 363 HD13 LEU 48 HD13 LEU 48 2.983 17.193 -3.859 364 HD21 LEU 48 HD21 LEU 48 0.159 19.507 -1.724 365 HD22 LEU 48 HD22 LEU 48 1.824 20.058 -2.030 366 HD23 LEU 48 HD23 LEU 48 0.573 20.270 -3.279 367 H LYS 49 H LYS 49 -2.071 17.694 -5.947 368 HA LYS 49 HA LYS 49 -3.221 20.264 -5.792 369 HB2 LYS 49 HB2 LYS 49 -2.352 18.837 -7.824 370 HB3 LYS 49 HB3 LYS 49 -3.995 18.232 -7.865 371 HG2 LYS 49 HG2 LYS 49 -4.191 21.069 -7.527 372 HG3 LYS 49 HG3 LYS 49 -2.981 20.803 -8.766 373 HD2 LYS 49 HD2 LYS 49 -4.735 19.091 -9.761 374 HD3 LYS 49 HD3 LYS 49 -5.890 19.943 -8.755 375 HE2 LYS 49 HE2 LYS 49 -6.072 21.464 -10.435 376 HE3 LYS 49 HE3 LYS 49 -4.473 22.026 -9.992 377 HZ1 LYS 49 HZ1 LYS 49 -3.881 19.891 -11.516 378 HZ2 LYS 49 HZ2 LYS 49 -5.250 20.384 -12.248 379 HZ3 LYS 49 HZ3 LYS 49 -4.007 21.431 -12.055 380 H SER 50 H SER 50 -5.240 20.944 -5.210 381 HA SER 50 HA SER 50 -6.822 19.155 -3.759 382 HB2 SER 50 HB2 SER 50 -7.561 21.912 -4.838 383 HB3 SER 50 HB3 SER 50 -8.378 21.066 -3.539 384 HG SER 50 HG SER 50 -5.615 21.306 -3.135 385 H ARG 51 H ARG 51 -7.429 20.954 -6.871 386 HA ARG 51 HA ARG 51 -9.824 19.795 -7.431 387 HB2 ARG 51 HB2 ARG 51 -7.604 20.880 -9.210 388 HB3 ARG 51 HB3 ARG 51 -9.086 20.265 -9.913 389 HG2 ARG 51 HG2 ARG 51 -9.549 22.123 -7.647 390 HG3 ARG 51 HG3 ARG 51 -8.694 22.865 -8.985 391 HD2 ARG 51 HD2 ARG 51 -10.471 22.148 -10.563 392 HD3 ARG 51 HD3 ARG 51 -11.305 21.299 -9.277 393 HE ARG 51 HE ARG 51 -11.167 23.806 -8.222 394 HH11 ARG 51 HH22 ARG 51 -12.127 22.713 -11.453 395 HH12 ARG 51 HH21 ARG 51 -13.216 24.034 -11.712 396 HH21 ARG 51 HH12 ARG 51 -12.585 25.518 -8.572 397 HH22 ARG 51 HH11 ARG 51 -13.474 25.640 -10.055 398 H GLY 52 H GLY 52 -10.167 17.576 -7.371 399 HA2 GLY 52 HA2 GLY 52 -9.620 15.826 -9.290 400 HA3 GLY 52 HA3 GLY 52 -8.116 15.775 -8.392 401 H ASN 53 H ASN 53 -10.063 13.595 -8.704 402 HA ASN 53 HA ASN 53 -11.853 13.208 -6.802 403 HB2 ASN 53 HB2 ASN 53 -9.865 11.439 -8.173 404 HB3 ASN 53 HB3 ASN 53 -10.564 10.758 -6.717 405 HD21 ASN 53 HD21 ASN 53 -11.264 12.181 -9.857 406 HD22 ASN 53 HD22 ASN 53 -12.826 11.472 -10.098 407 H THR 54 H THR 54 -11.880 12.933 -4.531 408 HA THR 54 HA THR 54 -9.708 11.988 -3.036 409 HB THR 54 HB THR 54 -8.684 14.170 -3.714 410 HG1 THR 54 HG1 THR 54 -8.303 14.738 -1.455 411 HG21 THR 54 HG21 THR 54 -10.454 15.744 -3.993 412 HG22 THR 54 HG22 THR 54 -11.267 15.225 -2.497 413 HG23 THR 54 HG23 THR 54 -9.773 16.189 -2.410 414 H LYS 55 H LYS 55 -10.106 12.253 -0.633 415 HA LYS 55 HA LYS 55 -12.566 13.212 0.278 416 HB2 LYS 55 HB2 LYS 55 -13.622 10.944 0.753 417 HB3 LYS 55 HB3 LYS 55 -13.731 11.544 -0.890 418 HG2 LYS 55 HG2 LYS 55 -11.724 10.160 -1.510 419 HG3 LYS 55 HG3 LYS 55 -11.664 9.535 0.126 420 HD2 LYS 55 HD2 LYS 55 -14.194 8.869 -0.319 421 HD3 LYS 55 HD3 LYS 55 -13.760 9.044 -2.007 422 HE2 LYS 55 HE2 LYS 55 -11.973 7.396 -0.202 423 HE3 LYS 55 HE3 LYS 55 -13.475 6.698 -0.774 424 HZ1 LYS 55 HZ1 LYS 55 -11.194 6.677 -2.190 425 HZ2 LYS 55 HZ2 LYS 55 -12.665 6.557 -2.879 426 HZ3 LYS 55 HZ3 LYS 55 -11.927 8.014 -2.783 427 H MET 56 H MET 56 -10.548 13.967 1.498 428 HA MET 56 HA MET 56 -10.546 12.736 3.967 429 HB2 MET 56 HB2 MET 56 -8.894 11.365 2.138 430 HB3 MET 56 HB3 MET 56 -7.761 12.406 2.978 431 HG2 MET 56 HG2 MET 56 -8.185 11.409 5.079 432 HG3 MET 56 HG3 MET 56 -9.774 10.841 4.610 433 HE1 MET 56 HE1 MET 56 -9.676 7.924 4.714 434 HE2 MET 56 HE2 MET 56 -8.039 7.576 5.319 435 HE3 MET 56 HE3 MET 56 -8.946 8.969 5.956 436 H SER 57 H SER 57 -8.190 14.368 1.720 437 HA SER 57 HA SER 57 -7.195 16.296 1.818 438 HB2 SER 57 HB2 SER 57 -8.990 17.693 2.138 439 HB3 SER 57 HB3 SER 57 -9.580 16.799 3.525 440 HG SER 57 HG SER 57 -8.827 18.878 4.183 441 H ILE 58 H ILE 58 -8.153 15.850 5.307 442 HA ILE 58 HA ILE 58 -6.918 15.974 7.154 443 HB ILE 58 HB ILE 58 -5.312 14.019 5.510 444 HG12 ILE 58 HG12 ILE 58 -7.733 13.507 5.852 445 HG13 ILE 58 HG13 ILE 58 -6.637 12.314 6.521 446 HG21 ILE 58 HG21 ILE 58 -5.171 13.537 8.338 447 HG22 ILE 58 HG22 ILE 58 -3.856 13.799 7.167 448 HG23 ILE 58 HG23 ILE 58 -4.610 15.189 7.984 449 HD11 ILE 58 HD11 ILE 58 -7.464 12.631 8.606 450 HD12 ILE 58 HD12 ILE 58 -7.172 14.384 8.505 451 HD13 ILE 58 HD13 ILE 58 -8.696 13.698 7.890 452 H HIS 59 H HIS 59 -6.549 18.319 6.078 453 HA HIS 59 HA HIS 59 -4.091 18.983 5.054 454 HB2 HIS 59 HB2 HIS 59 -6.320 20.335 5.459 455 HB3 HIS 59 HB3 HIS 59 -5.519 20.834 6.936 456 HD1 HIS 59 HD1 HIS 59 -6.163 22.890 4.708 457 HD2 HIS 59 HD2 HIS 59 -2.495 20.890 5.080 458 HE1 HIS 59 HE1 HIS 59 -4.436 24.336 3.510 459 H LEU 60 H LEU 60 -2.058 18.833 5.848 460 HA LEU 60 HA LEU 60 -1.386 19.675 8.428 461 HB2 LEU 60 HB2 LEU 60 -1.143 17.796 9.681 462 HB3 LEU 60 HB3 LEU 60 -2.616 17.424 8.808 463 HG LEU 60 HG LEU 60 0.141 16.425 8.039 464 HD11 LEU 60 HD11 LEU 60 -1.450 14.263 8.822 465 HD12 LEU 60 HD12 LEU 60 -0.063 14.959 9.695 466 HD13 LEU 60 HD13 LEU 60 -1.715 15.509 10.066 467 HD21 LEU 60 HD21 LEU 60 -2.400 15.196 7.056 468 HD22 LEU 60 HD22 LEU 60 -1.833 16.708 6.308 469 HD23 LEU 60 HD23 LEU 60 -0.790 15.267 6.301 470 H ILE 61 H ILE 61 0.798 20.118 8.484 471 HA ILE 61 HA ILE 61 2.680 20.664 7.361 472 HB ILE 61 HB ILE 61 4.174 18.655 7.215 473 HG12 ILE 61 HG12 ILE 61 1.983 17.046 8.484 474 HG13 ILE 61 HG13 ILE 61 2.054 17.156 6.737 475 HG21 ILE 61 HG21 ILE 61 3.778 20.091 9.261 476 HG22 ILE 61 HG22 ILE 61 2.666 18.823 9.829 477 HG23 ILE 61 HG23 ILE 61 4.385 18.445 9.563 478 HD11 ILE 61 HD11 ILE 61 4.706 16.653 7.922 479 HD12 ILE 61 HD12 ILE 61 3.522 15.385 8.318 480 HD13 ILE 61 HD13 ILE 61 3.864 15.783 6.617 481 H HIS 62 H HIS 62 1.806 21.569 5.408 482 HA HIS 62 HA HIS 62 0.881 20.313 3.243 483 HB2 HIS 62 HB2 HIS 62 1.492 22.832 3.768 484 HB3 HIS 62 HB3 HIS 62 2.926 22.467 2.828 485 HD1 HIS 62 HD1 HIS 62 1.045 24.525 1.673 486 HD2 HIS 62 HD2 HIS 62 0.649 20.421 0.900 487 HE1 HIS 62 HE1 HIS 62 -0.274 24.332 -0.503 488 H MET 63 H MET 63 4.200 20.232 4.478 489 HA MET 63 HA MET 63 5.717 19.610 2.424 490 HB2 MET 63 HB2 MET 63 5.467 18.225 5.140 491 HB3 MET 63 HB3 MET 63 6.772 17.826 4.041 492 HG2 MET 63 HG2 MET 63 7.877 19.813 4.413 493 HG3 MET 63 HG3 MET 63 6.397 20.751 4.451 494 HE1 MET 63 HE1 MET 63 9.301 19.921 6.580 495 HE2 MET 63 HE2 MET 63 8.676 18.928 7.918 496 HE3 MET 63 HE3 MET 63 8.681 18.284 6.259 497 H ARG 64 H ARG 64 3.477 17.252 4.036 498 HA ARG 64 HA ARG 64 2.374 15.577 3.177 499 HB2 ARG 64 HB2 ARG 64 3.061 16.930 0.809 500 HB3 ARG 64 HB3 ARG 64 3.666 15.310 0.526 501 HG2 ARG 64 HG2 ARG 64 1.548 14.691 0.002 502 HG3 ARG 64 HG3 ARG 64 1.132 14.890 1.693 503 HD2 ARG 64 HD2 ARG 64 0.424 17.189 1.346 504 HD3 ARG 64 HD3 ARG 64 1.116 17.230 -0.264 505 HE ARG 64 HE ARG 64 -0.657 15.174 -0.519 506 HH11 ARG 64 HH22 ARG 64 -1.047 18.411 0.869 507 HH12 ARG 64 HH21 ARG 64 -2.732 18.510 0.480 508 HH21 ARG 64 HH12 ARG 64 -2.845 15.316 -1.019 509 HH22 ARG 64 HH11 ARG 64 -3.757 16.731 -0.604 510 H VAL 65 H VAL 65 5.698 15.604 1.674 511 HA VAL 65 HA VAL 65 6.257 12.986 1.612 512 HB VAL 65 HB VAL 65 8.626 13.663 2.098 513 HG11 VAL 65 HG11 VAL 65 7.412 15.619 0.157 514 HG12 VAL 65 HG12 VAL 65 8.900 14.652 0.012 515 HG13 VAL 65 HG13 VAL 65 7.310 13.868 -0.148 516 HG21 VAL 65 HG21 VAL 65 8.885 16.262 2.109 517 HG22 VAL 65 HG22 VAL 65 7.237 16.246 2.780 518 HG23 VAL 65 HG23 VAL 65 8.554 15.407 3.635 519 H ALA 66 H ALA 66 6.590 15.120 4.527 520 HA ALA 66 HA ALA 66 7.574 13.273 6.280 521 HB1 ALA 66 HB1 ALA 66 6.021 14.710 7.920 522 HB2 ALA 66 HB2 ALA 66 7.469 15.405 7.152 523 HB3 ALA 66 HB3 ALA 66 5.857 15.725 6.467 524 H ALA 67 H ALA 67 4.072 14.020 5.633 525 HA ALA 67 HA ALA 67 2.996 12.120 7.293 526 HB1 ALA 67 HB1 ALA 67 1.427 12.291 4.898 527 HB2 ALA 67 HB2 ALA 67 1.163 13.111 6.456 528 HB3 ALA 67 HB3 ALA 67 2.155 13.887 5.199 529 H GLN 68 H GLN 68 4.507 11.784 4.078 530 HA GLN 68 HA GLN 68 3.534 9.205 3.604 531 HB2 GLN 68 HB2 GLN 68 4.649 10.965 1.995 532 HB3 GLN 68 HB3 GLN 68 6.161 10.239 2.502 533 HG2 GLN 68 HG2 GLN 68 5.263 7.977 1.823 534 HG3 GLN 68 HG3 GLN 68 3.805 8.756 1.242 535 HE21 GLN 68 HE21 GLN 68 7.225 8.288 0.780 536 HE22 GLN 68 HE22 GLN 68 7.349 8.896 -0.837 537 H GLY 69 H GLY 69 6.427 10.526 5.265 538 HA2 GLY 69 HA2 GLY 69 7.850 8.106 5.513 539 HA3 GLY 69 HA3 GLY 69 8.036 9.547 6.493 540 H PHE 70 H PHE 70 5.510 9.818 7.702 541 HA PHE 70 HA PHE 70 5.726 8.017 9.807 542 HB2 PHE 70 HB2 PHE 70 4.546 10.401 9.407 543 HB3 PHE 70 HB3 PHE 70 3.154 9.435 8.961 544 HD1 PHE 70 HD2 PHE 70 5.451 10.263 11.723 545 HD2 PHE 70 HD1 PHE 70 1.838 8.332 10.616 546 HE1 PHE 70 HE2 PHE 70 4.822 10.053 14.144 547 HE2 PHE 70 HE1 PHE 70 1.209 8.122 13.037 548 HZ PHE 70 HZ PHE 70 2.708 8.985 14.772 549 H VAL 71 H VAL 71 3.332 8.181 7.079 550 HA VAL 71 HA VAL 71 1.859 5.957 7.883 551 HB VAL 71 HB VAL 71 2.331 7.164 5.151 552 HG11 VAL 71 HG11 VAL 71 0.871 5.725 4.230 553 HG12 VAL 71 HG12 VAL 71 1.185 4.708 5.657 554 HG13 VAL 71 HG13 VAL 71 -0.224 5.795 5.632 555 HG21 VAL 71 HG21 VAL 71 -0.264 7.697 6.256 556 HG22 VAL 71 HG22 VAL 71 0.978 8.157 7.446 557 HG23 VAL 71 HG23 VAL 71 1.020 8.844 5.804 558 H VAL 72 H VAL 72 4.892 6.311 6.025 559 HA VAL 72 HA VAL 72 4.973 3.715 4.997 560 HB VAL 72 HB VAL 72 6.945 5.893 5.558 561 HG11 VAL 72 HG11 VAL 72 8.235 3.948 6.144 562 HG12 VAL 72 HG12 VAL 72 7.658 3.068 4.708 563 HG13 VAL 72 HG13 VAL 72 8.733 4.474 4.518 564 HG21 VAL 72 HG21 VAL 72 6.462 4.442 2.956 565 HG22 VAL 72 HG22 VAL 72 5.354 5.715 3.522 566 HG23 VAL 72 HG23 VAL 72 7.069 6.093 3.230 567 H GLY 73 H GLY 73 6.227 5.149 8.074 568 HA2 GLY 73 HA2 GLY 73 7.503 2.872 9.052 569 HA3 GLY 73 HA3 GLY 73 6.852 4.190 10.006 570 H ALA 74 H ALA 74 4.108 4.073 9.569 571 HA ALA 74 HA ALA 74 3.372 1.937 11.232 572 HB1 ALA 74 HB1 ALA 74 1.615 3.675 9.455 573 HB2 ALA 74 HB2 ALA 74 1.122 2.796 10.922 574 HB3 ALA 74 HB3 ALA 74 2.243 4.173 11.044 575 H MET 75 H MET 75 3.575 2.361 7.710 576 HA MET 75 HA MET 75 1.910 0.188 7.091 577 HB2 MET 75 HB2 MET 75 2.643 2.143 5.574 578 HB3 MET 75 HB3 MET 75 4.212 1.373 5.445 579 HG2 MET 75 HG2 MET 75 2.997 0.638 3.514 580 HG3 MET 75 HG3 MET 75 2.984 -0.732 4.607 581 HE1 MET 75 HE1 MET 75 -0.340 -1.325 3.192 582 HE2 MET 75 HE2 MET 75 1.389 -1.719 3.342 583 HE3 MET 75 HE3 MET 75 0.290 -2.003 4.713 584 H THR 76 H THR 76 5.485 0.596 7.448 585 HA THR 76 HA THR 76 6.165 -2.003 6.637 586 HB THR 76 HB THR 76 8.330 -1.406 7.758 587 HG1 THR 76 HG1 THR 76 7.818 -0.209 9.572 588 HG21 THR 76 HG21 THR 76 6.876 0.505 5.968 589 HG22 THR 76 HG22 THR 76 8.254 1.194 6.860 590 HG23 THR 76 HG23 THR 76 8.499 -0.203 5.783 591 H VAL 77 H VAL 77 5.630 -0.628 9.947 592 HA VAL 77 HA VAL 77 6.083 -3.041 11.269 593 HB VAL 77 HB VAL 77 4.905 -1.950 13.133 594 HG11 VAL 77 HG11 VAL 77 7.140 -0.769 11.617 595 HG12 VAL 77 HG12 VAL 77 6.352 0.353 12.753 596 HG13 VAL 77 HG13 VAL 77 7.015 -1.191 13.342 597 HG21 VAL 77 HG21 VAL 77 3.101 -0.777 12.249 598 HG22 VAL 77 HG22 VAL 77 4.244 0.527 12.650 599 HG23 VAL 77 HG23 VAL 77 4.081 -0.026 10.966 600 H GLY 78 H GLY 78 3.022 -1.486 10.101 601 HA2 GLY 78 HA2 GLY 78 1.218 -3.364 11.011 602 HA3 GLY 78 HA3 GLY 78 1.030 -2.381 9.573 603 H MET 79 H MET 79 3.114 -3.318 7.915 604 HA MET 79 HA MET 79 1.926 -5.609 6.893 605 HB2 MET 79 HB2 MET 79 4.461 -4.022 6.405 606 HB3 MET 79 HB3 MET 79 4.340 -5.597 5.646 607 HG2 MET 79 HG2 MET 79 2.261 -3.371 5.367 608 HG3 MET 79 HG3 MET 79 3.493 -3.738 4.176 609 HE1 MET 79 HE1 MET 79 0.596 -3.691 3.211 610 HE2 MET 79 HE2 MET 79 1.973 -4.226 2.218 611 HE3 MET 79 HE3 MET 79 0.494 -5.215 2.297 612 H GLY 80 H GLY 80 5.041 -5.117 8.690 613 HA2 GLY 80 HA2 GLY 80 6.054 -7.660 8.631 614 HA3 GLY 80 HA3 GLY 80 6.242 -6.535 9.961 615 H TYR 81 H TYR 81 3.509 -6.299 10.819 616 HA TYR 81 HA TYR 81 3.291 -8.805 12.226 617 HB2 TYR 81 HB2 TYR 81 2.210 -5.979 12.238 618 HB3 TYR 81 HB3 TYR 81 1.138 -7.187 12.919 619 HD1 TYR 81 HD2 TYR 81 2.040 -8.663 14.826 620 HD2 TYR 81 HD1 TYR 81 3.987 -5.088 13.511 621 HE1 TYR 81 HE2 TYR 81 3.301 -8.531 17.030 622 HE2 TYR 81 HE1 TYR 81 5.242 -4.968 15.719 623 HH TYR 81 HH TYR 81 5.578 -5.868 17.646 624 H SER 82 H SER 82 1.931 -7.304 9.380 625 HA SER 82 HA SER 82 0.114 -7.695 8.200 626 HB2 SER 82 HB2 SER 82 1.382 -10.385 8.704 627 HB3 SER 82 HB3 SER 82 -0.114 -10.330 7.794 628 HG SER 82 HG SER 82 2.456 -9.275 7.124 629 H MET 83 H MET 83 -1.386 -6.856 9.901 630 HA MET 83 HA MET 83 -3.082 -6.972 11.270 631 HB2 MET 83 HB2 MET 83 -3.521 -9.125 9.217 632 HB3 MET 83 HB3 MET 83 -4.580 -9.201 10.612 633 HG2 MET 83 HG2 MET 83 -4.455 -6.443 9.801 634 HG3 MET 83 HG3 MET 83 -4.707 -7.393 8.350 635 HE1 MET 83 HE1 MET 83 -6.325 -5.278 10.095 636 HE2 MET 83 HE2 MET 83 -7.933 -5.860 10.589 637 HE3 MET 83 HE3 MET 83 -6.538 -6.070 11.674 638 H TYR 84 H TYR 84 -1.146 -7.654 12.844 639 HA TYR 84 HA TYR 84 -0.466 -8.836 14.594 640 HB2 TYR 84 HB2 TYR 84 -3.441 -9.570 14.347 641 HB3 TYR 84 HB3 TYR 84 -2.490 -10.132 15.707 642 HD1 TYR 84 HD2 TYR 84 -3.895 -7.136 14.054 643 HD2 TYR 84 HD1 TYR 84 -1.881 -8.652 17.512 644 HE1 TYR 84 HE2 TYR 84 -4.354 -4.959 15.285 645 HE2 TYR 84 HE1 TYR 84 -2.347 -6.470 18.731 646 HH TYR 84 HH TYR 84 -4.291 -4.620 18.429 647 H ARG 85 H ARG 85 1.035 -10.374 14.075 648 HA ARG 85 HA ARG 85 0.882 -12.343 12.349 649 HB2 ARG 85 HB2 ARG 85 2.477 -11.765 14.693 650 HB3 ARG 85 HB3 ARG 85 2.173 -13.491 14.668 651 HG2 ARG 85 HG2 ARG 85 2.837 -12.491 11.985 652 HG3 ARG 85 HG3 ARG 85 4.094 -12.091 13.139 653 HD2 ARG 85 HD2 ARG 85 3.123 -14.853 13.498 654 HD3 ARG 85 HD3 ARG 85 3.725 -14.582 11.875 655 HE ARG 85 HE ARG 85 5.666 -13.420 13.488 656 HH11 ARG 85 HH22 ARG 85 4.198 -16.641 13.328 657 HH12 ARG 85 HH21 ARG 85 5.609 -17.450 13.924 658 HH21 ARG 85 HH12 ARG 85 7.493 -14.483 14.261 659 HH22 ARG 85 HH11 ARG 85 7.496 -16.205 14.458 660 H GLU 86 H GLU 86 0.123 -14.521 12.216 661 HA GLU 86 HA GLU 86 -1.073 -16.280 12.668 662 HB2 GLU 86 HB2 GLU 86 -0.242 -15.431 15.362 663 HB3 GLU 86 HB3 GLU 86 -1.768 -16.293 15.387 664 HG2 GLU 86 HG2 GLU 86 0.546 -17.398 13.769 665 HG3 GLU 86 HG3 GLU 86 0.512 -17.640 15.505 666 H PHE 87 H PHE 87 -2.370 -14.037 11.662 667 HA PHE 87 HA PHE 87 -4.610 -13.274 13.182 668 HB2 PHE 87 HB2 PHE 87 -5.245 -12.218 11.055 669 HB3 PHE 87 HB3 PHE 87 -3.499 -12.116 11.166 670 HD1 PHE 87 HD1 PHE 87 -6.233 -14.149 9.682 671 HD2 PHE 87 HD2 PHE 87 -2.154 -12.999 9.469 672 HE1 PHE 87 HE1 PHE 87 -6.025 -15.300 7.461 673 HE2 PHE 87 HE2 PHE 87 -1.945 -14.149 7.247 674 HZ PHE 87 HZ PHE 87 -3.883 -15.286 6.270 675 H TRP 88 H TRP 88 -6.676 -14.109 13.337 676 HA TRP 88 HA TRP 88 -7.149 -16.759 12.943 677 HB2 TRP 88 HB2 TRP 88 -8.540 -14.597 13.940 678 HB3 TRP 88 HB3 TRP 88 -9.531 -15.095 12.583 679 HD1 TRP 88 HD1 TRP 88 -7.977 -16.730 15.773 680 HE1 TRP 88 HE1 TRP 88 -9.521 -18.677 16.661 681 HE3 TRP 88 HE3 TRP 88 -11.345 -16.501 11.971 682 HZ2 TRP 88 HZ2 TRP 88 -11.924 -19.875 15.695 683 HZ3 TRP 88 HZ3 TRP 88 -13.261 -18.095 12.019 684 HH2 TRP 88 HH2 TRP 88 -13.580 -19.741 13.798 685 H ALA 89 H ALA 89 -8.713 -14.185 10.905 686 HA ALA 89 HA ALA 89 -7.833 -15.409 8.485 687 HB1 ALA 89 HB1 ALA 89 -10.738 -15.714 9.346 688 HB2 ALA 89 HB2 ALA 89 -10.127 -16.022 7.703 689 HB3 ALA 89 HB3 ALA 89 -9.568 -17.025 9.063 690 H LYS 90 H LYS 90 -9.252 -14.295 6.586 691 HA LYS 90 HA LYS 90 -8.878 -11.514 7.009 692 HB2 LYS 90 HB2 LYS 90 -9.371 -11.286 4.701 693 HB3 LYS 90 HB3 LYS 90 -8.451 -12.767 4.871 694 HG2 LYS 90 HG2 LYS 90 -11.267 -13.384 5.197 695 HG3 LYS 90 HG3 LYS 90 -11.069 -12.435 3.738 696 HD2 LYS 90 HD2 LYS 90 -9.729 -14.044 2.693 697 HD3 LYS 90 HD3 LYS 90 -9.102 -14.667 4.206 698 HE2 LYS 90 HE2 LYS 90 -10.583 -16.379 3.943 699 HE3 LYS 90 HE3 LYS 90 -11.818 -15.238 4.436 700 HZ1 LYS 90 HZ1 LYS 90 -11.092 -15.108 1.626 701 HZ2 LYS 90 HZ2 LYS 90 -11.837 -16.487 2.071 702 HZ3 LYS 90 HZ3 LYS 90 -12.550 -15.044 2.367 703 HA PRO 91 HA PRO 91 -12.862 -10.398 8.231 704 HB2 PRO 91 HB2 PRO 91 -13.053 -7.833 7.307 705 HB3 PRO 91 HB3 PRO 91 -12.189 -8.263 8.769 706 HG2 PRO 91 HG2 PRO 91 -11.100 -7.531 6.120 707 HG3 PRO 91 HG3 PRO 91 -10.290 -7.547 7.673 708 HD2 PRO 91 HD2 PRO 91 -10.034 -9.496 5.585 709 HD3 PRO 91 HD3 PRO 91 -9.315 -9.570 7.181 710 H LYS 92 H LYS 92 -13.254 -12.185 6.393 711 HA LYS 92 HA LYS 92 -15.670 -11.379 5.252 712 HB2 LYS 92 HB2 LYS 92 -14.255 -10.038 3.756 713 HB3 LYS 92 HB3 LYS 92 -13.356 -11.468 3.293 714 HG2 LYS 92 HG2 LYS 92 -14.881 -11.686 1.614 715 HG3 LYS 92 HG3 LYS 92 -15.967 -12.294 2.847 716 HD2 LYS 92 HD2 LYS 92 -16.532 -9.756 3.277 717 HD3 LYS 92 HD3 LYS 92 -15.799 -9.484 1.709 718 HE2 LYS 92 HE2 LYS 92 -17.502 -10.571 0.558 719 HE3 LYS 92 HE3 LYS 92 -17.801 -11.713 1.852 720 HZ1 LYS 92 HZ1 LYS 92 -19.613 -10.344 2.091 721 HZ2 LYS 92 HZ2 LYS 92 -18.604 -9.512 3.060 722 HZ3 LYS 92 HZ3 LYS 92 -18.818 -9.037 1.509 723 HA PRO 93 HA PRO 93 -15.114 -15.771 5.695 724 HB2 PRO 93 HB2 PRO 93 -17.578 -16.287 6.756 725 HB3 PRO 93 HB3 PRO 93 -16.169 -15.932 7.735 726 HG2 PRO 93 HG2 PRO 93 -18.473 -14.191 7.106 727 HG3 PRO 93 HG3 PRO 93 -17.293 -14.028 8.391 728 HD2 PRO 93 HD2 PRO 93 -17.393 -12.523 5.952 729 HD3 PRO 93 HD3 PRO 93 -16.149 -12.442 7.183 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -0.839 -17.295 2.471 2 HA MET 1 HA MET 1 0.676 -19.011 1.142 3 HB2 MET 1 HB2 MET 1 0.619 -19.767 3.967 4 HB3 MET 1 HB3 MET 1 -0.163 -21.023 3.027 5 HG2 MET 1 HG2 MET 1 1.947 -20.771 1.431 6 HG3 MET 1 HG3 MET 1 2.689 -20.013 2.825 7 HE1 MET 1 HE1 MET 1 4.449 -22.853 2.591 8 HE2 MET 1 HE2 MET 1 3.263 -23.955 1.851 9 HE3 MET 1 HE3 MET 1 3.472 -22.309 1.205 10 H SER 2 H SER 2 -2.155 -19.324 3.408 11 HA SER 2 HA SER 2 -3.810 -19.704 1.073 12 HB2 SER 2 HB2 SER 2 -3.005 -21.963 2.209 13 HB3 SER 2 HB3 SER 2 -4.212 -21.571 3.418 14 HG SER 2 HG SER 2 -5.770 -22.141 2.064 15 H THR 3 H THR 3 -4.498 -17.507 1.656 16 HA THR 3 HA THR 3 -6.563 -17.560 3.698 17 HB THR 3 HB THR 3 -5.629 -15.484 4.761 18 HG1 THR 3 HG1 THR 3 -3.318 -15.095 4.034 19 HG21 THR 3 HG21 THR 3 -4.904 -17.764 5.662 20 HG22 THR 3 HG22 THR 3 -3.481 -17.660 4.598 21 HG23 THR 3 HG23 THR 3 -3.702 -16.474 5.907 22 H ASP 4 H ASP 4 -7.902 -17.574 1.783 23 HA ASP 4 HA ASP 4 -8.677 -14.990 1.116 24 HB2 ASP 4 HB2 ASP 4 -8.259 -15.492 -1.478 25 HB3 ASP 4 HB3 ASP 4 -7.053 -14.671 -0.507 26 H THR 5 H THR 5 -10.516 -15.134 -0.634 27 HA THR 5 HA THR 5 -11.547 -17.859 -0.920 28 HB THR 5 HB THR 5 -12.939 -15.475 0.395 29 HG1 THR 5 HG1 THR 5 -11.993 -16.768 1.965 30 HG21 THR 5 HG21 THR 5 -14.981 -16.755 0.421 31 HG22 THR 5 HG22 THR 5 -14.429 -16.812 -1.270 32 HG23 THR 5 HG23 THR 5 -14.161 -18.208 -0.198 33 H GLY 6 H GLY 6 -12.407 -14.401 -1.626 34 HA2 GLY 6 HA2 GLY 6 -11.960 -13.941 -4.098 35 HA3 GLY 6 HA3 GLY 6 -13.067 -15.273 -4.365 36 H VAL 7 H VAL 7 -13.100 -12.602 -1.903 37 HA VAL 7 HA VAL 7 -15.597 -11.670 -3.122 38 HB VAL 7 HB VAL 7 -15.086 -12.193 -0.187 39 HG11 VAL 7 HG11 VAL 7 -17.641 -11.576 -0.148 40 HG12 VAL 7 HG12 VAL 7 -16.406 -10.295 -0.107 41 HG13 VAL 7 HG13 VAL 7 -17.242 -10.678 -1.632 42 HG21 VAL 7 HG21 VAL 7 -16.754 -13.575 -2.287 43 HG22 VAL 7 HG22 VAL 7 -15.611 -14.273 -1.115 44 HG23 VAL 7 HG23 VAL 7 -17.190 -13.664 -0.564 45 H SER 8 H SER 8 -13.486 -10.387 -3.966 46 HA SER 8 HA SER 8 -12.909 -8.290 -2.048 47 HB2 SER 8 HB2 SER 8 -11.421 -7.830 -4.406 48 HB3 SER 8 HB3 SER 8 -10.827 -8.491 -2.895 49 HG SER 8 HG SER 8 -11.892 -9.975 -5.142 50 H LEU 9 H LEU 9 -13.788 -8.737 -5.553 51 HA LEU 9 HA LEU 9 -14.989 -7.513 -6.940 52 HB2 LEU 9 HB2 LEU 9 -16.220 -6.814 -4.314 53 HB3 LEU 9 HB3 LEU 9 -16.678 -5.877 -5.723 54 HG LEU 9 HG LEU 9 -16.797 -8.684 -6.370 55 HD11 LEU 9 HD11 LEU 9 -18.692 -8.008 -4.134 56 HD12 LEU 9 HD12 LEU 9 -18.254 -9.595 -4.812 57 HD13 LEU 9 HD13 LEU 9 -17.092 -8.711 -3.794 58 HD21 LEU 9 HD21 LEU 9 -18.536 -6.279 -6.454 59 HD22 LEU 9 HD22 LEU 9 -18.142 -7.466 -7.721 60 HD23 LEU 9 HD23 LEU 9 -19.351 -7.860 -6.475 61 HA PRO 10 HA PRO 10 -12.118 -4.038 -6.339 62 HB2 PRO 10 HB2 PRO 10 -10.356 -4.622 -8.345 63 HB3 PRO 10 HB3 PRO 10 -10.096 -5.086 -6.675 64 HG2 PRO 10 HG2 PRO 10 -10.919 -6.771 -8.960 65 HG3 PRO 10 HG3 PRO 10 -10.251 -7.264 -7.417 66 HD2 PRO 10 HD2 PRO 10 -12.998 -7.425 -8.228 67 HD3 PRO 10 HD3 PRO 10 -12.347 -7.809 -6.646 68 H SER 11 H SER 11 -13.822 -2.660 -6.877 69 HA SER 11 HA SER 11 -14.896 -1.294 -8.176 70 HB2 SER 11 HB2 SER 11 -12.652 -1.737 -10.195 71 HB3 SER 11 HB3 SER 11 -13.774 -0.390 -10.192 72 HG SER 11 HG SER 11 -12.171 0.520 -9.055 73 H TYR 12 H TYR 12 -16.292 -1.124 -10.173 74 HA TYR 12 HA TYR 12 -17.487 -3.559 -10.777 75 HB2 TYR 12 HB2 TYR 12 -17.417 -0.692 -11.772 76 HB3 TYR 12 HB3 TYR 12 -18.188 -1.853 -12.833 77 HD1 TYR 12 HD1 TYR 12 -18.250 -0.680 -9.274 78 HD2 TYR 12 HD2 TYR 12 -20.450 -2.360 -12.537 79 HE1 TYR 12 HE1 TYR 12 -20.402 -0.485 -7.933 80 HE2 TYR 12 HE2 TYR 12 -22.594 -2.160 -11.185 81 HH TYR 12 HH TYR 12 -22.513 -1.162 -7.814 82 H GLU 13 H GLU 13 -15.170 -1.531 -12.692 83 HA GLU 13 HA GLU 13 -14.926 -3.812 -14.489 84 HB2 GLU 13 HB2 GLU 13 -14.112 -2.226 -16.175 85 HB3 GLU 13 HB3 GLU 13 -15.658 -1.687 -15.550 86 HG2 GLU 13 HG2 GLU 13 -14.436 -0.152 -13.954 87 HG3 GLU 13 HG3 GLU 13 -12.919 -0.647 -14.680 88 H GLU 14 H GLU 14 -12.825 -4.622 -15.036 89 HA GLU 14 HA GLU 14 -10.489 -3.400 -14.166 90 HB2 GLU 14 HB2 GLU 14 -11.772 -4.522 -12.009 91 HB3 GLU 14 HB3 GLU 14 -10.783 -5.872 -12.528 92 HG2 GLU 14 HG2 GLU 14 -9.093 -3.576 -12.668 93 HG3 GLU 14 HG3 GLU 14 -9.973 -3.427 -11.159 94 H ASP 15 H ASP 15 -8.571 -5.126 -14.275 95 HA ASP 15 HA ASP 15 -9.173 -6.686 -16.629 96 HB2 ASP 15 HB2 ASP 15 -6.604 -6.949 -16.638 97 HB3 ASP 15 HB3 ASP 15 -7.236 -5.340 -16.930 98 H GLN 16 H GLN 16 -10.197 -8.567 -15.673 99 HA GLN 16 HA GLN 16 -10.413 -10.361 -14.427 100 HB2 GLN 16 HB2 GLN 16 -7.605 -10.607 -15.547 101 HB3 GLN 16 HB3 GLN 16 -8.298 -11.902 -14.591 102 HG2 GLN 16 HG2 GLN 16 -10.032 -12.318 -16.163 103 HG3 GLN 16 HG3 GLN 16 -9.881 -10.734 -16.898 104 HE21 GLN 16 HE21 GLN 16 -9.957 -12.536 -18.680 105 HE22 GLN 16 HE22 GLN 16 -8.422 -12.985 -19.344 106 H GLY 17 H GLY 17 -10.739 -9.505 -12.313 107 HA2 GLY 17 HA2 GLY 17 -9.054 -8.424 -10.545 108 HA3 GLY 17 HA3 GLY 17 -10.291 -9.578 -10.088 109 H SER 18 H SER 18 -9.506 -12.027 -10.864 110 HA SER 18 HA SER 18 -7.727 -12.831 -9.048 111 HB2 SER 18 HB2 SER 18 -8.626 -13.940 -11.691 112 HB3 SER 18 HB3 SER 18 -7.263 -14.727 -10.922 113 HG SER 18 HG SER 18 -8.517 -15.271 -9.143 114 H LYS 19 H LYS 19 -7.011 -11.974 -12.503 115 HA LYS 19 HA LYS 19 -4.300 -12.529 -12.437 116 HB2 LYS 19 HB2 LYS 19 -6.116 -10.858 -14.117 117 HB3 LYS 19 HB3 LYS 19 -4.394 -10.568 -14.262 118 HG2 LYS 19 HG2 LYS 19 -5.594 -13.367 -14.420 119 HG3 LYS 19 HG3 LYS 19 -5.397 -12.351 -15.834 120 HD2 LYS 19 HD2 LYS 19 -3.006 -12.328 -15.633 121 HD3 LYS 19 HD3 LYS 19 -3.053 -12.903 -13.978 122 HE2 LYS 19 HE2 LYS 19 -4.382 -14.948 -15.299 123 HE3 LYS 19 HE3 LYS 19 -3.229 -14.443 -16.519 124 HZ1 LYS 19 HZ1 LYS 19 -2.104 -14.692 -13.861 125 HZ2 LYS 19 HZ2 LYS 19 -2.626 -16.101 -14.489 126 HZ3 LYS 19 HZ3 LYS 19 -1.548 -15.191 -15.317 127 H LEU 20 H LEU 20 -6.127 -9.560 -11.515 128 HA LEU 20 HA LEU 20 -3.879 -7.968 -11.060 129 HB2 LEU 20 HB2 LEU 20 -6.261 -7.246 -11.331 130 HB3 LEU 20 HB3 LEU 20 -6.571 -7.814 -9.703 131 HG LEU 20 HG LEU 20 -6.259 -5.403 -9.746 132 HD11 LEU 20 HD11 LEU 20 -5.190 -5.344 -7.769 133 HD12 LEU 20 HD12 LEU 20 -5.176 -7.115 -7.942 134 HD13 LEU 20 HD13 LEU 20 -3.743 -6.165 -8.401 135 HD21 LEU 20 HD21 LEU 20 -4.044 -4.419 -10.283 136 HD22 LEU 20 HD22 LEU 20 -3.520 -6.008 -10.890 137 HD23 LEU 20 HD23 LEU 20 -4.858 -5.147 -11.689 138 H ILE 21 H ILE 21 -5.398 -10.569 -9.207 139 HA ILE 21 HA ILE 21 -3.956 -9.849 -6.809 140 HB ILE 21 HB ILE 21 -5.851 -12.076 -7.534 141 HG12 ILE 21 HG12 ILE 21 -6.260 -10.004 -5.395 142 HG13 ILE 21 HG13 ILE 21 -6.546 -9.586 -7.073 143 HG21 ILE 21 HG21 ILE 21 -4.847 -13.296 -5.951 144 HG22 ILE 21 HG22 ILE 21 -3.931 -11.907 -5.320 145 HG23 ILE 21 HG23 ILE 21 -5.613 -12.173 -4.803 146 HD11 ILE 21 HD11 ILE 21 -7.870 -11.838 -5.499 147 HD12 ILE 21 HD12 ILE 21 -8.645 -10.370 -6.141 148 HD13 ILE 21 HD13 ILE 21 -8.055 -11.626 -7.257 149 H ARG 22 H ARG 22 -3.473 -11.674 -9.729 150 HA ARG 22 HA ARG 22 -1.539 -13.387 -8.492 151 HB2 ARG 22 HB2 ARG 22 -2.843 -13.146 -11.182 152 HB3 ARG 22 HB3 ARG 22 -1.217 -13.798 -11.191 153 HG2 ARG 22 HG2 ARG 22 -1.811 -15.693 -9.938 154 HG3 ARG 22 HG3 ARG 22 -3.159 -14.891 -9.157 155 HD2 ARG 22 HD2 ARG 22 -4.244 -14.814 -11.542 156 HD3 ARG 22 HD3 ARG 22 -3.026 -15.991 -11.992 157 HE ARG 22 HE ARG 22 -4.272 -16.866 -9.568 158 HH11 ARG 22 HH22 ARG 22 -5.030 -16.473 -13.006 159 HH12 ARG 22 HH21 ARG 22 -6.220 -17.732 -13.015 160 HH21 ARG 22 HH12 ARG 22 -5.820 -18.498 -9.593 161 HH22 ARG 22 HH11 ARG 22 -6.668 -18.889 -11.055 162 H LYS 23 H LYS 23 0.485 -12.564 -8.054 163 HA LYS 23 HA LYS 23 1.562 -10.623 -9.980 164 HB2 LYS 23 HB2 LYS 23 1.948 -10.812 -6.980 165 HB3 LYS 23 HB3 LYS 23 2.920 -9.794 -8.023 166 HG2 LYS 23 HG2 LYS 23 0.113 -9.376 -8.649 167 HG3 LYS 23 HG3 LYS 23 0.339 -9.219 -6.919 168 HD2 LYS 23 HD2 LYS 23 1.723 -7.358 -7.116 169 HD3 LYS 23 HD3 LYS 23 2.383 -7.871 -8.656 170 HE2 LYS 23 HE2 LYS 23 0.742 -6.809 -9.866 171 HE3 LYS 23 HE3 LYS 23 -0.527 -7.284 -8.755 172 HZ1 LYS 23 HZ1 LYS 23 -0.436 -5.133 -8.108 173 HZ2 LYS 23 HZ2 LYS 23 0.918 -5.514 -7.288 174 HZ3 LYS 23 HZ3 LYS 23 1.028 -4.911 -8.805 175 H ALA 24 H ALA 24 4.218 -10.633 -9.314 176 HA ALA 24 HA ALA 24 5.085 -13.023 -10.519 177 HB1 ALA 24 HB1 ALA 24 6.348 -11.052 -10.906 178 HB2 ALA 24 HB2 ALA 24 6.451 -10.676 -9.169 179 HB3 ALA 24 HB3 ALA 24 7.372 -12.044 -9.839 180 H LYS 25 H LYS 25 5.782 -14.946 -9.665 181 HA LYS 25 HA LYS 25 6.254 -16.509 -8.178 182 HB2 LYS 25 HB2 LYS 25 7.736 -14.346 -7.332 183 HB3 LYS 25 HB3 LYS 25 6.856 -14.772 -5.878 184 HG2 LYS 25 HG2 LYS 25 7.598 -17.274 -6.743 185 HG3 LYS 25 HG3 LYS 25 8.934 -16.325 -7.364 186 HD2 LYS 25 HD2 LYS 25 9.816 -16.554 -5.268 187 HD3 LYS 25 HD3 LYS 25 8.705 -15.274 -4.824 188 HE2 LYS 25 HE2 LYS 25 7.018 -16.898 -4.093 189 HE3 LYS 25 HE3 LYS 25 7.964 -18.234 -4.718 190 HZ1 LYS 25 HZ1 LYS 25 8.166 -17.697 -2.233 191 HZ2 LYS 25 HZ2 LYS 25 9.561 -17.956 -3.032 192 HZ3 LYS 25 HZ3 LYS 25 9.074 -16.425 -2.721 193 H GLU 26 H GLU 26 5.045 -14.047 -5.819 194 HA GLU 26 HA GLU 26 2.509 -15.375 -5.757 195 HB2 GLU 26 HB2 GLU 26 4.360 -16.472 -4.110 196 HB3 GLU 26 HB3 GLU 26 3.818 -15.173 -3.065 197 HG2 GLU 26 HG2 GLU 26 1.520 -15.942 -3.140 198 HG3 GLU 26 HG3 GLU 26 1.860 -17.049 -4.456 199 H ALA 27 H ALA 27 4.416 -13.354 -3.409 200 HA ALA 27 HA ALA 27 3.321 -10.916 -4.175 201 HB1 ALA 27 HB1 ALA 27 1.471 -10.584 -2.816 202 HB2 ALA 27 HB2 ALA 27 1.277 -12.309 -3.210 203 HB3 ALA 27 HB3 ALA 27 1.973 -11.826 -1.645 204 HA PRO 28 HA PRO 28 6.729 -11.091 -1.155 205 HB2 PRO 28 HB2 PRO 28 8.746 -10.193 -2.765 206 HB3 PRO 28 HB3 PRO 28 8.439 -11.893 -2.471 207 HG2 PRO 28 HG2 PRO 28 7.841 -10.291 -4.883 208 HG3 PRO 28 HG3 PRO 28 7.940 -12.033 -4.719 209 HD2 PRO 28 HD2 PRO 28 5.549 -10.459 -4.899 210 HD3 PRO 28 HD3 PRO 28 5.648 -12.186 -4.618 211 H PHE 29 H PHE 29 8.532 -9.182 -0.801 212 HA PHE 29 HA PHE 29 6.777 -6.859 -0.647 213 HB2 PHE 29 HB2 PHE 29 7.972 -7.851 1.383 214 HB3 PHE 29 HB3 PHE 29 9.508 -7.555 0.592 215 HD1 PHE 29 HD2 PHE 29 6.426 -5.656 1.527 216 HD2 PHE 29 HD1 PHE 29 10.658 -5.659 1.207 217 HE1 PHE 29 HE2 PHE 29 6.504 -3.360 2.539 218 HE2 PHE 29 HE1 PHE 29 10.736 -3.363 2.218 219 HZ PHE 29 HZ PHE 29 8.658 -2.241 2.872 220 H VAL 30 H VAL 30 9.545 -8.134 -2.358 221 HA VAL 30 HA VAL 30 11.035 -5.915 -2.897 222 HB VAL 30 HB VAL 30 10.491 -8.515 -4.114 223 HG11 VAL 30 HG11 VAL 30 11.149 -6.153 -5.866 224 HG12 VAL 30 HG12 VAL 30 11.774 -7.773 -6.255 225 HG13 VAL 30 HG13 VAL 30 10.018 -7.496 -6.157 226 HG21 VAL 30 HG21 VAL 30 12.698 -8.816 -3.744 227 HG22 VAL 30 HG22 VAL 30 13.136 -7.231 -4.424 228 HG23 VAL 30 HG23 VAL 30 12.546 -7.348 -2.749 229 HA PRO 31 HA PRO 31 7.925 -4.783 -6.275 230 HB2 PRO 31 HB2 PRO 31 5.523 -6.078 -6.424 231 HB3 PRO 31 HB3 PRO 31 6.912 -6.520 -7.397 232 HG2 PRO 31 HG2 PRO 31 5.793 -7.895 -5.032 233 HG3 PRO 31 HG3 PRO 31 6.885 -8.521 -6.251 234 HD2 PRO 31 HD2 PRO 31 7.573 -7.696 -3.591 235 HD3 PRO 31 HD3 PRO 31 8.680 -8.212 -4.848 236 H VAL 32 H VAL 32 6.980 -5.467 -3.086 237 HA VAL 32 HA VAL 32 4.803 -3.630 -3.052 238 HB VAL 32 HB VAL 32 6.438 -4.910 -0.853 239 HG11 VAL 32 HG11 VAL 32 4.354 -4.385 0.529 240 HG12 VAL 32 HG12 VAL 32 5.418 -3.015 0.131 241 HG13 VAL 32 HG13 VAL 32 3.904 -3.257 -0.772 242 HG21 VAL 32 HG21 VAL 32 3.652 -5.681 -1.737 243 HG22 VAL 32 HG22 VAL 32 5.107 -6.390 -2.478 244 HG23 VAL 32 HG23 VAL 32 4.802 -6.600 -0.736 245 H GLY 33 H GLY 33 8.312 -3.544 -2.261 246 HA2 GLY 33 HA2 GLY 33 8.223 -0.883 -1.206 247 HA3 GLY 33 HA3 GLY 33 9.640 -1.832 -1.605 248 H ILE 34 H ILE 34 9.322 -2.398 -4.323 249 HA ILE 34 HA ILE 34 10.153 0.003 -5.481 250 HB ILE 34 HB ILE 34 9.440 -2.725 -6.477 251 HG12 ILE 34 HG12 ILE 34 11.609 -2.363 -5.392 252 HG13 ILE 34 HG13 ILE 34 11.790 -2.796 -7.080 253 HG21 ILE 34 HG21 ILE 34 9.910 -0.277 -8.182 254 HG22 ILE 34 HG22 ILE 34 10.221 -1.931 -8.762 255 HG23 ILE 34 HG23 ILE 34 8.579 -1.455 -8.267 256 HD11 ILE 34 HD11 ILE 34 11.568 0.067 -6.965 257 HD12 ILE 34 HD12 ILE 34 12.748 -0.439 -5.732 258 HD13 ILE 34 HD13 ILE 34 12.982 -0.908 -7.434 259 H ALA 35 H ALA 35 7.093 -1.893 -6.010 260 HA ALA 35 HA ALA 35 5.890 0.113 -7.549 261 HB1 ALA 35 HB1 ALA 35 4.466 -1.960 -5.848 262 HB2 ALA 35 HB2 ALA 35 3.940 -1.251 -7.394 263 HB3 ALA 35 HB3 ALA 35 5.317 -2.378 -7.355 264 H GLY 36 H GLY 36 5.281 -0.869 -4.096 265 HA2 GLY 36 HA2 GLY 36 3.514 1.000 -3.310 266 HA3 GLY 36 HA3 GLY 36 4.821 0.424 -2.295 267 H PHE 37 H PHE 37 7.080 1.484 -3.717 268 HA PHE 37 HA PHE 37 7.119 4.075 -2.670 269 HB2 PHE 37 HB2 PHE 37 9.126 2.651 -3.005 270 HB3 PHE 37 HB3 PHE 37 8.797 2.518 -4.721 271 HD1 PHE 37 HD2 PHE 37 9.559 5.081 -2.122 272 HD2 PHE 37 HD1 PHE 37 9.886 3.936 -6.195 273 HE1 PHE 37 HE2 PHE 37 11.037 7.061 -2.560 274 HE2 PHE 37 HE1 PHE 37 11.364 5.917 -6.633 275 HZ PHE 37 HZ PHE 37 11.922 7.456 -4.810 276 H ALA 38 H ALA 38 7.199 2.953 -6.135 277 HA ALA 38 HA ALA 38 7.052 5.455 -7.277 278 HB1 ALA 38 HB1 ALA 38 5.562 3.323 -8.677 279 HB2 ALA 38 HB2 ALA 38 6.991 4.249 -9.195 280 HB3 ALA 38 HB3 ALA 38 7.184 2.836 -8.130 281 H ALA 39 H ALA 39 4.307 3.134 -6.701 282 HA ALA 39 HA ALA 39 2.266 4.766 -7.464 283 HB1 ALA 39 HB1 ALA 39 2.082 2.372 -6.846 284 HB2 ALA 39 HB2 ALA 39 2.315 2.804 -5.135 285 HB3 ALA 39 HB3 ALA 39 0.867 3.364 -6.005 286 H ILE 40 H ILE 40 3.559 4.405 -4.080 287 HA ILE 40 HA ILE 40 2.061 6.202 -2.786 288 HB ILE 40 HB ILE 40 4.928 5.409 -2.583 289 HG12 ILE 40 HG12 ILE 40 2.701 5.235 -0.544 290 HG13 ILE 40 HG13 ILE 40 2.931 4.028 -1.793 291 HG21 ILE 40 HG21 ILE 40 5.379 7.515 -1.832 292 HG22 ILE 40 HG22 ILE 40 3.706 7.812 -1.302 293 HG23 ILE 40 HG23 ILE 40 4.781 6.787 -0.322 294 HD11 ILE 40 HD11 ILE 40 5.295 4.846 -0.093 295 HD12 ILE 40 HD12 ILE 40 4.088 3.714 0.562 296 HD13 ILE 40 HD13 ILE 40 4.986 3.300 -0.917 297 H VAL 41 H VAL 41 5.084 7.046 -4.621 298 HA VAL 41 HA VAL 41 4.974 9.757 -4.258 299 HB VAL 41 HB VAL 41 5.931 8.060 -6.562 300 HG11 VAL 41 HG11 VAL 41 7.107 9.956 -7.459 301 HG12 VAL 41 HG12 VAL 41 5.389 10.395 -7.307 302 HG13 VAL 41 HG13 VAL 41 6.569 10.993 -6.116 303 HG21 VAL 41 HG21 VAL 41 7.808 9.554 -4.817 304 HG22 VAL 41 HG22 VAL 41 6.913 8.226 -4.040 305 HG23 VAL 41 HG23 VAL 41 7.914 7.904 -5.476 306 H ALA 42 H ALA 42 3.318 7.727 -6.750 307 HA ALA 42 HA ALA 42 2.204 9.828 -8.188 308 HB1 ALA 42 HB1 ALA 42 1.401 8.105 -9.398 309 HB2 ALA 42 HB2 ALA 42 2.210 7.028 -8.235 310 HB3 ALA 42 HB3 ALA 42 0.498 7.459 -8.007 311 H TYR 43 H TYR 43 0.662 7.764 -5.615 312 HA TYR 43 HA TYR 43 -1.705 9.055 -5.392 313 HB2 TYR 43 HB2 TYR 43 0.230 7.521 -3.695 314 HB3 TYR 43 HB3 TYR 43 -0.860 8.512 -2.745 315 HD1 TYR 43 HD1 TYR 43 -3.346 8.150 -2.923 316 HD2 TYR 43 HD2 TYR 43 -0.520 5.508 -4.750 317 HE1 TYR 43 HE1 TYR 43 -5.140 6.361 -3.128 318 HE2 TYR 43 HE2 TYR 43 -2.324 3.727 -4.948 319 HH TYR 43 HH TYR 43 -4.439 3.281 -4.740 320 H GLY 44 H GLY 44 1.230 9.823 -3.378 321 HA2 GLY 44 HA2 GLY 44 0.280 11.986 -2.017 322 HA3 GLY 44 HA3 GLY 44 1.945 11.783 -2.526 323 H LEU 45 H LEU 45 1.694 11.919 -5.357 324 HA LEU 45 HA LEU 45 1.706 14.666 -5.747 325 HB2 LEU 45 HB2 LEU 45 2.325 12.343 -7.187 326 HB3 LEU 45 HB3 LEU 45 1.134 13.181 -8.163 327 HG LEU 45 HG LEU 45 3.354 14.844 -7.091 328 HD11 LEU 45 HD11 LEU 45 4.101 13.424 -9.562 329 HD12 LEU 45 HD12 LEU 45 5.088 13.905 -8.160 330 HD13 LEU 45 HD13 LEU 45 4.107 12.421 -8.091 331 HD21 LEU 45 HD21 LEU 45 1.321 15.134 -8.978 332 HD22 LEU 45 HD22 LEU 45 2.687 16.238 -8.689 333 HD23 LEU 45 HD23 LEU 45 2.811 14.977 -9.940 334 H TYR 46 H TYR 46 -0.840 12.191 -6.459 335 HA TYR 46 HA TYR 46 -2.657 14.004 -7.577 336 HB2 TYR 46 HB2 TYR 46 -2.541 11.248 -6.343 337 HB3 TYR 46 HB3 TYR 46 -4.140 11.962 -6.392 338 HD1 TYR 46 HD1 TYR 46 -4.887 12.929 -8.737 339 HD2 TYR 46 HD2 TYR 46 -1.767 10.053 -8.192 340 HE1 TYR 46 HE1 TYR 46 -5.134 12.191 -11.157 341 HE2 TYR 46 HE2 TYR 46 -2.025 9.325 -10.614 342 HH TYR 46 HH TYR 46 -2.823 10.236 -12.690 343 H LYS 47 H LYS 47 -2.520 12.564 -4.237 344 HA LYS 47 HA LYS 47 -4.662 13.897 -3.186 345 HB2 LYS 47 HB2 LYS 47 -2.274 12.519 -2.171 346 HB3 LYS 47 HB3 LYS 47 -2.878 13.750 -1.079 347 HG2 LYS 47 HG2 LYS 47 -4.923 12.671 -0.753 348 HG3 LYS 47 HG3 LYS 47 -4.917 11.934 -2.343 349 HD2 LYS 47 HD2 LYS 47 -2.800 10.611 -1.379 350 HD3 LYS 47 HD3 LYS 47 -3.500 11.032 0.171 351 HE2 LYS 47 HE2 LYS 47 -5.742 10.090 -0.806 352 HE3 LYS 47 HE3 LYS 47 -4.743 9.369 -2.052 353 HZ1 LYS 47 HZ1 LYS 47 -4.303 7.737 -0.594 354 HZ2 LYS 47 HZ2 LYS 47 -3.509 8.783 0.369 355 HZ3 LYS 47 HZ3 LYS 47 -5.114 8.540 0.580 356 H LEU 48 H LEU 48 -1.234 15.007 -3.473 357 HA LEU 48 HA LEU 48 -1.331 17.313 -2.078 358 HB2 LEU 48 HB2 LEU 48 0.221 16.204 -4.247 359 HB3 LEU 48 HB3 LEU 48 0.049 17.937 -4.443 360 HG LEU 48 HG LEU 48 0.832 18.149 -2.014 361 HD11 LEU 48 HD11 LEU 48 0.491 15.474 -1.878 362 HD12 LEU 48 HD12 LEU 48 2.228 15.549 -2.260 363 HD13 LEU 48 HD13 LEU 48 1.595 16.391 -0.826 364 HD21 LEU 48 HD21 LEU 48 2.693 17.125 -4.173 365 HD22 LEU 48 HD22 LEU 48 2.247 18.815 -3.835 366 HD23 LEU 48 HD23 LEU 48 3.226 17.901 -2.662 367 H LYS 49 H LYS 49 -2.351 16.905 -5.541 368 HA LYS 49 HA LYS 49 -3.109 19.428 -6.103 369 HB2 LYS 49 HB2 LYS 49 -3.245 17.159 -7.438 370 HB3 LYS 49 HB3 LYS 49 -4.913 17.166 -6.904 371 HG2 LYS 49 HG2 LYS 49 -5.480 18.842 -8.342 372 HG3 LYS 49 HG3 LYS 49 -4.094 19.814 -7.889 373 HD2 LYS 49 HD2 LYS 49 -2.632 18.438 -9.375 374 HD3 LYS 49 HD3 LYS 49 -4.005 17.441 -9.814 375 HE2 LYS 49 HE2 LYS 49 -5.164 19.481 -10.735 376 HE3 LYS 49 HE3 LYS 49 -3.753 20.442 -10.341 377 HZ1 LYS 49 HZ1 LYS 49 -2.852 18.237 -11.796 378 HZ2 LYS 49 HZ2 LYS 49 -4.145 18.808 -12.604 379 HZ3 LYS 49 HZ3 LYS 49 -2.905 19.812 -12.237 380 H SER 50 H SER 50 -5.007 20.720 -5.882 381 HA SER 50 HA SER 50 -6.540 19.943 -3.535 382 HB2 SER 50 HB2 SER 50 -6.104 22.692 -4.784 383 HB3 SER 50 HB3 SER 50 -7.072 22.388 -3.355 384 HG SER 50 HG SER 50 -4.539 21.264 -3.133 385 H ARG 51 H ARG 51 -8.889 20.274 -3.548 386 HA ARG 51 HA ARG 51 -10.880 20.353 -4.405 387 HB2 ARG 51 HB2 ARG 51 -9.438 22.073 -6.191 388 HB3 ARG 51 HB3 ARG 51 -10.446 21.057 -7.202 389 HG2 ARG 51 HG2 ARG 51 -12.087 21.819 -4.997 390 HG3 ARG 51 HG3 ARG 51 -11.229 23.271 -5.472 391 HD2 ARG 51 HD2 ARG 51 -13.069 23.369 -6.916 392 HD3 ARG 51 HD3 ARG 51 -11.908 22.544 -7.937 393 HE ARG 51 HE ARG 51 -13.308 20.567 -6.424 394 HH11 ARG 51 HH22 ARG 51 -13.932 22.897 -9.020 395 HH12 ARG 51 HH21 ARG 51 -15.212 21.962 -9.720 396 HH21 ARG 51 HH12 ARG 51 -14.971 19.363 -7.343 397 HH22 ARG 51 HH11 ARG 51 -15.802 19.936 -8.753 398 H GLY 52 H GLY 52 -8.631 19.410 -7.119 399 HA2 GLY 52 HA2 GLY 52 -10.316 17.446 -8.214 400 HA3 GLY 52 HA3 GLY 52 -8.590 17.611 -8.466 401 H ASN 53 H ASN 53 -11.100 16.251 -6.280 402 HA ASN 53 HA ASN 53 -11.126 14.495 -5.011 403 HB2 ASN 53 HB2 ASN 53 -9.865 13.512 -7.130 404 HB3 ASN 53 HB3 ASN 53 -8.452 13.522 -6.093 405 HD21 ASN 53 HD21 ASN 53 -8.130 11.439 -5.703 406 HD22 ASN 53 HD22 ASN 53 -9.254 10.352 -4.958 407 H THR 54 H THR 54 -10.749 15.050 -2.852 408 HA THR 54 HA THR 54 -8.078 14.836 -1.819 409 HB THR 54 HB THR 54 -8.090 17.175 -2.710 410 HG1 THR 54 HG1 THR 54 -8.509 16.964 0.188 411 HG21 THR 54 HG21 THR 54 -10.381 17.908 -2.608 412 HG22 THR 54 HG22 THR 54 -10.558 17.359 -0.924 413 HG23 THR 54 HG23 THR 54 -9.568 18.791 -1.293 414 H LYS 55 H LYS 55 -8.017 14.636 0.473 415 HA LYS 55 HA LYS 55 -10.610 14.652 1.792 416 HB2 LYS 55 HB2 LYS 55 -10.053 12.340 0.739 417 HB3 LYS 55 HB3 LYS 55 -8.872 12.201 2.026 418 HG2 LYS 55 HG2 LYS 55 -10.476 11.801 3.592 419 HG3 LYS 55 HG3 LYS 55 -11.444 13.163 3.064 420 HD2 LYS 55 HD2 LYS 55 -12.358 11.800 1.184 421 HD3 LYS 55 HD3 LYS 55 -11.370 10.440 1.679 422 HE2 LYS 55 HE2 LYS 55 -13.159 9.808 2.946 423 HE3 LYS 55 HE3 LYS 55 -12.668 11.076 4.052 424 HZ1 LYS 55 HZ1 LYS 55 -15.070 11.048 2.980 425 HZ2 LYS 55 HZ2 LYS 55 -14.326 12.461 3.300 426 HZ3 LYS 55 HZ3 LYS 55 -14.283 11.842 1.785 427 H MET 56 H MET 56 -7.209 13.503 2.384 428 HA MET 56 HA MET 56 -7.277 14.640 4.975 429 HB2 MET 56 HB2 MET 56 -5.337 13.120 3.234 430 HB3 MET 56 HB3 MET 56 -4.632 14.054 4.538 431 HG2 MET 56 HG2 MET 56 -6.529 12.887 6.009 432 HG3 MET 56 HG3 MET 56 -6.548 11.715 4.707 433 HE1 MET 56 HE1 MET 56 -4.495 9.439 5.124 434 HE2 MET 56 HE2 MET 56 -4.853 10.578 3.803 435 HE3 MET 56 HE3 MET 56 -3.178 10.367 4.368 436 H SER 57 H SER 57 -5.048 15.947 5.578 437 HA SER 57 HA SER 57 -4.533 17.902 3.522 438 HB2 SER 57 HB2 SER 57 -5.661 18.594 6.268 439 HB3 SER 57 HB3 SER 57 -4.898 19.773 5.220 440 HG SER 57 HG SER 57 -7.124 18.139 4.360 441 H ILE 58 H ILE 58 -4.027 17.110 7.042 442 HA ILE 58 HA ILE 58 -2.203 17.334 8.315 443 HB ILE 58 HB ILE 58 -1.177 15.750 5.961 444 HG12 ILE 58 HG12 ILE 58 -3.117 14.757 7.027 445 HG13 ILE 58 HG13 ILE 58 -1.683 13.812 7.375 446 HG21 ILE 58 HG21 ILE 58 0.342 14.869 7.983 447 HG22 ILE 58 HG22 ILE 58 0.840 16.187 6.896 448 HG23 ILE 58 HG23 ILE 58 0.151 16.563 8.493 449 HD11 ILE 58 HD11 ILE 58 -1.751 15.683 9.470 450 HD12 ILE 58 HD12 ILE 58 -3.458 15.242 9.223 451 HD13 ILE 58 HD13 ILE 58 -2.253 13.978 9.566 452 H HIS 59 H HIS 59 -1.879 19.588 8.396 453 HA HIS 59 HA HIS 59 0.189 20.525 6.541 454 HB2 HIS 59 HB2 HIS 59 -0.811 22.599 6.383 455 HB3 HIS 59 HB3 HIS 59 -2.191 21.518 6.388 456 HD1 HIS 59 HD1 HIS 59 -3.921 21.830 8.221 457 HD2 HIS 59 HD2 HIS 59 -0.382 23.964 8.937 458 HE1 HIS 59 HE1 HIS 59 -4.386 23.330 10.232 459 H LEU 60 H LEU 60 2.077 21.259 7.434 460 HA LEU 60 HA LEU 60 2.129 22.284 10.095 461 HB2 LEU 60 HB2 LEU 60 2.152 19.596 10.058 462 HB3 LEU 60 HB3 LEU 60 3.864 19.893 9.833 463 HG LEU 60 HG LEU 60 3.553 19.616 12.149 464 HD11 LEU 60 HD11 LEU 60 4.740 21.385 12.843 465 HD12 LEU 60 HD12 LEU 60 4.644 21.910 11.145 466 HD13 LEU 60 HD13 LEU 60 3.492 22.551 12.341 467 HD21 LEU 60 HD21 LEU 60 1.276 21.613 12.034 468 HD22 LEU 60 HD22 LEU 60 1.115 19.848 12.200 469 HD23 LEU 60 HD23 LEU 60 1.892 20.797 13.491 470 H ILE 61 H ILE 61 4.109 20.736 7.474 471 HA ILE 61 HA ILE 61 5.374 23.153 6.834 472 HB ILE 61 HB ILE 61 6.508 23.009 8.910 473 HG12 ILE 61 HG12 ILE 61 8.900 22.172 7.811 474 HG13 ILE 61 HG13 ILE 61 7.960 22.585 6.390 475 HG21 ILE 61 HG21 ILE 61 7.625 20.287 8.295 476 HG22 ILE 61 HG22 ILE 61 7.492 21.137 9.853 477 HG23 ILE 61 HG23 ILE 61 6.038 20.458 9.083 478 HD11 ILE 61 HD11 ILE 61 7.431 24.815 7.374 479 HD12 ILE 61 HD12 ILE 61 8.396 24.396 8.811 480 HD13 ILE 61 HD13 ILE 61 9.187 24.562 7.225 481 H HIS 62 H HIS 62 6.211 19.623 7.124 482 HA HIS 62 HA HIS 62 6.701 19.686 4.241 483 HB2 HIS 62 HB2 HIS 62 7.953 18.269 6.526 484 HB3 HIS 62 HB3 HIS 62 7.751 17.320 5.067 485 HD1 HIS 62 HD1 HIS 62 8.411 19.314 2.858 486 HD2 HIS 62 HD2 HIS 62 10.556 19.085 6.455 487 HE1 HIS 62 HE1 HIS 62 10.705 20.327 2.388 488 H MET 63 H MET 63 4.140 19.732 4.386 489 HA MET 63 HA MET 63 2.960 17.250 5.060 490 HB2 MET 63 HB2 MET 63 0.934 18.368 3.903 491 HB3 MET 63 HB3 MET 63 1.610 19.257 5.254 492 HG2 MET 63 HG2 MET 63 2.584 20.898 3.874 493 HG3 MET 63 HG3 MET 63 2.702 19.825 2.494 494 HE1 MET 63 HE1 MET 63 0.260 22.465 1.087 495 HE2 MET 63 HE2 MET 63 1.810 22.583 1.955 496 HE3 MET 63 HE3 MET 63 1.593 21.357 0.682 497 H ARG 64 H ARG 64 4.430 15.870 3.696 498 HA ARG 64 HA ARG 64 3.109 15.050 1.432 499 HB2 ARG 64 HB2 ARG 64 3.998 17.094 0.352 500 HB3 ARG 64 HB3 ARG 64 5.625 16.696 0.866 501 HG2 ARG 64 HG2 ARG 64 4.904 14.374 -0.457 502 HG3 ARG 64 HG3 ARG 64 4.022 15.575 -1.379 503 HD2 ARG 64 HD2 ARG 64 6.644 16.655 -0.903 504 HD3 ARG 64 HD3 ARG 64 6.864 14.996 -1.424 505 HE ARG 64 HE ARG 64 5.990 17.189 -3.075 506 HH11 ARG 64 HH22 ARG 64 5.427 13.726 -2.576 507 HH12 ARG 64 HH21 ARG 64 4.927 13.446 -4.210 508 HH21 ARG 64 HH12 ARG 64 5.339 16.810 -5.195 509 HH22 ARG 64 HH11 ARG 64 4.879 15.219 -5.707 510 H VAL 65 H VAL 65 6.681 15.499 1.965 511 HA VAL 65 HA VAL 65 7.171 12.729 1.624 512 HB VAL 65 HB VAL 65 8.718 14.558 1.016 513 HG11 VAL 65 HG11 VAL 65 8.306 15.989 3.005 514 HG12 VAL 65 HG12 VAL 65 9.200 14.818 4.004 515 HG13 VAL 65 HG13 VAL 65 10.037 15.701 2.705 516 HG21 VAL 65 HG21 VAL 65 9.329 12.066 1.792 517 HG22 VAL 65 HG22 VAL 65 10.564 13.244 1.286 518 HG23 VAL 65 HG23 VAL 65 10.254 12.966 3.017 519 H ALA 66 H ALA 66 7.196 14.967 4.479 520 HA ALA 66 HA ALA 66 7.937 13.163 6.396 521 HB1 ALA 66 HB1 ALA 66 7.108 14.740 7.934 522 HB2 ALA 66 HB2 ALA 66 7.444 15.718 6.486 523 HB3 ALA 66 HB3 ALA 66 5.775 15.228 6.860 524 H ALA 67 H ALA 67 4.524 14.027 5.467 525 HA ALA 67 HA ALA 67 3.273 12.141 7.017 526 HB1 ALA 67 HB1 ALA 67 2.326 12.892 4.241 527 HB2 ALA 67 HB2 ALA 67 1.365 12.614 5.713 528 HB3 ALA 67 HB3 ALA 67 2.355 14.085 5.561 529 H GLN 68 H GLN 68 5.127 11.771 4.025 530 HA GLN 68 HA GLN 68 4.048 9.271 3.346 531 HB2 GLN 68 HB2 GLN 68 5.583 11.072 2.034 532 HB3 GLN 68 HB3 GLN 68 6.854 9.983 2.551 533 HG2 GLN 68 HG2 GLN 68 6.323 8.732 0.725 534 HG3 GLN 68 HG3 GLN 68 4.920 8.206 1.634 535 HE21 GLN 68 HE21 GLN 68 2.910 8.974 1.173 536 HE22 GLN 68 HE22 GLN 68 2.526 9.939 -0.214 537 H GLY 69 H GLY 69 6.867 10.370 5.296 538 HA2 GLY 69 HA2 GLY 69 8.042 7.834 5.670 539 HA3 GLY 69 HA3 GLY 69 8.275 9.263 6.656 540 H PHE 70 H PHE 70 5.813 9.814 7.760 541 HA PHE 70 HA PHE 70 5.645 7.925 9.796 542 HB2 PHE 70 HB2 PHE 70 4.866 10.494 9.402 543 HB3 PHE 70 HB3 PHE 70 3.348 9.742 8.954 544 HD1 PHE 70 HD1 PHE 70 2.021 8.527 10.622 545 HD2 PHE 70 HD2 PHE 70 5.619 10.505 11.696 546 HE1 PHE 70 HE1 PHE 70 1.375 8.388 13.044 547 HE2 PHE 70 HE2 PHE 70 4.973 10.366 14.117 548 HZ PHE 70 HZ PHE 70 2.859 9.309 14.762 549 H VAL 71 H VAL 71 3.800 8.352 6.747 550 HA VAL 71 HA VAL 71 1.761 6.521 7.423 551 HB VAL 71 HB VAL 71 2.777 7.809 4.910 552 HG11 VAL 71 HG11 VAL 71 0.507 5.794 5.027 553 HG12 VAL 71 HG12 VAL 71 1.025 6.733 3.606 554 HG13 VAL 71 HG13 VAL 71 2.106 5.502 4.302 555 HG21 VAL 71 HG21 VAL 71 -0.067 7.991 5.660 556 HG22 VAL 71 HG22 VAL 71 1.054 8.654 6.873 557 HG23 VAL 71 HG23 VAL 71 1.086 9.267 5.202 558 H VAL 72 H VAL 72 4.588 6.218 5.149 559 HA VAL 72 HA VAL 72 4.299 3.510 4.707 560 HB VAL 72 HB VAL 72 6.522 3.589 3.853 561 HG11 VAL 72 HG11 VAL 72 6.241 6.228 2.941 562 HG12 VAL 72 HG12 VAL 72 5.619 4.749 2.171 563 HG13 VAL 72 HG13 VAL 72 4.584 5.675 3.283 564 HG21 VAL 72 HG21 VAL 72 8.204 4.738 4.770 565 HG22 VAL 72 HG22 VAL 72 7.320 6.276 4.621 566 HG23 VAL 72 HG23 VAL 72 7.072 5.242 6.049 567 H GLY 73 H GLY 73 5.436 5.261 7.533 568 HA2 GLY 73 HA2 GLY 73 7.018 3.206 8.677 569 HA3 GLY 73 HA3 GLY 73 6.313 4.586 9.495 570 H ALA 74 H ALA 74 3.716 4.415 9.624 571 HA ALA 74 HA ALA 74 3.169 2.303 11.332 572 HB1 ALA 74 HB1 ALA 74 1.069 3.279 11.510 573 HB2 ALA 74 HB2 ALA 74 2.014 4.642 10.863 574 HB3 ALA 74 HB3 ALA 74 0.987 3.675 9.777 575 H MET 75 H MET 75 2.826 2.652 7.791 576 HA MET 75 HA MET 75 1.211 0.382 7.484 577 HB2 MET 75 HB2 MET 75 2.518 2.417 5.845 578 HB3 MET 75 HB3 MET 75 2.803 0.846 5.124 579 HG2 MET 75 HG2 MET 75 0.286 0.396 5.331 580 HG3 MET 75 HG3 MET 75 0.092 2.068 5.818 581 HE1 MET 75 HE1 MET 75 1.494 0.386 1.843 582 HE2 MET 75 HE2 MET 75 1.342 -0.410 3.428 583 HE3 MET 75 HE3 MET 75 -0.113 -0.065 2.462 584 H THR 76 H THR 76 4.768 0.972 7.323 585 HA THR 76 HA THR 76 5.507 -1.548 6.387 586 HB THR 76 HB THR 76 6.819 0.669 8.007 587 HG1 THR 76 HG1 THR 76 7.975 0.671 5.893 588 HG21 THR 76 HG21 THR 76 8.391 -0.862 8.717 589 HG22 THR 76 HG22 THR 76 7.770 -2.128 7.630 590 HG23 THR 76 HG23 THR 76 8.892 -0.893 7.009 591 H VAL 77 H VAL 77 5.004 -0.358 9.760 592 HA VAL 77 HA VAL 77 5.803 -2.751 10.971 593 HB VAL 77 HB VAL 77 3.958 -0.527 11.857 594 HG11 VAL 77 HG11 VAL 77 5.329 -2.420 13.756 595 HG12 VAL 77 HG12 VAL 77 3.910 -1.378 14.020 596 HG13 VAL 77 HG13 VAL 77 3.760 -2.852 13.033 597 HG21 VAL 77 HG21 VAL 77 5.806 0.509 12.811 598 HG22 VAL 77 HG22 VAL 77 6.763 -0.992 12.847 599 HG23 VAL 77 HG23 VAL 77 6.485 -0.150 11.303 600 H GLY 78 H GLY 78 2.541 -1.488 10.012 601 HA2 GLY 78 HA2 GLY 78 0.998 -3.587 10.932 602 HA3 GLY 78 HA3 GLY 78 0.623 -2.566 9.558 603 H MET 79 H MET 79 2.745 -3.209 7.775 604 HA MET 79 HA MET 79 1.730 -5.564 6.690 605 HB2 MET 79 HB2 MET 79 4.177 -3.815 6.160 606 HB3 MET 79 HB3 MET 79 3.910 -5.267 5.215 607 HG2 MET 79 HG2 MET 79 1.517 -3.501 5.470 608 HG3 MET 79 HG3 MET 79 2.858 -2.787 4.597 609 HE1 MET 79 HE1 MET 79 0.347 -6.419 3.411 610 HE2 MET 79 HE2 MET 79 1.357 -6.530 4.873 611 HE3 MET 79 HE3 MET 79 0.088 -5.287 4.759 612 H GLY 80 H GLY 80 4.872 -4.811 8.345 613 HA2 GLY 80 HA2 GLY 80 6.149 -7.220 8.106 614 HA3 GLY 80 HA3 GLY 80 6.287 -6.143 9.481 615 H TYR 81 H TYR 81 3.585 -6.256 10.472 616 HA TYR 81 HA TYR 81 3.720 -8.843 11.748 617 HB2 TYR 81 HB2 TYR 81 2.416 -6.136 12.016 618 HB3 TYR 81 HB3 TYR 81 1.450 -7.463 12.629 619 HD1 TYR 81 HD1 TYR 81 2.301 -8.866 14.514 620 HD2 TYR 81 HD2 TYR 81 4.381 -5.374 13.180 621 HE1 TYR 81 HE1 TYR 81 3.624 -8.816 16.685 622 HE2 TYR 81 HE2 TYR 81 5.698 -5.336 15.354 623 HH TYR 81 HH TYR 81 5.688 -7.978 17.513 624 H SER 82 H SER 82 2.041 -7.330 9.084 625 HA SER 82 HA SER 82 0.337 -7.905 7.857 626 HB2 SER 82 HB2 SER 82 1.066 -10.759 8.651 627 HB3 SER 82 HB3 SER 82 0.171 -10.287 7.221 628 HG SER 82 HG SER 82 2.138 -8.988 6.628 629 H MET 83 H MET 83 -1.761 -9.600 7.805 630 HA MET 83 HA MET 83 -2.821 -9.550 10.522 631 HB2 MET 83 HB2 MET 83 -3.643 -7.724 8.791 632 HB3 MET 83 HB3 MET 83 -4.503 -9.044 8.023 633 HG2 MET 83 HG2 MET 83 -6.048 -9.221 9.734 634 HG3 MET 83 HG3 MET 83 -4.867 -8.877 10.982 635 HE1 MET 83 HE1 MET 83 -6.403 -5.712 12.052 636 HE2 MET 83 HE2 MET 83 -6.451 -7.478 12.271 637 HE3 MET 83 HE3 MET 83 -4.889 -6.624 12.259 638 H TYR 84 H TYR 84 -2.079 -11.859 10.495 639 HA TYR 84 HA TYR 84 -3.712 -13.567 8.769 640 HB2 TYR 84 HB2 TYR 84 -1.010 -13.482 9.793 641 HB3 TYR 84 HB3 TYR 84 -1.779 -14.831 10.605 642 HD1 TYR 84 HD2 TYR 84 -1.997 -13.496 7.097 643 HD2 TYR 84 HD1 TYR 84 -1.132 -16.832 9.633 644 HE1 TYR 84 HE2 TYR 84 -1.604 -14.957 5.054 645 HE2 TYR 84 HE1 TYR 84 -0.742 -18.281 7.581 646 HH TYR 84 HH TYR 84 -0.688 -16.881 4.369 647 H ARG 85 H ARG 85 -4.193 -15.810 9.998 648 HA ARG 85 HA ARG 85 -6.065 -15.105 11.946 649 HB2 ARG 85 HB2 ARG 85 -5.197 -17.544 10.511 650 HB3 ARG 85 HB3 ARG 85 -5.708 -17.888 12.151 651 HG2 ARG 85 HG2 ARG 85 -7.800 -16.417 11.612 652 HG3 ARG 85 HG3 ARG 85 -7.317 -16.564 9.934 653 HD2 ARG 85 HD2 ARG 85 -8.795 -18.387 10.188 654 HD3 ARG 85 HD3 ARG 85 -7.231 -19.149 10.403 655 HE ARG 85 HE ARG 85 -8.457 -18.163 12.893 656 HH11 ARG 85 HH22 ARG 85 -8.075 -20.925 10.708 657 HH12 ARG 85 HH21 ARG 85 -8.490 -22.096 11.914 658 HH21 ARG 85 HH12 ARG 85 -8.993 -19.693 14.451 659 HH22 ARG 85 HH11 ARG 85 -9.015 -21.382 14.060 660 H GLU 86 H GLU 86 -4.677 -14.017 13.575 661 HA GLU 86 HA GLU 86 -3.484 -13.903 15.388 662 HB2 GLU 86 HB2 GLU 86 -4.610 -16.708 15.707 663 HB3 GLU 86 HB3 GLU 86 -3.626 -15.973 16.957 664 HG2 GLU 86 HG2 GLU 86 -5.878 -14.308 15.868 665 HG3 GLU 86 HG3 GLU 86 -6.328 -15.689 16.849 666 H PHE 87 H PHE 87 -1.459 -13.660 14.228 667 HA PHE 87 HA PHE 87 0.489 -15.516 15.028 668 HB2 PHE 87 HB2 PHE 87 -0.840 -16.494 12.901 669 HB3 PHE 87 HB3 PHE 87 0.090 -15.311 12.005 670 HD1 PHE 87 HD1 PHE 87 0.565 -18.081 14.458 671 HD2 PHE 87 HD2 PHE 87 2.172 -15.907 11.187 672 HE1 PHE 87 HE1 PHE 87 2.491 -19.686 14.338 673 HE2 PHE 87 HE2 PHE 87 4.098 -17.512 11.066 674 HZ PHE 87 HZ PHE 87 4.234 -19.383 12.643 675 H TRP 88 H TRP 88 2.623 -14.694 14.704 676 HA TRP 88 HA TRP 88 2.870 -12.268 13.126 677 HB2 TRP 88 HB2 TRP 88 3.662 -10.899 14.869 678 HB3 TRP 88 HB3 TRP 88 2.127 -11.559 15.398 679 HD1 TRP 88 HD1 TRP 88 2.201 -13.270 17.511 680 HE1 TRP 88 HE1 TRP 88 3.972 -13.844 19.380 681 HE3 TRP 88 HE3 TRP 88 6.159 -11.111 15.160 682 HZ2 TRP 88 HZ2 TRP 88 6.768 -13.342 19.660 683 HZ3 TRP 88 HZ3 TRP 88 8.374 -11.197 16.300 684 HH2 TRP 88 HH2 TRP 88 8.714 -12.263 18.473 685 H ALA 89 H ALA 89 4.895 -12.202 12.162 686 HA ALA 89 HA ALA 89 7.192 -13.324 13.311 687 HB1 ALA 89 HB1 ALA 89 5.561 -15.319 12.418 688 HB2 ALA 89 HB2 ALA 89 6.495 -14.979 10.942 689 HB3 ALA 89 HB3 ALA 89 7.337 -15.428 12.444 690 H LYS 90 H LYS 90 8.894 -12.272 12.383 691 HA LYS 90 HA LYS 90 8.392 -11.113 9.729 692 HB2 LYS 90 HB2 LYS 90 9.719 -9.201 10.386 693 HB3 LYS 90 HB3 LYS 90 8.401 -9.423 11.518 694 HG2 LYS 90 HG2 LYS 90 9.903 -10.500 13.143 695 HG3 LYS 90 HG3 LYS 90 11.225 -10.482 11.994 696 HD2 LYS 90 HD2 LYS 90 11.814 -8.490 12.927 697 HD3 LYS 90 HD3 LYS 90 10.470 -7.804 12.035 698 HE2 LYS 90 HE2 LYS 90 9.756 -7.140 14.115 699 HE3 LYS 90 HE3 LYS 90 9.114 -8.768 14.204 700 HZ1 LYS 90 HZ1 LYS 90 10.828 -7.791 15.997 701 HZ2 LYS 90 HZ2 LYS 90 10.728 -9.385 15.675 702 HZ3 LYS 90 HZ3 LYS 90 11.871 -8.476 14.939 703 HA PRO 91 HA PRO 91 11.926 -13.233 8.449 704 HB2 PRO 91 HB2 PRO 91 12.698 -11.751 6.287 705 HB3 PRO 91 HB3 PRO 91 11.398 -12.924 6.229 706 HG2 PRO 91 HG2 PRO 91 11.230 -9.974 6.289 707 HG3 PRO 91 HG3 PRO 91 10.006 -11.133 5.811 708 HD2 PRO 91 HD2 PRO 91 10.128 -9.690 8.286 709 HD3 PRO 91 HD3 PRO 91 8.972 -10.934 7.854 710 H LYS 92 H LYS 92 13.925 -13.520 9.218 711 HA LYS 92 HA LYS 92 15.358 -11.009 9.740 712 HB2 LYS 92 HB2 LYS 92 14.488 -13.009 11.594 713 HB3 LYS 92 HB3 LYS 92 16.238 -13.068 11.515 714 HG2 LYS 92 HG2 LYS 92 16.154 -11.320 12.987 715 HG3 LYS 92 HG3 LYS 92 15.844 -10.346 11.563 716 HD2 LYS 92 HD2 LYS 92 13.734 -9.868 12.255 717 HD3 LYS 92 HD3 LYS 92 13.356 -11.565 12.468 718 HE2 LYS 92 HE2 LYS 92 15.155 -10.396 14.551 719 HE3 LYS 92 HE3 LYS 92 13.524 -9.756 14.533 720 HZ1 LYS 92 HZ1 LYS 92 14.143 -12.004 15.791 721 HZ2 LYS 92 HZ2 LYS 92 12.662 -11.770 15.155 722 HZ3 LYS 92 HZ3 LYS 92 13.785 -12.613 14.314 723 HA PRO 93 HA PRO 93 17.845 -13.434 6.910 724 HB2 PRO 93 HB2 PRO 93 18.602 -11.367 5.291 725 HB3 PRO 93 HB3 PRO 93 17.201 -12.370 4.972 726 HG2 PRO 93 HG2 PRO 93 17.302 -9.604 6.009 727 HG3 PRO 93 HG3 PRO 93 15.951 -10.459 5.292 728 HD2 PRO 93 HD2 PRO 93 16.365 -9.934 8.081 729 HD3 PRO 93 HD3 PRO 93 15.076 -10.887 7.374 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -19.018 -12.669 5.147 2 HA MET 1 HA MET 1 -21.086 -11.629 6.827 3 HB2 MET 1 HB2 MET 1 -21.109 -13.998 7.697 4 HB3 MET 1 HB3 MET 1 -21.215 -13.946 5.948 5 HG2 MET 1 HG2 MET 1 -18.411 -13.991 6.791 6 HG3 MET 1 HG3 MET 1 -19.281 -15.332 7.507 7 HE1 MET 1 HE1 MET 1 -20.435 -17.538 5.291 8 HE2 MET 1 HE2 MET 1 -21.218 -16.258 6.250 9 HE3 MET 1 HE3 MET 1 -21.415 -16.292 4.481 10 H SER 2 H SER 2 -17.613 -12.044 6.919 11 HA SER 2 HA SER 2 -17.624 -10.970 9.578 12 HB2 SER 2 HB2 SER 2 -16.461 -13.690 8.896 13 HB3 SER 2 HB3 SER 2 -15.803 -12.741 10.214 14 HG SER 2 HG SER 2 -17.700 -12.911 11.361 15 H THR 3 H THR 3 -15.514 -12.489 7.026 16 HA THR 3 HA THR 3 -13.269 -10.910 7.536 17 HB THR 3 HB THR 3 -13.450 -13.085 6.200 18 HG1 THR 3 HG1 THR 3 -12.370 -10.699 4.871 19 HG21 THR 3 HG21 THR 3 -14.524 -11.100 4.134 20 HG22 THR 3 HG22 THR 3 -13.791 -12.661 3.692 21 HG23 THR 3 HG23 THR 3 -15.285 -12.621 4.659 22 H ASP 4 H ASP 4 -12.411 -9.038 6.592 23 HA ASP 4 HA ASP 4 -14.507 -7.321 5.566 24 HB2 ASP 4 HB2 ASP 4 -12.613 -6.904 7.522 25 HB3 ASP 4 HB3 ASP 4 -11.785 -6.223 6.136 26 H THR 5 H THR 5 -14.127 -6.086 3.574 27 HA THR 5 HA THR 5 -13.487 -5.939 1.441 28 HB THR 5 HB THR 5 -10.798 -6.102 2.894 29 HG1 THR 5 HG1 THR 5 -11.315 -3.950 3.171 30 HG21 THR 5 HG21 THR 5 -11.366 -5.979 0.027 31 HG22 THR 5 HG22 THR 5 -10.666 -4.439 0.581 32 HG23 THR 5 HG23 THR 5 -9.787 -5.963 0.848 33 H GLY 6 H GLY 6 -14.562 -7.955 0.905 34 HA2 GLY 6 HA2 GLY 6 -12.672 -10.177 0.444 35 HA3 GLY 6 HA3 GLY 6 -14.408 -10.326 0.635 36 H VAL 7 H VAL 7 -15.829 -9.864 -1.118 37 HA VAL 7 HA VAL 7 -14.438 -9.353 -3.658 38 HB VAL 7 HB VAL 7 -15.116 -11.656 -3.526 39 HG11 VAL 7 HG11 VAL 7 -16.787 -11.718 -1.859 40 HG12 VAL 7 HG12 VAL 7 -17.803 -10.530 -2.710 41 HG13 VAL 7 HG13 VAL 7 -17.620 -12.175 -3.364 42 HG21 VAL 7 HG21 VAL 7 -15.794 -11.669 -5.661 43 HG22 VAL 7 HG22 VAL 7 -17.320 -10.841 -5.268 44 HG23 VAL 7 HG23 VAL 7 -15.840 -9.893 -5.547 45 H SER 8 H SER 8 -15.070 -7.110 -2.379 46 HA SER 8 HA SER 8 -16.918 -5.928 -4.051 47 HB2 SER 8 HB2 SER 8 -18.094 -7.162 -1.690 48 HB3 SER 8 HB3 SER 8 -18.307 -5.424 -1.616 49 HG SER 8 HG SER 8 -18.824 -6.556 -4.145 50 H LEU 9 H LEU 9 -14.969 -4.586 -4.123 51 HA LEU 9 HA LEU 9 -14.986 -2.604 -1.998 52 HB2 LEU 9 HB2 LEU 9 -13.215 -4.566 -1.722 53 HB3 LEU 9 HB3 LEU 9 -12.317 -3.598 -2.874 54 HG LEU 9 HG LEU 9 -11.676 -3.119 -0.558 55 HD11 LEU 9 HD11 LEU 9 -11.939 -1.340 -2.536 56 HD12 LEU 9 HD12 LEU 9 -13.042 -0.599 -1.352 57 HD13 LEU 9 HD13 LEU 9 -11.344 -0.904 -0.916 58 HD21 LEU 9 HD21 LEU 9 -13.903 -1.561 0.326 59 HD22 LEU 9 HD22 LEU 9 -14.476 -3.194 -0.089 60 HD23 LEU 9 HD23 LEU 9 -13.155 -2.987 1.086 61 HA PRO 10 HA PRO 10 -14.776 -0.888 -6.161 62 HB2 PRO 10 HB2 PRO 10 -16.891 0.828 -5.939 63 HB3 PRO 10 HB3 PRO 10 -17.033 -0.785 -6.607 64 HG2 PRO 10 HG2 PRO 10 -17.896 0.206 -3.960 65 HG3 PRO 10 HG3 PRO 10 -18.393 -1.247 -4.803 66 HD2 PRO 10 HD2 PRO 10 -16.554 -1.082 -2.609 67 HD3 PRO 10 HD3 PRO 10 -16.963 -2.517 -3.528 68 H SER 11 H SER 11 -13.793 0.980 -6.921 69 HA SER 11 HA SER 11 -13.541 3.058 -4.941 70 HB2 SER 11 HB2 SER 11 -11.586 1.874 -4.332 71 HB3 SER 11 HB3 SER 11 -11.244 1.385 -5.980 72 HG SER 11 HG SER 11 -10.193 3.230 -6.351 73 H TYR 12 H TYR 12 -12.213 1.900 -8.134 74 HA TYR 12 HA TYR 12 -13.072 4.475 -9.265 75 HB2 TYR 12 HB2 TYR 12 -10.481 3.785 -8.766 76 HB3 TYR 12 HB3 TYR 12 -10.679 2.854 -10.237 77 HD1 TYR 12 HD1 TYR 12 -12.076 4.428 -12.113 78 HD2 TYR 12 HD2 TYR 12 -9.343 5.768 -9.107 79 HE1 TYR 12 HE1 TYR 12 -11.570 6.505 -13.489 80 HE2 TYR 12 HE2 TYR 12 -8.846 7.841 -10.493 81 HH TYR 12 HH TYR 12 -10.534 8.399 -13.568 82 H GLU 13 H GLU 13 -14.982 3.645 -10.192 83 HA GLU 13 HA GLU 13 -16.167 2.756 -11.783 84 HB2 GLU 13 HB2 GLU 13 -13.838 3.237 -13.091 85 HB3 GLU 13 HB3 GLU 13 -13.885 1.494 -13.263 86 HG2 GLU 13 HG2 GLU 13 -15.159 2.012 -15.113 87 HG3 GLU 13 HG3 GLU 13 -16.457 2.020 -13.935 88 H GLU 14 H GLU 14 -13.377 0.421 -11.591 89 HA GLU 14 HA GLU 14 -14.611 -1.372 -9.944 90 HB2 GLU 14 HB2 GLU 14 -15.973 -1.392 -12.359 91 HB3 GLU 14 HB3 GLU 14 -14.823 -2.693 -12.591 92 HG2 GLU 14 HG2 GLU 14 -15.936 -4.057 -11.150 93 HG3 GLU 14 HG3 GLU 14 -15.980 -2.825 -9.905 94 H ASP 15 H ASP 15 -12.988 -2.714 -9.230 95 HA ASP 15 HA ASP 15 -10.998 -3.558 -11.114 96 HB2 ASP 15 HB2 ASP 15 -9.195 -2.842 -9.339 97 HB3 ASP 15 HB3 ASP 15 -9.790 -1.651 -10.479 98 H GLN 16 H GLN 16 -11.162 -5.771 -10.670 99 HA GLN 16 HA GLN 16 -10.676 -6.572 -7.949 100 HB2 GLN 16 HB2 GLN 16 -13.296 -6.454 -8.753 101 HB3 GLN 16 HB3 GLN 16 -12.896 -8.089 -9.242 102 HG2 GLN 16 HG2 GLN 16 -12.483 -6.925 -6.446 103 HG3 GLN 16 HG3 GLN 16 -13.770 -8.021 -6.911 104 HE21 GLN 16 HE21 GLN 16 -13.453 -10.135 -6.851 105 HE22 GLN 16 HE22 GLN 16 -11.946 -10.940 -6.566 106 H GLY 17 H GLY 17 -11.534 -7.712 -11.293 107 HA2 GLY 17 HA2 GLY 17 -10.579 -10.199 -11.394 108 HA3 GLY 17 HA3 GLY 17 -10.325 -9.042 -12.686 109 H SER 18 H SER 18 -8.449 -7.290 -11.931 110 HA SER 18 HA SER 18 -6.111 -8.523 -12.234 111 HB2 SER 18 HB2 SER 18 -6.682 -5.996 -12.154 112 HB3 SER 18 HB3 SER 18 -6.377 -6.088 -10.431 113 HG SER 18 HG SER 18 -4.217 -6.631 -10.803 114 H LYS 19 H LYS 19 -7.622 -7.626 -9.053 115 HA LYS 19 HA LYS 19 -5.601 -8.582 -7.430 116 HB2 LYS 19 HB2 LYS 19 -8.551 -8.120 -7.078 117 HB3 LYS 19 HB3 LYS 19 -7.634 -8.889 -5.799 118 HG2 LYS 19 HG2 LYS 19 -6.722 -6.909 -5.168 119 HG3 LYS 19 HG3 LYS 19 -6.143 -6.597 -6.792 120 HD2 LYS 19 HD2 LYS 19 -7.842 -5.143 -7.232 121 HD3 LYS 19 HD3 LYS 19 -9.056 -6.248 -6.620 122 HE2 LYS 19 HE2 LYS 19 -9.205 -4.440 -5.108 123 HE3 LYS 19 HE3 LYS 19 -8.188 -5.573 -4.240 124 HZ1 LYS 19 HZ1 LYS 19 -6.583 -4.023 -4.231 125 HZ2 LYS 19 HZ2 LYS 19 -6.533 -3.979 -5.858 126 HZ3 LYS 19 HZ3 LYS 19 -7.574 -3.010 -5.050 127 H LEU 20 H LEU 20 -8.438 -10.271 -8.887 128 HA LEU 20 HA LEU 20 -8.051 -12.700 -7.590 129 HB2 LEU 20 HB2 LEU 20 -10.005 -11.787 -9.013 130 HB3 LEU 20 HB3 LEU 20 -9.126 -12.437 -10.382 131 HG LEU 20 HG LEU 20 -9.180 -14.688 -9.313 132 HD11 LEU 20 HD11 LEU 20 -9.493 -14.695 -7.095 133 HD12 LEU 20 HD12 LEU 20 -10.341 -13.130 -7.105 134 HD13 LEU 20 HD13 LEU 20 -11.225 -14.623 -7.500 135 HD21 LEU 20 HD21 LEU 20 -11.824 -14.830 -9.488 136 HD22 LEU 20 HD22 LEU 20 -11.621 -13.194 -10.158 137 HD23 LEU 20 HD23 LEU 20 -10.795 -14.575 -10.918 138 H ILE 21 H ILE 21 -6.386 -11.165 -10.318 139 HA ILE 21 HA ILE 21 -5.099 -13.621 -11.088 140 HB ILE 21 HB ILE 21 -4.717 -10.756 -11.963 141 HG12 ILE 21 HG12 ILE 21 -5.947 -12.896 -13.660 142 HG13 ILE 21 HG13 ILE 21 -6.924 -12.163 -12.403 143 HG21 ILE 21 HG21 ILE 21 -2.900 -11.367 -13.075 144 HG22 ILE 21 HG22 ILE 21 -2.992 -12.976 -12.318 145 HG23 ILE 21 HG23 ILE 21 -3.797 -12.678 -13.878 146 HD11 ILE 21 HD11 ILE 21 -7.286 -10.386 -13.754 147 HD12 ILE 21 HD12 ILE 21 -5.545 -10.020 -13.708 148 HD13 ILE 21 HD13 ILE 21 -6.198 -11.078 -14.982 149 H ARG 22 H ARG 22 -4.617 -10.983 -8.826 150 HA ARG 22 HA ARG 22 -2.890 -10.338 -7.645 151 HB2 ARG 22 HB2 ARG 22 -3.395 -13.199 -7.196 152 HB3 ARG 22 HB3 ARG 22 -1.740 -12.791 -6.790 153 HG2 ARG 22 HG2 ARG 22 -2.567 -10.912 -5.346 154 HG3 ARG 22 HG3 ARG 22 -4.219 -11.347 -5.737 155 HD2 ARG 22 HD2 ARG 22 -2.577 -13.624 -4.748 156 HD3 ARG 22 HD3 ARG 22 -2.787 -12.339 -3.576 157 HE ARG 22 HE ARG 22 -5.127 -12.755 -3.529 158 HH11 ARG 22 HH22 ARG 22 -3.551 -14.735 -6.009 159 HH12 ARG 22 HH21 ARG 22 -4.924 -15.765 -6.236 160 HH21 ARG 22 HH12 ARG 22 -6.904 -14.100 -3.834 161 HH22 ARG 22 HH11 ARG 22 -6.845 -15.395 -4.985 162 H LYS 23 H LYS 23 -1.618 -9.505 -9.515 163 HA LYS 23 HA LYS 23 0.150 -11.002 -10.996 164 HB2 LYS 23 HB2 LYS 23 -0.082 -8.116 -10.239 165 HB3 LYS 23 HB3 LYS 23 1.403 -8.652 -10.999 166 HG2 LYS 23 HG2 LYS 23 -0.351 -9.878 -12.663 167 HG3 LYS 23 HG3 LYS 23 -1.388 -8.574 -12.121 168 HD2 LYS 23 HD2 LYS 23 0.295 -6.896 -12.817 169 HD3 LYS 23 HD3 LYS 23 1.416 -8.166 -13.264 170 HE2 LYS 23 HE2 LYS 23 -0.924 -8.844 -14.669 171 HE3 LYS 23 HE3 LYS 23 -0.890 -7.094 -14.762 172 HZ1 LYS 23 HZ1 LYS 23 0.928 -7.158 -16.093 173 HZ2 LYS 23 HZ2 LYS 23 1.676 -8.334 -15.250 174 HZ3 LYS 23 HZ3 LYS 23 0.504 -8.721 -16.323 175 H ALA 24 H ALA 24 2.727 -10.266 -10.775 176 HA ALA 24 HA ALA 24 3.564 -11.755 -8.495 177 HB1 ALA 24 HB1 ALA 24 5.143 -12.165 -10.051 178 HB2 ALA 24 HB2 ALA 24 4.660 -10.748 -11.015 179 HB3 ALA 24 HB3 ALA 24 5.806 -10.558 -9.666 180 H LYS 25 H LYS 25 2.748 -10.503 -6.698 181 HA LYS 25 HA LYS 25 4.621 -8.714 -5.666 182 HB2 LYS 25 HB2 LYS 25 3.693 -7.187 -7.387 183 HB3 LYS 25 HB3 LYS 25 2.101 -7.362 -6.677 184 HG2 LYS 25 HG2 LYS 25 2.786 -6.311 -4.616 185 HG3 LYS 25 HG3 LYS 25 4.486 -6.452 -5.018 186 HD2 LYS 25 HD2 LYS 25 4.368 -4.349 -5.865 187 HD3 LYS 25 HD3 LYS 25 3.422 -5.009 -7.184 188 HE2 LYS 25 HE2 LYS 25 1.424 -4.210 -6.342 189 HE3 LYS 25 HE3 LYS 25 1.885 -4.496 -4.676 190 HZ1 LYS 25 HZ1 LYS 25 1.971 -2.070 -6.019 191 HZ2 LYS 25 HZ2 LYS 25 2.516 -2.361 -4.512 192 HZ3 LYS 25 HZ3 LYS 25 3.524 -2.532 -5.790 193 H GLU 26 H GLU 26 3.547 -11.075 -4.757 194 HA GLU 26 HA GLU 26 1.690 -10.125 -2.716 195 HB2 GLU 26 HB2 GLU 26 1.143 -12.076 -4.538 196 HB3 GLU 26 HB3 GLU 26 1.874 -13.058 -3.284 197 HG2 GLU 26 HG2 GLU 26 0.133 -11.273 -1.914 198 HG3 GLU 26 HG3 GLU 26 -0.761 -11.791 -3.328 199 H ALA 27 H ALA 27 3.864 -13.006 -3.186 200 HA ALA 27 HA ALA 27 4.557 -13.063 -0.448 201 HB1 ALA 27 HB1 ALA 27 6.493 -14.479 -1.930 202 HB2 ALA 27 HB2 ALA 27 5.024 -15.140 -1.173 203 HB3 ALA 27 HB3 ALA 27 4.989 -14.612 -2.873 204 HA PRO 28 HA PRO 28 8.535 -11.033 -1.996 205 HB2 PRO 28 HB2 PRO 28 8.742 -10.168 -4.580 206 HB3 PRO 28 HB3 PRO 28 9.336 -11.726 -4.041 207 HG2 PRO 28 HG2 PRO 28 6.915 -11.112 -5.622 208 HG3 PRO 28 HG3 PRO 28 7.746 -12.644 -5.437 209 HD2 PRO 28 HD2 PRO 28 5.302 -11.853 -4.161 210 HD3 PRO 28 HD3 PRO 28 6.194 -13.336 -3.889 211 H PHE 29 H PHE 29 8.832 -9.137 -1.018 212 HA PHE 29 HA PHE 29 6.745 -7.187 -1.500 213 HB2 PHE 29 HB2 PHE 29 7.623 -6.225 0.558 214 HB3 PHE 29 HB3 PHE 29 7.715 -7.960 0.791 215 HD1 PHE 29 HD2 PHE 29 9.682 -4.935 0.055 216 HD2 PHE 29 HD1 PHE 29 9.822 -9.066 1.016 217 HE1 PHE 29 HE2 PHE 29 12.137 -4.739 0.541 218 HE2 PHE 29 HE1 PHE 29 12.277 -8.870 1.502 219 HZ PHE 29 HZ PHE 29 13.405 -6.709 1.258 220 H VAL 30 H VAL 30 9.812 -7.968 -2.772 221 HA VAL 30 HA VAL 30 11.165 -5.622 -2.978 222 HB VAL 30 HB VAL 30 10.947 -8.132 -4.457 223 HG11 VAL 30 HG11 VAL 30 11.764 -5.609 -5.920 224 HG12 VAL 30 HG12 VAL 30 12.303 -7.232 -6.413 225 HG13 VAL 30 HG13 VAL 30 10.568 -6.832 -6.410 226 HG21 VAL 30 HG21 VAL 30 12.689 -7.499 -2.754 227 HG22 VAL 30 HG22 VAL 30 13.340 -8.096 -4.299 228 HG23 VAL 30 HG23 VAL 30 13.349 -6.352 -3.944 229 HA PRO 31 HA PRO 31 8.364 -4.395 -6.585 230 HB2 PRO 31 HB2 PRO 31 6.103 -5.831 -7.125 231 HB3 PRO 31 HB3 PRO 31 7.622 -6.084 -7.962 232 HG2 PRO 31 HG2 PRO 31 6.359 -7.748 -5.869 233 HG3 PRO 31 HG3 PRO 31 7.625 -8.181 -7.001 234 HD2 PRO 31 HD2 PRO 31 7.947 -7.563 -4.218 235 HD3 PRO 31 HD3 PRO 31 9.224 -7.883 -5.375 236 H VAL 32 H VAL 32 7.084 -5.471 -3.617 237 HA VAL 32 HA VAL 32 4.786 -3.808 -3.672 238 HB VAL 32 HB VAL 32 6.305 -5.136 -1.420 239 HG11 VAL 32 HG11 VAL 32 5.040 -3.944 -0.018 240 HG12 VAL 32 HG12 VAL 32 4.123 -3.225 -1.364 241 HG13 VAL 32 HG13 VAL 32 3.619 -4.788 -0.678 242 HG21 VAL 32 HG21 VAL 32 5.408 -6.719 -3.060 243 HG22 VAL 32 HG22 VAL 32 4.517 -6.825 -1.523 244 HG23 VAL 32 HG23 VAL 32 3.797 -5.978 -2.913 245 H GLY 33 H GLY 33 8.178 -3.482 -2.527 246 HA2 GLY 33 HA2 GLY 33 7.716 -0.916 -1.316 247 HA3 GLY 33 HA3 GLY 33 9.250 -1.725 -1.568 248 H ILE 34 H ILE 34 9.265 -2.157 -4.357 249 HA ILE 34 HA ILE 34 10.062 0.371 -5.262 250 HB ILE 34 HB ILE 34 9.563 -2.251 -6.665 251 HG12 ILE 34 HG12 ILE 34 12.091 -0.865 -5.727 252 HG13 ILE 34 HG13 ILE 34 11.365 -2.295 -5.023 253 HG21 ILE 34 HG21 ILE 34 9.878 0.352 -7.829 254 HG22 ILE 34 HG22 ILE 34 11.318 -0.632 -8.182 255 HG23 ILE 34 HG23 ILE 34 9.701 -1.229 -8.626 256 HD11 ILE 34 HD11 ILE 34 12.398 -3.627 -6.534 257 HD12 ILE 34 HD12 ILE 34 11.699 -2.700 -7.883 258 HD13 ILE 34 HD13 ILE 34 13.241 -2.188 -7.156 259 H ALA 35 H ALA 35 7.231 -1.702 -6.216 260 HA ALA 35 HA ALA 35 6.075 0.307 -7.806 261 HB1 ALA 35 HB1 ALA 35 4.525 -1.904 -6.449 262 HB2 ALA 35 HB2 ALA 35 4.325 -1.231 -8.084 263 HB3 ALA 35 HB3 ALA 35 5.715 -2.282 -7.718 264 H GLY 36 H GLY 36 5.733 -0.659 -4.355 265 HA2 GLY 36 HA2 GLY 36 3.517 0.877 -3.687 266 HA3 GLY 36 HA3 GLY 36 4.810 0.401 -2.604 267 H PHE 37 H PHE 37 7.042 1.734 -3.758 268 HA PHE 37 HA PHE 37 6.681 4.300 -2.689 269 HB2 PHE 37 HB2 PHE 37 8.800 2.795 -3.003 270 HB3 PHE 37 HB3 PHE 37 8.794 3.296 -4.682 271 HD1 PHE 37 HD1 PHE 37 9.005 5.790 -5.184 272 HD2 PHE 37 HD2 PHE 37 9.809 4.133 -1.361 273 HE1 PHE 37 HE1 PHE 37 10.337 7.830 -4.580 274 HE2 PHE 37 HE2 PHE 37 11.140 6.173 -0.757 275 HZ PHE 37 HZ PHE 37 11.389 7.997 -2.374 276 H ALA 38 H ALA 38 6.970 3.088 -6.095 277 HA ALA 38 HA ALA 38 6.905 5.566 -7.333 278 HB1 ALA 38 HB1 ALA 38 6.537 4.335 -9.315 279 HB2 ALA 38 HB2 ALA 38 7.395 3.193 -8.252 280 HB3 ALA 38 HB3 ALA 38 5.632 3.061 -8.463 281 H ALA 39 H ALA 39 4.156 3.236 -6.811 282 HA ALA 39 HA ALA 39 2.164 4.916 -7.707 283 HB1 ALA 39 HB1 ALA 39 2.434 2.388 -6.377 284 HB2 ALA 39 HB2 ALA 39 1.177 3.328 -5.538 285 HB3 ALA 39 HB3 ALA 39 1.040 3.020 -7.286 286 H ILE 40 H ILE 40 3.159 4.318 -4.256 287 HA ILE 40 HA ILE 40 1.580 6.073 -2.995 288 HB ILE 40 HB ILE 40 4.448 5.308 -2.554 289 HG12 ILE 40 HG12 ILE 40 2.039 4.687 -0.844 290 HG13 ILE 40 HG13 ILE 40 2.424 3.732 -2.262 291 HG21 ILE 40 HG21 ILE 40 3.839 6.312 -0.154 292 HG22 ILE 40 HG22 ILE 40 4.644 7.266 -1.423 293 HG23 ILE 40 HG23 ILE 40 2.890 7.429 -1.165 294 HD11 ILE 40 HD11 ILE 40 4.866 3.671 -1.188 295 HD12 ILE 40 HD12 ILE 40 3.972 4.028 0.310 296 HD13 ILE 40 HD13 ILE 40 3.598 2.557 -0.622 297 H VAL 41 H VAL 41 4.754 6.917 -4.546 298 HA VAL 41 HA VAL 41 4.759 9.589 -3.988 299 HB VAL 41 HB VAL 41 5.769 7.940 -6.286 300 HG11 VAL 41 HG11 VAL 41 6.022 10.944 -5.956 301 HG12 VAL 41 HG12 VAL 41 7.095 9.967 -6.988 302 HG13 VAL 41 HG13 VAL 41 5.352 10.048 -7.341 303 HG21 VAL 41 HG21 VAL 41 6.678 8.382 -3.702 304 HG22 VAL 41 HG22 VAL 41 7.635 7.746 -5.061 305 HG23 VAL 41 HG23 VAL 41 7.670 9.485 -4.686 306 H ALA 42 H ALA 42 3.413 8.023 -6.986 307 HA ALA 42 HA ALA 42 2.364 10.262 -8.137 308 HB1 ALA 42 HB1 ALA 42 1.043 7.524 -8.088 309 HB2 ALA 42 HB2 ALA 42 0.966 8.746 -9.380 310 HB3 ALA 42 HB3 ALA 42 2.496 7.899 -9.046 311 H TYR 43 H TYR 43 0.579 7.955 -5.958 312 HA TYR 43 HA TYR 43 -1.788 9.134 -5.728 313 HB2 TYR 43 HB2 TYR 43 0.022 7.480 -4.172 314 HB3 TYR 43 HB3 TYR 43 -0.670 8.639 -3.055 315 HD1 TYR 43 HD2 TYR 43 -3.377 8.953 -3.511 316 HD2 TYR 43 HD1 TYR 43 -1.058 5.439 -4.272 317 HE1 TYR 43 HE2 TYR 43 -5.473 7.524 -3.337 318 HE2 TYR 43 HE1 TYR 43 -3.162 4.021 -4.095 319 HH TYR 43 HH TYR 43 -5.545 4.300 -4.367 320 H GLY 44 H GLY 44 1.008 10.072 -3.590 321 HA2 GLY 44 HA2 GLY 44 -0.199 12.205 -2.324 322 HA3 GLY 44 HA3 GLY 44 1.521 12.029 -2.612 323 H LEU 45 H LEU 45 2.010 12.347 -5.220 324 HA LEU 45 HA LEU 45 1.938 14.983 -5.719 325 HB2 LEU 45 HB2 LEU 45 3.161 13.155 -6.938 326 HB3 LEU 45 HB3 LEU 45 1.695 12.865 -7.855 327 HG LEU 45 HG LEU 45 1.908 15.470 -8.363 328 HD11 LEU 45 HD11 LEU 45 4.806 15.011 -8.512 329 HD12 LEU 45 HD12 LEU 45 3.888 16.462 -8.041 330 HD13 LEU 45 HD13 LEU 45 4.174 15.166 -6.855 331 HD21 LEU 45 HD21 LEU 45 3.308 13.161 -9.706 332 HD22 LEU 45 HD22 LEU 45 1.781 13.963 -10.150 333 HD23 LEU 45 HD23 LEU 45 3.331 14.805 -10.388 334 H TYR 46 H TYR 46 -0.564 12.576 -6.758 335 HA TYR 46 HA TYR 46 -2.202 14.512 -7.991 336 HB2 TYR 46 HB2 TYR 46 -2.239 12.028 -8.396 337 HB3 TYR 46 HB3 TYR 46 -2.647 11.742 -6.716 338 HD1 TYR 46 HD1 TYR 46 -4.920 12.275 -5.866 339 HD2 TYR 46 HD2 TYR 46 -3.922 12.681 -10.006 340 HE1 TYR 46 HE1 TYR 46 -7.391 12.346 -6.462 341 HE2 TYR 46 HE2 TYR 46 -6.396 12.750 -10.588 342 HH TYR 46 HH TYR 46 -8.821 13.017 -8.120 343 H LYS 47 H LYS 47 -2.226 12.955 -4.720 344 HA LYS 47 HA LYS 47 -4.583 14.090 -3.827 345 HB2 LYS 47 HB2 LYS 47 -2.837 12.308 -2.831 346 HB3 LYS 47 HB3 LYS 47 -2.342 13.706 -1.898 347 HG2 LYS 47 HG2 LYS 47 -4.113 13.371 -0.525 348 HG3 LYS 47 HG3 LYS 47 -5.184 13.760 -1.856 349 HD2 LYS 47 HD2 LYS 47 -5.781 11.577 -2.169 350 HD3 LYS 47 HD3 LYS 47 -4.126 11.012 -2.052 351 HE2 LYS 47 HE2 LYS 47 -4.841 10.089 -0.075 352 HE3 LYS 47 HE3 LYS 47 -4.551 11.695 0.563 353 HZ1 LYS 47 HZ1 LYS 47 -6.909 12.219 0.085 354 HZ2 LYS 47 HZ2 LYS 47 -7.165 10.698 -0.436 355 HZ3 LYS 47 HZ3 LYS 47 -6.723 10.962 1.116 356 H LEU 48 H LEU 48 -1.186 15.328 -3.661 357 HA LEU 48 HA LEU 48 -1.508 17.540 -2.174 358 HB2 LEU 48 HB2 LEU 48 0.457 16.530 -3.690 359 HB3 LEU 48 HB3 LEU 48 0.000 17.880 -4.709 360 HG LEU 48 HG LEU 48 0.586 18.286 -1.780 361 HD11 LEU 48 HD11 LEU 48 2.445 17.183 -3.513 362 HD12 LEU 48 HD12 LEU 48 2.819 18.923 -3.544 363 HD13 LEU 48 HD13 LEU 48 2.790 18.047 -1.995 364 HD21 LEU 48 HD21 LEU 48 0.165 20.410 -2.247 365 HD22 LEU 48 HD22 LEU 48 1.449 20.411 -3.480 366 HD23 LEU 48 HD23 LEU 48 -0.216 19.967 -3.928 367 H LYS 49 H LYS 49 -1.929 17.548 -5.789 368 HA LYS 49 HA LYS 49 -2.926 20.058 -6.039 369 HB2 LYS 49 HB2 LYS 49 -2.502 17.939 -7.704 370 HB3 LYS 49 HB3 LYS 49 -4.253 18.010 -7.716 371 HG2 LYS 49 HG2 LYS 49 -3.709 20.672 -7.974 372 HG3 LYS 49 HG3 LYS 49 -2.261 20.019 -8.714 373 HD2 LYS 49 HD2 LYS 49 -3.697 18.607 -10.227 374 HD3 LYS 49 HD3 LYS 49 -5.128 19.322 -9.511 375 HE2 LYS 49 HE2 LYS 49 -4.747 21.426 -10.493 376 HE3 LYS 49 HE3 LYS 49 -3.016 21.180 -10.611 377 HZ1 LYS 49 HZ1 LYS 49 -3.977 20.963 -12.792 378 HZ2 LYS 49 HZ2 LYS 49 -3.498 19.471 -12.348 379 HZ3 LYS 49 HZ3 LYS 49 -5.078 19.885 -12.239 380 H SER 50 H SER 50 -4.848 21.130 -5.688 381 HA SER 50 HA SER 50 -6.772 19.604 -4.148 382 HB2 SER 50 HB2 SER 50 -5.935 21.633 -3.075 383 HB3 SER 50 HB3 SER 50 -6.325 22.600 -4.484 384 HG SER 50 HG SER 50 -8.531 21.185 -3.526 385 H ARG 51 H ARG 51 -7.593 18.533 -6.159 386 HA ARG 51 HA ARG 51 -9.821 19.927 -7.122 387 HB2 ARG 51 HB2 ARG 51 -8.119 20.981 -8.604 388 HB3 ARG 51 HB3 ARG 51 -7.553 19.401 -9.109 389 HG2 ARG 51 HG2 ARG 51 -10.481 19.788 -9.446 390 HG3 ARG 51 HG3 ARG 51 -9.509 20.885 -10.406 391 HD2 ARG 51 HD2 ARG 51 -9.306 19.181 -11.907 392 HD3 ARG 51 HD3 ARG 51 -8.193 18.445 -10.770 393 HE ARG 51 HE ARG 51 -10.878 17.804 -9.982 394 HH11 ARG 51 HH22 ARG 51 -8.525 17.025 -12.514 395 HH12 ARG 51 HH21 ARG 51 -9.188 15.455 -12.820 396 HH21 ARG 51 HH12 ARG 51 -11.729 15.763 -10.391 397 HH22 ARG 51 HH11 ARG 51 -11.025 14.737 -11.599 398 H GLY 52 H GLY 52 -10.937 18.040 -6.408 399 HA2 GLY 52 HA2 GLY 52 -12.015 16.119 -7.207 400 HA3 GLY 52 HA3 GLY 52 -10.601 15.703 -8.155 401 H ASN 53 H ASN 53 -12.348 14.900 -5.404 402 HA ASN 53 HA ASN 53 -11.975 13.730 -3.613 403 HB2 ASN 53 HB2 ASN 53 -10.437 12.512 -5.728 404 HB3 ASN 53 HB3 ASN 53 -9.489 12.367 -4.262 405 HD21 ASN 53 HD21 ASN 53 -10.069 10.065 -4.976 406 HD22 ASN 53 HD22 ASN 53 -11.449 9.342 -4.219 407 H THR 54 H THR 54 -11.371 15.294 -2.024 408 HA THR 54 HA THR 54 -8.483 15.505 -1.541 409 HB THR 54 HB THR 54 -9.119 17.981 -0.888 410 HG1 THR 54 HG1 THR 54 -11.169 17.156 -2.820 411 HG21 THR 54 HG21 THR 54 -9.211 17.087 -3.819 412 HG22 THR 54 HG22 THR 54 -8.944 18.757 -3.265 413 HG23 THR 54 HG23 THR 54 -7.737 17.498 -2.910 414 H LYS 55 H LYS 55 -8.012 14.699 0.395 415 HA LYS 55 HA LYS 55 -9.587 15.463 2.654 416 HB2 LYS 55 HB2 LYS 55 -10.089 12.893 1.342 417 HB3 LYS 55 HB3 LYS 55 -9.630 12.710 3.023 418 HG2 LYS 55 HG2 LYS 55 -11.365 14.474 3.623 419 HG3 LYS 55 HG3 LYS 55 -11.880 14.472 1.948 420 HD2 LYS 55 HD2 LYS 55 -11.709 11.763 3.173 421 HD3 LYS 55 HD3 LYS 55 -12.899 12.812 3.917 422 HE2 LYS 55 HE2 LYS 55 -13.153 13.163 1.078 423 HE3 LYS 55 HE3 LYS 55 -13.043 11.438 1.365 424 HZ1 LYS 55 HZ1 LYS 55 -15.014 13.310 2.543 425 HZ2 LYS 55 HZ2 LYS 55 -15.319 12.014 1.605 426 HZ3 LYS 55 HZ3 LYS 55 -14.743 11.804 3.122 427 H MET 56 H MET 56 -7.151 16.322 2.359 428 HA MET 56 HA MET 56 -5.740 15.012 4.394 429 HB2 MET 56 HB2 MET 56 -5.296 13.990 1.774 430 HB3 MET 56 HB3 MET 56 -3.923 15.038 2.067 431 HG2 MET 56 HG2 MET 56 -4.154 13.668 4.492 432 HG3 MET 56 HG3 MET 56 -4.609 12.442 3.325 433 HE1 MET 56 HE1 MET 56 -0.673 12.423 4.518 434 HE2 MET 56 HE2 MET 56 -2.189 12.832 5.356 435 HE3 MET 56 HE3 MET 56 -2.055 11.302 4.457 436 H SER 57 H SER 57 -4.338 16.471 5.379 437 HA SER 57 HA SER 57 -2.993 18.453 3.990 438 HB2 SER 57 HB2 SER 57 -5.298 19.412 3.739 439 HB3 SER 57 HB3 SER 57 -5.457 19.456 5.484 440 HG SER 57 HG SER 57 -4.788 21.519 4.632 441 H ILE 58 H ILE 58 -1.271 17.767 5.337 442 HA ILE 58 HA ILE 58 -1.457 17.314 8.056 443 HB ILE 58 HB ILE 58 0.865 18.189 6.339 444 HG12 ILE 58 HG12 ILE 58 -0.290 16.034 5.763 445 HG13 ILE 58 HG13 ILE 58 1.411 15.888 6.156 446 HG21 ILE 58 HG21 ILE 58 0.695 17.562 9.250 447 HG22 ILE 58 HG22 ILE 58 2.094 16.946 8.339 448 HG23 ILE 58 HG23 ILE 58 1.754 18.693 8.375 449 HD11 ILE 58 HD11 ILE 58 0.905 14.405 7.785 450 HD12 ILE 58 HD12 ILE 58 -0.050 15.653 8.620 451 HD13 ILE 58 HD13 ILE 58 -0.827 14.593 7.420 452 H HIS 59 H HIS 59 -0.167 20.288 6.399 453 HA HIS 59 HA HIS 59 -0.376 22.418 6.945 454 HB2 HIS 59 HB2 HIS 59 -2.694 21.551 7.884 455 HB3 HIS 59 HB3 HIS 59 -1.951 21.876 9.437 456 HD1 HIS 59 HD1 HIS 59 -3.446 23.894 9.998 457 HD2 HIS 59 HD2 HIS 59 -1.343 24.313 6.393 458 HE1 HIS 59 HE1 HIS 59 -3.729 26.328 9.284 459 H LEU 60 H LEU 60 1.932 22.269 7.297 460 HA LEU 60 HA LEU 60 2.653 23.067 9.925 461 HB2 LEU 60 HB2 LEU 60 2.818 20.259 9.268 462 HB3 LEU 60 HB3 LEU 60 4.416 20.912 9.569 463 HG LEU 60 HG LEU 60 2.200 21.486 11.514 464 HD11 LEU 60 HD11 LEU 60 2.214 19.445 12.516 465 HD12 LEU 60 HD12 LEU 60 2.514 18.929 10.839 466 HD13 LEU 60 HD13 LEU 60 3.870 19.064 11.985 467 HD21 LEU 60 HD21 LEU 60 4.226 22.693 11.887 468 HD22 LEU 60 HD22 LEU 60 4.124 21.412 13.119 469 HD23 LEU 60 HD23 LEU 60 5.208 21.218 11.720 470 H ILE 61 H ILE 61 4.676 21.224 7.594 471 HA ILE 61 HA ILE 61 5.697 23.758 6.569 472 HB ILE 61 HB ILE 61 7.311 21.622 7.946 473 HG12 ILE 61 HG12 ILE 61 6.271 23.573 9.225 474 HG13 ILE 61 HG13 ILE 61 7.989 23.296 9.431 475 HG21 ILE 61 HG21 ILE 61 9.242 23.246 7.153 476 HG22 ILE 61 HG22 ILE 61 8.687 21.891 6.142 477 HG23 ILE 61 HG23 ILE 61 8.117 23.544 5.806 478 HD11 ILE 61 HD11 ILE 61 8.409 25.030 7.608 479 HD12 ILE 61 HD12 ILE 61 6.669 25.398 7.660 480 HD13 ILE 61 HD13 ILE 61 7.680 25.673 9.099 481 H HIS 62 H HIS 62 5.958 20.138 6.425 482 HA HIS 62 HA HIS 62 5.686 20.416 3.528 483 HB2 HIS 62 HB2 HIS 62 7.297 18.506 3.295 484 HB3 HIS 62 HB3 HIS 62 8.001 20.027 3.808 485 HD1 HIS 62 HD1 HIS 62 8.467 16.646 4.467 486 HD2 HIS 62 HD2 HIS 62 7.859 19.946 6.985 487 HE1 HIS 62 HE1 HIS 62 9.376 15.977 6.755 488 H MET 63 H MET 63 3.646 19.651 3.183 489 HA MET 63 HA MET 63 2.847 17.333 4.739 490 HB2 MET 63 HB2 MET 63 0.548 17.947 3.971 491 HB3 MET 63 HB3 MET 63 1.334 19.329 4.706 492 HG2 MET 63 HG2 MET 63 1.162 20.524 2.780 493 HG3 MET 63 HG3 MET 63 1.990 19.274 1.874 494 HE1 MET 63 HE1 MET 63 -2.508 19.907 2.347 495 HE2 MET 63 HE2 MET 63 -1.300 20.211 3.619 496 HE3 MET 63 HE3 MET 63 -1.279 21.174 2.122 497 H ARG 64 H ARG 64 4.411 16.024 3.347 498 HA ARG 64 HA ARG 64 2.909 14.717 1.383 499 HB2 ARG 64 HB2 ARG 64 3.626 16.618 -0.033 500 HB3 ARG 64 HB3 ARG 64 5.298 16.375 0.432 501 HG2 ARG 64 HG2 ARG 64 4.630 13.853 -0.495 502 HG3 ARG 64 HG3 ARG 64 3.640 14.866 -1.527 503 HD2 ARG 64 HD2 ARG 64 6.097 16.214 -1.513 504 HD3 ARG 64 HD3 ARG 64 6.580 14.529 -1.493 505 HE ARG 64 HE ARG 64 5.187 15.929 -3.671 506 HH11 ARG 64 HH22 ARG 64 6.001 12.770 -2.290 507 HH12 ARG 64 HH21 ARG 64 5.775 11.920 -3.782 508 HH21 ARG 64 HH12 ARG 64 4.897 14.814 -5.603 509 HH22 ARG 64 HH11 ARG 64 5.142 13.100 -5.679 510 H VAL 65 H VAL 65 6.458 15.447 1.794 511 HA VAL 65 HA VAL 65 7.178 12.727 1.664 512 HB VAL 65 HB VAL 65 8.586 15.250 2.527 513 HG11 VAL 65 HG11 VAL 65 10.695 13.954 2.487 514 HG12 VAL 65 HG12 VAL 65 9.594 13.420 3.780 515 HG13 VAL 65 HG13 VAL 65 9.754 12.456 2.292 516 HG21 VAL 65 HG21 VAL 65 8.319 15.348 0.222 517 HG22 VAL 65 HG22 VAL 65 9.914 14.573 0.378 518 HG23 VAL 65 HG23 VAL 65 8.477 13.586 0.021 519 H ALA 66 H ALA 66 6.955 15.084 4.419 520 HA ALA 66 HA ALA 66 7.715 13.416 6.439 521 HB1 ALA 66 HB1 ALA 66 6.268 15.916 6.103 522 HB2 ALA 66 HB2 ALA 66 5.590 14.972 7.451 523 HB3 ALA 66 HB3 ALA 66 7.320 15.391 7.439 524 H ALA 67 H ALA 67 4.294 14.008 5.339 525 HA ALA 67 HA ALA 67 3.112 12.102 6.924 526 HB1 ALA 67 HB1 ALA 67 2.343 12.941 4.099 527 HB2 ALA 67 HB2 ALA 67 1.263 12.232 5.323 528 HB3 ALA 67 HB3 ALA 67 1.958 13.851 5.580 529 H GLN 68 H GLN 68 5.048 11.758 3.970 530 HA GLN 68 HA GLN 68 4.173 9.155 3.390 531 HB2 GLN 68 HB2 GLN 68 5.428 10.913 1.898 532 HB3 GLN 68 HB3 GLN 68 6.888 10.257 2.611 533 HG2 GLN 68 HG2 GLN 68 6.683 8.875 0.742 534 HG3 GLN 68 HG3 GLN 68 5.838 7.911 1.937 535 HE21 GLN 68 HE21 GLN 68 5.547 10.027 -0.816 536 HE22 GLN 68 HE22 GLN 68 3.898 9.688 -1.222 537 H GLY 69 H GLY 69 6.824 10.561 5.362 538 HA2 GLY 69 HA2 GLY 69 8.237 8.164 5.826 539 HA3 GLY 69 HA3 GLY 69 8.298 9.631 6.784 540 H PHE 70 H PHE 70 5.681 9.918 7.725 541 HA PHE 70 HA PHE 70 5.666 8.137 9.861 542 HB2 PHE 70 HB2 PHE 70 4.629 10.394 9.878 543 HB3 PHE 70 HB3 PHE 70 3.578 9.967 8.542 544 HD1 PHE 70 HD1 PHE 70 1.767 8.242 8.931 545 HD2 PHE 70 HD2 PHE 70 3.980 9.981 12.107 546 HE1 PHE 70 HE1 PHE 70 -0.014 7.542 10.555 547 HE2 PHE 70 HE2 PHE 70 2.199 9.281 13.731 548 HZ PHE 70 HZ PHE 70 0.223 8.070 12.936 549 H VAL 71 H VAL 71 3.357 8.381 7.054 550 HA VAL 71 HA VAL 71 1.841 6.181 7.676 551 HB VAL 71 HB VAL 71 2.573 7.601 5.141 552 HG11 VAL 71 HG11 VAL 71 0.927 5.066 5.359 553 HG12 VAL 71 HG12 VAL 71 0.795 6.202 3.994 554 HG13 VAL 71 HG13 VAL 71 2.339 5.377 4.320 555 HG21 VAL 71 HG21 VAL 71 0.190 8.212 5.178 556 HG22 VAL 71 HG22 VAL 71 -0.041 7.230 6.644 557 HG23 VAL 71 HG23 VAL 71 1.004 8.669 6.693 558 H VAL 72 H VAL 72 4.726 6.325 5.465 559 HA VAL 72 HA VAL 72 4.906 3.736 4.760 560 HB VAL 72 HB VAL 72 6.904 5.871 5.362 561 HG11 VAL 72 HG11 VAL 72 8.091 3.913 6.130 562 HG12 VAL 72 HG12 VAL 72 7.616 3.001 4.677 563 HG13 VAL 72 HG13 VAL 72 8.732 4.381 4.536 564 HG21 VAL 72 HG21 VAL 72 7.361 5.661 2.958 565 HG22 VAL 72 HG22 VAL 72 6.221 4.298 2.855 566 HG23 VAL 72 HG23 VAL 72 5.628 5.925 3.266 567 H GLY 73 H GLY 73 6.491 5.129 7.726 568 HA2 GLY 73 HA2 GLY 73 7.482 2.868 8.848 569 HA3 GLY 73 HA3 GLY 73 6.820 4.209 9.761 570 H ALA 74 H ALA 74 4.095 4.139 9.228 571 HA ALA 74 HA ALA 74 3.218 2.124 10.925 572 HB1 ALA 74 HB1 ALA 74 0.939 2.828 9.748 573 HB2 ALA 74 HB2 ALA 74 1.804 3.957 10.819 574 HB3 ALA 74 HB3 ALA 74 1.959 4.110 9.052 575 H MET 75 H MET 75 3.201 2.380 7.316 576 HA MET 75 HA MET 75 1.770 0.159 6.746 577 HB2 MET 75 HB2 MET 75 3.401 2.000 5.377 578 HB3 MET 75 HB3 MET 75 4.211 0.477 5.070 579 HG2 MET 75 HG2 MET 75 1.205 0.632 4.723 580 HG3 MET 75 HG3 MET 75 2.238 1.303 3.477 581 HE1 MET 75 HE1 MET 75 3.579 -0.090 1.765 582 HE2 MET 75 HE2 MET 75 2.772 -1.621 1.349 583 HE3 MET 75 HE3 MET 75 1.811 -0.138 1.565 584 H THR 76 H THR 76 5.402 0.302 7.013 585 HA THR 76 HA THR 76 5.872 -2.399 6.737 586 HB THR 76 HB THR 76 8.025 -1.817 7.916 587 HG1 THR 76 HG1 THR 76 7.248 -0.377 9.519 588 HG21 THR 76 HG21 THR 76 7.232 0.636 6.305 589 HG22 THR 76 HG22 THR 76 8.804 -0.198 6.359 590 HG23 THR 76 HG23 THR 76 7.435 -0.933 5.491 591 H VAL 77 H VAL 77 5.082 -0.545 9.730 592 HA VAL 77 HA VAL 77 5.448 -2.593 11.529 593 HB VAL 77 HB VAL 77 3.652 -0.191 11.403 594 HG11 VAL 77 HG11 VAL 77 2.405 -1.884 12.678 595 HG12 VAL 77 HG12 VAL 77 3.819 -2.138 13.729 596 HG13 VAL 77 HG13 VAL 77 2.979 -0.569 13.731 597 HG21 VAL 77 HG21 VAL 77 5.553 0.759 12.098 598 HG22 VAL 77 HG22 VAL 77 5.317 -0.090 13.645 599 HG23 VAL 77 HG23 VAL 77 6.325 -0.822 12.373 600 H GLY 78 H GLY 78 2.517 -1.743 9.577 601 HA2 GLY 78 HA2 GLY 78 0.795 -3.668 10.591 602 HA3 GLY 78 HA3 GLY 78 0.732 -2.971 8.985 603 H MET 79 H MET 79 3.047 -3.851 7.738 604 HA MET 79 HA MET 79 2.378 -6.328 6.889 605 HB2 MET 79 HB2 MET 79 4.054 -4.633 5.902 606 HB3 MET 79 HB3 MET 79 5.232 -5.216 7.061 607 HG2 MET 79 HG2 MET 79 3.803 -7.160 5.210 608 HG3 MET 79 HG3 MET 79 5.203 -6.267 4.650 609 HE1 MET 79 HE1 MET 79 5.150 -10.098 6.623 610 HE2 MET 79 HE2 MET 79 3.998 -9.196 5.609 611 HE3 MET 79 HE3 MET 79 5.567 -9.704 4.938 612 H GLY 80 H GLY 80 4.872 -5.468 9.383 613 HA2 GLY 80 HA2 GLY 80 5.749 -8.065 9.918 614 HA3 GLY 80 HA3 GLY 80 5.842 -6.689 10.999 615 H TYR 81 H TYR 81 3.002 -6.129 11.245 616 HA TYR 81 HA TYR 81 2.370 -8.075 13.229 617 HB2 TYR 81 HB2 TYR 81 1.892 -5.446 12.902 618 HB3 TYR 81 HB3 TYR 81 0.518 -5.991 11.962 619 HD1 TYR 81 HD1 TYR 81 -1.284 -7.359 13.070 620 HD2 TYR 81 HD2 TYR 81 1.862 -5.500 15.295 621 HE1 TYR 81 HE1 TYR 81 -2.640 -7.603 15.207 622 HE2 TYR 81 HE2 TYR 81 0.495 -5.750 17.424 623 HH TYR 81 HH TYR 81 -2.369 -7.673 17.510 624 H SER 82 H SER 82 1.905 -7.897 9.817 625 HA SER 82 HA SER 82 -0.512 -8.716 9.241 626 HB2 SER 82 HB2 SER 82 1.217 -8.579 7.544 627 HB3 SER 82 HB3 SER 82 2.110 -9.909 8.254 628 HG SER 82 HG SER 82 -0.594 -10.322 7.381 629 H MET 83 H MET 83 -1.692 -10.771 9.083 630 HA MET 83 HA MET 83 -1.755 -12.216 11.347 631 HB2 MET 83 HB2 MET 83 -3.054 -13.881 10.007 632 HB3 MET 83 HB3 MET 83 -3.484 -12.248 9.537 633 HG2 MET 83 HG2 MET 83 -1.202 -13.197 7.961 634 HG3 MET 83 HG3 MET 83 -2.539 -14.323 7.840 635 HE1 MET 83 HE1 MET 83 -5.150 -12.955 7.935 636 HE2 MET 83 HE2 MET 83 -5.390 -12.356 6.276 637 HE3 MET 83 HE3 MET 83 -4.650 -13.952 6.548 638 H TYR 84 H TYR 84 -1.483 -14.823 11.327 639 HA TYR 84 HA TYR 84 -0.110 -16.568 11.331 640 HB2 TYR 84 HB2 TYR 84 0.167 -15.408 8.814 641 HB3 TYR 84 HB3 TYR 84 1.815 -15.272 9.394 642 HD1 TYR 84 HD2 TYR 84 2.370 -17.705 10.817 643 HD2 TYR 84 HD1 TYR 84 -0.012 -17.156 7.305 644 HE1 TYR 84 HE2 TYR 84 2.801 -20.117 10.139 645 HE2 TYR 84 HE1 TYR 84 0.428 -19.570 6.639 646 HH TYR 84 HH TYR 84 2.293 -21.252 7.103 647 H ARG 85 H ARG 85 1.961 -13.640 10.698 648 HA ARG 85 HA ARG 85 3.580 -12.755 11.824 649 HB2 ARG 85 HB2 ARG 85 1.966 -13.967 13.921 650 HB3 ARG 85 HB3 ARG 85 3.656 -14.095 14.366 651 HG2 ARG 85 HG2 ARG 85 3.807 -11.564 13.666 652 HG3 ARG 85 HG3 ARG 85 2.058 -11.581 13.765 653 HD2 ARG 85 HD2 ARG 85 2.983 -12.881 16.136 654 HD3 ARG 85 HD3 ARG 85 4.008 -11.474 15.931 655 HE ARG 85 HE ARG 85 1.201 -10.831 15.500 656 HH11 ARG 85 HH22 ARG 85 3.645 -11.323 18.018 657 HH12 ARG 85 HH21 ARG 85 2.820 -10.345 19.185 658 HH21 ARG 85 HH12 ARG 85 0.140 -9.562 17.025 659 HH22 ARG 85 HH11 ARG 85 0.810 -9.337 18.608 660 H GLU 86 H GLU 86 5.734 -13.405 13.177 661 HA GLU 86 HA GLU 86 7.561 -14.573 13.279 662 HB2 GLU 86 HB2 GLU 86 5.792 -16.376 14.100 663 HB3 GLU 86 HB3 GLU 86 6.174 -17.167 12.584 664 HG2 GLU 86 HG2 GLU 86 8.683 -16.851 13.290 665 HG3 GLU 86 HG3 GLU 86 8.048 -16.536 14.892 666 H PHE 87 H PHE 87 8.899 -13.998 11.610 667 HA PHE 87 HA PHE 87 8.403 -15.332 9.040 668 HB2 PHE 87 HB2 PHE 87 9.711 -13.158 8.250 669 HB3 PHE 87 HB3 PHE 87 8.019 -12.992 8.678 670 HD1 PHE 87 HD1 PHE 87 7.499 -12.279 11.111 671 HD2 PHE 87 HD2 PHE 87 11.312 -11.832 9.302 672 HE1 PHE 87 HE1 PHE 87 8.099 -10.529 12.808 673 HE2 PHE 87 HE2 PHE 87 11.912 -10.083 10.999 674 HZ PHE 87 HZ PHE 87 10.299 -9.452 12.731 675 H TRP 88 H TRP 88 10.519 -15.331 7.643 676 HA TRP 88 HA TRP 88 12.354 -16.971 8.751 677 HB2 TRP 88 HB2 TRP 88 12.546 -14.979 6.509 678 HB3 TRP 88 HB3 TRP 88 13.933 -15.946 6.969 679 HD1 TRP 88 HD1 TRP 88 10.506 -16.284 5.277 680 HE1 TRP 88 HE1 TRP 88 10.236 -18.629 4.097 681 HE3 TRP 88 HE3 TRP 88 14.746 -18.328 7.201 682 HZ2 TRP 88 HZ2 TRP 88 11.791 -21.022 4.101 683 HZ3 TRP 88 HZ3 TRP 88 15.297 -20.674 6.562 684 HH2 TRP 88 HH2 TRP 88 13.899 -22.012 5.069 685 H ALA 89 H ALA 89 12.670 -13.359 8.392 686 HA ALA 89 HA ALA 89 13.891 -11.873 9.488 687 HB1 ALA 89 HB1 ALA 89 14.253 -12.789 12.063 688 HB2 ALA 89 HB2 ALA 89 12.797 -11.954 11.472 689 HB3 ALA 89 HB3 ALA 89 12.842 -13.733 11.530 690 H LYS 90 H LYS 90 15.721 -12.363 8.065 691 HA LYS 90 HA LYS 90 17.834 -12.857 7.657 692 HB2 LYS 90 HB2 LYS 90 17.866 -11.577 9.999 693 HB3 LYS 90 HB3 LYS 90 18.512 -13.107 10.558 694 HG2 LYS 90 HG2 LYS 90 20.466 -11.974 9.910 695 HG3 LYS 90 HG3 LYS 90 20.123 -12.933 8.484 696 HD2 LYS 90 HD2 LYS 90 18.649 -10.700 7.898 697 HD3 LYS 90 HD3 LYS 90 19.904 -9.972 8.882 698 HE2 LYS 90 HE2 LYS 90 20.829 -11.934 6.809 699 HE3 LYS 90 HE3 LYS 90 20.176 -10.425 6.203 700 HZ1 LYS 90 HZ1 LYS 90 21.748 -9.324 7.867 701 HZ2 LYS 90 HZ2 LYS 90 22.483 -10.769 8.024 702 HZ3 LYS 90 HZ3 LYS 90 22.408 -10.049 6.557 703 HA PRO 91 HA PRO 91 17.278 -17.254 8.075 704 HB2 PRO 91 HB2 PRO 91 17.810 -17.881 5.469 705 HB3 PRO 91 HB3 PRO 91 16.196 -17.549 6.065 706 HG2 PRO 91 HG2 PRO 91 17.959 -15.828 4.431 707 HG3 PRO 91 HG3 PRO 91 16.228 -15.708 4.675 708 HD2 PRO 91 HD2 PRO 91 18.249 -14.076 5.891 709 HD3 PRO 91 HD3 PRO 91 16.528 -14.034 6.222 710 H LYS 92 H LYS 92 19.874 -15.471 6.591 711 HA LYS 92 HA LYS 92 21.699 -17.337 7.892 712 HB2 LYS 92 HB2 LYS 92 21.215 -17.708 5.275 713 HB3 LYS 92 HB3 LYS 92 22.437 -16.460 5.140 714 HG2 LYS 92 HG2 LYS 92 23.468 -18.190 7.110 715 HG3 LYS 92 HG3 LYS 92 22.728 -19.277 5.952 716 HD2 LYS 92 HD2 LYS 92 24.111 -17.283 4.426 717 HD3 LYS 92 HD3 LYS 92 25.201 -17.771 5.708 718 HE2 LYS 92 HE2 LYS 92 24.132 -20.212 4.850 719 HE3 LYS 92 HE3 LYS 92 24.262 -19.304 3.357 720 HZ1 LYS 92 HZ1 LYS 92 26.359 -20.421 4.919 721 HZ2 LYS 92 HZ2 LYS 92 26.441 -19.798 3.416 722 HZ3 LYS 92 HZ3 LYS 92 26.567 -18.810 4.714 723 HA PRO 93 HA PRO 93 22.813 -13.113 8.792 724 HB2 PRO 93 HB2 PRO 93 23.473 -13.515 11.413 725 HB3 PRO 93 HB3 PRO 93 21.868 -13.043 10.890 726 HG2 PRO 93 HG2 PRO 93 22.812 -15.687 11.817 727 HG3 PRO 93 HG3 PRO 93 21.170 -15.087 11.701 728 HD2 PRO 93 HD2 PRO 93 22.460 -16.914 9.905 729 HD3 PRO 93 HD3 PRO 93 20.860 -16.224 9.727 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -23.066 -7.283 1.509 2 HA MET 1 HA MET 1 -22.080 -9.661 2.852 3 HB2 MET 1 HB2 MET 1 -20.923 -7.735 0.775 4 HB3 MET 1 HB3 MET 1 -19.909 -8.916 1.579 5 HG2 MET 1 HG2 MET 1 -22.466 -9.681 0.095 6 HG3 MET 1 HG3 MET 1 -20.897 -9.641 -0.684 7 HE1 MET 1 HE1 MET 1 -23.393 -11.232 1.203 8 HE2 MET 1 HE2 MET 1 -22.945 -12.607 0.166 9 HE3 MET 1 HE3 MET 1 -22.742 -12.720 1.930 10 H SER 2 H SER 2 -20.599 -9.569 4.570 11 HA SER 2 HA SER 2 -20.169 -6.873 5.586 12 HB2 SER 2 HB2 SER 2 -19.795 -8.125 7.810 13 HB3 SER 2 HB3 SER 2 -21.436 -8.060 7.200 14 HG SER 2 HG SER 2 -19.642 -10.269 7.352 15 H THR 3 H THR 3 -18.700 -9.947 4.596 16 HA THR 3 HA THR 3 -16.055 -8.733 5.028 17 HB THR 3 HB THR 3 -17.078 -11.523 5.724 18 HG1 THR 3 HG1 THR 3 -16.323 -10.762 7.755 19 HG21 THR 3 HG21 THR 3 -14.943 -11.938 4.598 20 HG22 THR 3 HG22 THR 3 -14.204 -10.525 5.388 21 HG23 THR 3 HG23 THR 3 -14.638 -11.958 6.352 22 H ASP 4 H ASP 4 -14.711 -8.734 3.310 23 HA ASP 4 HA ASP 4 -15.459 -10.487 1.118 24 HB2 ASP 4 HB2 ASP 4 -14.612 -7.571 0.795 25 HB3 ASP 4 HB3 ASP 4 -15.059 -8.666 -0.498 26 H THR 5 H THR 5 -13.569 -11.726 2.059 27 HA THR 5 HA THR 5 -11.015 -10.519 1.227 28 HB THR 5 HB THR 5 -10.052 -11.788 3.234 29 HG1 THR 5 HG1 THR 5 -11.853 -12.330 4.787 30 HG21 THR 5 HG21 THR 5 -10.834 -9.283 3.317 31 HG22 THR 5 HG22 THR 5 -12.269 -9.914 4.160 32 HG23 THR 5 HG23 THR 5 -10.650 -10.142 4.865 33 H GLY 6 H GLY 6 -10.666 -11.509 -0.696 34 HA2 GLY 6 HA2 GLY 6 -9.507 -13.568 -1.407 35 HA3 GLY 6 HA3 GLY 6 -10.822 -14.465 -0.673 36 H VAL 7 H VAL 7 -12.724 -14.829 -1.819 37 HA VAL 7 HA VAL 7 -12.742 -13.725 -4.531 38 HB VAL 7 HB VAL 7 -12.706 -16.052 -4.613 39 HG11 VAL 7 HG11 VAL 7 -14.626 -15.972 -2.280 40 HG12 VAL 7 HG12 VAL 7 -14.408 -17.437 -3.268 41 HG13 VAL 7 HG13 VAL 7 -13.025 -16.743 -2.387 42 HG21 VAL 7 HG21 VAL 7 -14.777 -14.725 -5.701 43 HG22 VAL 7 HG22 VAL 7 -14.538 -16.478 -5.897 44 HG23 VAL 7 HG23 VAL 7 -15.678 -15.866 -4.675 45 H SER 8 H SER 8 -13.438 -11.672 -3.192 46 HA SER 8 HA SER 8 -16.240 -11.486 -3.591 47 HB2 SER 8 HB2 SER 8 -15.079 -11.527 -0.804 48 HB3 SER 8 HB3 SER 8 -16.432 -10.463 -1.134 49 HG SER 8 HG SER 8 -16.838 -13.013 -2.177 50 H LEU 9 H LEU 9 -13.483 -9.930 -1.785 51 HA LEU 9 HA LEU 9 -12.631 -7.895 -1.861 52 HB2 LEU 9 HB2 LEU 9 -13.033 -8.684 -4.546 53 HB3 LEU 9 HB3 LEU 9 -13.475 -6.991 -4.452 54 HG LEU 9 HG LEU 9 -11.146 -6.883 -3.105 55 HD11 LEU 9 HD11 LEU 9 -10.091 -8.663 -5.156 56 HD12 LEU 9 HD12 LEU 9 -9.724 -8.568 -3.416 57 HD13 LEU 9 HD13 LEU 9 -11.121 -9.516 -3.981 58 HD21 LEU 9 HD21 LEU 9 -10.581 -6.868 -5.957 59 HD22 LEU 9 HD22 LEU 9 -12.116 -6.050 -5.577 60 HD23 LEU 9 HD23 LEU 9 -10.609 -5.528 -4.785 61 HA PRO 10 HA PRO 10 -15.799 -5.178 -0.765 62 HB2 PRO 10 HB2 PRO 10 -14.450 -2.808 -0.575 63 HB3 PRO 10 HB3 PRO 10 -14.419 -4.032 0.679 64 HG2 PRO 10 HG2 PRO 10 -12.320 -3.333 -1.282 65 HG3 PRO 10 HG3 PRO 10 -12.167 -4.227 0.218 66 HD2 PRO 10 HD2 PRO 10 -12.193 -5.316 -2.435 67 HD3 PRO 10 HD3 PRO 10 -12.157 -6.217 -0.933 68 H SER 11 H SER 11 -16.294 -5.859 -3.245 69 HA SER 11 HA SER 11 -17.821 -3.966 -4.234 70 HB2 SER 11 HB2 SER 11 -14.974 -3.310 -4.867 71 HB3 SER 11 HB3 SER 11 -16.099 -3.172 -6.204 72 HG SER 11 HG SER 11 -16.185 -1.178 -5.235 73 H TYR 12 H TYR 12 -15.006 -5.290 -6.103 74 HA TYR 12 HA TYR 12 -14.922 -6.727 -7.795 75 HB2 TYR 12 HB2 TYR 12 -15.247 -8.365 -5.999 76 HB3 TYR 12 HB3 TYR 12 -16.937 -7.936 -5.824 77 HD1 TYR 12 HD2 TYR 12 -14.775 -9.051 -8.695 78 HD2 TYR 12 HD1 TYR 12 -18.362 -9.650 -6.440 79 HE1 TYR 12 HE2 TYR 12 -15.427 -10.971 -10.228 80 HE2 TYR 12 HE1 TYR 12 -19.002 -11.568 -7.981 81 HH TYR 12 HH TYR 12 -18.579 -12.440 -10.036 82 H GLU 13 H GLU 13 -15.754 -5.386 -9.473 83 HA GLU 13 HA GLU 13 -18.539 -5.995 -10.100 84 HB2 GLU 13 HB2 GLU 13 -17.186 -3.438 -9.828 85 HB3 GLU 13 HB3 GLU 13 -17.763 -3.617 -11.473 86 HG2 GLU 13 HG2 GLU 13 -19.956 -4.537 -10.110 87 HG3 GLU 13 HG3 GLU 13 -19.320 -3.416 -8.923 88 H GLU 14 H GLU 14 -15.484 -4.761 -11.661 89 HA GLU 14 HA GLU 14 -15.160 -6.919 -13.309 90 HB2 GLU 14 HB2 GLU 14 -17.401 -5.521 -14.169 91 HB3 GLU 14 HB3 GLU 14 -16.140 -4.840 -15.178 92 HG2 GLU 14 HG2 GLU 14 -15.624 -7.630 -15.162 93 HG3 GLU 14 HG3 GLU 14 -17.367 -7.499 -15.294 94 H ASP 15 H ASP 15 -12.976 -6.759 -13.550 95 HA ASP 15 HA ASP 15 -11.834 -4.635 -14.910 96 HB2 ASP 15 HB2 ASP 15 -12.313 -3.789 -12.395 97 HB3 ASP 15 HB3 ASP 15 -10.829 -4.660 -12.065 98 H GLN 16 H GLN 16 -11.761 -7.400 -15.222 99 HA GLN 16 HA GLN 16 -10.539 -9.214 -15.217 100 HB2 GLN 16 HB2 GLN 16 -8.775 -6.951 -15.921 101 HB3 GLN 16 HB3 GLN 16 -7.887 -8.369 -15.401 102 HG2 GLN 16 HG2 GLN 16 -8.135 -8.831 -17.679 103 HG3 GLN 16 HG3 GLN 16 -9.529 -9.670 -17.028 104 HE21 GLN 16 HE21 GLN 16 -11.589 -8.828 -17.262 105 HE22 GLN 16 HE22 GLN 16 -11.984 -7.595 -18.412 106 H GLY 17 H GLY 17 -11.296 -8.906 -12.663 107 HA2 GLY 17 HA2 GLY 17 -9.680 -8.404 -10.596 108 HA3 GLY 17 HA3 GLY 17 -10.750 -9.790 -10.644 109 H SER 18 H SER 18 -9.675 -11.568 -12.401 110 HA SER 18 HA SER 18 -7.794 -12.858 -11.033 111 HB2 SER 18 HB2 SER 18 -7.142 -13.911 -13.287 112 HB3 SER 18 HB3 SER 18 -8.836 -13.986 -12.847 113 HG SER 18 HG SER 18 -7.584 -12.599 -14.944 114 H LYS 19 H LYS 19 -7.187 -10.537 -13.764 115 HA LYS 19 HA LYS 19 -4.414 -10.714 -13.700 116 HB2 LYS 19 HB2 LYS 19 -6.249 -9.505 -15.294 117 HB3 LYS 19 HB3 LYS 19 -5.629 -8.109 -14.435 118 HG2 LYS 19 HG2 LYS 19 -3.303 -8.729 -15.052 119 HG3 LYS 19 HG3 LYS 19 -3.882 -10.177 -15.852 120 HD2 LYS 19 HD2 LYS 19 -5.377 -7.939 -16.897 121 HD3 LYS 19 HD3 LYS 19 -3.680 -7.504 -16.920 122 HE2 LYS 19 HE2 LYS 19 -3.095 -9.416 -18.269 123 HE3 LYS 19 HE3 LYS 19 -4.636 -10.196 -17.975 124 HZ1 LYS 19 HZ1 LYS 19 -3.995 -8.293 -19.980 125 HZ2 LYS 19 HZ2 LYS 19 -5.351 -9.184 -19.833 126 HZ3 LYS 19 HZ3 LYS 19 -5.223 -7.758 -19.042 127 H LEU 20 H LEU 20 -6.730 -8.662 -11.861 128 HA LEU 20 HA LEU 20 -4.821 -7.017 -10.675 129 HB2 LEU 20 HB2 LEU 20 -7.332 -6.746 -10.792 130 HB3 LEU 20 HB3 LEU 20 -7.445 -7.893 -9.472 131 HG LEU 20 HG LEU 20 -5.587 -5.681 -8.930 132 HD11 LEU 20 HD11 LEU 20 -6.818 -3.994 -9.695 133 HD12 LEU 20 HD12 LEU 20 -8.183 -5.067 -10.088 134 HD13 LEU 20 HD13 LEU 20 -8.012 -4.409 -8.443 135 HD21 LEU 20 HD21 LEU 20 -7.598 -7.334 -7.534 136 HD22 LEU 20 HD22 LEU 20 -6.015 -6.731 -6.988 137 HD23 LEU 20 HD23 LEU 20 -7.437 -5.662 -6.945 138 H ILE 21 H ILE 21 -5.746 -10.373 -10.108 139 HA ILE 21 HA ILE 21 -4.378 -10.391 -7.547 140 HB ILE 21 HB ILE 21 -5.822 -12.573 -9.057 141 HG12 ILE 21 HG12 ILE 21 -6.921 -11.346 -6.572 142 HG13 ILE 21 HG13 ILE 21 -7.016 -10.393 -8.039 143 HG21 ILE 21 HG21 ILE 21 -5.018 -14.016 -7.580 144 HG22 ILE 21 HG22 ILE 21 -4.020 -12.727 -6.866 145 HG23 ILE 21 HG23 ILE 21 -5.658 -13.033 -6.241 146 HD11 ILE 21 HD11 ILE 21 -8.965 -11.590 -8.321 147 HD12 ILE 21 HD12 ILE 21 -7.853 -12.781 -9.037 148 HD13 ILE 21 HD13 ILE 21 -8.384 -12.962 -7.347 149 H ARG 22 H ARG 22 -3.773 -10.902 -10.933 150 HA ARG 22 HA ARG 22 -1.784 -12.832 -10.669 151 HB2 ARG 22 HB2 ARG 22 -2.961 -12.200 -12.817 152 HB3 ARG 22 HB3 ARG 22 -2.092 -10.678 -12.822 153 HG2 ARG 22 HG2 ARG 22 -0.008 -11.707 -13.257 154 HG3 ARG 22 HG3 ARG 22 -0.518 -13.254 -12.613 155 HD2 ARG 22 HD2 ARG 22 -2.307 -12.785 -14.749 156 HD3 ARG 22 HD3 ARG 22 -0.766 -12.209 -15.353 157 HE ARG 22 HE ARG 22 -0.518 -14.790 -14.020 158 HH11 ARG 22 HH22 ARG 22 -1.392 -13.238 -17.083 159 HH12 ARG 22 HH21 ARG 22 -1.038 -14.640 -18.037 160 HH21 ARG 22 HH12 ARG 22 -0.061 -16.603 -15.271 161 HH22 ARG 22 HH11 ARG 22 -0.275 -16.567 -16.991 162 H LYS 23 H LYS 23 0.043 -12.513 -9.421 163 HA LYS 23 HA LYS 23 1.594 -10.110 -9.957 164 HB2 LYS 23 HB2 LYS 23 0.031 -10.429 -7.598 165 HB3 LYS 23 HB3 LYS 23 1.709 -10.627 -7.135 166 HG2 LYS 23 HG2 LYS 23 2.098 -8.488 -8.664 167 HG3 LYS 23 HG3 LYS 23 0.377 -8.241 -8.444 168 HD2 LYS 23 HD2 LYS 23 0.662 -8.265 -5.976 169 HD3 LYS 23 HD3 LYS 23 2.374 -8.595 -6.158 170 HE2 LYS 23 HE2 LYS 23 2.671 -6.337 -6.123 171 HE3 LYS 23 HE3 LYS 23 2.043 -6.336 -7.759 172 HZ1 LYS 23 HZ1 LYS 23 0.893 -4.920 -5.885 173 HZ2 LYS 23 HZ2 LYS 23 -0.017 -5.626 -7.036 174 HZ3 LYS 23 HZ3 LYS 23 0.147 -6.343 -5.575 175 H ALA 24 H ALA 24 3.807 -10.478 -9.936 176 HA ALA 24 HA ALA 24 4.678 -13.084 -10.283 177 HB1 ALA 24 HB1 ALA 24 6.130 -10.503 -9.591 178 HB2 ALA 24 HB2 ALA 24 6.963 -12.015 -10.026 179 HB3 ALA 24 HB3 ALA 24 5.891 -11.219 -11.203 180 H LYS 25 H LYS 25 5.371 -14.690 -8.922 181 HA LYS 25 HA LYS 25 5.700 -15.796 -7.041 182 HB2 LYS 25 HB2 LYS 25 7.090 -13.200 -6.518 183 HB3 LYS 25 HB3 LYS 25 6.895 -14.310 -5.177 184 HG2 LYS 25 HG2 LYS 25 7.714 -15.925 -7.373 185 HG3 LYS 25 HG3 LYS 25 8.710 -14.486 -7.462 186 HD2 LYS 25 HD2 LYS 25 9.337 -14.775 -5.052 187 HD3 LYS 25 HD3 LYS 25 8.347 -16.219 -4.971 188 HE2 LYS 25 HE2 LYS 25 10.111 -17.436 -5.711 189 HE3 LYS 25 HE3 LYS 25 10.029 -16.585 -7.241 190 HZ1 LYS 25 HZ1 LYS 25 11.434 -14.820 -6.197 191 HZ2 LYS 25 HZ2 LYS 25 11.603 -15.747 -4.868 192 HZ3 LYS 25 HZ3 LYS 25 12.152 -16.286 -6.312 193 H GLU 26 H GLU 26 5.439 -15.285 -4.327 194 HA GLU 26 HA GLU 26 2.613 -14.983 -4.199 195 HB2 GLU 26 HB2 GLU 26 4.626 -16.308 -2.690 196 HB3 GLU 26 HB3 GLU 26 3.916 -15.138 -1.596 197 HG2 GLU 26 HG2 GLU 26 1.730 -16.061 -1.816 198 HG3 GLU 26 HG3 GLU 26 2.123 -16.883 -3.313 199 H ALA 27 H ALA 27 3.331 -12.584 -5.118 200 HA ALA 27 HA ALA 27 3.602 -10.398 -4.708 201 HB1 ALA 27 HB1 ALA 27 1.345 -11.458 -3.077 202 HB2 ALA 27 HB2 ALA 27 1.869 -9.798 -2.705 203 HB3 ALA 27 HB3 ALA 27 1.352 -10.219 -4.355 204 HA PRO 28 HA PRO 28 6.463 -10.799 -1.239 205 HB2 PRO 28 HB2 PRO 28 8.726 -10.019 -2.558 206 HB3 PRO 28 HB3 PRO 28 8.256 -11.697 -2.372 207 HG2 PRO 28 HG2 PRO 28 8.084 -9.978 -4.771 208 HG3 PRO 28 HG3 PRO 28 8.027 -11.726 -4.667 209 HD2 PRO 28 HD2 PRO 28 5.804 -9.959 -5.069 210 HD3 PRO 28 HD3 PRO 28 5.736 -11.696 -4.849 211 H PHE 29 H PHE 29 8.440 -9.017 -0.739 212 HA PHE 29 HA PHE 29 6.810 -6.628 -0.477 213 HB2 PHE 29 HB2 PHE 29 8.694 -6.035 1.118 214 HB3 PHE 29 HB3 PHE 29 7.980 -7.588 1.502 215 HD1 PHE 29 HD2 PHE 29 9.210 -9.657 1.107 216 HD2 PHE 29 HD1 PHE 29 10.948 -5.886 0.231 217 HE1 PHE 29 HE2 PHE 29 11.474 -10.732 0.969 218 HE2 PHE 29 HE1 PHE 29 13.212 -6.961 0.092 219 HZ PHE 29 HZ PHE 29 13.448 -9.371 0.463 220 H VAL 30 H VAL 30 9.518 -7.909 -2.315 221 HA VAL 30 HA VAL 30 10.994 -5.682 -2.859 222 HB VAL 30 HB VAL 30 10.399 -8.256 -4.124 223 HG11 VAL 30 HG11 VAL 30 11.626 -7.538 -6.263 224 HG12 VAL 30 HG12 VAL 30 9.910 -7.090 -6.112 225 HG13 VAL 30 HG13 VAL 30 11.177 -5.874 -5.817 226 HG21 VAL 30 HG21 VAL 30 13.069 -7.309 -4.561 227 HG22 VAL 30 HG22 VAL 30 12.578 -6.889 -2.902 228 HG23 VAL 30 HG23 VAL 30 12.499 -8.580 -3.453 229 HA PRO 31 HA PRO 31 7.781 -4.508 -6.128 230 HB2 PRO 31 HB2 PRO 31 5.359 -5.774 -6.184 231 HB3 PRO 31 HB3 PRO 31 6.703 -6.230 -7.212 232 HG2 PRO 31 HG2 PRO 31 5.662 -7.596 -4.806 233 HG3 PRO 31 HG3 PRO 31 6.697 -8.233 -6.068 234 HD2 PRO 31 HD2 PRO 31 7.500 -7.422 -3.437 235 HD3 PRO 31 HD3 PRO 31 8.550 -7.949 -4.737 236 H VAL 32 H VAL 32 6.915 -5.213 -2.912 237 HA VAL 32 HA VAL 32 4.780 -3.335 -2.791 238 HB VAL 32 HB VAL 32 6.466 -4.682 -0.673 239 HG11 VAL 32 HG11 VAL 32 5.581 -2.779 0.402 240 HG12 VAL 32 HG12 VAL 32 4.027 -2.907 -0.458 241 HG13 VAL 32 HG13 VAL 32 4.448 -4.093 0.801 242 HG21 VAL 32 HG21 VAL 32 3.603 -5.341 -1.339 243 HG22 VAL 32 HG22 VAL 32 4.937 -6.036 -2.290 244 HG23 VAL 32 HG23 VAL 32 4.838 -6.342 -0.540 245 H GLY 33 H GLY 33 8.316 -3.306 -2.143 246 HA2 GLY 33 HA2 GLY 33 8.306 -0.653 -1.058 247 HA3 GLY 33 HA3 GLY 33 9.693 -1.620 -1.516 248 H ILE 34 H ILE 34 9.378 -2.145 -4.201 249 HA ILE 34 HA ILE 34 10.151 0.259 -5.370 250 HB ILE 34 HB ILE 34 9.361 -2.439 -6.421 251 HG12 ILE 34 HG12 ILE 34 12.005 -0.960 -6.482 252 HG13 ILE 34 HG13 ILE 34 11.536 -2.075 -5.214 253 HG21 ILE 34 HG21 ILE 34 10.590 -1.148 -8.541 254 HG22 ILE 34 HG22 ILE 34 8.862 -1.551 -8.402 255 HG23 ILE 34 HG23 ILE 34 9.441 0.062 -7.920 256 HD11 ILE 34 HD11 ILE 34 11.183 -3.857 -6.980 257 HD12 ILE 34 HD12 ILE 34 11.837 -2.719 -8.181 258 HD13 ILE 34 HD13 ILE 34 12.866 -3.295 -6.848 259 H ALA 35 H ALA 35 7.074 -1.632 -5.805 260 HA ALA 35 HA ALA 35 5.832 0.363 -7.328 261 HB1 ALA 35 HB1 ALA 35 4.350 -1.599 -5.571 262 HB2 ALA 35 HB2 ALA 35 3.948 -1.028 -7.208 263 HB3 ALA 35 HB3 ALA 35 5.292 -2.171 -6.970 264 H GLY 36 H GLY 36 5.348 -0.573 -3.843 265 HA2 GLY 36 HA2 GLY 36 3.602 1.244 -2.975 266 HA3 GLY 36 HA3 GLY 36 5.014 0.781 -2.047 267 H PHE 37 H PHE 37 7.107 1.906 -3.626 268 HA PHE 37 HA PHE 37 6.990 4.569 -2.729 269 HB2 PHE 37 HB2 PHE 37 8.988 2.918 -3.161 270 HB3 PHE 37 HB3 PHE 37 8.810 3.311 -4.860 271 HD1 PHE 37 HD2 PHE 37 9.447 4.860 -1.543 272 HD2 PHE 37 HD1 PHE 37 9.864 5.197 -5.752 273 HE1 PHE 37 HE2 PHE 37 10.930 6.862 -1.236 274 HE2 PHE 37 HE1 PHE 37 11.347 7.199 -5.445 275 HZ PHE 37 HZ PHE 37 11.862 8.008 -3.190 276 H ALA 38 H ALA 38 7.053 3.136 -6.074 277 HA ALA 38 HA ALA 38 6.850 5.489 -7.472 278 HB1 ALA 38 HB1 ALA 38 5.733 3.977 -9.216 279 HB2 ALA 38 HB2 ALA 38 7.325 3.453 -8.618 280 HB3 ALA 38 HB3 ALA 38 5.844 2.675 -8.008 281 H ALA 39 H ALA 39 4.113 3.281 -6.526 282 HA ALA 39 HA ALA 39 2.072 4.911 -7.369 283 HB1 ALA 39 HB1 ALA 39 1.818 2.569 -6.654 284 HB2 ALA 39 HB2 ALA 39 2.180 3.031 -4.974 285 HB3 ALA 39 HB3 ALA 39 0.697 3.624 -5.760 286 H ILE 40 H ILE 40 3.467 4.688 -4.014 287 HA ILE 40 HA ILE 40 2.040 6.574 -2.764 288 HB ILE 40 HB ILE 40 4.903 5.747 -2.606 289 HG12 ILE 40 HG12 ILE 40 2.753 5.673 -0.484 290 HG13 ILE 40 HG13 ILE 40 2.884 4.433 -1.716 291 HG21 ILE 40 HG21 ILE 40 4.779 7.215 -0.380 292 HG22 ILE 40 HG22 ILE 40 5.415 7.849 -1.917 293 HG23 ILE 40 HG23 ILE 40 3.745 8.221 -1.423 294 HD11 ILE 40 HD11 ILE 40 4.266 4.451 0.694 295 HD12 ILE 40 HD12 ILE 40 4.711 3.487 -0.735 296 HD13 ILE 40 HD13 ILE 40 5.481 5.066 -0.452 297 H VAL 41 H VAL 41 4.946 7.224 -4.839 298 HA VAL 41 HA VAL 41 4.925 9.970 -4.570 299 HB VAL 41 HB VAL 41 5.786 8.134 -6.803 300 HG11 VAL 41 HG11 VAL 41 5.311 10.343 -7.763 301 HG12 VAL 41 HG12 VAL 41 6.340 11.109 -6.529 302 HG13 VAL 41 HG13 VAL 41 7.061 10.017 -7.736 303 HG21 VAL 41 HG21 VAL 41 6.845 8.400 -4.330 304 HG22 VAL 41 HG22 VAL 41 7.807 8.016 -5.777 305 HG23 VAL 41 HG23 VAL 41 7.728 9.691 -5.180 306 H ALA 42 H ALA 42 3.175 7.840 -6.910 307 HA ALA 42 HA ALA 42 2.052 9.870 -8.430 308 HB1 ALA 42 HB1 ALA 42 1.107 8.113 -9.494 309 HB2 ALA 42 HB2 ALA 42 2.030 7.096 -8.362 310 HB3 ALA 42 HB3 ALA 42 0.338 7.516 -8.004 311 H TYR 43 H TYR 43 0.549 8.005 -5.687 312 HA TYR 43 HA TYR 43 -1.784 9.361 -5.476 313 HB2 TYR 43 HB2 TYR 43 0.138 7.834 -3.792 314 HB3 TYR 43 HB3 TYR 43 -0.783 8.971 -2.827 315 HD1 TYR 43 HD2 TYR 43 -1.026 6.015 -5.039 316 HD2 TYR 43 HD1 TYR 43 -3.127 8.626 -2.379 317 HE1 TYR 43 HE2 TYR 43 -2.976 4.385 -4.967 318 HE2 TYR 43 HE1 TYR 43 -5.069 6.987 -2.317 319 HH TYR 43 HH TYR 43 -4.906 3.974 -3.019 320 H GLY 44 H GLY 44 1.256 10.202 -3.657 321 HA2 GLY 44 HA2 GLY 44 0.361 12.482 -2.412 322 HA3 GLY 44 HA3 GLY 44 2.016 12.180 -2.902 323 H LEU 45 H LEU 45 1.633 12.064 -5.771 324 HA LEU 45 HA LEU 45 1.789 14.791 -6.359 325 HB2 LEU 45 HB2 LEU 45 2.970 13.186 -7.657 326 HB3 LEU 45 HB3 LEU 45 1.500 12.324 -8.066 327 HG LEU 45 HG LEU 45 1.600 15.171 -8.904 328 HD11 LEU 45 HD11 LEU 45 3.943 14.221 -9.275 329 HD12 LEU 45 HD12 LEU 45 3.193 13.155 -10.487 330 HD13 LEU 45 HD13 LEU 45 3.111 14.922 -10.684 331 HD21 LEU 45 HD21 LEU 45 0.337 14.432 -10.732 332 HD22 LEU 45 HD22 LEU 45 0.885 12.748 -10.551 333 HD23 LEU 45 HD23 LEU 45 -0.241 13.449 -9.364 334 H TYR 46 H TYR 46 -0.842 12.353 -6.848 335 HA TYR 46 HA TYR 46 -2.601 14.217 -8.045 336 HB2 TYR 46 HB2 TYR 46 -2.371 11.475 -7.684 337 HB3 TYR 46 HB3 TYR 46 -3.543 11.834 -6.431 338 HD1 TYR 46 HD2 TYR 46 -5.467 13.592 -7.375 339 HD2 TYR 46 HD1 TYR 46 -3.274 10.728 -9.676 340 HE1 TYR 46 HE2 TYR 46 -7.324 13.554 -9.112 341 HE2 TYR 46 HE1 TYR 46 -5.138 10.700 -11.404 342 HH TYR 46 HH TYR 46 -7.463 11.169 -11.549 343 H LYS 47 H LYS 47 -2.108 13.008 -4.681 344 HA LYS 47 HA LYS 47 -4.376 14.150 -3.568 345 HB2 LYS 47 HB2 LYS 47 -1.839 12.995 -2.637 346 HB3 LYS 47 HB3 LYS 47 -2.482 14.216 -1.558 347 HG2 LYS 47 HG2 LYS 47 -4.592 13.050 -1.333 348 HG3 LYS 47 HG3 LYS 47 -4.225 11.978 -2.670 349 HD2 LYS 47 HD2 LYS 47 -3.794 10.662 -0.733 350 HD3 LYS 47 HD3 LYS 47 -2.204 11.157 -1.277 351 HE2 LYS 47 HE2 LYS 47 -1.938 12.726 0.470 352 HE3 LYS 47 HE3 LYS 47 -3.664 12.905 0.715 353 HZ1 LYS 47 HZ1 LYS 47 -1.924 10.713 1.629 354 HZ2 LYS 47 HZ2 LYS 47 -3.035 11.549 2.478 355 HZ3 LYS 47 HZ3 LYS 47 -3.518 10.453 1.362 356 H LEU 48 H LEU 48 -1.099 15.506 -4.206 357 HA LEU 48 HA LEU 48 -1.181 17.825 -2.857 358 HB2 LEU 48 HB2 LEU 48 0.413 16.752 -4.738 359 HB3 LEU 48 HB3 LEU 48 -0.330 18.021 -5.691 360 HG LEU 48 HG LEU 48 0.993 18.563 -3.027 361 HD11 LEU 48 HD11 LEU 48 2.398 17.506 -5.065 362 HD12 LEU 48 HD12 LEU 48 2.455 19.226 -5.521 363 HD13 LEU 48 HD13 LEU 48 3.060 18.707 -3.929 364 HD21 LEU 48 HD21 LEU 48 0.082 20.568 -3.338 365 HD22 LEU 48 HD22 LEU 48 1.217 20.782 -4.692 366 HD23 LEU 48 HD23 LEU 48 -0.425 20.165 -4.995 367 H LYS 49 H LYS 49 -2.484 17.465 -6.236 368 HA LYS 49 HA LYS 49 -3.657 19.942 -6.373 369 HB2 LYS 49 HB2 LYS 49 -3.322 18.011 -8.127 370 HB3 LYS 49 HB3 LYS 49 -4.944 17.548 -7.654 371 HG2 LYS 49 HG2 LYS 49 -5.702 19.117 -9.112 372 HG3 LYS 49 HG3 LYS 49 -5.152 20.327 -7.969 373 HD2 LYS 49 HD2 LYS 49 -3.299 20.876 -9.225 374 HD3 LYS 49 HD3 LYS 49 -3.006 19.219 -9.715 375 HE2 LYS 49 HE2 LYS 49 -5.508 20.106 -10.891 376 HE3 LYS 49 HE3 LYS 49 -4.275 21.305 -11.225 377 HZ1 LYS 49 HZ1 LYS 49 -4.447 19.338 -12.823 378 HZ2 LYS 49 HZ2 LYS 49 -2.946 19.700 -12.305 379 HZ3 LYS 49 HZ3 LYS 49 -3.765 18.459 -11.623 380 H SER 50 H SER 50 -5.431 20.912 -5.501 381 HA SER 50 HA SER 50 -6.781 19.466 -3.463 382 HB2 SER 50 HB2 SER 50 -7.419 22.251 -4.522 383 HB3 SER 50 HB3 SER 50 -7.860 21.594 -2.959 384 HG SER 50 HG SER 50 -5.113 21.457 -3.434 385 H ARG 51 H ARG 51 -9.123 19.101 -3.362 386 HA ARG 51 HA ARG 51 -11.041 18.482 -4.139 387 HB2 ARG 51 HB2 ARG 51 -10.375 20.531 -6.294 388 HB3 ARG 51 HB3 ARG 51 -11.875 19.627 -6.349 389 HG2 ARG 51 HG2 ARG 51 -11.632 20.562 -3.663 390 HG3 ARG 51 HG3 ARG 51 -11.177 21.914 -4.681 391 HD2 ARG 51 HD2 ARG 51 -13.364 22.292 -5.151 392 HD3 ARG 51 HD3 ARG 51 -13.471 20.717 -5.913 393 HE ARG 51 HE ARG 51 -14.525 21.429 -3.324 394 HH11 ARG 51 HH22 ARG 51 -13.007 18.728 -5.043 395 HH12 ARG 51 HH21 ARG 51 -13.731 17.519 -4.036 396 HH21 ARG 51 HH12 ARG 51 -15.458 19.848 -2.024 397 HH22 ARG 51 HH11 ARG 51 -15.136 18.168 -2.307 398 H GLY 52 H GLY 52 -11.131 16.346 -4.770 399 HA2 GLY 52 HA2 GLY 52 -11.148 15.440 -7.338 400 HA3 GLY 52 HA3 GLY 52 -9.458 15.347 -6.882 401 H ASN 53 H ASN 53 -12.668 14.681 -5.289 402 HA ASN 53 HA ASN 53 -13.264 13.098 -3.906 403 HB2 ASN 53 HB2 ASN 53 -12.965 12.002 -6.366 404 HB3 ASN 53 HB3 ASN 53 -11.775 11.025 -5.529 405 HD21 ASN 53 HD21 ASN 53 -13.084 9.209 -5.927 406 HD22 ASN 53 HD22 ASN 53 -14.475 8.846 -4.961 407 H THR 54 H THR 54 -11.948 13.588 -2.020 408 HA THR 54 HA THR 54 -9.748 11.695 -1.618 409 HB THR 54 HB THR 54 -8.607 13.759 -0.436 410 HG1 THR 54 HG1 THR 54 -10.472 14.899 -2.398 411 HG21 THR 54 HG21 THR 54 -8.907 13.479 -3.464 412 HG22 THR 54 HG22 THR 54 -7.835 14.694 -2.727 413 HG23 THR 54 HG23 THR 54 -7.535 12.961 -2.454 414 H LYS 55 H LYS 55 -9.119 11.602 0.770 415 HA LYS 55 HA LYS 55 -11.144 12.442 2.605 416 HB2 LYS 55 HB2 LYS 55 -12.322 10.542 1.673 417 HB3 LYS 55 HB3 LYS 55 -10.925 9.506 1.882 418 HG2 LYS 55 HG2 LYS 55 -11.737 8.975 3.934 419 HG3 LYS 55 HG3 LYS 55 -11.315 10.598 4.445 420 HD2 LYS 55 HD2 LYS 55 -13.757 10.922 3.059 421 HD3 LYS 55 HD3 LYS 55 -13.970 9.434 3.959 422 HE2 LYS 55 HE2 LYS 55 -13.946 10.504 5.999 423 HE3 LYS 55 HE3 LYS 55 -12.679 11.615 5.520 424 HZ1 LYS 55 HZ1 LYS 55 -15.467 12.069 5.523 425 HZ2 LYS 55 HZ2 LYS 55 -14.280 13.141 5.220 426 HZ3 LYS 55 HZ3 LYS 55 -14.878 12.224 4.004 427 H MET 56 H MET 56 -8.687 13.352 2.706 428 HA MET 56 HA MET 56 -7.729 12.430 5.120 429 HB2 MET 56 HB2 MET 56 -6.894 10.796 2.949 430 HB3 MET 56 HB3 MET 56 -5.515 11.835 3.252 431 HG2 MET 56 HG2 MET 56 -5.059 10.862 5.288 432 HG3 MET 56 HG3 MET 56 -6.751 10.742 5.727 433 HE1 MET 56 HE1 MET 56 -4.047 7.531 4.387 434 HE2 MET 56 HE2 MET 56 -3.997 8.891 3.240 435 HE3 MET 56 HE3 MET 56 -3.732 9.181 4.976 436 H SER 57 H SER 57 -7.233 14.452 5.867 437 HA SER 57 HA SER 57 -5.774 16.177 4.032 438 HB2 SER 57 HB2 SER 57 -6.675 18.055 5.208 439 HB3 SER 57 HB3 SER 57 -8.012 16.943 4.995 440 HG SER 57 HG SER 57 -6.966 16.191 7.297 441 H ILE 58 H ILE 58 -3.743 17.016 4.628 442 HA ILE 58 HA ILE 58 -2.139 15.602 6.301 443 HB ILE 58 HB ILE 58 -1.989 18.497 5.465 444 HG12 ILE 58 HG12 ILE 58 -2.049 16.847 3.631 445 HG13 ILE 58 HG13 ILE 58 -0.527 17.712 3.715 446 HG21 ILE 58 HG21 ILE 58 0.393 18.401 6.015 447 HG22 ILE 58 HG22 ILE 58 -0.618 18.153 7.459 448 HG23 ILE 58 HG23 ILE 58 0.180 16.764 6.683 449 HD11 ILE 58 HD11 ILE 58 0.616 15.776 3.978 450 HD12 ILE 58 HD12 ILE 58 -0.374 15.341 5.391 451 HD13 ILE 58 HD13 ILE 58 -0.915 14.895 3.755 452 H HIS 59 H HIS 59 -1.230 16.001 8.433 453 HA HIS 59 HA HIS 59 -3.007 16.213 10.414 454 HB2 HIS 59 HB2 HIS 59 -0.173 16.209 10.157 455 HB3 HIS 59 HB3 HIS 59 -0.580 17.463 11.311 456 HD1 HIS 59 HD1 HIS 59 -2.838 16.294 12.929 457 HD2 HIS 59 HD2 HIS 59 0.422 13.997 11.629 458 HE1 HIS 59 HE1 HIS 59 -2.713 14.281 14.492 459 H LEU 60 H LEU 60 -0.925 18.996 9.328 460 HA LEU 60 HA LEU 60 -3.175 20.762 9.747 461 HB2 LEU 60 HB2 LEU 60 -0.813 20.644 11.545 462 HB3 LEU 60 HB3 LEU 60 -1.373 22.234 11.069 463 HG LEU 60 HG LEU 60 -3.454 20.347 12.047 464 HD11 LEU 60 HD11 LEU 60 -2.052 21.718 14.244 465 HD12 LEU 60 HD12 LEU 60 -2.771 20.092 14.168 466 HD13 LEU 60 HD13 LEU 60 -1.146 20.379 13.499 467 HD21 LEU 60 HD21 LEU 60 -4.596 22.246 12.076 468 HD22 LEU 60 HD22 LEU 60 -3.507 22.874 13.336 469 HD23 LEU 60 HD23 LEU 60 -3.138 23.158 11.617 470 H ILE 61 H ILE 61 0.365 21.440 9.648 471 HA ILE 61 HA ILE 61 0.325 21.894 6.832 472 HB ILE 61 HB ILE 61 -0.881 23.878 7.616 473 HG12 ILE 61 HG12 ILE 61 0.769 25.581 6.611 474 HG13 ILE 61 HG13 ILE 61 1.864 24.228 6.408 475 HG21 ILE 61 HG21 ILE 61 -0.101 25.391 9.164 476 HG22 ILE 61 HG22 ILE 61 0.477 23.857 9.857 477 HG23 ILE 61 HG23 ILE 61 1.598 24.903 8.954 478 HD11 ILE 61 HD11 ILE 61 -0.828 24.698 5.109 479 HD12 ILE 61 HD12 ILE 61 0.719 24.245 4.355 480 HD13 ILE 61 HD13 ILE 61 -0.207 23.038 5.279 481 H HIS 62 H HIS 62 1.886 20.097 7.698 482 HA HIS 62 HA HIS 62 4.384 21.377 8.522 483 HB2 HIS 62 HB2 HIS 62 3.809 19.754 10.117 484 HB3 HIS 62 HB3 HIS 62 3.261 18.610 8.908 485 HD1 HIS 62 HD1 HIS 62 6.640 20.416 9.113 486 HD2 HIS 62 HD2 HIS 62 5.034 16.541 9.160 487 HE1 HIS 62 HE1 HIS 62 8.629 18.818 9.137 488 H MET 63 H MET 63 3.508 18.375 6.671 489 HA MET 63 HA MET 63 4.429 19.341 4.245 490 HB2 MET 63 HB2 MET 63 6.526 18.638 6.063 491 HB3 MET 63 HB3 MET 63 6.433 17.302 4.933 492 HG2 MET 63 HG2 MET 63 6.351 19.222 3.092 493 HG3 MET 63 HG3 MET 63 7.030 20.219 4.364 494 HE1 MET 63 HE1 MET 63 9.731 18.861 5.734 495 HE2 MET 63 HE2 MET 63 10.460 19.736 4.366 496 HE3 MET 63 HE3 MET 63 8.973 20.353 5.126 497 H ARG 64 H ARG 64 4.513 17.587 2.557 498 HA ARG 64 HA ARG 64 2.608 15.590 3.281 499 HB2 ARG 64 HB2 ARG 64 3.664 16.804 0.789 500 HB3 ARG 64 HB3 ARG 64 3.388 15.080 0.636 501 HG2 ARG 64 HG2 ARG 64 1.074 15.268 1.045 502 HG3 ARG 64 HG3 ARG 64 1.243 16.768 1.936 503 HD2 ARG 64 HD2 ARG 64 1.998 17.843 -0.303 504 HD3 ARG 64 HD3 ARG 64 1.443 16.374 -1.081 505 HE ARG 64 HE ARG 64 -0.756 17.097 -0.786 506 HH11 ARG 64 HH22 ARG 64 1.302 18.814 1.532 507 HH12 ARG 64 HH21 ARG 64 0.022 19.833 2.102 508 HH21 ARG 64 HH12 ARG 64 -2.409 18.427 -0.037 509 HH22 ARG 64 HH11 ARG 64 -2.104 19.605 1.198 510 H VAL 65 H VAL 65 5.836 15.585 1.577 511 HA VAL 65 HA VAL 65 6.335 12.956 1.458 512 HB VAL 65 HB VAL 65 8.200 15.217 2.192 513 HG11 VAL 65 HG11 VAL 65 10.064 13.861 1.756 514 HG12 VAL 65 HG12 VAL 65 9.009 12.828 2.750 515 HG13 VAL 65 HG13 VAL 65 9.082 12.592 0.987 516 HG21 VAL 65 HG21 VAL 65 8.029 13.893 -0.502 517 HG22 VAL 65 HG22 VAL 65 6.822 15.116 -0.039 518 HG23 VAL 65 HG23 VAL 65 8.551 15.540 -0.075 519 H ALA 66 H ALA 66 6.906 15.066 4.352 520 HA ALA 66 HA ALA 66 7.987 13.191 6.020 521 HB1 ALA 66 HB1 ALA 66 7.663 15.668 6.411 522 HB2 ALA 66 HB2 ALA 66 5.962 15.322 6.806 523 HB3 ALA 66 HB3 ALA 66 7.265 14.642 7.810 524 H ALA 67 H ALA 67 4.457 14.051 5.769 525 HA ALA 67 HA ALA 67 3.520 12.086 7.438 526 HB1 ALA 67 HB1 ALA 67 1.804 13.464 6.886 527 HB2 ALA 67 HB2 ALA 67 2.478 13.818 5.278 528 HB3 ALA 67 HB3 ALA 67 1.540 12.328 5.541 529 H GLN 68 H GLN 68 4.773 11.871 4.130 530 HA GLN 68 HA GLN 68 3.606 9.392 3.548 531 HB2 GLN 68 HB2 GLN 68 5.260 11.309 2.233 532 HB3 GLN 68 HB3 GLN 68 6.126 9.787 2.159 533 HG2 GLN 68 HG2 GLN 68 3.980 8.693 1.317 534 HG3 GLN 68 HG3 GLN 68 3.259 10.288 1.237 535 HE21 GLN 68 HE21 GLN 68 3.176 10.984 -0.748 536 HE22 GLN 68 HE22 GLN 68 4.402 10.853 -1.965 537 H GLY 69 H GLY 69 6.724 10.424 5.020 538 HA2 GLY 69 HA2 GLY 69 7.934 7.872 5.066 539 HA3 GLY 69 HA3 GLY 69 8.359 9.264 6.041 540 H PHE 70 H PHE 70 5.932 9.723 7.458 541 HA PHE 70 HA PHE 70 6.212 7.911 9.545 542 HB2 PHE 70 HB2 PHE 70 5.226 10.335 9.401 543 HB3 PHE 70 HB3 PHE 70 3.757 9.599 8.793 544 HD1 PHE 70 HD2 PHE 70 6.076 9.481 11.705 545 HD2 PHE 70 HD1 PHE 70 2.120 8.890 10.285 546 HE1 PHE 70 HE2 PHE 70 5.286 9.115 14.059 547 HE2 PHE 70 HE1 PHE 70 1.330 8.524 12.640 548 HZ PHE 70 HZ PHE 70 2.923 8.641 14.498 549 H VAL 71 H VAL 71 3.426 8.313 7.233 550 HA VAL 71 HA VAL 71 2.008 6.112 8.114 551 HB VAL 71 HB VAL 71 2.172 7.486 5.430 552 HG11 VAL 71 HG11 VAL 71 0.464 5.192 6.352 553 HG12 VAL 71 HG12 VAL 71 -0.215 6.400 5.234 554 HG13 VAL 71 HG13 VAL 71 1.235 5.477 4.773 555 HG21 VAL 71 HG21 VAL 71 -0.165 7.674 7.293 556 HG22 VAL 71 HG22 VAL 71 1.313 8.582 7.690 557 HG23 VAL 71 HG23 VAL 71 0.481 8.869 6.142 558 H VAL 72 H VAL 72 4.727 6.394 5.792 559 HA VAL 72 HA VAL 72 4.559 3.867 4.678 560 HB VAL 72 HB VAL 72 6.702 5.895 5.131 561 HG11 VAL 72 HG11 VAL 72 8.346 4.462 3.949 562 HG12 VAL 72 HG12 VAL 72 7.894 3.816 5.544 563 HG13 VAL 72 HG13 VAL 72 7.211 3.096 4.067 564 HG21 VAL 72 HG21 VAL 72 6.203 4.656 2.480 565 HG22 VAL 72 HG22 VAL 72 4.848 5.574 3.181 566 HG23 VAL 72 HG23 VAL 72 6.423 6.364 2.931 567 H GLY 73 H GLY 73 6.571 4.966 7.503 568 HA2 GLY 73 HA2 GLY 73 7.624 2.538 8.231 569 HA3 GLY 73 HA3 GLY 73 7.259 3.851 9.332 570 H ALA 74 H ALA 74 4.468 4.015 9.268 571 HA ALA 74 HA ALA 74 3.723 2.023 11.027 572 HB1 ALA 74 HB1 ALA 74 1.627 3.311 9.329 573 HB2 ALA 74 HB2 ALA 74 1.734 3.166 11.100 574 HB3 ALA 74 HB3 ALA 74 2.701 4.393 10.248 575 H MET 75 H MET 75 2.854 2.381 7.512 576 HA MET 75 HA MET 75 1.382 0.171 7.207 577 HB2 MET 75 HB2 MET 75 3.311 1.717 5.491 578 HB3 MET 75 HB3 MET 75 2.847 0.146 4.868 579 HG2 MET 75 HG2 MET 75 0.446 1.412 5.820 580 HG3 MET 75 HG3 MET 75 1.313 2.606 4.876 581 HE1 MET 75 HE1 MET 75 -1.562 0.277 4.171 582 HE2 MET 75 HE2 MET 75 -1.231 2.023 4.071 583 HE3 MET 75 HE3 MET 75 -1.455 1.074 2.583 584 H THR 76 H THR 76 5.000 0.306 6.821 585 HA THR 76 HA THR 76 5.428 -2.357 6.295 586 HB THR 76 HB THR 76 7.051 -0.223 7.764 587 HG1 THR 76 HG1 THR 76 8.111 -0.538 5.530 588 HG21 THR 76 HG21 THR 76 8.006 -2.422 8.399 589 HG22 THR 76 HG22 THR 76 7.917 -2.966 6.707 590 HG23 THR 76 HG23 THR 76 9.037 -1.660 7.163 591 H VAL 77 H VAL 77 5.219 -0.751 9.532 592 HA VAL 77 HA VAL 77 5.775 -2.966 11.056 593 HB VAL 77 HB VAL 77 3.966 -0.593 11.509 594 HG11 VAL 77 HG11 VAL 77 3.087 -1.972 13.125 595 HG12 VAL 77 HG12 VAL 77 4.582 -2.923 13.288 596 HG13 VAL 77 HG13 VAL 77 4.476 -1.301 14.013 597 HG21 VAL 77 HG21 VAL 77 6.856 -1.216 11.988 598 HG22 VAL 77 HG22 VAL 77 6.088 0.283 11.412 599 HG23 VAL 77 HG23 VAL 77 6.012 -0.150 13.137 600 H GLY 78 H GLY 78 2.593 -1.847 9.733 601 HA2 GLY 78 HA2 GLY 78 0.956 -3.762 10.853 602 HA3 GLY 78 HA3 GLY 78 0.700 -2.982 9.305 603 H MET 79 H MET 79 2.764 -3.897 7.698 604 HA MET 79 HA MET 79 1.851 -6.326 6.887 605 HB2 MET 79 HB2 MET 79 3.790 -4.440 6.093 606 HB3 MET 79 HB3 MET 79 4.747 -5.882 6.373 607 HG2 MET 79 HG2 MET 79 2.729 -7.027 4.971 608 HG3 MET 79 HG3 MET 79 2.587 -5.402 4.330 609 HE1 MET 79 HE1 MET 79 3.254 -8.216 3.204 610 HE2 MET 79 HE2 MET 79 3.527 -7.143 1.810 611 HE3 MET 79 HE3 MET 79 4.795 -8.286 2.315 612 H GLY 80 H GLY 80 4.782 -5.603 8.904 613 HA2 GLY 80 HA2 GLY 80 5.722 -8.200 9.186 614 HA3 GLY 80 HA3 GLY 80 5.962 -6.887 10.321 615 H TYR 81 H TYR 81 3.185 -6.395 11.020 616 HA TYR 81 HA TYR 81 2.886 -8.396 13.001 617 HB2 TYR 81 HB2 TYR 81 2.164 -5.773 12.611 618 HB3 TYR 81 HB3 TYR 81 0.676 -6.524 12.073 619 HD1 TYR 81 HD1 TYR 81 -0.769 -7.737 13.648 620 HD2 TYR 81 HD2 TYR 81 2.839 -5.847 14.959 621 HE1 TYR 81 HE1 TYR 81 -1.538 -7.927 16.064 622 HE2 TYR 81 HE2 TYR 81 2.057 -6.044 17.370 623 HH TYR 81 HH TYR 81 -0.986 -7.689 18.150 624 H SER 82 H SER 82 1.713 -7.998 9.703 625 HA SER 82 HA SER 82 -0.645 -9.153 9.611 626 HB2 SER 82 HB2 SER 82 0.741 -8.484 7.639 627 HB3 SER 82 HB3 SER 82 1.706 -9.934 7.830 628 HG SER 82 HG SER 82 0.201 -11.072 6.819 629 H MET 83 H MET 83 2.473 -11.034 9.706 630 HA MET 83 HA MET 83 1.386 -12.927 11.456 631 HB2 MET 83 HB2 MET 83 0.718 -13.329 8.723 632 HB3 MET 83 HB3 MET 83 2.063 -14.420 8.993 633 HG2 MET 83 HG2 MET 83 0.805 -15.825 10.284 634 HG3 MET 83 HG3 MET 83 0.141 -14.504 11.225 635 HE1 MET 83 HE1 MET 83 -2.541 -16.748 10.189 636 HE2 MET 83 HE2 MET 83 -1.707 -17.225 8.691 637 HE3 MET 83 HE3 MET 83 -0.806 -17.144 10.224 638 H TYR 84 H TYR 84 3.739 -12.527 8.715 639 HA TYR 84 HA TYR 84 5.718 -14.181 9.686 640 HB2 TYR 84 HB2 TYR 84 5.442 -11.683 7.977 641 HB3 TYR 84 HB3 TYR 84 7.073 -12.148 8.417 642 HD1 TYR 84 HD1 TYR 84 7.301 -14.949 8.170 643 HD2 TYR 84 HD2 TYR 84 4.886 -12.311 5.822 644 HE1 TYR 84 HE1 TYR 84 7.340 -16.613 6.248 645 HE2 TYR 84 HE2 TYR 84 4.933 -13.983 3.908 646 HH TYR 84 HH TYR 84 5.720 -17.104 4.262 647 H ARG 85 H ARG 85 7.242 -14.071 11.283 648 HA ARG 85 HA ARG 85 7.783 -11.469 12.401 649 HB2 ARG 85 HB2 ARG 85 6.515 -13.788 13.860 650 HB3 ARG 85 HB3 ARG 85 7.692 -12.831 14.739 651 HG2 ARG 85 HG2 ARG 85 6.400 -10.842 14.572 652 HG3 ARG 85 HG3 ARG 85 5.474 -11.440 13.210 653 HD2 ARG 85 HD2 ARG 85 3.863 -12.098 14.670 654 HD3 ARG 85 HD3 ARG 85 4.973 -13.311 15.278 655 HE ARG 85 HE ARG 85 5.416 -10.642 16.416 656 HH11 ARG 85 HH22 ARG 85 3.639 -13.687 16.764 657 HH12 ARG 85 HH21 ARG 85 3.345 -13.466 18.456 658 HH21 ARG 85 HH12 ARG 85 5.028 -10.367 18.613 659 HH22 ARG 85 HH11 ARG 85 4.145 -11.559 19.511 660 H GLU 86 H GLU 86 9.654 -12.377 10.858 661 HA GLU 86 HA GLU 86 11.443 -13.921 12.571 662 HB2 GLU 86 HB2 GLU 86 10.954 -14.028 9.592 663 HB3 GLU 86 HB3 GLU 86 12.544 -14.438 10.203 664 HG2 GLU 86 HG2 GLU 86 11.752 -16.519 10.636 665 HG3 GLU 86 HG3 GLU 86 10.794 -15.818 11.926 666 H PHE 87 H PHE 87 12.065 -11.805 13.521 667 HA PHE 87 HA PHE 87 13.248 -9.856 11.804 668 HB2 PHE 87 HB2 PHE 87 13.745 -8.796 14.028 669 HB3 PHE 87 HB3 PHE 87 12.087 -9.360 13.981 670 HD1 PHE 87 HD1 PHE 87 15.447 -10.071 15.313 671 HD2 PHE 87 HD2 PHE 87 11.330 -11.091 15.442 672 HE1 PHE 87 HE1 PHE 87 15.844 -11.411 17.398 673 HE2 PHE 87 HE2 PHE 87 11.727 -12.432 17.526 674 HZ PHE 87 HZ PHE 87 13.980 -12.576 18.479 675 H TRP 88 H TRP 88 15.316 -9.798 11.060 676 HA TRP 88 HA TRP 88 17.428 -10.925 12.669 677 HB2 TRP 88 HB2 TRP 88 16.357 -12.302 10.285 678 HB3 TRP 88 HB3 TRP 88 18.098 -12.105 10.320 679 HD1 TRP 88 HD1 TRP 88 15.551 -14.481 11.471 680 HE1 TRP 88 HE1 TRP 88 16.409 -16.172 13.306 681 HE3 TRP 88 HE3 TRP 88 19.791 -11.914 12.607 682 HZ2 TRP 88 HZ2 TRP 88 18.712 -16.246 14.989 683 HZ3 TRP 88 HZ3 TRP 88 21.290 -12.865 14.358 684 HH2 TRP 88 HH2 TRP 88 20.808 -14.953 15.533 685 H ALA 89 H ALA 89 17.774 -8.533 12.679 686 HA ALA 89 HA ALA 89 18.467 -7.361 10.124 687 HB1 ALA 89 HB1 ALA 89 18.987 -5.889 12.648 688 HB2 ALA 89 HB2 ALA 89 18.117 -5.377 11.182 689 HB3 ALA 89 HB3 ALA 89 17.296 -6.386 12.396 690 H LYS 90 H LYS 90 20.357 -8.305 9.360 691 HA LYS 90 HA LYS 90 22.705 -7.795 11.023 692 HB2 LYS 90 HB2 LYS 90 23.619 -9.967 10.655 693 HB3 LYS 90 HB3 LYS 90 22.011 -10.176 11.317 694 HG2 LYS 90 HG2 LYS 90 21.464 -10.123 8.604 695 HG3 LYS 90 HG3 LYS 90 23.050 -10.869 8.613 696 HD2 LYS 90 HD2 LYS 90 21.066 -11.885 10.631 697 HD3 LYS 90 HD3 LYS 90 20.760 -12.288 8.953 698 HE2 LYS 90 HE2 LYS 90 23.571 -12.711 9.452 699 HE3 LYS 90 HE3 LYS 90 22.682 -13.471 10.756 700 HZ1 LYS 90 HZ1 LYS 90 22.891 -14.327 8.065 701 HZ2 LYS 90 HZ2 LYS 90 22.224 -15.119 9.321 702 HZ3 LYS 90 HZ3 LYS 90 21.327 -14.058 8.457 703 HA PRO 91 HA PRO 91 23.349 -6.119 6.954 704 HB2 PRO 91 HB2 PRO 91 24.758 -3.917 7.748 705 HB3 PRO 91 HB3 PRO 91 23.017 -3.921 7.554 706 HG2 PRO 91 HG2 PRO 91 24.604 -3.968 10.048 707 HG3 PRO 91 HG3 PRO 91 22.916 -3.549 9.828 708 HD2 PRO 91 HD2 PRO 91 23.951 -6.008 10.883 709 HD3 PRO 91 HD3 PRO 91 22.271 -5.633 10.555 710 H LYS 92 H LYS 92 24.570 -7.883 6.259 711 HA LYS 92 HA LYS 92 26.954 -8.664 7.193 712 HB2 LYS 92 HB2 LYS 92 25.510 -8.857 4.698 713 HB3 LYS 92 HB3 LYS 92 27.227 -8.717 4.379 714 HG2 LYS 92 HG2 LYS 92 27.743 -10.627 5.776 715 HG3 LYS 92 HG3 LYS 92 26.133 -10.647 6.469 716 HD2 LYS 92 HD2 LYS 92 25.159 -11.257 4.271 717 HD3 LYS 92 HD3 LYS 92 26.737 -11.148 3.516 718 HE2 LYS 92 HE2 LYS 92 27.580 -13.038 4.801 719 HE3 LYS 92 HE3 LYS 92 26.166 -13.043 5.838 720 HZ1 LYS 92 HZ1 LYS 92 25.539 -14.631 4.330 721 HZ2 LYS 92 HZ2 LYS 92 24.982 -13.352 3.490 722 HZ3 LYS 92 HZ3 LYS 92 26.449 -13.983 3.133 723 HA PRO 93 HA PRO 93 29.195 -4.886 6.723 724 HB2 PRO 93 HB2 PRO 93 31.029 -5.375 8.689 725 HB3 PRO 93 HB3 PRO 93 29.497 -4.577 8.984 726 HG2 PRO 93 HG2 PRO 93 30.301 -7.346 9.638 727 HG3 PRO 93 HG3 PRO 93 28.970 -6.407 10.285 728 HD2 PRO 93 HD2 PRO 93 28.804 -8.501 8.332 729 HD3 PRO 93 HD3 PRO 93 27.491 -7.485 8.893 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -16.051 -6.453 10.016 2 HA MET 1 HA MET 1 -14.377 -6.943 12.272 3 HB2 MET 1 HB2 MET 1 -17.387 -7.189 12.362 4 HB3 MET 1 HB3 MET 1 -16.476 -8.475 13.127 5 HG2 MET 1 HG2 MET 1 -15.527 -7.037 14.743 6 HG3 MET 1 HG3 MET 1 -15.720 -5.611 13.743 7 HE1 MET 1 HE1 MET 1 -16.537 -7.513 16.403 8 HE2 MET 1 HE2 MET 1 -17.382 -6.160 17.193 9 HE3 MET 1 HE3 MET 1 -18.293 -7.603 16.685 10 H SER 2 H SER 2 -16.966 -8.415 10.180 11 HA SER 2 HA SER 2 -15.875 -10.949 10.206 12 HB2 SER 2 HB2 SER 2 -17.306 -11.344 8.203 13 HB3 SER 2 HB3 SER 2 -18.172 -10.527 9.488 14 HG SER 2 HG SER 2 -18.311 -8.697 8.313 15 H THR 3 H THR 3 -13.692 -11.203 9.706 16 HA THR 3 HA THR 3 -12.145 -9.733 8.047 17 HB THR 3 HB THR 3 -11.489 -11.654 9.588 18 HG1 THR 3 HG1 THR 3 -9.747 -12.185 8.080 19 HG21 THR 3 HG21 THR 3 -13.004 -13.436 8.794 20 HG22 THR 3 HG22 THR 3 -12.370 -13.271 7.139 21 HG23 THR 3 HG23 THR 3 -11.325 -13.905 8.433 22 H ASP 4 H ASP 4 -11.741 -9.448 5.905 23 HA ASP 4 HA ASP 4 -13.757 -10.511 4.174 24 HB2 ASP 4 HB2 ASP 4 -12.169 -8.162 4.279 25 HB3 ASP 4 HB3 ASP 4 -11.596 -9.020 2.862 26 H THR 5 H THR 5 -13.351 -12.617 3.438 27 HA THR 5 HA THR 5 -10.761 -13.097 2.178 28 HB THR 5 HB THR 5 -10.604 -15.293 3.393 29 HG1 THR 5 HG1 THR 5 -12.240 -15.680 4.970 30 HG21 THR 5 HG21 THR 5 -9.708 -13.011 4.426 31 HG22 THR 5 HG22 THR 5 -11.075 -13.209 5.549 32 HG23 THR 5 HG23 THR 5 -9.808 -14.456 5.461 33 H GLY 6 H GLY 6 -11.489 -13.199 0.112 34 HA2 GLY 6 HA2 GLY 6 -12.484 -15.410 -1.012 35 HA3 GLY 6 HA3 GLY 6 -13.953 -14.620 -0.475 36 H VAL 7 H VAL 7 -14.575 -12.547 -1.368 37 HA VAL 7 HA VAL 7 -12.973 -11.163 -3.205 38 HB VAL 7 HB VAL 7 -13.311 -13.166 -4.566 39 HG11 VAL 7 HG11 VAL 7 -15.362 -14.076 -5.133 40 HG12 VAL 7 HG12 VAL 7 -15.658 -13.564 -3.455 41 HG13 VAL 7 HG13 VAL 7 -16.247 -12.567 -4.807 42 HG21 VAL 7 HG21 VAL 7 -14.285 -12.035 -6.578 43 HG22 VAL 7 HG22 VAL 7 -14.766 -10.681 -5.527 44 HG23 VAL 7 HG23 VAL 7 -13.043 -11.077 -5.737 45 H SER 8 H SER 8 -14.012 -9.933 -1.249 46 HA SER 8 HA SER 8 -16.610 -8.971 -2.165 47 HB2 SER 8 HB2 SER 8 -16.002 -10.116 0.305 48 HB3 SER 8 HB3 SER 8 -15.910 -8.400 0.652 49 HG SER 8 HG SER 8 -18.147 -9.948 -0.254 50 H LEU 9 H LEU 9 -14.346 -7.918 -3.367 51 HA LEU 9 HA LEU 9 -13.524 -5.587 -1.865 52 HB2 LEU 9 HB2 LEU 9 -12.726 -6.852 -4.467 53 HB3 LEU 9 HB3 LEU 9 -12.256 -5.205 -4.098 54 HG LEU 9 HG LEU 9 -10.433 -6.598 -3.508 55 HD11 LEU 9 HD11 LEU 9 -11.638 -6.209 -0.793 56 HD12 LEU 9 HD12 LEU 9 -9.992 -5.865 -1.375 57 HD13 LEU 9 HD13 LEU 9 -11.338 -4.794 -1.830 58 HD21 LEU 9 HD21 LEU 9 -12.507 -8.467 -2.717 59 HD22 LEU 9 HD22 LEU 9 -10.800 -8.757 -3.130 60 HD23 LEU 9 HD23 LEU 9 -11.250 -8.314 -1.466 61 HA PRO 10 HA PRO 10 -16.346 -2.896 -3.712 62 HB2 PRO 10 HB2 PRO 10 -14.998 -0.519 -3.674 63 HB3 PRO 10 HB3 PRO 10 -15.796 -1.191 -2.266 64 HG2 PRO 10 HG2 PRO 10 -12.908 -1.087 -2.886 65 HG3 PRO 10 HG3 PRO 10 -13.689 -1.354 -1.341 66 HD2 PRO 10 HD2 PRO 10 -12.457 -3.338 -3.006 67 HD3 PRO 10 HD3 PRO 10 -13.340 -3.620 -1.519 68 H SER 11 H SER 11 -13.122 -2.314 -5.038 69 HA SER 11 HA SER 11 -14.265 -1.479 -7.490 70 HB2 SER 11 HB2 SER 11 -11.917 -1.355 -8.263 71 HB3 SER 11 HB3 SER 11 -12.111 -0.578 -6.704 72 HG SER 11 HG SER 11 -10.224 -1.941 -6.746 73 H TYR 12 H TYR 12 -15.048 -2.831 -9.062 74 HA TYR 12 HA TYR 12 -13.644 -5.309 -9.592 75 HB2 TYR 12 HB2 TYR 12 -15.362 -5.850 -7.834 76 HB3 TYR 12 HB3 TYR 12 -16.592 -4.998 -8.748 77 HD1 TYR 12 HD2 TYR 12 -17.268 -5.935 -11.039 78 HD2 TYR 12 HD1 TYR 12 -14.945 -8.147 -8.208 79 HE1 TYR 12 HE2 TYR 12 -17.883 -8.103 -12.217 80 HE2 TYR 12 HE1 TYR 12 -15.568 -10.307 -9.396 81 HH TYR 12 HH TYR 12 -18.054 -10.442 -11.704 82 H GLU 13 H GLU 13 -13.307 -5.228 -11.754 83 HA GLU 13 HA GLU 13 -15.432 -5.123 -13.523 84 HB2 GLU 13 HB2 GLU 13 -15.174 -2.624 -12.724 85 HB3 GLU 13 HB3 GLU 13 -13.771 -2.603 -13.774 86 HG2 GLU 13 HG2 GLU 13 -15.920 -3.853 -15.231 87 HG3 GLU 13 HG3 GLU 13 -16.561 -2.395 -14.501 88 H GLU 14 H GLU 14 -11.951 -4.259 -13.033 89 HA GLU 14 HA GLU 14 -11.397 -5.925 -15.363 90 HB2 GLU 14 HB2 GLU 14 -9.540 -4.475 -15.951 91 HB3 GLU 14 HB3 GLU 14 -10.974 -3.484 -15.780 92 HG2 GLU 14 HG2 GLU 14 -10.209 -3.105 -13.317 93 HG3 GLU 14 HG3 GLU 14 -8.670 -3.780 -13.813 94 H ASP 15 H ASP 15 -10.262 -4.681 -12.170 95 HA ASP 15 HA ASP 15 -7.979 -6.092 -11.917 96 HB2 ASP 15 HB2 ASP 15 -9.862 -4.749 -10.185 97 HB3 ASP 15 HB3 ASP 15 -9.401 -6.250 -9.407 98 H GLN 16 H GLN 16 -7.581 -8.308 -12.010 99 HA GLN 16 HA GLN 16 -9.614 -10.051 -10.895 100 HB2 GLN 16 HB2 GLN 16 -8.632 -10.005 -13.723 101 HB3 GLN 16 HB3 GLN 16 -8.798 -11.589 -12.991 102 HG2 GLN 16 HG2 GLN 16 -11.164 -10.968 -12.310 103 HG3 GLN 16 HG3 GLN 16 -10.981 -9.461 -13.186 104 HE21 GLN 16 HE21 GLN 16 -10.890 -12.976 -13.478 105 HE22 GLN 16 HE22 GLN 16 -11.344 -13.085 -15.147 106 H GLY 17 H GLY 17 -8.779 -11.903 -9.848 107 HA2 GLY 17 HA2 GLY 17 -6.396 -11.864 -8.621 108 HA3 GLY 17 HA3 GLY 17 -7.216 -13.348 -9.065 109 H SER 18 H SER 18 -6.987 -13.736 -11.692 110 HA SER 18 HA SER 18 -4.514 -14.641 -12.104 111 HB2 SER 18 HB2 SER 18 -5.062 -14.402 -14.612 112 HB3 SER 18 HB3 SER 18 -6.205 -15.299 -13.633 113 HG SER 18 HG SER 18 -6.509 -12.829 -14.950 114 H LYS 19 H LYS 19 -5.781 -11.366 -12.995 115 HA LYS 19 HA LYS 19 -3.504 -10.458 -14.292 116 HB2 LYS 19 HB2 LYS 19 -5.991 -9.354 -13.235 117 HB3 LYS 19 HB3 LYS 19 -4.657 -8.229 -13.073 118 HG2 LYS 19 HG2 LYS 19 -4.265 -8.134 -15.396 119 HG3 LYS 19 HG3 LYS 19 -4.984 -9.705 -15.690 120 HD2 LYS 19 HD2 LYS 19 -7.242 -8.683 -15.011 121 HD3 LYS 19 HD3 LYS 19 -6.452 -7.119 -15.005 122 HE2 LYS 19 HE2 LYS 19 -5.918 -8.677 -17.471 123 HE3 LYS 19 HE3 LYS 19 -7.620 -8.336 -17.229 124 HZ1 LYS 19 HZ1 LYS 19 -5.417 -6.411 -17.555 125 HZ2 LYS 19 HZ2 LYS 19 -6.866 -6.432 -18.300 126 HZ3 LYS 19 HZ3 LYS 19 -6.765 -5.997 -16.726 127 H LEU 20 H LEU 20 -4.442 -10.377 -10.805 128 HA LEU 20 HA LEU 20 -2.192 -8.919 -9.983 129 HB2 LEU 20 HB2 LEU 20 -4.507 -10.109 -8.836 130 HB3 LEU 20 HB3 LEU 20 -3.118 -10.671 -7.927 131 HG LEU 20 HG LEU 20 -4.067 -8.684 -6.909 132 HD11 LEU 20 HD11 LEU 20 -1.593 -7.492 -8.007 133 HD12 LEU 20 HD12 LEU 20 -2.077 -7.809 -6.323 134 HD13 LEU 20 HD13 LEU 20 -1.430 -9.129 -7.326 135 HD21 LEU 20 HD21 LEU 20 -4.857 -7.826 -9.260 136 HD22 LEU 20 HD22 LEU 20 -4.492 -6.679 -7.949 137 HD23 LEU 20 HD23 LEU 20 -3.300 -6.964 -9.240 138 H ILE 21 H ILE 21 -2.651 -12.233 -11.005 139 HA ILE 21 HA ILE 21 -0.220 -13.102 -9.686 140 HB ILE 21 HB ILE 21 -2.534 -14.356 -11.007 141 HG12 ILE 21 HG12 ILE 21 -1.906 -14.235 -8.499 142 HG13 ILE 21 HG13 ILE 21 -2.528 -15.738 -9.151 143 HG21 ILE 21 HG21 ILE 21 -0.741 -15.059 -12.531 144 HG22 ILE 21 HG22 ILE 21 0.192 -15.676 -11.147 145 HG23 ILE 21 HG23 ILE 21 -1.369 -16.419 -11.569 146 HD11 ILE 21 HD11 ILE 21 -0.511 -16.071 -7.696 147 HD12 ILE 21 HD12 ILE 21 -0.258 -16.657 -9.357 148 HD13 ILE 21 HD13 ILE 21 0.443 -15.103 -8.845 149 H ARG 22 H ARG 22 -1.278 -11.656 -12.667 150 HA ARG 22 HA ARG 22 0.487 -12.753 -14.435 151 HB2 ARG 22 HB2 ARG 22 -1.383 -10.668 -14.443 152 HB3 ARG 22 HB3 ARG 22 0.121 -9.824 -14.755 153 HG2 ARG 22 HG2 ARG 22 0.619 -11.355 -16.647 154 HG3 ARG 22 HG3 ARG 22 -0.836 -12.273 -16.312 155 HD2 ARG 22 HD2 ARG 22 -2.256 -10.607 -17.140 156 HD3 ARG 22 HD3 ARG 22 -1.156 -9.307 -16.726 157 HE ARG 22 HE ARG 22 0.131 -10.880 -18.709 158 HH11 ARG 22 HH22 ARG 22 -2.724 -8.800 -18.435 159 HH12 ARG 22 HH21 ARG 22 -2.704 -8.342 -20.105 160 HH21 ARG 22 HH12 ARG 22 0.146 -10.276 -20.877 161 HH22 ARG 22 HH11 ARG 22 -1.055 -9.192 -21.500 162 H LYS 23 H LYS 23 0.871 -9.896 -12.231 163 HA LYS 23 HA LYS 23 3.286 -8.964 -13.009 164 HB2 LYS 23 HB2 LYS 23 1.572 -8.604 -10.851 165 HB3 LYS 23 HB3 LYS 23 3.063 -9.131 -10.096 166 HG2 LYS 23 HG2 LYS 23 4.211 -7.230 -10.708 167 HG3 LYS 23 HG3 LYS 23 3.438 -7.139 -12.278 168 HD2 LYS 23 HD2 LYS 23 1.961 -5.594 -11.522 169 HD3 LYS 23 HD3 LYS 23 1.431 -6.667 -10.241 170 HE2 LYS 23 HE2 LYS 23 2.685 -5.591 -8.657 171 HE3 LYS 23 HE3 LYS 23 4.093 -5.504 -9.697 172 HZ1 LYS 23 HZ1 LYS 23 2.894 -3.323 -9.101 173 HZ2 LYS 23 HZ2 LYS 23 3.326 -3.522 -10.658 174 HZ3 LYS 23 HZ3 LYS 23 1.782 -3.805 -10.199 175 H ALA 24 H ALA 24 3.168 -11.072 -10.078 176 HA ALA 24 HA ALA 24 5.164 -12.812 -11.254 177 HB1 ALA 24 HB1 ALA 24 6.943 -12.120 -10.030 178 HB2 ALA 24 HB2 ALA 24 6.035 -10.598 -9.863 179 HB3 ALA 24 HB3 ALA 24 5.952 -11.830 -8.581 180 H LYS 25 H LYS 25 5.593 -14.715 -9.769 181 HA LYS 25 HA LYS 25 3.170 -15.776 -8.904 182 HB2 LYS 25 HB2 LYS 25 5.011 -17.159 -9.666 183 HB3 LYS 25 HB3 LYS 25 6.030 -16.612 -8.350 184 HG2 LYS 25 HG2 LYS 25 3.660 -17.529 -7.090 185 HG3 LYS 25 HG3 LYS 25 3.975 -18.703 -8.353 186 HD2 LYS 25 HD2 LYS 25 6.425 -17.915 -6.893 187 HD3 LYS 25 HD3 LYS 25 5.213 -18.623 -5.844 188 HE2 LYS 25 HE2 LYS 25 5.635 -20.702 -6.654 189 HE3 LYS 25 HE3 LYS 25 5.353 -20.171 -8.300 190 HZ1 LYS 25 HZ1 LYS 25 7.616 -20.897 -8.134 191 HZ2 LYS 25 HZ2 LYS 25 7.683 -19.275 -8.263 192 HZ3 LYS 25 HZ3 LYS 25 7.859 -19.985 -6.798 193 H GLU 26 H GLU 26 5.587 -16.209 -6.448 194 HA GLU 26 HA GLU 26 3.807 -15.293 -4.492 195 HB2 GLU 26 HB2 GLU 26 5.898 -17.021 -4.492 196 HB3 GLU 26 HB3 GLU 26 6.716 -15.618 -3.834 197 HG2 GLU 26 HG2 GLU 26 4.761 -15.421 -2.159 198 HG3 GLU 26 HG3 GLU 26 4.235 -16.997 -2.718 199 H ALA 27 H ALA 27 3.588 -13.073 -5.677 200 HA ALA 27 HA ALA 27 5.439 -11.160 -5.884 201 HB1 ALA 27 HB1 ALA 27 3.024 -10.932 -6.402 202 HB2 ALA 27 HB2 ALA 27 2.670 -10.827 -4.660 203 HB3 ALA 27 HB3 ALA 27 3.630 -9.554 -5.452 204 HA PRO 28 HA PRO 28 6.901 -11.124 -1.699 205 HB2 PRO 28 HB2 PRO 28 9.418 -10.220 -2.264 206 HB3 PRO 28 HB3 PRO 28 8.996 -11.921 -2.227 207 HG2 PRO 28 HG2 PRO 28 9.482 -10.182 -4.568 208 HG3 PRO 28 HG3 PRO 28 9.482 -11.933 -4.482 209 HD2 PRO 28 HD2 PRO 28 7.406 -10.267 -5.550 210 HD3 PRO 28 HD3 PRO 28 7.358 -12.009 -5.357 211 H PHE 29 H PHE 29 8.698 -9.193 -0.791 212 HA PHE 29 HA PHE 29 6.854 -6.967 -0.800 213 HB2 PHE 29 HB2 PHE 29 8.202 -6.284 1.119 214 HB3 PHE 29 HB3 PHE 29 8.068 -8.027 1.237 215 HD1 PHE 29 HD1 PHE 29 10.321 -5.261 0.314 216 HD2 PHE 29 HD2 PHE 29 9.991 -9.427 1.049 217 HE1 PHE 29 HE1 PHE 29 12.824 -5.449 0.372 218 HE2 PHE 29 HE2 PHE 29 12.494 -9.615 1.107 219 HZ PHE 29 HZ PHE 29 13.880 -7.624 0.768 220 H VAL 30 H VAL 30 9.754 -7.979 -2.432 221 HA VAL 30 HA VAL 30 11.160 -5.668 -2.769 222 HB VAL 30 HB VAL 30 10.787 -8.206 -4.160 223 HG11 VAL 30 HG11 VAL 30 11.692 -5.798 -5.775 224 HG12 VAL 30 HG12 VAL 30 11.862 -7.498 -6.275 225 HG13 VAL 30 HG13 VAL 30 10.243 -6.789 -6.066 226 HG21 VAL 30 HG21 VAL 30 13.342 -7.744 -4.489 227 HG22 VAL 30 HG22 VAL 30 13.056 -6.401 -3.355 228 HG23 VAL 30 HG23 VAL 30 12.705 -8.074 -2.859 229 HA PRO 31 HA PRO 31 8.144 -4.447 -6.200 230 HB2 PRO 31 HB2 PRO 31 5.824 -5.846 -6.560 231 HB3 PRO 31 HB3 PRO 31 7.278 -6.146 -7.491 232 HG2 PRO 31 HG2 PRO 31 6.125 -7.744 -5.288 233 HG3 PRO 31 HG3 PRO 31 7.304 -8.224 -6.492 234 HD2 PRO 31 HD2 PRO 31 7.824 -7.563 -3.750 235 HD3 PRO 31 HD3 PRO 31 9.014 -7.930 -4.983 236 H VAL 32 H VAL 32 7.114 -5.390 -3.112 237 HA VAL 32 HA VAL 32 4.824 -3.702 -3.048 238 HB VAL 32 HB VAL 32 6.478 -5.017 -0.886 239 HG11 VAL 32 HG11 VAL 32 4.092 -3.235 -0.765 240 HG12 VAL 32 HG12 VAL 32 4.087 -4.670 0.288 241 HG13 VAL 32 HG13 VAL 32 5.406 -3.480 0.411 242 HG21 VAL 32 HG21 VAL 32 4.872 -6.762 -0.879 243 HG22 VAL 32 HG22 VAL 32 3.753 -5.843 -1.915 244 HG23 VAL 32 HG23 VAL 32 5.272 -6.479 -2.591 245 H GLY 33 H GLY 33 8.283 -3.435 -2.072 246 HA2 GLY 33 HA2 GLY 33 7.959 -0.828 -0.926 247 HA3 GLY 33 HA3 GLY 33 9.456 -1.675 -1.261 248 H ILE 34 H ILE 34 9.318 -2.161 -4.021 249 HA ILE 34 HA ILE 34 10.080 0.335 -5.035 250 HB ILE 34 HB ILE 34 9.496 -2.330 -6.311 251 HG12 ILE 34 HG12 ILE 34 11.452 -2.081 -4.742 252 HG13 ILE 34 HG13 ILE 34 11.843 -2.629 -6.360 253 HG21 ILE 34 HG21 ILE 34 9.662 0.221 -7.607 254 HG22 ILE 34 HG22 ILE 34 11.094 -0.748 -8.032 255 HG23 ILE 34 HG23 ILE 34 9.462 -1.398 -8.321 256 HD11 ILE 34 HD11 ILE 34 13.251 -0.881 -6.626 257 HD12 ILE 34 HD12 ILE 34 11.902 0.253 -6.377 258 HD13 ILE 34 HD13 ILE 34 12.850 -0.321 -4.985 259 H ALA 35 H ALA 35 7.218 -1.743 -5.894 260 HA ALA 35 HA ALA 35 5.982 0.234 -7.428 261 HB1 ALA 35 HB1 ALA 35 4.216 -1.292 -7.572 262 HB2 ALA 35 HB2 ALA 35 5.595 -2.353 -7.199 263 HB3 ALA 35 HB3 ALA 35 4.459 -1.885 -5.912 264 H GLY 36 H GLY 36 5.383 -0.828 -4.003 265 HA2 GLY 36 HA2 GLY 36 3.381 0.771 -3.226 266 HA3 GLY 36 HA3 GLY 36 4.770 0.426 -2.214 267 H PHE 37 H PHE 37 6.873 1.798 -3.319 268 HA PHE 37 HA PHE 37 6.331 4.429 -2.532 269 HB2 PHE 37 HB2 PHE 37 8.529 2.738 -3.659 270 HB3 PHE 37 HB3 PHE 37 8.676 4.428 -4.100 271 HD1 PHE 37 HD2 PHE 37 8.117 6.033 -1.930 272 HD2 PHE 37 HD1 PHE 37 9.756 2.120 -1.823 273 HE1 PHE 37 HE2 PHE 37 9.148 6.526 0.305 274 HE2 PHE 37 HE1 PHE 37 10.787 2.613 0.412 275 HZ PHE 37 HZ PHE 37 10.470 4.810 1.449 276 H ALA 38 H ALA 38 6.583 2.830 -5.749 277 HA ALA 38 HA ALA 38 6.628 5.131 -7.301 278 HB1 ALA 38 HB1 ALA 38 6.199 2.254 -7.619 279 HB2 ALA 38 HB2 ALA 38 5.203 3.204 -8.747 280 HB3 ALA 38 HB3 ALA 38 6.970 3.417 -8.724 281 H ALA 39 H ALA 39 3.780 3.026 -6.454 282 HA ALA 39 HA ALA 39 1.884 4.769 -7.512 283 HB1 ALA 39 HB1 ALA 39 1.577 2.795 -5.215 284 HB2 ALA 39 HB2 ALA 39 0.290 3.400 -6.285 285 HB3 ALA 39 HB3 ALA 39 1.570 2.350 -6.938 286 H ILE 40 H ILE 40 2.812 4.231 -4.032 287 HA ILE 40 HA ILE 40 1.326 6.118 -2.849 288 HB ILE 40 HB ILE 40 4.147 5.219 -2.345 289 HG12 ILE 40 HG12 ILE 40 2.234 3.638 -2.049 290 HG13 ILE 40 HG13 ILE 40 3.187 3.907 -0.604 291 HG21 ILE 40 HG21 ILE 40 4.521 6.985 -1.048 292 HG22 ILE 40 HG22 ILE 40 2.850 7.569 -1.239 293 HG23 ILE 40 HG23 ILE 40 3.236 6.375 0.023 294 HD11 ILE 40 HD11 ILE 40 0.386 4.242 -0.892 295 HD12 ILE 40 HD12 ILE 40 1.379 4.683 0.518 296 HD13 ILE 40 HD13 ILE 40 1.053 5.886 -0.753 297 H VAL 41 H VAL 41 4.465 6.688 -4.560 298 HA VAL 41 HA VAL 41 4.605 9.411 -4.040 299 HB VAL 41 HB VAL 41 5.676 7.586 -6.169 300 HG11 VAL 41 HG11 VAL 41 6.103 10.588 -6.012 301 HG12 VAL 41 HG12 VAL 41 7.064 9.469 -7.008 302 HG13 VAL 41 HG13 VAL 41 5.328 9.685 -7.335 303 HG21 VAL 41 HG21 VAL 41 6.467 8.234 -3.570 304 HG22 VAL 41 HG22 VAL 41 7.437 7.397 -4.805 305 HG23 VAL 41 HG23 VAL 41 7.570 9.162 -4.615 306 H ALA 42 H ALA 42 3.070 7.588 -6.765 307 HA ALA 42 HA ALA 42 2.265 9.807 -8.223 308 HB1 ALA 42 HB1 ALA 42 0.329 7.686 -8.415 309 HB2 ALA 42 HB2 ALA 42 1.614 8.129 -9.564 310 HB3 ALA 42 HB3 ALA 42 1.950 6.969 -8.256 311 H TYR 43 H TYR 43 0.312 7.802 -5.894 312 HA TYR 43 HA TYR 43 -1.951 9.304 -5.869 313 HB2 TYR 43 HB2 TYR 43 -0.940 7.132 -4.561 314 HB3 TYR 43 HB3 TYR 43 -0.669 8.306 -3.289 315 HD1 TYR 43 HD2 TYR 43 -3.384 7.043 -5.543 316 HD2 TYR 43 HD1 TYR 43 -2.372 8.750 -1.753 317 HE1 TYR 43 HE2 TYR 43 -5.790 6.768 -4.769 318 HE2 TYR 43 HE1 TYR 43 -4.782 8.469 -0.991 319 HH TYR 43 HH TYR 43 -7.246 7.241 -3.223 320 H GLY 44 H GLY 44 0.797 9.673 -3.508 321 HA2 GLY 44 HA2 GLY 44 -0.120 11.878 -2.161 322 HA3 GLY 44 HA3 GLY 44 1.568 11.488 -2.425 323 H LEU 45 H LEU 45 1.845 11.770 -5.213 324 HA LEU 45 HA LEU 45 2.226 14.490 -5.468 325 HB2 LEU 45 HB2 LEU 45 3.214 12.492 -6.751 326 HB3 LEU 45 HB3 LEU 45 1.811 12.627 -7.793 327 HG LEU 45 HG LEU 45 3.704 13.758 -8.784 328 HD11 LEU 45 HD11 LEU 45 2.585 15.607 -9.528 329 HD12 LEU 45 HD12 LEU 45 1.244 14.726 -8.759 330 HD13 LEU 45 HD13 LEU 45 2.031 16.072 -7.901 331 HD21 LEU 45 HD21 LEU 45 5.128 15.171 -7.752 332 HD22 LEU 45 HD22 LEU 45 3.852 15.915 -6.758 333 HD23 LEU 45 HD23 LEU 45 4.543 14.343 -6.289 334 H TYR 46 H TYR 46 -0.467 12.410 -6.716 335 HA TYR 46 HA TYR 46 -1.852 14.518 -7.939 336 HB2 TYR 46 HB2 TYR 46 -2.264 11.691 -6.950 337 HB3 TYR 46 HB3 TYR 46 -3.736 12.610 -7.190 338 HD1 TYR 46 HD2 TYR 46 -3.588 14.048 -9.568 339 HD2 TYR 46 HD1 TYR 46 -1.706 10.302 -8.711 340 HE1 TYR 46 HE2 TYR 46 -3.511 13.510 -12.051 341 HE2 TYR 46 HE1 TYR 46 -1.636 9.777 -11.198 342 HH TYR 46 HH TYR 46 -2.457 12.185 -13.572 343 H LYS 47 H LYS 47 -1.995 13.086 -4.630 344 HA LYS 47 HA LYS 47 -4.273 14.386 -3.762 345 HB2 LYS 47 HB2 LYS 47 -1.837 13.259 -2.409 346 HB3 LYS 47 HB3 LYS 47 -3.010 14.158 -1.468 347 HG2 LYS 47 HG2 LYS 47 -4.805 12.624 -2.599 348 HG3 LYS 47 HG3 LYS 47 -3.455 11.612 -3.070 349 HD2 LYS 47 HD2 LYS 47 -4.195 10.700 -0.992 350 HD3 LYS 47 HD3 LYS 47 -2.752 11.608 -0.587 351 HE2 LYS 47 HE2 LYS 47 -5.430 13.010 -0.458 352 HE3 LYS 47 HE3 LYS 47 -4.998 11.905 0.831 353 HZ1 LYS 47 HZ1 LYS 47 -3.899 13.684 1.657 354 HZ2 LYS 47 HZ2 LYS 47 -2.745 13.389 0.547 355 HZ3 LYS 47 HZ3 LYS 47 -3.933 14.465 0.219 356 H LEU 48 H LEU 48 -0.814 15.456 -3.688 357 HA LEU 48 HA LEU 48 -0.995 17.748 -2.314 358 HB2 LEU 48 HB2 LEU 48 0.938 16.621 -3.646 359 HB3 LEU 48 HB3 LEU 48 0.464 17.711 -4.933 360 HG LEU 48 HG LEU 48 0.676 19.546 -3.039 361 HD11 LEU 48 HD11 LEU 48 2.748 17.589 -2.050 362 HD12 LEU 48 HD12 LEU 48 2.209 19.119 -1.317 363 HD13 LEU 48 HD13 LEU 48 1.128 17.704 -1.321 364 HD21 LEU 48 HD21 LEU 48 1.967 19.750 -4.986 365 HD22 LEU 48 HD22 LEU 48 3.151 19.732 -3.656 366 HD23 LEU 48 HD23 LEU 48 2.893 18.270 -4.638 367 H LYS 49 H LYS 49 -1.619 17.518 -5.891 368 HA LYS 49 HA LYS 49 -2.723 20.142 -5.927 369 HB2 LYS 49 HB2 LYS 49 -1.771 18.234 -7.807 370 HB3 LYS 49 HB3 LYS 49 -3.432 18.585 -8.239 371 HG2 LYS 49 HG2 LYS 49 -2.990 20.805 -8.735 372 HG3 LYS 49 HG3 LYS 49 -1.770 20.958 -7.486 373 HD2 LYS 49 HD2 LYS 49 -0.627 19.106 -9.251 374 HD3 LYS 49 HD3 LYS 49 -1.463 20.205 -10.329 375 HE2 LYS 49 HE2 LYS 49 0.005 21.910 -9.917 376 HE3 LYS 49 HE3 LYS 49 -0.025 21.638 -8.186 377 HZ1 LYS 49 HZ1 LYS 49 1.906 20.737 -10.075 378 HZ2 LYS 49 HZ2 LYS 49 2.004 20.736 -8.450 379 HZ3 LYS 49 HZ3 LYS 49 1.273 19.493 -9.223 380 H SER 50 H SER 50 -4.811 20.800 -5.663 381 HA SER 50 HA SER 50 -6.627 18.817 -4.721 382 HB2 SER 50 HB2 SER 50 -6.983 21.818 -5.151 383 HB3 SER 50 HB3 SER 50 -8.132 20.783 -4.327 384 HG SER 50 HG SER 50 -6.958 20.911 -2.545 385 H ARG 51 H ARG 51 -8.366 17.926 -5.838 386 HA ARG 51 HA ARG 51 -9.666 19.161 -7.906 387 HB2 ARG 51 HB2 ARG 51 -7.205 18.383 -8.857 388 HB3 ARG 51 HB3 ARG 51 -8.126 16.928 -9.183 389 HG2 ARG 51 HG2 ARG 51 -9.913 18.684 -10.155 390 HG3 ARG 51 HG3 ARG 51 -8.496 19.704 -10.310 391 HD2 ARG 51 HD2 ARG 51 -7.768 18.545 -12.128 392 HD3 ARG 51 HD3 ARG 51 -7.881 17.018 -11.275 393 HE ARG 51 HE ARG 51 -10.503 18.023 -12.058 394 HH11 ARG 51 HH22 ARG 51 -7.667 16.251 -13.229 395 HH12 ARG 51 HH21 ARG 51 -8.545 15.418 -14.468 396 HH21 ARG 51 HH12 ARG 51 -11.630 16.935 -13.673 397 HH22 ARG 51 HH11 ARG 51 -10.817 15.816 -14.718 398 H GLY 52 H GLY 52 -11.312 18.200 -6.482 399 HA2 GLY 52 HA2 GLY 52 -12.866 16.650 -5.995 400 HA3 GLY 52 HA3 GLY 52 -12.337 15.752 -7.404 401 H ASN 53 H ASN 53 -12.021 13.654 -6.771 402 HA ASN 53 HA ASN 53 -11.238 11.928 -5.721 403 HB2 ASN 53 HB2 ASN 53 -9.120 13.979 -5.259 404 HB3 ASN 53 HB3 ASN 53 -9.085 12.656 -4.110 405 HD21 ASN 53 HD21 ASN 53 -7.568 13.616 -6.659 406 HD22 ASN 53 HD22 ASN 53 -7.293 12.159 -7.555 407 H THR 54 H THR 54 -10.713 11.019 -3.351 408 HA THR 54 HA THR 54 -12.183 12.653 -1.387 409 HB THR 54 HB THR 54 -12.268 9.630 -1.885 410 HG1 THR 54 HG1 THR 54 -14.416 10.249 -2.579 411 HG21 THR 54 HG21 THR 54 -12.670 10.855 0.561 412 HG22 THR 54 HG22 THR 54 -14.288 11.002 -0.165 413 HG23 THR 54 HG23 THR 54 -13.542 9.397 0.030 414 H LYS 55 H LYS 55 -11.525 12.501 0.811 415 HA LYS 55 HA LYS 55 -10.037 12.390 2.437 416 HB2 LYS 55 HB2 LYS 55 -9.863 9.831 1.130 417 HB3 LYS 55 HB3 LYS 55 -8.272 10.290 1.702 418 HG2 LYS 55 HG2 LYS 55 -9.760 11.021 3.878 419 HG3 LYS 55 HG3 LYS 55 -10.765 9.722 3.266 420 HD2 LYS 55 HD2 LYS 55 -8.410 8.439 3.088 421 HD3 LYS 55 HD3 LYS 55 -7.933 9.604 4.307 422 HE2 LYS 55 HE2 LYS 55 -10.461 7.919 4.576 423 HE3 LYS 55 HE3 LYS 55 -8.905 7.364 5.159 424 HZ1 LYS 55 HZ1 LYS 55 -9.682 10.045 5.997 425 HZ2 LYS 55 HZ2 LYS 55 -10.547 8.829 6.648 426 HZ3 LYS 55 HZ3 LYS 55 -8.918 8.844 6.805 427 H MET 56 H MET 56 -9.250 14.487 1.796 428 HA MET 56 HA MET 56 -6.490 14.323 1.020 429 HB2 MET 56 HB2 MET 56 -8.275 14.760 -1.002 430 HB3 MET 56 HB3 MET 56 -8.135 16.408 -0.424 431 HG2 MET 56 HG2 MET 56 -5.505 15.869 -0.514 432 HG3 MET 56 HG3 MET 56 -6.014 14.645 -1.660 433 HE1 MET 56 HE1 MET 56 -5.650 19.081 -2.283 434 HE2 MET 56 HE2 MET 56 -6.597 18.588 -0.859 435 HE3 MET 56 HE3 MET 56 -4.927 18.007 -1.061 436 H SER 57 H SER 57 -6.761 14.862 3.472 437 HA SER 57 HA SER 57 -5.995 17.455 3.853 438 HB2 SER 57 HB2 SER 57 -8.784 17.366 3.513 439 HB3 SER 57 HB3 SER 57 -8.584 17.426 5.253 440 HG SER 57 HG SER 57 -7.130 19.302 4.896 441 H ILE 58 H ILE 58 -4.460 16.265 5.121 442 HA ILE 58 HA ILE 58 -5.587 15.021 7.529 443 HB ILE 58 HB ILE 58 -4.368 13.497 6.079 444 HG12 ILE 58 HG12 ILE 58 -2.616 13.976 8.483 445 HG13 ILE 58 HG13 ILE 58 -4.284 13.474 8.678 446 HG21 ILE 58 HG21 ILE 58 -2.626 15.692 5.701 447 HG22 ILE 58 HG22 ILE 58 -1.678 14.407 6.487 448 HG23 ILE 58 HG23 ILE 58 -2.540 14.073 4.966 449 HD11 ILE 58 HD11 ILE 58 -3.248 11.394 8.568 450 HD12 ILE 58 HD12 ILE 58 -3.606 11.644 6.842 451 HD13 ILE 58 HD13 ILE 58 -1.972 11.970 7.468 452 H HIS 59 H HIS 59 -4.689 15.546 9.585 453 HA HIS 59 HA HIS 59 -3.727 18.239 9.674 454 HB2 HIS 59 HB2 HIS 59 -5.404 16.956 11.248 455 HB3 HIS 59 HB3 HIS 59 -3.944 16.444 12.072 456 HD1 HIS 59 HD1 HIS 59 -4.761 17.862 14.161 457 HD2 HIS 59 HD2 HIS 59 -3.867 20.095 10.725 458 HE1 HIS 59 HE1 HIS 59 -4.581 20.293 14.915 459 H LEU 60 H LEU 60 -1.620 18.602 9.145 460 HA LEU 60 HA LEU 60 0.410 17.611 10.798 461 HB2 LEU 60 HB2 LEU 60 -0.302 15.680 9.055 462 HB3 LEU 60 HB3 LEU 60 0.876 16.534 8.079 463 HG LEU 60 HG LEU 60 2.438 16.313 10.142 464 HD11 LEU 60 HD11 LEU 60 0.403 15.472 11.532 465 HD12 LEU 60 HD12 LEU 60 0.769 13.900 10.783 466 HD13 LEU 60 HD13 LEU 60 2.002 14.726 11.765 467 HD21 LEU 60 HD21 LEU 60 2.648 13.702 9.379 468 HD22 LEU 60 HD22 LEU 60 1.744 14.401 8.014 469 HD23 LEU 60 HD23 LEU 60 3.318 15.087 8.484 470 H ILE 61 H ILE 61 2.607 18.401 10.002 471 HA ILE 61 HA ILE 61 2.368 21.066 9.238 472 HB ILE 61 HB ILE 61 4.190 20.037 10.571 473 HG12 ILE 61 HG12 ILE 61 6.016 21.314 8.979 474 HG13 ILE 61 HG13 ILE 61 4.514 21.984 8.374 475 HG21 ILE 61 HG21 ILE 61 4.586 18.543 8.096 476 HG22 ILE 61 HG22 ILE 61 6.081 19.310 8.684 477 HG23 ILE 61 HG23 ILE 61 5.167 18.212 9.745 478 HD11 ILE 61 HD11 ILE 61 3.864 22.776 10.559 479 HD12 ILE 61 HD12 ILE 61 5.153 21.837 11.350 480 HD13 ILE 61 HD13 ILE 61 5.568 23.240 10.336 481 H HIS 62 H HIS 62 2.889 22.175 7.283 482 HA HIS 62 HA HIS 62 1.874 21.027 5.007 483 HB2 HIS 62 HB2 HIS 62 1.970 23.393 5.223 484 HB3 HIS 62 HB3 HIS 62 3.707 23.386 5.450 485 HD1 HIS 62 HD1 HIS 62 1.663 21.718 2.664 486 HD2 HIS 62 HD2 HIS 62 4.637 24.627 3.196 487 HE1 HIS 62 HE1 HIS 62 2.380 22.443 0.325 488 H MET 63 H MET 63 2.668 19.033 4.367 489 HA MET 63 HA MET 63 5.005 19.033 2.878 490 HB2 MET 63 HB2 MET 63 5.646 18.869 5.543 491 HB3 MET 63 HB3 MET 63 5.373 17.168 5.221 492 HG2 MET 63 HG2 MET 63 7.650 17.352 4.696 493 HG3 MET 63 HG3 MET 63 6.932 17.582 3.114 494 HE1 MET 63 HE1 MET 63 7.272 19.283 1.704 495 HE2 MET 63 HE2 MET 63 8.256 20.744 1.959 496 HE3 MET 63 HE3 MET 63 9.012 19.135 2.045 497 H ARG 64 H ARG 64 5.330 16.971 1.754 498 HA ARG 64 HA ARG 64 2.990 15.272 2.073 499 HB2 ARG 64 HB2 ARG 64 3.698 14.572 -0.376 500 HB3 ARG 64 HB3 ARG 64 2.863 16.094 -0.133 501 HG2 ARG 64 HG2 ARG 64 5.876 16.096 0.036 502 HG3 ARG 64 HG3 ARG 64 5.146 15.946 -1.550 503 HD2 ARG 64 HD2 ARG 64 3.688 18.021 -0.262 504 HD3 ARG 64 HD3 ARG 64 5.363 18.313 0.161 505 HE ARG 64 HE ARG 64 4.912 17.713 -2.688 506 HH11 ARG 64 HH22 ARG 64 5.191 20.253 -0.233 507 HH12 ARG 64 HH21 ARG 64 5.567 21.494 -1.381 508 HH21 ARG 64 HH12 ARG 64 5.401 19.334 -4.169 509 HH22 ARG 64 HH11 ARG 64 5.686 20.960 -3.637 510 H VAL 65 H VAL 65 6.546 15.445 1.748 511 HA VAL 65 HA VAL 65 6.964 12.660 1.513 512 HB VAL 65 HB VAL 65 9.271 13.197 1.873 513 HG11 VAL 65 HG11 VAL 65 9.082 13.845 -0.270 514 HG12 VAL 65 HG12 VAL 65 7.591 14.764 0.042 515 HG13 VAL 65 HG13 VAL 65 9.177 15.505 0.364 516 HG21 VAL 65 HG21 VAL 65 9.192 14.631 3.789 517 HG22 VAL 65 HG22 VAL 65 9.953 15.551 2.469 518 HG23 VAL 65 HG23 VAL 65 8.255 15.861 2.907 519 H ALA 66 H ALA 66 6.967 14.994 4.276 520 HA ALA 66 HA ALA 66 7.799 13.309 6.261 521 HB1 ALA 66 HB1 ALA 66 5.706 15.519 6.302 522 HB2 ALA 66 HB2 ALA 66 6.452 14.808 7.753 523 HB3 ALA 66 HB3 ALA 66 7.455 15.696 6.580 524 H ALA 67 H ALA 67 4.344 13.964 5.313 525 HA ALA 67 HA ALA 67 3.209 12.062 6.944 526 HB1 ALA 67 HB1 ALA 67 1.731 13.574 5.959 527 HB2 ALA 67 HB2 ALA 67 2.453 13.388 4.343 528 HB3 ALA 67 HB3 ALA 67 1.421 12.100 5.011 529 H GLN 68 H GLN 68 5.048 11.715 3.947 530 HA GLN 68 HA GLN 68 4.068 9.163 3.313 531 HB2 GLN 68 HB2 GLN 68 5.857 11.075 2.183 532 HB3 GLN 68 HB3 GLN 68 6.780 9.596 2.359 533 HG2 GLN 68 HG2 GLN 68 5.287 8.346 0.986 534 HG3 GLN 68 HG3 GLN 68 3.983 9.499 1.185 535 HE21 GLN 68 HE21 GLN 68 4.220 8.955 -1.254 536 HE22 GLN 68 HE22 GLN 68 5.116 10.097 -2.200 537 H GLY 69 H GLY 69 6.805 10.414 5.275 538 HA2 GLY 69 HA2 GLY 69 8.083 7.916 5.674 539 HA3 GLY 69 HA3 GLY 69 8.293 9.381 6.613 540 H PHE 70 H PHE 70 5.698 9.854 7.611 541 HA PHE 70 HA PHE 70 5.649 8.151 9.802 542 HB2 PHE 70 HB2 PHE 70 3.991 10.294 8.496 543 HB3 PHE 70 HB3 PHE 70 3.086 9.253 9.577 544 HD1 PHE 70 HD2 PHE 70 6.265 11.212 9.513 545 HD2 PHE 70 HD1 PHE 70 2.976 9.828 11.809 546 HE1 PHE 70 HE2 PHE 70 7.074 12.549 11.477 547 HE2 PHE 70 HE1 PHE 70 3.785 11.165 13.774 548 HZ PHE 70 HZ PHE 70 5.824 12.509 13.584 549 H VAL 71 H VAL 71 3.329 8.361 7.003 550 HA VAL 71 HA VAL 71 1.774 6.201 7.771 551 HB VAL 71 HB VAL 71 2.398 7.406 5.073 552 HG11 VAL 71 HG11 VAL 71 0.514 6.234 4.151 553 HG12 VAL 71 HG12 VAL 71 1.590 5.032 4.903 554 HG13 VAL 71 HG13 VAL 71 0.100 5.538 5.736 555 HG21 VAL 71 HG21 VAL 71 0.950 9.010 5.625 556 HG22 VAL 71 HG22 VAL 71 -0.288 7.808 6.061 557 HG23 VAL 71 HG23 VAL 71 0.901 8.342 7.274 558 H VAL 72 H VAL 72 4.631 6.349 5.540 559 HA VAL 72 HA VAL 72 4.706 3.746 4.761 560 HB VAL 72 HB VAL 72 6.782 5.835 5.297 561 HG11 VAL 72 HG11 VAL 72 8.170 3.910 3.892 562 HG12 VAL 72 HG12 VAL 72 8.351 4.260 5.628 563 HG13 VAL 72 HG13 VAL 72 7.278 2.945 5.092 564 HG21 VAL 72 HG21 VAL 72 6.217 4.396 2.705 565 HG22 VAL 72 HG22 VAL 72 5.176 5.727 3.267 566 HG23 VAL 72 HG23 VAL 72 6.907 6.016 2.968 567 H GLY 73 H GLY 73 5.922 5.190 7.839 568 HA2 GLY 73 HA2 GLY 73 7.127 2.883 8.868 569 HA3 GLY 73 HA3 GLY 73 6.519 4.245 9.788 570 H ALA 74 H ALA 74 3.778 4.230 9.320 571 HA ALA 74 HA ALA 74 2.886 2.286 11.072 572 HB1 ALA 74 HB1 ALA 74 1.880 4.566 10.048 573 HB2 ALA 74 HB2 ALA 74 0.995 3.397 9.040 574 HB3 ALA 74 HB3 ALA 74 0.856 3.328 10.813 575 H MET 75 H MET 75 2.860 2.389 7.456 576 HA MET 75 HA MET 75 1.496 -0.031 7.195 577 HB2 MET 75 HB2 MET 75 3.006 1.897 5.488 578 HB3 MET 75 HB3 MET 75 3.046 0.255 4.879 579 HG2 MET 75 HG2 MET 75 0.350 1.104 5.791 580 HG3 MET 75 HG3 MET 75 0.972 2.070 4.468 581 HE1 MET 75 HE1 MET 75 -0.930 1.476 3.394 582 HE2 MET 75 HE2 MET 75 -0.647 0.443 1.972 583 HE3 MET 75 HE3 MET 75 -1.635 -0.157 3.326 584 H THR 76 H THR 76 4.945 0.825 7.569 585 HA THR 76 HA THR 76 6.054 -1.597 6.728 586 HB THR 76 HB THR 76 6.885 0.640 8.626 587 HG1 THR 76 HG1 THR 76 7.456 1.319 6.600 588 HG21 THR 76 HG21 THR 76 9.120 -0.911 7.643 589 HG22 THR 76 HG22 THR 76 8.692 -0.562 9.334 590 HG23 THR 76 HG23 THR 76 8.032 -2.006 8.530 591 H VAL 77 H VAL 77 5.126 -0.519 10.064 592 HA VAL 77 HA VAL 77 5.793 -2.960 11.253 593 HB VAL 77 HB VAL 77 3.875 -0.760 12.040 594 HG11 VAL 77 HG11 VAL 77 3.127 -2.541 13.347 595 HG12 VAL 77 HG12 VAL 77 4.754 -3.246 13.502 596 HG13 VAL 77 HG13 VAL 77 4.338 -1.764 14.396 597 HG21 VAL 77 HG21 VAL 77 5.869 0.316 12.190 598 HG22 VAL 77 HG22 VAL 77 5.966 -0.553 13.741 599 HG23 VAL 77 HG23 VAL 77 6.803 -1.195 12.307 600 H GLY 78 H GLY 78 2.641 -1.646 10.033 601 HA2 GLY 78 HA2 GLY 78 0.992 -3.738 10.722 602 HA3 GLY 78 HA3 GLY 78 0.790 -2.706 9.320 603 H MET 79 H MET 79 3.152 -3.384 7.836 604 HA MET 79 HA MET 79 2.230 -5.709 6.601 605 HB2 MET 79 HB2 MET 79 4.306 -3.658 6.240 606 HB3 MET 79 HB3 MET 79 4.948 -5.238 5.836 607 HG2 MET 79 HG2 MET 79 2.270 -4.273 4.745 608 HG3 MET 79 HG3 MET 79 3.780 -3.911 3.932 609 HE1 MET 79 HE1 MET 79 1.069 -5.681 3.171 610 HE2 MET 79 HE2 MET 79 2.272 -5.294 1.917 611 HE3 MET 79 HE3 MET 79 1.764 -6.981 2.172 612 H GLY 80 H GLY 80 5.147 -5.024 8.649 613 HA2 GLY 80 HA2 GLY 80 6.398 -7.457 8.559 614 HA3 GLY 80 HA3 GLY 80 6.381 -6.387 9.947 615 H TYR 81 H TYR 81 3.562 -6.453 10.568 616 HA TYR 81 HA TYR 81 3.485 -9.056 11.828 617 HB2 TYR 81 HB2 TYR 81 2.928 -6.575 12.696 618 HB3 TYR 81 HB3 TYR 81 1.399 -6.812 11.874 619 HD1 TYR 81 HD1 TYR 81 3.502 -7.896 14.699 620 HD2 TYR 81 HD2 TYR 81 -0.277 -8.347 12.746 621 HE1 TYR 81 HE1 TYR 81 2.580 -9.092 16.744 622 HE2 TYR 81 HE2 TYR 81 -1.187 -9.542 14.797 623 HH TYR 81 HH TYR 81 0.036 -10.969 16.737 624 H SER 82 H SER 82 2.197 -7.476 8.999 625 HA SER 82 HA SER 82 0.811 -8.115 7.457 626 HB2 SER 82 HB2 SER 82 1.573 -10.693 8.712 627 HB3 SER 82 HB3 SER 82 0.056 -10.757 7.837 628 HG SER 82 HG SER 82 1.927 -9.369 6.367 629 H MET 83 H MET 83 -0.430 -10.343 10.039 630 HA MET 83 HA MET 83 -2.474 -8.623 10.840 631 HB2 MET 83 HB2 MET 83 -2.967 -9.896 8.355 632 HB3 MET 83 HB3 MET 83 -3.837 -10.890 9.506 633 HG2 MET 83 HG2 MET 83 -4.916 -8.771 10.423 634 HG3 MET 83 HG3 MET 83 -4.142 -7.872 9.134 635 HE1 MET 83 HE1 MET 83 -5.597 -7.191 7.234 636 HE2 MET 83 HE2 MET 83 -7.271 -7.786 7.130 637 HE3 MET 83 HE3 MET 83 -6.664 -7.097 8.655 638 H TYR 84 H TYR 84 -2.136 -12.180 10.117 639 HA TYR 84 HA TYR 84 -2.206 -12.643 13.012 640 HB2 TYR 84 HB2 TYR 84 -4.212 -13.189 11.005 641 HB3 TYR 84 HB3 TYR 84 -3.467 -14.735 11.356 642 HD1 TYR 84 HD2 TYR 84 -4.538 -11.768 13.408 643 HD2 TYR 84 HD1 TYR 84 -4.674 -16.009 12.860 644 HE1 TYR 84 HE2 TYR 84 -5.980 -11.999 15.490 645 HE2 TYR 84 HE1 TYR 84 -6.116 -16.225 14.943 646 HH TYR 84 HH TYR 84 -6.494 -13.679 17.143 647 H ARG 85 H ARG 85 0.003 -13.134 13.154 648 HA ARG 85 HA ARG 85 0.653 -15.679 12.006 649 HB2 ARG 85 HB2 ARG 85 1.718 -13.167 10.959 650 HB3 ARG 85 HB3 ARG 85 3.024 -14.119 11.637 651 HG2 ARG 85 HG2 ARG 85 2.708 -15.895 10.130 652 HG3 ARG 85 HG3 ARG 85 1.014 -15.524 9.877 653 HD2 ARG 85 HD2 ARG 85 2.011 -13.254 8.837 654 HD3 ARG 85 HD3 ARG 85 3.446 -14.239 8.627 655 HE ARG 85 HE ARG 85 2.361 -15.381 6.905 656 HH11 ARG 85 HH22 ARG 85 -0.095 -13.834 8.937 657 HH12 ARG 85 HH21 ARG 85 -1.410 -14.278 7.901 658 HH21 ARG 85 HH12 ARG 85 0.645 -15.951 5.568 659 HH22 ARG 85 HH11 ARG 85 -0.978 -15.493 5.970 660 H GLU 86 H GLU 86 1.823 -12.787 13.866 661 HA GLU 86 HA GLU 86 2.803 -12.591 15.794 662 HB2 GLU 86 HB2 GLU 86 1.090 -14.765 16.187 663 HB3 GLU 86 HB3 GLU 86 2.626 -15.367 16.779 664 HG2 GLU 86 HG2 GLU 86 2.643 -12.863 17.898 665 HG3 GLU 86 HG3 GLU 86 0.916 -13.152 17.842 666 H PHE 87 H PHE 87 4.808 -12.321 14.534 667 HA PHE 87 HA PHE 87 6.733 -14.361 15.283 668 HB2 PHE 87 HB2 PHE 87 5.589 -14.294 12.739 669 HB3 PHE 87 HB3 PHE 87 6.944 -13.208 12.508 670 HD1 PHE 87 HD1 PHE 87 6.336 -16.526 14.129 671 HD2 PHE 87 HD2 PHE 87 8.846 -14.166 11.650 672 HE1 PHE 87 HE1 PHE 87 7.858 -18.494 13.795 673 HE2 PHE 87 HE2 PHE 87 10.367 -16.134 11.317 674 HZ PHE 87 HZ PHE 87 9.855 -18.275 12.393 675 H TRP 88 H TRP 88 9.042 -13.553 14.833 676 HA TRP 88 HA TRP 88 9.076 -10.642 15.247 677 HB2 TRP 88 HB2 TRP 88 10.752 -12.866 16.382 678 HB3 TRP 88 HB3 TRP 88 11.364 -11.225 16.303 679 HD1 TRP 88 HD1 TRP 88 8.576 -13.263 18.051 680 HE1 TRP 88 HE1 TRP 88 7.695 -12.012 20.201 681 HE3 TRP 88 HE3 TRP 88 11.196 -8.975 17.272 682 HZ2 TRP 88 HZ2 TRP 88 8.182 -9.427 21.309 683 HZ3 TRP 88 HZ3 TRP 88 10.936 -7.137 18.935 684 HH2 TRP 88 HH2 TRP 88 9.492 -7.312 20.899 685 H ALA 89 H ALA 89 11.183 -13.383 14.087 686 HA ALA 89 HA ALA 89 11.418 -12.748 11.497 687 HB1 ALA 89 HB1 ALA 89 12.868 -10.772 13.193 688 HB2 ALA 89 HB2 ALA 89 13.760 -11.410 11.791 689 HB3 ALA 89 HB3 ALA 89 12.194 -10.598 11.555 690 H LYS 90 H LYS 90 13.832 -13.354 10.649 691 HA LYS 90 HA LYS 90 15.054 -15.243 12.488 692 HB2 LYS 90 HB2 LYS 90 13.273 -16.023 10.337 693 HB3 LYS 90 HB3 LYS 90 14.886 -16.646 10.052 694 HG2 LYS 90 HG2 LYS 90 14.224 -18.327 11.464 695 HG3 LYS 90 HG3 LYS 90 14.661 -17.189 12.723 696 HD2 LYS 90 HD2 LYS 90 12.239 -16.313 12.608 697 HD3 LYS 90 HD3 LYS 90 11.878 -17.686 11.581 698 HE2 LYS 90 HE2 LYS 90 13.349 -18.460 14.028 699 HE3 LYS 90 HE3 LYS 90 11.823 -17.674 14.382 700 HZ1 LYS 90 HZ1 LYS 90 12.183 -20.047 12.633 701 HZ2 LYS 90 HZ2 LYS 90 11.451 -20.026 14.087 702 HZ3 LYS 90 HZ3 LYS 90 10.785 -19.219 12.828 703 HA PRO 91 HA PRO 91 18.600 -13.820 10.484 704 HB2 PRO 91 HB2 PRO 91 20.373 -15.851 10.932 705 HB3 PRO 91 HB3 PRO 91 19.969 -14.647 12.140 706 HG2 PRO 91 HG2 PRO 91 19.101 -17.468 11.972 707 HG3 PRO 91 HG3 PRO 91 19.068 -16.390 13.353 708 HD2 PRO 91 HD2 PRO 91 16.836 -17.161 11.724 709 HD3 PRO 91 HD3 PRO 91 16.826 -15.995 13.032 710 H LYS 92 H LYS 92 20.454 -14.405 8.882 711 HA LYS 92 HA LYS 92 19.413 -16.312 6.944 712 HB2 LYS 92 HB2 LYS 92 18.626 -13.822 6.558 713 HB3 LYS 92 HB3 LYS 92 20.251 -13.611 5.938 714 HG2 LYS 92 HG2 LYS 92 19.443 -16.019 4.756 715 HG3 LYS 92 HG3 LYS 92 17.968 -15.074 4.758 716 HD2 LYS 92 HD2 LYS 92 19.746 -13.165 3.910 717 HD3 LYS 92 HD3 LYS 92 20.525 -14.601 3.278 718 HE2 LYS 92 HE2 LYS 92 17.747 -14.908 2.694 719 HE3 LYS 92 HE3 LYS 92 18.132 -13.242 2.311 720 HZ1 LYS 92 HZ1 LYS 92 19.734 -13.916 0.755 721 HZ2 LYS 92 HZ2 LYS 92 19.902 -15.413 1.373 722 HZ3 LYS 92 HZ3 LYS 92 18.531 -15.010 0.575 723 HA PRO 93 HA PRO 93 23.808 -16.795 7.471 724 HB2 PRO 93 HB2 PRO 93 23.840 -19.523 7.309 725 HB3 PRO 93 HB3 PRO 93 23.683 -18.655 8.823 726 HG2 PRO 93 HG2 PRO 93 21.607 -20.096 7.289 727 HG3 PRO 93 HG3 PRO 93 21.584 -19.599 8.969 728 HD2 PRO 93 HD2 PRO 93 20.209 -18.342 6.788 729 HD3 PRO 93 HD3 PRO 93 20.280 -17.779 8.446 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -12.969 -13.731 -2.280 2 HA MET 1 HA MET 1 -15.164 -15.034 -1.945 3 HB2 MET 1 HB2 MET 1 -14.005 -16.134 -4.336 4 HB3 MET 1 HB3 MET 1 -13.850 -17.377 -3.111 5 HG2 MET 1 HG2 MET 1 -16.226 -17.426 -2.702 6 HG3 MET 1 HG3 MET 1 -16.486 -15.914 -3.548 7 HE1 MET 1 HE1 MET 1 -18.400 -17.464 -4.352 8 HE2 MET 1 HE2 MET 1 -18.277 -18.487 -5.804 9 HE3 MET 1 HE3 MET 1 -17.846 -19.149 -4.209 10 H SER 2 H SER 2 -11.742 -16.195 -2.379 11 HA SER 2 HA SER 2 -11.815 -17.644 0.027 12 HB2 SER 2 HB2 SER 2 -9.263 -17.696 -0.351 13 HB3 SER 2 HB3 SER 2 -10.267 -18.411 -1.597 14 HG SER 2 HG SER 2 -9.085 -17.122 -2.866 15 H THR 3 H THR 3 -10.064 -14.608 -0.974 16 HA THR 3 HA THR 3 -8.935 -13.927 1.401 17 HB THR 3 HB THR 3 -10.215 -12.252 -0.813 18 HG1 THR 3 HG1 THR 3 -7.913 -12.203 -1.368 19 HG21 THR 3 HG21 THR 3 -8.640 -11.447 1.653 20 HG22 THR 3 HG22 THR 3 -8.358 -10.588 0.120 21 HG23 THR 3 HG23 THR 3 -9.979 -10.588 0.855 22 H ASP 4 H ASP 4 -9.811 -14.104 3.379 23 HA ASP 4 HA ASP 4 -12.449 -13.967 3.959 24 HB2 ASP 4 HB2 ASP 4 -10.332 -14.559 5.417 25 HB3 ASP 4 HB3 ASP 4 -10.353 -12.864 5.861 26 H THR 5 H THR 5 -13.937 -12.263 4.180 27 HA THR 5 HA THR 5 -14.773 -10.203 4.185 28 HB THR 5 HB THR 5 -12.096 -9.672 5.566 29 HG1 THR 5 HG1 THR 5 -13.804 -9.612 7.349 30 HG21 THR 5 HG21 THR 5 -14.166 -7.780 4.671 31 HG22 THR 5 HG22 THR 5 -14.048 -7.825 6.447 32 HG23 THR 5 HG23 THR 5 -12.611 -7.442 5.468 33 H GLY 6 H GLY 6 -14.255 -10.852 1.738 34 HA2 GLY 6 HA2 GLY 6 -13.854 -8.504 0.359 35 HA3 GLY 6 HA3 GLY 6 -12.277 -9.264 0.434 36 H VAL 7 H VAL 7 -15.628 -9.572 -0.745 37 HA VAL 7 HA VAL 7 -14.698 -11.743 -2.496 38 HB VAL 7 HB VAL 7 -16.274 -12.590 -0.893 39 HG11 VAL 7 HG11 VAL 7 -18.095 -10.331 -1.788 40 HG12 VAL 7 HG12 VAL 7 -18.595 -11.694 -0.758 41 HG13 VAL 7 HG13 VAL 7 -17.361 -10.548 -0.181 42 HG21 VAL 7 HG21 VAL 7 -16.432 -13.041 -3.507 43 HG22 VAL 7 HG22 VAL 7 -17.605 -13.742 -2.366 44 HG23 VAL 7 HG23 VAL 7 -18.031 -12.286 -3.297 45 H SER 8 H SER 8 -13.940 -9.567 -3.599 46 HA SER 8 HA SER 8 -14.129 -8.231 -5.297 47 HB2 SER 8 HB2 SER 8 -16.692 -9.724 -6.009 48 HB3 SER 8 HB3 SER 8 -15.750 -8.723 -7.096 49 HG SER 8 HG SER 8 -14.519 -10.414 -7.508 50 H LEU 9 H LEU 9 -14.468 -6.264 -4.192 51 HA LEU 9 HA LEU 9 -17.178 -5.588 -3.419 52 HB2 LEU 9 HB2 LEU 9 -14.446 -4.632 -2.810 53 HB3 LEU 9 HB3 LEU 9 -15.696 -3.404 -2.833 54 HG LEU 9 HG LEU 9 -16.495 -5.780 -1.320 55 HD11 LEU 9 HD11 LEU 9 -14.449 -4.242 0.174 56 HD12 LEU 9 HD12 LEU 9 -14.891 -5.964 0.257 57 HD13 LEU 9 HD13 LEU 9 -13.842 -5.378 -1.056 58 HD21 LEU 9 HD21 LEU 9 -16.962 -3.998 0.405 59 HD22 LEU 9 HD22 LEU 9 -16.369 -2.807 -0.778 60 HD23 LEU 9 HD23 LEU 9 -17.796 -3.802 -1.156 61 HA PRO 10 HA PRO 10 -17.939 -3.255 -6.971 62 HB2 PRO 10 HB2 PRO 10 -19.917 -1.590 -6.087 63 HB3 PRO 10 HB3 PRO 10 -20.206 -3.251 -6.566 64 HG2 PRO 10 HG2 PRO 10 -20.100 -2.098 -3.845 65 HG3 PRO 10 HG3 PRO 10 -20.792 -3.622 -4.366 66 HD2 PRO 10 HD2 PRO 10 -18.292 -3.246 -3.010 67 HD3 PRO 10 HD3 PRO 10 -18.930 -4.754 -3.633 68 H SER 11 H SER 11 -17.703 -1.256 -4.073 69 HA SER 11 HA SER 11 -16.961 1.005 -5.535 70 HB2 SER 11 HB2 SER 11 -16.982 0.185 -2.648 71 HB3 SER 11 HB3 SER 11 -15.970 1.552 -3.069 72 HG SER 11 HG SER 11 -17.999 2.397 -2.584 73 H TYR 12 H TYR 12 -14.715 2.155 -4.924 74 HA TYR 12 HA TYR 12 -12.531 2.188 -5.313 75 HB2 TYR 12 HB2 TYR 12 -13.165 -0.032 -3.422 76 HB3 TYR 12 HB3 TYR 12 -11.641 -0.298 -4.244 77 HD1 TYR 12 HD2 TYR 12 -10.105 1.955 -4.335 78 HD2 TYR 12 HD1 TYR 12 -13.065 1.055 -1.380 79 HE1 TYR 12 HE2 TYR 12 -8.954 3.520 -2.694 80 HE2 TYR 12 HE1 TYR 12 -11.904 2.622 0.251 81 HH TYR 12 HH TYR 12 -8.954 3.525 0.089 82 H GLU 13 H GLU 13 -10.558 0.898 -6.261 83 HA GLU 13 HA GLU 13 -11.368 -0.016 -8.749 84 HB2 GLU 13 HB2 GLU 13 -8.985 -0.507 -9.116 85 HB3 GLU 13 HB3 GLU 13 -9.170 1.036 -8.307 86 HG2 GLU 13 HG2 GLU 13 -7.882 0.314 -6.591 87 HG3 GLU 13 HG3 GLU 13 -9.023 -0.974 -6.257 88 H GLU 14 H GLU 14 -10.747 -2.214 -9.718 89 HA GLU 14 HA GLU 14 -11.030 -4.299 -7.706 90 HB2 GLU 14 HB2 GLU 14 -13.186 -3.649 -9.088 91 HB3 GLU 14 HB3 GLU 14 -12.414 -4.533 -10.389 92 HG2 GLU 14 HG2 GLU 14 -12.355 -6.579 -9.104 93 HG3 GLU 14 HG3 GLU 14 -12.744 -5.744 -7.613 94 H ASP 15 H ASP 15 -10.334 -6.504 -8.558 95 HA ASP 15 HA ASP 15 -8.763 -6.460 -10.929 96 HB2 ASP 15 HB2 ASP 15 -7.544 -6.182 -8.238 97 HB3 ASP 15 HB3 ASP 15 -6.882 -7.519 -9.158 98 H GLN 16 H GLN 16 -8.644 -8.612 -11.737 99 HA GLN 16 HA GLN 16 -10.062 -10.557 -10.188 100 HB2 GLN 16 HB2 GLN 16 -10.199 -10.061 -12.780 101 HB3 GLN 16 HB3 GLN 16 -8.792 -11.101 -12.881 102 HG2 GLN 16 HG2 GLN 16 -10.681 -12.547 -13.186 103 HG3 GLN 16 HG3 GLN 16 -10.113 -12.856 -11.557 104 HE21 GLN 16 HE21 GLN 16 -11.572 -12.907 -10.039 105 HE22 GLN 16 HE22 GLN 16 -13.117 -12.122 -10.034 106 H GLY 17 H GLY 17 -9.196 -12.390 -9.204 107 HA2 GLY 17 HA2 GLY 17 -6.736 -12.494 -8.165 108 HA3 GLY 17 HA3 GLY 17 -7.639 -13.930 -8.604 109 H SER 18 H SER 18 -7.598 -14.268 -11.229 110 HA SER 18 HA SER 18 -5.176 -15.201 -11.843 111 HB2 SER 18 HB2 SER 18 -7.636 -14.647 -13.255 112 HB3 SER 18 HB3 SER 18 -6.296 -14.224 -14.302 113 HG SER 18 HG SER 18 -7.094 -16.538 -14.328 114 H LYS 19 H LYS 19 -6.468 -11.903 -12.611 115 HA LYS 19 HA LYS 19 -4.310 -10.990 -14.071 116 HB2 LYS 19 HB2 LYS 19 -6.641 -9.958 -13.656 117 HB3 LYS 19 HB3 LYS 19 -5.937 -9.250 -12.216 118 HG2 LYS 19 HG2 LYS 19 -4.155 -8.181 -13.596 119 HG3 LYS 19 HG3 LYS 19 -4.821 -8.914 -15.041 120 HD2 LYS 19 HD2 LYS 19 -6.567 -7.418 -15.164 121 HD3 LYS 19 HD3 LYS 19 -6.806 -7.390 -13.428 122 HE2 LYS 19 HE2 LYS 19 -4.456 -6.101 -13.447 123 HE3 LYS 19 HE3 LYS 19 -4.897 -5.754 -15.107 124 HZ1 LYS 19 HZ1 LYS 19 -5.829 -4.438 -12.867 125 HZ2 LYS 19 HZ2 LYS 19 -6.385 -4.250 -14.386 126 HZ3 LYS 19 HZ3 LYS 19 -7.079 -5.351 -13.396 127 H LEU 20 H LEU 20 -4.886 -10.996 -10.505 128 HA LEU 20 HA LEU 20 -2.550 -9.595 -9.865 129 HB2 LEU 20 HB2 LEU 20 -4.592 -11.202 -8.467 130 HB3 LEU 20 HB3 LEU 20 -3.030 -11.130 -7.676 131 HG LEU 20 HG LEU 20 -4.439 -8.622 -8.585 132 HD11 LEU 20 HD11 LEU 20 -5.843 -10.165 -7.036 133 HD12 LEU 20 HD12 LEU 20 -4.698 -9.652 -5.773 134 HD13 LEU 20 HD13 LEU 20 -5.675 -8.439 -6.635 135 HD21 LEU 20 HD21 LEU 20 -1.953 -8.737 -7.885 136 HD22 LEU 20 HD22 LEU 20 -2.987 -7.471 -7.182 137 HD23 LEU 20 HD23 LEU 20 -2.587 -8.922 -6.232 138 H ILE 21 H ILE 21 -3.178 -12.936 -10.820 139 HA ILE 21 HA ILE 21 -0.621 -13.842 -9.847 140 HB ILE 21 HB ILE 21 -2.875 -15.118 -11.382 141 HG12 ILE 21 HG12 ILE 21 -1.794 -15.959 -8.702 142 HG13 ILE 21 HG13 ILE 21 -2.899 -14.604 -8.819 143 HG21 ILE 21 HG21 ILE 21 -1.081 -16.247 -12.323 144 HG22 ILE 21 HG22 ILE 21 -0.106 -16.157 -10.837 145 HG23 ILE 21 HG23 ILE 21 -1.496 -17.264 -10.923 146 HD11 ILE 21 HD11 ILE 21 -4.221 -16.400 -10.398 147 HD12 ILE 21 HD12 ILE 21 -3.402 -17.511 -9.274 148 HD13 ILE 21 HD13 ILE 21 -4.492 -16.252 -8.645 149 H ARG 22 H ARG 22 -1.940 -12.267 -12.657 150 HA ARG 22 HA ARG 22 -0.226 -13.311 -14.562 151 HB2 ARG 22 HB2 ARG 22 -2.290 -11.390 -14.462 152 HB3 ARG 22 HB3 ARG 22 -0.891 -10.461 -14.964 153 HG2 ARG 22 HG2 ARG 22 -1.242 -13.102 -16.328 154 HG3 ARG 22 HG3 ARG 22 -2.462 -11.898 -16.690 155 HD2 ARG 22 HD2 ARG 22 -0.914 -10.415 -17.673 156 HD3 ARG 22 HD3 ARG 22 0.442 -11.058 -16.769 157 HE ARG 22 HE ARG 22 -0.299 -13.217 -18.304 158 HH11 ARG 22 HH22 ARG 22 0.384 -9.836 -19.114 159 HH12 ARG 22 HH21 ARG 22 0.946 -10.203 -20.711 160 HH21 ARG 22 HH12 ARG 22 0.434 -13.679 -20.380 161 HH22 ARG 22 HH11 ARG 22 0.973 -12.409 -21.430 162 H LYS 23 H LYS 23 -0.056 -10.243 -12.606 163 HA LYS 23 HA LYS 23 2.665 -9.826 -13.492 164 HB2 LYS 23 HB2 LYS 23 2.490 -7.690 -12.434 165 HB3 LYS 23 HB3 LYS 23 1.013 -7.966 -13.335 166 HG2 LYS 23 HG2 LYS 23 1.094 -8.816 -10.437 167 HG3 LYS 23 HG3 LYS 23 0.960 -7.105 -10.793 168 HD2 LYS 23 HD2 LYS 23 -0.910 -8.218 -12.539 169 HD3 LYS 23 HD3 LYS 23 -1.044 -9.262 -11.138 170 HE2 LYS 23 HE2 LYS 23 -1.942 -7.605 -9.816 171 HE3 LYS 23 HE3 LYS 23 -0.894 -6.364 -10.475 172 HZ1 LYS 23 HZ1 LYS 23 -3.222 -7.487 -11.940 173 HZ2 LYS 23 HZ2 LYS 23 -3.260 -6.085 -11.114 174 HZ3 LYS 23 HZ3 LYS 23 -2.253 -6.249 -12.394 175 H ALA 24 H ALA 24 4.400 -9.379 -11.833 176 HA ALA 24 HA ALA 24 4.201 -11.434 -9.767 177 HB1 ALA 24 HB1 ALA 24 6.070 -11.605 -11.338 178 HB2 ALA 24 HB2 ALA 24 6.566 -9.937 -10.967 179 HB3 ALA 24 HB3 ALA 24 6.681 -11.198 -9.717 180 H LYS 25 H LYS 25 3.023 -10.417 -8.116 181 HA LYS 25 HA LYS 25 4.481 -8.776 -6.401 182 HB2 LYS 25 HB2 LYS 25 3.219 -6.670 -6.574 183 HB3 LYS 25 HB3 LYS 25 4.162 -7.001 -8.013 184 HG2 LYS 25 HG2 LYS 25 2.303 -7.017 -9.315 185 HG3 LYS 25 HG3 LYS 25 1.531 -8.213 -8.293 186 HD2 LYS 25 HD2 LYS 25 0.080 -6.354 -8.116 187 HD3 LYS 25 HD3 LYS 25 1.043 -6.237 -6.657 188 HE2 LYS 25 HE2 LYS 25 1.895 -4.793 -9.194 189 HE3 LYS 25 HE3 LYS 25 0.712 -4.081 -8.115 190 HZ1 LYS 25 HZ1 LYS 25 3.216 -3.601 -7.725 191 HZ2 LYS 25 HZ2 LYS 25 2.284 -3.892 -6.422 192 HZ3 LYS 25 HZ3 LYS 25 3.217 -5.086 -7.038 193 H GLU 26 H GLU 26 3.785 -10.492 -5.027 194 HA GLU 26 HA GLU 26 1.291 -9.930 -3.824 195 HB2 GLU 26 HB2 GLU 26 0.447 -12.352 -4.112 196 HB3 GLU 26 HB3 GLU 26 0.268 -11.279 -5.486 197 HG2 GLU 26 HG2 GLU 26 2.718 -12.246 -6.088 198 HG3 GLU 26 HG3 GLU 26 2.162 -13.591 -5.113 199 H ALA 27 H ALA 27 3.652 -12.671 -4.263 200 HA ALA 27 HA ALA 27 3.642 -13.178 -1.439 201 HB1 ALA 27 HB1 ALA 27 4.290 -15.191 -2.191 202 HB2 ALA 27 HB2 ALA 27 4.330 -14.548 -3.850 203 HB3 ALA 27 HB3 ALA 27 5.791 -14.484 -2.835 204 HA PRO 28 HA PRO 28 7.945 -11.290 -1.898 205 HB2 PRO 28 HB2 PRO 28 8.780 -10.262 -4.288 206 HB3 PRO 28 HB3 PRO 28 9.152 -11.892 -3.764 207 HG2 PRO 28 HG2 PRO 28 7.190 -11.000 -5.786 208 HG3 PRO 28 HG3 PRO 28 7.876 -12.595 -5.551 209 HD2 PRO 28 HD2 PRO 28 5.251 -11.726 -4.789 210 HD3 PRO 28 HD3 PRO 28 5.978 -13.284 -4.452 211 H PHE 29 H PHE 29 8.441 -9.368 -0.968 212 HA PHE 29 HA PHE 29 6.432 -7.340 -1.458 213 HB2 PHE 29 HB2 PHE 29 7.164 -6.546 0.676 214 HB3 PHE 29 HB3 PHE 29 7.466 -8.266 0.817 215 HD1 PHE 29 HD2 PHE 29 9.821 -9.115 0.383 216 HD2 PHE 29 HD1 PHE 29 8.923 -4.996 0.870 217 HE1 PHE 29 HE2 PHE 29 12.234 -8.649 0.893 218 HE2 PHE 29 HE1 PHE 29 11.336 -4.530 1.380 219 HZ PHE 29 HZ PHE 29 12.963 -6.363 1.386 220 H VAL 30 H VAL 30 9.500 -8.194 -2.678 221 HA VAL 30 HA VAL 30 10.947 -5.906 -2.802 222 HB VAL 30 HB VAL 30 10.635 -8.350 -4.373 223 HG11 VAL 30 HG11 VAL 30 12.053 -7.445 -6.279 224 HG12 VAL 30 HG12 VAL 30 10.340 -6.964 -6.280 225 HG13 VAL 30 HG13 VAL 30 11.586 -5.816 -5.733 226 HG21 VAL 30 HG21 VAL 30 12.454 -8.449 -2.987 227 HG22 VAL 30 HG22 VAL 30 13.248 -7.829 -4.455 228 HG23 VAL 30 HG23 VAL 30 12.810 -6.712 -3.141 229 HA PRO 31 HA PRO 31 8.247 -4.429 -6.392 230 HB2 PRO 31 HB2 PRO 31 5.932 -5.744 -7.008 231 HB3 PRO 31 HB3 PRO 31 7.449 -6.034 -7.837 232 HG2 PRO 31 HG2 PRO 31 6.088 -7.713 -5.820 233 HG3 PRO 31 HG3 PRO 31 7.348 -8.161 -6.952 234 HD2 PRO 31 HD2 PRO 31 7.662 -7.658 -4.146 235 HD3 PRO 31 HD3 PRO 31 8.938 -7.992 -5.300 236 H VAL 32 H VAL 32 6.831 -5.588 -3.505 237 HA VAL 32 HA VAL 32 4.615 -3.842 -3.510 238 HB VAL 32 HB VAL 32 6.105 -5.270 -1.301 239 HG11 VAL 32 HG11 VAL 32 4.463 -4.685 0.231 240 HG12 VAL 32 HG12 VAL 32 4.652 -3.179 -0.699 241 HG13 VAL 32 HG13 VAL 32 3.282 -4.265 -1.032 242 HG21 VAL 32 HG21 VAL 32 4.980 -6.631 -3.135 243 HG22 VAL 32 HG22 VAL 32 4.460 -6.973 -1.467 244 HG23 VAL 32 HG23 VAL 32 3.433 -5.986 -2.534 245 H GLY 33 H GLY 33 7.948 -3.665 -2.108 246 HA2 GLY 33 HA2 GLY 33 7.547 -1.085 -0.960 247 HA3 GLY 33 HA3 GLY 33 9.063 -1.938 -1.173 248 H ILE 34 H ILE 34 9.366 -2.295 -3.874 249 HA ILE 34 HA ILE 34 10.217 0.186 -4.743 250 HB ILE 34 HB ILE 34 9.626 -2.378 -6.214 251 HG12 ILE 34 HG12 ILE 34 12.294 -1.173 -5.446 252 HG13 ILE 34 HG13 ILE 34 11.422 -2.287 -4.412 253 HG21 ILE 34 HG21 ILE 34 11.506 -0.698 -7.592 254 HG22 ILE 34 HG22 ILE 34 9.979 -1.404 -8.174 255 HG23 ILE 34 HG23 ILE 34 9.974 0.180 -7.362 256 HD11 ILE 34 HD11 ILE 34 12.794 -2.795 -7.028 257 HD12 ILE 34 HD12 ILE 34 12.674 -3.833 -5.587 258 HD13 ILE 34 HD13 ILE 34 11.301 -3.712 -6.713 259 H ALA 35 H ALA 35 7.433 -1.723 -6.102 260 HA ALA 35 HA ALA 35 6.410 0.387 -7.582 261 HB1 ALA 35 HB1 ALA 35 4.572 -1.040 -7.954 262 HB2 ALA 35 HB2 ALA 35 5.909 -2.164 -7.612 263 HB3 ALA 35 HB3 ALA 35 4.712 -1.793 -6.348 264 H GLY 36 H GLY 36 5.260 -0.896 -4.374 265 HA2 GLY 36 HA2 GLY 36 3.303 0.797 -3.726 266 HA3 GLY 36 HA3 GLY 36 4.508 0.265 -2.570 267 H PHE 37 H PHE 37 6.842 1.572 -3.529 268 HA PHE 37 HA PHE 37 6.469 4.117 -2.422 269 HB2 PHE 37 HB2 PHE 37 8.565 2.429 -3.736 270 HB3 PHE 37 HB3 PHE 37 8.837 4.146 -3.952 271 HD1 PHE 37 HD2 PHE 37 8.147 5.400 -1.502 272 HD2 PHE 37 HD1 PHE 37 9.915 1.586 -2.079 273 HE1 PHE 37 HE2 PHE 37 9.166 5.526 0.788 274 HE2 PHE 37 HE1 PHE 37 10.935 1.712 0.211 275 HZ PHE 37 HZ PHE 37 10.548 3.681 1.618 276 H ALA 38 H ALA 38 7.174 3.079 -5.838 277 HA ALA 38 HA ALA 38 7.122 5.590 -6.966 278 HB1 ALA 38 HB1 ALA 38 6.223 4.095 -8.998 279 HB2 ALA 38 HB2 ALA 38 7.895 3.961 -8.403 280 HB3 ALA 38 HB3 ALA 38 6.671 2.775 -7.892 281 H ALA 39 H ALA 39 4.396 3.180 -6.836 282 HA ALA 39 HA ALA 39 2.453 4.808 -7.873 283 HB1 ALA 39 HB1 ALA 39 2.449 2.297 -7.214 284 HB2 ALA 39 HB2 ALA 39 1.940 2.867 -5.606 285 HB3 ALA 39 HB3 ALA 39 0.932 3.211 -7.032 286 H ILE 40 H ILE 40 3.139 4.246 -4.341 287 HA ILE 40 HA ILE 40 1.406 5.967 -3.244 288 HB ILE 40 HB ILE 40 4.218 5.221 -2.537 289 HG12 ILE 40 HG12 ILE 40 1.668 4.689 -1.012 290 HG13 ILE 40 HG13 ILE 40 2.155 3.682 -2.361 291 HG21 ILE 40 HG21 ILE 40 2.451 7.150 -1.013 292 HG22 ILE 40 HG22 ILE 40 3.866 6.320 -0.322 293 HG23 ILE 40 HG23 ILE 40 4.074 7.452 -1.680 294 HD11 ILE 40 HD11 ILE 40 3.337 3.905 0.363 295 HD12 ILE 40 HD12 ILE 40 3.298 2.517 -0.752 296 HD13 ILE 40 HD13 ILE 40 4.518 3.796 -0.965 297 H VAL 41 H VAL 41 4.736 6.906 -4.365 298 HA VAL 41 HA VAL 41 4.617 9.561 -3.860 299 HB VAL 41 HB VAL 41 5.852 7.969 -6.094 300 HG11 VAL 41 HG11 VAL 41 7.113 9.899 -6.815 301 HG12 VAL 41 HG12 VAL 41 5.378 10.282 -6.913 302 HG13 VAL 41 HG13 VAL 41 6.354 10.917 -5.567 303 HG21 VAL 41 HG21 VAL 41 6.609 8.834 -3.385 304 HG22 VAL 41 HG22 VAL 41 7.226 7.492 -4.379 305 HG23 VAL 41 HG23 VAL 41 7.858 9.139 -4.616 306 H ALA 42 H ALA 42 3.539 7.959 -6.943 307 HA ALA 42 HA ALA 42 2.566 10.200 -8.183 308 HB1 ALA 42 HB1 ALA 42 1.423 7.378 -8.256 309 HB2 ALA 42 HB2 ALA 42 1.233 8.631 -9.507 310 HB3 ALA 42 HB3 ALA 42 2.838 7.934 -9.181 311 H TYR 43 H TYR 43 0.650 7.822 -6.200 312 HA TYR 43 HA TYR 43 -1.749 9.024 -6.193 313 HB2 TYR 43 HB2 TYR 43 -0.474 6.998 -4.851 314 HB3 TYR 43 HB3 TYR 43 -0.494 8.176 -3.554 315 HD1 TYR 43 HD1 TYR 43 -2.573 6.030 -5.710 316 HD2 TYR 43 HD2 TYR 43 -2.574 8.807 -2.455 317 HE1 TYR 43 HE1 TYR 43 -4.952 5.353 -5.123 318 HE2 TYR 43 HE2 TYR 43 -4.953 8.121 -1.880 319 HH TYR 43 HH TYR 43 -6.440 6.367 -2.178 320 H GLY 44 H GLY 44 0.813 9.719 -3.700 321 HA2 GLY 44 HA2 GLY 44 -0.475 11.765 -2.386 322 HA3 GLY 44 HA3 GLY 44 1.263 11.589 -2.535 323 H LEU 45 H LEU 45 1.981 12.112 -5.056 324 HA LEU 45 HA LEU 45 1.988 14.776 -5.342 325 HB2 LEU 45 HB2 LEU 45 2.510 12.471 -7.022 326 HB3 LEU 45 HB3 LEU 45 1.920 13.824 -7.967 327 HG LEU 45 HG LEU 45 3.794 15.052 -6.382 328 HD11 LEU 45 HD11 LEU 45 5.320 13.662 -5.575 329 HD12 LEU 45 HD12 LEU 45 4.327 12.287 -6.116 330 HD13 LEU 45 HD13 LEU 45 5.581 12.956 -7.188 331 HD21 LEU 45 HD21 LEU 45 4.317 13.777 -9.081 332 HD22 LEU 45 HD22 LEU 45 3.437 15.302 -8.820 333 HD23 LEU 45 HD23 LEU 45 5.156 15.178 -8.373 334 H TYR 46 H TYR 46 -0.468 12.528 -6.775 335 HA TYR 46 HA TYR 46 -1.965 14.541 -8.012 336 HB2 TYR 46 HB2 TYR 46 -1.978 11.962 -8.284 337 HB3 TYR 46 HB3 TYR 46 -2.811 11.862 -6.745 338 HD1 TYR 46 HD1 TYR 46 -5.152 12.647 -6.526 339 HD2 TYR 46 HD2 TYR 46 -3.138 12.643 -10.300 340 HE1 TYR 46 HE1 TYR 46 -7.381 12.888 -7.724 341 HE2 TYR 46 HE2 TYR 46 -5.374 12.884 -11.486 342 HH TYR 46 HH TYR 46 -8.029 12.121 -10.491 343 H LYS 47 H LYS 47 -2.283 12.942 -4.775 344 HA LYS 47 HA LYS 47 -4.629 14.146 -3.999 345 HB2 LYS 47 HB2 LYS 47 -2.394 12.745 -2.729 346 HB3 LYS 47 HB3 LYS 47 -3.127 13.933 -1.671 347 HG2 LYS 47 HG2 LYS 47 -5.389 12.810 -2.726 348 HG3 LYS 47 HG3 LYS 47 -4.307 11.436 -2.833 349 HD2 LYS 47 HD2 LYS 47 -3.752 12.372 -0.281 350 HD3 LYS 47 HD3 LYS 47 -5.456 12.755 -0.427 351 HE2 LYS 47 HE2 LYS 47 -6.055 10.568 -0.237 352 HE3 LYS 47 HE3 LYS 47 -4.926 10.077 -1.483 353 HZ1 LYS 47 HZ1 LYS 47 -4.593 9.980 1.369 354 HZ2 LYS 47 HZ2 LYS 47 -3.791 9.152 0.218 355 HZ3 LYS 47 HZ3 LYS 47 -3.337 10.681 0.586 356 H LEU 48 H LEU 48 -1.224 15.323 -3.608 357 HA LEU 48 HA LEU 48 -1.625 17.565 -2.181 358 HB2 LEU 48 HB2 LEU 48 0.443 16.489 -3.497 359 HB3 LEU 48 HB3 LEU 48 0.106 17.824 -4.581 360 HG LEU 48 HG LEU 48 1.823 18.444 -2.996 361 HD11 LEU 48 HD11 LEU 48 0.759 20.382 -3.536 362 HD12 LEU 48 HD12 LEU 48 -0.818 19.825 -2.925 363 HD13 LEU 48 HD13 LEU 48 0.439 20.365 -1.785 364 HD21 LEU 48 HD21 LEU 48 1.427 18.564 -0.591 365 HD22 LEU 48 HD22 LEU 48 -0.199 17.874 -0.811 366 HD23 LEU 48 HD23 LEU 48 1.241 16.898 -1.189 367 H LYS 49 H LYS 49 -1.835 17.430 -5.811 368 HA LYS 49 HA LYS 49 -2.896 20.024 -6.001 369 HB2 LYS 49 HB2 LYS 49 -1.933 18.049 -7.741 370 HB3 LYS 49 HB3 LYS 49 -3.606 18.270 -8.211 371 HG2 LYS 49 HG2 LYS 49 -1.809 20.672 -7.719 372 HG3 LYS 49 HG3 LYS 49 -1.784 19.841 -9.262 373 HD2 LYS 49 HD2 LYS 49 -3.968 20.482 -9.813 374 HD3 LYS 49 HD3 LYS 49 -4.477 20.592 -8.139 375 HE2 LYS 49 HE2 LYS 49 -2.833 22.614 -7.960 376 HE3 LYS 49 HE3 LYS 49 -2.794 22.583 -9.711 377 HZ1 LYS 49 HZ1 LYS 49 -5.450 22.481 -9.191 378 HZ2 LYS 49 HZ2 LYS 49 -4.935 23.436 -7.977 379 HZ3 LYS 49 HZ3 LYS 49 -4.584 23.829 -9.526 380 H SER 50 H SER 50 -4.950 20.813 -5.834 381 HA SER 50 HA SER 50 -6.945 18.851 -5.089 382 HB2 SER 50 HB2 SER 50 -6.471 20.829 -3.595 383 HB3 SER 50 HB3 SER 50 -7.032 21.893 -4.870 384 HG SER 50 HG SER 50 -8.547 20.909 -3.011 385 H ARG 51 H ARG 51 -8.439 18.210 -6.595 386 HA ARG 51 HA ARG 51 -9.309 20.187 -8.504 387 HB2 ARG 51 HB2 ARG 51 -7.624 17.864 -9.148 388 HB3 ARG 51 HB3 ARG 51 -9.142 17.793 -10.020 389 HG2 ARG 51 HG2 ARG 51 -8.045 20.516 -10.047 390 HG3 ARG 51 HG3 ARG 51 -6.881 19.366 -10.675 391 HD2 ARG 51 HD2 ARG 51 -8.087 19.837 -12.621 392 HD3 ARG 51 HD3 ARG 51 -8.965 18.433 -12.047 393 HE ARG 51 HE ARG 51 -10.002 20.961 -10.984 394 HH11 ARG 51 HH22 ARG 51 -10.181 18.663 -13.674 395 HH12 ARG 51 HH21 ARG 51 -11.767 19.162 -14.158 396 HH21 ARG 51 HH12 ARG 51 -12.061 21.600 -11.623 397 HH22 ARG 51 HH11 ARG 51 -12.840 20.848 -12.977 398 H GLY 52 H GLY 52 -9.556 16.679 -7.545 399 HA2 GLY 52 HA2 GLY 52 -12.391 16.638 -8.148 400 HA3 GLY 52 HA3 GLY 52 -11.393 15.314 -7.581 401 H ASN 53 H ASN 53 -12.230 14.569 -5.677 402 HA ASN 53 HA ASN 53 -12.740 16.599 -3.655 403 HB2 ASN 53 HB2 ASN 53 -14.703 14.944 -4.871 404 HB3 ASN 53 HB3 ASN 53 -14.388 14.178 -3.327 405 HD21 ASN 53 HD21 ASN 53 -16.763 14.956 -3.343 406 HD22 ASN 53 HD22 ASN 53 -17.075 16.472 -2.565 407 H THR 54 H THR 54 -10.831 16.161 -2.444 408 HA THR 54 HA THR 54 -10.772 13.619 -1.070 409 HB THR 54 HB THR 54 -8.619 14.527 -3.040 410 HG1 THR 54 HG1 THR 54 -10.198 12.124 -2.446 411 HG21 THR 54 HG21 THR 54 -8.507 12.342 -0.893 412 HG22 THR 54 HG22 THR 54 -7.332 12.531 -2.217 413 HG23 THR 54 HG23 THR 54 -7.467 13.785 -0.961 414 H LYS 55 H LYS 55 -9.787 13.722 0.938 415 HA LYS 55 HA LYS 55 -8.980 16.442 1.684 416 HB2 LYS 55 HB2 LYS 55 -10.985 14.905 2.739 417 HB3 LYS 55 HB3 LYS 55 -9.660 14.514 3.817 418 HG2 LYS 55 HG2 LYS 55 -9.274 16.889 4.306 419 HG3 LYS 55 HG3 LYS 55 -10.437 17.376 3.088 420 HD2 LYS 55 HD2 LYS 55 -11.903 15.610 4.708 421 HD3 LYS 55 HD3 LYS 55 -10.898 16.469 5.858 422 HE2 LYS 55 HE2 LYS 55 -11.688 18.604 4.413 423 HE3 LYS 55 HE3 LYS 55 -13.032 17.550 4.021 424 HZ1 LYS 55 HZ1 LYS 55 -13.017 19.024 6.209 425 HZ2 LYS 55 HZ2 LYS 55 -13.766 17.579 6.182 426 HZ3 LYS 55 HZ3 LYS 55 -12.252 17.700 6.792 427 H MET 56 H MET 56 -7.101 16.738 3.008 428 HA MET 56 HA MET 56 -5.540 14.630 3.880 429 HB2 MET 56 HB2 MET 56 -5.257 14.351 1.346 430 HB3 MET 56 HB3 MET 56 -4.532 15.945 1.297 431 HG2 MET 56 HG2 MET 56 -3.063 14.730 3.320 432 HG3 MET 56 HG3 MET 56 -3.378 13.376 2.253 433 HE1 MET 56 HE1 MET 56 -0.257 13.737 0.362 434 HE2 MET 56 HE2 MET 56 -1.071 12.968 1.745 435 HE3 MET 56 HE3 MET 56 -1.825 12.926 0.133 436 H SER 57 H SER 57 -5.279 15.932 5.724 437 HA SER 57 HA SER 57 -3.150 17.642 5.754 438 HB2 SER 57 HB2 SER 57 -5.148 19.007 4.520 439 HB3 SER 57 HB3 SER 57 -5.555 19.382 6.182 440 HG SER 57 HG SER 57 -3.567 20.433 4.633 441 H ILE 58 H ILE 58 -2.487 17.709 7.894 442 HA ILE 58 HA ILE 58 -4.398 16.730 9.850 443 HB ILE 58 HB ILE 58 -2.190 15.675 9.600 444 HG12 ILE 58 HG12 ILE 58 -1.637 16.367 12.235 445 HG13 ILE 58 HG13 ILE 58 -3.349 16.709 12.081 446 HG21 ILE 58 HG21 ILE 58 -0.376 16.915 9.302 447 HG22 ILE 58 HG22 ILE 58 -1.276 18.402 9.686 448 HG23 ILE 58 HG23 ILE 58 -0.510 17.463 10.990 449 HD11 ILE 58 HD11 ILE 58 -2.085 14.091 11.158 450 HD12 ILE 58 HD12 ILE 58 -2.809 14.325 12.767 451 HD13 ILE 58 HD13 ILE 58 -3.821 14.454 11.309 452 H HIS 59 H HIS 59 -2.612 19.651 8.898 453 HA HIS 59 HA HIS 59 -4.327 21.337 10.231 454 HB2 HIS 59 HB2 HIS 59 -2.397 20.161 12.001 455 HB3 HIS 59 HB3 HIS 59 -2.035 21.867 11.836 456 HD1 HIS 59 HD1 HIS 59 -3.192 20.538 14.469 457 HD2 HIS 59 HD2 HIS 59 -5.436 22.597 11.584 458 HE1 HIS 59 HE1 HIS 59 -5.301 21.352 15.651 459 H LEU 60 H LEU 60 -0.709 21.135 9.869 460 HA LEU 60 HA LEU 60 -0.801 22.858 7.594 461 HB2 LEU 60 HB2 LEU 60 -0.412 23.986 10.264 462 HB3 LEU 60 HB3 LEU 60 0.902 24.356 9.165 463 HG LEU 60 HG LEU 60 -1.858 24.773 8.128 464 HD11 LEU 60 HD11 LEU 60 -2.486 25.884 9.983 465 HD12 LEU 60 HD12 LEU 60 -0.814 26.114 10.549 466 HD13 LEU 60 HD13 LEU 60 -1.484 27.184 9.295 467 HD21 LEU 60 HD21 LEU 60 -0.495 25.563 6.532 468 HD22 LEU 60 HD22 LEU 60 -0.396 27.007 7.568 469 HD23 LEU 60 HD23 LEU 60 0.874 25.762 7.652 470 H ILE 61 H ILE 61 1.578 22.250 10.271 471 HA ILE 61 HA ILE 61 3.602 21.606 8.394 472 HB ILE 61 HB ILE 61 3.452 21.266 11.391 473 HG12 ILE 61 HG12 ILE 61 3.184 23.598 10.538 474 HG13 ILE 61 HG13 ILE 61 4.587 23.356 11.559 475 HG21 ILE 61 HG21 ILE 61 6.066 21.499 10.007 476 HG22 ILE 61 HG22 ILE 61 5.602 20.569 11.452 477 HG23 ILE 61 HG23 ILE 61 5.204 19.952 9.831 478 HD11 ILE 61 HD11 ILE 61 6.047 23.844 9.875 479 HD12 ILE 61 HD12 ILE 61 5.145 22.865 8.693 480 HD13 ILE 61 HD13 ILE 61 4.628 24.531 9.047 481 H HIS 62 H HIS 62 2.212 19.989 7.184 482 HA HIS 62 HA HIS 62 2.239 17.410 8.565 483 HB2 HIS 62 HB2 HIS 62 0.059 18.354 7.676 484 HB3 HIS 62 HB3 HIS 62 0.707 18.149 6.061 485 HD1 HIS 62 HD1 HIS 62 -1.125 16.382 5.478 486 HD2 HIS 62 HD2 HIS 62 1.379 15.293 8.663 487 HE1 HIS 62 HE1 HIS 62 -1.544 13.901 5.901 488 H MET 63 H MET 63 2.913 19.000 5.372 489 HA MET 63 HA MET 63 4.343 18.549 3.799 490 HB2 MET 63 HB2 MET 63 5.713 17.843 6.307 491 HB3 MET 63 HB3 MET 63 6.316 16.855 4.990 492 HG2 MET 63 HG2 MET 63 6.150 19.444 3.874 493 HG3 MET 63 HG3 MET 63 6.730 19.724 5.503 494 HE1 MET 63 HE1 MET 63 10.225 18.604 5.581 495 HE2 MET 63 HE2 MET 63 9.340 20.144 5.463 496 HE3 MET 63 HE3 MET 63 8.740 18.853 6.530 497 H ARG 64 H ARG 64 3.766 17.218 2.142 498 HA ARG 64 HA ARG 64 2.562 14.818 2.473 499 HB2 ARG 64 HB2 ARG 64 3.307 14.420 0.012 500 HB3 ARG 64 HB3 ARG 64 2.371 15.866 0.336 501 HG2 ARG 64 HG2 ARG 64 5.094 16.592 0.785 502 HG3 ARG 64 HG3 ARG 64 5.094 15.637 -0.685 503 HD2 ARG 64 HD2 ARG 64 3.253 17.092 -1.606 504 HD3 ARG 64 HD3 ARG 64 3.313 18.066 -0.150 505 HE ARG 64 HE ARG 64 5.270 19.086 -0.936 506 HH11 ARG 64 HH22 ARG 64 4.708 16.115 -2.784 507 HH12 ARG 64 HH21 ARG 64 5.978 16.434 -3.919 508 HH21 ARG 64 HH12 ARG 64 6.917 19.487 -2.416 509 HH22 ARG 64 HH11 ARG 64 7.241 18.369 -3.701 510 H VAL 65 H VAL 65 6.048 15.607 2.173 511 HA VAL 65 HA VAL 65 6.939 12.967 1.780 512 HB VAL 65 HB VAL 65 8.312 15.410 2.917 513 HG11 VAL 65 HG11 VAL 65 9.880 13.288 1.552 514 HG12 VAL 65 HG12 VAL 65 10.297 14.311 2.948 515 HG13 VAL 65 HG13 VAL 65 9.253 12.887 3.169 516 HG21 VAL 65 HG21 VAL 65 7.285 15.411 0.517 517 HG22 VAL 65 HG22 VAL 65 8.952 15.989 0.758 518 HG23 VAL 65 HG23 VAL 65 8.660 14.353 0.119 519 H ALA 66 H ALA 66 7.066 15.073 4.747 520 HA ALA 66 HA ALA 66 7.890 13.165 6.509 521 HB1 ALA 66 HB1 ALA 66 6.228 14.660 8.056 522 HB2 ALA 66 HB2 ALA 66 7.822 15.222 7.499 523 HB3 ALA 66 HB3 ALA 66 6.351 15.712 6.626 524 H ALA 67 H ALA 67 4.438 14.077 5.798 525 HA ALA 67 HA ALA 67 3.228 12.189 7.356 526 HB1 ALA 67 HB1 ALA 67 2.095 12.757 4.639 527 HB2 ALA 67 HB2 ALA 67 1.310 12.807 6.236 528 HB3 ALA 67 HB3 ALA 67 2.378 14.137 5.727 529 H GLN 68 H GLN 68 4.825 11.833 4.177 530 HA GLN 68 HA GLN 68 3.790 9.297 3.644 531 HB2 GLN 68 HB2 GLN 68 5.639 11.162 2.442 532 HB3 GLN 68 HB3 GLN 68 6.387 9.578 2.450 533 HG2 GLN 68 HG2 GLN 68 3.499 9.761 1.602 534 HG3 GLN 68 HG3 GLN 68 4.715 10.346 0.484 535 HE21 GLN 68 HE21 GLN 68 3.809 7.591 2.514 536 HE22 GLN 68 HE22 GLN 68 4.481 6.342 1.520 537 H GLY 69 H GLY 69 6.736 10.474 5.348 538 HA2 GLY 69 HA2 GLY 69 8.040 8.018 5.646 539 HA3 GLY 69 HA3 GLY 69 8.218 9.428 6.672 540 H PHE 70 H PHE 70 5.763 9.776 7.878 541 HA PHE 70 HA PHE 70 5.803 7.837 9.867 542 HB2 PHE 70 HB2 PHE 70 4.755 10.347 9.465 543 HB3 PHE 70 HB3 PHE 70 3.298 9.410 9.196 544 HD1 PHE 70 HD1 PHE 70 5.883 10.266 11.677 545 HD2 PHE 70 HD2 PHE 70 2.145 8.371 11.011 546 HE1 PHE 70 HE1 PHE 70 5.505 10.139 14.155 547 HE2 PHE 70 HE2 PHE 70 1.767 8.245 13.489 548 HZ PHE 70 HZ PHE 70 3.452 9.130 15.032 549 H VAL 71 H VAL 71 3.768 8.205 6.921 550 HA VAL 71 HA VAL 71 1.928 6.195 7.602 551 HB VAL 71 HB VAL 71 2.801 7.487 5.023 552 HG11 VAL 71 HG11 VAL 71 1.954 5.720 3.925 553 HG12 VAL 71 HG12 VAL 71 1.211 5.047 5.396 554 HG13 VAL 71 HG13 VAL 71 0.365 6.308 4.469 555 HG21 VAL 71 HG21 VAL 71 0.022 7.798 5.802 556 HG22 VAL 71 HG22 VAL 71 1.115 8.304 7.113 557 HG23 VAL 71 HG23 VAL 71 1.264 9.037 5.497 558 H VAL 72 H VAL 72 4.644 6.108 5.179 559 HA VAL 72 HA VAL 72 4.588 3.443 4.662 560 HB VAL 72 HB VAL 72 6.858 3.679 3.938 561 HG11 VAL 72 HG11 VAL 72 6.322 6.384 3.187 562 HG12 VAL 72 HG12 VAL 72 6.099 4.898 2.234 563 HG13 VAL 72 HG13 VAL 72 4.774 5.508 3.253 564 HG21 VAL 72 HG21 VAL 72 7.676 4.788 6.048 565 HG22 VAL 72 HG22 VAL 72 8.316 5.483 4.539 566 HG23 VAL 72 HG23 VAL 72 7.016 6.319 5.423 567 H GLY 73 H GLY 73 5.804 5.128 7.555 568 HA2 GLY 73 HA2 GLY 73 7.324 3.035 8.647 569 HA3 GLY 73 HA3 GLY 73 6.589 4.366 9.518 570 H ALA 74 H ALA 74 3.973 4.137 9.558 571 HA ALA 74 HA ALA 74 3.455 1.930 11.175 572 HB1 ALA 74 HB1 ALA 74 1.566 3.095 11.587 573 HB2 ALA 74 HB2 ALA 74 2.227 4.335 10.496 574 HB3 ALA 74 HB3 ALA 74 1.103 3.106 9.869 575 H MET 75 H MET 75 3.377 2.390 7.673 576 HA MET 75 HA MET 75 1.642 0.249 7.142 577 HB2 MET 75 HB2 MET 75 3.602 1.973 5.609 578 HB3 MET 75 HB3 MET 75 3.070 0.493 4.835 579 HG2 MET 75 HG2 MET 75 0.652 1.459 5.702 580 HG3 MET 75 HG3 MET 75 1.511 2.969 5.472 581 HE1 MET 75 HE1 MET 75 0.488 -0.440 3.778 582 HE2 MET 75 HE2 MET 75 -0.825 0.750 3.947 583 HE3 MET 75 HE3 MET 75 -0.246 0.287 2.329 584 H THR 76 H THR 76 5.255 0.601 7.071 585 HA THR 76 HA THR 76 5.803 -2.017 6.275 586 HB THR 76 HB THR 76 8.065 -1.414 7.398 587 HG1 THR 76 HG1 THR 76 8.049 0.779 8.233 588 HG21 THR 76 HG21 THR 76 6.661 0.091 5.227 589 HG22 THR 76 HG22 THR 76 8.039 0.942 5.966 590 HG23 THR 76 HG23 THR 76 8.277 -0.656 5.220 591 H VAL 77 H VAL 77 5.559 -0.599 9.598 592 HA VAL 77 HA VAL 77 6.136 -2.992 10.912 593 HB VAL 77 HB VAL 77 5.130 -1.877 12.855 594 HG11 VAL 77 HG11 VAL 77 6.929 -0.166 11.109 595 HG12 VAL 77 HG12 VAL 77 6.600 0.161 12.827 596 HG13 VAL 77 HG13 VAL 77 7.419 -1.345 12.349 597 HG21 VAL 77 HG21 VAL 77 3.218 -0.779 11.984 598 HG22 VAL 77 HG22 VAL 77 4.320 0.516 12.509 599 HG23 VAL 77 HG23 VAL 77 4.179 0.114 10.781 600 H GLY 78 H GLY 78 2.983 -1.458 9.987 601 HA2 GLY 78 HA2 GLY 78 1.265 -3.322 11.074 602 HA3 GLY 78 HA3 GLY 78 0.955 -2.365 9.639 603 H MET 79 H MET 79 2.954 -3.347 7.864 604 HA MET 79 HA MET 79 1.672 -5.658 6.978 605 HB2 MET 79 HB2 MET 79 3.480 -3.739 5.976 606 HB3 MET 79 HB3 MET 79 4.432 -5.210 5.969 607 HG2 MET 79 HG2 MET 79 2.994 -6.303 4.445 608 HG3 MET 79 HG3 MET 79 1.615 -5.306 4.866 609 HE1 MET 79 HE1 MET 79 0.871 -4.934 2.842 610 HE2 MET 79 HE2 MET 79 1.390 -3.620 1.759 611 HE3 MET 79 HE3 MET 79 2.007 -5.271 1.514 612 H GLY 80 H GLY 80 4.928 -5.106 8.483 613 HA2 GLY 80 HA2 GLY 80 5.953 -7.643 8.388 614 HA3 GLY 80 HA3 GLY 80 6.247 -6.488 9.673 615 H TYR 81 H TYR 81 3.549 -6.266 10.711 616 HA TYR 81 HA TYR 81 3.487 -8.753 12.186 617 HB2 TYR 81 HB2 TYR 81 3.157 -6.075 12.767 618 HB3 TYR 81 HB3 TYR 81 1.484 -6.486 12.442 619 HD1 TYR 81 HD1 TYR 81 0.369 -8.300 13.824 620 HD2 TYR 81 HD2 TYR 81 4.193 -6.663 14.828 621 HE1 TYR 81 HE1 TYR 81 0.133 -9.184 16.196 622 HE2 TYR 81 HE2 TYR 81 3.944 -7.553 17.196 623 HH TYR 81 HH TYR 81 2.756 -8.749 18.551 624 H SER 82 H SER 82 1.875 -7.267 9.468 625 HA SER 82 HA SER 82 -0.052 -7.652 8.472 626 HB2 SER 82 HB2 SER 82 1.300 -9.421 7.531 627 HB3 SER 82 HB3 SER 82 1.056 -10.449 8.930 628 HG SER 82 HG SER 82 -0.421 -11.259 7.522 629 H MET 83 H MET 83 -1.632 -6.864 9.976 630 HA MET 83 HA MET 83 -3.359 -6.965 11.290 631 HB2 MET 83 HB2 MET 83 -3.295 -9.869 10.333 632 HB3 MET 83 HB3 MET 83 -4.567 -9.299 11.396 633 HG2 MET 83 HG2 MET 83 -5.539 -7.957 9.757 634 HG3 MET 83 HG3 MET 83 -4.011 -7.618 8.969 635 HE1 MET 83 HE1 MET 83 -4.371 -8.660 6.175 636 HE2 MET 83 HE2 MET 83 -6.077 -9.165 6.227 637 HE3 MET 83 HE3 MET 83 -5.554 -7.706 7.102 638 H TYR 84 H TYR 84 -3.999 -7.366 13.500 639 HA TYR 84 HA TYR 84 -1.823 -8.476 15.073 640 HB2 TYR 84 HB2 TYR 84 -3.480 -6.252 15.221 641 HB3 TYR 84 HB3 TYR 84 -4.403 -7.368 16.207 642 HD1 TYR 84 HD1 TYR 84 -0.840 -6.226 15.837 643 HD2 TYR 84 HD2 TYR 84 -4.004 -7.346 18.490 644 HE1 TYR 84 HE1 TYR 84 0.637 -5.691 17.836 645 HE2 TYR 84 HE2 TYR 84 -2.516 -6.808 20.480 646 HH TYR 84 HH TYR 84 -0.262 -5.008 20.607 647 H ARG 85 H ARG 85 -2.799 -10.628 13.852 648 HA ARG 85 HA ARG 85 -4.435 -11.815 15.935 649 HB2 ARG 85 HB2 ARG 85 -4.939 -11.737 12.972 650 HB3 ARG 85 HB3 ARG 85 -5.256 -13.267 13.766 651 HG2 ARG 85 HG2 ARG 85 -6.774 -12.161 15.377 652 HG3 ARG 85 HG3 ARG 85 -6.394 -10.590 14.701 653 HD2 ARG 85 HD2 ARG 85 -7.510 -11.077 12.632 654 HD3 ARG 85 HD3 ARG 85 -7.523 -12.802 12.943 655 HE ARG 85 HE ARG 85 -9.468 -10.870 13.889 656 HH11 ARG 85 HH22 ARG 85 -7.897 -13.925 14.756 657 HH12 ARG 85 HH21 ARG 85 -9.203 -14.454 15.763 658 HH21 ARG 85 HH12 ARG 85 -11.156 -11.568 15.200 659 HH22 ARG 85 HH11 ARG 85 -11.069 -13.097 16.014 660 H GLU 86 H GLU 86 -2.501 -12.506 12.924 661 HA GLU 86 HA GLU 86 -1.447 -14.836 14.320 662 HB2 GLU 86 HB2 GLU 86 -2.682 -14.918 11.968 663 HB3 GLU 86 HB3 GLU 86 -1.128 -14.399 11.348 664 HG2 GLU 86 HG2 GLU 86 -0.118 -16.358 12.748 665 HG3 GLU 86 HG3 GLU 86 -1.764 -16.939 12.898 666 H PHE 87 H PHE 87 0.714 -14.909 14.853 667 HA PHE 87 HA PHE 87 2.268 -12.559 14.206 668 HB2 PHE 87 HB2 PHE 87 2.083 -13.666 16.514 669 HB3 PHE 87 HB3 PHE 87 2.841 -15.099 15.848 670 HD1 PHE 87 HD2 PHE 87 3.403 -11.537 16.654 671 HD2 PHE 87 HD1 PHE 87 5.197 -15.241 15.618 672 HE1 PHE 87 HE2 PHE 87 5.664 -10.596 17.206 673 HE2 PHE 87 HE1 PHE 87 7.458 -14.300 16.170 674 HZ PHE 87 HZ PHE 87 7.664 -11.989 16.957 675 H TRP 88 H TRP 88 3.584 -12.474 12.454 676 HA TRP 88 HA TRP 88 4.561 -15.041 11.407 677 HB2 TRP 88 HB2 TRP 88 3.141 -12.999 10.140 678 HB3 TRP 88 HB3 TRP 88 4.796 -12.772 9.611 679 HD1 TRP 88 HD1 TRP 88 1.909 -15.295 9.334 680 HE1 TRP 88 HE1 TRP 88 2.364 -17.076 7.440 681 HE3 TRP 88 HE3 TRP 88 6.715 -13.895 8.444 682 HZ2 TRP 88 HZ2 TRP 88 4.632 -17.685 5.819 683 HZ3 TRP 88 HZ3 TRP 88 7.980 -15.134 6.689 684 HH2 TRP 88 HH2 TRP 88 7.013 -16.970 5.398 685 H ALA 89 H ALA 89 6.750 -15.394 11.520 686 HA ALA 89 HA ALA 89 8.401 -13.063 12.220 687 HB1 ALA 89 HB1 ALA 89 9.904 -15.002 13.159 688 HB2 ALA 89 HB2 ALA 89 8.490 -14.458 14.093 689 HB3 ALA 89 HB3 ALA 89 8.394 -15.944 13.119 690 H LYS 90 H LYS 90 10.070 -12.545 10.864 691 HA LYS 90 HA LYS 90 10.486 -14.383 8.619 692 HB2 LYS 90 HB2 LYS 90 9.949 -11.611 8.727 693 HB3 LYS 90 HB3 LYS 90 11.627 -11.753 8.246 694 HG2 LYS 90 HG2 LYS 90 10.446 -13.751 6.723 695 HG3 LYS 90 HG3 LYS 90 9.168 -12.554 6.780 696 HD2 LYS 90 HD2 LYS 90 10.309 -11.087 5.444 697 HD3 LYS 90 HD3 LYS 90 11.825 -11.354 6.282 698 HE2 LYS 90 HE2 LYS 90 12.482 -12.482 4.412 699 HE3 LYS 90 HE3 LYS 90 11.462 -13.788 4.984 700 HZ1 LYS 90 HZ1 LYS 90 11.038 -12.062 2.748 701 HZ2 LYS 90 HZ2 LYS 90 10.295 -13.467 3.101 702 HZ3 LYS 90 HZ3 LYS 90 9.761 -12.073 3.771 703 HA PRO 91 HA PRO 91 14.532 -15.080 9.943 704 HB2 PRO 91 HB2 PRO 91 15.820 -15.640 7.599 705 HB3 PRO 91 HB3 PRO 91 14.815 -16.803 8.442 706 HG2 PRO 91 HG2 PRO 91 14.212 -15.267 5.989 707 HG3 PRO 91 HG3 PRO 91 13.430 -16.712 6.600 708 HD2 PRO 91 HD2 PRO 91 12.427 -14.029 6.738 709 HD3 PRO 91 HD3 PRO 91 11.702 -15.456 7.450 710 H LYS 92 H LYS 92 14.703 -12.879 10.781 711 HA LYS 92 HA LYS 92 16.978 -11.660 9.496 712 HB2 LYS 92 HB2 LYS 92 14.869 -10.735 8.375 713 HB3 LYS 92 HB3 LYS 92 14.510 -9.963 9.906 714 HG2 LYS 92 HG2 LYS 92 15.722 -8.325 8.652 715 HG3 LYS 92 HG3 LYS 92 16.870 -8.944 9.822 716 HD2 LYS 92 HD2 LYS 92 17.245 -10.704 7.714 717 HD3 LYS 92 HD3 LYS 92 16.849 -9.226 6.859 718 HE2 LYS 92 HE2 LYS 92 19.194 -9.065 7.110 719 HE3 LYS 92 HE3 LYS 92 18.600 -8.074 8.428 720 HZ1 LYS 92 HZ1 LYS 92 20.149 -9.489 9.436 721 HZ2 LYS 92 HZ2 LYS 92 18.750 -10.247 9.784 722 HZ3 LYS 92 HZ3 LYS 92 19.676 -10.776 8.544 723 HA PRO 93 HA PRO 93 17.021 -11.556 13.989 724 HB2 PRO 93 HB2 PRO 93 19.523 -12.604 14.326 725 HB3 PRO 93 HB3 PRO 93 18.065 -13.577 14.346 726 HG2 PRO 93 HG2 PRO 93 20.101 -13.331 12.216 727 HG3 PRO 93 HG3 PRO 93 18.895 -14.582 12.442 728 HD2 PRO 93 HD2 PRO 93 18.804 -12.433 10.544 729 HD3 PRO 93 HD3 PRO 93 17.547 -13.615 10.850 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -13.358 -21.375 -0.213 2 HA MET 1 HA MET 1 -15.138 -19.592 -1.261 3 HB2 MET 1 HB2 MET 1 -16.451 -21.989 -0.394 4 HB3 MET 1 HB3 MET 1 -16.793 -20.798 0.845 5 HG2 MET 1 HG2 MET 1 -17.622 -19.208 -0.895 6 HG3 MET 1 HG3 MET 1 -17.254 -20.375 -2.149 7 HE1 MET 1 HE1 MET 1 -19.751 -19.714 -2.719 8 HE2 MET 1 HE2 MET 1 -21.175 -20.363 -1.871 9 HE3 MET 1 HE3 MET 1 -20.278 -18.989 -1.182 10 H SER 2 H SER 2 -15.277 -17.751 0.079 11 HA SER 2 HA SER 2 -14.851 -17.984 2.859 12 HB2 SER 2 HB2 SER 2 -12.521 -18.229 2.298 13 HB3 SER 2 HB3 SER 2 -12.597 -16.956 1.096 14 HG SER 2 HG SER 2 -12.143 -16.770 3.816 15 H THR 3 H THR 3 -14.395 -15.749 0.021 16 HA THR 3 HA THR 3 -15.099 -13.666 -0.348 17 HB THR 3 HB THR 3 -17.483 -14.888 1.127 18 HG1 THR 3 HG1 THR 3 -18.096 -15.110 -1.152 19 HG21 THR 3 HG21 THR 3 -18.839 -13.130 -0.012 20 HG22 THR 3 HG22 THR 3 -17.707 -12.391 1.146 21 HG23 THR 3 HG23 THR 3 -17.346 -12.358 -0.597 22 H ASP 4 H ASP 4 -13.391 -12.686 0.857 23 HA ASP 4 HA ASP 4 -13.660 -12.188 3.582 24 HB2 ASP 4 HB2 ASP 4 -11.887 -11.369 1.352 25 HB3 ASP 4 HB3 ASP 4 -12.045 -10.135 2.586 26 H THR 5 H THR 5 -14.209 -10.191 0.591 27 HA THR 5 HA THR 5 -15.836 -8.361 2.232 28 HB THR 5 HB THR 5 -13.627 -7.417 1.399 29 HG1 THR 5 HG1 THR 5 -16.123 -6.514 0.140 30 HG21 THR 5 HG21 THR 5 -13.771 -6.745 -1.111 31 HG22 THR 5 HG22 THR 5 -13.290 -8.424 -0.767 32 HG23 THR 5 HG23 THR 5 -14.958 -8.061 -1.273 33 H GLY 6 H GLY 6 -17.819 -7.666 1.426 34 HA2 GLY 6 HA2 GLY 6 -19.238 -9.502 -0.125 35 HA3 GLY 6 HA3 GLY 6 -19.740 -7.873 0.282 36 H VAL 7 H VAL 7 -18.890 -6.040 -1.083 37 HA VAL 7 HA VAL 7 -17.618 -6.611 -3.539 38 HB VAL 7 HB VAL 7 -19.866 -7.603 -3.942 39 HG11 VAL 7 HG11 VAL 7 -20.806 -4.731 -3.641 40 HG12 VAL 7 HG12 VAL 7 -21.782 -6.069 -4.294 41 HG13 VAL 7 HG13 VAL 7 -21.237 -6.108 -2.599 42 HG21 VAL 7 HG21 VAL 7 -18.820 -5.299 -5.576 43 HG22 VAL 7 HG22 VAL 7 -18.745 -7.046 -5.905 44 HG23 VAL 7 HG23 VAL 7 -20.286 -6.173 -6.080 45 H SER 8 H SER 8 -16.533 -4.776 -4.052 46 HA SER 8 HA SER 8 -17.296 -2.403 -2.625 47 HB2 SER 8 HB2 SER 8 -14.868 -3.369 -4.099 48 HB3 SER 8 HB3 SER 8 -15.109 -1.635 -4.038 49 HG SER 8 HG SER 8 -14.966 -3.435 -1.771 50 H LEU 9 H LEU 9 -18.609 -0.863 -3.530 51 HA LEU 9 HA LEU 9 -18.340 -0.303 -6.355 52 HB2 LEU 9 HB2 LEU 9 -20.019 -2.153 -6.135 53 HB3 LEU 9 HB3 LEU 9 -21.023 -1.063 -5.200 54 HG LEU 9 HG LEU 9 -20.607 0.460 -7.412 55 HD11 LEU 9 HD11 LEU 9 -19.338 -1.584 -8.362 56 HD12 LEU 9 HD12 LEU 9 -20.958 -2.281 -8.602 57 HD13 LEU 9 HD13 LEU 9 -20.523 -0.748 -9.394 58 HD21 LEU 9 HD21 LEU 9 -22.736 -0.634 -6.144 59 HD22 LEU 9 HD22 LEU 9 -22.839 0.298 -7.657 60 HD23 LEU 9 HD23 LEU 9 -22.817 -1.482 -7.707 61 HA PRO 10 HA PRO 10 -18.919 3.307 -3.725 62 HB2 PRO 10 HB2 PRO 10 -16.747 4.720 -4.594 63 HB3 PRO 10 HB3 PRO 10 -16.714 3.686 -3.180 64 HG2 PRO 10 HG2 PRO 10 -15.572 3.194 -5.862 65 HG3 PRO 10 HG3 PRO 10 -15.198 2.398 -4.346 66 HD2 PRO 10 HD2 PRO 10 -16.812 1.359 -6.478 67 HD3 PRO 10 HD3 PRO 10 -16.532 0.614 -4.917 68 H SER 11 H SER 11 -17.679 3.538 -7.030 69 HA SER 11 HA SER 11 -20.117 4.746 -7.817 70 HB2 SER 11 HB2 SER 11 -18.372 6.550 -6.746 71 HB3 SER 11 HB3 SER 11 -17.802 6.549 -8.403 72 HG SER 11 HG SER 11 -20.252 7.474 -7.333 73 H TYR 12 H TYR 12 -16.579 4.494 -8.638 74 HA TYR 12 HA TYR 12 -17.173 4.089 -11.415 75 HB2 TYR 12 HB2 TYR 12 -15.049 4.955 -9.782 76 HB3 TYR 12 HB3 TYR 12 -14.524 3.338 -10.208 77 HD1 TYR 12 HD1 TYR 12 -13.968 2.762 -12.530 78 HD2 TYR 12 HD2 TYR 12 -15.199 6.719 -11.466 79 HE1 TYR 12 HE1 TYR 12 -13.107 3.636 -14.757 80 HE2 TYR 12 HE2 TYR 12 -14.334 7.580 -13.697 81 HH TYR 12 HH TYR 12 -12.995 7.073 -15.422 82 H GLU 13 H GLU 13 -17.158 2.178 -12.586 83 HA GLU 13 HA GLU 13 -17.812 -0.133 -11.261 84 HB2 GLU 13 HB2 GLU 13 -17.466 0.746 -13.980 85 HB3 GLU 13 HB3 GLU 13 -16.648 -0.794 -13.814 86 HG2 GLU 13 HG2 GLU 13 -19.541 -0.227 -13.013 87 HG3 GLU 13 HG3 GLU 13 -19.034 -1.102 -14.444 88 H GLU 14 H GLU 14 -14.692 0.671 -12.961 89 HA GLU 14 HA GLU 14 -12.661 -0.041 -12.687 90 HB2 GLU 14 HB2 GLU 14 -13.727 -0.226 -9.886 91 HB3 GLU 14 HB3 GLU 14 -12.181 -0.989 -10.200 92 HG2 GLU 14 HG2 GLU 14 -12.051 1.536 -11.508 93 HG3 GLU 14 HG3 GLU 14 -12.814 1.855 -9.963 94 H ASP 15 H ASP 15 -11.290 -1.979 -12.725 95 HA ASP 15 HA ASP 15 -12.836 -4.257 -13.411 96 HB2 ASP 15 HB2 ASP 15 -10.599 -3.384 -14.457 97 HB3 ASP 15 HB3 ASP 15 -9.812 -4.159 -13.096 98 H GLN 16 H GLN 16 -12.511 -6.431 -12.384 99 HA GLN 16 HA GLN 16 -11.603 -6.160 -9.624 100 HB2 GLN 16 HB2 GLN 16 -13.298 -7.809 -8.979 101 HB3 GLN 16 HB3 GLN 16 -14.064 -6.470 -9.811 102 HG2 GLN 16 HG2 GLN 16 -13.935 -7.843 -11.964 103 HG3 GLN 16 HG3 GLN 16 -13.375 -9.196 -11.001 104 HE21 GLN 16 HE21 GLN 16 -16.031 -7.119 -11.814 105 HE22 GLN 16 HE22 GLN 16 -17.302 -8.009 -11.043 106 H GLY 17 H GLY 17 -12.017 -8.416 -12.430 107 HA2 GLY 17 HA2 GLY 17 -10.812 -10.670 -11.663 108 HA3 GLY 17 HA3 GLY 17 -10.546 -9.947 -13.236 109 H SER 18 H SER 18 -8.933 -7.846 -12.997 110 HA SER 18 HA SER 18 -6.469 -8.820 -12.685 111 HB2 SER 18 HB2 SER 18 -7.553 -6.011 -12.304 112 HB3 SER 18 HB3 SER 18 -5.835 -6.329 -12.159 113 HG SER 18 HG SER 18 -6.829 -5.715 -14.368 114 H LYS 19 H LYS 19 -8.438 -7.120 -10.155 115 HA LYS 19 HA LYS 19 -6.538 -7.121 -8.152 116 HB2 LYS 19 HB2 LYS 19 -9.424 -6.728 -8.404 117 HB3 LYS 19 HB3 LYS 19 -8.985 -7.438 -6.864 118 HG2 LYS 19 HG2 LYS 19 -7.303 -5.145 -7.858 119 HG3 LYS 19 HG3 LYS 19 -8.918 -4.770 -7.289 120 HD2 LYS 19 HD2 LYS 19 -8.256 -6.258 -5.202 121 HD3 LYS 19 HD3 LYS 19 -6.611 -5.992 -5.745 122 HE2 LYS 19 HE2 LYS 19 -6.601 -3.874 -4.919 123 HE3 LYS 19 HE3 LYS 19 -8.068 -3.467 -5.787 124 HZ1 LYS 19 HZ1 LYS 19 -9.341 -4.542 -3.978 125 HZ2 LYS 19 HZ2 LYS 19 -7.967 -4.861 -3.164 126 HZ3 LYS 19 HZ3 LYS 19 -8.400 -3.310 -3.454 127 H LEU 20 H LEU 20 -8.915 -9.658 -9.122 128 HA LEU 20 HA LEU 20 -8.335 -11.400 -7.018 129 HB2 LEU 20 HB2 LEU 20 -9.619 -11.601 -9.701 130 HB3 LEU 20 HB3 LEU 20 -9.165 -13.087 -8.891 131 HG LEU 20 HG LEU 20 -10.467 -12.017 -6.853 132 HD11 LEU 20 HD11 LEU 20 -10.967 -9.870 -7.681 133 HD12 LEU 20 HD12 LEU 20 -11.539 -10.510 -9.240 134 HD13 LEU 20 HD13 LEU 20 -12.495 -10.778 -7.763 135 HD21 LEU 20 HD21 LEU 20 -11.810 -13.737 -7.250 136 HD22 LEU 20 HD22 LEU 20 -12.520 -12.922 -8.664 137 HD23 LEU 20 HD23 LEU 20 -11.051 -13.909 -8.850 138 H ILE 21 H ILE 21 -6.660 -10.626 -10.041 139 HA ILE 21 HA ILE 21 -4.988 -12.965 -9.869 140 HB ILE 21 HB ILE 21 -5.811 -11.270 -11.888 141 HG12 ILE 21 HG12 ILE 21 -3.689 -12.710 -12.958 142 HG13 ILE 21 HG13 ILE 21 -4.148 -13.656 -11.557 143 HG21 ILE 21 HG21 ILE 21 -2.825 -10.924 -11.744 144 HG22 ILE 21 HG22 ILE 21 -4.019 -10.064 -12.746 145 HG23 ILE 21 HG23 ILE 21 -3.926 -9.739 -10.999 146 HD11 ILE 21 HD11 ILE 21 -5.672 -14.527 -13.057 147 HD12 ILE 21 HD12 ILE 21 -6.631 -13.131 -12.509 148 HD13 ILE 21 HD13 ILE 21 -5.717 -13.040 -14.034 149 H ARG 22 H ARG 22 -5.112 -9.744 -8.549 150 HA ARG 22 HA ARG 22 -3.710 -8.526 -7.432 151 HB2 ARG 22 HB2 ARG 22 -3.629 -11.143 -6.343 152 HB3 ARG 22 HB3 ARG 22 -1.951 -10.639 -6.383 153 HG2 ARG 22 HG2 ARG 22 -2.250 -9.076 -4.739 154 HG3 ARG 22 HG3 ARG 22 -3.754 -8.498 -5.428 155 HD2 ARG 22 HD2 ARG 22 -4.493 -11.019 -4.522 156 HD3 ARG 22 HD3 ARG 22 -3.309 -10.549 -3.320 157 HE ARG 22 HE ARG 22 -5.949 -9.388 -3.691 158 HH11 ARG 22 HH22 ARG 22 -2.668 -8.656 -2.571 159 HH12 ARG 22 HH21 ARG 22 -3.178 -7.370 -1.527 160 HH21 ARG 22 HH12 ARG 22 -6.597 -7.715 -2.332 161 HH22 ARG 22 HH11 ARG 22 -5.433 -6.836 -1.396 162 H LYS 23 H LYS 23 -1.066 -8.401 -6.771 163 HA LYS 23 HA LYS 23 0.178 -8.126 -9.336 164 HB2 LYS 23 HB2 LYS 23 0.489 -7.044 -6.677 165 HB3 LYS 23 HB3 LYS 23 2.036 -7.624 -7.261 166 HG2 LYS 23 HG2 LYS 23 2.141 -6.067 -8.964 167 HG3 LYS 23 HG3 LYS 23 0.417 -6.122 -9.271 168 HD2 LYS 23 HD2 LYS 23 0.075 -4.273 -8.004 169 HD3 LYS 23 HD3 LYS 23 0.847 -5.024 -6.622 170 HE2 LYS 23 HE2 LYS 23 2.391 -3.343 -6.904 171 HE3 LYS 23 HE3 LYS 23 3.071 -4.441 -8.089 172 HZ1 LYS 23 HZ1 LYS 23 0.974 -2.521 -8.892 173 HZ2 LYS 23 HZ2 LYS 23 2.532 -2.051 -8.828 174 HZ3 LYS 23 HZ3 LYS 23 2.097 -3.295 -9.797 175 H ALA 24 H ALA 24 0.834 -9.962 -10.352 176 HA ALA 24 HA ALA 24 1.923 -11.848 -10.738 177 HB1 ALA 24 HB1 ALA 24 3.828 -12.236 -8.803 178 HB2 ALA 24 HB2 ALA 24 4.028 -11.170 -10.215 179 HB3 ALA 24 HB3 ALA 24 3.526 -10.488 -8.649 180 H LYS 25 H LYS 25 1.723 -14.078 -10.288 181 HA LYS 25 HA LYS 25 -0.348 -14.909 -8.785 182 HB2 LYS 25 HB2 LYS 25 1.854 -16.112 -10.187 183 HB3 LYS 25 HB3 LYS 25 1.594 -16.987 -8.692 184 HG2 LYS 25 HG2 LYS 25 0.126 -18.030 -10.257 185 HG3 LYS 25 HG3 LYS 25 -0.919 -17.009 -9.289 186 HD2 LYS 25 HD2 LYS 25 -0.267 -15.215 -11.229 187 HD3 LYS 25 HD3 LYS 25 -0.072 -16.691 -12.153 188 HE2 LYS 25 HE2 LYS 25 -2.448 -17.283 -11.005 189 HE3 LYS 25 HE3 LYS 25 -2.567 -15.537 -10.920 190 HZ1 LYS 25 HZ1 LYS 25 -1.683 -15.983 -13.461 191 HZ2 LYS 25 HZ2 LYS 25 -2.712 -17.226 -13.238 192 HZ3 LYS 25 HZ3 LYS 25 -3.224 -15.690 -12.996 193 H GLU 26 H GLU 26 3.070 -15.462 -7.679 194 HA GLU 26 HA GLU 26 2.168 -14.681 -5.032 195 HB2 GLU 26 HB2 GLU 26 2.498 -17.350 -5.733 196 HB3 GLU 26 HB3 GLU 26 4.057 -16.962 -5.033 197 HG2 GLU 26 HG2 GLU 26 2.940 -16.084 -2.986 198 HG3 GLU 26 HG3 GLU 26 1.368 -16.415 -3.688 199 H ALA 27 H ALA 27 3.350 -12.688 -5.789 200 HA ALA 27 HA ALA 27 6.241 -13.031 -5.931 201 HB1 ALA 27 HB1 ALA 27 5.591 -11.591 -7.625 202 HB2 ALA 27 HB2 ALA 27 4.248 -10.907 -6.676 203 HB3 ALA 27 HB3 ALA 27 5.924 -10.421 -6.325 204 HA PRO 28 HA PRO 28 6.816 -11.634 -1.880 205 HB2 PRO 28 HB2 PRO 28 9.284 -10.466 -2.013 206 HB3 PRO 28 HB3 PRO 28 9.048 -12.200 -1.911 207 HG2 PRO 28 HG2 PRO 28 9.818 -10.569 -4.253 208 HG3 PRO 28 HG3 PRO 28 9.988 -12.297 -4.015 209 HD2 PRO 28 HD2 PRO 28 8.010 -10.971 -5.615 210 HD3 PRO 28 HD3 PRO 28 8.110 -12.689 -5.283 211 H PHE 29 H PHE 29 8.168 -9.443 -0.807 212 HA PHE 29 HA PHE 29 6.150 -7.455 -1.410 213 HB2 PHE 29 HB2 PHE 29 6.806 -6.596 0.734 214 HB3 PHE 29 HB3 PHE 29 7.066 -8.319 0.923 215 HD1 PHE 29 HD2 PHE 29 8.693 -5.065 0.553 216 HD2 PHE 29 HD1 PHE 29 9.313 -9.234 1.044 217 HE1 PHE 29 HE2 PHE 29 11.088 -4.636 1.168 218 HE2 PHE 29 HE1 PHE 29 11.708 -8.805 1.658 219 HZ PHE 29 HZ PHE 29 12.568 -6.511 1.713 220 H VAL 30 H VAL 30 9.280 -8.275 -2.487 221 HA VAL 30 HA VAL 30 10.677 -5.945 -2.583 222 HB VAL 30 HB VAL 30 10.527 -8.444 -4.090 223 HG11 VAL 30 HG11 VAL 30 12.090 -7.481 -5.907 224 HG12 VAL 30 HG12 VAL 30 10.338 -7.217 -6.080 225 HG13 VAL 30 HG13 VAL 30 11.382 -5.904 -5.482 226 HG21 VAL 30 HG21 VAL 30 13.136 -7.778 -4.045 227 HG22 VAL 30 HG22 VAL 30 12.546 -6.727 -2.735 228 HG23 VAL 30 HG23 VAL 30 12.288 -8.487 -2.649 229 HA PRO 31 HA PRO 31 8.143 -4.664 -6.364 230 HB2 PRO 31 HB2 PRO 31 5.905 -6.068 -7.064 231 HB3 PRO 31 HB3 PRO 31 7.474 -6.338 -7.797 232 HG2 PRO 31 HG2 PRO 31 6.050 -7.993 -5.804 233 HG3 PRO 31 HG3 PRO 31 7.385 -8.439 -6.850 234 HD2 PRO 31 HD2 PRO 31 7.526 -7.837 -4.049 235 HD3 PRO 31 HD3 PRO 31 8.873 -8.169 -5.119 236 H VAL 32 H VAL 32 6.664 -5.726 -3.490 237 HA VAL 32 HA VAL 32 4.390 -4.041 -3.691 238 HB VAL 32 HB VAL 32 5.755 -5.477 -1.413 239 HG11 VAL 32 HG11 VAL 32 3.320 -5.022 -0.400 240 HG12 VAL 32 HG12 VAL 32 4.684 -3.907 -0.146 241 HG13 VAL 32 HG13 VAL 32 3.470 -3.557 -1.399 242 HG21 VAL 32 HG21 VAL 32 4.496 -6.674 -3.371 243 HG22 VAL 32 HG22 VAL 32 4.189 -7.168 -1.689 244 HG23 VAL 32 HG23 VAL 32 3.033 -6.108 -2.530 245 H GLY 33 H GLY 33 7.685 -3.767 -2.260 246 HA2 GLY 33 HA2 GLY 33 7.174 -1.190 -1.107 247 HA3 GLY 33 HA3 GLY 33 8.712 -2.019 -1.247 248 H ILE 34 H ILE 34 8.908 -2.455 -4.035 249 HA ILE 34 HA ILE 34 9.846 0.034 -4.881 250 HB ILE 34 HB ILE 34 9.297 -2.558 -6.315 251 HG12 ILE 34 HG12 ILE 34 11.042 -2.764 -4.693 252 HG13 ILE 34 HG13 ILE 34 11.782 -2.712 -6.281 253 HG21 ILE 34 HG21 ILE 34 10.557 -1.705 -8.208 254 HG22 ILE 34 HG22 ILE 34 9.119 -0.697 -7.915 255 HG23 ILE 34 HG23 ILE 34 10.727 -0.122 -7.412 256 HD11 ILE 34 HD11 ILE 34 11.725 -0.024 -5.634 257 HD12 ILE 34 HD12 ILE 34 11.982 -0.778 -4.042 258 HD13 ILE 34 HD13 ILE 34 13.120 -1.099 -5.373 259 H ALA 35 H ALA 35 7.047 -1.896 -6.181 260 HA ALA 35 HA ALA 35 6.056 0.211 -7.721 261 HB1 ALA 35 HB1 ALA 35 4.271 -1.243 -8.165 262 HB2 ALA 35 HB2 ALA 35 5.585 -2.364 -7.733 263 HB3 ALA 35 HB3 ALA 35 4.326 -1.967 -6.540 264 H GLY 36 H GLY 36 5.198 -0.970 -4.402 265 HA2 GLY 36 HA2 GLY 36 3.090 0.645 -3.802 266 HA3 GLY 36 HA3 GLY 36 4.312 0.141 -2.652 267 H PHE 37 H PHE 37 6.607 1.458 -3.315 268 HA PHE 37 HA PHE 37 6.155 4.021 -2.364 269 HB2 PHE 37 HB2 PHE 37 8.283 2.494 -2.457 270 HB3 PHE 37 HB3 PHE 37 8.474 3.023 -4.116 271 HD1 PHE 37 HD2 PHE 37 8.289 5.735 -4.328 272 HD2 PHE 37 HD1 PHE 37 9.580 3.583 -0.906 273 HE1 PHE 37 HE2 PHE 37 9.560 7.751 -3.539 274 HE2 PHE 37 HE1 PHE 37 10.850 5.598 -0.117 275 HZ PHE 37 HZ PHE 37 10.825 7.659 -1.443 276 H ALA 38 H ALA 38 6.699 2.803 -5.726 277 HA ALA 38 HA ALA 38 6.904 5.249 -6.987 278 HB1 ALA 38 HB1 ALA 38 7.187 2.782 -7.821 279 HB2 ALA 38 HB2 ALA 38 5.456 2.900 -8.216 280 HB3 ALA 38 HB3 ALA 38 6.617 4.023 -8.963 281 H ALA 39 H ALA 39 3.928 3.188 -6.594 282 HA ALA 39 HA ALA 39 2.148 5.006 -7.644 283 HB1 ALA 39 HB1 ALA 39 1.941 2.504 -6.820 284 HB2 ALA 39 HB2 ALA 39 1.402 3.263 -5.303 285 HB3 ALA 39 HB3 ALA 39 0.515 3.570 -6.815 286 H ILE 40 H ILE 40 2.986 4.476 -4.142 287 HA ILE 40 HA ILE 40 1.485 6.363 -2.984 288 HB ILE 40 HB ILE 40 4.315 5.504 -2.449 289 HG12 ILE 40 HG12 ILE 40 2.347 3.922 -2.197 290 HG13 ILE 40 HG13 ILE 40 3.387 4.108 -0.799 291 HG21 ILE 40 HG21 ILE 40 3.365 6.623 -0.087 292 HG22 ILE 40 HG22 ILE 40 4.626 7.286 -1.154 293 HG23 ILE 40 HG23 ILE 40 2.936 7.812 -1.340 294 HD11 ILE 40 HD11 ILE 40 1.114 6.036 -0.937 295 HD12 ILE 40 HD12 ILE 40 0.664 4.331 -0.700 296 HD13 ILE 40 HD13 ILE 40 1.757 5.131 0.455 297 H VAL 41 H VAL 41 4.714 6.968 -4.531 298 HA VAL 41 HA VAL 41 4.803 9.680 -4.072 299 HB VAL 41 HB VAL 41 5.879 7.918 -6.266 300 HG11 VAL 41 HG11 VAL 41 7.473 10.003 -6.566 301 HG12 VAL 41 HG12 VAL 41 5.924 9.904 -7.437 302 HG13 VAL 41 HG13 VAL 41 6.056 10.899 -5.967 303 HG21 VAL 41 HG21 VAL 41 7.578 7.524 -4.868 304 HG22 VAL 41 HG22 VAL 41 7.794 9.259 -4.535 305 HG23 VAL 41 HG23 VAL 41 6.615 8.312 -3.595 306 H ALA 42 H ALA 42 3.458 7.906 -6.942 307 HA ALA 42 HA ALA 42 2.631 10.085 -8.380 308 HB1 ALA 42 HB1 ALA 42 1.274 7.376 -8.068 309 HB2 ALA 42 HB2 ALA 42 1.032 8.514 -9.415 310 HB3 ALA 42 HB3 ALA 42 2.620 7.747 -9.172 311 H TYR 43 H TYR 43 0.615 8.144 -6.050 312 HA TYR 43 HA TYR 43 -1.634 9.656 -6.083 313 HB2 TYR 43 HB2 TYR 43 -0.640 7.524 -4.697 314 HB3 TYR 43 HB3 TYR 43 -0.382 8.737 -3.460 315 HD1 TYR 43 HD2 TYR 43 -2.628 10.384 -3.272 316 HD2 TYR 43 HD1 TYR 43 -2.547 6.255 -4.388 317 HE1 TYR 43 HE2 TYR 43 -5.044 10.127 -2.525 318 HE2 TYR 43 HE1 TYR 43 -4.963 6.012 -3.636 319 HH TYR 43 HH TYR 43 -6.666 8.734 -2.134 320 H GLY 44 H GLY 44 1.098 10.096 -3.716 321 HA2 GLY 44 HA2 GLY 44 0.215 12.299 -2.392 322 HA3 GLY 44 HA3 GLY 44 1.899 11.969 -2.748 323 H LEU 45 H LEU 45 2.292 12.349 -5.386 324 HA LEU 45 HA LEU 45 2.382 15.063 -5.701 325 HB2 LEU 45 HB2 LEU 45 3.279 12.859 -7.050 326 HB3 LEU 45 HB3 LEU 45 2.127 13.522 -8.192 327 HG LEU 45 HG LEU 45 3.406 15.784 -7.702 328 HD11 LEU 45 HD11 LEU 45 4.945 15.319 -6.065 329 HD12 LEU 45 HD12 LEU 45 5.256 13.672 -6.664 330 HD13 LEU 45 HD13 LEU 45 5.931 15.075 -7.527 331 HD21 LEU 45 HD21 LEU 45 3.993 15.539 -9.829 332 HD22 LEU 45 HD22 LEU 45 5.158 14.256 -9.422 333 HD23 LEU 45 HD23 LEU 45 3.453 13.846 -9.726 334 H TYR 46 H TYR 46 -0.154 12.740 -6.796 335 HA TYR 46 HA TYR 46 -1.682 14.694 -8.141 336 HB2 TYR 46 HB2 TYR 46 -1.572 11.951 -7.911 337 HB3 TYR 46 HB3 TYR 46 -2.860 12.256 -6.763 338 HD1 TYR 46 HD1 TYR 46 -1.920 13.376 -10.230 339 HD2 TYR 46 HD2 TYR 46 -5.015 12.068 -7.582 340 HE1 TYR 46 HE1 TYR 46 -3.602 13.477 -12.134 341 HE2 TYR 46 HE2 TYR 46 -6.687 12.174 -9.494 342 HH TYR 46 HH TYR 46 -6.909 12.339 -11.679 343 H LYS 47 H LYS 47 -1.859 13.242 -4.826 344 HA LYS 47 HA LYS 47 -4.191 14.427 -4.005 345 HB2 LYS 47 HB2 LYS 47 -1.876 13.143 -2.781 346 HB3 LYS 47 HB3 LYS 47 -2.531 14.404 -1.756 347 HG2 LYS 47 HG2 LYS 47 -4.837 13.400 -2.074 348 HG3 LYS 47 HG3 LYS 47 -4.106 12.092 -2.984 349 HD2 LYS 47 HD2 LYS 47 -3.355 11.043 -1.099 350 HD3 LYS 47 HD3 LYS 47 -2.748 12.532 -0.403 351 HE2 LYS 47 HE2 LYS 47 -4.498 12.492 1.043 352 HE3 LYS 47 HE3 LYS 47 -5.561 12.819 -0.312 353 HZ1 LYS 47 HZ1 LYS 47 -6.424 10.806 0.198 354 HZ2 LYS 47 HZ2 LYS 47 -5.127 10.153 -0.539 355 HZ3 LYS 47 HZ3 LYS 47 -5.113 10.385 1.081 356 H LEU 48 H LEU 48 -0.828 15.752 -3.979 357 HA LEU 48 HA LEU 48 -1.195 18.050 -2.619 358 HB2 LEU 48 HB2 LEU 48 0.913 17.231 -3.581 359 HB3 LEU 48 HB3 LEU 48 0.367 17.693 -5.181 360 HG LEU 48 HG LEU 48 0.106 20.077 -3.983 361 HD11 LEU 48 HD11 LEU 48 2.067 18.546 -2.296 362 HD12 LEU 48 HD12 LEU 48 2.263 20.297 -2.551 363 HD13 LEU 48 HD13 LEU 48 0.775 19.667 -1.804 364 HD21 LEU 48 HD21 LEU 48 1.518 20.509 -5.636 365 HD22 LEU 48 HD22 LEU 48 2.862 19.937 -4.619 366 HD23 LEU 48 HD23 LEU 48 2.016 18.801 -5.697 367 H LYS 49 H LYS 49 -1.699 17.722 -6.209 368 HA LYS 49 HA LYS 49 -2.852 20.251 -6.473 369 HB2 LYS 49 HB2 LYS 49 -2.307 17.928 -8.128 370 HB3 LYS 49 HB3 LYS 49 -3.868 18.617 -8.522 371 HG2 LYS 49 HG2 LYS 49 -2.936 20.758 -9.033 372 HG3 LYS 49 HG3 LYS 49 -1.445 20.416 -8.179 373 HD2 LYS 49 HD2 LYS 49 -0.929 18.623 -9.896 374 HD3 LYS 49 HD3 LYS 49 -2.367 19.099 -10.777 375 HE2 LYS 49 HE2 LYS 49 -1.057 20.611 -11.862 376 HE3 LYS 49 HE3 LYS 49 -1.060 21.542 -10.377 377 HZ1 LYS 49 HZ1 LYS 49 1.184 21.212 -10.649 378 HZ2 LYS 49 HZ2 LYS 49 0.882 19.860 -9.794 379 HZ3 LYS 49 HZ3 LYS 49 0.974 19.788 -11.427 380 H SER 50 H SER 50 -4.890 21.042 -6.155 381 HA SER 50 HA SER 50 -6.759 19.137 -5.025 382 HB2 SER 50 HB2 SER 50 -7.891 21.070 -4.060 383 HB3 SER 50 HB3 SER 50 -6.177 21.184 -3.714 384 HG SER 50 HG SER 50 -6.525 22.431 -6.065 385 H ARG 51 H ARG 51 -8.199 18.268 -6.472 386 HA ARG 51 HA ARG 51 -9.885 19.913 -7.924 387 HB2 ARG 51 HB2 ARG 51 -7.612 19.920 -9.297 388 HB3 ARG 51 HB3 ARG 51 -8.105 18.314 -9.795 389 HG2 ARG 51 HG2 ARG 51 -9.234 19.415 -11.455 390 HG3 ARG 51 HG3 ARG 51 -10.448 19.681 -10.220 391 HD2 ARG 51 HD2 ARG 51 -8.133 21.612 -10.713 392 HD3 ARG 51 HD3 ARG 51 -9.695 21.777 -11.490 393 HE ARG 51 HE ARG 51 -9.068 22.368 -8.698 394 HH11 ARG 51 HH22 ARG 51 -11.679 21.478 -10.922 395 HH12 ARG 51 HH21 ARG 51 -12.928 22.127 -9.912 396 HH21 ARG 51 HH12 ARG 51 -10.700 23.207 -7.396 397 HH22 ARG 51 HH11 ARG 51 -12.359 23.118 -7.891 398 H GLY 52 H GLY 52 -11.307 18.436 -6.737 399 HA2 GLY 52 HA2 GLY 52 -12.488 16.430 -8.093 400 HA3 GLY 52 HA3 GLY 52 -11.165 15.601 -7.296 401 H ASN 53 H ASN 53 -12.346 14.410 -5.774 402 HA ASN 53 HA ASN 53 -14.464 15.482 -4.342 403 HB2 ASN 53 HB2 ASN 53 -13.273 12.971 -4.632 404 HB3 ASN 53 HB3 ASN 53 -12.892 13.358 -2.966 405 HD21 ASN 53 HD21 ASN 53 -14.289 12.650 -1.564 406 HD22 ASN 53 HD22 ASN 53 -15.999 12.473 -1.771 407 H THR 54 H THR 54 -11.016 14.738 -3.406 408 HA THR 54 HA THR 54 -9.691 15.535 -1.807 409 HB THR 54 HB THR 54 -11.443 17.961 -2.415 410 HG1 THR 54 HG1 THR 54 -9.890 17.987 -3.988 411 HG21 THR 54 HG21 THR 54 -9.173 19.057 -1.427 412 HG22 THR 54 HG22 THR 54 -10.587 18.758 -0.388 413 HG23 THR 54 HG23 THR 54 -9.230 17.607 -0.396 414 H LYS 55 H LYS 55 -9.758 14.507 0.087 415 HA LYS 55 HA LYS 55 -11.932 15.285 1.900 416 HB2 LYS 55 HB2 LYS 55 -11.476 12.718 0.761 417 HB3 LYS 55 HB3 LYS 55 -11.030 12.613 2.452 418 HG2 LYS 55 HG2 LYS 55 -13.649 13.857 1.499 419 HG3 LYS 55 HG3 LYS 55 -13.498 12.165 1.930 420 HD2 LYS 55 HD2 LYS 55 -12.797 12.764 4.222 421 HD3 LYS 55 HD3 LYS 55 -12.791 14.467 3.809 422 HE2 LYS 55 HE2 LYS 55 -15.368 13.507 3.052 423 HE3 LYS 55 HE3 LYS 55 -15.037 12.786 4.615 424 HZ1 LYS 55 HZ1 LYS 55 -14.773 14.906 5.584 425 HZ2 LYS 55 HZ2 LYS 55 -14.584 15.674 4.161 426 HZ3 LYS 55 HZ3 LYS 55 -16.046 15.063 4.568 427 H MET 56 H MET 56 -8.752 13.517 1.820 428 HA MET 56 HA MET 56 -8.157 14.356 4.440 429 HB2 MET 56 HB2 MET 56 -7.082 12.598 2.387 430 HB3 MET 56 HB3 MET 56 -5.775 13.612 2.965 431 HG2 MET 56 HG2 MET 56 -5.882 12.759 5.148 432 HG3 MET 56 HG3 MET 56 -7.588 12.374 5.034 433 HE1 MET 56 HE1 MET 56 -6.080 10.274 6.386 434 HE2 MET 56 HE2 MET 56 -5.123 9.104 5.446 435 HE3 MET 56 HE3 MET 56 -4.517 10.760 5.688 436 H SER 57 H SER 57 -6.435 15.810 5.141 437 HA SER 57 HA SER 57 -5.552 17.643 3.070 438 HB2 SER 57 HB2 SER 57 -5.956 19.542 4.748 439 HB3 SER 57 HB3 SER 57 -7.381 18.859 3.992 440 HG SER 57 HG SER 57 -7.300 17.365 6.040 441 H ILE 58 H ILE 58 -5.354 16.785 6.601 442 HA ILE 58 HA ILE 58 -3.639 16.557 7.971 443 HB ILE 58 HB ILE 58 -2.125 16.047 5.410 444 HG12 ILE 58 HG12 ILE 58 -3.868 14.448 5.632 445 HG13 ILE 58 HG13 ILE 58 -2.384 13.657 6.126 446 HG21 ILE 58 HG21 ILE 58 -1.214 15.098 8.108 447 HG22 ILE 58 HG22 ILE 58 -0.289 15.318 6.604 448 HG23 ILE 58 HG23 ILE 58 -0.799 16.736 7.549 449 HD11 ILE 58 HD11 ILE 58 -3.181 14.636 8.544 450 HD12 ILE 58 HD12 ILE 58 -4.765 14.422 7.761 451 HD13 ILE 58 HD13 ILE 58 -3.664 13.035 7.934 452 H HIS 59 H HIS 59 -3.476 18.525 8.980 453 HA HIS 59 HA HIS 59 -2.319 20.735 7.575 454 HB2 HIS 59 HB2 HIS 59 -3.558 20.293 10.271 455 HB3 HIS 59 HB3 HIS 59 -2.566 21.715 10.016 456 HD1 HIS 59 HD1 HIS 59 -5.445 22.273 10.602 457 HD2 HIS 59 HD2 HIS 59 -4.068 21.568 6.703 458 HE1 HIS 59 HE1 HIS 59 -7.166 23.321 9.036 459 H LEU 60 H LEU 60 -0.161 20.979 7.317 460 HA LEU 60 HA LEU 60 1.612 21.002 9.440 461 HB2 LEU 60 HB2 LEU 60 1.146 18.343 8.289 462 HB3 LEU 60 HB3 LEU 60 2.832 18.818 8.316 463 HG LEU 60 HG LEU 60 1.526 19.388 10.859 464 HD11 LEU 60 HD11 LEU 60 0.932 17.246 11.594 465 HD12 LEU 60 HD12 LEU 60 0.188 17.386 9.983 466 HD13 LEU 60 HD13 LEU 60 1.689 16.452 10.192 467 HD21 LEU 60 HD21 LEU 60 4.011 19.231 10.263 468 HD22 LEU 60 HD22 LEU 60 3.474 18.464 11.777 469 HD23 LEU 60 HD23 LEU 60 3.792 17.466 10.338 470 H ILE 61 H ILE 61 1.275 22.896 7.685 471 HA ILE 61 HA ILE 61 2.007 23.959 5.846 472 HB ILE 61 HB ILE 61 3.654 24.322 7.657 473 HG12 ILE 61 HG12 ILE 61 5.583 24.857 5.842 474 HG13 ILE 61 HG13 ILE 61 4.236 24.589 4.754 475 HG21 ILE 61 HG21 ILE 61 5.403 22.326 6.204 476 HG22 ILE 61 HG22 ILE 61 5.757 23.206 7.709 477 HG23 ILE 61 HG23 ILE 61 4.493 21.953 7.687 478 HD11 ILE 61 HD11 ILE 61 3.076 26.151 6.748 479 HD12 ILE 61 HD12 ILE 61 4.720 26.821 6.624 480 HD13 ILE 61 HD13 ILE 61 3.676 26.754 5.185 481 H HIS 62 H HIS 62 0.978 21.640 4.911 482 HA HIS 62 HA HIS 62 1.000 20.314 3.163 483 HB2 HIS 62 HB2 HIS 62 3.370 22.020 2.389 484 HB3 HIS 62 HB3 HIS 62 2.785 20.721 1.369 485 HD1 HIS 62 HD1 HIS 62 0.939 21.303 -0.231 486 HD2 HIS 62 HD2 HIS 62 1.260 24.067 2.907 487 HE1 HIS 62 HE1 HIS 62 -0.697 23.186 -0.767 488 H MET 63 H MET 63 4.583 20.557 3.163 489 HA MET 63 HA MET 63 6.151 19.142 3.690 490 HB2 MET 63 HB2 MET 63 4.175 18.747 5.732 491 HB3 MET 63 HB3 MET 63 4.686 17.139 5.259 492 HG2 MET 63 HG2 MET 63 6.127 17.963 7.080 493 HG3 MET 63 HG3 MET 63 7.076 17.784 5.618 494 HE1 MET 63 HE1 MET 63 6.882 20.811 8.416 495 HE2 MET 63 HE2 MET 63 7.451 19.137 8.213 496 HE3 MET 63 HE3 MET 63 8.481 20.495 7.701 497 H ARG 64 H ARG 64 3.144 17.085 3.571 498 HA ARG 64 HA ARG 64 2.569 15.437 2.296 499 HB2 ARG 64 HB2 ARG 64 4.812 16.341 0.418 500 HB3 ARG 64 HB3 ARG 64 3.564 15.187 -0.008 501 HG2 ARG 64 HG2 ARG 64 2.224 16.906 -0.624 502 HG3 ARG 64 HG3 ARG 64 2.177 17.439 1.045 503 HD2 ARG 64 HD2 ARG 64 3.005 19.335 -0.129 504 HD3 ARG 64 HD3 ARG 64 4.445 18.620 0.566 505 HE ARG 64 HE ARG 64 4.296 17.375 -1.888 506 HH11 ARG 64 HH22 ARG 64 4.209 20.780 -0.914 507 HH12 ARG 64 HH21 ARG 64 4.910 21.349 -2.392 508 HH21 ARG 64 HH12 ARG 64 5.206 18.128 -3.803 509 HH22 ARG 64 HH11 ARG 64 5.480 19.823 -4.045 510 H VAL 65 H VAL 65 6.142 15.520 1.581 511 HA VAL 65 HA VAL 65 6.597 12.844 1.664 512 HB VAL 65 HB VAL 65 8.173 14.583 0.947 513 HG11 VAL 65 HG11 VAL 65 9.470 15.883 2.491 514 HG12 VAL 65 HG12 VAL 65 7.753 16.120 2.895 515 HG13 VAL 65 HG13 VAL 65 8.760 15.039 3.888 516 HG21 VAL 65 HG21 VAL 65 8.760 12.144 1.953 517 HG22 VAL 65 HG22 VAL 65 9.978 13.242 1.261 518 HG23 VAL 65 HG23 VAL 65 9.751 13.162 3.025 519 H ALA 66 H ALA 66 6.532 15.172 4.428 520 HA ALA 66 HA ALA 66 7.388 13.513 6.423 521 HB1 ALA 66 HB1 ALA 66 6.326 15.047 7.905 522 HB2 ALA 66 HB2 ALA 66 6.758 16.001 6.465 523 HB3 ALA 66 HB3 ALA 66 5.079 15.463 6.705 524 H ALA 67 H ALA 67 3.927 14.055 5.428 525 HA ALA 67 HA ALA 67 2.815 12.140 7.047 526 HB1 ALA 67 HB1 ALA 67 1.318 13.579 5.983 527 HB2 ALA 67 HB2 ALA 67 2.093 13.377 4.393 528 HB3 ALA 67 HB3 ALA 67 1.084 12.073 5.064 529 H GLN 68 H GLN 68 4.703 11.799 4.066 530 HA GLN 68 HA GLN 68 3.850 9.183 3.513 531 HB2 GLN 68 HB2 GLN 68 5.095 10.972 2.018 532 HB3 GLN 68 HB3 GLN 68 6.553 10.268 2.689 533 HG2 GLN 68 HG2 GLN 68 5.403 7.961 2.003 534 HG3 GLN 68 HG3 GLN 68 4.463 8.973 0.924 535 HE21 GLN 68 HE21 GLN 68 7.603 7.724 1.727 536 HE22 GLN 68 HE22 GLN 68 8.438 8.176 0.279 537 H GLY 69 H GLY 69 6.545 10.625 5.408 538 HA2 GLY 69 HA2 GLY 69 7.969 8.240 5.879 539 HA3 GLY 69 HA3 GLY 69 8.044 9.718 6.817 540 H PHE 70 H PHE 70 5.415 9.993 7.777 541 HA PHE 70 HA PHE 70 5.457 8.271 9.958 542 HB2 PHE 70 HB2 PHE 70 4.215 10.615 9.183 543 HB3 PHE 70 HB3 PHE 70 2.876 9.505 8.971 544 HD1 PHE 70 HD2 PHE 70 5.489 10.299 11.524 545 HD2 PHE 70 HD1 PHE 70 1.462 9.202 10.761 546 HE1 PHE 70 HE2 PHE 70 4.987 10.436 13.979 547 HE2 PHE 70 HE1 PHE 70 0.959 9.339 13.217 548 HZ PHE 70 HZ PHE 70 2.728 9.955 14.796 549 H VAL 71 H VAL 71 3.220 8.347 7.089 550 HA VAL 71 HA VAL 71 1.756 6.107 7.824 551 HB VAL 71 HB VAL 71 2.372 7.411 5.176 552 HG11 VAL 71 HG11 VAL 71 1.323 4.788 5.574 553 HG12 VAL 71 HG12 VAL 71 -0.010 5.834 5.029 554 HG13 VAL 71 HG13 VAL 71 1.475 5.706 4.057 555 HG21 VAL 71 HG21 VAL 71 0.406 7.799 7.326 556 HG22 VAL 71 HG22 VAL 71 0.935 8.908 6.038 557 HG23 VAL 71 HG23 VAL 71 -0.319 7.690 5.704 558 H VAL 72 H VAL 72 4.635 6.412 5.634 559 HA VAL 72 HA VAL 72 4.898 3.844 4.844 560 HB VAL 72 HB VAL 72 6.795 6.054 5.477 561 HG11 VAL 72 HG11 VAL 72 7.698 3.255 4.716 562 HG12 VAL 72 HG12 VAL 72 8.726 4.707 4.759 563 HG13 VAL 72 HG13 VAL 72 8.012 4.078 6.263 564 HG21 VAL 72 HG21 VAL 72 7.095 4.783 2.900 565 HG22 VAL 72 HG22 VAL 72 5.378 5.129 3.217 566 HG23 VAL 72 HG23 VAL 72 6.579 6.441 3.291 567 H GLY 73 H GLY 73 6.190 5.260 7.930 568 HA2 GLY 73 HA2 GLY 73 7.331 2.971 8.972 569 HA3 GLY 73 HA3 GLY 73 6.664 4.296 9.904 570 H ALA 74 H ALA 74 3.967 4.253 9.530 571 HA ALA 74 HA ALA 74 3.082 2.254 11.174 572 HB1 ALA 74 HB1 ALA 74 1.844 4.181 9.244 573 HB2 ALA 74 HB2 ALA 74 0.819 2.865 9.865 574 HB3 ALA 74 HB3 ALA 74 1.593 4.000 10.997 575 H MET 75 H MET 75 2.634 2.426 7.564 576 HA MET 75 HA MET 75 1.478 0.032 7.206 577 HB2 MET 75 HB2 MET 75 1.991 1.778 5.444 578 HB3 MET 75 HB3 MET 75 3.676 1.296 5.474 579 HG2 MET 75 HG2 MET 75 2.600 -1.144 5.017 580 HG3 MET 75 HG3 MET 75 1.299 -0.177 4.351 581 HE1 MET 75 HE1 MET 75 2.219 1.158 1.282 582 HE2 MET 75 HE2 MET 75 1.373 1.439 2.823 583 HE3 MET 75 HE3 MET 75 2.861 2.340 2.448 584 H THR 76 H THR 76 5.058 0.669 7.221 585 HA THR 76 HA THR 76 5.949 -1.870 6.738 586 HB THR 76 HB THR 76 6.981 0.441 8.442 587 HG1 THR 76 HG1 THR 76 8.437 0.339 6.456 588 HG21 THR 76 HG21 THR 76 7.915 -2.210 8.690 589 HG22 THR 76 HG22 THR 76 8.980 -1.491 7.458 590 HG23 THR 76 HG23 THR 76 8.844 -0.739 9.066 591 H VAL 77 H VAL 77 4.938 -0.475 9.913 592 HA VAL 77 HA VAL 77 5.602 -2.698 11.434 593 HB VAL 77 HB VAL 77 3.494 -0.558 11.741 594 HG11 VAL 77 HG11 VAL 77 3.218 -1.210 14.046 595 HG12 VAL 77 HG12 VAL 77 2.902 -2.629 13.018 596 HG13 VAL 77 HG13 VAL 77 4.451 -2.484 13.883 597 HG21 VAL 77 HG21 VAL 77 5.695 0.369 11.780 598 HG22 VAL 77 HG22 VAL 77 5.137 0.280 13.468 599 HG23 VAL 77 HG23 VAL 77 6.292 -0.924 12.848 600 H GLY 78 H GLY 78 2.502 -1.820 9.769 601 HA2 GLY 78 HA2 GLY 78 0.924 -3.912 10.564 602 HA3 GLY 78 HA3 GLY 78 0.840 -3.129 8.998 603 H MET 79 H MET 79 3.209 -3.821 7.734 604 HA MET 79 HA MET 79 2.651 -6.357 6.846 605 HB2 MET 79 HB2 MET 79 5.198 -4.653 6.749 606 HB3 MET 79 HB3 MET 79 5.040 -6.148 5.848 607 HG2 MET 79 HG2 MET 79 3.365 -5.275 4.420 608 HG3 MET 79 HG3 MET 79 2.887 -4.037 5.564 609 HE1 MET 79 HE1 MET 79 4.419 -4.906 2.567 610 HE2 MET 79 HE2 MET 79 5.604 -3.655 2.121 611 HE3 MET 79 HE3 MET 79 6.100 -5.028 3.139 612 H GLY 80 H GLY 80 5.254 -5.228 9.111 613 HA2 GLY 80 HA2 GLY 80 6.574 -7.597 9.535 614 HA3 GLY 80 HA3 GLY 80 6.379 -6.323 10.722 615 H TYR 81 H TYR 81 3.491 -6.412 11.003 616 HA TYR 81 HA TYR 81 3.318 -8.576 12.839 617 HB2 TYR 81 HB2 TYR 81 1.689 -6.265 11.743 618 HB3 TYR 81 HB3 TYR 81 0.770 -7.545 12.509 619 HD1 TYR 81 HD2 TYR 81 4.067 -5.956 13.360 620 HD2 TYR 81 HD1 TYR 81 0.070 -6.837 14.605 621 HE1 TYR 81 HE2 TYR 81 4.547 -4.942 15.641 622 HE2 TYR 81 HE1 TYR 81 0.563 -5.820 16.883 623 HH TYR 81 HH TYR 81 3.815 -4.646 17.666 624 H SER 82 H SER 82 2.314 -8.003 9.474 625 HA SER 82 HA SER 82 1.066 -10.640 9.551 626 HB2 SER 82 HB2 SER 82 0.121 -8.070 8.465 627 HB3 SER 82 HB3 SER 82 0.079 -9.346 7.265 628 HG SER 82 HG SER 82 -1.599 -8.931 9.388 629 H MET 83 H MET 83 3.555 -11.100 9.228 630 HA MET 83 HA MET 83 3.943 -11.262 6.356 631 HB2 MET 83 HB2 MET 83 5.506 -9.689 8.267 632 HB3 MET 83 HB3 MET 83 6.523 -10.947 7.594 633 HG2 MET 83 HG2 MET 83 6.261 -10.157 5.367 634 HG3 MET 83 HG3 MET 83 4.787 -9.287 5.741 635 HE1 MET 83 HE1 MET 83 7.411 -8.797 4.282 636 HE2 MET 83 HE2 MET 83 7.065 -7.051 4.324 637 HE3 MET 83 HE3 MET 83 8.582 -7.674 5.015 638 H TYR 84 H TYR 84 5.933 -12.828 5.903 639 HA TYR 84 HA TYR 84 5.296 -15.270 7.218 640 HB2 TYR 84 HB2 TYR 84 7.618 -14.436 5.371 641 HB3 TYR 84 HB3 TYR 84 7.057 -16.079 5.606 642 HD1 TYR 84 HD2 TYR 84 4.508 -16.500 4.996 643 HD2 TYR 84 HD1 TYR 84 6.847 -13.230 3.533 644 HE1 TYR 84 HE2 TYR 84 2.914 -16.229 3.035 645 HE2 TYR 84 HE1 TYR 84 5.245 -12.970 1.576 646 HH TYR 84 HH TYR 84 3.162 -13.497 0.876 647 H ARG 85 H ARG 85 5.825 -14.949 9.461 648 HA ARG 85 HA ARG 85 7.111 -14.735 11.211 649 HB2 ARG 85 HB2 ARG 85 8.689 -16.650 9.445 650 HB3 ARG 85 HB3 ARG 85 9.232 -16.285 11.071 651 HG2 ARG 85 HG2 ARG 85 6.339 -16.967 10.872 652 HG3 ARG 85 HG3 ARG 85 7.417 -18.272 10.421 653 HD2 ARG 85 HD2 ARG 85 8.603 -18.109 12.579 654 HD3 ARG 85 HD3 ARG 85 7.675 -16.690 13.023 655 HE ARG 85 HE ARG 85 5.819 -18.059 13.520 656 HH11 ARG 85 HH22 ARG 85 8.293 -19.962 11.844 657 HH12 ARG 85 HH21 ARG 85 7.521 -21.479 12.164 658 HH21 ARG 85 HH12 ARG 85 4.826 -20.035 13.929 659 HH22 ARG 85 HH11 ARG 85 5.532 -21.513 13.361 660 H GLU 86 H GLU 86 7.620 -12.431 10.975 661 HA GLU 86 HA GLU 86 10.438 -12.036 10.648 662 HB2 GLU 86 HB2 GLU 86 8.419 -11.022 8.688 663 HB3 GLU 86 HB3 GLU 86 9.642 -9.872 9.190 664 HG2 GLU 86 HG2 GLU 86 11.369 -11.767 8.692 665 HG3 GLU 86 HG3 GLU 86 10.059 -12.575 7.856 666 H PHE 87 H PHE 87 10.525 -11.468 12.852 667 HA PHE 87 HA PHE 87 9.070 -9.003 13.502 668 HB2 PHE 87 HB2 PHE 87 8.872 -9.956 15.800 669 HB3 PHE 87 HB3 PHE 87 8.185 -11.082 14.647 670 HD1 PHE 87 HD2 PHE 87 9.586 -13.064 13.914 671 HD2 PHE 87 HD1 PHE 87 10.660 -10.595 17.194 672 HE1 PHE 87 HE2 PHE 87 11.099 -14.870 14.779 673 HE2 PHE 87 HE1 PHE 87 12.173 -12.401 18.059 674 HZ PHE 87 HZ PHE 87 12.374 -14.518 16.840 675 H TRP 88 H TRP 88 10.656 -7.449 13.359 676 HA TRP 88 HA TRP 88 12.640 -6.458 13.595 677 HB2 TRP 88 HB2 TRP 88 12.718 -7.650 16.355 678 HB3 TRP 88 HB3 TRP 88 13.299 -6.087 15.816 679 HD1 TRP 88 HD1 TRP 88 10.472 -5.305 14.249 680 HE1 TRP 88 HE1 TRP 88 8.373 -4.508 15.635 681 HE3 TRP 88 HE3 TRP 88 11.967 -7.324 18.670 682 HZ2 TRP 88 HZ2 TRP 88 7.590 -4.805 18.363 683 HZ3 TRP 88 HZ3 TRP 88 10.477 -7.025 20.646 684 HH2 TRP 88 HH2 TRP 88 8.355 -5.816 20.543 685 H ALA 89 H ALA 89 13.398 -8.180 11.946 686 HA ALA 89 HA ALA 89 15.930 -9.049 12.631 687 HB1 ALA 89 HB1 ALA 89 14.596 -11.601 12.268 688 HB2 ALA 89 HB2 ALA 89 15.695 -11.078 13.567 689 HB3 ALA 89 HB3 ALA 89 13.948 -10.761 13.697 690 H LYS 90 H LYS 90 16.802 -8.641 10.663 691 HA LYS 90 HA LYS 90 15.192 -9.136 8.309 692 HB2 LYS 90 HB2 LYS 90 17.820 -7.734 8.818 693 HB3 LYS 90 HB3 LYS 90 17.251 -8.072 7.196 694 HG2 LYS 90 HG2 LYS 90 15.610 -6.470 7.294 695 HG3 LYS 90 HG3 LYS 90 15.172 -6.874 8.942 696 HD2 LYS 90 HD2 LYS 90 16.364 -5.117 9.735 697 HD3 LYS 90 HD3 LYS 90 17.825 -5.727 8.983 698 HE2 LYS 90 HE2 LYS 90 17.255 -4.613 6.856 699 HE3 LYS 90 HE3 LYS 90 15.704 -4.107 7.495 700 HZ1 LYS 90 HZ1 LYS 90 16.674 -2.425 8.645 701 HZ2 LYS 90 HZ2 LYS 90 17.965 -3.300 9.114 702 HZ3 LYS 90 HZ3 LYS 90 17.916 -2.665 7.607 703 HA PRO 91 HA PRO 91 17.118 -12.877 7.351 704 HB2 PRO 91 HB2 PRO 91 16.720 -13.010 4.650 705 HB3 PRO 91 HB3 PRO 91 15.481 -13.412 5.822 706 HG2 PRO 91 HG2 PRO 91 15.728 -10.991 4.144 707 HG3 PRO 91 HG3 PRO 91 14.319 -11.605 4.985 708 HD2 PRO 91 HD2 PRO 91 15.974 -9.405 5.788 709 HD3 PRO 91 HD3 PRO 91 14.635 -10.092 6.686 710 H LYS 92 H LYS 92 19.198 -12.036 8.109 711 HA LYS 92 HA LYS 92 20.949 -10.777 6.398 712 HB2 LYS 92 HB2 LYS 92 22.678 -11.466 7.931 713 HB3 LYS 92 HB3 LYS 92 21.243 -11.030 8.837 714 HG2 LYS 92 HG2 LYS 92 21.446 -13.051 9.863 715 HG3 LYS 92 HG3 LYS 92 20.833 -13.747 8.376 716 HD2 LYS 92 HD2 LYS 92 23.448 -13.498 7.669 717 HD3 LYS 92 HD3 LYS 92 23.653 -13.636 9.404 718 HE2 LYS 92 HE2 LYS 92 21.738 -15.600 8.241 719 HE3 LYS 92 HE3 LYS 92 23.386 -15.781 7.674 720 HZ1 LYS 92 HZ1 LYS 92 23.025 -17.039 9.719 721 HZ2 LYS 92 HZ2 LYS 92 24.112 -15.862 10.010 722 HZ3 LYS 92 HZ3 LYS 92 22.558 -15.670 10.484 723 HA PRO 93 HA PRO 93 22.161 -13.802 3.571 724 HB2 PRO 93 HB2 PRO 93 24.691 -13.003 2.918 725 HB3 PRO 93 HB3 PRO 93 23.250 -12.257 2.257 726 HG2 PRO 93 HG2 PRO 93 25.086 -11.226 4.332 727 HG3 PRO 93 HG3 PRO 93 23.916 -10.348 3.367 728 HD2 PRO 93 HD2 PRO 93 23.638 -11.126 6.114 729 HD3 PRO 93 HD3 PRO 93 22.424 -10.351 5.116 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -8.829 -19.229 5.115 2 HA MET 1 HA MET 1 -7.857 -20.913 3.855 3 HB2 MET 1 HB2 MET 1 -9.102 -22.524 5.884 4 HB3 MET 1 HB3 MET 1 -9.769 -23.075 4.360 5 HG2 MET 1 HG2 MET 1 -7.748 -23.921 3.618 6 HG3 MET 1 HG3 MET 1 -6.816 -22.625 4.341 7 HE1 MET 1 HE1 MET 1 -5.018 -24.510 5.038 8 HE2 MET 1 HE2 MET 1 -5.237 -23.095 6.095 9 HE3 MET 1 HE3 MET 1 -5.054 -24.716 6.806 10 H SER 2 H SER 2 -8.740 -19.540 2.214 11 HA SER 2 HA SER 2 -9.959 -19.119 0.467 12 HB2 SER 2 HB2 SER 2 -10.088 -21.799 0.516 13 HB3 SER 2 HB3 SER 2 -11.783 -21.489 0.835 14 HG SER 2 HG SER 2 -11.901 -21.342 -1.307 15 H THR 3 H THR 3 -10.766 -17.292 1.815 16 HA THR 3 HA THR 3 -13.538 -17.692 2.718 17 HB THR 3 HB THR 3 -11.357 -15.682 3.478 18 HG1 THR 3 HG1 THR 3 -12.918 -17.752 4.858 19 HG21 THR 3 HG21 THR 3 -13.304 -14.395 3.862 20 HG22 THR 3 HG22 THR 3 -14.318 -15.836 4.119 21 HG23 THR 3 HG23 THR 3 -13.183 -15.310 5.385 22 H ASP 4 H ASP 4 -11.464 -15.113 1.221 23 HA ASP 4 HA ASP 4 -13.850 -14.078 0.003 24 HB2 ASP 4 HB2 ASP 4 -11.160 -13.107 0.669 25 HB3 ASP 4 HB3 ASP 4 -11.586 -12.681 -0.977 26 H THR 5 H THR 5 -10.472 -15.016 -1.025 27 HA THR 5 HA THR 5 -9.683 -15.514 -3.082 28 HB THR 5 HB THR 5 -10.390 -17.672 -2.047 29 HG1 THR 5 HG1 THR 5 -10.794 -18.676 -4.278 30 HG21 THR 5 HG21 THR 5 -12.508 -18.723 -2.734 31 HG22 THR 5 HG22 THR 5 -12.880 -17.175 -1.940 32 HG23 THR 5 HG23 THR 5 -12.932 -17.300 -3.715 33 H GLY 6 H GLY 6 -11.055 -13.202 -3.416 34 HA2 GLY 6 HA2 GLY 6 -11.565 -13.086 -6.104 35 HA3 GLY 6 HA3 GLY 6 -13.123 -13.436 -5.382 36 H VAL 7 H VAL 7 -14.118 -11.425 -5.739 37 HA VAL 7 HA VAL 7 -12.959 -9.232 -4.173 38 HB VAL 7 HB VAL 7 -14.203 -9.067 -6.925 39 HG11 VAL 7 HG11 VAL 7 -14.690 -7.171 -5.254 40 HG12 VAL 7 HG12 VAL 7 -12.959 -6.778 -5.393 41 HG13 VAL 7 HG13 VAL 7 -14.002 -6.725 -6.834 42 HG21 VAL 7 HG21 VAL 7 -12.044 -9.773 -7.357 43 HG22 VAL 7 HG22 VAL 7 -11.833 -8.005 -7.344 44 HG23 VAL 7 HG23 VAL 7 -11.374 -8.967 -5.918 45 H SER 8 H SER 8 -14.345 -9.666 -2.410 46 HA SER 8 HA SER 8 -17.111 -10.032 -2.871 47 HB2 SER 8 HB2 SER 8 -16.207 -11.089 -0.930 48 HB3 SER 8 HB3 SER 8 -15.392 -9.630 -0.403 49 HG SER 8 HG SER 8 -17.511 -10.309 0.689 50 H LEU 9 H LEU 9 -15.170 -7.429 -1.210 51 HA LEU 9 HA LEU 9 -17.319 -5.650 -1.014 52 HB2 LEU 9 HB2 LEU 9 -14.337 -5.164 -1.013 53 HB3 LEU 9 HB3 LEU 9 -15.546 -3.975 -0.569 54 HG LEU 9 HG LEU 9 -15.765 -6.518 0.908 55 HD11 LEU 9 HD11 LEU 9 -13.163 -5.306 0.601 56 HD12 LEU 9 HD12 LEU 9 -13.706 -5.207 2.293 57 HD13 LEU 9 HD13 LEU 9 -13.636 -6.784 1.472 58 HD21 LEU 9 HD21 LEU 9 -15.632 -4.615 2.783 59 HD22 LEU 9 HD22 LEU 9 -16.063 -3.598 1.387 60 HD23 LEU 9 HD23 LEU 9 -17.112 -4.959 1.855 61 HA PRO 10 HA PRO 10 -17.524 -3.971 -4.983 62 HB2 PRO 10 HB2 PRO 10 -18.528 -1.476 -4.493 63 HB3 PRO 10 HB3 PRO 10 -19.520 -2.920 -4.523 64 HG2 PRO 10 HG2 PRO 10 -18.594 -1.355 -2.192 65 HG3 PRO 10 HG3 PRO 10 -19.903 -2.517 -2.284 66 HD2 PRO 10 HD2 PRO 10 -17.304 -2.946 -1.148 67 HD3 PRO 10 HD3 PRO 10 -18.572 -4.139 -1.345 68 H SER 11 H SER 11 -15.201 -4.165 -5.291 69 HA SER 11 HA SER 11 -14.212 -1.503 -5.758 70 HB2 SER 11 HB2 SER 11 -13.124 -3.368 -3.699 71 HB3 SER 11 HB3 SER 11 -11.923 -2.633 -4.743 72 HG SER 11 HG SER 11 -12.094 -0.940 -3.446 73 H TYR 12 H TYR 12 -12.881 -1.422 -7.604 74 HA TYR 12 HA TYR 12 -12.177 -2.135 -9.595 75 HB2 TYR 12 HB2 TYR 12 -11.005 -3.994 -7.474 76 HB3 TYR 12 HB3 TYR 12 -10.621 -4.316 -9.153 77 HD1 TYR 12 HD2 TYR 12 -10.177 -1.725 -10.352 78 HD2 TYR 12 HD1 TYR 12 -9.156 -3.071 -6.421 79 HE1 TYR 12 HE2 TYR 12 -8.302 -0.011 -10.245 80 HE2 TYR 12 HE1 TYR 12 -7.284 -1.353 -6.327 81 HH TYR 12 HH TYR 12 -7.015 1.149 -8.665 82 H GLU 13 H GLU 13 -13.994 -2.751 -10.783 83 HA GLU 13 HA GLU 13 -15.094 -5.351 -10.326 84 HB2 GLU 13 HB2 GLU 13 -15.782 -2.973 -12.043 85 HB3 GLU 13 HB3 GLU 13 -16.441 -4.533 -12.495 86 HG2 GLU 13 HG2 GLU 13 -18.027 -4.333 -10.891 87 HG3 GLU 13 HG3 GLU 13 -16.782 -4.297 -9.659 88 H GLU 14 H GLU 14 -15.603 -6.695 -12.471 89 HA GLU 14 HA GLU 14 -14.861 -7.900 -14.118 90 HB2 GLU 14 HB2 GLU 14 -14.373 -5.446 -15.043 91 HB3 GLU 14 HB3 GLU 14 -12.698 -5.935 -14.876 92 HG2 GLU 14 HG2 GLU 14 -12.940 -7.741 -16.424 93 HG3 GLU 14 HG3 GLU 14 -14.687 -7.742 -16.292 94 H ASP 15 H ASP 15 -12.802 -9.113 -14.984 95 HA ASP 15 HA ASP 15 -11.586 -10.313 -12.888 96 HB2 ASP 15 HB2 ASP 15 -11.604 -10.648 -15.611 97 HB3 ASP 15 HB3 ASP 15 -9.964 -10.072 -15.395 98 H GLN 16 H GLN 16 -9.237 -10.246 -12.186 99 HA GLN 16 HA GLN 16 -7.648 -8.060 -12.982 100 HB2 GLN 16 HB2 GLN 16 -9.340 -6.959 -11.426 101 HB3 GLN 16 HB3 GLN 16 -8.705 -7.947 -10.126 102 HG2 GLN 16 HG2 GLN 16 -6.600 -6.866 -10.142 103 HG3 GLN 16 HG3 GLN 16 -6.783 -6.307 -11.793 104 HE21 GLN 16 HE21 GLN 16 -7.530 -4.343 -12.178 105 HE22 GLN 16 HE22 GLN 16 -8.209 -3.253 -11.016 106 H GLY 17 H GLY 17 -8.381 -10.392 -10.301 107 HA2 GLY 17 HA2 GLY 17 -6.012 -10.799 -9.128 108 HA3 GLY 17 HA3 GLY 17 -7.109 -12.106 -9.527 109 H SER 18 H SER 18 -7.012 -12.599 -12.135 110 HA SER 18 HA SER 18 -4.749 -13.945 -12.566 111 HB2 SER 18 HB2 SER 18 -7.011 -13.064 -14.149 112 HB3 SER 18 HB3 SER 18 -5.564 -12.970 -15.134 113 HG SER 18 HG SER 18 -6.868 -15.113 -14.921 114 H LYS 19 H LYS 19 -5.449 -10.534 -13.573 115 HA LYS 19 HA LYS 19 -3.097 -10.073 -14.952 116 HB2 LYS 19 HB2 LYS 19 -5.304 -8.522 -13.848 117 HB3 LYS 19 HB3 LYS 19 -3.788 -7.651 -13.735 118 HG2 LYS 19 HG2 LYS 19 -3.559 -7.466 -16.023 119 HG3 LYS 19 HG3 LYS 19 -4.217 -9.061 -16.328 120 HD2 LYS 19 HD2 LYS 19 -6.120 -8.014 -17.002 121 HD3 LYS 19 HD3 LYS 19 -6.424 -7.680 -15.309 122 HE2 LYS 19 HE2 LYS 19 -4.511 -5.746 -16.379 123 HE3 LYS 19 HE3 LYS 19 -5.947 -5.786 -17.382 124 HZ1 LYS 19 HZ1 LYS 19 -6.403 -4.266 -15.642 125 HZ2 LYS 19 HZ2 LYS 19 -7.233 -5.600 -15.212 126 HZ3 LYS 19 HZ3 LYS 19 -5.790 -5.276 -14.510 127 H LEU 20 H LEU 20 -3.856 -9.763 -11.434 128 HA LEU 20 HA LEU 20 -1.365 -8.703 -10.725 129 HB2 LEU 20 HB2 LEU 20 -3.757 -9.732 -9.420 130 HB3 LEU 20 HB3 LEU 20 -2.299 -10.126 -8.532 131 HG LEU 20 HG LEU 20 -2.116 -7.383 -9.304 132 HD11 LEU 20 HD11 LEU 20 -4.225 -6.820 -7.716 133 HD12 LEU 20 HD12 LEU 20 -4.296 -6.837 -9.495 134 HD13 LEU 20 HD13 LEU 20 -4.850 -8.252 -8.568 135 HD21 LEU 20 HD21 LEU 20 -0.958 -8.100 -7.404 136 HD22 LEU 20 HD22 LEU 20 -2.285 -7.106 -6.756 137 HD23 LEU 20 HD23 LEU 20 -2.395 -8.882 -6.703 138 H ILE 21 H ILE 21 -2.455 -11.952 -11.558 139 HA ILE 21 HA ILE 21 -0.125 -13.178 -10.376 140 HB ILE 21 HB ILE 21 -2.307 -14.330 -12.118 141 HG12 ILE 21 HG12 ILE 21 -3.048 -13.290 -9.930 142 HG13 ILE 21 HG13 ILE 21 -3.455 -14.978 -10.167 143 HG21 ILE 21 HG21 ILE 21 -0.453 -15.839 -10.276 144 HG22 ILE 21 HG22 ILE 21 -1.530 -16.472 -11.545 145 HG23 ILE 21 HG23 ILE 21 -0.072 -15.553 -11.991 146 HD11 ILE 21 HD11 ILE 21 -0.824 -14.406 -8.837 147 HD12 ILE 21 HD12 ILE 21 -2.301 -14.084 -7.897 148 HD13 ILE 21 HD13 ILE 21 -1.989 -15.717 -8.533 149 H ARG 22 H ARG 22 -1.048 -11.607 -13.338 150 HA ARG 22 HA ARG 22 0.518 -13.021 -15.108 151 HB2 ARG 22 HB2 ARG 22 -1.182 -10.840 -15.250 152 HB3 ARG 22 HB3 ARG 22 0.365 -10.067 -15.529 153 HG2 ARG 22 HG2 ARG 22 0.488 -10.904 -17.636 154 HG3 ARG 22 HG3 ARG 22 0.230 -12.540 -17.062 155 HD2 ARG 22 HD2 ARG 22 -2.065 -12.471 -17.445 156 HD3 ARG 22 HD3 ARG 22 -2.186 -10.759 -17.089 157 HE ARG 22 HE ARG 22 -1.897 -10.322 -19.360 158 HH11 ARG 22 HH22 ARG 22 -0.523 -13.514 -18.666 159 HH12 ARG 22 HH21 ARG 22 -0.151 -13.851 -20.324 160 HH21 ARG 22 HH12 ARG 22 -1.407 -10.773 -21.510 161 HH22 ARG 22 HH11 ARG 22 -0.660 -12.275 -21.950 162 H LYS 23 H LYS 23 1.226 -10.120 -13.053 163 HA LYS 23 HA LYS 23 3.786 -9.631 -13.998 164 HB2 LYS 23 HB2 LYS 23 2.467 -9.097 -11.326 165 HB3 LYS 23 HB3 LYS 23 4.079 -8.534 -11.720 166 HG2 LYS 23 HG2 LYS 23 1.805 -7.970 -13.641 167 HG3 LYS 23 HG3 LYS 23 1.966 -6.991 -12.196 168 HD2 LYS 23 HD2 LYS 23 3.996 -6.047 -12.881 169 HD3 LYS 23 HD3 LYS 23 4.446 -7.438 -13.847 170 HE2 LYS 23 HE2 LYS 23 3.492 -6.563 -15.720 171 HE3 LYS 23 HE3 LYS 23 1.991 -6.221 -14.884 172 HZ1 LYS 23 HZ1 LYS 23 3.303 -4.254 -13.884 173 HZ2 LYS 23 HZ2 LYS 23 4.370 -4.488 -15.092 174 HZ3 LYS 23 HZ3 LYS 23 2.802 -4.176 -15.441 175 H ALA 24 H ALA 24 3.331 -10.866 -10.649 176 HA ALA 24 HA ALA 24 5.151 -13.065 -11.287 177 HB1 ALA 24 HB1 ALA 24 6.182 -10.811 -10.251 178 HB2 ALA 24 HB2 ALA 24 5.601 -11.554 -8.741 179 HB3 ALA 24 HB3 ALA 24 6.760 -12.425 -9.773 180 H LYS 25 H LYS 25 4.729 -14.950 -10.118 181 HA LYS 25 HA LYS 25 2.236 -14.877 -8.629 182 HB2 LYS 25 HB2 LYS 25 2.530 -16.508 -10.456 183 HB3 LYS 25 HB3 LYS 25 3.900 -17.211 -9.620 184 HG2 LYS 25 HG2 LYS 25 2.075 -17.316 -7.601 185 HG3 LYS 25 HG3 LYS 25 0.976 -17.388 -8.964 186 HD2 LYS 25 HD2 LYS 25 2.892 -19.192 -9.776 187 HD3 LYS 25 HD3 LYS 25 2.985 -19.394 -8.038 188 HE2 LYS 25 HE2 LYS 25 0.200 -19.282 -8.656 189 HE3 LYS 25 HE3 LYS 25 0.917 -20.314 -9.877 190 HZ1 LYS 25 HZ1 LYS 25 2.017 -20.975 -7.363 191 HZ2 LYS 25 HZ2 LYS 25 0.395 -20.979 -7.221 192 HZ3 LYS 25 HZ3 LYS 25 1.114 -21.878 -8.386 193 H GLU 26 H GLU 26 2.886 -13.835 -6.688 194 HA GLU 26 HA GLU 26 3.608 -15.462 -4.665 195 HB2 GLU 26 HB2 GLU 26 5.920 -14.928 -6.207 196 HB3 GLU 26 HB3 GLU 26 6.073 -13.892 -4.801 197 HG2 GLU 26 HG2 GLU 26 5.960 -15.738 -3.277 198 HG3 GLU 26 HG3 GLU 26 5.298 -16.815 -4.491 199 H ALA 27 H ALA 27 4.235 -12.167 -6.024 200 HA ALA 27 HA ALA 27 3.787 -10.143 -5.253 201 HB1 ALA 27 HB1 ALA 27 1.926 -10.723 -3.114 202 HB2 ALA 27 HB2 ALA 27 1.613 -9.999 -4.709 203 HB3 ALA 27 HB3 ALA 27 1.582 -11.768 -4.513 204 HA PRO 28 HA PRO 28 6.461 -10.950 -1.642 205 HB2 PRO 28 HB2 PRO 28 8.846 -10.134 -2.696 206 HB3 PRO 28 HB3 PRO 28 8.341 -11.811 -2.653 207 HG2 PRO 28 HG2 PRO 28 8.415 -9.957 -4.954 208 HG3 PRO 28 HG3 PRO 28 8.329 -11.708 -4.957 209 HD2 PRO 28 HD2 PRO 28 6.174 -9.883 -5.461 210 HD3 PRO 28 HD3 PRO 28 6.065 -11.628 -5.350 211 H PHE 29 H PHE 29 8.498 -9.181 -1.008 212 HA PHE 29 HA PHE 29 6.839 -6.822 -0.643 213 HB2 PHE 29 HB2 PHE 29 7.998 -7.947 1.287 214 HB3 PHE 29 HB3 PHE 29 9.539 -7.802 0.464 215 HD1 PHE 29 HD1 PHE 29 6.789 -5.778 1.928 216 HD2 PHE 29 HD2 PHE 29 10.870 -5.902 0.771 217 HE1 PHE 29 HE1 PHE 29 7.170 -3.557 3.035 218 HE2 PHE 29 HE2 PHE 29 11.251 -3.682 1.878 219 HZ PHE 29 HZ PHE 29 9.397 -2.536 2.997 220 H VAL 30 H VAL 30 9.659 -7.982 -2.420 221 HA VAL 30 HA VAL 30 11.086 -5.689 -2.817 222 HB VAL 30 HB VAL 30 10.643 -8.240 -4.194 223 HG11 VAL 30 HG11 VAL 30 10.280 -7.139 -6.202 224 HG12 VAL 30 HG12 VAL 30 11.308 -5.756 -5.755 225 HG13 VAL 30 HG13 VAL 30 12.052 -7.311 -6.200 226 HG21 VAL 30 HG21 VAL 30 12.702 -8.523 -3.393 227 HG22 VAL 30 HG22 VAL 30 13.302 -7.222 -4.451 228 HG23 VAL 30 HG23 VAL 30 12.713 -6.839 -2.815 229 HA PRO 31 HA PRO 31 7.997 -4.527 -6.209 230 HB2 PRO 31 HB2 PRO 31 5.621 -5.862 -6.411 231 HB3 PRO 31 HB3 PRO 31 7.025 -6.251 -7.385 232 HG2 PRO 31 HG2 PRO 31 5.917 -7.711 -5.067 233 HG3 PRO 31 HG3 PRO 31 7.028 -8.283 -6.295 234 HD2 PRO 31 HD2 PRO 31 7.683 -7.519 -3.609 235 HD3 PRO 31 HD3 PRO 31 8.808 -7.979 -4.871 236 H VAL 32 H VAL 32 7.005 -5.343 -3.057 237 HA VAL 32 HA VAL 32 4.811 -3.531 -2.991 238 HB VAL 32 HB VAL 32 6.430 -4.905 -0.839 239 HG11 VAL 32 HG11 VAL 32 5.434 -2.955 0.154 240 HG12 VAL 32 HG12 VAL 32 3.873 -3.284 -0.636 241 HG13 VAL 32 HG13 VAL 32 4.472 -4.371 0.640 242 HG21 VAL 32 HG21 VAL 32 3.601 -5.596 -1.579 243 HG22 VAL 32 HG22 VAL 32 4.944 -6.193 -2.584 244 HG23 VAL 32 HG23 VAL 32 4.871 -6.613 -0.856 245 H GLY 33 H GLY 33 8.310 -3.422 -2.176 246 HA2 GLY 33 HA2 GLY 33 8.172 -0.804 -1.015 247 HA3 GLY 33 HA3 GLY 33 9.607 -1.718 -1.437 248 H ILE 34 H ILE 34 9.386 -2.177 -4.159 249 HA ILE 34 HA ILE 34 10.144 0.294 -5.216 250 HB ILE 34 HB ILE 34 9.438 -2.354 -6.469 251 HG12 ILE 34 HG12 ILE 34 11.433 -2.269 -4.998 252 HG13 ILE 34 HG13 ILE 34 11.810 -2.663 -6.663 253 HG21 ILE 34 HG21 ILE 34 11.004 -0.927 -8.285 254 HG22 ILE 34 HG22 ILE 34 9.280 -1.340 -8.440 255 HG23 ILE 34 HG23 ILE 34 9.760 0.229 -7.750 256 HD11 ILE 34 HD11 ILE 34 13.424 -1.039 -6.293 257 HD12 ILE 34 HD12 ILE 34 12.099 0.008 -6.855 258 HD13 ILE 34 HD13 ILE 34 12.420 -0.162 -5.113 259 H ALA 35 H ALA 35 7.192 -1.713 -5.919 260 HA ALA 35 HA ALA 35 5.940 0.268 -7.430 261 HB1 ALA 35 HB1 ALA 35 4.087 -1.186 -7.404 262 HB2 ALA 35 HB2 ALA 35 5.475 -2.279 -7.180 263 HB3 ALA 35 HB3 ALA 35 4.479 -1.807 -5.782 264 H GLY 36 H GLY 36 5.489 -0.698 -3.954 265 HA2 GLY 36 HA2 GLY 36 3.574 0.983 -3.120 266 HA3 GLY 36 HA3 GLY 36 4.996 0.608 -2.167 267 H PHE 37 H PHE 37 7.072 1.878 -3.548 268 HA PHE 37 HA PHE 37 6.717 4.530 -2.713 269 HB2 PHE 37 HB2 PHE 37 8.803 2.846 -3.233 270 HB3 PHE 37 HB3 PHE 37 8.767 3.662 -4.784 271 HD1 PHE 37 HD2 PHE 37 9.252 4.155 -1.162 272 HD2 PHE 37 HD1 PHE 37 9.569 5.895 -5.020 273 HE1 PHE 37 HE2 PHE 37 10.600 6.041 -0.201 274 HE2 PHE 37 HE1 PHE 37 10.917 7.781 -4.058 275 HZ PHE 37 HZ PHE 37 11.417 7.832 -1.660 276 H ALA 38 H ALA 38 6.788 2.974 -5.984 277 HA ALA 38 HA ALA 38 6.652 5.292 -7.483 278 HB1 ALA 38 HB1 ALA 38 5.500 2.521 -8.002 279 HB2 ALA 38 HB2 ALA 38 5.723 3.783 -9.237 280 HB3 ALA 38 HB3 ALA 38 7.138 3.083 -8.414 281 H ALA 39 H ALA 39 3.907 3.114 -6.494 282 HA ALA 39 HA ALA 39 1.892 4.768 -7.407 283 HB1 ALA 39 HB1 ALA 39 2.177 2.330 -5.985 284 HB2 ALA 39 HB2 ALA 39 1.114 3.362 -4.999 285 HB3 ALA 39 HB3 ALA 39 0.691 3.009 -6.691 286 H ILE 40 H ILE 40 3.158 4.444 -4.009 287 HA ILE 40 HA ILE 40 1.714 6.332 -2.776 288 HB ILE 40 HB ILE 40 4.589 5.524 -2.516 289 HG12 ILE 40 HG12 ILE 40 2.275 5.172 -0.598 290 HG13 ILE 40 HG13 ILE 40 2.627 4.029 -1.879 291 HG21 ILE 40 HG21 ILE 40 3.388 7.947 -1.439 292 HG22 ILE 40 HG22 ILE 40 3.975 6.858 -0.159 293 HG23 ILE 40 HG23 ILE 40 5.084 7.407 -1.438 294 HD11 ILE 40 HD11 ILE 40 4.552 3.253 -0.860 295 HD12 ILE 40 HD12 ILE 40 4.944 4.840 -0.156 296 HD13 ILE 40 HD13 ILE 40 3.699 3.814 0.598 297 H VAL 41 H VAL 41 4.693 6.952 -4.749 298 HA VAL 41 HA VAL 41 4.737 9.695 -4.401 299 HB VAL 41 HB VAL 41 5.662 7.848 -6.591 300 HG11 VAL 41 HG11 VAL 41 6.909 9.696 -7.588 301 HG12 VAL 41 HG12 VAL 41 5.163 10.039 -7.616 302 HG13 VAL 41 HG13 VAL 41 6.207 10.831 -6.410 303 HG21 VAL 41 HG21 VAL 41 6.673 8.608 -4.043 304 HG22 VAL 41 HG22 VAL 41 7.437 7.572 -5.273 305 HG23 VAL 41 HG23 VAL 41 7.738 9.327 -5.275 306 H ALA 42 H ALA 42 3.024 7.664 -6.856 307 HA ALA 42 HA ALA 42 2.003 9.762 -8.359 308 HB1 ALA 42 HB1 ALA 42 1.441 7.917 -9.513 309 HB2 ALA 42 HB2 ALA 42 1.677 6.889 -8.080 310 HB3 ALA 42 HB3 ALA 42 0.104 7.672 -8.364 311 H TYR 43 H TYR 43 0.361 7.848 -5.732 312 HA TYR 43 HA TYR 43 -1.950 9.250 -5.570 313 HB2 TYR 43 HB2 TYR 43 -0.090 7.698 -3.796 314 HB3 TYR 43 HB3 TYR 43 -1.183 8.738 -2.905 315 HD1 TYR 43 HD2 TYR 43 -0.938 5.793 -5.096 316 HD2 TYR 43 HD1 TYR 43 -3.588 8.308 -2.868 317 HE1 TYR 43 HE2 TYR 43 -2.777 4.049 -5.300 318 HE2 TYR 43 HE1 TYR 43 -5.417 6.555 -3.079 319 HH TYR 43 HH TYR 43 -5.672 4.459 -5.143 320 H GLY 44 H GLY 44 1.151 10.026 -3.847 321 HA2 GLY 44 HA2 GLY 44 0.206 12.285 -2.492 322 HA3 GLY 44 HA3 GLY 44 1.875 11.923 -2.885 323 H LEU 45 H LEU 45 1.582 11.839 -5.796 324 HA LEU 45 HA LEU 45 1.995 14.526 -6.366 325 HB2 LEU 45 HB2 LEU 45 1.809 11.987 -7.829 326 HB3 LEU 45 HB3 LEU 45 1.357 13.390 -8.778 327 HG LEU 45 HG LEU 45 3.882 13.614 -7.223 328 HD11 LEU 45 HD11 LEU 45 5.178 12.166 -8.439 329 HD12 LEU 45 HD12 LEU 45 3.667 11.233 -8.324 330 HD13 LEU 45 HD13 LEU 45 4.050 12.127 -9.815 331 HD21 LEU 45 HD21 LEU 45 3.807 14.249 -10.097 332 HD22 LEU 45 HD22 LEU 45 2.638 15.150 -9.103 333 HD23 LEU 45 HD23 LEU 45 4.373 15.216 -8.714 334 H TYR 46 H TYR 46 -0.917 12.425 -6.759 335 HA TYR 46 HA TYR 46 -2.472 14.427 -7.995 336 HB2 TYR 46 HB2 TYR 46 -2.719 11.736 -6.646 337 HB3 TYR 46 HB3 TYR 46 -4.200 12.672 -6.682 338 HD1 TYR 46 HD1 TYR 46 -1.448 11.593 -8.998 339 HD2 TYR 46 HD2 TYR 46 -5.615 12.426 -8.509 340 HE1 TYR 46 HE1 TYR 46 -1.890 10.814 -11.377 341 HE2 TYR 46 HE2 TYR 46 -6.044 11.645 -10.890 342 HH TYR 46 HH TYR 46 -4.612 11.528 -13.029 343 H LYS 47 H LYS 47 -1.963 13.410 -4.577 344 HA LYS 47 HA LYS 47 -4.041 14.879 -3.466 345 HB2 LYS 47 HB2 LYS 47 -2.321 13.089 -2.508 346 HB3 LYS 47 HB3 LYS 47 -1.464 14.525 -1.985 347 HG2 LYS 47 HG2 LYS 47 -4.195 15.016 -1.358 348 HG3 LYS 47 HG3 LYS 47 -3.913 13.347 -0.905 349 HD2 LYS 47 HD2 LYS 47 -2.237 13.907 0.665 350 HD3 LYS 47 HD3 LYS 47 -1.873 15.436 -0.111 351 HE2 LYS 47 HE2 LYS 47 -3.154 16.350 1.551 352 HE3 LYS 47 HE3 LYS 47 -4.513 15.839 0.571 353 HZ1 LYS 47 HZ1 LYS 47 -4.953 14.100 1.976 354 HZ2 LYS 47 HZ2 LYS 47 -3.397 13.830 2.372 355 HZ3 LYS 47 HZ3 LYS 47 -4.198 15.092 3.037 356 H LEU 48 H LEU 48 -0.670 15.791 -4.346 357 HA LEU 48 HA LEU 48 -0.386 18.177 -3.166 358 HB2 LEU 48 HB2 LEU 48 0.604 16.868 -5.536 359 HB3 LEU 48 HB3 LEU 48 0.440 18.589 -5.823 360 HG LEU 48 HG LEU 48 2.675 18.105 -5.072 361 HD11 LEU 48 HD11 LEU 48 1.365 20.173 -4.246 362 HD12 LEU 48 HD12 LEU 48 1.375 19.358 -2.663 363 HD13 LEU 48 HD13 LEU 48 2.912 19.768 -3.462 364 HD21 LEU 48 HD21 LEU 48 2.404 17.348 -2.368 365 HD22 LEU 48 HD22 LEU 48 1.353 16.260 -3.305 366 HD23 LEU 48 HD23 LEU 48 3.080 16.400 -3.714 367 H LYS 49 H LYS 49 -1.897 17.849 -6.460 368 HA LYS 49 HA LYS 49 -3.102 20.447 -6.103 369 HB2 LYS 49 HB2 LYS 49 -3.676 20.300 -8.409 370 HB3 LYS 49 HB3 LYS 49 -2.035 19.712 -8.243 371 HG2 LYS 49 HG2 LYS 49 -3.286 17.344 -7.957 372 HG3 LYS 49 HG3 LYS 49 -4.555 18.167 -8.841 373 HD2 LYS 49 HD2 LYS 49 -3.003 18.696 -10.681 374 HD3 LYS 49 HD3 LYS 49 -1.651 18.041 -9.778 375 HE2 LYS 49 HE2 LYS 49 -2.453 15.793 -9.968 376 HE3 LYS 49 HE3 LYS 49 -4.073 16.309 -10.394 377 HZ1 LYS 49 HZ1 LYS 49 -2.886 17.346 -12.441 378 HZ2 LYS 49 HZ2 LYS 49 -1.666 16.324 -12.093 379 HZ3 LYS 49 HZ3 LYS 49 -3.165 15.735 -12.380 380 H SER 50 H SER 50 -5.185 20.854 -5.507 381 HA SER 50 HA SER 50 -6.657 18.699 -4.466 382 HB2 SER 50 HB2 SER 50 -8.160 20.343 -3.660 383 HB3 SER 50 HB3 SER 50 -6.607 21.156 -3.671 384 HG SER 50 HG SER 50 -8.910 21.685 -5.164 385 H ARG 51 H ARG 51 -8.287 17.484 -5.409 386 HA ARG 51 HA ARG 51 -9.973 18.436 -7.353 387 HB2 ARG 51 HB2 ARG 51 -7.831 18.337 -8.750 388 HB3 ARG 51 HB3 ARG 51 -7.818 16.601 -8.515 389 HG2 ARG 51 HG2 ARG 51 -10.203 16.569 -9.495 390 HG3 ARG 51 HG3 ARG 51 -9.956 18.247 -9.937 391 HD2 ARG 51 HD2 ARG 51 -7.819 17.487 -11.167 392 HD3 ARG 51 HD3 ARG 51 -8.349 15.838 -10.901 393 HE ARG 51 HE ARG 51 -10.541 17.257 -12.032 394 HH11 ARG 51 HH22 ARG 51 -7.298 16.190 -12.980 395 HH12 ARG 51 HH21 ARG 51 -7.693 16.074 -14.662 396 HH21 ARG 51 HH12 ARG 51 -11.040 17.104 -14.220 397 HH22 ARG 51 HH11 ARG 51 -9.841 16.601 -15.367 398 H GLY 52 H GLY 52 -11.760 17.153 -7.002 399 HA2 GLY 52 HA2 GLY 52 -12.707 14.947 -7.236 400 HA3 GLY 52 HA3 GLY 52 -11.296 14.288 -6.433 401 H ASN 53 H ASN 53 -13.383 13.395 -5.193 402 HA ASN 53 HA ASN 53 -14.059 15.321 -3.122 403 HB2 ASN 53 HB2 ASN 53 -15.845 13.979 -4.538 404 HB3 ASN 53 HB3 ASN 53 -15.404 12.617 -3.527 405 HD21 ASN 53 HD21 ASN 53 -15.559 12.850 -1.208 406 HD22 ASN 53 HD22 ASN 53 -16.777 13.865 -0.510 407 H THR 54 H THR 54 -13.259 11.815 -3.715 408 HA THR 54 HA THR 54 -12.922 11.004 -1.109 409 HB THR 54 HB THR 54 -11.548 10.201 -3.723 410 HG1 THR 54 HG1 THR 54 -13.628 9.039 -2.012 411 HG21 THR 54 HG21 THR 54 -11.190 7.995 -2.541 412 HG22 THR 54 HG22 THR 54 -10.192 9.301 -1.859 413 HG23 THR 54 HG23 THR 54 -11.668 8.775 -1.014 414 H LYS 55 H LYS 55 -11.306 10.999 0.421 415 HA LYS 55 HA LYS 55 -9.521 11.712 1.507 416 HB2 LYS 55 HB2 LYS 55 -8.514 10.830 -0.861 417 HB3 LYS 55 HB3 LYS 55 -7.943 12.487 -0.880 418 HG2 LYS 55 HG2 LYS 55 -6.356 12.014 0.669 419 HG3 LYS 55 HG3 LYS 55 -7.566 11.417 1.788 420 HD2 LYS 55 HD2 LYS 55 -6.448 9.751 -0.514 421 HD3 LYS 55 HD3 LYS 55 -5.785 9.717 1.108 422 HE2 LYS 55 HE2 LYS 55 -8.403 9.296 1.724 423 HE3 LYS 55 HE3 LYS 55 -8.401 8.636 0.101 424 HZ1 LYS 55 HZ1 LYS 55 -6.939 6.970 0.712 425 HZ2 LYS 55 HZ2 LYS 55 -6.240 7.819 1.913 426 HZ3 LYS 55 HZ3 LYS 55 -7.742 7.204 2.118 427 H MET 56 H MET 56 -9.660 13.543 2.675 428 HA MET 56 HA MET 56 -9.345 16.039 1.296 429 HB2 MET 56 HB2 MET 56 -11.436 17.000 2.282 430 HB3 MET 56 HB3 MET 56 -11.816 15.650 1.231 431 HG2 MET 56 HG2 MET 56 -11.376 14.483 3.784 432 HG3 MET 56 HG3 MET 56 -12.294 15.940 4.108 433 HE1 MET 56 HE1 MET 56 -14.837 16.120 3.766 434 HE2 MET 56 HE2 MET 56 -15.664 14.544 3.786 435 HE3 MET 56 HE3 MET 56 -14.345 14.872 4.935 436 H SER 57 H SER 57 -7.394 15.123 2.821 437 HA SER 57 HA SER 57 -6.139 15.516 4.546 438 HB2 SER 57 HB2 SER 57 -7.883 17.881 4.437 439 HB3 SER 57 HB3 SER 57 -7.307 17.577 6.063 440 HG SER 57 HG SER 57 -5.185 17.811 5.414 441 H ILE 58 H ILE 58 -5.895 14.880 6.781 442 HA ILE 58 HA ILE 58 -8.364 14.287 8.210 443 HB ILE 58 HB ILE 58 -6.253 12.264 7.472 444 HG12 ILE 58 HG12 ILE 58 -8.686 11.129 6.995 445 HG13 ILE 58 HG13 ILE 58 -9.044 12.809 6.648 446 HG21 ILE 58 HG21 ILE 58 -7.143 10.731 9.017 447 HG22 ILE 58 HG22 ILE 58 -6.930 12.244 9.930 448 HG23 ILE 58 HG23 ILE 58 -8.549 11.764 9.368 449 HD11 ILE 58 HD11 ILE 58 -7.965 11.131 4.811 450 HD12 ILE 58 HD12 ILE 58 -7.642 12.882 4.814 451 HD13 ILE 58 HD13 ILE 58 -6.466 11.758 5.538 452 H HIS 59 H HIS 59 -4.796 13.636 8.487 453 HA HIS 59 HA HIS 59 -4.684 15.510 10.675 454 HB2 HIS 59 HB2 HIS 59 -4.617 12.560 11.039 455 HB3 HIS 59 HB3 HIS 59 -3.404 13.476 11.911 456 HD1 HIS 59 HD1 HIS 59 -6.178 11.947 12.937 457 HD2 HIS 59 HD2 HIS 59 -5.326 16.052 12.796 458 HE1 HIS 59 HE1 HIS 59 -7.719 13.056 14.641 459 H LEU 60 H LEU 60 -3.483 16.412 8.701 460 HA LEU 60 HA LEU 60 -0.730 16.127 9.155 461 HB2 LEU 60 HB2 LEU 60 -0.032 15.168 7.033 462 HB3 LEU 60 HB3 LEU 60 -0.927 14.026 8.016 463 HG LEU 60 HG LEU 60 -2.813 15.301 6.308 464 HD11 LEU 60 HD11 LEU 60 -2.000 15.036 4.122 465 HD12 LEU 60 HD12 LEU 60 -0.700 15.881 4.996 466 HD13 LEU 60 HD13 LEU 60 -0.563 14.137 4.667 467 HD21 LEU 60 HD21 LEU 60 -3.343 13.160 6.948 468 HD22 LEU 60 HD22 LEU 60 -2.750 12.879 5.293 469 HD23 LEU 60 HD23 LEU 60 -1.691 12.549 6.685 470 H ILE 61 H ILE 61 -0.255 18.254 9.059 471 HA ILE 61 HA ILE 61 -0.939 19.656 6.613 472 HB ILE 61 HB ILE 61 -1.892 20.476 9.350 473 HG12 ILE 61 HG12 ILE 61 -3.360 19.005 8.006 474 HG13 ILE 61 HG13 ILE 61 -4.064 20.578 8.323 475 HG21 ILE 61 HG21 ILE 61 -2.676 22.529 7.772 476 HG22 ILE 61 HG22 ILE 61 -1.215 22.549 8.789 477 HG23 ILE 61 HG23 ILE 61 -1.089 22.162 7.056 478 HD11 ILE 61 HD11 ILE 61 -4.490 20.209 6.015 479 HD12 ILE 61 HD12 ILE 61 -3.076 21.289 6.019 480 HD13 ILE 61 HD13 ILE 61 -2.863 19.546 5.732 481 H HIS 62 H HIS 62 1.341 19.433 6.213 482 HA HIS 62 HA HIS 62 2.817 21.609 7.111 483 HB2 HIS 62 HB2 HIS 62 3.064 20.581 9.229 484 HB3 HIS 62 HB3 HIS 62 3.370 19.003 8.530 485 HD1 HIS 62 HD1 HIS 62 5.736 18.418 9.063 486 HD2 HIS 62 HD2 HIS 62 5.334 22.423 7.882 487 HE1 HIS 62 HE1 HIS 62 8.097 19.385 8.999 488 H MET 63 H MET 63 3.356 18.105 6.279 489 HA MET 63 HA MET 63 4.293 18.924 3.706 490 HB2 MET 63 HB2 MET 63 6.120 18.304 5.928 491 HB3 MET 63 HB3 MET 63 6.343 17.153 4.625 492 HG2 MET 63 HG2 MET 63 7.693 18.757 3.704 493 HG3 MET 63 HG3 MET 63 6.197 19.517 3.201 494 HE1 MET 63 HE1 MET 63 9.433 20.305 4.591 495 HE2 MET 63 HE2 MET 63 9.204 21.007 6.211 496 HE3 MET 63 HE3 MET 63 8.922 19.270 5.946 497 H ARG 64 H ARG 64 3.919 17.322 2.170 498 HA ARG 64 HA ARG 64 2.360 15.166 2.984 499 HB2 ARG 64 HB2 ARG 64 3.303 16.356 0.481 500 HB3 ARG 64 HB3 ARG 64 3.378 14.609 0.375 501 HG2 ARG 64 HG2 ARG 64 1.147 14.615 -0.038 502 HG3 ARG 64 HG3 ARG 64 0.900 15.098 1.628 503 HD2 ARG 64 HD2 ARG 64 1.323 17.012 -0.719 504 HD3 ARG 64 HD3 ARG 64 -0.218 16.668 0.042 505 HE ARG 64 HE ARG 64 0.507 17.832 2.030 506 HH11 ARG 64 HH22 ARG 64 2.907 17.930 -0.575 507 HH12 ARG 64 HH21 ARG 64 3.789 19.249 0.118 508 HH21 ARG 64 HH12 ARG 64 1.662 19.546 2.920 509 HH22 ARG 64 HH11 ARG 64 3.070 20.172 2.123 510 H VAL 65 H VAL 65 5.680 15.301 1.479 511 HA VAL 65 HA VAL 65 6.346 12.703 1.474 512 HB VAL 65 HB VAL 65 8.024 15.084 2.281 513 HG11 VAL 65 HG11 VAL 65 8.910 12.721 2.891 514 HG12 VAL 65 HG12 VAL 65 9.137 12.525 1.136 515 HG13 VAL 65 HG13 VAL 65 9.978 13.834 2.001 516 HG21 VAL 65 HG21 VAL 65 8.237 15.579 0.094 517 HG22 VAL 65 HG22 VAL 65 8.365 13.869 -0.383 518 HG23 VAL 65 HG23 VAL 65 6.765 14.598 -0.108 519 H ALA 66 H ALA 66 6.692 14.926 4.327 520 HA ALA 66 HA ALA 66 7.711 13.130 6.111 521 HB1 ALA 66 HB1 ALA 66 6.207 14.602 7.750 522 HB2 ALA 66 HB2 ALA 66 7.610 15.299 6.905 523 HB3 ALA 66 HB3 ALA 66 5.967 15.570 6.275 524 H ALA 67 H ALA 67 4.183 13.899 5.638 525 HA ALA 67 HA ALA 67 3.193 11.976 7.322 526 HB1 ALA 67 HB1 ALA 67 2.237 13.808 5.360 527 HB2 ALA 67 HB2 ALA 67 1.509 12.225 4.996 528 HB3 ALA 67 HB3 ALA 67 1.302 12.951 6.608 529 H GLN 68 H GLN 68 4.601 11.673 4.076 530 HA GLN 68 HA GLN 68 3.538 9.145 3.536 531 HB2 GLN 68 HB2 GLN 68 4.834 10.977 2.047 532 HB3 GLN 68 HB3 GLN 68 6.210 9.958 2.420 533 HG2 GLN 68 HG2 GLN 68 5.383 8.144 1.217 534 HG3 GLN 68 HG3 GLN 68 3.709 8.550 1.537 535 HE21 GLN 68 HE21 GLN 68 6.596 9.556 -0.240 536 HE22 GLN 68 HE22 GLN 68 5.793 10.281 -1.593 537 H GLY 69 H GLY 69 6.544 10.301 5.143 538 HA2 GLY 69 HA2 GLY 69 7.799 7.778 5.355 539 HA3 GLY 69 HA3 GLY 69 8.143 9.216 6.295 540 H PHE 70 H PHE 70 5.604 9.667 7.534 541 HA PHE 70 HA PHE 70 5.809 7.972 9.723 542 HB2 PHE 70 HB2 PHE 70 4.595 10.353 9.070 543 HB3 PHE 70 HB3 PHE 70 3.194 9.305 8.965 544 HD1 PHE 70 HD2 PHE 70 3.236 7.523 11.109 545 HD2 PHE 70 HD1 PHE 70 4.722 11.498 11.054 546 HE1 PHE 70 HE2 PHE 70 2.942 7.668 13.597 547 HE2 PHE 70 HE1 PHE 70 4.428 11.642 13.542 548 HZ PHE 70 HZ PHE 70 3.541 9.725 14.784 549 H VAL 71 H VAL 71 3.189 8.134 7.198 550 HA VAL 71 HA VAL 71 1.802 5.916 8.110 551 HB VAL 71 HB VAL 71 2.064 7.192 5.387 552 HG11 VAL 71 HG11 VAL 71 0.603 4.753 6.229 553 HG12 VAL 71 HG12 VAL 71 -0.338 5.931 5.283 554 HG13 VAL 71 HG13 VAL 71 1.171 5.257 4.619 555 HG21 VAL 71 HG21 VAL 71 0.671 7.886 7.804 556 HG22 VAL 71 HG22 VAL 71 0.732 8.756 6.252 557 HG23 VAL 71 HG23 VAL 71 -0.515 7.516 6.529 558 H VAL 72 H VAL 72 4.632 6.225 5.925 559 HA VAL 72 HA VAL 72 4.640 3.648 4.920 560 HB VAL 72 HB VAL 72 6.681 5.775 5.416 561 HG11 VAL 72 HG11 VAL 72 8.197 4.101 5.795 562 HG12 VAL 72 HG12 VAL 72 7.252 2.887 4.900 563 HG13 VAL 72 HG13 VAL 72 8.209 4.099 4.015 564 HG21 VAL 72 HG21 VAL 72 6.336 4.463 2.775 565 HG22 VAL 72 HG22 VAL 72 4.928 5.360 3.395 566 HG23 VAL 72 HG23 VAL 72 6.492 6.186 3.194 567 H GLY 73 H GLY 73 6.247 4.983 7.890 568 HA2 GLY 73 HA2 GLY 73 7.433 2.632 8.764 569 HA3 GLY 73 HA3 GLY 73 6.929 3.971 9.776 570 H ALA 74 H ALA 74 4.157 4.004 9.552 571 HA ALA 74 HA ALA 74 3.409 1.980 11.300 572 HB1 ALA 74 HB1 ALA 74 2.094 4.132 9.710 573 HB2 ALA 74 HB2 ALA 74 1.041 2.809 10.267 574 HB3 ALA 74 HB3 ALA 74 1.978 3.757 11.447 575 H MET 75 H MET 75 3.263 2.245 7.722 576 HA MET 75 HA MET 75 1.682 -0.053 7.411 577 HB2 MET 75 HB2 MET 75 2.280 1.965 5.776 578 HB3 MET 75 HB3 MET 75 3.669 0.987 5.344 579 HG2 MET 75 HG2 MET 75 1.625 -0.883 5.199 580 HG3 MET 75 HG3 MET 75 0.791 0.574 4.697 581 HE1 MET 75 HE1 MET 75 1.505 -0.840 1.213 582 HE2 MET 75 HE2 MET 75 0.731 -1.458 2.692 583 HE3 MET 75 HE3 MET 75 0.411 0.207 2.148 584 H THR 76 H THR 76 5.188 0.569 7.671 585 HA THR 76 HA THR 76 6.060 -1.916 6.676 586 HB THR 76 HB THR 76 7.250 0.175 8.565 587 HG1 THR 76 HG1 THR 76 7.431 1.028 6.528 588 HG21 THR 76 HG21 THR 76 8.917 -1.781 6.981 589 HG22 THR 76 HG22 THR 76 9.324 -0.914 8.481 590 HG23 THR 76 HG23 THR 76 8.251 -2.333 8.536 591 H VAL 77 H VAL 77 5.567 -0.782 10.088 592 HA VAL 77 HA VAL 77 6.139 -3.283 11.201 593 HB VAL 77 HB VAL 77 5.078 -2.349 13.207 594 HG11 VAL 77 HG11 VAL 77 6.452 0.017 12.882 595 HG12 VAL 77 HG12 VAL 77 7.171 -1.541 13.354 596 HG13 VAL 77 HG13 VAL 77 7.194 -1.030 11.649 597 HG21 VAL 77 HG21 VAL 77 3.190 -1.169 12.490 598 HG22 VAL 77 HG22 VAL 77 4.316 0.117 12.988 599 HG23 VAL 77 HG23 VAL 77 4.102 -0.260 11.262 600 H GLY 78 H GLY 78 3.005 -1.681 10.328 601 HA2 GLY 78 HA2 GLY 78 1.262 -3.628 11.198 602 HA3 GLY 78 HA3 GLY 78 0.997 -2.561 9.833 603 H MET 79 H MET 79 2.986 -3.373 8.011 604 HA MET 79 HA MET 79 1.765 -5.631 6.938 605 HB2 MET 79 HB2 MET 79 3.070 -3.735 5.752 606 HB3 MET 79 HB3 MET 79 4.546 -4.515 6.286 607 HG2 MET 79 HG2 MET 79 2.474 -6.145 4.789 608 HG3 MET 79 HG3 MET 79 3.532 -5.075 3.891 609 HE1 MET 79 HE1 MET 79 4.823 -8.132 2.913 610 HE2 MET 79 HE2 MET 79 4.081 -9.038 4.254 611 HE3 MET 79 HE3 MET 79 3.153 -7.773 3.414 612 H GLY 80 H GLY 80 4.981 -5.150 8.549 613 HA2 GLY 80 HA2 GLY 80 6.060 -7.649 8.266 614 HA3 GLY 80 HA3 GLY 80 6.301 -6.602 9.650 615 H TYR 81 H TYR 81 3.570 -6.521 10.629 616 HA TYR 81 HA TYR 81 3.529 -9.125 11.892 617 HB2 TYR 81 HB2 TYR 81 2.879 -6.363 12.442 618 HB3 TYR 81 HB3 TYR 81 1.353 -7.222 12.492 619 HD1 TYR 81 HD1 TYR 81 4.829 -7.357 13.873 620 HD2 TYR 81 HD2 TYR 81 0.707 -8.349 14.442 621 HE1 TYR 81 HE1 TYR 81 5.335 -8.132 16.242 622 HE2 TYR 81 HE2 TYR 81 1.226 -9.120 16.808 623 HH TYR 81 HH TYR 81 3.978 -8.318 18.400 624 H SER 82 H SER 82 1.948 -7.444 9.270 625 HA SER 82 HA SER 82 0.056 -7.782 8.195 626 HB2 SER 82 HB2 SER 82 1.727 -10.144 8.131 627 HB3 SER 82 HB3 SER 82 0.052 -10.644 8.015 628 HG SER 82 HG SER 82 1.357 -8.671 6.340 629 H MET 83 H MET 83 -1.560 -7.143 9.741 630 HA MET 83 HA MET 83 -3.341 -7.391 10.961 631 HB2 MET 83 HB2 MET 83 -3.488 -9.454 9.125 632 HB3 MET 83 HB3 MET 83 -3.553 -10.371 10.617 633 HG2 MET 83 HG2 MET 83 -5.693 -9.709 11.040 634 HG3 MET 83 HG3 MET 83 -5.302 -8.021 10.776 635 HE1 MET 83 HE1 MET 83 -6.342 -7.224 7.298 636 HE2 MET 83 HE2 MET 83 -6.519 -6.758 9.007 637 HE3 MET 83 HE3 MET 83 -4.899 -7.029 8.321 638 H TYR 84 H TYR 84 -3.161 -7.173 13.146 639 HA TYR 84 HA TYR 84 -1.292 -8.246 14.749 640 HB2 TYR 84 HB2 TYR 84 -4.063 -7.141 14.920 641 HB3 TYR 84 HB3 TYR 84 -3.679 -8.163 16.291 642 HD1 TYR 84 HD1 TYR 84 -1.988 -5.452 14.304 643 HD2 TYR 84 HD2 TYR 84 -2.858 -7.081 18.163 644 HE1 TYR 84 HE1 TYR 84 -0.752 -3.523 15.405 645 HE2 TYR 84 HE2 TYR 84 -1.618 -5.146 19.251 646 HH TYR 84 HH TYR 84 0.051 -3.563 18.734 647 H ARG 85 H ARG 85 -4.562 -9.678 14.097 648 HA ARG 85 HA ARG 85 -3.752 -11.998 15.589 649 HB2 ARG 85 HB2 ARG 85 -6.362 -11.114 14.286 650 HB3 ARG 85 HB3 ARG 85 -6.172 -12.741 14.909 651 HG2 ARG 85 HG2 ARG 85 -5.989 -12.019 17.146 652 HG3 ARG 85 HG3 ARG 85 -5.426 -10.421 16.697 653 HD2 ARG 85 HD2 ARG 85 -7.956 -10.501 15.522 654 HD3 ARG 85 HD3 ARG 85 -8.203 -11.426 16.989 655 HE ARG 85 HE ARG 85 -8.029 -9.445 18.204 656 HH11 ARG 85 HH22 ARG 85 -6.383 -8.985 15.100 657 HH12 ARG 85 HH21 ARG 85 -6.045 -7.310 15.387 658 HH21 ARG 85 HH12 ARG 85 -7.584 -7.270 18.564 659 HH22 ARG 85 HH11 ARG 85 -6.737 -6.333 17.376 660 H GLU 86 H GLU 86 -2.041 -12.686 14.056 661 HA GLU 86 HA GLU 86 -2.965 -14.584 12.265 662 HB2 GLU 86 HB2 GLU 86 -3.412 -12.362 10.981 663 HB3 GLU 86 HB3 GLU 86 -1.672 -12.258 10.800 664 HG2 GLU 86 HG2 GLU 86 -1.736 -14.633 9.822 665 HG3 GLU 86 HG3 GLU 86 -3.484 -14.506 9.813 666 H PHE 87 H PHE 87 -1.376 -16.123 12.263 667 HA PHE 87 HA PHE 87 1.257 -15.282 13.157 668 HB2 PHE 87 HB2 PHE 87 -0.359 -17.855 12.863 669 HB3 PHE 87 HB3 PHE 87 1.382 -17.977 13.024 670 HD1 PHE 87 HD1 PHE 87 2.246 -16.258 15.026 671 HD2 PHE 87 HD2 PHE 87 -1.495 -18.249 14.816 672 HE1 PHE 87 HE1 PHE 87 2.027 -16.108 17.522 673 HE2 PHE 87 HE2 PHE 87 -1.715 -18.099 17.312 674 HZ PHE 87 HZ PHE 87 0.048 -17.030 18.635 675 H TRP 88 H TRP 88 2.428 -14.464 11.429 676 HA TRP 88 HA TRP 88 3.188 -16.379 9.424 677 HB2 TRP 88 HB2 TRP 88 1.036 -14.722 8.816 678 HB3 TRP 88 HB3 TRP 88 2.409 -13.920 8.079 679 HD1 TRP 88 HD1 TRP 88 3.939 -16.796 7.334 680 HE1 TRP 88 HE1 TRP 88 3.137 -18.201 5.248 681 HE3 TRP 88 HE3 TRP 88 -0.691 -14.714 7.050 682 HZ2 TRP 88 HZ2 TRP 88 0.711 -18.282 3.748 683 HZ3 TRP 88 HZ3 TRP 88 -2.215 -15.512 5.246 684 HH2 TRP 88 HH2 TRP 88 -1.579 -17.233 3.630 685 H ALA 89 H ALA 89 5.061 -15.924 10.967 686 HA ALA 89 HA ALA 89 6.738 -13.940 9.770 687 HB1 ALA 89 HB1 ALA 89 6.108 -13.641 12.727 688 HB2 ALA 89 HB2 ALA 89 7.091 -12.568 11.703 689 HB3 ALA 89 HB3 ALA 89 5.330 -12.659 11.462 690 H LYS 90 H LYS 90 8.956 -14.372 10.193 691 HA LYS 90 HA LYS 90 9.500 -16.552 12.048 692 HB2 LYS 90 HB2 LYS 90 10.654 -17.882 10.442 693 HB3 LYS 90 HB3 LYS 90 9.058 -17.553 9.799 694 HG2 LYS 90 HG2 LYS 90 10.136 -15.543 8.559 695 HG3 LYS 90 HG3 LYS 90 11.685 -16.232 9.003 696 HD2 LYS 90 HD2 LYS 90 11.509 -17.945 7.485 697 HD3 LYS 90 HD3 LYS 90 9.811 -18.210 7.826 698 HE2 LYS 90 HE2 LYS 90 9.095 -16.637 6.245 699 HE3 LYS 90 HE3 LYS 90 10.550 -15.671 6.382 700 HZ1 LYS 90 HZ1 LYS 90 10.109 -17.370 4.366 701 HZ2 LYS 90 HZ2 LYS 90 11.609 -16.949 4.841 702 HZ3 LYS 90 HZ3 LYS 90 10.937 -18.333 5.398 703 HA PRO 91 HA PRO 91 12.984 -14.134 12.838 704 HB2 PRO 91 HB2 PRO 91 14.738 -15.964 13.860 705 HB3 PRO 91 HB3 PRO 91 13.429 -15.266 14.793 706 HG2 PRO 91 HG2 PRO 91 13.633 -17.973 13.623 707 HG3 PRO 91 HG3 PRO 91 12.563 -17.402 14.888 708 HD2 PRO 91 HD2 PRO 91 11.874 -17.889 12.147 709 HD3 PRO 91 HD3 PRO 91 10.835 -17.209 13.384 710 H LYS 92 H LYS 92 13.182 -13.596 10.541 711 HA LYS 92 HA LYS 92 15.844 -14.035 9.759 712 HB2 LYS 92 HB2 LYS 92 13.893 -16.017 8.843 713 HB3 LYS 92 HB3 LYS 92 14.703 -15.213 7.514 714 HG2 LYS 92 HG2 LYS 92 16.704 -16.215 7.971 715 HG3 LYS 92 HG3 LYS 92 16.572 -15.902 9.691 716 HD2 LYS 92 HD2 LYS 92 15.313 -17.885 10.089 717 HD3 LYS 92 HD3 LYS 92 14.844 -18.041 8.408 718 HE2 LYS 92 HE2 LYS 92 16.801 -19.102 7.816 719 HE3 LYS 92 HE3 LYS 92 17.787 -18.090 8.852 720 HZ1 LYS 92 HZ1 LYS 92 16.338 -20.544 9.562 721 HZ2 LYS 92 HZ2 LYS 92 17.855 -20.105 9.960 722 HZ3 LYS 92 HZ3 LYS 92 16.581 -19.389 10.696 723 HA PRO 93 HA PRO 93 13.918 -10.389 8.080 724 HB2 PRO 93 HB2 PRO 93 15.991 -8.683 8.590 725 HB3 PRO 93 HB3 PRO 93 14.671 -8.949 9.711 726 HG2 PRO 93 HG2 PRO 93 17.448 -9.952 9.847 727 HG3 PRO 93 HG3 PRO 93 16.257 -9.842 11.127 728 HD2 PRO 93 HD2 PRO 93 17.049 -12.212 9.718 729 HD3 PRO 93 HD3 PRO 93 15.777 -12.081 10.916 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -16.534 -14.113 4.184 2 HA MET 1 HA MET 1 -17.376 -13.439 6.196 3 HB2 MET 1 HB2 MET 1 -17.929 -16.390 6.406 4 HB3 MET 1 HB3 MET 1 -17.611 -15.577 7.925 5 HG2 MET 1 HG2 MET 1 -19.436 -13.985 6.272 6 HG3 MET 1 HG3 MET 1 -20.060 -15.608 6.489 7 HE1 MET 1 HE1 MET 1 -18.328 -12.678 8.197 8 HE2 MET 1 HE2 MET 1 -20.019 -12.129 8.101 9 HE3 MET 1 HE3 MET 1 -19.272 -12.439 9.687 10 H SER 2 H SER 2 -16.148 -12.981 8.140 11 HA SER 2 HA SER 2 -14.345 -12.795 9.332 12 HB2 SER 2 HB2 SER 2 -14.481 -15.687 8.801 13 HB3 SER 2 HB3 SER 2 -12.837 -15.153 9.089 14 HG SER 2 HG SER 2 -13.526 -15.478 11.138 15 H THR 3 H THR 3 -12.735 -11.426 8.668 16 HA THR 3 HA THR 3 -11.015 -10.591 7.532 17 HB THR 3 HB THR 3 -10.597 -13.498 6.656 18 HG1 THR 3 HG1 THR 3 -9.713 -11.776 8.863 19 HG21 THR 3 HG21 THR 3 -8.144 -12.699 6.737 20 HG22 THR 3 HG22 THR 3 -9.096 -12.096 5.358 21 HG23 THR 3 HG23 THR 3 -8.784 -11.038 6.755 22 H ASP 4 H ASP 4 -12.140 -13.175 5.248 23 HA ASP 4 HA ASP 4 -12.935 -13.060 3.235 24 HB2 ASP 4 HB2 ASP 4 -14.547 -11.384 4.403 25 HB3 ASP 4 HB3 ASP 4 -13.593 -10.116 3.659 26 H THR 5 H THR 5 -12.262 -12.370 1.042 27 HA THR 5 HA THR 5 -9.916 -10.587 1.092 28 HB THR 5 HB THR 5 -9.297 -12.912 0.612 29 HG1 THR 5 HG1 THR 5 -8.327 -12.342 -1.383 30 HG21 THR 5 HG21 THR 5 -11.436 -13.857 -0.170 31 HG22 THR 5 HG22 THR 5 -11.471 -12.719 -1.538 32 HG23 THR 5 HG23 THR 5 -10.239 -14.002 -1.479 33 H GLY 6 H GLY 6 -13.094 -11.249 -0.252 34 HA2 GLY 6 HA2 GLY 6 -14.418 -9.919 -1.506 35 HA3 GLY 6 HA3 GLY 6 -13.205 -8.657 -1.425 36 H VAL 7 H VAL 7 -13.306 -12.023 -2.814 37 HA VAL 7 HA VAL 7 -11.577 -11.616 -4.872 38 HB VAL 7 HB VAL 7 -12.490 -13.767 -4.187 39 HG11 VAL 7 HG11 VAL 7 -14.679 -14.412 -4.341 40 HG12 VAL 7 HG12 VAL 7 -14.923 -12.662 -4.124 41 HG13 VAL 7 HG13 VAL 7 -15.004 -13.377 -5.752 42 HG21 VAL 7 HG21 VAL 7 -12.460 -14.793 -6.296 43 HG22 VAL 7 HG22 VAL 7 -13.245 -13.407 -7.089 44 HG23 VAL 7 HG23 VAL 7 -11.555 -13.281 -6.545 45 H SER 8 H SER 8 -15.070 -10.780 -4.679 46 HA SER 8 HA SER 8 -15.501 -10.188 -7.294 47 HB2 SER 8 HB2 SER 8 -16.977 -10.028 -5.023 48 HB3 SER 8 HB3 SER 8 -16.659 -8.320 -5.252 49 HG SER 8 HG SER 8 -18.531 -9.765 -6.466 50 H LEU 9 H LEU 9 -14.498 -7.867 -4.667 51 HA LEU 9 HA LEU 9 -13.358 -5.979 -4.725 52 HB2 LEU 9 HB2 LEU 9 -11.950 -7.703 -6.322 53 HB3 LEU 9 HB3 LEU 9 -12.157 -6.324 -7.383 54 HG LEU 9 HG LEU 9 -11.346 -5.365 -4.802 55 HD11 LEU 9 HD11 LEU 9 -9.148 -7.077 -5.827 56 HD12 LEU 9 HD12 LEU 9 -9.547 -6.580 -4.165 57 HD13 LEU 9 HD13 LEU 9 -10.457 -7.897 -4.943 58 HD21 LEU 9 HD21 LEU 9 -9.235 -4.858 -6.377 59 HD22 LEU 9 HD22 LEU 9 -10.441 -5.241 -7.629 60 HD23 LEU 9 HD23 LEU 9 -10.757 -3.938 -6.459 61 HA PRO 10 HA PRO 10 -15.904 -3.292 -6.953 62 HB2 PRO 10 HB2 PRO 10 -14.761 -0.894 -6.312 63 HB3 PRO 10 HB3 PRO 10 -15.867 -1.743 -5.250 64 HG2 PRO 10 HG2 PRO 10 -12.930 -1.482 -5.041 65 HG3 PRO 10 HG3 PRO 10 -14.082 -1.943 -3.804 66 HD2 PRO 10 HD2 PRO 10 -12.331 -3.691 -5.255 67 HD3 PRO 10 HD3 PRO 10 -13.563 -4.163 -4.102 68 H SER 11 H SER 11 -12.462 -2.615 -7.306 69 HA SER 11 HA SER 11 -12.685 -1.220 -9.647 70 HB2 SER 11 HB2 SER 11 -10.621 -2.117 -8.014 71 HB3 SER 11 HB3 SER 11 -10.322 -3.002 -9.497 72 HG SER 11 HG SER 11 -9.966 -0.305 -8.949 73 H TYR 12 H TYR 12 -11.893 -2.004 -11.891 74 HA TYR 12 HA TYR 12 -12.694 -4.782 -12.376 75 HB2 TYR 12 HB2 TYR 12 -14.454 -2.832 -12.806 76 HB3 TYR 12 HB3 TYR 12 -13.402 -2.360 -14.126 77 HD1 TYR 12 HD1 TYR 12 -15.693 -4.977 -12.888 78 HD2 TYR 12 HD2 TYR 12 -13.292 -3.654 -16.172 79 HE1 TYR 12 HE1 TYR 12 -16.846 -6.652 -14.414 80 HE2 TYR 12 HE2 TYR 12 -14.452 -5.334 -17.688 81 HH TYR 12 HH TYR 12 -16.295 -7.858 -16.501 82 H GLU 13 H GLU 13 -10.966 -5.788 -13.270 83 HA GLU 13 HA GLU 13 -9.855 -4.869 -15.632 84 HB2 GLU 13 HB2 GLU 13 -7.561 -4.295 -14.903 85 HB3 GLU 13 HB3 GLU 13 -8.735 -3.176 -14.237 86 HG2 GLU 13 HG2 GLU 13 -8.689 -5.089 -12.254 87 HG3 GLU 13 HG3 GLU 13 -7.043 -5.204 -12.843 88 H GLU 14 H GLU 14 -9.079 -6.675 -16.673 89 HA GLU 14 HA GLU 14 -8.453 -8.723 -17.023 90 HB2 GLU 14 HB2 GLU 14 -6.971 -8.123 -14.469 91 HB3 GLU 14 HB3 GLU 14 -6.961 -9.774 -15.057 92 HG2 GLU 14 HG2 GLU 14 -5.249 -9.149 -16.417 93 HG3 GLU 14 HG3 GLU 14 -6.447 -8.306 -17.378 94 H ASP 15 H ASP 15 -9.738 -10.523 -17.043 95 HA ASP 15 HA ASP 15 -11.525 -10.846 -14.821 96 HB2 ASP 15 HB2 ASP 15 -11.438 -11.581 -17.667 97 HB3 ASP 15 HB3 ASP 15 -11.938 -12.940 -16.680 98 H GLN 16 H GLN 16 -9.917 -11.650 -13.232 99 HA GLN 16 HA GLN 16 -9.804 -14.347 -13.000 100 HB2 GLN 16 HB2 GLN 16 -7.995 -13.613 -15.001 101 HB3 GLN 16 HB3 GLN 16 -6.972 -13.755 -13.585 102 HG2 GLN 16 HG2 GLN 16 -7.276 -16.033 -13.419 103 HG3 GLN 16 HG3 GLN 16 -8.966 -15.949 -13.875 104 HE21 GLN 16 HE21 GLN 16 -9.493 -16.752 -15.752 105 HE22 GLN 16 HE22 GLN 16 -8.469 -16.959 -17.133 106 H GLY 17 H GLY 17 -10.471 -12.791 -11.088 107 HA2 GLY 17 HA2 GLY 17 -8.882 -11.244 -9.588 108 HA3 GLY 17 HA3 GLY 17 -10.007 -12.399 -8.902 109 H SER 18 H SER 18 -9.039 -14.860 -9.159 110 HA SER 18 HA SER 18 -7.152 -15.130 -7.295 111 HB2 SER 18 HB2 SER 18 -8.515 -16.826 -9.062 112 HB3 SER 18 HB3 SER 18 -6.830 -17.156 -9.414 113 HG SER 18 HG SER 18 -7.728 -18.498 -7.680 114 H LYS 19 H LYS 19 -6.621 -14.873 -10.870 115 HA LYS 19 HA LYS 19 -3.879 -15.256 -10.850 116 HB2 LYS 19 HB2 LYS 19 -5.659 -15.049 -12.783 117 HB3 LYS 19 HB3 LYS 19 -5.185 -13.363 -12.780 118 HG2 LYS 19 HG2 LYS 19 -3.467 -14.010 -14.131 119 HG3 LYS 19 HG3 LYS 19 -2.717 -14.629 -12.673 120 HD2 LYS 19 HD2 LYS 19 -4.570 -16.636 -13.483 121 HD3 LYS 19 HD3 LYS 19 -3.787 -16.103 -14.957 122 HE2 LYS 19 HE2 LYS 19 -1.894 -16.451 -12.702 123 HE3 LYS 19 HE3 LYS 19 -2.731 -17.931 -13.128 124 HZ1 LYS 19 HZ1 LYS 19 -2.074 -17.077 -15.553 125 HZ2 LYS 19 HZ2 LYS 19 -0.851 -16.383 -14.732 126 HZ3 LYS 19 HZ3 LYS 19 -1.095 -17.997 -14.619 127 H LEU 20 H LEU 20 -5.845 -12.254 -10.427 128 HA LEU 20 HA LEU 20 -3.641 -10.530 -10.296 129 HB2 LEU 20 HB2 LEU 20 -6.501 -10.373 -9.386 130 HB3 LEU 20 HB3 LEU 20 -5.369 -9.079 -9.045 131 HG LEU 20 HG LEU 20 -5.229 -9.791 -11.845 132 HD11 LEU 20 HD11 LEU 20 -7.735 -10.345 -10.953 133 HD12 LEU 20 HD12 LEU 20 -7.899 -8.623 -11.372 134 HD13 LEU 20 HD13 LEU 20 -7.347 -9.788 -12.599 135 HD21 LEU 20 HD21 LEU 20 -4.507 -7.681 -11.585 136 HD22 LEU 20 HD22 LEU 20 -6.229 -7.260 -11.749 137 HD23 LEU 20 HD23 LEU 20 -5.499 -7.406 -10.132 138 H ILE 21 H ILE 21 -5.019 -12.839 -8.038 139 HA ILE 21 HA ILE 21 -3.721 -11.593 -5.774 140 HB ILE 21 HB ILE 21 -5.395 -14.080 -6.105 141 HG12 ILE 21 HG12 ILE 21 -6.124 -11.674 -4.463 142 HG13 ILE 21 HG13 ILE 21 -6.326 -11.618 -6.203 143 HG21 ILE 21 HG21 ILE 21 -3.710 -13.165 -3.841 144 HG22 ILE 21 HG22 ILE 21 -5.358 -13.706 -3.441 145 HG23 ILE 21 HG23 ILE 21 -4.246 -14.800 -4.297 146 HD11 ILE 21 HD11 ILE 21 -7.333 -14.104 -4.891 147 HD12 ILE 21 HD12 ILE 21 -8.215 -12.608 -4.500 148 HD13 ILE 21 HD13 ILE 21 -8.057 -13.131 -6.194 149 H ARG 22 H ARG 22 -3.020 -13.867 -8.312 150 HA ARG 22 HA ARG 22 -1.166 -15.389 -6.853 151 HB2 ARG 22 HB2 ARG 22 -1.999 -15.084 -9.714 152 HB3 ARG 22 HB3 ARG 22 -0.369 -15.683 -9.475 153 HG2 ARG 22 HG2 ARG 22 -1.404 -17.381 -7.804 154 HG3 ARG 22 HG3 ARG 22 -2.963 -16.902 -8.444 155 HD2 ARG 22 HD2 ARG 22 -2.583 -18.570 -9.976 156 HD3 ARG 22 HD3 ARG 22 -1.615 -17.358 -10.792 157 HE ARG 22 HE ARG 22 -0.161 -18.863 -8.725 158 HH11 ARG 22 HH22 ARG 22 -1.046 -18.716 -12.153 159 HH12 ARG 22 HH21 ARG 22 0.271 -19.718 -12.663 160 HH21 ARG 22 HH12 ARG 22 1.546 -20.164 -9.401 161 HH22 ARG 22 HH11 ARG 22 1.754 -20.546 -11.080 162 H LYS 23 H LYS 23 -0.735 -12.939 -9.524 163 HA LYS 23 HA LYS 23 0.969 -11.634 -10.060 164 HB2 LYS 23 HB2 LYS 23 0.215 -11.047 -7.433 165 HB3 LYS 23 HB3 LYS 23 1.965 -11.092 -7.375 166 HG2 LYS 23 HG2 LYS 23 1.377 -8.836 -7.972 167 HG3 LYS 23 HG3 LYS 23 1.993 -9.579 -9.434 168 HD2 LYS 23 HD2 LYS 23 -0.881 -10.056 -9.203 169 HD3 LYS 23 HD3 LYS 23 -0.544 -8.342 -9.067 170 HE2 LYS 23 HE2 LYS 23 0.897 -8.546 -11.173 171 HE3 LYS 23 HE3 LYS 23 0.318 -10.192 -11.338 172 HZ1 LYS 23 HZ1 LYS 23 -1.927 -9.375 -11.551 173 HZ2 LYS 23 HZ2 LYS 23 -1.497 -7.845 -11.196 174 HZ3 LYS 23 HZ3 LYS 23 -0.960 -8.543 -12.576 175 H ALA 24 H ALA 24 3.536 -11.165 -9.005 176 HA ALA 24 HA ALA 24 4.785 -13.649 -9.757 177 HB1 ALA 24 HB1 ALA 24 6.718 -12.346 -10.057 178 HB2 ALA 24 HB2 ALA 24 5.404 -11.214 -10.457 179 HB3 ALA 24 HB3 ALA 24 6.199 -11.128 -8.867 180 H LYS 25 H LYS 25 6.147 -14.927 -8.442 181 HA LYS 25 HA LYS 25 6.623 -15.989 -6.555 182 HB2 LYS 25 HB2 LYS 25 7.658 -13.296 -6.379 183 HB3 LYS 25 HB3 LYS 25 7.281 -13.893 -4.776 184 HG2 LYS 25 HG2 LYS 25 9.468 -14.699 -5.087 185 HG3 LYS 25 HG3 LYS 25 8.506 -16.091 -5.541 186 HD2 LYS 25 HD2 LYS 25 8.719 -14.598 -7.928 187 HD3 LYS 25 HD3 LYS 25 10.304 -14.454 -7.194 188 HE2 LYS 25 HE2 LYS 25 9.684 -17.164 -6.820 189 HE3 LYS 25 HE3 LYS 25 9.003 -16.821 -8.397 190 HZ1 LYS 25 HZ1 LYS 25 11.260 -15.741 -8.882 191 HZ2 LYS 25 HZ2 LYS 25 11.818 -16.501 -7.554 192 HZ3 LYS 25 HZ3 LYS 25 11.183 -17.372 -8.786 193 H GLU 26 H GLU 26 6.306 -15.509 -3.830 194 HA GLU 26 HA GLU 26 3.409 -15.523 -3.706 195 HB2 GLU 26 HB2 GLU 26 5.533 -17.043 -2.426 196 HB3 GLU 26 HB3 GLU 26 4.523 -16.301 -1.201 197 HG2 GLU 26 HG2 GLU 26 2.503 -17.189 -2.624 198 HG3 GLU 26 HG3 GLU 26 3.689 -18.211 -3.413 199 H ALA 27 H ALA 27 2.753 -13.380 -3.495 200 HA ALA 27 HA ALA 27 2.727 -11.272 -2.732 201 HB1 ALA 27 HB1 ALA 27 2.913 -12.024 0.089 202 HB2 ALA 27 HB2 ALA 27 1.521 -11.407 -0.833 203 HB3 ALA 27 HB3 ALA 27 1.888 -13.149 -0.833 204 HA PRO 28 HA PRO 28 7.187 -11.047 -1.796 205 HB2 PRO 28 HB2 PRO 28 8.044 -9.907 -4.128 206 HB3 PRO 28 HB3 PRO 28 8.102 -11.632 -3.827 207 HG2 PRO 28 HG2 PRO 28 6.230 -10.111 -5.536 208 HG3 PRO 28 HG3 PRO 28 6.580 -11.828 -5.548 209 HD2 PRO 28 HD2 PRO 28 4.259 -10.558 -4.441 210 HD3 PRO 28 HD3 PRO 28 4.664 -12.260 -4.352 211 H PHE 29 H PHE 29 8.417 -9.293 -1.044 212 HA PHE 29 HA PHE 29 6.729 -6.941 -0.827 213 HB2 PHE 29 HB2 PHE 29 7.980 -8.177 1.096 214 HB3 PHE 29 HB3 PHE 29 9.477 -7.619 0.375 215 HD1 PHE 29 HD2 PHE 29 9.899 -5.132 0.228 216 HD2 PHE 29 HD1 PHE 29 6.714 -6.768 2.505 217 HE1 PHE 29 HE2 PHE 29 9.722 -2.988 1.521 218 HE2 PHE 29 HE1 PHE 29 6.537 -4.624 3.798 219 HZ PHE 29 HZ PHE 29 8.044 -2.760 3.291 220 H VAL 30 H VAL 30 9.575 -8.123 -2.519 221 HA VAL 30 HA VAL 30 11.027 -5.844 -2.913 222 HB VAL 30 HB VAL 30 10.601 -8.411 -4.257 223 HG11 VAL 30 HG11 VAL 30 10.233 -7.285 -6.271 224 HG12 VAL 30 HG12 VAL 30 11.352 -5.965 -5.855 225 HG13 VAL 30 HG13 VAL 30 11.989 -7.572 -6.280 226 HG21 VAL 30 HG21 VAL 30 13.263 -7.393 -4.501 227 HG22 VAL 30 HG22 VAL 30 12.654 -6.987 -2.878 228 HG23 VAL 30 HG23 VAL 30 12.653 -8.679 -3.432 229 HA PRO 31 HA PRO 31 8.021 -4.700 -6.383 230 HB2 PRO 31 HB2 PRO 31 5.653 -6.039 -6.642 231 HB3 PRO 31 HB3 PRO 31 7.082 -6.431 -7.576 232 HG2 PRO 31 HG2 PRO 31 5.913 -7.881 -5.280 233 HG3 PRO 31 HG3 PRO 31 7.058 -8.458 -6.475 234 HD2 PRO 31 HD2 PRO 31 7.640 -7.679 -3.777 235 HD3 PRO 31 HD3 PRO 31 8.799 -8.145 -5.006 236 H VAL 32 H VAL 32 6.979 -5.477 -3.245 237 HA VAL 32 HA VAL 32 4.776 -3.663 -3.254 238 HB VAL 32 HB VAL 32 6.312 -5.024 -1.033 239 HG11 VAL 32 HG11 VAL 32 3.734 -3.428 -0.977 240 HG12 VAL 32 HG12 VAL 32 4.246 -4.527 0.326 241 HG13 VAL 32 HG13 VAL 32 5.239 -3.107 -0.082 242 HG21 VAL 32 HG21 VAL 32 4.770 -6.754 -1.107 243 HG22 VAL 32 HG22 VAL 32 3.541 -5.768 -1.935 244 HG23 VAL 32 HG23 VAL 32 4.957 -6.363 -2.833 245 H GLY 33 H GLY 33 8.255 -3.576 -2.382 246 HA2 GLY 33 HA2 GLY 33 8.109 -0.969 -1.193 247 HA3 GLY 33 HA3 GLY 33 9.546 -1.887 -1.595 248 H ILE 34 H ILE 34 9.308 -2.334 -4.343 249 HA ILE 34 HA ILE 34 10.117 0.149 -5.361 250 HB ILE 34 HB ILE 34 9.401 -2.462 -6.693 251 HG12 ILE 34 HG12 ILE 34 11.375 -2.240 -5.022 252 HG13 ILE 34 HG13 ILE 34 11.633 -3.040 -6.559 253 HG21 ILE 34 HG21 ILE 34 10.994 -1.306 -8.497 254 HG22 ILE 34 HG22 ILE 34 9.222 -1.136 -8.527 255 HG23 ILE 34 HG23 ILE 34 10.229 0.159 -7.835 256 HD11 ILE 34 HD11 ILE 34 13.378 -1.262 -5.816 257 HD12 ILE 34 HD12 ILE 34 12.779 -1.173 -7.490 258 HD13 ILE 34 HD13 ILE 34 12.141 -0.060 -6.256 259 H ALA 35 H ALA 35 7.158 -1.848 -6.057 260 HA ALA 35 HA ALA 35 5.936 0.139 -7.604 261 HB1 ALA 35 HB1 ALA 35 4.427 -1.930 -5.999 262 HB2 ALA 35 HB2 ALA 35 4.104 -1.327 -7.642 263 HB3 ALA 35 HB3 ALA 35 5.476 -2.422 -7.350 264 H GLY 36 H GLY 36 5.376 -0.875 -4.155 265 HA2 GLY 36 HA2 GLY 36 3.467 0.843 -3.365 266 HA3 GLY 36 HA3 GLY 36 4.833 0.397 -2.362 267 H PHE 37 H PHE 37 7.006 1.630 -3.632 268 HA PHE 37 HA PHE 37 6.711 4.267 -2.733 269 HB2 PHE 37 HB2 PHE 37 8.798 2.709 -2.996 270 HB3 PHE 37 HB3 PHE 37 8.757 3.096 -4.705 271 HD1 PHE 37 HD1 PHE 37 8.591 4.997 -1.484 272 HD2 PHE 37 HD2 PHE 37 10.270 4.687 -5.369 273 HE1 PHE 37 HE1 PHE 37 9.969 7.050 -1.053 274 HE2 PHE 37 HE2 PHE 37 11.648 6.741 -4.938 275 HZ PHE 37 HZ PHE 37 11.481 7.898 -2.785 276 H ALA 38 H ALA 38 6.745 2.780 -6.027 277 HA ALA 38 HA ALA 38 6.763 5.157 -7.467 278 HB1 ALA 38 HB1 ALA 38 5.206 2.828 -8.504 279 HB2 ALA 38 HB2 ALA 38 6.503 3.772 -9.275 280 HB3 ALA 38 HB3 ALA 38 6.905 2.527 -8.068 281 H ALA 39 H ALA 39 3.931 3.029 -6.622 282 HA ALA 39 HA ALA 39 1.995 4.781 -7.540 283 HB1 ALA 39 HB1 ALA 39 1.735 2.352 -6.921 284 HB2 ALA 39 HB2 ALA 39 1.777 2.838 -5.209 285 HB3 ALA 39 HB3 ALA 39 0.462 3.408 -6.264 286 H ILE 40 H ILE 40 3.093 4.253 -4.109 287 HA ILE 40 HA ILE 40 1.669 6.159 -2.870 288 HB ILE 40 HB ILE 40 4.512 5.263 -2.471 289 HG12 ILE 40 HG12 ILE 40 2.464 3.731 -2.159 290 HG13 ILE 40 HG13 ILE 40 3.667 3.791 -0.886 291 HG21 ILE 40 HG21 ILE 40 4.203 7.591 -1.602 292 HG22 ILE 40 HG22 ILE 40 2.929 6.962 -0.530 293 HG23 ILE 40 HG23 ILE 40 4.602 6.379 -0.361 294 HD11 ILE 40 HD11 ILE 40 1.357 5.729 -0.754 295 HD12 ILE 40 HD12 ILE 40 1.076 4.027 -0.317 296 HD13 ILE 40 HD13 ILE 40 2.285 4.986 0.571 297 H VAL 41 H VAL 41 4.762 6.686 -4.681 298 HA VAL 41 HA VAL 41 4.993 9.389 -4.183 299 HB VAL 41 HB VAL 41 5.846 7.564 -6.408 300 HG11 VAL 41 HG11 VAL 41 6.000 9.314 -7.807 301 HG12 VAL 41 HG12 VAL 41 5.721 10.495 -6.504 302 HG13 VAL 41 HG13 VAL 41 7.355 9.848 -6.784 303 HG21 VAL 41 HG21 VAL 41 6.878 7.638 -4.040 304 HG22 VAL 41 HG22 VAL 41 7.976 7.690 -5.440 305 HG23 VAL 41 HG23 VAL 41 7.591 9.186 -4.554 306 H ALA 42 H ALA 42 3.253 7.667 -6.857 307 HA ALA 42 HA ALA 42 2.386 9.949 -8.178 308 HB1 ALA 42 HB1 ALA 42 0.897 8.464 -9.316 309 HB2 ALA 42 HB2 ALA 42 2.345 7.507 -8.926 310 HB3 ALA 42 HB3 ALA 42 0.870 7.328 -7.947 311 H TYR 43 H TYR 43 0.556 7.865 -5.818 312 HA TYR 43 HA TYR 43 -1.704 9.320 -5.592 313 HB2 TYR 43 HB2 TYR 43 0.054 7.570 -3.913 314 HB3 TYR 43 HB3 TYR 43 -0.992 8.593 -2.949 315 HD1 TYR 43 HD1 TYR 43 -3.509 8.467 -3.315 316 HD2 TYR 43 HD2 TYR 43 -0.785 5.628 -4.995 317 HE1 TYR 43 HE1 TYR 43 -5.421 6.829 -3.664 318 HE2 TYR 43 HE2 TYR 43 -2.706 3.998 -5.338 319 HH TYR 43 HH TYR 43 -5.880 4.910 -5.241 320 H GLY 44 H GLY 44 1.205 9.777 -3.449 321 HA2 GLY 44 HA2 GLY 44 0.309 11.987 -2.069 322 HA3 GLY 44 HA3 GLY 44 1.987 11.605 -2.400 323 H LEU 45 H LEU 45 1.955 11.791 -5.284 324 HA LEU 45 HA LEU 45 2.464 14.476 -5.624 325 HB2 LEU 45 HB2 LEU 45 2.685 12.129 -7.097 326 HB3 LEU 45 HB3 LEU 45 1.625 13.134 -8.065 327 HG LEU 45 HG LEU 45 4.340 14.006 -7.041 328 HD11 LEU 45 HD11 LEU 45 3.515 12.547 -9.504 329 HD12 LEU 45 HD12 LEU 45 4.746 13.822 -9.666 330 HD13 LEU 45 HD13 LEU 45 5.020 12.455 -8.559 331 HD21 LEU 45 HD21 LEU 45 3.913 15.673 -9.044 332 HD22 LEU 45 HD22 LEU 45 2.208 15.329 -8.665 333 HD23 LEU 45 HD23 LEU 45 3.280 15.998 -7.412 334 H TYR 46 H TYR 46 -0.506 12.580 -6.471 335 HA TYR 46 HA TYR 46 -1.885 14.850 -7.449 336 HB2 TYR 46 HB2 TYR 46 -2.376 11.975 -6.603 337 HB3 TYR 46 HB3 TYR 46 -3.795 12.996 -6.727 338 HD1 TYR 46 HD1 TYR 46 -0.689 12.679 -8.822 339 HD2 TYR 46 HD2 TYR 46 -4.962 12.508 -8.669 340 HE1 TYR 46 HE1 TYR 46 -0.770 12.271 -11.330 341 HE2 TYR 46 HE2 TYR 46 -5.028 12.101 -11.178 342 HH TYR 46 HH TYR 46 -2.012 11.918 -13.054 343 H LYS 47 H LYS 47 -1.746 13.147 -4.272 344 HA LYS 47 HA LYS 47 -3.860 14.422 -3.051 345 HB2 LYS 47 HB2 LYS 47 -1.490 12.893 -2.241 346 HB3 LYS 47 HB3 LYS 47 -1.997 14.059 -1.035 347 HG2 LYS 47 HG2 LYS 47 -4.317 13.161 -1.113 348 HG3 LYS 47 HG3 LYS 47 -3.851 12.026 -2.364 349 HD2 LYS 47 HD2 LYS 47 -2.229 12.007 0.170 350 HD3 LYS 47 HD3 LYS 47 -3.859 11.371 0.265 351 HE2 LYS 47 HE2 LYS 47 -3.097 10.087 -1.987 352 HE3 LYS 47 HE3 LYS 47 -1.503 10.333 -1.302 353 HZ1 LYS 47 HZ1 LYS 47 -2.829 8.241 -0.617 354 HZ2 LYS 47 HZ2 LYS 47 -2.043 9.047 0.559 355 HZ3 LYS 47 HZ3 LYS 47 -3.649 9.273 0.351 356 H LEU 48 H LEU 48 -0.449 15.485 -3.507 357 HA LEU 48 HA LEU 48 -0.292 17.624 -1.904 358 HB2 LEU 48 HB2 LEU 48 1.541 17.007 -3.241 359 HB3 LEU 48 HB3 LEU 48 0.645 17.216 -4.732 360 HG LEU 48 HG LEU 48 0.577 19.746 -3.555 361 HD11 LEU 48 HD11 LEU 48 3.408 18.701 -3.338 362 HD12 LEU 48 HD12 LEU 48 2.794 20.313 -2.899 363 HD13 LEU 48 HD13 LEU 48 2.311 18.887 -1.949 364 HD21 LEU 48 HD21 LEU 48 2.643 19.876 -5.377 365 HD22 LEU 48 HD22 LEU 48 1.738 18.436 -5.900 366 HD23 LEU 48 HD23 LEU 48 0.907 20.002 -5.748 367 H LYS 49 H LYS 49 -1.505 17.919 -5.322 368 HA LYS 49 HA LYS 49 -2.832 20.373 -4.556 369 HB2 LYS 49 HB2 LYS 49 -3.195 20.680 -6.920 370 HB3 LYS 49 HB3 LYS 49 -1.523 20.233 -6.646 371 HG2 LYS 49 HG2 LYS 49 -3.179 17.844 -7.019 372 HG3 LYS 49 HG3 LYS 49 -3.375 18.946 -8.368 373 HD2 LYS 49 HD2 LYS 49 -0.559 18.557 -7.441 374 HD3 LYS 49 HD3 LYS 49 -1.314 17.141 -8.145 375 HE2 LYS 49 HE2 LYS 49 -2.072 19.157 -9.921 376 HE3 LYS 49 HE3 LYS 49 -0.462 19.664 -9.450 377 HZ1 LYS 49 HZ1 LYS 49 -0.897 17.850 -11.346 378 HZ2 LYS 49 HZ2 LYS 49 0.466 17.852 -10.455 379 HZ3 LYS 49 HZ3 LYS 49 -0.776 16.872 -10.040 380 H SER 50 H SER 50 -5.164 20.651 -5.528 381 HA SER 50 HA SER 50 -6.708 18.657 -4.239 382 HB2 SER 50 HB2 SER 50 -7.290 21.254 -5.672 383 HB3 SER 50 HB3 SER 50 -8.615 20.164 -5.316 384 HG SER 50 HG SER 50 -6.745 21.243 -3.381 385 H ARG 51 H ARG 51 -6.262 19.837 -7.639 386 HA ARG 51 HA ARG 51 -6.624 18.919 -9.560 387 HB2 ARG 51 HB2 ARG 51 -6.070 16.591 -7.826 388 HB3 ARG 51 HB3 ARG 51 -7.059 16.157 -9.205 389 HG2 ARG 51 HG2 ARG 51 -5.088 17.864 -10.288 390 HG3 ARG 51 HG3 ARG 51 -4.215 16.899 -9.115 391 HD2 ARG 51 HD2 ARG 51 -4.089 15.452 -10.928 392 HD3 ARG 51 HD3 ARG 51 -5.599 14.887 -10.243 393 HE ARG 51 HE ARG 51 -6.710 15.701 -12.126 394 HH11 ARG 51 HH22 ARG 51 -3.598 17.374 -11.859 395 HH12 ARG 51 HH21 ARG 51 -3.781 18.215 -13.362 396 HH21 ARG 51 HH12 ARG 51 -6.934 16.801 -14.076 397 HH22 ARG 51 HH11 ARG 51 -5.697 17.882 -14.629 398 H GLY 52 H GLY 52 -8.505 16.389 -7.787 399 HA2 GLY 52 HA2 GLY 52 -11.007 17.398 -7.692 400 HA3 GLY 52 HA3 GLY 52 -10.845 16.965 -9.382 401 H ASN 53 H ASN 53 -12.474 15.799 -7.042 402 HA ASN 53 HA ASN 53 -13.278 13.817 -6.620 403 HB2 ASN 53 HB2 ASN 53 -12.305 13.258 -9.035 404 HB3 ASN 53 HB3 ASN 53 -11.070 12.386 -8.147 405 HD21 ASN 53 HD21 ASN 53 -11.462 10.320 -8.082 406 HD22 ASN 53 HD22 ASN 53 -12.993 9.541 -7.858 407 H THR 54 H THR 54 -12.623 13.998 -4.383 408 HA THR 54 HA THR 54 -10.842 12.057 -3.441 409 HB THR 54 HB THR 54 -9.144 13.655 -4.411 410 HG1 THR 54 HG1 THR 54 -7.985 13.206 -2.553 411 HG21 THR 54 HG21 THR 54 -10.134 15.521 -2.195 412 HG22 THR 54 HG22 THR 54 -8.789 15.821 -3.322 413 HG23 THR 54 HG23 THR 54 -10.464 15.789 -3.924 414 H LYS 55 H LYS 55 -11.309 11.589 -1.349 415 HA LYS 55 HA LYS 55 -12.852 13.633 0.089 416 HB2 LYS 55 HB2 LYS 55 -14.160 11.700 1.060 417 HB3 LYS 55 HB3 LYS 55 -14.483 12.082 -0.619 418 HG2 LYS 55 HG2 LYS 55 -12.783 10.275 -1.263 419 HG3 LYS 55 HG3 LYS 55 -12.716 9.824 0.429 420 HD2 LYS 55 HD2 LYS 55 -15.458 10.043 -0.767 421 HD3 LYS 55 HD3 LYS 55 -14.469 8.719 -1.349 422 HE2 LYS 55 HE2 LYS 55 -14.001 8.188 1.160 423 HE3 LYS 55 HE3 LYS 55 -15.321 9.283 1.520 424 HZ1 LYS 55 HZ1 LYS 55 -16.461 7.742 -0.340 425 HZ2 LYS 55 HZ2 LYS 55 -15.434 6.649 0.294 426 HZ3 LYS 55 HZ3 LYS 55 -16.493 7.431 1.265 427 H MET 56 H MET 56 -10.184 13.719 0.406 428 HA MET 56 HA MET 56 -9.933 12.725 3.088 429 HB2 MET 56 HB2 MET 56 -8.655 11.443 0.804 430 HB3 MET 56 HB3 MET 56 -7.406 12.184 1.786 431 HG2 MET 56 HG2 MET 56 -8.276 11.010 3.808 432 HG3 MET 56 HG3 MET 56 -9.565 10.300 2.856 433 HE1 MET 56 HE1 MET 56 -5.250 9.666 3.180 434 HE2 MET 56 HE2 MET 56 -6.496 10.249 4.309 435 HE3 MET 56 HE3 MET 56 -6.172 8.505 4.165 436 H SER 57 H SER 57 -8.402 13.932 4.352 437 HA SER 57 HA SER 57 -7.192 16.145 2.894 438 HB2 SER 57 HB2 SER 57 -9.029 16.187 5.257 439 HB3 SER 57 HB3 SER 57 -7.665 17.286 5.328 440 HG SER 57 HG SER 57 -8.912 17.324 2.836 441 H ILE 58 H ILE 58 -5.130 15.081 2.912 442 HA ILE 58 HA ILE 58 -3.901 15.050 5.565 443 HB ILE 58 HB ILE 58 -4.509 12.765 5.119 444 HG12 ILE 58 HG12 ILE 58 -1.869 12.046 4.667 445 HG13 ILE 58 HG13 ILE 58 -1.728 13.670 5.310 446 HG21 ILE 58 HG21 ILE 58 -2.784 12.647 2.670 447 HG22 ILE 58 HG22 ILE 58 -4.120 11.588 3.181 448 HG23 ILE 58 HG23 ILE 58 -4.467 13.210 2.537 449 HD11 ILE 58 HD11 ILE 58 -3.515 11.588 6.626 450 HD12 ILE 58 HD12 ILE 58 -1.788 11.746 7.028 451 HD13 ILE 58 HD13 ILE 58 -2.898 13.106 7.323 452 H HIS 59 H HIS 59 -3.028 17.125 4.992 453 HA HIS 59 HA HIS 59 -0.552 16.915 3.684 454 HB2 HIS 59 HB2 HIS 59 -1.802 16.927 1.636 455 HB3 HIS 59 HB3 HIS 59 -2.784 18.279 2.165 456 HD1 HIS 59 HD1 HIS 59 -1.724 19.083 -0.325 457 HD2 HIS 59 HD2 HIS 59 0.769 19.187 3.048 458 HE1 HIS 59 HE1 HIS 59 0.200 20.655 -0.906 459 H LEU 60 H LEU 60 -0.650 17.605 6.133 460 HA LEU 60 HA LEU 60 -1.550 19.996 7.013 461 HB2 LEU 60 HB2 LEU 60 0.003 19.830 8.747 462 HB3 LEU 60 HB3 LEU 60 -0.380 18.183 8.284 463 HG LEU 60 HG LEU 60 1.925 18.166 8.649 464 HD11 LEU 60 HD11 LEU 60 1.622 18.582 5.662 465 HD12 LEU 60 HD12 LEU 60 2.947 17.725 6.485 466 HD13 LEU 60 HD13 LEU 60 1.293 17.071 6.544 467 HD21 LEU 60 HD21 LEU 60 1.783 20.930 7.926 468 HD22 LEU 60 HD22 LEU 60 3.095 20.045 8.742 469 HD23 LEU 60 HD23 LEU 60 3.060 20.146 6.965 470 H ILE 61 H ILE 61 -0.294 22.065 7.472 471 HA ILE 61 HA ILE 61 0.277 23.373 5.167 472 HB ILE 61 HB ILE 61 -0.111 24.236 7.533 473 HG12 ILE 61 HG12 ILE 61 1.644 26.215 6.919 474 HG13 ILE 61 HG13 ILE 61 1.559 25.395 5.372 475 HG21 ILE 61 HG21 ILE 61 2.873 24.398 7.768 476 HG22 ILE 61 HG22 ILE 61 1.618 24.516 9.025 477 HG23 ILE 61 HG23 ILE 61 2.023 22.934 8.318 478 HD11 ILE 61 HD11 ILE 61 -0.500 26.996 6.769 479 HD12 ILE 61 HD12 ILE 61 -0.329 26.628 5.036 480 HD13 ILE 61 HD13 ILE 61 -1.114 25.456 6.122 481 H HIS 62 H HIS 62 1.688 22.811 3.595 482 HA HIS 62 HA HIS 62 3.555 22.260 2.587 483 HB2 HIS 62 HB2 HIS 62 4.646 23.483 5.103 484 HB3 HIS 62 HB3 HIS 62 5.746 22.714 3.975 485 HD1 HIS 62 HD1 HIS 62 5.822 23.754 1.491 486 HD2 HIS 62 HD2 HIS 62 3.773 26.014 4.370 487 HE1 HIS 62 HE1 HIS 62 5.572 26.098 0.514 488 H MET 63 H MET 63 5.800 20.859 3.034 489 HA MET 63 HA MET 63 6.508 18.814 3.277 490 HB2 MET 63 HB2 MET 63 5.134 19.235 5.982 491 HB3 MET 63 HB3 MET 63 6.111 17.817 5.655 492 HG2 MET 63 HG2 MET 63 8.005 19.455 4.977 493 HG3 MET 63 HG3 MET 63 7.022 20.727 5.674 494 HE1 MET 63 HE1 MET 63 9.051 17.851 5.835 495 HE2 MET 63 HE2 MET 63 10.052 18.403 7.200 496 HE3 MET 63 HE3 MET 63 8.876 17.087 7.433 497 H ARG 64 H ARG 64 5.561 17.406 1.836 498 HA ARG 64 HA ARG 64 2.969 16.354 2.635 499 HB2 ARG 64 HB2 ARG 64 2.857 15.661 0.134 500 HB3 ARG 64 HB3 ARG 64 2.710 17.371 0.488 501 HG2 ARG 64 HG2 ARG 64 4.718 17.890 -0.503 502 HG3 ARG 64 HG3 ARG 64 5.517 16.463 0.126 503 HD2 ARG 64 HD2 ARG 64 4.354 15.058 -1.598 504 HD3 ARG 64 HD3 ARG 64 3.567 16.490 -2.231 505 HE ARG 64 HE ARG 64 6.214 17.213 -2.329 506 HH11 ARG 64 HH22 ARG 64 4.501 14.328 -3.468 507 HH12 ARG 64 HH21 ARG 64 5.605 14.035 -4.770 508 HH21 ARG 64 HH12 ARG 64 7.640 16.821 -4.024 509 HH22 ARG 64 HH11 ARG 64 7.404 15.468 -5.083 510 H VAL 65 H VAL 65 6.329 15.644 1.721 511 HA VAL 65 HA VAL 65 5.973 12.865 1.323 512 HB VAL 65 HB VAL 65 7.822 14.257 0.429 513 HG11 VAL 65 HG11 VAL 65 9.246 14.064 3.061 514 HG12 VAL 65 HG12 VAL 65 9.484 15.202 1.714 515 HG13 VAL 65 HG13 VAL 65 8.089 15.392 2.803 516 HG21 VAL 65 HG21 VAL 65 8.749 12.253 0.120 517 HG22 VAL 65 HG22 VAL 65 9.559 12.417 1.697 518 HG23 VAL 65 HG23 VAL 65 7.970 11.623 1.591 519 H ALA 66 H ALA 66 6.610 14.980 4.137 520 HA ALA 66 HA ALA 66 7.499 13.155 5.961 521 HB1 ALA 66 HB1 ALA 66 6.809 14.723 7.594 522 HB2 ALA 66 HB2 ALA 66 7.088 15.703 6.135 523 HB3 ALA 66 HB3 ALA 66 5.429 15.270 6.613 524 H ALA 67 H ALA 67 4.035 14.021 5.261 525 HA ALA 67 HA ALA 67 2.874 12.208 6.963 526 HB1 ALA 67 HB1 ALA 67 2.096 13.573 4.401 527 HB2 ALA 67 HB2 ALA 67 1.039 12.290 5.036 528 HB3 ALA 67 HB3 ALA 67 1.393 13.723 6.030 529 H GLN 68 H GLN 68 4.392 11.731 3.770 530 HA GLN 68 HA GLN 68 3.319 9.172 3.371 531 HB2 GLN 68 HB2 GLN 68 5.178 10.983 2.037 532 HB3 GLN 68 HB3 GLN 68 5.797 9.344 1.994 533 HG2 GLN 68 HG2 GLN 68 3.668 8.523 1.034 534 HG3 GLN 68 HG3 GLN 68 2.960 10.121 1.168 535 HE21 GLN 68 HE21 GLN 68 3.142 11.486 -0.454 536 HE22 GLN 68 HE22 GLN 68 4.182 11.328 -1.831 537 H GLY 69 H GLY 69 6.252 10.455 4.983 538 HA2 GLY 69 HA2 GLY 69 7.630 8.018 5.275 539 HA3 GLY 69 HA3 GLY 69 7.835 9.468 6.237 540 H PHE 70 H PHE 70 5.334 9.803 7.455 541 HA PHE 70 HA PHE 70 5.507 7.942 9.538 542 HB2 PHE 70 HB2 PHE 70 4.403 10.439 9.051 543 HB3 PHE 70 HB3 PHE 70 2.955 9.456 8.973 544 HD1 PHE 70 HD1 PHE 70 2.399 7.982 10.977 545 HD2 PHE 70 HD2 PHE 70 5.320 11.057 11.122 546 HE1 PHE 70 HE1 PHE 70 2.246 8.010 13.483 547 HE2 PHE 70 HE2 PHE 70 5.167 11.085 13.627 548 HZ PHE 70 HZ PHE 70 3.632 9.561 14.778 549 H VAL 71 H VAL 71 3.347 8.227 6.672 550 HA VAL 71 HA VAL 71 1.535 6.245 7.482 551 HB VAL 71 HB VAL 71 2.326 7.355 4.786 552 HG11 VAL 71 HG11 VAL 71 -0.320 6.152 4.893 553 HG12 VAL 71 HG12 VAL 71 1.000 5.902 3.725 554 HG13 VAL 71 HG13 VAL 71 0.954 4.956 5.232 555 HG21 VAL 71 HG21 VAL 71 -0.354 7.902 5.870 556 HG22 VAL 71 HG22 VAL 71 0.973 8.554 6.861 557 HG23 VAL 71 HG23 VAL 71 0.840 9.005 5.144 558 H VAL 72 H VAL 72 4.300 6.105 5.120 559 HA VAL 72 HA VAL 72 4.176 3.395 4.660 560 HB VAL 72 HB VAL 72 6.402 3.609 3.823 561 HG11 VAL 72 HG11 VAL 72 5.961 6.215 2.899 562 HG12 VAL 72 HG12 VAL 72 5.419 4.700 2.138 563 HG13 VAL 72 HG13 VAL 72 4.338 5.574 3.249 564 HG21 VAL 72 HG21 VAL 72 7.893 5.424 4.297 565 HG22 VAL 72 HG22 VAL 72 6.638 6.296 5.209 566 HG23 VAL 72 HG23 VAL 72 7.318 4.783 5.855 567 H GLY 73 H GLY 73 5.524 5.227 7.407 568 HA2 GLY 73 HA2 GLY 73 7.101 3.217 8.544 569 HA3 GLY 73 HA3 GLY 73 6.356 4.562 9.385 570 H ALA 74 H ALA 74 3.785 4.286 9.602 571 HA ALA 74 HA ALA 74 3.351 2.178 11.320 572 HB1 ALA 74 HB1 ALA 74 1.368 3.229 11.622 573 HB2 ALA 74 HB2 ALA 74 2.014 4.454 10.503 574 HB3 ALA 74 HB3 ALA 74 0.961 3.156 9.891 575 H MET 75 H MET 75 2.538 2.508 7.805 576 HA MET 75 HA MET 75 1.209 0.122 7.564 577 HB2 MET 75 HB2 MET 75 1.988 2.218 5.903 578 HB3 MET 75 HB3 MET 75 2.981 0.915 5.283 579 HG2 MET 75 HG2 MET 75 0.011 0.481 5.760 580 HG3 MET 75 HG3 MET 75 0.566 1.257 4.291 581 HE1 MET 75 HE1 MET 75 0.040 -0.499 2.417 582 HE2 MET 75 HE2 MET 75 -0.088 -2.223 2.839 583 HE3 MET 75 HE3 MET 75 -1.029 -1.014 3.744 584 H THR 76 H THR 76 4.727 0.855 7.460 585 HA THR 76 HA THR 76 5.565 -1.656 6.524 586 HB THR 76 HB THR 76 6.851 0.581 8.161 587 HG1 THR 76 HG1 THR 76 6.401 1.047 5.939 588 HG21 THR 76 HG21 THR 76 7.844 -2.073 7.940 589 HG22 THR 76 HG22 THR 76 8.678 -1.155 6.662 590 HG23 THR 76 HG23 THR 76 8.787 -0.621 8.357 591 H VAL 77 H VAL 77 5.120 -0.388 9.881 592 HA VAL 77 HA VAL 77 6.007 -2.722 11.132 593 HB VAL 77 HB VAL 77 4.147 -0.500 11.980 594 HG11 VAL 77 HG11 VAL 77 5.196 -2.867 13.540 595 HG12 VAL 77 HG12 VAL 77 4.748 -1.340 14.337 596 HG13 VAL 77 HG13 VAL 77 3.528 -2.255 13.419 597 HG21 VAL 77 HG21 VAL 77 6.037 0.663 12.201 598 HG22 VAL 77 HG22 VAL 77 6.570 -0.500 13.438 599 HG23 VAL 77 HG23 VAL 77 7.010 -0.752 11.732 600 H GLY 78 H GLY 78 2.685 -1.589 10.219 601 HA2 GLY 78 HA2 GLY 78 1.235 -3.716 11.229 602 HA3 GLY 78 HA3 GLY 78 0.791 -2.738 9.844 603 H MET 79 H MET 79 2.814 -3.337 7.979 604 HA MET 79 HA MET 79 1.873 -5.748 6.986 605 HB2 MET 79 HB2 MET 79 4.262 -3.950 6.358 606 HB3 MET 79 HB3 MET 79 3.995 -5.421 5.443 607 HG2 MET 79 HG2 MET 79 1.957 -3.160 5.746 608 HG3 MET 79 HG3 MET 79 2.972 -3.412 4.340 609 HE1 MET 79 HE1 MET 79 1.635 -5.773 2.259 610 HE2 MET 79 HE2 MET 79 0.621 -4.314 2.360 611 HE3 MET 79 HE3 MET 79 2.381 -4.194 2.600 612 H GLY 80 H GLY 80 5.034 -4.876 8.543 613 HA2 GLY 80 HA2 GLY 80 6.370 -7.255 8.316 614 HA3 GLY 80 HA3 GLY 80 6.515 -6.146 9.665 615 H TYR 81 H TYR 81 3.880 -6.300 10.770 616 HA TYR 81 HA TYR 81 4.113 -8.846 12.095 617 HB2 TYR 81 HB2 TYR 81 2.522 -6.247 12.248 618 HB3 TYR 81 HB3 TYR 81 1.897 -7.633 13.119 619 HD1 TYR 81 HD1 TYR 81 3.871 -8.911 14.537 620 HD2 TYR 81 HD2 TYR 81 3.793 -4.765 13.488 621 HE1 TYR 81 HE1 TYR 81 5.423 -8.383 16.481 622 HE2 TYR 81 HE2 TYR 81 5.345 -4.250 15.435 623 HH TYR 81 HH TYR 81 6.565 -5.065 17.024 624 H SER 82 H SER 82 2.327 -7.486 9.417 625 HA SER 82 HA SER 82 0.481 -8.097 8.382 626 HB2 SER 82 HB2 SER 82 2.486 -9.963 8.077 627 HB3 SER 82 HB3 SER 82 1.156 -10.992 8.568 628 HG SER 82 HG SER 82 1.127 -10.788 6.290 629 H MET 83 H MET 83 -0.520 -7.573 10.753 630 HA MET 83 HA MET 83 -1.831 -8.144 12.434 631 HB2 MET 83 HB2 MET 83 -3.040 -9.147 9.862 632 HB3 MET 83 HB3 MET 83 -3.850 -9.656 11.330 633 HG2 MET 83 HG2 MET 83 -4.951 -7.632 10.910 634 HG3 MET 83 HG3 MET 83 -3.685 -7.089 11.994 635 HE1 MET 83 HE1 MET 83 -5.113 -4.982 10.000 636 HE2 MET 83 HE2 MET 83 -4.594 -5.101 8.301 637 HE3 MET 83 HE3 MET 83 -5.524 -6.425 9.043 638 H TYR 84 H TYR 84 0.230 -9.698 12.961 639 HA TYR 84 HA TYR 84 -0.888 -11.978 14.168 640 HB2 TYR 84 HB2 TYR 84 -0.323 -12.273 11.441 641 HB3 TYR 84 HB3 TYR 84 1.211 -12.744 12.144 642 HD1 TYR 84 HD1 TYR 84 -2.334 -13.359 13.226 643 HD2 TYR 84 HD2 TYR 84 1.409 -15.055 12.037 644 HE1 TYR 84 HE1 TYR 84 -3.245 -15.692 13.662 645 HE2 TYR 84 HE2 TYR 84 0.486 -17.383 12.477 646 HH TYR 84 HH TYR 84 -2.827 -17.806 13.697 647 H ARG 85 H ARG 85 1.077 -13.500 14.937 648 HA ARG 85 HA ARG 85 3.119 -11.612 15.786 649 HB2 ARG 85 HB2 ARG 85 3.444 -13.171 17.739 650 HB3 ARG 85 HB3 ARG 85 1.821 -12.513 17.665 651 HG2 ARG 85 HG2 ARG 85 1.804 -14.901 16.078 652 HG3 ARG 85 HG3 ARG 85 2.660 -15.292 17.556 653 HD2 ARG 85 HD2 ARG 85 0.244 -13.667 18.063 654 HD3 ARG 85 HD3 ARG 85 -0.129 -15.172 17.248 655 HE ARG 85 HE ARG 85 0.599 -16.385 19.145 656 HH11 ARG 85 HH22 ARG 85 1.390 -12.952 19.516 657 HH12 ARG 85 HH21 ARG 85 1.792 -13.098 21.194 658 HH21 ARG 85 HH12 ARG 85 1.124 -16.562 21.324 659 HH22 ARG 85 HH11 ARG 85 1.636 -15.172 22.225 660 H GLU 86 H GLU 86 5.138 -11.927 14.900 661 HA GLU 86 HA GLU 86 6.080 -14.603 14.561 662 HB2 GLU 86 HB2 GLU 86 4.807 -13.475 12.367 663 HB3 GLU 86 HB3 GLU 86 6.482 -13.058 12.064 664 HG2 GLU 86 HG2 GLU 86 6.845 -15.170 11.332 665 HG3 GLU 86 HG3 GLU 86 6.533 -15.761 12.953 666 H PHE 87 H PHE 87 8.462 -14.590 13.877 667 HA PHE 87 HA PHE 87 9.706 -12.271 15.120 668 HB2 PHE 87 HB2 PHE 87 10.672 -15.055 14.233 669 HB3 PHE 87 HB3 PHE 87 11.704 -13.893 15.043 670 HD1 PHE 87 HD1 PHE 87 8.546 -15.807 15.493 671 HD2 PHE 87 HD2 PHE 87 11.808 -13.846 17.372 672 HE1 PHE 87 HE1 PHE 87 7.797 -16.692 17.720 673 HE2 PHE 87 HE2 PHE 87 11.058 -14.731 19.598 674 HZ PHE 87 HZ PHE 87 9.061 -16.143 19.745 675 H TRP 88 H TRP 88 10.725 -10.720 13.940 676 HA TRP 88 HA TRP 88 10.926 -11.103 11.089 677 HB2 TRP 88 HB2 TRP 88 11.537 -8.766 11.033 678 HB3 TRP 88 HB3 TRP 88 10.078 -9.010 11.973 679 HD1 TRP 88 HD1 TRP 88 13.651 -7.731 12.328 680 HE1 TRP 88 HE1 TRP 88 14.085 -6.669 14.705 681 HE3 TRP 88 HE3 TRP 88 9.292 -9.316 14.412 682 HZ2 TRP 88 HZ2 TRP 88 12.589 -6.613 17.135 683 HZ3 TRP 88 HZ3 TRP 88 8.856 -8.715 16.791 684 HH2 TRP 88 HH2 TRP 88 10.420 -7.411 18.143 685 H ALA 89 H ALA 89 12.621 -12.378 10.420 686 HA ALA 89 HA ALA 89 15.270 -11.595 11.362 687 HB1 ALA 89 HB1 ALA 89 13.955 -14.288 11.648 688 HB2 ALA 89 HB2 ALA 89 15.704 -14.206 11.326 689 HB3 ALA 89 HB3 ALA 89 15.028 -13.424 12.775 690 H LYS 90 H LYS 90 16.082 -10.795 9.470 691 HA LYS 90 HA LYS 90 15.684 -12.473 7.090 692 HB2 LYS 90 HB2 LYS 90 15.340 -9.607 7.543 693 HB3 LYS 90 HB3 LYS 90 16.435 -9.935 6.215 694 HG2 LYS 90 HG2 LYS 90 14.803 -11.133 4.983 695 HG3 LYS 90 HG3 LYS 90 13.840 -11.485 6.403 696 HD2 LYS 90 HD2 LYS 90 12.531 -9.752 5.688 697 HD3 LYS 90 HD3 LYS 90 13.754 -8.735 6.422 698 HE2 LYS 90 HE2 LYS 90 13.983 -9.678 3.534 699 HE3 LYS 90 HE3 LYS 90 13.103 -8.225 3.959 700 HZ1 LYS 90 HZ1 LYS 90 15.229 -7.518 5.137 701 HZ2 LYS 90 HZ2 LYS 90 15.988 -8.743 4.379 702 HZ3 LYS 90 HZ3 LYS 90 15.257 -7.570 3.502 703 HA PRO 91 HA PRO 91 20.037 -12.810 7.928 704 HB2 PRO 91 HB2 PRO 91 20.334 -15.356 6.981 705 HB3 PRO 91 HB3 PRO 91 19.958 -14.994 8.653 706 HG2 PRO 91 HG2 PRO 91 18.175 -16.030 6.535 707 HG3 PRO 91 HG3 PRO 91 17.950 -16.063 8.272 708 HD2 PRO 91 HD2 PRO 91 16.675 -14.294 6.410 709 HD3 PRO 91 HD3 PRO 91 16.539 -14.252 8.156 710 H LYS 92 H LYS 92 21.278 -11.571 6.680 711 HA LYS 92 HA LYS 92 21.037 -12.139 3.811 712 HB2 LYS 92 HB2 LYS 92 21.983 -9.819 3.552 713 HB3 LYS 92 HB3 LYS 92 20.369 -9.907 4.228 714 HG2 LYS 92 HG2 LYS 92 22.643 -9.959 6.189 715 HG3 LYS 92 HG3 LYS 92 22.369 -8.443 5.353 716 HD2 LYS 92 HD2 LYS 92 19.790 -9.058 6.034 717 HD3 LYS 92 HD3 LYS 92 20.635 -9.854 7.346 718 HE2 LYS 92 HE2 LYS 92 21.732 -7.171 6.818 719 HE3 LYS 92 HE3 LYS 92 20.018 -7.110 7.179 720 HZ1 LYS 92 HZ1 LYS 92 20.426 -7.660 9.317 721 HZ2 LYS 92 HZ2 LYS 92 21.443 -8.875 8.943 722 HZ3 LYS 92 HZ3 LYS 92 21.993 -7.334 8.976 723 HA PRO 93 HA PRO 93 25.156 -13.418 3.763 724 HB2 PRO 93 HB2 PRO 93 25.984 -12.715 1.255 725 HB3 PRO 93 HB3 PRO 93 25.006 -14.133 1.579 726 HG2 PRO 93 HG2 PRO 93 24.190 -11.551 0.393 727 HG3 PRO 93 HG3 PRO 93 23.363 -13.095 0.337 728 HD2 PRO 93 HD2 PRO 93 22.694 -10.848 1.990 729 HD3 PRO 93 HD3 PRO 93 21.941 -12.430 2.017 Start of MODEL 16 1 H1 MET 1 H1 MET 1 15.636 -3.211 12.333 2 HA MET 1 HA MET 1 17.099 -0.941 11.407 3 HB2 MET 1 HB2 MET 1 14.867 -0.353 12.897 4 HB3 MET 1 HB3 MET 1 16.007 -0.626 14.201 5 HG2 MET 1 HG2 MET 1 17.343 1.208 13.615 6 HG3 MET 1 HG3 MET 1 16.914 1.122 11.918 7 HE1 MET 1 HE1 MET 1 15.922 4.534 12.818 8 HE2 MET 1 HE2 MET 1 16.226 4.013 14.493 9 HE3 MET 1 HE3 MET 1 17.308 3.479 13.185 10 H SER 2 H SER 2 16.338 -2.833 14.426 11 HA SER 2 HA SER 2 19.148 -2.866 15.029 12 HB2 SER 2 HB2 SER 2 16.604 -3.492 16.479 13 HB3 SER 2 HB3 SER 2 18.018 -4.398 16.982 14 HG SER 2 HG SER 2 17.613 -2.285 18.101 15 H THR 3 H THR 3 16.456 -5.298 14.667 16 HA THR 3 HA THR 3 18.475 -7.345 14.123 17 HB THR 3 HB THR 3 16.496 -8.870 14.479 18 HG1 THR 3 HG1 THR 3 14.503 -7.858 14.576 19 HG21 THR 3 HG21 THR 3 16.853 -8.733 16.730 20 HG22 THR 3 HG22 THR 3 17.711 -7.196 16.466 21 HG23 THR 3 HG23 THR 3 15.962 -7.193 16.797 22 H ASP 4 H ASP 4 15.383 -6.073 12.716 23 HA ASP 4 HA ASP 4 14.789 -5.808 10.639 24 HB2 ASP 4 HB2 ASP 4 17.655 -5.831 10.420 25 HB3 ASP 4 HB3 ASP 4 17.041 -6.811 9.104 26 H THR 5 H THR 5 17.172 -8.581 10.658 27 HA THR 5 HA THR 5 15.140 -10.546 10.463 28 HB THR 5 HB THR 5 14.851 -9.877 8.173 29 HG1 THR 5 HG1 THR 5 16.199 -11.702 7.130 30 HG21 THR 5 HG21 THR 5 17.769 -10.153 7.491 31 HG22 THR 5 HG22 THR 5 16.530 -9.118 6.744 32 HG23 THR 5 HG23 THR 5 17.275 -8.640 8.288 33 H GLY 6 H GLY 6 18.575 -9.692 9.748 34 HA2 GLY 6 HA2 GLY 6 19.489 -11.625 11.652 35 HA3 GLY 6 HA3 GLY 6 19.735 -12.161 10.002 36 H VAL 7 H VAL 7 21.140 -10.952 8.564 37 HA VAL 7 HA VAL 7 22.834 -9.025 9.999 38 HB VAL 7 HB VAL 7 24.014 -11.095 9.750 39 HG11 VAL 7 HG11 VAL 7 24.408 -12.158 7.573 40 HG12 VAL 7 HG12 VAL 7 22.670 -12.090 7.950 41 HG13 VAL 7 HG13 VAL 7 23.373 -10.943 6.785 42 HG21 VAL 7 HG21 VAL 7 25.568 -9.412 9.500 43 HG22 VAL 7 HG22 VAL 7 25.793 -10.293 7.969 44 HG23 VAL 7 HG23 VAL 7 24.828 -8.798 8.003 45 H SER 8 H SER 8 21.405 -10.111 6.873 46 HA SER 8 HA SER 8 22.303 -8.319 5.160 47 HB2 SER 8 HB2 SER 8 19.383 -9.120 5.533 48 HB3 SER 8 HB3 SER 8 20.018 -8.365 4.084 49 HG SER 8 HG SER 8 19.870 -10.892 4.363 50 H LEU 9 H LEU 9 22.649 -6.135 5.325 51 HA LEU 9 HA LEU 9 20.603 -4.583 6.753 52 HB2 LEU 9 HB2 LEU 9 23.441 -4.774 7.119 53 HB3 LEU 9 HB3 LEU 9 23.040 -3.148 6.605 54 HG LEU 9 HG LEU 9 21.245 -4.138 8.699 55 HD11 LEU 9 HD11 LEU 9 22.895 -4.006 10.528 56 HD12 LEU 9 HD12 LEU 9 23.197 -5.375 9.431 57 HD13 LEU 9 HD13 LEU 9 24.202 -3.911 9.323 58 HD21 LEU 9 HD21 LEU 9 23.007 -1.759 9.040 59 HD22 LEU 9 HD22 LEU 9 21.816 -1.729 7.718 60 HD23 LEU 9 HD23 LEU 9 21.276 -1.974 9.396 61 HA PRO 10 HA PRO 10 20.349 -3.171 2.538 62 HB2 PRO 10 HB2 PRO 10 17.656 -2.705 2.530 63 HB3 PRO 10 HB3 PRO 10 18.365 -4.233 2.049 64 HG2 PRO 10 HG2 PRO 10 16.947 -3.556 4.553 65 HG3 PRO 10 HG3 PRO 10 17.281 -5.136 3.873 66 HD2 PRO 10 HD2 PRO 10 18.650 -3.885 6.061 67 HD3 PRO 10 HD3 PRO 10 19.057 -5.414 5.307 68 H SER 11 H SER 11 21.687 -1.393 2.990 69 HA SER 11 HA SER 11 20.034 0.908 3.677 70 HB2 SER 11 HB2 SER 11 21.533 0.294 5.571 71 HB3 SER 11 HB3 SER 11 22.926 0.409 4.513 72 HG SER 11 HG SER 11 22.384 2.350 5.891 73 H TYR 12 H TYR 12 23.315 -0.010 2.375 74 HA TYR 12 HA TYR 12 22.844 1.061 -0.162 75 HB2 TYR 12 HB2 TYR 12 23.994 3.197 0.052 76 HB3 TYR 12 HB3 TYR 12 22.920 3.141 1.437 77 HD1 TYR 12 HD1 TYR 12 24.179 1.669 3.486 78 HD2 TYR 12 HD2 TYR 12 26.039 4.157 0.544 79 HE1 TYR 12 HE1 TYR 12 26.165 2.027 5.033 80 HE2 TYR 12 HE2 TYR 12 28.018 4.506 2.100 81 HH TYR 12 HH TYR 12 29.079 3.356 3.946 82 H GLU 13 H GLU 13 23.955 -1.323 1.002 83 HA GLU 13 HA GLU 13 26.298 -1.455 -0.503 84 HB2 GLU 13 HB2 GLU 13 26.833 -0.319 1.939 85 HB3 GLU 13 HB3 GLU 13 27.052 -2.013 2.328 86 HG2 GLU 13 HG2 GLU 13 29.071 -2.010 1.301 87 HG3 GLU 13 HG3 GLU 13 28.317 -1.561 -0.216 88 H GLU 14 H GLU 14 24.359 -3.021 -1.029 89 HA GLU 14 HA GLU 14 25.185 -5.560 -0.541 90 HB2 GLU 14 HB2 GLU 14 23.440 -4.510 1.617 91 HB3 GLU 14 HB3 GLU 14 22.894 -6.033 0.944 92 HG2 GLU 14 HG2 GLU 14 25.727 -6.273 1.247 93 HG3 GLU 14 HG3 GLU 14 25.144 -5.525 2.721 94 H ASP 15 H ASP 15 23.580 -7.216 -1.393 95 HA ASP 15 HA ASP 15 21.122 -6.599 -2.339 96 HB2 ASP 15 HB2 ASP 15 23.257 -5.453 -3.992 97 HB3 ASP 15 HB3 ASP 15 22.317 -6.609 -4.915 98 H GLN 16 H GLN 16 20.906 -8.854 -1.758 99 HA GLN 16 HA GLN 16 21.994 -10.639 -3.761 100 HB2 GLN 16 HB2 GLN 16 23.256 -10.501 -1.355 101 HB3 GLN 16 HB3 GLN 16 22.013 -11.667 -0.947 102 HG2 GLN 16 HG2 GLN 16 23.088 -13.308 -2.085 103 HG3 GLN 16 HG3 GLN 16 23.119 -12.343 -3.547 104 HE21 GLN 16 HE21 GLN 16 25.190 -13.847 -3.317 105 HE22 GLN 16 HE22 GLN 16 26.620 -13.024 -2.789 106 H GLY 17 H GLY 17 19.949 -10.443 -0.757 107 HA2 GLY 17 HA2 GLY 17 18.305 -12.532 -0.976 108 HA3 GLY 17 HA3 GLY 17 17.745 -10.938 -0.509 109 H SER 18 H SER 18 17.632 -9.371 -2.661 110 HA SER 18 HA SER 18 15.429 -10.079 -3.987 111 HB2 SER 18 HB2 SER 18 16.749 -7.851 -3.994 112 HB3 SER 18 HB3 SER 18 17.659 -8.511 -5.338 113 HG SER 18 HG SER 18 15.625 -8.780 -6.500 114 H LYS 19 H LYS 19 18.848 -10.635 -5.072 115 HA LYS 19 HA LYS 19 18.272 -11.791 -7.511 116 HB2 LYS 19 HB2 LYS 19 20.561 -11.672 -5.654 117 HB3 LYS 19 HB3 LYS 19 20.557 -13.077 -6.701 118 HG2 LYS 19 HG2 LYS 19 20.483 -11.721 -8.697 119 HG3 LYS 19 HG3 LYS 19 20.067 -10.278 -7.795 120 HD2 LYS 19 HD2 LYS 19 22.269 -10.130 -6.812 121 HD3 LYS 19 HD3 LYS 19 22.688 -11.754 -7.320 122 HE2 LYS 19 HE2 LYS 19 22.599 -11.045 -9.710 123 HE3 LYS 19 HE3 LYS 19 22.132 -9.427 -9.224 124 HZ1 LYS 19 HZ1 LYS 19 24.367 -9.096 -9.256 125 HZ2 LYS 19 HZ2 LYS 19 24.369 -9.783 -7.780 126 HZ3 LYS 19 HZ3 LYS 19 24.690 -10.693 -9.102 127 H LEU 20 H LEU 20 18.463 -13.253 -4.218 128 HA LEU 20 HA LEU 20 18.132 -15.893 -5.061 129 HB2 LEU 20 HB2 LEU 20 18.102 -14.373 -2.567 130 HB3 LEU 20 HB3 LEU 20 17.008 -15.742 -2.542 131 HG LEU 20 HG LEU 20 19.072 -17.084 -3.439 132 HD11 LEU 20 HD11 LEU 20 20.819 -15.339 -1.861 133 HD12 LEU 20 HD12 LEU 20 21.107 -16.162 -3.413 134 HD13 LEU 20 HD13 LEU 20 20.253 -14.601 -3.378 135 HD21 LEU 20 HD21 LEU 20 17.918 -16.692 -0.939 136 HD22 LEU 20 HD22 LEU 20 19.042 -17.991 -1.408 137 HD23 LEU 20 HD23 LEU 20 19.665 -16.506 -0.650 138 H ILE 21 H ILE 21 15.874 -13.193 -4.644 139 HA ILE 21 HA ILE 21 13.578 -14.927 -4.754 140 HB ILE 21 HB ILE 21 13.924 -11.931 -4.726 141 HG12 ILE 21 HG12 ILE 21 14.515 -13.056 -2.634 142 HG13 ILE 21 HG13 ILE 21 13.068 -12.083 -2.455 143 HG21 ILE 21 HG21 ILE 21 11.931 -12.205 -5.921 144 HG22 ILE 21 HG22 ILE 21 11.433 -13.614 -4.955 145 HG23 ILE 21 HG23 ILE 21 11.408 -11.987 -4.234 146 HD11 ILE 21 HD11 ILE 21 12.255 -14.001 -1.477 147 HD12 ILE 21 HD12 ILE 21 11.915 -14.450 -3.166 148 HD13 ILE 21 HD13 ILE 21 13.385 -15.053 -2.364 149 H ARG 22 H ARG 22 15.781 -13.379 -6.959 150 HA ARG 22 HA ARG 22 15.681 -12.914 -9.097 151 HB2 ARG 22 HB2 ARG 22 15.015 -15.740 -8.655 152 HB3 ARG 22 HB3 ARG 22 14.364 -15.186 -10.185 153 HG2 ARG 22 HG2 ARG 22 17.254 -14.672 -9.355 154 HG3 ARG 22 HG3 ARG 22 16.770 -16.108 -10.235 155 HD2 ARG 22 HD2 ARG 22 15.593 -14.268 -11.837 156 HD3 ARG 22 HD3 ARG 22 16.848 -13.244 -11.167 157 HE ARG 22 HE ARG 22 17.224 -15.470 -13.022 158 HH11 ARG 22 HH22 ARG 22 18.811 -13.525 -10.521 159 HH12 ARG 22 HH21 ARG 22 20.409 -13.860 -11.100 160 HH21 ARG 22 HH12 ARG 22 19.305 -15.897 -13.762 161 HH22 ARG 22 HH11 ARG 22 20.685 -15.221 -12.959 162 H LYS 23 H LYS 23 14.056 -11.135 -8.832 163 HA LYS 23 HA LYS 23 12.180 -10.071 -9.311 164 HB2 LYS 23 HB2 LYS 23 12.459 -12.046 -11.533 165 HB3 LYS 23 HB3 LYS 23 10.948 -11.166 -11.421 166 HG2 LYS 23 HG2 LYS 23 11.918 -9.299 -12.262 167 HG3 LYS 23 HG3 LYS 23 13.111 -9.296 -10.978 168 HD2 LYS 23 HD2 LYS 23 13.437 -11.228 -13.288 169 HD3 LYS 23 HD3 LYS 23 13.868 -9.545 -13.517 170 HE2 LYS 23 HE2 LYS 23 14.907 -10.924 -11.045 171 HE3 LYS 23 HE3 LYS 23 15.635 -11.356 -12.579 172 HZ1 LYS 23 HZ1 LYS 23 16.179 -9.090 -11.086 173 HZ2 LYS 23 HZ2 LYS 23 16.734 -9.411 -12.583 174 HZ3 LYS 23 HZ3 LYS 23 15.338 -8.581 -12.394 175 H ALA 24 H ALA 24 9.605 -10.596 -9.919 176 HA ALA 24 HA ALA 24 8.491 -11.467 -7.611 177 HB1 ALA 24 HB1 ALA 24 7.307 -11.801 -10.396 178 HB2 ALA 24 HB2 ALA 24 6.415 -11.613 -8.867 179 HB3 ALA 24 HB3 ALA 24 7.377 -10.260 -9.508 180 H LYS 25 H LYS 25 7.325 -13.447 -7.000 181 HA LYS 25 HA LYS 25 7.647 -15.822 -8.476 182 HB2 LYS 25 HB2 LYS 25 9.998 -15.122 -7.233 183 HB3 LYS 25 HB3 LYS 25 9.256 -16.157 -6.029 184 HG2 LYS 25 HG2 LYS 25 8.792 -17.811 -7.994 185 HG3 LYS 25 HG3 LYS 25 9.917 -16.838 -8.921 186 HD2 LYS 25 HD2 LYS 25 11.705 -17.243 -7.272 187 HD3 LYS 25 HD3 LYS 25 10.590 -18.090 -6.218 188 HE2 LYS 25 HE2 LYS 25 10.894 -20.035 -7.350 189 HE3 LYS 25 HE3 LYS 25 10.469 -19.275 -8.871 190 HZ1 LYS 25 HZ1 LYS 25 12.950 -20.146 -8.252 191 HZ2 LYS 25 HZ2 LYS 25 12.645 -19.039 -9.407 192 HZ3 LYS 25 HZ3 LYS 25 13.045 -18.550 -7.897 193 H GLU 26 H GLU 26 7.905 -15.210 -4.915 194 HA GLU 26 HA GLU 26 5.299 -16.493 -4.710 195 HB2 GLU 26 HB2 GLU 26 7.696 -16.366 -2.865 196 HB3 GLU 26 HB3 GLU 26 6.109 -16.712 -2.208 197 HG2 GLU 26 HG2 GLU 26 5.946 -18.773 -3.287 198 HG3 GLU 26 HG3 GLU 26 6.929 -18.268 -4.646 199 H ALA 27 H ALA 27 5.535 -13.709 -5.467 200 HA ALA 27 HA ALA 27 4.733 -11.714 -4.951 201 HB1 ALA 27 HB1 ALA 27 2.613 -12.037 -4.288 202 HB2 ALA 27 HB2 ALA 27 3.044 -13.645 -3.656 203 HB3 ALA 27 HB3 ALA 27 3.172 -12.212 -2.607 204 HA PRO 28 HA PRO 28 7.748 -11.324 -1.542 205 HB2 PRO 28 HB2 PRO 28 9.825 -10.227 -2.939 206 HB3 PRO 28 HB3 PRO 28 9.704 -11.940 -2.587 207 HG2 PRO 28 HG2 PRO 28 9.225 -10.535 -5.144 208 HG3 PRO 28 HG3 PRO 28 9.526 -12.239 -4.868 209 HD2 PRO 28 HD2 PRO 28 6.995 -11.012 -5.434 210 HD3 PRO 28 HD3 PRO 28 7.280 -12.697 -5.044 211 H PHE 29 H PHE 29 9.129 -9.219 -0.934 212 HA PHE 29 HA PHE 29 7.107 -7.155 -1.125 213 HB2 PHE 29 HB2 PHE 29 8.571 -6.124 0.645 214 HB3 PHE 29 HB3 PHE 29 8.190 -7.786 1.052 215 HD1 PHE 29 HD1 PHE 29 9.905 -9.521 0.933 216 HD2 PHE 29 HD2 PHE 29 10.825 -5.478 0.030 217 HE1 PHE 29 HE1 PHE 29 12.354 -10.034 1.132 218 HE2 PHE 29 HE2 PHE 29 13.274 -5.991 0.229 219 HZ PHE 29 HZ PHE 29 14.009 -8.262 0.778 220 H VAL 30 H VAL 30 9.922 -8.121 -2.814 221 HA VAL 30 HA VAL 30 11.307 -5.821 -3.284 222 HB VAL 30 HB VAL 30 10.848 -8.387 -4.599 223 HG11 VAL 30 HG11 VAL 30 10.202 -7.030 -6.505 224 HG12 VAL 30 HG12 VAL 30 11.643 -6.004 -6.305 225 HG13 VAL 30 HG13 VAL 30 11.824 -7.709 -6.782 226 HG21 VAL 30 HG21 VAL 30 13.139 -6.594 -3.881 227 HG22 VAL 30 HG22 VAL 30 12.848 -8.300 -3.467 228 HG23 VAL 30 HG23 VAL 30 13.395 -7.862 -5.103 229 HA PRO 31 HA PRO 31 8.093 -4.669 -6.554 230 HB2 PRO 31 HB2 PRO 31 5.754 -6.070 -6.746 231 HB3 PRO 31 HB3 PRO 31 7.150 -6.393 -7.755 232 HG2 PRO 31 HG2 PRO 31 6.130 -7.942 -5.453 233 HG3 PRO 31 HG3 PRO 31 7.235 -8.449 -6.715 234 HD2 PRO 31 HD2 PRO 31 7.917 -7.731 -4.023 235 HD3 PRO 31 HD3 PRO 31 9.031 -8.126 -5.317 236 H VAL 32 H VAL 32 7.251 -5.541 -3.390 237 HA VAL 32 HA VAL 32 4.968 -3.849 -3.227 238 HB VAL 32 HB VAL 32 6.748 -5.155 -1.163 239 HG11 VAL 32 HG11 VAL 32 4.340 -4.665 0.084 240 HG12 VAL 32 HG12 VAL 32 5.829 -3.713 0.296 241 HG13 VAL 32 HG13 VAL 32 4.590 -3.180 -0.865 242 HG21 VAL 32 HG21 VAL 32 5.321 -6.570 -2.763 243 HG22 VAL 32 HG22 VAL 32 5.129 -6.861 -1.017 244 HG23 VAL 32 HG23 VAL 32 3.913 -5.906 -1.900 245 H GLY 33 H GLY 33 8.475 -3.573 -2.423 246 HA2 GLY 33 HA2 GLY 33 8.215 -0.934 -1.340 247 HA3 GLY 33 HA3 GLY 33 9.692 -1.796 -1.725 248 H ILE 34 H ILE 34 9.318 -2.368 -4.484 249 HA ILE 34 HA ILE 34 10.107 0.072 -5.607 250 HB ILE 34 HB ILE 34 9.377 -2.625 -6.706 251 HG12 ILE 34 HG12 ILE 34 11.544 -2.123 -5.422 252 HG13 ILE 34 HG13 ILE 34 11.668 -2.952 -6.961 253 HG21 ILE 34 HG21 ILE 34 10.240 -1.808 -8.912 254 HG22 ILE 34 HG22 ILE 34 8.659 -1.143 -8.436 255 HG23 ILE 34 HG23 ILE 34 10.127 -0.149 -8.277 256 HD11 ILE 34 HD11 ILE 34 11.900 0.077 -6.741 257 HD12 ILE 34 HD12 ILE 34 13.305 -1.005 -6.587 258 HD13 ILE 34 HD13 ILE 34 12.377 -0.961 -8.106 259 H ALA 35 H ALA 35 7.107 -1.894 -6.222 260 HA ALA 35 HA ALA 35 5.849 0.147 -7.669 261 HB1 ALA 35 HB1 ALA 35 4.513 -2.080 -6.091 262 HB2 ALA 35 HB2 ALA 35 3.926 -1.281 -7.570 263 HB3 ALA 35 HB3 ALA 35 5.347 -2.351 -7.640 264 H GLY 36 H GLY 36 6.052 -0.642 -4.188 265 HA2 GLY 36 HA2 GLY 36 3.936 0.959 -3.280 266 HA3 GLY 36 HA3 GLY 36 5.337 0.450 -2.359 267 H PHE 37 H PHE 37 7.423 1.666 -3.938 268 HA PHE 37 HA PHE 37 7.336 4.262 -2.859 269 HB2 PHE 37 HB2 PHE 37 9.314 2.634 -3.473 270 HB3 PHE 37 HB3 PHE 37 9.095 3.170 -5.127 271 HD1 PHE 37 HD2 PHE 37 9.424 4.743 -1.747 272 HD2 PHE 37 HD1 PHE 37 10.533 4.811 -5.843 273 HE1 PHE 37 HE2 PHE 37 10.923 6.708 -1.309 274 HE2 PHE 37 HE1 PHE 37 12.031 6.776 -5.405 275 HZ PHE 37 HZ PHE 37 12.209 7.701 -3.143 276 H ALA 38 H ALA 38 7.283 3.054 -6.291 277 HA ALA 38 HA ALA 38 7.015 5.532 -7.486 278 HB1 ALA 38 HB1 ALA 38 5.548 3.596 -8.984 279 HB2 ALA 38 HB2 ALA 38 7.220 4.149 -9.242 280 HB3 ALA 38 HB3 ALA 38 6.898 2.744 -8.197 281 H ALA 39 H ALA 39 4.430 3.152 -6.547 282 HA ALA 39 HA ALA 39 2.280 4.709 -7.304 283 HB1 ALA 39 HB1 ALA 39 1.060 3.301 -5.572 284 HB2 ALA 39 HB2 ALA 39 2.006 2.384 -6.768 285 HB3 ALA 39 HB3 ALA 39 2.643 2.622 -5.123 286 H ILE 40 H ILE 40 3.782 4.391 -4.004 287 HA ILE 40 HA ILE 40 2.288 6.128 -2.618 288 HB ILE 40 HB ILE 40 5.187 5.435 -2.576 289 HG12 ILE 40 HG12 ILE 40 3.087 5.181 -0.415 290 HG13 ILE 40 HG13 ILE 40 3.281 3.986 -1.682 291 HG21 ILE 40 HG21 ILE 40 3.976 7.818 -1.278 292 HG22 ILE 40 HG22 ILE 40 5.056 6.812 -0.283 293 HG23 ILE 40 HG23 ILE 40 5.648 7.516 -1.807 294 HD11 ILE 40 HD11 ILE 40 5.386 4.850 0.350 295 HD12 ILE 40 HD12 ILE 40 4.589 3.262 0.233 296 HD13 ILE 40 HD13 ILE 40 5.728 3.782 -1.033 297 H VAL 41 H VAL 41 4.989 7.000 -4.861 298 HA VAL 41 HA VAL 41 4.882 9.741 -4.407 299 HB VAL 41 HB VAL 41 5.664 8.158 -6.863 300 HG11 VAL 41 HG11 VAL 41 6.557 10.037 -7.825 301 HG12 VAL 41 HG12 VAL 41 5.180 10.774 -6.972 302 HG13 VAL 41 HG13 VAL 41 6.812 10.855 -6.265 303 HG21 VAL 41 HG21 VAL 41 7.635 7.708 -5.881 304 HG22 VAL 41 HG22 VAL 41 7.770 9.341 -5.188 305 HG23 VAL 41 HG23 VAL 41 6.805 8.099 -4.356 306 H ALA 42 H ALA 42 3.239 7.698 -6.918 307 HA ALA 42 HA ALA 42 1.915 9.726 -8.220 308 HB1 ALA 42 HB1 ALA 42 0.865 8.007 -9.305 309 HB2 ALA 42 HB2 ALA 42 2.101 7.034 -8.471 310 HB3 ALA 42 HB3 ALA 42 0.459 7.158 -7.794 311 H TYR 43 H TYR 43 0.613 7.618 -5.551 312 HA TYR 43 HA TYR 43 -1.779 8.842 -5.187 313 HB2 TYR 43 HB2 TYR 43 -0.317 6.876 -4.000 314 HB3 TYR 43 HB3 TYR 43 0.039 8.139 -2.839 315 HD1 TYR 43 HD2 TYR 43 -3.065 7.019 -4.647 316 HD2 TYR 43 HD1 TYR 43 -1.210 7.939 -0.903 317 HE1 TYR 43 HE2 TYR 43 -5.247 6.531 -3.438 318 HE2 TYR 43 HE1 TYR 43 -3.398 7.447 0.294 319 HH TYR 43 HH TYR 43 -5.794 7.460 -0.263 320 H GLY 44 H GLY 44 1.375 9.781 -3.652 321 HA2 GLY 44 HA2 GLY 44 0.486 11.844 -2.062 322 HA3 GLY 44 HA3 GLY 44 2.070 11.744 -2.805 323 H LEU 45 H LEU 45 1.487 11.933 -5.553 324 HA LEU 45 HA LEU 45 1.240 14.674 -5.875 325 HB2 LEU 45 HB2 LEU 45 1.638 12.331 -7.500 326 HB3 LEU 45 HB3 LEU 45 0.525 13.425 -8.297 327 HG LEU 45 HG LEU 45 2.417 15.206 -7.597 328 HD11 LEU 45 HD11 LEU 45 3.677 13.074 -6.646 329 HD12 LEU 45 HD12 LEU 45 4.205 12.935 -8.340 330 HD13 LEU 45 HD13 LEU 45 4.549 14.419 -7.419 331 HD21 LEU 45 HD21 LEU 45 1.656 15.098 -9.817 332 HD22 LEU 45 HD22 LEU 45 3.405 14.783 -9.911 333 HD23 LEU 45 HD23 LEU 45 2.249 13.434 -10.035 334 H TYR 46 H TYR 46 -1.186 12.022 -6.242 335 HA TYR 46 HA TYR 46 -3.253 13.765 -7.080 336 HB2 TYR 46 HB2 TYR 46 -2.847 11.131 -7.204 337 HB3 TYR 46 HB3 TYR 46 -3.476 11.103 -5.569 338 HD1 TYR 46 HD1 TYR 46 -4.310 11.689 -9.109 339 HD2 TYR 46 HD2 TYR 46 -5.839 11.484 -5.119 340 HE1 TYR 46 HE1 TYR 46 -6.683 11.596 -10.016 341 HE2 TYR 46 HE2 TYR 46 -8.207 11.391 -6.039 342 HH TYR 46 HH TYR 46 -8.912 12.118 -9.277 343 H LYS 47 H LYS 47 -2.206 12.422 -3.901 344 HA LYS 47 HA LYS 47 -4.384 13.154 -2.399 345 HB2 LYS 47 HB2 LYS 47 -1.467 12.752 -1.835 346 HB3 LYS 47 HB3 LYS 47 -2.482 13.427 -0.576 347 HG2 LYS 47 HG2 LYS 47 -4.112 11.450 -1.081 348 HG3 LYS 47 HG3 LYS 47 -2.780 10.740 -1.971 349 HD2 LYS 47 HD2 LYS 47 -2.242 9.830 0.068 350 HD3 LYS 47 HD3 LYS 47 -1.467 11.379 0.333 351 HE2 LYS 47 HE2 LYS 47 -3.709 12.205 1.299 352 HE3 LYS 47 HE3 LYS 47 -4.256 10.541 1.244 353 HZ1 LYS 47 HZ1 LYS 47 -3.063 10.088 3.082 354 HZ2 LYS 47 HZ2 LYS 47 -1.692 10.731 2.484 355 HZ3 LYS 47 HZ3 LYS 47 -2.797 11.697 3.205 356 H LEU 48 H LEU 48 -1.662 15.130 -3.630 357 HA LEU 48 HA LEU 48 -1.801 17.360 -2.159 358 HB2 LEU 48 HB2 LEU 48 -0.783 16.622 -4.632 359 HB3 LEU 48 HB3 LEU 48 -1.813 17.990 -5.004 360 HG LEU 48 HG LEU 48 0.215 18.147 -2.780 361 HD11 LEU 48 HD11 LEU 48 0.813 17.759 -5.557 362 HD12 LEU 48 HD12 LEU 48 1.279 19.409 -5.079 363 HD13 LEU 48 HD13 LEU 48 1.921 18.009 -4.187 364 HD21 LEU 48 HD21 LEU 48 -1.749 19.900 -3.793 365 HD22 LEU 48 HD22 LEU 48 -0.485 20.241 -2.587 366 HD23 LEU 48 HD23 LEU 48 -0.175 20.549 -4.312 367 H LYS 49 H LYS 49 -4.302 16.095 -4.330 368 HA LYS 49 HA LYS 49 -6.467 16.610 -4.407 369 HB2 LYS 49 HB2 LYS 49 -5.856 17.625 -1.970 370 HB3 LYS 49 HB3 LYS 49 -6.328 19.098 -2.792 371 HG2 LYS 49 HG2 LYS 49 -8.251 17.134 -3.561 372 HG3 LYS 49 HG3 LYS 49 -8.009 16.914 -1.839 373 HD2 LYS 49 HD2 LYS 49 -8.122 19.718 -2.166 374 HD3 LYS 49 HD3 LYS 49 -9.346 19.111 -3.263 375 HE2 LYS 49 HE2 LYS 49 -10.526 19.332 -1.223 376 HE3 LYS 49 HE3 LYS 49 -10.141 17.623 -1.268 377 HZ1 LYS 49 HZ1 LYS 49 -8.188 18.107 0.143 378 HZ2 LYS 49 HZ2 LYS 49 -8.594 19.683 0.214 379 HZ3 LYS 49 HZ3 LYS 49 -9.601 18.554 0.836 380 H SER 50 H SER 50 -7.487 19.454 -4.448 381 HA SER 50 HA SER 50 -7.807 21.029 -5.904 382 HB2 SER 50 HB2 SER 50 -4.853 20.758 -5.868 383 HB3 SER 50 HB3 SER 50 -5.470 21.529 -7.315 384 HG SER 50 HG SER 50 -5.247 22.547 -4.773 385 H ARG 51 H ARG 51 -8.303 18.266 -6.694 386 HA ARG 51 HA ARG 51 -8.589 18.717 -9.455 387 HB2 ARG 51 HB2 ARG 51 -6.137 17.717 -8.985 388 HB3 ARG 51 HB3 ARG 51 -7.009 16.201 -8.876 389 HG2 ARG 51 HG2 ARG 51 -7.106 16.077 -11.135 390 HG3 ARG 51 HG3 ARG 51 -8.016 17.573 -11.190 391 HD2 ARG 51 HD2 ARG 51 -6.219 18.466 -12.272 392 HD3 ARG 51 HD3 ARG 51 -5.418 18.481 -10.713 393 HE ARG 51 HE ARG 51 -5.149 15.865 -11.854 394 HH11 ARG 51 HH22 ARG 51 -3.965 19.170 -12.335 395 HH12 ARG 51 HH21 ARG 51 -2.476 18.664 -13.059 396 HH21 ARG 51 HH12 ARG 51 -3.210 15.221 -12.796 397 HH22 ARG 51 HH11 ARG 51 -2.049 16.397 -13.321 398 H GLY 52 H GLY 52 -8.220 15.921 -7.138 399 HA2 GLY 52 HA2 GLY 52 -10.908 15.009 -7.956 400 HA3 GLY 52 HA3 GLY 52 -9.617 13.987 -7.356 401 H ASN 53 H ASN 53 -12.272 14.064 -6.236 402 HA ASN 53 HA ASN 53 -11.600 15.171 -3.626 403 HB2 ASN 53 HB2 ASN 53 -14.188 15.405 -3.369 404 HB3 ASN 53 HB3 ASN 53 -13.375 16.589 -4.373 405 HD21 ASN 53 HD21 ASN 53 -14.463 17.054 -6.112 406 HD22 ASN 53 HD22 ASN 53 -15.378 15.972 -7.108 407 H THR 54 H THR 54 -11.881 13.673 -1.917 408 HA THR 54 HA THR 54 -13.716 11.540 -2.009 409 HB THR 54 HB THR 54 -12.283 10.508 -3.663 410 HG1 THR 54 HG1 THR 54 -11.335 9.673 -1.019 411 HG21 THR 54 HG21 THR 54 -9.911 10.895 -1.780 412 HG22 THR 54 HG22 THR 54 -9.887 10.319 -3.465 413 HG23 THR 54 HG23 THR 54 -10.244 12.027 -3.113 414 H LYS 55 H LYS 55 -10.440 12.477 -0.773 415 HA LYS 55 HA LYS 55 -11.333 12.991 1.788 416 HB2 LYS 55 HB2 LYS 55 -11.943 10.734 2.131 417 HB3 LYS 55 HB3 LYS 55 -10.497 10.124 1.353 418 HG2 LYS 55 HG2 LYS 55 -9.201 10.398 3.233 419 HG3 LYS 55 HG3 LYS 55 -9.953 11.922 3.658 420 HD2 LYS 55 HD2 LYS 55 -11.758 9.569 3.907 421 HD3 LYS 55 HD3 LYS 55 -10.375 9.525 4.983 422 HE2 LYS 55 HE2 LYS 55 -11.457 12.214 4.997 423 HE3 LYS 55 HE3 LYS 55 -12.775 11.087 5.249 424 HZ1 LYS 55 HZ1 LYS 55 -10.870 10.076 6.868 425 HZ2 LYS 55 HZ2 LYS 55 -10.539 11.665 6.990 426 HZ3 LYS 55 HZ3 LYS 55 -12.047 11.119 7.318 427 H MET 56 H MET 56 -9.825 14.404 2.477 428 HA MET 56 HA MET 56 -7.100 13.713 2.436 429 HB2 MET 56 HB2 MET 56 -7.707 14.513 -0.005 430 HB3 MET 56 HB3 MET 56 -7.841 16.114 0.696 431 HG2 MET 56 HG2 MET 56 -5.365 14.796 1.567 432 HG3 MET 56 HG3 MET 56 -5.466 14.842 -0.182 433 HE1 MET 56 HE1 MET 56 -3.097 17.123 0.197 434 HE2 MET 56 HE2 MET 56 -3.400 17.652 1.869 435 HE3 MET 56 HE3 MET 56 -3.434 15.919 1.464 436 H SER 57 H SER 57 -5.725 15.498 3.407 437 HA SER 57 HA SER 57 -5.357 17.012 4.916 438 HB2 SER 57 HB2 SER 57 -6.328 18.690 3.516 439 HB3 SER 57 HB3 SER 57 -7.960 18.131 3.827 440 HG SER 57 HG SER 57 -8.011 19.158 5.757 441 H ILE 58 H ILE 58 -5.344 16.311 7.019 442 HA ILE 58 HA ILE 58 -7.594 16.535 8.657 443 HB ILE 58 HB ILE 58 -8.317 14.570 7.318 444 HG12 ILE 58 HG12 ILE 58 -8.846 13.145 9.370 445 HG13 ILE 58 HG13 ILE 58 -7.898 14.287 10.300 446 HG21 ILE 58 HG21 ILE 58 -7.023 12.804 6.947 447 HG22 ILE 58 HG22 ILE 58 -5.682 13.708 7.690 448 HG23 ILE 58 HG23 ILE 58 -6.675 12.613 8.682 449 HD11 ILE 58 HD11 ILE 58 -10.621 14.539 9.504 450 HD12 ILE 58 HD12 ILE 58 -9.627 15.745 10.356 451 HD13 ILE 58 HD13 ILE 58 -9.713 15.758 8.578 452 H HIS 59 H HIS 59 -5.035 17.555 8.766 453 HA HIS 59 HA HIS 59 -4.238 17.003 11.284 454 HB2 HIS 59 HB2 HIS 59 -3.401 14.880 9.506 455 HB3 HIS 59 HB3 HIS 59 -1.998 15.700 10.163 456 HD1 HIS 59 HD1 HIS 59 -2.881 16.302 13.034 457 HD2 HIS 59 HD2 HIS 59 -3.663 12.669 11.089 458 HE1 HIS 59 HE1 HIS 59 -3.246 14.571 14.873 459 H LEU 60 H LEU 60 -3.347 17.778 7.926 460 HA LEU 60 HA LEU 60 -2.211 19.462 7.061 461 HB2 LEU 60 HB2 LEU 60 -2.469 20.615 9.839 462 HB3 LEU 60 HB3 LEU 60 -1.780 21.485 8.482 463 HG LEU 60 HG LEU 60 -4.384 20.399 7.790 464 HD11 LEU 60 HD11 LEU 60 -5.751 21.787 9.275 465 HD12 LEU 60 HD12 LEU 60 -4.839 20.558 10.182 466 HD13 LEU 60 HD13 LEU 60 -4.295 22.253 10.187 467 HD21 LEU 60 HD21 LEU 60 -4.721 23.009 7.533 468 HD22 LEU 60 HD22 LEU 60 -2.949 23.020 7.708 469 HD23 LEU 60 HD23 LEU 60 -3.708 22.082 6.399 470 H ILE 61 H ILE 61 -1.006 17.104 8.779 471 HA ILE 61 HA ILE 61 1.709 18.227 8.793 472 HB ILE 61 HB ILE 61 2.275 16.892 10.641 473 HG12 ILE 61 HG12 ILE 61 -0.076 15.587 11.486 474 HG13 ILE 61 HG13 ILE 61 0.055 15.245 9.772 475 HG21 ILE 61 HG21 ILE 61 0.091 18.755 10.772 476 HG22 ILE 61 HG22 ILE 61 -0.107 17.508 12.027 477 HG23 ILE 61 HG23 ILE 61 1.397 18.456 11.944 478 HD11 ILE 61 HD11 ILE 61 1.435 13.564 10.541 479 HD12 ILE 61 HD12 ILE 61 2.653 14.860 10.463 480 HD13 ILE 61 HD13 ILE 61 1.877 14.459 12.014 481 H HIS 62 H HIS 62 1.090 17.549 6.369 482 HA HIS 62 HA HIS 62 2.084 14.807 6.102 483 HB2 HIS 62 HB2 HIS 62 0.126 14.298 5.166 484 HB3 HIS 62 HB3 HIS 62 -0.379 15.975 5.106 485 HD1 HIS 62 HD1 HIS 62 0.258 17.349 2.916 486 HD2 HIS 62 HD2 HIS 62 1.077 13.238 2.760 487 HE1 HIS 62 HE1 HIS 62 0.654 16.792 0.458 488 H MET 63 H MET 63 1.540 17.871 4.212 489 HA MET 63 HA MET 63 2.862 19.034 2.935 490 HB2 MET 63 HB2 MET 63 4.638 17.905 4.948 491 HB3 MET 63 HB3 MET 63 5.501 17.949 3.423 492 HG2 MET 63 HG2 MET 63 5.303 20.310 3.224 493 HG3 MET 63 HG3 MET 63 3.939 20.390 4.321 494 HE1 MET 63 HE1 MET 63 5.871 22.439 4.732 495 HE2 MET 63 HE2 MET 63 4.794 22.147 6.120 496 HE3 MET 63 HE3 MET 63 6.545 22.338 6.377 497 H ARG 64 H ARG 64 4.722 15.908 3.097 498 HA ARG 64 HA ARG 64 3.779 14.896 0.748 499 HB2 ARG 64 HB2 ARG 64 4.817 16.836 -0.387 500 HB3 ARG 64 HB3 ARG 64 6.354 16.509 0.389 501 HG2 ARG 64 HG2 ARG 64 6.650 14.444 -0.838 502 HG3 ARG 64 HG3 ARG 64 4.986 14.446 -1.387 503 HD2 ARG 64 HD2 ARG 64 5.514 15.723 -3.193 504 HD3 ARG 64 HD3 ARG 64 6.255 16.945 -2.179 505 HE ARG 64 HE ARG 64 7.634 14.704 -3.525 506 HH11 ARG 64 HH22 ARG 64 7.867 17.320 -1.148 507 HH12 ARG 64 HH21 ARG 64 9.598 17.362 -1.180 508 HH21 ARG 64 HH12 ARG 64 9.882 14.768 -3.558 509 HH22 ARG 64 HH11 ARG 64 10.748 15.896 -2.566 510 H VAL 65 H VAL 65 7.249 15.423 1.707 511 HA VAL 65 HA VAL 65 7.758 12.635 1.722 512 HB VAL 65 HB VAL 65 9.321 15.047 2.656 513 HG11 VAL 65 HG11 VAL 65 11.243 13.686 2.945 514 HG12 VAL 65 HG12 VAL 65 9.929 12.865 3.822 515 HG13 VAL 65 HG13 VAL 65 10.443 12.267 2.226 516 HG21 VAL 65 HG21 VAL 65 10.549 13.780 0.455 517 HG22 VAL 65 HG22 VAL 65 8.813 13.853 0.072 518 HG23 VAL 65 HG23 VAL 65 9.698 15.343 0.477 519 H ALA 66 H ALA 66 7.140 15.144 4.235 520 HA ALA 66 HA ALA 66 7.750 13.710 6.478 521 HB1 ALA 66 HB1 ALA 66 6.358 16.096 5.774 522 HB2 ALA 66 HB2 ALA 66 5.314 15.193 6.898 523 HB3 ALA 66 HB3 ALA 66 6.976 15.618 7.373 524 H ALA 67 H ALA 67 4.472 13.922 4.908 525 HA ALA 67 HA ALA 67 3.295 11.982 6.498 526 HB1 ALA 67 HB1 ALA 67 1.988 11.825 4.061 527 HB2 ALA 67 HB2 ALA 67 1.647 13.014 5.341 528 HB3 ALA 67 HB3 ALA 67 2.736 13.439 3.999 529 H GLN 68 H GLN 68 5.592 11.740 3.844 530 HA GLN 68 HA GLN 68 4.935 9.107 3.125 531 HB2 GLN 68 HB2 GLN 68 6.471 11.064 2.015 532 HB3 GLN 68 HB3 GLN 68 7.736 10.089 2.736 533 HG2 GLN 68 HG2 GLN 68 6.641 8.045 1.614 534 HG3 GLN 68 HG3 GLN 68 5.624 9.171 0.736 535 HE21 GLN 68 HE21 GLN 68 7.563 7.315 -0.297 536 HE22 GLN 68 HE22 GLN 68 8.758 8.213 -1.172 537 H GLY 69 H GLY 69 7.115 10.608 5.535 538 HA2 GLY 69 HA2 GLY 69 8.504 8.200 6.192 539 HA3 GLY 69 HA3 GLY 69 8.497 9.710 7.082 540 H PHE 70 H PHE 70 5.881 10.143 7.805 541 HA PHE 70 HA PHE 70 5.554 8.451 9.966 542 HB2 PHE 70 HB2 PHE 70 4.088 10.590 8.462 543 HB3 PHE 70 HB3 PHE 70 3.025 9.531 9.368 544 HD1 PHE 70 HD1 PHE 70 3.130 9.456 11.812 545 HD2 PHE 70 HD2 PHE 70 5.603 12.097 9.595 546 HE1 PHE 70 HE1 PHE 70 3.615 10.756 13.903 547 HE2 PHE 70 HE2 PHE 70 6.088 13.398 11.687 548 HZ PHE 70 HZ PHE 70 5.089 12.712 13.816 549 H VAL 71 H VAL 71 3.828 8.512 6.775 550 HA VAL 71 HA VAL 71 2.102 6.396 7.386 551 HB VAL 71 HB VAL 71 3.128 7.617 4.830 552 HG11 VAL 71 HG11 VAL 71 1.238 6.346 3.712 553 HG12 VAL 71 HG12 VAL 71 2.653 5.375 4.185 554 HG13 VAL 71 HG13 VAL 71 1.171 5.329 5.171 555 HG21 VAL 71 HG21 VAL 71 1.488 9.095 5.137 556 HG22 VAL 71 HG22 VAL 71 0.286 7.786 5.247 557 HG23 VAL 71 HG23 VAL 71 1.134 8.341 6.711 558 H VAL 72 H VAL 72 5.208 6.468 5.497 559 HA VAL 72 HA VAL 72 5.454 3.887 4.832 560 HB VAL 72 HB VAL 72 7.375 5.994 5.704 561 HG11 VAL 72 HG11 VAL 72 8.748 4.388 6.547 562 HG12 VAL 72 HG12 VAL 72 7.967 3.078 5.629 563 HG13 VAL 72 HG13 VAL 72 9.137 4.153 4.826 564 HG21 VAL 72 HG21 VAL 72 7.645 4.471 3.160 565 HG22 VAL 72 HG22 VAL 72 6.193 5.484 3.342 566 HG23 VAL 72 HG23 VAL 72 7.810 6.214 3.480 567 H GLY 73 H GLY 73 6.330 5.293 8.062 568 HA2 GLY 73 HA2 GLY 73 7.178 2.932 9.264 569 HA3 GLY 73 HA3 GLY 73 6.524 4.336 10.084 570 H ALA 74 H ALA 74 3.912 4.538 9.458 571 HA ALA 74 HA ALA 74 2.640 2.694 10.988 572 HB1 ALA 74 HB1 ALA 74 1.217 3.847 8.603 573 HB2 ALA 74 HB2 ALA 74 0.693 3.748 10.302 574 HB3 ALA 74 HB3 ALA 74 1.904 4.958 9.813 575 H MET 75 H MET 75 2.810 2.687 7.353 576 HA MET 75 HA MET 75 1.479 0.353 6.968 577 HB2 MET 75 HB2 MET 75 3.679 1.848 5.512 578 HB3 MET 75 HB3 MET 75 3.252 0.256 4.916 579 HG2 MET 75 HG2 MET 75 0.956 0.913 4.511 580 HG3 MET 75 HG3 MET 75 1.140 2.394 5.429 581 HE1 MET 75 HE1 MET 75 -0.019 1.985 2.567 582 HE2 MET 75 HE2 MET 75 0.084 3.677 3.109 583 HE3 MET 75 HE3 MET 75 0.726 3.212 1.515 584 H THR 76 H THR 76 5.100 0.740 7.123 585 HA THR 76 HA THR 76 5.892 -1.818 6.915 586 HB THR 76 HB THR 76 6.829 0.483 8.683 587 HG1 THR 76 HG1 THR 76 6.981 0.499 6.289 588 HG21 THR 76 HG21 THR 76 9.047 -1.109 8.311 589 HG22 THR 76 HG22 THR 76 8.093 -1.095 9.814 590 HG23 THR 76 HG23 THR 76 7.798 -2.347 8.584 591 H VAL 77 H VAL 77 4.480 -0.319 9.871 592 HA VAL 77 HA VAL 77 4.858 -2.590 11.477 593 HB VAL 77 HB VAL 77 2.937 -0.262 11.612 594 HG11 VAL 77 HG11 VAL 77 2.872 -2.710 13.093 595 HG12 VAL 77 HG12 VAL 77 3.389 -1.404 14.186 596 HG13 VAL 77 HG13 VAL 77 1.859 -1.259 13.288 597 HG21 VAL 77 HG21 VAL 77 5.683 -0.335 11.956 598 HG22 VAL 77 HG22 VAL 77 4.580 0.907 12.596 599 HG23 VAL 77 HG23 VAL 77 5.062 -0.467 13.619 600 H GLY 78 H GLY 78 2.042 -1.398 9.529 601 HA2 GLY 78 HA2 GLY 78 0.221 -3.373 10.169 602 HA3 GLY 78 HA3 GLY 78 0.290 -2.498 8.652 603 H MET 79 H MET 79 2.670 -3.317 7.479 604 HA MET 79 HA MET 79 1.942 -5.797 6.479 605 HB2 MET 79 HB2 MET 79 3.730 -3.728 5.836 606 HB3 MET 79 HB3 MET 79 4.816 -5.048 6.222 607 HG2 MET 79 HG2 MET 79 4.469 -5.647 4.030 608 HG3 MET 79 HG3 MET 79 3.012 -6.390 4.657 609 HE1 MET 79 HE1 MET 79 0.162 -4.462 3.433 610 HE2 MET 79 HE2 MET 79 0.940 -5.954 2.852 611 HE3 MET 79 HE3 MET 79 0.838 -5.625 4.598 612 H GLY 80 H GLY 80 4.585 -4.822 8.764 613 HA2 GLY 80 HA2 GLY 80 5.857 -7.222 9.108 614 HA3 GLY 80 HA3 GLY 80 5.662 -6.001 10.350 615 H TYR 81 H TYR 81 2.775 -6.066 10.602 616 HA TYR 81 HA TYR 81 2.568 -8.481 12.174 617 HB2 TYR 81 HB2 TYR 81 1.231 -5.805 11.759 618 HB3 TYR 81 HB3 TYR 81 0.154 -7.084 12.283 619 HD1 TYR 81 HD2 TYR 81 0.647 -8.296 14.460 620 HD2 TYR 81 HD1 TYR 81 2.710 -4.736 13.287 621 HE1 TYR 81 HE2 TYR 81 1.386 -7.923 16.863 622 HE2 TYR 81 HE1 TYR 81 3.442 -4.376 15.695 623 HH TYR 81 HH TYR 81 3.314 -6.750 17.991 624 H SER 82 H SER 82 1.633 -7.327 9.009 625 HA SER 82 HA SER 82 0.134 -8.009 7.548 626 HB2 SER 82 HB2 SER 82 2.098 -9.796 7.752 627 HB3 SER 82 HB3 SER 82 0.814 -10.854 8.300 628 HG SER 82 HG SER 82 -0.228 -9.725 6.163 629 H MET 83 H MET 83 -1.873 -7.361 8.544 630 HA MET 83 HA MET 83 -3.215 -8.436 10.534 631 HB2 MET 83 HB2 MET 83 -4.068 -7.367 7.828 632 HB3 MET 83 HB3 MET 83 -5.315 -8.031 8.865 633 HG2 MET 83 HG2 MET 83 -4.806 -6.449 10.643 634 HG3 MET 83 HG3 MET 83 -3.335 -5.927 9.847 635 HE1 MET 83 HE1 MET 83 -4.950 -2.779 9.474 636 HE2 MET 83 HE2 MET 83 -3.595 -3.826 9.959 637 HE3 MET 83 HE3 MET 83 -3.741 -3.283 8.270 638 H TYR 84 H TYR 84 -3.189 -9.770 7.166 639 HA TYR 84 HA TYR 84 -5.018 -11.719 7.290 640 HB2 TYR 84 HB2 TYR 84 -2.948 -10.984 5.660 641 HB3 TYR 84 HB3 TYR 84 -2.180 -12.375 6.399 642 HD1 TYR 84 HD1 TYR 84 -5.119 -11.308 4.384 643 HD2 TYR 84 HD2 TYR 84 -2.718 -14.591 5.713 644 HE1 TYR 84 HE1 TYR 84 -6.287 -12.842 2.728 645 HE2 TYR 84 HE2 TYR 84 -3.895 -16.114 4.052 646 HH TYR 84 HH TYR 84 -6.665 -15.600 2.788 647 H ARG 85 H ARG 85 -1.656 -11.944 8.631 648 HA ARG 85 HA ARG 85 -2.582 -14.324 10.028 649 HB2 ARG 85 HB2 ARG 85 -0.392 -14.092 8.354 650 HB3 ARG 85 HB3 ARG 85 0.355 -13.779 9.908 651 HG2 ARG 85 HG2 ARG 85 -1.539 -16.113 9.741 652 HG3 ARG 85 HG3 ARG 85 0.013 -16.285 8.944 653 HD2 ARG 85 HD2 ARG 85 1.198 -16.287 10.936 654 HD3 ARG 85 HD3 ARG 85 0.119 -15.142 11.709 655 HE ARG 85 HE ARG 85 -1.159 -16.928 12.521 656 HH11 ARG 85 HH22 ARG 85 0.899 -18.106 9.888 657 HH12 ARG 85 HH21 ARG 85 0.487 -19.769 10.144 658 HH21 ARG 85 HH12 ARG 85 -1.685 -19.091 12.842 659 HH22 ARG 85 HH11 ARG 85 -0.995 -20.326 11.840 660 H GLU 86 H GLU 86 -2.546 -14.298 12.286 661 HA GLU 86 HA GLU 86 -2.555 -12.050 13.690 662 HB2 GLU 86 HB2 GLU 86 -2.085 -14.903 14.313 663 HB3 GLU 86 HB3 GLU 86 -1.423 -13.820 15.522 664 HG2 GLU 86 HG2 GLU 86 -3.589 -12.732 15.844 665 HG3 GLU 86 HG3 GLU 86 -4.279 -13.579 14.474 666 H PHE 87 H PHE 87 0.377 -14.194 13.404 667 HA PHE 87 HA PHE 87 2.009 -11.785 13.563 668 HB2 PHE 87 HB2 PHE 87 3.450 -13.004 15.255 669 HB3 PHE 87 HB3 PHE 87 1.834 -12.720 15.871 670 HD1 PHE 87 HD1 PHE 87 3.867 -15.321 14.145 671 HD2 PHE 87 HD2 PHE 87 0.602 -14.495 16.727 672 HE1 PHE 87 HE1 PHE 87 3.612 -17.775 14.608 673 HE2 PHE 87 HE2 PHE 87 0.348 -16.949 17.190 674 HZ PHE 87 HZ PHE 87 1.856 -18.559 16.125 675 H TRP 88 H TRP 88 4.169 -12.059 12.672 676 HA TRP 88 HA TRP 88 4.416 -14.515 11.071 677 HB2 TRP 88 HB2 TRP 88 4.321 -11.738 10.238 678 HB3 TRP 88 HB3 TRP 88 5.828 -12.492 9.759 679 HD1 TRP 88 HD1 TRP 88 2.121 -12.497 8.912 680 HE1 TRP 88 HE1 TRP 88 1.587 -14.013 6.818 681 HE3 TRP 88 HE3 TRP 88 6.710 -14.672 8.657 682 HZ2 TRP 88 HZ2 TRP 88 3.110 -15.908 5.324 683 HZ3 TRP 88 HZ3 TRP 88 7.104 -16.345 6.851 684 HH2 TRP 88 HH2 TRP 88 5.394 -16.972 5.220 685 H ALA 89 H ALA 89 5.694 -15.469 12.787 686 HA ALA 89 HA ALA 89 7.996 -14.049 13.746 687 HB1 ALA 89 HB1 ALA 89 8.405 -16.409 14.771 688 HB2 ALA 89 HB2 ALA 89 6.996 -15.475 15.328 689 HB3 ALA 89 HB3 ALA 89 6.782 -16.791 14.148 690 H LYS 90 H LYS 90 9.916 -13.907 12.707 691 HA LYS 90 HA LYS 90 10.323 -15.496 10.350 692 HB2 LYS 90 HB2 LYS 90 12.267 -14.099 10.008 693 HB3 LYS 90 HB3 LYS 90 10.888 -13.101 10.421 694 HG2 LYS 90 HG2 LYS 90 12.177 -13.849 12.887 695 HG3 LYS 90 HG3 LYS 90 13.428 -13.308 11.786 696 HD2 LYS 90 HD2 LYS 90 12.407 -11.158 11.490 697 HD3 LYS 90 HD3 LYS 90 10.873 -11.700 12.143 698 HE2 LYS 90 HE2 LYS 90 12.514 -12.214 14.288 699 HE3 LYS 90 HE3 LYS 90 13.354 -10.848 13.581 700 HZ1 LYS 90 HZ1 LYS 90 11.178 -10.651 15.187 701 HZ2 LYS 90 HZ2 LYS 90 11.694 -9.463 14.200 702 HZ3 LYS 90 HZ3 LYS 90 10.538 -10.502 13.688 703 HA PRO 91 HA PRO 91 12.788 -18.542 12.156 704 HB2 PRO 91 HB2 PRO 91 14.411 -19.277 10.084 705 HB3 PRO 91 HB3 PRO 91 12.754 -19.822 10.242 706 HG2 PRO 91 HG2 PRO 91 13.869 -17.790 8.408 707 HG3 PRO 91 HG3 PRO 91 12.343 -18.644 8.302 708 HD2 PRO 91 HD2 PRO 91 12.737 -15.934 9.154 709 HD3 PRO 91 HD3 PRO 91 11.228 -16.825 9.158 710 H LYS 92 H LYS 92 14.154 -18.282 13.794 711 HA LYS 92 HA LYS 92 16.237 -16.330 13.424 712 HB2 LYS 92 HB2 LYS 92 14.698 -17.102 15.559 713 HB3 LYS 92 HB3 LYS 92 16.200 -17.940 15.896 714 HG2 LYS 92 HG2 LYS 92 17.111 -15.438 15.086 715 HG3 LYS 92 HG3 LYS 92 15.620 -15.028 15.910 716 HD2 LYS 92 HD2 LYS 92 16.832 -15.148 17.835 717 HD3 LYS 92 HD3 LYS 92 16.725 -16.887 17.653 718 HE2 LYS 92 HE2 LYS 92 18.887 -17.039 16.635 719 HE3 LYS 92 HE3 LYS 92 18.930 -15.328 16.257 720 HZ1 LYS 92 HZ1 LYS 92 20.070 -15.153 18.182 721 HZ2 LYS 92 HZ2 LYS 92 18.661 -15.365 18.971 722 HZ3 LYS 92 HZ3 LYS 92 19.622 -16.653 18.659 723 HA PRO 93 HA PRO 93 18.981 -19.472 12.101 724 HB2 PRO 93 HB2 PRO 93 20.999 -17.818 11.288 725 HB3 PRO 93 HB3 PRO 93 19.652 -18.263 10.260 726 HG2 PRO 93 HG2 PRO 93 20.155 -15.704 11.651 727 HG3 PRO 93 HG3 PRO 93 19.075 -16.031 10.310 728 HD2 PRO 93 HD2 PRO 93 18.338 -15.666 13.058 729 HD3 PRO 93 HD3 PRO 93 17.274 -16.107 11.737 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -15.070 -21.894 -0.110 2 HA MET 1 HA MET 1 -16.295 -20.862 1.407 3 HB2 MET 1 HB2 MET 1 -16.246 -23.563 2.494 4 HB3 MET 1 HB3 MET 1 -16.020 -22.438 3.819 5 HG2 MET 1 HG2 MET 1 -18.403 -22.740 3.596 6 HG3 MET 1 HG3 MET 1 -18.055 -21.145 2.960 7 HE1 MET 1 HE1 MET 1 -20.125 -23.625 2.793 8 HE2 MET 1 HE2 MET 1 -20.703 -23.810 1.120 9 HE3 MET 1 HE3 MET 1 -19.407 -24.864 1.735 10 H SER 2 H SER 2 -14.578 -19.281 1.358 11 HA SER 2 HA SER 2 -13.339 -19.005 3.899 12 HB2 SER 2 HB2 SER 2 -11.762 -20.506 2.523 13 HB3 SER 2 HB3 SER 2 -11.495 -19.125 1.479 14 HG SER 2 HG SER 2 -10.543 -19.627 4.073 15 H THR 3 H THR 3 -12.581 -16.797 4.239 16 HA THR 3 HA THR 3 -13.796 -14.941 2.357 17 HB THR 3 HB THR 3 -14.237 -14.818 4.831 18 HG1 THR 3 HG1 THR 3 -13.874 -12.529 4.761 19 HG21 THR 3 HG21 THR 3 -11.612 -15.404 5.251 20 HG22 THR 3 HG22 THR 3 -11.501 -13.628 5.229 21 HG23 THR 3 HG23 THR 3 -12.560 -14.439 6.407 22 H ASP 4 H ASP 4 -11.941 -15.921 0.846 23 HA ASP 4 HA ASP 4 -10.317 -13.794 0.290 24 HB2 ASP 4 HB2 ASP 4 -9.178 -15.713 2.239 25 HB3 ASP 4 HB3 ASP 4 -8.159 -15.495 0.830 26 H THR 5 H THR 5 -11.118 -14.428 -1.824 27 HA THR 5 HA THR 5 -9.509 -16.222 -3.257 28 HB THR 5 HB THR 5 -10.750 -17.972 -2.033 29 HG1 THR 5 HG1 THR 5 -11.748 -18.868 -4.039 30 HG21 THR 5 HG21 THR 5 -13.099 -18.096 -1.915 31 HG22 THR 5 HG22 THR 5 -12.864 -16.336 -1.794 32 HG23 THR 5 HG23 THR 5 -13.321 -17.068 -3.351 33 H GLY 6 H GLY 6 -12.771 -14.698 -3.007 34 HA2 GLY 6 HA2 GLY 6 -12.344 -12.989 -5.179 35 HA3 GLY 6 HA3 GLY 6 -13.162 -14.416 -5.781 36 H VAL 7 H VAL 7 -14.774 -12.463 -6.173 37 HA VAL 7 HA VAL 7 -16.592 -11.309 -5.598 38 HB VAL 7 HB VAL 7 -17.103 -13.929 -4.177 39 HG11 VAL 7 HG11 VAL 7 -18.602 -11.632 -3.914 40 HG12 VAL 7 HG12 VAL 7 -19.413 -12.467 -5.260 41 HG13 VAL 7 HG13 VAL 7 -19.205 -13.292 -3.697 42 HG21 VAL 7 HG21 VAL 7 -17.756 -12.995 -6.992 43 HG22 VAL 7 HG22 VAL 7 -16.580 -14.247 -6.528 44 HG23 VAL 7 HG23 VAL 7 -18.319 -14.517 -6.260 45 H SER 8 H SER 8 -15.007 -9.899 -4.293 46 HA SER 8 HA SER 8 -15.064 -10.259 -1.489 47 HB2 SER 8 HB2 SER 8 -14.289 -7.755 -3.044 48 HB3 SER 8 HB3 SER 8 -13.811 -8.163 -1.409 49 HG SER 8 HG SER 8 -12.906 -10.222 -2.584 50 H LEU 9 H LEU 9 -15.833 -8.357 -0.015 51 HA LEU 9 HA LEU 9 -18.545 -8.099 -0.181 52 HB2 LEU 9 HB2 LEU 9 -16.491 -7.308 1.532 53 HB3 LEU 9 HB3 LEU 9 -17.302 -5.814 1.108 54 HG LEU 9 HG LEU 9 -19.489 -7.100 1.718 55 HD11 LEU 9 HD11 LEU 9 -19.247 -9.213 2.353 56 HD12 LEU 9 HD12 LEU 9 -17.473 -9.067 2.372 57 HD13 LEU 9 HD13 LEU 9 -18.418 -8.622 3.813 58 HD21 LEU 9 HD21 LEU 9 -19.483 -6.071 3.773 59 HD22 LEU 9 HD22 LEU 9 -17.789 -6.502 4.112 60 HD23 LEU 9 HD23 LEU 9 -18.163 -5.203 2.954 61 HA PRO 10 HA PRO 10 -17.922 -3.984 -2.414 62 HB2 PRO 10 HB2 PRO 10 -15.443 -3.253 -3.303 63 HB3 PRO 10 HB3 PRO 10 -16.114 -2.706 -1.779 64 HG2 PRO 10 HG2 PRO 10 -14.026 -4.742 -2.260 65 HG3 PRO 10 HG3 PRO 10 -14.404 -3.886 -0.778 66 HD2 PRO 10 HD2 PRO 10 -15.093 -6.596 -1.419 67 HD3 PRO 10 HD3 PRO 10 -15.571 -5.703 0.012 68 H SER 11 H SER 11 -17.479 -3.143 -4.751 69 HA SER 11 HA SER 11 -18.484 -4.928 -6.438 70 HB2 SER 11 HB2 SER 11 -17.331 -2.373 -6.638 71 HB3 SER 11 HB3 SER 11 -16.414 -3.328 -7.786 72 HG SER 11 HG SER 11 -19.300 -3.389 -7.717 73 H TYR 12 H TYR 12 -17.775 -6.642 -7.761 74 HA TYR 12 HA TYR 12 -14.918 -7.307 -7.552 75 HB2 TYR 12 HB2 TYR 12 -15.800 -9.711 -7.454 76 HB3 TYR 12 HB3 TYR 12 -16.287 -8.759 -6.066 77 HD1 TYR 12 HD2 TYR 12 -18.637 -7.836 -5.958 78 HD2 TYR 12 HD1 TYR 12 -17.414 -10.643 -8.946 79 HE1 TYR 12 HE2 TYR 12 -21.070 -8.399 -6.435 80 HE2 TYR 12 HE1 TYR 12 -19.852 -11.197 -9.412 81 HH TYR 12 HH TYR 12 -22.312 -9.325 -8.593 82 H GLU 13 H GLU 13 -15.642 -5.811 -9.689 83 HA GLU 13 HA GLU 13 -15.585 -7.804 -11.785 84 HB2 GLU 13 HB2 GLU 13 -17.239 -6.606 -13.144 85 HB3 GLU 13 HB3 GLU 13 -17.953 -7.072 -11.613 86 HG2 GLU 13 HG2 GLU 13 -17.326 -4.722 -10.748 87 HG3 GLU 13 HG3 GLU 13 -16.936 -4.309 -12.406 88 H GLU 14 H GLU 14 -13.988 -7.358 -13.266 89 HA GLU 14 HA GLU 14 -13.380 -4.833 -14.160 90 HB2 GLU 14 HB2 GLU 14 -12.403 -5.088 -11.585 91 HB3 GLU 14 HB3 GLU 14 -11.014 -5.586 -12.530 92 HG2 GLU 14 HG2 GLU 14 -11.543 -3.432 -13.976 93 HG3 GLU 14 HG3 GLU 14 -12.474 -2.928 -12.579 94 H ASP 15 H ASP 15 -11.651 -7.859 -13.106 95 HA ASP 15 HA ASP 15 -10.577 -9.375 -14.226 96 HB2 ASP 15 HB2 ASP 15 -12.595 -8.548 -16.050 97 HB3 ASP 15 HB3 ASP 15 -11.123 -8.600 -17.000 98 H GLN 16 H GLN 16 -8.448 -8.553 -13.787 99 HA GLN 16 HA GLN 16 -6.891 -7.883 -15.921 100 HB2 GLN 16 HB2 GLN 16 -8.296 -5.567 -14.821 101 HB3 GLN 16 HB3 GLN 16 -6.563 -5.369 -14.655 102 HG2 GLN 16 HG2 GLN 16 -7.701 -6.345 -17.289 103 HG3 GLN 16 HG3 GLN 16 -7.780 -4.638 -16.899 104 HE21 GLN 16 HE21 GLN 16 -5.840 -3.487 -16.446 105 HE22 GLN 16 HE22 GLN 16 -4.321 -3.981 -17.117 106 H GLY 17 H GLY 17 -7.420 -7.057 -12.427 107 HA2 GLY 17 HA2 GLY 17 -4.948 -6.810 -11.438 108 HA3 GLY 17 HA3 GLY 17 -6.211 -7.707 -10.619 109 H SER 18 H SER 18 -6.562 -10.060 -11.771 110 HA SER 18 HA SER 18 -4.517 -11.598 -11.020 111 HB2 SER 18 HB2 SER 18 -6.755 -11.937 -12.986 112 HB3 SER 18 HB3 SER 18 -5.494 -13.153 -13.023 113 HG SER 18 HG SER 18 -7.348 -13.572 -11.532 114 H LYS 19 H LYS 19 -5.077 -10.225 -14.325 115 HA LYS 19 HA LYS 19 -2.961 -11.460 -15.603 116 HB2 LYS 19 HB2 LYS 19 -4.952 -9.654 -16.262 117 HB3 LYS 19 HB3 LYS 19 -3.494 -8.708 -16.477 118 HG2 LYS 19 HG2 LYS 19 -3.536 -9.723 -18.554 119 HG3 LYS 19 HG3 LYS 19 -2.641 -10.959 -17.692 120 HD2 LYS 19 HD2 LYS 19 -4.834 -12.138 -17.207 121 HD3 LYS 19 HD3 LYS 19 -5.655 -10.944 -18.192 122 HE2 LYS 19 HE2 LYS 19 -3.508 -11.836 -19.810 123 HE3 LYS 19 HE3 LYS 19 -4.103 -13.290 -19.033 124 HZ1 LYS 19 HZ1 LYS 19 -5.969 -11.382 -20.314 125 HZ2 LYS 19 HZ2 LYS 19 -5.261 -12.572 -21.171 126 HZ3 LYS 19 HZ3 LYS 19 -6.203 -12.943 -19.886 127 H LEU 20 H LEU 20 -3.081 -8.380 -13.716 128 HA LEU 20 HA LEU 20 -0.412 -7.686 -14.203 129 HB2 LEU 20 HB2 LEU 20 -2.654 -6.733 -12.681 130 HB3 LEU 20 HB3 LEU 20 -1.213 -6.685 -11.686 131 HG LEU 20 HG LEU 20 -0.392 -5.616 -14.140 132 HD11 LEU 20 HD11 LEU 20 -2.035 -4.492 -15.132 133 HD12 LEU 20 HD12 LEU 20 -3.166 -5.437 -14.134 134 HD13 LEU 20 HD13 LEU 20 -2.623 -3.833 -13.587 135 HD21 LEU 20 HD21 LEU 20 -0.572 -3.414 -12.745 136 HD22 LEU 20 HD22 LEU 20 -1.024 -4.515 -11.422 137 HD23 LEU 20 HD23 LEU 20 0.545 -4.705 -12.240 138 H ILE 21 H ILE 21 -1.943 -10.044 -12.081 139 HA ILE 21 HA ILE 21 0.403 -10.283 -10.420 140 HB ILE 21 HB ILE 21 -2.215 -11.778 -10.546 141 HG12 ILE 21 HG12 ILE 21 -1.390 -10.182 -8.179 142 HG13 ILE 21 HG13 ILE 21 -1.783 -9.271 -9.623 143 HG21 ILE 21 HG21 ILE 21 0.222 -12.218 -8.830 144 HG22 ILE 21 HG22 ILE 21 -1.409 -12.647 -8.261 145 HG23 ILE 21 HG23 ILE 21 -0.752 -13.403 -9.732 146 HD11 ILE 21 HD11 ILE 21 -4.012 -9.874 -9.577 147 HD12 ILE 21 HD12 ILE 21 -3.668 -11.491 -8.918 148 HD13 ILE 21 HD13 ILE 21 -3.663 -10.072 -7.843 149 H ARG 22 H ARG 22 -0.801 -11.504 -13.450 150 HA ARG 22 HA ARG 22 0.266 -14.019 -13.444 151 HB2 ARG 22 HB2 ARG 22 -1.159 -12.625 -15.236 152 HB3 ARG 22 HB3 ARG 22 0.414 -12.306 -15.939 153 HG2 ARG 22 HG2 ARG 22 0.652 -14.995 -15.562 154 HG3 ARG 22 HG3 ARG 22 -1.089 -14.896 -15.736 155 HD2 ARG 22 HD2 ARG 22 -0.208 -13.253 -17.809 156 HD3 ARG 22 HD3 ARG 22 1.034 -14.489 -17.772 157 HE ARG 22 HE ARG 22 -1.738 -15.501 -17.674 158 HH11 ARG 22 HH22 ARG 22 1.051 -14.729 -19.719 159 HH12 ARG 22 HH21 ARG 22 0.528 -15.737 -21.027 160 HH21 ARG 22 HH12 ARG 22 -2.405 -16.806 -19.381 161 HH22 ARG 22 HH11 ARG 22 -1.456 -16.925 -20.826 162 H LYS 23 H LYS 23 1.779 -10.816 -13.972 163 HA LYS 23 HA LYS 23 4.123 -11.497 -15.175 164 HB2 LYS 23 HB2 LYS 23 3.297 -9.369 -13.240 165 HB3 LYS 23 HB3 LYS 23 5.005 -9.554 -13.583 166 HG2 LYS 23 HG2 LYS 23 4.364 -9.520 -16.091 167 HG3 LYS 23 HG3 LYS 23 2.768 -9.007 -15.579 168 HD2 LYS 23 HD2 LYS 23 4.669 -7.367 -14.178 169 HD3 LYS 23 HD3 LYS 23 5.172 -7.415 -15.856 170 HE2 LYS 23 HE2 LYS 23 2.300 -6.819 -15.008 171 HE3 LYS 23 HE3 LYS 23 3.500 -5.563 -15.245 172 HZ1 LYS 23 HZ1 LYS 23 2.459 -5.760 -17.320 173 HZ2 LYS 23 HZ2 LYS 23 3.804 -6.650 -17.548 174 HZ3 LYS 23 HZ3 LYS 23 2.383 -7.390 -17.217 175 H ALA 24 H ALA 24 4.278 -10.760 -11.660 176 HA ALA 24 HA ALA 24 6.431 -12.545 -11.311 177 HB1 ALA 24 HB1 ALA 24 4.927 -10.557 -9.793 178 HB2 ALA 24 HB2 ALA 24 5.322 -11.977 -8.794 179 HB3 ALA 24 HB3 ALA 24 6.620 -11.077 -9.614 180 H LYS 25 H LYS 25 5.862 -13.884 -8.893 181 HA LYS 25 HA LYS 25 3.593 -15.599 -9.566 182 HB2 LYS 25 HB2 LYS 25 6.453 -16.338 -9.617 183 HB3 LYS 25 HB3 LYS 25 5.434 -17.429 -8.701 184 HG2 LYS 25 HG2 LYS 25 4.378 -18.214 -10.573 185 HG3 LYS 25 HG3 LYS 25 4.198 -16.611 -11.259 186 HD2 LYS 25 HD2 LYS 25 6.465 -16.632 -12.134 187 HD3 LYS 25 HD3 LYS 25 6.876 -18.069 -11.219 188 HE2 LYS 25 HE2 LYS 25 4.735 -19.034 -12.620 189 HE3 LYS 25 HE3 LYS 25 5.290 -17.816 -13.752 190 HZ1 LYS 25 HZ1 LYS 25 7.606 -18.920 -13.246 191 HZ2 LYS 25 HZ2 LYS 25 6.707 -20.211 -12.824 192 HZ3 LYS 25 HZ3 LYS 25 6.557 -19.569 -14.321 193 H GLU 26 H GLU 26 6.267 -15.853 -7.147 194 HA GLU 26 HA GLU 26 4.609 -16.477 -5.080 195 HB2 GLU 26 HB2 GLU 26 6.576 -15.600 -3.633 196 HB3 GLU 26 HB3 GLU 26 6.911 -16.897 -4.763 197 HG2 GLU 26 HG2 GLU 26 7.228 -14.378 -6.154 198 HG3 GLU 26 HG3 GLU 26 8.118 -14.289 -4.648 199 H ALA 27 H ALA 27 5.362 -13.330 -6.510 200 HA ALA 27 HA ALA 27 4.679 -11.270 -6.072 201 HB1 ALA 27 HB1 ALA 27 2.478 -12.004 -6.507 202 HB2 ALA 27 HB2 ALA 27 2.388 -12.927 -4.987 203 HB3 ALA 27 HB3 ALA 27 2.341 -11.148 -4.952 204 HA PRO 28 HA PRO 28 6.262 -11.500 -1.799 205 HB2 PRO 28 HB2 PRO 28 8.787 -10.554 -2.241 206 HB3 PRO 28 HB3 PRO 28 8.405 -12.262 -2.156 207 HG2 PRO 28 HG2 PRO 28 9.000 -10.613 -4.536 208 HG3 PRO 28 HG3 PRO 28 9.037 -12.357 -4.372 209 HD2 PRO 28 HD2 PRO 28 6.994 -10.796 -5.643 210 HD3 PRO 28 HD3 PRO 28 6.976 -12.528 -5.377 211 H PHE 29 H PHE 29 7.934 -9.490 -0.850 212 HA PHE 29 HA PHE 29 6.055 -7.303 -1.123 213 HB2 PHE 29 HB2 PHE 29 7.519 -6.422 0.788 214 HB3 PHE 29 HB3 PHE 29 6.813 -7.991 1.125 215 HD1 PHE 29 HD2 PHE 29 9.926 -6.275 0.131 216 HD2 PHE 29 HD1 PHE 29 8.180 -9.907 1.459 217 HE1 PHE 29 HE2 PHE 29 12.212 -7.207 0.583 218 HE2 PHE 29 HE1 PHE 29 10.466 -10.840 1.911 219 HZ PHE 29 HZ PHE 29 12.455 -9.479 1.468 220 H VAL 30 H VAL 30 8.948 -8.356 -2.606 221 HA VAL 30 HA VAL 30 10.506 -6.130 -2.821 222 HB VAL 30 HB VAL 30 10.014 -8.590 -4.314 223 HG11 VAL 30 HG11 VAL 30 11.132 -6.196 -5.814 224 HG12 VAL 30 HG12 VAL 30 11.185 -7.885 -6.373 225 HG13 VAL 30 HG13 VAL 30 9.620 -7.062 -6.176 226 HG21 VAL 30 HG21 VAL 30 11.906 -7.953 -2.676 227 HG22 VAL 30 HG22 VAL 30 12.341 -8.840 -4.156 228 HG23 VAL 30 HG23 VAL 30 12.619 -7.084 -4.056 229 HA PRO 31 HA PRO 31 7.679 -4.600 -6.287 230 HB2 PRO 31 HB2 PRO 31 5.290 -5.837 -6.768 231 HB3 PRO 31 HB3 PRO 31 6.752 -6.193 -7.667 232 HG2 PRO 31 HG2 PRO 31 5.434 -7.795 -5.561 233 HG3 PRO 31 HG3 PRO 31 6.619 -8.304 -6.748 234 HD2 PRO 31 HD2 PRO 31 7.091 -7.776 -3.968 235 HD3 PRO 31 HD3 PRO 31 8.294 -8.172 -5.179 236 H VAL 32 H VAL 32 6.511 -5.577 -3.263 237 HA VAL 32 HA VAL 32 4.320 -3.760 -3.203 238 HB VAL 32 HB VAL 32 5.830 -5.256 -1.053 239 HG11 VAL 32 HG11 VAL 32 3.512 -3.366 -0.916 240 HG12 VAL 32 HG12 VAL 32 3.504 -4.797 0.141 241 HG13 VAL 32 HG13 VAL 32 4.844 -3.630 0.235 242 HG21 VAL 32 HG21 VAL 32 4.095 -6.876 -1.138 243 HG22 VAL 32 HG22 VAL 32 3.080 -5.846 -2.176 244 HG23 VAL 32 HG23 VAL 32 4.569 -6.572 -2.827 245 H GLY 33 H GLY 33 7.758 -3.737 -2.118 246 HA2 GLY 33 HA2 GLY 33 7.550 -1.146 -0.903 247 HA3 GLY 33 HA3 GLY 33 9.003 -2.079 -1.201 248 H ILE 34 H ILE 34 8.877 -2.492 -4.002 249 HA ILE 34 HA ILE 34 9.870 -0.030 -4.911 250 HB ILE 34 HB ILE 34 9.074 -2.536 -6.397 251 HG12 ILE 34 HG12 ILE 34 11.822 -1.630 -5.499 252 HG13 ILE 34 HG13 ILE 34 10.825 -2.750 -4.592 253 HG21 ILE 34 HG21 ILE 34 11.106 -0.693 -7.520 254 HG22 ILE 34 HG22 ILE 34 9.876 -1.692 -8.331 255 HG23 ILE 34 HG23 ILE 34 9.414 -0.142 -7.587 256 HD11 ILE 34 HD11 ILE 34 12.478 -3.896 -6.103 257 HD12 ILE 34 HD12 ILE 34 10.790 -4.336 -6.460 258 HD13 ILE 34 HD13 ILE 34 11.646 -3.174 -7.501 259 H ALA 35 H ALA 35 6.904 -1.875 -5.931 260 HA ALA 35 HA ALA 35 5.862 0.232 -7.437 261 HB1 ALA 35 HB1 ALA 35 3.960 -1.145 -7.647 262 HB2 ALA 35 HB2 ALA 35 5.286 -2.301 -7.379 263 HB3 ALA 35 HB3 ALA 35 4.195 -1.873 -6.040 264 H GLY 36 H GLY 36 5.256 -0.830 -4.025 265 HA2 GLY 36 HA2 GLY 36 3.272 0.840 -3.257 266 HA3 GLY 36 HA3 GLY 36 4.620 0.390 -2.232 267 H PHE 37 H PHE 37 6.820 1.663 -3.237 268 HA PHE 37 HA PHE 37 6.442 4.288 -2.385 269 HB2 PHE 37 HB2 PHE 37 8.531 2.564 -2.800 270 HB3 PHE 37 HB3 PHE 37 8.662 3.474 -4.292 271 HD1 PHE 37 HD2 PHE 37 9.102 5.929 -4.201 272 HD2 PHE 37 HD1 PHE 37 9.233 3.498 -0.726 273 HE1 PHE 37 HE2 PHE 37 10.390 7.717 -2.999 274 HE2 PHE 37 HE1 PHE 37 10.521 5.285 0.476 275 HZ PHE 37 HZ PHE 37 11.084 7.374 -0.675 276 H ALA 38 H ALA 38 6.807 2.868 -5.699 277 HA ALA 38 HA ALA 38 6.902 5.190 -7.143 278 HB1 ALA 38 HB1 ALA 38 5.429 2.630 -7.881 279 HB2 ALA 38 HB2 ALA 38 6.114 3.830 -9.003 280 HB3 ALA 38 HB3 ALA 38 7.193 2.847 -7.983 281 H ALA 39 H ALA 39 3.928 3.278 -6.277 282 HA ALA 39 HA ALA 39 2.122 5.114 -7.312 283 HB1 ALA 39 HB1 ALA 39 1.595 3.389 -4.879 284 HB2 ALA 39 HB2 ALA 39 0.491 3.812 -6.210 285 HB3 ALA 39 HB3 ALA 39 1.827 2.669 -6.491 286 H ILE 40 H ILE 40 3.217 4.656 -3.871 287 HA ILE 40 HA ILE 40 1.873 6.619 -2.653 288 HB ILE 40 HB ILE 40 4.725 5.720 -2.328 289 HG12 ILE 40 HG12 ILE 40 2.414 5.234 -0.457 290 HG13 ILE 40 HG13 ILE 40 2.627 4.243 -1.887 291 HG21 ILE 40 HG21 ILE 40 4.906 6.907 -0.269 292 HG22 ILE 40 HG22 ILE 40 4.439 8.081 -1.524 293 HG23 ILE 40 HG23 ILE 40 3.223 7.475 -0.374 294 HD11 ILE 40 HD11 ILE 40 3.736 3.297 0.173 295 HD12 ILE 40 HD12 ILE 40 4.867 3.569 -1.174 296 HD13 ILE 40 HD13 ILE 40 4.816 4.712 0.189 297 H VAL 41 H VAL 41 4.787 7.037 -4.739 298 HA VAL 41 HA VAL 41 5.027 9.795 -4.296 299 HB VAL 41 HB VAL 41 5.886 7.991 -6.563 300 HG11 VAL 41 HG11 VAL 41 6.559 10.897 -6.019 301 HG12 VAL 41 HG12 VAL 41 7.521 9.845 -7.084 302 HG13 VAL 41 HG13 VAL 41 5.822 10.198 -7.480 303 HG21 VAL 41 HG21 VAL 41 6.756 8.005 -3.976 304 HG22 VAL 41 HG22 VAL 41 7.743 7.514 -5.373 305 HG23 VAL 41 HG23 VAL 41 7.879 9.166 -4.724 306 H ALA 42 H ALA 42 3.498 7.914 -7.005 307 HA ALA 42 HA ALA 42 2.574 10.032 -8.466 308 HB1 ALA 42 HB1 ALA 42 1.540 8.397 -9.653 309 HB2 ALA 42 HB2 ALA 42 2.389 7.290 -8.548 310 HB3 ALA 42 HB3 ALA 42 0.702 7.753 -8.221 311 H TYR 43 H TYR 43 0.709 8.205 -5.927 312 HA TYR 43 HA TYR 43 -1.511 9.794 -5.886 313 HB2 TYR 43 HB2 TYR 43 -0.815 7.596 -4.626 314 HB3 TYR 43 HB3 TYR 43 -0.007 8.631 -3.466 315 HD1 TYR 43 HD1 TYR 43 -1.304 10.069 -1.938 316 HD2 TYR 43 HD2 TYR 43 -3.243 7.426 -4.688 317 HE1 TYR 43 HE1 TYR 43 -3.482 10.313 -0.648 318 HE2 TYR 43 HE2 TYR 43 -5.414 7.679 -3.389 319 HH TYR 43 HH TYR 43 -5.495 9.342 -0.321 320 H GLY 44 H GLY 44 1.515 10.188 -3.916 321 HA2 GLY 44 HA2 GLY 44 0.801 12.342 -2.385 322 HA3 GLY 44 HA3 GLY 44 2.419 12.024 -2.980 323 H LEU 45 H LEU 45 1.969 12.302 -5.811 324 HA LEU 45 HA LEU 45 2.086 15.127 -5.991 325 HB2 LEU 45 HB2 LEU 45 3.306 13.317 -7.352 326 HB3 LEU 45 HB3 LEU 45 1.834 13.214 -8.298 327 HG LEU 45 HG LEU 45 2.257 15.903 -8.355 328 HD11 LEU 45 HD11 LEU 45 4.598 16.373 -8.714 329 HD12 LEU 45 HD12 LEU 45 4.376 15.668 -7.095 330 HD13 LEU 45 HD13 LEU 45 5.025 14.670 -8.418 331 HD21 LEU 45 HD21 LEU 45 3.574 15.225 -10.586 332 HD22 LEU 45 HD22 LEU 45 2.890 13.635 -10.170 333 HD23 LEU 45 HD23 LEU 45 1.813 15.034 -10.400 334 H TYR 46 H TYR 46 -0.341 12.607 -6.873 335 HA TYR 46 HA TYR 46 -2.129 14.307 -8.160 336 HB2 TYR 46 HB2 TYR 46 -2.022 11.647 -6.749 337 HB3 TYR 46 HB3 TYR 46 -3.631 12.333 -6.851 338 HD1 TYR 46 HD1 TYR 46 -0.787 11.021 -8.806 339 HD2 TYR 46 HD2 TYR 46 -4.805 12.483 -8.966 340 HE1 TYR 46 HE1 TYR 46 -1.019 10.143 -11.181 341 HE2 TYR 46 HE2 TYR 46 -5.023 11.601 -11.341 342 HH TYR 46 HH TYR 46 -2.358 9.804 -12.848 343 H LYS 47 H LYS 47 -2.207 13.091 -4.729 344 HA LYS 47 HA LYS 47 -4.385 14.560 -3.927 345 HB2 LYS 47 HB2 LYS 47 -3.627 14.141 -1.671 346 HB3 LYS 47 HB3 LYS 47 -3.356 12.718 -2.656 347 HG2 LYS 47 HG2 LYS 47 -0.999 13.105 -2.788 348 HG3 LYS 47 HG3 LYS 47 -1.153 14.780 -2.297 349 HD2 LYS 47 HD2 LYS 47 -2.269 13.488 -0.120 350 HD3 LYS 47 HD3 LYS 47 -1.067 12.316 -0.624 351 HE2 LYS 47 HE2 LYS 47 0.178 14.905 -0.757 352 HE3 LYS 47 HE3 LYS 47 -0.667 14.822 0.776 353 HZ1 LYS 47 HZ1 LYS 47 1.722 13.523 0.071 354 HZ2 LYS 47 HZ2 LYS 47 0.966 13.493 1.513 355 HZ3 LYS 47 HZ3 LYS 47 0.575 12.394 0.366 356 H LEU 48 H LEU 48 -0.970 15.527 -4.339 357 HA LEU 48 HA LEU 48 -0.790 17.798 -2.929 358 HB2 LEU 48 HB2 LEU 48 0.814 16.668 -4.602 359 HB3 LEU 48 HB3 LEU 48 0.078 17.707 -5.806 360 HG LEU 48 HG LEU 48 1.093 19.003 -3.315 361 HD11 LEU 48 HD11 LEU 48 2.789 17.228 -4.228 362 HD12 LEU 48 HD12 LEU 48 3.070 18.442 -5.499 363 HD13 LEU 48 HD13 LEU 48 3.340 18.863 -3.790 364 HD21 LEU 48 HD21 LEU 48 1.884 20.634 -5.193 365 HD22 LEU 48 HD22 LEU 48 0.741 19.721 -6.208 366 HD23 LEU 48 HD23 LEU 48 0.162 20.555 -4.746 367 H LYS 49 H LYS 49 -2.059 17.734 -6.340 368 HA LYS 49 HA LYS 49 -3.161 20.346 -6.006 369 HB2 LYS 49 HB2 LYS 49 -3.007 18.311 -8.199 370 HB3 LYS 49 HB3 LYS 49 -4.218 19.572 -8.317 371 HG2 LYS 49 HG2 LYS 49 -2.659 21.230 -8.657 372 HG3 LYS 49 HG3 LYS 49 -1.531 20.554 -7.498 373 HD2 LYS 49 HD2 LYS 49 -0.526 19.146 -9.073 374 HD3 LYS 49 HD3 LYS 49 -1.976 19.014 -10.048 375 HE2 LYS 49 HE2 LYS 49 -1.220 20.658 -11.413 376 HE3 LYS 49 HE3 LYS 49 -1.217 21.784 -10.070 377 HZ1 LYS 49 HZ1 LYS 49 1.012 20.383 -11.245 378 HZ2 LYS 49 HZ2 LYS 49 1.010 21.768 -10.388 379 HZ3 LYS 49 HZ3 LYS 49 0.965 20.330 -9.611 380 H SER 50 H SER 50 -5.198 20.936 -5.394 381 HA SER 50 HA SER 50 -6.777 19.007 -4.145 382 HB2 SER 50 HB2 SER 50 -6.607 21.558 -3.703 383 HB3 SER 50 HB3 SER 50 -7.731 21.755 -5.033 384 HG SER 50 HG SER 50 -8.404 21.344 -2.543 385 H ARG 51 H ARG 51 -7.549 21.135 -7.006 386 HA ARG 51 HA ARG 51 -9.837 19.995 -7.751 387 HB2 ARG 51 HB2 ARG 51 -7.650 21.449 -9.132 388 HB3 ARG 51 HB3 ARG 51 -8.591 20.449 -10.220 389 HG2 ARG 51 HG2 ARG 51 -9.871 22.388 -8.243 390 HG3 ARG 51 HG3 ARG 51 -9.443 22.849 -9.879 391 HD2 ARG 51 HD2 ARG 51 -10.920 20.339 -9.947 392 HD3 ARG 51 HD3 ARG 51 -11.820 21.514 -9.007 393 HE ARG 51 HE ARG 51 -11.236 21.647 -11.882 394 HH11 ARG 51 HH22 ARG 51 -12.193 23.506 -9.021 395 HH12 ARG 51 HH21 ARG 51 -12.927 24.778 -9.940 396 HH21 ARG 51 HH12 ARG 51 -12.192 23.306 -13.064 397 HH22 ARG 51 HH11 ARG 51 -12.923 24.656 -12.259 398 H GLY 52 H GLY 52 -10.161 17.759 -7.705 399 HA2 GLY 52 HA2 GLY 52 -9.785 16.050 -9.646 400 HA3 GLY 52 HA3 GLY 52 -8.166 16.028 -8.976 401 H ASN 53 H ASN 53 -11.541 16.104 -7.604 402 HA ASN 53 HA ASN 53 -12.371 15.086 -5.853 403 HB2 ASN 53 HB2 ASN 53 -12.129 12.498 -5.989 404 HB3 ASN 53 HB3 ASN 53 -12.812 13.300 -7.390 405 HD21 ASN 53 HD21 ASN 53 -11.641 13.511 -9.274 406 HD22 ASN 53 HD22 ASN 53 -10.202 12.607 -9.612 407 H THR 54 H THR 54 -11.004 16.035 -4.156 408 HA THR 54 HA THR 54 -9.003 14.143 -3.115 409 HB THR 54 HB THR 54 -7.754 16.262 -2.389 410 HG1 THR 54 HG1 THR 54 -8.565 18.115 -3.851 411 HG21 THR 54 HG21 THR 54 -6.942 15.163 -4.437 412 HG22 THR 54 HG22 THR 54 -8.280 15.863 -5.380 413 HG23 THR 54 HG23 THR 54 -7.003 16.918 -4.728 414 H LYS 55 H LYS 55 -9.035 13.727 -0.938 415 HA LYS 55 HA LYS 55 -10.977 15.266 0.622 416 HB2 LYS 55 HB2 LYS 55 -11.328 12.581 -0.274 417 HB3 LYS 55 HB3 LYS 55 -11.036 12.522 1.452 418 HG2 LYS 55 HG2 LYS 55 -12.893 14.684 0.538 419 HG3 LYS 55 HG3 LYS 55 -13.486 13.047 0.335 420 HD2 LYS 55 HD2 LYS 55 -14.066 13.073 2.529 421 HD3 LYS 55 HD3 LYS 55 -12.357 13.027 2.916 422 HE2 LYS 55 HE2 LYS 55 -13.356 15.736 2.191 423 HE3 LYS 55 HE3 LYS 55 -14.093 15.069 3.635 424 HZ1 LYS 55 HZ1 LYS 55 -11.271 14.629 3.626 425 HZ2 LYS 55 HZ2 LYS 55 -11.601 16.218 3.489 426 HZ3 LYS 55 HZ3 LYS 55 -12.233 15.359 4.730 427 H MET 56 H MET 56 -8.369 15.970 0.681 428 HA MET 56 HA MET 56 -7.718 15.451 3.351 429 HB2 MET 56 HB2 MET 56 -5.482 14.332 2.892 430 HB3 MET 56 HB3 MET 56 -6.849 13.315 2.482 431 HG2 MET 56 HG2 MET 56 -6.235 14.914 0.160 432 HG3 MET 56 HG3 MET 56 -4.728 14.244 0.752 433 HE1 MET 56 HE1 MET 56 -7.192 13.912 -1.604 434 HE2 MET 56 HE2 MET 56 -5.660 13.173 -2.128 435 HE3 MET 56 HE3 MET 56 -7.151 12.201 -2.091 436 H SER 57 H SER 57 -5.730 16.681 4.034 437 HA SER 57 HA SER 57 -5.259 18.822 2.114 438 HB2 SER 57 HB2 SER 57 -4.412 19.844 4.523 439 HB3 SER 57 HB3 SER 57 -6.013 20.084 3.852 440 HG SER 57 HG SER 57 -5.170 18.396 5.975 441 H ILE 58 H ILE 58 -3.664 17.145 4.933 442 HA ILE 58 HA ILE 58 -1.537 16.693 5.352 443 HB ILE 58 HB ILE 58 -1.647 16.035 2.410 444 HG12 ILE 58 HG12 ILE 58 -1.693 14.077 4.696 445 HG13 ILE 58 HG13 ILE 58 -3.163 14.895 4.207 446 HG21 ILE 58 HG21 ILE 58 0.526 15.607 2.413 447 HG22 ILE 58 HG22 ILE 58 0.651 16.204 4.085 448 HG23 ILE 58 HG23 ILE 58 0.313 14.484 3.778 449 HD11 ILE 58 HD11 ILE 58 -3.002 14.023 1.945 450 HD12 ILE 58 HD12 ILE 58 -1.367 13.391 2.254 451 HD13 ILE 58 HD13 ILE 58 -2.772 12.660 3.067 452 H HIS 59 H HIS 59 -1.333 19.075 5.835 453 HA HIS 59 HA HIS 59 0.842 20.100 4.212 454 HB2 HIS 59 HB2 HIS 59 -1.501 21.030 3.511 455 HB3 HIS 59 HB3 HIS 59 -1.379 21.977 4.980 456 HD1 HIS 59 HD1 HIS 59 0.234 23.980 4.993 457 HD2 HIS 59 HD2 HIS 59 0.449 21.678 1.493 458 HE1 HIS 59 HE1 HIS 59 1.640 25.322 3.340 459 H LEU 60 H LEU 60 -1.318 21.257 6.902 460 HA LEU 60 HA LEU 60 0.509 22.564 8.372 461 HB2 LEU 60 HB2 LEU 60 -2.001 21.134 8.916 462 HB3 LEU 60 HB3 LEU 60 -0.973 21.343 10.319 463 HG LEU 60 HG LEU 60 -0.932 23.863 9.205 464 HD11 LEU 60 HD11 LEU 60 -3.346 24.409 8.811 465 HD12 LEU 60 HD12 LEU 60 -2.585 23.418 7.543 466 HD13 LEU 60 HD13 LEU 60 -3.669 22.660 8.735 467 HD21 LEU 60 HD21 LEU 60 -3.087 23.190 11.167 468 HD22 LEU 60 HD22 LEU 60 -1.390 22.888 11.611 469 HD23 LEU 60 HD23 LEU 60 -1.915 24.530 11.164 470 H ILE 61 H ILE 61 2.480 22.083 9.161 471 HA ILE 61 HA ILE 61 4.150 20.960 10.071 472 HB ILE 61 HB ILE 61 2.040 18.966 10.903 473 HG12 ILE 61 HG12 ILE 61 3.243 21.155 12.600 474 HG13 ILE 61 HG13 ILE 61 1.809 21.425 11.630 475 HG21 ILE 61 HG21 ILE 61 4.700 18.491 10.902 476 HG22 ILE 61 HG22 ILE 61 4.523 19.292 12.481 477 HG23 ILE 61 HG23 ILE 61 3.571 17.835 12.111 478 HD11 ILE 61 HD11 ILE 61 2.130 19.263 13.763 479 HD12 ILE 61 HD12 ILE 61 1.180 20.760 13.920 480 HD13 ILE 61 HD13 ILE 61 0.679 19.505 12.762 481 H HIS 62 H HIS 62 2.102 18.161 9.007 482 HA HIS 62 HA HIS 62 4.324 17.002 7.695 483 HB2 HIS 62 HB2 HIS 62 1.396 16.267 7.450 484 HB3 HIS 62 HB3 HIS 62 2.773 15.254 7.062 485 HD1 HIS 62 HD1 HIS 62 0.405 15.852 9.702 486 HD2 HIS 62 HD2 HIS 62 4.464 14.803 9.553 487 HE1 HIS 62 HE1 HIS 62 0.969 14.850 11.980 488 H MET 63 H MET 63 4.968 18.822 6.298 489 HA MET 63 HA MET 63 3.553 20.166 4.537 490 HB2 MET 63 HB2 MET 63 6.272 19.391 4.860 491 HB3 MET 63 HB3 MET 63 5.907 18.991 3.193 492 HG2 MET 63 HG2 MET 63 5.112 21.300 2.773 493 HG3 MET 63 HG3 MET 63 5.342 21.717 4.459 494 HE1 MET 63 HE1 MET 63 6.312 21.703 1.225 495 HE2 MET 63 HE2 MET 63 7.500 23.004 1.477 496 HE3 MET 63 HE3 MET 63 8.050 21.373 1.023 497 H ARG 64 H ARG 64 5.040 16.956 3.659 498 HA ARG 64 HA ARG 64 2.667 16.149 2.390 499 HB2 ARG 64 HB2 ARG 64 3.756 17.795 0.704 500 HB3 ARG 64 HB3 ARG 64 5.034 16.610 0.516 501 HG2 ARG 64 HG2 ARG 64 3.102 14.901 0.039 502 HG3 ARG 64 HG3 ARG 64 2.088 16.313 -0.177 503 HD2 ARG 64 HD2 ARG 64 2.878 15.842 -2.372 504 HD3 ARG 64 HD3 ARG 64 3.896 17.166 -1.841 505 HE ARG 64 HE ARG 64 5.051 14.584 -1.154 506 HH11 ARG 64 HH22 ARG 64 4.671 16.906 -3.804 507 HH12 ARG 64 HH21 ARG 64 6.089 16.370 -4.642 508 HH21 ARG 64 HH12 ARG 64 6.890 13.898 -2.253 509 HH22 ARG 64 HH11 ARG 64 7.357 14.644 -3.747 510 H VAL 65 H VAL 65 6.232 15.702 1.755 511 HA VAL 65 HA VAL 65 6.111 12.937 1.587 512 HB VAL 65 HB VAL 65 8.610 13.182 2.176 513 HG11 VAL 65 HG11 VAL 65 7.244 13.325 -0.152 514 HG12 VAL 65 HG12 VAL 65 8.025 14.925 -0.158 515 HG13 VAL 65 HG13 VAL 65 9.016 13.451 -0.041 516 HG21 VAL 65 HG21 VAL 65 7.777 15.696 3.042 517 HG22 VAL 65 HG22 VAL 65 9.455 15.165 2.776 518 HG23 VAL 65 HG23 VAL 65 8.575 16.016 1.483 519 H ALA 66 H ALA 66 6.318 15.142 4.379 520 HA ALA 66 HA ALA 66 7.239 13.451 6.317 521 HB1 ALA 66 HB1 ALA 66 4.978 15.472 6.584 522 HB2 ALA 66 HB2 ALA 66 6.073 14.914 7.871 523 HB3 ALA 66 HB3 ALA 66 6.706 15.893 6.527 524 H ALA 67 H ALA 67 3.749 14.002 5.437 525 HA ALA 67 HA ALA 67 2.682 12.063 7.053 526 HB1 ALA 67 HB1 ALA 67 1.614 13.882 5.501 527 HB2 ALA 67 HB2 ALA 67 1.619 12.592 4.275 528 HB3 ALA 67 HB3 ALA 67 0.727 12.367 5.798 529 H GLN 68 H GLN 68 4.504 11.759 4.027 530 HA GLN 68 HA GLN 68 3.647 9.146 3.466 531 HB2 GLN 68 HB2 GLN 68 4.856 10.956 1.964 532 HB3 GLN 68 HB3 GLN 68 6.329 10.243 2.592 533 HG2 GLN 68 HG2 GLN 68 5.325 7.948 1.881 534 HG3 GLN 68 HG3 GLN 68 4.140 8.872 0.979 535 HE21 GLN 68 HE21 GLN 68 6.797 7.181 0.583 536 HE22 GLN 68 HE22 GLN 68 7.599 8.010 -0.709 537 H GLY 69 H GLY 69 6.406 10.574 5.285 538 HA2 GLY 69 HA2 GLY 69 7.835 8.188 5.709 539 HA3 GLY 69 HA3 GLY 69 7.933 9.658 6.657 540 H PHE 70 H PHE 70 5.253 9.880 7.612 541 HA PHE 70 HA PHE 70 5.375 8.167 9.811 542 HB2 PHE 70 HB2 PHE 70 4.083 10.495 9.045 543 HB3 PHE 70 HB3 PHE 70 2.758 9.360 8.880 544 HD1 PHE 70 HD2 PHE 70 2.366 7.791 10.960 545 HD2 PHE 70 HD1 PHE 70 4.459 11.480 11.105 546 HE1 PHE 70 HE2 PHE 70 1.929 7.942 13.427 547 HE2 PHE 70 HE1 PHE 70 4.022 11.630 13.572 548 HZ PHE 70 HZ PHE 70 2.763 9.859 14.704 549 H VAL 71 H VAL 71 2.991 8.257 7.059 550 HA VAL 71 HA VAL 71 1.646 5.948 7.808 551 HB VAL 71 HB VAL 71 2.072 7.201 5.088 552 HG11 VAL 71 HG11 VAL 71 0.569 5.780 4.162 553 HG12 VAL 71 HG12 VAL 71 1.093 4.702 5.477 554 HG13 VAL 71 HG13 VAL 71 -0.398 5.658 5.651 555 HG21 VAL 71 HG21 VAL 71 -0.359 7.497 6.856 556 HG22 VAL 71 HG22 VAL 71 1.044 8.582 7.008 557 HG23 VAL 71 HG23 VAL 71 0.149 8.494 5.472 558 H VAL 72 H VAL 72 4.629 6.464 5.884 559 HA VAL 72 HA VAL 72 4.870 3.945 4.791 560 HB VAL 72 HB VAL 72 6.700 6.163 5.554 561 HG11 VAL 72 HG11 VAL 72 8.302 4.663 6.160 562 HG12 VAL 72 HG12 VAL 72 7.549 3.324 5.261 563 HG13 VAL 72 HG13 VAL 72 8.513 4.545 4.396 564 HG21 VAL 72 HG21 VAL 72 6.733 4.733 2.925 565 HG22 VAL 72 HG22 VAL 72 5.306 5.714 3.337 566 HG23 VAL 72 HG23 VAL 72 6.919 6.465 3.290 567 H GLY 73 H GLY 73 6.547 5.121 7.800 568 HA2 GLY 73 HA2 GLY 73 7.515 2.733 8.696 569 HA3 GLY 73 HA3 GLY 73 7.009 4.054 9.730 570 H ALA 74 H ALA 74 4.195 4.105 9.161 571 HA ALA 74 HA ALA 74 3.298 2.154 10.934 572 HB1 ALA 74 HB1 ALA 74 2.150 4.278 10.580 573 HB2 ALA 74 HB2 ALA 74 1.823 3.854 8.883 574 HB3 ALA 74 HB3 ALA 74 1.043 2.938 10.195 575 H MET 75 H MET 75 3.360 2.312 7.332 576 HA MET 75 HA MET 75 1.858 0.006 6.951 577 HB2 MET 75 HB2 MET 75 3.400 1.930 5.394 578 HB3 MET 75 HB3 MET 75 3.801 0.319 4.833 579 HG2 MET 75 HG2 MET 75 1.906 0.978 3.522 580 HG3 MET 75 HG3 MET 75 1.266 -0.142 4.708 581 HE1 MET 75 HE1 MET 75 -0.955 3.014 3.634 582 HE2 MET 75 HE2 MET 75 -0.284 1.465 3.069 583 HE3 MET 75 HE3 MET 75 -1.529 1.485 4.340 584 H THR 76 H THR 76 5.347 0.573 7.524 585 HA THR 76 HA THR 76 6.233 -1.993 6.785 586 HB THR 76 HB THR 76 7.307 0.177 8.657 587 HG1 THR 76 HG1 THR 76 7.805 -0.813 5.937 588 HG21 THR 76 HG21 THR 76 8.528 -1.827 9.272 589 HG22 THR 76 HG22 THR 76 8.574 -2.390 7.584 590 HG23 THR 76 HG23 THR 76 9.544 -0.982 8.080 591 H VAL 77 H VAL 77 5.409 -0.620 10.040 592 HA VAL 77 HA VAL 77 5.869 -2.956 11.447 593 HB VAL 77 HB VAL 77 4.305 -1.938 13.110 594 HG11 VAL 77 HG11 VAL 77 6.839 -1.068 12.229 595 HG12 VAL 77 HG12 VAL 77 5.897 0.409 12.545 596 HG13 VAL 77 HG13 VAL 77 6.095 -0.812 13.825 597 HG21 VAL 77 HG21 VAL 77 2.784 -0.881 11.430 598 HG22 VAL 77 HG22 VAL 77 3.328 0.231 12.709 599 HG23 VAL 77 HG23 VAL 77 4.059 0.313 11.088 600 H GLY 78 H GLY 78 2.930 -1.783 9.714 601 HA2 GLY 78 HA2 GLY 78 1.119 -3.702 10.536 602 HA3 GLY 78 HA3 GLY 78 1.112 -2.886 8.986 603 H MET 79 H MET 79 3.390 -3.782 7.693 604 HA MET 79 HA MET 79 2.586 -6.234 6.763 605 HB2 MET 79 HB2 MET 79 4.592 -4.282 6.213 606 HB3 MET 79 HB3 MET 79 5.484 -5.769 6.464 607 HG2 MET 79 HG2 MET 79 4.888 -5.567 4.085 608 HG3 MET 79 HG3 MET 79 4.031 -6.927 4.783 609 HE1 MET 79 HE1 MET 79 1.626 -7.079 3.367 610 HE2 MET 79 HE2 MET 79 1.814 -7.219 5.131 611 HE3 MET 79 HE3 MET 79 0.478 -6.259 4.452 612 H GLY 80 H GLY 80 5.292 -5.411 9.040 613 HA2 GLY 80 HA2 GLY 80 6.350 -7.927 9.412 614 HA3 GLY 80 HA3 GLY 80 6.329 -6.645 10.607 615 H TYR 81 H TYR 81 3.452 -6.399 10.937 616 HA TYR 81 HA TYR 81 3.057 -8.488 12.804 617 HB2 TYR 81 HB2 TYR 81 1.635 -6.092 11.605 618 HB3 TYR 81 HB3 TYR 81 0.610 -7.259 12.418 619 HD1 TYR 81 HD2 TYR 81 3.987 -5.779 13.168 620 HD2 TYR 81 HD1 TYR 81 0.005 -6.546 14.533 621 HE1 TYR 81 HE2 TYR 81 4.543 -4.716 15.409 622 HE2 TYR 81 HE1 TYR 81 0.575 -5.481 16.771 623 HH TYR 81 HH TYR 81 3.440 -5.116 17.913 624 H SER 82 H SER 82 2.119 -7.946 9.413 625 HA SER 82 HA SER 82 0.664 -10.471 9.567 626 HB2 SER 82 HB2 SER 82 -0.008 -7.875 8.268 627 HB3 SER 82 HB3 SER 82 -0.302 -9.289 7.276 628 HG SER 82 HG SER 82 -1.190 -9.395 9.981 629 H MET 83 H MET 83 3.051 -11.217 9.254 630 HA MET 83 HA MET 83 3.429 -11.510 6.401 631 HB2 MET 83 HB2 MET 83 5.128 -9.943 8.217 632 HB3 MET 83 HB3 MET 83 6.047 -11.273 7.541 633 HG2 MET 83 HG2 MET 83 5.004 -10.509 5.235 634 HG3 MET 83 HG3 MET 83 4.654 -9.010 6.071 635 HE1 MET 83 HE1 MET 83 8.017 -10.649 4.119 636 HE2 MET 83 HE2 MET 83 8.553 -11.165 5.735 637 HE3 MET 83 HE3 MET 83 6.941 -11.632 5.141 638 H TYR 84 H TYR 84 4.763 -12.345 9.681 639 HA TYR 84 HA TYR 84 4.225 -15.077 9.391 640 HB2 TYR 84 HB2 TYR 84 6.128 -14.721 7.699 641 HB3 TYR 84 HB3 TYR 84 7.124 -14.102 9.000 642 HD1 TYR 84 HD2 TYR 84 5.231 -17.159 7.963 643 HD2 TYR 84 HD1 TYR 84 8.482 -15.559 10.238 644 HE1 TYR 84 HE2 TYR 84 6.043 -19.514 8.471 645 HE2 TYR 84 HE1 TYR 84 9.283 -17.919 10.739 646 HH TYR 84 HH TYR 84 8.948 -20.262 9.365 647 H ARG 85 H ARG 85 6.625 -12.705 10.725 648 HA ARG 85 HA ARG 85 5.699 -13.003 13.297 649 HB2 ARG 85 HB2 ARG 85 6.894 -15.306 12.870 650 HB3 ARG 85 HB3 ARG 85 8.389 -14.398 12.982 651 HG2 ARG 85 HG2 ARG 85 7.955 -13.742 15.254 652 HG3 ARG 85 HG3 ARG 85 6.264 -14.188 15.149 653 HD2 ARG 85 HD2 ARG 85 7.659 -16.567 14.501 654 HD3 ARG 85 HD3 ARG 85 8.583 -15.863 15.813 655 HE ARG 85 HE ARG 85 5.776 -15.729 16.440 656 HH11 ARG 85 HH22 ARG 85 8.435 -18.060 16.222 657 HH12 ARG 85 HH21 ARG 85 7.744 -19.145 17.382 658 HH21 ARG 85 HH12 ARG 85 4.890 -17.147 17.945 659 HH22 ARG 85 HH11 ARG 85 5.711 -18.615 18.366 660 H GLU 86 H GLU 86 6.387 -11.151 14.364 661 HA GLU 86 HA GLU 86 7.717 -9.184 13.210 662 HB2 GLU 86 HB2 GLU 86 7.419 -10.002 16.090 663 HB3 GLU 86 HB3 GLU 86 8.498 -8.668 15.734 664 HG2 GLU 86 HG2 GLU 86 6.658 -7.335 15.703 665 HG3 GLU 86 HG3 GLU 86 6.254 -8.078 14.168 666 H PHE 87 H PHE 87 9.661 -9.154 12.166 667 HA PHE 87 HA PHE 87 11.634 -10.920 12.226 668 HB2 PHE 87 HB2 PHE 87 13.057 -9.034 11.457 669 HB3 PHE 87 HB3 PHE 87 11.430 -8.782 10.857 670 HD1 PHE 87 HD1 PHE 87 13.844 -7.724 13.446 671 HD2 PHE 87 HD2 PHE 87 10.171 -6.876 11.497 672 HE1 PHE 87 HE1 PHE 87 13.801 -5.453 14.514 673 HE2 PHE 87 HE2 PHE 87 10.128 -4.605 12.565 674 HZ PHE 87 HZ PHE 87 11.944 -3.921 14.060 675 H TRP 88 H TRP 88 13.767 -11.101 13.243 676 HA TRP 88 HA TRP 88 13.731 -10.059 15.994 677 HB2 TRP 88 HB2 TRP 88 15.145 -12.076 16.510 678 HB3 TRP 88 HB3 TRP 88 13.450 -12.370 16.176 679 HD1 TRP 88 HD1 TRP 88 16.858 -13.446 15.044 680 HE1 TRP 88 HE1 TRP 88 16.780 -15.088 12.980 681 HE3 TRP 88 HE3 TRP 88 11.955 -12.669 13.943 682 HZ2 TRP 88 HZ2 TRP 88 14.722 -15.861 11.160 683 HZ3 TRP 88 HZ3 TRP 88 10.989 -13.907 12.007 684 HH2 TRP 88 HH2 TRP 88 12.289 -15.457 10.636 685 H ALA 89 H ALA 89 15.991 -11.392 13.463 686 HA ALA 89 HA ALA 89 17.469 -8.982 13.340 687 HB1 ALA 89 HB1 ALA 89 19.601 -10.058 14.281 688 HB2 ALA 89 HB2 ALA 89 18.375 -9.553 15.469 689 HB3 ALA 89 HB3 ALA 89 18.533 -11.270 15.028 690 H LYS 90 H LYS 90 16.503 -9.813 11.184 691 HA LYS 90 HA LYS 90 17.174 -12.037 9.869 692 HB2 LYS 90 HB2 LYS 90 16.313 -9.411 9.192 693 HB3 LYS 90 HB3 LYS 90 17.589 -9.836 8.070 694 HG2 LYS 90 HG2 LYS 90 16.442 -11.797 7.316 695 HG3 LYS 90 HG3 LYS 90 15.372 -11.815 8.704 696 HD2 LYS 90 HD2 LYS 90 14.319 -9.679 7.907 697 HD3 LYS 90 HD3 LYS 90 15.374 -9.691 6.507 698 HE2 LYS 90 HE2 LYS 90 14.304 -12.233 6.364 699 HE3 LYS 90 HE3 LYS 90 12.966 -11.357 7.079 700 HZ1 LYS 90 HZ1 LYS 90 14.323 -10.709 4.522 701 HZ2 LYS 90 HZ2 LYS 90 12.773 -11.170 4.717 702 HZ3 LYS 90 HZ3 LYS 90 13.268 -9.716 5.282 703 HA PRO 91 HA PRO 91 21.578 -11.770 10.172 704 HB2 PRO 91 HB2 PRO 91 22.055 -14.456 10.014 705 HB3 PRO 91 HB3 PRO 91 21.780 -13.619 11.528 706 HG2 PRO 91 HG2 PRO 91 19.947 -15.389 10.030 707 HG3 PRO 91 HG3 PRO 91 19.867 -14.895 11.709 708 HD2 PRO 91 HD2 PRO 91 18.272 -13.890 9.548 709 HD3 PRO 91 HD3 PRO 91 18.274 -13.316 11.203 710 H LYS 92 H LYS 92 21.472 -10.569 8.160 711 HA LYS 92 HA LYS 92 21.813 -10.351 5.979 712 HB2 LYS 92 HB2 LYS 92 24.045 -11.138 6.928 713 HB3 LYS 92 HB3 LYS 92 23.679 -12.717 6.262 714 HG2 LYS 92 HG2 LYS 92 24.858 -11.765 4.483 715 HG3 LYS 92 HG3 LYS 92 23.213 -11.376 4.022 716 HD2 LYS 92 HD2 LYS 92 24.345 -9.336 5.818 717 HD3 LYS 92 HD3 LYS 92 25.329 -9.549 4.384 718 HE2 LYS 92 HE2 LYS 92 23.742 -8.636 3.004 719 HE3 LYS 92 HE3 LYS 92 22.428 -9.490 3.787 720 HZ1 LYS 92 HZ1 LYS 92 23.733 -7.028 4.817 721 HZ2 LYS 92 HZ2 LYS 92 22.227 -7.126 4.204 722 HZ3 LYS 92 HZ3 LYS 92 22.591 -7.902 5.598 723 HA PRO 93 HA PRO 93 18.899 -13.438 4.622 724 HB2 PRO 93 HB2 PRO 93 17.215 -11.723 3.321 725 HB3 PRO 93 HB3 PRO 93 17.010 -12.176 5.001 726 HG2 PRO 93 HG2 PRO 93 18.021 -9.636 3.876 727 HG3 PRO 93 HG3 PRO 93 17.415 -9.959 5.489 728 HD2 PRO 93 HD2 PRO 93 20.161 -9.668 4.714 729 HD3 PRO 93 HD3 PRO 93 19.560 -10.105 6.302 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -16.418 -14.237 -7.248 2 HA MET 1 HA MET 1 -16.381 -16.531 -5.906 3 HB2 MET 1 HB2 MET 1 -15.605 -17.048 -8.640 4 HB3 MET 1 HB3 MET 1 -14.158 -17.219 -7.667 5 HG2 MET 1 HG2 MET 1 -16.291 -18.506 -6.229 6 HG3 MET 1 HG3 MET 1 -16.401 -19.040 -7.895 7 HE1 MET 1 HE1 MET 1 -13.696 -19.290 -9.163 8 HE2 MET 1 HE2 MET 1 -13.193 -20.904 -8.606 9 HE3 MET 1 HE3 MET 1 -14.895 -20.598 -9.029 10 H SER 2 H SER 2 -15.646 -14.919 -4.404 11 HA SER 2 HA SER 2 -12.939 -14.888 -3.999 12 HB2 SER 2 HB2 SER 2 -13.351 -13.221 -6.084 13 HB3 SER 2 HB3 SER 2 -13.692 -12.088 -4.791 14 HG SER 2 HG SER 2 -11.559 -11.850 -4.753 15 H THR 3 H THR 3 -13.468 -15.206 -1.824 16 HA THR 3 HA THR 3 -14.564 -12.876 -0.453 17 HB THR 3 HB THR 3 -15.743 -15.695 -0.451 18 HG1 THR 3 HG1 THR 3 -17.629 -14.255 -0.881 19 HG21 THR 3 HG21 THR 3 -15.442 -14.555 1.921 20 HG22 THR 3 HG22 THR 3 -16.680 -13.419 1.333 21 HG23 THR 3 HG23 THR 3 -17.053 -15.155 1.458 22 H ASP 4 H ASP 4 -13.302 -12.339 1.209 23 HA ASP 4 HA ASP 4 -12.124 -14.448 2.744 24 HB2 ASP 4 HB2 ASP 4 -10.571 -13.629 0.717 25 HB3 ASP 4 HB3 ASP 4 -10.244 -12.281 1.788 26 H THR 5 H THR 5 -13.077 -13.672 4.670 27 HA THR 5 HA THR 5 -13.793 -12.191 6.210 28 HB THR 5 HB THR 5 -10.821 -11.569 5.834 29 HG1 THR 5 HG1 THR 5 -10.763 -13.433 7.035 30 HG21 THR 5 HG21 THR 5 -12.741 -10.205 7.519 31 HG22 THR 5 HG22 THR 5 -11.739 -11.256 8.549 32 HG23 THR 5 HG23 THR 5 -10.969 -10.030 7.513 33 H GLY 6 H GLY 6 -15.114 -11.253 4.268 34 HA2 GLY 6 HA2 GLY 6 -16.116 -9.363 3.550 35 HA3 GLY 6 HA3 GLY 6 -15.065 -8.426 4.592 36 H VAL 7 H VAL 7 -14.791 -6.811 2.913 37 HA VAL 7 HA VAL 7 -13.849 -5.878 1.141 38 HB VAL 7 HB VAL 7 -11.782 -7.993 1.763 39 HG11 VAL 7 HG11 VAL 7 -11.507 -7.201 -0.550 40 HG12 VAL 7 HG12 VAL 7 -11.490 -5.517 0.027 41 HG13 VAL 7 HG13 VAL 7 -10.184 -6.632 0.497 42 HG21 VAL 7 HG21 VAL 7 -12.586 -5.581 3.083 43 HG22 VAL 7 HG22 VAL 7 -11.288 -6.716 3.521 44 HG23 VAL 7 HG23 VAL 7 -10.946 -5.352 2.430 45 H SER 8 H SER 8 -15.334 -6.227 -0.508 46 HA SER 8 HA SER 8 -14.716 -8.547 -2.163 47 HB2 SER 8 HB2 SER 8 -17.213 -7.835 -0.900 48 HB3 SER 8 HB3 SER 8 -17.420 -7.689 -2.634 49 HG SER 8 HG SER 8 -17.599 -9.815 -2.665 50 H LEU 9 H LEU 9 -15.527 -8.172 -4.534 51 HA LEU 9 HA LEU 9 -14.205 -6.161 -5.707 52 HB2 LEU 9 HB2 LEU 9 -15.194 -8.031 -6.883 53 HB3 LEU 9 HB3 LEU 9 -16.807 -7.418 -6.581 54 HG LEU 9 HG LEU 9 -15.921 -7.053 -8.902 55 HD11 LEU 9 HD11 LEU 9 -17.002 -4.995 -9.183 56 HD12 LEU 9 HD12 LEU 9 -17.754 -5.699 -7.731 57 HD13 LEU 9 HD13 LEU 9 -16.529 -4.418 -7.567 58 HD21 LEU 9 HD21 LEU 9 -13.609 -6.285 -7.732 59 HD22 LEU 9 HD22 LEU 9 -14.088 -5.834 -9.385 60 HD23 LEU 9 HD23 LEU 9 -14.350 -4.697 -8.041 61 HA PRO 10 HA PRO 10 -16.504 -2.727 -4.169 62 HB2 PRO 10 HB2 PRO 10 -14.525 -0.870 -4.485 63 HB3 PRO 10 HB3 PRO 10 -14.714 -1.830 -3.032 64 HG2 PRO 10 HG2 PRO 10 -12.716 -2.112 -5.192 65 HG3 PRO 10 HG3 PRO 10 -12.671 -2.760 -3.565 66 HD2 PRO 10 HD2 PRO 10 -13.279 -4.201 -5.969 67 HD3 PRO 10 HD3 PRO 10 -13.348 -4.819 -4.331 68 H SER 11 H SER 11 -14.689 -2.890 -7.140 69 HA SER 11 HA SER 11 -15.438 -2.439 -9.168 70 HB2 SER 11 HB2 SER 11 -17.845 -2.340 -7.889 71 HB3 SER 11 HB3 SER 11 -17.709 -0.661 -8.372 72 HG SER 11 HG SER 11 -16.978 -2.229 -10.485 73 H TYR 12 H TYR 12 -16.015 -0.184 -10.499 74 HA TYR 12 HA TYR 12 -15.258 1.817 -11.075 75 HB2 TYR 12 HB2 TYR 12 -15.902 1.871 -8.173 76 HB3 TYR 12 HB3 TYR 12 -14.667 3.053 -8.560 77 HD1 TYR 12 HD1 TYR 12 -15.351 4.224 -11.057 78 HD2 TYR 12 HD2 TYR 12 -17.991 2.846 -7.985 79 HE1 TYR 12 HE1 TYR 12 -17.148 5.827 -11.872 80 HE2 TYR 12 HE2 TYR 12 -19.779 4.454 -8.810 81 HH TYR 12 HH TYR 12 -20.393 5.718 -10.555 82 H GLU 13 H GLU 13 -13.294 2.373 -11.889 83 HA GLU 13 HA GLU 13 -11.144 2.496 -12.153 84 HB2 GLU 13 HB2 GLU 13 -11.006 2.669 -9.110 85 HB3 GLU 13 HB3 GLU 13 -9.715 3.117 -10.207 86 HG2 GLU 13 HG2 GLU 13 -10.654 5.208 -10.021 87 HG3 GLU 13 HG3 GLU 13 -11.712 4.615 -11.287 88 H GLU 14 H GLU 14 -10.483 0.557 -13.047 89 HA GLU 14 HA GLU 14 -9.609 -1.423 -13.207 90 HB2 GLU 14 HB2 GLU 14 -8.503 -0.488 -10.584 91 HB3 GLU 14 HB3 GLU 14 -8.317 -2.193 -10.943 92 HG2 GLU 14 HG2 GLU 14 -6.694 -1.783 -12.481 93 HG3 GLU 14 HG3 GLU 14 -7.679 -0.591 -13.305 94 H ASP 15 H ASP 15 -11.006 -3.115 -13.412 95 HA ASP 15 HA ASP 15 -12.005 -4.271 -10.964 96 HB2 ASP 15 HB2 ASP 15 -13.863 -2.856 -11.593 97 HB3 ASP 15 HB3 ASP 15 -13.716 -3.291 -13.284 98 H GLN 16 H GLN 16 -10.609 -6.092 -11.444 99 HA GLN 16 HA GLN 16 -11.703 -7.994 -13.146 100 HB2 GLN 16 HB2 GLN 16 -10.619 -6.449 -14.863 101 HB3 GLN 16 HB3 GLN 16 -9.064 -6.867 -14.172 102 HG2 GLN 16 HG2 GLN 16 -9.022 -8.880 -15.234 103 HG3 GLN 16 HG3 GLN 16 -10.644 -9.279 -14.705 104 HE21 GLN 16 HE21 GLN 16 -8.705 -7.656 -17.126 105 HE22 GLN 16 HE22 GLN 16 -9.893 -7.584 -18.384 106 H GLY 17 H GLY 17 -11.502 -9.112 -11.103 107 HA2 GLY 17 HA2 GLY 17 -9.440 -9.387 -9.425 108 HA3 GLY 17 HA3 GLY 17 -10.463 -10.730 -9.894 109 H SER 18 H SER 18 -9.828 -11.436 -12.414 110 HA SER 18 HA SER 18 -7.609 -12.895 -12.221 111 HB2 SER 18 HB2 SER 18 -9.380 -12.029 -14.350 112 HB3 SER 18 HB3 SER 18 -7.740 -12.090 -14.963 113 HG SER 18 HG SER 18 -8.525 -14.290 -13.364 114 H LYS 19 H LYS 19 -7.845 -9.569 -13.661 115 HA LYS 19 HA LYS 19 -5.181 -9.338 -14.391 116 HB2 LYS 19 HB2 LYS 19 -7.404 -7.833 -14.709 117 HB3 LYS 19 HB3 LYS 19 -6.607 -6.903 -13.456 118 HG2 LYS 19 HG2 LYS 19 -4.473 -7.002 -14.888 119 HG3 LYS 19 HG3 LYS 19 -5.453 -7.688 -16.169 120 HD2 LYS 19 HD2 LYS 19 -6.831 -5.360 -15.163 121 HD3 LYS 19 HD3 LYS 19 -5.158 -4.912 -15.432 122 HE2 LYS 19 HE2 LYS 19 -5.430 -6.137 -17.746 123 HE3 LYS 19 HE3 LYS 19 -7.152 -6.016 -17.442 124 HZ1 LYS 19 HZ1 LYS 19 -5.584 -4.033 -18.492 125 HZ2 LYS 19 HZ2 LYS 19 -7.097 -3.829 -17.926 126 HZ3 LYS 19 HZ3 LYS 19 -5.817 -3.582 -16.937 127 H LEU 20 H LEU 20 -6.861 -8.644 -11.278 128 HA LEU 20 HA LEU 20 -4.644 -7.503 -10.013 129 HB2 LEU 20 HB2 LEU 20 -7.167 -7.563 -9.404 130 HB3 LEU 20 HB3 LEU 20 -6.774 -9.062 -8.585 131 HG LEU 20 HG LEU 20 -4.832 -7.240 -7.697 132 HD11 LEU 20 HD11 LEU 20 -7.540 -5.927 -7.957 133 HD12 LEU 20 HD12 LEU 20 -6.341 -5.429 -6.739 134 HD13 LEU 20 HD13 LEU 20 -5.949 -5.316 -8.472 135 HD21 LEU 20 HD21 LEU 20 -5.770 -9.006 -6.350 136 HD22 LEU 20 HD22 LEU 20 -6.028 -7.445 -5.534 137 HD23 LEU 20 HD23 LEU 20 -7.375 -8.238 -6.386 138 H ILE 21 H ILE 21 -5.493 -10.822 -10.830 139 HA ILE 21 HA ILE 21 -3.562 -11.887 -8.952 140 HB ILE 21 HB ILE 21 -5.469 -13.123 -10.931 141 HG12 ILE 21 HG12 ILE 21 -5.444 -13.576 -7.961 142 HG13 ILE 21 HG13 ILE 21 -6.141 -12.102 -8.603 143 HG21 ILE 21 HG21 ILE 21 -3.105 -14.292 -9.591 144 HG22 ILE 21 HG22 ILE 21 -4.613 -15.229 -9.461 145 HG23 ILE 21 HG23 ILE 21 -3.969 -14.797 -11.063 146 HD11 ILE 21 HD11 ILE 21 -6.931 -14.700 -9.906 147 HD12 ILE 21 HD12 ILE 21 -7.613 -14.317 -8.307 148 HD13 ILE 21 HD13 ILE 21 -7.883 -13.214 -9.677 149 H ARG 22 H ARG 22 -3.729 -10.683 -12.212 150 HA ARG 22 HA ARG 22 -1.802 -12.278 -13.372 151 HB2 ARG 22 HB2 ARG 22 -3.308 -9.924 -14.038 152 HB3 ARG 22 HB3 ARG 22 -1.627 -9.544 -14.359 153 HG2 ARG 22 HG2 ARG 22 -1.952 -12.167 -15.364 154 HG3 ARG 22 HG3 ARG 22 -3.434 -11.347 -15.813 155 HD2 ARG 22 HD2 ARG 22 -1.532 -9.417 -16.425 156 HD3 ARG 22 HD3 ARG 22 -0.657 -10.893 -16.781 157 HE ARG 22 HE ARG 22 -3.156 -11.286 -17.958 158 HH11 ARG 22 HH22 ARG 22 -0.618 -8.831 -18.249 159 HH12 ARG 22 HH21 ARG 22 -0.995 -8.459 -19.898 160 HH21 ARG 22 HH12 ARG 22 -3.635 -10.792 -20.100 161 HH22 ARG 22 HH11 ARG 22 -2.727 -9.587 -20.953 162 H LYS 23 H LYS 23 -1.552 -9.030 -11.750 163 HA LYS 23 HA LYS 23 1.069 -8.499 -12.064 164 HB2 LYS 23 HB2 LYS 23 -0.925 -7.947 -9.916 165 HB3 LYS 23 HB3 LYS 23 0.756 -7.622 -9.547 166 HG2 LYS 23 HG2 LYS 23 0.468 -5.638 -10.622 167 HG3 LYS 23 HG3 LYS 23 0.505 -6.559 -12.112 168 HD2 LYS 23 HD2 LYS 23 -1.696 -6.160 -12.510 169 HD3 LYS 23 HD3 LYS 23 -2.152 -6.721 -10.914 170 HE2 LYS 23 HE2 LYS 23 -1.119 -4.346 -10.170 171 HE3 LYS 23 HE3 LYS 23 -1.495 -3.923 -11.828 172 HZ1 LYS 23 HZ1 LYS 23 -3.457 -5.063 -9.908 173 HZ2 LYS 23 HZ2 LYS 23 -3.374 -3.491 -10.326 174 HZ3 LYS 23 HZ3 LYS 23 -3.739 -4.617 -11.456 175 H ALA 24 H ALA 24 2.549 -10.171 -12.142 176 HA ALA 24 HA ALA 24 3.886 -11.780 -11.420 177 HB1 ALA 24 HB1 ALA 24 4.042 -9.784 -9.606 178 HB2 ALA 24 HB2 ALA 24 3.480 -11.095 -8.541 179 HB3 ALA 24 HB3 ALA 24 4.986 -11.286 -9.470 180 H LYS 25 H LYS 25 4.036 -13.844 -10.048 181 HA LYS 25 HA LYS 25 1.303 -14.821 -9.599 182 HB2 LYS 25 HB2 LYS 25 2.146 -17.035 -10.224 183 HB3 LYS 25 HB3 LYS 25 2.347 -15.874 -11.521 184 HG2 LYS 25 HG2 LYS 25 4.676 -15.966 -9.696 185 HG3 LYS 25 HG3 LYS 25 4.356 -17.509 -10.463 186 HD2 LYS 25 HD2 LYS 25 5.172 -16.765 -12.444 187 HD3 LYS 25 HD3 LYS 25 4.074 -15.400 -12.441 188 HE2 LYS 25 HE2 LYS 25 5.617 -13.996 -11.282 189 HE3 LYS 25 HE3 LYS 25 6.558 -15.352 -10.695 190 HZ1 LYS 25 HZ1 LYS 25 6.364 -14.712 -13.584 191 HZ2 LYS 25 HZ2 LYS 25 7.546 -14.113 -12.637 192 HZ3 LYS 25 HZ3 LYS 25 7.393 -15.730 -12.823 193 H GLU 26 H GLU 26 4.599 -14.435 -8.341 194 HA GLU 26 HA GLU 26 3.696 -14.696 -5.726 195 HB2 GLU 26 HB2 GLU 26 4.526 -17.193 -7.019 196 HB3 GLU 26 HB3 GLU 26 5.532 -16.838 -5.629 197 HG2 GLU 26 HG2 GLU 26 3.013 -16.234 -4.642 198 HG3 GLU 26 HG3 GLU 26 2.643 -17.546 -5.743 199 H ALA 27 H ALA 27 4.896 -12.581 -6.362 200 HA ALA 27 HA ALA 27 7.795 -12.945 -6.219 201 HB1 ALA 27 HB1 ALA 27 5.959 -10.699 -7.094 202 HB2 ALA 27 HB2 ALA 27 7.686 -10.418 -6.765 203 HB3 ALA 27 HB3 ALA 27 7.196 -11.559 -8.041 204 HA PRO 28 HA PRO 28 7.919 -11.433 -2.170 205 HB2 PRO 28 HB2 PRO 28 10.283 -10.064 -2.079 206 HB3 PRO 28 HB3 PRO 28 10.183 -11.811 -1.989 207 HG2 PRO 28 HG2 PRO 28 11.030 -10.117 -4.259 208 HG3 PRO 28 HG3 PRO 28 11.320 -11.825 -3.996 209 HD2 PRO 28 HD2 PRO 28 9.397 -10.665 -5.781 210 HD3 PRO 28 HD3 PRO 28 9.609 -12.370 -5.431 211 H PHE 29 H PHE 29 9.013 -9.124 -1.015 212 HA PHE 29 HA PHE 29 6.876 -7.324 -1.771 213 HB2 PHE 29 HB2 PHE 29 7.695 -6.159 0.327 214 HB3 PHE 29 HB3 PHE 29 7.352 -7.852 0.620 215 HD1 PHE 29 HD1 PHE 29 10.084 -5.430 0.039 216 HD2 PHE 29 HD2 PHE 29 9.052 -9.334 1.343 217 HE1 PHE 29 HE1 PHE 29 12.409 -5.747 0.932 218 HE2 PHE 29 HE2 PHE 29 11.376 -9.651 2.235 219 HZ PHE 29 HZ PHE 29 13.027 -7.854 2.019 220 H VAL 30 H VAL 30 10.121 -7.875 -2.660 221 HA VAL 30 HA VAL 30 11.337 -5.456 -2.707 222 HB VAL 30 HB VAL 30 11.420 -7.942 -4.241 223 HG11 VAL 30 HG11 VAL 30 12.242 -5.345 -5.564 224 HG12 VAL 30 HG12 VAL 30 12.925 -6.923 -6.022 225 HG13 VAL 30 HG13 VAL 30 11.180 -6.623 -6.201 226 HG21 VAL 30 HG21 VAL 30 13.454 -6.004 -3.108 227 HG22 VAL 30 HG22 VAL 30 12.997 -7.610 -2.493 228 HG23 VAL 30 HG23 VAL 30 13.907 -7.466 -4.015 229 HA PRO 31 HA PRO 31 8.866 -4.311 -6.572 230 HB2 PRO 31 HB2 PRO 31 6.766 -5.863 -7.376 231 HB3 PRO 31 HB3 PRO 31 8.377 -6.009 -8.048 232 HG2 PRO 31 HG2 PRO 31 7.000 -7.790 -6.132 233 HG3 PRO 31 HG3 PRO 31 8.404 -8.124 -7.127 234 HD2 PRO 31 HD2 PRO 31 8.389 -7.551 -4.316 235 HD3 PRO 31 HD3 PRO 31 9.799 -7.770 -5.334 236 H VAL 32 H VAL 32 7.290 -5.575 -3.812 237 HA VAL 32 HA VAL 32 4.933 -4.039 -4.076 238 HB VAL 32 HB VAL 32 6.301 -5.364 -1.730 239 HG11 VAL 32 HG11 VAL 32 4.986 -3.853 -0.592 240 HG12 VAL 32 HG12 VAL 32 3.770 -3.763 -1.889 241 HG13 VAL 32 HG13 VAL 32 3.827 -5.184 -0.819 242 HG21 VAL 32 HG21 VAL 32 5.559 -6.932 -3.433 243 HG22 VAL 32 HG22 VAL 32 4.501 -7.051 -2.006 244 HG23 VAL 32 HG23 VAL 32 3.943 -6.187 -3.459 245 H GLY 33 H GLY 33 8.156 -3.515 -2.573 246 HA2 GLY 33 HA2 GLY 33 7.401 -1.012 -1.379 247 HA3 GLY 33 HA3 GLY 33 9.004 -1.712 -1.487 248 H ILE 34 H ILE 34 9.348 -2.076 -4.256 249 HA ILE 34 HA ILE 34 10.089 0.492 -5.044 250 HB ILE 34 HB ILE 34 9.793 -2.104 -6.546 251 HG12 ILE 34 HG12 ILE 34 11.487 -1.849 -4.654 252 HG13 ILE 34 HG13 ILE 34 12.086 -2.411 -6.202 253 HG21 ILE 34 HG21 ILE 34 11.581 -0.462 -7.938 254 HG22 ILE 34 HG22 ILE 34 9.958 -0.980 -8.454 255 HG23 ILE 34 HG23 ILE 34 10.168 0.567 -7.598 256 HD11 ILE 34 HD11 ILE 34 13.134 -0.283 -4.767 257 HD12 ILE 34 HD12 ILE 34 13.385 -0.560 -6.508 258 HD13 ILE 34 HD13 ILE 34 12.098 0.540 -5.958 259 H ALA 35 H ALA 35 7.462 -1.640 -6.384 260 HA ALA 35 HA ALA 35 6.357 0.405 -7.951 261 HB1 ALA 35 HB1 ALA 35 4.884 -1.230 -8.596 262 HB2 ALA 35 HB2 ALA 35 6.094 -2.280 -7.821 263 HB3 ALA 35 HB3 ALA 35 4.627 -1.807 -6.932 264 H GLY 36 H GLY 36 5.632 -0.833 -4.635 265 HA2 GLY 36 HA2 GLY 36 3.336 0.551 -4.068 266 HA3 GLY 36 HA3 GLY 36 4.584 0.154 -2.904 267 H PHE 37 H PHE 37 6.769 1.692 -3.693 268 HA PHE 37 HA PHE 37 6.031 4.214 -2.705 269 HB2 PHE 37 HB2 PHE 37 8.297 2.786 -2.781 270 HB3 PHE 37 HB3 PHE 37 8.532 3.555 -4.338 271 HD1 PHE 37 HD1 PHE 37 8.531 6.121 -4.401 272 HD2 PHE 37 HD2 PHE 37 8.911 3.889 -0.812 273 HE1 PHE 37 HE1 PHE 37 9.527 8.124 -3.261 274 HE2 PHE 37 HE2 PHE 37 9.907 5.891 0.328 275 HZ PHE 37 HZ PHE 37 10.203 7.985 -0.910 276 H ALA 38 H ALA 38 6.656 2.926 -6.003 277 HA ALA 38 HA ALA 38 6.809 5.362 -7.330 278 HB1 ALA 38 HB1 ALA 38 6.603 4.068 -9.286 279 HB2 ALA 38 HB2 ALA 38 7.281 2.923 -8.104 280 HB3 ALA 38 HB3 ALA 38 5.546 2.873 -8.498 281 H ALA 39 H ALA 39 3.946 3.142 -6.967 282 HA ALA 39 HA ALA 39 2.125 4.948 -8.061 283 HB1 ALA 39 HB1 ALA 39 0.607 3.293 -7.619 284 HB2 ALA 39 HB2 ALA 39 2.084 2.338 -7.347 285 HB3 ALA 39 HB3 ALA 39 1.208 3.035 -5.963 286 H ILE 40 H ILE 40 2.738 4.098 -4.575 287 HA ILE 40 HA ILE 40 1.075 5.803 -3.359 288 HB ILE 40 HB ILE 40 3.873 4.944 -2.698 289 HG12 ILE 40 HG12 ILE 40 1.958 3.321 -2.682 290 HG13 ILE 40 HG13 ILE 40 2.824 3.465 -1.166 291 HG21 ILE 40 HG21 ILE 40 3.979 6.859 -1.464 292 HG22 ILE 40 HG22 ILE 40 2.211 6.992 -1.301 293 HG23 ILE 40 HG23 ILE 40 3.110 5.816 -0.312 294 HD11 ILE 40 HD11 ILE 40 0.556 3.539 -0.501 295 HD12 ILE 40 HD12 ILE 40 1.017 5.258 -0.539 296 HD13 ILE 40 HD13 ILE 40 0.087 4.555 -1.885 297 H VAL 41 H VAL 41 4.399 6.680 -4.531 298 HA VAL 41 HA VAL 41 4.324 9.331 -3.812 299 HB VAL 41 HB VAL 41 5.676 7.798 -6.017 300 HG11 VAL 41 HG11 VAL 41 7.079 9.805 -6.446 301 HG12 VAL 41 HG12 VAL 41 5.380 10.029 -6.926 302 HG13 VAL 41 HG13 VAL 41 5.983 10.760 -5.419 303 HG21 VAL 41 HG21 VAL 41 7.575 7.859 -4.660 304 HG22 VAL 41 HG22 VAL 41 6.984 9.250 -3.720 305 HG23 VAL 41 HG23 VAL 41 6.252 7.644 -3.488 306 H ALA 42 H ALA 42 3.289 7.802 -6.938 307 HA ALA 42 HA ALA 42 2.505 10.075 -8.242 308 HB1 ALA 42 HB1 ALA 42 2.626 7.687 -9.094 309 HB2 ALA 42 HB2 ALA 42 1.050 7.406 -8.315 310 HB3 ALA 42 HB3 ALA 42 1.195 8.605 -9.623 311 H TYR 43 H TYR 43 0.401 7.905 -6.213 312 HA TYR 43 HA TYR 43 -1.890 9.373 -6.309 313 HB2 TYR 43 HB2 TYR 43 -0.459 7.449 -4.528 314 HB3 TYR 43 HB3 TYR 43 -1.596 8.442 -3.638 315 HD1 TYR 43 HD2 TYR 43 -1.612 6.677 -6.962 316 HD2 TYR 43 HD1 TYR 43 -3.628 7.408 -3.260 317 HE1 TYR 43 HE2 TYR 43 -3.517 5.160 -7.692 318 HE2 TYR 43 HE1 TYR 43 -5.527 5.889 -4.003 319 HH TYR 43 HH TYR 43 -6.226 5.154 -6.877 320 H GLY 44 H GLY 44 0.632 9.612 -3.693 321 HA2 GLY 44 HA2 GLY 44 -0.401 11.664 -2.240 322 HA3 GLY 44 HA3 GLY 44 1.312 11.391 -2.484 323 H LEU 45 H LEU 45 1.882 12.018 -5.057 324 HA LEU 45 HA LEU 45 1.980 14.748 -5.098 325 HB2 LEU 45 HB2 LEU 45 2.503 12.544 -6.946 326 HB3 LEU 45 HB3 LEU 45 2.056 14.029 -7.762 327 HG LEU 45 HG LEU 45 3.906 14.916 -5.915 328 HD11 LEU 45 HD11 LEU 45 5.676 12.942 -6.903 329 HD12 LEU 45 HD12 LEU 45 5.211 13.267 -5.215 330 HD13 LEU 45 HD13 LEU 45 4.292 12.086 -6.180 331 HD21 LEU 45 HD21 LEU 45 3.534 15.104 -8.577 332 HD22 LEU 45 HD22 LEU 45 5.003 15.662 -7.742 333 HD23 LEU 45 HD23 LEU 45 4.985 14.074 -8.545 334 H TYR 46 H TYR 46 -0.445 12.562 -6.657 335 HA TYR 46 HA TYR 46 -1.900 14.638 -7.866 336 HB2 TYR 46 HB2 TYR 46 -2.133 11.727 -7.101 337 HB3 TYR 46 HB3 TYR 46 -3.667 12.536 -7.350 338 HD1 TYR 46 HD1 TYR 46 -3.936 13.854 -9.602 339 HD2 TYR 46 HD2 TYR 46 -0.979 10.836 -8.931 340 HE1 TYR 46 HE1 TYR 46 -3.699 13.518 -12.111 341 HE2 TYR 46 HE2 TYR 46 -0.752 10.510 -11.442 342 HH TYR 46 HH TYR 46 -2.637 12.508 -13.697 343 H LYS 47 H LYS 47 -2.417 12.796 -4.777 344 HA LYS 47 HA LYS 47 -4.748 14.059 -4.027 345 HB2 LYS 47 HB2 LYS 47 -2.636 12.459 -2.727 346 HB3 LYS 47 HB3 LYS 47 -3.514 13.516 -1.640 347 HG2 LYS 47 HG2 LYS 47 -5.365 12.202 -1.729 348 HG3 LYS 47 HG3 LYS 47 -5.379 12.236 -3.481 349 HD2 LYS 47 HD2 LYS 47 -3.636 10.431 -3.522 350 HD3 LYS 47 HD3 LYS 47 -3.649 10.388 -1.770 351 HE2 LYS 47 HE2 LYS 47 -6.298 10.087 -3.172 352 HE3 LYS 47 HE3 LYS 47 -5.185 8.737 -3.265 353 HZ1 LYS 47 HZ1 LYS 47 -6.516 9.834 -0.904 354 HZ2 LYS 47 HZ2 LYS 47 -6.216 8.278 -1.280 355 HZ3 LYS 47 HZ3 LYS 47 -5.005 9.233 -0.732 356 H LEU 48 H LEU 48 -1.308 15.002 -3.446 357 HA LEU 48 HA LEU 48 -1.601 17.076 -1.765 358 HB2 LEU 48 HB2 LEU 48 0.515 16.251 -2.651 359 HB3 LEU 48 HB3 LEU 48 0.155 16.944 -4.220 360 HG LEU 48 HG LEU 48 -0.066 19.137 -2.564 361 HD11 LEU 48 HD11 LEU 48 2.461 18.620 -1.511 362 HD12 LEU 48 HD12 LEU 48 0.925 18.724 -0.617 363 HD13 LEU 48 HD13 LEU 48 1.526 17.143 -1.173 364 HD21 LEU 48 HD21 LEU 48 1.011 19.127 -4.729 365 HD22 LEU 48 HD22 LEU 48 2.118 19.806 -3.512 366 HD23 LEU 48 HD23 LEU 48 2.351 18.142 -4.097 367 H LYS 49 H LYS 49 -1.733 17.452 -5.383 368 HA LYS 49 HA LYS 49 -2.635 20.069 -5.315 369 HB2 LYS 49 HB2 LYS 49 -2.793 17.866 -7.371 370 HB3 LYS 49 HB3 LYS 49 -3.492 19.444 -7.675 371 HG2 LYS 49 HG2 LYS 49 -0.619 19.150 -6.714 372 HG3 LYS 49 HG3 LYS 49 -1.024 19.038 -8.416 373 HD2 LYS 49 HD2 LYS 49 -2.374 21.357 -7.381 374 HD3 LYS 49 HD3 LYS 49 -0.727 21.413 -6.784 375 HE2 LYS 49 HE2 LYS 49 0.126 21.084 -9.120 376 HE3 LYS 49 HE3 LYS 49 -1.523 21.045 -9.712 377 HZ1 LYS 49 HZ1 LYS 49 -1.782 23.326 -8.730 378 HZ2 LYS 49 HZ2 LYS 49 -0.186 23.351 -8.409 379 HZ3 LYS 49 HZ3 LYS 49 -0.703 23.208 -9.955 380 H SER 50 H SER 50 -4.609 21.047 -5.057 381 HA SER 50 HA SER 50 -6.726 19.257 -4.235 382 HB2 SER 50 HB2 SER 50 -5.833 21.921 -3.478 383 HB3 SER 50 HB3 SER 50 -7.525 21.977 -3.930 384 HG SER 50 HG SER 50 -8.014 20.381 -2.371 385 H ARG 51 H ARG 51 -7.702 18.505 -6.146 386 HA ARG 51 HA ARG 51 -9.541 20.110 -7.350 387 HB2 ARG 51 HB2 ARG 51 -7.012 20.752 -8.373 388 HB3 ARG 51 HB3 ARG 51 -7.623 19.617 -9.560 389 HG2 ARG 51 HG2 ARG 51 -8.767 21.364 -10.458 390 HG3 ARG 51 HG3 ARG 51 -9.846 21.240 -9.083 391 HD2 ARG 51 HD2 ARG 51 -8.621 22.926 -7.843 392 HD3 ARG 51 HD3 ARG 51 -7.277 22.878 -8.967 393 HE ARG 51 HE ARG 51 -9.762 23.574 -10.309 394 HH11 ARG 51 HH22 ARG 51 -7.144 24.909 -8.330 395 HH12 ARG 51 HH21 ARG 51 -7.364 26.527 -8.909 396 HH21 ARG 51 HH12 ARG 51 -10.037 25.679 -11.053 397 HH22 ARG 51 HH11 ARG 51 -9.025 26.961 -10.471 398 H GLY 52 H GLY 52 -10.698 18.118 -6.957 399 HA2 GLY 52 HA2 GLY 52 -11.298 16.438 -8.895 400 HA3 GLY 52 HA3 GLY 52 -9.792 15.720 -8.360 401 H ASN 53 H ASN 53 -11.411 13.873 -7.909 402 HA ASN 53 HA ASN 53 -13.090 14.282 -5.650 403 HB2 ASN 53 HB2 ASN 53 -13.469 11.772 -5.891 404 HB3 ASN 53 HB3 ASN 53 -13.817 12.684 -7.346 405 HD21 ASN 53 HD21 ASN 53 -12.907 12.094 -9.170 406 HD22 ASN 53 HD22 ASN 53 -11.555 11.029 -9.363 407 H THR 54 H THR 54 -12.555 13.773 -3.489 408 HA THR 54 HA THR 54 -10.479 11.922 -2.858 409 HB THR 54 HB THR 54 -9.161 13.963 -3.571 410 HG1 THR 54 HG1 THR 54 -7.891 13.695 -1.681 411 HG21 THR 54 HG21 THR 54 -9.358 16.028 -2.486 412 HG22 THR 54 HG22 THR 54 -11.064 15.520 -2.441 413 HG23 THR 54 HG23 THR 54 -10.030 15.297 -1.008 414 H LYS 55 H LYS 55 -10.379 11.432 -0.596 415 HA LYS 55 HA LYS 55 -12.660 12.568 0.868 416 HB2 LYS 55 HB2 LYS 55 -12.750 10.099 -0.048 417 HB3 LYS 55 HB3 LYS 55 -11.717 9.754 1.324 418 HG2 LYS 55 HG2 LYS 55 -14.135 11.459 1.855 419 HG3 LYS 55 HG3 LYS 55 -14.430 9.770 1.490 420 HD2 LYS 55 HD2 LYS 55 -13.177 9.009 3.370 421 HD3 LYS 55 HD3 LYS 55 -12.325 10.531 3.540 422 HE2 LYS 55 HE2 LYS 55 -14.068 11.550 4.681 423 HE3 LYS 55 HE3 LYS 55 -15.305 10.686 3.790 424 HZ1 LYS 55 HZ1 LYS 55 -13.575 9.277 5.734 425 HZ2 LYS 55 HZ2 LYS 55 -14.946 10.016 6.210 426 HZ3 LYS 55 HZ3 LYS 55 -15.010 8.823 5.092 427 H MET 56 H MET 56 -12.335 13.083 3.052 428 HA MET 56 HA MET 56 -11.230 13.670 4.829 429 HB2 MET 56 HB2 MET 56 -10.382 11.053 4.310 430 HB3 MET 56 HB3 MET 56 -8.854 11.902 4.438 431 HG2 MET 56 HG2 MET 56 -9.069 12.178 6.698 432 HG3 MET 56 HG3 MET 56 -10.733 12.712 6.563 433 HE1 MET 56 HE1 MET 56 -8.913 10.997 8.365 434 HE2 MET 56 HE2 MET 56 -10.019 9.782 9.051 435 HE3 MET 56 HE3 MET 56 -8.755 9.286 7.900 436 H SER 57 H SER 57 -8.910 14.472 5.669 437 HA SER 57 HA SER 57 -7.659 15.777 3.378 438 HB2 SER 57 HB2 SER 57 -8.944 17.371 4.768 439 HB3 SER 57 HB3 SER 57 -8.077 16.854 6.201 440 HG SER 57 HG SER 57 -7.267 18.862 5.159 441 H ILE 58 H ILE 58 -6.294 13.723 3.429 442 HA ILE 58 HA ILE 58 -4.714 13.073 5.626 443 HB ILE 58 HB ILE 58 -4.406 12.606 2.665 444 HG12 ILE 58 HG12 ILE 58 -4.823 10.207 4.050 445 HG13 ILE 58 HG13 ILE 58 -5.907 11.350 4.818 446 HG21 ILE 58 HG21 ILE 58 -2.529 12.032 4.884 447 HG22 ILE 58 HG22 ILE 58 -2.849 10.692 3.757 448 HG23 ILE 58 HG23 ILE 58 -2.231 12.244 3.142 449 HD11 ILE 58 HD11 ILE 58 -7.305 10.883 3.075 450 HD12 ILE 58 HD12 ILE 58 -6.260 11.986 2.147 451 HD13 ILE 58 HD13 ILE 58 -5.984 10.229 2.076 452 H HIS 59 H HIS 59 -3.847 14.974 2.648 453 HA HIS 59 HA HIS 59 -1.394 15.793 3.820 454 HB2 HIS 59 HB2 HIS 59 -2.839 16.190 1.259 455 HB3 HIS 59 HB3 HIS 59 -1.739 17.476 1.718 456 HD1 HIS 59 HD1 HIS 59 -1.574 13.634 1.580 457 HD2 HIS 59 HD2 HIS 59 0.774 17.018 0.782 458 HE1 HIS 59 HE1 HIS 59 0.636 12.766 0.647 459 H LEU 60 H LEU 60 -2.558 16.528 5.889 460 HA LEU 60 HA LEU 60 -3.849 19.113 5.580 461 HB2 LEU 60 HB2 LEU 60 -4.711 17.228 7.044 462 HB3 LEU 60 HB3 LEU 60 -3.363 17.556 8.115 463 HG LEU 60 HG LEU 60 -4.264 19.995 8.151 464 HD11 LEU 60 HD11 LEU 60 -6.769 18.541 7.261 465 HD12 LEU 60 HD12 LEU 60 -6.656 20.235 7.794 466 HD13 LEU 60 HD13 LEU 60 -5.851 19.719 6.293 467 HD21 LEU 60 HD21 LEU 60 -6.240 18.826 9.733 468 HD22 LEU 60 HD22 LEU 60 -4.937 17.615 9.671 469 HD23 LEU 60 HD23 LEU 60 -4.588 19.269 10.227 470 H ILE 61 H ILE 61 -1.358 17.825 7.889 471 HA ILE 61 HA ILE 61 0.163 20.279 7.352 472 HB ILE 61 HB ILE 61 -1.057 20.410 9.483 473 HG12 ILE 61 HG12 ILE 61 1.344 21.338 8.976 474 HG13 ILE 61 HG13 ILE 61 0.662 21.450 10.586 475 HG21 ILE 61 HG21 ILE 61 -1.053 17.958 9.952 476 HG22 ILE 61 HG22 ILE 61 0.665 18.094 10.397 477 HG23 ILE 61 HG23 ILE 61 -0.568 18.970 11.334 478 HD11 ILE 61 HD11 ILE 61 1.944 19.587 11.387 479 HD12 ILE 61 HD12 ILE 61 2.372 19.080 9.736 480 HD13 ILE 61 HD13 ILE 61 3.075 20.564 10.421 481 H HIS 62 H HIS 62 1.900 19.639 6.182 482 HA HIS 62 HA HIS 62 3.930 18.197 7.228 483 HB2 HIS 62 HB2 HIS 62 1.813 16.433 6.191 484 HB3 HIS 62 HB3 HIS 62 3.399 16.100 5.522 485 HD1 HIS 62 HD1 HIS 62 4.980 16.886 8.231 486 HD2 HIS 62 HD2 HIS 62 1.779 14.199 7.869 487 HE1 HIS 62 HE1 HIS 62 5.151 15.298 10.221 488 H MET 63 H MET 63 5.111 16.950 5.029 489 HA MET 63 HA MET 63 4.830 18.926 2.912 490 HB2 MET 63 HB2 MET 63 7.258 18.196 4.561 491 HB3 MET 63 HB3 MET 63 7.526 18.500 2.856 492 HG2 MET 63 HG2 MET 63 5.899 20.639 3.522 493 HG3 MET 63 HG3 MET 63 6.774 20.405 5.022 494 HE1 MET 63 HE1 MET 63 7.841 22.425 5.102 495 HE2 MET 63 HE2 MET 63 9.180 23.017 4.089 496 HE3 MET 63 HE3 MET 63 7.496 23.241 3.558 497 H ARG 64 H ARG 64 3.669 16.350 2.898 498 HA ARG 64 HA ARG 64 3.458 14.636 1.598 499 HB2 ARG 64 HB2 ARG 64 5.864 15.698 0.031 500 HB3 ARG 64 HB3 ARG 64 4.758 14.462 -0.536 501 HG2 ARG 64 HG2 ARG 64 3.189 15.997 -1.156 502 HG3 ARG 64 HG3 ARG 64 3.313 16.861 0.364 503 HD2 ARG 64 HD2 ARG 64 4.374 18.521 -0.773 504 HD3 ARG 64 HD3 ARG 64 5.750 17.445 -0.922 505 HE ARG 64 HE ARG 64 3.681 16.976 -2.948 506 HH11 ARG 64 HH22 ARG 64 6.588 18.838 -2.153 507 HH12 ARG 64 HH21 ARG 64 6.977 19.172 -3.807 508 HH21 ARG 64 HH12 ARG 64 4.198 17.417 -5.093 509 HH22 ARG 64 HH11 ARG 64 5.602 18.354 -5.489 510 H VAL 65 H VAL 65 7.070 15.105 1.442 511 HA VAL 65 HA VAL 65 7.755 12.470 1.693 512 HB VAL 65 HB VAL 65 9.150 14.996 2.583 513 HG11 VAL 65 HG11 VAL 65 9.886 12.214 3.052 514 HG12 VAL 65 HG12 VAL 65 11.108 13.072 2.083 515 HG13 VAL 65 HG13 VAL 65 10.623 13.711 3.672 516 HG21 VAL 65 HG21 VAL 65 9.718 15.261 0.440 517 HG22 VAL 65 HG22 VAL 65 10.295 13.581 0.323 518 HG23 VAL 65 HG23 VAL 65 8.578 13.954 0.039 519 H ALA 66 H ALA 66 7.452 14.934 4.348 520 HA ALA 66 HA ALA 66 8.058 13.304 6.456 521 HB1 ALA 66 HB1 ALA 66 7.274 15.887 6.123 522 HB2 ALA 66 HB2 ALA 66 5.795 15.201 6.836 523 HB3 ALA 66 HB3 ALA 66 7.343 15.075 7.706 524 H ALA 67 H ALA 67 4.721 14.005 5.177 525 HA ALA 67 HA ALA 67 3.376 12.218 6.766 526 HB1 ALA 67 HB1 ALA 67 1.742 12.204 4.765 527 HB2 ALA 67 HB2 ALA 67 2.135 13.781 5.491 528 HB3 ALA 67 HB3 ALA 67 2.910 13.285 3.968 529 H GLN 68 H GLN 68 5.470 11.658 3.963 530 HA GLN 68 HA GLN 68 4.504 9.079 3.423 531 HB2 GLN 68 HB2 GLN 68 6.371 10.893 2.291 532 HB3 GLN 68 HB3 GLN 68 7.300 9.457 2.674 533 HG2 GLN 68 HG2 GLN 68 4.735 9.551 1.017 534 HG3 GLN 68 HG3 GLN 68 6.353 9.280 0.401 535 HE21 GLN 68 HE21 GLN 68 7.359 7.332 0.653 536 HE22 GLN 68 HE22 GLN 68 6.570 5.895 1.213 537 H GLY 69 H GLY 69 7.128 10.427 5.482 538 HA2 GLY 69 HA2 GLY 69 8.352 7.977 6.146 539 HA3 GLY 69 HA3 GLY 69 8.453 9.484 7.035 540 H PHE 70 H PHE 70 5.751 9.945 7.738 541 HA PHE 70 HA PHE 70 5.520 8.325 9.990 542 HB2 PHE 70 HB2 PHE 70 4.017 10.437 8.483 543 HB3 PHE 70 HB3 PHE 70 2.981 9.411 9.454 544 HD1 PHE 70 HD2 PHE 70 6.200 11.280 9.800 545 HD2 PHE 70 HD1 PHE 70 2.555 10.082 11.614 546 HE1 PHE 70 HE2 PHE 70 6.769 12.632 11.837 547 HE2 PHE 70 HE1 PHE 70 3.125 11.434 13.650 548 HZ PHE 70 HZ PHE 70 5.225 12.693 13.738 549 H VAL 71 H VAL 71 3.530 8.405 6.945 550 HA VAL 71 HA VAL 71 1.900 6.261 7.656 551 HB VAL 71 HB VAL 71 2.737 7.418 4.995 552 HG11 VAL 71 HG11 VAL 71 0.210 5.996 4.939 553 HG12 VAL 71 HG12 VAL 71 1.633 5.827 3.883 554 HG13 VAL 71 HG13 VAL 71 1.540 4.909 5.406 555 HG21 VAL 71 HG21 VAL 71 1.377 9.074 5.636 556 HG22 VAL 71 HG22 VAL 71 0.033 7.919 5.468 557 HG23 VAL 71 HG23 VAL 71 0.809 8.158 7.052 558 H VAL 72 H VAL 72 5.051 6.427 5.905 559 HA VAL 72 HA VAL 72 5.209 3.812 5.087 560 HB VAL 72 HB VAL 72 7.171 5.932 5.855 561 HG11 VAL 72 HG11 VAL 72 8.794 4.026 4.734 562 HG12 VAL 72 HG12 VAL 72 8.682 4.381 6.475 563 HG13 VAL 72 HG13 VAL 72 7.740 3.041 5.776 564 HG21 VAL 72 HG21 VAL 72 7.265 4.494 3.255 565 HG22 VAL 72 HG22 VAL 72 5.809 5.467 3.572 566 HG23 VAL 72 HG23 VAL 72 7.416 6.230 3.616 567 H GLY 73 H GLY 73 6.125 5.269 8.272 568 HA2 GLY 73 HA2 GLY 73 7.145 2.952 9.447 569 HA3 GLY 73 HA3 GLY 73 6.464 4.332 10.285 570 H ALA 74 H ALA 74 3.834 4.430 9.818 571 HA ALA 74 HA ALA 74 2.715 2.510 11.376 572 HB1 ALA 74 HB1 ALA 74 1.486 4.099 9.087 573 HB2 ALA 74 HB2 ALA 74 0.558 3.241 10.340 574 HB3 ALA 74 HB3 ALA 74 1.611 4.603 10.790 575 H MET 75 H MET 75 2.761 2.575 7.741 576 HA MET 75 HA MET 75 1.467 0.200 7.377 577 HB2 MET 75 HB2 MET 75 3.396 1.920 5.845 578 HB3 MET 75 HB3 MET 75 3.259 0.271 5.266 579 HG2 MET 75 HG2 MET 75 0.586 1.193 5.786 580 HG3 MET 75 HG3 MET 75 1.402 2.471 4.906 581 HE1 MET 75 HE1 MET 75 -0.793 -0.412 2.813 582 HE2 MET 75 HE2 MET 75 -0.430 -0.973 4.462 583 HE3 MET 75 HE3 MET 75 -1.030 0.681 4.197 584 H THR 76 H THR 76 5.054 0.790 7.535 585 HA THR 76 HA THR 76 5.992 -1.713 7.138 586 HB THR 76 HB THR 76 6.832 0.513 9.053 587 HG1 THR 76 HG1 THR 76 8.303 0.789 7.226 588 HG21 THR 76 HG21 THR 76 8.290 -2.063 8.273 589 HG22 THR 76 HG22 THR 76 9.119 -0.621 8.906 590 HG23 THR 76 HG23 THR 76 7.943 -1.489 9.921 591 H VAL 77 H VAL 77 4.791 -0.434 10.307 592 HA VAL 77 HA VAL 77 5.236 -2.791 11.713 593 HB VAL 77 HB VAL 77 3.264 -0.533 12.071 594 HG11 VAL 77 HG11 VAL 77 3.702 -3.016 13.676 595 HG12 VAL 77 HG12 VAL 77 3.444 -1.489 14.554 596 HG13 VAL 77 HG13 VAL 77 2.217 -2.073 13.404 597 HG21 VAL 77 HG21 VAL 77 6.083 -1.054 12.903 598 HG22 VAL 77 HG22 VAL 77 5.284 0.469 12.442 599 HG23 VAL 77 HG23 VAL 77 5.022 -0.219 14.063 600 H GLY 78 H GLY 78 2.291 -1.581 9.978 601 HA2 GLY 78 HA2 GLY 78 0.543 -3.615 10.562 602 HA3 GLY 78 HA3 GLY 78 0.568 -2.703 9.066 603 H MET 79 H MET 79 3.011 -3.466 7.900 604 HA MET 79 HA MET 79 2.288 -5.921 6.813 605 HB2 MET 79 HB2 MET 79 3.664 -4.096 5.703 606 HB3 MET 79 HB3 MET 79 4.997 -4.475 6.777 607 HG2 MET 79 HG2 MET 79 5.452 -5.653 4.727 608 HG3 MET 79 HG3 MET 79 4.927 -6.873 5.870 609 HE1 MET 79 HE1 MET 79 1.951 -8.433 4.395 610 HE2 MET 79 HE2 MET 79 3.688 -8.765 4.596 611 HE3 MET 79 HE3 MET 79 2.763 -8.027 5.926 612 H GLY 80 H GLY 80 4.916 -4.980 9.129 613 HA2 GLY 80 HA2 GLY 80 6.222 -7.370 9.405 614 HA3 GLY 80 HA3 GLY 80 6.004 -6.192 10.683 615 H TYR 81 H TYR 81 3.111 -6.311 10.910 616 HA TYR 81 HA TYR 81 2.937 -8.799 12.383 617 HB2 TYR 81 HB2 TYR 81 1.717 -6.076 12.219 618 HB3 TYR 81 HB3 TYR 81 0.512 -7.321 12.485 619 HD1 TYR 81 HD2 TYR 81 0.939 -8.968 14.462 620 HD2 TYR 81 HD1 TYR 81 2.930 -5.206 14.028 621 HE1 TYR 81 HE2 TYR 81 1.498 -8.970 16.942 622 HE2 TYR 81 HE1 TYR 81 3.482 -5.221 16.510 623 HH TYR 81 HH TYR 81 1.969 -7.190 18.681 624 H SER 82 H SER 82 1.994 -7.499 9.288 625 HA SER 82 HA SER 82 0.482 -8.096 7.804 626 HB2 SER 82 HB2 SER 82 2.310 -9.754 7.511 627 HB3 SER 82 HB3 SER 82 1.516 -10.846 8.628 628 HG SER 82 HG SER 82 1.164 -11.161 6.211 629 H MET 83 H MET 83 -1.399 -7.386 9.135 630 HA MET 83 HA MET 83 -3.370 -7.647 10.015 631 HB2 MET 83 HB2 MET 83 -2.994 -10.030 8.267 632 HB3 MET 83 HB3 MET 83 -4.216 -10.278 9.498 633 HG2 MET 83 HG2 MET 83 -5.146 -7.935 8.746 634 HG3 MET 83 HG3 MET 83 -4.153 -8.157 7.320 635 HE1 MET 83 HE1 MET 83 -5.981 -8.105 5.699 636 HE2 MET 83 HE2 MET 83 -7.419 -9.153 5.662 637 HE3 MET 83 HE3 MET 83 -7.282 -7.874 6.892 638 H TYR 84 H TYR 84 -4.656 -8.659 11.797 639 HA TYR 84 HA TYR 84 -3.269 -9.154 14.036 640 HB2 TYR 84 HB2 TYR 84 -5.953 -9.624 12.887 641 HB3 TYR 84 HB3 TYR 84 -5.576 -10.885 14.043 642 HD1 TYR 84 HD2 TYR 84 -4.361 -9.810 16.292 643 HD2 TYR 84 HD1 TYR 84 -7.188 -7.865 13.736 644 HE1 TYR 84 HE2 TYR 84 -5.021 -8.256 18.192 645 HE2 TYR 84 HE1 TYR 84 -7.839 -6.318 15.646 646 HH TYR 84 HH TYR 84 -7.264 -5.591 17.645 647 H ARG 85 H ARG 85 -1.571 -10.543 14.295 648 HA ARG 85 HA ARG 85 -2.195 -13.324 14.016 649 HB2 ARG 85 HB2 ARG 85 -0.741 -11.998 11.963 650 HB3 ARG 85 HB3 ARG 85 0.477 -12.848 12.894 651 HG2 ARG 85 HG2 ARG 85 -0.590 -14.980 12.552 652 HG3 ARG 85 HG3 ARG 85 -2.078 -14.239 12.000 653 HD2 ARG 85 HD2 ARG 85 -1.258 -14.618 9.897 654 HD3 ARG 85 HD3 ARG 85 -0.277 -13.194 10.181 655 HE ARG 85 HE ARG 85 1.617 -14.560 10.404 656 HH11 ARG 85 HH22 ARG 85 -1.290 -16.573 10.630 657 HH12 ARG 85 HH21 ARG 85 -0.410 -18.065 10.589 658 HH21 ARG 85 HH12 ARG 85 2.748 -16.504 10.351 659 HH22 ARG 85 HH11 ARG 85 1.906 -18.018 10.429 660 H GLU 86 H GLU 86 0.583 -11.005 14.474 661 HA GLU 86 HA GLU 86 1.993 -10.727 16.105 662 HB2 GLU 86 HB2 GLU 86 -0.154 -10.938 17.537 663 HB3 GLU 86 HB3 GLU 86 0.370 -12.571 17.897 664 HG2 GLU 86 HG2 GLU 86 2.682 -11.361 18.495 665 HG3 GLU 86 HG3 GLU 86 1.657 -9.951 18.679 666 H PHE 87 H PHE 87 3.528 -11.928 14.760 667 HA PHE 87 HA PHE 87 4.701 -14.073 16.175 668 HB2 PHE 87 HB2 PHE 87 2.616 -14.960 14.733 669 HB3 PHE 87 HB3 PHE 87 3.686 -14.721 13.365 670 HD1 PHE 87 HD1 PHE 87 3.514 -16.453 16.657 671 HD2 PHE 87 HD2 PHE 87 5.170 -16.405 12.750 672 HE1 PHE 87 HE1 PHE 87 4.535 -18.710 17.062 673 HE2 PHE 87 HE2 PHE 87 6.192 -18.661 13.155 674 HZ PHE 87 HZ PHE 87 5.862 -19.787 15.306 675 H TRP 88 H TRP 88 6.539 -12.689 16.048 676 HA TRP 88 HA TRP 88 7.582 -12.336 13.322 677 HB2 TRP 88 HB2 TRP 88 7.132 -10.436 15.299 678 HB3 TRP 88 HB3 TRP 88 8.853 -10.747 15.405 679 HD1 TRP 88 HD1 TRP 88 8.725 -11.324 11.973 680 HE1 TRP 88 HE1 TRP 88 8.961 -9.226 10.391 681 HE3 TRP 88 HE3 TRP 88 7.568 -7.865 15.516 682 HZ2 TRP 88 HZ2 TRP 88 8.644 -6.418 10.789 683 HZ3 TRP 88 HZ3 TRP 88 7.554 -5.467 14.836 684 HH2 TRP 88 HH2 TRP 88 8.067 -4.723 12.565 685 H ALA 89 H ALA 89 9.966 -12.648 13.113 686 HA ALA 89 HA ALA 89 11.160 -14.201 15.271 687 HB1 ALA 89 HB1 ALA 89 9.924 -15.504 13.199 688 HB2 ALA 89 HB2 ALA 89 11.577 -15.328 12.562 689 HB3 ALA 89 HB3 ALA 89 11.305 -16.153 14.116 690 H LYS 90 H LYS 90 11.721 -13.199 11.815 691 HA LYS 90 HA LYS 90 13.348 -12.038 10.878 692 HB2 LYS 90 HB2 LYS 90 12.739 -10.575 13.070 693 HB3 LYS 90 HB3 LYS 90 14.427 -10.902 13.404 694 HG2 LYS 90 HG2 LYS 90 15.162 -9.575 11.683 695 HG3 LYS 90 HG3 LYS 90 13.924 -10.144 10.581 696 HD2 LYS 90 HD2 LYS 90 12.244 -8.716 11.915 697 HD3 LYS 90 HD3 LYS 90 13.619 -8.017 12.747 698 HE2 LYS 90 HE2 LYS 90 14.545 -7.164 10.641 699 HE3 LYS 90 HE3 LYS 90 13.336 -8.022 9.706 700 HZ1 LYS 90 HZ1 LYS 90 11.903 -6.338 10.035 701 HZ2 LYS 90 HZ2 LYS 90 12.086 -6.366 11.653 702 HZ3 LYS 90 HZ3 LYS 90 13.135 -5.515 10.729 703 HA PRO 91 HA PRO 91 16.348 -15.192 11.817 704 HB2 PRO 91 HB2 PRO 91 16.814 -15.954 9.234 705 HB3 PRO 91 HB3 PRO 91 15.601 -16.706 10.251 706 HG2 PRO 91 HG2 PRO 91 15.228 -14.795 8.027 707 HG3 PRO 91 HG3 PRO 91 14.053 -15.866 8.762 708 HD2 PRO 91 HD2 PRO 91 14.294 -13.039 9.179 709 HD3 PRO 91 HD3 PRO 91 13.195 -14.129 10.001 710 H LYS 92 H LYS 92 16.548 -12.776 9.279 711 HA LYS 92 HA LYS 92 18.305 -11.667 8.479 712 HB2 LYS 92 HB2 LYS 92 17.768 -10.891 11.017 713 HB3 LYS 92 HB3 LYS 92 19.457 -11.320 11.196 714 HG2 LYS 92 HG2 LYS 92 19.875 -9.908 9.051 715 HG3 LYS 92 HG3 LYS 92 18.249 -9.294 9.271 716 HD2 LYS 92 HD2 LYS 92 18.897 -8.604 11.633 717 HD3 LYS 92 HD3 LYS 92 20.543 -9.088 11.276 718 HE2 LYS 92 HE2 LYS 92 19.759 -7.423 9.102 719 HE3 LYS 92 HE3 LYS 92 19.150 -6.626 10.539 720 HZ1 LYS 92 HZ1 LYS 92 21.323 -6.540 11.453 721 HZ2 LYS 92 HZ2 LYS 92 21.939 -7.614 10.396 722 HZ3 LYS 92 HZ3 LYS 92 21.483 -6.131 9.876 723 HA PRO 93 HA PRO 93 21.242 -15.028 8.444 724 HB2 PRO 93 HB2 PRO 93 21.558 -15.141 5.731 725 HB3 PRO 93 HB3 PRO 93 20.382 -16.107 6.600 726 HG2 PRO 93 HG2 PRO 93 19.940 -13.707 4.931 727 HG3 PRO 93 HG3 PRO 93 18.779 -14.914 5.447 728 HD2 PRO 93 HD2 PRO 93 19.106 -12.276 6.526 729 HD3 PRO 93 HD3 PRO 93 18.026 -13.524 7.116 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -24.187 -6.537 7.495 2 HA MET 1 HA MET 1 -22.276 -7.885 7.310 3 HB2 MET 1 HB2 MET 1 -24.336 -7.878 5.115 4 HB3 MET 1 HB3 MET 1 -22.926 -8.875 4.817 5 HG2 MET 1 HG2 MET 1 -24.000 -10.475 6.042 6 HG3 MET 1 HG3 MET 1 -23.529 -9.540 7.448 7 HE1 MET 1 HE1 MET 1 -25.901 -11.318 5.866 8 HE2 MET 1 HE2 MET 1 -27.500 -10.785 6.440 9 HE3 MET 1 HE3 MET 1 -26.825 -10.115 4.935 10 H SER 2 H SER 2 -20.193 -7.088 7.114 11 HA SER 2 HA SER 2 -19.299 -6.702 4.401 12 HB2 SER 2 HB2 SER 2 -19.448 -4.555 6.456 13 HB3 SER 2 HB3 SER 2 -17.896 -4.680 5.652 14 HG SER 2 HG SER 2 -19.917 -4.886 3.796 15 H THR 3 H THR 3 -18.087 -8.642 4.594 16 HA THR 3 HA THR 3 -15.797 -8.434 6.414 17 HB THR 3 HB THR 3 -17.409 -9.893 7.551 18 HG1 THR 3 HG1 THR 3 -15.972 -11.718 7.547 19 HG21 THR 3 HG21 THR 3 -18.121 -12.037 6.406 20 HG22 THR 3 HG22 THR 3 -18.853 -10.591 5.671 21 HG23 THR 3 HG23 THR 3 -17.475 -11.391 4.879 22 H ASP 4 H ASP 4 -13.883 -9.488 5.702 23 HA ASP 4 HA ASP 4 -13.829 -9.622 2.838 24 HB2 ASP 4 HB2 ASP 4 -11.801 -9.500 5.066 25 HB3 ASP 4 HB3 ASP 4 -11.277 -10.170 3.534 26 H THR 5 H THR 5 -14.769 -11.656 2.252 27 HA THR 5 HA THR 5 -13.161 -13.933 2.424 28 HB THR 5 HB THR 5 -13.832 -13.913 4.826 29 HG1 THR 5 HG1 THR 5 -15.380 -15.819 3.222 30 HG21 THR 5 HG21 THR 5 -16.099 -14.029 5.536 31 HG22 THR 5 HG22 THR 5 -16.161 -12.791 4.258 32 HG23 THR 5 HG23 THR 5 -16.680 -14.458 3.909 33 H GLY 6 H GLY 6 -13.534 -14.787 0.486 34 HA2 GLY 6 HA2 GLY 6 -14.642 -15.593 -1.295 35 HA3 GLY 6 HA3 GLY 6 -16.070 -15.726 -0.288 36 H VAL 7 H VAL 7 -14.187 -13.550 -2.423 37 HA VAL 7 HA VAL 7 -14.760 -11.789 -3.627 38 HB VAL 7 HB VAL 7 -17.497 -13.017 -3.281 39 HG11 VAL 7 HG11 VAL 7 -17.724 -10.612 -3.771 40 HG12 VAL 7 HG12 VAL 7 -16.673 -10.807 -5.195 41 HG13 VAL 7 HG13 VAL 7 -18.256 -11.619 -5.139 42 HG21 VAL 7 HG21 VAL 7 -16.771 -14.488 -4.790 43 HG22 VAL 7 HG22 VAL 7 -16.550 -13.157 -5.951 44 HG23 VAL 7 HG23 VAL 7 -15.203 -13.652 -4.898 45 H SER 8 H SER 8 -14.273 -9.917 -2.587 46 HA SER 8 HA SER 8 -15.739 -9.218 -0.242 47 HB2 SER 8 HB2 SER 8 -14.209 -7.160 -0.339 48 HB3 SER 8 HB3 SER 8 -13.412 -8.711 -0.163 49 HG SER 8 HG SER 8 -12.813 -6.941 -1.966 50 H LEU 9 H LEU 9 -15.056 -7.618 -3.447 51 HA LEU 9 HA LEU 9 -16.137 -6.012 -4.531 52 HB2 LEU 9 HB2 LEU 9 -17.903 -8.218 -4.074 53 HB3 LEU 9 HB3 LEU 9 -18.843 -6.740 -4.089 54 HG LEU 9 HG LEU 9 -16.852 -7.174 -6.283 55 HD11 LEU 9 HD11 LEU 9 -18.075 -8.708 -7.469 56 HD12 LEU 9 HD12 LEU 9 -18.337 -9.293 -5.808 57 HD13 LEU 9 HD13 LEU 9 -19.593 -8.328 -6.620 58 HD21 LEU 9 HD21 LEU 9 -18.703 -6.047 -7.587 59 HD22 LEU 9 HD22 LEU 9 -19.533 -5.799 -6.031 60 HD23 LEU 9 HD23 LEU 9 -17.935 -5.068 -6.315 61 HA PRO 10 HA PRO 10 -17.113 -3.605 -0.831 62 HB2 PRO 10 HB2 PRO 10 -15.124 -1.746 -1.069 63 HB3 PRO 10 HB3 PRO 10 -14.976 -3.186 -0.082 64 HG2 PRO 10 HG2 PRO 10 -13.760 -2.612 -2.714 65 HG3 PRO 10 HG3 PRO 10 -13.304 -3.826 -1.535 66 HD2 PRO 10 HD2 PRO 10 -14.759 -4.258 -3.969 67 HD3 PRO 10 HD3 PRO 10 -14.404 -5.450 -2.734 68 H SER 11 H SER 11 -15.814 -2.029 -3.723 69 HA SER 11 HA SER 11 -18.409 -0.803 -4.024 70 HB2 SER 11 HB2 SER 11 -16.290 0.608 -2.835 71 HB3 SER 11 HB3 SER 11 -16.255 1.144 -4.503 72 HG SER 11 HG SER 11 -18.293 1.999 -4.335 73 H TYR 12 H TYR 12 -18.949 -1.446 -6.081 74 HA TYR 12 HA TYR 12 -18.660 -2.178 -8.183 75 HB2 TYR 12 HB2 TYR 12 -17.632 0.612 -7.761 76 HB3 TYR 12 HB3 TYR 12 -17.094 -0.100 -9.269 77 HD1 TYR 12 HD2 TYR 12 -18.962 -1.154 -10.786 78 HD2 TYR 12 HD1 TYR 12 -19.719 1.663 -7.655 79 HE1 TYR 12 HE2 TYR 12 -21.187 -0.549 -11.857 80 HE2 TYR 12 HE1 TYR 12 -21.941 2.258 -8.738 81 HH TYR 12 HH TYR 12 -22.679 1.596 -11.816 82 H GLU 13 H GLU 13 -17.360 -4.061 -7.987 83 HA GLU 13 HA GLU 13 -14.701 -3.639 -9.020 84 HB2 GLU 13 HB2 GLU 13 -15.105 -4.139 -6.275 85 HB3 GLU 13 HB3 GLU 13 -14.654 -5.699 -6.932 86 HG2 GLU 13 HG2 GLU 13 -13.043 -3.339 -7.858 87 HG3 GLU 13 HG3 GLU 13 -12.828 -3.825 -6.188 88 H GLU 14 H GLU 14 -15.736 -4.505 -10.965 89 HA GLU 14 HA GLU 14 -15.597 -7.352 -10.974 90 HB2 GLU 14 HB2 GLU 14 -17.857 -7.724 -11.892 91 HB3 GLU 14 HB3 GLU 14 -17.947 -7.029 -10.286 92 HG2 GLU 14 HG2 GLU 14 -19.223 -5.355 -11.127 93 HG3 GLU 14 HG3 GLU 14 -17.834 -4.799 -12.040 94 H ASP 15 H ASP 15 -13.735 -6.168 -12.228 95 HA ASP 15 HA ASP 15 -14.690 -5.597 -14.920 96 HB2 ASP 15 HB2 ASP 15 -11.960 -4.910 -13.749 97 HB3 ASP 15 HB3 ASP 15 -12.648 -4.305 -15.243 98 H GLN 16 H GLN 16 -11.780 -6.876 -13.117 99 HA GLN 16 HA GLN 16 -11.848 -9.315 -14.488 100 HB2 GLN 16 HB2 GLN 16 -10.869 -7.520 -16.188 101 HB3 GLN 16 HB3 GLN 16 -9.401 -7.715 -15.251 102 HG2 GLN 16 HG2 GLN 16 -9.091 -9.387 -16.847 103 HG3 GLN 16 HG3 GLN 16 -9.870 -10.313 -15.580 104 HE21 GLN 16 HE21 GLN 16 -9.952 -9.342 -18.794 105 HE22 GLN 16 HE22 GLN 16 -11.533 -9.890 -19.240 106 H GLY 17 H GLY 17 -11.913 -9.172 -11.898 107 HA2 GLY 17 HA2 GLY 17 -9.881 -8.599 -10.253 108 HA3 GLY 17 HA3 GLY 17 -10.853 -10.048 -10.093 109 H SER 18 H SER 18 -10.142 -11.759 -12.048 110 HA SER 18 HA SER 18 -7.888 -12.910 -11.220 111 HB2 SER 18 HB2 SER 18 -7.792 -13.993 -13.527 112 HB3 SER 18 HB3 SER 18 -9.338 -14.097 -12.709 113 HG SER 18 HG SER 18 -8.895 -13.131 -15.143 114 H LYS 19 H LYS 19 -8.184 -10.536 -13.951 115 HA LYS 19 HA LYS 19 -5.513 -10.556 -14.695 116 HB2 LYS 19 HB2 LYS 19 -7.905 -9.035 -15.268 117 HB3 LYS 19 HB3 LYS 19 -6.530 -7.958 -15.136 118 HG2 LYS 19 HG2 LYS 19 -5.319 -9.820 -16.625 119 HG3 LYS 19 HG3 LYS 19 -6.961 -10.254 -17.055 120 HD2 LYS 19 HD2 LYS 19 -6.926 -7.437 -17.248 121 HD3 LYS 19 HD3 LYS 19 -5.372 -7.926 -17.894 122 HE2 LYS 19 HE2 LYS 19 -7.069 -9.785 -19.071 123 HE3 LYS 19 HE3 LYS 19 -8.099 -8.369 -18.996 124 HZ1 LYS 19 HZ1 LYS 19 -5.608 -7.488 -19.872 125 HZ2 LYS 19 HZ2 LYS 19 -5.921 -8.833 -20.734 126 HZ3 LYS 19 HZ3 LYS 19 -7.007 -7.609 -20.711 127 H LEU 20 H LEU 20 -7.274 -8.629 -12.205 128 HA LEU 20 HA LEU 20 -5.109 -6.994 -11.537 129 HB2 LEU 20 HB2 LEU 20 -7.791 -7.487 -10.663 130 HB3 LEU 20 HB3 LEU 20 -6.743 -7.424 -9.261 131 HG LEU 20 HG LEU 20 -7.690 -5.240 -9.727 132 HD11 LEU 20 HD11 LEU 20 -5.831 -4.337 -8.928 133 HD12 LEU 20 HD12 LEU 20 -4.937 -5.798 -9.410 134 HD13 LEU 20 HD13 LEU 20 -5.060 -4.421 -10.530 135 HD21 LEU 20 HD21 LEU 20 -8.082 -5.479 -12.122 136 HD22 LEU 20 HD22 LEU 20 -7.164 -3.995 -11.771 137 HD23 LEU 20 HD23 LEU 20 -6.329 -5.423 -12.429 138 H ILE 21 H ILE 21 -5.860 -10.362 -10.853 139 HA ILE 21 HA ILE 21 -3.954 -10.456 -8.675 140 HB ILE 21 HB ILE 21 -5.737 -12.521 -9.961 141 HG12 ILE 21 HG12 ILE 21 -6.988 -10.925 -8.671 142 HG13 ILE 21 HG13 ILE 21 -6.911 -12.433 -7.781 143 HG21 ILE 21 HG21 ILE 21 -5.023 -14.110 -8.340 144 HG22 ILE 21 HG22 ILE 21 -3.562 -13.465 -9.125 145 HG23 ILE 21 HG23 ILE 21 -4.021 -12.903 -7.499 146 HD11 ILE 21 HD11 ILE 21 -4.628 -11.082 -6.897 147 HD12 ILE 21 HD12 ILE 21 -5.836 -9.785 -7.069 148 HD13 ILE 21 HD13 ILE 21 -6.177 -11.187 -6.026 149 H ARG 22 H ARG 22 -4.074 -10.788 -12.138 150 HA ARG 22 HA ARG 22 -2.068 -12.659 -12.460 151 HB2 ARG 22 HB2 ARG 22 -3.729 -11.267 -14.143 152 HB3 ARG 22 HB3 ARG 22 -2.231 -10.407 -14.439 153 HG2 ARG 22 HG2 ARG 22 -1.419 -12.117 -15.691 154 HG3 ARG 22 HG3 ARG 22 -1.690 -13.263 -14.394 155 HD2 ARG 22 HD2 ARG 22 -3.612 -14.059 -15.345 156 HD3 ARG 22 HD3 ARG 22 -4.214 -12.450 -15.690 157 HE ARG 22 HE ARG 22 -3.288 -12.573 -17.848 158 HH11 ARG 22 HH22 ARG 22 -1.977 -15.197 -15.860 159 HH12 ARG 22 HH21 ARG 22 -1.216 -15.995 -17.195 160 HH21 ARG 22 HH12 ARG 22 -2.295 -13.620 -19.574 161 HH22 ARG 22 HH11 ARG 22 -1.403 -15.086 -19.323 162 H LYS 23 H LYS 23 -0.152 -12.376 -11.285 163 HA LYS 23 HA LYS 23 1.580 -10.279 -12.158 164 HB2 LYS 23 HB2 LYS 23 1.936 -9.210 -10.020 165 HB3 LYS 23 HB3 LYS 23 0.252 -9.061 -10.479 166 HG2 LYS 23 HG2 LYS 23 -0.488 -10.499 -8.806 167 HG3 LYS 23 HG3 LYS 23 0.971 -11.470 -8.839 168 HD2 LYS 23 HD2 LYS 23 2.115 -10.071 -7.373 169 HD3 LYS 23 HD3 LYS 23 1.287 -8.628 -7.924 170 HE2 LYS 23 HE2 LYS 23 0.092 -8.799 -5.984 171 HE3 LYS 23 HE3 LYS 23 -0.815 -10.045 -6.819 172 HZ1 LYS 23 HZ1 LYS 23 0.822 -11.679 -5.926 173 HZ2 LYS 23 HZ2 LYS 23 1.536 -10.497 -5.062 174 HZ3 LYS 23 HZ3 LYS 23 -0.028 -10.882 -4.779 175 H ALA 24 H ALA 24 3.546 -10.480 -10.172 176 HA ALA 24 HA ALA 24 4.604 -13.035 -10.804 177 HB1 ALA 24 HB1 ALA 24 6.303 -11.516 -10.596 178 HB2 ALA 24 HB2 ALA 24 5.442 -10.559 -9.367 179 HB3 ALA 24 HB3 ALA 24 6.272 -12.063 -8.903 180 H LYS 25 H LYS 25 4.485 -14.935 -9.690 181 HA LYS 25 HA LYS 25 2.639 -15.289 -7.678 182 HB2 LYS 25 HB2 LYS 25 4.670 -16.866 -9.054 183 HB3 LYS 25 HB3 LYS 25 4.509 -17.345 -7.376 184 HG2 LYS 25 HG2 LYS 25 2.031 -17.549 -7.672 185 HG3 LYS 25 HG3 LYS 25 2.191 -17.070 -9.350 186 HD2 LYS 25 HD2 LYS 25 2.812 -19.164 -9.988 187 HD3 LYS 25 HD3 LYS 25 4.030 -19.263 -8.732 188 HE2 LYS 25 HE2 LYS 25 2.565 -20.239 -7.181 189 HE3 LYS 25 HE3 LYS 25 1.143 -19.507 -7.896 190 HZ1 LYS 25 HZ1 LYS 25 1.446 -21.962 -8.335 191 HZ2 LYS 25 HZ2 LYS 25 1.202 -21.070 -9.675 192 HZ3 LYS 25 HZ3 LYS 25 2.716 -21.547 -9.279 193 H GLU 26 H GLU 26 3.327 -16.336 -5.428 194 HA GLU 26 HA GLU 26 4.181 -16.062 -3.448 195 HB2 GLU 26 HB2 GLU 26 6.431 -15.776 -5.121 196 HB3 GLU 26 HB3 GLU 26 6.543 -14.418 -4.019 197 HG2 GLU 26 HG2 GLU 26 7.550 -15.963 -2.646 198 HG3 GLU 26 HG3 GLU 26 5.895 -16.360 -2.224 199 H ALA 27 H ALA 27 5.358 -14.017 -2.011 200 HA ALA 27 HA ALA 27 3.872 -11.608 -2.766 201 HB1 ALA 27 HB1 ALA 27 2.540 -11.687 -0.946 202 HB2 ALA 27 HB2 ALA 27 3.028 -13.392 -0.794 203 HB3 ALA 27 HB3 ALA 27 3.894 -12.134 0.119 204 HA PRO 28 HA PRO 28 8.198 -10.871 -1.525 205 HB2 PRO 28 HB2 PRO 28 9.123 -9.813 -3.869 206 HB3 PRO 28 HB3 PRO 28 9.319 -11.500 -3.435 207 HG2 PRO 28 HG2 PRO 28 7.452 -10.293 -5.383 208 HG3 PRO 28 HG3 PRO 28 7.961 -11.964 -5.240 209 HD2 PRO 28 HD2 PRO 28 5.452 -10.857 -4.401 210 HD3 PRO 28 HD3 PRO 28 6.008 -12.501 -4.154 211 H PHE 29 H PHE 29 9.170 -8.966 -0.789 212 HA PHE 29 HA PHE 29 7.260 -6.793 -0.845 213 HB2 PHE 29 HB2 PHE 29 9.841 -7.543 0.615 214 HB3 PHE 29 HB3 PHE 29 9.233 -5.905 0.737 215 HD1 PHE 29 HD2 PHE 29 7.485 -9.206 0.773 216 HD2 PHE 29 HD1 PHE 29 8.358 -5.611 2.850 217 HE1 PHE 29 HE2 PHE 29 5.958 -9.912 2.636 218 HE2 PHE 29 HE1 PHE 29 6.832 -6.316 4.714 219 HZ PHE 29 HZ PHE 29 5.650 -8.459 4.584 220 H VAL 30 H VAL 30 10.108 -7.812 -2.533 221 HA VAL 30 HA VAL 30 11.496 -5.515 -2.985 222 HB VAL 30 HB VAL 30 11.047 -8.076 -4.320 223 HG11 VAL 30 HG11 VAL 30 11.652 -5.616 -5.963 224 HG12 VAL 30 HG12 VAL 30 12.267 -7.219 -6.433 225 HG13 VAL 30 HG13 VAL 30 10.514 -6.942 -6.300 226 HG21 VAL 30 HG21 VAL 30 13.513 -6.320 -4.078 227 HG22 VAL 30 HG22 VAL 30 12.983 -7.515 -2.870 228 HG23 VAL 30 HG23 VAL 30 13.469 -8.050 -4.496 229 HA PRO 31 HA PRO 31 8.330 -4.354 -6.300 230 HB2 PRO 31 HB2 PRO 31 5.985 -5.741 -6.513 231 HB3 PRO 31 HB3 PRO 31 7.390 -6.075 -7.506 232 HG2 PRO 31 HG2 PRO 31 6.335 -7.611 -5.210 233 HG3 PRO 31 HG3 PRO 31 7.451 -8.130 -6.459 234 HD2 PRO 31 HD2 PRO 31 8.108 -7.407 -3.762 235 HD3 PRO 31 HD3 PRO 31 9.234 -7.813 -5.042 236 H VAL 32 H VAL 32 7.393 -5.253 -3.156 237 HA VAL 32 HA VAL 32 5.146 -3.517 -3.027 238 HB VAL 32 HB VAL 32 6.856 -4.839 -0.913 239 HG11 VAL 32 HG11 VAL 32 4.820 -4.426 0.554 240 HG12 VAL 32 HG12 VAL 32 5.811 -2.999 0.167 241 HG13 VAL 32 HG13 VAL 32 4.273 -3.272 -0.686 242 HG21 VAL 32 HG21 VAL 32 5.503 -6.254 -2.592 243 HG22 VAL 32 HG22 VAL 32 5.276 -6.576 -0.856 244 HG23 VAL 32 HG23 VAL 32 4.063 -5.629 -1.752 245 H GLY 33 H GLY 33 8.655 -3.281 -2.295 246 HA2 GLY 33 HA2 GLY 33 8.432 -0.673 -1.113 247 HA3 GLY 33 HA3 GLY 33 9.895 -1.538 -1.540 248 H ILE 34 H ILE 34 9.752 -1.992 -4.241 249 HA ILE 34 HA ILE 34 10.412 0.483 -5.312 250 HB ILE 34 HB ILE 34 9.733 -2.172 -6.565 251 HG12 ILE 34 HG12 ILE 34 11.736 -2.089 -5.125 252 HG13 ILE 34 HG13 ILE 34 12.119 -2.424 -6.802 253 HG21 ILE 34 HG21 ILE 34 11.023 -1.110 -8.560 254 HG22 ILE 34 HG22 ILE 34 9.287 -0.774 -8.353 255 HG23 ILE 34 HG23 ILE 34 10.494 0.434 -7.851 256 HD11 ILE 34 HD11 ILE 34 12.557 0.090 -7.093 257 HD12 ILE 34 HD12 ILE 34 12.445 0.218 -5.321 258 HD13 ILE 34 HD13 ILE 34 13.716 -0.784 -6.062 259 H ALA 35 H ALA 35 7.460 -1.557 -5.903 260 HA ALA 35 HA ALA 35 6.168 0.420 -7.417 261 HB1 ALA 35 HB1 ALA 35 4.353 -1.075 -7.412 262 HB2 ALA 35 HB2 ALA 35 5.759 -2.145 -7.195 263 HB3 ALA 35 HB3 ALA 35 4.752 -1.704 -5.795 264 H GLY 36 H GLY 36 5.723 -0.636 -3.965 265 HA2 GLY 36 HA2 GLY 36 3.801 0.980 -3.070 266 HA3 GLY 36 HA3 GLY 36 5.253 0.646 -2.147 267 H PHE 37 H PHE 37 7.233 2.003 -3.659 268 HA PHE 37 HA PHE 37 6.789 4.642 -2.761 269 HB2 PHE 37 HB2 PHE 37 8.922 2.973 -3.417 270 HB3 PHE 37 HB3 PHE 37 8.882 4.004 -4.834 271 HD1 PHE 37 HD2 PHE 37 8.910 4.229 -1.111 272 HD2 PHE 37 HD1 PHE 37 10.027 6.017 -4.794 273 HE1 PHE 37 HE2 PHE 37 10.195 5.990 0.134 274 HE2 PHE 37 HE1 PHE 37 11.312 7.778 -3.549 275 HZ PHE 37 HZ PHE 37 11.381 7.743 -1.100 276 H ALA 38 H ALA 38 7.294 3.270 -6.097 277 HA ALA 38 HA ALA 38 6.953 5.508 -7.562 278 HB1 ALA 38 HB1 ALA 38 7.297 2.937 -8.148 279 HB2 ALA 38 HB2 ALA 38 5.542 3.001 -8.436 280 HB3 ALA 38 HB3 ALA 38 6.633 4.069 -9.350 281 H ALA 39 H ALA 39 4.289 3.314 -6.416 282 HA ALA 39 HA ALA 39 2.232 4.934 -7.412 283 HB1 ALA 39 HB1 ALA 39 2.526 2.444 -6.140 284 HB2 ALA 39 HB2 ALA 39 1.516 3.406 -5.034 285 HB3 ALA 39 HB3 ALA 39 1.011 3.172 -6.725 286 H ILE 40 H ILE 40 3.456 4.514 -4.009 287 HA ILE 40 HA ILE 40 1.978 6.315 -2.714 288 HB ILE 40 HB ILE 40 4.848 5.525 -2.500 289 HG12 ILE 40 HG12 ILE 40 2.643 5.291 -0.450 290 HG13 ILE 40 HG13 ILE 40 2.802 4.140 -1.762 291 HG21 ILE 40 HG21 ILE 40 5.276 7.608 -1.686 292 HG22 ILE 40 HG22 ILE 40 3.590 7.891 -1.190 293 HG23 ILE 40 HG23 ILE 40 4.645 6.849 -0.205 294 HD11 ILE 40 HD11 ILE 40 4.055 3.166 0.003 295 HD12 ILE 40 HD12 ILE 40 5.296 3.920 -1.027 296 HD13 ILE 40 HD13 ILE 40 4.773 4.726 0.472 297 H VAL 41 H VAL 41 4.606 7.028 -5.039 298 HA VAL 41 HA VAL 41 4.638 9.808 -4.493 299 HB VAL 41 HB VAL 41 5.612 8.106 -6.790 300 HG11 VAL 41 HG11 VAL 41 7.054 10.417 -6.980 301 HG12 VAL 41 HG12 VAL 41 5.629 10.029 -7.973 302 HG13 VAL 41 HG13 VAL 41 5.453 11.046 -6.523 303 HG21 VAL 41 HG21 VAL 41 6.595 8.555 -4.176 304 HG22 VAL 41 HG22 VAL 41 7.408 7.724 -5.524 305 HG23 VAL 41 HG23 VAL 41 7.654 9.469 -5.276 306 H ALA 42 H ALA 42 3.315 7.870 -7.276 307 HA ALA 42 HA ALA 42 2.066 9.919 -8.581 308 HB1 ALA 42 HB1 ALA 42 1.667 6.960 -8.321 309 HB2 ALA 42 HB2 ALA 42 0.384 7.902 -9.119 310 HB3 ALA 42 HB3 ALA 42 2.045 7.939 -9.759 311 H TYR 43 H TYR 43 0.525 7.672 -6.165 312 HA TYR 43 HA TYR 43 -1.881 9.020 -6.008 313 HB2 TYR 43 HB2 TYR 43 -0.168 7.112 -4.437 314 HB3 TYR 43 HB3 TYR 43 -1.345 7.963 -3.457 315 HD1 TYR 43 HD1 TYR 43 -0.909 5.588 -6.253 316 HD2 TYR 43 HD2 TYR 43 -3.711 7.488 -3.637 317 HE1 TYR 43 HE1 TYR 43 -2.707 3.939 -6.969 318 HE2 TYR 43 HE2 TYR 43 -5.499 5.833 -4.362 319 HH TYR 43 HH TYR 43 -5.581 3.558 -5.273 320 H GLY 44 H GLY 44 0.909 9.221 -3.676 321 HA2 GLY 44 HA2 GLY 44 0.091 11.057 -1.930 322 HA3 GLY 44 HA3 GLY 44 1.716 11.048 -2.587 323 H LEU 45 H LEU 45 1.598 11.952 -5.125 324 HA LEU 45 HA LEU 45 1.200 14.682 -4.833 325 HB2 LEU 45 HB2 LEU 45 1.771 12.810 -7.071 326 HB3 LEU 45 HB3 LEU 45 1.213 14.417 -7.491 327 HG LEU 45 HG LEU 45 3.658 14.250 -7.503 328 HD11 LEU 45 HD11 LEU 45 3.596 16.039 -5.266 329 HD12 LEU 45 HD12 LEU 45 3.680 16.409 -7.005 330 HD13 LEU 45 HD13 LEU 45 2.098 16.229 -6.210 331 HD21 LEU 45 HD21 LEU 45 4.904 14.001 -5.379 332 HD22 LEU 45 HD22 LEU 45 3.376 13.603 -4.557 333 HD23 LEU 45 HD23 LEU 45 4.002 12.536 -5.837 334 H TYR 46 H TYR 46 -0.887 12.113 -6.274 335 HA TYR 46 HA TYR 46 -2.867 13.851 -7.219 336 HB2 TYR 46 HB2 TYR 46 -2.235 11.176 -7.330 337 HB3 TYR 46 HB3 TYR 46 -3.449 11.098 -6.069 338 HD1 TYR 46 HD2 TYR 46 -2.844 11.795 -9.631 339 HD2 TYR 46 HD1 TYR 46 -5.804 11.525 -6.553 340 HE1 TYR 46 HE2 TYR 46 -4.680 11.770 -11.389 341 HE2 TYR 46 HE1 TYR 46 -7.630 11.500 -8.322 342 HH TYR 46 HH TYR 46 -7.523 10.685 -11.007 343 H LYS 47 H LYS 47 -2.879 11.750 -4.244 344 HA LYS 47 HA LYS 47 -5.222 12.682 -3.189 345 HB2 LYS 47 HB2 LYS 47 -3.542 10.789 -2.463 346 HB3 LYS 47 HB3 LYS 47 -2.902 12.024 -1.398 347 HG2 LYS 47 HG2 LYS 47 -5.053 12.331 -0.311 348 HG3 LYS 47 HG3 LYS 47 -5.879 11.375 -1.526 349 HD2 LYS 47 HD2 LYS 47 -5.193 9.359 -0.618 350 HD3 LYS 47 HD3 LYS 47 -3.635 9.986 -0.118 351 HE2 LYS 47 HE2 LYS 47 -5.010 11.386 1.638 352 HE3 LYS 47 HE3 LYS 47 -6.312 10.266 1.292 353 HZ1 LYS 47 HZ1 LYS 47 -3.691 9.099 1.866 354 HZ2 LYS 47 HZ2 LYS 47 -4.497 9.742 3.127 355 HZ3 LYS 47 HZ3 LYS 47 -5.200 8.576 2.219 356 H LEU 48 H LEU 48 -1.912 14.081 -2.957 357 HA LEU 48 HA LEU 48 -2.209 15.961 -1.074 358 HB2 LEU 48 HB2 LEU 48 -0.242 15.453 -2.588 359 HB3 LEU 48 HB3 LEU 48 -0.968 16.533 -3.762 360 HG LEU 48 HG LEU 48 -0.508 17.554 -0.983 361 HD11 LEU 48 HD11 LEU 48 1.761 17.995 -2.795 362 HD12 LEU 48 HD12 LEU 48 1.728 17.612 -1.057 363 HD13 LEU 48 HD13 LEU 48 1.573 16.308 -2.259 364 HD21 LEU 48 HD21 LEU 48 0.229 19.292 -3.173 365 HD22 LEU 48 HD22 LEU 48 -1.412 18.642 -3.403 366 HD23 LEU 48 HD23 LEU 48 -1.001 19.512 -1.905 367 H LYS 49 H LYS 49 -2.700 16.955 -4.521 368 HA LYS 49 HA LYS 49 -4.010 18.516 -5.388 369 HB2 LYS 49 HB2 LYS 49 -5.598 16.495 -4.376 370 HB3 LYS 49 HB3 LYS 49 -6.363 17.931 -3.727 371 HG2 LYS 49 HG2 LYS 49 -7.405 17.957 -5.780 372 HG3 LYS 49 HG3 LYS 49 -5.952 18.809 -6.263 373 HD2 LYS 49 HD2 LYS 49 -4.966 16.423 -6.747 374 HD3 LYS 49 HD3 LYS 49 -6.628 15.875 -6.674 375 HE2 LYS 49 HE2 LYS 49 -6.572 18.242 -8.320 376 HE3 LYS 49 HE3 LYS 49 -5.272 17.197 -8.858 377 HZ1 LYS 49 HZ1 LYS 49 -6.882 16.062 -9.924 378 HZ2 LYS 49 HZ2 LYS 49 -7.379 15.488 -8.484 379 HZ3 LYS 49 HZ3 LYS 49 -8.059 16.844 -9.098 380 H SER 50 H SER 50 -5.756 20.379 -4.737 381 HA SER 50 HA SER 50 -4.487 21.691 -2.466 382 HB2 SER 50 HB2 SER 50 -5.695 22.759 -5.038 383 HB3 SER 50 HB3 SER 50 -5.474 23.806 -3.651 384 HG SER 50 HG SER 50 -3.140 22.706 -3.788 385 H ARG 51 H ARG 51 -7.630 21.503 -4.298 386 HA ARG 51 HA ARG 51 -9.008 21.167 -1.841 387 HB2 ARG 51 HB2 ARG 51 -10.518 23.160 -2.175 388 HB3 ARG 51 HB3 ARG 51 -8.865 23.615 -1.812 389 HG2 ARG 51 HG2 ARG 51 -8.541 23.674 -4.423 390 HG3 ARG 51 HG3 ARG 51 -10.292 23.703 -4.492 391 HD2 ARG 51 HD2 ARG 51 -9.266 25.629 -2.516 392 HD3 ARG 51 HD3 ARG 51 -8.591 25.924 -4.106 393 HE ARG 51 HE ARG 51 -11.449 25.450 -4.264 394 HH11 ARG 51 HH22 ARG 51 -9.052 27.929 -3.451 395 HH12 ARG 51 HH21 ARG 51 -10.115 29.250 -3.807 396 HH21 ARG 51 HH12 ARG 51 -12.819 27.174 -4.724 397 HH22 ARG 51 HH11 ARG 51 -12.274 28.809 -4.536 398 H GLY 52 H GLY 52 -10.450 19.558 -2.377 399 HA2 GLY 52 HA2 GLY 52 -12.358 19.838 -4.431 400 HA3 GLY 52 HA3 GLY 52 -11.055 18.814 -5.000 401 H ASN 53 H ASN 53 -11.486 16.672 -4.748 402 HA ASN 53 HA ASN 53 -13.450 15.871 -2.869 403 HB2 ASN 53 HB2 ASN 53 -11.716 14.507 -4.945 404 HB3 ASN 53 HB3 ASN 53 -12.478 13.505 -3.726 405 HD21 ASN 53 HD21 ASN 53 -13.451 12.681 -5.780 406 HD22 ASN 53 HD22 ASN 53 -14.945 13.376 -6.314 407 H THR 54 H THR 54 -9.901 15.253 -3.422 408 HA THR 54 HA THR 54 -9.569 13.811 -0.995 409 HB THR 54 HB THR 54 -7.151 14.004 -1.649 410 HG1 THR 54 HG1 THR 54 -6.811 15.914 -2.722 411 HG21 THR 54 HG21 THR 54 -9.282 13.059 -3.455 412 HG22 THR 54 HG22 THR 54 -7.849 13.610 -4.355 413 HG23 THR 54 HG23 THR 54 -7.691 12.334 -3.124 414 H LYS 55 H LYS 55 -7.680 14.612 0.548 415 HA LYS 55 HA LYS 55 -7.792 17.437 1.049 416 HB2 LYS 55 HB2 LYS 55 -9.906 16.211 2.081 417 HB3 LYS 55 HB3 LYS 55 -8.766 15.759 3.332 418 HG2 LYS 55 HG2 LYS 55 -8.694 17.873 4.184 419 HG3 LYS 55 HG3 LYS 55 -8.486 18.595 2.601 420 HD2 LYS 55 HD2 LYS 55 -11.191 17.544 2.830 421 HD3 LYS 55 HD3 LYS 55 -10.850 18.568 4.210 422 HE2 LYS 55 HE2 LYS 55 -9.775 20.057 2.118 423 HE3 LYS 55 HE3 LYS 55 -11.156 19.301 1.348 424 HZ1 LYS 55 HZ1 LYS 55 -12.610 20.414 2.718 425 HZ2 LYS 55 HZ2 LYS 55 -11.595 20.484 3.990 426 HZ3 LYS 55 HZ3 LYS 55 -11.369 21.481 2.713 427 H MET 56 H MET 56 -6.211 18.085 2.695 428 HA MET 56 HA MET 56 -4.660 16.277 4.066 429 HB2 MET 56 HB2 MET 56 -4.088 16.120 1.339 430 HB3 MET 56 HB3 MET 56 -2.905 17.301 1.868 431 HG2 MET 56 HG2 MET 56 -1.872 15.778 3.386 432 HG3 MET 56 HG3 MET 56 -3.269 14.721 3.429 433 HE1 MET 56 HE1 MET 56 -1.832 12.877 3.279 434 HE2 MET 56 HE2 MET 56 -2.938 12.286 2.016 435 HE3 MET 56 HE3 MET 56 -1.177 12.174 1.781 436 H SER 57 H SER 57 -2.797 17.340 5.160 437 HA SER 57 HA SER 57 -2.383 20.097 4.626 438 HB2 SER 57 HB2 SER 57 -4.414 19.358 6.533 439 HB3 SER 57 HB3 SER 57 -3.071 20.048 7.423 440 HG SER 57 HG SER 57 -3.836 21.428 5.067 441 H ILE 58 H ILE 58 -2.250 17.940 7.562 442 HA ILE 58 HA ILE 58 -0.556 17.168 8.749 443 HB ILE 58 HB ILE 58 1.142 17.728 6.315 444 HG12 ILE 58 HG12 ILE 58 -0.991 16.231 6.115 445 HG13 ILE 58 HG13 ILE 58 0.526 15.706 5.412 446 HG21 ILE 58 HG21 ILE 58 2.466 17.391 8.343 447 HG22 ILE 58 HG22 ILE 58 1.604 15.867 8.663 448 HG23 ILE 58 HG23 ILE 58 2.637 16.020 7.222 449 HD11 ILE 58 HD11 ILE 58 0.989 14.230 7.281 450 HD12 ILE 58 HD12 ILE 58 -0.363 14.909 8.218 451 HD13 ILE 58 HD13 ILE 58 -0.689 13.930 6.767 452 H HIS 59 H HIS 59 0.833 17.983 10.337 453 HA HIS 59 HA HIS 59 0.831 20.774 10.594 454 HB2 HIS 59 HB2 HIS 59 2.348 18.634 12.110 455 HB3 HIS 59 HB3 HIS 59 2.257 20.316 12.592 456 HD1 HIS 59 HD1 HIS 59 -0.092 17.357 11.970 457 HD2 HIS 59 HD2 HIS 59 0.086 20.932 14.158 458 HE1 HIS 59 HE1 HIS 59 -2.158 17.383 13.467 459 H LEU 60 H LEU 60 3.521 18.401 10.002 460 HA LEU 60 HA LEU 60 5.603 20.105 9.815 461 HB2 LEU 60 HB2 LEU 60 4.884 17.521 8.556 462 HB3 LEU 60 HB3 LEU 60 6.212 18.398 7.823 463 HG LEU 60 HG LEU 60 6.591 18.381 10.670 464 HD11 LEU 60 HD11 LEU 60 5.275 16.458 10.949 465 HD12 LEU 60 HD12 LEU 60 5.871 15.719 9.444 466 HD13 LEU 60 HD13 LEU 60 6.947 15.857 10.855 467 HD21 LEU 60 HD21 LEU 60 8.720 18.044 10.066 468 HD22 LEU 60 HD22 LEU 60 8.314 16.652 9.032 469 HD23 LEU 60 HD23 LEU 60 8.128 18.309 8.408 470 H ILE 61 H ILE 61 6.513 21.517 8.303 471 HA ILE 61 HA ILE 61 4.756 22.960 6.734 472 HB ILE 61 HB ILE 61 7.761 22.714 6.685 473 HG12 ILE 61 HG12 ILE 61 6.143 25.022 7.746 474 HG13 ILE 61 HG13 ILE 61 6.419 23.602 8.734 475 HG21 ILE 61 HG21 ILE 61 5.930 24.534 5.125 476 HG22 ILE 61 HG22 ILE 61 7.606 24.987 5.519 477 HG23 ILE 61 HG23 ILE 61 7.282 23.534 4.542 478 HD11 ILE 61 HD11 ILE 61 8.885 24.524 7.404 479 HD12 ILE 61 HD12 ILE 61 8.167 25.760 8.464 480 HD13 ILE 61 HD13 ILE 61 8.590 24.162 9.122 481 H HIS 62 H HIS 62 7.371 20.711 5.571 482 HA HIS 62 HA HIS 62 6.166 20.640 2.988 483 HB2 HIS 62 HB2 HIS 62 7.980 18.871 2.621 484 HB3 HIS 62 HB3 HIS 62 8.486 20.518 2.940 485 HD1 HIS 62 HD1 HIS 62 9.897 20.955 5.030 486 HD2 HIS 62 HD2 HIS 62 8.389 17.046 4.832 487 HE1 HIS 62 HE1 HIS 62 11.070 19.643 6.877 488 H MET 63 H MET 63 3.999 19.896 3.531 489 HA MET 63 HA MET 63 3.739 17.351 4.766 490 HB2 MET 63 HB2 MET 63 1.292 17.721 4.212 491 HB3 MET 63 HB3 MET 63 2.003 19.084 5.053 492 HG2 MET 63 HG2 MET 63 1.753 20.485 3.253 493 HG3 MET 63 HG3 MET 63 2.295 19.273 2.110 494 HE1 MET 63 HE1 MET 63 0.184 21.458 2.004 495 HE2 MET 63 HE2 MET 63 -1.430 20.853 1.558 496 HE3 MET 63 HE3 MET 63 -1.036 21.162 3.266 497 H ARG 64 H ARG 64 5.230 16.235 3.160 498 HA ARG 64 HA ARG 64 3.586 14.975 1.219 499 HB2 ARG 64 HB2 ARG 64 4.827 17.176 0.229 500 HB3 ARG 64 HB3 ARG 64 6.156 16.046 0.058 501 HG2 ARG 64 HG2 ARG 64 4.311 14.471 -1.033 502 HG3 ARG 64 HG3 ARG 64 3.426 15.968 -1.253 503 HD2 ARG 64 HD2 ARG 64 6.329 15.754 -2.134 504 HD3 ARG 64 HD3 ARG 64 5.041 15.164 -3.166 505 HE ARG 64 HE ARG 64 4.237 17.742 -2.403 506 HH11 ARG 64 HH22 ARG 64 7.009 16.342 -4.109 507 HH12 ARG 64 HH21 ARG 64 7.296 17.759 -5.062 508 HH21 ARG 64 HH12 ARG 64 4.620 19.576 -3.648 509 HH22 ARG 64 HH11 ARG 64 5.922 19.611 -4.793 510 H VAL 65 H VAL 65 7.160 15.553 1.662 511 HA VAL 65 HA VAL 65 7.743 12.792 1.425 512 HB VAL 65 HB VAL 65 9.373 15.152 2.382 513 HG11 VAL 65 HG11 VAL 65 11.300 13.847 2.344 514 HG12 VAL 65 HG12 VAL 65 10.104 12.746 3.068 515 HG13 VAL 65 HG13 VAL 65 10.546 12.576 1.352 516 HG21 VAL 65 HG21 VAL 65 10.269 14.223 -0.125 517 HG22 VAL 65 HG22 VAL 65 8.493 14.292 -0.234 518 HG23 VAL 65 HG23 VAL 65 9.414 15.743 0.231 519 H ALA 66 H ALA 66 7.703 15.129 4.202 520 HA ALA 66 HA ALA 66 8.474 13.411 6.182 521 HB1 ALA 66 HB1 ALA 66 6.490 15.027 7.322 522 HB2 ALA 66 HB2 ALA 66 8.219 15.421 7.167 523 HB3 ALA 66 HB3 ALA 66 7.067 15.961 5.921 524 H ALA 67 H ALA 67 5.045 14.156 5.211 525 HA ALA 67 HA ALA 67 3.839 12.288 6.822 526 HB1 ALA 67 HB1 ALA 67 2.842 14.158 5.361 527 HB2 ALA 67 HB2 ALA 67 2.904 12.986 4.022 528 HB3 ALA 67 HB3 ALA 67 1.921 12.638 5.464 529 H GLN 68 H GLN 68 5.692 11.880 3.832 530 HA GLN 68 HA GLN 68 4.677 9.333 3.234 531 HB2 GLN 68 HB2 GLN 68 6.010 11.050 1.753 532 HB3 GLN 68 HB3 GLN 68 7.437 10.290 2.429 533 HG2 GLN 68 HG2 GLN 68 5.363 8.388 1.434 534 HG3 GLN 68 HG3 GLN 68 6.102 9.382 0.194 535 HE21 GLN 68 HE21 GLN 68 6.640 6.958 -0.237 536 HE22 GLN 68 HE22 GLN 68 8.203 6.431 0.291 537 H GLY 69 H GLY 69 7.453 10.572 5.154 538 HA2 GLY 69 HA2 GLY 69 8.718 8.086 5.583 539 HA3 GLY 69 HA3 GLY 69 8.902 9.546 6.535 540 H PHE 70 H PHE 70 6.442 10.044 7.645 541 HA PHE 70 HA PHE 70 6.336 8.259 9.747 542 HB2 PHE 70 HB2 PHE 70 5.358 10.724 9.185 543 HB3 PHE 70 HB3 PHE 70 3.918 9.826 8.748 544 HD1 PHE 70 HD1 PHE 70 6.259 10.485 11.544 545 HD2 PHE 70 HD2 PHE 70 2.433 9.049 10.402 546 HE1 PHE 70 HE1 PHE 70 5.560 10.434 13.954 547 HE2 PHE 70 HE2 PHE 70 1.733 8.997 12.812 548 HZ PHE 70 HZ PHE 70 3.305 9.690 14.559 549 H VAL 71 H VAL 71 4.050 8.604 6.938 550 HA VAL 71 HA VAL 71 2.406 6.487 7.663 551 HB VAL 71 HB VAL 71 3.077 7.773 5.018 552 HG11 VAL 71 HG11 VAL 71 0.569 6.544 4.782 553 HG12 VAL 71 HG12 VAL 71 2.081 6.068 3.973 554 HG13 VAL 71 HG13 VAL 71 1.620 5.309 5.515 555 HG21 VAL 71 HG21 VAL 71 1.432 9.258 5.454 556 HG22 VAL 71 HG22 VAL 71 0.384 8.034 6.210 557 HG23 VAL 71 HG23 VAL 71 1.700 8.781 7.148 558 H VAL 72 H VAL 72 5.195 6.572 5.333 559 HA VAL 72 HA VAL 72 5.234 4.036 4.486 560 HB VAL 72 HB VAL 72 7.367 5.992 5.223 561 HG11 VAL 72 HG11 VAL 72 8.817 4.317 5.648 562 HG12 VAL 72 HG12 VAL 72 7.771 3.083 4.906 563 HG13 VAL 72 HG13 VAL 72 8.812 4.100 3.882 564 HG21 VAL 72 HG21 VAL 72 7.241 4.738 2.544 565 HG22 VAL 72 HG22 VAL 72 5.805 5.679 3.015 566 HG23 VAL 72 HG23 VAL 72 7.411 6.448 3.008 567 H GLY 73 H GLY 73 6.702 5.173 7.610 568 HA2 GLY 73 HA2 GLY 73 7.570 2.708 8.532 569 HA3 GLY 73 HA3 GLY 73 7.115 4.077 9.527 570 H ALA 74 H ALA 74 4.406 4.399 9.149 571 HA ALA 74 HA ALA 74 3.298 2.497 10.789 572 HB1 ALA 74 HB1 ALA 74 1.100 3.426 9.745 573 HB2 ALA 74 HB2 ALA 74 2.181 4.560 10.590 574 HB3 ALA 74 HB3 ALA 74 2.176 4.494 8.811 575 H MET 75 H MET 75 2.815 2.818 7.193 576 HA MET 75 HA MET 75 1.331 0.657 6.754 577 HB2 MET 75 HB2 MET 75 3.116 2.359 5.257 578 HB3 MET 75 HB3 MET 75 3.470 0.715 4.764 579 HG2 MET 75 HG2 MET 75 1.553 0.599 3.548 580 HG3 MET 75 HG3 MET 75 0.585 1.051 4.937 581 HE1 MET 75 HE1 MET 75 0.276 1.422 2.055 582 HE2 MET 75 HE2 MET 75 -0.738 2.874 2.232 583 HE3 MET 75 HE3 MET 75 0.769 2.951 1.288 584 H THR 76 H THR 76 4.968 0.641 6.839 585 HA THR 76 HA THR 76 5.364 -2.037 6.389 586 HB THR 76 HB THR 76 6.829 0.088 8.012 587 HG1 THR 76 HG1 THR 76 7.992 0.090 6.034 588 HG21 THR 76 HG21 THR 76 7.460 -2.847 7.642 589 HG22 THR 76 HG22 THR 76 8.791 -1.674 7.494 590 HG23 THR 76 HG23 THR 76 7.859 -1.778 9.007 591 H VAL 77 H VAL 77 4.773 -0.409 9.568 592 HA VAL 77 HA VAL 77 5.013 -2.639 11.150 593 HB VAL 77 HB VAL 77 3.219 -0.218 11.368 594 HG11 VAL 77 HG11 VAL 77 3.765 -2.446 13.335 595 HG12 VAL 77 HG12 VAL 77 3.302 -0.814 13.873 596 HG13 VAL 77 HG13 VAL 77 2.205 -1.752 12.832 597 HG21 VAL 77 HG21 VAL 77 5.937 -0.877 12.551 598 HG22 VAL 77 HG22 VAL 77 5.577 0.343 11.306 599 HG23 VAL 77 HG23 VAL 77 4.965 0.556 12.963 600 H GLY 78 H GLY 78 2.108 -1.397 9.377 601 HA2 GLY 78 HA2 GLY 78 0.243 -3.229 10.261 602 HA3 GLY 78 HA3 GLY 78 0.245 -2.450 8.691 603 H MET 79 H MET 79 2.474 -3.465 7.396 604 HA MET 79 HA MET 79 1.580 -5.858 6.466 605 HB2 MET 79 HB2 MET 79 3.305 -4.263 5.438 606 HB3 MET 79 HB3 MET 79 4.494 -4.897 6.559 607 HG2 MET 79 HG2 MET 79 4.771 -6.837 5.364 608 HG3 MET 79 HG3 MET 79 3.052 -7.025 5.082 609 HE1 MET 79 HE1 MET 79 2.531 -6.344 1.698 610 HE2 MET 79 HE2 MET 79 3.698 -7.636 2.067 611 HE3 MET 79 HE3 MET 79 2.346 -7.314 3.179 612 H GLY 80 H GLY 80 4.221 -5.248 8.881 613 HA2 GLY 80 HA2 GLY 80 4.994 -7.883 9.296 614 HA3 GLY 80 HA3 GLY 80 5.132 -6.572 10.451 615 H TYR 81 H TYR 81 2.309 -5.949 10.750 616 HA TYR 81 HA TYR 81 1.642 -7.912 12.676 617 HB2 TYR 81 HB2 TYR 81 0.563 -5.382 11.406 618 HB3 TYR 81 HB3 TYR 81 -0.627 -6.385 12.211 619 HD1 TYR 81 HD2 TYR 81 2.842 -5.117 12.928 620 HD2 TYR 81 HD1 TYR 81 -1.119 -5.799 14.393 621 HE1 TYR 81 HE2 TYR 81 3.487 -4.098 15.166 622 HE2 TYR 81 HE1 TYR 81 -0.461 -4.777 16.626 623 HH TYR 81 HH TYR 81 1.069 -3.704 17.731 624 H SER 82 H SER 82 0.977 -7.513 9.242 625 HA SER 82 HA SER 82 -1.389 -8.561 8.809 626 HB2 SER 82 HB2 SER 82 0.354 -8.005 7.078 627 HB3 SER 82 HB3 SER 82 1.140 -9.536 7.409 628 HG SER 82 HG SER 82 -0.467 -9.402 5.546 629 H MET 83 H MET 83 1.506 -10.772 8.921 630 HA MET 83 HA MET 83 -0.302 -12.815 9.937 631 HB2 MET 83 HB2 MET 83 1.964 -12.740 8.038 632 HB3 MET 83 HB3 MET 83 2.192 -13.989 9.246 633 HG2 MET 83 HG2 MET 83 -0.476 -13.714 7.814 634 HG3 MET 83 HG3 MET 83 0.852 -14.568 7.054 635 HE1 MET 83 HE1 MET 83 -2.120 -14.794 9.112 636 HE2 MET 83 HE2 MET 83 -1.962 -15.980 7.795 637 HE3 MET 83 HE3 MET 83 -2.108 -16.535 9.479 638 H TYR 84 H TYR 84 0.243 -14.055 11.805 639 HA TYR 84 HA TYR 84 1.428 -12.746 13.882 640 HB2 TYR 84 HB2 TYR 84 -0.019 -14.832 13.911 641 HB3 TYR 84 HB3 TYR 84 1.285 -15.745 13.178 642 HD1 TYR 84 HD1 TYR 84 0.804 -13.511 16.167 643 HD2 TYR 84 HD2 TYR 84 2.492 -17.116 14.598 644 HE1 TYR 84 HE1 TYR 84 1.691 -14.109 18.473 645 HE2 TYR 84 HE2 TYR 84 3.372 -17.701 16.910 646 HH TYR 84 HH TYR 84 3.729 -15.579 19.292 647 H ARG 85 H ARG 85 3.446 -11.791 13.591 648 HA ARG 85 HA ARG 85 5.608 -13.679 13.544 649 HB2 ARG 85 HB2 ARG 85 5.004 -12.658 11.134 650 HB3 ARG 85 HB3 ARG 85 5.888 -11.269 11.734 651 HG2 ARG 85 HG2 ARG 85 7.922 -12.377 11.732 652 HG3 ARG 85 HG3 ARG 85 7.210 -13.917 12.174 653 HD2 ARG 85 HD2 ARG 85 7.847 -14.305 9.939 654 HD3 ARG 85 HD3 ARG 85 6.159 -13.871 9.757 655 HE ARG 85 HE ARG 85 7.888 -11.531 9.643 656 HH11 ARG 85 HH22 ARG 85 6.631 -14.228 7.719 657 HH12 ARG 85 HH21 ARG 85 6.832 -13.406 6.208 658 HH21 ARG 85 HH12 ARG 85 8.144 -10.474 7.674 659 HH22 ARG 85 HH11 ARG 85 7.701 -11.252 6.189 660 H GLU 86 H GLU 86 5.931 -13.018 15.760 661 HA GLU 86 HA GLU 86 7.077 -10.353 15.945 662 HB2 GLU 86 HB2 GLU 86 5.062 -11.606 17.853 663 HB3 GLU 86 HB3 GLU 86 6.059 -10.237 18.302 664 HG2 GLU 86 HG2 GLU 86 4.990 -8.778 16.809 665 HG3 GLU 86 HG3 GLU 86 4.532 -10.062 15.708 666 H PHE 87 H PHE 87 9.049 -11.771 15.588 667 HA PHE 87 HA PHE 87 10.346 -12.203 18.018 668 HB2 PHE 87 HB2 PHE 87 8.715 -14.217 17.861 669 HB3 PHE 87 HB3 PHE 87 9.570 -14.709 16.413 670 HD1 PHE 87 HD2 PHE 87 10.402 -13.738 19.928 671 HD2 PHE 87 HD1 PHE 87 11.156 -16.352 16.671 672 HE1 PHE 87 HE2 PHE 87 12.047 -15.012 21.332 673 HE2 PHE 87 HE1 PHE 87 12.801 -17.626 18.075 674 HZ PHE 87 HZ PHE 87 13.227 -16.941 20.389 675 H TRP 88 H TRP 88 10.130 -13.544 14.644 676 HA TRP 88 HA TRP 88 12.740 -14.037 14.161 677 HB2 TRP 88 HB2 TRP 88 10.478 -13.085 12.462 678 HB3 TRP 88 HB3 TRP 88 12.087 -13.103 11.769 679 HD1 TRP 88 HD1 TRP 88 10.384 -15.800 14.043 680 HE1 TRP 88 HE1 TRP 88 10.487 -18.171 12.890 681 HE3 TRP 88 HE3 TRP 88 12.603 -14.201 9.757 682 HZ2 TRP 88 HZ2 TRP 88 11.462 -19.091 10.371 683 HZ3 TRP 88 HZ3 TRP 88 13.096 -15.900 8.001 684 HH2 TRP 88 HH2 TRP 88 12.563 -18.272 8.255 685 H ALA 89 H ALA 89 14.481 -12.751 13.138 686 HA ALA 89 HA ALA 89 14.198 -9.868 13.571 687 HB1 ALA 89 HB1 ALA 89 15.810 -11.730 15.104 688 HB2 ALA 89 HB2 ALA 89 16.854 -10.570 14.249 689 HB3 ALA 89 HB3 ALA 89 15.578 -9.981 15.341 690 H LYS 90 H LYS 90 13.789 -10.167 11.159 691 HA LYS 90 HA LYS 90 14.476 -9.929 9.076 692 HB2 LYS 90 HB2 LYS 90 17.034 -9.159 10.487 693 HB3 LYS 90 HB3 LYS 90 16.905 -9.149 8.740 694 HG2 LYS 90 HG2 LYS 90 16.207 -6.980 9.134 695 HG3 LYS 90 HG3 LYS 90 14.649 -7.772 9.269 696 HD2 LYS 90 HD2 LYS 90 14.530 -7.464 11.554 697 HD3 LYS 90 HD3 LYS 90 16.247 -7.724 11.789 698 HE2 LYS 90 HE2 LYS 90 15.806 -5.280 10.246 699 HE3 LYS 90 HE3 LYS 90 14.875 -5.230 11.730 700 HZ1 LYS 90 HZ1 LYS 90 16.854 -4.576 12.600 701 HZ2 LYS 90 HZ2 LYS 90 17.232 -6.160 12.622 702 HZ3 LYS 90 HZ3 LYS 90 17.707 -5.226 11.364 703 HA PRO 91 HA PRO 91 16.047 -13.765 7.881 704 HB2 PRO 91 HB2 PRO 91 16.613 -13.361 5.238 705 HB3 PRO 91 HB3 PRO 91 14.993 -13.654 5.837 706 HG2 PRO 91 HG2 PRO 91 16.202 -11.114 4.928 707 HG3 PRO 91 HG3 PRO 91 14.507 -11.516 5.120 708 HD2 PRO 91 HD2 PRO 91 16.102 -9.915 6.887 709 HD3 PRO 91 HD3 PRO 91 14.440 -10.414 7.136 710 H LYS 92 H LYS 92 17.821 -14.011 9.249 711 HA LYS 92 HA LYS 92 20.293 -13.774 7.741 712 HB2 LYS 92 HB2 LYS 92 19.925 -11.639 9.078 713 HB3 LYS 92 HB3 LYS 92 20.083 -12.610 10.527 714 HG2 LYS 92 HG2 LYS 92 22.314 -12.095 10.292 715 HG3 LYS 92 HG3 LYS 92 22.300 -13.475 9.212 716 HD2 LYS 92 HD2 LYS 92 21.448 -11.365 7.566 717 HD3 LYS 92 HD3 LYS 92 22.656 -10.611 8.588 718 HE2 LYS 92 HE2 LYS 92 23.341 -13.304 7.434 719 HE3 LYS 92 HE3 LYS 92 23.299 -11.952 6.320 720 HZ1 LYS 92 HZ1 LYS 92 25.379 -12.565 7.988 721 HZ2 LYS 92 HZ2 LYS 92 25.202 -11.154 7.195 722 HZ3 LYS 92 HZ3 LYS 92 24.634 -11.306 8.722 723 HA PRO 93 HA PRO 93 19.982 -17.670 9.903 724 HB2 PRO 93 HB2 PRO 93 20.935 -19.233 7.874 725 HB3 PRO 93 HB3 PRO 93 19.230 -18.906 8.112 726 HG2 PRO 93 HG2 PRO 93 21.066 -17.787 6.083 727 HG3 PRO 93 HG3 PRO 93 19.314 -17.813 6.083 728 HD2 PRO 93 HD2 PRO 93 20.997 -15.569 6.683 729 HD3 PRO 93 HD3 PRO 93 19.249 -15.628 6.795 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -24.132 -14.199 6.259 2 HA MET 1 HA MET 1 -21.657 -15.311 5.401 3 HB2 MET 1 HB2 MET 1 -24.083 -15.569 3.768 4 HB3 MET 1 HB3 MET 1 -22.916 -14.562 2.934 5 HG2 MET 1 HG2 MET 1 -21.444 -16.305 2.601 6 HG3 MET 1 HG3 MET 1 -21.742 -17.000 4.182 7 HE1 MET 1 HE1 MET 1 -22.065 -17.917 0.552 8 HE2 MET 1 HE2 MET 1 -23.818 -17.892 0.244 9 HE3 MET 1 HE3 MET 1 -22.968 -16.388 0.671 10 H SER 2 H SER 2 -20.220 -13.695 4.633 11 HA SER 2 HA SER 2 -21.377 -11.073 4.233 12 HB2 SER 2 HB2 SER 2 -19.414 -11.846 6.391 13 HB3 SER 2 HB3 SER 2 -19.269 -10.259 5.660 14 HG SER 2 HG SER 2 -21.061 -11.124 7.539 15 H THR 3 H THR 3 -19.909 -9.603 3.036 16 HA THR 3 HA THR 3 -18.191 -11.110 1.258 17 HB THR 3 HB THR 3 -18.187 -8.917 0.025 18 HG1 THR 3 HG1 THR 3 -18.533 -7.244 1.435 19 HG21 THR 3 HG21 THR 3 -21.006 -9.457 1.075 20 HG22 THR 3 HG22 THR 3 -20.544 -8.799 -0.513 21 HG23 THR 3 HG23 THR 3 -20.226 -10.508 -0.132 22 H ASP 4 H ASP 4 -15.983 -10.901 0.992 23 HA ASP 4 HA ASP 4 -14.637 -9.029 2.707 24 HB2 ASP 4 HB2 ASP 4 -14.972 -11.259 3.971 25 HB3 ASP 4 HB3 ASP 4 -13.908 -11.989 2.785 26 H THR 5 H THR 5 -14.260 -11.979 0.594 27 HA THR 5 HA THR 5 -11.846 -10.887 -0.580 28 HB THR 5 HB THR 5 -13.445 -13.475 -0.930 29 HG1 THR 5 HG1 THR 5 -12.186 -13.820 0.859 30 HG21 THR 5 HG21 THR 5 -12.220 -13.762 -2.853 31 HG22 THR 5 HG22 THR 5 -11.230 -12.321 -2.522 32 HG23 THR 5 HG23 THR 5 -10.804 -13.882 -1.781 33 H GLY 6 H GLY 6 -15.032 -12.051 -1.881 34 HA2 GLY 6 HA2 GLY 6 -14.692 -11.025 -4.441 35 HA3 GLY 6 HA3 GLY 6 -16.222 -11.360 -3.656 36 H VAL 7 H VAL 7 -16.550 -9.323 -5.235 37 HA VAL 7 HA VAL 7 -15.621 -6.828 -4.512 38 HB VAL 7 HB VAL 7 -16.811 -7.467 -6.592 39 HG11 VAL 7 HG11 VAL 7 -18.769 -8.445 -4.899 40 HG12 VAL 7 HG12 VAL 7 -19.495 -6.948 -5.532 41 HG13 VAL 7 HG13 VAL 7 -18.928 -8.207 -6.656 42 HG21 VAL 7 HG21 VAL 7 -16.725 -5.217 -6.668 43 HG22 VAL 7 HG22 VAL 7 -18.465 -5.301 -6.306 44 HG23 VAL 7 HG23 VAL 7 -17.295 -5.038 -4.991 45 H SER 8 H SER 8 -15.750 -5.797 -2.592 46 HA SER 8 HA SER 8 -18.205 -6.237 -1.076 47 HB2 SER 8 HB2 SER 8 -16.749 -5.678 0.959 48 HB3 SER 8 HB3 SER 8 -16.448 -7.227 0.196 49 HG SER 8 HG SER 8 -14.851 -4.855 0.175 50 H LEU 9 H LEU 9 -15.411 -3.923 -1.444 51 HA LEU 9 HA LEU 9 -16.981 -1.728 -0.543 52 HB2 LEU 9 HB2 LEU 9 -14.221 -2.299 -1.230 53 HB3 LEU 9 HB3 LEU 9 -14.732 -0.754 -1.881 54 HG LEU 9 HG LEU 9 -15.610 -0.261 0.507 55 HD11 LEU 9 HD11 LEU 9 -14.897 -1.500 2.302 56 HD12 LEU 9 HD12 LEU 9 -15.151 -2.782 1.094 57 HD13 LEU 9 HD13 LEU 9 -13.507 -2.185 1.425 58 HD21 LEU 9 HD21 LEU 9 -13.646 0.791 -0.641 59 HD22 LEU 9 HD22 LEU 9 -13.524 0.716 1.133 60 HD23 LEU 9 HD23 LEU 9 -12.612 -0.436 0.129 61 HA PRO 10 HA PRO 10 -18.724 -0.530 -4.304 62 HB2 PRO 10 HB2 PRO 10 -19.106 2.148 -3.915 63 HB3 PRO 10 HB3 PRO 10 -20.173 0.922 -3.258 64 HG2 PRO 10 HG2 PRO 10 -18.135 2.546 -1.862 65 HG3 PRO 10 HG3 PRO 10 -19.477 1.648 -1.182 66 HD2 PRO 10 HD2 PRO 10 -16.715 0.875 -1.173 67 HD3 PRO 10 HD3 PRO 10 -18.071 -0.074 -0.598 68 H SER 11 H SER 11 -17.251 -1.037 -5.886 69 HA SER 11 HA SER 11 -15.989 1.321 -6.914 70 HB2 SER 11 HB2 SER 11 -14.422 -0.051 -5.223 71 HB3 SER 11 HB3 SER 11 -14.179 -1.072 -6.627 72 HG SER 11 HG SER 11 -12.640 0.405 -7.015 73 H TYR 12 H TYR 12 -15.722 1.196 -9.190 74 HA TYR 12 HA TYR 12 -17.336 -0.328 -10.676 75 HB2 TYR 12 HB2 TYR 12 -15.864 0.371 -12.497 76 HB3 TYR 12 HB3 TYR 12 -15.659 1.593 -11.257 77 HD1 TYR 12 HD2 TYR 12 -13.715 0.942 -9.464 78 HD2 TYR 12 HD1 TYR 12 -13.939 -0.415 -13.515 79 HE1 TYR 12 HE2 TYR 12 -11.209 0.515 -9.467 80 HE2 TYR 12 HE1 TYR 12 -11.432 -0.838 -13.504 81 HH TYR 12 HH TYR 12 -9.645 -1.000 -10.718 82 H GLU 13 H GLU 13 -17.616 -2.463 -11.066 83 HA GLU 13 HA GLU 13 -15.214 -4.101 -11.075 84 HB2 GLU 13 HB2 GLU 13 -16.412 -4.344 -8.875 85 HB3 GLU 13 HB3 GLU 13 -17.838 -4.889 -9.734 86 HG2 GLU 13 HG2 GLU 13 -15.341 -6.335 -10.470 87 HG3 GLU 13 HG3 GLU 13 -15.830 -6.549 -8.801 88 H GLU 14 H GLU 14 -15.603 -3.602 -13.462 89 HA GLU 14 HA GLU 14 -17.739 -5.303 -14.482 90 HB2 GLU 14 HB2 GLU 14 -16.579 -2.703 -15.366 91 HB3 GLU 14 HB3 GLU 14 -16.924 -3.836 -16.658 92 HG2 GLU 14 HG2 GLU 14 -19.183 -3.591 -16.427 93 HG3 GLU 14 HG3 GLU 14 -19.109 -3.727 -14.682 94 H ASP 15 H ASP 15 -15.928 -6.982 -13.768 95 HA ASP 15 HA ASP 15 -14.266 -8.315 -14.262 96 HB2 ASP 15 HB2 ASP 15 -16.131 -8.224 -16.471 97 HB3 ASP 15 HB3 ASP 15 -14.530 -8.491 -17.131 98 H GLN 16 H GLN 16 -12.383 -6.964 -13.900 99 HA GLN 16 HA GLN 16 -10.682 -6.664 -16.014 100 HB2 GLN 16 HB2 GLN 16 -12.561 -4.692 -16.276 101 HB3 GLN 16 HB3 GLN 16 -11.394 -3.862 -15.266 102 HG2 GLN 16 HG2 GLN 16 -10.240 -5.396 -17.561 103 HG3 GLN 16 HG3 GLN 16 -11.218 -4.010 -18.001 104 HE21 GLN 16 HE21 GLN 16 -8.258 -5.138 -16.739 105 HE22 GLN 16 HE22 GLN 16 -7.484 -3.619 -16.429 106 H GLY 17 H GLY 17 -11.690 -4.714 -13.106 107 HA2 GLY 17 HA2 GLY 17 -9.358 -3.912 -12.079 108 HA3 GLY 17 HA3 GLY 17 -10.664 -4.531 -11.088 109 H SER 18 H SER 18 -10.773 -7.199 -11.388 110 HA SER 18 HA SER 18 -8.818 -8.182 -9.865 111 HB2 SER 18 HB2 SER 18 -10.840 -9.299 -11.689 112 HB3 SER 18 HB3 SER 18 -9.447 -10.351 -11.537 113 HG SER 18 HG SER 18 -9.740 -10.461 -9.286 114 H LYS 19 H LYS 19 -8.907 -8.203 -13.495 115 HA LYS 19 HA LYS 19 -6.514 -9.538 -13.885 116 HB2 LYS 19 HB2 LYS 19 -8.224 -7.688 -15.499 117 HB3 LYS 19 HB3 LYS 19 -6.610 -8.037 -16.084 118 HG2 LYS 19 HG2 LYS 19 -7.041 -10.361 -16.297 119 HG3 LYS 19 HG3 LYS 19 -8.384 -10.319 -15.172 120 HD2 LYS 19 HD2 LYS 19 -9.727 -8.999 -16.816 121 HD3 LYS 19 HD3 LYS 19 -8.383 -9.022 -17.940 122 HE2 LYS 19 HE2 LYS 19 -9.498 -11.628 -16.849 123 HE3 LYS 19 HE3 LYS 19 -10.298 -10.821 -18.183 124 HZ1 LYS 19 HZ1 LYS 19 -7.709 -12.144 -18.156 125 HZ2 LYS 19 HZ2 LYS 19 -8.781 -12.010 -19.375 126 HZ3 LYS 19 HZ3 LYS 19 -7.809 -10.747 -19.003 127 H LEU 20 H LEU 20 -7.210 -6.040 -13.356 128 HA LEU 20 HA LEU 20 -4.605 -5.152 -13.817 129 HB2 LEU 20 HB2 LEU 20 -5.572 -3.197 -13.535 130 HB3 LEU 20 HB3 LEU 20 -7.071 -4.048 -13.217 131 HG LEU 20 HG LEU 20 -6.225 -4.120 -10.745 132 HD11 LEU 20 HD11 LEU 20 -4.206 -2.445 -12.036 133 HD12 LEU 20 HD12 LEU 20 -4.980 -1.660 -10.638 134 HD13 LEU 20 HD13 LEU 20 -4.195 -3.246 -10.446 135 HD21 LEU 20 HD21 LEU 20 -6.944 -1.387 -10.991 136 HD22 LEU 20 HD22 LEU 20 -7.809 -2.282 -12.264 137 HD23 LEU 20 HD23 LEU 20 -7.975 -2.773 -10.561 138 H ILE 21 H ILE 21 -6.133 -6.802 -11.087 139 HA ILE 21 HA ILE 21 -3.936 -6.148 -9.326 140 HB ILE 21 HB ILE 21 -6.395 -7.867 -8.989 141 HG12 ILE 21 HG12 ILE 21 -6.818 -5.440 -9.253 142 HG13 ILE 21 HG13 ILE 21 -7.279 -6.056 -7.678 143 HG21 ILE 21 HG21 ILE 21 -5.359 -8.794 -7.254 144 HG22 ILE 21 HG22 ILE 21 -3.972 -7.687 -7.395 145 HG23 ILE 21 HG23 ILE 21 -5.412 -7.196 -6.471 146 HD11 ILE 21 HD11 ILE 21 -5.419 -3.944 -8.294 147 HD12 ILE 21 HD12 ILE 21 -5.937 -4.526 -6.693 148 HD13 ILE 21 HD13 ILE 21 -4.525 -5.259 -7.493 149 H ARG 22 H ARG 22 -4.779 -8.516 -11.729 150 HA ARG 22 HA ARG 22 -3.163 -10.550 -10.570 151 HB2 ARG 22 HB2 ARG 22 -5.088 -11.208 -11.935 152 HB3 ARG 22 HB3 ARG 22 -4.521 -10.257 -13.293 153 HG2 ARG 22 HG2 ARG 22 -3.910 -12.513 -13.811 154 HG3 ARG 22 HG3 ARG 22 -2.419 -11.737 -13.316 155 HD2 ARG 22 HD2 ARG 22 -2.343 -12.869 -11.253 156 HD3 ARG 22 HD3 ARG 22 -4.079 -13.103 -11.192 157 HE ARG 22 HE ARG 22 -2.189 -14.935 -12.311 158 HH11 ARG 22 HH22 ARG 22 -5.375 -13.569 -13.046 159 HH12 ARG 22 HH21 ARG 22 -5.891 -14.945 -13.962 160 HH21 ARG 22 HH12 ARG 22 -2.872 -16.716 -13.503 161 HH22 ARG 22 HH11 ARG 22 -4.450 -16.747 -14.220 162 H LYS 23 H LYS 23 -0.948 -10.244 -10.548 163 HA LYS 23 HA LYS 23 0.268 -9.394 -13.074 164 HB2 LYS 23 HB2 LYS 23 0.086 -7.692 -10.956 165 HB3 LYS 23 HB3 LYS 23 1.606 -8.482 -10.593 166 HG2 LYS 23 HG2 LYS 23 2.186 -6.617 -11.977 167 HG3 LYS 23 HG3 LYS 23 2.307 -8.018 -13.023 168 HD2 LYS 23 HD2 LYS 23 0.556 -7.346 -14.344 169 HD3 LYS 23 HD3 LYS 23 -0.409 -6.828 -12.976 170 HE2 LYS 23 HE2 LYS 23 2.023 -5.213 -13.808 171 HE3 LYS 23 HE3 LYS 23 0.511 -5.023 -14.673 172 HZ1 LYS 23 HZ1 LYS 23 1.077 -3.665 -12.455 173 HZ2 LYS 23 HZ2 LYS 23 -0.455 -4.017 -12.882 174 HZ3 LYS 23 HZ3 LYS 23 0.330 -4.970 -11.809 175 H ALA 24 H ALA 24 1.520 -10.285 -9.793 176 HA ALA 24 HA ALA 24 2.928 -12.497 -11.119 177 HB1 ALA 24 HB1 ALA 24 4.760 -11.643 -10.142 178 HB2 ALA 24 HB2 ALA 24 3.783 -10.367 -9.378 179 HB3 ALA 24 HB3 ALA 24 4.022 -11.923 -8.547 180 H LYS 25 H LYS 25 2.317 -14.538 -10.593 181 HA LYS 25 HA LYS 25 0.128 -15.082 -9.048 182 HB2 LYS 25 HB2 LYS 25 2.349 -16.627 -10.246 183 HB3 LYS 25 HB3 LYS 25 1.536 -17.417 -8.910 184 HG2 LYS 25 HG2 LYS 25 -0.039 -18.042 -10.431 185 HG3 LYS 25 HG3 LYS 25 -0.609 -16.387 -10.352 186 HD2 LYS 25 HD2 LYS 25 -0.103 -16.166 -12.550 187 HD3 LYS 25 HD3 LYS 25 1.593 -16.289 -12.128 188 HE2 LYS 25 HE2 LYS 25 0.030 -18.857 -12.345 189 HE3 LYS 25 HE3 LYS 25 0.412 -18.018 -13.835 190 HZ1 LYS 25 HZ1 LYS 25 2.620 -18.469 -13.589 191 HZ2 LYS 25 HZ2 LYS 25 2.627 -18.288 -11.970 192 HZ3 LYS 25 HZ3 LYS 25 2.053 -19.670 -12.633 193 H GLU 26 H GLU 26 3.585 -15.668 -8.073 194 HA GLU 26 HA GLU 26 2.744 -14.976 -5.377 195 HB2 GLU 26 HB2 GLU 26 3.577 -17.595 -6.304 196 HB3 GLU 26 HB3 GLU 26 4.760 -16.991 -5.160 197 HG2 GLU 26 HG2 GLU 26 2.377 -16.292 -3.916 198 HG3 GLU 26 HG3 GLU 26 1.932 -17.790 -4.710 199 H ALA 27 H ALA 27 3.762 -12.929 -5.518 200 HA ALA 27 HA ALA 27 6.673 -13.052 -5.921 201 HB1 ALA 27 HB1 ALA 27 5.844 -11.707 -7.659 202 HB2 ALA 27 HB2 ALA 27 4.575 -10.995 -6.634 203 HB3 ALA 27 HB3 ALA 27 6.274 -10.517 -6.407 204 HA PRO 28 HA PRO 28 7.049 -11.624 -1.857 205 HB2 PRO 28 HB2 PRO 28 9.480 -10.377 -1.923 206 HB3 PRO 28 HB3 PRO 28 9.298 -12.116 -1.808 207 HG2 PRO 28 HG2 PRO 28 10.091 -10.487 -4.143 208 HG3 PRO 28 HG3 PRO 28 10.310 -12.206 -3.878 209 HD2 PRO 28 HD2 PRO 28 8.344 -10.964 -5.558 210 HD3 PRO 28 HD3 PRO 28 8.489 -12.674 -5.202 211 H PHE 29 H PHE 29 8.285 -9.381 -0.761 212 HA PHE 29 HA PHE 29 6.228 -7.466 -1.462 213 HB2 PHE 29 HB2 PHE 29 6.540 -7.769 0.900 214 HB3 PHE 29 HB3 PHE 29 8.273 -7.969 0.735 215 HD1 PHE 29 HD2 PHE 29 9.613 -5.857 0.024 216 HD2 PHE 29 HD1 PHE 29 5.678 -5.729 1.606 217 HE1 PHE 29 HE2 PHE 29 9.951 -3.455 0.671 218 HE2 PHE 29 HE1 PHE 29 6.016 -3.327 2.252 219 HZ PHE 29 HZ PHE 29 8.149 -2.219 1.777 220 H VAL 30 H VAL 30 9.419 -8.195 -2.414 221 HA VAL 30 HA VAL 30 10.759 -5.837 -2.479 222 HB VAL 30 HB VAL 30 10.704 -8.334 -3.995 223 HG11 VAL 30 HG11 VAL 30 12.227 -7.405 -5.808 224 HG12 VAL 30 HG12 VAL 30 10.496 -7.017 -5.963 225 HG13 VAL 30 HG13 VAL 30 11.633 -5.790 -5.353 226 HG21 VAL 30 HG21 VAL 30 13.240 -7.887 -3.839 227 HG22 VAL 30 HG22 VAL 30 12.794 -6.493 -2.826 228 HG23 VAL 30 HG23 VAL 30 12.341 -8.139 -2.324 229 HA PRO 31 HA PRO 31 8.298 -4.596 -6.322 230 HB2 PRO 31 HB2 PRO 31 6.110 -6.044 -7.085 231 HB3 PRO 31 HB3 PRO 31 7.702 -6.277 -7.777 232 HG2 PRO 31 HG2 PRO 31 6.263 -7.970 -5.828 233 HG3 PRO 31 HG3 PRO 31 7.633 -8.383 -6.839 234 HD2 PRO 31 HD2 PRO 31 7.688 -7.790 -4.033 235 HD3 PRO 31 HD3 PRO 31 9.070 -8.089 -5.069 236 H VAL 32 H VAL 32 6.726 -5.734 -3.515 237 HA VAL 32 HA VAL 32 4.436 -4.090 -3.762 238 HB VAL 32 HB VAL 32 5.777 -5.484 -1.444 239 HG11 VAL 32 HG11 VAL 32 4.524 -4.285 -0.040 240 HG12 VAL 32 HG12 VAL 32 3.737 -3.436 -1.391 241 HG13 VAL 32 HG13 VAL 32 3.076 -4.982 -0.805 242 HG21 VAL 32 HG21 VAL 32 4.215 -7.205 -1.735 243 HG22 VAL 32 HG22 VAL 32 3.133 -6.189 -2.717 244 HG23 VAL 32 HG23 VAL 32 4.671 -6.769 -3.399 245 H GLY 33 H GLY 33 7.691 -3.729 -2.265 246 HA2 GLY 33 HA2 GLY 33 7.079 -1.164 -1.124 247 HA3 GLY 33 HA3 GLY 33 8.639 -1.958 -1.210 248 H ILE 34 H ILE 34 8.867 -2.411 -4.021 249 HA ILE 34 HA ILE 34 9.810 0.093 -4.840 250 HB ILE 34 HB ILE 34 9.326 -2.504 -6.289 251 HG12 ILE 34 HG12 ILE 34 11.048 -2.390 -4.450 252 HG13 ILE 34 HG13 ILE 34 11.640 -2.901 -6.018 253 HG21 ILE 34 HG21 ILE 34 9.197 -0.898 -8.014 254 HG22 ILE 34 HG22 ILE 34 10.510 0.079 -7.315 255 HG23 ILE 34 HG23 ILE 34 10.870 -1.506 -8.040 256 HD11 ILE 34 HD11 ILE 34 13.183 -1.259 -5.013 257 HD12 ILE 34 HD12 ILE 34 12.438 -0.579 -6.479 258 HD13 ILE 34 HD13 ILE 34 11.859 -0.079 -4.872 259 H ALA 35 H ALA 35 7.039 -1.874 -6.142 260 HA ALA 35 HA ALA 35 6.062 0.225 -7.722 261 HB1 ALA 35 HB1 ALA 35 4.244 -1.240 -8.150 262 HB2 ALA 35 HB2 ALA 35 5.634 -2.313 -7.858 263 HB3 ALA 35 HB3 ALA 35 4.423 -2.057 -6.579 264 H GLY 36 H GLY 36 5.193 -0.978 -4.418 265 HA2 GLY 36 HA2 GLY 36 3.026 0.594 -3.863 266 HA3 GLY 36 HA3 GLY 36 4.224 0.088 -2.688 267 H PHE 37 H PHE 37 6.518 1.436 -3.258 268 HA PHE 37 HA PHE 37 6.004 3.987 -2.300 269 HB2 PHE 37 HB2 PHE 37 8.149 2.510 -2.288 270 HB3 PHE 37 HB3 PHE 37 8.391 2.982 -3.959 271 HD1 PHE 37 HD1 PHE 37 8.703 5.455 -4.473 272 HD2 PHE 37 HD2 PHE 37 8.885 3.889 -0.534 273 HE1 PHE 37 HE1 PHE 37 9.937 7.505 -3.715 274 HE2 PHE 37 HE2 PHE 37 10.119 5.939 0.224 275 HZ PHE 37 HZ PHE 37 10.630 7.723 -1.376 276 H ALA 38 H ALA 38 6.643 2.788 -5.648 277 HA ALA 38 HA ALA 38 6.895 5.243 -6.889 278 HB1 ALA 38 HB1 ALA 38 5.438 3.146 -8.389 279 HB2 ALA 38 HB2 ALA 38 6.973 3.966 -8.765 280 HB3 ALA 38 HB3 ALA 38 6.950 2.599 -7.625 281 H ALA 39 H ALA 39 3.913 3.193 -6.508 282 HA ALA 39 HA ALA 39 2.163 5.019 -7.630 283 HB1 ALA 39 HB1 ALA 39 1.593 2.685 -7.225 284 HB2 ALA 39 HB2 ALA 39 1.754 2.916 -5.467 285 HB3 ALA 39 HB3 ALA 39 0.441 3.726 -6.355 286 H ILE 40 H ILE 40 2.830 4.418 -4.101 287 HA ILE 40 HA ILE 40 1.316 6.327 -2.994 288 HB ILE 40 HB ILE 40 4.062 5.324 -2.326 289 HG12 ILE 40 HG12 ILE 40 1.493 4.991 -0.776 290 HG13 ILE 40 HG13 ILE 40 1.881 3.957 -2.137 291 HG21 ILE 40 HG21 ILE 40 3.341 6.470 -0.000 292 HG22 ILE 40 HG22 ILE 40 4.390 7.257 -1.203 293 HG23 ILE 40 HG23 ILE 40 2.655 7.651 -1.141 294 HD11 ILE 40 HD11 ILE 40 2.644 3.355 0.375 295 HD12 ILE 40 HD12 ILE 40 3.632 2.910 -1.037 296 HD13 ILE 40 HD13 ILE 40 4.040 4.359 -0.087 297 H VAL 41 H VAL 41 4.678 6.882 -4.258 298 HA VAL 41 HA VAL 41 4.830 9.562 -3.768 299 HB VAL 41 HB VAL 41 5.938 7.765 -5.902 300 HG11 VAL 41 HG11 VAL 41 6.242 9.549 -7.239 301 HG12 VAL 41 HG12 VAL 41 5.867 10.707 -5.941 302 HG13 VAL 41 HG13 VAL 41 7.504 10.021 -6.075 303 HG21 VAL 41 HG21 VAL 41 8.081 8.375 -4.697 304 HG22 VAL 41 HG22 VAL 41 7.071 9.187 -3.477 305 HG23 VAL 41 HG23 VAL 41 6.905 7.435 -3.747 306 H ALA 42 H ALA 42 3.568 7.956 -6.775 307 HA ALA 42 HA ALA 42 2.852 10.225 -8.131 308 HB1 ALA 42 HB1 ALA 42 1.154 7.720 -8.124 309 HB2 ALA 42 HB2 ALA 42 1.575 8.784 -9.488 310 HB3 ALA 42 HB3 ALA 42 2.807 7.709 -8.785 311 H TYR 43 H TYR 43 0.688 8.210 -6.006 312 HA TYR 43 HA TYR 43 -1.557 9.655 -6.045 313 HB2 TYR 43 HB2 TYR 43 -0.271 7.712 -4.445 314 HB3 TYR 43 HB3 TYR 43 -0.535 9.011 -3.299 315 HD1 TYR 43 HD2 TYR 43 -2.273 6.743 -5.685 316 HD2 TYR 43 HD1 TYR 43 -2.682 9.404 -2.360 317 HE1 TYR 43 HE2 TYR 43 -4.676 5.978 -5.358 318 HE2 TYR 43 HE1 TYR 43 -5.083 8.631 -2.045 319 HH TYR 43 HH TYR 43 -6.621 7.246 -2.671 320 H GLY 44 H GLY 44 1.171 10.317 -3.726 321 HA2 GLY 44 HA2 GLY 44 0.155 12.541 -2.494 322 HA3 GLY 44 HA3 GLY 44 1.857 12.242 -2.782 323 H LEU 45 H LEU 45 2.257 12.469 -5.468 324 HA LEU 45 HA LEU 45 2.334 15.171 -5.907 325 HB2 LEU 45 HB2 LEU 45 2.800 12.721 -7.426 326 HB3 LEU 45 HB3 LEU 45 2.273 14.053 -8.436 327 HG LEU 45 HG LEU 45 4.473 14.555 -6.468 328 HD11 LEU 45 HD11 LEU 45 4.718 12.339 -7.999 329 HD12 LEU 45 HD12 LEU 45 5.356 13.572 -9.114 330 HD13 LEU 45 HD13 LEU 45 6.083 13.368 -7.503 331 HD21 LEU 45 HD21 LEU 45 4.929 16.364 -7.736 332 HD22 LEU 45 HD22 LEU 45 4.579 15.524 -9.265 333 HD23 LEU 45 HD23 LEU 45 3.244 16.147 -8.266 334 H TYR 46 H TYR 46 -0.169 12.772 -6.913 335 HA TYR 46 HA TYR 46 -1.704 14.640 -8.364 336 HB2 TYR 46 HB2 TYR 46 -1.580 11.929 -8.051 337 HB3 TYR 46 HB3 TYR 46 -2.818 12.240 -6.851 338 HD1 TYR 46 HD1 TYR 46 -2.026 12.255 -10.439 339 HD2 TYR 46 HD2 TYR 46 -5.049 13.010 -7.507 340 HE1 TYR 46 HE1 TYR 46 -3.799 12.273 -12.261 341 HE2 TYR 46 HE2 TYR 46 -6.811 13.026 -9.339 342 HH TYR 46 HH TYR 46 -7.155 13.079 -11.502 343 H LYS 47 H LYS 47 -1.731 13.501 -4.944 344 HA LYS 47 HA LYS 47 -4.137 14.661 -4.204 345 HB2 LYS 47 HB2 LYS 47 -1.716 13.625 -2.847 346 HB3 LYS 47 HB3 LYS 47 -2.660 14.771 -1.917 347 HG2 LYS 47 HG2 LYS 47 -4.711 13.423 -2.276 348 HG3 LYS 47 HG3 LYS 47 -3.825 12.307 -3.297 349 HD2 LYS 47 HD2 LYS 47 -3.199 11.120 -1.472 350 HD3 LYS 47 HD3 LYS 47 -2.353 12.520 -0.843 351 HE2 LYS 47 HE2 LYS 47 -5.062 13.101 -0.335 352 HE3 LYS 47 HE3 LYS 47 -4.943 11.382 -0.020 353 HZ1 LYS 47 HZ1 LYS 47 -2.790 12.153 1.267 354 HZ2 LYS 47 HZ2 LYS 47 -3.575 13.578 1.354 355 HZ3 LYS 47 HZ3 LYS 47 -4.281 12.221 1.937 356 H LEU 48 H LEU 48 -0.789 16.010 -4.308 357 HA LEU 48 HA LEU 48 -1.113 18.369 -3.070 358 HB2 LEU 48 HB2 LEU 48 0.637 17.245 -5.019 359 HB3 LEU 48 HB3 LEU 48 0.275 18.890 -5.502 360 HG LEU 48 HG LEU 48 1.371 18.049 -2.804 361 HD11 LEU 48 HD11 LEU 48 3.066 19.782 -4.395 362 HD12 LEU 48 HD12 LEU 48 3.430 18.222 -3.619 363 HD13 LEU 48 HD13 LEU 48 2.707 18.260 -5.245 364 HD21 LEU 48 HD21 LEU 48 1.831 20.694 -2.906 365 HD22 LEU 48 HD22 LEU 48 0.320 20.623 -3.845 366 HD23 LEU 48 HD23 LEU 48 0.368 19.980 -2.186 367 H LYS 49 H LYS 49 -1.833 17.844 -6.598 368 HA LYS 49 HA LYS 49 -3.109 20.364 -6.812 369 HB2 LYS 49 HB2 LYS 49 -1.967 18.759 -8.595 370 HB3 LYS 49 HB3 LYS 49 -3.599 18.144 -8.762 371 HG2 LYS 49 HG2 LYS 49 -4.449 20.427 -9.221 372 HG3 LYS 49 HG3 LYS 49 -2.853 21.101 -8.956 373 HD2 LYS 49 HD2 LYS 49 -2.879 18.900 -10.945 374 HD3 LYS 49 HD3 LYS 49 -3.867 20.269 -11.415 375 HE2 LYS 49 HE2 LYS 49 -1.994 21.804 -11.238 376 HE3 LYS 49 HE3 LYS 49 -1.003 20.608 -10.426 377 HZ1 LYS 49 HZ1 LYS 49 -2.026 19.951 -13.099 378 HZ2 LYS 49 HZ2 LYS 49 -0.777 20.990 -12.997 379 HZ3 LYS 49 HZ3 LYS 49 -0.650 19.497 -12.340 380 H SER 50 H SER 50 -5.202 20.958 -6.458 381 HA SER 50 HA SER 50 -6.939 18.807 -5.556 382 HB2 SER 50 HB2 SER 50 -6.352 21.432 -4.542 383 HB3 SER 50 HB3 SER 50 -8.036 21.425 -5.026 384 HG SER 50 HG SER 50 -7.671 20.710 -2.795 385 H ARG 51 H ARG 51 -8.206 18.069 -7.235 386 HA ARG 51 HA ARG 51 -10.109 19.708 -8.344 387 HB2 ARG 51 HB2 ARG 51 -7.705 20.207 -9.615 388 HB3 ARG 51 HB3 ARG 51 -8.343 18.928 -10.628 389 HG2 ARG 51 HG2 ARG 51 -9.541 20.554 -11.678 390 HG3 ARG 51 HG3 ARG 51 -10.582 20.542 -10.268 391 HD2 ARG 51 HD2 ARG 51 -8.090 22.177 -9.996 392 HD3 ARG 51 HD3 ARG 51 -9.249 22.772 -11.168 393 HE ARG 51 HE ARG 51 -10.744 22.129 -8.862 394 HH11 ARG 51 HH22 ARG 51 -8.139 24.374 -9.714 395 HH12 ARG 51 HH21 ARG 51 -8.598 25.552 -8.530 396 HH21 ARG 51 HH12 ARG 51 -11.329 23.667 -7.329 397 HH22 ARG 51 HH11 ARG 51 -10.428 25.140 -7.165 398 H GLY 52 H GLY 52 -11.259 17.775 -7.615 399 HA2 GLY 52 HA2 GLY 52 -12.218 16.030 -9.327 400 HA3 GLY 52 HA3 GLY 52 -10.667 15.275 -9.017 401 H ASN 53 H ASN 53 -11.191 13.495 -7.772 402 HA ASN 53 HA ASN 53 -13.082 13.866 -5.637 403 HB2 ASN 53 HB2 ASN 53 -12.689 11.348 -5.326 404 HB3 ASN 53 HB3 ASN 53 -13.337 11.804 -6.889 405 HD21 ASN 53 HD21 ASN 53 -11.301 9.777 -5.518 406 HD22 ASN 53 HD22 ASN 53 -10.062 9.604 -6.716 407 H THR 54 H THR 54 -12.283 14.550 -3.645 408 HA THR 54 HA THR 54 -9.723 13.436 -2.757 409 HB THR 54 HB THR 54 -9.423 15.752 -3.809 410 HG1 THR 54 HG1 THR 54 -7.872 15.733 -2.233 411 HG21 THR 54 HG21 THR 54 -10.503 17.613 -2.969 412 HG22 THR 54 HG22 THR 54 -11.735 16.440 -2.447 413 HG23 THR 54 HG23 THR 54 -10.482 16.981 -1.305 414 H LYS 55 H LYS 55 -9.471 13.285 -0.474 415 HA LYS 55 HA LYS 55 -11.531 14.173 1.254 416 HB2 LYS 55 HB2 LYS 55 -11.961 11.644 -0.066 417 HB3 LYS 55 HB3 LYS 55 -11.732 11.375 1.650 418 HG2 LYS 55 HG2 LYS 55 -13.420 13.261 2.072 419 HG3 LYS 55 HG3 LYS 55 -13.745 13.265 0.350 420 HD2 LYS 55 HD2 LYS 55 -15.361 11.735 0.937 421 HD3 LYS 55 HD3 LYS 55 -14.030 10.602 0.810 422 HE2 LYS 55 HE2 LYS 55 -14.233 10.089 3.009 423 HE3 LYS 55 HE3 LYS 55 -13.910 11.755 3.444 424 HZ1 LYS 55 HZ1 LYS 55 -16.062 11.260 4.269 425 HZ2 LYS 55 HZ2 LYS 55 -16.354 12.160 2.943 426 HZ3 LYS 55 HZ3 LYS 55 -16.499 10.531 2.871 427 H MET 56 H MET 56 -11.130 13.224 3.542 428 HA MET 56 HA MET 56 -9.767 12.934 5.209 429 HB2 MET 56 HB2 MET 56 -8.627 11.184 3.062 430 HB3 MET 56 HB3 MET 56 -7.497 11.565 4.346 431 HG2 MET 56 HG2 MET 56 -8.606 10.265 5.877 432 HG3 MET 56 HG3 MET 56 -10.181 10.839 5.367 433 HE1 MET 56 HE1 MET 56 -10.958 8.791 5.961 434 HE2 MET 56 HE2 MET 56 -11.409 7.659 4.664 435 HE3 MET 56 HE3 MET 56 -10.027 7.293 5.725 436 H SER 57 H SER 57 -8.778 14.724 6.031 437 HA SER 57 HA SER 57 -6.192 15.385 5.300 438 HB2 SER 57 HB2 SER 57 -7.871 16.367 3.389 439 HB3 SER 57 HB3 SER 57 -7.929 17.699 4.526 440 HG SER 57 HG SER 57 -5.402 16.571 3.734 441 H ILE 58 H ILE 58 -6.346 15.076 7.689 442 HA ILE 58 HA ILE 58 -7.077 17.600 8.964 443 HB ILE 58 HB ILE 58 -8.986 16.283 9.380 444 HG12 ILE 58 HG12 ILE 58 -8.393 15.632 11.959 445 HG13 ILE 58 HG13 ILE 58 -7.071 16.725 11.596 446 HG21 ILE 58 HG21 ILE 58 -7.061 14.040 10.004 447 HG22 ILE 58 HG22 ILE 58 -8.774 14.008 10.485 448 HG23 ILE 58 HG23 ILE 58 -8.335 14.099 8.763 449 HD11 ILE 58 HD11 ILE 58 -9.938 17.449 10.891 450 HD12 ILE 58 HD12 ILE 58 -9.265 17.767 12.508 451 HD13 ILE 58 HD13 ILE 58 -8.538 18.532 11.075 452 H HIS 59 H HIS 59 -5.041 18.322 9.424 453 HA HIS 59 HA HIS 59 -3.645 17.262 11.519 454 HB2 HIS 59 HB2 HIS 59 -3.212 15.705 9.188 455 HB3 HIS 59 HB3 HIS 59 -1.749 16.637 9.440 456 HD1 HIS 59 HD1 HIS 59 -1.419 13.700 9.823 457 HD2 HIS 59 HD2 HIS 59 -2.699 16.202 12.937 458 HE1 HIS 59 HE1 HIS 59 -0.893 12.467 11.994 459 H LEU 60 H LEU 60 -1.311 18.267 11.606 460 HA LEU 60 HA LEU 60 -1.539 20.976 11.318 461 HB2 LEU 60 HB2 LEU 60 0.913 19.219 11.409 462 HB3 LEU 60 HB3 LEU 60 0.964 20.967 11.523 463 HG LEU 60 HG LEU 60 -0.888 19.701 13.434 464 HD11 LEU 60 HD11 LEU 60 0.864 18.864 14.930 465 HD12 LEU 60 HD12 LEU 60 0.817 17.958 13.399 466 HD13 LEU 60 HD13 LEU 60 2.087 19.175 13.675 467 HD21 LEU 60 HD21 LEU 60 1.410 21.514 14.108 468 HD22 LEU 60 HD22 LEU 60 -0.016 22.147 13.252 469 HD23 LEU 60 HD23 LEU 60 -0.202 21.392 14.853 470 H ILE 61 H ILE 61 0.256 22.284 9.933 471 HA ILE 61 HA ILE 61 -0.643 22.490 7.418 472 HB ILE 61 HB ILE 61 2.142 22.950 8.480 473 HG12 ILE 61 HG12 ILE 61 0.907 25.384 8.015 474 HG13 ILE 61 HG13 ILE 61 -0.407 24.396 8.619 475 HG21 ILE 61 HG21 ILE 61 0.949 23.578 5.788 476 HG22 ILE 61 HG22 ILE 61 2.238 24.585 6.489 477 HG23 ILE 61 HG23 ILE 61 2.526 22.855 6.185 478 HD11 ILE 61 HD11 ILE 61 1.764 23.725 10.287 479 HD12 ILE 61 HD12 ILE 61 1.899 25.485 10.057 480 HD13 ILE 61 HD13 ILE 61 0.396 24.785 10.704 481 H HIS 62 H HIS 62 2.549 20.871 8.027 482 HA HIS 62 HA HIS 62 3.596 19.303 6.892 483 HB2 HIS 62 HB2 HIS 62 0.828 18.069 6.853 484 HB3 HIS 62 HB3 HIS 62 2.308 17.210 6.477 485 HD1 HIS 62 HD1 HIS 62 0.728 16.101 8.770 486 HD2 HIS 62 HD2 HIS 62 3.583 19.130 9.288 487 HE1 HIS 62 HE1 HIS 62 1.429 16.011 11.221 488 H MET 63 H MET 63 3.314 17.748 4.722 489 HA MET 63 HA MET 63 2.120 19.424 2.675 490 HB2 MET 63 HB2 MET 63 5.020 18.656 3.030 491 HB3 MET 63 HB3 MET 63 4.402 18.625 1.391 492 HG2 MET 63 HG2 MET 63 3.416 21.034 2.088 493 HG3 MET 63 HG3 MET 63 4.723 20.978 3.254 494 HE1 MET 63 HE1 MET 63 6.073 22.492 2.811 495 HE2 MET 63 HE2 MET 63 7.515 21.646 2.201 496 HE3 MET 63 HE3 MET 63 6.829 23.010 1.286 497 H ARG 64 H ARG 64 4.119 16.402 3.073 498 HA ARG 64 HA ARG 64 2.095 14.674 2.516 499 HB2 ARG 64 HB2 ARG 64 2.743 14.001 0.118 500 HB3 ARG 64 HB3 ARG 64 1.859 15.506 0.268 501 HG2 ARG 64 HG2 ARG 64 4.367 16.508 0.482 502 HG3 ARG 64 HG3 ARG 64 4.754 15.060 -0.426 503 HD2 ARG 64 HD2 ARG 64 2.380 16.494 -1.481 504 HD3 ARG 64 HD3 ARG 64 3.842 17.459 -1.523 505 HE ARG 64 HE ARG 64 3.297 15.041 -3.091 506 HH11 ARG 64 HH22 ARG 64 5.836 17.173 -1.841 507 HH12 ARG 64 HH21 ARG 64 6.995 16.699 -3.038 508 HH21 ARG 64 HH12 ARG 64 4.812 14.434 -4.639 509 HH22 ARG 64 HH11 ARG 64 6.401 15.128 -4.640 510 H VAL 65 H VAL 65 5.545 15.434 1.698 511 HA VAL 65 HA VAL 65 6.563 12.892 1.666 512 HB VAL 65 HB VAL 65 7.734 15.511 2.608 513 HG11 VAL 65 HG11 VAL 65 9.369 14.249 3.519 514 HG12 VAL 65 HG12 VAL 65 8.883 12.788 2.625 515 HG13 VAL 65 HG13 VAL 65 9.890 14.023 1.832 516 HG21 VAL 65 HG21 VAL 65 7.823 15.988 0.433 517 HG22 VAL 65 HG22 VAL 65 8.884 14.580 0.185 518 HG23 VAL 65 HG23 VAL 65 7.120 14.404 0.027 519 H ALA 66 H ALA 66 6.486 15.136 4.532 520 HA ALA 66 HA ALA 66 7.397 13.360 6.396 521 HB1 ALA 66 HB1 ALA 66 5.780 14.801 7.924 522 HB2 ALA 66 HB2 ALA 66 7.191 15.551 7.139 523 HB3 ALA 66 HB3 ALA 66 5.569 15.751 6.433 524 H ALA 67 H ALA 67 3.905 14.068 5.647 525 HA ALA 67 HA ALA 67 2.800 12.153 7.250 526 HB1 ALA 67 HB1 ALA 67 1.216 13.530 6.322 527 HB2 ALA 67 HB2 ALA 67 2.037 13.589 4.743 528 HB3 ALA 67 HB3 ALA 67 1.062 12.167 5.187 529 H GLN 68 H GLN 68 4.513 11.805 4.157 530 HA GLN 68 HA GLN 68 3.568 9.213 3.637 531 HB2 GLN 68 HB2 GLN 68 5.290 11.149 2.389 532 HB3 GLN 68 HB3 GLN 68 6.172 9.637 2.469 533 HG2 GLN 68 HG2 GLN 68 3.964 8.541 1.566 534 HG3 GLN 68 HG3 GLN 68 3.490 10.174 1.143 535 HE21 GLN 68 HE21 GLN 68 3.751 10.469 -0.930 536 HE22 GLN 68 HE22 GLN 68 5.123 10.028 -1.890 537 H GLY 69 H GLY 69 6.458 10.570 5.309 538 HA2 GLY 69 HA2 GLY 69 7.846 8.162 5.681 539 HA3 GLY 69 HA3 GLY 69 8.002 9.622 6.638 540 H PHE 70 H PHE 70 5.241 9.797 7.570 541 HA PHE 70 HA PHE 70 5.452 8.087 9.796 542 HB2 PHE 70 HB2 PHE 70 4.364 10.347 9.770 543 HB3 PHE 70 HB3 PHE 70 3.201 9.797 8.581 544 HD1 PHE 70 HD1 PHE 70 1.530 8.016 9.259 545 HD2 PHE 70 HD2 PHE 70 3.965 10.054 12.074 546 HE1 PHE 70 HE1 PHE 70 -0.036 7.343 11.101 547 HE2 PHE 70 HE2 PHE 70 2.399 9.381 13.916 548 HZ PHE 70 HZ PHE 70 0.417 8.033 13.407 549 H VAL 71 H VAL 71 3.028 8.231 7.082 550 HA VAL 71 HA VAL 71 1.641 5.953 7.839 551 HB VAL 71 HB VAL 71 0.803 5.976 5.542 552 HG11 VAL 71 HG11 VAL 71 -0.258 7.500 7.039 553 HG12 VAL 71 HG12 VAL 71 1.080 8.667 6.909 554 HG13 VAL 71 HG13 VAL 71 0.009 8.381 5.516 555 HG21 VAL 71 HG21 VAL 71 1.662 7.822 4.008 556 HG22 VAL 71 HG22 VAL 71 3.079 7.919 5.082 557 HG23 VAL 71 HG23 VAL 71 2.721 6.406 4.215 558 H VAL 72 H VAL 72 4.641 6.397 5.932 559 HA VAL 72 HA VAL 72 4.791 3.818 4.894 560 HB VAL 72 HB VAL 72 6.649 6.078 5.424 561 HG11 VAL 72 HG11 VAL 72 8.521 4.610 4.428 562 HG12 VAL 72 HG12 VAL 72 8.136 4.414 6.155 563 HG13 VAL 72 HG13 VAL 72 7.539 3.227 4.970 564 HG21 VAL 72 HG21 VAL 72 5.997 4.403 2.976 565 HG22 VAL 72 HG22 VAL 72 5.353 6.017 3.362 566 HG23 VAL 72 HG23 VAL 72 7.084 5.812 3.002 567 H GLY 73 H GLY 73 6.640 5.160 7.727 568 HA2 GLY 73 HA2 GLY 73 7.718 2.895 8.720 569 HA3 GLY 73 HA3 GLY 73 7.129 4.208 9.720 570 H ALA 74 H ALA 74 4.453 4.178 9.709 571 HA ALA 74 HA ALA 74 3.743 2.090 11.332 572 HB1 ALA 74 HB1 ALA 74 2.501 4.182 11.192 573 HB2 ALA 74 HB2 ALA 74 2.038 3.833 9.509 574 HB3 ALA 74 HB3 ALA 74 1.404 2.827 10.833 575 H MET 75 H MET 75 2.835 2.504 7.830 576 HA MET 75 HA MET 75 1.554 0.216 7.423 577 HB2 MET 75 HB2 MET 75 3.382 1.954 5.798 578 HB3 MET 75 HB3 MET 75 3.103 0.362 5.122 579 HG2 MET 75 HG2 MET 75 0.882 0.793 4.655 580 HG3 MET 75 HG3 MET 75 0.644 1.735 6.113 581 HE1 MET 75 HE1 MET 75 0.442 3.096 2.202 582 HE2 MET 75 HE2 MET 75 -0.297 1.907 3.301 583 HE3 MET 75 HE3 MET 75 -0.654 3.640 3.495 584 H THR 76 H THR 76 5.163 0.578 7.108 585 HA THR 76 HA THR 76 5.776 -2.023 6.506 586 HB THR 76 HB THR 76 7.236 0.081 8.183 587 HG1 THR 76 HG1 THR 76 8.030 0.569 6.081 588 HG21 THR 76 HG21 THR 76 7.970 -2.635 7.894 589 HG22 THR 76 HG22 THR 76 8.862 -1.796 6.602 590 HG23 THR 76 HG23 THR 76 9.066 -1.292 8.297 591 H VAL 77 H VAL 77 5.328 -0.583 9.794 592 HA VAL 77 HA VAL 77 5.972 -2.841 11.234 593 HB VAL 77 HB VAL 77 3.949 -0.664 11.795 594 HG11 VAL 77 HG11 VAL 77 4.401 -1.263 14.209 595 HG12 VAL 77 HG12 VAL 77 3.462 -2.463 13.289 596 HG13 VAL 77 HG13 VAL 77 5.189 -2.745 13.618 597 HG21 VAL 77 HG21 VAL 77 6.545 -0.244 11.356 598 HG22 VAL 77 HG22 VAL 77 5.646 0.639 12.613 599 HG23 VAL 77 HG23 VAL 77 6.658 -0.757 13.057 600 H GLY 78 H GLY 78 2.763 -1.800 9.906 601 HA2 GLY 78 HA2 GLY 78 1.184 -3.826 10.870 602 HA3 GLY 78 HA3 GLY 78 0.955 -3.011 9.336 603 H MET 79 H MET 79 3.117 -3.787 7.787 604 HA MET 79 HA MET 79 2.342 -6.249 6.901 605 HB2 MET 79 HB2 MET 79 4.303 -4.239 6.278 606 HB3 MET 79 HB3 MET 79 5.174 -5.759 6.339 607 HG2 MET 79 HG2 MET 79 4.415 -6.176 4.236 608 HG3 MET 79 HG3 MET 79 2.820 -6.400 4.926 609 HE1 MET 79 HE1 MET 79 1.440 -4.587 5.681 610 HE2 MET 79 HE2 MET 79 1.284 -2.973 4.947 611 HE3 MET 79 HE3 MET 79 0.697 -4.408 4.073 612 H GLY 80 H GLY 80 5.199 -5.386 8.969 613 HA2 GLY 80 HA2 GLY 80 6.336 -7.889 9.210 614 HA3 GLY 80 HA3 GLY 80 6.402 -6.617 10.414 615 H TYR 81 H TYR 81 3.560 -6.423 10.999 616 HA TYR 81 HA TYR 81 3.371 -8.526 12.882 617 HB2 TYR 81 HB2 TYR 81 2.463 -6.173 13.103 618 HB3 TYR 81 HB3 TYR 81 1.412 -6.444 11.727 619 HD1 TYR 81 HD2 TYR 81 -0.307 -8.428 11.966 620 HD2 TYR 81 HD1 TYR 81 1.642 -6.520 15.262 621 HE1 TYR 81 HE2 TYR 81 -2.133 -9.250 13.532 622 HE2 TYR 81 HE1 TYR 81 -0.191 -7.348 16.816 623 HH TYR 81 HH TYR 81 -2.948 -8.099 16.108 624 H SER 82 H SER 82 2.154 -8.010 9.581 625 HA SER 82 HA SER 82 0.511 -10.388 9.894 626 HB2 SER 82 HB2 SER 82 0.524 -8.154 7.826 627 HB3 SER 82 HB3 SER 82 -0.388 -9.632 7.593 628 HG SER 82 HG SER 82 -1.911 -8.542 8.656 629 H MET 83 H MET 83 0.401 -11.521 7.445 630 HA MET 83 HA MET 83 1.435 -12.798 6.024 631 HB2 MET 83 HB2 MET 83 3.632 -10.669 6.261 632 HB3 MET 83 HB3 MET 83 3.661 -11.942 5.057 633 HG2 MET 83 HG2 MET 83 2.620 -10.254 3.826 634 HG3 MET 83 HG3 MET 83 1.208 -11.054 4.486 635 HE1 MET 83 HE1 MET 83 -0.743 -8.800 5.527 636 HE2 MET 83 HE2 MET 83 0.036 -7.645 4.419 637 HE3 MET 83 HE3 MET 83 -0.081 -9.364 3.974 638 H TYR 84 H TYR 84 4.390 -11.613 7.771 639 HA TYR 84 HA TYR 84 5.227 -14.339 8.166 640 HB2 TYR 84 HB2 TYR 84 6.334 -11.733 7.884 641 HB3 TYR 84 HB3 TYR 84 6.594 -12.092 9.580 642 HD1 TYR 84 HD1 TYR 84 7.969 -14.087 10.238 643 HD2 TYR 84 HD2 TYR 84 7.623 -12.808 6.169 644 HE1 TYR 84 HE1 TYR 84 10.025 -15.451 9.627 645 HE2 TYR 84 HE2 TYR 84 9.681 -14.177 5.572 646 HH TYR 84 HH TYR 84 11.653 -15.632 8.033 647 H ARG 85 H ARG 85 5.432 -15.445 10.135 648 HA ARG 85 HA ARG 85 3.637 -14.509 12.137 649 HB2 ARG 85 HB2 ARG 85 4.643 -17.037 11.268 650 HB3 ARG 85 HB3 ARG 85 5.198 -16.857 12.921 651 HG2 ARG 85 HG2 ARG 85 3.129 -17.459 13.623 652 HG3 ARG 85 HG3 ARG 85 2.517 -15.950 12.975 653 HD2 ARG 85 HD2 ARG 85 2.947 -18.140 10.974 654 HD3 ARG 85 HD3 ARG 85 1.662 -18.412 12.133 655 HE ARG 85 HE ARG 85 1.673 -16.438 9.985 656 HH11 ARG 85 HH22 ARG 85 0.322 -17.179 13.176 657 HH12 ARG 85 HH21 ARG 85 -1.081 -16.188 12.949 658 HH21 ARG 85 HH12 ARG 85 -0.153 -15.154 9.704 659 HH22 ARG 85 HH11 ARG 85 -1.347 -15.029 10.955 660 H GLU 86 H GLU 86 4.511 -12.785 13.326 661 HA GLU 86 HA GLU 86 5.843 -11.665 14.629 662 HB2 GLU 86 HB2 GLU 86 6.395 -14.495 15.564 663 HB3 GLU 86 HB3 GLU 86 7.215 -13.142 16.319 664 HG2 GLU 86 HG2 GLU 86 5.310 -12.397 17.371 665 HG3 GLU 86 HG3 GLU 86 4.287 -12.739 15.990 666 H PHE 87 H PHE 87 7.363 -10.515 13.484 667 HA PHE 87 HA PHE 87 9.321 -11.624 11.890 668 HB2 PHE 87 HB2 PHE 87 8.322 -9.157 12.348 669 HB3 PHE 87 HB3 PHE 87 9.672 -9.029 13.458 670 HD1 PHE 87 HD2 PHE 87 11.982 -9.939 12.309 671 HD2 PHE 87 HD1 PHE 87 8.668 -8.248 10.269 672 HE1 PHE 87 HE2 PHE 87 13.485 -9.288 10.407 673 HE2 PHE 87 HE1 PHE 87 10.171 -7.597 8.367 674 HZ PHE 87 HZ PHE 87 12.562 -8.125 8.459 675 H TRP 88 H TRP 88 11.174 -12.716 12.329 676 HA TRP 88 HA TRP 88 12.321 -12.336 15.012 677 HB2 TRP 88 HB2 TRP 88 11.289 -14.634 14.107 678 HB3 TRP 88 HB3 TRP 88 12.900 -14.789 13.435 679 HD1 TRP 88 HD1 TRP 88 11.597 -13.722 16.981 680 HE1 TRP 88 HE1 TRP 88 12.979 -14.943 18.868 681 HE3 TRP 88 HE3 TRP 88 14.637 -16.295 13.819 682 HZ2 TRP 88 HZ2 TRP 88 15.141 -16.806 18.827 683 HZ3 TRP 88 HZ3 TRP 88 16.357 -17.793 14.825 684 HH2 TRP 88 HH2 TRP 88 16.635 -18.070 17.237 685 H ALA 89 H ALA 89 13.224 -13.482 11.671 686 HA ALA 89 HA ALA 89 15.328 -11.487 11.609 687 HB1 ALA 89 HB1 ALA 89 17.082 -12.896 11.837 688 HB2 ALA 89 HB2 ALA 89 15.912 -14.030 12.554 689 HB3 ALA 89 HB3 ALA 89 16.319 -14.145 10.825 690 H LYS 90 H LYS 90 16.082 -11.076 9.435 691 HA LYS 90 HA LYS 90 14.164 -12.054 7.453 692 HB2 LYS 90 HB2 LYS 90 14.793 -10.072 6.157 693 HB3 LYS 90 HB3 LYS 90 14.199 -9.644 7.749 694 HG2 LYS 90 HG2 LYS 90 17.124 -10.087 7.706 695 HG3 LYS 90 HG3 LYS 90 16.620 -8.805 6.624 696 HD2 LYS 90 HD2 LYS 90 16.152 -7.397 8.350 697 HD3 LYS 90 HD3 LYS 90 15.208 -8.614 9.187 698 HE2 LYS 90 HE2 LYS 90 16.907 -9.025 10.636 699 HE3 LYS 90 HE3 LYS 90 18.018 -9.346 9.320 700 HZ1 LYS 90 HZ1 LYS 90 18.687 -7.126 9.265 701 HZ2 LYS 90 HZ2 LYS 90 17.335 -6.553 9.970 702 HZ3 LYS 90 HZ3 LYS 90 18.429 -7.382 10.860 703 HA PRO 91 HA PRO 91 17.276 -14.257 5.434 704 HB2 PRO 91 HB2 PRO 91 16.375 -14.285 2.854 705 HB3 PRO 91 HB3 PRO 91 15.750 -15.348 4.099 706 HG2 PRO 91 HG2 PRO 91 14.499 -12.945 2.915 707 HG3 PRO 91 HG3 PRO 91 13.746 -14.240 3.824 708 HD2 PRO 91 HD2 PRO 91 14.378 -11.612 4.784 709 HD3 PRO 91 HD3 PRO 91 13.732 -12.944 5.722 710 H LYS 92 H LYS 92 19.134 -13.065 5.791 711 HA LYS 92 HA LYS 92 20.851 -11.815 5.191 712 HB2 LYS 92 HB2 LYS 92 20.074 -13.216 2.861 713 HB3 LYS 92 HB3 LYS 92 20.447 -11.586 2.339 714 HG2 LYS 92 HG2 LYS 92 22.661 -11.679 3.366 715 HG3 LYS 92 HG3 LYS 92 22.288 -13.193 4.165 716 HD2 LYS 92 HD2 LYS 92 22.496 -14.451 2.207 717 HD3 LYS 92 HD3 LYS 92 22.008 -13.126 1.170 718 HE2 LYS 92 HE2 LYS 92 24.265 -13.073 0.687 719 HE3 LYS 92 HE3 LYS 92 24.312 -12.052 2.110 720 HZ1 LYS 92 HZ1 LYS 92 25.674 -13.584 2.999 721 HZ2 LYS 92 HZ2 LYS 92 24.446 -14.653 3.053 722 HZ3 LYS 92 HZ3 LYS 92 25.417 -14.591 1.736 723 HA PRO 93 HA PRO 93 18.524 -8.033 5.124 724 HB2 PRO 93 HB2 PRO 93 19.904 -6.791 7.130 725 HB3 PRO 93 HB3 PRO 93 18.476 -7.767 7.411 726 HG2 PRO 93 HG2 PRO 93 21.309 -8.436 7.927 727 HG3 PRO 93 HG3 PRO 93 19.867 -9.192 8.575 728 HD2 PRO 93 HD2 PRO 93 21.554 -10.215 6.493 729 HD3 PRO 93 HD3 PRO 93 20.050 -10.912 7.060
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