NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22492 | 2jox | 15208 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA CYS 2 HA CYS 2 -1.346 14.937 -10.600 2 H1 CYS 2 1H CYS 2 -1.174 15.683 -7.868 3 HB2 CYS 2 1HB CYS 2 -0.164 17.336 -10.690 4 HB3 CYS 2 2HB CYS 2 -1.859 17.108 -10.368 5 H GLY 3 H GLY 3 0.693 13.645 -8.679 6 HA2 GLY 3 1HA GLY 3 2.645 12.439 -8.964 7 HA3 GLY 3 2HA GLY 3 2.819 13.035 -10.607 8 H ASP 4 H ASP 4 2.687 15.889 -9.826 9 HA ASP 4 HA ASP 4 5.411 16.391 -8.894 10 HB2 ASP 4 1HB ASP 4 2.984 18.137 -9.416 11 HB3 ASP 4 2HB ASP 4 4.463 18.784 -8.705 12 H CYS 5 H CYS 5 2.385 15.702 -7.351 13 HA CYS 5 HA CYS 5 2.679 16.883 -4.821 14 HB2 CYS 5 1HB CYS 5 1.327 14.288 -5.729 15 HB3 CYS 5 2HB CYS 5 1.265 14.863 -4.103 16 H VAL 6 H VAL 6 4.283 14.050 -6.233 17 HA VAL 6 HA VAL 6 5.312 13.168 -3.554 18 HB VAL 6 HB VAL 6 5.613 11.016 -4.399 19 HG11 VAL 6 1HG1 VAL 6 3.373 11.593 -3.561 20 HG12 VAL 6 2HG1 VAL 6 2.841 11.989 -5.206 21 HG13 VAL 6 3HG1 VAL 6 3.296 10.336 -4.804 22 HG21 VAL 6 3HG2 VAL 6 4.949 10.188 -6.555 23 HG22 VAL 6 1HG2 VAL 6 4.428 11.790 -7.083 24 HG23 VAL 6 2HG2 VAL 6 6.153 11.448 -6.814 25 H GLU 7 H GLU 7 7.545 13.007 -3.185 26 HA GLU 7 HA GLU 7 9.376 14.460 -4.874 27 HB2 GLU 7 1HB GLU 7 9.681 14.163 -2.400 28 HB3 GLU 7 2HB GLU 7 9.991 12.477 -2.663 29 HG2 GLU 7 1HG GLU 7 12.110 13.434 -2.457 30 HG3 GLU 7 2HG GLU 7 11.932 13.205 -4.188 31 H LYS 8 H LYS 8 8.732 10.995 -4.403 32 HA LYS 8 HA LYS 8 10.049 10.350 -7.012 33 HB2 LYS 8 1HB LYS 8 10.230 8.817 -4.376 34 HB3 LYS 8 2HB LYS 8 10.740 8.173 -5.941 35 HG2 LYS 8 1HG LYS 8 12.383 10.046 -6.160 36 HG3 LYS 8 2HG LYS 8 11.915 10.622 -4.546 37 HD2 LYS 8 1HD LYS 8 12.627 8.459 -3.562 38 HD3 LYS 8 2HD LYS 8 13.110 7.887 -5.176 39 HE2 LYS 8 1HE LYS 8 14.712 9.785 -5.358 40 HE3 LYS 8 2HE LYS 8 14.240 10.338 -3.746 41 HZ1 LYS 8 3HZ LYS 8 16.263 9.000 -3.665 42 HZ2 LYS 8 1HZ LYS 8 15.517 7.719 -4.343 43 HZ3 LYS 8 2HZ LYS 8 15.079 8.228 -2.851 44 H GLU 9 H GLU 9 8.961 8.894 -8.255 45 HA GLU 9 HA GLU 9 6.151 8.278 -7.599 46 HB2 GLU 9 1HB GLU 9 7.974 7.844 -9.999 47 HB3 GLU 9 2HB GLU 9 6.389 7.080 -9.917 48 HG2 GLU 9 1HG GLU 9 5.222 8.966 -10.230 49 HG3 GLU 9 2HG GLU 9 6.375 10.013 -9.404 50 H TYR 10 H TYR 10 5.536 6.442 -6.587 51 HA TYR 10 HA TYR 10 5.678 4.445 -5.493 52 HD1 TYR 10 HD1 TYR 10 5.258 5.382 -9.227 53 HD2 TYR 10 HD2 TYR 10 3.677 2.046 -6.966 54 HE1 TYR 10 HE1 TYR 10 3.043 5.774 -10.215 55 HE2 TYR 10 HE2 TYR 10 1.425 2.486 -7.935 56 HH TYR 10 HH TYR 10 0.187 3.747 -9.392 57 HB2 TYR 10 1HB TYR 10 6.751 3.451 -8.137 58 HB3 TYR 10 2HB TYR 10 5.986 2.506 -6.890 59 HA PRO 11 HA PRO 11 10.258 4.821 -4.545 60 HB2 PRO 11 1HB PRO 11 9.971 5.499 -1.898 61 HB3 PRO 11 2HB PRO 11 9.923 6.708 -3.233 62 HG2 PRO 11 1HG PRO 11 7.566 5.354 -1.885 63 HG3 PRO 11 2HG PRO 11 7.862 7.104 -2.101 64 HD2 PRO 11 1HD PRO 11 6.332 5.788 -3.868 65 HD3 PRO 11 2HD PRO 11 7.552 6.917 -4.488 66 H ASN 12 H ASN 12 11.467 3.091 -3.533 67 HA ASN 12 HA ASN 12 9.830 0.818 -2.631 68 HB2 ASN 12 1HB ASN 12 12.866 1.203 -2.742 69 HB3 ASN 12 2HB ASN 12 12.038 -0.305 -2.356 70 HD21 ASN 12 1HD2 ASN 12 10.108 -0.676 -4.238 71 HD22 ASN 12 2HD2 ASN 12 10.861 -0.657 -5.831 72 H ARG 13 H ARG 13 9.707 -0.016 -0.564 73 HA ARG 13 HA ARG 13 10.559 1.841 1.653 74 HE ARG 13 HE ARG 13 9.088 3.867 3.309 75 HB2 ARG 13 1HB ARG 13 8.088 0.074 1.509 76 HB3 ARG 13 2HB ARG 13 8.518 1.198 2.805 77 HG2 ARG 13 1HG ARG 13 7.833 1.985 -0.047 78 HG3 ARG 13 2HG ARG 13 6.774 2.074 1.350 79 HD2 ARG 13 1HD ARG 13 9.379 3.622 1.022 80 HD3 ARG 13 2HD ARG 13 7.785 4.285 0.752 81 HH11 ARG 13 1HH1 ARG 13 5.903 4.196 1.875 82 HH12 ARG 13 2HH1 ARG 13 5.142 4.446 3.426 83 HH21 ARG 13 1HH2 ARG 13 8.053 4.225 5.235 84 HH22 ARG 13 2HH2 ARG 13 6.337 4.491 5.267 85 H GLY 14 H GLY 14 12.117 -0.324 0.626 86 HA2 GLY 14 1HA GLY 14 13.456 -2.014 1.304 87 HA3 GLY 14 2HA GLY 14 13.225 -1.425 2.961 88 H ASN 15 H ASN 15 10.474 -2.447 1.382 89 HA ASN 15 HA ASN 15 9.530 -4.552 0.949 90 HB2 ASN 15 1HB ASN 15 9.728 -6.466 2.277 91 HB3 ASN 15 2HB ASN 15 11.343 -5.864 2.164 92 HD21 ASN 15 1HD2 ASN 15 10.576 -7.711 4.160 93 HD22 ASN 15 2HD2 ASN 15 10.620 -6.877 5.712 94 H THR 16 H THR 16 9.013 -2.130 3.148 95 HA THR 16 HA THR 16 6.881 -3.110 4.777 96 HB THR 16 HB THR 16 7.420 -0.276 3.831 97 HG1 THR 16 HG1 THR 16 9.189 -0.908 4.888 98 HG21 THR 16 3HG2 THR 16 5.267 -0.260 4.811 99 HG22 THR 16 1HG2 THR 16 6.384 0.360 6.027 100 HG23 THR 16 2HG2 THR 16 5.789 -1.312 6.161 101 H CYS 17 H CYS 17 4.847 -3.830 4.159 102 HA CYS 17 HA CYS 17 3.495 -2.501 1.856 103 HG CYS 17 HG CYS 17 5.760 -4.930 1.790 104 HB2 CYS 17 1HB CYS 17 3.368 -5.406 2.747 105 HB3 CYS 17 2HB CYS 17 2.467 -4.696 1.401 106 H LEU 18 H LEU 18 1.950 -1.220 2.696 107 HA LEU 18 HA LEU 18 0.310 -2.098 5.054 108 HG LEU 18 HG LEU 18 0.944 -0.483 7.086 109 HB2 LEU 18 1HB LEU 18 1.651 0.487 4.298 110 HB3 LEU 18 2HB LEU 18 0.128 0.570 5.145 111 HD11 LEU 18 1HD1 LEU 18 3.410 -1.176 5.491 112 HD12 LEU 18 2HD1 LEU 18 2.349 -2.253 6.422 113 HD13 LEU 18 3HD1 LEU 18 3.413 -1.137 7.273 114 HD21 LEU 18 3HD2 LEU 18 3.102 1.405 6.054 115 HD22 LEU 18 1HD2 LEU 18 2.708 1.071 7.756 116 HD23 LEU 18 2HD2 LEU 18 1.533 1.906 6.728 117 H GLU 19 H GLU 19 -1.747 -1.622 5.200 118 HA GLU 19 HA GLU 19 -3.306 -0.997 2.743 119 HB2 GLU 19 1HB GLU 19 -5.096 -2.148 3.778 120 HB3 GLU 19 2HB GLU 19 -3.695 -3.166 3.961 121 HG2 GLU 19 1HG GLU 19 -4.858 -1.419 6.160 122 HG3 GLU 19 2HG GLU 19 -5.240 -3.105 5.908 123 H ASN 20 H ASN 20 -2.068 0.715 5.273 124 HA ASN 20 HA ASN 20 -4.302 2.699 5.326 125 HB2 ASN 20 1HB ASN 20 -2.889 1.420 7.716 126 HB3 ASN 20 2HB ASN 20 -3.789 2.919 7.847 127 HD21 ASN 20 1HD2 ASN 20 -4.144 -0.093 8.762 128 HD22 ASN 20 2HD2 ASN 20 -5.872 -0.283 8.501 129 H GLY 21 H GLY 21 -3.715 4.797 6.052 130 HA2 GLY 21 1HA GLY 21 -2.288 6.521 6.721 131 HA3 GLY 21 2HA GLY 21 -0.880 5.515 6.423 132 H SER 22 H SER 22 -0.329 7.756 5.708 133 HA SER 22 HA SER 22 -0.309 7.966 2.755 134 HG SER 22 HG SER 22 -2.864 8.976 3.827 135 HB2 SER 22 1HB SER 22 -1.141 10.218 4.642 136 HB3 SER 22 2HB SER 22 -0.587 10.469 2.984 137 H PHE 23 H PHE 23 1.817 8.093 2.233 138 HA PHE 23 HA PHE 23 3.792 8.439 4.272 139 HD1 PHE 23 HD1 PHE 23 5.827 8.024 4.648 140 HD2 PHE 23 HD2 PHE 23 6.154 7.125 0.442 141 HE1 PHE 23 HE1 PHE 23 8.248 7.618 4.911 142 HE2 PHE 23 HE2 PHE 23 8.589 6.758 0.709 143 HZ PHE 23 HZ PHE 23 9.656 7.091 2.945 144 HB2 PHE 23 1HB PHE 23 3.852 6.841 2.398 145 HB3 PHE 23 2HB PHE 23 4.138 8.150 1.278 146 H LEU 24 H LEU 24 3.319 10.559 5.012 147 HA LEU 24 HA LEU 24 3.559 12.918 3.629 148 HG LEU 24 HG LEU 24 2.224 11.614 6.415 149 HB2 LEU 24 1HB LEU 24 4.488 12.462 6.489 150 HB3 LEU 24 2HB LEU 24 4.007 13.994 5.775 151 HD11 LEU 24 1HD1 LEU 24 2.225 14.491 7.406 152 HD12 LEU 24 2HD1 LEU 24 2.849 13.084 8.296 153 HD13 LEU 24 3HD1 LEU 24 1.122 13.195 7.920 154 HD21 LEU 24 3HD2 LEU 24 0.318 13.029 5.649 155 HD22 LEU 24 1HD2 LEU 24 1.364 12.531 4.324 156 HD23 LEU 24 2HD2 LEU 24 1.479 14.190 4.967 157 H LEU 25 H LEU 25 6.271 10.949 4.639 158 HA LEU 25 HA LEU 25 8.329 12.959 4.253 159 HG LEU 25 HG LEU 25 8.082 11.377 6.608 160 HB2 LEU 25 1HB LEU 25 8.280 9.955 4.523 161 HB3 LEU 25 2HB LEU 25 9.784 10.761 4.143 162 HD11 LEU 25 1HD1 LEU 25 8.958 9.086 6.698 163 HD12 LEU 25 2HD1 LEU 25 9.800 10.120 7.859 164 HD13 LEU 25 3HD1 LEU 25 10.596 9.676 6.331 165 HD21 LEU 25 3HD2 LEU 25 10.164 12.451 7.448 166 HD22 LEU 25 1HD2 LEU 25 9.555 13.265 6.008 167 HD23 LEU 25 2HD2 LEU 25 10.942 12.161 5.878 168 H ASN 26 H ASN 26 6.517 11.042 1.974 169 HA ASN 26 HA ASN 26 8.465 11.719 -0.207 170 HB2 ASN 26 1HB ASN 26 7.716 9.353 -0.003 171 HB3 ASN 26 2HB ASN 26 6.060 9.855 -0.278 172 HD21 ASN 26 1HD2 ASN 26 5.885 8.672 -2.308 173 HD22 ASN 26 2HD2 ASN 26 6.791 9.209 -3.730 174 H PHE 27 H PHE 27 5.176 12.244 1.008 175 HA PHE 27 HA PHE 27 4.258 13.777 -1.261 176 HD1 PHE 27 HD1 PHE 27 2.113 14.318 -1.915 177 HD2 PHE 27 HD2 PHE 27 1.959 15.730 2.143 178 HE1 PHE 27 HE1 PHE 27 0.330 15.962 -2.569 179 HE2 PHE 27 HE2 PHE 27 0.201 17.374 1.487 180 HZ PHE 27 HZ PHE 27 -0.632 17.451 -0.841 181 HB2 PHE 27 1HB PHE 27 2.725 12.852 0.416 182 HB3 PHE 27 2HB PHE 27 3.373 13.931 1.637 183 H THR 28 H THR 28 5.279 15.524 -1.983 184 HA THR 28 HA THR 28 6.757 17.349 -0.144 185 HB THR 28 HB THR 28 7.505 18.431 -2.302 186 HG1 THR 28 HG1 THR 28 5.928 17.749 -3.735 187 HG21 THR 28 3HG2 THR 28 8.021 15.451 -2.002 188 HG22 THR 28 1HG2 THR 28 8.885 16.750 -1.155 189 HG23 THR 28 2HG2 THR 28 9.025 16.593 -2.915 190 H GLY 29 H GLY 29 3.637 17.078 -0.940 191 HA2 GLY 29 1HA GLY 29 1.953 18.634 -0.384 192 HA3 GLY 29 2HA GLY 29 3.019 19.988 -0.700 193 H CYS 30 H CYS 30 0.370 19.455 -1.770 194 HA CYS 30 HA CYS 30 0.227 18.370 -4.294 195 HB2 CYS 30 1HB CYS 30 -1.603 19.251 -2.671 196 HB3 CYS 30 2HB CYS 30 -1.340 20.812 -3.398 197 H ALA 31 H ALA 31 -0.379 19.452 -6.249 198 HA ALA 31 HA ALA 31 1.160 21.941 -6.812 199 HB1 ALA 31 3HB ALA 31 2.171 21.223 -8.731 200 HB2 ALA 31 1HB ALA 31 2.273 19.756 -7.713 201 HB3 ALA 31 2HB ALA 31 1.026 19.915 -8.993 202 H VAL 32 H VAL 32 -1.893 20.367 -6.937 203 HA VAL 32 HA VAL 32 -2.943 22.073 -9.063 204 HB VAL 32 HB VAL 32 -4.274 20.277 -6.999 205 HG11 VAL 32 1HG1 VAL 32 -5.838 22.148 -7.289 206 HG12 VAL 32 2HG1 VAL 32 -5.738 21.980 -9.058 207 HG13 VAL 32 3HG1 VAL 32 -6.449 20.684 -8.056 208 HG21 VAL 32 3HG2 VAL 32 -5.055 19.037 -8.967 209 HG22 VAL 32 1HG2 VAL 32 -4.268 20.214 -10.050 210 HG23 VAL 32 2HG2 VAL 32 -3.297 19.176 -8.986 211 H CYS 33 H CYS 33 -2.652 22.161 -5.532 212 HA CYS 33 HA CYS 33 -3.488 25.024 -5.516 213 HB2 CYS 33 1HB CYS 33 -4.573 24.621 -3.429 214 HB3 CYS 33 2HB CYS 33 -5.215 23.490 -4.632 215 H SER 34 H SER 34 -1.001 22.831 -4.560 216 HA SER 34 HA SER 34 1.068 23.204 -3.698 217 HG SER 34 HG SER 34 2.705 26.193 -3.760 218 HB2 SER 34 1HB SER 34 0.695 25.568 -4.663 219 HB3 SER 34 2HB SER 34 0.549 26.055 -2.965 220 H LYS 35 H LYS 35 -1.369 22.507 -1.874 221 HA LYS 35 HA LYS 35 -0.374 23.360 0.809 222 HB2 LYS 35 1HB LYS 35 -2.774 21.840 -0.221 223 HB3 LYS 35 2HB LYS 35 -2.334 21.796 1.473 224 HG2 LYS 35 1HG LYS 35 -2.219 24.570 0.584 225 HG3 LYS 35 2HG LYS 35 -3.755 23.863 0.081 226 HD2 LYS 35 1HD LYS 35 -4.294 23.203 2.328 227 HD3 LYS 35 2HD LYS 35 -2.652 23.559 2.885 228 HE2 LYS 35 1HE LYS 35 -4.249 25.270 3.639 229 HE3 LYS 35 2HE LYS 35 -2.969 25.938 2.626 230 HZ1 LYS 35 3HZ LYS 35 -5.182 26.809 2.057 231 HZ2 LYS 35 1HZ LYS 35 -5.716 25.324 1.635 232 HZ3 LYS 35 2HZ LYS 35 -4.518 26.042 0.783 233 H ARG 36 H ARG 36 0.491 22.071 2.361 234 HA ARG 36 HA ARG 36 1.255 19.257 1.675 235 HE ARG 36 HE ARG 36 5.370 17.189 2.224 236 HB2 ARG 36 1HB ARG 36 3.158 20.853 1.632 237 HB3 ARG 36 2HB ARG 36 2.928 21.095 3.374 238 HG2 ARG 36 1HG ARG 36 3.462 18.806 3.861 239 HG3 ARG 36 2HG ARG 36 3.220 18.310 2.171 240 HD2 ARG 36 1HD ARG 36 5.172 19.631 1.516 241 HD3 ARG 36 2HD ARG 36 5.466 20.041 3.218 242 HH11 ARG 36 1HH1 ARG 36 7.286 19.593 3.913 243 HH12 ARG 36 2HH1 ARG 36 8.399 18.388 4.499 244 HH21 ARG 36 1HH2 ARG 36 6.694 15.734 3.091 245 HH22 ARG 36 2HH2 ARG 36 8.089 16.249 4.003 246 H ASP 37 H ASP 37 1.490 17.841 3.603 247 HA ASP 37 HA ASP 37 0.449 16.703 5.219 248 HB2 ASP 37 1HB ASP 37 0.479 17.565 7.407 249 HB3 ASP 37 2HB ASP 37 1.946 17.971 6.542 250 H PHE 38 H PHE 38 -1.248 17.855 3.363 251 HA PHE 38 HA PHE 38 -3.907 17.914 4.710 252 HD1 PHE 38 HD1 PHE 38 -2.313 20.236 5.408 253 HD2 PHE 38 HD2 PHE 38 -5.843 20.832 3.012 254 HE1 PHE 38 HE1 PHE 38 -2.967 22.143 6.840 255 HE2 PHE 38 HE2 PHE 38 -6.487 22.758 4.428 256 HZ PHE 38 HZ PHE 38 -5.052 23.418 6.358 257 HB2 PHE 38 1HB PHE 38 -2.747 19.617 2.551 258 HB3 PHE 38 2HB PHE 38 -4.418 19.149 2.405 259 H MET 39 H MET 39 -4.474 15.821 4.515 260 HA MET 39 HA MET 39 -5.371 14.993 1.917 261 HB2 MET 39 1HB MET 39 -4.214 12.703 1.975 262 HB3 MET 39 2HB MET 39 -3.341 14.071 1.367 263 HG2 MET 39 1HG MET 39 -2.924 13.742 4.270 264 HG3 MET 39 2HG MET 39 -2.565 12.266 3.393 265 HE1 MET 39 3HE MET 39 -0.978 12.016 1.484 266 HE2 MET 39 1HE MET 39 -1.245 13.481 0.515 267 HE3 MET 39 2HE MET 39 0.378 13.095 1.119 268 H LEU 40 H LEU 40 -6.660 13.340 1.759 269 HA LEU 40 HA LEU 40 -7.954 12.007 4.097 270 HG LEU 40 HG LEU 40 -10.459 14.684 3.188 271 HB2 LEU 40 1HB LEU 40 -9.049 13.622 1.768 272 HB3 LEU 40 2HB LEU 40 -9.964 12.280 2.318 273 HD11 LEU 40 1HD1 LEU 40 -11.481 13.670 5.219 274 HD12 LEU 40 2HD1 LEU 40 -10.455 12.231 5.021 275 HD13 LEU 40 3HD1 LEU 40 -11.701 12.621 3.814 276 HD21 LEU 40 3HD2 LEU 40 -9.626 15.149 5.400 277 HD22 LEU 40 1HD2 LEU 40 -8.308 15.135 4.209 278 HD23 LEU 40 2HD2 LEU 40 -8.530 13.765 5.325 279 H ILE 41 H ILE 41 -9.174 10.066 3.346 280 HA ILE 41 HA ILE 41 -8.130 8.729 0.895 281 HB ILE 41 HB ILE 41 -8.388 7.630 3.712 282 HG12 ILE 41 1HG1 ILE 41 -6.028 7.561 1.769 283 HG13 ILE 41 2HG1 ILE 41 -6.233 8.769 3.035 284 HG21 ILE 41 1HG2 ILE 41 -9.412 5.946 2.248 285 HG22 ILE 41 2HG2 ILE 41 -8.066 6.070 1.100 286 HG23 ILE 41 3HG2 ILE 41 -7.828 5.361 2.706 287 HD11 ILE 41 3HD1 ILE 41 -5.777 5.799 3.467 288 HD12 ILE 41 1HD1 ILE 41 -4.709 7.150 3.868 289 HD13 ILE 41 2HD1 ILE 41 -6.226 6.944 4.757 290 H THR 42 H THR 42 -9.727 7.834 -0.298 291 HA THR 42 HA THR 42 -12.368 7.297 0.882 292 HB THR 42 HB THR 42 -12.199 9.778 0.038 293 HG1 THR 42 HG1 THR 42 -14.399 9.607 -0.371 294 HG21 THR 42 3HG2 THR 42 -11.518 8.852 -2.371 295 HG22 THR 42 1HG2 THR 42 -12.630 10.230 -2.196 296 HG23 THR 42 2HG2 THR 42 -13.261 8.612 -2.540 297 H ASN 43 H ASN 43 -13.885 6.449 -0.853 298 HA ASN 43 HA ASN 43 -14.485 4.748 -2.153 299 HB2 ASN 43 1HB ASN 43 -14.226 5.277 -4.275 300 HB3 ASN 43 2HB ASN 43 -13.204 6.593 -3.712 301 HD21 ASN 43 1HD2 ASN 43 -10.776 5.652 -3.281 302 HD22 ASN 43 2HD2 ASN 43 -10.142 4.924 -4.763 303 H LYS 44 H LYS 44 -12.294 4.215 -0.166 304 HA LYS 44 HA LYS 44 -10.575 2.169 -0.866 305 HB2 LYS 44 1HB LYS 44 -10.764 3.495 1.301 306 HB3 LYS 44 2HB LYS 44 -12.036 2.347 1.779 307 HG2 LYS 44 1HG LYS 44 -10.510 0.467 1.707 308 HG3 LYS 44 2HG LYS 44 -9.253 1.449 0.966 309 HD2 LYS 44 1HD LYS 44 -9.250 2.896 3.049 310 HD3 LYS 44 2HD LYS 44 -10.280 1.655 3.808 311 HE2 LYS 44 1HE LYS 44 -8.536 -0.054 3.359 312 HE3 LYS 44 2HE LYS 44 -7.556 1.157 2.520 313 HZ1 LYS 44 3HZ LYS 44 -7.485 2.404 4.658 314 HZ2 LYS 44 1HZ LYS 44 -6.724 0.974 4.714 315 HZ3 LYS 44 2HZ LYS 44 -8.197 1.143 5.416 316 H SER 45 H SER 45 -10.880 0.385 -1.814 317 HA SER 45 HA SER 45 -13.264 -1.308 -1.237 318 HG SER 45 HG SER 45 -13.101 0.452 -3.534 319 HB2 SER 45 1HB SER 45 -11.426 -1.114 -3.671 320 HB3 SER 45 2HB SER 45 -12.654 -2.369 -3.465 321 H LEU 46 H LEU 46 -13.019 -3.552 -1.165 322 HA LEU 46 HA LEU 46 -10.351 -4.651 -0.605 323 HG LEU 46 HG LEU 46 -10.430 -6.649 1.076 324 HB2 LEU 46 1HB LEU 46 -11.033 -4.027 1.561 325 HB3 LEU 46 2HB LEU 46 -12.667 -4.630 1.350 326 HD11 LEU 46 1HD1 LEU 46 -10.249 -6.947 3.505 327 HD12 LEU 46 2HD1 LEU 46 -11.326 -5.554 3.777 328 HD13 LEU 46 3HD1 LEU 46 -9.723 -5.323 3.046 329 HD21 LEU 46 3HD2 LEU 46 -11.978 -8.102 2.312 330 HD22 LEU 46 1HD2 LEU 46 -12.768 -7.426 0.893 331 HD23 LEU 46 2HD2 LEU 46 -13.120 -6.756 2.499 332 H LYS 47 H LYS 47 -10.099 -6.697 -1.237 333 HA LYS 47 HA LYS 47 -12.398 -8.264 -2.279 334 HB2 LYS 47 1HB LYS 47 -10.579 -6.943 -3.931 335 HB3 LYS 47 2HB LYS 47 -9.817 -8.503 -3.712 336 HG2 LYS 47 1HG LYS 47 -11.956 -9.617 -4.381 337 HG3 LYS 47 2HG LYS 47 -12.575 -8.009 -4.830 338 HD2 LYS 47 1HD LYS 47 -10.649 -7.772 -6.427 339 HD3 LYS 47 2HD LYS 47 -10.104 -9.399 -5.962 340 HE2 LYS 47 1HE LYS 47 -12.417 -10.240 -6.666 341 HE3 LYS 47 2HE LYS 47 -12.699 -8.640 -7.366 342 HZ1 LYS 47 3HZ LYS 47 -10.535 -10.543 -8.104 343 HZ2 LYS 47 1HZ LYS 47 -10.679 -9.032 -8.745 344 HZ3 LYS 47 2HZ LYS 47 -11.827 -10.162 -9.032 345 H GLU 48 H GLU 48 -12.156 -10.503 -2.191 346 HA GLU 48 HA GLU 48 -9.642 -11.557 -0.976 347 HB2 GLU 48 1HB GLU 48 -12.403 -12.158 0.136 348 HB3 GLU 48 2HB GLU 48 -10.895 -12.928 0.636 349 HG2 GLU 48 1HG GLU 48 -10.059 -10.734 1.454 350 HG3 GLU 48 2HG GLU 48 -11.593 -9.994 1.005 351 H GLU 49 H GLU 49 -8.943 -13.070 -2.325 352 HA GLU 49 HA GLU 49 -10.859 -15.003 -3.556 353 HB2 GLU 49 1HB GLU 49 -8.372 -13.849 -4.851 354 HB3 GLU 49 2HB GLU 49 -9.282 -15.263 -5.419 355 HG2 GLU 49 1HG GLU 49 -11.330 -13.842 -5.624 356 HG3 GLU 49 2HG GLU 49 -10.394 -12.432 -5.121 357 H ASP 50 H ASP 50 -10.617 -16.985 -2.856 358 HA ASP 50 HA ASP 50 -9.769 -18.852 -1.843 359 HB2 ASP 50 1HB ASP 50 -9.124 -18.701 -4.334 360 HB3 ASP 50 2HB ASP 50 -7.495 -18.315 -3.790 361 H GLY 51 H GLY 51 -8.652 -16.440 -0.442 362 HA2 GLY 51 1HA GLY 51 -7.517 -16.804 1.767 363 HA3 GLY 51 2HA GLY 51 -6.231 -17.655 0.904 364 H GLU 52 H GLU 52 -6.589 -15.519 -1.335 365 HA GLU 52 HA GLU 52 -4.586 -13.633 -0.358 366 HB2 GLU 52 1HB GLU 52 -4.495 -14.462 -2.679 367 HB3 GLU 52 2HB GLU 52 -6.136 -13.848 -2.968 368 HG2 GLU 52 1HG GLU 52 -5.298 -11.508 -2.620 369 HG3 GLU 52 2HG GLU 52 -3.682 -12.143 -2.476 370 H GLU 53 H GLU 53 -4.933 -11.554 0.247 371 HA GLU 53 HA GLU 53 -7.721 -10.466 0.277 372 HB2 GLU 53 1HB GLU 53 -5.506 -10.017 2.323 373 HB3 GLU 53 2HB GLU 53 -7.082 -9.218 2.295 374 HG2 GLU 53 1HG GLU 53 -8.185 -11.455 2.574 375 HG3 GLU 53 2HG GLU 53 -6.593 -12.202 2.692 376 H ILE 54 H ILE 54 -7.963 -8.562 -0.805 377 HA ILE 54 HA ILE 54 -5.490 -7.067 -1.554 378 HB ILE 54 HB ILE 54 -7.984 -7.386 -3.272 379 HG12 ILE 54 1HG1 ILE 54 -6.034 -8.580 -4.750 380 HG13 ILE 54 2HG1 ILE 54 -5.419 -8.999 -3.159 381 HG21 ILE 54 1HG2 ILE 54 -5.272 -6.127 -3.654 382 HG22 ILE 54 2HG2 ILE 54 -6.436 -6.383 -4.984 383 HG23 ILE 54 3HG2 ILE 54 -6.858 -5.319 -3.646 384 HD11 ILE 54 3HD1 ILE 54 -6.823 -10.791 -4.102 385 HD12 ILE 54 1HD1 ILE 54 -7.651 -10.127 -2.683 386 HD13 ILE 54 2HD1 ILE 54 -8.156 -9.688 -4.334 387 H VAL 55 H VAL 55 -5.558 -4.884 -1.331 388 HA VAL 55 HA VAL 55 -8.120 -3.551 -0.549 389 HB VAL 55 HB VAL 55 -5.397 -3.072 0.736 390 HG11 VAL 55 1HG1 VAL 55 -6.780 -1.054 0.624 391 HG12 VAL 55 2HG1 VAL 55 -8.146 -1.924 1.375 392 HG13 VAL 55 3HG1 VAL 55 -6.634 -1.637 2.282 393 HG21 VAL 55 3HG2 VAL 55 -7.854 -4.495 1.828 394 HG22 VAL 55 1HG2 VAL 55 -6.235 -5.190 1.567 395 HG23 VAL 55 2HG2 VAL 55 -6.470 -3.967 2.819 396 H THR 56 H THR 56 -8.528 -2.031 -2.022 397 HA THR 56 HA THR 56 -6.235 -0.504 -3.185 398 HB THR 56 HB THR 56 -7.271 -0.358 -5.307 399 HG1 THR 56 HG1 THR 56 -9.118 -1.583 -5.778 400 HG21 THR 56 3HG2 THR 56 -6.907 -2.608 -6.081 401 HG22 THR 56 1HG2 THR 56 -7.314 -3.304 -4.502 402 HG23 THR 56 2HG2 THR 56 -5.816 -2.377 -4.704 403 H TYR 57 H TYR 57 -6.325 1.677 -3.174 404 HA TYR 57 HA TYR 57 -8.883 3.060 -2.840 405 HD1 TYR 57 HD1 TYR 57 -6.575 1.132 0.102 406 HD2 TYR 57 HD2 TYR 57 -6.293 5.410 -0.334 407 HE1 TYR 57 HE1 TYR 57 -4.610 1.168 1.640 408 HE2 TYR 57 HE2 TYR 57 -4.332 5.441 1.181 409 HH TYR 57 HH TYR 57 -2.967 4.220 2.540 410 HB2 TYR 57 1HB TYR 57 -8.438 4.156 -0.779 411 HB3 TYR 57 2HB TYR 57 -8.477 2.449 -0.603 412 H ASP 58 H ASP 58 -8.144 5.536 -2.106 413 HA ASP 58 HA ASP 58 -6.026 6.498 -3.978 414 HB2 ASP 58 1HB ASP 58 -8.980 7.348 -3.809 415 HB3 ASP 58 2HB ASP 58 -7.734 8.288 -4.607 416 H HIS 59 H HIS 59 -5.399 8.678 -3.443 417 HA HIS 59 HA HIS 59 -6.043 9.606 -0.661 418 HD1 HIS 59 HD1 HIS 59 -3.119 8.973 1.277 419 HD2 HIS 59 HD2 HIS 59 -2.772 7.617 -2.691 420 HE1 HIS 59 HE1 HIS 59 -1.653 6.916 1.341 421 HB2 HIS 59 1HB HIS 59 -3.537 10.204 -2.271 422 HB3 HIS 59 2HB HIS 59 -3.876 10.678 -0.622 423 H LEU 60 H LEU 60 -6.633 11.775 -0.428 424 HA LEU 60 HA LEU 60 -6.998 13.417 -2.903 425 HG LEU 60 HG LEU 60 -9.029 12.412 -3.740 426 HB2 LEU 60 1HB LEU 60 -9.058 12.850 -0.727 427 HB3 LEU 60 2HB LEU 60 -9.149 14.189 -1.859 428 HD11 LEU 60 1HD1 LEU 60 -10.087 10.699 -1.432 429 HD12 LEU 60 2HD1 LEU 60 -8.555 10.407 -2.267 430 HD13 LEU 60 3HD1 LEU 60 -10.048 10.261 -3.167 431 HD21 LEU 60 3HD2 LEU 60 -11.468 12.140 -3.653 432 HD22 LEU 60 1HD2 LEU 60 -11.006 13.781 -3.199 433 HD23 LEU 60 2HD2 LEU 60 -11.480 12.626 -1.938 434 H CYS 61 H CYS 61 -6.465 15.503 -2.700 435 HA CYS 61 HA CYS 61 -5.080 16.547 -0.450 436 HB2 CYS 61 1HB CYS 61 -5.025 17.147 -2.949 437 HB3 CYS 61 2HB CYS 61 -6.516 18.043 -2.690 438 H LYS 62 H LYS 62 -5.832 17.276 1.478 439 HA LYS 62 HA LYS 62 -8.652 17.456 2.089 440 HB2 LYS 62 1HB LYS 62 -7.132 16.922 3.838 441 HB3 LYS 62 2HB LYS 62 -6.107 18.292 3.498 442 HG2 LYS 62 1HG LYS 62 -7.163 18.664 5.574 443 HG3 LYS 62 2HG LYS 62 -7.763 19.848 4.426 444 HD2 LYS 62 1HD LYS 62 -9.827 18.396 4.127 445 HD3 LYS 62 2HD LYS 62 -9.183 17.344 5.405 446 HE2 LYS 62 1HE LYS 62 -9.126 19.281 6.966 447 HE3 LYS 62 2HE LYS 62 -9.789 20.319 5.698 448 HZ1 LYS 62 3HZ LYS 62 -11.182 17.969 6.876 449 HZ2 LYS 62 1HZ LYS 62 -11.800 18.938 5.709 450 HZ3 LYS 62 2HZ LYS 62 -11.524 19.528 7.203 451 H ASN 63 H ASN 63 -6.685 19.645 0.353 452 HA ASN 63 HA ASN 63 -8.245 22.048 1.112 453 HB2 ASN 63 1HB ASN 63 -5.829 22.227 1.124 454 HB3 ASN 63 2HB ASN 63 -5.717 21.686 -0.539 455 HD21 ASN 63 1HD2 ASN 63 -5.531 23.323 -2.021 456 HD22 ASN 63 2HD2 ASN 63 -6.188 24.944 -1.764 457 H CYS 64 H CYS 64 -7.074 20.674 -2.066 458 HA CYS 64 HA CYS 64 -9.481 21.797 -3.330 459 HB2 CYS 64 1HB CYS 64 -8.244 21.418 -5.417 460 HB3 CYS 64 2HB CYS 64 -7.409 22.468 -4.280 461 H HIS 65 H HIS 65 -8.742 18.801 -2.032 462 HA HIS 65 HA HIS 65 -9.409 16.667 -2.322 463 HD1 HIS 65 HD1 HIS 65 -12.048 19.680 -1.063 464 HD2 HIS 65 HD2 HIS 65 -11.007 15.684 -0.141 465 HE1 HIS 65 HE1 HIS 65 -12.019 19.509 1.508 466 HE2 HIS 65 HE2 HIS 65 -11.450 17.056 2.056 467 HB2 HIS 65 1HB HIS 65 -11.988 17.989 -3.155 468 HB3 HIS 65 2HB HIS 65 -11.803 16.286 -2.735 469 H HIS 66 H HIS 66 -8.058 17.857 -4.610 470 HA HIS 66 HA HIS 66 -8.729 16.287 -6.965 471 HD1 HIS 66 HD1 HIS 66 -5.873 16.036 -9.093 472 HD2 HIS 66 HD2 HIS 66 -4.419 17.395 -5.376 473 HE1 HIS 66 HE1 HIS 66 -3.356 15.921 -9.215 474 HB2 HIS 66 1HB HIS 66 -7.343 17.900 -7.635 475 HB3 HIS 66 2HB HIS 66 -6.708 18.159 -6.023 476 H VAL 67 H VAL 67 -7.790 14.186 -7.482 477 HA VAL 67 HA VAL 67 -6.974 12.575 -5.193 478 HB VAL 67 HB VAL 67 -7.153 11.865 -8.151 479 HG11 VAL 67 1HG1 VAL 67 -5.599 10.338 -7.050 480 HG12 VAL 67 2HG1 VAL 67 -6.709 10.143 -5.674 481 HG13 VAL 67 3HG1 VAL 67 -7.148 9.519 -7.268 482 HG21 VAL 67 3HG2 VAL 67 -9.364 12.389 -7.124 483 HG22 VAL 67 1HG2 VAL 67 -9.206 10.669 -7.491 484 HG23 VAL 67 2HG2 VAL 67 -9.021 11.231 -5.818 485 H ILE 68 H ILE 68 -5.101 12.917 -4.355 486 HA ILE 68 HA ILE 68 -2.750 13.975 -5.585 487 HB ILE 68 HB ILE 68 -3.335 12.524 -3.001 488 HG12 ILE 68 1HG1 ILE 68 -2.572 15.388 -3.738 489 HG13 ILE 68 2HG1 ILE 68 -4.205 14.831 -3.414 490 HG21 ILE 68 1HG2 ILE 68 -0.968 11.948 -3.546 491 HG22 ILE 68 2HG2 ILE 68 -0.627 13.672 -3.793 492 HG23 ILE 68 3HG2 ILE 68 -1.060 13.045 -2.195 493 HD11 ILE 68 3HD1 ILE 68 -3.608 14.293 -1.104 494 HD12 ILE 68 1HD1 ILE 68 -1.933 14.853 -1.397 495 HD13 ILE 68 2HD1 ILE 68 -3.260 15.996 -1.513 496 H ALA 69 H ALA 69 -3.709 10.624 -4.761 497 HA ALA 69 HA ALA 69 -1.971 9.419 -6.783 498 HB1 ALA 69 3HB ALA 69 -0.651 8.181 -4.966 499 HB2 ALA 69 1HB ALA 69 -0.324 9.925 -5.049 500 HB3 ALA 69 2HB ALA 69 -1.375 9.279 -3.781 501 H ARG 70 H ARG 70 -2.029 6.996 -6.624 502 HA ARG 70 HA ARG 70 -4.563 5.889 -5.469 503 HE ARG 70 HE ARG 70 -7.365 7.374 -8.169 504 HB2 ARG 70 1HB ARG 70 -3.220 5.391 -8.153 505 HB3 ARG 70 2HB ARG 70 -4.112 4.118 -7.326 506 HG2 ARG 70 1HG ARG 70 -5.703 4.994 -8.737 507 HG3 ARG 70 2HG ARG 70 -6.081 5.662 -7.151 508 HD2 ARG 70 1HD ARG 70 -4.881 7.788 -7.867 509 HD3 ARG 70 2HD ARG 70 -4.681 7.065 -9.474 510 HH11 ARG 70 1HH1 ARG 70 -5.398 8.230 -10.961 511 HH12 ARG 70 2HH1 ARG 70 -6.759 8.938 -11.787 512 HH21 ARG 70 1HH2 ARG 70 -8.987 8.226 -9.249 513 HH22 ARG 70 2HH2 ARG 70 -8.772 8.939 -10.830 514 H HIS 71 H HIS 71 -4.417 4.068 -4.373 515 HA HIS 71 HA HIS 71 -1.713 2.912 -3.752 516 HD2 HIS 71 HD2 HIS 71 -2.713 0.527 -1.090 517 HE1 HIS 71 HE1 HIS 71 0.305 2.689 1.003 518 HE2 HIS 71 HE2 HIS 71 -0.864 0.433 0.777 519 HB2 HIS 71 1HB HIS 71 -2.945 4.401 -2.034 520 HB3 HIS 71 2HB HIS 71 -4.094 3.091 -1.873 521 H GLU 72 H GLU 72 -1.521 0.731 -3.755 522 HA GLU 72 HA GLU 72 -3.924 -1.003 -3.567 523 HB2 GLU 72 1HB GLU 72 -3.616 -0.927 -5.914 524 HB3 GLU 72 2HB GLU 72 -1.855 -1.018 -5.795 525 HG2 GLU 72 1HG GLU 72 -1.907 -3.289 -5.065 526 HG3 GLU 72 2HG GLU 72 -3.661 -3.269 -4.836 527 H TYR 73 H TYR 73 -3.606 -2.559 -2.124 528 HA TYR 73 HA TYR 73 -0.858 -3.542 -1.530 529 HD1 TYR 73 HD1 TYR 73 0.290 -4.513 0.751 530 HD2 TYR 73 HD2 TYR 73 -3.868 -4.135 1.845 531 HE1 TYR 73 HE1 TYR 73 0.559 -6.344 2.382 532 HE2 TYR 73 HE2 TYR 73 -3.583 -5.938 3.512 533 HH TYR 73 HH TYR 73 -2.125 -7.366 4.546 534 HB2 TYR 73 1HB TYR 73 -1.296 -2.253 0.380 535 HB3 TYR 73 2HB TYR 73 -3.008 -2.611 0.364 536 H THR 74 H THR 74 -0.773 -5.683 -1.876 537 HA THR 74 HA THR 74 -3.315 -7.283 -1.719 538 HB THR 74 HB THR 74 -3.062 -8.336 -3.678 539 HG1 THR 74 HG1 THR 74 -1.145 -8.508 -4.844 540 HG21 THR 74 3HG2 THR 74 -1.553 -5.854 -4.585 541 HG22 THR 74 1HG2 THR 74 -3.267 -5.789 -4.181 542 HG23 THR 74 2HG2 THR 74 -2.719 -6.833 -5.498 543 H PHE 75 H PHE 75 -3.163 -9.110 -0.623 544 HA PHE 75 HA PHE 75 -0.456 -10.052 0.286 545 HD1 PHE 75 HD1 PHE 75 0.412 -10.663 2.828 546 HD2 PHE 75 HD2 PHE 75 -3.794 -11.603 2.752 547 HE1 PHE 75 HE1 PHE 75 0.836 -12.606 4.222 548 HE2 PHE 75 HE2 PHE 75 -3.356 -13.631 4.105 549 HZ PHE 75 HZ PHE 75 -1.023 -14.180 4.798 550 HB2 PHE 75 1HB PHE 75 -1.324 -8.963 2.127 551 HB3 PHE 75 2HB PHE 75 -2.968 -9.478 1.861 552 H SER 76 H SER 76 -0.134 -12.222 -0.125 553 HA SER 76 HA SER 76 -2.439 -14.047 -0.755 554 HG SER 76 HG SER 76 -1.372 -13.863 -4.023 555 HB2 SER 76 1HB SER 76 0.044 -13.420 -2.301 556 HB3 SER 76 2HB SER 76 -0.499 -15.094 -2.301 557 H ILE 77 H ILE 77 -2.311 -16.153 -0.061 558 HA ILE 77 HA ILE 77 0.139 -16.934 1.518 559 HB ILE 77 HB ILE 77 -2.677 -17.979 1.900 560 HG12 ILE 77 1HG1 ILE 77 -1.049 -15.854 3.256 561 HG13 ILE 77 2HG1 ILE 77 -2.734 -15.820 2.699 562 HG21 ILE 77 1HG2 ILE 77 -0.119 -18.513 3.475 563 HG22 ILE 77 2HG2 ILE 77 -1.720 -19.219 3.783 564 HG23 ILE 77 3HG2 ILE 77 -0.844 -19.658 2.322 565 HD11 ILE 77 3HD1 ILE 77 -3.298 -17.417 4.579 566 HD12 ILE 77 1HD1 ILE 77 -1.622 -17.188 5.172 567 HD13 ILE 77 2HD1 ILE 77 -2.733 -15.814 5.097 568 H MET 78 H MET 78 1.402 -18.409 0.661 569 HA MET 78 HA MET 78 0.259 -20.369 -1.268 570 HB2 MET 78 1HB MET 78 2.507 -20.373 -2.392 571 HB3 MET 78 2HB MET 78 1.504 -18.947 -2.653 572 HG2 MET 78 1HG MET 78 2.854 -17.572 -1.306 573 HG3 MET 78 2HG MET 78 3.626 -18.928 -0.495 574 HE1 MET 78 3HE MET 78 3.153 -17.482 -4.152 575 HE2 MET 78 1HE MET 78 4.633 -18.079 -4.941 576 HE3 MET 78 2HE MET 78 3.371 -19.223 -4.450 577 H ASP 79 H ASP 79 0.250 -22.313 -0.533 578 HA ASP 79 HA ASP 79 0.647 -24.233 0.583 579 HB2 ASP 79 1HB ASP 79 3.470 -23.516 -0.252 580 HB3 ASP 79 2HB ASP 79 2.973 -25.106 0.323 581 H GLU 80 H GLU 80 3.616 -22.586 1.667 582 HA GLU 80 HA GLU 80 2.899 -23.024 4.543 583 HB2 GLU 80 1HB GLU 80 5.681 -23.386 3.399 584 HB3 GLU 80 2HB GLU 80 5.156 -23.717 5.034 585 HG2 GLU 80 1HG GLU 80 4.447 -25.281 2.519 586 HG3 GLU 80 2HG GLU 80 5.585 -25.755 3.768 587 H PHE 81 H PHE 81 3.429 -20.656 2.301 588 HA PHE 81 HA PHE 81 4.888 -18.940 4.309 589 HD1 PHE 81 HD1 PHE 81 7.115 -20.646 3.717 590 HD2 PHE 81 HD2 PHE 81 5.809 -19.671 -0.252 591 HE1 PHE 81 HE1 PHE 81 8.389 -22.589 2.822 592 HE2 PHE 81 HE2 PHE 81 7.013 -21.618 -1.160 593 HZ PHE 81 HZ PHE 81 8.339 -23.091 0.384 594 HB2 PHE 81 1HB PHE 81 5.220 -18.259 1.409 595 HB3 PHE 81 2HB PHE 81 6.312 -18.116 2.725 596 H GLN 82 H GLN 82 4.621 -16.618 3.739 597 HA GLN 82 HA GLN 82 1.929 -15.930 2.600 598 HB2 GLN 82 1HB GLN 82 3.173 -14.197 4.680 599 HB3 GLN 82 2HB GLN 82 1.476 -14.498 4.263 600 HG2 GLN 82 1HG GLN 82 1.665 -16.726 5.372 601 HG3 GLN 82 2HG GLN 82 3.244 -16.155 6.000 602 HE21 GLN 82 1HE2 GLN 82 3.204 -14.097 7.308 603 HE22 GLN 82 2HE2 GLN 82 1.755 -13.768 8.241 604 H GLU 83 H GLU 83 1.853 -14.143 1.343 605 HA GLU 83 HA GLU 83 4.415 -12.814 0.549 606 HB2 GLU 83 1HB GLU 83 2.098 -13.902 -1.088 607 HB3 GLU 83 2HB GLU 83 2.980 -12.504 -1.667 608 HG2 GLU 83 1HG GLU 83 5.082 -13.743 -1.592 609 HG3 GLU 83 2HG GLU 83 4.206 -15.214 -1.104 610 H TYR 84 H TYR 84 4.406 -10.712 0.650 611 HA TYR 84 HA TYR 84 1.838 -9.173 0.944 612 HD1 TYR 84 HD1 TYR 84 4.393 -10.932 3.418 613 HD2 TYR 84 HD2 TYR 84 1.292 -7.939 3.632 614 HE1 TYR 84 HE1 TYR 84 3.419 -12.093 5.405 615 HE2 TYR 84 HE2 TYR 84 0.401 -9.006 5.684 616 HH TYR 84 HH TYR 84 0.621 -10.719 7.197 617 HB2 TYR 84 1HB TYR 84 4.579 -8.721 2.168 618 HB3 TYR 84 2HB TYR 84 3.257 -7.576 2.225 619 H THR 85 H THR 85 1.568 -7.625 -0.642 620 HA THR 85 HA THR 85 4.007 -6.444 -1.849 621 HB THR 85 HB THR 85 3.576 -6.844 -4.021 622 HG1 THR 85 HG1 THR 85 0.884 -7.617 -3.538 623 HG21 THR 85 3HG2 THR 85 3.944 -9.113 -3.030 624 HG22 THR 85 1HG2 THR 85 2.938 -9.164 -4.480 625 HG23 THR 85 2HG2 THR 85 2.190 -9.325 -2.875 626 H MET 86 H MET 86 3.793 -4.348 -2.363 627 HA MET 86 HA MET 86 1.150 -2.966 -2.180 628 HB2 MET 86 1HB MET 86 2.110 -2.768 -0.018 629 HB3 MET 86 2HB MET 86 3.693 -2.280 -0.666 630 HG2 MET 86 1HG MET 86 2.581 -0.228 -1.576 631 HG3 MET 86 2HG MET 86 1.067 -0.758 -0.830 632 HE1 MET 86 3HE MET 86 4.862 -0.324 -0.071 633 HE2 MET 86 1HE MET 86 4.333 1.337 -0.372 634 HE3 MET 86 2HE MET 86 4.851 0.854 1.261 635 H LEU 87 H LEU 87 0.952 -1.265 -3.413 636 HA LEU 87 HA LEU 87 3.140 -0.163 -5.100 637 HG LEU 87 HG LEU 87 1.976 0.538 -7.429 638 HB2 LEU 87 1HB LEU 87 2.146 -2.216 -6.273 639 HB3 LEU 87 2HB LEU 87 0.610 -1.375 -6.272 640 HD11 LEU 87 1HD1 LEU 87 4.130 -0.648 -7.166 641 HD12 LEU 87 2HD1 LEU 87 3.767 -0.267 -8.861 642 HD13 LEU 87 3HD1 LEU 87 3.548 -1.926 -8.242 643 HD21 LEU 87 3HD2 LEU 87 1.412 -0.376 -9.645 644 HD22 LEU 87 1HD2 LEU 87 0.094 -0.629 -8.488 645 HD23 LEU 87 2HD2 LEU 87 1.160 -1.985 -8.919 646 H CYS 88 H CYS 88 2.857 1.894 -4.427 647 HA CYS 88 HA CYS 88 0.345 3.315 -5.030 648 HB2 CYS 88 1HB CYS 88 0.261 2.857 -2.622 649 HB3 CYS 88 2HB CYS 88 1.893 3.424 -2.427 650 H LEU 89 H LEU 89 0.715 5.274 -5.931 651 HA LEU 89 HA LEU 89 3.279 6.047 -6.957 652 HG LEU 89 HG LEU 89 2.343 9.229 -6.827 653 HB2 LEU 89 1HB LEU 89 1.264 6.684 -8.107 654 HB3 LEU 89 2HB LEU 89 0.607 7.458 -6.672 655 HD11 LEU 89 1HD1 LEU 89 3.009 8.030 -9.531 656 HD12 LEU 89 2HD1 LEU 89 4.054 7.938 -8.102 657 HD13 LEU 89 3HD1 LEU 89 3.654 9.522 -8.808 658 HD21 LEU 89 3HD2 LEU 89 0.732 8.853 -9.378 659 HD22 LEU 89 1HD2 LEU 89 1.496 10.361 -8.852 660 HD23 LEU 89 2HD2 LEU 89 0.177 9.667 -7.889 661 H LEU 90 H LEU 90 1.608 6.893 -3.965 662 HA LEU 90 HA LEU 90 3.680 8.912 -3.232 663 HG LEU 90 HG LEU 90 2.395 8.650 -0.174 664 HB2 LEU 90 1HB LEU 90 1.385 9.614 -2.908 665 HB3 LEU 90 2HB LEU 90 0.961 8.107 -2.123 666 HD11 LEU 90 1HD1 LEU 90 4.070 10.056 -1.397 667 HD12 LEU 90 2HD1 LEU 90 3.441 10.749 0.084 668 HD13 LEU 90 3HD1 LEU 90 2.847 11.352 -1.472 669 HD21 LEU 90 3HD2 LEU 90 0.055 9.314 -0.152 670 HD22 LEU 90 1HD2 LEU 90 0.460 10.871 -0.910 671 HD23 LEU 90 2HD2 LEU 90 1.063 10.479 0.724 672 H CYS 91 H CYS 91 1.913 6.226 -1.594 673 HA CYS 91 HA CYS 91 3.759 6.104 0.474 674 HB2 CYS 91 1HB CYS 91 1.705 4.089 -0.457 675 HB3 CYS 91 2HB CYS 91 2.488 4.024 1.113 676 H GLY 92 H GLY 92 3.670 4.195 -2.502 677 HA2 GLY 92 1HA GLY 92 6.041 3.792 -3.257 678 HA3 GLY 92 2HA GLY 92 6.320 3.031 -1.713 679 H LYS 93 H LYS 93 7.147 1.738 -3.740 680 HA LYS 93 HA LYS 93 5.234 -0.510 -4.138 681 HB2 LYS 93 1HB LYS 93 5.776 0.405 -6.260 682 HB3 LYS 93 2HB LYS 93 7.475 0.497 -5.886 683 HG2 LYS 93 1HG LYS 93 7.602 -2.024 -5.790 684 HG3 LYS 93 2HG LYS 93 5.878 -2.095 -6.140 685 HD2 LYS 93 1HD LYS 93 7.082 -2.553 -8.172 686 HD3 LYS 93 2HD LYS 93 6.296 -0.979 -8.350 687 HE2 LYS 93 1HE LYS 93 8.448 0.153 -7.804 688 HE3 LYS 93 2HE LYS 93 9.222 -1.428 -7.614 689 HZ1 LYS 93 3HZ LYS 93 9.618 -0.506 -9.827 690 HZ2 LYS 93 1HZ LYS 93 8.021 -0.414 -10.139 691 HZ3 LYS 93 2HZ LYS 93 8.739 -1.872 -9.962 692 H ALA 94 H ALA 94 5.598 -2.164 -2.908 693 HA ALA 94 HA ALA 94 8.346 -3.013 -2.316 694 HB1 ALA 94 3HB ALA 94 6.247 -2.399 -0.184 695 HB2 ALA 94 1HB ALA 94 7.850 -3.089 0.133 696 HB3 ALA 94 2HB ALA 94 7.707 -1.433 -0.489 697 H GLU 95 H GLU 95 8.552 -5.163 -1.389 698 HA GLU 95 HA GLU 95 6.195 -6.893 -1.337 699 HB2 GLU 95 1HB GLU 95 6.791 -6.940 -3.707 700 HB3 GLU 95 2HB GLU 95 8.482 -7.265 -3.303 701 HG2 GLU 95 1HG GLU 95 7.881 -9.480 -2.420 702 HG3 GLU 95 2HG GLU 95 6.176 -9.158 -2.720 703 H ASP 96 H ASP 96 6.411 -8.586 0.028 704 HA ASP 96 HA ASP 96 9.049 -9.381 1.073 705 HB2 ASP 96 1HB ASP 96 7.944 -7.573 2.588 706 HB3 ASP 96 2HB ASP 96 6.710 -8.766 2.928 707 H THR 97 H THR 97 9.048 -11.513 2.031 708 HA THR 97 HA THR 97 6.506 -13.006 1.903 709 HB THR 97 HB THR 97 8.971 -14.417 0.935 710 HG1 THR 97 HG1 THR 97 8.726 -12.675 -0.482 711 HG21 THR 97 3HG2 THR 97 6.912 -15.713 1.507 712 HG22 THR 97 1HG2 THR 97 7.299 -15.815 -0.226 713 HG23 THR 97 2HG2 THR 97 6.009 -14.730 0.345 714 H ILE 98 H ILE 98 6.182 -14.371 3.579 715 HA ILE 98 HA ILE 98 8.414 -14.764 5.555 716 HB ILE 98 HB ILE 98 5.486 -14.594 6.262 717 HG12 ILE 98 1HG1 ILE 98 7.474 -12.302 6.194 718 HG13 ILE 98 2HG1 ILE 98 5.965 -12.451 5.263 719 HG21 ILE 98 1HG2 ILE 98 7.061 -15.687 7.851 720 HG22 ILE 98 2HG2 ILE 98 7.996 -14.174 7.921 721 HG23 ILE 98 3HG2 ILE 98 6.326 -14.245 8.530 722 HD11 ILE 98 3HD1 ILE 98 4.693 -12.369 7.446 723 HD12 ILE 98 1HD1 ILE 98 6.228 -11.957 8.250 724 HD13 ILE 98 2HD1 ILE 98 5.563 -10.882 7.016 725 H SER 99 H SER 99 8.846 -16.850 6.013 726 HA SER 99 HA SER 99 7.030 -18.983 5.066 727 HG SER 99 HG SER 99 9.888 -19.149 7.382 728 HB2 SER 99 1HB SER 99 8.827 -20.518 5.880 729 HB3 SER 99 2HB SER 99 9.287 -19.393 4.595 730 H ILE 100 H ILE 100 5.676 -20.159 6.318 731 HA ILE 100 HA ILE 100 5.730 -19.764 9.264 732 HB ILE 100 HB ILE 100 3.275 -19.458 9.273 733 HG12 ILE 100 1HG1 ILE 100 2.206 -18.445 7.250 734 HG13 ILE 100 2HG1 ILE 100 3.535 -19.031 6.265 735 HG21 ILE 100 1HG2 ILE 100 4.771 -17.292 7.761 736 HG22 ILE 100 2HG2 ILE 100 3.354 -17.099 8.809 737 HG23 ILE 100 3HG2 ILE 100 4.906 -17.599 9.505 738 HD11 ILE 100 3HD1 ILE 100 1.525 -20.458 6.135 739 HD12 ILE 100 1HD1 ILE 100 2.873 -21.376 6.822 740 HD13 ILE 100 2HD1 ILE 100 1.594 -20.746 7.885 741 H LEU 101 H LEU 101 3.760 -21.140 10.170 742 HA LEU 101 HA LEU 101 3.966 -23.956 9.230 743 HG LEU 101 HG LEU 101 6.515 -22.921 10.549 744 HB2 LEU 101 1HB LEU 101 4.457 -22.684 11.958 745 HB3 LEU 101 2HB LEU 101 4.165 -24.406 11.806 746 HD11 LEU 101 1HD1 LEU 101 6.377 -24.790 12.950 747 HD12 LEU 101 2HD1 LEU 101 6.630 -23.032 13.008 748 HD13 LEU 101 3HD1 LEU 101 7.850 -24.072 12.258 749 HD21 LEU 101 3HD2 LEU 101 5.952 -24.927 9.234 750 HD22 LEU 101 1HD2 LEU 101 5.890 -25.907 10.719 751 HD23 LEU 101 2HD2 LEU 101 7.425 -25.204 10.161 752 HA PRO 102 HA PRO 102 -0.394 -24.124 9.991 753 HB2 PRO 102 1HB PRO 102 -0.833 -26.514 11.317 754 HB3 PRO 102 2HB PRO 102 -0.459 -26.359 9.574 755 HG2 PRO 102 1HG PRO 102 1.464 -26.939 11.843 756 HG3 PRO 102 2HG PRO 102 1.309 -27.795 10.273 757 HD2 PRO 102 1HD PRO 102 3.204 -25.922 10.631 758 HD3 PRO 102 2HD PRO 102 2.304 -25.989 9.094 759 H ASP 103 H ASP 103 1.731 -24.138 12.724 760 HA ASP 103 HA ASP 103 -0.239 -23.695 14.819 761 HB2 ASP 103 1HB ASP 103 2.763 -23.187 14.655 762 HB3 ASP 103 2HB ASP 103 1.800 -23.031 16.123 763 H ASP 104 H ASP 104 0.619 -21.761 12.239 764 HA ASP 104 HA ASP 104 0.568 -19.605 11.676 765 HB2 ASP 104 1HB ASP 104 -1.789 -20.173 12.182 766 HB3 ASP 104 2HB ASP 104 -1.609 -19.457 13.783 767 HA PRO 105 HA PRO 105 3.042 -17.993 15.348 768 HB2 PRO 105 1HB PRO 105 5.605 -18.322 14.505 769 HB3 PRO 105 2HB PRO 105 4.651 -19.664 15.205 770 HG2 PRO 105 1HG PRO 105 5.072 -19.033 12.258 771 HG3 PRO 105 2HG PRO 105 5.313 -20.599 13.099 772 HD2 PRO 105 1HD PRO 105 2.985 -20.011 11.789 773 HD3 PRO 105 2HD PRO 105 3.010 -20.960 13.305 774 H ARG 106 H ARG 106 3.215 -17.328 11.903 775 HA ARG 106 HA ARG 106 3.830 -15.528 10.614 776 HE ARG 106 HE ARG 106 -1.172 -15.710 11.502 777 HB2 ARG 106 1HB ARG 106 2.550 -13.932 12.857 778 HB3 ARG 106 2HB ARG 106 2.697 -13.469 11.155 779 HG2 ARG 106 1HG ARG 106 1.264 -15.454 10.543 780 HG3 ARG 106 2HG ARG 106 1.037 -15.753 12.280 781 HD2 ARG 106 1HD ARG 106 0.134 -13.400 12.485 782 HD3 ARG 106 2HD ARG 106 0.156 -13.309 10.709 783 HH11 ARG 106 1HH1 ARG 106 -1.857 -12.264 11.418 784 HH12 ARG 106 2HH1 ARG 106 -3.577 -12.522 11.532 785 HH21 ARG 106 1HH2 ARG 106 -3.275 -15.948 11.865 786 HH22 ARG 106 2HH2 ARG 106 -4.388 -14.594 11.721 787 H GLN 107 H GLN 107 5.985 -16.344 12.315 788 HA GLN 107 HA GLN 107 8.005 -15.711 13.201 789 HB2 GLN 107 1HB GLN 107 7.887 -13.841 10.803 790 HB3 GLN 107 2HB GLN 107 9.350 -14.282 11.676 791 HG2 GLN 107 1HG GLN 107 7.562 -16.195 10.120 792 HG3 GLN 107 2HG GLN 107 9.096 -15.542 9.567 793 HE21 GLN 107 1HE2 GLN 107 8.464 -18.347 9.787 794 HE22 GLN 107 2HE2 GLN 107 9.574 -19.017 10.991 Start of MODEL 2 1 HA CYS 2 HA CYS 2 -1.325 14.954 -10.599 2 H1 CYS 2 1H CYS 2 -1.168 15.684 -7.863 3 HB2 CYS 2 1HB CYS 2 -0.143 17.354 -10.668 4 HB3 CYS 2 2HB CYS 2 -1.840 17.124 -10.355 5 H GLY 3 H GLY 3 0.707 13.650 -8.679 6 HA2 GLY 3 1HA GLY 3 2.659 12.447 -8.966 7 HA3 GLY 3 2HA GLY 3 2.837 13.053 -10.604 8 H ASP 4 H ASP 4 2.706 15.903 -9.804 9 HA ASP 4 HA ASP 4 5.428 16.395 -8.858 10 HB2 ASP 4 1HB ASP 4 3.009 18.148 -9.388 11 HB3 ASP 4 2HB ASP 4 4.483 18.789 -8.659 12 H CYS 5 H CYS 5 2.388 15.714 -7.330 13 HA CYS 5 HA CYS 5 2.681 16.877 -4.793 14 HB2 CYS 5 1HB CYS 5 1.333 14.282 -5.710 15 HB3 CYS 5 2HB CYS 5 1.271 14.855 -4.082 16 H VAL 6 H VAL 6 4.266 14.043 -6.217 17 HA VAL 6 HA VAL 6 5.307 13.152 -3.554 18 HB VAL 6 HB VAL 6 5.608 11.006 -4.405 19 HG11 VAL 6 1HG1 VAL 6 2.833 11.976 -5.195 20 HG12 VAL 6 2HG1 VAL 6 3.295 10.323 -4.799 21 HG13 VAL 6 3HG1 VAL 6 3.374 11.576 -3.553 22 HG21 VAL 6 3HG2 VAL 6 4.410 11.789 -7.081 23 HG22 VAL 6 1HG2 VAL 6 6.137 11.447 -6.821 24 HG23 VAL 6 2HG2 VAL 6 4.937 10.185 -6.561 25 H GLU 7 H GLU 7 7.496 12.986 -3.179 26 HA GLU 7 HA GLU 7 9.393 14.427 -4.782 27 HB2 GLU 7 1HB GLU 7 9.657 14.222 -2.370 28 HB3 GLU 7 2HB GLU 7 9.717 12.483 -2.452 29 HG2 GLU 7 1HG GLU 7 11.823 12.661 -3.777 30 HG3 GLU 7 2HG GLU 7 11.774 14.415 -3.541 31 H LYS 8 H LYS 8 8.664 10.969 -4.408 32 HA LYS 8 HA LYS 8 10.097 10.302 -6.947 33 HB2 LYS 8 1HB LYS 8 10.000 8.633 -4.396 34 HB3 LYS 8 2HB LYS 8 10.790 8.181 -5.907 35 HG2 LYS 8 1HG LYS 8 12.342 10.183 -5.568 36 HG3 LYS 8 2HG LYS 8 11.606 10.379 -3.961 37 HD2 LYS 8 1HD LYS 8 12.282 8.016 -3.406 38 HD3 LYS 8 2HD LYS 8 13.066 7.916 -4.986 39 HE2 LYS 8 1HE LYS 8 14.835 8.405 -3.562 40 HE3 LYS 8 2HE LYS 8 14.456 9.966 -4.291 41 HZ1 LYS 8 3HZ LYS 8 13.530 9.082 -1.599 42 HZ2 LYS 8 1HZ LYS 8 13.284 10.578 -2.221 43 HZ3 LYS 8 2HZ LYS 8 14.786 10.083 -1.863 44 H GLU 9 H GLU 9 8.986 8.869 -8.244 45 HA GLU 9 HA GLU 9 6.156 8.282 -7.615 46 HB2 GLU 9 1HB GLU 9 7.981 7.857 -10.016 47 HB3 GLU 9 2HB GLU 9 6.390 7.097 -9.936 48 HG2 GLU 9 1HG GLU 9 5.226 9.002 -10.195 49 HG3 GLU 9 2HG GLU 9 6.421 10.033 -9.408 50 H TYR 10 H TYR 10 5.545 6.455 -6.586 51 HA TYR 10 HA TYR 10 5.680 4.451 -5.501 52 HD1 TYR 10 HD1 TYR 10 5.246 5.406 -9.224 53 HD2 TYR 10 HD2 TYR 10 3.673 2.045 -6.989 54 HE1 TYR 10 HE1 TYR 10 3.035 5.797 -10.208 55 HE2 TYR 10 HE2 TYR 10 1.422 2.488 -7.953 56 HH TYR 10 HH TYR 10 0.181 3.757 -9.404 57 HB2 TYR 10 1HB TYR 10 6.743 3.457 -8.151 58 HB3 TYR 10 2HB TYR 10 5.979 2.513 -6.903 59 HA PRO 11 HA PRO 11 10.264 4.809 -4.580 60 HB2 PRO 11 1HB PRO 11 9.985 5.479 -1.921 61 HB3 PRO 11 2HB PRO 11 9.949 6.694 -3.250 62 HG2 PRO 11 1HG PRO 11 7.582 5.362 -1.901 63 HG3 PRO 11 2HG PRO 11 7.895 7.109 -2.125 64 HD2 PRO 11 1HD PRO 11 6.347 5.795 -3.878 65 HD3 PRO 11 2HD PRO 11 7.568 6.918 -4.506 66 H ASN 12 H ASN 12 11.470 3.074 -3.562 67 HA ASN 12 HA ASN 12 9.829 0.806 -2.658 68 HB2 ASN 12 1HB ASN 12 12.864 1.175 -2.779 69 HB3 ASN 12 2HB ASN 12 12.027 -0.335 -2.418 70 HD21 ASN 12 1HD2 ASN 12 10.095 -0.671 -4.293 71 HD22 ASN 12 2HD2 ASN 12 10.837 -0.623 -5.891 72 H ARG 13 H ARG 13 9.686 -0.013 -0.560 73 HA ARG 13 HA ARG 13 10.666 1.809 1.625 74 HE ARG 13 HE ARG 13 8.455 4.128 3.175 75 HB2 ARG 13 1HB ARG 13 8.104 0.189 1.599 76 HB3 ARG 13 2HB ARG 13 8.667 1.291 2.859 77 HG2 ARG 13 1HG ARG 13 7.641 1.985 0.115 78 HG3 ARG 13 2HG ARG 13 6.951 2.370 1.688 79 HD2 ARG 13 1HD ARG 13 9.373 3.618 0.360 80 HD3 ARG 13 2HD ARG 13 7.870 4.384 0.798 81 HH11 ARG 13 1HH1 ARG 13 11.199 3.931 0.946 82 HH12 ARG 13 2HH1 ARG 13 12.287 4.563 2.150 83 HH21 ARG 13 1HH2 ARG 13 9.956 4.767 4.654 84 HH22 ARG 13 2HH2 ARG 13 11.620 4.963 4.189 85 H GLY 14 H GLY 14 12.130 -0.344 0.575 86 HA2 GLY 14 1HA GLY 14 13.458 -2.057 1.218 87 HA3 GLY 14 2HA GLY 14 13.259 -1.472 2.881 88 H ASN 15 H ASN 15 10.474 -2.461 1.347 89 HA ASN 15 HA ASN 15 9.512 -4.561 0.929 90 HB2 ASN 15 1HB ASN 15 9.698 -6.468 2.277 91 HB3 ASN 15 2HB ASN 15 11.318 -5.887 2.137 92 HD21 ASN 15 1HD2 ASN 15 10.561 -7.701 4.163 93 HD22 ASN 15 2HD2 ASN 15 10.632 -6.851 5.706 94 H THR 16 H THR 16 9.032 -2.120 3.119 95 HA THR 16 HA THR 16 6.897 -3.071 4.760 96 HB THR 16 HB THR 16 7.457 -0.247 3.790 97 HG1 THR 16 HG1 THR 16 9.217 -0.899 4.857 98 HG21 THR 16 3HG2 THR 16 6.416 0.416 5.972 99 HG22 THR 16 1HG2 THR 16 5.816 -1.251 6.128 100 HG23 THR 16 2HG2 THR 16 5.295 -0.215 4.764 101 H CYS 17 H CYS 17 4.866 -3.804 4.140 102 HA CYS 17 HA CYS 17 3.508 -2.481 1.838 103 HG CYS 17 HG CYS 17 5.768 -4.914 1.777 104 HB2 CYS 17 1HB CYS 17 3.379 -5.384 2.741 105 HB3 CYS 17 2HB CYS 17 2.475 -4.677 1.394 106 H LEU 18 H LEU 18 1.965 -1.198 2.673 107 HA LEU 18 HA LEU 18 0.333 -2.059 5.043 108 HG LEU 18 HG LEU 18 0.978 -0.422 7.059 109 HB2 LEU 18 1HB LEU 18 1.671 0.520 4.257 110 HB3 LEU 18 2HB LEU 18 0.151 0.610 5.111 111 HD11 LEU 18 1HD1 LEU 18 3.445 -1.081 7.242 112 HD12 LEU 18 2HD1 LEU 18 3.439 -1.132 5.460 113 HD13 LEU 18 3HD1 LEU 18 2.378 -2.201 6.400 114 HD21 LEU 18 3HD2 LEU 18 1.570 1.962 6.671 115 HD22 LEU 18 1HD2 LEU 18 3.134 1.451 5.993 116 HD23 LEU 18 2HD2 LEU 18 2.751 1.136 7.701 117 H GLU 19 H GLU 19 -1.728 -1.596 5.185 118 HA GLU 19 HA GLU 19 -3.284 -0.988 2.722 119 HB2 GLU 19 1HB GLU 19 -5.083 -2.117 3.771 120 HB3 GLU 19 2HB GLU 19 -3.688 -3.144 3.951 121 HG2 GLU 19 1HG GLU 19 -4.820 -1.378 6.151 122 HG3 GLU 19 2HG GLU 19 -5.225 -3.059 5.908 123 H ASN 20 H ASN 20 -2.063 0.739 5.265 124 HA ASN 20 HA ASN 20 -4.289 2.732 5.260 125 HB2 ASN 20 1HB ASN 20 -2.947 1.448 7.688 126 HB3 ASN 20 2HB ASN 20 -3.823 2.964 7.796 127 HD21 ASN 20 1HD2 ASN 20 -4.262 -0.013 8.745 128 HD22 ASN 20 2HD2 ASN 20 -5.982 -0.182 8.431 129 H GLY 21 H GLY 21 -3.714 4.829 5.993 130 HA2 GLY 21 1HA GLY 21 -2.288 6.546 6.693 131 HA3 GLY 21 2HA GLY 21 -0.879 5.543 6.395 132 H SER 22 H SER 22 -0.296 7.765 5.678 133 HA SER 22 HA SER 22 -0.291 7.989 2.728 134 HG SER 22 HG SER 22 -2.831 9.005 3.800 135 HB2 SER 22 1HB SER 22 -1.100 10.245 4.620 136 HB3 SER 22 2HB SER 22 -0.547 10.492 2.963 137 H PHE 23 H PHE 23 1.838 8.094 2.204 138 HA PHE 23 HA PHE 23 3.797 8.413 4.257 139 HD1 PHE 23 HD1 PHE 23 5.763 7.894 4.699 140 HD2 PHE 23 HD2 PHE 23 6.243 7.184 0.470 141 HE1 PHE 23 HE1 PHE 23 8.182 7.589 5.021 142 HE2 PHE 23 HE2 PHE 23 8.685 6.910 0.798 143 HZ PHE 23 HZ PHE 23 9.677 7.243 3.071 144 HB2 PHE 23 1HB PHE 23 3.862 6.801 2.405 145 HB3 PHE 23 2HB PHE 23 4.176 8.096 1.273 146 H LEU 24 H LEU 24 3.402 10.531 4.994 147 HA LEU 24 HA LEU 24 3.669 12.884 3.617 148 HG LEU 24 HG LEU 24 2.336 11.603 6.419 149 HB2 LEU 24 1HB LEU 24 4.606 12.407 6.468 150 HB3 LEU 24 2HB LEU 24 4.154 13.948 5.756 151 HD11 LEU 24 1HD1 LEU 24 2.976 13.106 8.271 152 HD12 LEU 24 2HD1 LEU 24 1.249 13.221 7.894 153 HD13 LEU 24 3HD1 LEU 24 2.361 14.500 7.353 154 HD21 LEU 24 3HD2 LEU 24 1.474 12.485 4.313 155 HD22 LEU 24 1HD2 LEU 24 1.609 14.155 4.921 156 HD23 LEU 24 2HD2 LEU 24 0.440 13.018 5.632 157 H LEU 25 H LEU 25 6.400 10.895 4.571 158 HA LEU 25 HA LEU 25 8.428 12.940 4.175 159 HG LEU 25 HG LEU 25 8.011 10.777 6.447 160 HB2 LEU 25 1HB LEU 25 8.595 9.915 4.221 161 HB3 LEU 25 2HB LEU 25 9.994 10.950 4.134 162 HD11 LEU 25 1HD1 LEU 25 9.628 8.907 6.267 163 HD12 LEU 25 2HD1 LEU 25 9.939 9.909 7.691 164 HD13 LEU 25 3HD1 LEU 25 10.969 10.069 6.250 165 HD21 LEU 25 3HD2 LEU 25 10.462 12.566 6.134 166 HD22 LEU 25 1HD2 LEU 25 9.601 12.278 7.662 167 HD23 LEU 25 2HD2 LEU 25 8.774 13.095 6.338 168 H ASN 26 H ASN 26 6.608 11.031 1.909 169 HA ASN 26 HA ASN 26 8.512 11.723 -0.328 170 HB2 ASN 26 1HB ASN 26 7.742 9.346 -0.068 171 HB3 ASN 26 2HB ASN 26 6.082 9.866 -0.289 172 HD21 ASN 26 1HD2 ASN 26 5.838 8.644 -2.307 173 HD22 ASN 26 2HD2 ASN 26 6.711 9.168 -3.757 174 H PHE 27 H PHE 27 5.216 12.215 0.976 175 HA PHE 27 HA PHE 27 4.275 13.777 -1.258 176 HD1 PHE 27 HD1 PHE 27 2.140 14.309 -1.900 177 HD2 PHE 27 HD2 PHE 27 1.980 15.690 2.170 178 HE1 PHE 27 HE1 PHE 27 0.352 15.955 -2.542 179 HE2 PHE 27 HE2 PHE 27 0.215 17.329 1.526 180 HZ PHE 27 HZ PHE 27 -0.617 17.422 -0.801 181 HB2 PHE 27 1HB PHE 27 2.765 12.827 0.436 182 HB3 PHE 27 2HB PHE 27 3.414 13.912 1.647 183 H THR 28 H THR 28 5.296 15.541 -1.966 184 HA THR 28 HA THR 28 6.728 17.368 -0.085 185 HB THR 28 HB THR 28 7.473 18.477 -2.273 186 HG1 THR 28 HG1 THR 28 6.019 17.604 -3.730 187 HG21 THR 28 3HG2 THR 28 9.118 16.659 -2.722 188 HG22 THR 28 1HG2 THR 28 8.167 15.587 -1.667 189 HG23 THR 28 2HG2 THR 28 8.943 17.035 -0.997 190 H GLY 29 H GLY 29 3.641 17.074 -0.870 191 HA2 GLY 29 1HA GLY 29 1.943 18.620 -0.349 192 HA3 GLY 29 2HA GLY 29 3.002 19.978 -0.662 193 H CYS 30 H CYS 30 0.370 19.444 -1.744 194 HA CYS 30 HA CYS 30 0.231 18.358 -4.265 195 HB2 CYS 30 1HB CYS 30 -1.599 19.242 -2.649 196 HB3 CYS 30 2HB CYS 30 -1.329 20.806 -3.372 197 H ALA 31 H ALA 31 -0.385 19.454 -6.215 198 HA ALA 31 HA ALA 31 1.164 21.933 -6.779 199 HB1 ALA 31 3HB ALA 31 2.286 19.756 -7.680 200 HB2 ALA 31 1HB ALA 31 1.042 19.910 -8.962 201 HB3 ALA 31 2HB ALA 31 2.181 21.223 -8.697 202 H VAL 32 H VAL 32 -1.884 20.360 -6.914 203 HA VAL 32 HA VAL 32 -2.928 22.068 -9.041 204 HB VAL 32 HB VAL 32 -4.265 20.264 -6.988 205 HG11 VAL 32 1HG1 VAL 32 -5.725 21.981 -9.037 206 HG12 VAL 32 2HG1 VAL 32 -6.440 20.678 -8.048 207 HG13 VAL 32 3HG1 VAL 32 -5.829 22.134 -7.267 208 HG21 VAL 32 3HG2 VAL 32 -3.286 19.173 -8.980 209 HG22 VAL 32 1HG2 VAL 32 -5.045 19.035 -8.964 210 HG23 VAL 32 2HG2 VAL 32 -4.257 20.216 -10.040 211 H CYS 33 H CYS 33 -2.660 22.145 -5.509 212 HA CYS 33 HA CYS 33 -3.489 25.012 -5.491 213 HB2 CYS 33 1HB CYS 33 -4.569 24.612 -3.407 214 HB3 CYS 33 2HB CYS 33 -5.213 23.473 -4.600 215 H SER 34 H SER 34 -1.038 22.783 -4.504 216 HA SER 34 HA SER 34 1.041 23.135 -3.652 217 HG SER 34 HG SER 34 2.726 26.099 -3.695 218 HB2 SER 34 1HB SER 34 0.710 25.509 -4.609 219 HB3 SER 34 2HB SER 34 0.564 25.989 -2.909 220 H LYS 35 H LYS 35 -1.437 22.496 -1.838 221 HA LYS 35 HA LYS 35 -0.452 23.341 0.841 222 HB2 LYS 35 1HB LYS 35 -2.792 21.699 -0.164 223 HB3 LYS 35 2HB LYS 35 -2.365 21.743 1.535 224 HG2 LYS 35 1HG LYS 35 -2.418 24.476 0.492 225 HG3 LYS 35 2HG LYS 35 -3.923 23.643 0.106 226 HD2 LYS 35 1HD LYS 35 -4.313 23.072 2.407 227 HD3 LYS 35 2HD LYS 35 -2.705 23.686 2.881 228 HE2 LYS 35 1HE LYS 35 -3.394 25.966 2.073 229 HE3 LYS 35 2HE LYS 35 -5.005 25.333 1.713 230 HZ1 LYS 35 3HZ LYS 35 -3.759 25.404 4.414 231 HZ2 LYS 35 1HZ LYS 35 -5.253 24.824 4.089 232 HZ3 LYS 35 2HZ LYS 35 -4.930 26.411 3.892 233 H ARG 36 H ARG 36 0.384 22.037 2.431 234 HA ARG 36 HA ARG 36 1.205 19.246 1.733 235 HE ARG 36 HE ARG 36 5.340 17.210 2.207 236 HB2 ARG 36 1HB ARG 36 3.095 20.863 1.676 237 HB3 ARG 36 2HB ARG 36 2.881 21.089 3.422 238 HG2 ARG 36 1HG ARG 36 3.437 18.799 3.885 239 HG3 ARG 36 2HG ARG 36 3.179 18.315 2.194 240 HD2 ARG 36 1HD ARG 36 5.114 19.659 1.527 241 HD3 ARG 36 2HD ARG 36 5.425 20.052 3.229 242 HH11 ARG 36 1HH1 ARG 36 7.246 19.608 3.917 243 HH12 ARG 36 2HH1 ARG 36 8.380 18.406 4.467 244 HH21 ARG 36 1HH2 ARG 36 6.701 15.761 3.009 245 HH22 ARG 36 2HH2 ARG 36 8.092 16.273 3.932 246 H ASP 37 H ASP 37 1.462 17.836 3.665 247 HA ASP 37 HA ASP 37 0.428 16.693 5.284 248 HB2 ASP 37 1HB ASP 37 0.440 17.562 7.470 249 HB3 ASP 37 2HB ASP 37 1.908 17.976 6.610 250 H PHE 38 H PHE 38 -1.263 17.823 3.415 251 HA PHE 38 HA PHE 38 -3.935 17.869 4.731 252 HD1 PHE 38 HD1 PHE 38 -2.368 20.202 5.467 253 HD2 PHE 38 HD2 PHE 38 -5.869 20.779 3.022 254 HE1 PHE 38 HE1 PHE 38 -3.097 22.052 6.937 255 HE2 PHE 38 HE2 PHE 38 -6.592 22.638 4.477 256 HZ PHE 38 HZ PHE 38 -5.213 23.273 6.466 257 HB2 PHE 38 1HB PHE 38 -2.761 19.593 2.599 258 HB3 PHE 38 2HB PHE 38 -4.426 19.114 2.427 259 H MET 39 H MET 39 -4.498 15.781 4.525 260 HA MET 39 HA MET 39 -5.358 14.949 1.916 261 HB2 MET 39 1HB MET 39 -4.198 12.658 2.013 262 HB3 MET 39 2HB MET 39 -3.324 14.021 1.395 263 HG2 MET 39 1HG MET 39 -2.949 13.707 4.313 264 HG3 MET 39 2HG MET 39 -2.548 12.245 3.434 265 HE1 MET 39 3HE MET 39 0.417 13.107 1.230 266 HE2 MET 39 1HE MET 39 -0.984 12.059 1.510 267 HE3 MET 39 2HE MET 39 -1.170 13.558 0.575 268 H LEU 40 H LEU 40 -6.660 13.306 1.754 269 HA LEU 40 HA LEU 40 -7.966 11.970 4.084 270 HG LEU 40 HG LEU 40 -10.463 14.655 3.176 271 HB2 LEU 40 1HB LEU 40 -9.047 13.598 1.761 272 HB3 LEU 40 2HB LEU 40 -9.970 12.254 2.299 273 HD11 LEU 40 1HD1 LEU 40 -10.468 12.199 5.004 274 HD12 LEU 40 2HD1 LEU 40 -11.711 12.594 3.795 275 HD13 LEU 40 3HD1 LEU 40 -11.491 13.639 5.202 276 HD21 LEU 40 3HD2 LEU 40 -9.634 15.114 5.392 277 HD22 LEU 40 1HD2 LEU 40 -8.314 15.102 4.203 278 HD23 LEU 40 2HD2 LEU 40 -8.539 13.729 5.315 279 H ILE 41 H ILE 41 -9.189 10.033 3.335 280 HA ILE 41 HA ILE 41 -8.147 8.692 0.885 281 HB ILE 41 HB ILE 41 -8.440 7.584 3.696 282 HG12 ILE 41 1HG1 ILE 41 -6.060 7.507 1.778 283 HG13 ILE 41 2HG1 ILE 41 -6.270 8.710 3.049 284 HG21 ILE 41 1HG2 ILE 41 -9.463 5.913 2.219 285 HG22 ILE 41 2HG2 ILE 41 -8.115 6.038 1.075 286 HG23 ILE 41 3HG2 ILE 41 -7.885 5.315 2.675 287 HD11 ILE 41 3HD1 ILE 41 -4.767 7.073 3.892 288 HD12 ILE 41 1HD1 ILE 41 -6.298 6.873 4.761 289 HD13 ILE 41 2HD1 ILE 41 -5.841 5.733 3.470 290 H THR 42 H THR 42 -9.746 7.827 -0.322 291 HA THR 42 HA THR 42 -12.396 7.292 0.837 292 HB THR 42 HB THR 42 -12.216 9.781 0.019 293 HG1 THR 42 HG1 THR 42 -14.414 9.620 -0.404 294 HG21 THR 42 3HG2 THR 42 -11.528 8.867 -2.398 295 HG22 THR 42 1HG2 THR 42 -12.625 10.256 -2.213 296 HG23 THR 42 2HG2 THR 42 -13.273 8.649 -2.575 297 H ASN 43 H ASN 43 -13.907 6.478 -0.928 298 HA ASN 43 HA ASN 43 -14.497 4.781 -2.242 299 HB2 ASN 43 1HB ASN 43 -14.228 5.339 -4.357 300 HB3 ASN 43 2HB ASN 43 -13.210 6.649 -3.773 301 HD21 ASN 43 1HD2 ASN 43 -10.783 5.689 -3.332 302 HD22 ASN 43 2HD2 ASN 43 -10.141 4.984 -4.822 303 H LYS 44 H LYS 44 -12.350 4.218 -0.236 304 HA LYS 44 HA LYS 44 -10.615 2.179 -0.957 305 HB2 LYS 44 1HB LYS 44 -10.782 3.514 1.197 306 HB3 LYS 44 2HB LYS 44 -12.071 2.395 1.693 307 HG2 LYS 44 1HG LYS 44 -10.587 0.502 1.705 308 HG3 LYS 44 2HG LYS 44 -9.327 1.401 0.869 309 HD2 LYS 44 1HD LYS 44 -9.201 2.958 2.858 310 HD3 LYS 44 2HD LYS 44 -10.253 1.810 3.725 311 HE2 LYS 44 1HE LYS 44 -8.591 0.016 3.374 312 HE3 LYS 44 2HE LYS 44 -7.604 1.103 2.385 313 HZ1 LYS 44 3HZ LYS 44 -6.685 1.078 4.558 314 HZ2 LYS 44 1HZ LYS 44 -8.113 1.393 5.294 315 HZ3 LYS 44 2HZ LYS 44 -7.375 2.534 4.384 316 H SER 45 H SER 45 -10.925 0.371 -1.882 317 HA SER 45 HA SER 45 -13.290 -1.327 -1.238 318 HG SER 45 HG SER 45 -13.580 -0.760 -4.686 319 HB2 SER 45 1HB SER 45 -11.528 -1.122 -3.718 320 HB3 SER 45 2HB SER 45 -12.634 -2.475 -3.439 321 H LEU 46 H LEU 46 -13.038 -3.560 -1.123 322 HA LEU 46 HA LEU 46 -10.357 -4.641 -0.585 323 HG LEU 46 HG LEU 46 -10.429 -6.645 1.104 324 HB2 LEU 46 1HB LEU 46 -11.022 -4.023 1.584 325 HB3 LEU 46 2HB LEU 46 -12.661 -4.618 1.383 326 HD11 LEU 46 1HD1 LEU 46 -9.720 -5.323 3.073 327 HD12 LEU 46 2HD1 LEU 46 -10.261 -6.939 3.539 328 HD13 LEU 46 3HD1 LEU 46 -11.327 -5.537 3.800 329 HD21 LEU 46 3HD2 LEU 46 -12.771 -7.417 0.920 330 HD22 LEU 46 1HD2 LEU 46 -13.122 -6.747 2.526 331 HD23 LEU 46 2HD2 LEU 46 -11.981 -8.095 2.339 332 H LYS 47 H LYS 47 -10.102 -6.687 -1.225 333 HA LYS 47 HA LYS 47 -12.400 -8.256 -2.255 334 HB2 LYS 47 1HB LYS 47 -10.608 -6.884 -3.887 335 HB3 LYS 47 2HB LYS 47 -9.857 -8.459 -3.768 336 HG2 LYS 47 1HG LYS 47 -11.786 -9.589 -4.613 337 HG3 LYS 47 2HG LYS 47 -12.754 -8.095 -4.560 338 HD2 LYS 47 1HD LYS 47 -11.251 -7.060 -6.231 339 HD3 LYS 47 2HD LYS 47 -10.314 -8.555 -6.348 340 HE2 LYS 47 1HE LYS 47 -13.320 -8.447 -6.864 341 HE3 LYS 47 2HE LYS 47 -12.148 -8.061 -8.126 342 HZ1 LYS 47 3HZ LYS 47 -11.220 -10.275 -7.910 343 HZ2 LYS 47 1HZ LYS 47 -12.818 -10.394 -8.204 344 HZ3 LYS 47 2HZ LYS 47 -12.246 -10.686 -6.705 345 H GLU 48 H GLU 48 -12.146 -10.494 -2.213 346 HA GLU 48 HA GLU 48 -9.650 -11.551 -0.958 347 HB2 GLU 48 1HB GLU 48 -12.434 -12.133 0.108 348 HB3 GLU 48 2HB GLU 48 -10.943 -12.920 0.629 349 HG2 GLU 48 1HG GLU 48 -10.093 -10.732 1.456 350 HG3 GLU 48 2HG GLU 48 -11.618 -9.980 0.989 351 H GLU 49 H GLU 49 -8.923 -13.077 -2.285 352 HA GLU 49 HA GLU 49 -10.828 -14.988 -3.572 353 HB2 GLU 49 1HB GLU 49 -8.188 -14.082 -4.748 354 HB3 GLU 49 2HB GLU 49 -9.332 -15.227 -5.437 355 HG2 GLU 49 1HG GLU 49 -9.723 -12.223 -5.029 356 HG3 GLU 49 2HG GLU 49 -9.443 -13.045 -6.554 357 H ASP 50 H ASP 50 -10.617 -16.981 -2.848 358 HA ASP 50 HA ASP 50 -9.790 -18.849 -1.809 359 HB2 ASP 50 1HB ASP 50 -9.122 -18.705 -4.294 360 HB3 ASP 50 2HB ASP 50 -7.499 -18.317 -3.740 361 H GLY 51 H GLY 51 -8.664 -16.429 -0.418 362 HA2 GLY 51 1HA GLY 51 -7.550 -16.795 1.811 363 HA3 GLY 51 2HA GLY 51 -6.257 -17.646 0.957 364 H GLU 52 H GLU 52 -6.598 -15.520 -1.288 365 HA GLU 52 HA GLU 52 -4.599 -13.629 -0.318 366 HB2 GLU 52 1HB GLU 52 -4.504 -14.461 -2.636 367 HB3 GLU 52 2HB GLU 52 -6.149 -13.864 -2.926 368 HG2 GLU 52 1HG GLU 52 -5.339 -11.515 -2.602 369 HG3 GLU 52 2HG GLU 52 -3.714 -12.129 -2.448 370 H GLU 53 H GLU 53 -4.943 -11.547 0.275 371 HA GLU 53 HA GLU 53 -7.731 -10.456 0.295 372 HB2 GLU 53 1HB GLU 53 -5.521 -10.009 2.345 373 HB3 GLU 53 2HB GLU 53 -7.089 -9.197 2.310 374 HG2 GLU 53 1HG GLU 53 -8.214 -11.418 2.595 375 HG3 GLU 53 2HG GLU 53 -6.632 -12.185 2.713 376 H ILE 54 H ILE 54 -7.972 -8.553 -0.796 377 HA ILE 54 HA ILE 54 -5.500 -7.063 -1.548 378 HB ILE 54 HB ILE 54 -7.992 -7.380 -3.262 379 HG12 ILE 54 1HG1 ILE 54 -6.038 -8.571 -4.741 380 HG13 ILE 54 2HG1 ILE 54 -5.429 -8.995 -3.151 381 HG21 ILE 54 1HG2 ILE 54 -5.285 -6.111 -3.641 382 HG22 ILE 54 2HG2 ILE 54 -6.440 -6.379 -4.976 383 HG23 ILE 54 3HG2 ILE 54 -6.876 -5.315 -3.643 384 HD11 ILE 54 3HD1 ILE 54 -6.843 -10.777 -4.113 385 HD12 ILE 54 1HD1 ILE 54 -7.655 -10.122 -2.679 386 HD13 ILE 54 2HD1 ILE 54 -8.175 -9.664 -4.321 387 H VAL 55 H VAL 55 -5.567 -4.872 -1.337 388 HA VAL 55 HA VAL 55 -8.130 -3.539 -0.550 389 HB VAL 55 HB VAL 55 -5.400 -3.054 0.721 390 HG11 VAL 55 1HG1 VAL 55 -8.144 -1.902 1.374 391 HG12 VAL 55 2HG1 VAL 55 -6.622 -1.610 2.264 392 HG13 VAL 55 3HG1 VAL 55 -6.788 -1.036 0.603 393 HG21 VAL 55 3HG2 VAL 55 -7.854 -4.465 1.838 394 HG22 VAL 55 1HG2 VAL 55 -6.240 -5.167 1.567 395 HG23 VAL 55 2HG2 VAL 55 -6.460 -3.936 2.813 396 H THR 56 H THR 56 -8.541 -2.031 -2.040 397 HA THR 56 HA THR 56 -6.251 -0.506 -3.212 398 HB THR 56 HB THR 56 -7.291 -0.370 -5.333 399 HG1 THR 56 HG1 THR 56 -9.131 -1.613 -5.798 400 HG21 THR 56 3HG2 THR 56 -7.303 -3.313 -4.520 401 HG22 THR 56 1HG2 THR 56 -5.817 -2.370 -4.740 402 HG23 THR 56 2HG2 THR 56 -6.917 -2.620 -6.105 403 H TYR 57 H TYR 57 -6.346 1.675 -3.212 404 HA TYR 57 HA TYR 57 -8.905 3.061 -2.896 405 HD1 TYR 57 HD1 TYR 57 -6.590 1.134 0.044 406 HD2 TYR 57 HD2 TYR 57 -6.344 5.417 -0.362 407 HE1 TYR 57 HE1 TYR 57 -4.626 1.175 1.583 408 HE2 TYR 57 HE2 TYR 57 -4.384 5.453 1.153 409 HH TYR 57 HH TYR 57 -3.005 4.235 2.501 410 HB2 TYR 57 1HB TYR 57 -8.483 4.146 -0.827 411 HB3 TYR 57 2HB TYR 57 -8.501 2.438 -0.653 412 H ASP 58 H ASP 58 -8.164 5.537 -2.144 413 HA ASP 58 HA ASP 58 -6.027 6.493 -3.995 414 HB2 ASP 58 1HB ASP 58 -8.976 7.362 -3.845 415 HB3 ASP 58 2HB ASP 58 -7.719 8.299 -4.629 416 H HIS 59 H HIS 59 -5.391 8.671 -3.453 417 HA HIS 59 HA HIS 59 -6.040 9.593 -0.669 418 HD1 HIS 59 HD1 HIS 59 -3.104 8.982 1.266 419 HD2 HIS 59 HD2 HIS 59 -2.777 7.606 -2.698 420 HE1 HIS 59 HE1 HIS 59 -1.641 6.921 1.332 421 HB2 HIS 59 1HB HIS 59 -3.538 10.195 -2.283 422 HB3 HIS 59 2HB HIS 59 -3.875 10.674 -0.636 423 H LEU 60 H LEU 60 -6.629 11.766 -0.432 424 HA LEU 60 HA LEU 60 -6.990 13.411 -2.903 425 HG LEU 60 HG LEU 60 -9.016 12.406 -3.751 426 HB2 LEU 60 1HB LEU 60 -9.058 12.836 -0.736 427 HB3 LEU 60 2HB LEU 60 -9.146 14.178 -1.865 428 HD11 LEU 60 1HD1 LEU 60 -10.034 10.252 -3.188 429 HD12 LEU 60 2HD1 LEU 60 -10.085 10.689 -1.452 430 HD13 LEU 60 3HD1 LEU 60 -8.548 10.399 -2.278 431 HD21 LEU 60 3HD2 LEU 60 -11.476 12.612 -1.961 432 HD22 LEU 60 1HD2 LEU 60 -11.453 12.128 -3.677 433 HD23 LEU 60 2HD2 LEU 60 -10.999 13.769 -3.217 434 H CYS 61 H CYS 61 -6.459 15.497 -2.694 435 HA CYS 61 HA CYS 61 -5.083 16.535 -0.440 436 HB2 CYS 61 1HB CYS 61 -5.021 17.143 -2.935 437 HB3 CYS 61 2HB CYS 61 -6.511 18.042 -2.678 438 H LYS 62 H LYS 62 -5.837 17.288 1.482 439 HA LYS 62 HA LYS 62 -8.660 17.433 2.087 440 HB2 LYS 62 1HB LYS 62 -7.148 16.903 3.842 441 HB3 LYS 62 2HB LYS 62 -6.131 18.280 3.516 442 HG2 LYS 62 1HG LYS 62 -7.208 18.642 5.586 443 HG3 LYS 62 2HG LYS 62 -7.812 19.821 4.433 444 HD2 LYS 62 1HD LYS 62 -9.851 18.325 4.111 445 HD3 LYS 62 2HD LYS 62 -9.211 17.308 5.418 446 HE2 LYS 62 1HE LYS 62 -9.207 19.276 6.942 447 HE3 LYS 62 2HE LYS 62 -9.864 20.280 5.644 448 HZ1 LYS 62 3HZ LYS 62 -11.854 18.869 5.649 449 HZ2 LYS 62 1HZ LYS 62 -11.612 19.495 7.134 450 HZ3 LYS 62 2HZ LYS 62 -11.243 17.934 6.846 451 H ASN 63 H ASN 63 -6.707 19.654 0.368 452 HA ASN 63 HA ASN 63 -8.307 22.032 1.129 453 HB2 ASN 63 1HB ASN 63 -5.935 22.327 1.133 454 HB3 ASN 63 2HB ASN 63 -5.776 21.714 -0.507 455 HD21 ASN 63 1HD2 ASN 63 -5.510 23.339 -1.992 456 HD22 ASN 63 2HD2 ASN 63 -6.277 24.924 -1.840 457 H CYS 64 H CYS 64 -7.086 20.717 -2.047 458 HA CYS 64 HA CYS 64 -9.495 21.785 -3.333 459 HB2 CYS 64 1HB CYS 64 -8.240 21.400 -5.410 460 HB3 CYS 64 2HB CYS 64 -7.418 22.459 -4.270 461 H HIS 65 H HIS 65 -8.746 18.789 -2.027 462 HA HIS 65 HA HIS 65 -9.411 16.653 -2.321 463 HD1 HIS 65 HD1 HIS 65 -12.035 19.668 -1.065 464 HD2 HIS 65 HD2 HIS 65 -11.020 15.665 -0.144 465 HE1 HIS 65 HE1 HIS 65 -12.009 19.495 1.505 466 HE2 HIS 65 HE2 HIS 65 -11.459 17.039 2.053 467 HB2 HIS 65 1HB HIS 65 -11.989 17.976 -3.157 468 HB3 HIS 65 2HB HIS 65 -11.803 16.271 -2.740 469 H HIS 66 H HIS 66 -8.053 17.846 -4.600 470 HA HIS 66 HA HIS 66 -8.718 16.282 -6.962 471 HD1 HIS 66 HD1 HIS 66 -5.856 16.053 -9.086 472 HD2 HIS 66 HD2 HIS 66 -4.413 17.389 -5.356 473 HE1 HIS 66 HE1 HIS 66 -3.339 15.940 -9.202 474 HB2 HIS 66 1HB HIS 66 -7.333 17.905 -7.621 475 HB3 HIS 66 2HB HIS 66 -6.702 18.156 -6.005 476 H VAL 67 H VAL 67 -7.767 14.189 -7.484 477 HA VAL 67 HA VAL 67 -6.955 12.573 -5.197 478 HB VAL 67 HB VAL 67 -7.130 11.878 -8.160 479 HG11 VAL 67 1HG1 VAL 67 -5.558 10.355 -7.083 480 HG12 VAL 67 2HG1 VAL 67 -6.657 10.137 -5.701 481 HG13 VAL 67 3HG1 VAL 67 -7.100 9.525 -7.298 482 HG21 VAL 67 3HG2 VAL 67 -9.169 10.661 -7.501 483 HG22 VAL 67 1HG2 VAL 67 -8.980 11.206 -5.824 484 HG23 VAL 67 2HG2 VAL 67 -9.339 12.375 -7.114 485 H ILE 68 H ILE 68 -5.089 12.913 -4.350 486 HA ILE 68 HA ILE 68 -2.729 13.976 -5.563 487 HB ILE 68 HB ILE 68 -3.334 12.518 -2.987 488 HG12 ILE 68 1HG1 ILE 68 -2.561 15.383 -3.715 489 HG13 ILE 68 2HG1 ILE 68 -4.198 14.829 -3.399 490 HG21 ILE 68 1HG2 ILE 68 -1.065 13.029 -2.162 491 HG22 ILE 68 2HG2 ILE 68 -0.965 11.939 -3.519 492 HG23 ILE 68 3HG2 ILE 68 -0.619 13.663 -3.754 493 HD11 ILE 68 3HD1 ILE 68 -3.259 15.989 -1.492 494 HD12 ILE 68 1HD1 ILE 68 -3.607 14.285 -1.087 495 HD13 ILE 68 2HD1 ILE 68 -1.932 14.847 -1.376 496 H ALA 69 H ALA 69 -3.707 10.624 -4.761 497 HA ALA 69 HA ALA 69 -1.961 9.423 -6.776 498 HB1 ALA 69 3HB ALA 69 -1.381 9.271 -3.771 499 HB2 ALA 69 1HB ALA 69 -0.656 8.171 -4.954 500 HB3 ALA 69 2HB ALA 69 -0.321 9.914 -5.032 501 H ARG 70 H ARG 70 -2.027 7.002 -6.637 502 HA ARG 70 HA ARG 70 -4.566 5.891 -5.495 503 HE ARG 70 HE ARG 70 -7.346 7.387 -8.210 504 HB2 ARG 70 1HB ARG 70 -3.205 5.394 -8.169 505 HB3 ARG 70 2HB ARG 70 -4.105 4.122 -7.347 506 HG2 ARG 70 1HG ARG 70 -5.680 5.000 -8.776 507 HG3 ARG 70 2HG ARG 70 -6.073 5.663 -7.191 508 HD2 ARG 70 1HD ARG 70 -4.867 7.791 -7.888 509 HD3 ARG 70 2HD ARG 70 -4.654 7.074 -9.497 510 HH11 ARG 70 1HH1 ARG 70 -5.361 8.230 -10.993 511 HH12 ARG 70 2HH1 ARG 70 -6.713 8.944 -11.827 512 HH21 ARG 70 1HH2 ARG 70 -8.960 8.246 -9.301 513 HH22 ARG 70 2HH2 ARG 70 -8.732 8.954 -10.881 514 H HIS 71 H HIS 71 -4.426 4.063 -4.404 515 HA HIS 71 HA HIS 71 -1.722 2.911 -3.772 516 HD2 HIS 71 HD2 HIS 71 -2.736 0.529 -1.113 517 HE1 HIS 71 HE1 HIS 71 0.280 2.681 0.993 518 HE2 HIS 71 HE2 HIS 71 -0.891 0.427 0.759 519 HB2 HIS 71 1HB HIS 71 -2.954 4.402 -2.057 520 HB3 HIS 71 2HB HIS 71 -4.108 3.096 -1.899 521 H GLU 72 H GLU 72 -1.532 0.732 -3.779 522 HA GLU 72 HA GLU 72 -3.935 -1.003 -3.592 523 HB2 GLU 72 1HB GLU 72 -3.619 -0.930 -5.939 524 HB3 GLU 72 2HB GLU 72 -1.858 -1.023 -5.814 525 HG2 GLU 72 1HG GLU 72 -1.914 -3.292 -5.081 526 HG3 GLU 72 2HG GLU 72 -3.668 -3.271 -4.851 527 H TYR 73 H TYR 73 -3.615 -2.556 -2.140 528 HA TYR 73 HA TYR 73 -0.866 -3.535 -1.544 529 HD1 TYR 73 HD1 TYR 73 0.291 -4.490 0.749 530 HD2 TYR 73 HD2 TYR 73 -3.872 -4.121 1.832 531 HE1 TYR 73 HE1 TYR 73 0.562 -6.313 2.389 532 HE2 TYR 73 HE2 TYR 73 -3.585 -5.915 3.505 533 HH TYR 73 HH TYR 73 -2.125 -7.333 4.550 534 HB2 TYR 73 1HB TYR 73 -1.298 -2.238 0.361 535 HB3 TYR 73 2HB TYR 73 -3.010 -2.595 0.351 536 H THR 74 H THR 74 -0.782 -5.677 -1.881 537 HA THR 74 HA THR 74 -3.323 -7.277 -1.712 538 HB THR 74 HB THR 74 -3.072 -8.341 -3.664 539 HG1 THR 74 HG1 THR 74 -1.155 -8.520 -4.831 540 HG21 THR 74 3HG2 THR 74 -2.731 -6.849 -5.494 541 HG22 THR 74 1HG2 THR 74 -1.566 -5.864 -4.587 542 HG23 THR 74 2HG2 THR 74 -3.279 -5.798 -4.183 543 H PHE 75 H PHE 75 -3.175 -9.097 -0.609 544 HA PHE 75 HA PHE 75 -0.469 -10.034 0.310 545 HD1 PHE 75 HD1 PHE 75 0.399 -10.640 2.846 546 HD2 PHE 75 HD2 PHE 75 -3.806 -11.587 2.776 547 HE1 PHE 75 HE1 PHE 75 0.827 -12.580 4.244 548 HE2 PHE 75 HE2 PHE 75 -3.363 -13.614 4.127 549 HZ PHE 75 HZ PHE 75 -1.030 -14.159 4.820 550 HB2 PHE 75 1HB PHE 75 -1.341 -8.943 2.146 551 HB3 PHE 75 2HB PHE 75 -2.985 -9.463 1.877 552 H SER 76 H SER 76 -0.144 -12.206 -0.101 553 HA SER 76 HA SER 76 -2.448 -14.034 -0.728 554 HG SER 76 HG SER 76 -1.392 -13.839 -3.998 555 HB2 SER 76 1HB SER 76 0.031 -13.401 -2.280 556 HB3 SER 76 2HB SER 76 -0.512 -15.075 -2.281 557 H ILE 77 H ILE 77 -2.311 -16.143 -0.035 558 HA ILE 77 HA ILE 77 0.146 -16.909 1.543 559 HB ILE 77 HB ILE 77 -2.666 -17.969 1.918 560 HG12 ILE 77 1HG1 ILE 77 -1.058 -15.833 3.278 561 HG13 ILE 77 2HG1 ILE 77 -2.742 -15.813 2.720 562 HG21 ILE 77 1HG2 ILE 77 -1.715 -19.208 3.801 563 HG22 ILE 77 2HG2 ILE 77 -0.823 -19.637 2.346 564 HG23 ILE 77 3HG2 ILE 77 -0.116 -18.491 3.509 565 HD11 ILE 77 3HD1 ILE 77 -2.742 -15.802 5.116 566 HD12 ILE 77 1HD1 ILE 77 -3.299 -17.408 4.601 567 HD13 ILE 77 2HD1 ILE 77 -1.626 -17.171 5.196 568 H MET 78 H MET 78 1.421 -18.372 0.679 569 HA MET 78 HA MET 78 0.291 -20.338 -1.243 570 HB2 MET 78 1HB MET 78 2.523 -20.319 -2.389 571 HB3 MET 78 2HB MET 78 1.510 -18.898 -2.631 572 HG2 MET 78 1HG MET 78 2.869 -17.519 -1.304 573 HG3 MET 78 2HG MET 78 3.645 -18.870 -0.489 574 HE1 MET 78 3HE MET 78 3.366 -19.166 -4.447 575 HE2 MET 78 1HE MET 78 3.161 -17.424 -4.143 576 HE3 MET 78 2HE MET 78 4.634 -18.028 -4.942 577 H ASP 79 H ASP 79 0.303 -22.285 -0.535 578 HA ASP 79 HA ASP 79 0.728 -24.221 0.502 579 HB2 ASP 79 1HB ASP 79 2.395 -24.057 -1.350 580 HB3 ASP 79 2HB ASP 79 3.596 -23.520 -0.171 581 H GLU 80 H GLU 80 3.623 -22.471 1.674 582 HA GLU 80 HA GLU 80 2.897 -23.019 4.519 583 HB2 GLU 80 1HB GLU 80 5.739 -23.293 3.515 584 HB3 GLU 80 2HB GLU 80 5.080 -23.744 5.084 585 HG2 GLU 80 1HG GLU 80 3.717 -25.522 3.823 586 HG3 GLU 80 2HG GLU 80 4.724 -25.120 2.416 587 H PHE 81 H PHE 81 3.455 -20.628 2.301 588 HA PHE 81 HA PHE 81 4.868 -18.909 4.346 589 HD1 PHE 81 HD1 PHE 81 7.020 -20.687 3.743 590 HD2 PHE 81 HD2 PHE 81 5.860 -19.562 -0.231 591 HE1 PHE 81 HE1 PHE 81 8.319 -22.600 2.824 592 HE2 PHE 81 HE2 PHE 81 7.087 -21.487 -1.165 593 HZ PHE 81 HZ PHE 81 8.354 -23.015 0.371 594 HB2 PHE 81 1HB PHE 81 5.201 -18.221 1.447 595 HB3 PHE 81 2HB PHE 81 6.295 -18.078 2.762 596 H GLN 82 H GLN 82 4.611 -16.597 3.779 597 HA GLN 82 HA GLN 82 1.924 -15.899 2.637 598 HB2 GLN 82 1HB GLN 82 3.168 -14.162 4.710 599 HB3 GLN 82 2HB GLN 82 1.469 -14.469 4.296 600 HG2 GLN 82 1HG GLN 82 1.674 -16.698 5.401 601 HG3 GLN 82 2HG GLN 82 3.245 -16.111 6.036 602 HE21 GLN 82 1HE2 GLN 82 3.171 -14.057 7.354 603 HE22 GLN 82 2HE2 GLN 82 1.715 -13.755 8.284 604 H GLU 83 H GLU 83 1.848 -14.120 1.371 605 HA GLU 83 HA GLU 83 4.408 -12.795 0.574 606 HB2 GLU 83 1HB GLU 83 2.092 -13.889 -1.063 607 HB3 GLU 83 2HB GLU 83 2.971 -12.489 -1.643 608 HG2 GLU 83 1HG GLU 83 5.077 -13.724 -1.567 609 HG3 GLU 83 2HG GLU 83 4.201 -15.199 -1.084 610 H TYR 84 H TYR 84 4.395 -10.694 0.666 611 HA TYR 84 HA TYR 84 1.825 -9.155 0.955 612 HD1 TYR 84 HD1 TYR 84 4.384 -10.903 3.438 613 HD2 TYR 84 HD2 TYR 84 1.277 -7.915 3.636 614 HE1 TYR 84 HE1 TYR 84 3.412 -12.054 5.433 615 HE2 TYR 84 HE2 TYR 84 0.387 -8.973 5.692 616 HH TYR 84 HH TYR 84 0.609 -10.680 7.213 617 HB2 TYR 84 1HB TYR 84 4.567 -8.700 2.175 618 HB3 TYR 84 2HB TYR 84 3.247 -7.554 2.230 619 H THR 85 H THR 85 1.556 -7.610 -0.635 620 HA THR 85 HA THR 85 3.994 -6.436 -1.850 621 HB THR 85 HB THR 85 3.557 -6.841 -4.021 622 HG1 THR 85 HG1 THR 85 0.865 -7.613 -3.534 623 HG21 THR 85 3HG2 THR 85 2.912 -9.163 -4.469 624 HG22 THR 85 1HG2 THR 85 2.167 -9.315 -2.862 625 HG23 THR 85 2HG2 THR 85 3.921 -9.108 -3.022 626 H MET 86 H MET 86 3.784 -4.340 -2.368 627 HA MET 86 HA MET 86 1.144 -2.951 -2.183 628 HB2 MET 86 1HB MET 86 2.112 -2.748 -0.025 629 HB3 MET 86 2HB MET 86 3.694 -2.267 -0.680 630 HG2 MET 86 1HG MET 86 2.585 -0.213 -1.590 631 HG3 MET 86 2HG MET 86 1.075 -0.738 -0.834 632 HE1 MET 86 3HE MET 86 4.334 1.350 -0.416 633 HE2 MET 86 1HE MET 86 4.871 0.905 1.222 634 HE3 MET 86 2HE MET 86 4.877 -0.302 -0.086 635 H LEU 87 H LEU 87 0.946 -1.259 -3.426 636 HA LEU 87 HA LEU 87 3.134 -0.162 -5.117 637 HG LEU 87 HG LEU 87 1.972 0.538 -7.447 638 HB2 LEU 87 1HB LEU 87 2.139 -2.215 -6.287 639 HB3 LEU 87 2HB LEU 87 0.603 -1.373 -6.288 640 HD11 LEU 87 1HD1 LEU 87 3.764 -0.271 -8.876 641 HD12 LEU 87 2HD1 LEU 87 3.541 -1.930 -8.256 642 HD13 LEU 87 3HD1 LEU 87 4.124 -0.652 -7.180 643 HD21 LEU 87 3HD2 LEU 87 1.153 -1.988 -8.930 644 HD22 LEU 87 1HD2 LEU 87 1.410 -0.383 -9.662 645 HD23 LEU 87 2HD2 LEU 87 0.089 -0.629 -8.505 646 H CYS 88 H CYS 88 2.851 1.892 -4.443 647 HA CYS 88 HA CYS 88 0.340 3.317 -5.046 648 HB2 CYS 88 1HB CYS 88 0.250 2.852 -2.640 649 HB3 CYS 88 2HB CYS 88 1.884 3.416 -2.440 650 H LEU 89 H LEU 89 0.713 5.282 -5.932 651 HA LEU 89 HA LEU 89 3.281 6.061 -6.953 652 HG LEU 89 HG LEU 89 2.331 9.242 -6.814 653 HB2 LEU 89 1HB LEU 89 1.267 6.697 -8.104 654 HB3 LEU 89 2HB LEU 89 0.605 7.465 -6.668 655 HD11 LEU 89 1HD1 LEU 89 3.651 9.544 -8.788 656 HD12 LEU 89 2HD1 LEU 89 3.019 8.048 -9.516 657 HD13 LEU 89 3HD1 LEU 89 4.056 7.961 -8.081 658 HD21 LEU 89 3HD2 LEU 89 0.735 8.855 -9.375 659 HD22 LEU 89 1HD2 LEU 89 1.491 10.368 -8.852 660 HD23 LEU 89 2HD2 LEU 89 0.170 9.672 -7.892 661 H LEU 90 H LEU 90 1.610 6.884 -3.954 662 HA LEU 90 HA LEU 90 3.682 8.901 -3.214 663 HG LEU 90 HG LEU 90 2.402 8.638 -0.158 664 HB2 LEU 90 1HB LEU 90 1.388 9.602 -2.891 665 HB3 LEU 90 2HB LEU 90 0.964 8.095 -2.106 666 HD11 LEU 90 1HD1 LEU 90 2.857 11.337 -1.461 667 HD12 LEU 90 2HD1 LEU 90 4.077 10.039 -1.387 668 HD13 LEU 90 3HD1 LEU 90 3.453 10.733 0.095 669 HD21 LEU 90 3HD2 LEU 90 0.466 10.858 -0.903 670 HD22 LEU 90 1HD2 LEU 90 1.070 10.476 0.734 671 HD23 LEU 90 2HD2 LEU 90 0.062 9.306 -0.136 672 H CYS 91 H CYS 91 1.908 6.202 -1.598 673 HA CYS 91 HA CYS 91 3.745 6.080 0.478 674 HB2 CYS 91 1HB CYS 91 1.705 4.059 -0.468 675 HB3 CYS 91 2HB CYS 91 2.488 3.988 1.103 676 H GLY 92 H GLY 92 3.663 4.170 -2.499 677 HA2 GLY 92 1HA GLY 92 6.043 3.797 -3.267 678 HA3 GLY 92 2HA GLY 92 6.324 3.022 -1.729 679 H LYS 93 H LYS 93 7.150 1.735 -3.761 680 HA LYS 93 HA LYS 93 5.231 -0.509 -4.164 681 HB2 LYS 93 1HB LYS 93 5.773 0.408 -6.284 682 HB3 LYS 93 2HB LYS 93 7.470 0.499 -5.910 683 HG2 LYS 93 1HG LYS 93 7.602 -2.020 -5.819 684 HG3 LYS 93 2HG LYS 93 5.877 -2.095 -6.165 685 HD2 LYS 93 1HD LYS 93 7.084 -2.551 -8.197 686 HD3 LYS 93 2HD LYS 93 6.285 -0.983 -8.376 687 HE2 LYS 93 1HE LYS 93 8.427 0.168 -7.841 688 HE3 LYS 93 2HE LYS 93 9.216 -1.406 -7.644 689 HZ1 LYS 93 3HZ LYS 93 8.002 -0.417 -10.173 690 HZ2 LYS 93 1HZ LYS 93 8.738 -1.866 -9.989 691 HZ3 LYS 93 2HZ LYS 93 9.602 -0.489 -9.861 692 H ALA 94 H ALA 94 5.593 -2.158 -2.927 693 HA ALA 94 HA ALA 94 8.340 -3.014 -2.342 694 HB1 ALA 94 3HB ALA 94 6.250 -2.388 -0.205 695 HB2 ALA 94 1HB ALA 94 7.850 -3.084 0.109 696 HB3 ALA 94 2HB ALA 94 7.712 -1.428 -0.515 697 H GLU 95 H GLU 95 8.542 -5.163 -1.408 698 HA GLU 95 HA GLU 95 6.180 -6.885 -1.340 699 HB2 GLU 95 1HB GLU 95 6.771 -6.949 -3.713 700 HB3 GLU 95 2HB GLU 95 8.462 -7.279 -3.312 701 HG2 GLU 95 1HG GLU 95 7.857 -9.485 -2.414 702 HG3 GLU 95 2HG GLU 95 6.150 -9.159 -2.709 703 H ASP 96 H ASP 96 6.397 -8.577 0.027 704 HA ASP 96 HA ASP 96 9.035 -9.360 1.081 705 HB2 ASP 96 1HB ASP 96 7.909 -7.552 2.586 706 HB3 ASP 96 2HB ASP 96 6.685 -8.754 2.925 707 H THR 97 H THR 97 9.037 -11.489 2.048 708 HA THR 97 HA THR 97 6.499 -12.985 1.922 709 HB THR 97 HB THR 97 8.964 -14.397 0.957 710 HG1 THR 97 HG1 THR 97 8.716 -12.658 -0.463 711 HG21 THR 97 3HG2 THR 97 7.290 -15.801 -0.196 712 HG22 THR 97 1HG2 THR 97 6.001 -14.713 0.371 713 HG23 THR 97 2HG2 THR 97 6.905 -15.691 1.536 714 H ILE 98 H ILE 98 6.175 -14.337 3.611 715 HA ILE 98 HA ILE 98 8.411 -14.740 5.579 716 HB ILE 98 HB ILE 98 5.494 -14.565 6.317 717 HG12 ILE 98 1HG1 ILE 98 7.441 -12.236 6.139 718 HG13 ILE 98 2HG1 ILE 98 5.904 -12.428 5.275 719 HG21 ILE 98 1HG2 ILE 98 6.355 -14.180 8.561 720 HG22 ILE 98 2HG2 ILE 98 7.119 -15.608 7.889 721 HG23 ILE 98 3HG2 ILE 98 8.016 -14.069 7.932 722 HD11 ILE 98 3HD1 ILE 98 4.711 -12.326 7.498 723 HD12 ILE 98 1HD1 ILE 98 6.268 -11.891 8.244 724 HD13 ILE 98 2HD1 ILE 98 5.550 -10.836 7.020 725 H SER 99 H SER 99 8.826 -16.846 6.057 726 HA SER 99 HA SER 99 6.982 -18.956 5.108 727 HG SER 99 HG SER 99 10.802 -19.535 6.357 728 HB2 SER 99 1HB SER 99 8.743 -20.512 5.910 729 HB3 SER 99 2HB SER 99 9.254 -19.374 4.654 730 H ILE 100 H ILE 100 5.638 -20.151 6.368 731 HA ILE 100 HA ILE 100 5.701 -19.770 9.308 732 HB ILE 100 HB ILE 100 3.259 -19.391 9.349 733 HG12 ILE 100 1HG1 ILE 100 2.171 -18.386 7.338 734 HG13 ILE 100 2HG1 ILE 100 3.476 -18.990 6.331 735 HG21 ILE 100 1HG2 ILE 100 4.740 -17.258 7.778 736 HG22 ILE 100 2HG2 ILE 100 3.378 -17.045 8.895 737 HG23 ILE 100 3HG2 ILE 100 4.953 -17.571 9.512 738 HD11 ILE 100 3HD1 ILE 100 2.790 -21.319 6.861 739 HD12 ILE 100 1HD1 ILE 100 1.570 -20.702 7.999 740 HD13 ILE 100 2HD1 ILE 100 1.420 -20.383 6.259 741 H LEU 101 H LEU 101 3.792 -21.136 10.300 742 HA LEU 101 HA LEU 101 3.703 -23.898 9.218 743 HG LEU 101 HG LEU 101 6.499 -23.206 10.226 744 HB2 LEU 101 1HB LEU 101 4.675 -22.831 11.893 745 HB3 LEU 101 2HB LEU 101 4.184 -24.509 11.727 746 HD11 LEU 101 1HD1 LEU 101 6.463 -25.199 12.531 747 HD12 LEU 101 2HD1 LEU 101 6.913 -23.483 12.642 748 HD13 LEU 101 3HD1 LEU 101 7.905 -24.593 11.685 749 HD21 LEU 101 3HD2 LEU 101 5.570 -26.116 10.338 750 HD22 LEU 101 1HD2 LEU 101 7.091 -25.547 9.618 751 HD23 LEU 101 2HD2 LEU 101 5.553 -25.061 8.905 752 HA PRO 102 HA PRO 102 -0.517 -23.725 10.582 753 HB2 PRO 102 1HB PRO 102 -1.011 -26.187 11.742 754 HB3 PRO 102 2HB PRO 102 -0.859 -25.897 9.983 755 HG2 PRO 102 1HG PRO 102 1.278 -26.865 11.904 756 HG3 PRO 102 2HG PRO 102 0.835 -27.544 10.304 757 HD2 PRO 102 1HD PRO 102 2.940 -25.883 10.568 758 HD3 PRO 102 2HD PRO 102 1.857 -25.734 9.157 759 H ASP 103 H ASP 103 1.947 -24.223 12.972 760 HA ASP 103 HA ASP 103 0.308 -23.835 15.343 761 HB2 ASP 103 1HB ASP 103 2.507 -25.081 15.191 762 HB3 ASP 103 2HB ASP 103 3.312 -23.531 14.943 763 H ASP 104 H ASP 104 1.062 -21.711 12.898 764 HA ASP 104 HA ASP 104 1.232 -19.511 12.575 765 HB2 ASP 104 1HB ASP 104 -1.081 -19.781 13.339 766 HB3 ASP 104 2HB ASP 104 -0.597 -19.348 14.979 767 HA PRO 105 HA PRO 105 4.466 -18.574 15.834 768 HB2 PRO 105 1HB PRO 105 6.756 -19.008 14.436 769 HB3 PRO 105 2HB PRO 105 5.854 -20.343 15.214 770 HG2 PRO 105 1HG PRO 105 5.724 -19.463 12.307 771 HG3 PRO 105 2HG PRO 105 5.967 -21.116 12.955 772 HD2 PRO 105 1HD PRO 105 3.497 -20.191 12.198 773 HD3 PRO 105 2HD PRO 105 3.713 -21.309 13.578 774 H ARG 106 H ARG 106 3.921 -17.697 12.504 775 HA ARG 106 HA ARG 106 4.522 -15.933 11.154 776 HE ARG 106 HE ARG 106 0.461 -15.269 13.455 777 HB2 ARG 106 1HB ARG 106 3.276 -13.939 11.798 778 HB3 ARG 106 2HB ARG 106 2.378 -15.432 12.015 779 HG2 ARG 106 1HG ARG 106 2.725 -15.350 14.458 780 HG3 ARG 106 2HG ARG 106 3.749 -13.918 14.277 781 HD2 ARG 106 1HD ARG 106 1.591 -13.180 14.975 782 HD3 ARG 106 2HD ARG 106 1.804 -12.700 13.284 783 HH11 ARG 106 1HH1 ARG 106 -0.198 -11.827 13.737 784 HH12 ARG 106 2HH1 ARG 106 -1.908 -12.052 13.480 785 HH21 ARG 106 1HH2 ARG 106 -1.710 -15.488 13.382 786 HH22 ARG 106 2HH2 ARG 106 -2.742 -14.081 13.221 787 H GLN 107 H GLN 107 6.836 -16.593 12.336 788 HA GLN 107 HA GLN 107 8.920 -15.905 13.019 789 HB2 GLN 107 1HB GLN 107 8.334 -13.879 10.825 790 HB3 GLN 107 2HB GLN 107 9.937 -14.305 11.415 791 HG2 GLN 107 1HG GLN 107 7.992 -16.182 10.006 792 HG3 GLN 107 2HG GLN 107 9.401 -15.426 9.283 793 HE21 GLN 107 1HE2 GLN 107 8.860 -18.283 9.420 794 HE22 GLN 107 2HE2 GLN 107 10.189 -18.977 10.354 Start of MODEL 3 1 HA CYS 2 HA CYS 2 -1.224 14.957 -10.714 2 H1 CYS 2 1H CYS 2 -1.115 15.668 -7.955 3 HB2 CYS 2 1HB CYS 2 -0.064 17.368 -10.744 4 HB3 CYS 2 2HB CYS 2 -1.767 17.119 -10.488 5 H GLY 3 H GLY 3 0.756 13.684 -8.714 6 HA2 GLY 3 1HA GLY 3 2.718 12.485 -8.934 7 HA3 GLY 3 2HA GLY 3 2.930 13.068 -10.577 8 H ASP 4 H ASP 4 2.774 15.937 -9.784 9 HA ASP 4 HA ASP 4 5.497 16.423 -8.834 10 HB2 ASP 4 1HB ASP 4 3.082 18.177 -9.373 11 HB3 ASP 4 2HB ASP 4 4.544 18.819 -8.624 12 H CYS 5 H CYS 5 2.455 15.742 -7.308 13 HA CYS 5 HA CYS 5 2.755 16.916 -4.782 14 HB2 CYS 5 1HB CYS 5 1.436 14.258 -5.541 15 HB3 CYS 5 2HB CYS 5 1.251 15.073 -4.028 16 H VAL 6 H VAL 6 4.340 14.082 -6.181 17 HA VAL 6 HA VAL 6 5.332 13.171 -3.504 18 HB VAL 6 HB VAL 6 5.620 11.021 -4.366 19 HG11 VAL 6 1HG1 VAL 6 2.858 12.026 -5.163 20 HG12 VAL 6 2HG1 VAL 6 3.298 10.365 -4.775 21 HG13 VAL 6 3HG1 VAL 6 3.387 11.610 -3.522 22 HG21 VAL 6 3HG2 VAL 6 6.162 11.470 -6.781 23 HG22 VAL 6 1HG2 VAL 6 4.948 10.218 -6.530 24 HG23 VAL 6 2HG2 VAL 6 4.439 11.830 -7.043 25 H GLU 7 H GLU 7 7.530 13.015 -3.101 26 HA GLU 7 HA GLU 7 9.415 14.442 -4.731 27 HB2 GLU 7 1HB GLU 7 9.706 14.361 -2.363 28 HB3 GLU 7 2HB GLU 7 9.739 12.612 -2.318 29 HG2 GLU 7 1HG GLU 7 11.865 12.533 -3.404 30 HG3 GLU 7 2HG GLU 7 11.818 14.264 -3.779 31 H LYS 8 H LYS 8 8.675 10.987 -4.389 32 HA LYS 8 HA LYS 8 10.049 10.401 -6.973 33 HB2 LYS 8 1HB LYS 8 10.285 8.817 -4.370 34 HB3 LYS 8 2HB LYS 8 10.721 8.172 -5.957 35 HG2 LYS 8 1HG LYS 8 12.397 9.996 -6.232 36 HG3 LYS 8 2HG LYS 8 12.008 10.577 -4.601 37 HD2 LYS 8 1HD LYS 8 12.647 8.351 -3.674 38 HD3 LYS 8 2HD LYS 8 13.139 7.825 -5.288 39 HE2 LYS 8 1HE LYS 8 14.307 10.206 -3.765 40 HE3 LYS 8 2HE LYS 8 15.021 8.593 -3.805 41 HZ1 LYS 8 3HZ LYS 8 16.062 10.020 -5.445 42 HZ2 LYS 8 1HZ LYS 8 14.644 10.340 -6.180 43 HZ3 LYS 8 2HZ LYS 8 15.269 8.827 -6.222 44 H GLU 9 H GLU 9 8.985 8.911 -8.218 45 HA GLU 9 HA GLU 9 6.172 8.296 -7.568 46 HB2 GLU 9 1HB GLU 9 7.995 7.865 -9.968 47 HB3 GLU 9 2HB GLU 9 6.405 7.107 -9.885 48 HG2 GLU 9 1HG GLU 9 5.249 8.995 -10.203 49 HG3 GLU 9 2HG GLU 9 6.394 10.035 -9.357 50 H TYR 10 H TYR 10 5.554 6.456 -6.570 51 HA TYR 10 HA TYR 10 5.700 4.462 -5.471 52 HD1 TYR 10 HD1 TYR 10 5.270 5.407 -9.198 53 HD2 TYR 10 HD2 TYR 10 3.697 2.050 -6.962 54 HE1 TYR 10 HE1 TYR 10 3.059 5.797 -10.186 55 HE2 TYR 10 HE2 TYR 10 1.445 2.490 -7.929 56 HH TYR 10 HH TYR 10 0.205 3.759 -9.381 57 HB2 TYR 10 1HB TYR 10 6.766 3.467 -8.120 58 HB3 TYR 10 2HB TYR 10 6.003 2.523 -6.873 59 HA PRO 11 HA PRO 11 10.286 4.818 -4.562 60 HB2 PRO 11 1HB PRO 11 10.019 5.510 -1.909 61 HB3 PRO 11 2HB PRO 11 9.974 6.716 -3.250 62 HG2 PRO 11 1HG PRO 11 7.617 5.391 -1.877 63 HG3 PRO 11 2HG PRO 11 7.928 7.137 -2.112 64 HD2 PRO 11 1HD PRO 11 6.373 5.815 -3.844 65 HD3 PRO 11 2HD PRO 11 7.591 6.932 -4.490 66 H ASN 12 H ASN 12 11.493 3.080 -3.552 67 HA ASN 12 HA ASN 12 9.851 0.823 -2.630 68 HB2 ASN 12 1HB ASN 12 12.887 1.177 -2.773 69 HB3 ASN 12 2HB ASN 12 12.045 -0.324 -2.392 70 HD21 ASN 12 1HD2 ASN 12 10.083 -0.644 -4.257 71 HD22 ASN 12 2HD2 ASN 12 10.804 -0.609 -5.863 72 H ARG 13 H ARG 13 9.731 -0.007 -0.545 73 HA ARG 13 HA ARG 13 10.643 1.835 1.643 74 HE ARG 13 HE ARG 13 8.395 4.199 3.086 75 HB2 ARG 13 1HB ARG 13 8.050 0.259 1.538 76 HB3 ARG 13 2HB ARG 13 8.567 1.370 2.800 77 HG2 ARG 13 1HG ARG 13 7.689 2.046 -0.002 78 HG3 ARG 13 2HG ARG 13 6.920 2.451 1.527 79 HD2 ARG 13 1HD ARG 13 9.400 3.680 0.305 80 HD3 ARG 13 2HD ARG 13 7.891 4.454 0.694 81 HH11 ARG 13 1HH1 ARG 13 11.208 3.957 0.954 82 HH12 ARG 13 2HH1 ARG 13 12.265 4.578 2.191 83 HH21 ARG 13 1HH2 ARG 13 9.857 4.811 4.619 84 HH22 ARG 13 2HH2 ARG 13 11.537 4.983 4.209 85 H GLY 14 H GLY 14 12.126 -0.430 0.743 86 HA2 GLY 14 1HA GLY 14 13.336 -2.195 1.661 87 HA3 GLY 14 2HA GLY 14 13.010 -1.448 3.232 88 H ASN 15 H ASN 15 10.739 -2.817 0.928 89 HA ASN 15 HA ASN 15 9.360 -4.546 0.828 90 HB2 ASN 15 1HB ASN 15 10.686 -5.797 3.268 91 HB3 ASN 15 2HB ASN 15 9.628 -6.554 2.113 92 HD21 ASN 15 1HD2 ASN 15 11.373 -8.126 2.176 93 HD22 ASN 15 2HD2 ASN 15 12.682 -7.903 1.001 94 H THR 16 H THR 16 8.895 -2.133 2.838 95 HA THR 16 HA THR 16 6.937 -3.194 4.736 96 HB THR 16 HB THR 16 7.518 -0.357 3.800 97 HG1 THR 16 HG1 THR 16 9.241 -1.015 4.858 98 HG21 THR 16 3HG2 THR 16 5.341 -0.289 4.774 99 HG22 THR 16 1HG2 THR 16 6.470 0.297 5.992 100 HG23 THR 16 2HG2 THR 16 5.833 -1.359 6.118 101 H CYS 17 H CYS 17 4.885 -3.892 4.139 102 HA CYS 17 HA CYS 17 3.512 -2.535 1.861 103 HG CYS 17 HG CYS 17 4.503 -6.243 0.535 104 HB2 CYS 17 1HB CYS 17 3.404 -5.439 2.744 105 HB3 CYS 17 2HB CYS 17 2.460 -4.729 1.424 106 H LEU 18 H LEU 18 1.995 -1.243 2.693 107 HA LEU 18 HA LEU 18 0.373 -2.044 5.087 108 HG LEU 18 HG LEU 18 1.012 -0.334 7.052 109 HB2 LEU 18 1HB LEU 18 1.701 0.507 4.223 110 HB3 LEU 18 2HB LEU 18 0.189 0.627 5.078 111 HD11 LEU 18 1HD1 LEU 18 2.352 -2.172 6.432 112 HD12 LEU 18 2HD1 LEU 18 3.442 -1.063 7.264 113 HD13 LEU 18 3HD1 LEU 18 3.455 -1.154 5.483 114 HD21 LEU 18 3HD2 LEU 18 3.199 1.455 5.912 115 HD22 LEU 18 1HD2 LEU 18 2.826 1.199 7.633 116 HD23 LEU 18 2HD2 LEU 18 1.652 2.017 6.590 117 H GLU 19 H GLU 19 -1.679 -1.692 5.216 118 HA GLU 19 HA GLU 19 -3.270 -1.220 2.752 119 HB2 GLU 19 1HB GLU 19 -5.064 -2.271 3.937 120 HB3 GLU 19 2HB GLU 19 -3.670 -3.302 4.068 121 HG2 GLU 19 1HG GLU 19 -4.566 -1.413 6.277 122 HG3 GLU 19 2HG GLU 19 -5.143 -3.061 6.101 123 H ASN 20 H ASN 20 -2.159 0.643 5.308 124 HA ASN 20 HA ASN 20 -4.339 2.638 4.975 125 HB2 ASN 20 1HB ASN 20 -3.487 1.346 7.600 126 HB3 ASN 20 2HB ASN 20 -4.189 2.953 7.571 127 HD21 ASN 20 1HD2 ASN 20 -5.112 0.079 8.468 128 HD22 ASN 20 2HD2 ASN 20 -6.774 0.097 7.903 129 H GLY 21 H GLY 21 -3.784 4.766 5.626 130 HA2 GLY 21 1HA GLY 21 -2.292 6.363 6.646 131 HA3 GLY 21 2HA GLY 21 -0.914 5.364 6.217 132 H SER 22 H SER 22 -0.333 7.637 5.627 133 HA SER 22 HA SER 22 -0.375 8.007 2.702 134 HG SER 22 HG SER 22 -2.926 8.912 3.796 135 HB2 SER 22 1HB SER 22 -1.225 10.183 4.669 136 HB3 SER 22 2HB SER 22 -0.684 10.490 3.020 137 H PHE 23 H PHE 23 1.766 8.082 2.224 138 HA PHE 23 HA PHE 23 3.701 8.431 4.291 139 HD1 PHE 23 HD1 PHE 23 5.673 7.935 4.749 140 HD2 PHE 23 HD2 PHE 23 6.191 7.224 0.524 141 HE1 PHE 23 HE1 PHE 23 8.093 7.640 5.089 142 HE2 PHE 23 HE2 PHE 23 8.632 6.980 0.866 143 HZ PHE 23 HZ PHE 23 9.604 7.306 3.150 144 HB2 PHE 23 1HB PHE 23 3.801 6.824 2.428 145 HB3 PHE 23 2HB PHE 23 4.120 8.136 1.313 146 H LEU 24 H LEU 24 3.269 10.541 5.024 147 HA LEU 24 HA LEU 24 3.531 12.905 3.673 148 HG LEU 24 HG LEU 24 2.212 11.567 6.466 149 HB2 LEU 24 1HB LEU 24 4.468 12.422 6.523 150 HB3 LEU 24 2HB LEU 24 3.980 13.957 5.824 151 HD11 LEU 24 1HD1 LEU 24 2.835 13.044 8.342 152 HD12 LEU 24 2HD1 LEU 24 1.104 13.138 7.974 153 HD13 LEU 24 3HD1 LEU 24 2.191 14.445 7.454 154 HD21 LEU 24 3HD2 LEU 24 1.422 14.137 5.031 155 HD22 LEU 24 1HD2 LEU 24 0.287 12.944 5.706 156 HD23 LEU 24 2HD2 LEU 24 1.339 12.483 4.373 157 H LEU 25 H LEU 25 6.263 10.930 4.655 158 HA LEU 25 HA LEU 25 8.283 12.990 4.286 159 HG LEU 25 HG LEU 25 7.859 10.879 6.570 160 HB2 LEU 25 1HB LEU 25 8.459 9.968 4.362 161 HB3 LEU 25 2HB LEU 25 9.860 11.000 4.268 162 HD11 LEU 25 1HD1 LEU 25 9.764 9.997 7.842 163 HD12 LEU 25 2HD1 LEU 25 10.805 10.113 6.404 164 HD13 LEU 25 3HD1 LEU 25 9.439 8.977 6.435 165 HD21 LEU 25 3HD2 LEU 25 9.468 12.369 7.775 166 HD22 LEU 25 1HD2 LEU 25 8.663 13.181 6.434 167 HD23 LEU 25 2HD2 LEU 25 10.343 12.620 6.248 168 H ASN 26 H ASN 26 6.518 11.044 1.992 169 HA ASN 26 HA ASN 26 8.466 11.752 -0.190 170 HB2 ASN 26 1HB ASN 26 7.700 9.381 0.020 171 HB3 ASN 26 2HB ASN 26 6.046 9.896 -0.248 172 HD21 ASN 26 1HD2 ASN 26 5.872 8.686 -2.272 173 HD22 ASN 26 2HD2 ASN 26 6.776 9.218 -3.697 174 H PHE 27 H PHE 27 5.152 12.249 1.030 175 HA PHE 27 HA PHE 27 4.252 13.808 -1.219 176 HD1 PHE 27 HD1 PHE 27 2.093 14.375 -1.881 177 HD2 PHE 27 HD2 PHE 27 1.928 15.697 2.210 178 HE1 PHE 27 HE1 PHE 27 0.285 16.021 -2.494 179 HE2 PHE 27 HE2 PHE 27 0.167 17.346 1.591 180 HZ PHE 27 HZ PHE 27 -0.677 17.463 -0.733 181 HB2 PHE 27 1HB PHE 27 2.711 12.856 0.437 182 HB3 PHE 27 2HB PHE 27 3.346 13.919 1.673 183 H THR 28 H THR 28 5.265 15.582 -1.906 184 HA THR 28 HA THR 28 6.658 17.417 0.002 185 HB THR 28 HB THR 28 7.424 18.530 -2.193 186 HG1 THR 28 HG1 THR 28 6.042 17.588 -3.671 187 HG21 THR 28 3HG2 THR 28 8.189 15.678 -1.496 188 HG22 THR 28 1HG2 THR 28 8.898 17.168 -0.842 189 HG23 THR 28 2HG2 THR 28 9.134 16.760 -2.552 190 H GLY 29 H GLY 29 3.596 17.108 -0.816 191 HA2 GLY 29 1HA GLY 29 1.880 18.641 -0.346 192 HA3 GLY 29 2HA GLY 29 2.933 20.007 -0.653 193 H CYS 30 H CYS 30 0.328 19.463 -1.779 194 HA CYS 30 HA CYS 30 0.223 18.339 -4.297 195 HB2 CYS 30 1HB CYS 30 -1.620 19.262 -2.701 196 HB3 CYS 30 2HB CYS 30 -1.334 20.805 -3.458 197 H ALA 31 H ALA 31 -0.383 19.448 -6.247 198 HA ALA 31 HA ALA 31 1.166 21.926 -6.801 199 HB1 ALA 31 3HB ALA 31 1.096 19.887 -8.975 200 HB2 ALA 31 1HB ALA 31 2.207 21.225 -8.715 201 HB3 ALA 31 2HB ALA 31 2.330 19.771 -7.679 202 H VAL 32 H VAL 32 -1.869 20.330 -6.985 203 HA VAL 32 HA VAL 32 -2.892 22.021 -9.132 204 HB VAL 32 HB VAL 32 -4.241 20.227 -7.080 205 HG11 VAL 32 1HG1 VAL 32 -5.705 21.946 -9.127 206 HG12 VAL 32 2HG1 VAL 32 -6.417 20.640 -8.137 207 HG13 VAL 32 3HG1 VAL 32 -5.810 22.098 -7.357 208 HG21 VAL 32 3HG2 VAL 32 -3.267 19.146 -9.082 209 HG22 VAL 32 1HG2 VAL 32 -5.025 19.004 -9.058 210 HG23 VAL 32 2HG2 VAL 32 -4.242 20.192 -10.133 211 H CYS 33 H CYS 33 -2.643 22.139 -5.607 212 HA CYS 33 HA CYS 33 -3.478 25.004 -5.614 213 HB2 CYS 33 1HB CYS 33 -4.551 24.615 -3.523 214 HB3 CYS 33 2HB CYS 33 -5.202 23.475 -4.713 215 H SER 34 H SER 34 -1.037 22.777 -4.588 216 HA SER 34 HA SER 34 1.040 23.133 -3.732 217 HG SER 34 HG SER 34 2.547 25.039 -2.512 218 HB2 SER 34 1HB SER 34 0.777 25.487 -4.692 219 HB3 SER 34 2HB SER 34 0.524 25.997 -3.013 220 H LYS 35 H LYS 35 -1.469 22.526 -1.914 221 HA LYS 35 HA LYS 35 -0.493 23.387 0.762 222 HB2 LYS 35 1HB LYS 35 -2.823 21.731 -0.241 223 HB3 LYS 35 2HB LYS 35 -2.409 21.817 1.460 224 HG2 LYS 35 1HG LYS 35 -2.437 24.527 0.382 225 HG3 LYS 35 2HG LYS 35 -3.931 23.699 -0.060 226 HD2 LYS 35 1HD LYS 35 -4.327 23.060 2.254 227 HD3 LYS 35 2HD LYS 35 -2.803 23.811 2.761 228 HE2 LYS 35 1HE LYS 35 -5.180 25.273 1.495 229 HE3 LYS 35 2HE LYS 35 -4.890 25.160 3.232 230 HZ1 LYS 35 3HZ LYS 35 -4.031 27.238 2.366 231 HZ2 LYS 35 1HZ LYS 35 -3.069 26.481 1.292 232 HZ3 LYS 35 2HZ LYS 35 -2.779 26.339 2.897 233 H ARG 36 H ARG 36 0.359 22.106 2.359 234 HA ARG 36 HA ARG 36 1.169 19.299 1.702 235 HE ARG 36 HE ARG 36 5.265 17.255 2.251 236 HB2 ARG 36 1HB ARG 36 3.063 20.914 1.656 237 HB3 ARG 36 2HB ARG 36 2.825 21.157 3.397 238 HG2 ARG 36 1HG ARG 36 3.367 18.868 3.888 239 HG3 ARG 36 2HG ARG 36 3.133 18.371 2.198 240 HD2 ARG 36 1HD ARG 36 5.082 19.715 1.555 241 HD3 ARG 36 2HD ARG 36 5.373 20.097 3.265 242 HH11 ARG 36 1HH1 ARG 36 7.216 19.646 3.922 243 HH12 ARG 36 2HH1 ARG 36 8.343 18.433 4.466 244 HH21 ARG 36 1HH2 ARG 36 6.618 15.802 3.036 245 HH22 ARG 36 2HH2 ARG 36 8.025 16.299 3.945 246 H ASP 37 H ASP 37 1.412 17.912 3.653 247 HA ASP 37 HA ASP 37 0.365 16.779 5.269 248 HB2 ASP 37 1HB ASP 37 0.361 17.668 7.448 249 HB3 ASP 37 2HB ASP 37 1.834 18.077 6.594 250 H PHE 38 H PHE 38 -1.317 17.895 3.380 251 HA PHE 38 HA PHE 38 -3.998 17.942 4.681 252 HD1 PHE 38 HD1 PHE 38 -2.443 20.280 5.411 253 HD2 PHE 38 HD2 PHE 38 -5.912 20.855 2.919 254 HE1 PHE 38 HE1 PHE 38 -3.156 22.174 6.833 255 HE2 PHE 38 HE2 PHE 38 -6.613 22.767 4.323 256 HZ PHE 38 HZ PHE 38 -5.239 23.430 6.299 257 HB2 PHE 38 1HB PHE 38 -2.810 19.652 2.542 258 HB3 PHE 38 2HB PHE 38 -4.473 19.171 2.361 259 H MET 39 H MET 39 -4.553 15.855 4.485 260 HA MET 39 HA MET 39 -5.402 15.011 1.878 261 HB2 MET 39 1HB MET 39 -4.244 12.728 1.959 262 HB3 MET 39 2HB MET 39 -3.357 14.098 1.372 263 HG2 MET 39 1HG MET 39 -2.993 13.781 4.277 264 HG3 MET 39 2HG MET 39 -2.642 12.287 3.428 265 HE1 MET 39 3HE MET 39 -1.256 13.502 0.549 266 HE2 MET 39 1HE MET 39 0.349 13.077 1.174 267 HE3 MET 39 2HE MET 39 -1.036 12.021 1.504 268 H LEU 40 H LEU 40 -6.710 13.373 1.716 269 HA LEU 40 HA LEU 40 -8.026 12.065 4.056 270 HG LEU 40 HG LEU 40 -10.518 14.736 3.100 271 HB2 LEU 40 1HB LEU 40 -9.095 13.659 1.703 272 HB3 LEU 40 2HB LEU 40 -10.021 12.323 2.256 273 HD11 LEU 40 1HD1 LEU 40 -10.533 12.303 4.958 274 HD12 LEU 40 2HD1 LEU 40 -11.768 12.684 3.738 275 HD13 LEU 40 3HD1 LEU 40 -11.555 13.747 5.133 276 HD21 LEU 40 3HD2 LEU 40 -9.696 15.222 5.313 277 HD22 LEU 40 1HD2 LEU 40 -8.368 15.192 4.132 278 HD23 LEU 40 2HD2 LEU 40 -8.604 13.834 5.260 279 H ILE 41 H ILE 41 -9.259 10.140 3.336 280 HA ILE 41 HA ILE 41 -8.193 8.718 0.939 281 HB ILE 41 HB ILE 41 -8.529 7.712 3.785 282 HG12 ILE 41 1HG1 ILE 41 -6.146 7.545 1.876 283 HG13 ILE 41 2HG1 ILE 41 -6.344 8.780 3.117 284 HG21 ILE 41 1HG2 ILE 41 -9.572 6.002 2.358 285 HG22 ILE 41 2HG2 ILE 41 -8.190 6.037 1.247 286 HG23 ILE 41 3HG2 ILE 41 -8.021 5.407 2.895 287 HD11 ILE 41 3HD1 ILE 41 -6.395 6.982 4.870 288 HD12 ILE 41 1HD1 ILE 41 -5.944 5.811 3.605 289 HD13 ILE 41 2HD1 ILE 41 -4.861 7.151 4.002 290 H THR 42 H THR 42 -9.776 7.863 -0.281 291 HA THR 42 HA THR 42 -12.457 7.378 0.838 292 HB THR 42 HB THR 42 -12.232 9.832 -0.074 293 HG1 THR 42 HG1 THR 42 -14.421 9.668 -0.548 294 HG21 THR 42 3HG2 THR 42 -12.610 10.213 -2.337 295 HG22 THR 42 1HG2 THR 42 -13.223 8.580 -2.645 296 HG23 THR 42 2HG2 THR 42 -11.486 8.836 -2.430 297 H ASN 43 H ASN 43 -13.917 6.444 -0.880 298 HA ASN 43 HA ASN 43 -14.460 4.682 -2.130 299 HB2 ASN 43 1HB ASN 43 -14.194 5.174 -4.262 300 HB3 ASN 43 2HB ASN 43 -13.189 6.516 -3.725 301 HD21 ASN 43 1HD2 ASN 43 -10.758 5.633 -3.253 302 HD22 ASN 43 2HD2 ASN 43 -10.100 4.871 -4.708 303 H LYS 44 H LYS 44 -12.207 4.288 -0.135 304 HA LYS 44 HA LYS 44 -10.467 2.241 -0.782 305 HB2 LYS 44 1HB LYS 44 -10.669 3.687 1.325 306 HB3 LYS 44 2HB LYS 44 -11.860 2.501 1.891 307 HG2 LYS 44 1HG LYS 44 -10.292 0.939 2.400 308 HG3 LYS 44 2HG LYS 44 -9.372 1.237 0.923 309 HD2 LYS 44 1HD LYS 44 -8.425 3.286 1.929 310 HD3 LYS 44 2HD LYS 44 -9.225 2.915 3.465 311 HE2 LYS 44 1HE LYS 44 -7.348 0.974 2.058 312 HE3 LYS 44 2HE LYS 44 -6.723 2.272 3.068 313 HZ1 LYS 44 3HZ LYS 44 -7.872 1.383 4.950 314 HZ2 LYS 44 1HZ LYS 44 -6.934 0.255 4.287 315 HZ3 LYS 44 2HZ LYS 44 -8.574 0.172 4.059 316 H SER 45 H SER 45 -10.826 0.431 -1.697 317 HA SER 45 HA SER 45 -13.188 -1.235 -0.997 318 HG SER 45 HG SER 45 -13.091 0.493 -3.320 319 HB2 SER 45 1HB SER 45 -11.433 -1.084 -3.494 320 HB3 SER 45 2HB SER 45 -12.657 -2.331 -3.239 321 H LEU 46 H LEU 46 -12.970 -3.479 -0.916 322 HA LEU 46 HA LEU 46 -10.297 -4.602 -0.448 323 HG LEU 46 HG LEU 46 -10.354 -6.614 1.241 324 HB2 LEU 46 1HB LEU 46 -10.906 -3.989 1.740 325 HB3 LEU 46 2HB LEU 46 -12.555 -4.563 1.573 326 HD11 LEU 46 1HD1 LEU 46 -11.196 -5.505 3.957 327 HD12 LEU 46 2HD1 LEU 46 -9.597 -5.309 3.205 328 HD13 LEU 46 3HD1 LEU 46 -10.151 -6.919 3.675 329 HD21 LEU 46 3HD2 LEU 46 -13.023 -6.692 2.707 330 HD22 LEU 46 1HD2 LEU 46 -11.900 -8.052 2.500 331 HD23 LEU 46 2HD2 LEU 46 -12.703 -7.364 1.095 332 H LYS 47 H LYS 47 -10.074 -6.649 -1.090 333 HA LYS 47 HA LYS 47 -12.410 -8.193 -2.082 334 HB2 LYS 47 1HB LYS 47 -10.622 -6.881 -3.773 335 HB3 LYS 47 2HB LYS 47 -9.864 -8.448 -3.577 336 HG2 LYS 47 1HG LYS 47 -12.024 -9.547 -4.197 337 HG3 LYS 47 2HG LYS 47 -12.648 -7.934 -4.622 338 HD2 LYS 47 1HD LYS 47 -10.766 -7.700 -6.271 339 HD3 LYS 47 2HD LYS 47 -10.212 -9.329 -5.825 340 HE2 LYS 47 1HE LYS 47 -12.549 -10.160 -6.463 341 HE3 LYS 47 2HE LYS 47 -12.843 -8.559 -7.157 342 HZ1 LYS 47 3HZ LYS 47 -10.863 -8.964 -8.592 343 HZ2 LYS 47 1HZ LYS 47 -12.023 -10.089 -8.843 344 HZ3 LYS 47 2HZ LYS 47 -10.706 -10.472 -7.951 345 H GLU 48 H GLU 48 -12.187 -10.436 -2.013 346 HA GLU 48 HA GLU 48 -9.661 -11.518 -0.846 347 HB2 GLU 48 1HB GLU 48 -12.409 -12.095 0.304 348 HB3 GLU 48 2HB GLU 48 -10.903 -12.882 0.780 349 HG2 GLU 48 1HG GLU 48 -10.034 -10.697 1.595 350 HG3 GLU 48 2HG GLU 48 -11.568 -9.942 1.169 351 H GLU 49 H GLU 49 -8.998 -13.035 -2.213 352 HA GLU 49 HA GLU 49 -10.950 -14.949 -3.414 353 HB2 GLU 49 1HB GLU 49 -8.478 -13.807 -4.747 354 HB3 GLU 49 2HB GLU 49 -9.401 -15.218 -5.303 355 HG2 GLU 49 1HG GLU 49 -11.444 -13.793 -5.485 356 HG3 GLU 49 2HG GLU 49 -10.506 -12.387 -4.978 357 H ASP 50 H ASP 50 -10.709 -16.937 -2.722 358 HA ASP 50 HA ASP 50 -9.855 -18.813 -1.728 359 HB2 ASP 50 1HB ASP 50 -9.256 -18.663 -4.228 360 HB3 ASP 50 2HB ASP 50 -7.616 -18.280 -3.716 361 H GLY 51 H GLY 51 -8.698 -16.410 -0.342 362 HA2 GLY 51 1HA GLY 51 -7.527 -16.782 1.846 363 HA3 GLY 51 2HA GLY 51 -6.260 -17.641 0.964 364 H GLU 52 H GLU 52 -6.640 -15.507 -1.273 365 HA GLU 52 HA GLU 52 -4.609 -13.633 -0.332 366 HB2 GLU 52 1HB GLU 52 -4.555 -14.463 -2.651 367 HB3 GLU 52 2HB GLU 52 -6.200 -13.852 -2.916 368 HG2 GLU 52 1HG GLU 52 -5.354 -11.508 -2.591 369 HG3 GLU 52 2HG GLU 52 -3.736 -12.146 -2.480 370 H GLU 53 H GLU 53 -4.933 -11.561 0.283 371 HA GLU 53 HA GLU 53 -7.711 -10.445 0.352 372 HB2 GLU 53 1HB GLU 53 -5.467 -10.020 2.371 373 HB3 GLU 53 2HB GLU 53 -7.039 -9.215 2.367 374 HG2 GLU 53 1HG GLU 53 -8.146 -11.450 2.652 375 HG3 GLU 53 2HG GLU 53 -6.555 -12.202 2.746 376 H ILE 54 H ILE 54 -7.952 -8.536 -0.715 377 HA ILE 54 HA ILE 54 -5.480 -7.061 -1.504 378 HB ILE 54 HB ILE 54 -8.009 -7.358 -3.171 379 HG12 ILE 54 1HG1 ILE 54 -6.097 -8.560 -4.692 380 HG13 ILE 54 2HG1 ILE 54 -5.453 -8.986 -3.116 381 HG21 ILE 54 1HG2 ILE 54 -5.298 -6.102 -3.611 382 HG22 ILE 54 2HG2 ILE 54 -6.488 -6.361 -4.917 383 HG23 ILE 54 3HG2 ILE 54 -6.882 -5.295 -3.573 384 HD11 ILE 54 3HD1 ILE 54 -6.895 -10.765 -4.037 385 HD12 ILE 54 1HD1 ILE 54 -7.681 -10.101 -2.594 386 HD13 ILE 54 2HD1 ILE 54 -8.224 -9.648 -4.228 387 H VAL 55 H VAL 55 -5.531 -4.869 -1.292 388 HA VAL 55 HA VAL 55 -8.067 -3.518 -0.455 389 HB VAL 55 HB VAL 55 -5.315 -3.060 0.774 390 HG11 VAL 55 1HG1 VAL 55 -6.669 -1.013 0.682 391 HG12 VAL 55 2HG1 VAL 55 -8.031 -1.862 1.462 392 HG13 VAL 55 3HG1 VAL 55 -6.494 -1.597 2.338 393 HG21 VAL 55 3HG2 VAL 55 -6.355 -3.941 2.879 394 HG22 VAL 55 1HG2 VAL 55 -7.768 -4.444 1.924 395 HG23 VAL 55 2HG2 VAL 55 -6.169 -5.166 1.621 396 H THR 56 H THR 56 -8.491 -2.002 -1.931 397 HA THR 56 HA THR 56 -6.205 -0.501 -3.144 398 HB THR 56 HB THR 56 -7.277 -0.349 -5.244 399 HG1 THR 56 HG1 THR 56 -9.151 -1.545 -5.681 400 HG21 THR 56 3HG2 THR 56 -7.355 -3.291 -4.437 401 HG22 THR 56 1HG2 THR 56 -5.842 -2.392 -4.663 402 HG23 THR 56 2HG2 THR 56 -6.959 -2.604 -6.023 403 H TYR 57 H TYR 57 -6.288 1.686 -3.138 404 HA TYR 57 HA TYR 57 -8.835 3.066 -2.723 405 HD1 TYR 57 HD1 TYR 57 -6.212 1.183 -0.038 406 HD2 TYR 57 HD2 TYR 57 -6.374 5.490 -0.130 407 HE1 TYR 57 HE1 TYR 57 -4.251 1.301 1.505 408 HE2 TYR 57 HE2 TYR 57 -4.405 5.602 1.374 409 HH TYR 57 HH TYR 57 -2.921 4.432 2.635 410 HB2 TYR 57 1HB TYR 57 -8.341 4.144 -0.678 411 HB3 TYR 57 2HB TYR 57 -8.311 2.425 -0.476 412 H ASP 58 H ASP 58 -8.105 5.542 -2.038 413 HA ASP 58 HA ASP 58 -6.009 6.495 -3.938 414 HB2 ASP 58 1HB ASP 58 -8.970 7.322 -3.765 415 HB3 ASP 58 2HB ASP 58 -7.736 8.278 -4.564 416 H HIS 59 H HIS 59 -5.387 8.681 -3.427 417 HA HIS 59 HA HIS 59 -6.025 9.634 -0.649 418 HD1 HIS 59 HD1 HIS 59 -3.111 8.952 1.277 419 HD2 HIS 59 HD2 HIS 59 -2.757 7.641 -2.708 420 HE1 HIS 59 HE1 HIS 59 -1.648 6.887 1.315 421 HB2 HIS 59 1HB HIS 59 -3.522 10.230 -2.261 422 HB3 HIS 59 2HB HIS 59 -3.857 10.684 -0.607 423 H LEU 60 H LEU 60 -6.638 11.799 -0.443 424 HA LEU 60 HA LEU 60 -6.982 13.418 -2.936 425 HG LEU 60 HG LEU 60 -9.000 12.398 -3.786 426 HB2 LEU 60 1HB LEU 60 -9.063 12.865 -0.778 427 HB3 LEU 60 2HB LEU 60 -9.146 14.192 -1.924 428 HD11 LEU 60 1HD1 LEU 60 -10.011 10.249 -3.205 429 HD12 LEU 60 2HD1 LEU 60 -10.083 10.707 -1.475 430 HD13 LEU 60 3HD1 LEU 60 -8.536 10.412 -2.279 431 HD21 LEU 60 3HD2 LEU 60 -10.990 13.763 -3.281 432 HD22 LEU 60 1HD2 LEU 60 -11.472 12.618 -2.015 433 HD23 LEU 60 2HD2 LEU 60 -11.437 12.116 -3.725 434 H CYS 61 H CYS 61 -6.452 15.507 -2.751 435 HA CYS 61 HA CYS 61 -5.100 16.573 -0.495 436 HB2 CYS 61 1HB CYS 61 -5.021 17.153 -3.000 437 HB3 CYS 61 2HB CYS 61 -6.509 18.060 -2.758 438 H LYS 62 H LYS 62 -5.872 17.348 1.410 439 HA LYS 62 HA LYS 62 -8.701 17.495 1.990 440 HB2 LYS 62 1HB LYS 62 -7.205 16.988 3.764 441 HB3 LYS 62 2HB LYS 62 -6.184 18.360 3.429 442 HG2 LYS 62 1HG LYS 62 -7.274 18.752 5.484 443 HG3 LYS 62 2HG LYS 62 -7.872 19.914 4.313 444 HD2 LYS 62 1HD LYS 62 -9.910 18.416 4.000 445 HD3 LYS 62 2HD LYS 62 -9.272 17.412 5.319 446 HE2 LYS 62 1HE LYS 62 -9.273 19.398 6.823 447 HE3 LYS 62 2HE LYS 62 -9.937 20.382 5.514 448 HZ1 LYS 62 3HZ LYS 62 -11.300 18.043 6.746 449 HZ2 LYS 62 1HZ LYS 62 -11.919 18.958 5.537 450 HZ3 LYS 62 2HZ LYS 62 -11.679 19.605 7.014 451 H ASN 63 H ASN 63 -6.739 19.694 0.259 452 HA ASN 63 HA ASN 63 -8.344 22.082 0.976 453 HB2 ASN 63 1HB ASN 63 -5.968 22.369 0.985 454 HB3 ASN 63 2HB ASN 63 -5.810 21.736 -0.648 455 HD21 ASN 63 1HD2 ASN 63 -5.526 23.347 -2.141 456 HD22 ASN 63 2HD2 ASN 63 -6.297 24.934 -2.015 457 H CYS 64 H CYS 64 -7.097 20.730 -2.172 458 HA CYS 64 HA CYS 64 -9.493 21.777 -3.495 459 HB2 CYS 64 1HB CYS 64 -8.215 21.354 -5.554 460 HB3 CYS 64 2HB CYS 64 -7.413 22.440 -4.426 461 H HIS 65 H HIS 65 -8.757 18.799 -2.143 462 HA HIS 65 HA HIS 65 -9.418 16.659 -2.415 463 HD1 HIS 65 HD1 HIS 65 -12.065 19.687 -1.223 464 HD2 HIS 65 HD2 HIS 65 -11.041 15.701 -0.242 465 HE1 HIS 65 HE1 HIS 65 -12.066 19.547 1.349 466 HE2 HIS 65 HE2 HIS 65 -11.506 17.101 1.934 467 HB2 HIS 65 1HB HIS 65 -11.989 17.966 -3.292 468 HB3 HIS 65 2HB HIS 65 -11.806 16.268 -2.849 469 H HIS 66 H HIS 66 -8.048 17.831 -4.698 470 HA HIS 66 HA HIS 66 -8.683 16.237 -7.048 471 HD1 HIS 66 HD1 HIS 66 -5.820 16.040 -9.172 472 HD2 HIS 66 HD2 HIS 66 -4.395 17.359 -5.427 473 HE1 HIS 66 HE1 HIS 66 -3.302 15.955 -9.285 474 HB2 HIS 66 1HB HIS 66 -7.307 17.871 -7.699 475 HB3 HIS 66 2HB HIS 66 -6.677 18.121 -6.083 476 H VAL 67 H VAL 67 -7.723 14.141 -7.535 477 HA VAL 67 HA VAL 67 -6.930 12.554 -5.224 478 HB VAL 67 HB VAL 67 -7.057 11.813 -8.175 479 HG11 VAL 67 1HG1 VAL 67 -5.524 10.303 -7.028 480 HG12 VAL 67 2HG1 VAL 67 -6.657 10.124 -5.668 481 HG13 VAL 67 3HG1 VAL 67 -7.067 9.478 -7.258 482 HG21 VAL 67 3HG2 VAL 67 -9.121 10.622 -7.537 483 HG22 VAL 67 1HG2 VAL 67 -8.968 11.208 -5.870 484 HG23 VAL 67 2HG2 VAL 67 -9.287 12.346 -7.197 485 H ILE 68 H ILE 68 -5.068 12.917 -4.360 486 HA ILE 68 HA ILE 68 -2.699 13.964 -5.567 487 HB ILE 68 HB ILE 68 -3.319 12.545 -2.976 488 HG12 ILE 68 1HG1 ILE 68 -2.489 15.388 -3.717 489 HG13 ILE 68 2HG1 ILE 68 -4.147 14.867 -3.455 490 HG21 ILE 68 1HG2 ILE 68 -1.040 13.073 -2.158 491 HG22 ILE 68 2HG2 ILE 68 -0.963 11.930 -3.474 492 HG23 ILE 68 3HG2 ILE 68 -0.589 13.638 -3.776 493 HD11 ILE 68 3HD1 ILE 68 -3.253 16.029 -1.527 494 HD12 ILE 68 1HD1 ILE 68 -3.664 14.341 -1.119 495 HD13 ILE 68 2HD1 ILE 68 -1.966 14.850 -1.339 496 H ALA 69 H ALA 69 -3.686 10.620 -4.758 497 HA ALA 69 HA ALA 69 -1.948 9.411 -6.769 498 HB1 ALA 69 3HB ALA 69 -0.637 8.157 -4.950 499 HB2 ALA 69 1HB ALA 69 -0.288 9.896 -5.046 500 HB3 ALA 69 2HB ALA 69 -1.342 9.272 -3.771 501 H ARG 70 H ARG 70 -2.023 6.993 -6.627 502 HA ARG 70 HA ARG 70 -4.551 5.891 -5.454 503 HE ARG 70 HE ARG 70 -7.379 7.350 -8.163 504 HB2 ARG 70 1HB ARG 70 -3.223 5.382 -8.143 505 HB3 ARG 70 2HB ARG 70 -4.113 4.114 -7.303 506 HG2 ARG 70 1HG ARG 70 -5.702 4.979 -8.720 507 HG3 ARG 70 2HG ARG 70 -6.081 5.646 -7.134 508 HD2 ARG 70 1HD ARG 70 -4.905 7.780 -7.848 509 HD3 ARG 70 2HD ARG 70 -4.686 7.057 -9.454 510 HH11 ARG 70 1HH1 ARG 70 -5.409 8.182 -10.961 511 HH12 ARG 70 2HH1 ARG 70 -6.773 8.864 -11.804 512 HH21 ARG 70 1HH2 ARG 70 -9.009 8.170 -9.269 513 HH22 ARG 70 2HH2 ARG 70 -8.789 8.858 -10.858 514 H HIS 71 H HIS 71 -4.399 4.069 -4.359 515 HA HIS 71 HA HIS 71 -1.693 2.908 -3.757 516 HD2 HIS 71 HD2 HIS 71 -2.692 0.516 -1.087 517 HE1 HIS 71 HE1 HIS 71 0.319 2.682 1.013 518 HE2 HIS 71 HE2 HIS 71 -0.846 0.424 0.782 519 HB2 HIS 71 1HB HIS 71 -2.917 4.393 -2.030 520 HB3 HIS 71 2HB HIS 71 -4.068 3.087 -1.872 521 H GLU 72 H GLU 72 -1.503 0.726 -3.745 522 HA GLU 72 HA GLU 72 -3.904 -1.006 -3.553 523 HB2 GLU 72 1HB GLU 72 -3.593 -0.927 -5.904 524 HB3 GLU 72 2HB GLU 72 -1.834 -1.029 -5.782 525 HG2 GLU 72 1HG GLU 72 -1.893 -3.296 -5.060 526 HG3 GLU 72 2HG GLU 72 -3.649 -3.272 -4.811 527 H TYR 73 H TYR 73 -3.580 -2.589 -2.141 528 HA TYR 73 HA TYR 73 -0.832 -3.556 -1.540 529 HD1 TYR 73 HD1 TYR 73 0.334 -4.541 0.735 530 HD2 TYR 73 HD2 TYR 73 -3.800 -4.136 1.888 531 HE1 TYR 73 HE1 TYR 73 0.607 -6.393 2.348 532 HE2 TYR 73 HE2 TYR 73 -3.519 -5.969 3.521 533 HH TYR 73 HH TYR 73 -2.060 -7.410 4.532 534 HB2 TYR 73 1HB TYR 73 -1.219 -2.280 0.374 535 HB3 TYR 73 2HB TYR 73 -2.940 -2.607 0.385 536 H THR 74 H THR 74 -0.755 -5.694 -1.889 537 HA THR 74 HA THR 74 -3.308 -7.282 -1.720 538 HB THR 74 HB THR 74 -3.071 -8.325 -3.686 539 HG1 THR 74 HG1 THR 74 -0.318 -7.637 -3.778 540 HG21 THR 74 3HG2 THR 74 -1.577 -5.826 -4.576 541 HG22 THR 74 1HG2 THR 74 -3.296 -5.800 -4.184 542 HG23 THR 74 2HG2 THR 74 -2.716 -6.822 -5.504 543 H PHE 75 H PHE 75 -3.162 -9.115 -0.628 544 HA PHE 75 HA PHE 75 -0.455 -10.081 0.258 545 HD1 PHE 75 HD1 PHE 75 0.447 -10.680 2.784 546 HD2 PHE 75 HD2 PHE 75 -3.760 -11.617 2.762 547 HE1 PHE 75 HE1 PHE 75 0.883 -12.614 4.183 548 HE2 PHE 75 HE2 PHE 75 -3.307 -13.644 4.111 549 HZ PHE 75 HZ PHE 75 -0.963 -14.193 4.778 550 HB2 PHE 75 1HB PHE 75 -1.287 -8.984 2.101 551 HB3 PHE 75 2HB PHE 75 -2.940 -9.487 1.862 552 H SER 76 H SER 76 -0.143 -12.244 -0.150 553 HA SER 76 HA SER 76 -2.461 -14.066 -0.748 554 HG SER 76 HG SER 76 -1.453 -13.879 -4.034 555 HB2 SER 76 1HB SER 76 -0.007 -13.438 -2.337 556 HB3 SER 76 2HB SER 76 -0.548 -15.113 -2.329 557 H ILE 77 H ILE 77 -2.323 -16.171 -0.056 558 HA ILE 77 HA ILE 77 0.152 -16.949 1.488 559 HB ILE 77 HB ILE 77 -2.658 -17.999 1.908 560 HG12 ILE 77 1HG1 ILE 77 -1.024 -15.861 3.234 561 HG13 ILE 77 2HG1 ILE 77 -2.718 -15.841 2.706 562 HG21 ILE 77 1HG2 ILE 77 -0.810 -19.669 2.314 563 HG22 ILE 77 2HG2 ILE 77 -0.084 -18.520 3.462 564 HG23 ILE 77 3HG2 ILE 77 -1.679 -19.234 3.780 565 HD11 ILE 77 3HD1 ILE 77 -1.556 -17.191 5.166 566 HD12 ILE 77 1HD1 ILE 77 -2.676 -15.825 5.102 567 HD13 ILE 77 2HD1 ILE 77 -3.240 -17.432 4.601 568 H MET 78 H MET 78 1.407 -18.421 0.613 569 HA MET 78 HA MET 78 0.248 -20.389 -1.289 570 HB2 MET 78 1HB MET 78 2.468 -20.380 -2.459 571 HB3 MET 78 2HB MET 78 1.458 -18.956 -2.693 572 HG2 MET 78 1HG MET 78 2.836 -17.580 -1.379 573 HG3 MET 78 2HG MET 78 3.617 -18.934 -0.574 574 HE1 MET 78 3HE MET 78 3.098 -17.481 -4.220 575 HE2 MET 78 1HE MET 78 4.559 -18.092 -5.036 576 HE3 MET 78 2HE MET 78 3.291 -19.223 -4.528 577 H ASP 79 H ASP 79 0.259 -22.334 -0.569 578 HA ASP 79 HA ASP 79 0.693 -24.266 0.474 579 HB2 ASP 79 1HB ASP 79 2.333 -24.117 -1.403 580 HB3 ASP 79 2HB ASP 79 3.553 -23.582 -0.245 581 H GLU 80 H GLU 80 3.618 -22.528 1.592 582 HA GLU 80 HA GLU 80 2.932 -23.060 4.450 583 HB2 GLU 80 1HB GLU 80 5.760 -23.336 3.408 584 HB3 GLU 80 2HB GLU 80 5.121 -23.783 4.987 585 HG2 GLU 80 1HG GLU 80 3.747 -25.570 3.750 586 HG3 GLU 80 2HG GLU 80 4.727 -25.165 2.324 587 H PHE 81 H PHE 81 3.456 -20.678 2.215 588 HA PHE 81 HA PHE 81 4.898 -18.951 4.232 589 HD1 PHE 81 HD1 PHE 81 7.059 -20.734 3.613 590 HD2 PHE 81 HD2 PHE 81 5.828 -19.640 -0.348 591 HE1 PHE 81 HE1 PHE 81 8.346 -22.650 2.685 592 HE2 PHE 81 HE2 PHE 81 7.041 -21.567 -1.290 593 HZ PHE 81 HZ PHE 81 8.340 -23.082 0.234 594 HB2 PHE 81 1HB PHE 81 5.207 -18.283 1.327 595 HB3 PHE 81 2HB PHE 81 6.315 -18.136 2.629 596 H GLN 82 H GLN 82 4.648 -16.637 3.647 597 HA GLN 82 HA GLN 82 1.948 -15.939 2.538 598 HB2 GLN 82 1HB GLN 82 3.249 -14.209 4.583 599 HB3 GLN 82 2HB GLN 82 1.538 -14.504 4.229 600 HG2 GLN 82 1HG GLN 82 1.666 -16.669 5.376 601 HG3 GLN 82 2HG GLN 82 3.335 -16.237 5.864 602 HE21 GLN 82 1HE2 GLN 82 3.613 -14.198 7.089 603 HE22 GLN 82 2HE2 GLN 82 2.328 -13.692 8.165 604 H GLU 83 H GLU 83 1.865 -14.159 1.279 605 HA GLU 83 HA GLU 83 4.422 -12.847 0.440 606 HB2 GLU 83 1HB GLU 83 2.071 -13.924 -1.159 607 HB3 GLU 83 2HB GLU 83 2.951 -12.530 -1.753 608 HG2 GLU 83 1HG GLU 83 5.052 -13.782 -1.698 609 HG3 GLU 83 2HG GLU 83 4.169 -15.249 -1.206 610 H TYR 84 H TYR 84 4.428 -10.747 0.582 611 HA TYR 84 HA TYR 84 1.870 -9.197 0.908 612 HD1 TYR 84 HD1 TYR 84 4.463 -10.960 3.366 613 HD2 TYR 84 HD2 TYR 84 1.347 -7.983 3.600 614 HE1 TYR 84 HE1 TYR 84 3.496 -12.135 5.355 615 HE2 TYR 84 HE2 TYR 84 0.469 -9.058 5.652 616 HH TYR 84 HH TYR 84 0.699 -10.779 7.156 617 HB2 TYR 84 1HB TYR 84 4.630 -8.770 2.109 618 HB3 TYR 84 2HB TYR 84 3.316 -7.614 2.184 619 H THR 85 H THR 85 1.582 -7.652 -0.667 620 HA THR 85 HA THR 85 3.995 -6.451 -1.904 621 HB THR 85 HB THR 85 3.519 -6.854 -4.068 622 HG1 THR 85 HG1 THR 85 1.495 -7.402 -4.870 623 HG21 THR 85 3HG2 THR 85 3.910 -9.125 -3.049 624 HG22 THR 85 1HG2 THR 85 2.920 -9.178 -4.508 625 HG23 THR 85 2HG2 THR 85 2.155 -9.339 -2.913 626 H MET 86 H MET 86 3.793 -4.361 -2.387 627 HA MET 86 HA MET 86 1.164 -2.963 -2.183 628 HB2 MET 86 1HB MET 86 2.132 -2.791 -0.022 629 HB3 MET 86 2HB MET 86 3.714 -2.302 -0.667 630 HG2 MET 86 1HG MET 86 2.591 -0.238 -1.560 631 HG3 MET 86 2HG MET 86 1.091 -0.777 -0.794 632 HE1 MET 86 3HE MET 86 4.889 0.882 1.251 633 HE2 MET 86 1HE MET 86 4.904 -0.324 -0.055 634 HE3 MET 86 2HE MET 86 4.345 1.325 -0.382 635 H LEU 87 H LEU 87 0.968 -1.259 -3.407 636 HA LEU 87 HA LEU 87 3.158 -0.156 -5.092 637 HG LEU 87 HG LEU 87 1.998 0.540 -7.426 638 HB2 LEU 87 1HB LEU 87 2.162 -2.211 -6.262 639 HB3 LEU 87 2HB LEU 87 0.628 -1.368 -6.266 640 HD11 LEU 87 1HD1 LEU 87 3.790 -0.274 -8.856 641 HD12 LEU 87 2HD1 LEU 87 3.576 -1.928 -8.217 642 HD13 LEU 87 3HD1 LEU 87 4.154 -0.633 -7.157 643 HD21 LEU 87 3HD2 LEU 87 1.187 -1.988 -8.907 644 HD22 LEU 87 1HD2 LEU 87 1.435 -0.381 -9.638 645 HD23 LEU 87 2HD2 LEU 87 0.117 -0.635 -8.479 646 H CYS 88 H CYS 88 2.874 1.901 -4.422 647 HA CYS 88 HA CYS 88 0.365 3.323 -5.031 648 HB2 CYS 88 1HB CYS 88 0.275 2.860 -2.625 649 HB3 CYS 88 2HB CYS 88 1.907 3.428 -2.424 650 H LEU 89 H LEU 89 0.735 5.287 -5.921 651 HA LEU 89 HA LEU 89 3.303 6.071 -6.935 652 HG LEU 89 HG LEU 89 2.352 9.249 -6.804 653 HB2 LEU 89 1HB LEU 89 1.292 6.703 -8.095 654 HB3 LEU 89 2HB LEU 89 0.624 7.472 -6.664 655 HD11 LEU 89 1HD1 LEU 89 3.683 9.547 -8.772 656 HD12 LEU 89 2HD1 LEU 89 3.046 8.055 -9.505 657 HD13 LEU 89 3HD1 LEU 89 4.078 7.963 -8.066 658 HD21 LEU 89 3HD2 LEU 89 1.517 10.385 -8.832 659 HD22 LEU 89 1HD2 LEU 89 0.192 9.678 -7.886 660 HD23 LEU 89 2HD2 LEU 89 0.767 8.874 -9.372 661 H LEU 90 H LEU 90 1.619 6.904 -3.947 662 HA LEU 90 HA LEU 90 3.679 8.933 -3.204 663 HG LEU 90 HG LEU 90 2.387 8.659 -0.152 664 HB2 LEU 90 1HB LEU 90 1.383 9.624 -2.887 665 HB3 LEU 90 2HB LEU 90 0.960 8.115 -2.109 666 HD11 LEU 90 1HD1 LEU 90 2.824 11.366 -1.443 667 HD12 LEU 90 2HD1 LEU 90 4.055 10.079 -1.374 668 HD13 LEU 90 3HD1 LEU 90 3.424 10.762 0.111 669 HD21 LEU 90 3HD2 LEU 90 0.043 9.312 -0.133 670 HD22 LEU 90 1HD2 LEU 90 0.442 10.872 -0.888 671 HD23 LEU 90 2HD2 LEU 90 1.044 10.480 0.747 672 H CYS 91 H CYS 91 1.919 6.229 -1.592 673 HA CYS 91 HA CYS 91 3.755 6.114 0.486 674 HB2 CYS 91 1HB CYS 91 1.718 4.085 -0.457 675 HB3 CYS 91 2HB CYS 91 2.500 4.025 1.115 676 H GLY 92 H GLY 92 3.679 4.197 -2.490 677 HA2 GLY 92 1HA GLY 92 6.055 3.822 -3.260 678 HA3 GLY 92 2HA GLY 92 6.348 3.068 -1.717 679 H LYS 93 H LYS 93 7.172 1.749 -3.728 680 HA LYS 93 HA LYS 93 5.247 -0.492 -4.128 681 HB2 LYS 93 1HB LYS 93 5.794 0.426 -6.244 682 HB3 LYS 93 2HB LYS 93 7.494 0.499 -5.880 683 HG2 LYS 93 1HG LYS 93 7.580 -2.027 -5.770 684 HG3 LYS 93 2HG LYS 93 5.862 -2.066 -6.187 685 HD2 LYS 93 1HD LYS 93 6.395 -0.884 -8.344 686 HD3 LYS 93 2HD LYS 93 8.114 -0.922 -7.908 687 HE2 LYS 93 1HE LYS 93 8.027 -3.408 -7.807 688 HE3 LYS 93 2HE LYS 93 6.314 -3.368 -8.241 689 HZ1 LYS 93 3HZ LYS 93 7.710 -3.774 -10.186 690 HZ2 LYS 93 1HZ LYS 93 8.529 -2.380 -9.964 691 HZ3 LYS 93 2HZ LYS 93 6.944 -2.346 -10.366 692 H ALA 94 H ALA 94 5.607 -2.173 -2.925 693 HA ALA 94 HA ALA 94 8.356 -3.027 -2.328 694 HB1 ALA 94 3HB ALA 94 6.232 -2.417 -0.218 695 HB2 ALA 94 1HB ALA 94 7.800 -3.159 0.122 696 HB3 ALA 94 2HB ALA 94 7.726 -1.491 -0.476 697 H GLU 95 H GLU 95 8.555 -5.199 -1.464 698 HA GLU 95 HA GLU 95 6.195 -6.921 -1.420 699 HB2 GLU 95 1HB GLU 95 6.748 -6.926 -3.803 700 HB3 GLU 95 2HB GLU 95 8.442 -7.272 -3.437 701 HG2 GLU 95 1HG GLU 95 7.847 -9.496 -2.584 702 HG3 GLU 95 2HG GLU 95 6.136 -9.156 -2.824 703 H ASP 96 H ASP 96 6.430 -8.628 -0.063 704 HA ASP 96 HA ASP 96 9.088 -9.450 0.897 705 HB2 ASP 96 1HB ASP 96 7.862 -7.634 2.437 706 HB3 ASP 96 2HB ASP 96 6.856 -8.979 2.899 707 H THR 97 H THR 97 9.102 -11.588 1.842 708 HA THR 97 HA THR 97 6.544 -13.060 1.766 709 HB THR 97 HB THR 97 8.978 -14.483 0.744 710 HG1 THR 97 HG1 THR 97 8.358 -14.009 -1.354 711 HG21 THR 97 3HG2 THR 97 7.269 -15.869 -0.385 712 HG22 THR 97 1HG2 THR 97 6.001 -14.772 0.211 713 HG23 THR 97 2HG2 THR 97 6.919 -15.764 1.351 714 H ILE 98 H ILE 98 6.227 -14.393 3.456 715 HA ILE 98 HA ILE 98 8.483 -14.824 5.399 716 HB ILE 98 HB ILE 98 5.566 -14.582 6.137 717 HG12 ILE 98 1HG1 ILE 98 7.610 -12.345 6.038 718 HG13 ILE 98 2HG1 ILE 98 6.085 -12.464 5.121 719 HG21 ILE 98 1HG2 ILE 98 8.108 -14.225 7.763 720 HG22 ILE 98 2HG2 ILE 98 6.442 -14.222 8.392 721 HG23 ILE 98 3HG2 ILE 98 7.114 -15.700 7.732 722 HD11 ILE 98 3HD1 ILE 98 4.845 -12.318 7.320 723 HD12 ILE 98 1HD1 ILE 98 6.402 -11.939 8.097 724 HD13 ILE 98 2HD1 ILE 98 5.748 -10.863 6.857 725 H SER 99 H SER 99 8.861 -16.925 5.906 726 HA SER 99 HA SER 99 6.977 -19.019 4.998 727 HG SER 99 HG SER 99 9.795 -19.215 7.344 728 HB2 SER 99 1HB SER 99 8.709 -20.593 5.856 729 HB3 SER 99 2HB SER 99 9.219 -19.511 4.555 730 H ILE 100 H ILE 100 5.627 -20.182 6.276 731 HA ILE 100 HA ILE 100 5.674 -19.741 9.213 732 HB ILE 100 HB ILE 100 3.201 -19.490 9.216 733 HG12 ILE 100 1HG1 ILE 100 2.147 -18.445 7.198 734 HG13 ILE 100 2HG1 ILE 100 3.497 -19.000 6.219 735 HG21 ILE 100 1HG2 ILE 100 3.265 -17.114 8.801 736 HG22 ILE 100 2HG2 ILE 100 4.801 -17.618 9.516 737 HG23 ILE 100 3HG2 ILE 100 4.704 -17.276 7.775 738 HD11 ILE 100 3HD1 ILE 100 1.552 -20.762 7.785 739 HD12 ILE 100 1HD1 ILE 100 1.508 -20.447 6.037 740 HD13 ILE 100 2HD1 ILE 100 2.856 -21.361 6.733 741 H LEU 101 H LEU 101 3.793 -21.168 10.205 742 HA LEU 101 HA LEU 101 4.044 -23.964 9.210 743 HG LEU 101 HG LEU 101 6.594 -22.864 10.455 744 HB2 LEU 101 1HB LEU 101 4.579 -22.728 11.941 745 HB3 LEU 101 2HB LEU 101 4.342 -24.458 11.758 746 HD11 LEU 101 1HD1 LEU 101 8.028 -23.988 12.101 747 HD12 LEU 101 2HD1 LEU 101 6.605 -24.771 12.829 748 HD13 LEU 101 3HD1 LEU 101 6.795 -23.004 12.907 749 HD21 LEU 101 3HD2 LEU 101 6.087 -25.873 10.599 750 HD22 LEU 101 1HD2 LEU 101 7.575 -25.105 10.003 751 HD23 LEU 101 2HD2 LEU 101 6.061 -24.870 9.128 752 HA PRO 102 HA PRO 102 -0.282 -24.308 10.101 753 HB2 PRO 102 1HB PRO 102 -0.576 -26.806 11.249 754 HB3 PRO 102 2HB PRO 102 -0.272 -26.512 9.510 755 HG2 PRO 102 1HG PRO 102 1.748 -27.181 11.670 756 HG3 PRO 102 2HG PRO 102 1.576 -27.920 10.045 757 HD2 PRO 102 1HD PRO 102 3.407 -25.996 10.507 758 HD3 PRO 102 2HD PRO 102 2.481 -26.003 8.981 759 H ASP 103 H ASP 103 1.966 -24.556 12.750 760 HA ASP 103 HA ASP 103 0.061 -24.304 14.939 761 HB2 ASP 103 1HB ASP 103 3.061 -23.796 14.732 762 HB3 ASP 103 2HB ASP 103 2.144 -23.772 16.237 763 H ASP 104 H ASP 104 0.914 -22.145 12.536 764 HA ASP 104 HA ASP 104 0.967 -19.956 12.187 765 HB2 ASP 104 1HB ASP 104 -1.418 -20.484 12.428 766 HB3 ASP 104 2HB ASP 104 -1.368 -19.946 14.112 767 HA PRO 105 HA PRO 105 3.343 -18.771 16.009 768 HB2 PRO 105 1HB PRO 105 5.849 -18.550 14.939 769 HB3 PRO 105 2HB PRO 105 5.122 -20.113 15.414 770 HG2 PRO 105 1HG PRO 105 5.198 -18.861 12.646 771 HG3 PRO 105 2HG PRO 105 5.672 -20.526 13.119 772 HD2 PRO 105 1HD PRO 105 3.208 -19.968 12.108 773 HD3 PRO 105 2HD PRO 105 3.428 -21.184 13.404 774 H ARG 106 H ARG 106 2.766 -17.154 13.015 775 HA ARG 106 HA ARG 106 2.886 -14.980 12.266 776 HE ARG 106 HE ARG 106 0.011 -16.118 12.055 777 HB2 ARG 106 1HB ARG 106 2.558 -14.423 15.243 778 HB3 ARG 106 2HB ARG 106 2.374 -13.207 14.001 779 HG2 ARG 106 1HG ARG 106 0.597 -15.668 14.211 780 HG3 ARG 106 2HG ARG 106 0.261 -14.083 14.894 781 HD2 ARG 106 1HD ARG 106 -0.895 -13.831 12.963 782 HD3 ARG 106 2HD ARG 106 0.670 -13.219 12.415 783 HH11 ARG 106 1HH1 ARG 106 0.211 -13.045 10.308 784 HH12 ARG 106 2HH1 ARG 106 0.137 -13.921 8.783 785 HH21 ARG 106 1HH2 ARG 106 -0.064 -16.999 10.213 786 HH22 ARG 106 2HH2 ARG 106 0.086 -16.056 8.704 787 H GLN 107 H GLN 107 5.535 -16.224 13.200 788 HA GLN 107 HA GLN 107 7.715 -15.673 13.653 789 HB2 GLN 107 1HB GLN 107 7.024 -13.663 11.477 790 HB3 GLN 107 2HB GLN 107 8.663 -13.979 12.025 791 HG2 GLN 107 1HG GLN 107 6.821 -16.015 10.705 792 HG3 GLN 107 2HG GLN 107 8.157 -15.150 9.951 793 HE21 GLN 107 1HE2 GLN 107 8.202 -17.900 9.760 794 HE22 GLN 107 2HE2 GLN 107 9.466 -18.510 10.825 Start of MODEL 4 1 HA CYS 2 HA CYS 2 -1.424 14.830 -10.635 2 H1 CYS 2 1H CYS 2 -1.233 15.564 -7.890 3 HB2 CYS 2 1HB CYS 2 -0.286 17.249 -10.724 4 HB3 CYS 2 2HB CYS 2 -1.977 16.987 -10.410 5 H GLY 3 H GLY 3 0.637 13.587 -8.697 6 HA2 GLY 3 1HA GLY 3 2.603 12.405 -8.969 7 HA3 GLY 3 2HA GLY 3 2.755 12.968 -10.625 8 H ASP 4 H ASP 4 2.593 15.840 -9.881 9 HA ASP 4 HA ASP 4 5.330 16.392 -9.034 10 HB2 ASP 4 1HB ASP 4 2.855 18.088 -9.482 11 HB3 ASP 4 2HB ASP 4 4.336 18.767 -8.805 12 H CYS 5 H CYS 5 2.356 15.679 -7.384 13 HA CYS 5 HA CYS 5 2.748 16.889 -4.886 14 HB2 CYS 5 1HB CYS 5 1.392 14.230 -5.561 15 HB3 CYS 5 2HB CYS 5 1.266 15.062 -4.053 16 H VAL 6 H VAL 6 4.343 14.060 -6.305 17 HA VAL 6 HA VAL 6 5.363 13.182 -3.622 18 HB VAL 6 HB VAL 6 5.663 11.023 -4.447 19 HG11 VAL 6 1HG1 VAL 6 3.433 11.614 -3.597 20 HG12 VAL 6 2HG1 VAL 6 2.891 11.996 -5.242 21 HG13 VAL 6 3HG1 VAL 6 3.344 10.345 -4.825 22 HG21 VAL 6 3HG2 VAL 6 4.976 10.178 -6.591 23 HG22 VAL 6 1HG2 VAL 6 4.482 11.784 -7.137 24 HG23 VAL 6 2HG2 VAL 6 6.201 11.413 -6.859 25 H GLU 7 H GLU 7 7.556 13.031 -3.227 26 HA GLU 7 HA GLU 7 9.445 14.441 -4.867 27 HB2 GLU 7 1HB GLU 7 9.712 14.340 -2.466 28 HB3 GLU 7 2HB GLU 7 9.799 12.595 -2.465 29 HG2 GLU 7 1HG GLU 7 11.925 12.603 -3.550 30 HG3 GLU 7 2HG GLU 7 11.820 14.336 -3.898 31 H LYS 8 H LYS 8 8.728 10.984 -4.456 32 HA LYS 8 HA LYS 8 10.101 10.352 -7.033 33 HB2 LYS 8 1HB LYS 8 10.291 8.815 -4.398 34 HB3 LYS 8 2HB LYS 8 10.752 8.143 -5.966 35 HG2 LYS 8 1HG LYS 8 12.434 9.966 -6.246 36 HG3 LYS 8 2HG LYS 8 12.012 10.577 -4.633 37 HD2 LYS 8 1HD LYS 8 12.688 8.423 -3.622 38 HD3 LYS 8 2HD LYS 8 13.122 7.802 -5.233 39 HE2 LYS 8 1HE LYS 8 14.779 9.633 -5.493 40 HE3 LYS 8 2HE LYS 8 14.341 10.265 -3.900 41 HZ1 LYS 8 3HZ LYS 8 15.540 7.591 -4.403 42 HZ2 LYS 8 1HZ LYS 8 15.124 8.166 -2.928 43 HZ3 LYS 8 2HZ LYS 8 16.324 8.876 -3.775 44 H GLU 9 H GLU 9 9.032 8.869 -8.270 45 HA GLU 9 HA GLU 9 6.219 8.257 -7.622 46 HB2 GLU 9 1HB GLU 9 8.052 7.837 -10.016 47 HB3 GLU 9 2HB GLU 9 6.477 7.051 -9.940 48 HG2 GLU 9 1HG GLU 9 5.284 8.935 -10.238 49 HG3 GLU 9 2HG GLU 9 6.437 9.986 -9.418 50 H TYR 10 H TYR 10 5.616 6.438 -6.581 51 HA TYR 10 HA TYR 10 5.750 4.448 -5.478 52 HD1 TYR 10 HD1 TYR 10 5.333 5.361 -9.211 53 HD2 TYR 10 HD2 TYR 10 3.742 2.040 -6.936 54 HE1 TYR 10 HE1 TYR 10 3.128 5.756 -10.205 55 HE2 TYR 10 HE2 TYR 10 1.491 2.488 -7.917 56 HH TYR 10 HH TYR 10 0.922 5.082 -10.315 57 HB2 TYR 10 1HB TYR 10 6.820 3.425 -8.111 58 HB3 TYR 10 2HB TYR 10 6.051 2.497 -6.854 59 HA PRO 11 HA PRO 11 10.331 4.815 -4.501 60 HB2 PRO 11 1HB PRO 11 10.019 5.529 -1.869 61 HB3 PRO 11 2HB PRO 11 9.992 6.724 -3.220 62 HG2 PRO 11 1HG PRO 11 7.615 5.407 -1.874 63 HG3 PRO 11 2HG PRO 11 7.929 7.150 -2.121 64 HD2 PRO 11 1HD PRO 11 6.403 5.815 -3.876 65 HD3 PRO 11 2HD PRO 11 7.635 6.927 -4.502 66 H ASN 12 H ASN 12 11.531 3.104 -3.426 67 HA ASN 12 HA ASN 12 9.865 0.839 -2.538 68 HB2 ASN 12 1HB ASN 12 12.907 1.204 -2.611 69 HB3 ASN 12 2HB ASN 12 12.062 -0.297 -2.237 70 HD21 ASN 12 1HD2 ASN 12 10.159 -0.656 -4.148 71 HD22 ASN 12 2HD2 ASN 12 10.938 -0.647 -5.728 72 H ARG 13 H ARG 13 9.722 0.019 -0.469 73 HA ARG 13 HA ARG 13 10.579 1.873 1.752 74 HE ARG 13 HE ARG 13 9.111 3.943 3.389 75 HB2 ARG 13 1HB ARG 13 8.077 0.151 1.584 76 HB3 ARG 13 2HB ARG 13 8.511 1.269 2.881 77 HG2 ARG 13 1HG ARG 13 7.882 2.062 0.016 78 HG3 ARG 13 2HG ARG 13 6.801 2.169 1.396 79 HD2 ARG 13 1HD ARG 13 9.440 3.671 1.108 80 HD3 ARG 13 2HD ARG 13 7.867 4.363 0.804 81 HH11 ARG 13 1HH1 ARG 13 5.955 4.281 1.896 82 HH12 ARG 13 2HH1 ARG 13 5.168 4.557 3.432 83 HH21 ARG 13 1HH2 ARG 13 8.049 4.345 5.292 84 HH22 ARG 13 2HH2 ARG 13 6.336 4.625 5.292 85 H GLY 14 H GLY 14 12.114 -0.323 0.756 86 HA2 GLY 14 1HA GLY 14 13.411 -2.039 1.465 87 HA3 GLY 14 2HA GLY 14 13.163 -1.426 3.112 88 H ASN 15 H ASN 15 10.429 -2.436 1.472 89 HA ASN 15 HA ASN 15 9.456 -4.512 1.062 90 HB2 ASN 15 1HB ASN 15 9.633 -6.432 2.376 91 HB3 ASN 15 2HB ASN 15 11.252 -5.835 2.298 92 HD21 ASN 15 1HD2 ASN 15 10.496 -7.691 4.266 93 HD22 ASN 15 2HD2 ASN 15 10.489 -6.868 5.825 94 H THR 16 H THR 16 8.930 -2.082 3.223 95 HA THR 16 HA THR 16 6.789 -3.025 4.862 96 HB THR 16 HB THR 16 7.350 -0.219 3.850 97 HG1 THR 16 HG1 THR 16 9.096 -0.876 4.953 98 HG21 THR 16 3HG2 THR 16 5.691 -1.160 6.203 99 HG22 THR 16 1HG2 THR 16 5.171 -0.170 4.806 100 HG23 THR 16 2HG2 THR 16 6.285 0.503 5.993 101 H CYS 17 H CYS 17 4.754 -3.769 4.250 102 HA CYS 17 HA CYS 17 3.405 -2.486 1.921 103 HG CYS 17 HG CYS 17 5.691 -4.879 1.889 104 HB2 CYS 17 1HB CYS 17 3.294 -5.380 2.828 105 HB3 CYS 17 2HB CYS 17 2.401 -4.676 1.471 106 H LEU 18 H LEU 18 1.871 -1.187 2.757 107 HA LEU 18 HA LEU 18 0.222 -2.027 5.127 108 HG LEU 18 HG LEU 18 0.853 -0.330 7.116 109 HB2 LEU 18 1HB LEU 18 1.541 0.550 4.296 110 HB3 LEU 18 2HB LEU 18 0.020 0.638 5.147 111 HD11 LEU 18 1HD1 LEU 18 2.233 -2.127 6.470 112 HD12 LEU 18 2HD1 LEU 18 3.308 -1.006 7.309 113 HD13 LEU 18 3HD1 LEU 18 3.309 -1.072 5.526 114 HD21 LEU 18 3HD2 LEU 18 2.605 1.240 7.736 115 HD22 LEU 18 1HD2 LEU 18 1.458 2.048 6.654 116 HD23 LEU 18 2HD2 LEU 18 3.032 1.501 6.030 117 H GLU 19 H GLU 19 -1.887 -1.684 5.187 118 HA GLU 19 HA GLU 19 -3.302 -1.071 2.648 119 HB2 GLU 19 1HB GLU 19 -5.143 -2.192 3.534 120 HB3 GLU 19 2HB GLU 19 -3.777 -3.191 3.954 121 HG2 GLU 19 1HG GLU 19 -3.925 -2.702 6.229 122 HG3 GLU 19 2HG GLU 19 -4.846 -1.222 5.962 123 H ASN 20 H ASN 20 -2.247 0.731 5.190 124 HA ASN 20 HA ASN 20 -4.332 2.827 4.852 125 HB2 ASN 20 1HB ASN 20 -3.488 1.595 7.522 126 HB3 ASN 20 2HB ASN 20 -4.291 3.149 7.400 127 HD21 ASN 20 1HD2 ASN 20 -5.011 0.276 8.450 128 HD22 ASN 20 2HD2 ASN 20 -6.667 0.134 7.889 129 H GLY 21 H GLY 21 -3.640 4.920 5.534 130 HA2 GLY 21 1HA GLY 21 -2.009 6.358 6.638 131 HA3 GLY 21 2HA GLY 21 -0.718 5.303 6.090 132 H SER 22 H SER 22 -0.100 7.647 5.614 133 HA SER 22 HA SER 22 -0.175 8.098 2.705 134 HG SER 22 HG SER 22 -2.724 8.981 3.867 135 HB2 SER 22 1HB SER 22 -1.006 10.242 4.715 136 HB3 SER 22 2HB SER 22 -0.501 10.562 3.053 137 H PHE 23 H PHE 23 1.946 8.196 2.200 138 HA PHE 23 HA PHE 23 3.927 8.537 4.242 139 HD1 PHE 23 HD1 PHE 23 5.971 8.132 4.608 140 HD2 PHE 23 HD2 PHE 23 6.265 7.192 0.409 141 HE1 PHE 23 HE1 PHE 23 8.393 7.723 4.856 142 HE2 PHE 23 HE2 PHE 23 8.701 6.830 0.659 143 HZ PHE 23 HZ PHE 23 9.788 7.180 2.884 144 HB2 PHE 23 1HB PHE 23 3.981 6.925 2.392 145 HB3 PHE 23 2HB PHE 23 4.253 8.217 1.249 146 H LEU 24 H LEU 24 3.463 10.649 4.975 147 HA LEU 24 HA LEU 24 3.676 13.013 3.602 148 HG LEU 24 HG LEU 24 2.408 11.660 6.393 149 HB2 LEU 24 1HB LEU 24 4.657 12.559 6.442 150 HB3 LEU 24 2HB LEU 24 4.132 14.083 5.743 151 HD11 LEU 24 1HD1 LEU 24 3.036 13.106 8.290 152 HD12 LEU 24 2HD1 LEU 24 1.301 13.188 7.944 153 HD13 LEU 24 3HD1 LEU 24 2.368 14.518 7.437 154 HD21 LEU 24 3HD2 LEU 24 1.508 12.618 4.328 155 HD22 LEU 24 1HD2 LEU 24 1.572 14.254 5.028 156 HD23 LEU 24 2HD2 LEU 24 0.462 13.028 5.682 157 H LEU 25 H LEU 25 6.407 11.056 4.568 158 HA LEU 25 HA LEU 25 8.459 13.068 4.154 159 HG LEU 25 HG LEU 25 8.228 11.472 6.517 160 HB2 LEU 25 1HB LEU 25 8.412 10.063 4.428 161 HB3 LEU 25 2HB LEU 25 9.912 10.869 4.035 162 HD11 LEU 25 1HD1 LEU 25 9.138 9.193 6.590 163 HD12 LEU 25 2HD1 LEU 25 9.975 10.235 7.746 164 HD13 LEU 25 3HD1 LEU 25 10.763 9.808 6.208 165 HD21 LEU 25 3HD2 LEU 25 10.323 12.562 7.333 166 HD22 LEU 25 1HD2 LEU 25 9.652 13.386 5.927 167 HD23 LEU 25 2HD2 LEU 25 11.057 12.313 5.734 168 H ASN 26 H ASN 26 6.625 11.142 1.907 169 HA ASN 26 HA ASN 26 8.552 11.785 -0.308 170 HB2 ASN 26 1HB ASN 26 7.777 9.427 -0.054 171 HB3 ASN 26 2HB ASN 26 6.122 9.946 -0.314 172 HD21 ASN 26 1HD2 ASN 26 5.918 8.721 -2.333 173 HD22 ASN 26 2HD2 ASN 26 6.820 9.232 -3.766 174 H PHE 27 H PHE 27 5.248 12.319 0.928 175 HA PHE 27 HA PHE 27 4.315 13.842 -1.323 176 HD1 PHE 27 HD1 PHE 27 2.124 14.400 -1.934 177 HD2 PHE 27 HD2 PHE 27 2.044 15.750 2.150 178 HE1 PHE 27 HE1 PHE 27 0.279 16.010 -2.512 179 HE2 PHE 27 HE2 PHE 27 0.247 17.374 1.561 180 HZ PHE 27 HZ PHE 27 -0.658 17.459 -0.739 181 HB2 PHE 27 1HB PHE 27 2.810 12.915 0.370 182 HB3 PHE 27 2HB PHE 27 3.473 13.988 1.586 183 H THR 28 H THR 28 5.285 15.619 -2.069 184 HA THR 28 HA THR 28 6.789 17.470 -0.272 185 HB THR 28 HB THR 28 7.435 18.605 -2.396 186 HG1 THR 28 HG1 THR 28 6.915 17.606 -4.327 187 HG21 THR 28 3HG2 THR 28 7.926 15.610 -2.400 188 HG22 THR 28 1HG2 THR 28 8.847 16.801 -1.456 189 HG23 THR 28 2HG2 THR 28 8.910 16.838 -3.228 190 H GLY 29 H GLY 29 3.644 17.132 -1.115 191 HA2 GLY 29 1HA GLY 29 1.930 18.644 -0.448 192 HA3 GLY 29 2HA GLY 29 2.946 20.024 -0.801 193 H CYS 30 H CYS 30 0.287 19.422 -1.821 194 HA CYS 30 HA CYS 30 0.120 18.309 -4.337 195 HB2 CYS 30 1HB CYS 30 -1.696 19.177 -2.691 196 HB3 CYS 30 2HB CYS 30 -1.466 20.737 -3.438 197 H ALA 31 H ALA 31 -0.505 19.356 -6.302 198 HA ALA 31 HA ALA 31 0.969 21.876 -6.893 199 HB1 ALA 31 3HB ALA 31 2.169 19.743 -7.768 200 HB2 ALA 31 1HB ALA 31 0.897 19.796 -9.031 201 HB3 ALA 31 2HB ALA 31 1.974 21.170 -8.830 202 H VAL 32 H VAL 32 -2.039 20.235 -6.989 203 HA VAL 32 HA VAL 32 -3.133 21.876 -9.143 204 HB VAL 32 HB VAL 32 -4.413 20.081 -7.046 205 HG11 VAL 32 1HG1 VAL 32 -5.940 21.745 -9.095 206 HG12 VAL 32 2HG1 VAL 32 -6.611 20.445 -8.072 207 HG13 VAL 32 3HG1 VAL 32 -6.018 21.924 -7.325 208 HG21 VAL 32 3HG2 VAL 32 -4.440 20.013 -10.099 209 HG22 VAL 32 1HG2 VAL 32 -3.456 18.983 -9.039 210 HG23 VAL 32 2HG2 VAL 32 -5.213 18.832 -9.011 211 H CYS 33 H CYS 33 -2.833 22.045 -5.614 212 HA CYS 33 HA CYS 33 -3.725 24.892 -5.649 213 HB2 CYS 33 1HB CYS 33 -4.770 24.520 -3.545 214 HB3 CYS 33 2HB CYS 33 -5.416 23.358 -4.716 215 H SER 34 H SER 34 -1.189 22.761 -4.673 216 HA SER 34 HA SER 34 0.877 23.185 -3.845 217 HG SER 34 HG SER 34 2.337 25.133 -2.674 218 HB2 SER 34 1HB SER 34 0.530 25.501 -4.840 219 HB3 SER 34 2HB SER 34 0.279 26.043 -3.171 220 H LYS 35 H LYS 35 -1.520 22.454 -1.973 221 HA LYS 35 HA LYS 35 -0.512 23.390 0.674 222 HB2 LYS 35 1HB LYS 35 -2.838 21.677 -0.242 223 HB3 LYS 35 2HB LYS 35 -2.385 21.813 1.448 224 HG2 LYS 35 1HG LYS 35 -2.500 24.493 0.299 225 HG3 LYS 35 2HG LYS 35 -3.991 23.619 -0.068 226 HD2 LYS 35 1HD LYS 35 -4.373 23.115 2.253 227 HD3 LYS 35 2HD LYS 35 -2.781 23.792 2.703 228 HE2 LYS 35 1HE LYS 35 -3.541 26.019 1.801 229 HE3 LYS 35 2HE LYS 35 -5.135 25.324 1.486 230 HZ1 LYS 35 3HZ LYS 35 -5.071 26.496 3.615 231 HZ2 LYS 35 1HZ LYS 35 -3.867 25.546 4.167 232 HZ3 LYS 35 2HZ LYS 35 -5.347 24.909 3.882 233 H ARG 36 H ARG 36 0.441 22.161 2.237 234 HA ARG 36 HA ARG 36 1.250 19.346 1.604 235 HE ARG 36 HE ARG 36 5.379 17.372 2.053 236 HB2 ARG 36 1HB ARG 36 3.124 20.996 1.530 237 HB3 ARG 36 2HB ARG 36 2.908 21.222 3.276 238 HG2 ARG 36 1HG ARG 36 3.474 18.925 3.736 239 HG3 ARG 36 2HG ARG 36 3.237 18.453 2.039 240 HD2 ARG 36 1HD ARG 36 5.155 19.849 1.410 241 HD3 ARG 36 2HD ARG 36 5.456 20.192 3.127 242 HH11 ARG 36 1HH1 ARG 36 7.337 19.766 3.713 243 HH12 ARG 36 2HH1 ARG 36 8.497 18.562 4.205 244 HH21 ARG 36 1HH2 ARG 36 6.768 15.932 2.778 245 HH22 ARG 36 2HH2 ARG 36 8.190 16.428 3.666 246 H ASP 37 H ASP 37 1.527 17.984 3.573 247 HA ASP 37 HA ASP 37 0.517 16.872 5.226 248 HB2 ASP 37 1HB ASP 37 0.546 17.790 7.382 249 HB3 ASP 37 2HB ASP 37 1.991 18.232 6.495 250 H PHE 38 H PHE 38 -1.210 17.964 3.341 251 HA PHE 38 HA PHE 38 -3.872 17.977 4.683 252 HD1 PHE 38 HD1 PHE 38 -2.326 20.354 5.335 253 HD2 PHE 38 HD2 PHE 38 -5.885 20.809 2.950 254 HE1 PHE 38 HE1 PHE 38 -3.056 22.225 6.774 255 HE2 PHE 38 HE2 PHE 38 -6.605 22.702 4.368 256 HZ PHE 38 HZ PHE 38 -5.199 23.403 6.314 257 HB2 PHE 38 1HB PHE 38 -2.752 19.674 2.498 258 HB3 PHE 38 2HB PHE 38 -4.412 19.164 2.358 259 H MET 39 H MET 39 -4.412 15.879 4.519 260 HA MET 39 HA MET 39 -5.306 14.974 1.948 261 HB2 MET 39 1HB MET 39 -4.080 12.742 1.993 262 HB3 MET 39 2HB MET 39 -3.224 14.132 1.412 263 HG2 MET 39 1HG MET 39 -2.811 13.840 4.302 264 HG3 MET 39 2HG MET 39 -2.494 12.320 3.487 265 HE1 MET 39 3HE MET 39 -1.126 13.553 0.541 266 HE2 MET 39 1HE MET 39 0.465 13.054 1.147 267 HE3 MET 39 2HE MET 39 -0.960 12.046 1.468 268 H LEU 40 H LEU 40 -6.602 13.339 1.873 269 HA LEU 40 HA LEU 40 -7.771 12.020 4.286 270 HG LEU 40 HG LEU 40 -10.345 14.639 3.401 271 HB2 LEU 40 1HB LEU 40 -8.958 13.574 1.966 272 HB3 LEU 40 2HB LEU 40 -9.847 12.226 2.569 273 HD11 LEU 40 1HD1 LEU 40 -11.537 12.593 4.132 274 HD12 LEU 40 2HD1 LEU 40 -11.263 13.677 5.502 275 HD13 LEU 40 3HD1 LEU 40 -10.238 12.240 5.294 276 HD21 LEU 40 3HD2 LEU 40 -8.313 13.818 5.480 277 HD22 LEU 40 1HD2 LEU 40 -9.425 15.191 5.555 278 HD23 LEU 40 2HD2 LEU 40 -8.159 15.150 4.308 279 H ILE 41 H ILE 41 -8.961 10.038 3.653 280 HA ILE 41 HA ILE 41 -8.012 8.673 1.178 281 HB ILE 41 HB ILE 41 -8.263 7.564 3.992 282 HG12 ILE 41 1HG1 ILE 41 -5.867 7.575 2.094 283 HG13 ILE 41 2HG1 ILE 41 -6.110 8.726 3.407 284 HG21 ILE 41 1HG2 ILE 41 -9.250 5.899 2.481 285 HG22 ILE 41 2HG2 ILE 41 -7.909 6.070 1.341 286 HG23 ILE 41 3HG2 ILE 41 -7.662 5.317 2.925 287 HD11 ILE 41 3HD1 ILE 41 -6.142 6.808 5.041 288 HD12 ILE 41 1HD1 ILE 41 -5.619 5.746 3.709 289 HD13 ILE 41 2HD1 ILE 41 -4.600 7.097 4.223 290 H THR 42 H THR 42 -9.642 7.800 0.041 291 HA THR 42 HA THR 42 -12.234 7.212 1.280 292 HB THR 42 HB THR 42 -12.141 9.713 0.457 293 HG1 THR 42 HG1 THR 42 -14.340 9.519 0.165 294 HG21 THR 42 3HG2 THR 42 -11.529 8.839 -1.983 295 HG22 THR 42 1HG2 THR 42 -12.651 10.197 -1.744 296 HG23 THR 42 2HG2 THR 42 -13.269 8.577 -2.096 297 H ASN 43 H ASN 43 -13.785 6.424 -0.504 298 HA ASN 43 HA ASN 43 -14.309 4.811 -2.039 299 HB2 ASN 43 1HB ASN 43 -13.758 6.641 -3.450 300 HB3 ASN 43 2HB ASN 43 -12.041 6.358 -3.335 301 HD21 ASN 43 1HD2 ASN 43 -11.179 5.579 -5.147 302 HD22 ASN 43 2HD2 ASN 43 -12.043 4.568 -6.306 303 H LYS 44 H LYS 44 -12.236 4.164 0.063 304 HA LYS 44 HA LYS 44 -10.444 2.167 -0.769 305 HB2 LYS 44 1HB LYS 44 -10.616 3.382 1.487 306 HB3 LYS 44 2HB LYS 44 -11.913 2.235 1.879 307 HG2 LYS 44 1HG LYS 44 -10.372 0.327 1.503 308 HG3 LYS 44 2HG LYS 44 -9.061 1.454 1.168 309 HD2 LYS 44 1HD LYS 44 -9.133 2.319 3.453 310 HD3 LYS 44 2HD LYS 44 -10.524 1.265 3.822 311 HE2 LYS 44 1HE LYS 44 -9.151 -0.730 3.233 312 HE3 LYS 44 2HE LYS 44 -7.761 0.316 2.909 313 HZ1 LYS 44 3HZ LYS 44 -7.656 0.896 5.210 314 HZ2 LYS 44 1HZ LYS 44 -7.774 -0.740 5.143 315 HZ3 LYS 44 2HZ LYS 44 -9.083 0.149 5.555 316 H SER 45 H SER 45 -10.805 0.408 -1.781 317 HA SER 45 HA SER 45 -13.244 -1.239 -1.288 318 HG SER 45 HG SER 45 -12.993 0.581 -3.567 319 HB2 SER 45 1HB SER 45 -11.363 -1.014 -3.687 320 HB3 SER 45 2HB SER 45 -12.616 -2.250 -3.538 321 H LEU 46 H LEU 46 -13.033 -3.504 -1.265 322 HA LEU 46 HA LEU 46 -10.376 -4.633 -0.708 323 HG LEU 46 HG LEU 46 -10.474 -6.655 0.950 324 HB2 LEU 46 1HB LEU 46 -11.067 -4.043 1.457 325 HB3 LEU 46 2HB LEU 46 -12.703 -4.626 1.229 326 HD11 LEU 46 1HD1 LEU 46 -11.407 -5.578 3.647 327 HD12 LEU 46 2HD1 LEU 46 -9.791 -5.355 2.942 328 HD13 LEU 46 3HD1 LEU 46 -10.336 -6.977 3.385 329 HD21 LEU 46 3HD2 LEU 46 -12.802 -7.439 0.723 330 HD22 LEU 46 1HD2 LEU 46 -13.189 -6.778 2.325 331 HD23 LEU 46 2HD2 LEU 46 -12.039 -8.122 2.153 332 H LYS 47 H LYS 47 -10.115 -6.670 -1.362 333 HA LYS 47 HA LYS 47 -12.395 -8.222 -2.461 334 HB2 LYS 47 1HB LYS 47 -10.566 -6.841 -4.042 335 HB3 LYS 47 2HB LYS 47 -9.811 -8.413 -3.900 336 HG2 LYS 47 1HG LYS 47 -11.810 -9.542 -4.690 337 HG3 LYS 47 2HG LYS 47 -12.645 -7.992 -4.874 338 HD2 LYS 47 1HD LYS 47 -10.118 -8.868 -6.350 339 HD3 LYS 47 2HD LYS 47 -11.741 -8.920 -7.027 340 HE2 LYS 47 1HE LYS 47 -10.299 -6.374 -6.141 341 HE3 LYS 47 2HE LYS 47 -10.363 -6.977 -7.794 342 HZ1 LYS 47 3HZ LYS 47 -12.784 -6.741 -7.740 343 HZ2 LYS 47 1HZ LYS 47 -12.071 -5.310 -7.429 344 HZ3 LYS 47 2HZ LYS 47 -12.743 -6.161 -6.211 345 H GLU 48 H GLU 48 -12.145 -10.464 -2.431 346 HA GLU 48 HA GLU 48 -9.660 -11.538 -1.174 347 HB2 GLU 48 1HB GLU 48 -12.443 -12.144 -0.121 348 HB3 GLU 48 2HB GLU 48 -10.948 -12.927 0.392 349 HG2 GLU 48 1HG GLU 48 -10.113 -10.756 1.262 350 HG3 GLU 48 2HG GLU 48 -11.635 -9.997 0.795 351 H GLU 49 H GLU 49 -8.927 -13.048 -2.505 352 HA GLU 49 HA GLU 49 -10.810 -14.976 -3.799 353 HB2 GLU 49 1HB GLU 49 -8.233 -13.886 -4.963 354 HB3 GLU 49 2HB GLU 49 -9.176 -15.221 -5.621 355 HG2 GLU 49 1HG GLU 49 -10.111 -12.323 -5.324 356 HG3 GLU 49 2HG GLU 49 -9.564 -13.079 -6.813 357 H ASP 50 H ASP 50 -10.590 -16.960 -3.097 358 HA ASP 50 HA ASP 50 -9.775 -18.832 -2.055 359 HB2 ASP 50 1HB ASP 50 -9.095 -18.705 -4.524 360 HB3 ASP 50 2HB ASP 50 -7.478 -18.281 -3.972 361 H GLY 51 H GLY 51 -8.672 -16.426 -0.628 362 HA2 GLY 51 1HA GLY 51 -7.579 -16.808 1.605 363 HA3 GLY 51 2HA GLY 51 -6.278 -17.658 0.763 364 H GLU 52 H GLU 52 -6.609 -15.504 -1.469 365 HA GLU 52 HA GLU 52 -4.618 -13.625 -0.458 366 HB2 GLU 52 1HB GLU 52 -4.501 -14.434 -2.789 367 HB3 GLU 52 2HB GLU 52 -6.137 -13.821 -3.087 368 HG2 GLU 52 1HG GLU 52 -5.323 -11.482 -2.722 369 HG3 GLU 52 2HG GLU 52 -3.707 -12.108 -2.519 370 H GLU 53 H GLU 53 -4.974 -11.556 0.160 371 HA GLU 53 HA GLU 53 -7.760 -10.463 0.159 372 HB2 GLU 53 1HB GLU 53 -5.578 -10.040 2.241 373 HB3 GLU 53 2HB GLU 53 -7.154 -9.245 2.204 374 HG2 GLU 53 1HG GLU 53 -8.262 -11.473 2.451 375 HG3 GLU 53 2HG GLU 53 -6.678 -12.238 2.553 376 H ILE 54 H ILE 54 -7.987 -8.546 -0.920 377 HA ILE 54 HA ILE 54 -5.500 -7.046 -1.608 378 HB ILE 54 HB ILE 54 -7.968 -7.332 -3.367 379 HG12 ILE 54 1HG1 ILE 54 -5.994 -8.504 -4.836 380 HG13 ILE 54 2HG1 ILE 54 -5.409 -8.953 -3.243 381 HG21 ILE 54 1HG2 ILE 54 -6.839 -5.263 -3.701 382 HG22 ILE 54 2HG2 ILE 54 -5.253 -6.070 -3.690 383 HG23 ILE 54 3HG2 ILE 54 -6.393 -6.311 -5.043 384 HD11 ILE 54 3HD1 ILE 54 -6.799 -10.722 -4.243 385 HD12 ILE 54 1HD1 ILE 54 -7.646 -10.083 -2.824 386 HD13 ILE 54 2HD1 ILE 54 -8.129 -9.610 -4.473 387 H VAL 55 H VAL 55 -5.561 -4.870 -1.367 388 HA VAL 55 HA VAL 55 -8.120 -3.531 -0.595 389 HB VAL 55 HB VAL 55 -5.410 -3.078 0.727 390 HG11 VAL 55 1HG1 VAL 55 -8.168 -1.914 1.254 391 HG12 VAL 55 2HG1 VAL 55 -6.739 -1.694 2.300 392 HG13 VAL 55 3HG1 VAL 55 -6.717 -1.056 0.653 393 HG21 VAL 55 3HG2 VAL 55 -6.539 -4.003 2.782 394 HG22 VAL 55 1HG2 VAL 55 -7.892 -4.519 1.744 395 HG23 VAL 55 2HG2 VAL 55 -6.263 -5.206 1.519 396 H THR 56 H THR 56 -8.509 -1.986 -2.045 397 HA THR 56 HA THR 56 -6.196 -0.446 -3.154 398 HB THR 56 HB THR 56 -7.205 -0.265 -5.290 399 HG1 THR 56 HG1 THR 56 -9.045 -1.469 -5.807 400 HG21 THR 56 3HG2 THR 56 -6.811 -2.504 -6.080 401 HG22 THR 56 1HG2 THR 56 -7.276 -3.225 -4.529 402 HG23 THR 56 2HG2 THR 56 -5.766 -2.304 -4.662 403 H TYR 57 H TYR 57 -6.289 1.750 -3.097 404 HA TYR 57 HA TYR 57 -8.861 3.123 -2.671 405 HD1 TYR 57 HD1 TYR 57 -6.292 1.181 0.086 406 HD2 TYR 57 HD2 TYR 57 -6.311 5.482 -0.190 407 HE1 TYR 57 HE1 TYR 57 -4.255 1.300 1.517 408 HE2 TYR 57 HE2 TYR 57 -4.295 5.596 1.240 409 HH TYR 57 HH TYR 57 -2.790 4.424 2.481 410 HB2 TYR 57 1HB TYR 57 -8.376 4.137 -0.612 411 HB3 TYR 57 2HB TYR 57 -8.330 2.418 -0.467 412 H ASP 58 H ASP 58 -8.072 5.590 -1.897 413 HA ASP 58 HA ASP 58 -5.973 6.535 -3.797 414 HB2 ASP 58 1HB ASP 58 -8.767 7.714 -3.405 415 HB3 ASP 58 2HB ASP 58 -7.528 8.345 -4.469 416 H HIS 59 H HIS 59 -5.246 8.661 -3.252 417 HA HIS 59 HA HIS 59 -5.804 9.628 -0.465 418 HD1 HIS 59 HD1 HIS 59 -2.837 9.031 1.343 419 HD2 HIS 59 HD2 HIS 59 -2.677 7.657 -2.639 420 HE1 HIS 59 HE1 HIS 59 -1.403 6.945 1.344 421 HB2 HIS 59 1HB HIS 59 -3.396 10.256 -2.203 422 HB3 HIS 59 2HB HIS 59 -3.663 10.746 -0.543 423 H LEU 60 H LEU 60 -6.512 11.738 -0.286 424 HA LEU 60 HA LEU 60 -7.010 13.301 -2.784 425 HG LEU 60 HG LEU 60 -8.954 12.158 -3.610 426 HB2 LEU 60 1HB LEU 60 -9.008 12.577 -0.595 427 HB3 LEU 60 2HB LEU 60 -9.203 13.928 -1.697 428 HD11 LEU 60 1HD1 LEU 60 -9.952 10.399 -1.313 429 HD12 LEU 60 2HD1 LEU 60 -8.428 10.161 -2.176 430 HD13 LEU 60 3HD1 LEU 60 -9.937 9.942 -3.046 431 HD21 LEU 60 3HD2 LEU 60 -11.392 11.832 -3.551 432 HD22 LEU 60 1HD2 LEU 60 -10.955 13.488 -3.107 433 HD23 LEU 60 2HD2 LEU 60 -11.425 12.338 -1.843 434 H CYS 61 H CYS 61 -6.437 15.366 -2.624 435 HA CYS 61 HA CYS 61 -5.099 16.486 -0.412 436 HB2 CYS 61 1HB CYS 61 -5.074 17.053 -2.910 437 HB3 CYS 61 2HB CYS 61 -6.581 17.924 -2.659 438 H LYS 62 H LYS 62 -5.806 17.285 1.496 439 HA LYS 62 HA LYS 62 -8.618 17.407 2.169 440 HB2 LYS 62 1HB LYS 62 -7.048 16.943 3.907 441 HB3 LYS 62 2HB LYS 62 -6.077 18.340 3.531 442 HG2 LYS 62 1HG LYS 62 -7.160 18.702 5.620 443 HG3 LYS 62 2HG LYS 62 -7.748 19.855 4.439 444 HD2 LYS 62 1HD LYS 62 -9.760 18.205 4.118 445 HD3 LYS 62 2HD LYS 62 -9.140 17.406 5.563 446 HE2 LYS 62 1HE LYS 62 -10.875 18.900 6.258 447 HE3 LYS 62 2HE LYS 62 -9.336 19.556 6.824 448 HZ1 LYS 62 3HZ LYS 62 -10.745 20.463 4.362 449 HZ2 LYS 62 1HZ LYS 62 -9.383 21.118 4.966 450 HZ3 LYS 62 2HZ LYS 62 -10.784 21.255 5.794 451 H ASN 63 H ASN 63 -6.753 19.598 0.336 452 HA ASN 63 HA ASN 63 -8.374 21.967 1.081 453 HB2 ASN 63 1HB ASN 63 -5.997 22.292 1.034 454 HB3 ASN 63 2HB ASN 63 -5.872 21.675 -0.605 455 HD21 ASN 63 1HD2 ASN 63 -5.640 23.309 -2.079 456 HD22 ASN 63 2HD2 ASN 63 -6.434 24.882 -1.921 457 H CYS 64 H CYS 64 -7.196 20.585 -2.086 458 HA CYS 64 HA CYS 64 -9.651 21.573 -3.355 459 HB2 CYS 64 1HB CYS 64 -8.414 21.160 -5.438 460 HB3 CYS 64 2HB CYS 64 -7.597 22.268 -4.342 461 H HIS 65 H HIS 65 -8.823 18.621 -1.983 462 HA HIS 65 HA HIS 65 -9.427 16.448 -2.241 463 HD1 HIS 65 HD1 HIS 65 -12.366 19.271 -0.948 464 HD2 HIS 65 HD2 HIS 65 -10.815 15.433 -0.069 465 HE1 HIS 65 HE1 HIS 65 -12.334 19.068 1.620 466 HE2 HIS 65 HE2 HIS 65 -11.436 16.710 2.142 467 HB2 HIS 65 1HB HIS 65 -12.051 17.682 -3.057 468 HB3 HIS 65 2HB HIS 65 -11.806 15.984 -2.656 469 H HIS 66 H HIS 66 -8.131 17.663 -4.563 470 HA HIS 66 HA HIS 66 -8.792 16.036 -6.886 471 HD1 HIS 66 HD1 HIS 66 -5.966 15.856 -9.068 472 HD2 HIS 66 HD2 HIS 66 -4.499 17.285 -5.380 473 HE1 HIS 66 HE1 HIS 66 -3.450 15.776 -9.212 474 HB2 HIS 66 1HB HIS 66 -7.471 17.690 -7.604 475 HB3 HIS 66 2HB HIS 66 -6.814 17.986 -6.006 476 H VAL 67 H VAL 67 -7.811 13.963 -7.388 477 HA VAL 67 HA VAL 67 -6.909 12.414 -5.094 478 HB VAL 67 HB VAL 67 -7.120 11.654 -8.032 479 HG11 VAL 67 1HG1 VAL 67 -5.461 10.210 -7.034 480 HG12 VAL 67 2HG1 VAL 67 -6.412 10.048 -5.543 481 HG13 VAL 67 3HG1 VAL 67 -6.982 9.310 -7.040 482 HG21 VAL 67 3HG2 VAL 67 -8.850 10.911 -5.627 483 HG22 VAL 67 1HG2 VAL 67 -9.310 12.082 -6.882 484 HG23 VAL 67 2HG2 VAL 67 -9.087 10.381 -7.303 485 H ILE 68 H ILE 68 -5.044 12.833 -4.268 486 HA ILE 68 HA ILE 68 -2.727 13.937 -5.541 487 HB ILE 68 HB ILE 68 -3.287 12.540 -2.928 488 HG12 ILE 68 1HG1 ILE 68 -2.430 15.370 -3.683 489 HG13 ILE 68 2HG1 ILE 68 -4.099 14.874 -3.442 490 HG21 ILE 68 1HG2 ILE 68 -0.996 13.060 -2.145 491 HG22 ILE 68 2HG2 ILE 68 -0.948 11.896 -3.444 492 HG23 ILE 68 3HG2 ILE 68 -0.556 13.592 -3.776 493 HD11 ILE 68 3HD1 ILE 68 -3.630 14.319 -1.093 494 HD12 ILE 68 1HD1 ILE 68 -1.936 14.841 -1.306 495 HD13 ILE 68 2HD1 ILE 68 -3.234 16.012 -1.495 496 H ALA 69 H ALA 69 -3.633 10.593 -4.685 497 HA ALA 69 HA ALA 69 -1.957 9.391 -6.749 498 HB1 ALA 69 3HB ALA 69 -0.584 8.152 -4.967 499 HB2 ALA 69 1HB ALA 69 -0.249 9.895 -5.076 500 HB3 ALA 69 2HB ALA 69 -1.258 9.266 -3.768 501 H ARG 70 H ARG 70 -2.098 7.002 -6.692 502 HA ARG 70 HA ARG 70 -4.570 5.910 -5.377 503 HE ARG 70 HE ARG 70 -7.489 7.178 -7.964 504 HB2 ARG 70 1HB ARG 70 -3.286 5.304 -8.067 505 HB3 ARG 70 2HB ARG 70 -4.148 4.064 -7.157 506 HG2 ARG 70 1HG ARG 70 -5.735 4.870 -8.635 507 HG3 ARG 70 2HG ARG 70 -6.150 5.506 -7.046 508 HD2 ARG 70 1HD ARG 70 -5.017 7.684 -7.748 509 HD3 ARG 70 2HD ARG 70 -4.847 6.985 -9.371 510 HH11 ARG 70 1HH1 ARG 70 -5.647 8.165 -10.794 511 HH12 ARG 70 2HH1 ARG 70 -7.056 8.834 -11.572 512 HH21 ARG 70 1HH2 ARG 70 -9.194 7.981 -9.003 513 HH22 ARG 70 2HH2 ARG 70 -9.039 8.729 -10.572 514 H HIS 71 H HIS 71 -4.390 4.048 -4.288 515 HA HIS 71 HA HIS 71 -1.659 2.939 -3.707 516 HD2 HIS 71 HD2 HIS 71 -2.653 0.554 -1.020 517 HE1 HIS 71 HE1 HIS 71 0.406 2.691 1.051 518 HE2 HIS 71 HE2 HIS 71 -0.791 0.449 0.834 519 HB2 HIS 71 1HB HIS 71 -2.832 4.433 -1.970 520 HB3 HIS 71 2HB HIS 71 -4.003 3.145 -1.783 521 H GLU 72 H GLU 72 -1.474 0.751 -3.742 522 HA GLU 72 HA GLU 72 -3.882 -0.976 -3.552 523 HB2 GLU 72 1HB GLU 72 -3.536 -0.864 -5.904 524 HB3 GLU 72 2HB GLU 72 -1.780 -0.999 -5.751 525 HG2 GLU 72 1HG GLU 72 -1.886 -3.270 -5.063 526 HG3 GLU 72 2HG GLU 72 -3.641 -3.213 -4.834 527 H TYR 73 H TYR 73 -3.588 -2.557 -2.156 528 HA TYR 73 HA TYR 73 -0.851 -3.534 -1.504 529 HD1 TYR 73 HD1 TYR 73 0.267 -4.518 0.781 530 HD2 TYR 73 HD2 TYR 73 -3.901 -4.151 1.849 531 HE1 TYR 73 HE1 TYR 73 0.529 -6.361 2.405 532 HE2 TYR 73 HE2 TYR 73 -3.634 -5.999 3.472 533 HH TYR 73 HH TYR 73 -2.188 -7.438 4.498 534 HB2 TYR 73 1HB TYR 73 -1.317 -2.258 0.414 535 HB3 TYR 73 2HB TYR 73 -3.028 -2.621 0.369 536 H THR 74 H THR 74 -0.768 -5.673 -1.885 537 HA THR 74 HA THR 74 -3.313 -7.268 -1.758 538 HB THR 74 HB THR 74 -3.044 -8.315 -3.715 539 HG1 THR 74 HG1 THR 74 -1.113 -8.463 -4.877 540 HG21 THR 74 3HG2 THR 74 -2.747 -6.806 -5.517 541 HG22 THR 74 1HG2 THR 74 -1.537 -5.845 -4.640 542 HG23 THR 74 2HG2 THR 74 -3.237 -5.748 -4.189 543 H PHE 75 H PHE 75 -3.184 -9.101 -0.681 544 HA PHE 75 HA PHE 75 -0.492 -10.050 0.263 545 HD1 PHE 75 HD1 PHE 75 0.343 -10.665 2.768 546 HD2 PHE 75 HD2 PHE 75 -3.863 -11.603 2.698 547 HE1 PHE 75 HE1 PHE 75 0.769 -12.617 4.158 548 HE2 PHE 75 HE2 PHE 75 -3.424 -13.638 4.046 549 HZ PHE 75 HZ PHE 75 -1.085 -14.192 4.728 550 HB2 PHE 75 1HB PHE 75 -1.399 -8.963 2.088 551 HB3 PHE 75 2HB PHE 75 -3.035 -9.492 1.795 552 H SER 76 H SER 76 -0.162 -12.209 -0.188 553 HA SER 76 HA SER 76 -2.463 -14.040 -0.831 554 HG SER 76 HG SER 76 -1.801 -12.758 -3.335 555 HB2 SER 76 1HB SER 76 0.037 -13.418 -2.366 556 HB3 SER 76 2HB SER 76 -0.525 -15.081 -2.369 557 H ILE 77 H ILE 77 -2.337 -16.147 -0.146 558 HA ILE 77 HA ILE 77 0.099 -16.935 1.450 559 HB ILE 77 HB ILE 77 -2.717 -17.986 1.808 560 HG12 ILE 77 1HG1 ILE 77 -1.124 -15.844 3.176 561 HG13 ILE 77 2HG1 ILE 77 -2.805 -15.829 2.610 562 HG21 ILE 77 1HG2 ILE 77 -0.863 -19.646 2.259 563 HG22 ILE 77 2HG2 ILE 77 -0.183 -18.490 3.428 564 HG23 ILE 77 3HG2 ILE 77 -1.780 -19.221 3.698 565 HD11 ILE 77 3HD1 ILE 77 -3.361 -17.436 4.485 566 HD12 ILE 77 1HD1 ILE 77 -1.693 -17.187 5.089 567 HD13 ILE 77 2HD1 ILE 77 -2.820 -15.828 5.011 568 H MET 78 H MET 78 1.363 -18.426 0.619 569 HA MET 78 HA MET 78 0.244 -20.385 -1.322 570 HB2 MET 78 1HB MET 78 2.528 -20.395 -2.395 571 HB3 MET 78 2HB MET 78 1.520 -18.978 -2.690 572 HG2 MET 78 1HG MET 78 2.818 -17.589 -1.297 573 HG3 MET 78 2HG MET 78 3.595 -18.942 -0.485 574 HE1 MET 78 3HE MET 78 3.428 -19.213 -4.450 575 HE2 MET 78 1HE MET 78 3.151 -17.482 -4.134 576 HE3 MET 78 2HE MET 78 4.664 -18.024 -4.902 577 H ASP 79 H ASP 79 0.219 -22.333 -0.585 578 HA ASP 79 HA ASP 79 0.588 -24.254 0.529 579 HB2 ASP 79 1HB ASP 79 3.439 -23.525 -0.191 580 HB3 ASP 79 2HB ASP 79 2.934 -25.112 0.385 581 H GLU 80 H GLU 80 3.471 -22.540 1.764 582 HA GLU 80 HA GLU 80 2.569 -22.908 4.583 583 HB2 GLU 80 1HB GLU 80 5.441 -23.381 3.769 584 HB3 GLU 80 2HB GLU 80 4.647 -23.759 5.299 585 HG2 GLU 80 1HG GLU 80 3.290 -25.504 3.993 586 HG3 GLU 80 2HG GLU 80 4.378 -25.175 2.628 587 H PHE 81 H PHE 81 3.307 -20.647 2.319 588 HA PHE 81 HA PHE 81 4.771 -18.927 4.317 589 HD1 PHE 81 HD1 PHE 81 6.816 -20.814 3.776 590 HD2 PHE 81 HD2 PHE 81 5.802 -19.684 -0.237 591 HE1 PHE 81 HE1 PHE 81 8.028 -22.807 2.911 592 HE2 PHE 81 HE2 PHE 81 6.946 -21.683 -1.119 593 HZ PHE 81 HZ PHE 81 8.096 -23.256 0.464 594 HB2 PHE 81 1HB PHE 81 5.154 -18.295 1.413 595 HB3 PHE 81 2HB PHE 81 6.233 -18.186 2.735 596 H GLN 82 H GLN 82 4.564 -16.619 3.686 597 HA GLN 82 HA GLN 82 1.873 -15.895 2.560 598 HB2 GLN 82 1HB GLN 82 3.136 -14.128 4.592 599 HB3 GLN 82 2HB GLN 82 1.426 -14.508 4.261 600 HG2 GLN 82 1HG GLN 82 1.670 -16.642 5.373 601 HG3 GLN 82 2HG GLN 82 3.316 -16.162 5.875 602 HE21 GLN 82 1HE2 GLN 82 0.294 -16.388 7.049 603 HE22 GLN 82 2HE2 GLN 82 0.350 -15.085 8.221 604 H GLU 83 H GLU 83 1.817 -14.123 1.284 605 HA GLU 83 HA GLU 83 4.393 -12.810 0.505 606 HB2 GLU 83 1HB GLU 83 2.086 -13.898 -1.148 607 HB3 GLU 83 2HB GLU 83 2.967 -12.498 -1.722 608 HG2 GLU 83 1HG GLU 83 5.081 -13.752 -1.595 609 HG3 GLU 83 2HG GLU 83 4.174 -15.219 -1.156 610 H TYR 84 H TYR 84 4.395 -10.718 0.690 611 HA TYR 84 HA TYR 84 1.832 -9.165 0.946 612 HD1 TYR 84 HD1 TYR 84 4.378 -10.928 3.468 613 HD2 TYR 84 HD2 TYR 84 1.213 -7.997 3.630 614 HE1 TYR 84 HE1 TYR 84 3.404 -12.102 5.429 615 HE2 TYR 84 HE2 TYR 84 0.296 -9.108 5.651 616 HH TYR 84 HH TYR 84 1.774 -12.119 6.982 617 HB2 TYR 84 1HB TYR 84 4.552 -8.728 2.220 618 HB3 TYR 84 2HB TYR 84 3.232 -7.580 2.270 619 H THR 85 H THR 85 1.579 -7.619 -0.624 620 HA THR 85 HA THR 85 4.029 -6.422 -1.793 621 HB THR 85 HB THR 85 3.625 -6.824 -3.970 622 HG1 THR 85 HG1 THR 85 0.929 -7.599 -3.507 623 HG21 THR 85 3HG2 THR 85 3.007 -9.146 -4.432 624 HG22 THR 85 1HG2 THR 85 2.227 -9.307 -2.842 625 HG23 THR 85 2HG2 THR 85 3.983 -9.090 -2.964 626 H MET 86 H MET 86 3.821 -4.331 -2.296 627 HA MET 86 HA MET 86 1.173 -2.955 -2.149 628 HB2 MET 86 1HB MET 86 2.099 -2.746 0.019 629 HB3 MET 86 2HB MET 86 3.694 -2.271 -0.600 630 HG2 MET 86 1HG MET 86 2.602 -0.213 -1.541 631 HG3 MET 86 2HG MET 86 1.082 -0.735 -0.804 632 HE1 MET 86 3HE MET 86 4.844 0.916 1.295 633 HE2 MET 86 1HE MET 86 4.876 -0.298 -0.003 634 HE3 MET 86 2HE MET 86 4.336 1.349 -0.356 635 H LEU 87 H LEU 87 0.979 -1.258 -3.393 636 HA LEU 87 HA LEU 87 3.183 -0.164 -5.069 637 HG LEU 87 HG LEU 87 2.052 0.534 -7.407 638 HB2 LEU 87 1HB LEU 87 2.184 -2.216 -6.240 639 HB3 LEU 87 2HB LEU 87 0.656 -1.366 -6.251 640 HD11 LEU 87 1HD1 LEU 87 3.835 -0.310 -8.834 641 HD12 LEU 87 2HD1 LEU 87 3.591 -1.958 -8.199 642 HD13 LEU 87 3HD1 LEU 87 4.189 -0.678 -7.133 643 HD21 LEU 87 3HD2 LEU 87 0.152 -0.611 -8.464 644 HD22 LEU 87 1HD2 LEU 87 1.204 -1.975 -8.900 645 HD23 LEU 87 2HD2 LEU 87 1.472 -0.367 -9.620 646 H CYS 88 H CYS 88 2.906 1.895 -4.405 647 HA CYS 88 HA CYS 88 0.390 3.331 -4.994 648 HB2 CYS 88 1HB CYS 88 0.325 2.865 -2.593 649 HB3 CYS 88 2HB CYS 88 1.969 3.400 -2.407 650 H LEU 89 H LEU 89 0.774 5.287 -5.895 651 HA LEU 89 HA LEU 89 3.345 6.039 -6.932 652 HG LEU 89 HG LEU 89 2.409 9.222 -6.831 653 HB2 LEU 89 1HB LEU 89 1.328 6.667 -8.085 654 HB3 LEU 89 2HB LEU 89 0.674 7.454 -6.658 655 HD11 LEU 89 1HD1 LEU 89 4.124 7.926 -8.083 656 HD12 LEU 89 2HD1 LEU 89 3.719 9.496 -8.815 657 HD13 LEU 89 3HD1 LEU 89 3.082 7.990 -9.517 658 HD21 LEU 89 3HD2 LEU 89 0.776 8.798 -9.362 659 HD22 LEU 89 1HD2 LEU 89 1.558 10.314 -8.896 660 HD23 LEU 89 2HD2 LEU 89 0.249 9.661 -7.892 661 H LEU 90 H LEU 90 1.665 6.917 -3.951 662 HA LEU 90 HA LEU 90 3.736 8.943 -3.236 663 HG LEU 90 HG LEU 90 2.479 8.705 -0.171 664 HB2 LEU 90 1HB LEU 90 1.442 9.636 -2.904 665 HB3 LEU 90 2HB LEU 90 1.030 8.137 -2.101 666 HD11 LEU 90 1HD1 LEU 90 4.139 10.099 -1.423 667 HD12 LEU 90 2HD1 LEU 90 3.526 10.803 0.059 668 HD13 LEU 90 3HD1 LEU 90 2.915 11.395 -1.496 669 HD21 LEU 90 3HD2 LEU 90 0.149 9.356 -0.116 670 HD22 LEU 90 1HD2 LEU 90 0.520 10.898 -0.923 671 HD23 LEU 90 2HD2 LEU 90 1.156 10.557 0.711 672 H CYS 91 H CYS 91 1.999 6.255 -1.570 673 HA CYS 91 HA CYS 91 3.855 6.156 0.489 674 HB2 CYS 91 1HB CYS 91 1.806 4.141 -0.449 675 HB3 CYS 91 2HB CYS 91 2.610 4.035 1.109 676 H GLY 92 H GLY 92 3.727 4.223 -2.475 677 HA2 GLY 92 1HA GLY 92 6.090 3.815 -3.264 678 HA3 GLY 92 2HA GLY 92 6.383 3.066 -1.714 679 H LYS 93 H LYS 93 7.197 1.739 -3.707 680 HA LYS 93 HA LYS 93 5.277 -0.504 -4.084 681 HB2 LYS 93 1HB LYS 93 5.831 0.377 -6.217 682 HB3 LYS 93 2HB LYS 93 7.526 0.477 -5.836 683 HG2 LYS 93 1HG LYS 93 7.659 -2.042 -5.700 684 HG3 LYS 93 2HG LYS 93 5.936 -2.124 -6.058 685 HD2 LYS 93 1HD LYS 93 7.144 -2.618 -8.072 686 HD3 LYS 93 2HD LYS 93 6.372 -1.042 -8.284 687 HE2 LYS 93 1HE LYS 93 8.536 0.079 -7.738 688 HE3 LYS 93 2HE LYS 93 9.292 -1.509 -7.529 689 HZ1 LYS 93 3HZ LYS 93 9.696 -0.602 -9.754 690 HZ2 LYS 93 1HZ LYS 93 8.098 -0.523 -10.069 691 HZ3 LYS 93 2HZ LYS 93 8.823 -1.975 -9.870 692 H ALA 94 H ALA 94 5.639 -2.149 -2.835 693 HA ALA 94 HA ALA 94 8.388 -2.986 -2.215 694 HB1 ALA 94 3HB ALA 94 6.269 -2.348 -0.112 695 HB2 ALA 94 1HB ALA 94 7.867 -3.037 0.230 696 HB3 ALA 94 2HB ALA 94 7.734 -1.389 -0.414 697 H GLU 95 H GLU 95 8.585 -5.142 -1.278 698 HA GLU 95 HA GLU 95 6.225 -6.871 -1.249 699 HB2 GLU 95 1HB GLU 95 6.841 -6.889 -3.620 700 HB3 GLU 95 2HB GLU 95 8.528 -7.220 -3.205 701 HG2 GLU 95 1HG GLU 95 7.908 -9.449 -2.352 702 HG3 GLU 95 2HG GLU 95 6.212 -9.120 -2.699 703 H ASP 96 H ASP 96 6.424 -8.578 0.090 704 HA ASP 96 HA ASP 96 9.047 -9.408 1.146 705 HB2 ASP 96 1HB ASP 96 7.908 -7.611 2.673 706 HB3 ASP 96 2HB ASP 96 6.688 -8.821 2.987 707 H THR 97 H THR 97 9.023 -11.554 2.071 708 HA THR 97 HA THR 97 6.472 -13.020 1.906 709 HB THR 97 HB THR 97 8.931 -14.452 0.957 710 HG1 THR 97 HG1 THR 97 8.740 -12.706 -0.456 711 HG21 THR 97 3HG2 THR 97 7.283 -15.826 -0.245 712 HG22 THR 97 1HG2 THR 97 5.985 -14.742 0.306 713 HG23 THR 97 2HG2 THR 97 6.863 -15.737 1.479 714 H ILE 98 H ILE 98 6.123 -14.406 3.575 715 HA ILE 98 HA ILE 98 8.341 -14.824 5.563 716 HB ILE 98 HB ILE 98 5.410 -14.645 6.291 717 HG12 ILE 98 1HG1 ILE 98 7.399 -12.345 6.169 718 HG13 ILE 98 2HG1 ILE 98 5.868 -12.492 5.288 719 HG21 ILE 98 1HG2 ILE 98 6.963 -15.738 7.859 720 HG22 ILE 98 2HG2 ILE 98 7.953 -14.257 7.904 721 HG23 ILE 98 3HG2 ILE 98 6.292 -14.271 8.539 722 HD11 ILE 98 3HD1 ILE 98 5.498 -10.936 7.052 723 HD12 ILE 98 1HD1 ILE 98 4.672 -12.436 7.528 724 HD13 ILE 98 2HD1 ILE 98 6.234 -11.995 8.262 725 H SER 99 H SER 99 8.736 -16.934 6.071 726 HA SER 99 HA SER 99 6.881 -19.038 5.109 727 HG SER 99 HG SER 99 10.661 -19.703 6.434 728 HB2 SER 99 1HB SER 99 8.598 -20.613 5.950 729 HB3 SER 99 2HB SER 99 9.147 -19.506 4.682 730 H ILE 100 H ILE 100 5.453 -20.113 6.382 731 HA ILE 100 HA ILE 100 5.486 -19.613 9.313 732 HB ILE 100 HB ILE 100 3.065 -19.099 9.263 733 HG12 ILE 100 1HG1 ILE 100 2.064 -18.174 7.203 734 HG13 ILE 100 2HG1 ILE 100 3.369 -18.855 6.243 735 HG21 ILE 100 1HG2 ILE 100 3.320 -16.802 8.697 736 HG22 ILE 100 2HG2 ILE 100 4.845 -17.376 9.394 737 HG23 ILE 100 3HG2 ILE 100 4.704 -17.139 7.640 738 HD11 ILE 100 3HD1 ILE 100 1.325 -20.406 7.902 739 HD12 ILE 100 1HD1 ILE 100 1.291 -20.186 6.143 740 HD13 ILE 100 2HD1 ILE 100 2.579 -21.145 6.880 741 H LEU 101 H LEU 101 3.348 -20.730 10.176 742 HA LEU 101 HA LEU 101 3.238 -23.610 9.444 743 HG LEU 101 HG LEU 101 5.835 -22.831 10.855 744 HB2 LEU 101 1HB LEU 101 3.758 -22.197 12.104 745 HB3 LEU 101 2HB LEU 101 3.228 -23.867 12.058 746 HD11 LEU 101 1HD1 LEU 101 5.304 -24.488 13.356 747 HD12 LEU 101 2HD1 LEU 101 5.779 -22.775 13.327 748 HD13 LEU 101 3HD1 LEU 101 6.896 -24.009 12.723 749 HD21 LEU 101 3HD2 LEU 101 6.425 -25.244 10.688 750 HD22 LEU 101 1HD2 LEU 101 5.065 -24.832 9.644 751 HD23 LEU 101 2HD2 LEU 101 4.773 -25.677 11.183 752 HA PRO 102 HA PRO 102 -1.121 -23.044 9.853 753 HB2 PRO 102 1HB PRO 102 -2.057 -25.152 11.389 754 HB3 PRO 102 2HB PRO 102 -1.531 -25.265 9.680 755 HG2 PRO 102 1HG PRO 102 0.098 -25.861 12.165 756 HG3 PRO 102 2HG PRO 102 -0.088 -26.870 10.691 757 HD2 PRO 102 1HD PRO 102 2.064 -25.297 10.998 758 HD3 PRO 102 2HD PRO 102 1.262 -25.392 9.408 759 H ASP 103 H ASP 103 0.742 -22.943 12.757 760 HA ASP 103 HA ASP 103 -1.356 -21.955 14.534 761 HB2 ASP 103 1HB ASP 103 0.733 -23.215 15.218 762 HB3 ASP 103 2HB ASP 103 1.676 -21.793 14.775 763 H ASP 104 H ASP 104 0.127 -20.566 11.886 764 HA ASP 104 HA ASP 104 0.583 -18.545 11.076 765 HB2 ASP 104 1HB ASP 104 -1.889 -18.622 11.215 766 HB3 ASP 104 2HB ASP 104 -1.822 -17.685 12.709 767 HA PRO 105 HA PRO 105 2.776 -16.878 14.894 768 HB2 PRO 105 1HB PRO 105 5.336 -17.693 14.438 769 HB3 PRO 105 2HB PRO 105 4.094 -18.770 15.142 770 HG2 PRO 105 1HG PRO 105 4.955 -18.590 12.231 771 HG3 PRO 105 2HG PRO 105 4.819 -20.055 13.255 772 HD2 PRO 105 1HD PRO 105 2.805 -19.281 11.586 773 HD3 PRO 105 2HD PRO 105 2.481 -20.014 13.183 774 H ARG 106 H ARG 106 3.378 -16.582 11.472 775 HA ARG 106 HA ARG 106 4.473 -15.080 10.121 776 HE ARG 106 HE ARG 106 -0.540 -14.461 10.259 777 HB2 ARG 106 1HB ARG 106 3.204 -13.040 11.976 778 HB3 ARG 106 2HB ARG 106 3.641 -12.842 10.269 779 HG2 ARG 106 1HG ARG 106 2.046 -14.803 9.792 780 HG3 ARG 106 2HG ARG 106 1.464 -14.589 11.450 781 HD2 ARG 106 1HD ARG 106 0.880 -12.223 10.909 782 HD3 ARG 106 2HD ARG 106 1.391 -12.507 9.233 783 HH11 ARG 106 1HH1 ARG 106 -0.287 -11.617 8.207 784 HH12 ARG 106 2HH1 ARG 106 -1.970 -11.704 7.782 785 HH21 ARG 106 1HH2 ARG 106 -2.566 -14.485 9.760 786 HH22 ARG 106 2HH2 ARG 106 -3.264 -13.338 8.617 787 H GLN 107 H GLN 107 6.316 -16.069 11.904 788 HA GLN 107 HA GLN 107 8.371 -15.736 12.881 789 HB2 GLN 107 1HB GLN 107 8.579 -13.838 10.513 790 HB3 GLN 107 2HB GLN 107 9.947 -14.459 11.425 791 HG2 GLN 107 1HG GLN 107 7.972 -16.177 9.859 792 HG3 GLN 107 2HG GLN 107 9.527 -15.645 9.255 793 HE21 GLN 107 1HE2 GLN 107 8.680 -18.398 9.511 794 HE22 GLN 107 2HE2 GLN 107 9.784 -19.150 10.668 Start of MODEL 5 1 HA CYS 2 HA CYS 2 -1.379 14.858 -10.678 2 H1 CYS 2 1H CYS 2 -1.222 15.623 -7.936 3 HB2 CYS 2 1HB CYS 2 -0.227 17.271 -10.777 4 HB3 CYS 2 2HB CYS 2 -1.924 17.021 -10.488 5 H GLY 3 H GLY 3 0.645 13.626 -8.696 6 HA2 GLY 3 1HA GLY 3 2.608 12.430 -8.934 7 HA3 GLY 3 2HA GLY 3 2.783 12.983 -10.593 8 H ASP 4 H ASP 4 2.637 15.859 -9.872 9 HA ASP 4 HA ASP 4 5.369 16.386 -8.990 10 HB2 ASP 4 1HB ASP 4 2.923 18.108 -9.489 11 HB3 ASP 4 2HB ASP 4 4.403 18.776 -8.800 12 H CYS 5 H CYS 5 2.369 15.716 -7.375 13 HA CYS 5 HA CYS 5 2.725 16.937 -4.876 14 HB2 CYS 5 1HB CYS 5 1.377 14.276 -5.570 15 HB3 CYS 5 2HB CYS 5 1.226 15.110 -4.064 16 H VAL 6 H VAL 6 4.311 14.089 -6.257 17 HA VAL 6 HA VAL 6 5.293 13.222 -3.559 18 HB VAL 6 HB VAL 6 5.599 11.057 -4.353 19 HG11 VAL 6 1HG1 VAL 6 3.350 11.647 -3.562 20 HG12 VAL 6 2HG1 VAL 6 2.846 12.031 -5.221 21 HG13 VAL 6 3HG1 VAL 6 3.284 10.379 -4.793 22 HG21 VAL 6 3HG2 VAL 6 4.490 11.791 -7.081 23 HG22 VAL 6 1HG2 VAL 6 6.201 11.427 -6.753 24 HG23 VAL 6 2HG2 VAL 6 4.973 10.191 -6.508 25 H GLU 7 H GLU 7 7.434 13.078 -3.122 26 HA GLU 7 HA GLU 7 9.388 14.485 -4.675 27 HB2 GLU 7 1HB GLU 7 9.476 14.222 -2.194 28 HB3 GLU 7 2HB GLU 7 9.703 12.511 -2.375 29 HG2 GLU 7 1HG GLU 7 11.845 12.962 -3.580 30 HG3 GLU 7 2HG GLU 7 11.601 14.688 -3.280 31 H LYS 8 H LYS 8 8.644 11.027 -4.288 32 HA LYS 8 HA LYS 8 10.188 10.329 -6.752 33 HB2 LYS 8 1HB LYS 8 10.063 8.804 -4.112 34 HB3 LYS 8 2HB LYS 8 10.864 8.231 -5.577 35 HG2 LYS 8 1HG LYS 8 12.503 10.031 -5.465 36 HG3 LYS 8 2HG LYS 8 11.676 10.784 -4.112 37 HD2 LYS 8 1HD LYS 8 13.125 8.132 -4.051 38 HD3 LYS 8 2HD LYS 8 13.656 9.654 -3.350 39 HE2 LYS 8 1HE LYS 8 11.399 7.856 -2.416 40 HE3 LYS 8 2HE LYS 8 12.880 8.286 -1.572 41 HZ1 LYS 8 3HZ LYS 8 10.550 10.069 -2.070 42 HZ2 LYS 8 1HZ LYS 8 11.986 10.638 -1.502 43 HZ3 LYS 8 2HZ LYS 8 11.128 9.561 -0.634 44 H GLU 9 H GLU 9 9.081 8.910 -8.082 45 HA GLU 9 HA GLU 9 6.247 8.288 -7.495 46 HB2 GLU 9 1HB GLU 9 8.113 7.856 -9.862 47 HB3 GLU 9 2HB GLU 9 6.519 7.102 -9.803 48 HG2 GLU 9 1HG GLU 9 5.368 8.996 -10.122 49 HG3 GLU 9 2HG GLU 9 6.528 10.037 -9.297 50 H TYR 10 H TYR 10 5.605 6.443 -6.520 51 HA TYR 10 HA TYR 10 5.731 4.442 -5.423 52 HD1 TYR 10 HD1 TYR 10 5.361 5.403 -9.152 53 HD2 TYR 10 HD2 TYR 10 3.748 2.059 -6.925 54 HE1 TYR 10 HE1 TYR 10 3.169 5.796 -10.172 55 HE2 TYR 10 HE2 TYR 10 1.508 2.502 -7.920 56 HH TYR 10 HH TYR 10 0.293 3.771 -9.396 57 HB2 TYR 10 1HB TYR 10 6.838 3.462 -8.058 58 HB3 TYR 10 2HB TYR 10 6.057 2.512 -6.827 59 HA PRO 11 HA PRO 11 10.302 4.822 -4.451 60 HB2 PRO 11 1HB PRO 11 10.018 5.542 -1.813 61 HB3 PRO 11 2HB PRO 11 9.930 6.727 -3.172 62 HG2 PRO 11 1HG PRO 11 7.601 5.355 -1.800 63 HG3 PRO 11 2HG PRO 11 7.880 7.109 -2.019 64 HD2 PRO 11 1HD PRO 11 6.373 5.794 -3.793 65 HD3 PRO 11 2HD PRO 11 7.605 6.914 -4.405 66 H ASN 12 H ASN 12 11.510 3.081 -3.476 67 HA ASN 12 HA ASN 12 9.885 0.816 -2.550 68 HB2 ASN 12 1HB ASN 12 12.918 1.187 -2.703 69 HB3 ASN 12 2HB ASN 12 12.086 -0.319 -2.320 70 HD21 ASN 12 1HD2 ASN 12 10.116 -0.646 -4.176 71 HD22 ASN 12 2HD2 ASN 12 10.831 -0.608 -5.785 72 H ARG 13 H ARG 13 9.761 -0.006 -0.470 73 HA ARG 13 HA ARG 13 10.691 1.812 1.730 74 HE ARG 13 HE ARG 13 8.444 4.178 3.186 75 HB2 ARG 13 1HB ARG 13 8.097 0.238 1.633 76 HB3 ARG 13 2HB ARG 13 8.623 1.347 2.895 77 HG2 ARG 13 1HG ARG 13 7.721 2.025 0.105 78 HG3 ARG 13 2HG ARG 13 6.966 2.429 1.641 79 HD2 ARG 13 1HD ARG 13 9.439 3.658 0.401 80 HD3 ARG 13 2HD ARG 13 7.931 4.432 0.796 81 HH11 ARG 13 1HH1 ARG 13 11.249 3.932 1.044 82 HH12 ARG 13 2HH1 ARG 13 12.311 4.555 2.277 83 HH21 ARG 13 1HH2 ARG 13 9.911 4.796 4.711 84 HH22 ARG 13 2HH2 ARG 13 11.589 4.968 4.296 85 H GLY 14 H GLY 14 12.163 -0.445 0.801 86 HA2 GLY 14 1HA GLY 14 13.374 -2.223 1.687 87 HA3 GLY 14 2HA GLY 14 13.055 -1.502 3.271 88 H ASN 15 H ASN 15 10.722 -2.782 0.996 89 HA ASN 15 HA ASN 15 9.389 -4.550 0.837 90 HB2 ASN 15 1HB ASN 15 10.605 -5.798 3.331 91 HB3 ASN 15 2HB ASN 15 9.585 -6.547 2.137 92 HD21 ASN 15 1HD2 ASN 15 11.341 -8.129 2.310 93 HD22 ASN 15 2HD2 ASN 15 12.684 -7.929 1.170 94 H THR 16 H THR 16 8.970 -2.153 2.985 95 HA THR 16 HA THR 16 6.947 -3.198 4.779 96 HB THR 16 HB THR 16 7.536 -0.359 3.859 97 HG1 THR 16 HG1 THR 16 9.256 -1.019 4.927 98 HG21 THR 16 3HG2 THR 16 5.845 -1.368 6.167 99 HG22 THR 16 1HG2 THR 16 5.356 -0.300 4.820 100 HG23 THR 16 2HG2 THR 16 6.480 0.289 6.045 101 H CYS 17 H CYS 17 4.905 -3.909 4.165 102 HA CYS 17 HA CYS 17 3.543 -2.542 1.889 103 HG CYS 17 HG CYS 17 5.780 -5.018 1.841 104 HB2 CYS 17 1HB CYS 17 3.370 -5.449 2.762 105 HB3 CYS 17 2HB CYS 17 2.498 -4.712 1.410 106 H LEU 18 H LEU 18 2.027 -1.246 2.730 107 HA LEU 18 HA LEU 18 0.393 -2.077 5.108 108 HG LEU 18 HG LEU 18 1.027 -0.390 7.097 109 HB2 LEU 18 1HB LEU 18 1.724 0.488 4.281 110 HB3 LEU 18 2HB LEU 18 0.207 0.593 5.131 111 HD11 LEU 18 1HD1 LEU 18 2.380 -2.215 6.460 112 HD12 LEU 18 2HD1 LEU 18 3.463 -1.109 7.305 113 HD13 LEU 18 3HD1 LEU 18 3.477 -1.179 5.524 114 HD21 LEU 18 3HD2 LEU 18 2.831 1.143 7.706 115 HD22 LEU 18 1HD2 LEU 18 1.660 1.969 6.665 116 HD23 LEU 18 2HD2 LEU 18 3.212 1.421 5.991 117 H GLU 19 H GLU 19 -1.672 -1.734 5.210 118 HA GLU 19 HA GLU 19 -3.217 -1.221 2.731 119 HB2 GLU 19 1HB GLU 19 -5.050 -2.232 3.876 120 HB3 GLU 19 2HB GLU 19 -3.681 -3.288 4.055 121 HG2 GLU 19 1HG GLU 19 -4.587 -1.350 6.222 122 HG3 GLU 19 2HG GLU 19 -5.204 -2.985 6.046 123 H ASN 20 H ASN 20 -2.112 0.630 5.314 124 HA ASN 20 HA ASN 20 -4.206 2.678 4.875 125 HB2 ASN 20 1HB ASN 20 -3.661 1.266 7.504 126 HB3 ASN 20 2HB ASN 20 -4.137 2.955 7.525 127 HD21 ASN 20 1HD2 ASN 20 -5.510 0.154 8.126 128 HD22 ASN 20 2HD2 ASN 20 -7.105 0.458 7.457 129 H GLY 21 H GLY 21 -3.664 4.776 5.535 130 HA2 GLY 21 1HA GLY 21 -2.175 6.335 6.668 131 HA3 GLY 21 2HA GLY 21 -0.797 5.346 6.201 132 H SER 22 H SER 22 -0.238 7.653 5.646 133 HA SER 22 HA SER 22 -0.313 8.050 2.726 134 HG SER 22 HG SER 22 -2.863 8.939 3.854 135 HB2 SER 22 1HB SER 22 -1.157 10.211 4.714 136 HB3 SER 22 2HB SER 22 -0.636 10.526 3.058 137 H PHE 23 H PHE 23 1.823 8.121 2.239 138 HA PHE 23 HA PHE 23 3.765 8.464 4.294 139 HD1 PHE 23 HD1 PHE 23 5.723 7.940 4.754 140 HD2 PHE 23 HD2 PHE 23 6.249 7.279 0.524 141 HE1 PHE 23 HE1 PHE 23 8.136 7.598 5.104 142 HE2 PHE 23 HE2 PHE 23 8.684 6.971 0.880 143 HZ PHE 23 HZ PHE 23 9.649 7.257 3.170 144 HB2 PHE 23 1HB PHE 23 3.851 6.873 2.422 145 HB3 PHE 23 2HB PHE 23 4.182 8.190 1.314 146 H LEU 24 H LEU 24 3.342 10.563 5.044 147 HA LEU 24 HA LEU 24 3.615 12.937 3.695 148 HG LEU 24 HG LEU 24 2.259 11.595 6.474 149 HB2 LEU 24 1HB LEU 24 4.517 12.434 6.556 150 HB3 LEU 24 2HB LEU 24 4.047 13.976 5.860 151 HD11 LEU 24 1HD1 LEU 24 1.143 13.168 7.975 152 HD12 LEU 24 2HD1 LEU 24 2.247 14.469 7.473 153 HD13 LEU 24 3HD1 LEU 24 2.869 13.059 8.361 154 HD21 LEU 24 3HD2 LEU 24 1.413 12.526 4.375 155 HD22 LEU 24 1HD2 LEU 24 1.493 14.175 5.043 156 HD23 LEU 24 2HD2 LEU 24 0.348 12.982 5.698 157 H LEU 25 H LEU 25 6.317 10.931 4.700 158 HA LEU 25 HA LEU 25 8.369 12.965 4.350 159 HG LEU 25 HG LEU 25 7.896 10.907 6.643 160 HB2 LEU 25 1HB LEU 25 8.480 9.941 4.446 161 HB3 LEU 25 2HB LEU 25 9.910 10.932 4.348 162 HD11 LEU 25 1HD1 LEU 25 9.764 9.964 7.932 163 HD12 LEU 25 2HD1 LEU 25 10.804 10.007 6.490 164 HD13 LEU 25 3HD1 LEU 25 9.387 8.938 6.542 165 HD21 LEU 25 3HD2 LEU 25 9.560 12.343 7.837 166 HD22 LEU 25 1HD2 LEU 25 8.803 13.172 6.479 167 HD23 LEU 25 2HD2 LEU 25 10.456 12.533 6.314 168 H ASN 26 H ASN 26 6.519 11.252 2.039 169 HA ASN 26 HA ASN 26 8.499 11.873 -0.151 170 HB2 ASN 26 1HB ASN 26 7.755 9.479 0.232 171 HB3 ASN 26 2HB ASN 26 6.129 9.954 -0.211 172 HD21 ASN 26 1HD2 ASN 26 5.879 8.961 -2.243 173 HD22 ASN 26 2HD2 ASN 26 6.989 9.239 -3.586 174 H PHE 27 H PHE 27 5.208 12.414 1.099 175 HA PHE 27 HA PHE 27 4.273 13.856 -1.238 176 HD1 PHE 27 HD1 PHE 27 2.076 14.429 -1.895 177 HD2 PHE 27 HD2 PHE 27 2.015 15.887 2.151 178 HE1 PHE 27 HE1 PHE 27 0.268 16.067 -2.524 179 HE2 PHE 27 HE2 PHE 27 0.254 17.531 1.516 180 HZ PHE 27 HZ PHE 27 -0.645 17.575 -0.790 181 HB2 PHE 27 1HB PHE 27 2.726 12.980 0.427 182 HB3 PHE 27 2HB PHE 27 3.377 14.052 1.652 183 H THR 28 H THR 28 5.247 15.617 -2.008 184 HA THR 28 HA THR 28 6.781 17.463 -0.241 185 HB THR 28 HB THR 28 7.428 18.579 -2.365 186 HG1 THR 28 HG1 THR 28 6.839 17.607 -4.296 187 HG21 THR 28 3HG2 THR 28 7.811 15.567 -2.433 188 HG22 THR 28 1HG2 THR 28 8.784 16.692 -1.463 189 HG23 THR 28 2HG2 THR 28 8.837 16.776 -3.234 190 H GLY 29 H GLY 29 3.612 17.190 -1.164 191 HA2 GLY 29 1HA GLY 29 1.935 18.754 -0.471 192 HA3 GLY 29 2HA GLY 29 2.992 20.104 -0.839 193 H CYS 30 H CYS 30 0.317 19.509 -1.869 194 HA CYS 30 HA CYS 30 0.155 18.374 -4.374 195 HB2 CYS 30 1HB CYS 30 -1.663 19.285 -2.745 196 HB3 CYS 30 2HB CYS 30 -1.412 20.828 -3.515 197 H ALA 31 H ALA 31 -0.468 19.420 -6.336 198 HA ALA 31 HA ALA 31 1.043 21.913 -6.954 199 HB1 ALA 31 3HB ALA 31 0.932 19.847 -9.096 200 HB2 ALA 31 1HB ALA 31 2.059 21.176 -8.861 201 HB3 ALA 31 2HB ALA 31 2.182 19.729 -7.816 202 H VAL 32 H VAL 32 -1.991 20.310 -7.045 203 HA VAL 32 HA VAL 32 -3.061 21.965 -9.199 204 HB VAL 32 HB VAL 32 -4.368 20.189 -7.103 205 HG11 VAL 32 1HG1 VAL 32 -6.559 20.571 -8.146 206 HG12 VAL 32 2HG1 VAL 32 -5.955 22.042 -7.390 207 HG13 VAL 32 3HG1 VAL 32 -5.866 21.868 -9.160 208 HG21 VAL 32 3HG2 VAL 32 -5.165 18.932 -9.055 209 HG22 VAL 32 1HG2 VAL 32 -4.401 20.107 -10.155 210 HG23 VAL 32 2HG2 VAL 32 -3.409 19.083 -9.099 211 H CYS 33 H CYS 33 -2.762 22.132 -5.673 212 HA CYS 33 HA CYS 33 -3.631 24.987 -5.710 213 HB2 CYS 33 1HB CYS 33 -4.677 24.612 -3.600 214 HB3 CYS 33 2HB CYS 33 -5.327 23.450 -4.770 215 H SER 34 H SER 34 -1.127 22.824 -4.711 216 HA SER 34 HA SER 34 0.946 23.229 -3.865 217 HG SER 34 HG SER 34 2.573 26.221 -3.977 218 HB2 SER 34 1HB SER 34 0.566 25.576 -4.872 219 HB3 SER 34 2HB SER 34 0.417 26.089 -3.181 220 H LYS 35 H LYS 35 -1.514 22.569 -2.040 221 HA LYS 35 HA LYS 35 -0.551 23.495 0.624 222 HB2 LYS 35 1HB LYS 35 -2.861 21.796 -0.346 223 HB3 LYS 35 2HB LYS 35 -2.428 21.873 1.350 224 HG2 LYS 35 1HG LYS 35 -2.523 24.590 0.281 225 HG3 LYS 35 2HG LYS 35 -4.010 23.735 -0.118 226 HD2 LYS 35 1HD LYS 35 -4.331 23.089 2.208 227 HD3 LYS 35 2HD LYS 35 -2.814 23.873 2.674 228 HE2 LYS 35 1HE LYS 35 -5.250 25.280 1.462 229 HE3 LYS 35 2HE LYS 35 -4.914 25.180 3.192 230 HZ1 LYS 35 3HZ LYS 35 -2.839 26.403 2.803 231 HZ2 LYS 35 1HZ LYS 35 -4.122 27.273 2.297 232 HZ3 LYS 35 2HZ LYS 35 -3.169 26.532 1.203 233 H ARG 36 H ARG 36 0.269 22.225 2.249 234 HA ARG 36 HA ARG 36 1.211 19.452 1.605 235 HE ARG 36 HE ARG 36 5.638 21.268 3.861 236 HB2 ARG 36 1HB ARG 36 3.040 21.071 1.458 237 HB3 ARG 36 2HB ARG 36 2.745 21.549 3.136 238 HG2 ARG 36 1HG ARG 36 3.561 19.527 4.006 239 HG3 ARG 36 2HG ARG 36 3.256 18.637 2.503 240 HD2 ARG 36 1HD ARG 36 5.654 18.963 2.903 241 HD3 ARG 36 2HD ARG 36 5.070 19.650 1.394 242 HH11 ARG 36 1HH1 ARG 36 5.857 21.047 0.327 243 HH12 ARG 36 2HH1 ARG 36 6.562 22.635 0.226 244 HH21 ARG 36 1HH2 ARG 36 6.542 23.261 3.594 245 HH22 ARG 36 2HH2 ARG 36 6.943 23.838 2.006 246 H ASP 37 H ASP 37 1.535 18.123 3.567 247 HA ASP 37 HA ASP 37 0.530 16.966 5.204 248 HB2 ASP 37 1HB ASP 37 0.533 17.878 7.377 249 HB3 ASP 37 2HB ASP 37 1.985 18.309 6.499 250 H PHE 38 H PHE 38 -1.221 17.992 3.335 251 HA PHE 38 HA PHE 38 -3.876 18.010 4.690 252 HD1 PHE 38 HD1 PHE 38 -2.365 20.392 5.370 253 HD2 PHE 38 HD2 PHE 38 -5.884 20.871 2.928 254 HE1 PHE 38 HE1 PHE 38 -3.089 22.291 6.777 255 HE2 PHE 38 HE2 PHE 38 -6.595 22.790 4.316 256 HZ PHE 38 HZ PHE 38 -5.202 23.504 6.260 257 HB2 PHE 38 1HB PHE 38 -2.767 19.723 2.514 258 HB3 PHE 38 2HB PHE 38 -4.421 19.211 2.363 259 H MET 39 H MET 39 -4.455 15.927 4.513 260 HA MET 39 HA MET 39 -5.315 15.052 1.920 261 HB2 MET 39 1HB MET 39 -4.150 12.762 2.053 262 HB3 MET 39 2HB MET 39 -3.291 14.116 1.398 263 HG2 MET 39 1HG MET 39 -2.867 13.878 4.312 264 HG3 MET 39 2HG MET 39 -2.492 12.381 3.477 265 HE1 MET 39 3HE MET 39 0.440 13.195 1.173 266 HE2 MET 39 1HE MET 39 -0.900 12.105 1.565 267 HE3 MET 39 2HE MET 39 -1.190 13.546 0.566 268 H LEU 40 H LEU 40 -6.624 13.411 1.794 269 HA LEU 40 HA LEU 40 -7.901 12.100 4.155 270 HG LEU 40 HG LEU 40 -10.433 14.749 3.238 271 HB2 LEU 40 1HB LEU 40 -9.029 13.677 1.814 272 HB3 LEU 40 2HB LEU 40 -9.927 12.336 2.400 273 HD11 LEU 40 1HD1 LEU 40 -10.390 12.323 5.105 274 HD12 LEU 40 2HD1 LEU 40 -11.653 12.689 3.907 275 HD13 LEU 40 3HD1 LEU 40 -11.423 13.758 5.294 276 HD21 LEU 40 3HD2 LEU 40 -8.474 13.878 5.368 277 HD22 LEU 40 1HD2 LEU 40 -9.577 15.259 5.429 278 HD23 LEU 40 2HD2 LEU 40 -8.270 15.229 4.227 279 H ILE 41 H ILE 41 -9.158 10.166 3.397 280 HA ILE 41 HA ILE 41 -8.105 8.806 0.966 281 HB ILE 41 HB ILE 41 -8.369 7.732 3.793 282 HG12 ILE 41 1HG1 ILE 41 -5.991 7.654 1.872 283 HG13 ILE 41 2HG1 ILE 41 -6.210 8.869 3.128 284 HG21 ILE 41 1HG2 ILE 41 -9.377 6.037 2.354 285 HG22 ILE 41 2HG2 ILE 41 -8.051 6.169 1.184 286 HG23 ILE 41 3HG2 ILE 41 -7.780 5.465 2.790 287 HD11 ILE 41 3HD1 ILE 41 -5.743 5.905 3.579 288 HD12 ILE 41 1HD1 ILE 41 -4.701 7.269 4.004 289 HD13 ILE 41 2HD1 ILE 41 -6.233 7.044 4.859 290 H THR 42 H THR 42 -9.700 7.848 -0.200 291 HA THR 42 HA THR 42 -12.337 7.324 0.987 292 HB THR 42 HB THR 42 -12.170 9.810 0.106 293 HG1 THR 42 HG1 THR 42 -14.067 9.029 0.830 294 HG21 THR 42 3HG2 THR 42 -12.619 10.225 -2.124 295 HG22 THR 42 1HG2 THR 42 -13.246 8.603 -2.443 296 HG23 THR 42 2HG2 THR 42 -11.501 8.850 -2.287 297 H ASN 43 H ASN 43 -13.862 6.480 -0.783 298 HA ASN 43 HA ASN 43 -14.441 4.751 -2.051 299 HB2 ASN 43 1HB ASN 43 -14.179 5.265 -4.176 300 HB3 ASN 43 2HB ASN 43 -13.171 6.594 -3.617 301 HD21 ASN 43 1HD2 ASN 43 -10.736 5.655 -3.155 302 HD22 ASN 43 2HD2 ASN 43 -10.090 4.933 -4.636 303 H LYS 44 H LYS 44 -12.253 4.223 -0.055 304 HA LYS 44 HA LYS 44 -10.519 2.184 -0.735 305 HB2 LYS 44 1HB LYS 44 -10.869 3.513 1.490 306 HB3 LYS 44 2HB LYS 44 -12.009 2.220 1.889 307 HG2 LYS 44 1HG LYS 44 -10.058 0.581 1.352 308 HG3 LYS 44 2HG LYS 44 -9.035 2.021 1.420 309 HD2 LYS 44 1HD LYS 44 -9.912 2.463 3.759 310 HD3 LYS 44 2HD LYS 44 -10.744 0.900 3.658 311 HE2 LYS 44 1HE LYS 44 -8.699 0.417 4.759 312 HE3 LYS 44 2HE LYS 44 -8.492 -0.155 3.101 313 HZ1 LYS 44 3HZ LYS 44 -7.355 2.076 2.690 314 HZ2 LYS 44 1HZ LYS 44 -6.548 1.066 3.692 315 HZ3 LYS 44 2HZ LYS 44 -7.367 2.298 4.331 316 H SER 45 H SER 45 -10.829 0.394 -1.735 317 HA SER 45 HA SER 45 -13.223 -1.311 -1.218 318 HG SER 45 HG SER 45 -13.011 0.499 -3.469 319 HB2 SER 45 1HB SER 45 -11.343 -1.079 -3.612 320 HB3 SER 45 2HB SER 45 -12.586 -2.326 -3.444 321 H LEU 46 H LEU 46 -12.968 -3.551 -1.157 322 HA LEU 46 HA LEU 46 -10.305 -4.656 -0.595 323 HG LEU 46 HG LEU 46 -10.380 -6.652 1.086 324 HB2 LEU 46 1HB LEU 46 -10.979 -4.031 1.571 325 HB3 LEU 46 2HB LEU 46 -12.614 -4.631 1.366 326 HD11 LEU 46 1HD1 LEU 46 -9.669 -5.326 3.057 327 HD12 LEU 46 2HD1 LEU 46 -10.199 -6.946 3.518 328 HD13 LEU 46 3HD1 LEU 46 -11.273 -5.551 3.788 329 HD21 LEU 46 3HD2 LEU 46 -12.723 -7.424 0.911 330 HD22 LEU 46 1HD2 LEU 46 -13.069 -6.751 2.516 331 HD23 LEU 46 2HD2 LEU 46 -11.931 -8.101 2.330 332 H LYS 47 H LYS 47 -10.055 -6.699 -1.232 333 HA LYS 47 HA LYS 47 -12.358 -8.266 -2.266 334 HB2 LYS 47 1HB LYS 47 -10.541 -6.952 -3.926 335 HB3 LYS 47 2HB LYS 47 -9.779 -8.512 -3.704 336 HG2 LYS 47 1HG LYS 47 -11.934 -9.619 -4.359 337 HG3 LYS 47 2HG LYS 47 -12.535 -8.009 -4.822 338 HD2 LYS 47 1HD LYS 47 -10.601 -7.808 -6.418 339 HD3 LYS 47 2HD LYS 47 -10.081 -9.440 -5.942 340 HE2 LYS 47 1HE LYS 47 -12.407 -10.251 -6.641 341 HE3 LYS 47 2HE LYS 47 -12.664 -8.651 -7.353 342 HZ1 LYS 47 3HZ LYS 47 -10.527 -10.591 -8.077 343 HZ2 LYS 47 1HZ LYS 47 -10.650 -9.084 -8.729 344 HZ3 LYS 47 2HZ LYS 47 -11.814 -10.199 -9.007 345 H GLU 48 H GLU 48 -12.118 -10.507 -2.176 346 HA GLU 48 HA GLU 48 -9.606 -11.562 -0.959 347 HB2 GLU 48 1HB GLU 48 -12.364 -12.157 0.157 348 HB3 GLU 48 2HB GLU 48 -10.858 -12.928 0.657 349 HG2 GLU 48 1HG GLU 48 -10.018 -10.730 1.469 350 HG3 GLU 48 2HG GLU 48 -11.556 -9.994 1.023 351 H GLU 49 H GLU 49 -8.910 -13.084 -2.301 352 HA GLU 49 HA GLU 49 -10.830 -15.028 -3.508 353 HB2 GLU 49 1HB GLU 49 -8.353 -13.881 -4.826 354 HB3 GLU 49 2HB GLU 49 -9.261 -15.303 -5.376 355 HG2 GLU 49 1HG GLU 49 -11.314 -13.892 -5.584 356 HG3 GLU 49 2HG GLU 49 -10.383 -12.475 -5.096 357 H ASP 50 H ASP 50 -10.585 -17.004 -2.794 358 HA ASP 50 HA ASP 50 -9.735 -18.864 -1.771 359 HB2 ASP 50 1HB ASP 50 -9.096 -18.730 -4.263 360 HB3 ASP 50 2HB ASP 50 -7.465 -18.338 -3.727 361 H GLY 51 H GLY 51 -8.612 -16.442 -0.389 362 HA2 GLY 51 1HA GLY 51 -7.475 -16.787 1.821 363 HA3 GLY 51 2HA GLY 51 -6.188 -17.646 0.970 364 H GLU 52 H GLU 52 -6.555 -15.530 -1.293 365 HA GLU 52 HA GLU 52 -4.553 -13.640 -0.330 366 HB2 GLU 52 1HB GLU 52 -4.448 -14.495 -2.640 367 HB3 GLU 52 2HB GLU 52 -6.086 -13.881 -2.946 368 HG2 GLU 52 1HG GLU 52 -5.225 -11.531 -2.612 369 HG3 GLU 52 2HG GLU 52 -3.612 -12.194 -2.488 370 H GLU 53 H GLU 53 -4.902 -11.556 0.252 371 HA GLU 53 HA GLU 53 -7.684 -10.465 0.282 372 HB2 GLU 53 1HB GLU 53 -5.458 -10.013 2.315 373 HB3 GLU 53 2HB GLU 53 -7.030 -9.208 2.292 374 HG2 GLU 53 1HG GLU 53 -8.140 -11.439 2.587 375 HG3 GLU 53 2HG GLU 53 -6.550 -12.192 2.701 376 H ILE 54 H ILE 54 -7.922 -8.566 -0.810 377 HA ILE 54 HA ILE 54 -5.447 -7.081 -1.569 378 HB ILE 54 HB ILE 54 -7.948 -7.378 -3.280 379 HG12 ILE 54 1HG1 ILE 54 -6.013 -8.584 -4.765 380 HG13 ILE 54 2HG1 ILE 54 -5.383 -8.997 -3.179 381 HG21 ILE 54 1HG2 ILE 54 -5.235 -6.121 -3.669 382 HG22 ILE 54 2HG2 ILE 54 -6.404 -6.376 -4.993 383 HG23 ILE 54 3HG2 ILE 54 -6.819 -5.316 -3.650 384 HD11 ILE 54 3HD1 ILE 54 -7.621 -10.120 -2.681 385 HD12 ILE 54 1HD1 ILE 54 -8.119 -9.706 -4.338 386 HD13 ILE 54 2HD1 ILE 54 -6.782 -10.802 -4.084 387 H VAL 55 H VAL 55 -5.509 -4.893 -1.331 388 HA VAL 55 HA VAL 55 -8.068 -3.567 -0.532 389 HB VAL 55 HB VAL 55 -5.340 -3.116 0.752 390 HG11 VAL 55 1HG1 VAL 55 -6.691 -1.086 0.666 391 HG12 VAL 55 2HG1 VAL 55 -8.075 -1.951 1.393 392 HG13 VAL 55 3HG1 VAL 55 -6.567 -1.693 2.320 393 HG21 VAL 55 3HG2 VAL 55 -6.191 -5.235 1.562 394 HG22 VAL 55 1HG2 VAL 55 -6.414 -4.024 2.828 395 HG23 VAL 55 2HG2 VAL 55 -7.804 -4.531 1.834 396 H THR 56 H THR 56 -8.479 -2.032 -1.989 397 HA THR 56 HA THR 56 -6.190 -0.493 -3.140 398 HB THR 56 HB THR 56 -7.230 -0.331 -5.261 399 HG1 THR 56 HG1 THR 56 -9.068 -1.570 -5.740 400 HG21 THR 56 3HG2 THR 56 -6.847 -2.574 -6.051 401 HG22 THR 56 1HG2 THR 56 -7.247 -3.285 -4.478 402 HG23 THR 56 2HG2 THR 56 -5.758 -2.341 -4.673 403 H TYR 57 H TYR 57 -6.291 1.692 -3.102 404 HA TYR 57 HA TYR 57 -8.853 3.070 -2.723 405 HD1 TYR 57 HD1 TYR 57 -6.375 1.121 0.071 406 HD2 TYR 57 HD2 TYR 57 -6.356 5.426 -0.167 407 HE1 TYR 57 HE1 TYR 57 -4.356 1.209 1.537 408 HE2 TYR 57 HE2 TYR 57 -4.361 5.508 1.299 409 HH TYR 57 HH TYR 57 -2.877 4.313 2.543 410 HB2 TYR 57 1HB TYR 57 -8.396 4.125 -0.661 411 HB3 TYR 57 2HB TYR 57 -8.415 2.398 -0.495 412 H ASP 58 H ASP 58 -8.121 5.542 -1.995 413 HA ASP 58 HA ASP 58 -5.995 6.490 -3.866 414 HB2 ASP 58 1HB ASP 58 -8.946 7.352 -3.709 415 HB3 ASP 58 2HB ASP 58 -7.697 8.283 -4.511 416 H HIS 59 H HIS 59 -5.363 8.675 -3.356 417 HA HIS 59 HA HIS 59 -5.989 9.630 -0.577 418 HD1 HIS 59 HD1 HIS 59 -3.064 8.970 1.321 419 HD2 HIS 59 HD2 HIS 59 -2.723 7.651 -2.662 420 HE1 HIS 59 HE1 HIS 59 -1.590 6.912 1.354 421 HB2 HIS 59 1HB HIS 59 -3.506 10.235 -2.220 422 HB3 HIS 59 2HB HIS 59 -3.825 10.696 -0.563 423 H LEU 60 H LEU 60 -6.593 11.804 -0.364 424 HA LEU 60 HA LEU 60 -6.982 13.407 -2.861 425 HG LEU 60 HG LEU 60 -9.005 12.379 -3.682 426 HB2 LEU 60 1HB LEU 60 -9.030 12.849 -0.672 427 HB3 LEU 60 2HB LEU 60 -9.138 14.174 -1.820 428 HD11 LEU 60 1HD1 LEU 60 -10.037 10.682 -1.354 429 HD12 LEU 60 2HD1 LEU 60 -8.506 10.394 -2.189 430 HD13 LEU 60 3HD1 LEU 60 -9.998 10.223 -3.085 431 HD21 LEU 60 3HD2 LEU 60 -11.453 12.574 -1.876 432 HD22 LEU 60 1HD2 LEU 60 -11.437 12.077 -3.588 433 HD23 LEU 60 2HD2 LEU 60 -10.999 13.726 -3.145 434 H CYS 61 H CYS 61 -6.477 15.504 -2.696 435 HA CYS 61 HA CYS 61 -5.091 16.593 -0.468 436 HB2 CYS 61 1HB CYS 61 -5.053 17.160 -2.976 437 HB3 CYS 61 2HB CYS 61 -6.547 18.052 -2.719 438 H LYS 62 H LYS 62 -5.825 17.392 1.435 439 HA LYS 62 HA LYS 62 -8.649 17.507 2.064 440 HB2 LYS 62 1HB LYS 62 -7.125 17.027 3.821 441 HB3 LYS 62 2HB LYS 62 -6.124 18.410 3.468 442 HG2 LYS 62 1HG LYS 62 -7.206 18.799 5.531 443 HG3 LYS 62 2HG LYS 62 -7.825 19.948 4.355 444 HD2 LYS 62 1HD LYS 62 -9.808 18.328 4.036 445 HD3 LYS 62 2HD LYS 62 -9.205 17.470 5.455 446 HE2 LYS 62 1HE LYS 62 -9.983 20.421 5.366 447 HE3 LYS 62 2HE LYS 62 -11.034 19.122 5.936 448 HZ1 LYS 62 3HZ LYS 62 -9.403 18.655 7.692 449 HZ2 LYS 62 1HZ LYS 62 -9.926 20.194 7.790 450 HZ3 LYS 62 2HZ LYS 62 -8.446 19.883 7.186 451 H ASN 63 H ASN 63 -6.743 19.712 0.284 452 HA ASN 63 HA ASN 63 -8.366 22.086 1.007 453 HB2 ASN 63 1HB ASN 63 -5.995 22.406 0.966 454 HB3 ASN 63 2HB ASN 63 -5.859 21.751 -0.662 455 HD21 ASN 63 1HD2 ASN 63 -5.614 23.347 -2.180 456 HD22 ASN 63 2HD2 ASN 63 -6.406 24.923 -2.063 457 H CYS 64 H CYS 64 -7.151 20.736 -2.151 458 HA CYS 64 HA CYS 64 -9.579 21.738 -3.443 459 HB2 CYS 64 1HB CYS 64 -8.332 21.301 -5.518 460 HB3 CYS 64 2HB CYS 64 -7.519 22.403 -4.414 461 H HIS 65 H HIS 65 -8.791 18.776 -2.076 462 HA HIS 65 HA HIS 65 -9.441 16.628 -2.318 463 HD1 HIS 65 HD1 HIS 65 -12.078 19.645 -1.082 464 HD2 HIS 65 HD2 HIS 65 -11.015 15.668 -0.108 465 HE1 HIS 65 HE1 HIS 65 -12.030 19.514 1.490 466 HE2 HIS 65 HE2 HIS 65 -11.450 17.073 2.073 467 HB2 HIS 65 1HB HIS 65 -12.038 17.917 -3.148 468 HB3 HIS 65 2HB HIS 65 -11.837 16.221 -2.702 469 H HIS 66 H HIS 66 -8.115 17.785 -4.623 470 HA HIS 66 HA HIS 66 -8.783 16.176 -6.957 471 HD1 HIS 66 HD1 HIS 66 -5.939 15.975 -9.113 472 HD2 HIS 66 HD2 HIS 66 -4.482 17.344 -5.400 473 HE1 HIS 66 HE1 HIS 66 -3.421 15.895 -9.250 474 HB2 HIS 66 1HB HIS 66 -7.424 17.813 -7.645 475 HB3 HIS 66 2HB HIS 66 -6.777 18.083 -6.037 476 H VAL 67 H VAL 67 -7.801 14.090 -7.452 477 HA VAL 67 HA VAL 67 -6.956 12.522 -5.144 478 HB VAL 67 HB VAL 67 -7.131 11.777 -8.092 479 HG11 VAL 67 1HG1 VAL 67 -5.528 10.300 -7.004 480 HG12 VAL 67 2HG1 VAL 67 -6.608 10.092 -5.606 481 HG13 VAL 67 3HG1 VAL 67 -7.057 9.440 -7.184 482 HG21 VAL 67 3HG2 VAL 67 -9.146 10.535 -7.398 483 HG22 VAL 67 1HG2 VAL 67 -8.955 11.115 -5.732 484 HG23 VAL 67 2HG2 VAL 67 -9.343 12.253 -7.042 485 H ILE 68 H ILE 68 -5.091 12.901 -4.308 486 HA ILE 68 HA ILE 68 -2.744 13.971 -5.544 487 HB ILE 68 HB ILE 68 -3.329 12.555 -2.942 488 HG12 ILE 68 1HG1 ILE 68 -2.538 15.404 -3.707 489 HG13 ILE 68 2HG1 ILE 68 -4.185 14.866 -3.414 490 HG21 ILE 68 1HG2 ILE 68 -0.969 11.965 -3.465 491 HG22 ILE 68 2HG2 ILE 68 -0.619 13.680 -3.763 492 HG23 ILE 68 3HG2 ILE 68 -1.051 13.101 -2.145 493 HD11 ILE 68 3HD1 ILE 68 -3.268 16.051 -1.509 494 HD12 ILE 68 1HD1 ILE 68 -3.659 14.362 -1.083 495 HD13 ILE 68 2HD1 ILE 68 -1.968 14.885 -1.332 496 H ALA 69 H ALA 69 -3.696 10.621 -4.715 497 HA ALA 69 HA ALA 69 -1.970 9.421 -6.744 498 HB1 ALA 69 3HB ALA 69 -0.304 9.929 -5.029 499 HB2 ALA 69 1HB ALA 69 -1.334 9.273 -3.751 500 HB3 ALA 69 2HB ALA 69 -0.622 8.183 -4.953 501 H ARG 70 H ARG 70 -2.038 7.004 -6.608 502 HA ARG 70 HA ARG 70 -4.549 5.894 -5.402 503 HE ARG 70 HE ARG 70 -7.383 7.332 -8.106 504 HB2 ARG 70 1HB ARG 70 -3.229 5.365 -8.092 505 HB3 ARG 70 2HB ARG 70 -4.114 4.104 -7.237 506 HG2 ARG 70 1HG ARG 70 -5.709 4.953 -8.657 507 HG3 ARG 70 2HG ARG 70 -6.083 5.637 -7.077 508 HD2 ARG 70 1HD ARG 70 -4.902 7.761 -7.820 509 HD3 ARG 70 2HD ARG 70 -4.704 7.022 -9.421 510 HH11 ARG 70 1HH1 ARG 70 -5.435 8.155 -10.921 511 HH12 ARG 70 2HH1 ARG 70 -6.803 8.847 -11.750 512 HH21 ARG 70 1HH2 ARG 70 -9.017 8.163 -9.192 513 HH22 ARG 70 2HH2 ARG 70 -8.811 8.854 -10.783 514 H HIS 71 H HIS 71 -4.385 4.071 -4.305 515 HA HIS 71 HA HIS 71 -1.673 2.928 -3.705 516 HD2 HIS 71 HD2 HIS 71 -2.664 0.536 -1.023 517 HE1 HIS 71 HE1 HIS 71 0.362 2.705 1.055 518 HE2 HIS 71 HE2 HIS 71 -0.805 0.448 0.834 519 HB2 HIS 71 1HB HIS 71 -2.897 4.408 -1.974 520 HB3 HIS 71 2HB HIS 71 -4.040 3.096 -1.810 521 H GLU 72 H GLU 72 -1.478 0.747 -3.707 522 HA GLU 72 HA GLU 72 -3.876 -0.993 -3.539 523 HB2 GLU 72 1HB GLU 72 -3.538 -0.893 -5.887 524 HB3 GLU 72 2HB GLU 72 -1.780 -0.997 -5.745 525 HG2 GLU 72 1HG GLU 72 -1.856 -3.271 -5.032 526 HG3 GLU 72 2HG GLU 72 -3.615 -3.244 -4.819 527 H TYR 73 H TYR 73 -3.561 -2.592 -2.149 528 HA TYR 73 HA TYR 73 -0.814 -3.539 -1.509 529 HD1 TYR 73 HD1 TYR 73 0.329 -4.520 0.770 530 HD2 TYR 73 HD2 TYR 73 -3.826 -4.179 1.875 531 HE1 TYR 73 HE1 TYR 73 0.607 -6.380 2.365 532 HE2 TYR 73 HE2 TYR 73 -3.538 -6.019 3.498 533 HH TYR 73 HH TYR 73 -2.071 -7.444 4.519 534 HB2 TYR 73 1HB TYR 73 -1.255 -2.274 0.410 535 HB3 TYR 73 2HB TYR 73 -2.970 -2.632 0.387 536 H THR 74 H THR 74 -0.719 -5.682 -1.878 537 HA THR 74 HA THR 74 -3.268 -7.282 -1.756 538 HB THR 74 HB THR 74 -2.999 -8.312 -3.723 539 HG1 THR 74 HG1 THR 74 -0.250 -7.605 -3.786 540 HG21 THR 74 3HG2 THR 74 -2.631 -6.797 -5.526 541 HG22 THR 74 1HG2 THR 74 -1.503 -5.805 -4.580 542 HG23 THR 74 2HG2 THR 74 -3.225 -5.783 -4.205 543 H PHE 75 H PHE 75 -3.128 -9.126 -0.665 544 HA PHE 75 HA PHE 75 -0.426 -10.077 0.244 545 HD1 PHE 75 HD1 PHE 75 0.463 -10.670 2.739 546 HD2 PHE 75 HD2 PHE 75 -3.749 -11.577 2.773 547 HE1 PHE 75 HE1 PHE 75 0.907 -12.634 4.129 548 HE2 PHE 75 HE2 PHE 75 -3.294 -13.593 4.144 549 HZ PHE 75 HZ PHE 75 -0.939 -14.145 4.791 550 HB2 PHE 75 1HB PHE 75 -1.273 -8.964 2.073 551 HB3 PHE 75 2HB PHE 75 -2.923 -9.476 1.829 552 H SER 76 H SER 76 -0.119 -12.251 -0.154 553 HA SER 76 HA SER 76 -2.432 -14.080 -0.760 554 HG SER 76 HG SER 76 -1.265 -13.983 -4.001 555 HB2 SER 76 1HB SER 76 0.098 -13.511 -2.245 556 HB3 SER 76 2HB SER 76 -0.427 -15.185 -2.224 557 H ILE 77 H ILE 77 -2.337 -16.175 0.005 558 HA ILE 77 HA ILE 77 0.182 -16.981 1.491 559 HB ILE 77 HB ILE 77 -2.633 -17.996 2.036 560 HG12 ILE 77 1HG1 ILE 77 -0.999 -15.822 3.307 561 HG13 ILE 77 2HG1 ILE 77 -2.692 -15.804 2.765 562 HG21 ILE 77 1HG2 ILE 77 -0.063 -18.434 3.614 563 HG22 ILE 77 2HG2 ILE 77 -1.645 -19.176 3.910 564 HG23 ILE 77 3HG2 ILE 77 -0.737 -19.621 2.474 565 HD11 ILE 77 3HD1 ILE 77 -2.678 -15.759 5.162 566 HD12 ILE 77 1HD1 ILE 77 -3.239 -17.369 4.665 567 HD13 ILE 77 2HD1 ILE 77 -1.562 -17.131 5.248 568 H MET 78 H MET 78 1.291 -18.496 0.442 569 HA MET 78 HA MET 78 -0.198 -20.514 -1.127 570 HB2 MET 78 1HB MET 78 1.501 -20.743 -2.777 571 HB3 MET 78 2HB MET 78 0.505 -19.292 -2.856 572 HG2 MET 78 1HG MET 78 3.326 -19.435 -1.826 573 HG3 MET 78 2HG MET 78 2.825 -18.911 -3.443 574 HE1 MET 78 3HE MET 78 3.316 -16.464 0.222 575 HE2 MET 78 1HE MET 78 3.209 -18.236 0.149 576 HE3 MET 78 2HE MET 78 4.500 -17.392 -0.726 577 H ASP 79 H ASP 79 -0.081 -22.438 -0.530 578 HA ASP 79 HA ASP 79 0.443 -24.382 0.466 579 HB2 ASP 79 1HB ASP 79 3.201 -23.551 -0.463 580 HB3 ASP 79 2HB ASP 79 2.786 -25.171 0.095 581 H GLU 80 H GLU 80 3.348 -22.579 1.469 582 HA GLU 80 HA GLU 80 2.759 -23.103 4.356 583 HB2 GLU 80 1HB GLU 80 5.511 -23.482 3.156 584 HB3 GLU 80 2HB GLU 80 5.011 -23.823 4.800 585 HG2 GLU 80 1HG GLU 80 4.225 -25.361 2.290 586 HG3 GLU 80 2HG GLU 80 5.429 -25.834 3.474 587 H PHE 81 H PHE 81 3.306 -20.711 2.108 588 HA PHE 81 HA PHE 81 4.780 -19.056 4.167 589 HD1 PHE 81 HD1 PHE 81 7.042 -20.762 3.631 590 HD2 PHE 81 HD2 PHE 81 5.730 -19.818 -0.349 591 HE1 PHE 81 HE1 PHE 81 8.314 -22.711 2.763 592 HE2 PHE 81 HE2 PHE 81 6.968 -21.794 -1.231 593 HZ PHE 81 HZ PHE 81 8.277 -23.233 0.330 594 HB2 PHE 81 1HB PHE 81 5.233 -18.337 1.304 595 HB3 PHE 81 2HB PHE 81 6.269 -18.263 2.656 596 H GLN 82 H GLN 82 4.601 -16.716 3.554 597 HA GLN 82 HA GLN 82 1.913 -15.952 2.474 598 HB2 GLN 82 1HB GLN 82 3.207 -14.232 4.542 599 HB3 GLN 82 2HB GLN 82 1.499 -14.555 4.187 600 HG2 GLN 82 1HG GLN 82 1.671 -16.706 5.335 601 HG3 GLN 82 2HG GLN 82 3.359 -16.297 5.760 602 HE21 GLN 82 1HE2 GLN 82 0.051 -15.915 6.742 603 HE22 GLN 82 2HE2 GLN 82 0.415 -14.805 8.054 604 H GLU 83 H GLU 83 1.881 -14.148 1.253 605 HA GLU 83 HA GLU 83 4.443 -12.820 0.495 606 HB2 GLU 83 1HB GLU 83 2.260 -13.974 -1.243 607 HB3 GLU 83 2HB GLU 83 3.015 -12.476 -1.754 608 HG2 GLU 83 1HG GLU 83 5.236 -13.545 -1.658 609 HG3 GLU 83 2HG GLU 83 4.480 -15.075 -1.220 610 H TYR 84 H TYR 84 4.432 -10.747 0.593 611 HA TYR 84 HA TYR 84 1.869 -9.186 0.898 612 HD1 TYR 84 HD1 TYR 84 4.422 -10.997 3.357 613 HD2 TYR 84 HD2 TYR 84 1.350 -7.977 3.611 614 HE1 TYR 84 HE1 TYR 84 3.437 -12.172 5.338 615 HE2 TYR 84 HE2 TYR 84 0.453 -9.058 5.650 616 HH TYR 84 HH TYR 84 0.646 -10.787 7.131 617 HB2 TYR 84 1HB TYR 84 4.623 -8.778 2.124 618 HB3 TYR 84 2HB TYR 84 3.313 -7.620 2.196 619 H THR 85 H THR 85 1.600 -7.633 -0.652 620 HA THR 85 HA THR 85 4.019 -6.427 -1.864 621 HB THR 85 HB THR 85 3.543 -6.765 -4.039 622 HG1 THR 85 HG1 THR 85 1.523 -7.237 -4.872 623 HG21 THR 85 3HG2 THR 85 2.893 -9.062 -4.549 624 HG22 THR 85 1HG2 THR 85 2.147 -9.255 -2.946 625 HG23 THR 85 2HG2 THR 85 3.907 -9.056 -3.103 626 H MET 86 H MET 86 3.814 -4.334 -2.353 627 HA MET 86 HA MET 86 1.186 -2.938 -2.136 628 HB2 MET 86 1HB MET 86 2.143 -2.756 0.025 629 HB3 MET 86 2HB MET 86 3.731 -2.279 -0.614 630 HG2 MET 86 1HG MET 86 2.629 -0.210 -1.518 631 HG3 MET 86 2HG MET 86 1.118 -0.736 -0.764 632 HE1 MET 86 3HE MET 86 4.382 1.336 -0.335 633 HE2 MET 86 1HE MET 86 4.913 0.895 1.304 634 HE3 MET 86 2HE MET 86 4.927 -0.316 0.002 635 H LEU 87 H LEU 87 0.992 -1.234 -3.366 636 HA LEU 87 HA LEU 87 3.186 -0.134 -5.048 637 HG LEU 87 HG LEU 87 2.043 0.556 -7.392 638 HB2 LEU 87 1HB LEU 87 2.199 -2.192 -6.220 639 HB3 LEU 87 2HB LEU 87 0.666 -1.347 -6.236 640 HD11 LEU 87 1HD1 LEU 87 3.844 -0.261 -8.809 641 HD12 LEU 87 2HD1 LEU 87 3.624 -1.914 -8.171 642 HD13 LEU 87 3HD1 LEU 87 4.197 -0.621 -7.106 643 HD21 LEU 87 3HD2 LEU 87 1.241 -1.978 -8.871 644 HD22 LEU 87 1HD2 LEU 87 1.495 -0.373 -9.606 645 HD23 LEU 87 2HD2 LEU 87 0.169 -0.622 -8.456 646 H CYS 88 H CYS 88 2.898 1.923 -4.390 647 HA CYS 88 HA CYS 88 0.385 3.348 -4.993 648 HB2 CYS 88 1HB CYS 88 0.300 2.886 -2.589 649 HB3 CYS 88 2HB CYS 88 1.937 3.443 -2.393 650 H LEU 89 H LEU 89 0.768 5.309 -5.898 651 HA LEU 89 HA LEU 89 3.349 6.069 -6.901 652 HG LEU 89 HG LEU 89 2.402 9.253 -6.811 653 HB2 LEU 89 1HB LEU 89 1.358 6.693 -8.085 654 HB3 LEU 89 2HB LEU 89 0.673 7.480 -6.668 655 HD11 LEU 89 1HD1 LEU 89 3.132 8.029 -9.488 656 HD12 LEU 89 2HD1 LEU 89 4.146 7.950 -8.035 657 HD13 LEU 89 3HD1 LEU 89 3.756 9.528 -8.759 658 HD21 LEU 89 3HD2 LEU 89 1.596 10.350 -8.881 659 HD22 LEU 89 1HD2 LEU 89 0.259 9.675 -7.927 660 HD23 LEU 89 2HD2 LEU 89 0.842 8.832 -9.388 661 H LEU 90 H LEU 90 1.639 6.940 -3.934 662 HA LEU 90 HA LEU 90 3.691 8.985 -3.209 663 HG LEU 90 HG LEU 90 2.418 8.713 -0.141 664 HB2 LEU 90 1HB LEU 90 1.391 9.660 -2.874 665 HB3 LEU 90 2HB LEU 90 0.989 8.149 -2.084 666 HD11 LEU 90 1HD1 LEU 90 3.419 10.848 0.126 667 HD12 LEU 90 2HD1 LEU 90 2.856 11.410 -1.457 668 HD13 LEU 90 3HD1 LEU 90 4.090 10.127 -1.324 669 HD21 LEU 90 3HD2 LEU 90 0.071 9.348 -0.124 670 HD22 LEU 90 1HD2 LEU 90 0.457 10.911 -0.879 671 HD23 LEU 90 2HD2 LEU 90 1.061 10.522 0.757 672 H CYS 91 H CYS 91 1.978 6.266 -1.595 673 HA CYS 91 HA CYS 91 3.812 6.174 0.491 674 HB2 CYS 91 1HB CYS 91 1.779 4.136 -0.446 675 HB3 CYS 91 2HB CYS 91 2.567 4.075 1.120 676 H GLY 92 H GLY 92 3.712 4.194 -2.458 677 HA2 GLY 92 1HA GLY 92 6.109 3.805 -3.203 678 HA3 GLY 92 2HA GLY 92 6.360 3.045 -1.654 679 H LYS 93 H LYS 93 7.206 1.741 -3.659 680 HA LYS 93 HA LYS 93 5.281 -0.494 -4.075 681 HB2 LYS 93 1HB LYS 93 5.835 0.426 -6.188 682 HB3 LYS 93 2HB LYS 93 7.533 0.499 -5.816 683 HG2 LYS 93 1HG LYS 93 7.622 -2.027 -5.710 684 HG3 LYS 93 2HG LYS 93 5.906 -2.066 -6.137 685 HD2 LYS 93 1HD LYS 93 6.447 -0.881 -8.289 686 HD3 LYS 93 2HD LYS 93 8.165 -0.911 -7.842 687 HE2 LYS 93 1HE LYS 93 8.091 -3.396 -7.747 688 HE3 LYS 93 2HE LYS 93 6.380 -3.365 -8.189 689 HZ1 LYS 93 3HZ LYS 93 8.597 -2.364 -9.899 690 HZ2 LYS 93 1HZ LYS 93 7.015 -2.336 -10.309 691 HZ3 LYS 93 2HZ LYS 93 7.788 -3.761 -10.128 692 H ALA 94 H ALA 94 5.631 -2.183 -2.892 693 HA ALA 94 HA ALA 94 8.372 -3.040 -2.265 694 HB1 ALA 94 3HB ALA 94 7.779 -3.189 0.174 695 HB2 ALA 94 1HB ALA 94 7.717 -1.516 -0.414 696 HB3 ALA 94 2HB ALA 94 6.217 -2.443 -0.183 697 H GLU 95 H GLU 95 8.565 -5.220 -1.411 698 HA GLU 95 HA GLU 95 6.206 -6.933 -1.380 699 HB2 GLU 95 1HB GLU 95 6.766 -6.959 -3.759 700 HB3 GLU 95 2HB GLU 95 8.456 -7.315 -3.385 701 HG2 GLU 95 1HG GLU 95 7.838 -9.528 -2.511 702 HG3 GLU 95 2HG GLU 95 6.133 -9.179 -2.784 703 H ASP 96 H ASP 96 6.431 -8.645 -0.015 704 HA ASP 96 HA ASP 96 9.076 -9.454 0.984 705 HB2 ASP 96 1HB ASP 96 7.830 -7.628 2.499 706 HB3 ASP 96 2HB ASP 96 6.815 -8.968 2.952 707 H THR 97 H THR 97 9.082 -11.586 1.956 708 HA THR 97 HA THR 97 6.532 -13.071 1.837 709 HB THR 97 HB THR 97 8.997 -14.494 0.894 710 HG1 THR 97 HG1 THR 97 8.467 -14.020 -1.224 711 HG21 THR 97 3HG2 THR 97 6.048 -14.777 0.270 712 HG22 THR 97 1HG2 THR 97 6.940 -15.800 1.405 713 HG23 THR 97 2HG2 THR 97 7.322 -15.869 -0.324 714 H ILE 98 H ILE 98 6.182 -14.456 3.484 715 HA ILE 98 HA ILE 98 8.368 -14.889 5.494 716 HB ILE 98 HB ILE 98 5.434 -14.710 6.198 717 HG12 ILE 98 1HG1 ILE 98 7.421 -12.414 6.064 718 HG13 ILE 98 2HG1 ILE 98 5.879 -12.573 5.194 719 HG21 ILE 98 1HG2 ILE 98 6.277 -14.359 8.453 720 HG22 ILE 98 2HG2 ILE 98 6.998 -15.803 7.770 721 HG23 ILE 98 3HG2 ILE 98 7.950 -14.297 7.846 722 HD11 ILE 98 3HD1 ILE 98 5.557 -10.985 6.958 723 HD12 ILE 98 1HD1 ILE 98 4.689 -12.464 7.418 724 HD13 ILE 98 2HD1 ILE 98 6.253 -12.069 8.170 725 H SER 99 H SER 99 8.762 -16.987 5.995 726 HA SER 99 HA SER 99 6.959 -19.085 4.948 727 HG SER 99 HG SER 99 10.740 -19.673 6.314 728 HB2 SER 99 1HB SER 99 8.701 -20.651 5.790 729 HB3 SER 99 2HB SER 99 9.249 -19.499 4.563 730 H ILE 100 H ILE 100 5.574 -20.295 6.142 731 HA ILE 100 HA ILE 100 5.536 -19.949 9.098 732 HB ILE 100 HB ILE 100 3.092 -19.562 9.044 733 HG12 ILE 100 1HG1 ILE 100 2.096 -18.503 7.016 734 HG13 ILE 100 2HG1 ILE 100 3.429 -19.113 6.051 735 HG21 ILE 100 1HG2 ILE 100 4.786 -17.766 9.323 736 HG22 ILE 100 2HG2 ILE 100 4.652 -17.411 7.590 737 HG23 ILE 100 3HG2 ILE 100 3.242 -17.215 8.646 738 HD11 ILE 100 3HD1 ILE 100 1.395 -20.785 7.601 739 HD12 ILE 100 1HD1 ILE 100 1.389 -20.486 5.852 740 HD13 ILE 100 2HD1 ILE 100 2.687 -21.447 6.573 741 H LEU 101 H LEU 101 3.459 -21.252 9.859 742 HA LEU 101 HA LEU 101 3.561 -24.075 8.925 743 HG LEU 101 HG LEU 101 6.113 -23.206 10.372 744 HB2 LEU 101 1HB LEU 101 4.010 -22.818 11.675 745 HB3 LEU 101 2HB LEU 101 3.607 -24.514 11.520 746 HD11 LEU 101 1HD1 LEU 101 6.095 -23.317 12.836 747 HD12 LEU 101 2HD1 LEU 101 7.278 -24.440 12.146 748 HD13 LEU 101 3HD1 LEU 101 5.727 -25.056 12.762 749 HD21 LEU 101 3HD2 LEU 101 5.269 -26.140 10.509 750 HD22 LEU 101 1HD2 LEU 101 6.878 -25.550 10.033 751 HD23 LEU 101 2HD2 LEU 101 5.478 -25.170 9.030 752 HA PRO 102 HA PRO 102 -0.827 -23.914 9.456 753 HB2 PRO 102 1HB PRO 102 -1.536 -26.184 10.878 754 HB3 PRO 102 2HB PRO 102 -1.049 -26.149 9.154 755 HG2 PRO 102 1HG PRO 102 0.695 -26.750 11.558 756 HG3 PRO 102 2HG PRO 102 0.548 -27.683 10.032 757 HD2 PRO 102 1HD PRO 102 2.570 -25.957 10.374 758 HD3 PRO 102 2HD PRO 102 1.726 -26.020 8.806 759 H ASP 103 H ASP 103 1.108 -23.890 12.325 760 HA ASP 103 HA ASP 103 -0.995 -23.155 14.210 761 HB2 ASP 103 1HB ASP 103 1.166 -24.350 14.755 762 HB3 ASP 103 2HB ASP 103 2.030 -22.856 14.398 763 H ASP 104 H ASP 104 0.347 -21.488 11.646 764 HA ASP 104 HA ASP 104 0.644 -19.383 10.978 765 HB2 ASP 104 1HB ASP 104 -1.808 -19.647 11.189 766 HB3 ASP 104 2HB ASP 104 -1.749 -18.836 12.753 767 HA PRO 105 HA PRO 105 2.840 -17.844 14.848 768 HB2 PRO 105 1HB PRO 105 5.432 -18.456 14.293 769 HB3 PRO 105 2HB PRO 105 4.276 -19.665 14.928 770 HG2 PRO 105 1HG PRO 105 5.054 -19.197 12.024 771 HG3 PRO 105 2HG PRO 105 5.053 -20.744 12.931 772 HD2 PRO 105 1HD PRO 105 2.940 -20.000 11.375 773 HD3 PRO 105 2HD PRO 105 2.713 -20.865 12.924 774 H ARG 106 H ARG 106 3.360 -17.264 11.439 775 HA ARG 106 HA ARG 106 4.325 -15.582 10.194 776 HE ARG 106 HE ARG 106 -0.670 -15.344 10.334 777 HB2 ARG 106 1HB ARG 106 2.962 -13.796 12.231 778 HB3 ARG 106 2HB ARG 106 3.349 -13.428 10.541 779 HG2 ARG 106 1HG ARG 106 1.858 -15.419 9.905 780 HG3 ARG 106 2HG ARG 106 1.326 -15.428 11.596 781 HD2 ARG 106 1HD ARG 106 0.618 -13.037 11.335 782 HD3 ARG 106 2HD ARG 106 1.022 -13.149 9.604 783 HH11 ARG 106 1HH1 ARG 106 -1.007 -11.893 9.758 784 HH12 ARG 106 2HH1 ARG 106 -2.734 -12.016 9.558 785 HH21 ARG 106 1HH2 ARG 106 -2.803 -15.393 10.295 786 HH22 ARG 106 2HH2 ARG 106 -3.749 -13.996 9.801 787 H GLN 107 H GLN 107 6.268 -16.588 11.841 788 HA GLN 107 HA GLN 107 8.312 -16.205 12.821 789 HB2 GLN 107 1HB GLN 107 8.334 -14.060 10.660 790 HB3 GLN 107 2HB GLN 107 9.760 -14.649 11.503 791 HG2 GLN 107 1HG GLN 107 7.921 -16.357 9.774 792 HG3 GLN 107 2HG GLN 107 9.438 -15.658 9.238 793 HE21 GLN 107 1HE2 GLN 107 8.683 -18.513 9.335 794 HE22 GLN 107 2HE2 GLN 107 9.881 -19.270 10.390 Start of MODEL 6 1 HA CYS 2 HA CYS 2 -1.262 14.959 -10.682 2 H1 CYS 2 1H CYS 2 -1.137 15.666 -7.922 3 HB2 CYS 2 1HB CYS 2 -0.098 17.368 -10.716 4 HB3 CYS 2 2HB CYS 2 -1.801 17.121 -10.451 5 H GLY 3 H GLY 3 0.731 13.684 -8.693 6 HA2 GLY 3 1HA GLY 3 2.692 12.485 -8.926 7 HA3 GLY 3 2HA GLY 3 2.894 13.068 -10.569 8 H ASP 4 H ASP 4 2.742 15.935 -9.777 9 HA ASP 4 HA ASP 4 5.468 16.428 -8.844 10 HB2 ASP 4 1HB ASP 4 3.043 18.174 -9.362 11 HB3 ASP 4 2HB ASP 4 4.510 18.821 -8.626 12 H CYS 5 H CYS 5 2.434 15.744 -7.295 13 HA CYS 5 HA CYS 5 2.751 16.913 -4.772 14 HB2 CYS 5 1HB CYS 5 1.433 14.253 -5.520 15 HB3 CYS 5 2HB CYS 5 1.256 15.069 -4.008 16 H VAL 6 H VAL 6 4.333 14.082 -6.181 17 HA VAL 6 HA VAL 6 5.344 13.172 -3.511 18 HB VAL 6 HB VAL 6 5.629 11.022 -4.371 19 HG11 VAL 6 1HG1 VAL 6 2.862 12.022 -5.160 20 HG12 VAL 6 2HG1 VAL 6 3.305 10.363 -4.768 21 HG13 VAL 6 3HG1 VAL 6 3.398 11.612 -3.519 22 HG21 VAL 6 3HG2 VAL 6 6.161 11.467 -6.787 23 HG22 VAL 6 1HG2 VAL 6 4.947 10.217 -6.532 24 HG23 VAL 6 2HG2 VAL 6 4.437 11.828 -7.046 25 H GLU 7 H GLU 7 7.544 13.016 -3.124 26 HA GLU 7 HA GLU 7 9.420 14.445 -4.762 27 HB2 GLU 7 1HB GLU 7 9.720 14.358 -2.392 28 HB3 GLU 7 2HB GLU 7 9.760 12.609 -2.356 29 HG2 GLU 7 1HG GLU 7 11.882 12.548 -3.462 30 HG3 GLU 7 2HG GLU 7 11.823 14.283 -3.815 31 H LYS 8 H LYS 8 8.683 10.990 -4.415 32 HA LYS 8 HA LYS 8 10.045 10.399 -7.003 33 HB2 LYS 8 1HB LYS 8 10.281 8.819 -4.398 34 HB3 LYS 8 2HB LYS 8 10.713 8.172 -5.986 35 HG2 LYS 8 1HG LYS 8 12.399 9.980 -6.265 36 HG3 LYS 8 2HG LYS 8 12.011 10.576 -4.639 37 HD2 LYS 8 1HD LYS 8 12.636 8.359 -3.690 38 HD3 LYS 8 2HD LYS 8 13.120 7.808 -5.297 39 HE2 LYS 8 1HE LYS 8 14.313 10.200 -3.814 40 HE3 LYS 8 2HE LYS 8 15.009 8.579 -3.822 41 HZ1 LYS 8 3HZ LYS 8 14.653 10.281 -6.232 42 HZ2 LYS 8 1HZ LYS 8 15.262 8.762 -6.242 43 HZ3 LYS 8 2HZ LYS 8 16.067 9.962 -5.489 44 H GLU 9 H GLU 9 8.974 8.914 -8.243 45 HA GLU 9 HA GLU 9 6.163 8.300 -7.581 46 HB2 GLU 9 1HB GLU 9 7.976 7.874 -9.990 47 HB3 GLU 9 2HB GLU 9 6.390 7.112 -9.902 48 HG2 GLU 9 1HG GLU 9 5.226 9.001 -10.203 49 HG3 GLU 9 2HG GLU 9 6.381 10.043 -9.373 50 H TYR 10 H TYR 10 5.553 6.463 -6.573 51 HA TYR 10 HA TYR 10 5.703 4.465 -5.479 52 HD1 TYR 10 HD1 TYR 10 5.258 5.413 -9.206 53 HD2 TYR 10 HD2 TYR 10 3.689 2.059 -6.961 54 HE1 TYR 10 HE1 TYR 10 3.042 5.805 -10.184 55 HE2 TYR 10 HE2 TYR 10 1.434 2.503 -7.917 56 HH TYR 10 HH TYR 10 0.190 3.771 -9.365 57 HB2 TYR 10 1HB TYR 10 6.757 3.468 -8.131 58 HB3 TYR 10 2HB TYR 10 5.994 2.529 -6.880 59 HA PRO 11 HA PRO 11 10.292 4.822 -4.589 60 HB2 PRO 11 1HB PRO 11 10.037 5.513 -1.935 61 HB3 PRO 11 2HB PRO 11 9.982 6.720 -3.274 62 HG2 PRO 11 1HG PRO 11 7.635 5.387 -1.892 63 HG3 PRO 11 2HG PRO 11 7.940 7.133 -2.124 64 HD2 PRO 11 1HD PRO 11 6.380 5.813 -3.854 65 HD3 PRO 11 2HD PRO 11 7.595 6.934 -4.501 66 H ASN 12 H ASN 12 11.510 3.097 -3.576 67 HA ASN 12 HA ASN 12 9.879 0.831 -2.657 68 HB2 ASN 12 1HB ASN 12 12.911 1.194 -2.831 69 HB3 ASN 12 2HB ASN 12 12.080 -0.311 -2.438 70 HD21 ASN 12 1HD2 ASN 12 10.097 -0.647 -4.271 71 HD22 ASN 12 2HD2 ASN 12 10.797 -0.614 -5.886 72 H ARG 13 H ARG 13 9.775 -0.001 -0.580 73 HA ARG 13 HA ARG 13 10.711 1.812 1.624 74 HE ARG 13 HE ARG 13 8.445 4.162 3.092 75 HB2 ARG 13 1HB ARG 13 8.130 0.217 1.541 76 HB3 ARG 13 2HB ARG 13 8.656 1.330 2.799 77 HG2 ARG 13 1HG ARG 13 7.726 2.000 0.015 78 HG3 ARG 13 2HG ARG 13 6.979 2.395 1.558 79 HD2 ARG 13 1HD ARG 13 9.433 3.647 0.304 80 HD3 ARG 13 2HD ARG 13 7.921 4.409 0.703 81 HH11 ARG 13 1HH1 ARG 13 11.245 3.942 0.938 82 HH12 ARG 13 2HH1 ARG 13 12.307 4.567 2.168 83 HH21 ARG 13 1HH2 ARG 13 9.914 4.783 4.613 84 HH22 ARG 13 2HH2 ARG 13 11.590 4.967 4.192 85 H GLY 14 H GLY 14 12.186 -0.443 0.670 86 HA2 GLY 14 1HA GLY 14 13.408 -2.221 1.538 87 HA3 GLY 14 2HA GLY 14 13.101 -1.507 3.128 88 H ASN 15 H ASN 15 10.744 -2.777 0.873 89 HA ASN 15 HA ASN 15 9.411 -4.545 0.720 90 HB2 ASN 15 1HB ASN 15 10.663 -5.813 3.184 91 HB3 ASN 15 2HB ASN 15 9.631 -6.552 1.996 92 HD21 ASN 15 1HD2 ASN 15 11.408 -8.123 2.146 93 HD22 ASN 15 2HD2 ASN 15 12.731 -7.910 0.985 94 H THR 16 H THR 16 9.019 -2.168 2.890 95 HA THR 16 HA THR 16 7.016 -3.224 4.702 96 HB THR 16 HB THR 16 7.613 -0.382 3.796 97 HG1 THR 16 HG1 THR 16 9.334 -1.055 4.847 98 HG21 THR 16 3HG2 THR 16 6.576 0.258 5.995 99 HG22 THR 16 1HG2 THR 16 5.926 -1.394 6.105 100 HG23 THR 16 2HG2 THR 16 5.442 -0.307 4.770 101 H CYS 17 H CYS 17 4.952 -3.916 4.111 102 HA CYS 17 HA CYS 17 3.585 -2.533 1.850 103 HG CYS 17 HG CYS 17 5.797 -5.017 1.770 104 HB2 CYS 17 1HB CYS 17 3.403 -5.435 2.739 105 HB3 CYS 17 2HB CYS 17 2.509 -4.702 1.401 106 H LEU 18 H LEU 18 2.105 -1.211 2.707 107 HA LEU 18 HA LEU 18 0.473 -2.009 5.097 108 HG LEU 18 HG LEU 18 1.126 -0.315 7.069 109 HB2 LEU 18 1HB LEU 18 1.820 0.537 4.243 110 HB3 LEU 18 2HB LEU 18 0.307 0.662 5.100 111 HD11 LEU 18 1HD1 LEU 18 2.450 -2.161 6.436 112 HD12 LEU 18 2HD1 LEU 18 3.553 -1.065 7.270 113 HD13 LEU 18 3HD1 LEU 18 3.557 -1.146 5.488 114 HD21 LEU 18 3HD2 LEU 18 2.950 1.199 7.661 115 HD22 LEU 18 1HD2 LEU 18 1.785 2.034 6.622 116 HD23 LEU 18 2HD2 LEU 18 3.327 1.464 5.943 117 H GLU 19 H GLU 19 -1.585 -1.662 5.208 118 HA GLU 19 HA GLU 19 -3.132 -1.172 2.725 119 HB2 GLU 19 1HB GLU 19 -4.991 -2.105 3.909 120 HB3 GLU 19 2HB GLU 19 -3.654 -3.203 4.048 121 HG2 GLU 19 1HG GLU 19 -4.466 -1.267 6.251 122 HG3 GLU 19 2HG GLU 19 -5.114 -2.888 6.074 123 H ASN 20 H ASN 20 -2.051 0.687 5.371 124 HA ASN 20 HA ASN 20 -4.145 2.741 4.849 125 HB2 ASN 20 1HB ASN 20 -3.667 1.303 7.471 126 HB3 ASN 20 2HB ASN 20 -4.108 2.999 7.518 127 HD21 ASN 20 1HD2 ASN 20 -5.541 0.140 7.924 128 HD22 ASN 20 2HD2 ASN 20 -7.117 0.534 7.260 129 H GLY 21 H GLY 21 -3.719 4.827 5.547 130 HA2 GLY 21 1HA GLY 21 -2.375 6.472 6.666 131 HA3 GLY 21 2HA GLY 21 -0.920 5.542 6.313 132 H SER 22 H SER 22 -0.230 7.696 5.654 133 HA SER 22 HA SER 22 -0.328 8.077 2.742 134 HG SER 22 HG SER 22 -2.825 8.953 3.762 135 HB2 SER 22 1HB SER 22 -1.149 10.280 4.690 136 HB3 SER 22 2HB SER 22 -0.594 10.570 3.040 137 H PHE 23 H PHE 23 1.811 8.129 2.243 138 HA PHE 23 HA PHE 23 3.762 8.452 4.296 139 HD1 PHE 23 HD1 PHE 23 5.726 7.929 4.744 140 HD2 PHE 23 HD2 PHE 23 6.221 7.217 0.517 141 HE1 PHE 23 HE1 PHE 23 8.143 7.607 5.076 142 HE2 PHE 23 HE2 PHE 23 8.660 6.941 0.852 143 HZ PHE 23 HZ PHE 23 9.643 7.262 3.131 144 HB2 PHE 23 1HB PHE 23 3.833 6.840 2.440 145 HB3 PHE 23 2HB PHE 23 4.155 8.140 1.313 146 H LEU 24 H LEU 24 3.361 10.567 5.036 147 HA LEU 24 HA LEU 24 3.636 12.926 3.671 148 HG LEU 24 HG LEU 24 2.299 11.624 6.460 149 HB2 LEU 24 1HB LEU 24 4.569 12.439 6.522 150 HB3 LEU 24 2HB LEU 24 4.110 13.980 5.818 151 HD11 LEU 24 1HD1 LEU 24 1.214 13.218 7.964 152 HD12 LEU 24 2HD1 LEU 24 2.329 14.503 7.445 153 HD13 LEU 24 3HD1 LEU 24 2.942 13.090 8.336 154 HD21 LEU 24 3HD2 LEU 24 1.553 14.209 5.026 155 HD22 LEU 24 1HD2 LEU 24 0.400 13.029 5.694 156 HD23 LEU 24 2HD2 LEU 24 1.448 12.559 4.363 157 H LEU 25 H LEU 25 6.351 10.924 4.639 158 HA LEU 25 HA LEU 25 8.394 12.957 4.258 159 HG LEU 25 HG LEU 25 7.940 10.776 6.519 160 HB2 LEU 25 1HB LEU 25 8.545 9.931 4.296 161 HB3 LEU 25 2HB LEU 25 9.948 10.960 4.229 162 HD11 LEU 25 1HD1 LEU 25 9.565 8.911 6.348 163 HD12 LEU 25 2HD1 LEU 25 9.855 9.907 7.781 164 HD13 LEU 25 3HD1 LEU 25 10.903 10.078 6.355 165 HD21 LEU 25 3HD2 LEU 25 9.509 12.274 7.762 166 HD22 LEU 25 1HD2 LEU 25 8.696 13.096 6.432 167 HD23 LEU 25 2HD2 LEU 25 10.388 12.575 6.246 168 H ASN 26 H ASN 26 6.568 11.068 1.975 169 HA ASN 26 HA ASN 26 8.499 11.757 -0.229 170 HB2 ASN 26 1HB ASN 26 7.737 9.383 -0.003 171 HB3 ASN 26 2HB ASN 26 6.081 9.897 -0.259 172 HD21 ASN 26 1HD2 ASN 26 5.891 8.681 -2.279 173 HD22 ASN 26 2HD2 ASN 26 6.782 9.213 -3.713 174 H PHE 27 H PHE 27 5.192 12.247 1.018 175 HA PHE 27 HA PHE 27 4.273 13.808 -1.222 176 HD1 PHE 27 HD1 PHE 27 2.115 14.378 -1.872 177 HD2 PHE 27 HD2 PHE 27 1.943 15.664 2.231 178 HE1 PHE 27 HE1 PHE 27 0.297 16.018 -2.470 179 HE2 PHE 27 HE2 PHE 27 0.164 17.299 1.626 180 HZ PHE 27 HZ PHE 27 -0.678 17.435 -0.696 181 HB2 PHE 27 1HB PHE 27 2.742 12.848 0.440 182 HB3 PHE 27 2HB PHE 27 3.382 13.909 1.675 183 H THR 28 H THR 28 5.286 15.585 -1.911 184 HA THR 28 HA THR 28 6.681 17.417 -0.003 185 HB THR 28 HB THR 28 7.437 18.545 -2.183 186 HG1 THR 28 HG1 THR 28 6.024 17.647 -3.661 187 HG21 THR 28 3HG2 THR 28 9.125 16.773 -2.599 188 HG22 THR 28 1HG2 THR 28 8.181 15.669 -1.568 189 HG23 THR 28 2HG2 THR 28 8.909 17.132 -0.876 190 H GLY 29 H GLY 29 3.616 17.096 -0.809 191 HA2 GLY 29 1HA GLY 29 1.887 18.612 -0.322 192 HA3 GLY 29 2HA GLY 29 2.927 19.987 -0.621 193 H CYS 30 H CYS 30 0.332 19.451 -1.751 194 HA CYS 30 HA CYS 30 0.219 18.330 -4.270 195 HB2 CYS 30 1HB CYS 30 -1.618 19.244 -2.664 196 HB3 CYS 30 2HB CYS 30 -1.339 20.792 -3.417 197 H ALA 31 H ALA 31 -0.404 19.446 -6.212 198 HA ALA 31 HA ALA 31 1.142 21.925 -6.769 199 HB1 ALA 31 3HB ALA 31 2.303 19.772 -7.663 200 HB2 ALA 31 1HB ALA 31 1.062 19.893 -8.951 201 HB3 ALA 31 2HB ALA 31 2.175 21.230 -8.691 202 H VAL 32 H VAL 32 -1.892 20.325 -6.942 203 HA VAL 32 HA VAL 32 -2.928 22.025 -9.077 204 HB VAL 32 HB VAL 32 -4.265 20.213 -7.033 205 HG11 VAL 32 1HG1 VAL 32 -6.445 20.630 -8.082 206 HG12 VAL 32 2HG1 VAL 32 -5.839 22.083 -7.294 207 HG13 VAL 32 3HG1 VAL 32 -5.739 21.942 -9.066 208 HG21 VAL 32 3HG2 VAL 32 -4.273 20.199 -10.087 209 HG22 VAL 32 1HG2 VAL 32 -3.293 19.147 -9.044 210 HG23 VAL 32 2HG2 VAL 32 -5.051 19.002 -9.018 211 H CYS 33 H CYS 33 -2.676 22.121 -5.549 212 HA CYS 33 HA CYS 33 -3.511 24.986 -5.540 213 HB2 CYS 33 1HB CYS 33 -4.582 24.586 -3.450 214 HB3 CYS 33 2HB CYS 33 -5.233 23.449 -4.642 215 H SER 34 H SER 34 -1.078 22.745 -4.523 216 HA SER 34 HA SER 34 1.000 23.085 -3.667 217 HG SER 34 HG SER 34 2.714 26.033 -3.727 218 HB2 SER 34 1HB SER 34 0.699 25.454 -4.648 219 HB3 SER 34 2HB SER 34 0.547 25.952 -2.953 220 H LYS 35 H LYS 35 -1.506 22.504 -1.861 221 HA LYS 35 HA LYS 35 -0.540 23.364 0.816 222 HB2 LYS 35 1HB LYS 35 -2.859 21.697 -0.195 223 HB3 LYS 35 2HB LYS 35 -2.446 21.749 1.506 224 HG2 LYS 35 1HG LYS 35 -2.510 24.479 0.455 225 HG3 LYS 35 2HG LYS 35 -4.006 23.633 0.062 226 HD2 LYS 35 1HD LYS 35 -4.401 23.061 2.366 227 HD3 LYS 35 2HD LYS 35 -2.805 23.704 2.844 228 HE2 LYS 35 1HE LYS 35 -3.526 25.967 2.016 229 HE3 LYS 35 2HE LYS 35 -5.125 25.305 1.654 230 HZ1 LYS 35 3HZ LYS 35 -5.081 26.399 3.823 231 HZ2 LYS 35 1HZ LYS 35 -3.893 25.419 4.359 232 HZ3 LYS 35 2HZ LYS 35 -5.374 24.807 4.031 233 H ARG 36 H ARG 36 0.232 22.048 2.451 234 HA ARG 36 HA ARG 36 1.100 19.269 1.769 235 HE ARG 36 HE ARG 36 5.241 17.266 2.248 236 HB2 ARG 36 1HB ARG 36 2.982 20.903 1.712 237 HB3 ARG 36 2HB ARG 36 2.763 21.133 3.456 238 HG2 ARG 36 1HG ARG 36 3.328 18.843 3.924 239 HG3 ARG 36 2HG ARG 36 3.079 18.357 2.232 240 HD2 ARG 36 1HD ARG 36 5.005 19.722 1.571 241 HD3 ARG 36 2HD ARG 36 5.312 20.106 3.277 242 HH11 ARG 36 1HH1 ARG 36 7.150 19.681 3.932 243 HH12 ARG 36 2HH1 ARG 36 8.309 18.489 4.455 244 HH21 ARG 36 1HH2 ARG 36 6.638 15.835 3.006 245 HH22 ARG 36 2HH2 ARG 36 8.034 16.353 3.916 246 H ASP 37 H ASP 37 1.359 17.880 3.719 247 HA ASP 37 HA ASP 37 0.318 16.744 5.338 248 HB2 ASP 37 1HB ASP 37 0.307 17.630 7.516 249 HB3 ASP 37 2HB ASP 37 1.778 18.052 6.665 250 H PHE 38 H PHE 38 -1.363 17.848 3.446 251 HA PHE 38 HA PHE 38 -4.049 17.885 4.734 252 HD1 PHE 38 HD1 PHE 38 -2.507 20.233 5.472 253 HD2 PHE 38 HD2 PHE 38 -5.978 20.775 2.978 254 HE1 PHE 38 HE1 PHE 38 -3.264 22.091 6.918 255 HE2 PHE 38 HE2 PHE 38 -6.726 22.646 4.404 256 HZ PHE 38 HZ PHE 38 -5.378 23.300 6.408 257 HB2 PHE 38 1HB PHE 38 -2.860 19.603 2.604 258 HB3 PHE 38 2HB PHE 38 -4.521 19.115 2.413 259 H MET 39 H MET 39 -4.611 15.795 4.528 260 HA MET 39 HA MET 39 -5.427 14.946 1.910 261 HB2 MET 39 1HB MET 39 -4.253 12.665 2.026 262 HB3 MET 39 2HB MET 39 -3.379 14.037 1.425 263 HG2 MET 39 1HG MET 39 -3.046 13.729 4.345 264 HG3 MET 39 2HG MET 39 -2.628 12.264 3.480 265 HE1 MET 39 3HE MET 39 -1.039 12.092 1.556 266 HE2 MET 39 1HE MET 39 -1.205 13.599 0.633 267 HE3 MET 39 2HE MET 39 0.370 13.139 1.310 268 H LEU 40 H LEU 40 -6.731 13.299 1.735 269 HA LEU 40 HA LEU 40 -8.062 11.974 4.058 270 HG LEU 40 HG LEU 40 -10.545 14.660 3.119 271 HB2 LEU 40 1HB LEU 40 -9.117 13.597 1.720 272 HB3 LEU 40 2HB LEU 40 -10.050 12.257 2.256 273 HD11 LEU 40 1HD1 LEU 40 -11.596 13.656 5.137 274 HD12 LEU 40 2HD1 LEU 40 -10.575 12.211 4.955 275 HD13 LEU 40 3HD1 LEU 40 -11.803 12.606 3.732 276 HD21 LEU 40 3HD2 LEU 40 -9.736 15.126 5.341 277 HD22 LEU 40 1HD2 LEU 40 -8.403 15.106 4.166 278 HD23 LEU 40 2HD2 LEU 40 -8.643 13.738 5.280 279 H ILE 41 H ILE 41 -9.333 10.066 3.280 280 HA ILE 41 HA ILE 41 -8.247 8.669 0.880 281 HB ILE 41 HB ILE 41 -8.634 7.621 3.701 282 HG12 ILE 41 1HG1 ILE 41 -6.230 7.420 1.825 283 HG13 ILE 41 2HG1 ILE 41 -6.422 8.663 3.056 284 HG21 ILE 41 1HG2 ILE 41 -8.338 5.984 1.131 285 HG22 ILE 41 2HG2 ILE 41 -8.140 5.315 2.761 286 HG23 ILE 41 3HG2 ILE 41 -9.694 5.940 2.269 287 HD11 ILE 41 3HD1 ILE 41 -4.974 7.013 3.972 288 HD12 ILE 41 1HD1 ILE 41 -6.520 6.879 4.821 289 HD13 ILE 41 2HD1 ILE 41 -6.079 5.691 3.570 290 H THR 42 H THR 42 -9.822 7.839 -0.378 291 HA THR 42 HA THR 42 -12.526 7.364 0.683 292 HB THR 42 HB THR 42 -12.266 9.839 -0.163 293 HG1 THR 42 HG1 THR 42 -14.448 9.709 -0.670 294 HG21 THR 42 3HG2 THR 42 -13.240 8.680 -2.778 295 HG22 THR 42 1HG2 THR 42 -11.500 8.872 -2.534 296 HG23 THR 42 2HG2 THR 42 -12.582 10.281 -2.418 297 H ASN 43 H ASN 43 -13.982 6.565 -1.159 298 HA ASN 43 HA ASN 43 -14.538 4.838 -2.455 299 HB2 ASN 43 1HB ASN 43 -14.188 5.372 -4.567 300 HB3 ASN 43 2HB ASN 43 -13.182 6.681 -3.958 301 HD21 ASN 43 1HD2 ASN 43 -10.783 5.692 -3.401 302 HD22 ASN 43 2HD2 ASN 43 -10.090 4.972 -4.862 303 H LYS 44 H LYS 44 -12.368 4.318 -0.419 304 HA LYS 44 HA LYS 44 -10.641 2.264 -1.055 305 HB2 LYS 44 1HB LYS 44 -10.862 3.689 1.037 306 HB3 LYS 44 2HB LYS 44 -12.134 2.572 1.569 307 HG2 LYS 44 1HG LYS 44 -10.669 0.912 2.108 308 HG3 LYS 44 2HG LYS 44 -9.641 1.220 0.700 309 HD2 LYS 44 1HD LYS 44 -8.720 3.221 1.808 310 HD3 LYS 44 2HD LYS 44 -9.643 2.826 3.282 311 HE2 LYS 44 1HE LYS 44 -8.416 0.742 3.535 312 HE3 LYS 44 2HE LYS 44 -7.695 0.922 1.927 313 HZ1 LYS 44 3HZ LYS 44 -7.127 2.625 4.290 314 HZ2 LYS 44 1HZ LYS 44 -6.593 2.962 2.754 315 HZ3 LYS 44 2HZ LYS 44 -6.115 1.612 3.535 316 H SER 45 H SER 45 -10.935 0.405 -1.920 317 HA SER 45 HA SER 45 -13.272 -1.296 -1.198 318 HG SER 45 HG SER 45 -13.585 -0.861 -4.666 319 HB2 SER 45 1HB SER 45 -11.527 -1.160 -3.695 320 HB3 SER 45 2HB SER 45 -12.614 -2.516 -3.359 321 H LEU 46 H LEU 46 -13.001 -3.504 -1.003 322 HA LEU 46 HA LEU 46 -10.313 -4.567 -0.477 323 HG LEU 46 HG LEU 46 -10.363 -6.542 1.237 324 HB2 LEU 46 1HB LEU 46 -10.943 -3.910 1.698 325 HB3 LEU 46 2HB LEU 46 -12.585 -4.505 1.528 326 HD11 LEU 46 1HD1 LEU 46 -11.185 -5.422 3.949 327 HD12 LEU 46 2HD1 LEU 46 -9.604 -5.191 3.171 328 HD13 LEU 46 3HD1 LEU 46 -10.110 -6.813 3.652 329 HD21 LEU 46 3HD2 LEU 46 -13.016 -6.622 2.728 330 HD22 LEU 46 1HD2 LEU 46 -11.883 -7.975 2.525 331 HD23 LEU 46 2HD2 LEU 46 -12.709 -7.310 1.121 332 H LYS 47 H LYS 47 -10.078 -6.627 -1.078 333 HA LYS 47 HA LYS 47 -12.406 -8.197 -2.048 334 HB2 LYS 47 1HB LYS 47 -10.624 -6.882 -3.740 335 HB3 LYS 47 2HB LYS 47 -9.870 -8.451 -3.562 336 HG2 LYS 47 1HG LYS 47 -11.903 -9.600 -4.233 337 HG3 LYS 47 2HG LYS 47 -12.733 -8.053 -4.460 338 HD2 LYS 47 1HD LYS 47 -10.258 -9.007 -5.973 339 HD3 LYS 47 2HD LYS 47 -11.899 -9.094 -6.594 340 HE2 LYS 47 1HE LYS 47 -10.450 -6.502 -5.872 341 HE3 LYS 47 2HE LYS 47 -10.542 -7.189 -7.493 342 HZ1 LYS 47 3HZ LYS 47 -12.965 -6.972 -7.398 343 HZ2 LYS 47 1HZ LYS 47 -12.256 -5.521 -7.185 344 HZ3 LYS 47 2HZ LYS 47 -12.895 -6.305 -5.906 345 H GLU 48 H GLU 48 -12.163 -10.427 -1.940 346 HA GLU 48 HA GLU 48 -9.629 -11.471 -0.752 347 HB2 GLU 48 1HB GLU 48 -12.384 -12.055 0.404 348 HB3 GLU 48 2HB GLU 48 -10.872 -12.831 0.882 349 HG2 GLU 48 1HG GLU 48 -10.002 -10.646 1.677 350 HG3 GLU 48 2HG GLU 48 -11.530 -9.885 1.239 351 H GLU 49 H GLU 49 -8.949 -12.997 -2.117 352 HA GLU 49 HA GLU 49 -10.911 -14.878 -3.306 353 HB2 GLU 49 1HB GLU 49 -9.690 -15.091 -5.302 354 HB3 GLU 49 2HB GLU 49 -10.197 -13.394 -5.047 355 HG2 GLU 49 1HG GLU 49 -7.860 -12.866 -4.332 356 HG3 GLU 49 2HG GLU 49 -7.390 -14.503 -4.823 357 H ASP 50 H ASP 50 -10.695 -16.877 -2.659 358 HA ASP 50 HA ASP 50 -9.824 -18.783 -1.758 359 HB2 ASP 50 1HB ASP 50 -9.252 -18.461 -4.270 360 HB3 ASP 50 2HB ASP 50 -7.609 -18.150 -3.748 361 H GLY 51 H GLY 51 -8.644 -16.424 -0.303 362 HA2 GLY 51 1HA GLY 51 -7.454 -16.872 1.861 363 HA3 GLY 51 2HA GLY 51 -6.192 -17.690 0.935 364 H GLU 52 H GLU 52 -6.623 -15.468 -1.209 365 HA GLU 52 HA GLU 52 -4.589 -13.616 -0.218 366 HB2 GLU 52 1HB GLU 52 -4.500 -14.434 -2.534 367 HB3 GLU 52 2HB GLU 52 -6.136 -13.821 -2.825 368 HG2 GLU 52 1HG GLU 52 -5.305 -11.485 -2.504 369 HG3 GLU 52 2HG GLU 52 -3.685 -12.112 -2.343 370 H GLU 53 H GLU 53 -4.912 -11.517 0.354 371 HA GLU 53 HA GLU 53 -7.692 -10.413 0.437 372 HB2 GLU 53 1HB GLU 53 -5.426 -9.954 2.422 373 HB3 GLU 53 2HB GLU 53 -7.006 -9.160 2.436 374 HG2 GLU 53 1HG GLU 53 -8.099 -11.376 2.785 375 HG3 GLU 53 2HG GLU 53 -6.514 -12.150 2.810 376 H ILE 54 H ILE 54 -7.943 -8.496 -0.659 377 HA ILE 54 HA ILE 54 -5.475 -7.037 -1.481 378 HB ILE 54 HB ILE 54 -8.006 -7.364 -3.142 379 HG12 ILE 54 1HG1 ILE 54 -6.115 -8.601 -4.651 380 HG13 ILE 54 2HG1 ILE 54 -5.458 -8.998 -3.073 381 HG21 ILE 54 1HG2 ILE 54 -6.873 -5.316 -3.572 382 HG22 ILE 54 2HG2 ILE 54 -5.290 -6.127 -3.603 383 HG23 ILE 54 3HG2 ILE 54 -6.484 -6.400 -4.902 384 HD11 ILE 54 3HD1 ILE 54 -7.669 -10.129 -2.523 385 HD12 ILE 54 1HD1 ILE 54 -8.238 -9.719 -4.160 386 HD13 ILE 54 2HD1 ILE 54 -6.891 -10.805 -3.960 387 H VAL 55 H VAL 55 -5.533 -4.853 -1.295 388 HA VAL 55 HA VAL 55 -8.085 -3.496 -0.490 389 HB VAL 55 HB VAL 55 -5.331 -3.020 0.740 390 HG11 VAL 55 1HG1 VAL 55 -8.048 -1.826 1.431 391 HG12 VAL 55 2HG1 VAL 55 -6.509 -1.551 2.299 392 HG13 VAL 55 3HG1 VAL 55 -6.697 -0.981 0.638 393 HG21 VAL 55 3HG2 VAL 55 -6.176 -5.119 1.611 394 HG22 VAL 55 1HG2 VAL 55 -6.368 -3.879 2.855 395 HG23 VAL 55 2HG2 VAL 55 -7.778 -4.400 1.904 396 H THR 56 H THR 56 -8.506 -2.014 -2.003 397 HA THR 56 HA THR 56 -6.233 -0.504 -3.211 398 HB THR 56 HB THR 56 -7.263 -0.398 -5.325 399 HG1 THR 56 HG1 THR 56 -9.110 -1.632 -5.787 400 HG21 THR 56 3HG2 THR 56 -6.891 -2.655 -6.072 401 HG22 THR 56 1HG2 THR 56 -7.287 -3.330 -4.482 402 HG23 THR 56 2HG2 THR 56 -5.799 -2.390 -4.702 403 H TYR 57 H TYR 57 -6.336 1.674 -3.215 404 HA TYR 57 HA TYR 57 -8.898 3.060 -2.892 405 HD1 TYR 57 HD1 TYR 57 -6.409 1.068 -0.309 406 HD2 TYR 57 HD2 TYR 57 -6.501 5.368 -0.044 407 HE1 TYR 57 HE1 TYR 57 -4.394 1.019 1.155 408 HE2 TYR 57 HE2 TYR 57 -4.502 5.317 1.443 409 HH TYR 57 HH TYR 57 -2.903 2.259 2.366 410 HB2 TYR 57 1HB TYR 57 -8.469 4.117 -0.800 411 HB3 TYR 57 2HB TYR 57 -8.493 2.397 -0.632 412 H ASP 58 H ASP 58 -8.158 5.529 -2.122 413 HA ASP 58 HA ASP 58 -5.996 6.478 -3.950 414 HB2 ASP 58 1HB ASP 58 -8.945 7.357 -3.828 415 HB3 ASP 58 2HB ASP 58 -7.677 8.293 -4.594 416 H HIS 59 H HIS 59 -5.358 8.651 -3.409 417 HA HIS 59 HA HIS 59 -6.022 9.590 -0.635 418 HD1 HIS 59 HD1 HIS 59 -3.093 8.950 1.302 419 HD2 HIS 59 HD2 HIS 59 -2.746 7.609 -2.671 420 HE1 HIS 59 HE1 HIS 59 -1.628 6.886 1.356 421 HB2 HIS 59 1HB HIS 59 -3.516 10.200 -2.238 422 HB3 HIS 59 2HB HIS 59 -3.859 10.659 -0.586 423 H LEU 60 H LEU 60 -6.649 11.751 -0.428 424 HA LEU 60 HA LEU 60 -6.973 13.385 -2.917 425 HG LEU 60 HG LEU 60 -8.984 12.419 -3.813 426 HB2 LEU 60 1HB LEU 60 -9.075 12.798 -0.791 427 HB3 LEU 60 2HB LEU 60 -9.146 14.154 -1.905 428 HD11 LEU 60 1HD1 LEU 60 -8.506 10.388 -2.387 429 HD12 LEU 60 2HD1 LEU 60 -9.989 10.246 -3.302 430 HD13 LEU 60 3HD1 LEU 60 -10.046 10.648 -1.557 431 HD21 LEU 60 3HD2 LEU 60 -11.464 12.554 -2.046 432 HD22 LEU 60 1HD2 LEU 60 -11.417 12.119 -3.775 433 HD23 LEU 60 2HD2 LEU 60 -10.989 13.751 -3.263 434 H CYS 61 H CYS 61 -6.441 15.466 -2.718 435 HA CYS 61 HA CYS 61 -5.104 16.525 -0.454 436 HB2 CYS 61 1HB CYS 61 -5.021 17.116 -2.957 437 HB3 CYS 61 2HB CYS 61 -6.510 18.020 -2.714 438 H LYS 62 H LYS 62 -5.885 17.292 1.452 439 HA LYS 62 HA LYS 62 -8.721 17.422 2.016 440 HB2 LYS 62 1HB LYS 62 -7.240 16.911 3.801 441 HB3 LYS 62 2HB LYS 62 -6.231 18.298 3.493 442 HG2 LYS 62 1HG LYS 62 -7.367 18.648 5.536 443 HG3 LYS 62 2HG LYS 62 -7.944 19.823 4.366 444 HD2 LYS 62 1HD LYS 62 -9.932 18.239 3.961 445 HD3 LYS 62 2HD LYS 62 -9.373 17.331 5.366 446 HE2 LYS 62 1HE LYS 62 -10.111 20.293 5.357 447 HE3 LYS 62 2HE LYS 62 -11.198 18.992 5.848 448 HZ1 LYS 62 3HZ LYS 62 -9.631 18.433 7.634 449 HZ2 LYS 62 1HZ LYS 62 -10.131 19.978 7.773 450 HZ3 LYS 62 2HZ LYS 62 -8.637 19.662 7.202 451 H ASN 63 H ASN 63 -6.758 19.643 0.312 452 HA ASN 63 HA ASN 63 -8.379 22.017 1.041 453 HB2 ASN 63 1HB ASN 63 -6.011 22.326 1.069 454 HB3 ASN 63 2HB ASN 63 -5.827 21.697 -0.563 455 HD21 ASN 63 1HD2 ASN 63 -5.557 23.308 -2.064 456 HD22 ASN 63 2HD2 ASN 63 -6.331 24.891 -1.935 457 H CYS 64 H CYS 64 -7.116 20.690 -2.115 458 HA CYS 64 HA CYS 64 -9.512 21.741 -3.435 459 HB2 CYS 64 1HB CYS 64 -8.233 21.324 -5.496 460 HB3 CYS 64 2HB CYS 64 -7.435 22.407 -4.363 461 H HIS 65 H HIS 65 -8.768 18.756 -2.100 462 HA HIS 65 HA HIS 65 -9.430 16.615 -2.382 463 HD1 HIS 65 HD1 HIS 65 -12.065 19.622 -1.123 464 HD2 HIS 65 HD2 HIS 65 -11.047 15.615 -0.224 465 HE1 HIS 65 HE1 HIS 65 -12.062 19.432 1.447 466 HE2 HIS 65 HE2 HIS 65 -11.510 16.972 1.982 467 HB2 HIS 65 1HB HIS 65 -12.002 17.944 -3.225 468 HB3 HIS 65 2HB HIS 65 -11.830 16.238 -2.815 469 H HIS 66 H HIS 66 -8.055 17.784 -4.636 470 HA HIS 66 HA HIS 66 -8.693 16.215 -7.007 471 HD1 HIS 66 HD1 HIS 66 -5.838 16.056 -9.134 472 HD2 HIS 66 HD2 HIS 66 -4.407 17.337 -5.379 473 HE1 HIS 66 HE1 HIS 66 -3.320 15.975 -9.254 474 HB2 HIS 66 1HB HIS 66 -7.326 17.868 -7.639 475 HB3 HIS 66 2HB HIS 66 -6.694 18.097 -6.020 476 H VAL 67 H VAL 67 -7.717 14.126 -7.506 477 HA VAL 67 HA VAL 67 -6.910 12.529 -5.205 478 HB VAL 67 HB VAL 67 -7.036 11.820 -8.165 479 HG11 VAL 67 1HG1 VAL 67 -6.574 10.102 -5.687 480 HG12 VAL 67 2HG1 VAL 67 -6.985 9.473 -7.285 481 HG13 VAL 67 3HG1 VAL 67 -5.458 10.326 -7.055 482 HG21 VAL 67 3HG2 VAL 67 -9.068 10.578 -7.525 483 HG22 VAL 67 1HG2 VAL 67 -8.909 11.139 -5.850 484 HG23 VAL 67 2HG2 VAL 67 -9.266 12.293 -7.154 485 H ILE 68 H ILE 68 -5.052 12.879 -4.333 486 HA ILE 68 HA ILE 68 -2.686 13.955 -5.536 487 HB ILE 68 HB ILE 68 -3.303 12.520 -2.951 488 HG12 ILE 68 1HG1 ILE 68 -2.490 15.372 -3.679 489 HG13 ILE 68 2HG1 ILE 68 -4.144 14.840 -3.416 490 HG21 ILE 68 1HG2 ILE 68 -0.578 13.629 -3.745 491 HG22 ILE 68 2HG2 ILE 68 -1.027 13.055 -2.130 492 HG23 ILE 68 3HG2 ILE 68 -0.945 11.919 -3.451 493 HD11 ILE 68 3HD1 ILE 68 -3.254 15.998 -1.484 494 HD12 ILE 68 1HD1 ILE 68 -3.652 14.304 -1.083 495 HD13 ILE 68 2HD1 ILE 68 -1.957 14.827 -1.306 496 H ALA 69 H ALA 69 -3.673 10.608 -4.738 497 HA ALA 69 HA ALA 69 -1.927 9.405 -6.746 498 HB1 ALA 69 3HB ALA 69 -0.628 8.144 -4.919 499 HB2 ALA 69 1HB ALA 69 -0.277 9.884 -5.011 500 HB3 ALA 69 2HB ALA 69 -1.340 9.259 -3.744 501 H ARG 70 H ARG 70 -2.011 6.993 -6.629 502 HA ARG 70 HA ARG 70 -4.542 5.882 -5.468 503 HE ARG 70 HE ARG 70 -7.335 7.360 -8.192 504 HB2 ARG 70 1HB ARG 70 -3.184 5.368 -8.141 505 HB3 ARG 70 2HB ARG 70 -4.081 4.102 -7.308 506 HG2 ARG 70 1HG ARG 70 -5.653 4.965 -8.749 507 HG3 ARG 70 2HG ARG 70 -6.054 5.628 -7.166 508 HD2 ARG 70 1HD ARG 70 -4.870 7.764 -7.861 509 HD3 ARG 70 2HD ARG 70 -4.634 7.048 -9.466 510 HH11 ARG 70 1HH1 ARG 70 -5.360 8.111 -11.009 511 HH12 ARG 70 2HH1 ARG 70 -6.718 8.788 -11.864 512 HH21 ARG 70 1HH2 ARG 70 -8.955 8.173 -9.309 513 HH22 ARG 70 2HH2 ARG 70 -8.733 8.825 -10.915 514 H HIS 71 H HIS 71 -4.394 4.048 -4.377 515 HA HIS 71 HA HIS 71 -1.684 2.901 -3.763 516 HD2 HIS 71 HD2 HIS 71 -2.681 0.522 -1.107 517 HE1 HIS 71 HE1 HIS 71 0.347 2.654 1.006 518 HE2 HIS 71 HE2 HIS 71 -0.813 0.399 0.747 519 HB2 HIS 71 1HB HIS 71 -2.881 4.398 -2.038 520 HB3 HIS 71 2HB HIS 71 -4.047 3.107 -1.863 521 H GLU 72 H GLU 72 -1.497 0.723 -3.762 522 HA GLU 72 HA GLU 72 -3.904 -1.008 -3.564 523 HB2 GLU 72 1HB GLU 72 -3.584 -0.940 -5.910 524 HB3 GLU 72 2HB GLU 72 -1.823 -1.038 -5.780 525 HG2 GLU 72 1HG GLU 72 -1.887 -3.305 -5.044 526 HG3 GLU 72 2HG GLU 72 -3.646 -3.285 -4.819 527 H TYR 73 H TYR 73 -3.578 -2.581 -2.140 528 HA TYR 73 HA TYR 73 -0.827 -3.550 -1.522 529 HD1 TYR 73 HD1 TYR 73 0.325 -4.531 0.796 530 HD2 TYR 73 HD2 TYR 73 -3.827 -4.092 1.880 531 HE1 TYR 73 HE1 TYR 73 0.571 -6.351 2.437 532 HE2 TYR 73 HE2 TYR 73 -3.577 -5.914 3.535 533 HH TYR 73 HH TYR 73 -0.459 -7.515 4.186 534 HB2 TYR 73 1HB TYR 73 -1.217 -2.261 0.387 535 HB3 TYR 73 2HB TYR 73 -2.938 -2.580 0.386 536 H THR 74 H THR 74 -0.747 -5.687 -1.861 537 HA THR 74 HA THR 74 -3.303 -7.280 -1.692 538 HB THR 74 HB THR 74 -3.050 -8.340 -3.643 539 HG1 THR 74 HG1 THR 74 -0.299 -7.648 -3.742 540 HG21 THR 74 3HG2 THR 74 -1.556 -5.849 -4.546 541 HG22 THR 74 1HG2 THR 74 -3.278 -5.828 -4.170 542 HG23 THR 74 2HG2 THR 74 -2.680 -6.860 -5.475 543 H PHE 75 H PHE 75 -3.148 -9.097 -0.576 544 HA PHE 75 HA PHE 75 -0.435 -10.047 0.314 545 HD1 PHE 75 HD1 PHE 75 0.491 -10.653 2.799 546 HD2 PHE 75 HD2 PHE 75 -3.727 -11.529 2.873 547 HE1 PHE 75 HE1 PHE 75 0.936 -12.609 4.172 548 HE2 PHE 75 HE2 PHE 75 -3.272 -13.581 4.183 549 HZ PHE 75 HZ PHE 75 -0.915 -14.172 4.783 550 HB2 PHE 75 1HB PHE 75 -1.244 -8.932 2.152 551 HB3 PHE 75 2HB PHE 75 -2.898 -9.432 1.934 552 H SER 76 H SER 76 -0.130 -12.202 -0.142 553 HA SER 76 HA SER 76 -2.450 -14.024 -0.730 554 HG SER 76 HG SER 76 -1.401 -13.841 -3.999 555 HB2 SER 76 1HB SER 76 0.036 -13.400 -2.277 556 HB3 SER 76 2HB SER 76 -0.525 -15.071 -2.291 557 H ILE 77 H ILE 77 -2.325 -16.130 -0.042 558 HA ILE 77 HA ILE 77 0.137 -16.936 1.503 559 HB ILE 77 HB ILE 77 -2.675 -17.964 1.942 560 HG12 ILE 77 1HG1 ILE 77 -1.028 -15.822 3.247 561 HG13 ILE 77 2HG1 ILE 77 -2.724 -15.796 2.725 562 HG21 ILE 77 1HG2 ILE 77 -0.095 -18.469 3.489 563 HG22 ILE 77 2HG2 ILE 77 -1.687 -19.186 3.819 564 HG23 ILE 77 3HG2 ILE 77 -0.821 -19.631 2.354 565 HD11 ILE 77 3HD1 ILE 77 -2.672 -15.777 5.127 566 HD12 ILE 77 1HD1 ILE 77 -3.245 -17.382 4.626 567 HD13 ILE 77 2HD1 ILE 77 -1.557 -17.148 5.181 568 H MET 78 H MET 78 1.366 -18.436 0.646 569 HA MET 78 HA MET 78 0.190 -20.401 -1.251 570 HB2 MET 78 1HB MET 78 2.437 -20.427 -2.389 571 HB3 MET 78 2HB MET 78 1.438 -19.000 -2.655 572 HG2 MET 78 1HG MET 78 2.796 -17.622 -1.313 573 HG3 MET 78 2HG MET 78 3.570 -18.979 -0.507 574 HE1 MET 78 3HE MET 78 3.073 -17.530 -4.154 575 HE2 MET 78 1HE MET 78 4.548 -18.127 -4.957 576 HE3 MET 78 2HE MET 78 3.289 -19.272 -4.457 577 H ASP 79 H ASP 79 0.171 -22.341 -0.504 578 HA ASP 79 HA ASP 79 0.560 -24.257 0.578 579 HB2 ASP 79 1HB ASP 79 2.276 -24.181 -1.236 580 HB3 ASP 79 2HB ASP 79 3.460 -23.640 -0.042 581 H GLU 80 H GLU 80 3.483 -22.556 1.760 582 HA GLU 80 HA GLU 80 2.635 -22.901 4.597 583 HB2 GLU 80 1HB GLU 80 5.485 -23.405 3.725 584 HB3 GLU 80 2HB GLU 80 4.732 -23.735 5.291 585 HG2 GLU 80 1HG GLU 80 3.328 -25.499 4.060 586 HG3 GLU 80 2HG GLU 80 4.410 -25.222 2.676 587 H PHE 81 H PHE 81 3.332 -20.663 2.302 588 HA PHE 81 HA PHE 81 4.848 -18.937 4.257 589 HD1 PHE 81 HD1 PHE 81 6.889 -20.848 3.691 590 HD2 PHE 81 HD2 PHE 81 5.765 -19.760 -0.304 591 HE1 PHE 81 HE1 PHE 81 8.058 -22.864 2.814 592 HE2 PHE 81 HE2 PHE 81 6.863 -21.778 -1.196 593 HZ PHE 81 HZ PHE 81 8.048 -23.343 0.371 594 HB2 PHE 81 1HB PHE 81 5.190 -18.341 1.339 595 HB3 PHE 81 2HB PHE 81 6.295 -18.235 2.641 596 H GLN 82 H GLN 82 4.655 -16.633 3.589 597 HA GLN 82 HA GLN 82 1.943 -15.896 2.516 598 HB2 GLN 82 1HB GLN 82 3.270 -14.135 4.517 599 HB3 GLN 82 2HB GLN 82 1.552 -14.512 4.226 600 HG2 GLN 82 1HG GLN 82 1.831 -16.658 5.315 601 HG3 GLN 82 2HG GLN 82 3.483 -16.171 5.787 602 HE21 GLN 82 1HE2 GLN 82 0.481 -16.430 6.980 603 HE22 GLN 82 2HE2 GLN 82 0.527 -15.186 8.204 604 H GLU 83 H GLU 83 1.879 -14.121 1.246 605 HA GLU 83 HA GLU 83 4.442 -12.830 0.401 606 HB2 GLU 83 1HB GLU 83 2.080 -13.885 -1.193 607 HB3 GLU 83 2HB GLU 83 2.978 -12.496 -1.786 608 HG2 GLU 83 1HG GLU 83 5.060 -13.769 -1.742 609 HG3 GLU 83 2HG GLU 83 4.168 -15.227 -1.240 610 H TYR 84 H TYR 84 4.455 -10.741 0.568 611 HA TYR 84 HA TYR 84 1.907 -9.174 0.918 612 HD1 TYR 84 HD1 TYR 84 4.503 -10.972 3.334 613 HD2 TYR 84 HD2 TYR 84 1.432 -7.962 3.618 614 HE1 TYR 84 HE1 TYR 84 3.580 -12.117 5.339 615 HE2 TYR 84 HE2 TYR 84 0.561 -9.052 5.689 616 HH TYR 84 HH TYR 84 2.060 -12.058 6.998 617 HB2 TYR 84 1HB TYR 84 4.683 -8.769 2.090 618 HB3 TYR 84 2HB TYR 84 3.378 -7.605 2.179 619 H THR 85 H THR 85 1.610 -7.625 -0.645 620 HA THR 85 HA THR 85 4.009 -6.446 -1.912 621 HB THR 85 HB THR 85 3.504 -6.840 -4.074 622 HG1 THR 85 HG1 THR 85 1.469 -7.345 -4.858 623 HG21 THR 85 3HG2 THR 85 2.129 -9.314 -2.903 624 HG22 THR 85 1HG2 THR 85 3.883 -9.122 -3.078 625 HG23 THR 85 2HG2 THR 85 2.859 -9.158 -4.514 626 H MET 86 H MET 86 3.805 -4.353 -2.401 627 HA MET 86 HA MET 86 1.181 -2.954 -2.172 628 HB2 MET 86 1HB MET 86 2.150 -2.771 -0.013 629 HB3 MET 86 2HB MET 86 3.734 -2.295 -0.663 630 HG2 MET 86 1HG MET 86 2.627 -0.228 -1.566 631 HG3 MET 86 2HG MET 86 1.123 -0.749 -0.799 632 HE1 MET 86 3HE MET 86 4.935 -0.338 -0.077 633 HE2 MET 86 1HE MET 86 4.398 1.318 -0.401 634 HE3 MET 86 2HE MET 86 4.945 0.868 1.231 635 H LEU 87 H LEU 87 0.977 -1.258 -3.400 636 HA LEU 87 HA LEU 87 3.166 -0.151 -5.090 637 HG LEU 87 HG LEU 87 1.962 0.557 -7.413 638 HB2 LEU 87 1HB LEU 87 2.161 -2.201 -6.264 639 HB3 LEU 87 2HB LEU 87 0.627 -1.360 -6.250 640 HD11 LEU 87 1HD1 LEU 87 3.571 -1.881 -8.224 641 HD12 LEU 87 2HD1 LEU 87 4.140 -0.584 -7.160 642 HD13 LEU 87 3HD1 LEU 87 3.750 -0.220 -8.857 643 HD21 LEU 87 3HD2 LEU 87 1.408 -0.361 -9.626 644 HD22 LEU 87 1HD2 LEU 87 0.097 -0.640 -8.467 645 HD23 LEU 87 2HD2 LEU 87 1.186 -1.976 -8.905 646 H CYS 88 H CYS 88 2.885 1.905 -4.420 647 HA CYS 88 HA CYS 88 0.373 3.326 -5.021 648 HB2 CYS 88 1HB CYS 88 0.282 2.863 -2.616 649 HB3 CYS 88 2HB CYS 88 1.915 3.420 -2.415 650 H LEU 89 H LEU 89 0.737 5.291 -5.903 651 HA LEU 89 HA LEU 89 3.298 6.076 -6.931 652 HG LEU 89 HG LEU 89 2.351 9.254 -6.793 653 HB2 LEU 89 1HB LEU 89 1.281 6.709 -8.079 654 HB3 LEU 89 2HB LEU 89 0.622 7.477 -6.642 655 HD11 LEU 89 1HD1 LEU 89 3.026 8.063 -9.498 656 HD12 LEU 89 2HD1 LEU 89 4.067 7.966 -8.067 657 HD13 LEU 89 3HD1 LEU 89 3.669 9.552 -8.766 658 HD21 LEU 89 3HD2 LEU 89 1.503 10.389 -8.817 659 HD22 LEU 89 1HD2 LEU 89 0.185 9.688 -7.859 660 HD23 LEU 89 2HD2 LEU 89 0.745 8.880 -9.348 661 H LEU 90 H LEU 90 1.630 6.903 -3.932 662 HA LEU 90 HA LEU 90 3.695 8.932 -3.198 663 HG LEU 90 HG LEU 90 2.413 8.660 -0.142 664 HB2 LEU 90 1HB LEU 90 1.400 9.624 -2.873 665 HB3 LEU 90 2HB LEU 90 0.980 8.115 -2.091 666 HD11 LEU 90 1HD1 LEU 90 3.457 10.757 0.118 667 HD12 LEU 90 2HD1 LEU 90 2.853 11.365 -1.434 668 HD13 LEU 90 3HD1 LEU 90 4.080 10.075 -1.370 669 HD21 LEU 90 3HD2 LEU 90 0.468 10.875 -0.873 670 HD22 LEU 90 1HD2 LEU 90 1.077 10.486 0.760 671 HD23 LEU 90 2HD2 LEU 90 0.072 9.315 -0.113 672 H CYS 91 H CYS 91 1.941 6.225 -1.579 673 HA CYS 91 HA CYS 91 3.782 6.110 0.496 674 HB2 CYS 91 1HB CYS 91 1.747 4.083 -0.453 675 HB3 CYS 91 2HB CYS 91 2.533 4.011 1.116 676 H GLY 92 H GLY 92 3.697 4.191 -2.487 677 HA2 GLY 92 1HA GLY 92 6.073 3.817 -3.260 678 HA3 GLY 92 2HA GLY 92 6.367 3.058 -1.722 679 H LYS 93 H LYS 93 7.187 1.753 -3.737 680 HA LYS 93 HA LYS 93 5.273 -0.494 -4.167 681 HB2 LYS 93 1HB LYS 93 5.839 0.427 -6.273 682 HB3 LYS 93 2HB LYS 93 7.513 0.585 -5.856 683 HG2 LYS 93 1HG LYS 93 7.618 -2.009 -5.728 684 HG3 LYS 93 2HG LYS 93 6.019 -1.999 -6.468 685 HD2 LYS 93 1HD LYS 93 8.572 -0.785 -7.631 686 HD3 LYS 93 2HD LYS 93 7.869 -2.339 -8.091 687 HE2 LYS 93 1HE LYS 93 5.845 -1.202 -8.931 688 HE3 LYS 93 2HE LYS 93 6.510 0.369 -8.459 689 HZ1 LYS 93 3HZ LYS 93 8.334 -0.012 -10.038 690 HZ2 LYS 93 1HZ LYS 93 6.901 -0.090 -10.813 691 HZ3 LYS 93 2HZ LYS 93 7.714 -1.460 -10.470 692 H ALA 94 H ALA 94 5.625 -2.179 -2.970 693 HA ALA 94 HA ALA 94 8.371 -3.031 -2.333 694 HB1 ALA 94 3HB ALA 94 7.705 -1.512 -0.483 695 HB2 ALA 94 1HB ALA 94 6.208 -2.443 -0.257 696 HB3 ALA 94 2HB ALA 94 7.771 -3.184 0.101 697 H GLU 95 H GLU 95 8.565 -5.213 -1.493 698 HA GLU 95 HA GLU 95 6.210 -6.929 -1.446 699 HB2 GLU 95 1HB GLU 95 6.740 -6.937 -3.836 700 HB3 GLU 95 2HB GLU 95 8.432 -7.302 -3.487 701 HG2 GLU 95 1HG GLU 95 7.821 -9.517 -2.622 702 HG3 GLU 95 2HG GLU 95 6.112 -9.161 -2.859 703 H ASP 96 H ASP 96 6.454 -8.644 -0.093 704 HA ASP 96 HA ASP 96 9.113 -9.482 0.848 705 HB2 ASP 96 1HB ASP 96 7.903 -7.658 2.403 706 HB3 ASP 96 2HB ASP 96 6.897 -9.001 2.867 707 H THR 97 H THR 97 9.124 -11.619 1.805 708 HA THR 97 HA THR 97 6.557 -13.075 1.733 709 HB THR 97 HB THR 97 8.977 -14.531 0.734 710 HG1 THR 97 HG1 THR 97 8.757 -12.773 -0.671 711 HG21 THR 97 3HG2 THR 97 6.903 -15.784 1.317 712 HG22 THR 97 1HG2 THR 97 7.271 -15.888 -0.419 713 HG23 THR 97 2HG2 THR 97 6.007 -14.779 0.164 714 H ILE 98 H ILE 98 6.231 -14.428 3.420 715 HA ILE 98 HA ILE 98 8.470 -14.846 5.380 716 HB ILE 98 HB ILE 98 5.543 -14.604 6.134 717 HG12 ILE 98 1HG1 ILE 98 7.581 -12.354 5.991 718 HG13 ILE 98 2HG1 ILE 98 6.051 -12.482 5.095 719 HG21 ILE 98 1HG2 ILE 98 6.432 -14.224 8.364 720 HG22 ILE 98 2HG2 ILE 98 7.126 -15.696 7.714 721 HG23 ILE 98 3HG2 ILE 98 8.098 -14.205 7.734 722 HD11 ILE 98 3HD1 ILE 98 4.842 -12.367 7.328 723 HD12 ILE 98 1HD1 ILE 98 6.406 -11.940 8.062 724 HD13 ILE 98 2HD1 ILE 98 5.697 -10.891 6.830 725 H SER 99 H SER 99 8.816 -16.957 5.990 726 HA SER 99 HA SER 99 6.920 -19.045 5.067 727 HG SER 99 HG SER 99 10.713 -19.731 6.327 728 HB2 SER 99 1HB SER 99 8.610 -20.634 5.942 729 HB3 SER 99 2HB SER 99 9.151 -19.579 4.629 730 H ILE 100 H ILE 100 5.506 -20.101 6.354 731 HA ILE 100 HA ILE 100 5.506 -19.568 9.281 732 HB ILE 100 HB ILE 100 3.081 -19.031 9.175 733 HG12 ILE 100 1HG1 ILE 100 2.145 -18.102 7.105 734 HG13 ILE 100 2HG1 ILE 100 3.475 -18.771 6.170 735 HG21 ILE 100 1HG2 ILE 100 3.378 -16.734 8.646 736 HG22 ILE 100 2HG2 ILE 100 4.864 -17.329 9.391 737 HG23 ILE 100 3HG2 ILE 100 4.795 -17.075 7.634 738 HD11 ILE 100 3HD1 ILE 100 1.423 -20.099 5.969 739 HD12 ILE 100 1HD1 ILE 100 2.653 -21.071 6.782 740 HD13 ILE 100 2HD1 ILE 100 1.350 -20.313 7.725 741 H LEU 101 H LEU 101 3.308 -20.625 10.097 742 HA LEU 101 HA LEU 101 3.201 -23.515 9.394 743 HG LEU 101 HG LEU 101 5.639 -22.684 11.045 744 HB2 LEU 101 1HB LEU 101 3.440 -22.063 12.072 745 HB3 LEU 101 2HB LEU 101 2.932 -23.742 11.981 746 HD11 LEU 101 1HD1 LEU 101 4.865 -24.320 13.497 747 HD12 LEU 101 2HD1 LEU 101 5.346 -22.607 13.494 748 HD13 LEU 101 3HD1 LEU 101 6.513 -23.850 13.021 749 HD21 LEU 101 3HD2 LEU 101 6.267 -25.093 10.962 750 HD22 LEU 101 1HD2 LEU 101 5.023 -24.697 9.776 751 HD23 LEU 101 2HD2 LEU 101 4.576 -25.538 11.280 752 HA PRO 102 HA PRO 102 -1.153 -22.946 9.234 753 HB2 PRO 102 1HB PRO 102 -2.266 -25.043 10.681 754 HB3 PRO 102 2HB PRO 102 -1.560 -25.160 9.041 755 HG2 PRO 102 1HG PRO 102 -0.220 -25.754 11.692 756 HG3 PRO 102 2HG PRO 102 -0.226 -26.755 10.202 757 HD2 PRO 102 1HD PRO 102 1.867 -25.174 10.771 758 HD3 PRO 102 2HD PRO 102 1.261 -25.262 9.096 759 H ASP 103 H ASP 103 0.298 -22.746 12.345 760 HA ASP 103 HA ASP 103 -2.033 -21.829 13.837 761 HB2 ASP 103 1HB ASP 103 0.018 -22.960 14.784 762 HB3 ASP 103 2HB ASP 103 0.941 -21.505 14.408 763 H ASP 104 H ASP 104 -0.221 -20.375 11.390 764 HA ASP 104 HA ASP 104 0.253 -18.321 10.652 765 HB2 ASP 104 1HB ASP 104 -2.159 -18.496 10.265 766 HB3 ASP 104 2HB ASP 104 -2.470 -17.624 11.771 767 HA PRO 105 HA PRO 105 1.703 -16.584 14.727 768 HB2 PRO 105 1HB PRO 105 4.389 -16.996 14.485 769 HB3 PRO 105 2HB PRO 105 3.254 -18.286 14.984 770 HG2 PRO 105 1HG PRO 105 4.345 -17.750 12.196 771 HG3 PRO 105 2HG PRO 105 4.331 -19.302 13.098 772 HD2 PRO 105 1HD PRO 105 2.392 -18.678 11.288 773 HD3 PRO 105 2HD PRO 105 2.016 -19.572 12.790 774 H ARG 106 H ARG 106 2.329 -15.765 11.425 775 HA ARG 106 HA ARG 106 3.142 -13.930 10.305 776 HE ARG 106 HE ARG 106 -0.921 -14.231 9.631 777 HB2 ARG 106 1HB ARG 106 2.069 -12.495 12.770 778 HB3 ARG 106 2HB ARG 106 2.451 -11.706 11.248 779 HG2 ARG 106 1HG ARG 106 0.386 -13.923 11.448 780 HG3 ARG 106 2HG ARG 106 -0.000 -12.224 11.692 781 HD2 ARG 106 1HD ARG 106 0.515 -11.624 9.466 782 HD3 ARG 106 2HD ARG 106 1.402 -13.127 9.173 783 HH11 ARG 106 1HH1 ARG 106 -0.290 -11.591 7.409 784 HH12 ARG 106 2HH1 ARG 106 -1.773 -11.883 6.546 785 HH21 ARG 106 1HH2 ARG 106 -2.714 -14.506 8.601 786 HH22 ARG 106 2HH2 ARG 106 -3.162 -13.510 7.216 787 H GLN 107 H GLN 107 5.054 -15.213 12.236 788 HA GLN 107 HA GLN 107 7.067 -14.899 13.293 789 HB2 GLN 107 1HB GLN 107 7.561 -13.438 10.673 790 HB3 GLN 107 2HB GLN 107 8.819 -14.033 11.748 791 HG2 GLN 107 1HG GLN 107 6.786 -15.772 10.282 792 HG3 GLN 107 2HG GLN 107 8.450 -15.487 9.797 793 HE21 GLN 107 1HE2 GLN 107 7.879 -18.063 9.957 794 HE22 GLN 107 2HE2 GLN 107 8.525 -18.763 11.444 Start of MODEL 7 1 HA CYS 2 HA CYS 2 -1.298 14.956 -10.665 2 H1 CYS 2 1H CYS 2 -1.142 15.673 -7.909 3 HB2 CYS 2 1HB CYS 2 -0.133 17.364 -10.722 4 HB3 CYS 2 2HB CYS 2 -1.833 17.119 -10.438 5 H GLY 3 H GLY 3 0.710 13.684 -8.694 6 HA2 GLY 3 1HA GLY 3 2.666 12.480 -8.936 7 HA3 GLY 3 2HA GLY 3 2.854 13.051 -10.586 8 H ASP 4 H ASP 4 2.713 15.922 -9.816 9 HA ASP 4 HA ASP 4 5.447 16.427 -8.922 10 HB2 ASP 4 1HB ASP 4 3.004 18.164 -9.399 11 HB3 ASP 4 2HB ASP 4 4.482 18.816 -8.688 12 H CYS 5 H CYS 5 2.431 15.753 -7.325 13 HA CYS 5 HA CYS 5 2.788 16.923 -4.807 14 HB2 CYS 5 1HB CYS 5 1.435 14.277 -5.539 15 HB3 CYS 5 2HB CYS 5 1.280 15.097 -4.026 16 H VAL 6 H VAL 6 4.364 14.092 -6.224 17 HA VAL 6 HA VAL 6 5.365 13.176 -3.546 18 HB VAL 6 HB VAL 6 5.641 11.022 -4.403 19 HG11 VAL 6 1HG1 VAL 6 2.875 12.035 -5.175 20 HG12 VAL 6 2HG1 VAL 6 3.312 10.375 -4.777 21 HG13 VAL 6 3HG1 VAL 6 3.421 11.631 -3.538 22 HG21 VAL 6 3HG2 VAL 6 4.936 10.214 -6.557 23 HG22 VAL 6 1HG2 VAL 6 4.436 11.828 -7.071 24 HG23 VAL 6 2HG2 VAL 6 6.159 11.455 -6.824 25 H GLU 7 H GLU 7 7.576 13.033 -3.157 26 HA GLU 7 HA GLU 7 9.470 14.420 -4.842 27 HB2 GLU 7 1HB GLU 7 9.749 14.280 -2.415 28 HB3 GLU 7 2HB GLU 7 9.940 12.549 -2.522 29 HG2 GLU 7 1HG GLU 7 12.110 13.543 -2.329 30 HG3 GLU 7 2HG GLU 7 11.924 12.855 -3.940 31 H LYS 8 H LYS 8 8.673 10.979 -4.443 32 HA LYS 8 HA LYS 8 9.993 10.387 -7.047 33 HB2 LYS 8 1HB LYS 8 10.292 8.809 -4.448 34 HB3 LYS 8 2HB LYS 8 10.779 8.182 -6.018 35 HG2 LYS 8 1HG LYS 8 11.923 10.695 -4.719 36 HG3 LYS 8 2HG LYS 8 12.652 9.107 -4.616 37 HD2 LYS 8 1HD LYS 8 13.280 9.047 -6.859 38 HD3 LYS 8 2HD LYS 8 12.141 10.291 -7.370 39 HE2 LYS 8 1HE LYS 8 14.299 10.981 -5.368 40 HE3 LYS 8 2HE LYS 8 14.724 10.842 -7.077 41 HZ1 LYS 8 3HZ LYS 8 14.014 13.140 -6.305 42 HZ2 LYS 8 1HZ LYS 8 12.481 12.580 -6.200 43 HZ3 LYS 8 2HZ LYS 8 13.243 12.582 -7.631 44 H GLU 9 H GLU 9 8.944 8.902 -8.274 45 HA GLU 9 HA GLU 9 6.143 8.280 -7.604 46 HB2 GLU 9 1HB GLU 9 7.955 7.855 -10.014 47 HB3 GLU 9 2HB GLU 9 6.368 7.095 -9.929 48 HG2 GLU 9 1HG GLU 9 5.211 8.978 -10.256 49 HG3 GLU 9 2HG GLU 9 6.334 10.015 -9.380 50 H TYR 10 H TYR 10 5.535 6.449 -6.588 51 HA TYR 10 HA TYR 10 5.678 4.450 -5.501 52 HD1 TYR 10 HD1 TYR 10 5.243 5.394 -9.235 53 HD2 TYR 10 HD2 TYR 10 3.670 2.057 -6.971 54 HE1 TYR 10 HE1 TYR 10 3.024 5.790 -10.211 55 HE2 TYR 10 HE2 TYR 10 1.414 2.500 -7.930 56 HH TYR 10 HH TYR 10 0.170 3.765 -9.380 57 HB2 TYR 10 1HB TYR 10 6.740 3.453 -8.149 58 HB3 TYR 10 2HB TYR 10 5.975 2.513 -6.901 59 HA PRO 11 HA PRO 11 10.266 4.837 -4.580 60 HB2 PRO 11 1HB PRO 11 9.989 5.509 -1.929 61 HB3 PRO 11 2HB PRO 11 9.933 6.720 -3.263 62 HG2 PRO 11 1HG PRO 11 7.584 5.358 -1.905 63 HG3 PRO 11 2HG PRO 11 7.876 7.109 -2.122 64 HD2 PRO 11 1HD PRO 11 6.341 5.798 -3.886 65 HD3 PRO 11 2HD PRO 11 7.563 6.924 -4.506 66 H ASN 12 H ASN 12 11.491 3.121 -3.521 67 HA ASN 12 HA ASN 12 9.851 0.840 -2.630 68 HB2 ASN 12 1HB ASN 12 12.887 1.236 -2.727 69 HB3 ASN 12 2HB ASN 12 12.065 -0.271 -2.331 70 HD21 ASN 12 1HD2 ASN 12 10.136 -0.660 -4.218 71 HD22 ASN 12 2HD2 ASN 12 10.895 -0.653 -5.808 72 H ARG 13 H ARG 13 9.748 0.006 -0.576 73 HA ARG 13 HA ARG 13 10.520 1.866 1.661 74 HE ARG 13 HE ARG 13 9.092 3.871 3.274 75 HB2 ARG 13 1HB ARG 13 8.036 0.120 1.410 76 HB3 ARG 13 2HB ARG 13 8.415 1.219 2.737 77 HG2 ARG 13 1HG ARG 13 7.859 2.053 -0.127 78 HG3 ARG 13 2HG ARG 13 6.752 2.145 1.234 79 HD2 ARG 13 1HD ARG 13 9.388 3.654 0.989 80 HD3 ARG 13 2HD ARG 13 7.807 4.348 0.723 81 HH11 ARG 13 1HH1 ARG 13 5.909 4.223 1.850 82 HH12 ARG 13 2HH1 ARG 13 5.148 4.453 3.406 83 HH21 ARG 13 1HH2 ARG 13 8.062 4.201 5.206 84 HH22 ARG 13 2HH2 ARG 13 6.347 4.469 5.245 85 H GLY 14 H GLY 14 12.112 -0.400 0.750 86 HA2 GLY 14 1HA GLY 14 13.344 -2.142 1.676 87 HA3 GLY 14 2HA GLY 14 12.986 -1.412 3.249 88 H ASN 15 H ASN 15 10.707 -2.744 0.948 89 HA ASN 15 HA ASN 15 9.384 -4.520 0.790 90 HB2 ASN 15 1HB ASN 15 10.614 -5.750 3.287 91 HB3 ASN 15 2HB ASN 15 9.591 -6.511 2.102 92 HD21 ASN 15 1HD2 ASN 15 11.345 -8.083 2.259 93 HD22 ASN 15 2HD2 ASN 15 12.685 -7.878 1.115 94 H THR 16 H THR 16 8.943 -2.131 2.952 95 HA THR 16 HA THR 16 6.917 -3.202 4.730 96 HB THR 16 HB THR 16 7.492 -0.353 3.842 97 HG1 THR 16 HG1 THR 16 9.224 -1.002 4.892 98 HG21 THR 16 3HG2 THR 16 5.819 -1.395 6.143 99 HG22 THR 16 1HG2 THR 16 5.324 -0.311 4.809 100 HG23 THR 16 2HG2 THR 16 6.448 0.267 6.039 101 H CYS 17 H CYS 17 4.864 -3.875 4.131 102 HA CYS 17 HA CYS 17 3.513 -2.511 1.844 103 HG CYS 17 HG CYS 17 5.754 -4.984 1.789 104 HB2 CYS 17 1HB CYS 17 3.352 -5.419 2.722 105 HB3 CYS 17 2HB CYS 17 2.470 -4.695 1.372 106 H LEU 18 H LEU 18 1.984 -1.222 2.681 107 HA LEU 18 HA LEU 18 0.342 -2.070 5.046 108 HG LEU 18 HG LEU 18 0.991 -0.439 7.065 109 HB2 LEU 18 1HB LEU 18 1.707 0.494 4.269 110 HB3 LEU 18 2HB LEU 18 0.187 0.601 5.117 111 HD11 LEU 18 1HD1 LEU 18 3.445 -1.193 5.480 112 HD12 LEU 18 2HD1 LEU 18 2.361 -2.243 6.416 113 HD13 LEU 18 3HD1 LEU 18 3.444 -1.139 7.262 114 HD21 LEU 18 3HD2 LEU 18 2.785 1.090 7.715 115 HD22 LEU 18 1HD2 LEU 18 1.617 1.934 6.685 116 HD23 LEU 18 2HD2 LEU 18 3.176 1.404 6.009 117 H GLU 19 H GLU 19 -1.710 -1.602 5.189 118 HA GLU 19 HA GLU 19 -3.270 -0.990 2.730 119 HB2 GLU 19 1HB GLU 19 -5.064 -2.126 3.779 120 HB3 GLU 19 2HB GLU 19 -3.667 -3.149 3.958 121 HG2 GLU 19 1HG GLU 19 -4.807 -1.389 6.159 122 HG3 GLU 19 2HG GLU 19 -5.204 -3.072 5.914 123 H ASN 20 H ASN 20 -2.050 0.732 5.278 124 HA ASN 20 HA ASN 20 -4.280 2.721 5.278 125 HB2 ASN 20 1HB ASN 20 -2.925 1.446 7.702 126 HB3 ASN 20 2HB ASN 20 -3.815 2.954 7.810 127 HD21 ASN 20 1HD2 ASN 20 -4.222 -0.027 8.763 128 HD22 ASN 20 2HD2 ASN 20 -5.942 -0.213 8.452 129 H GLY 21 H GLY 21 -3.713 4.816 6.026 130 HA2 GLY 21 1HA GLY 21 -2.301 6.545 6.706 131 HA3 GLY 21 2HA GLY 21 -0.885 5.545 6.428 132 H SER 22 H SER 22 -0.313 7.768 5.705 133 HA SER 22 HA SER 22 -0.286 7.977 2.753 134 HG SER 22 HG SER 22 -2.838 8.991 3.811 135 HB2 SER 22 1HB SER 22 -1.116 10.232 4.634 136 HB3 SER 22 2HB SER 22 -0.555 10.480 2.979 137 H PHE 23 H PHE 23 1.840 8.112 2.227 138 HA PHE 23 HA PHE 23 3.812 8.446 4.275 139 HD1 PHE 23 HD1 PHE 23 5.835 8.015 4.663 140 HD2 PHE 23 HD2 PHE 23 6.197 7.158 0.451 141 HE1 PHE 23 HE1 PHE 23 8.252 7.614 4.942 142 HE2 PHE 23 HE2 PHE 23 8.632 6.802 0.733 143 HZ PHE 23 HZ PHE 23 9.680 7.117 2.981 144 HB2 PHE 23 1HB PHE 23 3.878 6.850 2.402 145 HB3 PHE 23 2HB PHE 23 4.166 8.156 1.281 146 H LEU 24 H LEU 24 3.347 10.562 5.020 147 HA LEU 24 HA LEU 24 3.591 12.926 3.646 148 HG LEU 24 HG LEU 24 2.245 11.620 6.428 149 HB2 LEU 24 1HB LEU 24 4.511 12.455 6.506 150 HB3 LEU 24 2HB LEU 24 4.039 13.993 5.796 151 HD11 LEU 24 1HD1 LEU 24 1.142 13.210 7.924 152 HD12 LEU 24 2HD1 LEU 24 2.252 14.501 7.411 153 HD13 LEU 24 3HD1 LEU 24 2.866 13.095 8.308 154 HD21 LEU 24 3HD2 LEU 24 1.393 12.535 4.332 155 HD22 LEU 24 1HD2 LEU 24 1.514 14.195 4.969 156 HD23 LEU 24 2HD2 LEU 24 0.346 13.040 5.654 157 H LEU 25 H LEU 25 6.299 10.949 4.651 158 HA LEU 25 HA LEU 25 8.356 12.964 4.266 159 HG LEU 25 HG LEU 25 8.075 11.304 6.624 160 HB2 LEU 25 1HB LEU 25 8.332 9.956 4.514 161 HB3 LEU 25 2HB LEU 25 9.826 10.792 4.170 162 HD11 LEU 25 1HD1 LEU 25 10.677 9.743 6.339 163 HD12 LEU 25 2HD1 LEU 25 9.069 9.056 6.667 164 HD13 LEU 25 3HD1 LEU 25 9.837 10.104 7.866 165 HD21 LEU 25 3HD2 LEU 25 10.892 12.256 5.928 166 HD22 LEU 25 1HD2 LEU 25 10.106 12.451 7.510 167 HD23 LEU 25 2HD2 LEU 25 9.446 13.278 6.101 168 H ASN 26 H ASN 26 6.525 11.084 1.986 169 HA ASN 26 HA ASN 26 8.480 11.748 -0.190 170 HB2 ASN 26 1HB ASN 26 7.732 9.382 0.009 171 HB3 ASN 26 2HB ASN 26 6.075 9.883 -0.263 172 HD21 ASN 26 1HD2 ASN 26 5.904 8.687 -2.289 173 HD22 ASN 26 2HD2 ASN 26 6.804 9.223 -3.714 174 H PHE 27 H PHE 27 5.182 12.264 1.009 175 HA PHE 27 HA PHE 27 4.275 13.807 -1.252 176 HD1 PHE 27 HD1 PHE 27 2.105 14.393 -1.899 177 HD2 PHE 27 HD2 PHE 27 1.959 15.688 2.201 178 HE1 PHE 27 HE1 PHE 27 0.287 16.032 -2.490 179 HE2 PHE 27 HE2 PHE 27 0.184 17.333 1.601 180 HZ PHE 27 HZ PHE 27 -0.673 17.460 -0.716 181 HB2 PHE 27 1HB PHE 27 2.733 12.868 0.395 182 HB3 PHE 27 2HB PHE 27 3.378 13.917 1.642 183 H THR 28 H THR 28 5.282 15.581 -1.952 184 HA THR 28 HA THR 28 6.760 17.386 -0.091 185 HB THR 28 HB THR 28 7.498 18.522 -2.183 186 HG1 THR 28 HG1 THR 28 7.017 17.547 -4.138 187 HG21 THR 28 3HG2 THR 28 8.959 16.729 -2.977 188 HG22 THR 28 1HG2 THR 28 7.928 15.511 -2.203 189 HG23 THR 28 2HG2 THR 28 8.834 16.671 -1.210 190 H GLY 29 H GLY 29 3.640 17.096 -0.958 191 HA2 GLY 29 1HA GLY 29 1.925 18.612 -0.354 192 HA3 GLY 29 2HA GLY 29 2.964 19.990 -0.652 193 H CYS 30 H CYS 30 0.339 19.447 -1.757 194 HA CYS 30 HA CYS 30 0.213 18.355 -4.284 195 HB2 CYS 30 1HB CYS 30 -1.620 19.256 -2.666 196 HB3 CYS 30 2HB CYS 30 -1.348 20.808 -3.413 197 H ALA 31 H ALA 31 -0.395 19.457 -6.233 198 HA ALA 31 HA ALA 31 1.147 21.941 -6.786 199 HB1 ALA 31 3HB ALA 31 1.049 19.906 -8.963 200 HB2 ALA 31 1HB ALA 31 2.163 21.242 -8.715 201 HB3 ALA 31 2HB ALA 31 2.300 19.788 -7.684 202 H VAL 32 H VAL 32 -1.890 20.354 -6.938 203 HA VAL 32 HA VAL 32 -2.934 22.058 -9.067 204 HB VAL 32 HB VAL 32 -4.269 20.245 -7.021 205 HG11 VAL 32 1HG1 VAL 32 -5.842 22.113 -7.286 206 HG12 VAL 32 2HG1 VAL 32 -5.738 21.972 -9.058 207 HG13 VAL 32 3HG1 VAL 32 -6.448 20.659 -8.075 208 HG21 VAL 32 3HG2 VAL 32 -5.053 19.029 -9.003 209 HG22 VAL 32 1HG2 VAL 32 -4.273 20.222 -10.074 210 HG23 VAL 32 2HG2 VAL 32 -3.295 19.174 -9.028 211 H CYS 33 H CYS 33 -2.667 22.143 -5.539 212 HA CYS 33 HA CYS 33 -3.511 25.006 -5.521 213 HB2 CYS 33 1HB CYS 33 -4.582 24.598 -3.432 214 HB3 CYS 33 2HB CYS 33 -5.226 23.459 -4.626 215 H SER 34 H SER 34 -1.054 22.785 -4.527 216 HA SER 34 HA SER 34 1.026 23.153 -3.683 217 HG SER 34 HG SER 34 2.529 25.048 -2.452 218 HB2 SER 34 1HB SER 34 0.731 25.518 -4.608 219 HB3 SER 34 2HB SER 34 0.491 26.000 -2.918 220 H LYS 35 H LYS 35 -1.472 22.510 -1.850 221 HA LYS 35 HA LYS 35 -0.467 23.344 0.821 222 HB2 LYS 35 1HB LYS 35 -2.804 21.686 -0.170 223 HB3 LYS 35 2HB LYS 35 -2.375 21.754 1.529 224 HG2 LYS 35 1HG LYS 35 -2.436 24.473 0.457 225 HG3 LYS 35 2HG LYS 35 -3.936 23.633 0.068 226 HD2 LYS 35 1HD LYS 35 -4.335 23.079 2.376 227 HD3 LYS 35 2HD LYS 35 -2.733 23.710 2.849 228 HE2 LYS 35 1HE LYS 35 -3.436 25.975 2.008 229 HE3 LYS 35 2HE LYS 35 -5.043 25.326 1.659 230 HZ1 LYS 35 3HZ LYS 35 -5.288 24.848 4.040 231 HZ2 LYS 35 1HZ LYS 35 -4.972 26.435 3.822 232 HZ3 LYS 35 2HZ LYS 35 -3.796 25.440 4.358 233 H ARG 36 H ARG 36 0.397 22.059 2.402 234 HA ARG 36 HA ARG 36 1.216 19.260 1.723 235 HE ARG 36 HE ARG 36 5.328 17.231 2.246 236 HB2 ARG 36 1HB ARG 36 3.103 20.880 1.683 237 HB3 ARG 36 2HB ARG 36 2.871 21.112 3.426 238 HG2 ARG 36 1HG ARG 36 3.411 18.813 3.896 239 HG3 ARG 36 2HG ARG 36 3.187 18.337 2.198 240 HD2 ARG 36 1HD ARG 36 5.130 19.698 1.582 241 HD3 ARG 36 2HD ARG 36 5.411 20.062 3.297 242 HH11 ARG 36 1HH1 ARG 36 7.264 19.623 3.930 243 HH12 ARG 36 2HH1 ARG 36 8.399 18.417 4.471 244 HH21 ARG 36 1HH2 ARG 36 6.686 15.775 3.046 245 HH22 ARG 36 2HH2 ARG 36 8.095 16.284 3.944 246 H ASP 37 H ASP 37 1.456 17.857 3.664 247 HA ASP 37 HA ASP 37 0.410 16.719 5.277 248 HB2 ASP 37 1HB ASP 37 0.413 17.595 7.461 249 HB3 ASP 37 2HB ASP 37 1.884 18.008 6.605 250 H PHE 38 H PHE 38 -1.278 17.844 3.399 251 HA PHE 38 HA PHE 38 -3.951 17.887 4.713 252 HD1 PHE 38 HD1 PHE 38 -2.388 20.229 5.437 253 HD2 PHE 38 HD2 PHE 38 -5.899 20.780 3.001 254 HE1 PHE 38 HE1 PHE 38 -3.116 22.086 6.897 255 HE2 PHE 38 HE2 PHE 38 -6.617 22.655 4.443 256 HZ PHE 38 HZ PHE 38 -5.235 23.302 6.425 257 HB2 PHE 38 1HB PHE 38 -2.782 19.608 2.577 258 HB3 PHE 38 2HB PHE 38 -4.446 19.124 2.404 259 H MET 39 H MET 39 -4.511 15.797 4.510 260 HA MET 39 HA MET 39 -5.380 14.967 1.905 261 HB2 MET 39 1HB MET 39 -4.213 12.683 1.974 262 HB3 MET 39 2HB MET 39 -3.338 14.056 1.377 263 HG2 MET 39 1HG MET 39 -2.957 13.723 4.285 264 HG3 MET 39 2HG MET 39 -2.579 12.252 3.409 265 HE1 MET 39 3HE MET 39 -1.220 13.508 0.546 266 HE2 MET 39 1HE MET 39 0.388 13.099 1.175 267 HE3 MET 39 2HE MET 39 -0.985 12.027 1.498 268 H LEU 40 H LEU 40 -6.675 13.318 1.741 269 HA LEU 40 HA LEU 40 -7.975 11.984 4.076 270 HG LEU 40 HG LEU 40 -10.477 14.663 3.161 271 HB2 LEU 40 1HB LEU 40 -9.059 13.605 1.749 272 HB3 LEU 40 2HB LEU 40 -9.981 12.259 2.293 273 HD11 LEU 40 1HD1 LEU 40 -11.499 13.653 5.195 274 HD12 LEU 40 2HD1 LEU 40 -10.478 12.212 4.996 275 HD13 LEU 40 3HD1 LEU 40 -11.723 12.606 3.789 276 HD21 LEU 40 3HD2 LEU 40 -8.551 13.748 5.303 277 HD22 LEU 40 1HD2 LEU 40 -9.645 15.136 5.372 278 HD23 LEU 40 2HD2 LEU 40 -8.325 15.113 4.183 279 H ILE 41 H ILE 41 -9.184 10.040 3.340 280 HA ILE 41 HA ILE 41 -8.148 8.698 0.888 281 HB ILE 41 HB ILE 41 -8.421 7.598 3.702 282 HG12 ILE 41 1HG1 ILE 41 -6.060 7.512 1.762 283 HG13 ILE 41 2HG1 ILE 41 -6.258 8.725 3.022 284 HG21 ILE 41 1HG2 ILE 41 -9.455 5.918 2.242 285 HG22 ILE 41 2HG2 ILE 41 -8.115 6.039 1.087 286 HG23 ILE 41 3HG2 ILE 41 -7.872 5.325 2.688 287 HD11 ILE 41 3HD1 ILE 41 -5.829 5.754 3.475 288 HD12 ILE 41 1HD1 ILE 41 -4.741 7.095 3.856 289 HD13 ILE 41 2HD1 ILE 41 -6.256 6.916 4.755 290 H THR 42 H THR 42 -9.744 7.830 -0.314 291 HA THR 42 HA THR 42 -12.394 7.292 0.844 292 HB THR 42 HB THR 42 -12.214 9.777 0.020 293 HG1 THR 42 HG1 THR 42 -14.410 9.615 -0.410 294 HG21 THR 42 3HG2 THR 42 -11.517 8.856 -2.391 295 HG22 THR 42 1HG2 THR 42 -12.613 10.246 -2.215 296 HG23 THR 42 2HG2 THR 42 -13.262 8.639 -2.575 297 H ASN 43 H ASN 43 -13.900 6.470 -0.920 298 HA ASN 43 HA ASN 43 -14.485 4.769 -2.231 299 HB2 ASN 43 1HB ASN 43 -14.219 5.323 -4.347 300 HB3 ASN 43 2HB ASN 43 -13.202 6.636 -3.766 301 HD21 ASN 43 1HD2 ASN 43 -10.777 5.698 -3.325 302 HD22 ASN 43 2HD2 ASN 43 -10.131 4.989 -4.812 303 H LYS 44 H LYS 44 -12.337 4.219 -0.223 304 HA LYS 44 HA LYS 44 -10.598 2.178 -0.936 305 HB2 LYS 44 1HB LYS 44 -10.764 3.521 1.210 306 HB3 LYS 44 2HB LYS 44 -12.056 2.407 1.712 307 HG2 LYS 44 1HG LYS 44 -10.579 0.513 1.738 308 HG3 LYS 44 2HG LYS 44 -9.317 1.397 0.890 309 HD2 LYS 44 1HD LYS 44 -9.170 2.969 2.863 310 HD3 LYS 44 2HD LYS 44 -10.228 1.838 3.746 311 HE2 LYS 44 1HE LYS 44 -8.582 0.029 3.411 312 HE3 LYS 44 2HE LYS 44 -7.591 1.094 2.402 313 HZ1 LYS 44 3HZ LYS 44 -8.082 1.428 5.309 314 HZ2 LYS 44 1HZ LYS 44 -7.338 2.550 4.379 315 HZ3 LYS 44 2HZ LYS 44 -6.661 1.089 4.571 316 H SER 45 H SER 45 -10.915 0.372 -1.863 317 HA SER 45 HA SER 45 -13.279 -1.324 -1.206 318 HG SER 45 HG SER 45 -13.588 -0.768 -4.651 319 HB2 SER 45 1HB SER 45 -11.528 -1.121 -3.695 320 HB3 SER 45 2HB SER 45 -12.631 -2.476 -3.408 321 H LEU 46 H LEU 46 -13.030 -3.555 -1.085 322 HA LEU 46 HA LEU 46 -10.348 -4.637 -0.553 323 HG LEU 46 HG LEU 46 -10.416 -6.634 1.135 324 HB2 LEU 46 1HB LEU 46 -11.009 -4.012 1.618 325 HB3 LEU 46 2HB LEU 46 -12.647 -4.610 1.421 326 HD11 LEU 46 1HD1 LEU 46 -10.226 -6.925 3.568 327 HD12 LEU 46 2HD1 LEU 46 -11.292 -5.523 3.837 328 HD13 LEU 46 3HD1 LEU 46 -9.690 -5.308 3.096 329 HD21 LEU 46 3HD2 LEU 46 -11.958 -8.083 2.384 330 HD22 LEU 46 1HD2 LEU 46 -12.759 -7.405 0.972 331 HD23 LEU 46 2HD2 LEU 46 -13.096 -6.734 2.580 332 H LYS 47 H LYS 47 -10.096 -6.681 -1.190 333 HA LYS 47 HA LYS 47 -12.401 -8.249 -2.214 334 HB2 LYS 47 1HB LYS 47 -10.610 -6.899 -3.859 335 HB3 LYS 47 2HB LYS 47 -9.853 -8.471 -3.710 336 HG2 LYS 47 1HG LYS 47 -11.875 -9.609 -4.424 337 HG3 LYS 47 2HG LYS 47 -12.712 -8.056 -4.610 338 HD2 LYS 47 1HD LYS 47 -10.237 -8.935 -6.169 339 HD3 LYS 47 2HD LYS 47 -11.903 -9.028 -6.758 340 HE2 LYS 47 1HE LYS 47 -12.119 -6.548 -6.493 341 HE3 LYS 47 2HE LYS 47 -10.422 -6.467 -5.998 342 HZ1 LYS 47 3HZ LYS 47 -11.387 -7.441 -8.637 343 HZ2 LYS 47 1HZ LYS 47 -9.817 -7.379 -8.184 344 HZ3 LYS 47 2HZ LYS 47 -10.672 -6.000 -8.366 345 H GLU 48 H GLU 48 -12.157 -10.490 -2.155 346 HA GLU 48 HA GLU 48 -9.652 -11.550 -0.926 347 HB2 GLU 48 1HB GLU 48 -12.421 -12.128 0.176 348 HB3 GLU 48 2HB GLU 48 -10.924 -12.913 0.683 349 HG2 GLU 48 1HG GLU 48 -10.065 -10.724 1.495 350 HG3 GLU 48 2HG GLU 48 -11.595 -9.972 1.045 351 H GLU 49 H GLU 49 -8.945 -13.079 -2.250 352 HA GLU 49 HA GLU 49 -10.858 -15.013 -3.492 353 HB2 GLU 49 1HB GLU 49 -8.297 -13.948 -4.712 354 HB3 GLU 49 2HB GLU 49 -9.258 -15.284 -5.340 355 HG2 GLU 49 1HG GLU 49 -10.162 -12.376 -5.065 356 HG3 GLU 49 2HG GLU 49 -9.661 -13.165 -6.553 357 H ASP 50 H ASP 50 -10.631 -16.991 -2.770 358 HA ASP 50 HA ASP 50 -9.800 -18.850 -1.722 359 HB2 ASP 50 1HB ASP 50 -9.152 -18.737 -4.212 360 HB3 ASP 50 2HB ASP 50 -7.523 -18.343 -3.675 361 H GLY 51 H GLY 51 -8.667 -16.426 -0.350 362 HA2 GLY 51 1HA GLY 51 -7.535 -16.778 1.868 363 HA3 GLY 51 2HA GLY 51 -6.250 -17.637 1.010 364 H GLU 52 H GLU 52 -6.610 -15.519 -1.244 365 HA GLU 52 HA GLU 52 -4.599 -13.628 -0.298 366 HB2 GLU 52 1HB GLU 52 -4.533 -14.467 -2.617 367 HB3 GLU 52 2HB GLU 52 -6.175 -13.857 -2.890 368 HG2 GLU 52 1HG GLU 52 -5.347 -11.515 -2.575 369 HG3 GLU 52 2HG GLU 52 -3.725 -12.140 -2.430 370 H GLU 53 H GLU 53 -4.935 -11.544 0.294 371 HA GLU 53 HA GLU 53 -7.720 -10.448 0.336 372 HB2 GLU 53 1HB GLU 53 -5.487 -10.001 2.363 373 HB3 GLU 53 2HB GLU 53 -7.052 -9.183 2.341 374 HG2 GLU 53 1HG GLU 53 -8.182 -11.402 2.640 375 HG3 GLU 53 2HG GLU 53 -6.599 -12.170 2.754 376 H ILE 54 H ILE 54 -7.967 -8.553 -0.766 377 HA ILE 54 HA ILE 54 -5.495 -7.062 -1.530 378 HB ILE 54 HB ILE 54 -7.996 -7.380 -3.234 379 HG12 ILE 54 1HG1 ILE 54 -6.051 -8.575 -4.720 380 HG13 ILE 54 2HG1 ILE 54 -5.435 -8.997 -3.131 381 HG21 ILE 54 1HG2 ILE 54 -5.288 -6.114 -3.630 382 HG22 ILE 54 2HG2 ILE 54 -6.454 -6.382 -4.956 383 HG23 ILE 54 3HG2 ILE 54 -6.878 -5.316 -3.621 384 HD11 ILE 54 3HD1 ILE 54 -6.853 -10.780 -4.079 385 HD12 ILE 54 1HD1 ILE 54 -7.665 -10.119 -2.651 386 HD13 ILE 54 2HD1 ILE 54 -8.184 -9.668 -4.295 387 H VAL 55 H VAL 55 -5.558 -4.875 -1.319 388 HA VAL 55 HA VAL 55 -8.117 -3.536 -0.525 389 HB VAL 55 HB VAL 55 -5.384 -3.050 0.739 390 HG11 VAL 55 1HG1 VAL 55 -6.608 -1.608 2.286 391 HG12 VAL 55 2HG1 VAL 55 -6.770 -1.034 0.627 392 HG13 VAL 55 3HG1 VAL 55 -8.128 -1.898 1.395 393 HG21 VAL 55 3HG2 VAL 55 -6.442 -3.935 2.833 394 HG22 VAL 55 1HG2 VAL 55 -7.834 -4.467 1.857 395 HG23 VAL 55 2HG2 VAL 55 -6.217 -5.165 1.586 396 H THR 56 H THR 56 -8.530 -2.031 -2.015 397 HA THR 56 HA THR 56 -6.241 -0.507 -3.197 398 HB THR 56 HB THR 56 -7.290 -0.372 -5.313 399 HG1 THR 56 HG1 THR 56 -9.131 -1.612 -5.772 400 HG21 THR 56 3HG2 THR 56 -7.297 -3.315 -4.497 401 HG22 THR 56 1HG2 THR 56 -5.814 -2.370 -4.718 402 HG23 THR 56 2HG2 THR 56 -6.913 -2.622 -6.084 403 H TYR 57 H TYR 57 -6.330 1.669 -3.189 404 HA TYR 57 HA TYR 57 -8.883 3.060 -2.870 405 HD1 TYR 57 HD1 TYR 57 -6.551 1.136 0.069 406 HD2 TYR 57 HD2 TYR 57 -6.335 5.421 -0.335 407 HE1 TYR 57 HE1 TYR 57 -4.586 1.190 1.605 408 HE2 TYR 57 HE2 TYR 57 -4.372 5.470 1.176 409 HH TYR 57 HH TYR 57 -2.986 4.259 2.526 410 HB2 TYR 57 1HB TYR 57 -8.466 4.137 -0.798 411 HB3 TYR 57 2HB TYR 57 -8.476 2.429 -0.623 412 H ASP 58 H ASP 58 -8.144 5.532 -2.122 413 HA ASP 58 HA ASP 58 -5.990 6.473 -3.960 414 HB2 ASP 58 1HB ASP 58 -8.956 7.288 -3.872 415 HB3 ASP 58 2HB ASP 58 -7.708 8.267 -4.608 416 H HIS 59 H HIS 59 -5.355 8.657 -3.439 417 HA HIS 59 HA HIS 59 -6.013 9.606 -0.668 418 HD1 HIS 59 HD1 HIS 59 -3.083 8.999 1.266 419 HD2 HIS 59 HD2 HIS 59 -2.752 7.629 -2.701 420 HE1 HIS 59 HE1 HIS 59 -1.625 6.936 1.332 421 HB2 HIS 59 1HB HIS 59 -3.517 10.219 -2.287 422 HB3 HIS 59 2HB HIS 59 -3.857 10.694 -0.639 423 H LEU 60 H LEU 60 -6.620 11.768 -0.449 424 HA LEU 60 HA LEU 60 -6.981 13.401 -2.925 425 HG LEU 60 HG LEU 60 -9.000 12.373 -3.770 426 HB2 LEU 60 1HB LEU 60 -9.050 12.826 -0.759 427 HB3 LEU 60 2HB LEU 60 -9.143 14.159 -1.897 428 HD11 LEU 60 1HD1 LEU 60 -10.071 10.671 -1.461 429 HD12 LEU 60 2HD1 LEU 60 -8.529 10.380 -2.276 430 HD13 LEU 60 3HD1 LEU 60 -10.010 10.220 -3.193 431 HD21 LEU 60 3HD2 LEU 60 -11.467 12.585 -1.991 432 HD22 LEU 60 1HD2 LEU 60 -11.436 12.091 -3.704 433 HD23 LEU 60 2HD2 LEU 60 -10.988 13.737 -3.252 434 H CYS 61 H CYS 61 -6.458 15.491 -2.718 435 HA CYS 61 HA CYS 61 -5.085 16.534 -0.464 436 HB2 CYS 61 1HB CYS 61 -5.033 17.141 -2.964 437 HB3 CYS 61 2HB CYS 61 -6.520 18.043 -2.696 438 H LYS 62 H LYS 62 -5.828 17.292 1.451 439 HA LYS 62 HA LYS 62 -8.657 17.429 2.061 440 HB2 LYS 62 1HB LYS 62 -7.153 16.896 3.823 441 HB3 LYS 62 2HB LYS 62 -6.139 18.278 3.509 442 HG2 LYS 62 1HG LYS 62 -7.264 18.621 5.575 443 HG3 LYS 62 2HG LYS 62 -7.809 19.809 4.408 444 HD2 LYS 62 1HD LYS 62 -9.842 18.218 4.007 445 HD3 LYS 62 2HD LYS 62 -9.258 17.341 5.420 446 HE2 LYS 62 1HE LYS 62 -10.977 18.828 6.161 447 HE3 LYS 62 2HE LYS 62 -9.437 19.431 6.779 448 HZ1 LYS 62 3HZ LYS 62 -10.843 21.201 5.817 449 HZ2 LYS 62 1HZ LYS 62 -10.801 20.480 4.348 450 HZ3 LYS 62 2HZ LYS 62 -9.435 21.084 4.998 451 H ASN 63 H ASN 63 -6.724 19.640 0.332 452 HA ASN 63 HA ASN 63 -8.325 22.018 1.097 453 HB2 ASN 63 1HB ASN 63 -5.952 22.319 1.104 454 HB3 ASN 63 2HB ASN 63 -5.788 21.703 -0.535 455 HD21 ASN 63 1HD2 ASN 63 -5.526 23.324 -2.024 456 HD22 ASN 63 2HD2 ASN 63 -6.294 24.909 -1.876 457 H CYS 64 H CYS 64 -7.097 20.702 -2.080 458 HA CYS 64 HA CYS 64 -9.507 21.760 -3.373 459 HB2 CYS 64 1HB CYS 64 -8.244 21.371 -5.444 460 HB3 CYS 64 2HB CYS 64 -7.432 22.438 -4.306 461 H HIS 65 H HIS 65 -8.758 18.769 -2.057 462 HA HIS 65 HA HIS 65 -9.416 16.630 -2.347 463 HD1 HIS 65 HD1 HIS 65 -12.146 19.617 -1.131 464 HD2 HIS 65 HD2 HIS 65 -11.000 15.656 -0.183 465 HE1 HIS 65 HE1 HIS 65 -12.167 19.449 1.438 466 HE2 HIS 65 HE2 HIS 65 -11.525 17.017 2.004 467 HB2 HIS 65 1HB HIS 65 -11.992 17.940 -3.215 468 HB3 HIS 65 2HB HIS 65 -11.803 16.237 -2.790 469 H HIS 66 H HIS 66 -8.054 17.831 -4.630 470 HA HIS 66 HA HIS 66 -8.697 16.251 -6.987 471 HD1 HIS 66 HD1 HIS 66 -5.848 16.058 -9.120 472 HD2 HIS 66 HD2 HIS 66 -4.405 17.375 -5.381 473 HE1 HIS 66 HE1 HIS 66 -3.332 15.959 -9.241 474 HB2 HIS 66 1HB HIS 66 -7.329 17.890 -7.640 475 HB3 HIS 66 2HB HIS 66 -6.693 18.136 -6.024 476 H VAL 67 H VAL 67 -7.723 14.170 -7.504 477 HA VAL 67 HA VAL 67 -6.931 12.560 -5.211 478 HB VAL 67 HB VAL 67 -7.005 11.807 -8.164 479 HG11 VAL 67 1HG1 VAL 67 -7.037 9.508 -7.320 480 HG12 VAL 67 2HG1 VAL 67 -5.582 10.318 -6.709 481 HG13 VAL 67 3HG1 VAL 67 -6.970 10.095 -5.646 482 HG21 VAL 67 3HG2 VAL 67 -9.266 12.424 -7.358 483 HG22 VAL 67 1HG2 VAL 67 -9.138 10.676 -7.582 484 HG23 VAL 67 2HG2 VAL 67 -9.060 11.362 -5.947 485 H ILE 68 H ILE 68 -5.070 12.981 -4.353 486 HA ILE 68 HA ILE 68 -2.699 13.987 -5.563 487 HB ILE 68 HB ILE 68 -3.296 12.546 -2.978 488 HG12 ILE 68 1HG1 ILE 68 -2.482 15.400 -3.696 489 HG13 ILE 68 2HG1 ILE 68 -4.138 14.871 -3.434 490 HG21 ILE 68 1HG2 ILE 68 -1.008 13.087 -2.176 491 HG22 ILE 68 2HG2 ILE 68 -0.944 11.943 -3.489 492 HG23 ILE 68 3HG2 ILE 68 -0.573 13.647 -3.799 493 HD11 ILE 68 3HD1 ILE 68 -3.650 14.320 -1.108 494 HD12 ILE 68 1HD1 ILE 68 -1.953 14.836 -1.324 495 HD13 ILE 68 2HD1 ILE 68 -3.243 16.014 -1.497 496 H ALA 69 H ALA 69 -3.651 10.641 -4.718 497 HA ALA 69 HA ALA 69 -1.909 9.441 -6.743 498 HB1 ALA 69 3HB ALA 69 -0.274 9.940 -5.003 499 HB2 ALA 69 1HB ALA 69 -1.333 9.294 -3.741 500 HB3 ALA 69 2HB ALA 69 -0.602 8.195 -4.921 501 H ARG 70 H ARG 70 -1.969 7.026 -6.594 502 HA ARG 70 HA ARG 70 -4.542 5.914 -5.518 503 HE ARG 70 HE ARG 70 -3.746 6.842 -9.933 504 HB2 ARG 70 1HB ARG 70 -3.078 5.427 -8.134 505 HB3 ARG 70 2HB ARG 70 -4.050 4.175 -7.365 506 HG2 ARG 70 1HG ARG 70 -5.403 5.165 -9.009 507 HG3 ARG 70 2HG ARG 70 -6.010 5.505 -7.384 508 HD2 ARG 70 1HD ARG 70 -6.173 7.489 -8.828 509 HD3 ARG 70 2HD ARG 70 -5.054 7.731 -7.473 510 HH11 ARG 70 1HH1 ARG 70 -4.901 9.743 -8.387 511 HH12 ARG 70 2HH1 ARG 70 -3.683 10.752 -9.113 512 HH21 ARG 70 1HH2 ARG 70 -2.237 8.176 -10.888 513 HH22 ARG 70 2HH2 ARG 70 -2.242 9.878 -10.537 514 H HIS 71 H HIS 71 -4.421 4.055 -4.456 515 HA HIS 71 HA HIS 71 -1.715 2.917 -3.771 516 HD2 HIS 71 HD2 HIS 71 -2.711 0.536 -1.109 517 HE1 HIS 71 HE1 HIS 71 0.290 2.713 0.991 518 HE2 HIS 71 HE2 HIS 71 -0.867 0.452 0.761 519 HB2 HIS 71 1HB HIS 71 -2.949 4.412 -2.065 520 HB3 HIS 71 2HB HIS 71 -4.101 3.105 -1.901 521 H GLU 72 H GLU 72 -1.524 0.734 -3.774 522 HA GLU 72 HA GLU 72 -3.929 -0.997 -3.577 523 HB2 GLU 72 1HB GLU 72 -3.626 -0.932 -5.925 524 HB3 GLU 72 2HB GLU 72 -1.865 -1.020 -5.809 525 HG2 GLU 72 1HG GLU 72 -1.907 -3.289 -5.078 526 HG3 GLU 72 2HG GLU 72 -3.662 -3.275 -4.832 527 H TYR 73 H TYR 73 -3.608 -2.555 -2.132 528 HA TYR 73 HA TYR 73 -0.859 -3.539 -1.546 529 HD1 TYR 73 HD1 TYR 73 0.294 -4.519 0.732 530 HD2 TYR 73 HD2 TYR 73 -3.852 -4.111 1.848 531 HE1 TYR 73 HE1 TYR 73 0.559 -6.350 2.363 532 HE2 TYR 73 HE2 TYR 73 -3.571 -5.910 3.523 533 HH TYR 73 HH TYR 73 -2.114 -7.346 4.550 534 HB2 TYR 73 1HB TYR 73 -1.280 -2.249 0.365 535 HB3 TYR 73 2HB TYR 73 -2.993 -2.597 0.357 536 H THR 74 H THR 74 -0.776 -5.683 -1.887 537 HA THR 74 HA THR 74 -3.319 -7.280 -1.709 538 HB THR 74 HB THR 74 -3.078 -8.345 -3.663 539 HG1 THR 74 HG1 THR 74 -1.167 -8.526 -4.840 540 HG21 THR 74 3HG2 THR 74 -2.741 -6.856 -5.496 541 HG22 THR 74 1HG2 THR 74 -1.572 -5.871 -4.592 542 HG23 THR 74 2HG2 THR 74 -3.284 -5.804 -4.183 543 H PHE 75 H PHE 75 -3.167 -9.103 -0.611 544 HA PHE 75 HA PHE 75 -0.457 -10.054 0.281 545 HD1 PHE 75 HD1 PHE 75 0.436 -10.651 2.821 546 HD2 PHE 75 HD2 PHE 75 -3.772 -11.587 2.780 547 HE1 PHE 75 HE1 PHE 75 0.867 -12.586 4.225 548 HE2 PHE 75 HE2 PHE 75 -3.326 -13.611 4.135 549 HZ PHE 75 HZ PHE 75 -0.989 -14.159 4.816 550 HB2 PHE 75 1HB PHE 75 -1.301 -8.952 2.127 551 HB3 PHE 75 2HB PHE 75 -2.950 -9.463 1.881 552 H SER 76 H SER 76 -0.143 -12.222 -0.127 553 HA SER 76 HA SER 76 -2.459 -14.045 -0.722 554 HG SER 76 HG SER 76 -1.433 -13.868 -4.003 555 HB2 SER 76 1HB SER 76 0.008 -13.428 -2.300 556 HB3 SER 76 2HB SER 76 -0.544 -15.099 -2.289 557 H ILE 77 H ILE 77 -2.324 -16.148 -0.022 558 HA ILE 77 HA ILE 77 0.143 -16.924 1.533 559 HB ILE 77 HB ILE 77 -2.672 -17.966 1.943 560 HG12 ILE 77 1HG1 ILE 77 -1.029 -15.841 3.281 561 HG13 ILE 77 2HG1 ILE 77 -2.718 -15.804 2.738 562 HG21 ILE 77 1HG2 ILE 77 -0.837 -19.647 2.354 563 HG22 ILE 77 2HG2 ILE 77 -0.103 -18.501 3.500 564 HG23 ILE 77 3HG2 ILE 77 -1.704 -19.204 3.820 565 HD11 ILE 77 3HD1 ILE 77 -1.591 -17.168 5.206 566 HD12 ILE 77 1HD1 ILE 77 -2.695 -15.791 5.135 567 HD13 ILE 77 2HD1 ILE 77 -3.270 -17.393 4.627 568 H MET 78 H MET 78 1.399 -18.402 0.664 569 HA MET 78 HA MET 78 0.237 -20.367 -1.244 570 HB2 MET 78 1HB MET 78 2.468 -20.369 -2.400 571 HB3 MET 78 2HB MET 78 1.459 -18.947 -2.648 572 HG2 MET 78 1HG MET 78 2.825 -17.563 -1.331 573 HG3 MET 78 2HG MET 78 3.606 -18.913 -0.519 574 HE1 MET 78 3HE MET 78 4.565 -18.088 -4.982 575 HE2 MET 78 1HE MET 78 3.287 -19.207 -4.471 576 HE3 MET 78 2HE MET 78 3.107 -17.461 -4.175 577 H ASP 79 H ASP 79 0.239 -22.310 -0.519 578 HA ASP 79 HA ASP 79 0.652 -24.244 0.557 579 HB2 ASP 79 1HB ASP 79 3.470 -23.497 -0.265 580 HB3 ASP 79 2HB ASP 79 2.985 -25.099 0.287 581 H GLU 80 H GLU 80 3.554 -22.495 1.681 582 HA GLU 80 HA GLU 80 2.854 -23.008 4.539 583 HB2 GLU 80 1HB GLU 80 5.680 -23.329 3.505 584 HB3 GLU 80 2HB GLU 80 5.022 -23.785 5.073 585 HG2 GLU 80 1HG GLU 80 3.637 -25.544 3.821 586 HG3 GLU 80 2HG GLU 80 4.596 -25.128 2.386 587 H PHE 81 H PHE 81 3.419 -20.647 2.295 588 HA PHE 81 HA PHE 81 4.885 -18.930 4.298 589 HD1 PHE 81 HD1 PHE 81 6.995 -20.744 3.683 590 HD2 PHE 81 HD2 PHE 81 5.825 -19.615 -0.287 591 HE1 PHE 81 HE1 PHE 81 8.260 -22.679 2.763 592 HE2 PHE 81 HE2 PHE 81 7.018 -21.561 -1.222 593 HZ PHE 81 HZ PHE 81 8.273 -23.102 0.310 594 HB2 PHE 81 1HB PHE 81 5.187 -18.263 1.392 595 HB3 PHE 81 2HB PHE 81 6.299 -18.128 2.692 596 H GLN 82 H GLN 82 4.634 -16.618 3.721 597 HA GLN 82 HA GLN 82 1.937 -15.915 2.605 598 HB2 GLN 82 1HB GLN 82 3.210 -14.181 4.664 599 HB3 GLN 82 2HB GLN 82 1.507 -14.477 4.262 600 HG2 GLN 82 1HG GLN 82 1.699 -16.704 5.373 601 HG3 GLN 82 2HG GLN 82 3.280 -16.132 5.995 602 HE21 GLN 82 1HE2 GLN 82 3.237 -14.072 7.305 603 HE22 GLN 82 2HE2 GLN 82 1.787 -13.746 8.238 604 H GLU 83 H GLU 83 1.856 -14.138 1.334 605 HA GLU 83 HA GLU 83 4.415 -12.825 0.510 606 HB2 GLU 83 1HB GLU 83 2.081 -13.920 -1.101 607 HB3 GLU 83 2HB GLU 83 2.947 -12.516 -1.691 608 HG2 GLU 83 1HG GLU 83 5.061 -13.742 -1.635 609 HG3 GLU 83 2HG GLU 83 4.195 -15.221 -1.150 610 H TYR 84 H TYR 84 4.415 -10.722 0.613 611 HA TYR 84 HA TYR 84 1.853 -9.173 0.925 612 HD1 TYR 84 HD1 TYR 84 4.437 -10.929 3.384 613 HD2 TYR 84 HD2 TYR 84 1.334 -7.937 3.606 614 HE1 TYR 84 HE1 TYR 84 3.481 -12.079 5.387 615 HE2 TYR 84 HE2 TYR 84 0.458 -8.996 5.670 616 HH TYR 84 HH TYR 84 0.692 -10.702 7.189 617 HB2 TYR 84 1HB TYR 84 4.612 -8.734 2.119 618 HB3 TYR 84 2HB TYR 84 3.297 -7.580 2.186 619 H THR 85 H THR 85 1.569 -7.635 -0.669 620 HA THR 85 HA THR 85 3.997 -6.459 -1.900 621 HB THR 85 HB THR 85 3.534 -6.844 -4.068 622 HG1 THR 85 HG1 THR 85 0.852 -7.621 -3.554 623 HG21 THR 85 3HG2 THR 85 2.154 -9.323 -2.910 624 HG22 THR 85 1HG2 THR 85 3.907 -9.118 -3.075 625 HG23 THR 85 2HG2 THR 85 2.892 -9.166 -4.520 626 H MET 86 H MET 86 3.791 -4.349 -2.400 627 HA MET 86 HA MET 86 1.151 -2.963 -2.194 628 HB2 MET 86 1HB MET 86 2.109 -2.766 -0.034 629 HB3 MET 86 2HB MET 86 3.694 -2.285 -0.680 630 HG2 MET 86 1HG MET 86 2.587 -0.226 -1.592 631 HG3 MET 86 2HG MET 86 1.075 -0.751 -0.843 632 HE1 MET 86 3HE MET 86 4.870 0.843 1.249 633 HE2 MET 86 1HE MET 86 4.877 -0.345 -0.073 634 HE3 MET 86 2HE MET 86 4.360 1.319 -0.389 635 H LEU 87 H LEU 87 0.951 -1.260 -3.426 636 HA LEU 87 HA LEU 87 3.141 -0.154 -5.108 637 HG LEU 87 HG LEU 87 1.973 0.548 -7.437 638 HB2 LEU 87 1HB LEU 87 2.146 -2.206 -6.283 639 HB3 LEU 87 2HB LEU 87 0.612 -1.367 -6.278 640 HD11 LEU 87 1HD1 LEU 87 3.553 -1.910 -8.248 641 HD12 LEU 87 2HD1 LEU 87 4.130 -0.632 -7.169 642 HD13 LEU 87 3HD1 LEU 87 3.769 -0.250 -8.865 643 HD21 LEU 87 3HD2 LEU 87 1.163 -1.978 -8.923 644 HD22 LEU 87 1HD2 LEU 87 1.414 -0.372 -9.654 645 HD23 LEU 87 2HD2 LEU 87 0.094 -0.623 -8.497 646 H CYS 88 H CYS 88 2.860 1.900 -4.432 647 HA CYS 88 HA CYS 88 0.353 3.328 -5.033 648 HB2 CYS 88 1HB CYS 88 0.257 2.867 -2.631 649 HB3 CYS 88 2HB CYS 88 1.893 3.413 -2.427 650 H LEU 89 H LEU 89 0.715 5.290 -5.913 651 HA LEU 89 HA LEU 89 3.276 6.067 -6.949 652 HG LEU 89 HG LEU 89 2.346 9.247 -6.823 653 HB2 LEU 89 1HB LEU 89 1.255 6.701 -8.092 654 HB3 LEU 89 2HB LEU 89 0.605 7.480 -6.658 655 HD11 LEU 89 1HD1 LEU 89 4.047 7.941 -8.103 656 HD12 LEU 89 2HD1 LEU 89 3.657 9.528 -8.805 657 HD13 LEU 89 3HD1 LEU 89 2.997 8.043 -9.528 658 HD21 LEU 89 3HD2 LEU 89 0.723 8.875 -9.367 659 HD22 LEU 89 1HD2 LEU 89 1.495 10.381 -8.842 660 HD23 LEU 89 2HD2 LEU 89 0.178 9.691 -7.876 661 H LEU 90 H LEU 90 1.616 6.909 -3.946 662 HA LEU 90 HA LEU 90 3.694 8.934 -3.227 663 HG LEU 90 HG LEU 90 2.424 8.671 -0.163 664 HB2 LEU 90 1HB LEU 90 1.405 9.642 -2.890 665 HB3 LEU 90 2HB LEU 90 0.977 8.136 -2.107 666 HD11 LEU 90 1HD1 LEU 90 4.097 10.071 -1.397 667 HD12 LEU 90 2HD1 LEU 90 3.480 10.767 0.089 668 HD13 LEU 90 3HD1 LEU 90 2.879 11.371 -1.464 669 HD21 LEU 90 3HD2 LEU 90 0.085 9.349 -0.131 670 HD22 LEU 90 1HD2 LEU 90 0.500 10.909 -0.877 671 HD23 LEU 90 2HD2 LEU 90 1.106 10.498 0.750 672 H CYS 91 H CYS 91 1.928 6.239 -1.598 673 HA CYS 91 HA CYS 91 3.773 6.115 0.475 674 HB2 CYS 91 1HB CYS 91 1.724 4.102 -0.470 675 HB3 CYS 91 2HB CYS 91 2.511 4.021 1.097 676 H GLY 92 H GLY 92 3.669 4.199 -2.506 677 HA2 GLY 92 1HA GLY 92 6.038 3.810 -3.282 678 HA3 GLY 92 2HA GLY 92 6.336 3.059 -1.739 679 H LYS 93 H LYS 93 7.159 1.748 -3.748 680 HA LYS 93 HA LYS 93 5.246 -0.499 -4.149 681 HB2 LYS 93 1HB LYS 93 5.778 0.419 -6.264 682 HB3 LYS 93 2HB LYS 93 7.476 0.525 -5.897 683 HG2 LYS 93 1HG LYS 93 7.630 -1.993 -5.816 684 HG3 LYS 93 2HG LYS 93 5.904 -2.083 -6.154 685 HD2 LYS 93 1HD LYS 93 7.109 -2.519 -8.194 686 HD3 LYS 93 2HD LYS 93 6.290 -0.962 -8.363 687 HE2 LYS 93 1HE LYS 93 8.420 0.216 -7.836 688 HE3 LYS 93 2HE LYS 93 9.230 -1.347 -7.646 689 HZ1 LYS 93 3HZ LYS 93 8.748 -1.809 -9.989 690 HZ2 LYS 93 1HZ LYS 93 9.592 -0.419 -9.864 691 HZ3 LYS 93 2HZ LYS 93 7.990 -0.371 -10.167 692 H ALA 94 H ALA 94 5.604 -2.170 -2.949 693 HA ALA 94 HA ALA 94 8.350 -3.028 -2.349 694 HB1 ALA 94 3HB ALA 94 7.718 -1.483 -0.505 695 HB2 ALA 94 1HB ALA 94 6.224 -2.409 -0.240 696 HB3 ALA 94 2HB ALA 94 7.794 -3.147 0.101 697 H GLU 95 H GLU 95 8.548 -5.200 -1.473 698 HA GLU 95 HA GLU 95 6.185 -6.916 -1.416 699 HB2 GLU 95 1HB GLU 95 6.751 -6.953 -3.796 700 HB3 GLU 95 2HB GLU 95 8.445 -7.293 -3.418 701 HG2 GLU 95 1HG GLU 95 7.845 -9.507 -2.539 702 HG3 GLU 95 2HG GLU 95 6.136 -9.174 -2.815 703 H ASP 96 H ASP 96 6.415 -8.615 -0.042 704 HA ASP 96 HA ASP 96 9.069 -9.420 0.947 705 HB2 ASP 96 1HB ASP 96 7.834 -7.590 2.464 706 HB3 ASP 96 2HB ASP 96 6.818 -8.929 2.927 707 H THR 97 H THR 97 9.081 -11.549 1.918 708 HA THR 97 HA THR 97 6.526 -13.026 1.842 709 HB THR 97 HB THR 97 8.966 -14.458 0.846 710 HG1 THR 97 HG1 THR 97 8.713 -12.718 -0.572 711 HG21 THR 97 3HG2 THR 97 5.995 -14.752 0.297 712 HG22 THR 97 1HG2 THR 97 6.906 -15.736 1.452 713 HG23 THR 97 2HG2 THR 97 7.269 -15.850 -0.284 714 H ILE 98 H ILE 98 6.209 -14.376 3.531 715 HA ILE 98 HA ILE 98 8.467 -14.788 5.474 716 HB ILE 98 HB ILE 98 5.555 -14.591 6.232 717 HG12 ILE 98 1HG1 ILE 98 7.542 -12.297 6.085 718 HG13 ILE 98 2HG1 ILE 98 6.006 -12.456 5.204 719 HG21 ILE 98 1HG2 ILE 98 7.163 -15.671 7.795 720 HG22 ILE 98 2HG2 ILE 98 8.094 -14.153 7.841 721 HG23 ILE 98 3HG2 ILE 98 6.434 -14.229 8.478 722 HD11 ILE 98 3HD1 ILE 98 6.359 -11.944 8.180 723 HD12 ILE 98 1HD1 ILE 98 5.661 -10.872 6.959 724 HD13 ILE 98 2HD1 ILE 98 4.800 -12.354 7.422 725 H SER 99 H SER 99 8.883 -16.890 5.928 726 HA SER 99 HA SER 99 7.018 -18.998 5.017 727 HG SER 99 HG SER 99 10.848 -19.594 6.225 728 HB2 SER 99 1HB SER 99 8.778 -20.560 5.814 729 HB3 SER 99 2HB SER 99 9.280 -19.439 4.539 730 H ILE 100 H ILE 100 5.676 -20.167 6.308 731 HA ILE 100 HA ILE 100 5.775 -19.732 9.247 732 HB ILE 100 HB ILE 100 3.329 -19.370 9.299 733 HG12 ILE 100 1HG1 ILE 100 2.228 -18.383 7.285 734 HG13 ILE 100 2HG1 ILE 100 3.526 -19.004 6.278 735 HG21 ILE 100 1HG2 ILE 100 3.438 -17.025 8.807 736 HG22 ILE 100 2HG2 ILE 100 5.006 -17.541 9.450 737 HG23 ILE 100 3HG2 ILE 100 4.812 -17.253 7.709 738 HD11 ILE 100 3HD1 ILE 100 1.608 -20.673 7.976 739 HD12 ILE 100 1HD1 ILE 100 1.486 -20.404 6.225 740 HD13 ILE 100 2HD1 ILE 100 2.843 -21.328 6.878 741 H LEU 101 H LEU 101 3.811 -21.057 10.219 742 HA LEU 101 HA LEU 101 3.877 -23.880 9.285 743 HG LEU 101 HG LEU 101 6.530 -22.957 10.484 744 HB2 LEU 101 1HB LEU 101 4.548 -22.620 11.979 745 HB3 LEU 101 2HB LEU 101 4.173 -24.328 11.853 746 HD11 LEU 101 1HD1 LEU 101 6.412 -24.813 12.896 747 HD12 LEU 101 2HD1 LEU 101 6.748 -23.067 12.935 748 HD13 LEU 101 3HD1 LEU 101 7.884 -24.165 12.137 749 HD21 LEU 101 3HD2 LEU 101 7.314 -25.282 10.069 750 HD22 LEU 101 1HD2 LEU 101 5.817 -24.937 9.203 751 HD23 LEU 101 2HD2 LEU 101 5.774 -25.910 10.693 752 HA PRO 102 HA PRO 102 -0.450 -23.835 10.257 753 HB2 PRO 102 1HB PRO 102 -0.940 -26.203 11.602 754 HB3 PRO 102 2HB PRO 102 -0.638 -26.065 9.844 755 HG2 PRO 102 1HG PRO 102 1.356 -26.735 12.025 756 HG3 PRO 102 2HG PRO 102 1.088 -27.586 10.469 757 HD2 PRO 102 1HD PRO 102 3.086 -25.805 10.730 758 HD3 PRO 102 2HD PRO 102 2.111 -25.832 9.236 759 H ASP 103 H ASP 103 1.806 -23.947 12.882 760 HA ASP 103 HA ASP 103 -0.047 -23.423 15.060 761 HB2 ASP 103 1HB ASP 103 2.232 -24.509 15.225 762 HB3 ASP 103 2HB ASP 103 2.954 -22.945 14.854 763 H ASP 104 H ASP 104 0.825 -21.528 12.453 764 HA ASP 104 HA ASP 104 0.862 -19.373 11.886 765 HB2 ASP 104 1HB ASP 104 -1.496 -19.802 12.494 766 HB3 ASP 104 2HB ASP 104 -1.207 -19.103 14.086 767 HA PRO 105 HA PRO 105 3.600 -17.912 15.430 768 HB2 PRO 105 1HB PRO 105 6.094 -18.387 14.464 769 HB3 PRO 105 2HB PRO 105 5.099 -19.674 15.207 770 HG2 PRO 105 1HG PRO 105 5.411 -19.052 12.244 771 HG3 PRO 105 2HG PRO 105 5.603 -20.633 13.068 772 HD2 PRO 105 1HD PRO 105 3.251 -19.908 11.877 773 HD3 PRO 105 2HD PRO 105 3.296 -20.863 13.389 774 H ARG 106 H ARG 106 3.627 -17.236 11.986 775 HA ARG 106 HA ARG 106 4.288 -15.468 10.673 776 HE ARG 106 HE ARG 106 -0.669 -15.372 11.810 777 HB2 ARG 106 1HB ARG 106 3.211 -13.820 12.986 778 HB3 ARG 106 2HB ARG 106 3.301 -13.350 11.282 779 HG2 ARG 106 1HG ARG 106 1.726 -15.241 10.728 780 HG3 ARG 106 2HG ARG 106 1.572 -15.550 12.470 781 HD2 ARG 106 1HD ARG 106 0.817 -13.154 12.750 782 HD3 ARG 106 2HD ARG 106 0.753 -13.037 10.976 783 HH11 ARG 106 1HH1 ARG 106 -1.155 -11.890 11.807 784 HH12 ARG 106 2HH1 ARG 106 -2.879 -12.050 12.011 785 HH21 ARG 106 1HH2 ARG 106 -2.761 -15.494 12.278 786 HH22 ARG 106 2HH2 ARG 106 -3.798 -14.074 12.216 787 H GLN 107 H GLN 107 6.489 -16.425 12.173 788 HA GLN 107 HA GLN 107 8.601 -15.935 12.929 789 HB2 GLN 107 1HB GLN 107 8.368 -13.922 10.660 790 HB3 GLN 107 2HB GLN 107 9.880 -14.421 11.406 791 HG2 GLN 107 1HG GLN 107 7.961 -16.260 9.919 792 HG3 GLN 107 2HG GLN 107 9.426 -15.568 9.247 793 HE21 GLN 107 1HE2 GLN 107 8.846 -18.387 9.408 794 HE22 GLN 107 2HE2 GLN 107 10.078 -19.093 10.461 Start of MODEL 8 1 HA CYS 2 HA CYS 2 -1.331 14.924 -10.673 2 H1 CYS 2 1H CYS 2 -1.179 15.648 -7.918 3 HB2 CYS 2 1HB CYS 2 -0.173 17.337 -10.731 4 HB3 CYS 2 2HB CYS 2 -1.872 17.088 -10.449 5 H GLY 3 H GLY 3 0.681 13.660 -8.700 6 HA2 GLY 3 1HA GLY 3 2.643 12.465 -8.943 7 HA3 GLY 3 2HA GLY 3 2.830 13.041 -10.592 8 H ASP 4 H ASP 4 2.679 15.911 -9.816 9 HA ASP 4 HA ASP 4 5.410 16.416 -8.904 10 HB2 ASP 4 1HB ASP 4 2.974 18.152 -9.411 11 HB3 ASP 4 2HB ASP 4 4.446 18.806 -8.691 12 H CYS 5 H CYS 5 2.389 15.730 -7.328 13 HA CYS 5 HA CYS 5 2.727 16.912 -4.811 14 HB2 CYS 5 1HB CYS 5 1.401 14.250 -5.537 15 HB3 CYS 5 2HB CYS 5 1.241 15.072 -4.026 16 H VAL 6 H VAL 6 4.302 14.077 -6.224 17 HA VAL 6 HA VAL 6 5.330 13.185 -3.554 18 HB VAL 6 HB VAL 6 5.626 11.037 -4.391 19 HG11 VAL 6 1HG1 VAL 6 3.387 11.615 -3.556 20 HG12 VAL 6 2HG1 VAL 6 2.858 12.005 -5.204 21 HG13 VAL 6 3HG1 VAL 6 3.312 10.354 -4.794 22 HG21 VAL 6 3HG2 VAL 6 4.457 11.810 -7.082 23 HG22 VAL 6 1HG2 VAL 6 6.178 11.455 -6.802 24 HG23 VAL 6 2HG2 VAL 6 4.964 10.205 -6.548 25 H GLU 7 H GLU 7 7.514 13.032 -3.171 26 HA GLU 7 HA GLU 7 9.417 14.477 -4.756 27 HB2 GLU 7 1HB GLU 7 9.643 14.233 -2.327 28 HB3 GLU 7 2HB GLU 7 9.742 12.504 -2.453 29 HG2 GLU 7 1HG GLU 7 11.865 12.810 -3.786 30 HG3 GLU 7 2HG GLU 7 11.769 14.532 -3.393 31 H LYS 8 H LYS 8 8.714 11.011 -4.392 32 HA LYS 8 HA LYS 8 10.116 10.363 -6.953 33 HB2 LYS 8 1HB LYS 8 10.185 8.818 -4.317 34 HB3 LYS 8 2HB LYS 8 10.772 8.196 -5.863 35 HG2 LYS 8 1HG LYS 8 12.425 10.067 -5.968 36 HG3 LYS 8 2HG LYS 8 11.913 10.600 -4.362 37 HD2 LYS 8 1HD LYS 8 12.999 7.826 -4.966 38 HD3 LYS 8 2HD LYS 8 14.016 9.161 -4.448 39 HE2 LYS 8 1HE LYS 8 11.619 8.280 -2.788 40 HE3 LYS 8 2HE LYS 8 13.162 7.430 -2.696 41 HZ1 LYS 8 3HZ LYS 8 13.070 9.122 -1.002 42 HZ2 LYS 8 1HZ LYS 8 12.783 10.324 -2.053 43 HZ3 LYS 8 2HZ LYS 8 14.220 9.544 -2.073 44 H GLU 9 H GLU 9 9.025 8.906 -8.218 45 HA GLU 9 HA GLU 9 6.203 8.300 -7.582 46 HB2 GLU 9 1HB GLU 9 8.034 7.873 -9.975 47 HB3 GLU 9 2HB GLU 9 6.448 7.108 -9.898 48 HG2 GLU 9 1HG GLU 9 5.279 9.003 -10.185 49 HG3 GLU 9 2HG GLU 9 6.452 10.045 -9.383 50 H TYR 10 H TYR 10 5.582 6.467 -6.572 51 HA TYR 10 HA TYR 10 5.717 4.469 -5.475 52 HD1 TYR 10 HD1 TYR 10 5.300 5.415 -9.201 53 HD2 TYR 10 HD2 TYR 10 3.715 2.064 -6.962 54 HE1 TYR 10 HE1 TYR 10 3.099 5.807 -10.200 55 HE2 TYR 10 HE2 TYR 10 1.464 2.511 -7.942 56 HH TYR 10 HH TYR 10 0.899 5.105 -10.344 57 HB2 TYR 10 1HB TYR 10 6.791 3.470 -8.117 58 HB3 TYR 10 2HB TYR 10 6.021 2.530 -6.871 59 HA PRO 11 HA PRO 11 10.301 4.822 -4.542 60 HB2 PRO 11 1HB PRO 11 10.023 5.526 -1.895 61 HB3 PRO 11 2HB PRO 11 9.975 6.726 -3.242 62 HG2 PRO 11 1HG PRO 11 7.618 5.397 -1.874 63 HG3 PRO 11 2HG PRO 11 7.926 7.144 -2.107 64 HD2 PRO 11 1HD PRO 11 6.384 5.822 -3.853 65 HD3 PRO 11 2HD PRO 11 7.608 6.939 -4.487 66 H ASN 12 H ASN 12 11.504 3.091 -3.504 67 HA ASN 12 HA ASN 12 9.845 0.838 -2.590 68 HB2 ASN 12 1HB ASN 12 12.883 1.177 -2.728 69 HB3 ASN 12 2HB ASN 12 12.032 -0.321 -2.351 70 HD21 ASN 12 1HD2 ASN 12 10.079 -0.638 -4.218 71 HD22 ASN 12 2HD2 ASN 12 10.804 -0.604 -5.822 72 H ARG 13 H ARG 13 9.724 0.015 -0.512 73 HA ARG 13 HA ARG 13 10.649 1.832 1.690 74 HE ARG 13 HE ARG 13 8.404 4.193 3.155 75 HB2 ARG 13 1HB ARG 13 8.058 0.255 1.588 76 HB3 ARG 13 2HB ARG 13 8.584 1.361 2.854 77 HG2 ARG 13 1HG ARG 13 7.685 2.049 0.064 78 HG3 ARG 13 2HG ARG 13 6.928 2.444 1.602 79 HD2 ARG 13 1HD ARG 13 9.401 3.679 0.370 80 HD3 ARG 13 2HD ARG 13 7.893 4.452 0.765 81 HH11 ARG 13 1HH1 ARG 13 11.211 3.951 1.016 82 HH12 ARG 13 2HH1 ARG 13 12.273 4.564 2.253 83 HH21 ARG 13 1HH2 ARG 13 9.867 4.804 4.684 84 HH22 ARG 13 2HH2 ARG 13 11.547 4.971 4.274 85 H GLY 14 H GLY 14 12.126 -0.422 0.761 86 HA2 GLY 14 1HA GLY 14 13.339 -2.200 1.647 87 HA3 GLY 14 2HA GLY 14 13.017 -1.480 3.231 88 H ASN 15 H ASN 15 10.689 -2.762 0.950 89 HA ASN 15 HA ASN 15 9.354 -4.527 0.793 90 HB2 ASN 15 1HB ASN 15 10.581 -5.784 3.275 91 HB3 ASN 15 2HB ASN 15 9.560 -6.528 2.081 92 HD21 ASN 15 1HD2 ASN 15 11.327 -8.105 2.241 93 HD22 ASN 15 2HD2 ASN 15 12.665 -7.892 1.098 94 H THR 16 H THR 16 8.933 -2.134 2.941 95 HA THR 16 HA THR 16 6.916 -3.185 4.739 96 HB THR 16 HB THR 16 7.494 -0.342 3.824 97 HG1 THR 16 HG1 THR 16 9.222 -1.003 4.881 98 HG21 THR 16 3HG2 THR 16 5.319 -0.292 4.795 99 HG22 THR 16 1HG2 THR 16 6.445 0.293 6.017 100 HG23 THR 16 2HG2 THR 16 5.817 -1.365 6.135 101 H CYS 17 H CYS 17 4.866 -3.878 4.144 102 HA CYS 17 HA CYS 17 3.499 -2.523 1.862 103 HG CYS 17 HG CYS 17 5.743 -4.992 1.798 104 HB2 CYS 17 1HB CYS 17 3.347 -5.429 2.744 105 HB3 CYS 17 2HB CYS 17 2.457 -4.705 1.401 106 H LEU 18 H LEU 18 1.987 -1.226 2.715 107 HA LEU 18 HA LEU 18 0.341 -2.064 5.084 108 HG LEU 18 HG LEU 18 0.991 -0.392 7.088 109 HB2 LEU 18 1HB LEU 18 1.694 0.502 4.278 110 HB3 LEU 18 2HB LEU 18 0.175 0.608 5.129 111 HD11 LEU 18 1HD1 LEU 18 2.335 -2.212 6.433 112 HD12 LEU 18 2HD1 LEU 18 3.426 -1.119 7.289 113 HD13 LEU 18 3HD1 LEU 18 3.437 -1.172 5.506 114 HD21 LEU 18 3HD2 LEU 18 3.183 1.421 5.996 115 HD22 LEU 18 1HD2 LEU 18 2.798 1.134 7.707 116 HD23 LEU 18 2HD2 LEU 18 1.632 1.971 6.671 117 H GLU 19 H GLU 19 -1.750 -1.763 5.143 118 HA GLU 19 HA GLU 19 -3.207 -1.163 2.643 119 HB2 GLU 19 1HB GLU 19 -4.989 -2.291 3.573 120 HB3 GLU 19 2HB GLU 19 -3.646 -3.225 4.108 121 HG2 GLU 19 1HG GLU 19 -5.352 -1.277 5.671 122 HG3 GLU 19 2HG GLU 19 -5.288 -3.019 5.875 123 H ASN 20 H ASN 20 -2.148 0.663 5.268 124 HA ASN 20 HA ASN 20 -4.224 2.740 4.778 125 HB2 ASN 20 1HB ASN 20 -3.629 1.416 7.443 126 HB3 ASN 20 2HB ASN 20 -4.157 3.084 7.392 127 HD21 ASN 20 1HD2 ASN 20 -5.315 0.019 7.739 128 HD22 ASN 20 2HD2 ASN 20 -6.986 0.353 7.267 129 H GLY 21 H GLY 21 -3.637 4.859 5.360 130 HA2 GLY 21 1HA GLY 21 -2.118 6.345 6.597 131 HA3 GLY 21 2HA GLY 21 -0.759 5.391 6.018 132 H SER 22 H SER 22 -0.072 7.589 5.504 133 HA SER 22 HA SER 22 -0.276 8.172 2.651 134 HG SER 22 HG SER 22 -2.748 8.892 3.712 135 HB2 SER 22 1HB SER 22 -1.105 10.268 4.715 136 HB3 SER 22 2HB SER 22 -0.596 10.634 3.067 137 H PHE 23 H PHE 23 1.870 8.149 2.199 138 HA PHE 23 HA PHE 23 3.810 8.487 4.253 139 HD1 PHE 23 HD1 PHE 23 5.777 7.963 4.706 140 HD2 PHE 23 HD2 PHE 23 6.276 7.242 0.481 141 HE1 PHE 23 HE1 PHE 23 8.195 7.654 5.040 142 HE2 PHE 23 HE2 PHE 23 8.715 6.967 0.820 143 HZ PHE 23 HZ PHE 23 9.697 7.301 3.096 144 HB2 PHE 23 1HB PHE 23 3.887 6.870 2.416 145 HB3 PHE 23 2HB PHE 23 4.204 8.152 1.272 146 H LEU 24 H LEU 24 3.441 10.593 5.000 147 HA LEU 24 HA LEU 24 3.709 12.961 3.653 148 HG LEU 24 HG LEU 24 2.430 11.617 6.463 149 HB2 LEU 24 1HB LEU 24 4.688 12.460 6.483 150 HB3 LEU 24 2HB LEU 24 4.199 14.000 5.795 151 HD11 LEU 24 1HD1 LEU 24 1.348 13.194 7.987 152 HD12 LEU 24 2HD1 LEU 24 2.437 14.494 7.453 153 HD13 LEU 24 3HD1 LEU 24 3.084 13.089 8.330 154 HD21 LEU 24 3HD2 LEU 24 1.603 14.195 5.060 155 HD22 LEU 24 1HD2 LEU 24 0.493 12.973 5.729 156 HD23 LEU 24 2HD2 LEU 24 1.535 12.552 4.378 157 H LEU 25 H LEU 25 6.441 10.956 4.580 158 HA LEU 25 HA LEU 25 8.474 12.995 4.176 159 HG LEU 25 HG LEU 25 8.038 10.782 6.433 160 HB2 LEU 25 1HB LEU 25 8.644 9.969 4.201 161 HB3 LEU 25 2HB LEU 25 10.036 11.012 4.140 162 HD11 LEU 25 1HD1 LEU 25 11.013 10.140 6.256 163 HD12 LEU 25 2HD1 LEU 25 9.697 8.948 6.240 164 HD13 LEU 25 3HD1 LEU 25 9.971 9.934 7.682 165 HD21 LEU 25 3HD2 LEU 25 10.455 12.625 6.168 166 HD22 LEU 25 1HD2 LEU 25 9.584 12.299 7.683 167 HD23 LEU 25 2HD2 LEU 25 8.753 13.116 6.361 168 H ASN 26 H ASN 26 6.625 11.118 1.917 169 HA ASN 26 HA ASN 26 8.527 11.794 -0.328 170 HB2 ASN 26 1HB ASN 26 7.768 9.410 -0.042 171 HB3 ASN 26 2HB ASN 26 6.107 9.921 -0.277 172 HD21 ASN 26 1HD2 ASN 26 5.862 8.695 -2.287 173 HD22 ASN 26 2HD2 ASN 26 6.749 9.199 -3.735 174 H PHE 27 H PHE 27 5.232 12.277 0.981 175 HA PHE 27 HA PHE 27 4.284 13.825 -1.258 176 HD1 PHE 27 HD1 PHE 27 2.118 14.388 -1.889 177 HD2 PHE 27 HD2 PHE 27 2.004 15.718 2.201 178 HE1 PHE 27 HE1 PHE 27 0.298 16.026 -2.481 179 HE2 PHE 27 HE2 PHE 27 0.220 17.351 1.603 180 HZ PHE 27 HZ PHE 27 -0.651 17.464 -0.710 181 HB2 PHE 27 1HB PHE 27 2.772 12.878 0.427 182 HB3 PHE 27 2HB PHE 27 3.427 13.948 1.648 183 H THR 28 H THR 28 5.287 15.593 -1.972 184 HA THR 28 HA THR 28 6.728 17.429 -0.105 185 HB THR 28 HB THR 28 7.478 18.530 -2.276 186 HG1 THR 28 HG1 THR 28 5.979 17.729 -3.730 187 HG21 THR 28 3HG2 THR 28 8.109 15.603 -1.786 188 HG22 THR 28 1HG2 THR 28 8.921 16.999 -1.050 189 HG23 THR 28 2HG2 THR 28 9.079 16.702 -2.792 190 H GLY 29 H GLY 29 3.642 17.116 -0.865 191 HA2 GLY 29 1HA GLY 29 1.925 18.641 -0.361 192 HA3 GLY 29 2HA GLY 29 2.966 20.012 -0.684 193 H CYS 30 H CYS 30 0.352 19.469 -1.777 194 HA CYS 30 HA CYS 30 0.209 18.333 -4.288 195 HB2 CYS 30 1HB CYS 30 -1.610 19.264 -2.671 196 HB3 CYS 30 2HB CYS 30 -1.335 20.804 -3.439 197 H ALA 31 H ALA 31 -0.434 19.440 -6.232 198 HA ALA 31 HA ALA 31 1.109 21.912 -6.819 199 HB1 ALA 31 3HB ALA 31 2.119 21.209 -8.749 200 HB2 ALA 31 1HB ALA 31 2.264 19.759 -7.711 201 HB3 ALA 31 2HB ALA 31 1.009 19.866 -8.987 202 H VAL 32 H VAL 32 -1.928 20.311 -6.958 203 HA VAL 32 HA VAL 32 -2.982 22.000 -9.091 204 HB VAL 32 HB VAL 32 -4.301 20.200 -7.025 205 HG11 VAL 32 1HG1 VAL 32 -5.876 22.069 -7.277 206 HG12 VAL 32 2HG1 VAL 32 -5.792 21.925 -9.049 207 HG13 VAL 32 3HG1 VAL 32 -6.491 20.615 -8.056 208 HG21 VAL 32 3HG2 VAL 32 -4.339 20.173 -10.078 209 HG22 VAL 32 1HG2 VAL 32 -3.350 19.125 -9.042 210 HG23 VAL 32 2HG2 VAL 32 -5.109 18.983 -8.998 211 H CYS 33 H CYS 33 -2.694 22.116 -5.567 212 HA CYS 33 HA CYS 33 -3.529 24.982 -5.568 213 HB2 CYS 33 1HB CYS 33 -4.576 24.596 -3.462 214 HB3 CYS 33 2HB CYS 33 -5.240 23.451 -4.640 215 H SER 34 H SER 34 -1.091 22.743 -4.557 216 HA SER 34 HA SER 34 0.999 23.089 -3.736 217 HG SER 34 HG SER 34 2.543 24.980 -2.548 218 HB2 SER 34 1HB SER 34 0.746 25.443 -4.703 219 HB3 SER 34 2HB SER 34 0.521 25.960 -3.023 220 H LYS 35 H LYS 35 -1.498 22.528 -1.882 221 HA LYS 35 HA LYS 35 -0.481 23.388 0.772 222 HB2 LYS 35 1HB LYS 35 -2.810 21.702 -0.189 223 HB3 LYS 35 2HB LYS 35 -2.378 21.797 1.507 224 HG2 LYS 35 1HG LYS 35 -2.458 24.500 0.399 225 HG3 LYS 35 2HG LYS 35 -3.954 23.645 0.025 226 HD2 LYS 35 1HD LYS 35 -4.338 23.117 2.342 227 HD3 LYS 35 2HD LYS 35 -2.743 23.777 2.800 228 HE2 LYS 35 1HE LYS 35 -3.483 26.018 1.923 229 HE3 LYS 35 2HE LYS 35 -5.082 25.340 1.592 230 HZ1 LYS 35 3HZ LYS 35 -5.303 24.893 3.984 231 HZ2 LYS 35 1HZ LYS 35 -5.026 26.483 3.734 232 HZ3 LYS 35 2HZ LYS 35 -3.824 25.526 4.281 233 H ARG 36 H ARG 36 0.343 22.098 2.391 234 HA ARG 36 HA ARG 36 1.181 19.304 1.727 235 HE ARG 36 HE ARG 36 5.327 17.285 2.185 236 HB2 ARG 36 1HB ARG 36 3.069 20.926 1.639 237 HB3 ARG 36 2HB ARG 36 2.865 21.176 3.382 238 HG2 ARG 36 1HG ARG 36 3.425 18.890 3.871 239 HG3 ARG 36 2HG ARG 36 3.157 18.385 2.188 240 HD2 ARG 36 1HD ARG 36 5.086 19.727 1.493 241 HD3 ARG 36 2HD ARG 36 5.409 20.136 3.189 242 HH11 ARG 36 1HH1 ARG 36 7.216 19.697 3.896 243 HH12 ARG 36 2HH1 ARG 36 8.359 18.503 4.446 244 HH21 ARG 36 1HH2 ARG 36 6.701 15.847 2.986 245 HH22 ARG 36 2HH2 ARG 36 8.085 16.368 3.914 246 H ASP 37 H ASP 37 1.451 17.927 3.685 247 HA ASP 37 HA ASP 37 0.418 16.810 5.322 248 HB2 ASP 37 1HB ASP 37 0.427 17.712 7.493 249 HB3 ASP 37 2HB ASP 37 1.893 18.122 6.628 250 H PHE 38 H PHE 38 -1.272 17.903 3.433 251 HA PHE 38 HA PHE 38 -3.949 17.959 4.739 252 HD1 PHE 38 HD1 PHE 38 -2.389 20.314 5.442 253 HD2 PHE 38 HD2 PHE 38 -5.890 20.834 2.987 254 HE1 PHE 38 HE1 PHE 38 -3.129 22.184 6.883 255 HE2 PHE 38 HE2 PHE 38 -6.625 22.712 4.413 256 HZ PHE 38 HZ PHE 38 -5.251 23.385 6.392 257 HB2 PHE 38 1HB PHE 38 -2.773 19.660 2.589 258 HB3 PHE 38 2HB PHE 38 -4.435 19.173 2.414 259 H MET 39 H MET 39 -4.516 15.872 4.553 260 HA MET 39 HA MET 39 -5.352 15.000 1.949 261 HB2 MET 39 1HB MET 39 -4.191 12.711 2.093 262 HB3 MET 39 2HB MET 39 -3.317 14.064 1.454 263 HG2 MET 39 1HG MET 39 -2.957 13.796 4.382 264 HG3 MET 39 2HG MET 39 -2.546 12.325 3.525 265 HE1 MET 39 3HE MET 39 -1.143 13.665 0.652 266 HE2 MET 39 1HE MET 39 0.427 13.178 1.320 267 HE3 MET 39 2HE MET 39 -0.997 12.152 1.568 268 H LEU 40 H LEU 40 -6.665 13.363 1.809 269 HA LEU 40 HA LEU 40 -7.964 12.050 4.156 270 HG LEU 40 HG LEU 40 -10.477 14.714 3.232 271 HB2 LEU 40 1HB LEU 40 -9.068 13.642 1.813 272 HB3 LEU 40 2HB LEU 40 -9.977 12.302 2.383 273 HD11 LEU 40 1HD1 LEU 40 -11.713 12.653 3.878 274 HD12 LEU 40 2HD1 LEU 40 -11.491 13.712 5.273 275 HD13 LEU 40 3HD1 LEU 40 -10.462 12.274 5.083 276 HD21 LEU 40 3HD2 LEU 40 -8.325 15.178 4.247 277 HD22 LEU 40 1HD2 LEU 40 -8.541 13.814 5.372 278 HD23 LEU 40 2HD2 LEU 40 -9.642 15.195 5.441 279 H ILE 41 H ILE 41 -9.220 10.126 3.401 280 HA ILE 41 HA ILE 41 -8.154 8.749 0.982 281 HB ILE 41 HB ILE 41 -8.508 7.671 3.799 282 HG12 ILE 41 1HG1 ILE 41 -6.057 7.593 1.972 283 HG13 ILE 41 2HG1 ILE 41 -6.318 8.796 3.233 284 HG21 ILE 41 1HG2 ILE 41 -9.475 5.992 2.327 285 HG22 ILE 41 2HG2 ILE 41 -8.134 6.139 1.179 286 HG23 ILE 41 3HG2 ILE 41 -7.885 5.409 2.778 287 HD11 ILE 41 3HD1 ILE 41 -5.866 5.827 3.655 288 HD12 ILE 41 1HD1 ILE 41 -4.866 7.189 4.179 289 HD13 ILE 41 2HD1 ILE 41 -6.443 6.927 4.933 290 H THR 42 H THR 42 -9.745 7.838 -0.215 291 HA THR 42 HA THR 42 -12.407 7.340 0.930 292 HB THR 42 HB THR 42 -12.215 9.807 0.048 293 HG1 THR 42 HG1 THR 42 -14.409 9.638 -0.391 294 HG21 THR 42 3HG2 THR 42 -11.502 8.843 -2.335 295 HG22 THR 42 1HG2 THR 42 -12.615 10.223 -2.199 296 HG23 THR 42 2HG2 THR 42 -13.243 8.601 -2.526 297 H ASN 43 H ASN 43 -13.905 6.484 -0.841 298 HA ASN 43 HA ASN 43 -14.476 4.739 -2.096 299 HB2 ASN 43 1HB ASN 43 -14.197 5.237 -4.223 300 HB3 ASN 43 2HB ASN 43 -13.196 6.571 -3.665 301 HD21 ASN 43 1HD2 ASN 43 -10.763 5.646 -3.180 302 HD22 ASN 43 2HD2 ASN 43 -10.105 4.919 -4.655 303 H LYS 44 H LYS 44 -12.285 4.227 -0.085 304 HA LYS 44 HA LYS 44 -10.559 2.183 -0.752 305 HB2 LYS 44 1HB LYS 44 -10.937 3.536 1.474 306 HB3 LYS 44 2HB LYS 44 -12.024 2.205 1.885 307 HG2 LYS 44 1HG LYS 44 -9.996 0.650 1.308 308 HG3 LYS 44 2HG LYS 44 -9.047 2.142 1.411 309 HD2 LYS 44 1HD LYS 44 -9.934 2.493 3.747 310 HD3 LYS 44 2HD LYS 44 -10.716 0.906 3.617 311 HE2 LYS 44 1HE LYS 44 -8.663 0.465 4.718 312 HE3 LYS 44 2HE LYS 44 -8.428 -0.065 3.051 313 HZ1 LYS 44 3HZ LYS 44 -7.388 2.395 4.337 314 HZ2 LYS 44 1HZ LYS 44 -7.363 2.205 2.691 315 HZ3 LYS 44 2HZ LYS 44 -6.529 1.198 3.667 316 H SER 45 H SER 45 -10.874 0.392 -1.758 317 HA SER 45 HA SER 45 -13.262 -1.319 -1.215 318 HG SER 45 HG SER 45 -13.075 0.486 -3.470 319 HB2 SER 45 1HB SER 45 -11.401 -1.083 -3.621 320 HB3 SER 45 2HB SER 45 -12.631 -2.337 -3.447 321 H LEU 46 H LEU 46 -13.008 -3.557 -1.153 322 HA LEU 46 HA LEU 46 -10.336 -4.664 -0.630 323 HG LEU 46 HG LEU 46 -10.407 -6.679 1.037 324 HB2 LEU 46 1HB LEU 46 -10.992 -4.064 1.548 325 HB3 LEU 46 2HB LEU 46 -12.632 -4.651 1.347 326 HD11 LEU 46 1HD1 LEU 46 -10.243 -6.998 3.477 327 HD12 LEU 46 2HD1 LEU 46 -11.304 -5.595 3.746 328 HD13 LEU 46 3HD1 LEU 46 -9.695 -5.380 3.025 329 HD21 LEU 46 3HD2 LEU 46 -11.964 -8.137 2.264 330 HD22 LEU 46 1HD2 LEU 46 -12.753 -7.442 0.852 331 HD23 LEU 46 2HD2 LEU 46 -13.098 -6.785 2.465 332 H LYS 47 H LYS 47 -10.088 -6.701 -1.291 333 HA LYS 47 HA LYS 47 -12.394 -8.241 -2.344 334 HB2 LYS 47 1HB LYS 47 -10.595 -6.837 -3.941 335 HB3 LYS 47 2HB LYS 47 -9.860 -8.426 -3.869 336 HG2 LYS 47 1HG LYS 47 -11.828 -9.495 -4.717 337 HG3 LYS 47 2HG LYS 47 -12.747 -7.973 -4.665 338 HD2 LYS 47 1HD LYS 47 -11.263 -6.968 -6.331 339 HD3 LYS 47 2HD LYS 47 -10.261 -8.425 -6.388 340 HE2 LYS 47 1HE LYS 47 -13.242 -8.415 -7.042 341 HE3 LYS 47 2HE LYS 47 -11.999 -8.099 -8.257 342 HZ1 LYS 47 3HZ LYS 47 -12.631 -10.452 -8.210 343 HZ2 LYS 47 1HZ LYS 47 -12.142 -10.607 -6.651 344 HZ3 LYS 47 2HZ LYS 47 -11.053 -10.277 -7.805 345 H GLU 48 H GLU 48 -12.152 -10.490 -2.359 346 HA GLU 48 HA GLU 48 -9.668 -11.589 -1.128 347 HB2 GLU 48 1HB GLU 48 -12.437 -12.145 -0.009 348 HB3 GLU 48 2HB GLU 48 -10.943 -12.940 0.485 349 HG2 GLU 48 1HG GLU 48 -10.069 -10.764 1.310 350 HG3 GLU 48 2HG GLU 48 -11.598 -10.001 0.869 351 H GLU 49 H GLU 49 -8.982 -13.124 -2.433 352 HA GLU 49 HA GLU 49 -10.895 -15.130 -3.557 353 HB2 GLU 49 1HB GLU 49 -8.514 -13.885 -4.952 354 HB3 GLU 49 2HB GLU 49 -9.111 -15.501 -5.328 355 HG2 GLU 49 1HG GLU 49 -10.142 -14.166 -6.912 356 HG3 GLU 49 2HG GLU 49 -11.394 -14.558 -5.748 357 H ASP 50 H ASP 50 -10.647 -17.063 -2.774 358 HA ASP 50 HA ASP 50 -9.819 -18.883 -1.668 359 HB2 ASP 50 1HB ASP 50 -9.160 -18.877 -4.157 360 HB3 ASP 50 2HB ASP 50 -7.528 -18.470 -3.624 361 H GLY 51 H GLY 51 -8.675 -16.413 -0.386 362 HA2 GLY 51 1HA GLY 51 -7.550 -16.703 1.846 363 HA3 GLY 51 2HA GLY 51 -6.271 -17.599 1.019 364 H GLU 52 H GLU 52 -6.626 -15.548 -1.310 365 HA GLU 52 HA GLU 52 -4.612 -13.640 -0.416 366 HB2 GLU 52 1HB GLU 52 -4.564 -14.521 -2.719 367 HB3 GLU 52 2HB GLU 52 -6.204 -13.904 -2.994 368 HG2 GLU 52 1HG GLU 52 -5.368 -11.562 -2.713 369 HG3 GLU 52 2HG GLU 52 -3.750 -12.184 -2.548 370 H GLU 53 H GLU 53 -4.952 -11.572 0.194 371 HA GLU 53 HA GLU 53 -7.737 -10.471 0.214 372 HB2 GLU 53 1HB GLU 53 -5.519 -10.030 2.257 373 HB3 GLU 53 2HB GLU 53 -7.083 -9.210 2.223 374 HG2 GLU 53 1HG GLU 53 -8.217 -11.428 2.515 375 HG3 GLU 53 2HG GLU 53 -6.637 -12.198 2.640 376 H ILE 54 H ILE 54 -7.970 -8.594 -0.897 377 HA ILE 54 HA ILE 54 -5.492 -7.100 -1.631 378 HB ILE 54 HB ILE 54 -7.985 -7.383 -3.342 379 HG12 ILE 54 1HG1 ILE 54 -6.053 -8.569 -4.840 380 HG13 ILE 54 2HG1 ILE 54 -5.417 -8.995 -3.258 381 HG21 ILE 54 1HG2 ILE 54 -5.271 -6.116 -3.713 382 HG22 ILE 54 2HG2 ILE 54 -6.431 -6.363 -5.046 383 HG23 ILE 54 3HG2 ILE 54 -6.857 -5.314 -3.699 384 HD11 ILE 54 3HD1 ILE 54 -8.188 -9.667 -4.367 385 HD12 ILE 54 1HD1 ILE 54 -6.841 -10.775 -4.231 386 HD13 ILE 54 2HD1 ILE 54 -7.606 -10.160 -2.758 387 H VAL 55 H VAL 55 -5.547 -4.901 -1.390 388 HA VAL 55 HA VAL 55 -8.107 -3.576 -0.580 389 HB VAL 55 HB VAL 55 -5.371 -3.134 0.691 390 HG11 VAL 55 1HG1 VAL 55 -6.588 -1.727 2.285 391 HG12 VAL 55 2HG1 VAL 55 -6.705 -1.101 0.638 392 HG13 VAL 55 3HG1 VAL 55 -8.097 -1.963 1.354 393 HG21 VAL 55 3HG2 VAL 55 -6.432 -4.047 2.773 394 HG22 VAL 55 1HG2 VAL 55 -7.835 -4.540 1.793 395 HG23 VAL 55 2HG2 VAL 55 -6.231 -5.256 1.505 396 H THR 56 H THR 56 -8.520 -2.046 -2.047 397 HA THR 56 HA THR 56 -6.234 -0.506 -3.205 398 HB THR 56 HB THR 56 -7.267 -0.353 -5.326 399 HG1 THR 56 HG1 THR 56 -9.452 -0.559 -4.807 400 HG21 THR 56 3HG2 THR 56 -5.804 -2.361 -4.727 401 HG22 THR 56 1HG2 THR 56 -6.894 -2.593 -6.107 402 HG23 THR 56 2HG2 THR 56 -7.299 -3.296 -4.532 403 H TYR 57 H TYR 57 -6.321 1.678 -3.124 404 HA TYR 57 HA TYR 57 -8.888 3.068 -2.775 405 HD1 TYR 57 HD1 TYR 57 -6.409 1.034 -0.161 406 HD2 TYR 57 HD2 TYR 57 -6.425 5.346 -0.034 407 HE1 TYR 57 HE1 TYR 57 -4.370 1.005 1.259 408 HE2 TYR 57 HE2 TYR 57 -4.414 5.309 1.431 409 HH TYR 57 HH TYR 57 -2.838 2.255 2.403 410 HB2 TYR 57 1HB TYR 57 -8.427 4.104 -0.693 411 HB3 TYR 57 2HB TYR 57 -8.477 2.371 -0.554 412 H ASP 58 H ASP 58 -8.141 5.522 -2.012 413 HA ASP 58 HA ASP 58 -6.017 6.485 -3.878 414 HB2 ASP 58 1HB ASP 58 -8.969 7.341 -3.705 415 HB3 ASP 58 2HB ASP 58 -7.723 8.289 -4.494 416 H HIS 59 H HIS 59 -5.378 8.662 -3.355 417 HA HIS 59 HA HIS 59 -6.001 9.610 -0.574 418 HD1 HIS 59 HD1 HIS 59 -3.059 8.948 1.315 419 HD2 HIS 59 HD2 HIS 59 -2.753 7.633 -2.671 420 HE1 HIS 59 HE1 HIS 59 -1.597 6.878 1.338 421 HB2 HIS 59 1HB HIS 59 -3.516 10.222 -2.211 422 HB3 HIS 59 2HB HIS 59 -3.836 10.672 -0.553 423 H LEU 60 H LEU 60 -6.613 11.780 -0.359 424 HA LEU 60 HA LEU 60 -6.981 13.400 -2.848 425 HG LEU 60 HG LEU 60 -9.001 12.389 -3.695 426 HB2 LEU 60 1HB LEU 60 -9.048 12.831 -0.682 427 HB3 LEU 60 2HB LEU 60 -9.141 14.167 -1.818 428 HD11 LEU 60 1HD1 LEU 60 -8.520 10.390 -2.217 429 HD12 LEU 60 2HD1 LEU 60 -10.007 10.231 -3.124 430 HD13 LEU 60 3HD1 LEU 60 -10.056 10.674 -1.389 431 HD21 LEU 60 3HD2 LEU 60 -11.435 12.096 -3.622 432 HD22 LEU 60 1HD2 LEU 60 -10.994 13.740 -3.161 433 HD23 LEU 60 2HD2 LEU 60 -11.462 12.579 -1.907 434 H CYS 61 H CYS 61 -6.455 15.487 -2.665 435 HA CYS 61 HA CYS 61 -5.087 16.556 -0.419 436 HB2 CYS 61 1HB CYS 61 -5.032 17.134 -2.927 437 HB3 CYS 61 2HB CYS 61 -6.515 18.041 -2.669 438 H LYS 62 H LYS 62 -5.846 17.329 1.493 439 HA LYS 62 HA LYS 62 -8.669 17.472 2.095 440 HB2 LYS 62 1HB LYS 62 -7.156 16.969 3.855 441 HB3 LYS 62 2HB LYS 62 -6.144 18.346 3.512 442 HG2 LYS 62 1HG LYS 62 -7.220 18.730 5.577 443 HG3 LYS 62 2HG LYS 62 -7.831 19.891 4.410 444 HD2 LYS 62 1HD LYS 62 -9.866 18.385 4.112 445 HD3 LYS 62 2HD LYS 62 -9.216 17.383 5.426 446 HE2 LYS 62 1HE LYS 62 -9.212 19.369 6.930 447 HE3 LYS 62 2HE LYS 62 -9.888 20.353 5.627 448 HZ1 LYS 62 3HZ LYS 62 -11.237 18.007 6.865 449 HZ2 LYS 62 1HZ LYS 62 -11.866 18.924 5.663 450 HZ3 LYS 62 2HZ LYS 62 -11.618 19.567 7.139 451 H ASN 63 H ASN 63 -6.725 19.675 0.348 452 HA ASN 63 HA ASN 63 -8.332 22.058 1.078 453 HB2 ASN 63 1HB ASN 63 -5.961 22.358 1.076 454 HB3 ASN 63 2HB ASN 63 -5.801 21.722 -0.556 455 HD21 ASN 63 1HD2 ASN 63 -5.537 23.329 -2.060 456 HD22 ASN 63 2HD2 ASN 63 -6.310 24.914 -1.931 457 H CYS 64 H CYS 64 -7.106 20.707 -2.081 458 HA CYS 64 HA CYS 64 -9.515 21.751 -3.384 459 HB2 CYS 64 1HB CYS 64 -8.255 21.325 -5.453 460 HB3 CYS 64 2HB CYS 64 -7.447 22.416 -4.334 461 H HIS 65 H HIS 65 -8.764 18.774 -2.036 462 HA HIS 65 HA HIS 65 -9.423 16.633 -2.302 463 HD1 HIS 65 HD1 HIS 65 -12.062 19.649 -1.065 464 HD2 HIS 65 HD2 HIS 65 -11.016 15.660 -0.117 465 HE1 HIS 65 HE1 HIS 65 -12.032 19.496 1.506 466 HE2 HIS 65 HE2 HIS 65 -11.461 17.048 2.071 467 HB2 HIS 65 1HB HIS 65 -12.007 17.940 -3.144 468 HB3 HIS 65 2HB HIS 65 -11.818 16.240 -2.711 469 H HIS 66 H HIS 66 -8.078 17.802 -4.591 470 HA HIS 66 HA HIS 66 -8.735 16.210 -6.938 471 HD1 HIS 66 HD1 HIS 66 -5.895 16.031 -9.089 472 HD2 HIS 66 HD2 HIS 66 -4.436 17.348 -5.357 473 HE1 HIS 66 HE1 HIS 66 -3.377 15.947 -9.225 474 HB2 HIS 66 1HB HIS 66 -7.372 17.857 -7.599 475 HB3 HIS 66 2HB HIS 66 -6.727 18.102 -5.987 476 H VAL 67 H VAL 67 -7.767 14.122 -7.438 477 HA VAL 67 HA VAL 67 -6.941 12.535 -5.137 478 HB VAL 67 HB VAL 67 -7.097 11.809 -8.091 479 HG11 VAL 67 1HG1 VAL 67 -6.622 10.103 -5.608 480 HG12 VAL 67 2HG1 VAL 67 -7.046 9.468 -7.199 481 HG13 VAL 67 3HG1 VAL 67 -5.515 10.316 -6.984 482 HG21 VAL 67 3HG2 VAL 67 -8.952 11.152 -5.754 483 HG22 VAL 67 1HG2 VAL 67 -9.316 12.297 -7.064 484 HG23 VAL 67 2HG2 VAL 67 -9.128 10.579 -7.424 485 H ILE 68 H ILE 68 -5.073 12.895 -4.287 486 HA ILE 68 HA ILE 68 -2.720 13.965 -5.516 487 HB ILE 68 HB ILE 68 -3.313 12.539 -2.922 488 HG12 ILE 68 1HG1 ILE 68 -2.495 15.385 -3.666 489 HG13 ILE 68 2HG1 ILE 68 -4.150 14.862 -3.391 490 HG21 ILE 68 1HG2 ILE 68 -0.963 11.927 -3.438 491 HG22 ILE 68 2HG2 ILE 68 -0.591 13.635 -3.744 492 HG23 ILE 68 3HG2 ILE 68 -1.029 13.070 -2.122 493 HD11 ILE 68 3HD1 ILE 68 -3.643 14.329 -1.058 494 HD12 ILE 68 1HD1 ILE 68 -1.950 14.848 -1.295 495 HD13 ILE 68 2HD1 ILE 68 -3.245 16.020 -1.469 496 H ALA 69 H ALA 69 -3.688 10.615 -4.709 497 HA ALA 69 HA ALA 69 -1.969 9.420 -6.744 498 HB1 ALA 69 3HB ALA 69 -0.633 8.161 -4.948 499 HB2 ALA 69 1HB ALA 69 -0.293 9.904 -5.033 500 HB3 ALA 69 2HB ALA 69 -1.330 9.264 -3.752 501 H ARG 70 H ARG 70 -2.056 7.007 -6.634 502 HA ARG 70 HA ARG 70 -4.567 5.900 -5.426 503 HE ARG 70 HE ARG 70 -7.402 7.363 -8.113 504 HB2 ARG 70 1HB ARG 70 -3.251 5.375 -8.118 505 HB3 ARG 70 2HB ARG 70 -4.140 4.115 -7.266 506 HG2 ARG 70 1HG ARG 70 -5.728 4.976 -8.691 507 HG3 ARG 70 2HG ARG 70 -6.107 5.644 -7.104 508 HD2 ARG 70 1HD ARG 70 -4.928 7.777 -7.821 509 HD3 ARG 70 2HD ARG 70 -4.721 7.055 -9.429 510 HH11 ARG 70 1HH1 ARG 70 -5.463 8.151 -10.944 511 HH12 ARG 70 2HH1 ARG 70 -6.833 8.834 -11.777 512 HH21 ARG 70 1HH2 ARG 70 -9.040 8.183 -9.206 513 HH22 ARG 70 2HH2 ARG 70 -8.837 8.855 -10.805 514 H HIS 71 H HIS 71 -4.408 4.063 -4.344 515 HA HIS 71 HA HIS 71 -1.696 2.915 -3.750 516 HD2 HIS 71 HD2 HIS 71 -2.685 0.512 -1.093 517 HE1 HIS 71 HE1 HIS 71 0.349 2.659 0.999 518 HE2 HIS 71 HE2 HIS 71 -0.811 0.405 0.753 519 HB2 HIS 71 1HB HIS 71 -2.909 4.393 -2.013 520 HB3 HIS 71 2HB HIS 71 -4.060 3.086 -1.849 521 H GLU 72 H GLU 72 -1.506 0.735 -3.764 522 HA GLU 72 HA GLU 72 -3.909 -1.002 -3.594 523 HB2 GLU 72 1HB GLU 72 -3.575 -0.900 -5.940 524 HB3 GLU 72 2HB GLU 72 -1.816 -1.004 -5.802 525 HG2 GLU 72 1HG GLU 72 -1.887 -3.278 -5.096 526 HG3 GLU 72 2HG GLU 72 -3.646 -3.252 -4.875 527 H TYR 73 H TYR 73 -3.592 -2.600 -2.201 528 HA TYR 73 HA TYR 73 -0.845 -3.558 -1.565 529 HD1 TYR 73 HD1 TYR 73 0.308 -4.518 0.717 530 HD2 TYR 73 HD2 TYR 73 -3.853 -4.206 1.800 531 HE1 TYR 73 HE1 TYR 73 0.592 -6.371 2.324 532 HE2 TYR 73 HE2 TYR 73 -3.566 -6.048 3.425 533 HH TYR 73 HH TYR 73 -2.092 -7.447 4.467 534 HB2 TYR 73 1HB TYR 73 -1.288 -2.278 0.357 535 HB3 TYR 73 2HB TYR 73 -3.000 -2.645 0.334 536 H THR 74 H THR 74 -0.756 -5.698 -1.938 537 HA THR 74 HA THR 74 -3.308 -7.292 -1.809 538 HB THR 74 HB THR 74 -3.046 -8.328 -3.769 539 HG1 THR 74 HG1 THR 74 -0.293 -7.638 -3.826 540 HG21 THR 74 3HG2 THR 74 -2.677 -6.820 -5.577 541 HG22 THR 74 1HG2 THR 74 -1.543 -5.829 -4.638 542 HG23 THR 74 2HG2 THR 74 -3.264 -5.799 -4.259 543 H PHE 75 H PHE 75 -3.176 -9.136 -0.714 544 HA PHE 75 HA PHE 75 -0.478 -10.075 0.222 545 HD1 PHE 75 HD1 PHE 75 0.393 -10.641 2.752 546 HD2 PHE 75 HD2 PHE 75 -3.808 -11.604 2.706 547 HE1 PHE 75 HE1 PHE 75 0.831 -12.563 4.185 548 HE2 PHE 75 HE2 PHE 75 -3.357 -13.599 4.104 549 HZ PHE 75 HZ PHE 75 -1.015 -14.120 4.807 550 HB2 PHE 75 1HB PHE 75 -1.340 -8.964 2.038 551 HB3 PHE 75 2HB PHE 75 -2.987 -9.476 1.791 552 H SER 76 H SER 76 -0.157 -12.253 -0.129 553 HA SER 76 HA SER 76 -2.468 -14.088 -0.716 554 HG SER 76 HG SER 76 -1.466 -13.971 -4.004 555 HB2 SER 76 1HB SER 76 -0.017 -13.491 -2.321 556 HB3 SER 76 2HB SER 76 -0.557 -15.167 -2.274 557 H ILE 77 H ILE 77 -2.332 -16.182 0.010 558 HA ILE 77 HA ILE 77 0.137 -16.934 1.581 559 HB ILE 77 HB ILE 77 -2.675 -17.978 2.000 560 HG12 ILE 77 1HG1 ILE 77 -1.043 -15.825 3.309 561 HG13 ILE 77 2HG1 ILE 77 -2.732 -15.802 2.764 562 HG21 ILE 77 1HG2 ILE 77 -0.107 -18.471 3.572 563 HG22 ILE 77 2HG2 ILE 77 -1.702 -19.184 3.896 564 HG23 ILE 77 3HG2 ILE 77 -0.827 -19.639 2.440 565 HD11 ILE 77 3HD1 ILE 77 -3.279 -17.366 4.675 566 HD12 ILE 77 1HD1 ILE 77 -1.603 -17.122 5.254 567 HD13 ILE 77 2HD1 ILE 77 -2.716 -15.752 5.157 568 H MET 78 H MET 78 1.387 -18.420 0.722 569 HA MET 78 HA MET 78 0.226 -20.411 -1.156 570 HB2 MET 78 1HB MET 78 2.449 -20.421 -2.323 571 HB3 MET 78 2HB MET 78 1.441 -18.998 -2.578 572 HG2 MET 78 1HG MET 78 2.820 -17.607 -1.283 573 HG3 MET 78 2HG MET 78 3.594 -18.949 -0.455 574 HE1 MET 78 3HE MET 78 3.287 -19.307 -4.402 575 HE2 MET 78 1HE MET 78 3.093 -17.558 -4.127 576 HE3 MET 78 2HE MET 78 4.557 -18.185 -4.925 577 H ASP 79 H ASP 79 0.234 -22.345 -0.409 578 HA ASP 79 HA ASP 79 0.664 -24.264 0.659 579 HB2 ASP 79 1HB ASP 79 2.311 -24.141 -1.213 580 HB3 ASP 79 2HB ASP 79 3.527 -23.589 -0.058 581 H GLU 80 H GLU 80 3.582 -22.507 1.764 582 HA GLU 80 HA GLU 80 2.888 -22.995 4.627 583 HB2 GLU 80 1HB GLU 80 5.718 -23.295 3.598 584 HB3 GLU 80 2HB GLU 80 5.072 -23.717 5.180 585 HG2 GLU 80 1HG GLU 80 3.692 -25.513 3.957 586 HG3 GLU 80 2HG GLU 80 4.691 -25.135 2.537 587 H PHE 81 H PHE 81 3.413 -20.647 2.360 588 HA PHE 81 HA PHE 81 4.852 -18.897 4.361 589 HD1 PHE 81 HD1 PHE 81 7.023 -20.684 3.779 590 HD2 PHE 81 HD2 PHE 81 5.803 -19.663 -0.206 591 HE1 PHE 81 HE1 PHE 81 8.303 -22.624 2.890 592 HE2 PHE 81 HE2 PHE 81 7.007 -21.612 -1.107 593 HZ PHE 81 HZ PHE 81 8.297 -23.104 0.448 594 HB2 PHE 81 1HB PHE 81 5.181 -18.271 1.445 595 HB3 PHE 81 2HB PHE 81 6.281 -18.107 2.753 596 H GLN 82 H GLN 82 4.614 -16.604 3.746 597 HA GLN 82 HA GLN 82 1.923 -15.890 2.640 598 HB2 GLN 82 1HB GLN 82 3.221 -14.094 4.610 599 HB3 GLN 82 2HB GLN 82 1.506 -14.457 4.302 600 HG2 GLN 82 1HG GLN 82 1.696 -16.537 5.519 601 HG3 GLN 82 2HG GLN 82 3.383 -16.122 5.942 602 HE21 GLN 82 1HE2 GLN 82 0.311 -16.032 7.209 603 HE22 GLN 82 2HE2 GLN 82 0.537 -14.658 8.287 604 H GLU 83 H GLU 83 1.846 -14.140 1.342 605 HA GLU 83 HA GLU 83 4.403 -12.848 0.481 606 HB2 GLU 83 1HB GLU 83 2.060 -13.957 -1.107 607 HB3 GLU 83 2HB GLU 83 2.920 -12.558 -1.715 608 HG2 GLU 83 1HG GLU 83 5.035 -13.775 -1.667 609 HG3 GLU 83 2HG GLU 83 4.180 -15.252 -1.151 610 H TYR 84 H TYR 84 4.407 -10.750 0.607 611 HA TYR 84 HA TYR 84 1.850 -9.186 0.890 612 HD1 TYR 84 HD1 TYR 84 1.287 -7.980 3.564 613 HD2 TYR 84 HD2 TYR 84 4.449 -10.912 3.407 614 HE1 TYR 84 HE1 TYR 84 0.394 -9.053 5.613 615 HE2 TYR 84 HE2 TYR 84 3.499 -12.050 5.410 616 HH TYR 84 HH TYR 84 1.901 -11.995 7.038 617 HB2 TYR 84 1HB TYR 84 4.600 -8.752 2.109 618 HB3 TYR 84 2HB TYR 84 3.287 -7.598 2.166 619 H THR 85 H THR 85 1.576 -7.654 -0.689 620 HA THR 85 HA THR 85 3.995 -6.462 -1.913 621 HB THR 85 HB THR 85 3.525 -6.858 -4.083 622 HG1 THR 85 HG1 THR 85 1.505 -7.388 -4.897 623 HG21 THR 85 3HG2 THR 85 2.150 -9.341 -2.936 624 HG22 THR 85 1HG2 THR 85 3.905 -9.137 -3.077 625 HG23 THR 85 2HG2 THR 85 2.912 -9.179 -4.534 626 H MET 86 H MET 86 3.787 -4.367 -2.415 627 HA MET 86 HA MET 86 1.158 -2.971 -2.209 628 HB2 MET 86 1HB MET 86 2.113 -2.792 -0.044 629 HB3 MET 86 2HB MET 86 3.701 -2.313 -0.681 630 HG2 MET 86 1HG MET 86 2.610 -0.241 -1.580 631 HG3 MET 86 2HG MET 86 1.091 -0.768 -0.848 632 HE1 MET 86 3HE MET 86 4.889 -0.324 -0.042 633 HE2 MET 86 1HE MET 86 4.334 1.326 -0.370 634 HE3 MET 86 2HE MET 86 4.852 0.875 1.271 635 H LEU 87 H LEU 87 0.963 -1.256 -3.428 636 HA LEU 87 HA LEU 87 3.160 -0.147 -5.099 637 HG LEU 87 HG LEU 87 2.009 0.562 -7.438 638 HB2 LEU 87 1HB LEU 87 2.170 -2.196 -6.286 639 HB3 LEU 87 2HB LEU 87 0.638 -1.352 -6.292 640 HD11 LEU 87 1HD1 LEU 87 3.809 -0.244 -8.864 641 HD12 LEU 87 2HD1 LEU 87 3.594 -1.901 -8.234 642 HD13 LEU 87 3HD1 LEU 87 4.165 -0.611 -7.164 643 HD21 LEU 87 3HD2 LEU 87 1.459 -0.351 -9.655 644 HD22 LEU 87 1HD2 LEU 87 0.135 -0.612 -8.506 645 HD23 LEU 87 2HD2 LEU 87 1.209 -1.963 -8.934 646 H CYS 88 H CYS 88 2.876 1.907 -4.430 647 HA CYS 88 HA CYS 88 0.364 3.337 -5.028 648 HB2 CYS 88 1HB CYS 88 0.283 2.866 -2.625 649 HB3 CYS 88 2HB CYS 88 1.917 3.421 -2.427 650 H LEU 89 H LEU 89 0.747 5.301 -5.921 651 HA LEU 89 HA LEU 89 3.320 6.075 -6.930 652 HG LEU 89 HG LEU 89 2.375 9.256 -6.809 653 HB2 LEU 89 1HB LEU 89 1.312 6.709 -8.093 654 HB3 LEU 89 2HB LEU 89 0.644 7.483 -6.664 655 HD11 LEU 89 1HD1 LEU 89 3.704 9.550 -8.775 656 HD12 LEU 89 2HD1 LEU 89 3.070 8.055 -9.505 657 HD13 LEU 89 3HD1 LEU 89 4.101 7.967 -8.065 658 HD21 LEU 89 3HD2 LEU 89 1.541 10.380 -8.850 659 HD22 LEU 89 1HD2 LEU 89 0.216 9.688 -7.893 660 HD23 LEU 89 2HD2 LEU 89 0.785 8.869 -9.374 661 H LEU 90 H LEU 90 1.631 6.915 -3.943 662 HA LEU 90 HA LEU 90 3.699 8.940 -3.205 663 HG LEU 90 HG LEU 90 2.417 8.682 -0.151 664 HB2 LEU 90 1HB LEU 90 1.402 9.636 -2.886 665 HB3 LEU 90 2HB LEU 90 0.981 8.131 -2.096 666 HD11 LEU 90 1HD1 LEU 90 2.872 11.378 -1.460 667 HD12 LEU 90 2HD1 LEU 90 4.093 10.081 -1.374 668 HD13 LEU 90 3HD1 LEU 90 3.461 10.781 0.102 669 HD21 LEU 90 3HD2 LEU 90 0.479 10.899 -0.893 670 HD22 LEU 90 1HD2 LEU 90 1.083 10.515 0.742 671 HD23 LEU 90 2HD2 LEU 90 0.076 9.344 -0.129 672 H CYS 91 H CYS 91 1.934 6.239 -1.583 673 HA CYS 91 HA CYS 91 3.771 6.127 0.495 674 HB2 CYS 91 1HB CYS 91 1.742 4.101 -0.462 675 HB3 CYS 91 2HB CYS 91 2.526 4.018 1.108 676 H GLY 92 H GLY 92 3.691 4.212 -2.488 677 HA2 GLY 92 1HA GLY 92 6.065 3.832 -3.260 678 HA3 GLY 92 2HA GLY 92 6.356 3.078 -1.716 679 H LYS 93 H LYS 93 7.178 1.753 -3.718 680 HA LYS 93 HA LYS 93 5.246 -0.482 -4.119 681 HB2 LYS 93 1HB LYS 93 5.803 0.433 -6.237 682 HB3 LYS 93 2HB LYS 93 7.502 0.501 -5.865 683 HG2 LYS 93 1HG LYS 93 7.579 -2.025 -5.752 684 HG3 LYS 93 2HG LYS 93 5.864 -2.058 -6.181 685 HD2 LYS 93 1HD LYS 93 6.412 -0.878 -8.333 686 HD3 LYS 93 2HD LYS 93 8.130 -0.918 -7.886 687 HE2 LYS 93 1HE LYS 93 8.040 -3.404 -7.786 688 HE3 LYS 93 2HE LYS 93 6.329 -3.362 -8.231 689 HZ1 LYS 93 3HZ LYS 93 7.738 -3.768 -10.168 690 HZ2 LYS 93 1HZ LYS 93 8.558 -2.377 -9.939 691 HZ3 LYS 93 2HZ LYS 93 6.976 -2.338 -10.351 692 H ALA 94 H ALA 94 5.597 -2.176 -2.940 693 HA ALA 94 HA ALA 94 8.340 -3.028 -2.309 694 HB1 ALA 94 3HB ALA 94 6.181 -2.432 -0.232 695 HB2 ALA 94 1HB ALA 94 7.741 -3.177 0.130 696 HB3 ALA 94 2HB ALA 94 7.681 -1.505 -0.459 697 H GLU 95 H GLU 95 8.537 -5.205 -1.457 698 HA GLU 95 HA GLU 95 6.180 -6.930 -1.425 699 HB2 GLU 95 1HB GLU 95 6.750 -6.947 -3.808 700 HB3 GLU 95 2HB GLU 95 8.441 -7.293 -3.431 701 HG2 GLU 95 1HG GLU 95 7.839 -9.510 -2.567 702 HG3 GLU 95 2HG GLU 95 6.131 -9.172 -2.830 703 H ASP 96 H ASP 96 6.411 -8.631 -0.060 704 HA ASP 96 HA ASP 96 9.063 -9.442 0.926 705 HB2 ASP 96 1HB ASP 96 7.808 -7.616 2.445 706 HB3 ASP 96 2HB ASP 96 6.809 -8.967 2.906 707 H THR 97 H THR 97 9.073 -11.571 1.895 708 HA THR 97 HA THR 97 6.517 -13.044 1.806 709 HB THR 97 HB THR 97 8.959 -14.483 0.832 710 HG1 THR 97 HG1 THR 97 8.709 -12.749 -0.596 711 HG21 THR 97 3HG2 THR 97 7.264 -15.882 -0.296 712 HG22 THR 97 1HG2 THR 97 5.988 -14.780 0.273 713 HG23 THR 97 2HG2 THR 97 6.893 -15.757 1.438 714 H ILE 98 H ILE 98 6.191 -14.352 3.528 715 HA ILE 98 HA ILE 98 8.438 -14.749 5.483 716 HB ILE 98 HB ILE 98 5.534 -14.501 6.289 717 HG12 ILE 98 1HG1 ILE 98 7.505 -12.205 5.924 718 HG13 ILE 98 2HG1 ILE 98 5.929 -12.412 5.143 719 HG21 ILE 98 1HG2 ILE 98 7.170 -15.502 7.852 720 HG22 ILE 98 2HG2 ILE 98 8.140 -14.009 7.776 721 HG23 ILE 98 3HG2 ILE 98 6.501 -14.007 8.472 722 HD11 ILE 98 3HD1 ILE 98 6.449 -11.729 8.056 723 HD12 ILE 98 1HD1 ILE 98 5.669 -10.738 6.817 724 HD13 ILE 98 2HD1 ILE 98 4.851 -12.194 7.422 725 H SER 99 H SER 99 8.794 -16.860 6.087 726 HA SER 99 HA SER 99 6.898 -18.941 5.177 727 HG SER 99 HG SER 99 10.683 -19.615 6.466 728 HB2 SER 99 1HB SER 99 8.591 -20.528 6.057 729 HB3 SER 99 2HB SER 99 9.137 -19.461 4.755 730 H ILE 100 H ILE 100 5.550 -20.109 6.444 731 HA ILE 100 HA ILE 100 5.528 -19.644 9.376 732 HB ILE 100 HB ILE 100 3.065 -19.328 9.324 733 HG12 ILE 100 1HG1 ILE 100 2.066 -18.303 7.274 734 HG13 ILE 100 2HG1 ILE 100 3.423 -18.891 6.325 735 HG21 ILE 100 1HG2 ILE 100 3.179 -16.968 8.882 736 HG22 ILE 100 2HG2 ILE 100 4.696 -17.488 9.621 737 HG23 ILE 100 3HG2 ILE 100 4.627 -17.166 7.876 738 HD11 ILE 100 3HD1 ILE 100 1.445 -20.622 7.884 739 HD12 ILE 100 1HD1 ILE 100 1.390 -20.296 6.139 740 HD13 ILE 100 2HD1 ILE 100 2.730 -21.228 6.817 741 H LEU 101 H LEU 101 3.698 -21.070 10.409 742 HA LEU 101 HA LEU 101 3.641 -23.811 9.267 743 HG LEU 101 HG LEU 101 6.446 -23.074 10.184 744 HB2 LEU 101 1HB LEU 101 4.679 -22.791 11.931 745 HB3 LEU 101 2HB LEU 101 4.222 -24.479 11.731 746 HD11 LEU 101 1HD1 LEU 101 6.554 -25.093 12.461 747 HD12 LEU 101 2HD1 LEU 101 6.955 -23.364 12.576 748 HD13 LEU 101 3HD1 LEU 101 7.945 -24.434 11.571 749 HD21 LEU 101 3HD2 LEU 101 5.504 -24.942 8.874 750 HD22 LEU 101 1HD2 LEU 101 5.619 -26.015 10.289 751 HD23 LEU 101 2HD2 LEU 101 7.087 -25.381 9.513 752 HA PRO 102 HA PRO 102 -0.525 -23.768 10.838 753 HB2 PRO 102 1HB PRO 102 -0.970 -26.368 11.624 754 HB3 PRO 102 2HB PRO 102 -0.842 -25.848 9.917 755 HG2 PRO 102 1HG PRO 102 1.333 -27.032 11.670 756 HG3 PRO 102 2HG PRO 102 0.864 -27.520 10.008 757 HD2 PRO 102 1HD PRO 102 2.960 -25.868 10.450 758 HD3 PRO 102 2HD PRO 102 1.865 -25.593 9.065 759 H ASP 103 H ASP 103 2.100 -24.549 12.936 760 HA ASP 103 HA ASP 103 0.669 -24.634 15.457 761 HB2 ASP 103 1HB ASP 103 2.888 -25.725 14.896 762 HB3 ASP 103 2HB ASP 103 3.614 -24.119 14.872 763 H ASP 104 H ASP 104 1.022 -22.089 13.391 764 HA ASP 104 HA ASP 104 0.983 -19.857 13.456 765 HB2 ASP 104 1HB ASP 104 -1.115 -20.313 14.589 766 HB3 ASP 104 2HB ASP 104 -0.316 -20.242 16.160 767 HA PRO 105 HA PRO 105 4.894 -19.417 15.923 768 HB2 PRO 105 1HB PRO 105 6.632 -18.867 13.889 769 HB3 PRO 105 2HB PRO 105 6.127 -20.532 14.313 770 HG2 PRO 105 1HG PRO 105 5.004 -18.738 12.137 771 HG3 PRO 105 2HG PRO 105 5.537 -20.444 11.999 772 HD2 PRO 105 1HD PRO 105 2.921 -19.758 12.355 773 HD3 PRO 105 2HD PRO 105 3.606 -21.226 13.112 774 H ARG 106 H ARG 106 3.035 -17.368 13.909 775 HA ARG 106 HA ARG 106 2.868 -15.111 13.526 776 HE ARG 106 HE ARG 106 2.263 -14.676 18.808 777 HB2 ARG 106 1HB ARG 106 3.643 -15.064 16.466 778 HB3 ARG 106 2HB ARG 106 2.899 -13.720 15.584 779 HG2 ARG 106 1HG ARG 106 0.939 -15.120 15.040 780 HG3 ARG 106 2HG ARG 106 1.638 -16.471 15.940 781 HD2 ARG 106 1HD ARG 106 0.910 -13.777 17.144 782 HD3 ARG 106 2HD ARG 106 -0.116 -15.208 17.192 783 HH11 ARG 106 1HH1 ARG 106 0.185 -17.320 17.684 784 HH12 ARG 106 2HH1 ARG 106 0.634 -18.310 19.043 785 HH21 ARG 106 1HH2 ARG 106 2.771 -16.044 20.468 786 HH22 ARG 106 2HH2 ARG 106 2.036 -17.616 20.563 787 H GLN 107 H GLN 107 5.175 -16.082 12.547 788 HA GLN 107 HA GLN 107 7.597 -14.807 13.053 789 HB2 GLN 107 1HB GLN 107 7.168 -16.762 11.549 790 HB3 GLN 107 2HB GLN 107 6.419 -15.683 10.382 791 HG2 GLN 107 1HG GLN 107 8.661 -16.172 9.656 792 HG3 GLN 107 2HG GLN 107 8.580 -14.480 10.105 793 HE21 GLN 107 1HE2 GLN 107 10.920 -14.406 10.411 794 HE22 GLN 107 2HE2 GLN 107 11.646 -15.176 11.814 Start of MODEL 9 1 HA CYS 2 HA CYS 2 -1.288 14.878 -10.720 2 H1 CYS 2 1H CYS 2 -1.172 15.582 -7.958 3 HB2 CYS 2 1HB CYS 2 -0.145 17.292 -10.750 4 HB3 CYS 2 2HB CYS 2 -1.846 17.029 -10.484 5 H GLY 3 H GLY 3 0.716 13.626 -8.714 6 HA2 GLY 3 1HA GLY 3 2.689 12.440 -8.937 7 HA3 GLY 3 2HA GLY 3 2.892 13.019 -10.582 8 H ASP 4 H ASP 4 2.709 15.882 -9.818 9 HA ASP 4 HA ASP 4 5.422 16.415 -8.876 10 HB2 ASP 4 1HB ASP 4 2.976 18.127 -9.415 11 HB3 ASP 4 2HB ASP 4 4.437 18.796 -8.687 12 H CYS 5 H CYS 5 2.409 15.674 -7.329 13 HA CYS 5 HA CYS 5 2.708 16.897 -4.819 14 HB2 CYS 5 1HB CYS 5 1.399 14.217 -5.517 15 HB3 CYS 5 2HB CYS 5 1.224 15.063 -4.023 16 H VAL 6 H VAL 6 4.342 14.074 -6.201 17 HA VAL 6 HA VAL 6 5.327 13.208 -3.497 18 HB VAL 6 HB VAL 6 5.653 11.050 -4.333 19 HG11 VAL 6 1HG1 VAL 6 3.333 10.367 -4.720 20 HG12 VAL 6 2HG1 VAL 6 3.422 11.622 -3.479 21 HG13 VAL 6 3HG1 VAL 6 2.875 12.021 -5.117 22 HG21 VAL 6 3HG2 VAL 6 6.174 11.480 -6.756 23 HG22 VAL 6 1HG2 VAL 6 4.974 10.219 -6.487 24 HG23 VAL 6 2HG2 VAL 6 4.446 11.820 -7.013 25 H GLU 7 H GLU 7 7.534 13.044 -3.086 26 HA GLU 7 HA GLU 7 9.419 14.473 -4.719 27 HB2 GLU 7 1HB GLU 7 9.725 14.389 -2.342 28 HB3 GLU 7 2HB GLU 7 9.770 12.643 -2.308 29 HG2 GLU 7 1HG GLU 7 11.887 12.584 -3.407 30 HG3 GLU 7 2HG GLU 7 11.821 14.314 -3.782 31 H LYS 8 H LYS 8 8.698 11.014 -4.350 32 HA LYS 8 HA LYS 8 10.054 10.418 -6.942 33 HB2 LYS 8 1HB LYS 8 10.300 8.841 -4.336 34 HB3 LYS 8 2HB LYS 8 10.727 8.195 -5.924 35 HG2 LYS 8 1HG LYS 8 12.413 10.003 -6.214 36 HG3 LYS 8 2HG LYS 8 12.025 10.608 -4.592 37 HD2 LYS 8 1HD LYS 8 12.703 8.433 -3.610 38 HD3 LYS 8 2HD LYS 8 13.113 7.833 -5.233 39 HE2 LYS 8 1HE LYS 8 14.768 9.673 -5.487 40 HE3 LYS 8 2HE LYS 8 14.363 10.264 -3.872 41 HZ1 LYS 8 3HZ LYS 8 16.345 8.864 -3.827 42 HZ2 LYS 8 1HZ LYS 8 15.539 7.597 -4.464 43 HZ3 LYS 8 2HZ LYS 8 15.162 8.142 -2.968 44 H GLU 9 H GLU 9 8.986 8.939 -8.180 45 HA GLU 9 HA GLU 9 6.174 8.318 -7.529 46 HB2 GLU 9 1HB GLU 9 8.000 7.897 -9.930 47 HB3 GLU 9 2HB GLU 9 6.415 7.132 -9.850 48 HG2 GLU 9 1HG GLU 9 5.249 9.020 -10.156 49 HG3 GLU 9 2HG GLU 9 6.404 10.065 -9.329 50 H TYR 10 H TYR 10 5.563 6.473 -6.534 51 HA TYR 10 HA TYR 10 5.717 4.477 -5.439 52 HD1 TYR 10 HD1 TYR 10 5.283 5.428 -9.169 53 HD2 TYR 10 HD2 TYR 10 3.706 2.077 -6.925 54 HE1 TYR 10 HE1 TYR 10 3.069 5.822 -10.152 55 HE2 TYR 10 HE2 TYR 10 1.454 2.528 -7.883 56 HH TYR 10 HH TYR 10 0.212 3.793 -9.334 57 HB2 TYR 10 1HB TYR 10 6.776 3.492 -8.095 58 HB3 TYR 10 2HB TYR 10 6.017 2.542 -6.849 59 HA PRO 11 HA PRO 11 10.305 4.840 -4.538 60 HB2 PRO 11 1HB PRO 11 10.041 5.531 -1.886 61 HB3 PRO 11 2HB PRO 11 9.994 6.738 -3.227 62 HG2 PRO 11 1HG PRO 11 7.639 5.412 -1.849 63 HG3 PRO 11 2HG PRO 11 7.948 7.159 -2.089 64 HD2 PRO 11 1HD PRO 11 6.393 5.830 -3.818 65 HD3 PRO 11 2HD PRO 11 7.609 6.951 -4.463 66 H ASN 12 H ASN 12 11.509 3.093 -3.523 67 HA ASN 12 HA ASN 12 9.846 0.843 -2.614 68 HB2 ASN 12 1HB ASN 12 12.884 1.161 -2.764 69 HB3 ASN 12 2HB ASN 12 12.020 -0.336 -2.416 70 HD21 ASN 12 1HD2 ASN 12 10.064 -0.606 -4.277 71 HD22 ASN 12 2HD2 ASN 12 10.779 -0.538 -5.885 72 H ARG 13 H ARG 13 9.723 -0.002 -0.525 73 HA ARG 13 HA ARG 13 10.731 1.797 1.666 74 HE ARG 13 HE ARG 13 8.538 4.146 3.231 75 HB2 ARG 13 1HB ARG 13 8.148 0.208 1.641 76 HB3 ARG 13 2HB ARG 13 8.727 1.294 2.906 77 HG2 ARG 13 1HG ARG 13 7.696 2.015 0.172 78 HG3 ARG 13 2HG ARG 13 7.019 2.401 1.750 79 HD2 ARG 13 1HD ARG 13 9.445 3.629 0.415 80 HD3 ARG 13 2HD ARG 13 7.952 4.409 0.856 81 HH11 ARG 13 1HH1 ARG 13 11.271 3.929 0.994 82 HH12 ARG 13 2HH1 ARG 13 12.369 4.561 2.190 83 HH21 ARG 13 1HH2 ARG 13 10.047 4.790 4.702 84 HH22 ARG 13 2HH2 ARG 13 11.709 4.977 4.231 85 H GLY 14 H GLY 14 12.167 -0.365 0.604 86 HA2 GLY 14 1HA GLY 14 13.477 -2.095 1.240 87 HA3 GLY 14 2HA GLY 14 13.277 -1.520 2.907 88 H ASN 15 H ASN 15 10.491 -2.478 1.353 89 HA ASN 15 HA ASN 15 9.510 -4.564 0.917 90 HB2 ASN 15 1HB ASN 15 9.694 -6.489 2.229 91 HB3 ASN 15 2HB ASN 15 11.316 -5.912 2.100 92 HD21 ASN 15 1HD2 ASN 15 10.582 -7.761 4.088 93 HD22 ASN 15 2HD2 ASN 15 10.643 -6.942 5.648 94 H THR 16 H THR 16 9.044 -2.143 3.121 95 HA THR 16 HA THR 16 6.921 -3.094 4.777 96 HB THR 16 HB THR 16 7.477 -0.273 3.798 97 HG1 THR 16 HG1 THR 16 9.233 -0.927 4.869 98 HG21 THR 16 3HG2 THR 16 5.309 -0.233 4.776 99 HG22 THR 16 1HG2 THR 16 6.432 0.400 5.978 100 HG23 THR 16 2HG2 THR 16 5.830 -1.265 6.140 101 H CYS 17 H CYS 17 4.891 -3.849 4.160 102 HA CYS 17 HA CYS 17 3.512 -2.518 1.877 103 HG CYS 17 HG CYS 17 5.770 -4.943 1.787 104 HB2 CYS 17 1HB CYS 17 3.389 -5.420 2.769 105 HB3 CYS 17 2HB CYS 17 2.475 -4.704 1.435 106 H LEU 18 H LEU 18 1.983 -1.233 2.725 107 HA LEU 18 HA LEU 18 0.371 -2.075 5.113 108 HG LEU 18 HG LEU 18 1.001 -0.379 7.096 109 HB2 LEU 18 1HB LEU 18 1.670 0.504 4.273 110 HB3 LEU 18 2HB LEU 18 0.156 0.592 5.133 111 HD11 LEU 18 1HD1 LEU 18 3.451 -1.062 7.287 112 HD12 LEU 18 2HD1 LEU 18 3.452 -1.134 5.506 113 HD13 LEU 18 3HD1 LEU 18 2.376 -2.183 6.452 114 HD21 LEU 18 3HD2 LEU 18 3.154 1.461 5.971 115 HD22 LEU 18 1HD2 LEU 18 2.790 1.181 7.689 116 HD23 LEU 18 2HD2 LEU 18 1.599 1.990 6.657 117 H GLU 19 H GLU 19 -1.708 -1.741 5.219 118 HA GLU 19 HA GLU 19 -3.247 -1.241 2.734 119 HB2 GLU 19 1HB GLU 19 -5.082 -2.245 3.870 120 HB3 GLU 19 2HB GLU 19 -3.717 -3.300 4.072 121 HG2 GLU 19 1HG GLU 19 -4.649 -1.339 6.209 122 HG3 GLU 19 2HG GLU 19 -5.259 -2.978 6.042 123 H ASN 20 H ASN 20 -2.161 0.605 5.337 124 HA ASN 20 HA ASN 20 -4.209 2.681 4.846 125 HB2 ASN 20 1HB ASN 20 -3.776 1.268 7.495 126 HB3 ASN 20 2HB ASN 20 -4.231 2.964 7.489 127 HD21 ASN 20 1HD2 ASN 20 -5.660 0.184 8.057 128 HD22 ASN 20 2HD2 ASN 20 -7.226 0.505 7.333 129 H GLY 21 H GLY 21 -3.607 4.774 5.434 130 HA2 GLY 21 1HA GLY 21 -2.069 6.249 6.703 131 HA3 GLY 21 2HA GLY 21 -0.730 5.256 6.141 132 H SER 22 H SER 22 -0.147 7.581 5.670 133 HA SER 22 HA SER 22 -0.262 8.069 2.772 134 HG SER 22 HG SER 22 -2.798 8.917 3.915 135 HB2 SER 22 1HB SER 22 -1.092 10.196 4.803 136 HB3 SER 22 2HB SER 22 -0.584 10.531 3.147 137 H PHE 23 H PHE 23 1.869 8.132 2.282 138 HA PHE 23 HA PHE 23 3.823 8.460 4.334 139 HD1 PHE 23 HD1 PHE 23 5.798 7.960 4.772 140 HD2 PHE 23 HD2 PHE 23 6.276 7.247 0.544 141 HE1 PHE 23 HE1 PHE 23 8.216 7.622 5.095 142 HE2 PHE 23 HE2 PHE 23 8.713 6.953 0.869 143 HZ PHE 23 HZ PHE 23 9.708 7.269 3.145 144 HB2 PHE 23 1HB PHE 23 3.905 6.862 2.478 145 HB3 PHE 23 2HB PHE 23 4.210 8.167 1.350 146 H LEU 24 H LEU 24 3.391 10.548 5.088 147 HA LEU 24 HA LEU 24 3.649 12.937 3.758 148 HG LEU 24 HG LEU 24 2.267 11.583 6.510 149 HB2 LEU 24 1HB LEU 24 4.536 12.383 6.620 150 HB3 LEU 24 2HB LEU 24 4.100 13.944 5.949 151 HD11 LEU 24 1HD1 LEU 24 1.165 13.149 8.030 152 HD12 LEU 24 2HD1 LEU 24 2.291 14.440 7.555 153 HD13 LEU 24 3HD1 LEU 24 2.885 13.007 8.425 154 HD21 LEU 24 3HD2 LEU 24 1.541 14.200 5.126 155 HD22 LEU 24 1HD2 LEU 24 0.382 12.996 5.742 156 HD23 LEU 24 2HD2 LEU 24 1.457 12.567 4.418 157 H LEU 25 H LEU 25 6.347 10.918 4.628 158 HA LEU 25 HA LEU 25 8.389 12.996 4.342 159 HG LEU 25 HG LEU 25 7.986 10.893 6.614 160 HB2 LEU 25 1HB LEU 25 8.525 9.970 4.393 161 HB3 LEU 25 2HB LEU 25 9.946 10.968 4.273 162 HD11 LEU 25 1HD1 LEU 25 9.899 9.969 7.848 163 HD12 LEU 25 2HD1 LEU 25 10.908 10.054 6.387 164 HD13 LEU 25 3HD1 LEU 25 9.515 8.954 6.453 165 HD21 LEU 25 3HD2 LEU 25 10.505 12.574 6.247 166 HD22 LEU 25 1HD2 LEU 25 9.654 12.342 7.790 167 HD23 LEU 25 2HD2 LEU 25 8.843 13.176 6.467 168 H ASN 26 H ASN 26 6.561 11.171 2.040 169 HA ASN 26 HA ASN 26 8.494 11.854 -0.162 170 HB2 ASN 26 1HB ASN 26 7.742 9.478 0.091 171 HB3 ASN 26 2HB ASN 26 6.088 9.980 -0.188 172 HD21 ASN 26 1HD2 ASN 26 5.918 8.737 -2.198 173 HD22 ASN 26 2HD2 ASN 26 6.820 9.255 -3.629 174 H PHE 27 H PHE 27 5.195 12.361 1.091 175 HA PHE 27 HA PHE 27 4.241 13.836 -1.190 176 HD1 PHE 27 HD1 PHE 27 2.116 14.409 -1.848 177 HD2 PHE 27 HD2 PHE 27 1.906 15.749 2.234 178 HE1 PHE 27 HE1 PHE 27 0.291 16.031 -2.482 179 HE2 PHE 27 HE2 PHE 27 0.149 17.396 1.586 180 HZ PHE 27 HZ PHE 27 -0.693 17.477 -0.737 181 HB2 PHE 27 1HB PHE 27 2.738 12.908 0.485 182 HB3 PHE 27 2HB PHE 27 3.366 13.997 1.708 183 H THR 28 H THR 28 5.331 15.557 -1.966 184 HA THR 28 HA THR 28 6.728 17.465 -0.168 185 HB THR 28 HB THR 28 7.324 18.604 -2.380 186 HG1 THR 28 HG1 THR 28 5.805 17.752 -3.771 187 HG21 THR 28 3HG2 THR 28 8.075 15.702 -1.923 188 HG22 THR 28 1HG2 THR 28 8.873 17.122 -1.216 189 HG23 THR 28 2HG2 THR 28 8.965 16.839 -2.965 190 H GLY 29 H GLY 29 3.606 17.129 -1.095 191 HA2 GLY 29 1HA GLY 29 1.893 18.640 -0.417 192 HA3 GLY 29 2HA GLY 29 2.910 20.021 -0.765 193 H CYS 30 H CYS 30 0.258 19.391 -1.819 194 HA CYS 30 HA CYS 30 0.144 18.300 -4.347 195 HB2 CYS 30 1HB CYS 30 -1.709 19.113 -2.736 196 HB3 CYS 30 2HB CYS 30 -1.477 20.698 -3.429 197 H ALA 31 H ALA 31 -0.459 19.358 -6.306 198 HA ALA 31 HA ALA 31 1.018 21.886 -6.863 199 HB1 ALA 31 3HB ALA 31 2.237 19.754 -7.717 200 HB2 ALA 31 1HB ALA 31 1.001 19.820 -9.014 201 HB3 ALA 31 2HB ALA 31 2.075 21.189 -8.771 202 H VAL 32 H VAL 32 -1.982 20.223 -7.048 203 HA VAL 32 HA VAL 32 -3.032 21.870 -9.216 204 HB VAL 32 HB VAL 32 -4.357 20.085 -7.139 205 HG11 VAL 32 1HG1 VAL 32 -6.537 20.448 -8.210 206 HG12 VAL 32 2HG1 VAL 32 -5.955 21.925 -7.448 207 HG13 VAL 32 3HG1 VAL 32 -5.841 21.750 -9.216 208 HG21 VAL 32 3HG2 VAL 32 -5.121 18.822 -9.099 209 HG22 VAL 32 1HG2 VAL 32 -4.352 20.003 -10.191 210 HG23 VAL 32 2HG2 VAL 32 -3.364 18.986 -9.122 211 H CYS 33 H CYS 33 -2.778 22.050 -5.694 212 HA CYS 33 HA CYS 33 -3.677 24.893 -5.746 213 HB2 CYS 33 1HB CYS 33 -4.743 24.524 -3.656 214 HB3 CYS 33 2HB CYS 33 -5.368 23.349 -4.825 215 H SER 34 H SER 34 -1.158 22.761 -4.708 216 HA SER 34 HA SER 34 0.916 23.219 -3.887 217 HG SER 34 HG SER 34 2.352 25.194 -2.683 218 HB2 SER 34 1HB SER 34 0.527 25.556 -4.834 219 HB3 SER 34 2HB SER 34 0.280 26.051 -3.150 220 H LYS 35 H LYS 35 -1.463 22.385 -2.048 221 HA LYS 35 HA LYS 35 -0.488 23.318 0.617 222 HB2 LYS 35 1HB LYS 35 -2.845 21.666 -0.323 223 HB3 LYS 35 2HB LYS 35 -2.412 21.810 1.371 224 HG2 LYS 35 1HG LYS 35 -2.437 24.477 0.192 225 HG3 LYS 35 2HG LYS 35 -3.945 23.642 -0.188 226 HD2 LYS 35 1HD LYS 35 -4.381 23.181 2.132 227 HD3 LYS 35 2HD LYS 35 -2.776 23.813 2.601 228 HE2 LYS 35 1HE LYS 35 -3.440 26.051 1.676 229 HE3 LYS 35 2HE LYS 35 -5.045 25.409 1.305 230 HZ1 LYS 35 3HZ LYS 35 -5.021 26.591 3.429 231 HZ2 LYS 35 1HZ LYS 35 -3.871 25.602 4.031 232 HZ3 LYS 35 2HZ LYS 35 -5.362 25.017 3.691 233 H ARG 36 H ARG 36 0.535 22.140 2.114 234 HA ARG 36 HA ARG 36 1.253 19.270 1.594 235 HE ARG 36 HE ARG 36 6.351 19.796 4.312 236 HB2 ARG 36 1HB ARG 36 3.175 20.750 1.443 237 HB3 ARG 36 2HB ARG 36 2.866 21.322 3.089 238 HG2 ARG 36 1HG ARG 36 3.461 19.279 4.071 239 HG3 ARG 36 2HG ARG 36 3.231 18.355 2.572 240 HD2 ARG 36 1HD ARG 36 5.277 18.798 1.775 241 HD3 ARG 36 2HD ARG 36 5.295 20.450 2.382 242 HH11 ARG 36 1HH1 ARG 36 5.361 16.784 2.759 243 HH12 ARG 36 2HH1 ARG 36 6.023 15.819 4.019 244 HH21 ARG 36 1HH2 ARG 36 7.256 18.477 5.837 245 HH22 ARG 36 2HH2 ARG 36 7.097 16.751 5.694 246 H ASP 37 H ASP 37 1.480 17.976 3.598 247 HA ASP 37 HA ASP 37 0.406 16.910 5.248 248 HB2 ASP 37 1HB ASP 37 0.400 17.884 7.393 249 HB3 ASP 37 2HB ASP 37 1.882 18.240 6.532 250 H PHE 38 H PHE 38 -1.264 17.948 3.311 251 HA PHE 38 HA PHE 38 -3.946 18.051 4.607 252 HD1 PHE 38 HD1 PHE 38 -2.356 20.450 5.237 253 HD2 PHE 38 HD2 PHE 38 -5.916 20.857 2.848 254 HE1 PHE 38 HE1 PHE 38 -3.081 22.355 6.635 255 HE2 PHE 38 HE2 PHE 38 -6.634 22.780 4.229 256 HZ PHE 38 HZ PHE 38 -5.223 23.524 6.154 257 HB2 PHE 38 1HB PHE 38 -2.767 19.714 2.430 258 HB3 PHE 38 2HB PHE 38 -4.431 19.223 2.264 259 H MET 39 H MET 39 -4.495 15.961 4.457 260 HA MET 39 HA MET 39 -5.364 15.041 1.878 261 HB2 MET 39 1HB MET 39 -4.174 12.794 1.971 262 HB3 MET 39 2HB MET 39 -3.274 14.163 1.405 263 HG2 MET 39 1HG MET 39 -2.962 13.863 4.311 264 HG3 MET 39 2HG MET 39 -2.619 12.350 3.492 265 HE1 MET 39 3HE MET 39 0.437 13.055 1.304 266 HE2 MET 39 1HE MET 39 -0.982 12.035 1.605 267 HE3 MET 39 2HE MET 39 -1.140 13.510 0.625 268 H LEU 40 H LEU 40 -6.666 13.398 1.800 269 HA LEU 40 HA LEU 40 -7.895 12.123 4.204 270 HG LEU 40 HG LEU 40 -10.450 14.740 3.262 271 HB2 LEU 40 1HB LEU 40 -9.048 13.655 1.850 272 HB3 LEU 40 2HB LEU 40 -9.942 12.315 2.461 273 HD11 LEU 40 1HD1 LEU 40 -10.377 12.355 5.176 274 HD12 LEU 40 2HD1 LEU 40 -11.653 12.690 3.984 275 HD13 LEU 40 3HD1 LEU 40 -11.414 13.789 5.347 276 HD21 LEU 40 3HD2 LEU 40 -8.280 15.248 4.213 277 HD22 LEU 40 1HD2 LEU 40 -8.463 13.923 5.386 278 HD23 LEU 40 2HD2 LEU 40 -9.572 15.301 5.431 279 H ILE 41 H ILE 41 -9.089 10.146 3.563 280 HA ILE 41 HA ILE 41 -8.098 8.760 1.116 281 HB ILE 41 HB ILE 41 -8.341 7.697 3.947 282 HG12 ILE 41 1HG1 ILE 41 -5.961 7.653 2.027 283 HG13 ILE 41 2HG1 ILE 41 -6.193 8.855 3.296 284 HG21 ILE 41 1HG2 ILE 41 -9.336 5.998 2.506 285 HG22 ILE 41 2HG2 ILE 41 -8.029 6.155 1.321 286 HG23 ILE 41 3HG2 ILE 41 -7.728 5.437 2.915 287 HD11 ILE 41 3HD1 ILE 41 -4.676 7.264 4.167 288 HD12 ILE 41 1HD1 ILE 41 -6.212 7.000 5.004 289 HD13 ILE 41 2HD1 ILE 41 -5.693 5.890 3.710 290 H THR 42 H THR 42 -9.696 7.852 -0.030 291 HA THR 42 HA THR 42 -12.314 7.278 1.166 292 HB THR 42 HB THR 42 -12.192 9.764 0.306 293 HG1 THR 42 HG1 THR 42 -14.391 9.566 -0.077 294 HG21 THR 42 3HG2 THR 42 -12.615 10.216 -1.912 295 HG22 THR 42 1HG2 THR 42 -13.271 8.610 -2.256 296 HG23 THR 42 2HG2 THR 42 -11.525 8.823 -2.103 297 H ASN 43 H ASN 43 -13.840 6.500 -0.660 298 HA ASN 43 HA ASN 43 -14.351 4.858 -2.168 299 HB2 ASN 43 1HB ASN 43 -13.740 6.676 -3.578 300 HB3 ASN 43 2HB ASN 43 -12.031 6.355 -3.432 301 HD21 ASN 43 1HD2 ASN 43 -11.180 5.609 -5.249 302 HD22 ASN 43 2HD2 ASN 43 -12.033 4.591 -6.414 303 H LYS 44 H LYS 44 -12.314 4.208 -0.029 304 HA LYS 44 HA LYS 44 -10.516 2.200 -0.794 305 HB2 LYS 44 1HB LYS 44 -10.773 3.454 1.439 306 HB3 LYS 44 2HB LYS 44 -12.060 2.296 1.812 307 HG2 LYS 44 1HG LYS 44 -10.396 0.412 1.447 308 HG3 LYS 44 2HG LYS 44 -9.146 1.638 1.286 309 HD2 LYS 44 1HD LYS 44 -9.889 2.480 3.631 310 HD3 LYS 44 2HD LYS 44 -10.794 0.958 3.725 311 HE2 LYS 44 1HE LYS 44 -8.741 0.422 4.740 312 HE3 LYS 44 2HE LYS 44 -8.582 -0.217 3.099 313 HZ1 LYS 44 3HZ LYS 44 -7.406 1.981 2.590 314 HZ2 LYS 44 1HZ LYS 44 -6.597 0.991 3.612 315 HZ3 LYS 44 2HZ LYS 44 -7.384 2.255 4.220 316 H SER 45 H SER 45 -10.842 0.409 -1.789 317 HA SER 45 HA SER 45 -13.258 -1.269 -1.276 318 HG SER 45 HG SER 45 -13.004 0.509 -3.604 319 HB2 SER 45 1HB SER 45 -11.371 -1.085 -3.672 320 HB3 SER 45 2HB SER 45 -12.625 -2.317 -3.486 321 H LEU 46 H LEU 46 -13.007 -3.512 -1.190 322 HA LEU 46 HA LEU 46 -10.338 -4.609 -0.617 323 HG LEU 46 HG LEU 46 -10.439 -6.629 1.044 324 HB2 LEU 46 1HB LEU 46 -11.022 -4.011 1.548 325 HB3 LEU 46 2HB LEU 46 -12.662 -4.592 1.322 326 HD11 LEU 46 1HD1 LEU 46 -9.744 -5.333 3.037 327 HD12 LEU 46 2HD1 LEU 46 -10.292 -6.954 3.474 328 HD13 LEU 46 3HD1 LEU 46 -11.358 -5.554 3.747 329 HD21 LEU 46 3HD2 LEU 46 -12.011 -8.087 2.244 330 HD22 LEU 46 1HD2 LEU 46 -12.783 -7.385 0.828 331 HD23 LEU 46 2HD2 LEU 46 -13.145 -6.733 2.439 332 H LYS 47 H LYS 47 -10.081 -6.649 -1.270 333 HA LYS 47 HA LYS 47 -12.374 -8.187 -2.353 334 HB2 LYS 47 1HB LYS 47 -10.499 -6.806 -3.931 335 HB3 LYS 47 2HB LYS 47 -9.864 -8.436 -3.888 336 HG2 LYS 47 1HG LYS 47 -12.185 -9.243 -4.548 337 HG3 LYS 47 2HG LYS 47 -12.626 -7.537 -4.746 338 HD2 LYS 47 1HD LYS 47 -12.137 -8.329 -6.923 339 HD3 LYS 47 2HD LYS 47 -10.721 -7.367 -6.457 340 HE2 LYS 47 1HE LYS 47 -9.510 -9.441 -5.842 341 HE3 LYS 47 2HE LYS 47 -10.961 -10.400 -6.154 342 HZ1 LYS 47 3HZ LYS 47 -9.371 -8.943 -8.192 343 HZ2 LYS 47 1HZ LYS 47 -10.800 -9.689 -8.504 344 HZ3 LYS 47 2HZ LYS 47 -9.521 -10.575 -8.001 345 H GLU 48 H GLU 48 -12.147 -10.429 -2.344 346 HA GLU 48 HA GLU 48 -9.673 -11.532 -1.076 347 HB2 GLU 48 1HB GLU 48 -12.482 -12.090 -0.048 348 HB3 GLU 48 2HB GLU 48 -11.006 -12.901 0.479 349 HG2 GLU 48 1HG GLU 48 -10.132 -10.744 1.345 350 HG3 GLU 48 2HG GLU 48 -11.632 -9.953 0.865 351 H GLU 49 H GLU 49 -8.938 -13.059 -2.396 352 HA GLU 49 HA GLU 49 -10.836 -14.995 -3.659 353 HB2 GLU 49 1HB GLU 49 -8.286 -13.903 -4.888 354 HB3 GLU 49 2HB GLU 49 -9.187 -15.319 -5.456 355 HG2 GLU 49 1HG GLU 49 -11.217 -13.852 -5.745 356 HG3 GLU 49 2HG GLU 49 -10.221 -12.453 -5.335 357 H ASP 50 H ASP 50 -10.636 -16.967 -2.909 358 HA ASP 50 HA ASP 50 -9.839 -18.821 -1.835 359 HB2 ASP 50 1HB ASP 50 -9.134 -18.738 -4.313 360 HB3 ASP 50 2HB ASP 50 -7.512 -18.360 -3.739 361 H GLY 51 H GLY 51 -8.712 -16.395 -0.463 362 HA2 GLY 51 1HA GLY 51 -7.626 -16.747 1.782 363 HA3 GLY 51 2HA GLY 51 -6.332 -17.616 0.949 364 H GLU 52 H GLU 52 -6.634 -15.511 -1.322 365 HA GLU 52 HA GLU 52 -4.632 -13.627 -0.351 366 HB2 GLU 52 1HB GLU 52 -4.537 -14.469 -2.667 367 HB3 GLU 52 2HB GLU 52 -6.175 -13.855 -2.964 368 HG2 GLU 52 1HG GLU 52 -5.342 -11.514 -2.642 369 HG3 GLU 52 2HG GLU 52 -3.724 -12.144 -2.482 370 H GLU 53 H GLU 53 -4.960 -11.548 0.236 371 HA GLU 53 HA GLU 53 -7.739 -10.440 0.257 372 HB2 GLU 53 1HB GLU 53 -5.526 -10.017 2.306 373 HB3 GLU 53 2HB GLU 53 -7.079 -9.177 2.269 374 HG2 GLU 53 1HG GLU 53 -8.247 -11.369 2.558 375 HG3 GLU 53 2HG GLU 53 -6.682 -12.174 2.671 376 H ILE 54 H ILE 54 -7.970 -8.551 -0.835 377 HA ILE 54 HA ILE 54 -5.505 -7.059 -1.589 378 HB ILE 54 HB ILE 54 -7.993 -7.342 -3.316 379 HG12 ILE 54 1HG1 ILE 54 -6.062 -8.539 -4.793 380 HG13 ILE 54 2HG1 ILE 54 -5.416 -8.948 -3.211 381 HG21 ILE 54 1HG2 ILE 54 -6.422 -6.327 -5.001 382 HG22 ILE 54 2HG2 ILE 54 -6.825 -5.273 -3.646 383 HG23 ILE 54 3HG2 ILE 54 -5.259 -6.110 -3.668 384 HD11 ILE 54 3HD1 ILE 54 -8.180 -9.665 -4.296 385 HD12 ILE 54 1HD1 ILE 54 -6.817 -10.749 -4.179 386 HD13 ILE 54 2HD1 ILE 54 -7.575 -10.145 -2.695 387 H VAL 55 H VAL 55 -5.546 -4.875 -1.328 388 HA VAL 55 HA VAL 55 -8.101 -3.538 -0.534 389 HB VAL 55 HB VAL 55 -5.377 -3.107 0.764 390 HG11 VAL 55 1HG1 VAL 55 -6.720 -1.070 0.686 391 HG12 VAL 55 2HG1 VAL 55 -8.108 -1.933 1.410 392 HG13 VAL 55 3HG1 VAL 55 -6.597 -1.688 2.337 393 HG21 VAL 55 3HG2 VAL 55 -6.242 -5.226 1.561 394 HG22 VAL 55 1HG2 VAL 55 -6.463 -4.020 2.831 395 HG23 VAL 55 2HG2 VAL 55 -7.852 -4.516 1.831 396 H THR 56 H THR 56 -8.498 -1.992 -1.986 397 HA THR 56 HA THR 56 -6.199 -0.459 -3.122 398 HB THR 56 HB THR 56 -7.240 -0.282 -5.246 399 HG1 THR 56 HG1 THR 56 -9.083 -1.506 -5.731 400 HG21 THR 56 3HG2 THR 56 -7.275 -3.242 -4.478 401 HG22 THR 56 1HG2 THR 56 -5.780 -2.309 -4.671 402 HG23 THR 56 2HG2 THR 56 -6.872 -2.524 -6.047 403 H TYR 57 H TYR 57 -6.299 1.736 -3.055 404 HA TYR 57 HA TYR 57 -8.867 3.114 -2.646 405 HD1 TYR 57 HD1 TYR 57 -6.344 1.130 0.076 406 HD2 TYR 57 HD2 TYR 57 -6.380 5.439 -0.053 407 HE1 TYR 57 HE1 TYR 57 -4.314 1.208 1.525 408 HE2 TYR 57 HE2 TYR 57 -4.370 5.510 1.390 409 HH TYR 57 HH TYR 57 -2.850 4.304 2.574 410 HB2 TYR 57 1HB TYR 57 -8.422 4.121 -0.577 411 HB3 TYR 57 2HB TYR 57 -8.402 2.397 -0.442 412 H ASP 58 H ASP 58 -8.073 5.571 -1.840 413 HA ASP 58 HA ASP 58 -5.973 6.514 -3.742 414 HB2 ASP 58 1HB ASP 58 -8.793 7.650 -3.361 415 HB3 ASP 58 2HB ASP 58 -7.544 8.338 -4.368 416 H HIS 59 H HIS 59 -5.250 8.647 -3.226 417 HA HIS 59 HA HIS 59 -5.825 9.664 -0.463 418 HD1 HIS 59 HD1 HIS 59 -2.902 9.016 1.391 419 HD2 HIS 59 HD2 HIS 59 -2.672 7.658 -2.591 420 HE1 HIS 59 HE1 HIS 59 -1.482 6.918 1.414 421 HB2 HIS 59 1HB HIS 59 -3.388 10.257 -2.170 422 HB3 HIS 59 2HB HIS 59 -3.675 10.749 -0.512 423 H LEU 60 H LEU 60 -6.540 11.773 -0.347 424 HA LEU 60 HA LEU 60 -6.974 13.296 -2.876 425 HG LEU 60 HG LEU 60 -8.951 12.178 -3.727 426 HB2 LEU 60 1HB LEU 60 -9.028 12.640 -0.717 427 HB3 LEU 60 2HB LEU 60 -9.183 13.969 -1.853 428 HD11 LEU 60 1HD1 LEU 60 -9.941 9.967 -3.141 429 HD12 LEU 60 2HD1 LEU 60 -9.964 10.444 -1.413 430 HD13 LEU 60 3HD1 LEU 60 -8.436 10.192 -2.265 431 HD21 LEU 60 3HD2 LEU 60 -11.389 11.861 -3.669 432 HD22 LEU 60 1HD2 LEU 60 -10.957 13.516 -3.216 433 HD23 LEU 60 2HD2 LEU 60 -11.424 12.359 -1.958 434 H CYS 61 H CYS 61 -6.469 15.393 -2.722 435 HA CYS 61 HA CYS 61 -5.143 16.530 -0.501 436 HB2 CYS 61 1HB CYS 61 -5.103 17.077 -3.007 437 HB3 CYS 61 2HB CYS 61 -6.611 17.951 -2.767 438 H LYS 62 H LYS 62 -5.861 17.341 1.388 439 HA LYS 62 HA LYS 62 -8.683 17.484 2.039 440 HB2 LYS 62 1HB LYS 62 -7.131 17.018 3.788 441 HB3 LYS 62 2HB LYS 62 -6.142 18.406 3.411 442 HG2 LYS 62 1HG LYS 62 -7.248 18.786 5.491 443 HG3 LYS 62 2HG LYS 62 -7.810 19.940 4.300 444 HD2 LYS 62 1HD LYS 62 -9.833 18.297 3.962 445 HD3 LYS 62 2HD LYS 62 -9.238 17.513 5.425 446 HE2 LYS 62 1HE LYS 62 -10.966 19.022 6.085 447 HE3 LYS 62 2HE LYS 62 -9.432 19.691 6.647 448 HZ1 LYS 62 3HZ LYS 62 -10.828 20.548 4.160 449 HZ2 LYS 62 1HZ LYS 62 -9.472 21.218 4.759 450 HZ3 LYS 62 2HZ LYS 62 -10.878 21.367 5.577 451 H ASN 63 H ASN 63 -6.777 19.637 0.202 452 HA ASN 63 HA ASN 63 -8.370 22.033 0.925 453 HB2 ASN 63 1HB ASN 63 -5.981 22.300 0.925 454 HB3 ASN 63 2HB ASN 63 -5.849 21.706 -0.724 455 HD21 ASN 63 1HD2 ASN 63 -5.616 23.328 -2.197 456 HD22 ASN 63 2HD2 ASN 63 -6.360 24.925 -2.020 457 H CYS 64 H CYS 64 -7.232 20.508 -2.193 458 HA CYS 64 HA CYS 64 -9.643 21.593 -3.510 459 HB2 CYS 64 1HB CYS 64 -8.378 21.201 -5.576 460 HB3 CYS 64 2HB CYS 64 -7.575 22.298 -4.460 461 H HIS 65 H HIS 65 -8.856 18.660 -2.117 462 HA HIS 65 HA HIS 65 -9.451 16.484 -2.370 463 HD1 HIS 65 HD1 HIS 65 -12.520 19.264 -1.164 464 HD2 HIS 65 HD2 HIS 65 -10.831 15.497 -0.230 465 HE1 HIS 65 HE1 HIS 65 -12.536 19.076 1.406 466 HE2 HIS 65 HE2 HIS 65 -11.546 16.764 1.962 467 HB2 HIS 65 1HB HIS 65 -12.054 17.706 -3.257 468 HB3 HIS 65 2HB HIS 65 -11.820 16.011 -2.842 469 H HIS 66 H HIS 66 -8.125 17.693 -4.698 470 HA HIS 66 HA HIS 66 -8.729 16.039 -7.009 471 HD1 HIS 66 HD1 HIS 66 -5.888 15.856 -9.152 472 HD2 HIS 66 HD2 HIS 66 -4.462 17.283 -5.448 473 HE1 HIS 66 HE1 HIS 66 -3.369 15.793 -9.276 474 HB2 HIS 66 1HB HIS 66 -7.402 17.688 -7.708 475 HB3 HIS 66 2HB HIS 66 -6.765 17.988 -6.102 476 H VAL 67 H VAL 67 -7.710 13.980 -7.489 477 HA VAL 67 HA VAL 67 -6.891 12.421 -5.167 478 HB VAL 67 HB VAL 67 -6.940 11.605 -8.105 479 HG11 VAL 67 1HG1 VAL 67 -7.007 9.313 -7.137 480 HG12 VAL 67 2HG1 VAL 67 -5.518 10.157 -6.653 481 HG13 VAL 67 3HG1 VAL 67 -6.852 10.017 -5.515 482 HG21 VAL 67 3HG2 VAL 67 -9.014 11.202 -5.899 483 HG22 VAL 67 1HG2 VAL 67 -9.215 12.221 -7.340 484 HG23 VAL 67 2HG2 VAL 67 -9.069 10.471 -7.516 485 H ILE 68 H ILE 68 -5.059 12.924 -4.311 486 HA ILE 68 HA ILE 68 -2.692 13.938 -5.522 487 HB ILE 68 HB ILE 68 -3.325 12.557 -2.914 488 HG12 ILE 68 1HG1 ILE 68 -2.467 15.382 -3.687 489 HG13 ILE 68 2HG1 ILE 68 -4.134 14.874 -3.445 490 HG21 ILE 68 1HG2 ILE 68 -0.974 11.912 -3.366 491 HG22 ILE 68 2HG2 ILE 68 -0.576 13.607 -3.705 492 HG23 ILE 68 3HG2 ILE 68 -1.052 13.086 -2.079 493 HD11 ILE 68 3HD1 ILE 68 -1.985 14.877 -1.297 494 HD12 ILE 68 1HD1 ILE 68 -3.269 16.058 -1.522 495 HD13 ILE 68 2HD1 ILE 68 -3.688 14.375 -1.096 496 H ALA 69 H ALA 69 -3.620 10.607 -4.647 497 HA ALA 69 HA ALA 69 -1.886 9.394 -6.658 498 HB1 ALA 69 3HB ALA 69 -1.275 9.288 -3.662 499 HB2 ALA 69 1HB ALA 69 -0.567 8.163 -4.830 500 HB3 ALA 69 2HB ALA 69 -0.227 9.905 -4.946 501 H ARG 70 H ARG 70 -2.010 7.010 -6.570 502 HA ARG 70 HA ARG 70 -4.549 5.927 -5.384 503 HE ARG 70 HE ARG 70 -3.815 6.726 -9.850 504 HB2 ARG 70 1HB ARG 70 -3.127 5.339 -8.005 505 HB3 ARG 70 2HB ARG 70 -4.120 4.138 -7.174 506 HG2 ARG 70 1HG ARG 70 -5.454 5.103 -8.861 507 HG3 ARG 70 2HG ARG 70 -6.051 5.483 -7.241 508 HD2 ARG 70 1HD ARG 70 -6.205 7.446 -8.701 509 HD3 ARG 70 2HD ARG 70 -5.044 7.698 -7.384 510 HH11 ARG 70 1HH1 ARG 70 -4.892 9.695 -8.374 511 HH12 ARG 70 2HH1 ARG 70 -3.668 10.657 -9.150 512 HH21 ARG 70 1HH2 ARG 70 -2.305 8.002 -10.875 513 HH22 ARG 70 2HH2 ARG 70 -2.276 9.714 -10.579 514 H HIS 71 H HIS 71 -4.416 4.057 -4.326 515 HA HIS 71 HA HIS 71 -1.694 2.938 -3.663 516 HD2 HIS 71 HD2 HIS 71 -2.687 0.536 -1.007 517 HE1 HIS 71 HE1 HIS 71 0.357 2.678 1.069 518 HE2 HIS 71 HE2 HIS 71 -0.823 0.429 0.840 519 HB2 HIS 71 1HB HIS 71 -2.908 4.418 -1.937 520 HB3 HIS 71 2HB HIS 71 -4.061 3.112 -1.771 521 H GLU 72 H GLU 72 -1.503 0.759 -3.695 522 HA GLU 72 HA GLU 72 -3.901 -0.979 -3.518 523 HB2 GLU 72 1HB GLU 72 -3.580 -0.875 -5.866 524 HB3 GLU 72 2HB GLU 72 -1.821 -0.978 -5.736 525 HG2 GLU 72 1HG GLU 72 -1.888 -3.253 -5.029 526 HG3 GLU 72 2HG GLU 72 -3.645 -3.226 -4.811 527 H TYR 73 H TYR 73 -3.587 -2.572 -2.130 528 HA TYR 73 HA TYR 73 -0.842 -3.534 -1.497 529 HD1 TYR 73 HD1 TYR 73 0.301 -4.509 0.783 530 HD2 TYR 73 HD2 TYR 73 -3.862 -4.186 1.875 531 HE1 TYR 73 HE1 TYR 73 0.586 -6.358 2.396 532 HE2 TYR 73 HE2 TYR 73 -3.573 -6.028 3.492 533 HH TYR 73 HH TYR 73 -2.102 -7.436 4.529 534 HB2 TYR 73 1HB TYR 73 -1.293 -2.267 0.424 535 HB3 TYR 73 2HB TYR 73 -3.005 -2.631 0.396 536 H THR 74 H THR 74 -0.753 -5.677 -1.867 537 HA THR 74 HA THR 74 -3.309 -7.263 -1.750 538 HB THR 74 HB THR 74 -3.045 -8.293 -3.717 539 HG1 THR 74 HG1 THR 74 -0.292 -7.601 -3.777 540 HG21 THR 74 3HG2 THR 74 -2.677 -6.778 -5.517 541 HG22 THR 74 1HG2 THR 74 -1.534 -5.797 -4.578 542 HG23 THR 74 2HG2 THR 74 -3.254 -5.756 -4.195 543 H PHE 75 H PHE 75 -3.174 -9.113 -0.660 544 HA PHE 75 HA PHE 75 -0.477 -10.056 0.265 545 HD1 PHE 75 HD1 PHE 75 0.396 -10.674 2.746 546 HD2 PHE 75 HD2 PHE 75 -3.817 -11.580 2.761 547 HE1 PHE 75 HE1 PHE 75 0.838 -12.638 4.119 548 HE2 PHE 75 HE2 PHE 75 -3.366 -13.618 4.097 549 HZ PHE 75 HZ PHE 75 -1.015 -14.194 4.727 550 HB2 PHE 75 1HB PHE 75 -1.345 -8.960 2.093 551 HB3 PHE 75 2HB PHE 75 -2.991 -9.481 1.827 552 H SER 76 H SER 76 -0.160 -12.215 -0.195 553 HA SER 76 HA SER 76 -2.471 -14.041 -0.810 554 HG SER 76 HG SER 76 -1.416 -13.842 -4.081 555 HB2 SER 76 1HB SER 76 0.006 -13.408 -2.361 556 HB3 SER 76 2HB SER 76 -0.536 -15.083 -2.369 557 H ILE 77 H ILE 77 -2.345 -16.147 -0.127 558 HA ILE 77 HA ILE 77 0.108 -16.948 1.435 559 HB ILE 77 HB ILE 77 -2.706 -17.984 1.841 560 HG12 ILE 77 1HG1 ILE 77 -1.077 -15.849 3.180 561 HG13 ILE 77 2HG1 ILE 77 -2.766 -15.821 2.637 562 HG21 ILE 77 1HG2 ILE 77 -1.738 -19.214 3.723 563 HG22 ILE 77 2HG2 ILE 77 -0.860 -19.653 2.265 564 HG23 ILE 77 3HG2 ILE 77 -0.141 -18.497 3.412 565 HD11 ILE 77 3HD1 ILE 77 -3.306 -17.421 4.524 566 HD12 ILE 77 1HD1 ILE 77 -1.628 -17.185 5.102 567 HD13 ILE 77 2HD1 ILE 77 -2.746 -15.818 5.039 568 H MET 78 H MET 78 1.344 -18.450 0.599 569 HA MET 78 HA MET 78 0.194 -20.405 -1.329 570 HB2 MET 78 1HB MET 78 2.468 -20.437 -2.419 571 HB3 MET 78 2HB MET 78 1.473 -19.011 -2.709 572 HG2 MET 78 1HG MET 78 2.797 -17.632 -1.330 573 HG3 MET 78 2HG MET 78 3.569 -18.990 -0.524 574 HE1 MET 78 3HE MET 78 3.343 -19.267 -4.476 575 HE2 MET 78 1HE MET 78 3.104 -17.529 -4.169 576 HE3 MET 78 2HE MET 78 4.595 -18.106 -4.956 577 H ASP 79 H ASP 79 0.161 -22.354 -0.571 578 HA ASP 79 HA ASP 79 0.525 -24.248 0.596 579 HB2 ASP 79 1HB ASP 79 3.370 -23.578 -0.192 580 HB3 ASP 79 2HB ASP 79 2.850 -25.143 0.429 581 H GLU 80 H GLU 80 3.518 -22.680 1.733 582 HA GLU 80 HA GLU 80 2.613 -22.888 4.579 583 HB2 GLU 80 1HB GLU 80 5.455 -23.458 3.733 584 HB3 GLU 80 2HB GLU 80 4.712 -23.733 5.298 585 HG2 GLU 80 1HG GLU 80 4.229 -25.308 2.733 586 HG3 GLU 80 2HG GLU 80 5.203 -25.810 4.102 587 H PHE 81 H PHE 81 3.307 -20.672 2.286 588 HA PHE 81 HA PHE 81 4.824 -18.950 4.239 589 HD1 PHE 81 HD1 PHE 81 6.966 -20.760 3.685 590 HD2 PHE 81 HD2 PHE 81 5.743 -19.777 -0.309 591 HE1 PHE 81 HE1 PHE 81 8.157 -22.772 2.825 592 HE2 PHE 81 HE2 PHE 81 6.869 -21.785 -1.184 593 HZ PHE 81 HZ PHE 81 8.111 -23.298 0.392 594 HB2 PHE 81 1HB PHE 81 5.181 -18.327 1.327 595 HB3 PHE 81 2HB PHE 81 6.271 -18.214 2.642 596 H GLN 82 H GLN 82 4.610 -16.637 3.593 597 HA GLN 82 HA GLN 82 1.905 -15.916 2.496 598 HB2 GLN 82 1HB GLN 82 3.193 -14.151 4.518 599 HB3 GLN 82 2HB GLN 82 1.480 -14.533 4.205 600 HG2 GLN 82 1HG GLN 82 1.766 -16.685 5.295 601 HG3 GLN 82 2HG GLN 82 3.401 -16.173 5.799 602 HE21 GLN 82 1HE2 GLN 82 0.399 -16.492 6.952 603 HE22 GLN 82 2HE2 GLN 82 0.400 -15.223 8.154 604 H GLU 83 H GLU 83 1.836 -14.135 1.233 605 HA GLU 83 HA GLU 83 4.401 -12.822 0.422 606 HB2 GLU 83 1HB GLU 83 2.066 -13.893 -1.202 607 HB3 GLU 83 2HB GLU 83 2.954 -12.497 -1.785 608 HG2 GLU 83 1HG GLU 83 5.051 -13.751 -1.714 609 HG3 GLU 83 2HG GLU 83 4.165 -15.217 -1.225 610 H TYR 84 H TYR 84 4.404 -10.730 0.599 611 HA TYR 84 HA TYR 84 1.844 -9.174 0.899 612 HD1 TYR 84 HD1 TYR 84 4.412 -10.955 3.364 613 HD2 TYR 84 HD2 TYR 84 1.284 -7.992 3.605 614 HE1 TYR 84 HE1 TYR 84 3.466 -12.124 5.342 615 HE2 TYR 84 HE2 TYR 84 0.394 -9.101 5.639 616 HH TYR 84 HH TYR 84 1.872 -12.127 6.929 617 HB2 TYR 84 1HB TYR 84 4.586 -8.749 2.130 618 HB3 TYR 84 2HB TYR 84 3.269 -7.599 2.201 619 H THR 85 H THR 85 1.577 -7.622 -0.657 620 HA THR 85 HA THR 85 3.999 -6.429 -1.871 621 HB THR 85 HB THR 85 3.537 -6.817 -4.042 622 HG1 THR 85 HG1 THR 85 1.513 -7.331 -4.864 623 HG21 THR 85 3HG2 THR 85 3.902 -9.100 -3.050 624 HG22 THR 85 1HG2 THR 85 2.903 -9.134 -4.503 625 HG23 THR 85 2HG2 THR 85 2.145 -9.296 -2.904 626 H MET 86 H MET 86 3.795 -4.337 -2.364 627 HA MET 86 HA MET 86 1.166 -2.939 -2.148 628 HB2 MET 86 1HB MET 86 2.135 -2.764 0.010 629 HB3 MET 86 2HB MET 86 3.719 -2.280 -0.636 630 HG2 MET 86 1HG MET 86 2.605 -0.214 -1.533 631 HG3 MET 86 2HG MET 86 1.100 -0.747 -0.773 632 HE1 MET 86 3HE MET 86 4.893 0.909 1.277 633 HE2 MET 86 1HE MET 86 4.907 -0.287 -0.039 634 HE3 MET 86 2HE MET 86 4.342 1.363 -0.351 635 H LEU 87 H LEU 87 0.967 -1.246 -3.379 636 HA LEU 87 HA LEU 87 3.155 -0.139 -5.065 637 HG LEU 87 HG LEU 87 1.997 0.575 -7.391 638 HB2 LEU 87 1HB LEU 87 2.163 -2.185 -6.247 639 HB3 LEU 87 2HB LEU 87 0.627 -1.341 -6.244 640 HD11 LEU 87 1HD1 LEU 87 4.149 -0.604 -7.141 641 HD12 LEU 87 2HD1 LEU 87 3.780 -0.234 -8.837 642 HD13 LEU 87 3HD1 LEU 87 3.565 -1.890 -8.208 643 HD21 LEU 87 3HD2 LEU 87 0.110 -0.583 -8.451 644 HD22 LEU 87 1HD2 LEU 87 1.173 -1.939 -8.892 645 HD23 LEU 87 2HD2 LEU 87 1.427 -0.327 -9.610 646 H CYS 88 H CYS 88 2.879 1.906 -4.377 647 HA CYS 88 HA CYS 88 0.367 3.347 -4.950 648 HB2 CYS 88 1HB CYS 88 0.301 2.867 -2.550 649 HB3 CYS 88 2HB CYS 88 1.944 3.403 -2.364 650 H LEU 89 H LEU 89 0.739 5.311 -5.829 651 HA LEU 89 HA LEU 89 3.304 6.075 -6.871 652 HG LEU 89 HG LEU 89 2.364 9.258 -6.748 653 HB2 LEU 89 1HB LEU 89 1.289 6.707 -8.019 654 HB3 LEU 89 2HB LEU 89 0.634 7.486 -6.587 655 HD11 LEU 89 1HD1 LEU 89 3.042 8.056 -9.449 656 HD12 LEU 89 2HD1 LEU 89 4.079 7.950 -8.016 657 HD13 LEU 89 3HD1 LEU 89 3.692 9.540 -8.713 658 HD21 LEU 89 3HD2 LEU 89 1.521 10.372 -8.785 659 HD22 LEU 89 1HD2 LEU 89 0.201 9.682 -7.820 660 HD23 LEU 89 2HD2 LEU 89 0.760 8.858 -9.301 661 H LEU 90 H LEU 90 1.651 6.916 -3.864 662 HA LEU 90 HA LEU 90 3.720 8.950 -3.151 663 HG LEU 90 HG LEU 90 2.463 8.683 -0.085 664 HB2 LEU 90 1HB LEU 90 1.426 9.637 -2.808 665 HB3 LEU 90 2HB LEU 90 1.016 8.130 -2.019 666 HD11 LEU 90 1HD1 LEU 90 4.116 10.099 -1.323 667 HD12 LEU 90 2HD1 LEU 90 3.499 10.793 0.163 668 HD13 LEU 90 3HD1 LEU 90 2.886 11.387 -1.389 669 HD21 LEU 90 3HD2 LEU 90 0.513 10.898 -0.792 670 HD22 LEU 90 1HD2 LEU 90 1.136 10.499 0.833 671 HD23 LEU 90 2HD2 LEU 90 0.123 9.334 -0.037 672 H CYS 91 H CYS 91 1.989 6.235 -1.518 673 HA CYS 91 HA CYS 91 3.841 6.132 0.548 674 HB2 CYS 91 1HB CYS 91 1.812 4.096 -0.405 675 HB3 CYS 91 2HB CYS 91 2.613 4.001 1.153 676 H GLY 92 H GLY 92 3.713 4.195 -2.423 677 HA2 GLY 92 1HA GLY 92 6.098 3.829 -3.218 678 HA3 GLY 92 2HA GLY 92 6.382 3.051 -1.683 679 H LYS 93 H LYS 93 7.186 1.755 -3.714 680 HA LYS 93 HA LYS 93 5.247 -0.476 -4.104 681 HB2 LYS 93 1HB LYS 93 5.792 0.442 -6.224 682 HB3 LYS 93 2HB LYS 93 7.495 0.490 -5.870 683 HG2 LYS 93 1HG LYS 93 7.542 -2.038 -5.751 684 HG3 LYS 93 2HG LYS 93 5.820 -2.050 -6.159 685 HD2 LYS 93 1HD LYS 93 6.394 -0.803 -8.297 686 HD3 LYS 93 2HD LYS 93 8.101 -1.003 -7.911 687 HE2 LYS 93 1HE LYS 93 6.094 -3.283 -8.269 688 HE3 LYS 93 2HE LYS 93 7.154 -2.678 -9.542 689 HZ1 LYS 93 3HZ LYS 93 9.071 -3.325 -8.183 690 HZ2 LYS 93 1HZ LYS 93 8.123 -4.614 -8.486 691 HZ3 LYS 93 2HZ LYS 93 8.093 -3.921 -7.011 692 H ALA 94 H ALA 94 5.609 -2.148 -2.888 693 HA ALA 94 HA ALA 94 8.357 -3.004 -2.305 694 HB1 ALA 94 3HB ALA 94 7.864 -3.103 0.140 695 HB2 ALA 94 1HB ALA 94 7.724 -1.441 -0.464 696 HB3 ALA 94 2HB ALA 94 6.263 -2.408 -0.165 697 H GLU 95 H GLU 95 8.558 -5.169 -1.405 698 HA GLU 95 HA GLU 95 6.195 -6.889 -1.361 699 HB2 GLU 95 1HB GLU 95 6.772 -6.899 -3.741 700 HB3 GLU 95 2HB GLU 95 8.460 -7.247 -3.353 701 HG2 GLU 95 1HG GLU 95 7.844 -9.472 -2.503 702 HG3 GLU 95 2HG GLU 95 6.139 -9.128 -2.791 703 H ASP 96 H ASP 96 6.415 -8.603 -0.026 704 HA ASP 96 HA ASP 96 9.054 -9.432 0.988 705 HB2 ASP 96 1HB ASP 96 7.947 -7.635 2.534 706 HB3 ASP 96 2HB ASP 96 6.730 -8.843 2.871 707 H THR 97 H THR 97 9.048 -11.575 1.919 708 HA THR 97 HA THR 97 6.496 -13.044 1.785 709 HB THR 97 HB THR 97 8.944 -14.476 0.816 710 HG1 THR 97 HG1 THR 97 8.733 -12.713 -0.584 711 HG21 THR 97 3HG2 THR 97 6.877 -15.756 1.353 712 HG22 THR 97 1HG2 THR 97 7.273 -15.842 -0.377 713 HG23 THR 97 2HG2 THR 97 5.989 -14.752 0.194 714 H ILE 98 H ILE 98 6.164 -14.422 3.458 715 HA ILE 98 HA ILE 98 8.393 -14.831 5.433 716 HB ILE 98 HB ILE 98 5.462 -14.649 6.179 717 HG12 ILE 98 1HG1 ILE 98 7.459 -12.355 6.075 718 HG13 ILE 98 2HG1 ILE 98 5.942 -12.500 5.161 719 HG21 ILE 98 1HG2 ILE 98 8.013 -14.230 7.783 720 HG22 ILE 98 2HG2 ILE 98 6.352 -14.284 8.422 721 HG23 ILE 98 3HG2 ILE 98 7.060 -15.734 7.738 722 HD11 ILE 98 3HD1 ILE 98 4.700 -12.444 7.374 723 HD12 ILE 98 1HD1 ILE 98 6.245 -12.004 8.143 724 HD13 ILE 98 2HD1 ILE 98 5.537 -10.944 6.918 725 H SER 99 H SER 99 8.793 -16.931 5.952 726 HA SER 99 HA SER 99 6.935 -19.046 5.025 727 HG SER 99 HG SER 99 10.753 -19.654 6.270 728 HB2 SER 99 1HB SER 99 8.678 -20.606 5.865 729 HB3 SER 99 2HB SER 99 9.194 -19.515 4.569 730 H ILE 100 H ILE 100 5.522 -20.111 6.318 731 HA ILE 100 HA ILE 100 5.592 -19.586 9.242 732 HB ILE 100 HB ILE 100 3.151 -19.105 9.199 733 HG12 ILE 100 1HG1 ILE 100 2.153 -18.183 7.136 734 HG13 ILE 100 2HG1 ILE 100 3.466 -18.853 6.181 735 HG21 ILE 100 1HG2 ILE 100 4.793 -17.131 7.594 736 HG22 ILE 100 2HG2 ILE 100 3.389 -16.799 8.625 737 HG23 ILE 100 3HG2 ILE 100 4.907 -17.359 9.350 738 HD11 ILE 100 3HD1 ILE 100 1.402 -20.198 6.067 739 HD12 ILE 100 1HD1 ILE 100 2.688 -21.149 6.814 740 HD13 ILE 100 2HD1 ILE 100 1.422 -20.417 7.824 741 H LEU 101 H LEU 101 3.593 -20.703 10.244 742 HA LEU 101 HA LEU 101 3.486 -23.600 9.520 743 HG LEU 101 HG LEU 101 5.049 -24.777 11.051 744 HB2 LEU 101 1HB LEU 101 3.976 -22.136 12.157 745 HB3 LEU 101 2HB LEU 101 3.108 -23.645 12.177 746 HD11 LEU 101 1HD1 LEU 101 6.288 -22.924 10.077 747 HD12 LEU 101 2HD1 LEU 101 7.285 -23.660 11.321 748 HD13 LEU 101 3HD1 LEU 101 6.445 -22.131 11.663 749 HD21 LEU 101 3HD2 LEU 101 4.633 -24.888 13.482 750 HD22 LEU 101 1HD2 LEU 101 5.584 -23.404 13.720 751 HD23 LEU 101 2HD2 LEU 101 6.366 -24.889 13.129 752 HA PRO 102 HA PRO 102 -0.903 -23.134 9.550 753 HB2 PRO 102 1HB PRO 102 -1.907 -25.224 11.070 754 HB3 PRO 102 2HB PRO 102 -1.247 -25.367 9.412 755 HG2 PRO 102 1HG PRO 102 0.192 -25.859 12.032 756 HG3 PRO 102 2HG PRO 102 0.152 -26.904 10.574 757 HD2 PRO 102 1HD PRO 102 2.231 -25.264 11.017 758 HD3 PRO 102 2HD PRO 102 1.568 -25.422 9.368 759 H ASP 103 H ASP 103 0.703 -22.905 12.591 760 HA ASP 103 HA ASP 103 -1.554 -21.937 14.178 761 HB2 ASP 103 1HB ASP 103 1.466 -21.856 14.585 762 HB3 ASP 103 2HB ASP 103 0.284 -21.343 15.786 763 H ASP 104 H ASP 104 0.054 -20.533 11.615 764 HA ASP 104 HA ASP 104 0.482 -18.497 10.819 765 HB2 ASP 104 1HB ASP 104 -1.991 -18.615 10.846 766 HB3 ASP 104 2HB ASP 104 -2.007 -17.693 12.351 767 HA PRO 105 HA PRO 105 2.461 -16.750 14.717 768 HB2 PRO 105 1HB PRO 105 5.056 -17.510 14.403 769 HB3 PRO 105 2HB PRO 105 3.805 -18.615 15.049 770 HG2 PRO 105 1HG PRO 105 4.800 -18.423 12.179 771 HG3 PRO 105 2HG PRO 105 4.668 -19.888 13.206 772 HD2 PRO 105 1HD PRO 105 2.699 -19.199 11.449 773 HD3 PRO 105 2HD PRO 105 2.329 -19.915 13.043 774 H ARG 106 H ARG 106 3.192 -16.471 11.322 775 HA ARG 106 HA ARG 106 4.279 -14.948 9.992 776 HE ARG 106 HE ARG 106 -0.726 -14.415 9.999 777 HB2 ARG 106 1HB ARG 106 2.982 -12.908 11.829 778 HB3 ARG 106 2HB ARG 106 3.420 -12.729 10.120 779 HG2 ARG 106 1HG ARG 106 1.849 -14.745 9.705 780 HG3 ARG 106 2HG ARG 106 1.233 -14.439 11.334 781 HD2 ARG 106 1HD ARG 106 0.603 -12.139 10.665 782 HD3 ARG 106 2HD ARG 106 1.233 -12.450 9.035 783 HH11 ARG 106 1HH1 ARG 106 -0.343 -11.695 7.799 784 HH12 ARG 106 2HH1 ARG 106 -1.954 -11.910 7.177 785 HH21 ARG 106 1HH2 ARG 106 -2.651 -14.583 9.271 786 HH22 ARG 106 2HH2 ARG 106 -3.262 -13.559 7.971 787 H GLN 107 H GLN 107 6.076 -15.924 11.866 788 HA GLN 107 HA GLN 107 8.095 -15.569 12.906 789 HB2 GLN 107 1HB GLN 107 8.402 -13.770 10.472 790 HB3 GLN 107 2HB GLN 107 9.733 -14.361 11.457 791 HG2 GLN 107 1HG GLN 107 7.807 -16.126 9.888 792 HG3 GLN 107 2HG GLN 107 9.397 -15.636 9.333 793 HE21 GLN 107 1HE2 GLN 107 8.562 -18.355 9.600 794 HE22 GLN 107 2HE2 GLN 107 9.567 -19.083 10.860 Start of MODEL 10 1 HA CYS 2 HA CYS 2 -1.288 14.880 -10.703 2 H1 CYS 2 1H CYS 2 -1.153 15.625 -7.957 3 HB2 CYS 2 1HB CYS 2 -0.129 17.290 -10.775 4 HB3 CYS 2 2HB CYS 2 -1.829 17.042 -10.499 5 H GLY 3 H GLY 3 0.718 13.630 -8.712 6 HA2 GLY 3 1HA GLY 3 2.679 12.429 -8.939 7 HA3 GLY 3 2HA GLY 3 2.871 12.990 -10.592 8 H ASP 4 H ASP 4 2.720 15.864 -9.847 9 HA ASP 4 HA ASP 4 5.450 16.382 -8.949 10 HB2 ASP 4 1HB ASP 4 3.006 18.110 -9.449 11 HB3 ASP 4 2HB ASP 4 4.479 18.770 -8.736 12 H CYS 5 H CYS 5 2.432 15.715 -7.355 13 HA CYS 5 HA CYS 5 2.787 16.909 -4.845 14 HB2 CYS 5 1HB CYS 5 1.422 14.263 -5.559 15 HB3 CYS 5 2HB CYS 5 1.270 15.094 -4.052 16 H VAL 6 H VAL 6 4.373 14.068 -6.235 17 HA VAL 6 HA VAL 6 5.348 13.176 -3.540 18 HB VAL 6 HB VAL 6 5.633 11.015 -4.368 19 HG11 VAL 6 1HG1 VAL 6 2.875 12.015 -5.181 20 HG12 VAL 6 2HG1 VAL 6 3.310 10.357 -4.771 21 HG13 VAL 6 3HG1 VAL 6 3.402 11.617 -3.534 22 HG21 VAL 6 3HG2 VAL 6 4.960 10.185 -6.523 23 HG22 VAL 6 1HG2 VAL 6 4.467 11.795 -7.060 24 HG23 VAL 6 2HG2 VAL 6 6.186 11.424 -6.783 25 H GLU 7 H GLU 7 7.542 13.024 -3.124 26 HA GLU 7 HA GLU 7 9.439 14.440 -4.747 27 HB2 GLU 7 1HB GLU 7 9.716 14.335 -2.357 28 HB3 GLU 7 2HB GLU 7 9.775 12.588 -2.349 29 HG2 GLU 7 1HG GLU 7 11.894 12.552 -3.436 30 HG3 GLU 7 2HG GLU 7 11.823 14.287 -3.792 31 H LYS 8 H LYS 8 8.698 10.989 -4.387 32 HA LYS 8 HA LYS 8 10.058 10.385 -6.972 33 HB2 LYS 8 1HB LYS 8 10.320 8.829 -4.355 34 HB3 LYS 8 2HB LYS 8 10.730 8.162 -5.939 35 HG2 LYS 8 1HG LYS 8 12.412 9.966 -6.271 36 HG3 LYS 8 2HG LYS 8 12.042 10.592 -4.652 37 HD2 LYS 8 1HD LYS 8 12.738 8.437 -3.646 38 HD3 LYS 8 2HD LYS 8 13.122 7.808 -5.266 39 HE2 LYS 8 1HE LYS 8 14.773 9.641 -5.581 40 HE3 LYS 8 2HE LYS 8 14.392 10.266 -3.970 41 HZ1 LYS 8 3HZ LYS 8 16.376 8.867 -3.931 42 HZ2 LYS 8 1HZ LYS 8 15.559 7.587 -4.525 43 HZ3 LYS 8 2HZ LYS 8 15.207 8.166 -3.036 44 H GLU 9 H GLU 9 8.995 8.892 -8.200 45 HA GLU 9 HA GLU 9 6.181 8.280 -7.551 46 HB2 GLU 9 1HB GLU 9 8.012 7.839 -9.944 47 HB3 GLU 9 2HB GLU 9 6.426 7.077 -9.862 48 HG2 GLU 9 1HG GLU 9 5.261 8.964 -10.182 49 HG3 GLU 9 2HG GLU 9 6.415 10.012 -9.360 50 H TYR 10 H TYR 10 5.565 6.446 -6.538 51 HA TYR 10 HA TYR 10 5.709 4.454 -5.434 52 HD1 TYR 10 HD1 TYR 10 5.293 5.379 -9.170 53 HD2 TYR 10 HD2 TYR 10 3.714 2.046 -6.904 54 HE1 TYR 10 HE1 TYR 10 3.080 5.765 -10.163 55 HE2 TYR 10 HE2 TYR 10 1.460 2.485 -7.875 56 HH TYR 10 HH TYR 10 0.223 3.742 -9.338 57 HB2 TYR 10 1HB TYR 10 6.784 3.447 -8.073 58 HB3 TYR 10 2HB TYR 10 6.018 2.509 -6.823 59 HA PRO 11 HA PRO 11 10.291 4.830 -4.504 60 HB2 PRO 11 1HB PRO 11 10.011 5.525 -1.857 61 HB3 PRO 11 2HB PRO 11 9.968 6.727 -3.201 62 HG2 PRO 11 1HG PRO 11 7.606 5.395 -1.837 63 HG3 PRO 11 2HG PRO 11 7.911 7.142 -2.073 64 HD2 PRO 11 1HD PRO 11 6.371 5.816 -3.823 65 HD3 PRO 11 2HD PRO 11 7.596 6.934 -4.453 66 H ASN 12 H ASN 12 11.512 3.144 -3.445 67 HA ASN 12 HA ASN 12 9.913 0.825 -2.581 68 HB2 ASN 12 1HB ASN 12 12.946 1.328 -2.621 69 HB3 ASN 12 2HB ASN 12 12.191 -0.201 -2.196 70 HD21 ASN 12 1HD2 ASN 12 13.360 1.683 -4.802 71 HD22 ASN 12 2HD2 ASN 12 12.755 0.638 -6.080 72 H ARG 13 H ARG 13 9.789 0.003 -0.532 73 HA ARG 13 HA ARG 13 10.508 1.851 1.739 74 HE ARG 13 HE ARG 13 9.105 3.849 3.339 75 HB2 ARG 13 1HB ARG 13 8.025 0.116 1.431 76 HB3 ARG 13 2HB ARG 13 8.390 1.192 2.778 77 HG2 ARG 13 1HG ARG 13 7.864 2.065 -0.075 78 HG3 ARG 13 2HG ARG 13 6.756 2.159 1.285 79 HD2 ARG 13 1HD ARG 13 9.405 3.641 1.055 80 HD3 ARG 13 2HD ARG 13 7.831 4.353 0.787 81 HH11 ARG 13 1HH1 ARG 13 5.933 4.262 1.902 82 HH12 ARG 13 2HH1 ARG 13 5.176 4.518 3.455 83 HH21 ARG 13 1HH2 ARG 13 8.078 4.218 5.265 84 HH22 ARG 13 2HH2 ARG 13 6.368 4.522 5.297 85 H GLY 14 H GLY 14 12.119 -0.412 0.838 86 HA2 GLY 14 1HA GLY 14 13.328 -2.164 1.775 87 HA3 GLY 14 2HA GLY 14 12.951 -1.434 3.344 88 H ASN 15 H ASN 15 10.701 -2.762 1.012 89 HA ASN 15 HA ASN 15 9.357 -4.517 0.844 90 HB2 ASN 15 1HB ASN 15 10.592 -5.782 3.322 91 HB3 ASN 15 2HB ASN 15 9.567 -6.530 2.133 92 HD21 ASN 15 1HD2 ASN 15 11.330 -8.101 2.282 93 HD22 ASN 15 2HD2 ASN 15 12.666 -7.889 1.137 94 H THR 16 H THR 16 8.906 -2.147 2.994 95 HA THR 16 HA THR 16 6.906 -3.234 4.798 96 HB THR 16 HB THR 16 7.467 -0.384 3.900 97 HG1 THR 16 HG1 THR 16 9.201 -1.032 4.951 98 HG21 THR 16 3HG2 THR 16 6.423 0.241 6.093 99 HG22 THR 16 1HG2 THR 16 5.800 -1.422 6.207 100 HG23 THR 16 2HG2 THR 16 5.301 -0.347 4.867 101 H CYS 17 H CYS 17 4.859 -3.947 4.182 102 HA CYS 17 HA CYS 17 3.500 -2.573 1.908 103 HG CYS 17 HG CYS 17 5.744 -5.041 1.858 104 HB2 CYS 17 1HB CYS 17 3.329 -5.484 2.768 105 HB3 CYS 17 2HB CYS 17 2.464 -4.745 1.414 106 H LEU 18 H LEU 18 1.972 -1.280 2.751 107 HA LEU 18 HA LEU 18 0.329 -2.147 5.109 108 HG LEU 18 HG LEU 18 0.977 -0.536 7.141 109 HB2 LEU 18 1HB LEU 18 1.686 0.428 4.351 110 HB3 LEU 18 2HB LEU 18 0.165 0.522 5.201 111 HD11 LEU 18 1HD1 LEU 18 2.362 -2.321 6.470 112 HD12 LEU 18 2HD1 LEU 18 3.439 -1.217 7.321 113 HD13 LEU 18 3HD1 LEU 18 3.433 -1.254 5.540 114 HD21 LEU 18 3HD2 LEU 18 2.759 1.000 7.805 115 HD22 LEU 18 1HD2 LEU 18 1.588 1.846 6.780 116 HD23 LEU 18 2HD2 LEU 18 3.150 1.330 6.102 117 H GLU 19 H GLU 19 -1.720 -1.675 5.264 118 HA GLU 19 HA GLU 19 -3.296 -1.037 2.823 119 HB2 GLU 19 1HB GLU 19 -5.076 -2.197 3.865 120 HB3 GLU 19 2HB GLU 19 -3.672 -3.213 4.034 121 HG2 GLU 19 1HG GLU 19 -4.825 -1.478 6.248 122 HG3 GLU 19 2HG GLU 19 -5.203 -3.164 5.992 123 H ASN 20 H ASN 20 -2.039 0.669 5.341 124 HA ASN 20 HA ASN 20 -4.277 2.645 5.431 125 HB2 ASN 20 1HB ASN 20 -2.826 1.360 7.794 126 HB3 ASN 20 2HB ASN 20 -3.726 2.858 7.946 127 HD21 ASN 20 1HD2 ASN 20 -4.058 -0.174 8.835 128 HD22 ASN 20 2HD2 ASN 20 -5.792 -0.358 8.607 129 H GLY 21 H GLY 21 -3.685 4.741 6.160 130 HA2 GLY 21 1HA GLY 21 -2.262 6.465 6.816 131 HA3 GLY 21 2HA GLY 21 -0.856 5.457 6.527 132 H SER 22 H SER 22 -0.237 7.638 5.817 133 HA SER 22 HA SER 22 -0.240 7.914 2.870 134 HG SER 22 HG SER 22 -2.741 8.985 3.877 135 HB2 SER 22 1HB SER 22 -1.020 10.098 4.851 136 HB3 SER 22 2HB SER 22 -0.380 10.455 3.249 137 H PHE 23 H PHE 23 1.851 8.309 2.207 138 HA PHE 23 HA PHE 23 3.889 8.478 4.280 139 HD1 PHE 23 HD1 PHE 23 5.908 8.058 4.650 140 HD2 PHE 23 HD2 PHE 23 6.215 7.179 0.438 141 HE1 PHE 23 HE1 PHE 23 8.330 7.660 4.898 142 HE2 PHE 23 HE2 PHE 23 8.653 6.821 0.690 143 HZ PHE 23 HZ PHE 23 9.731 7.148 2.923 144 HB2 PHE 23 1HB PHE 23 3.920 6.877 2.419 145 HB3 PHE 23 2HB PHE 23 4.195 8.179 1.287 146 H LEU 24 H LEU 24 3.333 10.601 4.997 147 HA LEU 24 HA LEU 24 3.605 12.934 3.547 148 HG LEU 24 HG LEU 24 2.010 13.686 6.829 149 HB2 LEU 24 1HB LEU 24 3.907 12.259 6.474 150 HB3 LEU 24 2HB LEU 24 4.281 13.883 5.943 151 HD11 LEU 24 1HD1 LEU 24 2.571 15.437 5.166 152 HD12 LEU 24 2HD1 LEU 24 0.869 14.935 5.112 153 HD13 LEU 24 3HD1 LEU 24 1.988 14.360 3.871 154 HD21 LEU 24 3HD2 LEU 24 1.312 12.015 4.397 155 HD22 LEU 24 1HD2 LEU 24 0.200 12.645 5.623 156 HD23 LEU 24 2HD2 LEU 24 1.402 11.434 6.085 157 H LEU 25 H LEU 25 6.273 10.972 4.608 158 HA LEU 25 HA LEU 25 8.329 13.013 4.312 159 HG LEU 25 HG LEU 25 8.085 11.411 6.644 160 HB2 LEU 25 1HB LEU 25 8.276 10.008 4.550 161 HB3 LEU 25 2HB LEU 25 9.785 10.806 4.175 162 HD11 LEU 25 1HD1 LEU 25 10.596 9.708 6.352 163 HD12 LEU 25 2HD1 LEU 25 8.958 9.118 6.718 164 HD13 LEU 25 3HD1 LEU 25 9.804 10.142 7.885 165 HD21 LEU 25 3HD2 LEU 25 10.170 12.473 7.494 166 HD22 LEU 25 1HD2 LEU 25 9.558 13.302 6.064 167 HD23 LEU 25 2HD2 LEU 25 10.945 12.199 5.918 168 H ASN 26 H ASN 26 6.550 11.125 1.993 169 HA ASN 26 HA ASN 26 8.512 11.791 -0.186 170 HB2 ASN 26 1HB ASN 26 7.724 9.435 0.045 171 HB3 ASN 26 2HB ASN 26 6.073 9.959 -0.223 172 HD21 ASN 26 1HD2 ASN 26 5.887 8.713 -2.233 173 HD22 ASN 26 2HD2 ASN 26 6.788 9.227 -3.666 174 H PHE 27 H PHE 27 5.195 12.336 1.015 175 HA PHE 27 HA PHE 27 4.296 13.852 -1.253 176 HD1 PHE 27 HD1 PHE 27 2.085 14.393 -1.901 177 HD2 PHE 27 HD2 PHE 27 2.037 15.859 2.142 178 HE1 PHE 27 HE1 PHE 27 0.270 16.030 -2.520 179 HE2 PHE 27 HE2 PHE 27 0.237 17.460 1.530 180 HZ PHE 27 HZ PHE 27 -0.662 17.513 -0.777 181 HB2 PHE 27 1HB PHE 27 2.762 12.946 0.427 182 HB3 PHE 27 2HB PHE 27 3.408 14.035 1.638 183 H THR 28 H THR 28 5.240 15.639 -1.985 184 HA THR 28 HA THR 28 6.744 17.490 -0.185 185 HB THR 28 HB THR 28 7.424 18.596 -2.322 186 HG1 THR 28 HG1 THR 28 6.924 17.570 -4.241 187 HG21 THR 28 3HG2 THR 28 8.807 16.794 -1.319 188 HG22 THR 28 1HG2 THR 28 8.913 16.821 -3.090 189 HG23 THR 28 2HG2 THR 28 7.907 15.600 -2.279 190 H GLY 29 H GLY 29 3.598 17.173 -0.974 191 HA2 GLY 29 1HA GLY 29 1.898 18.733 -0.405 192 HA3 GLY 29 2HA GLY 29 2.954 20.084 -0.766 193 H CYS 30 H CYS 30 0.302 19.507 -1.833 194 HA CYS 30 HA CYS 30 0.182 18.354 -4.340 195 HB2 CYS 30 1HB CYS 30 -1.664 19.280 -2.745 196 HB3 CYS 30 2HB CYS 30 -1.391 20.817 -3.519 197 H ALA 31 H ALA 31 -0.418 19.412 -6.311 198 HA ALA 31 HA ALA 31 1.103 21.904 -6.899 199 HB1 ALA 31 3HB ALA 31 2.280 19.742 -7.750 200 HB2 ALA 31 1HB ALA 31 1.044 19.835 -9.044 201 HB3 ALA 31 2HB ALA 31 2.148 21.181 -8.802 202 H VAL 32 H VAL 32 -1.921 20.287 -7.056 203 HA VAL 32 HA VAL 32 -2.959 21.937 -9.230 204 HB VAL 32 HB VAL 32 -4.295 20.165 -7.150 205 HG11 VAL 32 1HG1 VAL 32 -6.474 20.547 -8.219 206 HG12 VAL 32 2HG1 VAL 32 -5.880 22.016 -7.453 207 HG13 VAL 32 3HG1 VAL 32 -5.770 21.846 -9.221 208 HG21 VAL 32 3HG2 VAL 32 -3.315 19.061 -9.137 209 HG22 VAL 32 1HG2 VAL 32 -5.072 18.909 -9.110 210 HG23 VAL 32 2HG2 VAL 32 -4.297 20.086 -10.202 211 H CYS 33 H CYS 33 -2.717 22.118 -5.703 212 HA CYS 33 HA CYS 33 -3.585 24.974 -5.760 213 HB2 CYS 33 1HB CYS 33 -4.649 24.607 -3.659 214 HB3 CYS 33 2HB CYS 33 -5.288 23.440 -4.829 215 H SER 34 H SER 34 -1.107 22.801 -4.711 216 HA SER 34 HA SER 34 0.964 23.201 -3.865 217 HG SER 34 HG SER 34 2.451 25.156 -2.693 218 HB2 SER 34 1HB SER 34 0.665 25.531 -4.874 219 HB3 SER 34 2HB SER 34 0.413 26.073 -3.205 220 H LYS 35 H LYS 35 -1.515 22.566 -2.038 221 HA LYS 35 HA LYS 35 -0.556 23.508 0.617 222 HB2 LYS 35 1HB LYS 35 -2.857 21.783 -0.346 223 HB3 LYS 35 2HB LYS 35 -2.444 21.902 1.354 224 HG2 LYS 35 1HG LYS 35 -2.547 24.592 0.210 225 HG3 LYS 35 2HG LYS 35 -4.030 23.711 -0.161 226 HD2 LYS 35 1HD LYS 35 -4.418 23.206 2.164 227 HD3 LYS 35 2HD LYS 35 -2.837 23.899 2.620 228 HE2 LYS 35 1HE LYS 35 -3.606 26.115 1.710 229 HE3 LYS 35 2HE LYS 35 -5.189 25.407 1.369 230 HZ1 LYS 35 3HZ LYS 35 -3.966 25.648 4.070 231 HZ2 LYS 35 1HZ LYS 35 -5.431 24.987 3.764 232 HZ3 LYS 35 2HZ LYS 35 -5.177 26.578 3.497 233 H ARG 36 H ARG 36 0.269 22.261 2.260 234 HA ARG 36 HA ARG 36 1.102 19.451 1.673 235 HE ARG 36 HE ARG 36 5.283 17.432 2.075 236 HB2 ARG 36 1HB ARG 36 3.004 21.060 1.544 237 HB3 ARG 36 2HB ARG 36 2.800 21.353 3.281 238 HG2 ARG 36 1HG ARG 36 3.350 19.079 3.828 239 HG3 ARG 36 2HG ARG 36 3.068 18.531 2.161 240 HD2 ARG 36 1HD ARG 36 5.005 19.842 1.422 241 HD3 ARG 36 2HD ARG 36 5.346 20.281 3.102 242 HH11 ARG 36 1HH1 ARG 36 6.971 19.769 4.082 243 HH12 ARG 36 2HH1 ARG 36 8.050 18.549 4.699 244 HH21 ARG 36 1HH2 ARG 36 6.568 15.969 2.947 245 HH22 ARG 36 2HH2 ARG 36 7.836 16.437 4.051 246 H ASP 37 H ASP 37 1.398 18.151 3.699 247 HA ASP 37 HA ASP 37 0.365 17.090 5.367 248 HB2 ASP 37 1HB ASP 37 0.308 18.076 7.497 249 HB3 ASP 37 2HB ASP 37 1.789 18.468 6.650 250 H PHE 38 H PHE 38 -1.308 18.073 3.397 251 HA PHE 38 HA PHE 38 -4.012 18.097 4.649 252 HD1 PHE 38 HD1 PHE 38 -2.512 20.512 5.327 253 HD2 PHE 38 HD2 PHE 38 -5.982 20.900 2.813 254 HE1 PHE 38 HE1 PHE 38 -3.308 22.396 6.716 255 HE2 PHE 38 HE2 PHE 38 -6.775 22.801 4.182 256 HZ PHE 38 HZ PHE 38 -5.447 23.543 6.167 257 HB2 PHE 38 1HB PHE 38 -2.830 19.787 2.492 258 HB3 PHE 38 2HB PHE 38 -4.479 19.263 2.296 259 H MET 39 H MET 39 -4.534 15.993 4.482 260 HA MET 39 HA MET 39 -5.357 15.093 1.893 261 HB2 MET 39 1HB MET 39 -4.181 12.826 1.986 262 HB3 MET 39 2HB MET 39 -3.307 14.187 1.381 263 HG2 MET 39 1HG MET 39 -2.893 13.939 4.275 264 HG3 MET 39 2HG MET 39 -2.610 12.397 3.489 265 HE1 MET 39 3HE MET 39 -0.902 11.954 1.619 266 HE2 MET 39 1HE MET 39 -1.317 13.332 0.575 267 HE3 MET 39 2HE MET 39 0.361 13.086 1.091 268 H LEU 40 H LEU 40 -6.637 13.428 1.758 269 HA LEU 40 HA LEU 40 -7.928 12.123 4.114 270 HG LEU 40 HG LEU 40 -10.462 14.752 3.143 271 HB2 LEU 40 1HB LEU 40 -9.028 13.686 1.754 272 HB3 LEU 40 2HB LEU 40 -9.933 12.341 2.322 273 HD11 LEU 40 1HD1 LEU 40 -10.435 12.342 5.029 274 HD12 LEU 40 2HD1 LEU 40 -11.681 12.691 3.809 275 HD13 LEU 40 3HD1 LEU 40 -11.478 13.773 5.190 276 HD21 LEU 40 3HD2 LEU 40 -8.317 15.253 4.157 277 HD22 LEU 40 1HD2 LEU 40 -8.526 13.907 5.305 278 HD23 LEU 40 2HD2 LEU 40 -9.639 15.281 5.345 279 H ILE 41 H ILE 41 -9.128 10.154 3.394 280 HA ILE 41 HA ILE 41 -8.082 8.794 0.958 281 HB ILE 41 HB ILE 41 -8.322 7.723 3.788 282 HG12 ILE 41 1HG1 ILE 41 -5.962 7.660 1.843 283 HG13 ILE 41 2HG1 ILE 41 -6.176 8.874 3.101 284 HG21 ILE 41 1HG2 ILE 41 -7.742 5.450 2.800 285 HG22 ILE 41 2HG2 ILE 41 -9.331 6.016 2.337 286 HG23 ILE 41 3HG2 ILE 41 -7.985 6.141 1.189 287 HD11 ILE 41 3HD1 ILE 41 -4.639 7.278 3.949 288 HD12 ILE 41 1HD1 ILE 41 -6.157 7.054 4.834 289 HD13 ILE 41 2HD1 ILE 41 -5.688 5.912 3.550 290 H THR 42 H THR 42 -9.679 7.863 -0.210 291 HA THR 42 HA THR 42 -12.307 7.318 0.991 292 HB THR 42 HB THR 42 -12.167 9.794 0.130 293 HG1 THR 42 HG1 THR 42 -14.368 9.602 -0.271 294 HG21 THR 42 3HG2 THR 42 -13.235 8.608 -2.435 295 HG22 THR 42 1HG2 THR 42 -11.493 8.859 -2.278 296 HG23 THR 42 2HG2 THR 42 -12.609 10.231 -2.103 297 H ASN 43 H ASN 43 -13.829 6.455 -0.733 298 HA ASN 43 HA ASN 43 -14.427 4.746 -2.022 299 HB2 ASN 43 1HB ASN 43 -14.174 5.258 -4.149 300 HB3 ASN 43 2HB ASN 43 -13.156 6.582 -3.598 301 HD21 ASN 43 1HD2 ASN 43 -10.723 5.662 -3.168 302 HD22 ASN 43 2HD2 ASN 43 -10.090 4.925 -4.647 303 H LYS 44 H LYS 44 -12.241 4.229 -0.028 304 HA LYS 44 HA LYS 44 -10.522 2.177 -0.721 305 HB2 LYS 44 1HB LYS 44 -10.718 3.510 1.450 306 HB3 LYS 44 2HB LYS 44 -11.975 2.346 1.927 307 HG2 LYS 44 1HG LYS 44 -10.413 0.475 1.782 308 HG3 LYS 44 2HG LYS 44 -9.165 1.524 1.122 309 HD2 LYS 44 1HD LYS 44 -9.257 2.867 3.274 310 HD3 LYS 44 2HD LYS 44 -10.259 1.551 3.941 311 HE2 LYS 44 1HE LYS 44 -8.448 -0.074 3.402 312 HE3 LYS 44 2HE LYS 44 -7.490 1.233 2.691 313 HZ1 LYS 44 3HZ LYS 44 -8.208 0.964 5.556 314 HZ2 LYS 44 1HZ LYS 44 -7.518 2.305 4.924 315 HZ3 LYS 44 2HZ LYS 44 -6.712 0.898 4.884 316 H SER 45 H SER 45 -10.844 0.406 -1.682 317 HA SER 45 HA SER 45 -13.232 -1.281 -1.107 318 HG SER 45 HG SER 45 -13.066 0.498 -3.387 319 HB2 SER 45 1HB SER 45 -11.401 -1.075 -3.543 320 HB3 SER 45 2HB SER 45 -12.633 -2.326 -3.345 321 H LEU 46 H LEU 46 -13.000 -3.526 -1.052 322 HA LEU 46 HA LEU 46 -10.336 -4.642 -0.515 323 HG LEU 46 HG LEU 46 -10.417 -6.656 1.149 324 HB2 LEU 46 1HB LEU 46 -11.004 -4.037 1.661 325 HB3 LEU 46 2HB LEU 46 -12.641 -4.629 1.451 326 HD11 LEU 46 1HD1 LEU 46 -10.225 -6.976 3.574 327 HD12 LEU 46 2HD1 LEU 46 -11.289 -5.578 3.864 328 HD13 LEU 46 3HD1 LEU 46 -9.689 -5.353 3.124 329 HD21 LEU 46 3HD2 LEU 46 -12.760 -7.419 0.973 330 HD22 LEU 46 1HD2 LEU 46 -13.098 -6.764 2.588 331 HD23 LEU 46 2HD2 LEU 46 -11.963 -8.114 2.379 332 H LYS 47 H LYS 47 -10.095 -6.683 -1.166 333 HA LYS 47 HA LYS 47 -12.405 -8.230 -2.215 334 HB2 LYS 47 1HB LYS 47 -10.588 -6.901 -3.860 335 HB3 LYS 47 2HB LYS 47 -9.829 -8.464 -3.658 336 HG2 LYS 47 1HG LYS 47 -11.974 -9.567 -4.327 337 HG3 LYS 47 2HG LYS 47 -12.589 -7.953 -4.761 338 HD2 LYS 47 1HD LYS 47 -10.671 -7.711 -6.366 339 HD3 LYS 47 2HD LYS 47 -10.125 -9.341 -5.913 340 HE2 LYS 47 1HE LYS 47 -12.441 -10.178 -6.612 341 HE3 LYS 47 2HE LYS 47 -12.728 -8.572 -7.301 342 HZ1 LYS 47 3HZ LYS 47 -11.862 -10.086 -8.980 343 HZ2 LYS 47 1HZ LYS 47 -10.562 -10.466 -8.062 344 HZ3 LYS 47 2HZ LYS 47 -10.716 -8.953 -8.695 345 H GLU 48 H GLU 48 -12.171 -10.471 -2.150 346 HA GLU 48 HA GLU 48 -9.659 -11.546 -0.952 347 HB2 GLU 48 1HB GLU 48 -12.421 -12.143 0.158 348 HB3 GLU 48 2HB GLU 48 -10.918 -12.930 0.647 349 HG2 GLU 48 1HG GLU 48 -10.062 -10.750 1.483 350 HG3 GLU 48 2HG GLU 48 -11.595 -9.995 1.051 351 H GLU 49 H GLU 49 -8.966 -13.051 -2.317 352 HA GLU 49 HA GLU 49 -10.893 -14.963 -3.566 353 HB2 GLU 49 1HB GLU 49 -8.404 -13.802 -4.848 354 HB3 GLU 49 2HB GLU 49 -9.311 -15.212 -5.429 355 HG2 GLU 49 1HG GLU 49 -11.358 -13.794 -5.632 356 HG3 GLU 49 2HG GLU 49 -10.430 -12.387 -5.109 357 H ASP 50 H ASP 50 -10.659 -16.952 -2.885 358 HA ASP 50 HA ASP 50 -9.821 -18.833 -1.890 359 HB2 ASP 50 1HB ASP 50 -9.184 -18.665 -4.381 360 HB3 ASP 50 2HB ASP 50 -7.551 -18.289 -3.840 361 H GLY 51 H GLY 51 -8.686 -16.440 -0.470 362 HA2 GLY 51 1HA GLY 51 -7.546 -16.834 1.733 363 HA3 GLY 51 2HA GLY 51 -6.265 -17.678 0.855 364 H GLU 52 H GLU 52 -6.626 -15.516 -1.358 365 HA GLU 52 HA GLU 52 -4.610 -13.650 -0.372 366 HB2 GLU 52 1HB GLU 52 -4.540 -14.452 -2.703 367 HB3 GLU 52 2HB GLU 52 -6.178 -13.827 -2.974 368 HG2 GLU 52 1HG GLU 52 -5.330 -11.497 -2.609 369 HG3 GLU 52 2HG GLU 52 -3.715 -12.138 -2.474 370 H GLU 53 H GLU 53 -4.942 -11.570 0.252 371 HA GLU 53 HA GLU 53 -7.725 -10.471 0.311 372 HB2 GLU 53 1HB GLU 53 -5.493 -10.057 2.345 373 HB3 GLU 53 2HB GLU 53 -7.061 -9.242 2.336 374 HG2 GLU 53 1HG GLU 53 -8.187 -11.461 2.609 375 HG3 GLU 53 2HG GLU 53 -6.606 -12.236 2.695 376 H ILE 54 H ILE 54 -7.965 -8.557 -0.759 377 HA ILE 54 HA ILE 54 -5.489 -7.064 -1.506 378 HB ILE 54 HB ILE 54 -7.991 -7.356 -3.216 379 HG12 ILE 54 1HG1 ILE 54 -6.050 -8.545 -4.714 380 HG13 ILE 54 2HG1 ILE 54 -5.434 -8.983 -3.129 381 HG21 ILE 54 1HG2 ILE 54 -5.276 -6.103 -3.601 382 HG22 ILE 54 2HG2 ILE 54 -6.447 -6.347 -4.927 383 HG23 ILE 54 3HG2 ILE 54 -6.859 -5.292 -3.580 384 HD11 ILE 54 3HD1 ILE 54 -6.851 -10.760 -4.082 385 HD12 ILE 54 1HD1 ILE 54 -7.675 -10.100 -2.660 386 HD13 ILE 54 2HD1 ILE 54 -8.176 -9.644 -4.308 387 H VAL 55 H VAL 55 -5.547 -4.883 -1.275 388 HA VAL 55 HA VAL 55 -8.101 -3.545 -0.464 389 HB VAL 55 HB VAL 55 -5.368 -3.079 0.808 390 HG11 VAL 55 1HG1 VAL 55 -6.597 -1.649 2.366 391 HG12 VAL 55 2HG1 VAL 55 -6.752 -1.059 0.711 392 HG13 VAL 55 3HG1 VAL 55 -8.113 -1.931 1.466 393 HG21 VAL 55 3HG2 VAL 55 -7.823 -4.504 1.904 394 HG22 VAL 55 1HG2 VAL 55 -6.208 -5.202 1.628 395 HG23 VAL 55 2HG2 VAL 55 -6.432 -3.987 2.891 396 H THR 56 H THR 56 -8.509 -2.017 -1.930 397 HA THR 56 HA THR 56 -6.215 -0.492 -3.092 398 HB THR 56 HB THR 56 -7.261 -0.320 -5.206 399 HG1 THR 56 HG1 THR 56 -9.112 -1.539 -5.680 400 HG21 THR 56 3HG2 THR 56 -5.804 -2.343 -4.628 401 HG22 THR 56 1HG2 THR 56 -6.902 -2.565 -6.002 402 HG23 THR 56 2HG2 THR 56 -7.301 -3.273 -4.426 403 H TYR 57 H TYR 57 -6.298 1.691 -3.074 404 HA TYR 57 HA TYR 57 -8.849 3.084 -2.720 405 HD1 TYR 57 HD1 TYR 57 -6.533 1.152 0.224 406 HD2 TYR 57 HD2 TYR 57 -6.238 5.427 -0.241 407 HE1 TYR 57 HE1 TYR 57 -4.568 1.192 1.760 408 HE2 TYR 57 HE2 TYR 57 -4.278 5.461 1.276 409 HH TYR 57 HH TYR 57 -2.922 4.246 2.649 410 HB2 TYR 57 1HB TYR 57 -8.390 4.177 -0.667 411 HB3 TYR 57 2HB TYR 57 -8.433 2.469 -0.491 412 H ASP 58 H ASP 58 -8.100 5.559 -2.002 413 HA ASP 58 HA ASP 58 -5.982 6.501 -3.885 414 HB2 ASP 58 1HB ASP 58 -8.934 7.360 -3.716 415 HB3 ASP 58 2HB ASP 58 -7.688 8.296 -4.520 416 H HIS 59 H HIS 59 -5.341 8.683 -3.364 417 HA HIS 59 HA HIS 59 -5.994 9.643 -0.593 418 HD1 HIS 59 HD1 HIS 59 -3.042 9.024 1.353 419 HD2 HIS 59 HD2 HIS 59 -2.760 7.629 -2.607 420 HE1 HIS 59 HE1 HIS 59 -1.601 6.948 1.421 421 HB2 HIS 59 1HB HIS 59 -3.476 10.244 -2.186 422 HB3 HIS 59 2HB HIS 59 -3.835 10.708 -0.539 423 H LEU 60 H LEU 60 -6.583 11.827 -0.392 424 HA LEU 60 HA LEU 60 -6.959 13.407 -2.903 425 HG LEU 60 HG LEU 60 -8.971 12.338 -3.724 426 HB2 LEU 60 1HB LEU 60 -9.021 12.861 -0.724 427 HB3 LEU 60 2HB LEU 60 -9.126 14.167 -1.894 428 HD11 LEU 60 1HD1 LEU 60 -9.963 10.191 -3.096 429 HD12 LEU 60 2HD1 LEU 60 -10.029 10.681 -1.376 430 HD13 LEU 60 3HD1 LEU 60 -8.484 10.382 -2.182 431 HD21 LEU 60 3HD2 LEU 60 -10.970 13.692 -3.243 432 HD22 LEU 60 1HD2 LEU 60 -11.434 12.577 -1.943 433 HD23 LEU 60 2HD2 LEU 60 -11.407 12.029 -3.640 434 H CYS 61 H CYS 61 -6.453 15.505 -2.744 435 HA CYS 61 HA CYS 61 -5.092 16.603 -0.505 436 HB2 CYS 61 1HB CYS 61 -5.022 17.159 -3.012 437 HB3 CYS 61 2HB CYS 61 -6.523 18.049 -2.781 438 H LYS 62 H LYS 62 -5.854 17.411 1.385 439 HA LYS 62 HA LYS 62 -8.686 17.522 1.980 440 HB2 LYS 62 1HB LYS 62 -7.177 17.051 3.758 441 HB3 LYS 62 2HB LYS 62 -6.186 18.444 3.417 442 HG2 LYS 62 1HG LYS 62 -7.327 18.812 5.471 443 HG3 LYS 62 2HG LYS 62 -7.889 19.964 4.275 444 HD2 LYS 62 1HD LYS 62 -9.893 18.334 3.903 445 HD3 LYS 62 2HD LYS 62 -9.299 17.493 5.333 446 HE2 LYS 62 1HE LYS 62 -11.045 18.967 6.042 447 HE3 LYS 62 2HE LYS 62 -9.515 19.600 6.656 448 HZ1 LYS 62 3HZ LYS 62 -10.886 20.593 4.205 449 HZ2 LYS 62 1HZ LYS 62 -9.528 21.223 4.847 450 HZ3 LYS 62 2HZ LYS 62 -10.939 21.336 5.661 451 H ASN 63 H ASN 63 -6.775 19.719 0.207 452 HA ASN 63 HA ASN 63 -8.403 22.095 0.911 453 HB2 ASN 63 1HB ASN 63 -6.032 22.420 0.904 454 HB3 ASN 63 2HB ASN 63 -5.866 21.762 -0.718 455 HD21 ASN 63 1HD2 ASN 63 -5.601 23.351 -2.240 456 HD22 ASN 63 2HD2 ASN 63 -6.391 24.928 -2.139 457 H CYS 64 H CYS 64 -7.151 20.728 -2.230 458 HA CYS 64 HA CYS 64 -9.564 21.728 -3.558 459 HB2 CYS 64 1HB CYS 64 -8.286 21.282 -5.614 460 HB3 CYS 64 2HB CYS 64 -7.492 22.393 -4.506 461 H HIS 65 H HIS 65 -8.792 18.773 -2.166 462 HA HIS 65 HA HIS 65 -9.430 16.624 -2.405 463 HD1 HIS 65 HD1 HIS 65 -12.160 19.617 -1.248 464 HD2 HIS 65 HD2 HIS 65 -11.022 15.677 -0.208 465 HE1 HIS 65 HE1 HIS 65 -12.182 19.508 1.324 466 HE2 HIS 65 HE2 HIS 65 -11.546 17.088 1.946 467 HB2 HIS 65 1HB HIS 65 -12.022 17.883 -3.292 468 HB3 HIS 65 2HB HIS 65 -11.812 16.195 -2.827 469 H HIS 66 H HIS 66 -8.084 17.783 -4.710 470 HA HIS 66 HA HIS 66 -8.709 16.156 -7.040 471 HD1 HIS 66 HD1 HIS 66 -5.849 15.970 -9.168 472 HD2 HIS 66 HD2 HIS 66 -4.428 17.321 -5.434 473 HE1 HIS 66 HE1 HIS 66 -3.332 15.899 -9.284 474 HB2 HIS 66 1HB HIS 66 -7.346 17.800 -7.707 475 HB3 HIS 66 2HB HIS 66 -6.715 18.063 -6.092 476 H VAL 67 H VAL 67 -7.737 14.069 -7.511 477 HA VAL 67 HA VAL 67 -6.915 12.507 -5.192 478 HB VAL 67 HB VAL 67 -7.060 11.752 -8.140 479 HG11 VAL 67 1HG1 VAL 67 -6.571 10.077 -5.639 480 HG12 VAL 67 2HG1 VAL 67 -6.999 9.419 -7.220 481 HG13 VAL 67 3HG1 VAL 67 -5.472 10.277 -7.022 482 HG21 VAL 67 3HG2 VAL 67 -9.282 12.239 -7.120 483 HG22 VAL 67 1HG2 VAL 67 -9.086 10.518 -7.461 484 HG23 VAL 67 2HG2 VAL 67 -8.913 11.110 -5.797 485 H ILE 68 H ILE 68 -5.053 12.884 -4.338 486 HA ILE 68 HA ILE 68 -2.698 13.944 -5.570 487 HB ILE 68 HB ILE 68 -3.293 12.541 -2.963 488 HG12 ILE 68 1HG1 ILE 68 -2.484 15.386 -3.720 489 HG13 ILE 68 2HG1 ILE 68 -4.140 14.858 -3.454 490 HG21 ILE 68 1HG2 ILE 68 -0.576 13.647 -3.786 491 HG22 ILE 68 2HG2 ILE 68 -1.014 13.093 -2.161 492 HG23 ILE 68 3HG2 ILE 68 -0.937 11.940 -3.467 493 HD11 ILE 68 3HD1 ILE 68 -3.252 16.029 -1.528 494 HD12 ILE 68 1HD1 ILE 68 -3.649 14.339 -1.115 495 HD13 ILE 68 2HD1 ILE 68 -1.955 14.861 -1.338 496 H ALA 69 H ALA 69 -3.667 10.606 -4.728 497 HA ALA 69 HA ALA 69 -1.926 9.386 -6.731 498 HB1 ALA 69 3HB ALA 69 -0.276 9.890 -5.001 499 HB2 ALA 69 1HB ALA 69 -1.331 9.262 -3.728 500 HB3 ALA 69 2HB ALA 69 -0.614 8.148 -4.903 501 H ARG 70 H ARG 70 -2.021 6.974 -6.597 502 HA ARG 70 HA ARG 70 -4.546 5.884 -5.400 503 HE ARG 70 HE ARG 70 -7.367 7.316 -8.119 504 HB2 ARG 70 1HB ARG 70 -3.211 5.337 -8.078 505 HB3 ARG 70 2HB ARG 70 -4.098 4.077 -7.224 506 HG2 ARG 70 1HG ARG 70 -5.683 4.920 -8.661 507 HG3 ARG 70 2HG ARG 70 -6.074 5.600 -7.083 508 HD2 ARG 70 1HD ARG 70 -4.900 7.730 -7.812 509 HD3 ARG 70 2HD ARG 70 -4.675 6.996 -9.410 510 HH11 ARG 70 1HH1 ARG 70 -5.414 8.037 -10.958 511 HH12 ARG 70 2HH1 ARG 70 -6.780 8.698 -11.814 512 HH21 ARG 70 1HH2 ARG 70 -9.000 8.105 -9.239 513 HH22 ARG 70 2HH2 ARG 70 -8.790 8.736 -10.855 514 H HIS 71 H HIS 71 -4.396 4.065 -4.287 515 HA HIS 71 HA HIS 71 -1.690 2.918 -3.667 516 HD2 HIS 71 HD2 HIS 71 -2.677 0.524 -1.002 517 HE1 HIS 71 HE1 HIS 71 0.342 2.702 1.074 518 HE2 HIS 71 HE2 HIS 71 -0.824 0.441 0.857 519 HB2 HIS 71 1HB HIS 71 -2.927 4.402 -1.945 520 HB3 HIS 71 2HB HIS 71 -4.069 3.088 -1.787 521 H GLU 72 H GLU 72 -1.497 0.734 -3.677 522 HA GLU 72 HA GLU 72 -3.904 -0.997 -3.495 523 HB2 GLU 72 1HB GLU 72 -3.596 -0.902 -5.844 524 HB3 GLU 72 2HB GLU 72 -1.835 -1.004 -5.725 525 HG2 GLU 72 1HG GLU 72 -1.894 -3.277 -5.018 526 HG3 GLU 72 2HG GLU 72 -3.649 -3.252 -4.771 527 H TYR 73 H TYR 73 -3.588 -2.558 -2.056 528 HA TYR 73 HA TYR 73 -0.842 -3.554 -1.481 529 HD1 TYR 73 HD1 TYR 73 0.302 -4.573 0.783 530 HD2 TYR 73 HD2 TYR 73 -3.840 -4.148 1.911 531 HE1 TYR 73 HE1 TYR 73 0.559 -6.422 2.397 532 HE2 TYR 73 HE2 TYR 73 -3.568 -5.968 3.564 533 HH TYR 73 HH TYR 73 -2.119 -7.425 4.574 534 HB2 TYR 73 1HB TYR 73 -1.260 -2.287 0.443 535 HB3 TYR 73 2HB TYR 73 -2.975 -2.629 0.430 536 H THR 74 H THR 74 -0.767 -5.695 -1.850 537 HA THR 74 HA THR 74 -3.314 -7.287 -1.689 538 HB THR 74 HB THR 74 -3.077 -8.327 -3.656 539 HG1 THR 74 HG1 THR 74 -1.171 -8.508 -4.835 540 HG21 THR 74 3HG2 THR 74 -3.273 -5.776 -4.141 541 HG22 THR 74 1HG2 THR 74 -2.741 -6.815 -5.468 542 HG23 THR 74 2HG2 THR 74 -1.562 -5.847 -4.558 543 H PHE 75 H PHE 75 -3.167 -9.125 -0.611 544 HA PHE 75 HA PHE 75 -0.458 -10.094 0.267 545 HD1 PHE 75 HD1 PHE 75 0.431 -10.736 2.775 546 HD2 PHE 75 HD2 PHE 75 -3.783 -11.645 2.758 547 HE1 PHE 75 HE1 PHE 75 0.861 -12.696 4.147 548 HE2 PHE 75 HE2 PHE 75 -3.338 -13.690 4.082 549 HZ PHE 75 HZ PHE 75 -0.994 -14.262 4.732 550 HB2 PHE 75 1HB PHE 75 -1.307 -9.013 2.127 551 HB3 PHE 75 2HB PHE 75 -2.955 -9.522 1.868 552 H SER 76 H SER 76 -0.150 -12.251 -0.182 553 HA SER 76 HA SER 76 -2.470 -14.061 -0.801 554 HG SER 76 HG SER 76 -1.432 -13.855 -4.078 555 HB2 SER 76 1HB SER 76 0.004 -13.432 -2.362 556 HB3 SER 76 2HB SER 76 -0.552 -15.102 -2.374 557 H ILE 77 H ILE 77 -2.345 -16.172 -0.129 558 HA ILE 77 HA ILE 77 0.116 -16.988 1.412 559 HB ILE 77 HB ILE 77 -2.700 -18.023 1.819 560 HG12 ILE 77 1HG1 ILE 77 -1.055 -15.911 3.172 561 HG13 ILE 77 2HG1 ILE 77 -2.748 -15.873 2.641 562 HG21 ILE 77 1HG2 ILE 77 -1.725 -19.281 3.683 563 HG22 ILE 77 2HG2 ILE 77 -0.874 -19.713 2.208 564 HG23 ILE 77 3HG2 ILE 77 -0.124 -18.583 3.357 565 HD11 ILE 77 3HD1 ILE 77 -1.596 -17.261 5.084 566 HD12 ILE 77 1HD1 ILE 77 -2.713 -15.891 5.039 567 HD13 ILE 77 2HD1 ILE 77 -3.278 -17.492 4.515 568 H MET 78 H MET 78 1.349 -18.462 0.527 569 HA MET 78 HA MET 78 0.167 -20.402 -1.400 570 HB2 MET 78 1HB MET 78 2.400 -20.419 -2.550 571 HB3 MET 78 2HB MET 78 1.406 -18.985 -2.795 572 HG2 MET 78 1HG MET 78 2.784 -17.624 -1.458 573 HG3 MET 78 2HG MET 78 3.555 -18.990 -0.664 574 HE1 MET 78 3HE MET 78 3.228 -19.217 -4.622 575 HE2 MET 78 1HE MET 78 3.071 -17.475 -4.295 576 HE3 MET 78 2HE MET 78 4.520 -18.106 -5.114 577 H ASP 79 H ASP 79 0.151 -22.350 -0.657 578 HA ASP 79 HA ASP 79 0.558 -24.264 0.476 579 HB2 ASP 79 1HB ASP 79 3.367 -23.569 -0.422 580 HB3 ASP 79 2HB ASP 79 2.869 -25.154 0.167 581 H GLU 80 H GLU 80 3.603 -22.720 1.468 582 HA GLU 80 HA GLU 80 2.934 -23.053 4.373 583 HB2 GLU 80 1HB GLU 80 5.703 -23.503 3.231 584 HB3 GLU 80 2HB GLU 80 5.120 -23.911 4.829 585 HG2 GLU 80 1HG GLU 80 4.486 -25.314 2.205 586 HG3 GLU 80 2HG GLU 80 5.559 -25.881 3.471 587 H PHE 81 H PHE 81 3.344 -20.727 2.166 588 HA PHE 81 HA PHE 81 4.921 -19.055 4.102 589 HD1 PHE 81 HD1 PHE 81 7.193 -20.723 3.437 590 HD2 PHE 81 HD2 PHE 81 5.705 -19.788 -0.476 591 HE1 PHE 81 HE1 PHE 81 8.435 -22.664 2.502 592 HE2 PHE 81 HE2 PHE 81 6.884 -21.730 -1.422 593 HZ PHE 81 HZ PHE 81 8.283 -23.184 0.072 594 HB2 PHE 81 1HB PHE 81 5.205 -18.338 1.202 595 HB3 PHE 81 2HB PHE 81 6.320 -18.222 2.498 596 H GLN 82 H GLN 82 4.640 -16.751 3.587 597 HA GLN 82 HA GLN 82 1.940 -16.021 2.474 598 HB2 GLN 82 1HB GLN 82 3.189 -14.304 4.553 599 HB3 GLN 82 2HB GLN 82 1.491 -14.600 4.133 600 HG2 GLN 82 1HG GLN 82 1.642 -16.811 5.253 601 HG3 GLN 82 2HG GLN 82 3.272 -16.308 5.802 602 HE21 GLN 82 1HE2 GLN 82 3.376 -14.201 7.031 603 HE22 GLN 82 2HE2 GLN 82 2.061 -13.872 8.142 604 H GLU 83 H GLU 83 1.853 -14.207 1.240 605 HA GLU 83 HA GLU 83 4.416 -12.884 0.453 606 HB2 GLU 83 1HB GLU 83 2.095 -13.960 -1.188 607 HB3 GLU 83 2HB GLU 83 2.954 -12.541 -1.754 608 HG2 GLU 83 1HG GLU 83 5.078 -13.756 -1.701 609 HG3 GLU 83 2HG GLU 83 4.215 -15.246 -1.244 610 H TYR 84 H TYR 84 4.414 -10.779 0.582 611 HA TYR 84 HA TYR 84 1.852 -9.234 0.910 612 HD1 TYR 84 HD1 TYR 84 4.418 -11.032 3.343 613 HD2 TYR 84 HD2 TYR 84 1.330 -8.029 3.619 614 HE1 TYR 84 HE1 TYR 84 3.451 -12.219 5.321 615 HE2 TYR 84 HE2 TYR 84 0.451 -9.119 5.662 616 HH TYR 84 HH TYR 84 0.672 -10.855 7.147 617 HB2 TYR 84 1HB TYR 84 4.607 -8.804 2.124 618 HB3 TYR 84 2HB TYR 84 3.290 -7.656 2.202 619 H THR 85 H THR 85 1.574 -7.657 -0.647 620 HA THR 85 HA THR 85 4.006 -6.475 -1.863 621 HB THR 85 HB THR 85 3.547 -6.839 -4.036 622 HG1 THR 85 HG1 THR 85 0.858 -7.611 -3.542 623 HG21 THR 85 3HG2 THR 85 2.157 -9.327 -2.909 624 HG22 THR 85 1HG2 THR 85 3.909 -9.126 -3.082 625 HG23 THR 85 2HG2 THR 85 2.887 -9.148 -4.521 626 H MET 86 H MET 86 3.802 -4.369 -2.346 627 HA MET 86 HA MET 86 1.170 -2.971 -2.126 628 HB2 MET 86 1HB MET 86 2.131 -2.789 0.031 629 HB3 MET 86 2HB MET 86 3.721 -2.324 -0.611 630 HG2 MET 86 1HG MET 86 2.644 -0.244 -1.510 631 HG3 MET 86 2HG MET 86 1.124 -0.758 -0.766 632 HE1 MET 86 3HE MET 86 4.410 1.315 -0.286 633 HE2 MET 86 1HE MET 86 4.917 0.823 1.345 634 HE3 MET 86 2HE MET 86 4.939 -0.349 0.013 635 H LEU 87 H LEU 87 0.971 -1.262 -3.351 636 HA LEU 87 HA LEU 87 3.163 -0.156 -5.030 637 HG LEU 87 HG LEU 87 2.027 0.536 -7.370 638 HB2 LEU 87 1HB LEU 87 2.172 -2.213 -6.202 639 HB3 LEU 87 2HB LEU 87 0.640 -1.370 -6.216 640 HD11 LEU 87 1HD1 LEU 87 4.175 -0.660 -7.091 641 HD12 LEU 87 2HD1 LEU 87 3.821 -0.293 -8.791 642 HD13 LEU 87 3HD1 LEU 87 3.589 -1.944 -8.158 643 HD21 LEU 87 3HD2 LEU 87 0.142 -0.632 -8.431 644 HD22 LEU 87 1HD2 LEU 87 1.207 -1.991 -8.853 645 HD23 LEU 87 2HD2 LEU 87 1.466 -0.386 -9.585 646 H CYS 88 H CYS 88 2.878 1.901 -4.362 647 HA CYS 88 HA CYS 88 0.364 3.322 -4.960 648 HB2 CYS 88 1HB CYS 88 0.289 2.861 -2.553 649 HB3 CYS 88 2HB CYS 88 1.921 3.432 -2.363 650 H LEU 89 H LEU 89 0.733 5.282 -5.864 651 HA LEU 89 HA LEU 89 3.305 6.047 -6.888 652 HG LEU 89 HG LEU 89 2.367 9.228 -6.788 653 HB2 LEU 89 1HB LEU 89 1.298 6.675 -8.055 654 HB3 LEU 89 2HB LEU 89 0.630 7.461 -6.632 655 HD11 LEU 89 1HD1 LEU 89 3.700 9.503 -8.751 656 HD12 LEU 89 2HD1 LEU 89 3.053 8.014 -9.480 657 HD13 LEU 89 3HD1 LEU 89 4.085 7.917 -8.041 658 HD21 LEU 89 3HD2 LEU 89 0.772 8.831 -9.345 659 HD22 LEU 89 1HD2 LEU 89 1.533 10.344 -8.828 660 HD23 LEU 89 2HD2 LEU 89 0.209 9.658 -7.867 661 H LEU 90 H LEU 90 1.617 6.917 -3.912 662 HA LEU 90 HA LEU 90 3.685 8.949 -3.183 663 HG LEU 90 HG LEU 90 2.417 8.696 -0.126 664 HB2 LEU 90 1HB LEU 90 1.393 9.644 -2.859 665 HB3 LEU 90 2HB LEU 90 0.973 8.141 -2.068 666 HD11 LEU 90 1HD1 LEU 90 3.449 10.812 0.120 667 HD12 LEU 90 2HD1 LEU 90 2.863 11.388 -1.449 668 HD13 LEU 90 3HD1 LEU 90 4.088 10.094 -1.348 669 HD21 LEU 90 3HD2 LEU 90 0.073 9.355 -0.105 670 HD22 LEU 90 1HD2 LEU 90 0.476 10.912 -0.863 671 HD23 LEU 90 2HD2 LEU 90 1.081 10.519 0.771 672 H CYS 91 H CYS 91 1.929 6.252 -1.545 673 HA CYS 91 HA CYS 91 3.778 6.145 0.518 674 HB2 CYS 91 1HB CYS 91 1.744 4.107 -0.403 675 HB3 CYS 91 2HB CYS 91 2.539 4.047 1.162 676 H GLY 92 H GLY 92 3.686 4.224 -2.448 677 HA2 GLY 92 1HA GLY 92 6.045 3.832 -3.236 678 HA3 GLY 92 2HA GLY 92 6.361 3.103 -1.684 679 H LYS 93 H LYS 93 7.170 1.756 -3.665 680 HA LYS 93 HA LYS 93 5.245 -0.483 -4.048 681 HB2 LYS 93 1HB LYS 93 5.813 0.398 -6.169 682 HB3 LYS 93 2HB LYS 93 7.505 0.490 -5.783 683 HG2 LYS 93 1HG LYS 93 7.612 -2.032 -5.638 684 HG3 LYS 93 2HG LYS 93 5.898 -2.092 -6.077 685 HD2 LYS 93 1HD LYS 93 6.446 -0.944 -8.244 686 HD3 LYS 93 2HD LYS 93 8.161 -0.944 -7.782 687 HE2 LYS 93 1HE LYS 93 8.114 -3.429 -7.637 688 HE3 LYS 93 2HE LYS 93 6.408 -3.425 -8.104 689 HZ1 LYS 93 3HZ LYS 93 7.062 -2.429 -10.234 690 HZ2 LYS 93 1HZ LYS 93 7.850 -3.840 -10.015 691 HZ3 LYS 93 2HZ LYS 93 8.639 -2.430 -9.800 692 H ALA 94 H ALA 94 5.582 -2.209 -2.907 693 HA ALA 94 HA ALA 94 8.315 -3.023 -2.187 694 HB1 ALA 94 3HB ALA 94 7.588 -1.541 -0.340 695 HB2 ALA 94 1HB ALA 94 6.091 -2.486 -0.167 696 HB3 ALA 94 2HB ALA 94 7.649 -3.222 0.224 697 H GLU 95 H GLU 95 8.522 -5.204 -1.366 698 HA GLU 95 HA GLU 95 6.181 -6.951 -1.385 699 HB2 GLU 95 1HB GLU 95 6.765 -6.949 -3.763 700 HB3 GLU 95 2HB GLU 95 8.459 -7.289 -3.379 701 HG2 GLU 95 1HG GLU 95 7.850 -9.515 -2.524 702 HG3 GLU 95 2HG GLU 95 6.145 -9.179 -2.813 703 H ASP 96 H ASP 96 6.413 -8.658 -0.028 704 HA ASP 96 HA ASP 96 9.059 -9.464 0.966 705 HB2 ASP 96 1HB ASP 96 7.823 -7.647 2.492 706 HB3 ASP 96 2HB ASP 96 6.809 -8.991 2.943 707 H THR 97 H THR 97 9.066 -11.601 1.921 708 HA THR 97 HA THR 97 6.516 -13.089 1.799 709 HB THR 97 HB THR 97 8.975 -14.502 0.825 710 HG1 THR 97 HG1 THR 97 8.752 -12.742 -0.575 711 HG21 THR 97 3HG2 THR 97 7.306 -15.876 -0.366 712 HG22 THR 97 1HG2 THR 97 6.019 -14.793 0.207 713 HG23 THR 97 2HG2 THR 97 6.909 -15.794 1.364 714 H ILE 98 H ILE 98 6.195 -14.491 3.451 715 HA ILE 98 HA ILE 98 8.431 -14.882 5.422 716 HB ILE 98 HB ILE 98 5.514 -14.776 6.174 717 HG12 ILE 98 1HG1 ILE 98 7.402 -12.401 6.034 718 HG13 ILE 98 2HG1 ILE 98 5.857 -12.619 5.193 719 HG21 ILE 98 1HG2 ILE 98 6.406 -14.401 8.426 720 HG22 ILE 98 2HG2 ILE 98 7.146 -15.830 7.728 721 HG23 ILE 98 3HG2 ILE 98 8.058 -14.301 7.776 722 HD11 ILE 98 3HD1 ILE 98 4.696 -12.572 7.427 723 HD12 ILE 98 1HD1 ILE 98 6.253 -12.112 8.159 724 HD13 ILE 98 2HD1 ILE 98 5.495 -11.061 6.955 725 H SER 99 H SER 99 8.894 -16.970 5.821 726 HA SER 99 HA SER 99 7.050 -19.084 4.868 727 HG SER 99 HG SER 99 10.817 -19.897 6.120 728 HB2 SER 99 1HB SER 99 8.779 -20.674 5.430 729 HB3 SER 99 2HB SER 99 9.380 -19.394 4.365 730 H ILE 100 H ILE 100 5.830 -20.362 6.093 731 HA ILE 100 HA ILE 100 5.767 -19.903 9.047 732 HB ILE 100 HB ILE 100 3.356 -19.879 8.956 733 HG12 ILE 100 1HG1 ILE 100 3.399 -19.715 5.924 734 HG13 ILE 100 2HG1 ILE 100 3.256 -21.280 6.725 735 HG21 ILE 100 1HG2 ILE 100 4.423 -17.870 6.929 736 HG22 ILE 100 2HG2 ILE 100 3.070 -17.661 8.063 737 HG23 ILE 100 3HG2 ILE 100 4.745 -17.767 8.654 738 HD11 ILE 100 3HD1 ILE 100 1.304 -18.989 7.005 739 HD12 ILE 100 1HD1 ILE 100 1.102 -20.516 6.104 740 HD13 ILE 100 2HD1 ILE 100 1.227 -20.551 7.874 741 H LEU 101 H LEU 101 4.542 -21.558 10.283 742 HA LEU 101 HA LEU 101 4.188 -24.223 9.083 743 HG LEU 101 HG LEU 101 7.211 -23.616 9.242 744 HB2 LEU 101 1HB LEU 101 5.960 -23.362 11.382 745 HB3 LEU 101 2HB LEU 101 5.421 -25.035 11.264 746 HD11 LEU 101 1HD1 LEU 101 8.947 -25.116 10.106 747 HD12 LEU 101 2HD1 LEU 101 7.806 -25.786 11.293 748 HD13 LEU 101 3HD1 LEU 101 8.310 -24.084 11.395 749 HD21 LEU 101 3HD2 LEU 101 7.529 -25.895 8.296 750 HD22 LEU 101 1HD2 LEU 101 5.856 -25.361 8.131 751 HD23 LEU 101 2HD2 LEU 101 6.290 -26.527 9.403 752 HA PRO 102 HA PRO 102 0.686 -24.136 11.856 753 HB2 PRO 102 1HB PRO 102 0.327 -26.772 12.548 754 HB3 PRO 102 2HB PRO 102 -0.026 -26.114 10.922 755 HG2 PRO 102 1HG PRO 102 2.485 -27.541 11.846 756 HG3 PRO 102 2HG PRO 102 1.513 -27.853 10.372 757 HD2 PRO 102 1HD PRO 102 3.759 -26.335 10.298 758 HD3 PRO 102 2HD PRO 102 2.333 -25.908 9.309 759 H ASP 103 H ASP 103 3.763 -25.238 12.969 760 HA ASP 103 HA ASP 103 3.179 -25.514 15.797 761 HB2 ASP 103 1HB ASP 103 5.780 -25.180 14.241 762 HB3 ASP 103 2HB ASP 103 5.679 -25.589 15.952 763 H ASP 104 H ASP 104 3.104 -22.740 13.986 764 HA ASP 104 HA ASP 104 3.379 -20.530 14.298 765 HB2 ASP 104 1HB ASP 104 1.592 -20.981 15.860 766 HB3 ASP 104 2HB ASP 104 2.747 -21.247 17.166 767 HA PRO 105 HA PRO 105 7.826 -20.698 15.725 768 HB2 PRO 105 1HB PRO 105 8.966 -20.021 13.307 769 HB3 PRO 105 2HB PRO 105 8.609 -21.713 13.799 770 HG2 PRO 105 1HG PRO 105 7.117 -19.903 11.915 771 HG3 PRO 105 2HG PRO 105 7.370 -21.661 11.815 772 HD2 PRO 105 1HD PRO 105 5.066 -20.374 12.773 773 HD3 PRO 105 2HD PRO 105 5.515 -22.070 13.166 774 H ARG 106 H ARG 106 6.367 -18.553 13.354 775 HA ARG 106 HA ARG 106 6.915 -16.136 14.929 776 HE ARG 106 HE ARG 106 8.803 -17.341 9.248 777 HB2 ARG 106 1HB ARG 106 7.902 -14.936 12.987 778 HB3 ARG 106 2HB ARG 106 8.903 -16.264 13.562 779 HG2 ARG 106 1HG ARG 106 8.242 -17.680 11.685 780 HG3 ARG 106 2HG ARG 106 7.066 -16.472 11.122 781 HD2 ARG 106 1HD ARG 106 8.838 -14.872 10.683 782 HD3 ARG 106 2HD ARG 106 10.046 -15.945 11.417 783 HH11 ARG 106 1HH1 ARG 106 10.898 -14.558 9.685 784 HH12 ARG 106 2HH1 ARG 106 11.737 -14.836 8.185 785 HH21 ARG 106 1HH2 ARG 106 10.098 -17.752 7.433 786 HH22 ARG 106 2HH2 ARG 106 11.288 -16.577 6.969 787 H GLN 107 H GLN 107 4.815 -17.813 12.949 788 HA GLN 107 HA GLN 107 2.843 -15.599 12.923 789 HB2 GLN 107 1HB GLN 107 3.715 -17.191 10.487 790 HB3 GLN 107 2HB GLN 107 2.243 -16.233 10.536 791 HG2 GLN 107 1HG GLN 107 5.051 -15.062 10.820 792 HG3 GLN 107 2HG GLN 107 4.154 -15.146 9.328 793 HE21 GLN 107 1HE2 GLN 107 4.337 -13.500 12.469 794 HE22 GLN 107 2HE2 GLN 107 3.164 -12.248 12.044 Start of MODEL 11 1 HA CYS 2 HA CYS 2 -1.339 14.890 -10.611 2 H1 CYS 2 1H CYS 2 -1.178 15.655 -7.886 3 HB2 CYS 2 1HB CYS 2 -0.176 17.296 -10.717 4 HB3 CYS 2 2HB CYS 2 -1.870 17.054 -10.398 5 H GLY 3 H GLY 3 0.708 13.625 -8.680 6 HA2 GLY 3 1HA GLY 3 2.665 12.427 -8.956 7 HA3 GLY 3 2HA GLY 3 2.834 13.009 -10.604 8 H ASP 4 H ASP 4 2.687 15.869 -9.847 9 HA ASP 4 HA ASP 4 5.410 16.398 -8.934 10 HB2 ASP 4 1HB ASP 4 2.963 18.120 -9.444 11 HB3 ASP 4 2HB ASP 4 4.439 18.783 -8.740 12 H CYS 5 H CYS 5 2.390 15.710 -7.364 13 HA CYS 5 HA CYS 5 2.710 16.901 -4.839 14 HB2 CYS 5 1HB CYS 5 1.337 14.302 -5.706 15 HB3 CYS 5 2HB CYS 5 1.276 14.918 -4.095 16 H VAL 6 H VAL 6 4.313 14.068 -6.245 17 HA VAL 6 HA VAL 6 5.316 13.185 -3.560 18 HB VAL 6 HB VAL 6 5.623 11.033 -4.388 19 HG11 VAL 6 1HG1 VAL 6 2.855 11.998 -5.204 20 HG12 VAL 6 2HG1 VAL 6 3.311 10.345 -4.797 21 HG13 VAL 6 3HG1 VAL 6 3.384 11.604 -3.557 22 HG21 VAL 6 3HG2 VAL 6 6.175 11.454 -6.804 23 HG22 VAL 6 1HG2 VAL 6 4.971 10.194 -6.545 24 HG23 VAL 6 2HG2 VAL 6 4.451 11.794 -7.083 25 H GLU 7 H GLU 7 7.497 13.019 -3.156 26 HA GLU 7 HA GLU 7 9.415 14.460 -4.733 27 HB2 GLU 7 1HB GLU 7 9.621 14.224 -2.289 28 HB3 GLU 7 2HB GLU 7 9.744 12.493 -2.422 29 HG2 GLU 7 1HG GLU 7 11.852 12.774 -3.718 30 HG3 GLU 7 2HG GLU 7 11.743 14.520 -3.436 31 H LYS 8 H LYS 8 8.682 11.004 -4.364 32 HA LYS 8 HA LYS 8 10.138 10.330 -6.887 33 HB2 LYS 8 1HB LYS 8 10.040 8.681 -4.322 34 HB3 LYS 8 2HB LYS 8 10.833 8.216 -5.829 35 HG2 LYS 8 1HG LYS 8 12.383 10.217 -5.512 36 HG3 LYS 8 2HG LYS 8 11.642 10.446 -3.913 37 HD2 LYS 8 1HD LYS 8 12.311 8.090 -3.312 38 HD3 LYS 8 2HD LYS 8 13.103 7.963 -4.886 39 HE2 LYS 8 1HE LYS 8 14.867 8.475 -3.467 40 HE3 LYS 8 2HE LYS 8 14.489 10.028 -4.213 41 HZ1 LYS 8 3HZ LYS 8 14.811 10.173 -1.787 42 HZ2 LYS 8 1HZ LYS 8 13.560 9.169 -1.514 43 HZ3 LYS 8 2HZ LYS 8 13.307 10.656 -2.150 44 H GLU 9 H GLU 9 9.041 8.885 -8.181 45 HA GLU 9 HA GLU 9 6.206 8.291 -7.575 46 HB2 GLU 9 1HB GLU 9 8.054 7.866 -9.956 47 HB3 GLU 9 2HB GLU 9 6.467 7.097 -9.887 48 HG2 GLU 9 1HG GLU 9 5.293 8.997 -10.155 49 HG3 GLU 9 2HG GLU 9 6.488 10.038 -9.380 50 H TYR 10 H TYR 10 5.595 6.470 -6.536 51 HA TYR 10 HA TYR 10 5.728 4.469 -5.444 52 HD1 TYR 10 HD1 TYR 10 5.323 5.405 -9.174 53 HD2 TYR 10 HD2 TYR 10 3.736 2.055 -6.933 54 HE1 TYR 10 HE1 TYR 10 3.119 5.786 -10.180 55 HE2 TYR 10 HE2 TYR 10 1.490 2.493 -7.913 56 HH TYR 10 HH TYR 10 0.260 3.752 -9.382 57 HB2 TYR 10 1HB TYR 10 6.814 3.465 -8.079 58 HB3 TYR 10 2HB TYR 10 6.043 2.527 -6.831 59 HA PRO 11 HA PRO 11 10.304 4.857 -4.472 60 HB2 PRO 11 1HB PRO 11 9.987 5.531 -1.822 61 HB3 PRO 11 2HB PRO 11 9.960 6.742 -3.156 62 HG2 PRO 11 1HG PRO 11 7.586 5.403 -1.830 63 HG3 PRO 11 2HG PRO 11 7.890 7.151 -2.058 64 HD2 PRO 11 1HD PRO 11 6.370 5.824 -3.826 65 HD3 PRO 11 2HD PRO 11 7.595 6.951 -4.442 66 H ASN 12 H ASN 12 11.511 3.138 -3.410 67 HA ASN 12 HA ASN 12 9.852 0.866 -2.533 68 HB2 ASN 12 1HB ASN 12 12.890 1.234 -2.629 69 HB3 ASN 12 2HB ASN 12 12.051 -0.266 -2.235 70 HD21 ASN 12 1HD2 ASN 12 10.113 -0.623 -4.126 71 HD22 ASN 12 2HD2 ASN 12 10.859 -0.612 -5.720 72 H ARG 13 H ARG 13 9.737 0.026 -0.481 73 HA ARG 13 HA ARG 13 10.505 1.880 1.759 74 HE ARG 13 HE ARG 13 9.058 3.903 3.367 75 HB2 ARG 13 1HB ARG 13 8.011 0.150 1.490 76 HB3 ARG 13 2HB ARG 13 8.384 1.245 2.821 77 HG2 ARG 13 1HG ARG 13 7.858 2.086 -0.046 78 HG3 ARG 13 2HG ARG 13 6.738 2.178 1.303 79 HD2 ARG 13 1HD ARG 13 9.382 3.676 1.088 80 HD3 ARG 13 2HD ARG 13 7.805 4.377 0.801 81 HH11 ARG 13 1HH1 ARG 13 5.892 4.257 1.902 82 HH12 ARG 13 2HH1 ARG 13 5.114 4.499 3.448 83 HH21 ARG 13 1HH2 ARG 13 8.007 4.249 5.284 84 HH22 ARG 13 2HH2 ARG 13 6.291 4.521 5.301 85 H GLY 14 H GLY 14 12.090 -0.394 0.863 86 HA2 GLY 14 1HA GLY 14 13.309 -2.137 1.804 87 HA3 GLY 14 2HA GLY 14 12.931 -1.411 3.374 88 H ASN 15 H ASN 15 10.687 -2.738 1.034 89 HA ASN 15 HA ASN 15 9.353 -4.505 0.859 90 HB2 ASN 15 1HB ASN 15 10.581 -5.759 3.343 91 HB3 ASN 15 2HB ASN 15 9.565 -6.510 2.148 92 HD21 ASN 15 1HD2 ASN 15 11.339 -8.074 2.294 93 HD22 ASN 15 2HD2 ASN 15 12.676 -7.845 1.153 94 H THR 16 H THR 16 8.887 -2.126 3.007 95 HA THR 16 HA THR 16 6.866 -3.201 4.791 96 HB THR 16 HB THR 16 7.435 -0.357 3.883 97 HG1 THR 16 HG1 THR 16 9.151 -0.992 4.964 98 HG21 THR 16 3HG2 THR 16 5.249 -0.299 4.826 99 HG22 THR 16 1HG2 THR 16 6.358 0.280 6.066 100 HG23 THR 16 2HG2 THR 16 5.725 -1.378 6.170 101 H CYS 17 H CYS 17 4.820 -3.889 4.193 102 HA CYS 17 HA CYS 17 3.465 -2.554 1.891 103 HG CYS 17 HG CYS 17 5.718 -5.009 1.848 104 HB2 CYS 17 1HB CYS 17 3.317 -5.453 2.784 105 HB3 CYS 17 2HB CYS 17 2.433 -4.735 1.433 106 H LEU 18 H LEU 18 1.934 -1.259 2.713 107 HA LEU 18 HA LEU 18 0.300 -2.072 5.092 108 HG LEU 18 HG LEU 18 0.901 -0.346 7.062 109 HB2 LEU 18 1HB LEU 18 1.611 0.492 4.239 110 HB3 LEU 18 2HB LEU 18 0.088 0.599 5.079 111 HD11 LEU 18 1HD1 LEU 18 2.254 -2.179 6.463 112 HD12 LEU 18 2HD1 LEU 18 3.333 -1.062 7.301 113 HD13 LEU 18 3HD1 LEU 18 3.361 -1.161 5.520 114 HD21 LEU 18 3HD2 LEU 18 2.701 1.200 7.654 115 HD22 LEU 18 1HD2 LEU 18 1.530 2.006 6.598 116 HD23 LEU 18 2HD2 LEU 18 3.087 1.452 5.937 117 H GLU 19 H GLU 19 -1.761 -1.765 5.191 118 HA GLU 19 HA GLU 19 -3.329 -1.328 2.711 119 HB2 GLU 19 1HB GLU 19 -5.123 -2.372 3.902 120 HB3 GLU 19 2HB GLU 19 -3.716 -3.386 4.065 121 HG2 GLU 19 1HG GLU 19 -4.602 -1.445 6.227 122 HG3 GLU 19 2HG GLU 19 -5.229 -3.080 6.076 123 H ASN 20 H ASN 20 -2.307 0.530 5.338 124 HA ASN 20 HA ASN 20 -4.376 2.589 4.839 125 HB2 ASN 20 1HB ASN 20 -3.865 1.252 7.527 126 HB3 ASN 20 2HB ASN 20 -4.484 2.892 7.430 127 HD21 ASN 20 1HD2 ASN 20 -5.569 -0.114 7.985 128 HD22 ASN 20 2HD2 ASN 20 -7.181 0.057 7.314 129 H GLY 21 H GLY 21 -3.686 4.694 5.289 130 HA2 GLY 21 1HA GLY 21 -2.127 6.108 6.659 131 HA3 GLY 21 2HA GLY 21 -0.816 5.092 6.076 132 H SER 22 H SER 22 -0.108 7.341 5.647 133 HA SER 22 HA SER 22 -0.233 7.974 2.782 134 HG SER 22 HG SER 22 -2.696 8.768 3.738 135 HB2 SER 22 1HB SER 22 -1.096 9.932 4.952 136 HB3 SER 22 2HB SER 22 -0.433 10.472 3.407 137 H PHE 23 H PHE 23 1.858 8.334 2.169 138 HA PHE 23 HA PHE 23 3.885 8.477 4.260 139 HD1 PHE 23 HD1 PHE 23 5.891 8.011 4.644 140 HD2 PHE 23 HD2 PHE 23 6.226 7.196 0.421 141 HE1 PHE 23 HE1 PHE 23 8.311 7.620 4.900 142 HE2 PHE 23 HE2 PHE 23 8.663 6.846 0.683 143 HZ PHE 23 HZ PHE 23 9.728 7.148 2.924 144 HB2 PHE 23 1HB PHE 23 3.913 6.871 2.406 145 HB3 PHE 23 2HB PHE 23 4.195 8.165 1.268 146 H LEU 24 H LEU 24 3.402 10.601 4.994 147 HA LEU 24 HA LEU 24 3.682 12.936 3.541 148 HG LEU 24 HG LEU 24 2.144 13.693 6.848 149 HB2 LEU 24 1HB LEU 24 4.032 12.258 6.463 150 HB3 LEU 24 2HB LEU 24 4.392 13.880 5.916 151 HD11 LEU 24 1HD1 LEU 24 2.656 15.425 5.152 152 HD12 LEU 24 2HD1 LEU 24 0.956 14.913 5.142 153 HD13 LEU 24 3HD1 LEU 24 2.049 14.331 3.882 154 HD21 LEU 24 3HD2 LEU 24 0.307 12.627 5.709 155 HD22 LEU 24 1HD2 LEU 24 1.530 11.422 6.135 156 HD23 LEU 24 2HD2 LEU 24 1.382 11.998 4.451 157 H LEU 25 H LEU 25 6.355 10.941 4.555 158 HA LEU 25 HA LEU 25 8.406 12.986 4.228 159 HG LEU 25 HG LEU 25 8.135 11.283 6.569 160 HB2 LEU 25 1HB LEU 25 8.402 9.974 4.438 161 HB3 LEU 25 2HB LEU 25 9.890 10.825 4.107 162 HD11 LEU 25 1HD1 LEU 25 9.924 10.095 7.788 163 HD12 LEU 25 2HD1 LEU 25 10.761 9.767 6.253 164 HD13 LEU 25 3HD1 LEU 25 9.165 9.053 6.580 165 HD21 LEU 25 3HD2 LEU 25 10.150 12.448 7.469 166 HD22 LEU 25 1HD2 LEU 25 9.472 13.288 6.077 167 HD23 LEU 25 2HD2 LEU 25 10.934 12.292 5.882 168 H ASN 26 H ASN 26 6.583 11.129 1.942 169 HA ASN 26 HA ASN 26 8.515 11.785 -0.281 170 HB2 ASN 26 1HB ASN 26 7.731 9.418 -0.013 171 HB3 ASN 26 2HB ASN 26 6.075 9.942 -0.250 172 HD21 ASN 26 1HD2 ASN 26 5.848 8.697 -2.266 173 HD22 ASN 26 2HD2 ASN 26 6.733 9.212 -3.709 174 H PHE 27 H PHE 27 5.205 12.310 0.986 175 HA PHE 27 HA PHE 27 4.282 13.840 -1.268 176 HD1 PHE 27 HD1 PHE 27 2.104 14.352 -1.909 177 HD2 PHE 27 HD2 PHE 27 2.035 15.855 2.118 178 HE1 PHE 27 HE1 PHE 27 0.313 15.990 -2.563 179 HE2 PHE 27 HE2 PHE 27 0.252 17.467 1.473 180 HZ PHE 27 HZ PHE 27 -0.625 17.502 -0.843 181 HB2 PHE 27 1HB PHE 27 2.765 12.926 0.429 182 HB3 PHE 27 2HB PHE 27 3.417 14.023 1.631 183 H THR 28 H THR 28 5.247 15.621 -2.001 184 HA THR 28 HA THR 28 6.753 17.457 -0.189 185 HB THR 28 HB THR 28 7.471 18.555 -2.306 186 HG1 THR 28 HG1 THR 28 6.972 17.553 -4.240 187 HG21 THR 28 3HG2 THR 28 8.806 16.705 -1.307 188 HG22 THR 28 1HG2 THR 28 8.941 16.766 -3.074 189 HG23 THR 28 2HG2 THR 28 7.899 15.550 -2.306 190 H GLY 29 H GLY 29 3.606 17.164 -0.995 191 HA2 GLY 29 1HA GLY 29 1.926 18.740 -0.406 192 HA3 GLY 29 2HA GLY 29 2.994 20.082 -0.768 193 H CYS 30 H CYS 30 0.319 19.506 -1.804 194 HA CYS 30 HA CYS 30 0.187 18.390 -4.318 195 HB2 CYS 30 1HB CYS 30 -1.661 19.246 -2.717 196 HB3 CYS 30 2HB CYS 30 -1.414 20.816 -3.435 197 H ALA 31 H ALA 31 -0.413 19.434 -6.291 198 HA ALA 31 HA ALA 31 1.096 21.936 -6.877 199 HB1 ALA 31 3HB ALA 31 2.131 21.208 -8.780 200 HB2 ALA 31 1HB ALA 31 2.255 19.762 -7.734 201 HB3 ALA 31 2HB ALA 31 1.015 19.872 -9.025 202 H VAL 32 H VAL 32 -1.935 20.323 -7.014 203 HA VAL 32 HA VAL 32 -2.981 21.978 -9.181 204 HB VAL 32 HB VAL 32 -4.316 20.212 -7.093 205 HG11 VAL 32 1HG1 VAL 32 -5.779 21.871 -9.190 206 HG12 VAL 32 2HG1 VAL 32 -6.488 20.583 -8.176 207 HG13 VAL 32 3HG1 VAL 32 -5.896 22.061 -7.423 208 HG21 VAL 32 3HG2 VAL 32 -3.319 19.088 -9.061 209 HG22 VAL 32 1HG2 VAL 32 -5.077 18.933 -9.044 210 HG23 VAL 32 2HG2 VAL 32 -4.297 20.098 -10.143 211 H CYS 33 H CYS 33 -2.721 22.151 -5.653 212 HA CYS 33 HA CYS 33 -3.593 25.004 -5.706 213 HB2 CYS 33 1HB CYS 33 -4.677 24.635 -3.616 214 HB3 CYS 33 2HB CYS 33 -5.306 23.474 -4.795 215 H SER 34 H SER 34 -1.088 22.857 -4.681 216 HA SER 34 HA SER 34 0.964 23.266 -3.800 217 HG SER 34 HG SER 34 2.592 26.254 -3.953 218 HB2 SER 34 1HB SER 34 0.595 25.589 -4.855 219 HB3 SER 34 2HB SER 34 0.425 26.139 -3.178 220 H LYS 35 H LYS 35 -1.424 22.519 -2.006 221 HA LYS 35 HA LYS 35 -0.516 23.502 0.668 222 HB2 LYS 35 1HB LYS 35 -2.821 21.800 -0.324 223 HB3 LYS 35 2HB LYS 35 -2.414 21.890 1.378 224 HG2 LYS 35 1HG LYS 35 -2.506 24.597 0.269 225 HG3 LYS 35 2HG LYS 35 -3.993 23.724 -0.105 226 HD2 LYS 35 1HD LYS 35 -4.381 23.197 2.209 227 HD3 LYS 35 2HD LYS 35 -2.794 23.869 2.675 228 HE2 LYS 35 1HE LYS 35 -3.539 26.106 1.807 229 HE3 LYS 35 2HE LYS 35 -5.128 25.420 1.446 230 HZ1 LYS 35 3HZ LYS 35 -3.915 25.593 4.157 231 HZ2 LYS 35 1HZ LYS 35 -5.388 24.961 3.830 232 HZ3 LYS 35 2HZ LYS 35 -5.110 26.551 3.597 233 H ARG 36 H ARG 36 0.322 22.245 2.293 234 HA ARG 36 HA ARG 36 1.134 19.431 1.684 235 HE ARG 36 HE ARG 36 5.304 17.392 2.084 236 HB2 ARG 36 1HB ARG 36 3.041 21.035 1.566 237 HB3 ARG 36 2HB ARG 36 2.842 21.309 3.307 238 HG2 ARG 36 1HG ARG 36 3.386 19.028 3.827 239 HG3 ARG 36 2HG ARG 36 3.102 18.499 2.153 240 HD2 ARG 36 1HD ARG 36 5.040 19.813 1.426 241 HD3 ARG 36 2HD ARG 36 5.381 20.240 3.111 242 HH11 ARG 36 1HH1 ARG 36 7.062 19.746 4.008 243 HH12 ARG 36 2HH1 ARG 36 8.163 18.532 4.597 244 HH21 ARG 36 1HH2 ARG 36 6.621 15.934 2.924 245 HH22 ARG 36 2HH2 ARG 36 7.927 16.415 3.978 246 H ASP 37 H ASP 37 1.430 18.114 3.699 247 HA ASP 37 HA ASP 37 0.398 17.043 5.362 248 HB2 ASP 37 1HB ASP 37 0.357 18.011 7.501 249 HB3 ASP 37 2HB ASP 37 1.835 18.406 6.649 250 H PHE 38 H PHE 38 -1.275 18.040 3.408 251 HA PHE 38 HA PHE 38 -3.975 18.068 4.668 252 HD1 PHE 38 HD1 PHE 38 -2.466 20.474 5.357 253 HD2 PHE 38 HD2 PHE 38 -5.936 20.889 2.846 254 HE1 PHE 38 HE1 PHE 38 -3.261 22.345 6.762 255 HE2 PHE 38 HE2 PHE 38 -6.730 22.773 4.235 256 HZ PHE 38 HZ PHE 38 -5.401 23.496 6.226 257 HB2 PHE 38 1HB PHE 38 -2.793 19.764 2.515 258 HB3 PHE 38 2HB PHE 38 -4.444 19.246 2.322 259 H MET 39 H MET 39 -4.504 15.968 4.495 260 HA MET 39 HA MET 39 -5.321 15.069 1.902 261 HB2 MET 39 1HB MET 39 -4.154 12.794 2.020 262 HB3 MET 39 2HB MET 39 -3.277 14.147 1.400 263 HG2 MET 39 1HG MET 39 -2.878 13.912 4.305 264 HG3 MET 39 2HG MET 39 -2.575 12.375 3.515 265 HE1 MET 39 3HE MET 39 -1.272 13.314 0.617 266 HE2 MET 39 1HE MET 39 0.403 13.083 1.145 267 HE3 MET 39 2HE MET 39 -0.853 11.943 1.671 268 H LEU 40 H LEU 40 -6.616 13.415 1.769 269 HA LEU 40 HA LEU 40 -7.907 12.112 4.124 270 HG LEU 40 HG LEU 40 -10.442 14.743 3.168 271 HB2 LEU 40 1HB LEU 40 -9.014 13.675 1.769 272 HB3 LEU 40 2HB LEU 40 -9.917 12.333 2.338 273 HD11 LEU 40 1HD1 LEU 40 -11.451 13.752 5.215 274 HD12 LEU 40 2HD1 LEU 40 -10.408 12.322 5.042 275 HD13 LEU 40 3HD1 LEU 40 -11.658 12.678 3.828 276 HD21 LEU 40 3HD2 LEU 40 -9.614 15.253 5.375 277 HD22 LEU 40 1HD2 LEU 40 -8.294 15.237 4.185 278 HD23 LEU 40 2HD2 LEU 40 -8.500 13.882 5.320 279 H ILE 41 H ILE 41 -9.126 10.162 3.413 280 HA ILE 41 HA ILE 41 -8.060 8.759 1.008 281 HB ILE 41 HB ILE 41 -8.384 7.723 3.844 282 HG12 ILE 41 1HG1 ILE 41 -5.955 7.656 1.988 283 HG13 ILE 41 2HG1 ILE 41 -6.216 8.861 3.247 284 HG21 ILE 41 1HG2 ILE 41 -7.757 5.445 2.878 285 HG22 ILE 41 2HG2 ILE 41 -9.345 6.003 2.391 286 HG23 ILE 41 3HG2 ILE 41 -7.983 6.133 1.263 287 HD11 ILE 41 3HD1 ILE 41 -5.717 5.901 3.676 288 HD12 ILE 41 1HD1 ILE 41 -4.726 7.280 4.171 289 HD13 ILE 41 2HD1 ILE 41 -6.286 7.001 4.957 290 H THR 42 H THR 42 -9.660 7.862 -0.188 291 HA THR 42 HA THR 42 -12.302 7.329 0.993 292 HB THR 42 HB THR 42 -12.152 9.796 0.101 293 HG1 THR 42 HG1 THR 42 -14.349 9.595 -0.307 294 HG21 THR 42 3HG2 THR 42 -12.598 10.199 -2.142 295 HG22 THR 42 1HG2 THR 42 -13.200 8.563 -2.454 296 HG23 THR 42 2HG2 THR 42 -11.461 8.839 -2.290 297 H ASN 43 H ASN 43 -13.802 6.420 -0.715 298 HA ASN 43 HA ASN 43 -14.370 4.672 -1.966 299 HB2 ASN 43 1HB ASN 43 -14.146 5.167 -4.099 300 HB3 ASN 43 2HB ASN 43 -13.144 6.514 -3.572 301 HD21 ASN 43 1HD2 ASN 43 -10.695 5.629 -3.144 302 HD22 ASN 43 2HD2 ASN 43 -10.059 4.886 -4.618 303 H LYS 44 H LYS 44 -12.137 4.243 0.002 304 HA LYS 44 HA LYS 44 -10.393 2.190 -0.656 305 HB2 LYS 44 1HB LYS 44 -10.566 3.614 1.450 306 HB3 LYS 44 2HB LYS 44 -11.821 2.471 1.991 307 HG2 LYS 44 1HG LYS 44 -10.306 0.668 2.183 308 HG3 LYS 44 2HG LYS 44 -9.111 1.436 1.151 309 HD2 LYS 44 1HD LYS 44 -8.295 1.490 3.408 310 HD3 LYS 44 2HD LYS 44 -8.648 3.137 2.875 311 HE2 LYS 44 1HE LYS 44 -10.882 2.967 4.077 312 HE3 LYS 44 2HE LYS 44 -10.379 1.380 4.675 313 HZ1 LYS 44 3HZ LYS 44 -9.050 3.972 5.259 314 HZ2 LYS 44 1HZ LYS 44 -8.427 2.531 5.702 315 HZ3 LYS 44 2HZ LYS 44 -9.860 3.036 6.325 316 H SER 45 H SER 45 -10.788 0.425 -1.631 317 HA SER 45 HA SER 45 -13.163 -1.230 -0.959 318 HG SER 45 HG SER 45 -13.070 0.550 -3.236 319 HB2 SER 45 1HB SER 45 -11.418 -1.020 -3.461 320 HB3 SER 45 2HB SER 45 -12.640 -2.276 -3.241 321 H LEU 46 H LEU 46 -12.976 -3.494 -0.944 322 HA LEU 46 HA LEU 46 -10.304 -4.648 -0.526 323 HG LEU 46 HG LEU 46 -10.347 -6.668 1.152 324 HB2 LEU 46 1HB LEU 46 -10.910 -4.053 1.679 325 HB3 LEU 46 2HB LEU 46 -12.557 -4.635 1.509 326 HD11 LEU 46 1HD1 LEU 46 -11.197 -5.589 3.880 327 HD12 LEU 46 2HD1 LEU 46 -9.598 -5.377 3.134 328 HD13 LEU 46 3HD1 LEU 46 -10.146 -6.996 3.588 329 HD21 LEU 46 3HD2 LEU 46 -13.017 -6.765 2.620 330 HD22 LEU 46 1HD2 LEU 46 -11.891 -8.122 2.405 331 HD23 LEU 46 2HD2 LEU 46 -12.696 -7.426 1.004 332 H LYS 47 H LYS 47 -10.091 -6.694 -1.233 333 HA LYS 47 HA LYS 47 -12.428 -8.224 -2.172 334 HB2 LYS 47 1HB LYS 47 -10.602 -6.831 -3.819 335 HB3 LYS 47 2HB LYS 47 -9.921 -8.432 -3.742 336 HG2 LYS 47 1HG LYS 47 -11.316 -8.421 -5.628 337 HG3 LYS 47 2HG LYS 47 -12.165 -9.362 -4.386 338 HD2 LYS 47 1HD LYS 47 -13.604 -7.380 -3.890 339 HD3 LYS 47 2HD LYS 47 -12.718 -6.441 -5.108 340 HE2 LYS 47 1HE LYS 47 -13.433 -8.049 -6.862 341 HE3 LYS 47 2HE LYS 47 -14.305 -8.994 -5.648 342 HZ1 LYS 47 3HZ LYS 47 -14.920 -6.176 -6.373 343 HZ2 LYS 47 1HZ LYS 47 -15.727 -7.051 -5.252 344 HZ3 LYS 47 2HZ LYS 47 -15.794 -7.478 -6.825 345 H GLU 48 H GLU 48 -12.184 -10.455 -2.161 346 HA GLU 48 HA GLU 48 -9.658 -11.549 -0.999 347 HB2 GLU 48 1HB GLU 48 -12.408 -12.134 0.145 348 HB3 GLU 48 2HB GLU 48 -10.901 -12.925 0.615 349 HG2 GLU 48 1HG GLU 48 -10.034 -10.741 1.443 350 HG3 GLU 48 2HG GLU 48 -11.574 -9.990 1.027 351 H GLU 49 H GLU 49 -8.986 -13.071 -2.353 352 HA GLU 49 HA GLU 49 -10.934 -15.001 -3.538 353 HB2 GLU 49 1HB GLU 49 -8.447 -13.906 -4.882 354 HB3 GLU 49 2HB GLU 49 -9.407 -15.293 -5.429 355 HG2 GLU 49 1HG GLU 49 -11.424 -13.790 -5.563 356 HG3 GLU 49 2HG GLU 49 -10.393 -12.414 -5.162 357 H ASP 50 H ASP 50 -10.697 -16.980 -2.821 358 HA ASP 50 HA ASP 50 -9.851 -18.848 -1.813 359 HB2 ASP 50 1HB ASP 50 -9.226 -18.715 -4.312 360 HB3 ASP 50 2HB ASP 50 -7.589 -18.339 -3.783 361 H GLY 51 H GLY 51 -8.698 -16.432 -0.441 362 HA2 GLY 51 1HA GLY 51 -7.543 -16.789 1.758 363 HA3 GLY 51 2HA GLY 51 -6.275 -17.660 0.889 364 H GLU 52 H GLU 52 -6.636 -15.541 -1.368 365 HA GLU 52 HA GLU 52 -4.608 -13.663 -0.428 366 HB2 GLU 52 1HB GLU 52 -4.545 -14.494 -2.743 367 HB3 GLU 52 2HB GLU 52 -6.189 -13.887 -3.017 368 HG2 GLU 52 1HG GLU 52 -5.362 -11.541 -2.698 369 HG3 GLU 52 2HG GLU 52 -3.740 -12.164 -2.556 370 H GLU 53 H GLU 53 -4.933 -11.596 0.196 371 HA GLU 53 HA GLU 53 -7.714 -10.481 0.250 372 HB2 GLU 53 1HB GLU 53 -5.481 -10.062 2.281 373 HB3 GLU 53 2HB GLU 53 -7.051 -9.254 2.271 374 HG2 GLU 53 1HG GLU 53 -8.164 -11.487 2.545 375 HG3 GLU 53 2HG GLU 53 -6.575 -12.243 2.647 376 H ILE 54 H ILE 54 -7.950 -8.575 -0.816 377 HA ILE 54 HA ILE 54 -5.482 -7.091 -1.574 378 HB ILE 54 HB ILE 54 -7.975 -7.357 -3.269 379 HG12 ILE 54 1HG1 ILE 54 -6.066 -8.555 -4.783 380 HG13 ILE 54 2HG1 ILE 54 -5.429 -8.996 -3.205 381 HG21 ILE 54 1HG2 ILE 54 -5.269 -6.094 -3.649 382 HG22 ILE 54 2HG2 ILE 54 -6.428 -6.348 -4.983 383 HG23 ILE 54 3HG2 ILE 54 -6.861 -5.299 -3.637 384 HD11 ILE 54 3HD1 ILE 54 -6.886 -10.754 -4.171 385 HD12 ILE 54 1HD1 ILE 54 -7.642 -10.122 -2.700 386 HD13 ILE 54 2HD1 ILE 54 -8.215 -9.622 -4.309 387 H VAL 55 H VAL 55 -5.527 -4.906 -1.331 388 HA VAL 55 HA VAL 55 -8.065 -3.564 -0.498 389 HB VAL 55 HB VAL 55 -5.325 -3.133 0.757 390 HG11 VAL 55 1HG1 VAL 55 -6.641 -1.088 0.684 391 HG12 VAL 55 2HG1 VAL 55 -8.041 -1.932 1.399 392 HG13 VAL 55 3HG1 VAL 55 -6.543 -1.695 2.336 393 HG21 VAL 55 3HG2 VAL 55 -6.187 -5.249 1.571 394 HG22 VAL 55 1HG2 VAL 55 -6.384 -4.041 2.842 395 HG23 VAL 55 2HG2 VAL 55 -7.788 -4.529 1.867 396 H THR 56 H THR 56 -8.478 -2.017 -1.940 397 HA THR 56 HA THR 56 -6.181 -0.499 -3.114 398 HB THR 56 HB THR 56 -7.248 -0.307 -5.217 399 HG1 THR 56 HG1 THR 56 -9.123 -1.493 -5.676 400 HG21 THR 56 3HG2 THR 56 -6.929 -2.552 -6.026 401 HG22 THR 56 1HG2 THR 56 -7.339 -3.262 -4.456 402 HG23 THR 56 2HG2 THR 56 -5.819 -2.368 -4.657 403 H TYR 57 H TYR 57 -6.261 1.694 -3.081 404 HA TYR 57 HA TYR 57 -8.808 3.071 -2.644 405 HD1 TYR 57 HD1 TYR 57 -6.240 1.208 0.162 406 HD2 TYR 57 HD2 TYR 57 -6.279 5.507 -0.187 407 HE1 TYR 57 HE1 TYR 57 -4.227 1.361 1.622 408 HE2 TYR 57 HE2 TYR 57 -4.295 5.651 1.289 409 HH TYR 57 HH TYR 57 -2.815 4.506 2.587 410 HB2 TYR 57 1HB TYR 57 -8.310 4.154 -0.612 411 HB3 TYR 57 2HB TYR 57 -8.278 2.440 -0.414 412 H ASP 58 H ASP 58 -8.071 5.551 -1.974 413 HA ASP 58 HA ASP 58 -5.980 6.496 -3.881 414 HB2 ASP 58 1HB ASP 58 -8.936 7.341 -3.704 415 HB3 ASP 58 2HB ASP 58 -7.699 8.281 -4.514 416 H HIS 59 H HIS 59 -5.352 8.685 -3.376 417 HA HIS 59 HA HIS 59 -5.984 9.644 -0.600 418 HD1 HIS 59 HD1 HIS 59 -3.022 9.009 1.312 419 HD2 HIS 59 HD2 HIS 59 -2.765 7.634 -2.656 420 HE1 HIS 59 HE1 HIS 59 -1.572 6.935 1.354 421 HB2 HIS 59 1HB HIS 59 -3.483 10.246 -2.215 422 HB3 HIS 59 2HB HIS 59 -3.822 10.707 -0.564 423 H LEU 60 H LEU 60 -6.574 11.826 -0.384 424 HA LEU 60 HA LEU 60 -6.969 13.420 -2.885 425 HG LEU 60 HG LEU 60 -8.991 12.379 -3.704 426 HB2 LEU 60 1HB LEU 60 -9.019 12.864 -0.698 427 HB3 LEU 60 2HB LEU 60 -9.127 14.184 -1.851 428 HD11 LEU 60 1HD1 LEU 60 -10.030 10.693 -1.371 429 HD12 LEU 60 2HD1 LEU 60 -8.495 10.402 -2.199 430 HD13 LEU 60 3HD1 LEU 60 -9.984 10.228 -3.099 431 HD21 LEU 60 3HD2 LEU 60 -11.442 12.592 -1.901 432 HD22 LEU 60 1HD2 LEU 60 -11.426 12.080 -3.608 433 HD23 LEU 60 2HD2 LEU 60 -10.985 13.732 -3.181 434 H CYS 61 H CYS 61 -6.469 15.520 -2.719 435 HA CYS 61 HA CYS 61 -5.092 16.604 -0.482 436 HB2 CYS 61 1HB CYS 61 -5.020 17.176 -2.980 437 HB3 CYS 61 2HB CYS 61 -6.529 18.054 -2.752 438 H LYS 62 H LYS 62 -5.853 17.402 1.422 439 HA LYS 62 HA LYS 62 -8.679 17.522 2.025 440 HB2 LYS 62 1HB LYS 62 -7.155 17.045 3.786 441 HB3 LYS 62 2HB LYS 62 -6.160 18.433 3.434 442 HG2 LYS 62 1HG LYS 62 -7.243 18.815 5.496 443 HG3 LYS 62 2HG LYS 62 -7.868 19.962 4.324 444 HD2 LYS 62 1HD LYS 62 -9.887 18.438 4.035 445 HD3 LYS 62 2HD LYS 62 -9.224 17.443 5.348 446 HE2 LYS 62 1HE LYS 62 -9.237 19.424 6.853 447 HE3 LYS 62 2HE LYS 62 -9.920 20.406 5.551 448 HZ1 LYS 62 3HZ LYS 62 -11.254 18.048 6.782 449 HZ2 LYS 62 1HZ LYS 62 -11.890 18.968 5.587 450 HZ3 LYS 62 2HZ LYS 62 -11.643 19.604 7.066 451 H ASN 63 H ASN 63 -6.752 19.729 0.257 452 HA ASN 63 HA ASN 63 -8.376 22.104 0.974 453 HB2 ASN 63 1HB ASN 63 -6.000 22.413 0.960 454 HB3 ASN 63 2HB ASN 63 -5.850 21.779 -0.673 455 HD21 ASN 63 1HD2 ASN 63 -5.600 23.387 -2.175 456 HD22 ASN 63 2HD2 ASN 63 -6.378 24.969 -2.042 457 H CYS 64 H CYS 64 -7.148 20.741 -2.176 458 HA CYS 64 HA CYS 64 -9.566 21.757 -3.483 459 HB2 CYS 64 1HB CYS 64 -8.307 21.331 -5.551 460 HB3 CYS 64 2HB CYS 64 -7.493 22.423 -4.438 461 H HIS 65 H HIS 65 -8.785 18.795 -2.116 462 HA HIS 65 HA HIS 65 -9.426 16.646 -2.364 463 HD1 HIS 65 HD1 HIS 65 -12.076 19.658 -1.157 464 HD2 HIS 65 HD2 HIS 65 -11.024 15.682 -0.164 465 HE1 HIS 65 HE1 HIS 65 -12.047 19.533 1.416 466 HE2 HIS 65 HE2 HIS 65 -11.473 17.092 2.008 467 HB2 HIS 65 1HB HIS 65 -12.021 17.924 -3.217 468 HB3 HIS 65 2HB HIS 65 -11.818 16.230 -2.768 469 H HIS 66 H HIS 66 -8.089 17.811 -4.669 470 HA HIS 66 HA HIS 66 -8.739 16.197 -7.000 471 HD1 HIS 66 HD1 HIS 66 -5.862 15.945 -9.113 472 HD2 HIS 66 HD2 HIS 66 -4.446 17.369 -5.405 473 HE1 HIS 66 HE1 HIS 66 -3.345 15.859 -9.219 474 HB2 HIS 66 1HB HIS 66 -7.360 17.810 -7.693 475 HB3 HIS 66 2HB HIS 66 -6.738 18.102 -6.081 476 H VAL 67 H VAL 67 -7.782 14.103 -7.484 477 HA VAL 67 HA VAL 67 -6.949 12.534 -5.170 478 HB VAL 67 HB VAL 67 -7.125 11.775 -8.116 479 HG11 VAL 67 1HG1 VAL 67 -6.650 10.104 -5.610 480 HG12 VAL 67 2HG1 VAL 67 -7.092 9.445 -7.186 481 HG13 VAL 67 3HG1 VAL 67 -5.552 10.285 -6.997 482 HG21 VAL 67 3HG2 VAL 67 -9.163 10.569 -7.428 483 HG22 VAL 67 1HG2 VAL 67 -8.979 11.162 -5.767 484 HG23 VAL 67 2HG2 VAL 67 -9.338 12.292 -7.091 485 H ILE 68 H ILE 68 -5.082 12.915 -4.338 486 HA ILE 68 HA ILE 68 -2.739 13.970 -5.579 487 HB ILE 68 HB ILE 68 -3.319 12.546 -2.979 488 HG12 ILE 68 1HG1 ILE 68 -2.551 15.402 -3.740 489 HG13 ILE 68 2HG1 ILE 68 -4.189 14.853 -3.428 490 HG21 ILE 68 1HG2 ILE 68 -0.612 13.685 -3.784 491 HG22 ILE 68 2HG2 ILE 68 -1.045 13.084 -2.176 492 HG23 ILE 68 3HG2 ILE 68 -0.954 11.966 -3.511 493 HD11 ILE 68 3HD1 ILE 68 -3.615 14.334 -1.105 494 HD12 ILE 68 1HD1 ILE 68 -1.938 14.887 -1.386 495 HD13 ILE 68 2HD1 ILE 68 -3.261 16.033 -1.526 496 H ALA 69 H ALA 69 -3.688 10.624 -4.735 497 HA ALA 69 HA ALA 69 -1.955 9.414 -6.754 498 HB1 ALA 69 3HB ALA 69 -0.621 8.183 -4.948 499 HB2 ALA 69 1HB ALA 69 -0.303 9.930 -5.026 500 HB3 ALA 69 2HB ALA 69 -1.345 9.275 -3.756 501 H ARG 70 H ARG 70 -2.025 6.997 -6.610 502 HA ARG 70 HA ARG 70 -4.543 5.893 -5.414 503 HE ARG 70 HE ARG 70 -7.390 7.339 -8.105 504 HB2 ARG 70 1HB ARG 70 -3.230 5.376 -8.109 505 HB3 ARG 70 2HB ARG 70 -4.111 4.110 -7.261 506 HG2 ARG 70 1HG ARG 70 -5.709 4.969 -8.675 507 HG3 ARG 70 2HG ARG 70 -6.084 5.636 -7.086 508 HD2 ARG 70 1HD ARG 70 -4.915 7.772 -7.806 509 HD3 ARG 70 2HD ARG 70 -4.704 7.051 -9.414 510 HH11 ARG 70 1HH1 ARG 70 -5.439 8.171 -10.914 511 HH12 ARG 70 2HH1 ARG 70 -6.807 8.860 -11.746 512 HH21 ARG 70 1HH2 ARG 70 -9.025 8.167 -9.194 513 HH22 ARG 70 2HH2 ARG 70 -8.816 8.863 -10.783 514 H HIS 71 H HIS 71 -4.385 4.073 -4.319 515 HA HIS 71 HA HIS 71 -1.678 2.915 -3.722 516 HD2 HIS 71 HD2 HIS 71 -2.669 0.505 -1.052 517 HE1 HIS 71 HE1 HIS 71 0.339 2.689 1.033 518 HE2 HIS 71 HE2 HIS 71 -0.820 0.426 0.809 519 HB2 HIS 71 1HB HIS 71 -2.922 4.386 -1.990 520 HB3 HIS 71 2HB HIS 71 -4.059 3.066 -1.840 521 H GLU 72 H GLU 72 -1.483 0.731 -3.711 522 HA GLU 72 HA GLU 72 -3.882 -1.005 -3.545 523 HB2 GLU 72 1HB GLU 72 -3.555 -0.909 -5.895 524 HB3 GLU 72 2HB GLU 72 -1.796 -1.013 -5.760 525 HG2 GLU 72 1HG GLU 72 -1.865 -3.283 -5.053 526 HG3 GLU 72 2HG GLU 72 -3.623 -3.254 -4.816 527 H TYR 73 H TYR 73 -3.566 -2.616 -2.169 528 HA TYR 73 HA TYR 73 -0.825 -3.573 -1.535 529 HD1 TYR 73 HD1 TYR 73 0.320 -4.566 0.732 530 HD2 TYR 73 HD2 TYR 73 -3.821 -4.203 1.872 531 HE1 TYR 73 HE1 TYR 73 0.600 -6.431 2.330 532 HE2 TYR 73 HE2 TYR 73 -3.536 -6.058 3.482 533 HH TYR 73 HH TYR 73 -2.072 -7.490 4.489 534 HB2 TYR 73 1HB TYR 73 -1.240 -2.315 0.388 535 HB3 TYR 73 2HB TYR 73 -2.961 -2.654 0.378 536 H THR 74 H THR 74 -0.742 -5.711 -1.907 537 HA THR 74 HA THR 74 -3.295 -7.303 -1.773 538 HB THR 74 HB THR 74 -3.045 -8.323 -3.746 539 HG1 THR 74 HG1 THR 74 -0.293 -7.631 -3.812 540 HG21 THR 74 3HG2 THR 74 -3.270 -5.787 -4.212 541 HG22 THR 74 1HG2 THR 74 -2.697 -6.799 -5.543 542 HG23 THR 74 2HG2 THR 74 -1.552 -5.816 -4.608 543 H PHE 75 H PHE 75 -3.156 -9.148 -0.694 544 HA PHE 75 HA PHE 75 -0.456 -10.110 0.211 545 HD1 PHE 75 HD1 PHE 75 0.426 -10.699 2.751 546 HD2 PHE 75 HD2 PHE 75 -3.774 -11.657 2.684 547 HE1 PHE 75 HE1 PHE 75 0.859 -12.643 4.152 548 HE2 PHE 75 HE2 PHE 75 -3.328 -13.681 4.039 549 HZ PHE 75 HZ PHE 75 -0.991 -14.222 4.729 550 HB2 PHE 75 1HB PHE 75 -1.300 -9.016 2.047 551 HB3 PHE 75 2HB PHE 75 -2.951 -9.519 1.803 552 H SER 76 H SER 76 -0.135 -12.269 -0.191 553 HA SER 76 HA SER 76 -2.445 -14.097 -0.798 554 HG SER 76 HG SER 76 -1.446 -13.909 -4.083 555 HB2 SER 76 1HB SER 76 0.004 -13.460 -2.390 556 HB3 SER 76 2HB SER 76 -0.526 -15.137 -2.379 557 H ILE 77 H ILE 77 -2.305 -16.200 -0.114 558 HA ILE 77 HA ILE 77 0.153 -16.981 1.451 559 HB ILE 77 HB ILE 77 -2.657 -18.032 1.849 560 HG12 ILE 77 1HG1 ILE 77 -1.044 -15.888 3.188 561 HG13 ILE 77 2HG1 ILE 77 -2.733 -15.874 2.643 562 HG21 ILE 77 1HG2 ILE 77 -0.098 -18.536 3.430 563 HG22 ILE 77 2HG2 ILE 77 -1.693 -19.262 3.729 564 HG23 ILE 77 3HG2 ILE 77 -0.801 -19.693 2.276 565 HD11 ILE 77 3HD1 ILE 77 -1.593 -17.223 5.114 566 HD12 ILE 77 1HD1 ILE 77 -2.713 -15.858 5.042 567 HD13 ILE 77 2HD1 ILE 77 -3.270 -17.465 4.533 568 H MET 78 H MET 78 1.411 -18.465 0.593 569 HA MET 78 HA MET 78 0.265 -20.426 -1.325 570 HB2 MET 78 1HB MET 78 2.513 -20.425 -2.455 571 HB3 MET 78 2HB MET 78 1.504 -19.003 -2.712 572 HG2 MET 78 1HG MET 78 2.849 -17.622 -1.367 573 HG3 MET 78 2HG MET 78 3.623 -18.975 -0.553 574 HE1 MET 78 3HE MET 78 4.630 -18.105 -4.995 575 HE2 MET 78 1HE MET 78 3.368 -19.253 -4.512 576 HE3 MET 78 2HE MET 78 3.150 -17.514 -4.199 577 H ASP 79 H ASP 79 0.258 -22.370 -0.605 578 HA ASP 79 HA ASP 79 0.653 -24.298 0.451 579 HB2 ASP 79 1HB ASP 79 2.396 -24.183 -1.336 580 HB3 ASP 79 2HB ASP 79 3.556 -23.647 -0.117 581 H GLU 80 H GLU 80 3.536 -22.580 1.699 582 HA GLU 80 HA GLU 80 2.644 -22.962 4.516 583 HB2 GLU 80 1HB GLU 80 5.510 -23.446 3.689 584 HB3 GLU 80 2HB GLU 80 4.734 -23.793 5.240 585 HG2 GLU 80 1HG GLU 80 3.355 -25.550 3.976 586 HG3 GLU 80 2HG GLU 80 4.453 -25.260 2.609 587 H PHE 81 H PHE 81 3.364 -20.697 2.257 588 HA PHE 81 HA PHE 81 4.845 -18.981 4.247 589 HD1 PHE 81 HD1 PHE 81 6.872 -20.880 3.676 590 HD2 PHE 81 HD2 PHE 81 5.847 -19.702 -0.320 591 HE1 PHE 81 HE1 PHE 81 8.077 -22.866 2.784 592 HE2 PHE 81 HE2 PHE 81 6.983 -21.694 -1.230 593 HZ PHE 81 HZ PHE 81 8.134 -23.288 0.331 594 HB2 PHE 81 1HB PHE 81 5.198 -18.338 1.344 595 HB3 PHE 81 2HB PHE 81 6.291 -18.235 2.657 596 H GLN 82 H GLN 82 4.636 -16.672 3.631 597 HA GLN 82 HA GLN 82 1.939 -15.941 2.534 598 HB2 GLN 82 1HB GLN 82 3.230 -14.168 4.536 599 HB3 GLN 82 2HB GLN 82 1.513 -14.545 4.226 600 HG2 GLN 82 1HG GLN 82 1.753 -16.662 5.367 601 HG3 GLN 82 2HG GLN 82 3.410 -16.192 5.841 602 HE21 GLN 82 1HE2 GLN 82 0.398 -16.357 7.070 603 HE22 GLN 82 2HE2 GLN 82 0.469 -15.015 8.193 604 H GLU 83 H GLU 83 1.867 -14.171 1.258 605 HA GLU 83 HA GLU 83 4.428 -12.865 0.432 606 HB2 GLU 83 1HB GLU 83 2.093 -13.950 -1.185 607 HB3 GLU 83 2HB GLU 83 2.963 -12.547 -1.770 608 HG2 GLU 83 1HG GLU 83 5.076 -13.780 -1.708 609 HG3 GLU 83 2HG GLU 83 4.202 -15.256 -1.227 610 H TYR 84 H TYR 84 4.430 -10.769 0.592 611 HA TYR 84 HA TYR 84 1.868 -9.219 0.893 612 HD1 TYR 84 HD1 TYR 84 4.445 -10.981 3.372 613 HD2 TYR 84 HD2 TYR 84 1.315 -8.019 3.591 614 HE1 TYR 84 HE1 TYR 84 3.501 -12.136 5.363 615 HE2 TYR 84 HE2 TYR 84 0.425 -9.111 5.631 616 HH TYR 84 HH TYR 84 1.884 -12.131 6.949 617 HB2 TYR 84 1HB TYR 84 4.616 -8.788 2.121 618 HB3 TYR 84 2HB TYR 84 3.300 -7.635 2.186 619 H THR 85 H THR 85 1.595 -7.668 -0.672 620 HA THR 85 HA THR 85 4.013 -6.466 -1.886 621 HB THR 85 HB THR 85 3.553 -6.851 -4.059 622 HG1 THR 85 HG1 THR 85 1.533 -7.386 -4.883 623 HG21 THR 85 3HG2 THR 85 3.937 -9.131 -3.070 624 HG22 THR 85 1HG2 THR 85 2.942 -9.170 -4.526 625 HG23 THR 85 2HG2 THR 85 2.182 -9.344 -2.930 626 H MET 86 H MET 86 3.806 -4.369 -2.371 627 HA MET 86 HA MET 86 1.170 -2.984 -2.181 628 HB2 MET 86 1HB MET 86 2.104 -2.807 -0.008 629 HB3 MET 86 2HB MET 86 3.696 -2.321 -0.627 630 HG2 MET 86 1HG MET 86 2.592 -0.254 -1.540 631 HG3 MET 86 2HG MET 86 1.077 -0.789 -0.802 632 HE1 MET 86 3HE MET 86 4.874 -0.330 -0.021 633 HE2 MET 86 1HE MET 86 4.320 1.323 -0.331 634 HE3 MET 86 2HE MET 86 4.842 0.856 1.304 635 H LEU 87 H LEU 87 0.979 -1.268 -3.397 636 HA LEU 87 HA LEU 87 3.182 -0.155 -5.059 637 HG LEU 87 HG LEU 87 2.040 0.546 -7.402 638 HB2 LEU 87 1HB LEU 87 2.196 -2.207 -6.243 639 HB3 LEU 87 2HB LEU 87 0.662 -1.365 -6.256 640 HD11 LEU 87 1HD1 LEU 87 3.619 -1.922 -8.194 641 HD12 LEU 87 2HD1 LEU 87 4.194 -0.634 -7.124 642 HD13 LEU 87 3HD1 LEU 87 3.841 -0.268 -8.824 643 HD21 LEU 87 3HD2 LEU 87 0.163 -0.627 -8.467 644 HD22 LEU 87 1HD2 LEU 87 1.234 -1.980 -8.892 645 HD23 LEU 87 2HD2 LEU 87 1.487 -0.373 -9.620 646 H CYS 88 H CYS 88 2.892 1.903 -4.393 647 HA CYS 88 HA CYS 88 0.378 3.322 -5.001 648 HB2 CYS 88 1HB CYS 88 0.294 2.858 -2.595 649 HB3 CYS 88 2HB CYS 88 1.925 3.432 -2.396 650 H LEU 89 H LEU 89 0.751 5.283 -5.901 651 HA LEU 89 HA LEU 89 3.325 6.059 -6.910 652 HG LEU 89 HG LEU 89 2.364 9.237 -6.804 653 HB2 LEU 89 1HB LEU 89 1.324 6.680 -8.085 654 HB3 LEU 89 2HB LEU 89 0.643 7.456 -6.661 655 HD11 LEU 89 1HD1 LEU 89 4.107 7.950 -8.041 656 HD12 LEU 89 2HD1 LEU 89 3.706 9.528 -8.762 657 HD13 LEU 89 3HD1 LEU 89 3.087 8.027 -9.489 658 HD21 LEU 89 3HD2 LEU 89 0.800 8.822 -9.379 659 HD22 LEU 89 1HD2 LEU 89 1.540 10.342 -8.858 660 HD23 LEU 89 2HD2 LEU 89 0.212 9.645 -7.908 661 H LEU 90 H LEU 90 1.618 6.915 -3.939 662 HA LEU 90 HA LEU 90 3.684 8.941 -3.195 663 HG LEU 90 HG LEU 90 2.411 8.686 -0.145 664 HB2 LEU 90 1HB LEU 90 1.388 9.635 -2.880 665 HB3 LEU 90 2HB LEU 90 0.967 8.131 -2.090 666 HD11 LEU 90 1HD1 LEU 90 3.441 10.801 0.102 667 HD12 LEU 90 2HD1 LEU 90 2.852 11.380 -1.465 668 HD13 LEU 90 3HD1 LEU 90 4.079 10.089 -1.368 669 HD21 LEU 90 3HD2 LEU 90 1.069 10.508 0.751 670 HD22 LEU 90 1HD2 LEU 90 0.065 9.340 -0.125 671 HD23 LEU 90 2HD2 LEU 90 0.464 10.897 -0.884 672 H CYS 91 H CYS 91 1.918 6.241 -1.567 673 HA CYS 91 HA CYS 91 3.764 6.133 0.500 674 HB2 CYS 91 1HB CYS 91 1.733 4.097 -0.431 675 HB3 CYS 91 2HB CYS 91 2.524 4.031 1.136 676 H GLY 92 H GLY 92 3.690 4.217 -2.472 677 HA2 GLY 92 1HA GLY 92 6.060 3.824 -3.233 678 HA3 GLY 92 2HA GLY 92 6.348 3.081 -1.682 679 H LYS 93 H LYS 93 7.182 1.759 -3.677 680 HA LYS 93 HA LYS 93 5.266 -0.490 -4.082 681 HB2 LYS 93 1HB LYS 93 5.828 0.423 -6.198 682 HB3 LYS 93 2HB LYS 93 7.524 0.507 -5.815 683 HG2 LYS 93 1HG LYS 93 7.626 -2.017 -5.698 684 HG3 LYS 93 2HG LYS 93 5.911 -2.068 -6.134 685 HD2 LYS 93 1HD LYS 93 6.455 -0.889 -8.287 686 HD3 LYS 93 2HD LYS 93 8.171 -0.903 -7.832 687 HE2 LYS 93 1HE LYS 93 8.116 -3.389 -7.727 688 HE3 LYS 93 2HE LYS 93 6.407 -3.372 -8.181 689 HZ1 LYS 93 3HZ LYS 93 8.629 -2.359 -9.879 690 HZ2 LYS 93 1HZ LYS 93 7.049 -2.346 -10.300 691 HZ3 LYS 93 2HZ LYS 93 7.833 -3.764 -10.109 692 H ALA 94 H ALA 94 5.616 -2.178 -2.899 693 HA ALA 94 HA ALA 94 8.356 -3.020 -2.247 694 HB1 ALA 94 3HB ALA 94 6.176 -2.432 -0.189 695 HB2 ALA 94 1HB ALA 94 7.735 -3.171 0.188 696 HB3 ALA 94 2HB ALA 94 7.674 -1.500 -0.403 697 H GLU 95 H GLU 95 8.553 -5.198 -1.392 698 HA GLU 95 HA GLU 95 6.204 -6.930 -1.383 699 HB2 GLU 95 1HB GLU 95 6.781 -6.929 -3.764 700 HB3 GLU 95 2HB GLU 95 8.470 -7.272 -3.380 701 HG2 GLU 95 1HG GLU 95 7.870 -9.499 -2.536 702 HG3 GLU 95 2HG GLU 95 6.161 -9.162 -2.806 703 H ASP 96 H ASP 96 6.433 -8.643 -0.028 704 HA ASP 96 HA ASP 96 9.083 -9.465 0.955 705 HB2 ASP 96 1HB ASP 96 7.839 -7.650 2.489 706 HB3 ASP 96 2HB ASP 96 6.830 -8.997 2.937 707 H THR 97 H THR 97 9.086 -11.607 1.902 708 HA THR 97 HA THR 97 6.530 -13.078 1.784 709 HB THR 97 HB THR 97 8.976 -14.510 0.807 710 HG1 THR 97 HG1 THR 97 8.753 -12.748 -0.593 711 HG21 THR 97 3HG2 THR 97 7.298 -15.879 -0.371 712 HG22 THR 97 1HG2 THR 97 6.015 -14.789 0.205 713 HG23 THR 97 2HG2 THR 97 6.908 -15.790 1.361 714 H ILE 98 H ILE 98 6.198 -14.438 3.474 715 HA ILE 98 HA ILE 98 8.442 -14.864 5.428 716 HB ILE 98 HB ILE 98 5.533 -14.678 6.230 717 HG12 ILE 98 1HG1 ILE 98 7.484 -12.345 6.017 718 HG13 ILE 98 2HG1 ILE 98 5.942 -12.533 5.162 719 HG21 ILE 98 1HG2 ILE 98 8.116 -14.173 7.754 720 HG22 ILE 98 2HG2 ILE 98 6.472 -14.275 8.434 721 HG23 ILE 98 3HG2 ILE 98 7.216 -15.710 7.757 722 HD11 ILE 98 3HD1 ILE 98 6.336 -11.988 8.125 723 HD12 ILE 98 1HD1 ILE 98 5.576 -10.956 6.908 724 HD13 ILE 98 2HD1 ILE 98 4.773 -12.457 7.411 725 H SER 99 H SER 99 8.836 -16.982 5.924 726 HA SER 99 HA SER 99 6.949 -19.073 5.011 727 HG SER 99 HG SER 99 10.739 -19.725 6.308 728 HB2 SER 99 1HB SER 99 8.657 -20.653 5.863 729 HB3 SER 99 2HB SER 99 9.211 -19.559 4.586 730 H ILE 100 H ILE 100 5.553 -20.177 6.309 731 HA ILE 100 HA ILE 100 5.576 -19.631 9.233 732 HB ILE 100 HB ILE 100 3.144 -19.172 9.173 733 HG12 ILE 100 1HG1 ILE 100 2.122 -18.298 7.097 734 HG13 ILE 100 2HG1 ILE 100 3.434 -18.978 6.149 735 HG21 ILE 100 1HG2 ILE 100 3.344 -16.882 8.547 736 HG22 ILE 100 2HG2 ILE 100 4.869 -17.404 9.288 737 HG23 ILE 100 3HG2 ILE 100 4.758 -17.211 7.529 738 HD11 ILE 100 3HD1 ILE 100 1.432 -20.533 7.857 739 HD12 ILE 100 1HD1 ILE 100 1.374 -20.346 6.095 740 HD13 ILE 100 2HD1 ILE 100 2.686 -21.267 6.832 741 H LEU 101 H LEU 101 3.477 -20.783 10.132 742 HA LEU 101 HA LEU 101 3.399 -23.665 9.419 743 HG LEU 101 HG LEU 101 6.019 -22.831 10.759 744 HB2 LEU 101 1HB LEU 101 3.964 -22.229 12.060 745 HB3 LEU 101 2HB LEU 101 3.467 -23.910 12.037 746 HD11 LEU 101 1HD1 LEU 101 7.150 -23.988 12.603 747 HD12 LEU 101 2HD1 LEU 101 5.581 -24.470 13.289 748 HD13 LEU 101 3HD1 LEU 101 6.042 -22.754 13.223 749 HD21 LEU 101 3HD2 LEU 101 5.022 -25.695 11.132 750 HD22 LEU 101 1HD2 LEU 101 6.650 -25.232 10.588 751 HD23 LEU 101 2HD2 LEU 101 5.254 -24.854 9.581 752 HA PRO 102 HA PRO 102 -0.960 -23.185 9.951 753 HB2 PRO 102 1HB PRO 102 -1.803 -25.298 11.536 754 HB3 PRO 102 2HB PRO 102 -1.329 -25.415 9.814 755 HG2 PRO 102 1HG PRO 102 0.389 -25.954 12.250 756 HG3 PRO 102 2HG PRO 102 0.177 -26.980 10.792 757 HD2 PRO 102 1HD PRO 102 2.305 -25.363 11.013 758 HD3 PRO 102 2HD PRO 102 1.452 -25.482 9.452 759 H ASP 103 H ASP 103 0.982 -22.989 12.789 760 HA ASP 103 HA ASP 103 -1.086 -22.058 14.629 761 HB2 ASP 103 1HB ASP 103 1.060 -23.249 15.244 762 HB3 ASP 103 2HB ASP 103 1.946 -21.804 14.762 763 H ASP 104 H ASP 104 0.229 -20.632 11.918 764 HA ASP 104 HA ASP 104 0.551 -18.596 11.077 765 HB2 ASP 104 1HB ASP 104 -1.879 -18.685 11.316 766 HB3 ASP 104 2HB ASP 104 -1.771 -17.858 12.870 767 HA PRO 105 HA PRO 105 2.996 -16.825 14.676 768 HB2 PRO 105 1HB PRO 105 5.538 -17.451 13.894 769 HB3 PRO 105 2HB PRO 105 4.484 -18.595 14.776 770 HG2 PRO 105 1HG PRO 105 4.945 -18.437 11.777 771 HG3 PRO 105 2HG PRO 105 5.039 -19.882 12.836 772 HD2 PRO 105 1HD PRO 105 2.782 -19.296 11.425 773 HD3 PRO 105 2HD PRO 105 2.702 -19.984 13.071 774 H ARG 106 H ARG 106 3.170 -16.568 11.207 775 HA ARG 106 HA ARG 106 4.122 -15.066 9.737 776 HE ARG 106 HE ARG 106 0.731 -11.713 9.169 777 HB2 ARG 106 1HB ARG 106 2.841 -13.076 9.633 778 HB3 ARG 106 2HB ARG 106 1.842 -14.467 10.029 779 HG2 ARG 106 1HG ARG 106 1.772 -13.733 12.417 780 HG3 ARG 106 2HG ARG 106 2.714 -12.296 11.989 781 HD2 ARG 106 1HD ARG 106 -0.030 -13.068 10.910 782 HD3 ARG 106 2HD ARG 106 0.289 -11.802 12.086 783 HH11 ARG 106 1HH1 ARG 106 1.391 -10.006 12.162 784 HH12 ARG 106 2HH1 ARG 106 1.834 -8.546 11.322 785 HH21 ARG 106 1HH2 ARG 106 1.369 -9.896 8.183 786 HH22 ARG 106 2HH2 ARG 106 1.791 -8.473 9.108 787 H GLN 107 H GLN 107 6.135 -15.500 11.326 788 HA GLN 107 HA GLN 107 7.475 -13.520 12.662 789 HB2 GLN 107 1HB GLN 107 9.526 -14.698 12.108 790 HB3 GLN 107 2HB GLN 107 8.230 -15.833 12.464 791 HG2 GLN 107 1HG GLN 107 7.891 -16.230 10.027 792 HG3 GLN 107 2HG GLN 107 9.191 -15.101 9.653 793 HE21 GLN 107 1HE2 GLN 107 8.882 -18.117 9.167 794 HE22 GLN 107 2HE2 GLN 107 10.368 -18.770 9.852 Start of MODEL 12 1 HA CYS 2 HA CYS 2 -1.283 14.944 -10.680 2 H1 CYS 2 1H CYS 2 -1.144 15.672 -7.925 3 HB2 CYS 2 1HB CYS 2 -0.120 17.355 -10.735 4 HB3 CYS 2 2HB CYS 2 -1.821 17.108 -10.464 5 H GLY 3 H GLY 3 0.714 13.676 -8.698 6 HA2 GLY 3 1HA GLY 3 2.671 12.474 -8.933 7 HA3 GLY 3 2HA GLY 3 2.866 13.047 -10.581 8 H ASP 4 H ASP 4 2.728 15.922 -9.803 9 HA ASP 4 HA ASP 4 5.463 16.400 -8.881 10 HB2 ASP 4 1HB ASP 4 3.053 18.169 -9.394 11 HB3 ASP 4 2HB ASP 4 4.536 18.801 -8.675 12 H CYS 5 H CYS 5 2.431 15.742 -7.323 13 HA CYS 5 HA CYS 5 2.761 16.916 -4.802 14 HB2 CYS 5 1HB CYS 5 1.421 14.266 -5.549 15 HB3 CYS 5 2HB CYS 5 1.257 15.079 -4.033 16 H VAL 6 H VAL 6 4.329 14.074 -6.208 17 HA VAL 6 HA VAL 6 5.331 13.165 -3.536 18 HB VAL 6 HB VAL 6 5.614 11.012 -4.392 19 HG11 VAL 6 1HG1 VAL 6 2.850 12.019 -5.178 20 HG12 VAL 6 2HG1 VAL 6 3.288 10.358 -4.791 21 HG13 VAL 6 3HG1 VAL 6 3.386 11.603 -3.540 22 HG21 VAL 6 3HG2 VAL 6 4.428 11.816 -7.067 23 HG22 VAL 6 1HG2 VAL 6 6.150 11.449 -6.806 24 HG23 VAL 6 2HG2 VAL 6 4.930 10.204 -6.551 25 H GLU 7 H GLU 7 7.535 13.000 -3.146 26 HA GLU 7 HA GLU 7 9.412 14.428 -4.787 27 HB2 GLU 7 1HB GLU 7 9.713 14.344 -2.417 28 HB3 GLU 7 2HB GLU 7 9.752 12.595 -2.376 29 HG2 GLU 7 1HG GLU 7 11.872 12.528 -3.478 30 HG3 GLU 7 2HG GLU 7 11.816 14.261 -3.843 31 H LYS 8 H LYS 8 8.678 10.972 -4.428 32 HA LYS 8 HA LYS 8 10.033 10.376 -7.018 33 HB2 LYS 8 1HB LYS 8 10.299 8.806 -4.410 34 HB3 LYS 8 2HB LYS 8 10.710 8.149 -5.998 35 HG2 LYS 8 1HG LYS 8 12.392 9.957 -6.315 36 HG3 LYS 8 2HG LYS 8 12.019 10.573 -4.695 37 HD2 LYS 8 1HD LYS 8 12.710 8.402 -3.706 38 HD3 LYS 8 2HD LYS 8 13.114 7.800 -5.331 39 HE2 LYS 8 1HE LYS 8 14.755 9.650 -5.602 40 HE3 LYS 8 2HE LYS 8 14.354 10.247 -3.986 41 HZ1 LYS 8 3HZ LYS 8 16.349 8.861 -3.956 42 HZ2 LYS 8 1HZ LYS 8 15.542 7.584 -4.567 43 HZ3 LYS 8 2HZ LYS 8 15.180 8.144 -3.073 44 H GLU 9 H GLU 9 8.970 8.878 -8.245 45 HA GLU 9 HA GLU 9 6.156 8.274 -7.587 46 HB2 GLU 9 1HB GLU 9 7.974 7.844 -9.992 47 HB3 GLU 9 2HB GLU 9 6.387 7.082 -9.907 48 HG2 GLU 9 1HG GLU 9 5.221 8.976 -10.199 49 HG3 GLU 9 2HG GLU 9 6.387 10.016 -9.384 50 H TYR 10 H TYR 10 5.543 6.443 -6.573 51 HA TYR 10 HA TYR 10 5.685 4.453 -5.470 52 HD1 TYR 10 HD1 TYR 10 5.254 5.388 -9.206 53 HD2 TYR 10 HD2 TYR 10 3.675 2.060 -6.933 54 HE1 TYR 10 HE1 TYR 10 3.039 5.776 -10.191 55 HE2 TYR 10 HE2 TYR 10 1.430 2.481 -7.911 56 HH TYR 10 HH TYR 10 0.187 3.741 -9.375 57 HB2 TYR 10 1HB TYR 10 6.747 3.433 -8.107 58 HB3 TYR 10 2HB TYR 10 5.968 2.510 -6.857 59 HA PRO 11 HA PRO 11 10.275 4.803 -4.581 60 HB2 PRO 11 1HB PRO 11 10.021 5.513 -1.932 61 HB3 PRO 11 2HB PRO 11 9.976 6.707 -3.283 62 HG2 PRO 11 1HG PRO 11 7.619 5.400 -1.890 63 HG3 PRO 11 2HG PRO 11 7.934 7.144 -2.142 64 HD2 PRO 11 1HD PRO 11 6.370 5.811 -3.860 65 HD3 PRO 11 2HD PRO 11 7.591 6.919 -4.516 66 H ASN 12 H ASN 12 11.485 3.095 -3.568 67 HA ASN 12 HA ASN 12 9.887 0.808 -2.650 68 HB2 ASN 12 1HB ASN 12 12.907 1.273 -2.857 69 HB3 ASN 12 2HB ASN 12 12.176 -0.241 -2.332 70 HD21 ASN 12 1HD2 ASN 12 13.825 -0.536 -4.360 71 HD22 ASN 12 2HD2 ASN 12 12.947 -0.750 -5.865 72 H ARG 13 H ARG 13 9.750 -0.005 -0.558 73 HA ARG 13 HA ARG 13 10.634 1.833 1.649 74 HE ARG 13 HE ARG 13 8.364 4.183 3.078 75 HB2 ARG 13 1HB ARG 13 8.056 0.238 1.518 76 HB3 ARG 13 2HB ARG 13 8.558 1.349 2.788 77 HG2 ARG 13 1HG ARG 13 7.687 2.024 -0.012 78 HG3 ARG 13 2HG ARG 13 6.914 2.423 1.518 79 HD2 ARG 13 1HD ARG 13 9.394 3.665 0.305 80 HD3 ARG 13 2HD ARG 13 7.878 4.433 0.681 81 HH11 ARG 13 1HH1 ARG 13 11.192 3.954 0.965 82 HH12 ARG 13 2HH1 ARG 13 12.240 4.572 2.212 83 HH21 ARG 13 1HH2 ARG 13 9.813 4.795 4.622 84 HH22 ARG 13 2HH2 ARG 13 11.496 4.970 4.227 85 H GLY 14 H GLY 14 12.133 -0.432 0.746 86 HA2 GLY 14 1HA GLY 14 13.335 -2.202 1.662 87 HA3 GLY 14 2HA GLY 14 12.993 -1.469 3.236 88 H ASN 15 H ASN 15 10.679 -2.763 0.949 89 HA ASN 15 HA ASN 15 9.340 -4.526 0.795 90 HB2 ASN 15 1HB ASN 15 10.580 -5.785 3.272 91 HB3 ASN 15 2HB ASN 15 9.557 -6.531 2.079 92 HD21 ASN 15 1HD2 ASN 15 11.336 -8.099 2.236 93 HD22 ASN 15 2HD2 ASN 15 12.667 -7.881 1.085 94 H THR 16 H THR 16 8.909 -2.134 2.928 95 HA THR 16 HA THR 16 6.909 -3.180 4.749 96 HB THR 16 HB THR 16 7.482 -0.348 3.794 97 HG1 THR 16 HG1 THR 16 9.210 -0.989 4.855 98 HG21 THR 16 3HG2 THR 16 6.444 0.323 5.984 99 HG22 THR 16 1HG2 THR 16 5.808 -1.331 6.128 100 HG23 THR 16 2HG2 THR 16 5.310 -0.275 4.775 101 H CYS 17 H CYS 17 4.848 -3.896 4.157 102 HA CYS 17 HA CYS 17 3.482 -2.542 1.876 103 HG CYS 17 HG CYS 17 5.711 -5.026 1.828 104 HB2 CYS 17 1HB CYS 17 3.306 -5.441 2.769 105 HB3 CYS 17 2HB CYS 17 2.428 -4.710 1.418 106 H LEU 18 H LEU 18 1.974 -1.234 2.704 107 HA LEU 18 HA LEU 18 0.337 -2.026 5.093 108 HG LEU 18 HG LEU 18 0.985 -0.304 7.056 109 HB2 LEU 18 1HB LEU 18 1.680 0.521 4.224 110 HB3 LEU 18 2HB LEU 18 0.165 0.650 5.076 111 HD11 LEU 18 1HD1 LEU 18 3.423 -1.131 5.485 112 HD12 LEU 18 2HD1 LEU 18 2.322 -2.144 6.442 113 HD13 LEU 18 3HD1 LEU 18 3.418 -1.034 7.266 114 HD21 LEU 18 3HD2 LEU 18 1.627 2.045 6.589 115 HD22 LEU 18 1HD2 LEU 18 3.172 1.481 5.912 116 HD23 LEU 18 2HD2 LEU 18 2.802 1.230 7.633 117 H GLU 19 H GLU 19 -1.751 -1.704 5.166 118 HA GLU 19 HA GLU 19 -3.233 -1.153 2.651 119 HB2 GLU 19 1HB GLU 19 -5.089 -2.234 3.705 120 HB3 GLU 19 2HB GLU 19 -3.684 -3.240 3.968 121 HG2 GLU 19 1HG GLU 19 -3.455 -2.325 6.250 122 HG3 GLU 19 2HG GLU 19 -4.922 -1.365 5.984 123 H ASN 20 H ASN 20 -2.165 0.696 5.217 124 HA ASN 20 HA ASN 20 -4.251 2.747 4.772 125 HB2 ASN 20 1HB ASN 20 -3.766 1.324 7.410 126 HB3 ASN 20 2HB ASN 20 -4.228 3.016 7.423 127 HD21 ASN 20 1HD2 ASN 20 -5.634 0.222 7.992 128 HD22 ASN 20 2HD2 ASN 20 -7.213 0.541 7.299 129 H GLY 21 H GLY 21 -3.705 4.835 5.455 130 HA2 GLY 21 1HA GLY 21 -2.214 6.367 6.632 131 HA3 GLY 21 2HA GLY 21 -0.840 5.380 6.148 132 H SER 22 H SER 22 -0.246 7.672 5.612 133 HA SER 22 HA SER 22 -0.334 8.101 2.700 134 HG SER 22 HG SER 22 -2.863 8.930 3.781 135 HB2 SER 22 1HB SER 22 -1.191 10.248 4.697 136 HB3 SER 22 2HB SER 22 -0.657 10.576 3.047 137 H PHE 23 H PHE 23 1.800 8.131 2.234 138 HA PHE 23 HA PHE 23 3.742 8.481 4.285 139 HD1 PHE 23 HD1 PHE 23 5.712 7.970 4.733 140 HD2 PHE 23 HD2 PHE 23 6.204 7.234 0.510 141 HE1 PHE 23 HE1 PHE 23 8.129 7.652 5.066 142 HE2 PHE 23 HE2 PHE 23 8.643 6.955 0.846 143 HZ PHE 23 HZ PHE 23 9.628 7.293 3.122 144 HB2 PHE 23 1HB PHE 23 3.820 6.869 2.434 145 HB3 PHE 23 2HB PHE 23 4.139 8.164 1.303 146 H LEU 24 H LEU 24 3.341 10.593 5.023 147 HA LEU 24 HA LEU 24 3.606 12.954 3.663 148 HG LEU 24 HG LEU 24 2.314 11.621 6.481 149 HB2 LEU 24 1HB LEU 24 4.567 12.480 6.507 150 HB3 LEU 24 2HB LEU 24 4.069 14.011 5.802 151 HD11 LEU 24 1HD1 LEU 24 1.215 13.210 7.985 152 HD12 LEU 24 2HD1 LEU 24 2.305 14.507 7.446 153 HD13 LEU 24 3HD1 LEU 24 2.949 13.110 8.338 154 HD21 LEU 24 3HD2 LEU 24 1.420 12.527 4.386 155 HD22 LEU 24 1HD2 LEU 24 1.488 14.181 5.045 156 HD23 LEU 24 2HD2 LEU 24 0.374 12.971 5.727 157 H LEU 25 H LEU 25 6.330 10.964 4.638 158 HA LEU 25 HA LEU 25 8.367 12.999 4.241 159 HG LEU 25 HG LEU 25 7.932 10.858 6.525 160 HB2 LEU 25 1HB LEU 25 8.515 9.974 4.306 161 HB3 LEU 25 2HB LEU 25 9.922 10.995 4.215 162 HD11 LEU 25 1HD1 LEU 25 10.882 10.112 6.334 163 HD12 LEU 25 2HD1 LEU 25 9.524 8.968 6.365 164 HD13 LEU 25 3HD1 LEU 25 9.852 9.978 7.778 165 HD21 LEU 25 3HD2 LEU 25 10.404 12.618 6.207 166 HD22 LEU 25 1HD2 LEU 25 9.536 12.348 7.735 167 HD23 LEU 25 2HD2 LEU 25 8.721 13.167 6.405 168 H ASN 26 H ASN 26 6.556 11.078 1.966 169 HA ASN 26 HA ASN 26 8.488 11.760 -0.239 170 HB2 ASN 26 1HB ASN 26 7.717 9.390 -0.007 171 HB3 ASN 26 2HB ASN 26 6.062 9.910 -0.263 172 HD21 ASN 26 1HD2 ASN 26 5.864 8.687 -2.278 173 HD22 ASN 26 2HD2 ASN 26 6.756 9.210 -3.714 174 H PHE 27 H PHE 27 5.185 12.268 1.007 175 HA PHE 27 HA PHE 27 4.268 13.815 -1.243 176 HD1 PHE 27 HD1 PHE 27 2.105 14.384 -1.891 177 HD2 PHE 27 HD2 PHE 27 1.966 15.717 2.197 178 HE1 PHE 27 HE1 PHE 27 0.290 16.026 -2.496 179 HE2 PHE 27 HE2 PHE 27 0.197 17.362 1.584 180 HZ PHE 27 HZ PHE 27 -0.662 17.472 -0.733 181 HB2 PHE 27 1HB PHE 27 2.737 12.872 0.426 182 HB3 PHE 27 2HB PHE 27 3.382 13.939 1.654 183 H THR 28 H THR 28 5.276 15.589 -1.943 184 HA THR 28 HA THR 28 6.688 17.426 -0.050 185 HB THR 28 HB THR 28 7.446 18.533 -2.241 186 HG1 THR 28 HG1 THR 28 6.036 17.626 -3.713 187 HG21 THR 28 3HG2 THR 28 9.130 16.749 -2.635 188 HG22 THR 28 1HG2 THR 28 8.181 15.663 -1.589 189 HG23 THR 28 2HG2 THR 28 8.914 17.134 -0.919 190 H GLY 29 H GLY 29 3.618 17.118 -0.834 191 HA2 GLY 29 1HA GLY 29 1.904 18.651 -0.358 192 HA3 GLY 29 2HA GLY 29 2.957 20.017 -0.668 193 H CYS 30 H CYS 30 0.347 19.475 -1.781 194 HA CYS 30 HA CYS 30 0.224 18.351 -4.296 195 HB2 CYS 30 1HB CYS 30 -1.605 19.280 -2.688 196 HB3 CYS 30 2HB CYS 30 -1.324 20.822 -3.450 197 H ALA 31 H ALA 31 -0.396 19.455 -6.243 198 HA ALA 31 HA ALA 31 1.159 21.926 -6.820 199 HB1 ALA 31 3HB ALA 31 2.299 19.760 -7.706 200 HB2 ALA 31 1HB ALA 31 1.052 19.881 -8.988 201 HB3 ALA 31 2HB ALA 31 2.174 21.212 -8.742 202 H VAL 32 H VAL 32 -1.887 20.346 -6.963 203 HA VAL 32 HA VAL 32 -2.926 22.042 -9.101 204 HB VAL 32 HB VAL 32 -4.261 20.246 -7.042 205 HG11 VAL 32 1HG1 VAL 32 -5.829 22.118 -7.304 206 HG12 VAL 32 2HG1 VAL 32 -5.738 21.971 -9.075 207 HG13 VAL 32 3HG1 VAL 32 -6.444 20.664 -8.082 208 HG21 VAL 32 3HG2 VAL 32 -5.063 19.027 -9.015 209 HG22 VAL 32 1HG2 VAL 32 -4.287 20.213 -10.094 210 HG23 VAL 32 2HG2 VAL 32 -3.304 19.165 -9.052 211 H CYS 33 H CYS 33 -2.650 22.149 -5.576 212 HA CYS 33 HA CYS 33 -3.481 25.016 -5.569 213 HB2 CYS 33 1HB CYS 33 -4.543 24.622 -3.472 214 HB3 CYS 33 2HB CYS 33 -5.201 23.483 -4.660 215 H SER 34 H SER 34 -1.044 22.777 -4.562 216 HA SER 34 HA SER 34 1.040 23.124 -3.720 217 HG SER 34 HG SER 34 2.563 25.019 -2.498 218 HB2 SER 34 1HB SER 34 0.777 25.488 -4.663 219 HB3 SER 34 2HB SER 34 0.536 25.985 -2.978 220 H LYS 35 H LYS 35 -1.477 22.540 -1.884 221 HA LYS 35 HA LYS 35 -0.466 23.380 0.779 222 HB2 LYS 35 1HB LYS 35 -2.810 21.724 -0.197 223 HB3 LYS 35 2HB LYS 35 -2.378 21.800 1.501 224 HG2 LYS 35 1HG LYS 35 -2.429 24.514 0.414 225 HG3 LYS 35 2HG LYS 35 -3.934 23.676 0.034 226 HD2 LYS 35 1HD LYS 35 -4.322 23.133 2.347 227 HD3 LYS 35 2HD LYS 35 -2.723 23.778 2.811 228 HE2 LYS 35 1HE LYS 35 -3.440 26.031 1.952 229 HE3 LYS 35 2HE LYS 35 -5.042 25.370 1.605 230 HZ1 LYS 35 3HZ LYS 35 -3.801 25.524 4.304 231 HZ2 LYS 35 1HZ LYS 35 -5.284 24.906 3.992 232 HZ3 LYS 35 2HZ LYS 35 -4.992 26.494 3.756 233 H ARG 36 H ARG 36 0.387 22.103 2.372 234 HA ARG 36 HA ARG 36 1.204 19.299 1.712 235 HE ARG 36 HE ARG 36 5.309 17.267 2.223 236 HB2 ARG 36 1HB ARG 36 3.093 20.925 1.650 237 HB3 ARG 36 2HB ARG 36 2.872 21.157 3.394 238 HG2 ARG 36 1HG ARG 36 3.422 18.865 3.866 239 HG3 ARG 36 2HG ARG 36 3.176 18.380 2.174 240 HD2 ARG 36 1HD ARG 36 5.115 19.729 1.521 241 HD3 ARG 36 2HD ARG 36 5.417 20.111 3.229 242 HH11 ARG 36 1HH1 ARG 36 7.292 19.679 3.826 243 HH12 ARG 36 2HH1 ARG 36 8.432 18.474 4.362 244 HH21 ARG 36 1HH2 ARG 36 6.687 15.824 2.989 245 HH22 ARG 36 2HH2 ARG 36 8.114 16.334 3.859 246 H ASP 37 H ASP 37 1.451 17.915 3.665 247 HA ASP 37 HA ASP 37 0.406 16.796 5.294 248 HB2 ASP 37 1HB ASP 37 0.413 17.692 7.468 249 HB3 ASP 37 2HB ASP 37 1.883 18.098 6.609 250 H PHE 38 H PHE 38 -1.274 17.899 3.402 251 HA PHE 38 HA PHE 38 -3.952 17.958 4.706 252 HD1 PHE 38 HD1 PHE 38 -2.387 20.312 5.415 253 HD2 PHE 38 HD2 PHE 38 -5.896 20.834 2.972 254 HE1 PHE 38 HE1 PHE 38 -3.124 22.174 6.864 255 HE2 PHE 38 HE2 PHE 38 -6.628 22.708 4.405 256 HZ PHE 38 HZ PHE 38 -5.250 23.375 6.384 257 HB2 PHE 38 1HB PHE 38 -2.775 19.664 2.563 258 HB3 PHE 38 2HB PHE 38 -4.438 19.179 2.386 259 H MET 39 H MET 39 -4.516 15.871 4.519 260 HA MET 39 HA MET 39 -5.368 15.019 1.913 261 HB2 MET 39 1HB MET 39 -4.221 12.723 2.037 262 HB3 MET 39 2HB MET 39 -3.341 14.075 1.409 263 HG2 MET 39 1HG MET 39 -2.967 13.793 4.330 264 HG3 MET 39 2HG MET 39 -2.585 12.313 3.473 265 HE1 MET 39 3HE MET 39 -1.200 13.600 0.590 266 HE2 MET 39 1HE MET 39 0.384 13.131 1.236 267 HE3 MET 39 2HE MET 39 -1.027 12.098 1.524 268 H LEU 40 H LEU 40 -6.676 13.384 1.761 269 HA LEU 40 HA LEU 40 -7.991 12.069 4.096 270 HG LEU 40 HG LEU 40 -10.493 14.739 3.158 271 HB2 LEU 40 1HB LEU 40 -9.074 13.667 1.750 272 HB3 LEU 40 2HB LEU 40 -9.989 12.326 2.308 273 HD11 LEU 40 1HD1 LEU 40 -11.521 13.733 5.192 274 HD12 LEU 40 2HD1 LEU 40 -10.498 12.291 5.001 275 HD13 LEU 40 3HD1 LEU 40 -11.740 12.683 3.789 276 HD21 LEU 40 3HD2 LEU 40 -9.675 15.212 5.376 277 HD22 LEU 40 1HD2 LEU 40 -8.346 15.194 4.196 278 HD23 LEU 40 2HD2 LEU 40 -8.578 13.828 5.313 279 H ILE 41 H ILE 41 -9.214 10.131 3.342 280 HA ILE 41 HA ILE 41 -8.141 8.775 0.914 281 HB ILE 41 HB ILE 41 -8.446 7.693 3.734 282 HG12 ILE 41 1HG1 ILE 41 -6.041 7.624 1.847 283 HG13 ILE 41 2HG1 ILE 41 -6.278 8.830 3.110 284 HG21 ILE 41 1HG2 ILE 41 -8.102 6.143 1.121 285 HG22 ILE 41 2HG2 ILE 41 -7.845 5.430 2.726 286 HG23 ILE 41 3HG2 ILE 41 -9.437 6.007 2.279 287 HD11 ILE 41 3HD1 ILE 41 -4.784 7.228 4.004 288 HD12 ILE 41 1HD1 ILE 41 -6.334 6.979 4.822 289 HD13 ILE 41 2HD1 ILE 41 -5.807 5.863 3.536 290 H THR 42 H THR 42 -9.726 7.869 -0.289 291 HA THR 42 HA THR 42 -12.375 7.328 0.870 292 HB THR 42 HB THR 42 -12.213 9.810 0.025 293 HG1 THR 42 HG1 THR 42 -14.409 9.626 -0.401 294 HG21 THR 42 3HG2 THR 42 -12.623 10.259 -2.211 295 HG22 THR 42 1HG2 THR 42 -13.254 8.643 -2.559 296 HG23 THR 42 2HG2 THR 42 -11.513 8.880 -2.379 297 H ASN 43 H ASN 43 -13.881 6.495 -0.894 298 HA ASN 43 HA ASN 43 -14.460 4.774 -2.177 299 HB2 ASN 43 1HB ASN 43 -14.200 5.302 -4.300 300 HB3 ASN 43 2HB ASN 43 -13.198 6.631 -3.733 301 HD21 ASN 43 1HD2 ASN 43 -10.758 5.684 -3.273 302 HD22 ASN 43 2HD2 ASN 43 -10.110 4.975 -4.759 303 H LYS 44 H LYS 44 -12.327 4.221 -0.160 304 HA LYS 44 HA LYS 44 -10.576 2.183 -0.859 305 HB2 LYS 44 1HB LYS 44 -10.873 3.511 1.350 306 HB3 LYS 44 2HB LYS 44 -12.076 2.283 1.764 307 HG2 LYS 44 1HG LYS 44 -10.232 0.527 1.299 308 HG3 LYS 44 2HG LYS 44 -9.118 1.894 1.280 309 HD2 LYS 44 1HD LYS 44 -9.966 2.501 3.618 310 HD3 LYS 44 2HD LYS 44 -10.834 0.955 3.591 311 HE2 LYS 44 1HE LYS 44 -8.795 0.451 4.681 312 HE3 LYS 44 2HE LYS 44 -8.597 -0.160 3.035 313 HZ1 LYS 44 3HZ LYS 44 -7.444 2.309 4.208 314 HZ2 LYS 44 1HZ LYS 44 -7.425 2.043 2.576 315 HZ3 LYS 44 2HZ LYS 44 -6.635 1.052 3.610 316 H SER 45 H SER 45 -10.886 0.367 -1.825 317 HA SER 45 HA SER 45 -13.265 -1.342 -1.241 318 HG SER 45 HG SER 45 -13.497 -0.743 -4.680 319 HB2 SER 45 1HB SER 45 -11.458 -1.101 -3.681 320 HB3 SER 45 2HB SER 45 -12.567 -2.459 -3.434 321 H LEU 46 H LEU 46 -13.002 -3.569 -1.128 322 HA LEU 46 HA LEU 46 -10.329 -4.650 -0.579 323 HG LEU 46 HG LEU 46 -10.401 -6.651 1.116 324 HB2 LEU 46 1HB LEU 46 -10.996 -4.030 1.597 325 HB3 LEU 46 2HB LEU 46 -12.633 -4.625 1.391 326 HD11 LEU 46 1HD1 LEU 46 -9.695 -5.332 3.090 327 HD12 LEU 46 2HD1 LEU 46 -10.228 -6.954 3.545 328 HD13 LEU 46 3HD1 LEU 46 -11.300 -5.557 3.816 329 HD21 LEU 46 3HD2 LEU 46 -13.098 -6.748 2.529 330 HD22 LEU 46 1HD2 LEU 46 -11.959 -8.099 2.353 331 HD23 LEU 46 2HD2 LEU 46 -12.740 -7.423 0.928 332 H LYS 47 H LYS 47 -10.068 -6.695 -1.202 333 HA LYS 47 HA LYS 47 -12.366 -8.253 -2.245 334 HB2 LYS 47 1HB LYS 47 -10.511 -6.885 -3.855 335 HB3 LYS 47 2HB LYS 47 -9.864 -8.510 -3.795 336 HG2 LYS 47 1HG LYS 47 -12.194 -9.335 -4.421 337 HG3 LYS 47 2HG LYS 47 -12.632 -7.633 -4.651 338 HD2 LYS 47 1HD LYS 47 -12.154 -8.446 -6.816 339 HD3 LYS 47 2HD LYS 47 -10.716 -7.511 -6.366 340 HE2 LYS 47 1HE LYS 47 -9.566 -9.621 -5.708 341 HE3 LYS 47 2HE LYS 47 -11.036 -10.536 -6.054 342 HZ1 LYS 47 3HZ LYS 47 -9.368 -9.112 -8.052 343 HZ2 LYS 47 1HZ LYS 47 -10.806 -9.822 -8.397 344 HZ3 LYS 47 2HZ LYS 47 -9.559 -10.739 -7.873 345 H GLU 48 H GLU 48 -12.133 -10.493 -2.209 346 HA GLU 48 HA GLU 48 -9.646 -11.574 -0.949 347 HB2 GLU 48 1HB GLU 48 -12.444 -12.130 0.104 348 HB3 GLU 48 2HB GLU 48 -10.962 -12.928 0.632 349 HG2 GLU 48 1HG GLU 48 -10.093 -10.755 1.465 350 HG3 GLU 48 2HG GLU 48 -11.602 -9.979 0.985 351 H GLU 49 H GLU 49 -8.919 -13.114 -2.257 352 HA GLU 49 HA GLU 49 -10.825 -15.073 -3.475 353 HB2 GLU 49 1HB GLU 49 -8.295 -13.980 -4.743 354 HB3 GLU 49 2HB GLU 49 -9.178 -15.423 -5.276 355 HG2 GLU 49 1HG GLU 49 -11.233 -13.997 -5.579 356 HG3 GLU 49 2HG GLU 49 -10.255 -12.573 -5.211 357 H ASP 50 H ASP 50 -10.614 -17.032 -2.698 358 HA ASP 50 HA ASP 50 -9.803 -18.868 -1.602 359 HB2 ASP 50 1HB ASP 50 -9.121 -18.821 -4.089 360 HB3 ASP 50 2HB ASP 50 -7.494 -18.433 -3.534 361 H GLY 51 H GLY 51 -8.671 -16.418 -0.277 362 HA2 GLY 51 1HA GLY 51 -7.562 -16.728 1.959 363 HA3 GLY 51 2HA GLY 51 -6.274 -17.608 1.128 364 H GLU 52 H GLU 52 -6.600 -15.540 -1.173 365 HA GLU 52 HA GLU 52 -4.591 -13.640 -0.255 366 HB2 GLU 52 1HB GLU 52 -4.526 -14.511 -2.560 367 HB3 GLU 52 2HB GLU 52 -6.168 -13.903 -2.842 368 HG2 GLU 52 1HG GLU 52 -5.332 -11.554 -2.565 369 HG3 GLU 52 2HG GLU 52 -3.713 -12.181 -2.423 370 H GLU 53 H GLU 53 -4.915 -11.551 0.315 371 HA GLU 53 HA GLU 53 -7.698 -10.449 0.353 372 HB2 GLU 53 1HB GLU 53 -5.451 -10.012 2.369 373 HB3 GLU 53 2HB GLU 53 -6.997 -9.154 2.341 374 HG2 GLU 53 1HG GLU 53 -8.181 -11.346 2.645 375 HG3 GLU 53 2HG GLU 53 -6.616 -12.148 2.781 376 H ILE 54 H ILE 54 -7.945 -8.579 -0.763 377 HA ILE 54 HA ILE 54 -5.492 -7.083 -1.549 378 HB ILE 54 HB ILE 54 -7.989 -7.393 -3.261 379 HG12 ILE 54 1HG1 ILE 54 -6.065 -8.607 -4.734 380 HG13 ILE 54 2HG1 ILE 54 -5.408 -8.994 -3.151 381 HG21 ILE 54 1HG2 ILE 54 -6.826 -5.327 -3.624 382 HG22 ILE 54 2HG2 ILE 54 -5.257 -6.157 -3.638 383 HG23 ILE 54 3HG2 ILE 54 -6.421 -6.396 -4.965 384 HD11 ILE 54 3HD1 ILE 54 -7.565 -10.186 -2.607 385 HD12 ILE 54 1HD1 ILE 54 -8.179 -9.724 -4.209 386 HD13 ILE 54 2HD1 ILE 54 -6.818 -10.808 -4.088 387 H VAL 55 H VAL 55 -5.546 -4.898 -1.325 388 HA VAL 55 HA VAL 55 -8.105 -3.558 -0.537 389 HB VAL 55 HB VAL 55 -5.379 -3.088 0.745 390 HG11 VAL 55 1HG1 VAL 55 -6.620 -1.649 2.306 391 HG12 VAL 55 2HG1 VAL 55 -6.721 -1.059 0.643 392 HG13 VAL 55 3HG1 VAL 55 -8.115 -1.911 1.365 393 HG21 VAL 55 3HG2 VAL 55 -7.842 -4.490 1.854 394 HG22 VAL 55 1HG2 VAL 55 -6.236 -5.205 1.574 395 HG23 VAL 55 2HG2 VAL 55 -6.446 -3.983 2.830 396 H THR 56 H THR 56 -8.513 -2.039 -2.013 397 HA THR 56 HA THR 56 -6.223 -0.512 -3.177 398 HB THR 56 HB THR 56 -7.262 -0.368 -5.300 399 HG1 THR 56 HG1 THR 56 -9.097 -1.618 -5.768 400 HG21 THR 56 3HG2 THR 56 -5.785 -2.369 -4.701 401 HG22 THR 56 1HG2 THR 56 -6.875 -2.614 -6.075 402 HG23 THR 56 2HG2 THR 56 -7.268 -3.317 -4.495 403 H TYR 57 H TYR 57 -6.326 1.678 -3.160 404 HA TYR 57 HA TYR 57 -8.891 3.059 -2.807 405 HD1 TYR 57 HD1 TYR 57 -6.417 1.137 0.003 406 HD2 TYR 57 HD2 TYR 57 -6.428 5.442 -0.250 407 HE1 TYR 57 HE1 TYR 57 -4.402 1.246 1.472 408 HE2 TYR 57 HE2 TYR 57 -4.438 5.543 1.220 409 HH TYR 57 HH TYR 57 -2.943 4.362 2.464 410 HB2 TYR 57 1HB TYR 57 -8.464 4.120 -0.751 411 HB3 TYR 57 2HB TYR 57 -8.463 2.397 -0.579 412 H ASP 58 H ASP 58 -8.165 5.538 -2.079 413 HA ASP 58 HA ASP 58 -6.021 6.488 -3.926 414 HB2 ASP 58 1HB ASP 58 -8.970 7.361 -3.799 415 HB3 ASP 58 2HB ASP 58 -7.708 8.290 -4.583 416 H HIS 59 H HIS 59 -5.393 8.675 -3.410 417 HA HIS 59 HA HIS 59 -6.045 9.627 -0.636 418 HD1 HIS 59 HD1 HIS 59 -3.101 8.985 1.283 419 HD2 HIS 59 HD2 HIS 59 -2.789 7.635 -2.692 420 HE1 HIS 59 HE1 HIS 59 -1.628 6.928 1.323 421 HB2 HIS 59 1HB HIS 59 -3.544 10.231 -2.251 422 HB3 HIS 59 2HB HIS 59 -3.881 10.691 -0.598 423 H LEU 60 H LEU 60 -6.638 11.804 -0.417 424 HA LEU 60 HA LEU 60 -6.990 13.430 -2.904 425 HG LEU 60 HG LEU 60 -9.017 12.433 -3.749 426 HB2 LEU 60 1HB LEU 60 -9.060 12.877 -0.736 427 HB3 LEU 60 2HB LEU 60 -9.143 14.214 -1.873 428 HD11 LEU 60 1HD1 LEU 60 -10.041 10.284 -3.175 429 HD12 LEU 60 2HD1 LEU 60 -10.085 10.727 -1.440 430 HD13 LEU 60 3HD1 LEU 60 -8.552 10.430 -2.271 431 HD21 LEU 60 3HD2 LEU 60 -11.478 12.645 -1.962 432 HD22 LEU 60 1HD2 LEU 60 -11.453 12.157 -3.676 433 HD23 LEU 60 2HD2 LEU 60 -10.999 13.799 -3.221 434 H CYS 61 H CYS 61 -6.463 15.522 -2.714 435 HA CYS 61 HA CYS 61 -5.082 16.574 -0.464 436 HB2 CYS 61 1HB CYS 61 -5.024 17.164 -2.970 437 HB3 CYS 61 2HB CYS 61 -6.506 18.074 -2.709 438 H LYS 62 H LYS 62 -5.831 17.344 1.447 439 HA LYS 62 HA LYS 62 -8.659 17.489 2.046 440 HB2 LYS 62 1HB LYS 62 -7.159 16.967 3.811 441 HB3 LYS 62 2HB LYS 62 -6.143 18.346 3.489 442 HG2 LYS 62 1HG LYS 62 -7.242 18.712 5.546 443 HG3 LYS 62 2HG LYS 62 -7.835 19.885 4.382 444 HD2 LYS 62 1HD LYS 62 -9.835 18.300 4.020 445 HD3 LYS 62 2HD LYS 62 -9.254 17.404 5.424 446 HE2 LYS 62 1HE LYS 62 -9.988 20.366 5.398 447 HE3 LYS 62 2HE LYS 62 -11.066 19.073 5.923 448 HZ1 LYS 62 3HZ LYS 62 -8.479 19.753 7.220 449 HZ2 LYS 62 1HZ LYS 62 -9.468 18.532 7.686 450 HZ3 LYS 62 2HZ LYS 62 -9.959 20.081 7.815 451 H ASN 63 H ASN 63 -6.704 19.694 0.317 452 HA ASN 63 HA ASN 63 -8.308 22.077 1.057 453 HB2 ASN 63 1HB ASN 63 -5.937 22.377 1.067 454 HB3 ASN 63 2HB ASN 63 -5.768 21.745 -0.564 455 HD21 ASN 63 1HD2 ASN 63 -5.505 23.349 -2.072 456 HD22 ASN 63 2HD2 ASN 63 -6.272 24.936 -1.941 457 H CYS 64 H CYS 64 -7.075 20.746 -2.110 458 HA CYS 64 HA CYS 64 -9.481 21.802 -3.406 459 HB2 CYS 64 1HB CYS 64 -8.226 21.379 -5.479 460 HB3 CYS 64 2HB CYS 64 -7.411 22.461 -4.357 461 H HIS 65 H HIS 65 -8.741 18.813 -2.074 462 HA HIS 65 HA HIS 65 -9.416 16.677 -2.349 463 HD1 HIS 65 HD1 HIS 65 -12.029 19.714 -1.115 464 HD2 HIS 65 HD2 HIS 65 -11.034 15.714 -0.166 465 HE1 HIS 65 HE1 HIS 65 -12.011 19.560 1.456 466 HE2 HIS 65 HE2 HIS 65 -11.470 17.105 2.023 467 HB2 HIS 65 1HB HIS 65 -11.990 18.003 -3.195 468 HB3 HIS 65 2HB HIS 65 -11.811 16.301 -2.762 469 H HIS 66 H HIS 66 -8.051 17.843 -4.625 470 HA HIS 66 HA HIS 66 -8.714 16.267 -6.983 471 HD1 HIS 66 HD1 HIS 66 -5.862 16.057 -9.119 472 HD2 HIS 66 HD2 HIS 66 -4.409 17.377 -5.386 473 HE1 HIS 66 HE1 HIS 66 -3.344 15.961 -9.247 474 HB2 HIS 66 1HB HIS 66 -7.335 17.899 -7.639 475 HB3 HIS 66 2HB HIS 66 -6.697 18.143 -6.025 476 H VAL 67 H VAL 67 -7.757 14.172 -7.488 477 HA VAL 67 HA VAL 67 -6.951 12.571 -5.189 478 HB VAL 67 HB VAL 67 -7.093 11.856 -8.148 479 HG11 VAL 67 1HG1 VAL 67 -7.083 9.510 -7.263 480 HG12 VAL 67 2HG1 VAL 67 -5.543 10.338 -7.031 481 HG13 VAL 67 3HG1 VAL 67 -6.666 10.138 -5.666 482 HG21 VAL 67 3HG2 VAL 67 -9.317 12.367 -7.150 483 HG22 VAL 67 1HG2 VAL 67 -9.145 10.648 -7.508 484 HG23 VAL 67 2HG2 VAL 67 -8.984 11.217 -5.837 485 H ILE 68 H ILE 68 -5.083 12.929 -4.332 486 HA ILE 68 HA ILE 68 -2.719 13.975 -5.551 487 HB ILE 68 HB ILE 68 -3.320 12.550 -2.958 488 HG12 ILE 68 1HG1 ILE 68 -2.504 15.398 -3.700 489 HG13 ILE 68 2HG1 ILE 68 -4.159 14.872 -3.423 490 HG21 ILE 68 1HG2 ILE 68 -0.967 11.942 -3.472 491 HG22 ILE 68 2HG2 ILE 68 -0.598 13.649 -3.781 492 HG23 ILE 68 3HG2 ILE 68 -1.034 13.086 -2.159 493 HD11 ILE 68 3HD1 ILE 68 -1.957 14.856 -1.328 494 HD12 ILE 68 1HD1 ILE 68 -3.250 16.031 -1.500 495 HD13 ILE 68 2HD1 ILE 68 -3.652 14.339 -1.094 496 H ALA 69 H ALA 69 -3.704 10.628 -4.735 497 HA ALA 69 HA ALA 69 -1.973 9.423 -6.755 498 HB1 ALA 69 3HB ALA 69 -1.361 9.273 -3.758 499 HB2 ALA 69 1HB ALA 69 -0.651 8.168 -4.946 500 HB3 ALA 69 2HB ALA 69 -0.311 9.910 -5.030 501 H ARG 70 H ARG 70 -2.031 6.997 -6.598 502 HA ARG 70 HA ARG 70 -4.564 5.890 -5.442 503 HE ARG 70 HE ARG 70 -7.356 7.381 -8.164 504 HB2 ARG 70 1HB ARG 70 -3.219 5.383 -8.124 505 HB3 ARG 70 2HB ARG 70 -4.115 4.117 -7.292 506 HG2 ARG 70 1HG ARG 70 -5.700 4.982 -8.712 507 HG3 ARG 70 2HG ARG 70 -6.079 5.663 -7.131 508 HD2 ARG 70 1HD ARG 70 -4.877 7.782 -7.858 509 HD3 ARG 70 2HD ARG 70 -4.669 7.047 -9.460 510 HH11 ARG 70 1HH1 ARG 70 -5.394 8.138 -10.990 511 HH12 ARG 70 2HH1 ARG 70 -6.755 8.831 -11.830 512 HH21 ARG 70 1HH2 ARG 70 -8.976 8.216 -9.263 513 HH22 ARG 70 2HH2 ARG 70 -8.762 8.873 -10.867 514 H HIS 71 H HIS 71 -4.417 4.067 -4.351 515 HA HIS 71 HA HIS 71 -1.711 2.910 -3.734 516 HD2 HIS 71 HD2 HIS 71 -2.707 0.522 -1.059 517 HE1 HIS 71 HE1 HIS 71 0.299 2.706 1.027 518 HE2 HIS 71 HE2 HIS 71 -0.853 0.444 0.800 519 HB2 HIS 71 1HB HIS 71 -2.950 4.394 -2.015 520 HB3 HIS 71 2HB HIS 71 -4.093 3.080 -1.856 521 H GLU 72 H GLU 72 -1.520 0.729 -3.717 522 HA GLU 72 HA GLU 72 -3.917 -1.009 -3.544 523 HB2 GLU 72 1HB GLU 72 -3.598 -0.940 -5.891 524 HB3 GLU 72 2HB GLU 72 -1.838 -1.022 -5.761 525 HG2 GLU 72 1HG GLU 72 -1.875 -3.287 -5.033 526 HG3 GLU 72 2HG GLU 72 -3.635 -3.283 -4.814 527 H TYR 73 H TYR 73 -3.597 -2.604 -2.150 528 HA TYR 73 HA TYR 73 -0.849 -3.550 -1.503 529 HD1 TYR 73 HD1 TYR 73 0.272 -4.553 0.796 530 HD2 TYR 73 HD2 TYR 73 -3.878 -4.140 1.890 531 HE1 TYR 73 HE1 TYR 73 0.530 -6.385 2.419 532 HE2 TYR 73 HE2 TYR 73 -3.623 -5.988 3.519 533 HH TYR 73 HH TYR 73 -0.500 -7.577 4.155 534 HB2 TYR 73 1HB TYR 73 -1.280 -2.287 0.415 535 HB3 TYR 73 2HB TYR 73 -2.999 -2.623 0.387 536 H THR 74 H THR 74 -0.751 -5.694 -1.844 537 HA THR 74 HA THR 74 -3.299 -7.289 -1.711 538 HB THR 74 HB THR 74 -3.039 -8.336 -3.670 539 HG1 THR 74 HG1 THR 74 -0.288 -7.637 -3.745 540 HG21 THR 74 3HG2 THR 74 -2.666 -6.838 -5.488 541 HG22 THR 74 1HG2 THR 74 -1.535 -5.842 -4.552 542 HG23 THR 74 2HG2 THR 74 -3.255 -5.810 -4.176 543 H PHE 75 H PHE 75 -3.148 -9.131 -0.611 544 HA PHE 75 HA PHE 75 -0.439 -10.077 0.286 545 HD1 PHE 75 HD1 PHE 75 0.468 -10.682 2.836 546 HD2 PHE 75 HD2 PHE 75 -3.744 -11.607 2.785 547 HE1 PHE 75 HE1 PHE 75 0.892 -12.628 4.230 548 HE2 PHE 75 HE2 PHE 75 -3.304 -13.635 4.134 549 HZ PHE 75 HZ PHE 75 -0.966 -14.191 4.817 550 HB2 PHE 75 1HB PHE 75 -1.253 -8.983 2.134 551 HB3 PHE 75 2HB PHE 75 -2.906 -9.468 1.908 552 H SER 76 H SER 76 -0.129 -12.243 -0.117 553 HA SER 76 HA SER 76 -2.450 -14.061 -0.717 554 HG SER 76 HG SER 76 -1.414 -13.888 -4.000 555 HB2 SER 76 1HB SER 76 0.020 -13.451 -2.293 556 HB3 SER 76 2HB SER 76 -0.536 -15.120 -2.284 557 H ILE 77 H ILE 77 -2.318 -16.167 -0.017 558 HA ILE 77 HA ILE 77 0.162 -16.951 1.519 559 HB ILE 77 HB ILE 77 -2.652 -17.991 1.946 560 HG12 ILE 77 1HG1 ILE 77 -0.985 -15.880 3.288 561 HG13 ILE 77 2HG1 ILE 77 -2.673 -15.821 2.746 562 HG21 ILE 77 1HG2 ILE 77 -0.814 -19.673 2.336 563 HG22 ILE 77 2HG2 ILE 77 -0.072 -18.535 3.483 564 HG23 ILE 77 3HG2 ILE 77 -1.671 -19.237 3.811 565 HD11 ILE 77 3HD1 ILE 77 -3.238 -17.423 4.625 566 HD12 ILE 77 1HD1 ILE 77 -1.559 -17.199 5.208 567 HD13 ILE 77 2HD1 ILE 77 -2.664 -15.821 5.135 568 H MET 78 H MET 78 1.409 -18.420 0.631 569 HA MET 78 HA MET 78 0.232 -20.374 -1.277 570 HB2 MET 78 1HB MET 78 2.446 -20.369 -2.460 571 HB3 MET 78 2HB MET 78 1.442 -18.938 -2.682 572 HG2 MET 78 1HG MET 78 2.836 -17.574 -1.378 573 HG3 MET 78 2HG MET 78 3.608 -18.931 -0.571 574 HE1 MET 78 3HE MET 78 3.109 -17.459 -4.214 575 HE2 MET 78 1HE MET 78 4.553 -18.099 -5.033 576 HE3 MET 78 2HE MET 78 3.265 -19.205 -4.525 577 H ASP 79 H ASP 79 0.242 -22.320 -0.571 578 HA ASP 79 HA ASP 79 0.672 -24.261 0.456 579 HB2 ASP 79 1HB ASP 79 2.307 -24.096 -1.430 580 HB3 ASP 79 2HB ASP 79 3.533 -23.582 -0.268 581 H GLU 80 H GLU 80 3.606 -22.534 1.569 582 HA GLU 80 HA GLU 80 2.943 -23.088 4.426 583 HB2 GLU 80 1HB GLU 80 5.764 -23.349 3.372 584 HB3 GLU 80 2HB GLU 80 5.124 -23.833 4.939 585 HG2 GLU 80 1HG GLU 80 3.755 -25.592 3.651 586 HG3 GLU 80 2HG GLU 80 4.748 -25.153 2.244 587 H PHE 81 H PHE 81 3.453 -20.685 2.207 588 HA PHE 81 HA PHE 81 4.900 -18.979 4.239 589 HD1 PHE 81 HD1 PHE 81 7.081 -20.737 3.610 590 HD2 PHE 81 HD2 PHE 81 5.823 -19.638 -0.342 591 HE1 PHE 81 HE1 PHE 81 8.364 -22.652 2.669 592 HE2 PHE 81 HE2 PHE 81 7.031 -21.562 -1.294 593 HZ PHE 81 HZ PHE 81 8.340 -23.079 0.217 594 HB2 PHE 81 1HB PHE 81 5.217 -18.279 1.343 595 HB3 PHE 81 2HB PHE 81 6.319 -18.147 2.652 596 H GLN 82 H GLN 82 4.652 -16.669 3.689 597 HA GLN 82 HA GLN 82 1.960 -15.949 2.585 598 HB2 GLN 82 1HB GLN 82 3.244 -14.230 4.644 599 HB3 GLN 82 2HB GLN 82 1.538 -14.520 4.248 600 HG2 GLN 82 1HG GLN 82 1.738 -16.759 5.340 601 HG3 GLN 82 2HG GLN 82 3.317 -16.186 5.964 602 HE21 GLN 82 1HE2 GLN 82 3.268 -14.137 7.294 603 HE22 GLN 82 2HE2 GLN 82 1.820 -13.827 8.233 604 H GLU 83 H GLU 83 1.872 -14.163 1.326 605 HA GLU 83 HA GLU 83 4.428 -12.853 0.493 606 HB2 GLU 83 1HB GLU 83 2.086 -13.936 -1.113 607 HB3 GLU 83 2HB GLU 83 2.945 -12.525 -1.697 608 HG2 GLU 83 1HG GLU 83 5.059 -13.743 -1.671 609 HG3 GLU 83 2HG GLU 83 4.204 -15.229 -1.186 610 H TYR 84 H TYR 84 4.428 -10.751 0.598 611 HA TYR 84 HA TYR 84 1.870 -9.199 0.942 612 HD1 TYR 84 HD1 TYR 84 4.463 -10.976 3.376 613 HD2 TYR 84 HD2 TYR 84 1.398 -7.960 3.632 614 HE1 TYR 84 HE1 TYR 84 3.507 -12.129 5.378 615 HE2 TYR 84 HE2 TYR 84 0.511 -9.035 5.702 616 HH TYR 84 HH TYR 84 0.738 -10.751 7.199 617 HB2 TYR 84 1HB TYR 84 4.642 -8.776 2.118 618 HB3 TYR 84 2HB TYR 84 3.336 -7.615 2.198 619 H THR 85 H THR 85 1.582 -7.641 -0.631 620 HA THR 85 HA THR 85 3.990 -6.450 -1.871 621 HB THR 85 HB THR 85 3.502 -6.821 -4.039 622 HG1 THR 85 HG1 THR 85 1.477 -7.340 -4.843 623 HG21 THR 85 3HG2 THR 85 2.143 -9.317 -2.904 624 HG22 THR 85 1HG2 THR 85 3.894 -9.108 -3.065 625 HG23 THR 85 2HG2 THR 85 2.882 -9.137 -4.509 626 H MET 86 H MET 86 3.776 -4.356 -2.378 627 HA MET 86 HA MET 86 1.152 -2.954 -2.148 628 HB2 MET 86 1HB MET 86 2.111 -2.765 0.009 629 HB3 MET 86 2HB MET 86 3.704 -2.307 -0.632 630 HG2 MET 86 1HG MET 86 2.629 -0.228 -1.542 631 HG3 MET 86 2HG MET 86 1.114 -0.730 -0.783 632 HE1 MET 86 3HE MET 86 4.929 -0.295 -0.073 633 HE2 MET 86 1HE MET 86 4.378 1.367 -0.343 634 HE3 MET 86 2HE MET 86 4.933 0.870 1.270 635 H LEU 87 H LEU 87 0.950 -1.256 -3.383 636 HA LEU 87 HA LEU 87 3.150 -0.147 -5.054 637 HG LEU 87 HG LEU 87 2.040 0.523 -7.412 638 HB2 LEU 87 1HB LEU 87 2.181 -2.214 -6.221 639 HB3 LEU 87 2HB LEU 87 0.641 -1.383 -6.258 640 HD11 LEU 87 1HD1 LEU 87 3.863 -0.310 -8.791 641 HD12 LEU 87 2HD1 LEU 87 3.616 -1.962 -8.167 642 HD13 LEU 87 3HD1 LEU 87 4.193 -0.686 -7.087 643 HD21 LEU 87 3HD2 LEU 87 1.502 -0.434 -9.623 644 HD22 LEU 87 1HD2 LEU 87 0.169 -0.667 -8.477 645 HD23 LEU 87 2HD2 LEU 87 1.241 -2.028 -8.868 646 H CYS 88 H CYS 88 2.857 1.901 -4.398 647 HA CYS 88 HA CYS 88 0.346 3.323 -5.010 648 HB2 CYS 88 1HB CYS 88 0.262 2.866 -2.601 649 HB3 CYS 88 2HB CYS 88 1.894 3.432 -2.406 650 H LEU 89 H LEU 89 0.716 5.281 -5.904 651 HA LEU 89 HA LEU 89 3.282 6.058 -6.928 652 HG LEU 89 HG LEU 89 2.337 9.235 -6.808 653 HB2 LEU 89 1HB LEU 89 1.270 6.685 -8.086 654 HB3 LEU 89 2HB LEU 89 0.604 7.459 -6.656 655 HD11 LEU 89 1HD1 LEU 89 4.051 7.944 -8.080 656 HD12 LEU 89 2HD1 LEU 89 3.651 9.528 -8.786 657 HD13 LEU 89 3HD1 LEU 89 3.007 8.035 -9.510 658 HD21 LEU 89 3HD2 LEU 89 0.173 9.674 -7.874 659 HD22 LEU 89 1HD2 LEU 89 0.729 8.858 -9.360 660 HD23 LEU 89 2HD2 LEU 89 1.493 10.367 -8.836 661 H LEU 90 H LEU 90 1.599 6.909 -3.940 662 HA LEU 90 HA LEU 90 3.667 8.935 -3.208 663 HG LEU 90 HG LEU 90 2.381 8.680 -0.151 664 HB2 LEU 90 1HB LEU 90 1.375 9.637 -2.889 665 HB3 LEU 90 2HB LEU 90 0.947 8.133 -2.103 666 HD11 LEU 90 1HD1 LEU 90 4.057 10.086 -1.389 667 HD12 LEU 90 2HD1 LEU 90 3.437 10.772 0.099 668 HD13 LEU 90 3HD1 LEU 90 2.833 11.381 -1.452 669 HD21 LEU 90 3HD2 LEU 90 1.051 10.514 0.739 670 HD22 LEU 90 1HD2 LEU 90 0.040 9.351 -0.136 671 HD23 LEU 90 2HD2 LEU 90 0.453 10.906 -0.896 672 H CYS 91 H CYS 91 1.900 6.249 -1.569 673 HA CYS 91 HA CYS 91 3.735 6.138 0.509 674 HB2 CYS 91 1HB CYS 91 1.708 4.105 -0.438 675 HB3 CYS 91 2HB CYS 91 2.488 4.043 1.135 676 H GLY 92 H GLY 92 3.664 4.220 -2.462 677 HA2 GLY 92 1HA GLY 92 6.029 3.838 -3.239 678 HA3 GLY 92 2HA GLY 92 6.341 3.104 -1.690 679 H LYS 93 H LYS 93 7.151 1.777 -3.670 680 HA LYS 93 HA LYS 93 5.245 -0.472 -4.120 681 HB2 LYS 93 1HB LYS 93 5.833 0.428 -6.201 682 HB3 LYS 93 2HB LYS 93 7.488 0.669 -5.733 683 HG2 LYS 93 1HG LYS 93 7.834 -1.856 -5.713 684 HG3 LYS 93 2HG LYS 93 6.153 -2.020 -6.217 685 HD2 LYS 93 1HD LYS 93 7.221 -2.188 -8.240 686 HD3 LYS 93 2HD LYS 93 6.835 -0.479 -8.245 687 HE2 LYS 93 1HE LYS 93 9.533 -1.764 -7.572 688 HE3 LYS 93 2HE LYS 93 9.097 -0.981 -9.088 689 HZ1 LYS 93 3HZ LYS 93 8.785 1.115 -7.697 690 HZ2 LYS 93 1HZ LYS 93 10.316 0.590 -7.877 691 HZ3 LYS 93 2HZ LYS 93 9.566 0.326 -6.473 692 H ALA 94 H ALA 94 5.569 -2.182 -2.943 693 HA ALA 94 HA ALA 94 8.304 -3.023 -2.254 694 HB1 ALA 94 3HB ALA 94 7.658 -3.215 0.166 695 HB2 ALA 94 1HB ALA 94 7.599 -1.534 -0.397 696 HB3 ALA 94 2HB ALA 94 6.101 -2.473 -0.212 697 H GLU 95 H GLU 95 8.511 -5.199 -1.429 698 HA GLU 95 HA GLU 95 6.172 -6.938 -1.417 699 HB2 GLU 95 1HB GLU 95 6.726 -6.949 -3.796 700 HB3 GLU 95 2HB GLU 95 8.421 -7.294 -3.429 701 HG2 GLU 95 1HG GLU 95 7.821 -9.512 -2.560 702 HG3 GLU 95 2HG GLU 95 6.113 -9.174 -2.821 703 H ASP 96 H ASP 96 6.416 -8.647 -0.052 704 HA ASP 96 HA ASP 96 9.073 -9.443 0.925 705 HB2 ASP 96 1HB ASP 96 7.817 -7.630 2.456 706 HB3 ASP 96 2HB ASP 96 6.824 -8.986 2.913 707 H THR 97 H THR 97 9.098 -11.580 1.880 708 HA THR 97 HA THR 97 6.550 -13.066 1.800 709 HB THR 97 HB THR 97 8.991 -14.480 0.789 710 HG1 THR 97 HG1 THR 97 8.383 -14.016 -1.310 711 HG21 THR 97 3HG2 THR 97 6.013 -14.778 0.253 712 HG22 THR 97 1HG2 THR 97 6.926 -15.758 1.405 713 HG23 THR 97 2HG2 THR 97 7.283 -15.882 -0.330 714 H ILE 98 H ILE 98 6.233 -14.396 3.495 715 HA ILE 98 HA ILE 98 8.490 -14.831 5.431 716 HB ILE 98 HB ILE 98 5.592 -14.613 6.236 717 HG12 ILE 98 1HG1 ILE 98 7.536 -12.289 5.971 718 HG13 ILE 98 2HG1 ILE 98 5.982 -12.499 5.142 719 HG21 ILE 98 1HG2 ILE 98 7.262 -15.638 7.786 720 HG22 ILE 98 2HG2 ILE 98 8.180 -14.114 7.756 721 HG23 ILE 98 3HG2 ILE 98 6.540 -14.184 8.445 722 HD11 ILE 98 3HD1 ILE 98 4.842 -12.373 7.399 723 HD12 ILE 98 1HD1 ILE 98 6.415 -11.892 8.084 724 HD13 ILE 98 2HD1 ILE 98 5.642 -10.883 6.856 725 H SER 99 H SER 99 8.861 -16.958 5.954 726 HA SER 99 HA SER 99 6.955 -19.015 5.017 727 HG SER 99 HG SER 99 10.719 -19.726 6.348 728 HB2 SER 99 1HB SER 99 8.632 -20.622 5.858 729 HB3 SER 99 2HB SER 99 9.217 -19.508 4.614 730 H ILE 100 H ILE 100 5.634 -20.252 6.280 731 HA ILE 100 HA ILE 100 5.625 -19.819 9.212 732 HB ILE 100 HB ILE 100 3.149 -19.545 9.194 733 HG12 ILE 100 1HG1 ILE 100 2.114 -18.501 7.169 734 HG13 ILE 100 2HG1 ILE 100 3.473 -19.051 6.201 735 HG21 ILE 100 1HG2 ILE 100 3.212 -17.176 8.791 736 HG22 ILE 100 2HG2 ILE 100 4.748 -17.678 9.509 737 HG23 ILE 100 3HG2 ILE 100 4.655 -17.329 7.770 738 HD11 ILE 100 3HD1 ILE 100 2.826 -21.411 6.678 739 HD12 ILE 100 1HD1 ILE 100 1.527 -20.831 7.745 740 HD13 ILE 100 2HD1 ILE 100 1.474 -20.495 6.002 741 H LEU 101 H LEU 101 3.801 -21.275 10.225 742 HA LEU 101 HA LEU 101 3.817 -24.025 9.097 743 HG LEU 101 HG LEU 101 6.598 -23.196 10.037 744 HB2 LEU 101 1HB LEU 101 4.804 -22.954 11.765 745 HB3 LEU 101 2HB LEU 101 4.403 -24.653 11.576 746 HD11 LEU 101 1HD1 LEU 101 7.100 -23.461 12.430 747 HD12 LEU 101 2HD1 LEU 101 8.121 -24.516 11.442 748 HD13 LEU 101 3HD1 LEU 101 6.739 -25.199 12.327 749 HD21 LEU 101 3HD2 LEU 101 7.309 -25.491 9.383 750 HD22 LEU 101 1HD2 LEU 101 5.723 -25.091 8.724 751 HD23 LEU 101 2HD2 LEU 101 5.847 -26.158 10.143 752 HA PRO 102 HA PRO 102 -0.360 -24.108 10.639 753 HB2 PRO 102 1HB PRO 102 -0.674 -26.640 11.697 754 HB3 PRO 102 2HB PRO 102 -0.603 -26.274 9.947 755 HG2 PRO 102 1HG PRO 102 1.655 -27.194 11.749 756 HG3 PRO 102 2HG PRO 102 1.186 -27.841 10.144 757 HD2 PRO 102 1HD PRO 102 3.208 -26.075 10.387 758 HD3 PRO 102 2HD PRO 102 2.063 -25.942 9.025 759 H ASP 103 H ASP 103 2.262 -24.594 12.849 760 HA ASP 103 HA ASP 103 0.788 -24.423 15.342 761 HB2 ASP 103 1HB ASP 103 3.050 -25.495 14.961 762 HB3 ASP 103 2HB ASP 103 3.724 -23.882 14.736 763 H ASP 104 H ASP 104 1.214 -22.125 12.967 764 HA ASP 104 HA ASP 104 1.180 -19.896 12.768 765 HB2 ASP 104 1HB ASP 104 -1.035 -20.360 13.648 766 HB3 ASP 104 2HB ASP 104 -0.470 -20.089 15.294 767 HA PRO 105 HA PRO 105 4.642 -18.958 15.803 768 HB2 PRO 105 1HB PRO 105 6.759 -18.910 14.077 769 HB3 PRO 105 2HB PRO 105 6.149 -20.420 14.817 770 HG2 PRO 105 1HG PRO 105 5.501 -19.308 12.066 771 HG3 PRO 105 2HG PRO 105 6.026 -20.966 12.493 772 HD2 PRO 105 1HD PRO 105 3.391 -20.334 12.156 773 HD3 PRO 105 2HD PRO 105 3.917 -21.499 13.409 774 H ARG 106 H ARG 106 3.574 -17.755 12.724 775 HA ARG 106 HA ARG 106 3.680 -15.771 11.607 776 HE ARG 106 HE ARG 106 -0.306 -15.667 13.255 777 HB2 ARG 106 1HB ARG 106 1.859 -15.942 13.589 778 HB3 ARG 106 2HB ARG 106 2.658 -14.474 14.123 779 HG2 ARG 106 1HG ARG 106 2.317 -13.552 11.773 780 HG3 ARG 106 2HG ARG 106 1.420 -15.027 11.379 781 HD2 ARG 106 1HD ARG 106 0.690 -13.006 13.540 782 HD3 ARG 106 2HD ARG 106 -0.053 -13.123 11.936 783 HH11 ARG 106 1HH1 ARG 106 -1.694 -12.435 13.345 784 HH12 ARG 106 2HH1 ARG 106 -3.165 -12.995 14.093 785 HH21 ARG 106 1HH2 ARG 106 -2.117 -16.258 14.375 786 HH22 ARG 106 2HH2 ARG 106 -3.417 -15.112 14.620 787 H GLN 107 H GLN 107 6.250 -16.116 12.194 788 HA GLN 107 HA GLN 107 7.653 -14.223 13.654 789 HB2 GLN 107 1HB GLN 107 9.575 -14.732 12.327 790 HB3 GLN 107 2HB GLN 107 8.663 -16.203 12.650 791 HG2 GLN 107 1HG GLN 107 7.731 -16.137 10.336 792 HG3 GLN 107 2HG GLN 107 8.639 -14.661 10.011 793 HE21 GLN 107 1HE2 GLN 107 8.777 -17.645 8.960 794 HE22 GLN 107 2HE2 GLN 107 10.507 -17.925 9.015 Start of MODEL 13 1 HA CYS 2 HA CYS 2 -1.357 14.794 -10.716 2 H1 CYS 2 1H CYS 2 -1.223 15.537 -7.967 3 HB2 CYS 2 1HB CYS 2 -0.228 17.216 -10.787 4 HB3 CYS 2 2HB CYS 2 -1.925 16.947 -10.506 5 H GLY 3 H GLY 3 0.667 13.568 -8.726 6 HA2 GLY 3 1HA GLY 3 2.641 12.394 -8.952 7 HA3 GLY 3 2HA GLY 3 2.826 12.949 -10.608 8 H ASP 4 H ASP 4 2.646 15.828 -9.866 9 HA ASP 4 HA ASP 4 5.371 16.368 -8.956 10 HB2 ASP 4 1HB ASP 4 2.921 18.075 -9.485 11 HB3 ASP 4 2HB ASP 4 4.382 18.752 -8.764 12 H CYS 5 H CYS 5 2.356 15.668 -7.375 13 HA CYS 5 HA CYS 5 2.688 16.882 -4.874 14 HB2 CYS 5 1HB CYS 5 1.376 14.202 -5.556 15 HB3 CYS 5 2HB CYS 5 1.216 15.045 -4.058 16 H VAL 6 H VAL 6 4.299 14.049 -6.254 17 HA VAL 6 HA VAL 6 5.326 13.205 -3.569 18 HB VAL 6 HB VAL 6 5.641 11.040 -4.365 19 HG11 VAL 6 1HG1 VAL 6 3.326 10.343 -4.786 20 HG12 VAL 6 2HG1 VAL 6 3.394 11.610 -3.553 21 HG13 VAL 6 3HG1 VAL 6 2.871 11.991 -5.205 22 HG21 VAL 6 3HG2 VAL 6 4.497 11.766 -7.081 23 HG22 VAL 6 1HG2 VAL 6 6.213 11.405 -6.771 24 HG23 VAL 6 2HG2 VAL 6 4.991 10.167 -6.512 25 H GLU 7 H GLU 7 7.473 13.085 -3.156 26 HA GLU 7 HA GLU 7 9.408 14.469 -4.756 27 HB2 GLU 7 1HB GLU 7 9.538 14.280 -2.305 28 HB3 GLU 7 2HB GLU 7 9.704 12.558 -2.400 29 HG2 GLU 7 1HG GLU 7 11.866 12.897 -3.628 30 HG3 GLU 7 2HG GLU 7 11.674 14.638 -3.389 31 H LYS 8 H LYS 8 8.671 11.012 -4.314 32 HA LYS 8 HA LYS 8 10.200 10.286 -6.782 33 HB2 LYS 8 1HB LYS 8 10.078 8.785 -4.129 34 HB3 LYS 8 2HB LYS 8 10.869 8.194 -5.593 35 HG2 LYS 8 1HG LYS 8 12.515 9.991 -5.506 36 HG3 LYS 8 2HG LYS 8 11.698 10.754 -4.153 37 HD2 LYS 8 1HD LYS 8 13.140 8.100 -4.083 38 HD3 LYS 8 2HD LYS 8 13.679 9.624 -3.395 39 HE2 LYS 8 1HE LYS 8 11.421 7.843 -2.436 40 HE3 LYS 8 2HE LYS 8 12.908 8.267 -1.604 41 HZ1 LYS 8 3HZ LYS 8 10.586 10.060 -2.096 42 HZ2 LYS 8 1HZ LYS 8 12.028 10.626 -1.541 43 HZ3 LYS 8 2HZ LYS 8 11.174 9.558 -0.661 44 H GLU 9 H GLU 9 9.091 8.877 -8.101 45 HA GLU 9 HA GLU 9 6.259 8.261 -7.508 46 HB2 GLU 9 1HB GLU 9 8.123 7.831 -9.876 47 HB3 GLU 9 2HB GLU 9 6.534 7.068 -9.817 48 HG2 GLU 9 1HG GLU 9 5.372 8.960 -10.128 49 HG3 GLU 9 2HG GLU 9 6.537 10.006 -9.313 50 H TYR 10 H TYR 10 5.625 6.424 -6.511 51 HA TYR 10 HA TYR 10 5.748 4.422 -5.418 52 HD1 TYR 10 HD1 TYR 10 5.376 5.367 -9.158 53 HD2 TYR 10 HD2 TYR 10 3.754 2.049 -6.894 54 HE1 TYR 10 HE1 TYR 10 3.188 5.761 -10.177 55 HE2 TYR 10 HE2 TYR 10 1.513 2.500 -7.890 56 HH TYR 10 HH TYR 10 0.981 5.074 -10.325 57 HB2 TYR 10 1HB TYR 10 6.851 3.438 -8.051 58 HB3 TYR 10 2HB TYR 10 6.073 2.489 -6.817 59 HA PRO 11 HA PRO 11 10.320 4.801 -4.430 60 HB2 PRO 11 1HB PRO 11 10.029 5.529 -1.802 61 HB3 PRO 11 2HB PRO 11 9.937 6.712 -3.160 62 HG2 PRO 11 1HG PRO 11 7.611 5.331 -1.793 63 HG3 PRO 11 2HG PRO 11 7.884 7.086 -2.009 64 HD2 PRO 11 1HD PRO 11 6.385 5.771 -3.791 65 HD3 PRO 11 2HD PRO 11 7.617 6.896 -4.397 66 H ASN 12 H ASN 12 11.526 3.072 -3.420 67 HA ASN 12 HA ASN 12 9.880 0.805 -2.519 68 HB2 ASN 12 1HB ASN 12 12.918 1.179 -2.618 69 HB3 ASN 12 2HB ASN 12 12.083 -0.327 -2.242 70 HD21 ASN 12 1HD2 ASN 12 10.161 -0.689 -4.132 71 HD22 ASN 12 2HD2 ASN 12 10.919 -0.663 -5.723 72 H ARG 13 H ARG 13 9.742 -0.019 -0.446 73 HA ARG 13 HA ARG 13 10.625 1.816 1.775 74 HE ARG 13 HE ARG 13 9.139 3.885 3.460 75 HB2 ARG 13 1HB ARG 13 8.112 0.107 1.620 76 HB3 ARG 13 2HB ARG 13 8.563 1.214 2.922 77 HG2 ARG 13 1HG ARG 13 7.911 2.035 0.072 78 HG3 ARG 13 2HG ARG 13 6.843 2.136 1.462 79 HD2 ARG 13 1HD ARG 13 9.491 3.619 1.182 80 HD3 ARG 13 2HD ARG 13 7.925 4.324 0.862 81 HH11 ARG 13 1HH1 ARG 13 6.013 4.296 1.924 82 HH12 ARG 13 2HH1 ARG 13 5.211 4.587 3.447 83 HH21 ARG 13 1HH2 ARG 13 8.058 4.303 5.349 84 HH22 ARG 13 2HH2 ARG 13 6.351 4.623 5.323 85 H GLY 14 H GLY 14 12.149 -0.354 0.755 86 HA2 GLY 14 1HA GLY 14 13.462 -2.067 1.428 87 HA3 GLY 14 2HA GLY 14 13.218 -1.492 3.088 88 H ASN 15 H ASN 15 10.477 -2.482 1.460 89 HA ASN 15 HA ASN 15 9.517 -4.572 1.007 90 HB2 ASN 15 1HB ASN 15 9.699 -6.501 2.308 91 HB3 ASN 15 2HB ASN 15 11.319 -5.904 2.216 92 HD21 ASN 15 1HD2 ASN 15 10.555 -7.779 4.177 93 HD22 ASN 15 2HD2 ASN 15 10.578 -6.968 5.742 94 H THR 16 H THR 16 8.993 -2.162 3.199 95 HA THR 16 HA THR 16 6.866 -3.138 4.840 96 HB THR 16 HB THR 16 7.429 -0.313 3.880 97 HG1 THR 16 HG1 THR 16 9.176 -0.954 4.960 98 HG21 THR 16 3HG2 THR 16 5.262 -0.267 4.841 99 HG22 THR 16 1HG2 THR 16 6.377 0.353 6.057 100 HG23 THR 16 2HG2 THR 16 5.765 -1.311 6.205 101 H CYS 17 H CYS 17 4.827 -3.873 4.218 102 HA CYS 17 HA CYS 17 3.478 -2.541 1.920 103 HG CYS 17 HG CYS 17 5.735 -4.973 1.862 104 HB2 CYS 17 1HB CYS 17 3.335 -5.442 2.810 105 HB3 CYS 17 2HB CYS 17 2.443 -4.722 1.462 106 H LEU 18 H LEU 18 1.969 -1.230 2.777 107 HA LEU 18 HA LEU 18 0.322 -2.073 5.144 108 HG LEU 18 HG LEU 18 0.946 -0.397 7.139 109 HB2 LEU 18 1HB LEU 18 1.641 0.503 4.326 110 HB3 LEU 18 2HB LEU 18 0.119 0.591 5.175 111 HD11 LEU 18 1HD1 LEU 18 2.318 -2.204 6.490 112 HD12 LEU 18 2HD1 LEU 18 3.394 -1.092 7.337 113 HD13 LEU 18 3HD1 LEU 18 3.400 -1.152 5.554 114 HD21 LEU 18 3HD2 LEU 18 1.556 1.972 6.721 115 HD22 LEU 18 1HD2 LEU 18 3.115 1.442 6.046 116 HD23 LEU 18 2HD2 LEU 18 2.733 1.150 7.759 117 H GLU 19 H GLU 19 -1.751 -1.694 5.250 118 HA GLU 19 HA GLU 19 -3.274 -1.211 2.751 119 HB2 GLU 19 1HB GLU 19 -5.129 -2.170 3.898 120 HB3 GLU 19 2HB GLU 19 -3.779 -3.245 4.115 121 HG2 GLU 19 1HG GLU 19 -4.683 -1.242 6.225 122 HG3 GLU 19 2HG GLU 19 -5.317 -2.874 6.079 123 H ASN 20 H ASN 20 -2.181 0.645 5.348 124 HA ASN 20 HA ASN 20 -4.185 2.753 4.813 125 HB2 ASN 20 1HB ASN 20 -3.818 1.355 7.480 126 HB3 ASN 20 2HB ASN 20 -4.250 3.056 7.450 127 HD21 ASN 20 1HD2 ASN 20 -5.724 0.305 8.025 128 HD22 ASN 20 2HD2 ASN 20 -7.274 0.635 7.272 129 H GLY 21 H GLY 21 -3.559 4.840 5.407 130 HA2 GLY 21 1HA GLY 21 -2.009 6.281 6.706 131 HA3 GLY 21 2HA GLY 21 -0.680 5.277 6.138 132 H SER 22 H SER 22 -0.055 7.594 5.676 133 HA SER 22 HA SER 22 -0.179 8.102 2.784 134 HG SER 22 HG SER 22 -2.707 8.920 3.914 135 HB2 SER 22 1HB SER 22 -1.015 10.220 4.821 136 HB3 SER 22 2HB SER 22 -0.507 10.563 3.165 137 H PHE 23 H PHE 23 1.947 8.163 2.292 138 HA PHE 23 HA PHE 23 3.931 8.521 4.319 139 HD1 PHE 23 HD1 PHE 23 5.974 8.115 4.680 140 HD2 PHE 23 HD2 PHE 23 6.269 7.201 0.474 141 HE1 PHE 23 HE1 PHE 23 8.394 7.705 4.926 142 HE2 PHE 23 HE2 PHE 23 8.702 6.825 0.726 143 HZ PHE 23 HZ PHE 23 9.788 7.166 2.956 144 HB2 PHE 23 1HB PHE 23 3.980 6.921 2.449 145 HB3 PHE 23 2HB PHE 23 4.258 8.227 1.322 146 H LEU 24 H LEU 24 3.459 10.640 5.062 147 HA LEU 24 HA LEU 24 3.684 12.998 3.670 148 HG LEU 24 HG LEU 24 2.383 11.676 6.470 149 HB2 LEU 24 1HB LEU 24 4.634 12.564 6.526 150 HB3 LEU 24 2HB LEU 24 4.120 14.083 5.807 151 HD11 LEU 24 1HD1 LEU 24 3.007 13.146 8.350 152 HD12 LEU 24 2HD1 LEU 24 1.275 13.234 7.993 153 HD13 LEU 24 3HD1 LEU 24 2.355 14.548 7.474 154 HD21 LEU 24 3HD2 LEU 24 1.556 14.257 5.074 155 HD22 LEU 24 1HD2 LEU 24 0.445 13.027 5.722 156 HD23 LEU 24 2HD2 LEU 24 1.508 12.619 4.380 157 H LEU 25 H LEU 25 6.402 11.043 4.707 158 HA LEU 25 HA LEU 25 8.467 13.036 4.299 159 HG LEU 25 HG LEU 25 8.194 11.420 6.668 160 HB2 LEU 25 1HB LEU 25 8.396 10.033 4.576 161 HB3 LEU 25 2HB LEU 25 9.907 10.825 4.205 162 HD11 LEU 25 1HD1 LEU 25 9.933 10.180 7.907 163 HD12 LEU 25 2HD1 LEU 25 10.744 9.773 6.376 164 HD13 LEU 25 3HD1 LEU 25 9.118 9.143 6.729 165 HD21 LEU 25 3HD2 LEU 25 9.624 13.344 6.100 166 HD22 LEU 25 1HD2 LEU 25 11.035 12.273 5.938 167 HD23 LEU 25 2HD2 LEU 25 10.263 12.519 7.520 168 H ASN 26 H ASN 26 6.610 11.222 2.026 169 HA ASN 26 HA ASN 26 8.576 11.822 -0.178 170 HB2 ASN 26 1HB ASN 26 7.831 9.450 0.203 171 HB3 ASN 26 2HB ASN 26 6.197 9.925 -0.218 172 HD21 ASN 26 1HD2 ASN 26 5.934 8.936 -2.254 173 HD22 ASN 26 2HD2 ASN 26 7.026 9.227 -3.607 174 H PHE 27 H PHE 27 5.275 12.363 1.063 175 HA PHE 27 HA PHE 27 4.328 13.817 -1.256 176 HD1 PHE 27 HD1 PHE 27 2.109 14.370 -1.898 177 HD2 PHE 27 HD2 PHE 27 2.050 15.786 2.164 178 HE1 PHE 27 HE1 PHE 27 0.307 16.023 -2.508 179 HE2 PHE 27 HE2 PHE 27 0.265 17.412 1.555 180 HZ PHE 27 HZ PHE 27 -0.623 17.493 -0.753 181 HB2 PHE 27 1HB PHE 27 2.789 12.912 0.422 182 HB3 PHE 27 2HB PHE 27 3.442 13.988 1.638 183 H THR 28 H THR 28 5.257 15.591 -2.008 184 HA THR 28 HA THR 28 6.674 17.502 -0.193 185 HB THR 28 HB THR 28 7.428 18.514 -2.433 186 HG1 THR 28 HG1 THR 28 6.033 17.539 -3.870 187 HG21 THR 28 3HG2 THR 28 9.095 16.663 -2.750 188 HG22 THR 28 1HG2 THR 28 8.153 15.693 -1.591 189 HG23 THR 28 2HG2 THR 28 8.919 17.205 -1.070 190 H GLY 29 H GLY 29 3.599 17.153 -0.916 191 HA2 GLY 29 1HA GLY 29 1.892 18.709 -0.471 192 HA3 GLY 29 2HA GLY 29 2.942 20.055 -0.846 193 H CYS 30 H CYS 30 0.302 19.474 -1.889 194 HA CYS 30 HA CYS 30 0.144 18.296 -4.382 195 HB2 CYS 30 1HB CYS 30 -1.676 19.227 -2.763 196 HB3 CYS 30 2HB CYS 30 -1.424 20.759 -3.552 197 H ALA 31 H ALA 31 -0.519 19.353 -6.329 198 HA ALA 31 HA ALA 31 0.968 21.845 -6.975 199 HB1 ALA 31 3HB ALA 31 0.919 19.760 -9.103 200 HB2 ALA 31 1HB ALA 31 2.012 21.118 -8.874 201 HB3 ALA 31 2HB ALA 31 2.163 19.684 -7.815 202 H VAL 32 H VAL 32 -2.037 20.173 -7.092 203 HA VAL 32 HA VAL 32 -3.117 21.790 -9.270 204 HB VAL 32 HB VAL 32 -4.407 20.019 -7.161 205 HG11 VAL 32 1HG1 VAL 32 -6.606 20.377 -8.201 206 HG12 VAL 32 2HG1 VAL 32 -6.017 21.855 -7.450 207 HG13 VAL 32 3HG1 VAL 32 -5.928 21.679 -9.218 208 HG21 VAL 32 3HG2 VAL 32 -5.203 18.753 -9.112 209 HG22 VAL 32 1HG2 VAL 32 -4.447 19.931 -10.214 210 HG23 VAL 32 2HG2 VAL 32 -3.447 18.916 -9.157 211 H CYS 33 H CYS 33 -2.846 22.009 -5.747 212 HA CYS 33 HA CYS 33 -3.733 24.859 -5.826 213 HB2 CYS 33 1HB CYS 33 -4.764 24.517 -3.710 214 HB3 CYS 33 2HB CYS 33 -5.413 23.330 -4.853 215 H SER 34 H SER 34 -1.244 22.696 -4.767 216 HA SER 34 HA SER 34 0.841 23.103 -3.966 217 HG SER 34 HG SER 34 2.505 26.075 -4.160 218 HB2 SER 34 1HB SER 34 0.483 25.431 -5.023 219 HB3 SER 34 2HB SER 34 0.354 25.986 -3.345 220 H LYS 35 H LYS 35 -1.608 22.522 -2.104 221 HA LYS 35 HA LYS 35 -0.634 23.504 0.529 222 HB2 LYS 35 1HB LYS 35 -2.915 21.731 -0.388 223 HB3 LYS 35 2HB LYS 35 -2.492 21.885 1.306 224 HG2 LYS 35 1HG LYS 35 -2.651 24.552 0.113 225 HG3 LYS 35 2HG LYS 35 -4.123 23.638 -0.220 226 HD2 LYS 35 1HD LYS 35 -4.485 23.182 2.110 227 HD3 LYS 35 2HD LYS 35 -2.905 23.896 2.542 228 HE2 LYS 35 1HE LYS 35 -3.700 26.090 1.604 229 HE3 LYS 35 2HE LYS 35 -5.281 25.363 1.286 230 HZ1 LYS 35 3HZ LYS 35 -5.262 26.567 3.396 231 HZ2 LYS 35 1HZ LYS 35 -4.039 25.654 3.975 232 HZ3 LYS 35 2HZ LYS 35 -5.502 24.979 3.689 233 H ARG 36 H ARG 36 0.156 22.240 2.212 234 HA ARG 36 HA ARG 36 1.048 19.455 1.613 235 HE ARG 36 HE ARG 36 5.278 17.469 1.968 236 HB2 ARG 36 1HB ARG 36 2.935 21.072 1.424 237 HB3 ARG 36 2HB ARG 36 2.763 21.405 3.157 238 HG2 ARG 36 1HG ARG 36 3.361 19.162 3.750 239 HG3 ARG 36 2HG ARG 36 3.028 18.555 2.114 240 HD2 ARG 36 1HD ARG 36 4.935 19.834 1.259 241 HD3 ARG 36 2HD ARG 36 5.332 20.351 2.904 242 HH11 ARG 36 1HH1 ARG 36 6.867 19.843 4.015 243 HH12 ARG 36 2HH1 ARG 36 7.935 18.639 4.681 244 HH21 ARG 36 1HH2 ARG 36 6.557 16.032 2.882 245 HH22 ARG 36 2HH2 ARG 36 7.770 16.520 4.038 246 H ASP 37 H ASP 37 1.383 18.156 3.618 247 HA ASP 37 HA ASP 37 0.383 17.084 5.303 248 HB2 ASP 37 1HB ASP 37 0.361 18.064 7.439 249 HB3 ASP 37 2HB ASP 37 1.823 18.474 6.566 250 H PHE 38 H PHE 38 -1.313 18.085 3.362 251 HA PHE 38 HA PHE 38 -4.003 18.107 4.641 252 HD1 PHE 38 HD1 PHE 38 -2.499 20.529 5.296 253 HD2 PHE 38 HD2 PHE 38 -6.002 20.891 2.816 254 HE1 PHE 38 HE1 PHE 38 -3.293 22.416 6.683 255 HE2 PHE 38 HE2 PHE 38 -6.789 22.790 4.186 256 HZ PHE 38 HZ PHE 38 -5.444 23.549 6.153 257 HB2 PHE 38 1HB PHE 38 -2.846 19.791 2.465 258 HB3 PHE 38 2HB PHE 38 -4.495 19.260 2.287 259 H MET 39 H MET 39 -4.503 16.003 4.495 260 HA MET 39 HA MET 39 -5.349 15.061 1.922 261 HB2 MET 39 1HB MET 39 -4.127 12.829 2.020 262 HB3 MET 39 2HB MET 39 -3.265 14.208 1.424 263 HG2 MET 39 1HG MET 39 -2.882 13.954 4.323 264 HG3 MET 39 2HG MET 39 -2.549 12.427 3.528 265 HE1 MET 39 3HE MET 39 0.448 13.124 1.234 266 HE2 MET 39 1HE MET 39 -0.922 12.068 1.626 267 HE3 MET 39 2HE MET 39 -1.169 13.504 0.609 268 H LEU 40 H LEU 40 -6.630 13.404 1.845 269 HA LEU 40 HA LEU 40 -7.843 12.111 4.249 270 HG LEU 40 HG LEU 40 -10.423 14.709 3.310 271 HB2 LEU 40 1HB LEU 40 -9.009 13.641 1.902 272 HB3 LEU 40 2HB LEU 40 -9.895 12.292 2.506 273 HD11 LEU 40 1HD1 LEU 40 -11.606 12.647 4.033 274 HD12 LEU 40 2HD1 LEU 40 -11.376 13.749 5.395 275 HD13 LEU 40 3HD1 LEU 40 -10.326 12.324 5.226 276 HD21 LEU 40 3HD2 LEU 40 -9.545 15.269 5.484 277 HD22 LEU 40 1HD2 LEU 40 -8.259 15.244 4.257 278 HD23 LEU 40 2HD2 LEU 40 -8.417 13.910 5.425 279 H ILE 41 H ILE 41 -9.058 10.138 3.581 280 HA ILE 41 HA ILE 41 -8.061 8.765 1.132 281 HB ILE 41 HB ILE 41 -8.309 7.683 3.954 282 HG12 ILE 41 1HG1 ILE 41 -5.928 7.630 2.037 283 HG13 ILE 41 2HG1 ILE 41 -6.153 8.830 3.308 284 HG21 ILE 41 1HG2 ILE 41 -8.020 6.158 1.315 285 HG22 ILE 41 2HG2 ILE 41 -7.702 5.424 2.898 286 HG23 ILE 41 3HG2 ILE 41 -9.314 5.994 2.513 287 HD11 ILE 41 3HD1 ILE 41 -5.672 5.862 3.717 288 HD12 ILE 41 1HD1 ILE 41 -4.648 7.228 4.181 289 HD13 ILE 41 2HD1 ILE 41 -6.188 6.970 5.013 290 H THR 42 H THR 42 -9.668 7.869 -0.023 291 HA THR 42 HA THR 42 -12.278 7.272 1.174 292 HB THR 42 HB THR 42 -12.176 9.775 0.356 293 HG1 THR 42 HG1 THR 42 -14.377 9.571 -0.015 294 HG21 THR 42 3HG2 THR 42 -11.528 8.886 -2.077 295 HG22 THR 42 1HG2 THR 42 -12.624 10.269 -1.845 296 HG23 THR 42 2HG2 THR 42 -13.274 8.667 -2.215 297 H ASN 43 H ASN 43 -13.809 6.545 -0.698 298 HA ASN 43 HA ASN 43 -14.301 4.923 -2.236 299 HB2 ASN 43 1HB ASN 43 -13.674 6.774 -3.603 300 HB3 ASN 43 2HB ASN 43 -11.968 6.438 -3.458 301 HD21 ASN 43 1HD2 ASN 43 -11.106 5.645 -5.267 302 HD22 ASN 43 2HD2 ASN 43 -11.984 4.675 -6.454 303 H LYS 44 H LYS 44 -12.334 4.229 -0.078 304 HA LYS 44 HA LYS 44 -10.515 2.228 -0.855 305 HB2 LYS 44 1HB LYS 44 -10.750 3.481 1.370 306 HB3 LYS 44 2HB LYS 44 -12.071 2.362 1.748 307 HG2 LYS 44 1HG LYS 44 -10.475 0.429 1.456 308 HG3 LYS 44 2HG LYS 44 -9.181 1.593 1.211 309 HD2 LYS 44 1HD LYS 44 -9.866 2.573 3.537 310 HD3 LYS 44 2HD LYS 44 -10.788 1.071 3.715 311 HE2 LYS 44 1HE LYS 44 -8.732 0.528 4.703 312 HE3 LYS 44 2HE LYS 44 -8.589 -0.148 3.077 313 HZ1 LYS 44 3HZ LYS 44 -6.594 1.064 3.550 314 HZ2 LYS 44 1HZ LYS 44 -7.373 2.344 4.132 315 HZ3 LYS 44 2HZ LYS 44 -7.405 2.032 2.509 316 H SER 45 H SER 45 -10.852 0.431 -1.839 317 HA SER 45 HA SER 45 -13.264 -1.243 -1.296 318 HG SER 45 HG SER 45 -13.441 -0.595 -4.740 319 HB2 SER 45 1HB SER 45 -11.426 -1.025 -3.718 320 HB3 SER 45 2HB SER 45 -12.579 -2.350 -3.494 321 H LEU 46 H LEU 46 -13.020 -3.481 -1.188 322 HA LEU 46 HA LEU 46 -10.351 -4.575 -0.610 323 HG LEU 46 HG LEU 46 -10.446 -6.575 1.060 324 HB2 LEU 46 1HB LEU 46 -11.043 -3.953 1.552 325 HB3 LEU 46 2HB LEU 46 -12.676 -4.549 1.330 326 HD11 LEU 46 1HD1 LEU 46 -11.332 -5.495 3.769 327 HD12 LEU 46 2HD1 LEU 46 -9.733 -5.254 3.032 328 HD13 LEU 46 3HD1 LEU 46 -10.251 -6.883 3.479 329 HD21 LEU 46 3HD2 LEU 46 -12.001 -8.023 2.297 330 HD22 LEU 46 1HD2 LEU 46 -12.788 -7.340 0.878 331 HD23 LEU 46 2HD2 LEU 46 -13.137 -6.671 2.484 332 H LYS 47 H LYS 47 -10.098 -6.623 -1.248 333 HA LYS 47 HA LYS 47 -12.391 -8.179 -2.310 334 HB2 LYS 47 1HB LYS 47 -10.568 -6.810 -3.913 335 HB3 LYS 47 2HB LYS 47 -9.833 -8.391 -3.791 336 HG2 LYS 47 1HG LYS 47 -11.762 -9.501 -4.664 337 HG3 LYS 47 2HG LYS 47 -12.713 -7.996 -4.626 338 HD2 LYS 47 1HD LYS 47 -11.171 -6.977 -6.270 339 HD3 LYS 47 2HD LYS 47 -10.247 -8.480 -6.371 340 HE2 LYS 47 1HE LYS 47 -13.241 -8.337 -6.945 341 HE3 LYS 47 2HE LYS 47 -12.040 -7.970 -8.183 342 HZ1 LYS 47 3HZ LYS 47 -12.198 -10.590 -6.759 343 HZ2 LYS 47 1HZ LYS 47 -11.147 -10.195 -7.949 344 HZ3 LYS 47 2HZ LYS 47 -12.741 -10.295 -8.268 345 H GLU 48 H GLU 48 -12.145 -10.416 -2.262 346 HA GLU 48 HA GLU 48 -9.664 -11.485 -0.989 347 HB2 GLU 48 1HB GLU 48 -12.455 -12.057 0.061 348 HB3 GLU 48 2HB GLU 48 -10.969 -12.849 0.591 349 HG2 GLU 48 1HG GLU 48 -10.118 -10.665 1.426 350 HG3 GLU 48 2HG GLU 48 -11.636 -9.906 0.950 351 H GLU 49 H GLU 49 -8.940 -13.016 -2.313 352 HA GLU 49 HA GLU 49 -10.854 -14.912 -3.611 353 HB2 GLU 49 1HB GLU 49 -8.201 -14.031 -4.775 354 HB3 GLU 49 2HB GLU 49 -9.356 -15.161 -5.470 355 HG2 GLU 49 1HG GLU 49 -9.712 -12.154 -5.058 356 HG3 GLU 49 2HG GLU 49 -9.436 -12.976 -6.582 357 H ASP 50 H ASP 50 -10.665 -16.907 -2.887 358 HA ASP 50 HA ASP 50 -9.857 -18.782 -1.846 359 HB2 ASP 50 1HB ASP 50 -9.178 -18.645 -4.328 360 HB3 ASP 50 2HB ASP 50 -7.554 -18.265 -3.768 361 H GLY 51 H GLY 51 -8.717 -16.375 -0.446 362 HA2 GLY 51 1HA GLY 51 -7.612 -16.755 1.784 363 HA3 GLY 51 2HA GLY 51 -6.325 -17.615 0.931 364 H GLU 52 H GLU 52 -6.646 -15.476 -1.306 365 HA GLU 52 HA GLU 52 -4.632 -13.604 -0.329 366 HB2 GLU 52 1HB GLU 52 -4.544 -14.421 -2.654 367 HB3 GLU 52 2HB GLU 52 -6.188 -13.816 -2.936 368 HG2 GLU 52 1HG GLU 52 -5.369 -11.471 -2.604 369 HG3 GLU 52 2HG GLU 52 -3.747 -12.090 -2.456 370 H GLU 53 H GLU 53 -4.959 -11.518 0.263 371 HA GLU 53 HA GLU 53 -7.739 -10.408 0.297 372 HB2 GLU 53 1HB GLU 53 -5.512 -10.001 2.340 373 HB3 GLU 53 2HB GLU 53 -7.062 -9.147 2.309 374 HG2 GLU 53 1HG GLU 53 -8.242 -11.337 2.594 375 HG3 GLU 53 2HG GLU 53 -6.680 -12.147 2.706 376 H ILE 54 H ILE 54 -7.974 -8.501 -0.801 377 HA ILE 54 HA ILE 54 -5.492 -7.016 -1.533 378 HB ILE 54 HB ILE 54 -7.971 -7.297 -3.274 379 HG12 ILE 54 1HG1 ILE 54 -6.017 -8.499 -4.744 380 HG13 ILE 54 2HG1 ILE 54 -5.427 -8.943 -3.152 381 HG21 ILE 54 1HG2 ILE 54 -6.399 -6.300 -4.962 382 HG22 ILE 54 2HG2 ILE 54 -6.831 -5.245 -3.622 383 HG23 ILE 54 3HG2 ILE 54 -5.248 -6.061 -3.618 384 HD11 ILE 54 3HD1 ILE 54 -8.159 -9.583 -4.366 385 HD12 ILE 54 1HD1 ILE 54 -6.842 -10.708 -4.126 386 HD13 ILE 54 2HD1 ILE 54 -7.678 -10.044 -2.712 387 H VAL 55 H VAL 55 -5.547 -4.838 -1.299 388 HA VAL 55 HA VAL 55 -8.108 -3.495 -0.524 389 HB VAL 55 HB VAL 55 -5.390 -3.043 0.783 390 HG11 VAL 55 1HG1 VAL 55 -8.132 -1.882 1.402 391 HG12 VAL 55 2HG1 VAL 55 -6.635 -1.625 2.343 392 HG13 VAL 55 3HG1 VAL 55 -6.743 -1.017 0.689 393 HG21 VAL 55 3HG2 VAL 55 -6.490 -3.954 2.852 394 HG22 VAL 55 1HG2 VAL 55 -7.865 -4.465 1.838 395 HG23 VAL 55 2HG2 VAL 55 -6.247 -5.165 1.590 396 H THR 56 H THR 56 -8.495 -1.963 -1.992 397 HA THR 56 HA THR 56 -6.187 -0.426 -3.107 398 HB THR 56 HB THR 56 -7.206 -0.255 -5.243 399 HG1 THR 56 HG1 THR 56 -9.037 -1.494 -5.747 400 HG21 THR 56 3HG2 THR 56 -6.811 -2.495 -6.037 401 HG22 THR 56 1HG2 THR 56 -7.220 -3.212 -4.468 402 HG23 THR 56 2HG2 THR 56 -5.736 -2.261 -4.649 403 H TYR 57 H TYR 57 -6.297 1.767 -3.066 404 HA TYR 57 HA TYR 57 -8.873 3.146 -2.675 405 HD1 TYR 57 HD1 TYR 57 -6.342 1.164 0.038 406 HD2 TYR 57 HD2 TYR 57 -6.386 5.472 -0.079 407 HE1 TYR 57 HE1 TYR 57 -4.311 1.241 1.488 408 HE2 TYR 57 HE2 TYR 57 -4.373 5.543 1.361 409 HH TYR 57 HH TYR 57 -2.846 4.335 2.537 410 HB2 TYR 57 1HB TYR 57 -8.434 4.148 -0.604 411 HB3 TYR 57 2HB TYR 57 -8.400 2.427 -0.467 412 H ASP 58 H ASP 58 -8.088 5.616 -1.881 413 HA ASP 58 HA ASP 58 -5.942 6.533 -3.742 414 HB2 ASP 58 1HB ASP 58 -8.723 7.756 -3.397 415 HB3 ASP 58 2HB ASP 58 -7.458 8.358 -4.448 416 H HIS 59 H HIS 59 -5.210 8.661 -3.195 417 HA HIS 59 HA HIS 59 -5.808 9.646 -0.422 418 HD1 HIS 59 HD1 HIS 59 -2.852 9.012 1.420 419 HD2 HIS 59 HD2 HIS 59 -2.642 7.666 -2.567 420 HE1 HIS 59 HE1 HIS 59 -1.416 6.926 1.425 421 HB2 HIS 59 1HB HIS 59 -3.370 10.265 -2.122 422 HB3 HIS 59 2HB HIS 59 -3.658 10.740 -0.460 423 H LEU 60 H LEU 60 -6.521 11.770 -0.285 424 HA LEU 60 HA LEU 60 -6.951 13.296 -2.819 425 HG LEU 60 HG LEU 60 -8.937 12.205 -3.675 426 HB2 LEU 60 1HB LEU 60 -9.006 12.645 -0.660 427 HB3 LEU 60 2HB LEU 60 -9.158 13.976 -1.792 428 HD11 LEU 60 1HD1 LEU 60 -9.909 9.983 -3.102 429 HD12 LEU 60 2HD1 LEU 60 -9.911 10.440 -1.369 430 HD13 LEU 60 3HD1 LEU 60 -8.394 10.204 -2.248 431 HD21 LEU 60 3HD2 LEU 60 -11.371 11.852 -3.598 432 HD22 LEU 60 1HD2 LEU 60 -10.958 13.509 -3.143 433 HD23 LEU 60 2HD2 LEU 60 -11.396 12.344 -1.883 434 H CYS 61 H CYS 61 -6.438 15.386 -2.681 435 HA CYS 61 HA CYS 61 -5.120 16.540 -0.462 436 HB2 CYS 61 1HB CYS 61 -5.072 17.065 -2.978 437 HB3 CYS 61 2HB CYS 61 -6.576 17.946 -2.744 438 H LYS 62 H LYS 62 -5.874 17.368 1.423 439 HA LYS 62 HA LYS 62 -8.700 17.467 2.041 440 HB2 LYS 62 1HB LYS 62 -7.156 17.057 3.809 441 HB3 LYS 62 2HB LYS 62 -6.197 18.460 3.425 442 HG2 LYS 62 1HG LYS 62 -7.297 18.851 5.482 443 HG3 LYS 62 2HG LYS 62 -7.931 19.968 4.284 444 HD2 LYS 62 1HD LYS 62 -9.888 18.324 3.984 445 HD3 LYS 62 2HD LYS 62 -9.272 17.476 5.403 446 HE2 LYS 62 1HE LYS 62 -10.085 20.415 5.319 447 HE3 LYS 62 2HE LYS 62 -11.126 19.105 5.878 448 HZ1 LYS 62 3HZ LYS 62 -9.498 18.643 7.638 449 HZ2 LYS 62 1HZ LYS 62 -10.038 20.176 7.744 450 HZ3 LYS 62 2HZ LYS 62 -8.552 19.885 7.144 451 H ASN 63 H ASN 63 -6.812 19.660 0.217 452 HA ASN 63 HA ASN 63 -8.468 22.027 0.889 453 HB2 ASN 63 1HB ASN 63 -6.100 22.373 0.865 454 HB3 ASN 63 2HB ASN 63 -5.939 21.703 -0.753 455 HD21 ASN 63 1HD2 ASN 63 -5.709 23.280 -2.288 456 HD22 ASN 63 2HD2 ASN 63 -6.517 24.850 -2.196 457 H CYS 64 H CYS 64 -7.231 20.608 -2.235 458 HA CYS 64 HA CYS 64 -9.663 21.567 -3.557 459 HB2 CYS 64 1HB CYS 64 -8.393 21.084 -5.619 460 HB3 CYS 64 2HB CYS 64 -7.615 22.240 -4.544 461 H HIS 65 H HIS 65 -8.847 18.641 -2.123 462 HA HIS 65 HA HIS 65 -9.449 16.474 -2.337 463 HD1 HIS 65 HD1 HIS 65 -12.216 19.372 -1.063 464 HD2 HIS 65 HD2 HIS 65 -10.914 15.452 -0.140 465 HE1 HIS 65 HE1 HIS 65 -12.136 19.217 1.507 466 HE2 HIS 65 HE2 HIS 65 -11.410 16.808 2.057 467 HB2 HIS 65 1HB HIS 65 -12.080 17.691 -3.150 468 HB3 HIS 65 2HB HIS 65 -11.834 15.999 -2.722 469 H HIS 66 H HIS 66 -8.149 17.622 -4.648 470 HA HIS 66 HA HIS 66 -8.779 15.973 -6.965 471 HD1 HIS 66 HD1 HIS 66 -5.937 15.807 -9.112 472 HD2 HIS 66 HD2 HIS 66 -4.503 17.254 -5.419 473 HE1 HIS 66 HE1 HIS 66 -3.420 15.764 -9.248 474 HB2 HIS 66 1HB HIS 66 -7.456 17.636 -7.667 475 HB3 HIS 66 2HB HIS 66 -6.817 17.935 -6.062 476 H VAL 67 H VAL 67 -7.769 13.898 -7.425 477 HA VAL 67 HA VAL 67 -6.879 12.386 -5.095 478 HB VAL 67 HB VAL 67 -7.067 11.596 -8.029 479 HG11 VAL 67 1HG1 VAL 67 -5.390 10.179 -7.042 480 HG12 VAL 67 2HG1 VAL 67 -6.318 10.020 -5.535 481 HG13 VAL 67 3HG1 VAL 67 -6.897 9.260 -7.017 482 HG21 VAL 67 3HG2 VAL 67 -8.787 10.854 -5.617 483 HG22 VAL 67 1HG2 VAL 67 -9.264 11.993 -6.896 484 HG23 VAL 67 2HG2 VAL 67 -9.010 10.288 -7.283 485 H ILE 68 H ILE 68 -5.031 12.820 -4.261 486 HA ILE 68 HA ILE 68 -2.702 13.920 -5.513 487 HB ILE 68 HB ILE 68 -3.300 12.547 -2.893 488 HG12 ILE 68 1HG1 ILE 68 -2.454 15.371 -3.683 489 HG13 ILE 68 2HG1 ILE 68 -4.118 14.864 -3.427 490 HG21 ILE 68 1HG2 ILE 68 -0.564 13.600 -3.711 491 HG22 ILE 68 2HG2 ILE 68 -1.025 13.079 -2.080 492 HG23 ILE 68 3HG2 ILE 68 -0.956 11.903 -3.369 493 HD11 ILE 68 3HD1 ILE 68 -3.245 16.050 -1.508 494 HD12 ILE 68 1HD1 ILE 68 -3.644 14.365 -1.075 495 HD13 ILE 68 2HD1 ILE 68 -1.948 14.883 -1.298 496 H ALA 69 H ALA 69 -3.628 10.580 -4.666 497 HA ALA 69 HA ALA 69 -1.924 9.372 -6.699 498 HB1 ALA 69 3HB ALA 69 -1.245 9.253 -3.714 499 HB2 ALA 69 1HB ALA 69 -0.565 8.134 -4.907 500 HB3 ALA 69 2HB ALA 69 -0.226 9.877 -5.016 501 H ARG 70 H ARG 70 -2.079 6.986 -6.650 502 HA ARG 70 HA ARG 70 -4.553 5.905 -5.333 503 HE ARG 70 HE ARG 70 -7.455 7.180 -7.956 504 HB2 ARG 70 1HB ARG 70 -3.263 5.282 -8.016 505 HB3 ARG 70 2HB ARG 70 -4.129 4.048 -7.102 506 HG2 ARG 70 1HG ARG 70 -5.719 4.839 -8.574 507 HG3 ARG 70 2HG ARG 70 -6.124 5.509 -6.996 508 HD2 ARG 70 1HD ARG 70 -4.988 7.667 -7.741 509 HD3 ARG 70 2HD ARG 70 -4.810 6.936 -9.350 510 HH11 ARG 70 1HH1 ARG 70 -5.616 8.016 -10.839 511 HH12 ARG 70 2HH1 ARG 70 -7.023 8.657 -11.642 512 HH21 ARG 70 1HH2 ARG 70 -9.156 7.950 -9.026 513 HH22 ARG 70 2HH2 ARG 70 -9.001 8.623 -10.628 514 H HIS 71 H HIS 71 -4.378 4.061 -4.218 515 HA HIS 71 HA HIS 71 -1.650 2.950 -3.632 516 HD2 HIS 71 HD2 HIS 71 -2.638 0.564 -0.968 517 HE1 HIS 71 HE1 HIS 71 0.429 2.675 1.109 518 HE2 HIS 71 HE2 HIS 71 -0.773 0.437 0.880 519 HB2 HIS 71 1HB HIS 71 -2.826 4.444 -1.891 520 HB3 HIS 71 2HB HIS 71 -3.993 3.153 -1.707 521 H GLU 72 H GLU 72 -1.466 0.768 -3.675 522 HA GLU 72 HA GLU 72 -3.878 -0.958 -3.489 523 HB2 GLU 72 1HB GLU 72 -3.549 -0.845 -5.835 524 HB3 GLU 72 2HB GLU 72 -1.790 -0.961 -5.701 525 HG2 GLU 72 1HG GLU 72 -1.875 -3.241 -5.004 526 HG3 GLU 72 2HG GLU 72 -3.631 -3.199 -4.784 527 H TYR 73 H TYR 73 -3.580 -2.534 -2.085 528 HA TYR 73 HA TYR 73 -0.841 -3.526 -1.451 529 HD1 TYR 73 HD1 TYR 73 0.263 -4.550 0.842 530 HD2 TYR 73 HD2 TYR 73 -3.892 -4.108 1.925 531 HE1 TYR 73 HE1 TYR 73 0.505 -6.379 2.472 532 HE2 TYR 73 HE2 TYR 73 -3.651 -5.957 3.552 533 HH TYR 73 HH TYR 73 -0.543 -7.573 4.196 534 HB2 TYR 73 1HB TYR 73 -1.281 -2.264 0.469 535 HB3 TYR 73 2HB TYR 73 -2.998 -2.596 0.432 536 H THR 74 H THR 74 -0.762 -5.665 -1.822 537 HA THR 74 HA THR 74 -3.312 -7.254 -1.692 538 HB THR 74 HB THR 74 -3.053 -8.293 -3.657 539 HG1 THR 74 HG1 THR 74 -1.128 -8.466 -4.814 540 HG21 THR 74 3HG2 THR 74 -2.693 -6.782 -5.465 541 HG22 THR 74 1HG2 THR 74 -1.524 -5.816 -4.542 542 HG23 THR 74 2HG2 THR 74 -3.239 -5.740 -4.145 543 H PHE 75 H PHE 75 -3.172 -9.085 -0.608 544 HA PHE 75 HA PHE 75 -0.470 -10.051 0.293 545 HD1 PHE 75 HD1 PHE 75 0.406 -10.709 2.818 546 HD2 PHE 75 HD2 PHE 75 -3.810 -11.608 2.748 547 HE1 PHE 75 HE1 PHE 75 0.818 -12.682 4.173 548 HE2 PHE 75 HE2 PHE 75 -3.386 -13.662 4.056 549 HZ PHE 75 HZ PHE 75 -1.052 -14.249 4.729 550 HB2 PHE 75 1HB PHE 75 -1.315 -8.980 2.153 551 HB3 PHE 75 2HB PHE 75 -2.964 -9.471 1.891 552 H SER 76 H SER 76 -0.167 -12.210 -0.164 553 HA SER 76 HA SER 76 -2.488 -14.010 -0.810 554 HG SER 76 HG SER 76 -1.430 -13.749 -4.079 555 HB2 SER 76 1HB SER 76 -0.005 -13.367 -2.353 556 HB3 SER 76 2HB SER 76 -0.561 -15.035 -2.388 557 H ILE 77 H ILE 77 -2.365 -16.128 -0.155 558 HA ILE 77 HA ILE 77 0.097 -16.948 1.388 559 HB ILE 77 HB ILE 77 -2.726 -17.986 1.763 560 HG12 ILE 77 1HG1 ILE 77 -1.064 -15.912 3.166 561 HG13 ILE 77 2HG1 ILE 77 -2.746 -15.836 2.609 562 HG21 ILE 77 1HG2 ILE 77 -1.770 -19.280 3.607 563 HG22 ILE 77 2HG2 ILE 77 -0.897 -19.686 2.134 564 HG23 ILE 77 3HG2 ILE 77 -0.165 -18.576 3.316 565 HD11 ILE 77 3HD1 ILE 77 -3.341 -17.467 4.448 566 HD12 ILE 77 1HD1 ILE 77 -1.666 -17.277 5.051 567 HD13 ILE 77 2HD1 ILE 77 -2.754 -15.884 4.999 568 H MET 78 H MET 78 1.353 -18.404 0.477 569 HA MET 78 HA MET 78 0.188 -20.311 -1.483 570 HB2 MET 78 1HB MET 78 2.404 -20.284 -2.653 571 HB3 MET 78 2HB MET 78 1.407 -18.844 -2.844 572 HG2 MET 78 1HG MET 78 2.802 -17.517 -1.506 573 HG3 MET 78 2HG MET 78 3.561 -18.896 -0.723 574 HE1 MET 78 3HE MET 78 3.081 -17.362 -4.342 575 HE2 MET 78 1HE MET 78 4.535 -17.976 -5.164 576 HE3 MET 78 2HE MET 78 3.248 -19.100 -4.686 577 H ASP 79 H ASP 79 0.187 -22.275 -0.825 578 HA ASP 79 HA ASP 79 0.607 -24.241 0.156 579 HB2 ASP 79 1HB ASP 79 2.272 -24.039 -1.696 580 HB3 ASP 79 2HB ASP 79 3.479 -23.545 -0.505 581 H GLU 80 H GLU 80 3.523 -22.543 1.358 582 HA GLU 80 HA GLU 80 2.795 -23.136 4.190 583 HB2 GLU 80 1HB GLU 80 5.633 -23.425 3.188 584 HB3 GLU 80 2HB GLU 80 4.956 -23.917 4.740 585 HG2 GLU 80 1HG GLU 80 3.585 -25.640 3.408 586 HG3 GLU 80 2HG GLU 80 4.611 -25.202 2.025 587 H PHE 81 H PHE 81 3.363 -20.705 2.028 588 HA PHE 81 HA PHE 81 4.808 -19.050 4.100 589 HD1 PHE 81 HD1 PHE 81 6.945 -20.827 3.452 590 HD2 PHE 81 HD2 PHE 81 5.784 -19.593 -0.489 591 HE1 PHE 81 HE1 PHE 81 8.224 -22.728 2.483 592 HE2 PHE 81 HE2 PHE 81 6.996 -21.504 -1.474 593 HZ PHE 81 HZ PHE 81 8.252 -23.080 0.020 594 HB2 PHE 81 1HB PHE 81 5.144 -18.286 1.224 595 HB3 PHE 81 2HB PHE 81 6.238 -18.193 2.542 596 H GLN 82 H GLN 82 4.565 -16.722 3.609 597 HA GLN 82 HA GLN 82 1.884 -15.975 2.491 598 HB2 GLN 82 1HB GLN 82 3.150 -14.294 4.593 599 HB3 GLN 82 2HB GLN 82 1.448 -14.578 4.179 600 HG2 GLN 82 1HG GLN 82 1.624 -16.820 5.257 601 HG3 GLN 82 2HG GLN 82 3.218 -16.280 5.873 602 HE21 GLN 82 1HE2 GLN 82 3.213 -14.219 7.197 603 HE22 GLN 82 2HE2 GLN 82 1.783 -13.896 8.161 604 H GLU 83 H GLU 83 1.820 -14.168 1.269 605 HA GLU 83 HA GLU 83 4.391 -12.851 0.491 606 HB2 GLU 83 1HB GLU 83 2.064 -13.899 -1.162 607 HB3 GLU 83 2HB GLU 83 2.952 -12.495 -1.718 608 HG2 GLU 83 1HG GLU 83 5.053 -13.752 -1.657 609 HG3 GLU 83 2HG GLU 83 4.159 -15.226 -1.210 610 H TYR 84 H TYR 84 4.398 -10.754 0.636 611 HA TYR 84 HA TYR 84 1.844 -9.197 0.958 612 HD1 TYR 84 HD1 TYR 84 4.391 -11.021 3.392 613 HD2 TYR 84 HD2 TYR 84 1.334 -7.998 3.657 614 HE1 TYR 84 HE1 TYR 84 3.410 -12.204 5.363 615 HE2 TYR 84 HE2 TYR 84 0.426 -9.096 5.707 616 HH TYR 84 HH TYR 84 0.632 -10.836 7.183 617 HB2 TYR 84 1HB TYR 84 4.594 -8.784 2.177 618 HB3 TYR 84 2HB TYR 84 3.282 -7.629 2.255 619 H THR 85 H THR 85 1.578 -7.628 -0.608 620 HA THR 85 HA THR 85 4.020 -6.448 -1.805 621 HB THR 85 HB THR 85 3.586 -6.818 -3.982 622 HG1 THR 85 HG1 THR 85 0.888 -7.586 -3.512 623 HG21 THR 85 3HG2 THR 85 3.932 -9.103 -3.022 624 HG22 THR 85 1HG2 THR 85 2.923 -9.126 -4.469 625 HG23 THR 85 2HG2 THR 85 2.177 -9.299 -2.865 626 H MET 86 H MET 86 3.816 -4.349 -2.302 627 HA MET 86 HA MET 86 1.179 -2.957 -2.113 628 HB2 MET 86 1HB MET 86 2.125 -2.771 0.050 629 HB3 MET 86 2HB MET 86 3.716 -2.293 -0.580 630 HG2 MET 86 1HG MET 86 2.616 -0.228 -1.496 631 HG3 MET 86 2HG MET 86 1.101 -0.754 -0.747 632 HE1 MET 86 3HE MET 86 4.899 -0.322 0.001 633 HE2 MET 86 1HE MET 86 4.362 1.339 -0.298 634 HE3 MET 86 2HE MET 86 4.893 0.859 1.331 635 H LEU 87 H LEU 87 0.988 -1.256 -3.346 636 HA LEU 87 HA LEU 87 3.189 -0.156 -5.023 637 HG LEU 87 HG LEU 87 2.038 0.553 -7.362 638 HB2 LEU 87 1HB LEU 87 2.188 -2.202 -6.205 639 HB3 LEU 87 2HB LEU 87 0.659 -1.348 -6.209 640 HD11 LEU 87 1HD1 LEU 87 3.835 -0.259 -8.781 641 HD12 LEU 87 2HD1 LEU 87 3.604 -1.918 -8.166 642 HD13 LEU 87 3HD1 LEU 87 4.186 -0.645 -7.085 643 HD21 LEU 87 3HD2 LEU 87 1.481 -0.357 -9.577 644 HD22 LEU 87 1HD2 LEU 87 0.157 -0.608 -8.427 645 HD23 LEU 87 2HD2 LEU 87 1.222 -1.965 -8.856 646 H CYS 88 H CYS 88 2.915 1.902 -4.365 647 HA CYS 88 HA CYS 88 0.396 3.337 -4.935 648 HB2 CYS 88 1HB CYS 88 0.341 2.868 -2.533 649 HB3 CYS 88 2HB CYS 88 1.986 3.406 -2.355 650 H LEU 89 H LEU 89 0.785 5.286 -5.865 651 HA LEU 89 HA LEU 89 3.360 6.033 -6.882 652 HG LEU 89 HG LEU 89 2.429 9.220 -6.801 653 HB2 LEU 89 1HB LEU 89 1.365 6.662 -8.056 654 HB3 LEU 89 2HB LEU 89 0.693 7.457 -6.640 655 HD11 LEU 89 1HD1 LEU 89 3.769 9.488 -8.759 656 HD12 LEU 89 2HD1 LEU 89 3.134 7.991 -9.481 657 HD13 LEU 89 3HD1 LEU 89 4.158 7.909 -8.035 658 HD21 LEU 89 3HD2 LEU 89 0.278 9.642 -7.901 659 HD22 LEU 89 1HD2 LEU 89 0.851 8.798 -9.366 660 HD23 LEU 89 2HD2 LEU 89 1.610 10.314 -8.864 661 H LEU 90 H LEU 90 1.676 6.921 -3.904 662 HA LEU 90 HA LEU 90 3.735 8.958 -3.200 663 HG LEU 90 HG LEU 90 2.487 8.696 -0.120 664 HB2 LEU 90 1HB LEU 90 1.439 9.635 -2.846 665 HB3 LEU 90 2HB LEU 90 1.044 8.127 -2.049 666 HD11 LEU 90 1HD1 LEU 90 4.150 10.105 -1.337 667 HD12 LEU 90 2HD1 LEU 90 3.508 10.813 0.130 668 HD13 LEU 90 3HD1 LEU 90 2.917 11.391 -1.439 669 HD21 LEU 90 3HD2 LEU 90 1.148 10.512 0.784 670 HD22 LEU 90 1HD2 LEU 90 0.145 9.338 -0.085 671 HD23 LEU 90 2HD2 LEU 90 0.530 10.898 -0.847 672 H CYS 91 H CYS 91 2.042 6.256 -1.535 673 HA CYS 91 HA CYS 91 3.898 6.167 0.531 674 HB2 CYS 91 1HB CYS 91 1.851 4.147 -0.406 675 HB3 CYS 91 2HB CYS 91 2.657 4.047 1.149 676 H GLY 92 H GLY 92 3.750 4.191 -2.418 677 HA2 GLY 92 1HA GLY 92 6.135 3.778 -3.182 678 HA3 GLY 92 2HA GLY 92 6.386 3.010 -1.633 679 H LYS 93 H LYS 93 7.212 1.721 -3.653 680 HA LYS 93 HA LYS 93 5.284 -0.513 -4.059 681 HB2 LYS 93 1HB LYS 93 5.838 0.400 -6.177 682 HB3 LYS 93 2HB LYS 93 7.535 0.483 -5.797 683 HG2 LYS 93 1HG LYS 93 7.652 -2.038 -5.705 684 HG3 LYS 93 2HG LYS 93 5.928 -2.101 -6.061 685 HD2 LYS 93 1HD LYS 93 7.137 -2.558 -8.090 686 HD3 LYS 93 2HD LYS 93 6.356 -0.981 -8.267 687 HE2 LYS 93 1HE LYS 93 8.510 0.143 -7.712 688 HE3 LYS 93 2HE LYS 93 9.279 -1.440 -7.523 689 HZ1 LYS 93 3HZ LYS 93 8.801 -1.879 -9.873 690 HZ2 LYS 93 1HZ LYS 93 9.686 -0.516 -9.733 691 HZ3 LYS 93 2HZ LYS 93 8.089 -0.418 -10.050 692 H ALA 94 H ALA 94 5.637 -2.175 -2.836 693 HA ALA 94 HA ALA 94 8.381 -3.030 -2.230 694 HB1 ALA 94 3HB ALA 94 6.266 -2.426 -0.112 695 HB2 ALA 94 1HB ALA 94 7.864 -3.121 0.213 696 HB3 ALA 94 2HB ALA 94 7.730 -1.460 -0.398 697 H GLU 95 H GLU 95 8.573 -5.191 -1.320 698 HA GLU 95 HA GLU 95 6.210 -6.912 -1.295 699 HB2 GLU 95 1HB GLU 95 6.806 -6.926 -3.665 700 HB3 GLU 95 2HB GLU 95 8.494 -7.267 -3.264 701 HG2 GLU 95 1HG GLU 95 7.877 -9.493 -2.417 702 HG3 GLU 95 2HG GLU 95 6.174 -9.154 -2.716 703 H ASP 96 H ASP 96 6.419 -8.629 0.044 704 HA ASP 96 HA ASP 96 9.053 -9.454 1.075 705 HB2 ASP 96 1HB ASP 96 7.952 -7.664 2.619 706 HB3 ASP 96 2HB ASP 96 6.719 -8.862 2.945 707 H THR 97 H THR 97 9.037 -11.607 1.994 708 HA THR 97 HA THR 97 6.485 -13.080 1.838 709 HB THR 97 HB THR 97 8.939 -14.483 0.831 710 HG1 THR 97 HG1 THR 97 8.695 -12.712 -0.547 711 HG21 THR 97 3HG2 THR 97 6.876 -15.781 1.387 712 HG22 THR 97 1HG2 THR 97 7.258 -15.853 -0.348 713 HG23 THR 97 2HG2 THR 97 5.974 -14.775 0.247 714 H ILE 98 H ILE 98 6.151 -14.466 3.491 715 HA ILE 98 HA ILE 98 8.384 -14.940 5.449 716 HB ILE 98 HB ILE 98 5.467 -14.756 6.195 717 HG12 ILE 98 1HG1 ILE 98 7.444 -12.450 6.109 718 HG13 ILE 98 2HG1 ILE 98 5.919 -12.598 5.207 719 HG21 ILE 98 1HG2 ILE 98 6.324 -14.443 8.442 720 HG22 ILE 98 2HG2 ILE 98 7.094 -15.854 7.742 721 HG23 ILE 98 3HG2 ILE 98 7.992 -14.320 7.823 722 HD11 ILE 98 3HD1 ILE 98 4.686 -12.543 7.411 723 HD12 ILE 98 1HD1 ILE 98 6.234 -12.139 8.194 724 HD13 ILE 98 2HD1 ILE 98 5.546 -11.050 6.984 725 H SER 99 H SER 99 8.769 -17.072 5.876 726 HA SER 99 HA SER 99 6.887 -19.121 4.872 727 HG SER 99 HG SER 99 10.658 -19.834 6.186 728 HB2 SER 99 1HB SER 99 8.579 -20.739 5.666 729 HB3 SER 99 2HB SER 99 9.156 -19.584 4.453 730 H ILE 100 H ILE 100 5.540 -20.356 6.104 731 HA ILE 100 HA ILE 100 5.529 -19.973 9.046 732 HB ILE 100 HB ILE 100 3.063 -19.677 9.014 733 HG12 ILE 100 1HG1 ILE 100 2.041 -18.612 6.993 734 HG13 ILE 100 2HG1 ILE 100 3.394 -19.174 6.025 735 HG21 ILE 100 1HG2 ILE 100 4.591 -17.473 7.589 736 HG22 ILE 100 2HG2 ILE 100 3.147 -17.306 8.604 737 HG23 ILE 100 3HG2 ILE 100 4.682 -17.817 9.327 738 HD11 ILE 100 3HD1 ILE 100 2.716 -21.530 6.504 739 HD12 ILE 100 1HD1 ILE 100 1.417 -20.929 7.559 740 HD13 ILE 100 2HD1 ILE 100 1.383 -20.591 5.816 741 H LEU 101 H LEU 101 3.615 -21.387 9.971 742 HA LEU 101 HA LEU 101 3.747 -24.171 8.932 743 HG LEU 101 HG LEU 101 6.416 -23.189 10.095 744 HB2 LEU 101 1HB LEU 101 4.467 -22.985 11.650 745 HB3 LEU 101 2HB LEU 101 4.153 -24.700 11.474 746 HD11 LEU 101 1HD1 LEU 101 6.698 -23.397 12.537 747 HD12 LEU 101 2HD1 LEU 101 7.857 -24.407 11.661 748 HD13 LEU 101 3HD1 LEU 101 6.435 -25.152 12.425 749 HD21 LEU 101 3HD2 LEU 101 5.737 -25.139 8.750 750 HD22 LEU 101 1HD2 LEU 101 5.772 -26.174 10.197 751 HD23 LEU 101 2HD2 LEU 101 7.271 -25.464 9.559 752 HA PRO 102 HA PRO 102 -0.531 -24.337 10.141 753 HB2 PRO 102 1HB PRO 102 -0.855 -26.767 11.414 754 HB3 PRO 102 2HB PRO 102 -0.645 -26.559 9.648 755 HG2 PRO 102 1HG PRO 102 1.482 -27.216 11.705 756 HG3 PRO 102 2HG PRO 102 1.166 -28.030 10.138 757 HD2 PRO 102 1HD PRO 102 3.102 -26.178 10.354 758 HD3 PRO 102 2HD PRO 102 2.057 -26.203 8.912 759 H ASP 103 H ASP 103 1.892 -24.392 12.593 760 HA ASP 103 HA ASP 103 0.203 -24.068 14.929 761 HB2 ASP 103 1HB ASP 103 2.570 -24.960 14.857 762 HB3 ASP 103 2HB ASP 103 3.124 -23.330 14.482 763 H ASP 104 H ASP 104 0.637 -22.050 12.326 764 HA ASP 104 HA ASP 104 0.360 -19.909 11.811 765 HB2 ASP 104 1HB ASP 104 -1.821 -20.579 12.895 766 HB3 ASP 104 2HB ASP 104 -1.317 -19.693 14.331 767 HA PRO 105 HA PRO 105 3.512 -18.297 14.939 768 HB2 PRO 105 1HB PRO 105 5.832 -18.430 13.498 769 HB3 PRO 105 2HB PRO 105 5.163 -19.813 14.414 770 HG2 PRO 105 1HG PRO 105 4.849 -19.223 11.453 771 HG3 PRO 105 2HG PRO 105 5.349 -20.759 12.229 772 HD2 PRO 105 1HD PRO 105 2.764 -20.310 11.472 773 HD3 PRO 105 2HD PRO 105 3.162 -21.212 12.966 774 H ARG 106 H ARG 106 3.059 -17.521 11.508 775 HA ARG 106 HA ARG 106 3.361 -15.587 10.248 776 HE ARG 106 HE ARG 106 -0.449 -13.241 11.870 777 HB2 ARG 106 1HB ARG 106 1.874 -14.685 12.730 778 HB3 ARG 106 2HB ARG 106 2.046 -13.649 11.313 779 HG2 ARG 106 1HG ARG 106 0.591 -14.822 10.026 780 HG3 ARG 106 2HG ARG 106 1.048 -16.385 10.696 781 HD2 ARG 106 1HD ARG 106 -1.245 -15.850 11.267 782 HD3 ARG 106 2HD ARG 106 -0.221 -15.994 12.710 783 HH11 ARG 106 1HH1 ARG 106 -2.292 -15.769 13.496 784 HH12 ARG 106 2HH1 ARG 106 -3.226 -14.606 14.409 785 HH21 ARG 106 1HH2 ARG 106 -1.696 -11.828 13.076 786 HH22 ARG 106 2HH2 ARG 106 -2.899 -12.445 14.170 787 H GLN 107 H GLN 107 5.771 -16.141 11.546 788 HA GLN 107 HA GLN 107 7.026 -14.095 12.923 789 HB2 GLN 107 1HB GLN 107 9.116 -15.052 12.242 790 HB3 GLN 107 2HB GLN 107 7.955 -16.340 12.546 791 HG2 GLN 107 1HG GLN 107 7.587 -16.574 10.081 792 HG3 GLN 107 2HG GLN 107 8.788 -15.318 9.786 793 HE21 GLN 107 1HE2 GLN 107 8.735 -18.298 9.068 794 HE22 GLN 107 2HE2 GLN 107 10.274 -18.875 9.700 Start of MODEL 14 1 HA CYS 2 HA CYS 2 -1.250 14.805 -10.671 2 H1 CYS 2 1H CYS 2 -1.171 15.559 -7.942 3 HB2 CYS 2 1HB CYS 2 -0.127 17.225 -10.738 4 HB3 CYS 2 2HB CYS 2 -1.824 16.950 -10.456 5 H GLY 3 H GLY 3 0.767 13.569 -8.683 6 HA2 GLY 3 1HA GLY 3 2.748 12.399 -8.898 7 HA3 GLY 3 2HA GLY 3 2.948 12.973 -10.547 8 H ASP 4 H ASP 4 2.740 15.840 -9.793 9 HA ASP 4 HA ASP 4 5.446 16.396 -8.846 10 HB2 ASP 4 1HB ASP 4 2.992 18.094 -9.395 11 HB3 ASP 4 2HB ASP 4 4.448 18.774 -8.666 12 H CYS 5 H CYS 5 2.420 15.667 -7.304 13 HA CYS 5 HA CYS 5 2.730 16.873 -4.783 14 HB2 CYS 5 1HB CYS 5 1.353 14.253 -5.581 15 HB3 CYS 5 2HB CYS 5 1.256 14.969 -4.015 16 H VAL 6 H VAL 6 4.383 14.072 -6.173 17 HA VAL 6 HA VAL 6 5.353 13.185 -3.474 18 HB VAL 6 HB VAL 6 5.677 11.028 -4.311 19 HG11 VAL 6 1HG1 VAL 6 3.364 10.336 -4.720 20 HG12 VAL 6 2HG1 VAL 6 3.438 11.586 -3.471 21 HG13 VAL 6 3HG1 VAL 6 2.903 11.991 -5.114 22 HG21 VAL 6 3HG2 VAL 6 5.020 10.194 -6.468 23 HG22 VAL 6 1HG2 VAL 6 4.489 11.793 -6.998 24 HG23 VAL 6 2HG2 VAL 6 6.216 11.460 -6.727 25 H GLU 7 H GLU 7 7.555 13.026 -3.067 26 HA GLU 7 HA GLU 7 9.433 14.463 -4.706 27 HB2 GLU 7 1HB GLU 7 9.718 14.399 -2.326 28 HB3 GLU 7 2HB GLU 7 9.789 12.652 -2.281 29 HG2 GLU 7 1HG GLU 7 11.909 12.615 -3.376 30 HG3 GLU 7 2HG GLU 7 11.823 14.344 -3.756 31 H LYS 8 H LYS 8 8.733 11.002 -4.316 32 HA LYS 8 HA LYS 8 10.109 10.398 -6.896 33 HB2 LYS 8 1HB LYS 8 10.340 8.836 -4.278 34 HB3 LYS 8 2HB LYS 8 10.786 8.185 -5.859 35 HG2 LYS 8 1HG LYS 8 12.462 10.004 -6.140 36 HG3 LYS 8 2HG LYS 8 12.057 10.610 -4.522 37 HD2 LYS 8 1HD LYS 8 12.741 8.444 -3.529 38 HD3 LYS 8 2HD LYS 8 13.165 7.839 -5.148 39 HE2 LYS 8 1HE LYS 8 14.812 9.690 -5.397 40 HE3 LYS 8 2HE LYS 8 14.393 10.280 -3.783 41 HZ1 LYS 8 3HZ LYS 8 15.588 7.621 -4.367 42 HZ2 LYS 8 1HZ LYS 8 15.198 8.163 -2.874 43 HZ3 LYS 8 2HZ LYS 8 16.383 8.892 -3.726 44 H GLU 9 H GLU 9 9.055 8.901 -8.132 45 HA GLU 9 HA GLU 9 6.240 8.277 -7.493 46 HB2 GLU 9 1HB GLU 9 8.085 7.847 -9.879 47 HB3 GLU 9 2HB GLU 9 6.501 7.079 -9.807 48 HG2 GLU 9 1HG GLU 9 5.334 8.958 -10.139 49 HG3 GLU 9 2HG GLU 9 6.467 10.009 -9.290 50 H TYR 10 H TYR 10 5.622 6.431 -6.501 51 HA TYR 10 HA TYR 10 5.775 4.438 -5.395 52 HD1 TYR 10 HD1 TYR 10 5.371 5.371 -9.138 53 HD2 TYR 10 HD2 TYR 10 3.776 2.044 -6.870 54 HE1 TYR 10 HE1 TYR 10 3.163 5.761 -10.138 55 HE2 TYR 10 HE2 TYR 10 1.527 2.494 -7.844 56 HH TYR 10 HH TYR 10 0.298 3.748 -9.315 57 HB2 TYR 10 1HB TYR 10 6.855 3.446 -8.038 58 HB3 TYR 10 2HB TYR 10 6.089 2.500 -6.793 59 HA PRO 11 HA PRO 11 10.354 4.835 -4.460 60 HB2 PRO 11 1HB PRO 11 10.067 5.524 -1.812 61 HB3 PRO 11 2HB PRO 11 10.017 6.728 -3.153 62 HG2 PRO 11 1HG PRO 11 7.663 5.380 -1.796 63 HG3 PRO 11 2HG PRO 11 7.959 7.130 -2.029 64 HD2 PRO 11 1HD PRO 11 6.430 5.802 -3.783 65 HD3 PRO 11 2HD PRO 11 7.651 6.926 -4.409 66 H ASN 12 H ASN 12 11.574 3.126 -3.417 67 HA ASN 12 HA ASN 12 9.964 0.810 -2.566 68 HB2 ASN 12 1HB ASN 12 12.999 1.301 -2.599 69 HB3 ASN 12 2HB ASN 12 12.236 -0.227 -2.185 70 HD21 ASN 12 1HD2 ASN 12 13.431 1.659 -4.773 71 HD22 ASN 12 2HD2 ASN 12 12.817 0.630 -6.061 72 H ARG 13 H ARG 13 9.844 -0.027 -0.517 73 HA ARG 13 HA ARG 13 10.575 1.799 1.768 74 HE ARG 13 HE ARG 13 9.183 3.810 3.392 75 HB2 ARG 13 1HB ARG 13 8.070 0.098 1.435 76 HB3 ARG 13 2HB ARG 13 8.445 1.149 2.799 77 HG2 ARG 13 1HG ARG 13 7.937 2.068 -0.044 78 HG3 ARG 13 2HG ARG 13 6.828 2.159 1.315 79 HD2 ARG 13 1HD ARG 13 9.498 3.604 1.110 80 HD3 ARG 13 2HD ARG 13 7.939 4.342 0.832 81 HH11 ARG 13 1HH1 ARG 13 6.027 4.255 1.931 82 HH12 ARG 13 2HH1 ARG 13 5.259 4.520 3.478 83 HH21 ARG 13 1HH2 ARG 13 8.145 4.192 5.311 84 HH22 ARG 13 2HH2 ARG 13 6.438 4.512 5.329 85 H GLY 14 H GLY 14 12.168 -0.466 0.854 86 HA2 GLY 14 1HA GLY 14 13.355 -2.239 1.779 87 HA3 GLY 14 2HA GLY 14 12.972 -1.525 3.353 88 H ASN 15 H ASN 15 10.745 -2.827 0.975 89 HA ASN 15 HA ASN 15 9.375 -4.561 0.791 90 HB2 ASN 15 1HB ASN 15 10.628 -5.874 3.234 91 HB3 ASN 15 2HB ASN 15 9.597 -6.598 2.034 92 HD21 ASN 15 1HD2 ASN 15 11.379 -8.165 2.153 93 HD22 ASN 15 2HD2 ASN 15 12.702 -7.923 0.998 94 H THR 16 H THR 16 8.920 -2.215 2.949 95 HA THR 16 HA THR 16 6.944 -3.327 4.770 96 HB THR 16 HB THR 16 7.499 -0.467 3.893 97 HG1 THR 16 HG1 THR 16 9.240 -1.120 4.922 98 HG21 THR 16 3HG2 THR 16 5.850 -1.527 6.204 99 HG22 THR 16 1HG2 THR 16 5.344 -0.432 4.882 100 HG23 THR 16 2HG2 THR 16 6.478 0.135 6.108 101 H CYS 17 H CYS 17 4.875 -4.021 4.171 102 HA CYS 17 HA CYS 17 3.516 -2.621 1.914 103 HG CYS 17 HG CYS 17 5.756 -5.105 1.842 104 HB2 CYS 17 1HB CYS 17 3.339 -5.540 2.741 105 HB3 CYS 17 2HB CYS 17 2.479 -4.785 1.392 106 H LEU 18 H LEU 18 1.993 -1.335 2.777 107 HA LEU 18 HA LEU 18 0.356 -2.225 5.134 108 HG LEU 18 HG LEU 18 1.035 -0.644 7.180 109 HB2 LEU 18 1HB LEU 18 1.724 0.352 4.395 110 HB3 LEU 18 2HB LEU 18 0.211 0.444 5.259 111 HD11 LEU 18 1HD1 LEU 18 3.476 -1.338 5.544 112 HD12 LEU 18 2HD1 LEU 18 2.415 -2.421 6.469 113 HD13 LEU 18 3HD1 LEU 18 3.499 -1.328 7.327 114 HD21 LEU 18 3HD2 LEU 18 2.825 0.882 7.847 115 HD22 LEU 18 1HD2 LEU 18 1.646 1.743 6.845 116 HD23 LEU 18 2HD2 LEU 18 3.201 1.233 6.146 117 H GLU 19 H GLU 19 -1.699 -1.725 5.306 118 HA GLU 19 HA GLU 19 -3.269 -1.054 2.869 119 HB2 GLU 19 1HB GLU 19 -5.068 -2.187 3.905 120 HB3 GLU 19 2HB GLU 19 -3.682 -3.228 4.075 121 HG2 GLU 19 1HG GLU 19 -4.816 -1.474 6.285 122 HG3 GLU 19 2HG GLU 19 -5.216 -3.155 6.031 123 H ASN 20 H ASN 20 -1.985 0.615 5.392 124 HA ASN 20 HA ASN 20 -4.177 2.640 5.478 125 HB2 ASN 20 1HB ASN 20 -2.757 1.333 7.851 126 HB3 ASN 20 2HB ASN 20 -3.635 2.846 7.990 127 HD21 ASN 20 1HD2 ASN 20 -4.017 -0.191 8.871 128 HD22 ASN 20 2HD2 ASN 20 -5.753 -0.342 8.644 129 H GLY 21 H GLY 21 -3.530 4.730 6.148 130 HA2 GLY 21 1HA GLY 21 -2.035 6.400 6.831 131 HA3 GLY 21 2HA GLY 21 -0.661 5.368 6.475 132 H SER 22 H SER 22 -0.119 7.624 5.791 133 HA SER 22 HA SER 22 -0.143 7.929 2.837 134 HG SER 22 HG SER 22 -2.711 8.888 4.066 135 HB2 SER 22 1HB SER 22 -0.954 10.119 4.781 136 HB3 SER 22 2HB SER 22 -0.469 10.354 3.095 137 H PHE 23 H PHE 23 1.977 8.051 2.325 138 HA PHE 23 HA PHE 23 3.964 8.420 4.350 139 HD1 PHE 23 HD1 PHE 23 6.014 8.038 4.698 140 HD2 PHE 23 HD2 PHE 23 6.298 7.170 0.483 141 HE1 PHE 23 HE1 PHE 23 8.442 7.654 4.927 142 HE2 PHE 23 HE2 PHE 23 8.738 6.834 0.713 143 HZ PHE 23 HZ PHE 23 9.832 7.157 2.940 144 HB2 PHE 23 1HB PHE 23 4.027 6.840 2.466 145 HB3 PHE 23 2HB PHE 23 4.280 8.160 1.350 146 H LEU 24 H LEU 24 3.466 10.525 5.110 147 HA LEU 24 HA LEU 24 3.634 12.894 3.742 148 HG LEU 24 HG LEU 24 2.432 11.521 6.584 149 HB2 LEU 24 1HB LEU 24 4.657 12.463 6.576 150 HB3 LEU 24 2HB LEU 24 4.087 13.973 5.877 151 HD11 LEU 24 1HD1 LEU 24 3.056 13.030 8.435 152 HD12 LEU 24 2HD1 LEU 24 1.314 13.063 8.117 153 HD13 LEU 24 3HD1 LEU 24 2.341 14.403 7.559 154 HD21 LEU 24 3HD2 LEU 24 1.540 14.051 5.137 155 HD22 LEU 24 1HD2 LEU 24 0.449 12.857 5.873 156 HD23 LEU 24 2HD2 LEU 24 1.467 12.380 4.519 157 H LEU 25 H LEU 25 6.403 10.980 4.744 158 HA LEU 25 HA LEU 25 8.426 13.007 4.331 159 HG LEU 25 HG LEU 25 8.219 11.389 6.675 160 HB2 LEU 25 1HB LEU 25 8.405 10.000 4.573 161 HB3 LEU 25 2HB LEU 25 9.899 10.818 4.184 162 HD11 LEU 25 1HD1 LEU 25 10.755 9.731 6.346 163 HD12 LEU 25 2HD1 LEU 25 9.132 9.111 6.727 164 HD13 LEU 25 3HD1 LEU 25 9.972 10.144 7.890 165 HD21 LEU 25 3HD2 LEU 25 10.296 12.483 7.504 166 HD22 LEU 25 1HD2 LEU 25 9.652 13.308 6.087 167 HD23 LEU 25 2HD2 LEU 25 11.055 12.230 5.917 168 H ASN 26 H ASN 26 6.580 11.163 2.051 169 HA ASN 26 HA ASN 26 8.513 11.821 -0.154 170 HB2 ASN 26 1HB ASN 26 7.767 9.456 0.103 171 HB3 ASN 26 2HB ASN 26 6.110 9.951 -0.177 172 HD21 ASN 26 1HD2 ASN 26 5.954 8.708 -2.191 173 HD22 ASN 26 2HD2 ASN 26 6.858 9.232 -3.617 174 H PHE 27 H PHE 27 5.210 12.329 1.100 175 HA PHE 27 HA PHE 27 4.264 13.827 -1.168 176 HD1 PHE 27 HD1 PHE 27 2.053 14.330 -1.819 177 HD2 PHE 27 HD2 PHE 27 1.989 15.789 2.227 178 HE1 PHE 27 HE1 PHE 27 0.300 16.008 -2.471 179 HE2 PHE 27 HE2 PHE 27 0.249 17.451 1.585 180 HZ PHE 27 HZ PHE 27 -0.625 17.515 -0.734 181 HB2 PHE 27 1HB PHE 27 2.741 12.880 0.485 182 HB3 PHE 27 2HB PHE 27 3.362 13.956 1.722 183 H THR 28 H THR 28 5.171 15.629 -1.903 184 HA THR 28 HA THR 28 6.575 17.537 -0.080 185 HB THR 28 HB THR 28 7.329 18.585 -2.257 186 HG1 THR 28 HG1 THR 28 7.045 17.396 -4.105 187 HG21 THR 28 3HG2 THR 28 7.990 15.657 -1.807 188 HG22 THR 28 1HG2 THR 28 8.762 17.038 -1.004 189 HG23 THR 28 2HG2 THR 28 8.963 16.809 -2.751 190 H GLY 29 H GLY 29 3.463 17.191 -0.863 191 HA2 GLY 29 1HA GLY 29 1.778 18.796 -0.395 192 HA3 GLY 29 2HA GLY 29 2.862 20.113 -0.788 193 H CYS 30 H CYS 30 0.181 19.493 -1.826 194 HA CYS 30 HA CYS 30 0.091 18.346 -4.327 195 HB2 CYS 30 1HB CYS 30 -1.795 19.211 -2.765 196 HB3 CYS 30 2HB CYS 30 -1.552 20.764 -3.516 197 H ALA 31 H ALA 31 -0.479 19.340 -6.308 198 HA ALA 31 HA ALA 31 0.962 21.876 -6.917 199 HB1 ALA 31 3HB ALA 31 2.087 21.144 -8.767 200 HB2 ALA 31 1HB ALA 31 2.228 19.727 -7.684 201 HB3 ALA 31 2HB ALA 31 1.030 19.761 -9.016 202 H VAL 32 H VAL 32 -2.010 20.153 -7.131 203 HA VAL 32 HA VAL 32 -3.034 21.708 -9.378 204 HB VAL 32 HB VAL 32 -4.377 19.983 -7.263 205 HG11 VAL 32 1HG1 VAL 32 -6.543 20.285 -8.387 206 HG12 VAL 32 2HG1 VAL 32 -5.998 21.787 -7.654 207 HG13 VAL 32 3HG1 VAL 32 -5.846 21.568 -9.415 208 HG21 VAL 32 3HG2 VAL 32 -5.095 18.652 -9.196 209 HG22 VAL 32 1HG2 VAL 32 -4.321 19.808 -10.312 210 HG23 VAL 32 2HG2 VAL 32 -3.341 18.836 -9.197 211 H CYS 33 H CYS 33 -2.870 22.027 -5.858 212 HA CYS 33 HA CYS 33 -3.810 24.855 -6.031 213 HB2 CYS 33 1HB CYS 33 -4.891 24.540 -3.937 214 HB3 CYS 33 2HB CYS 33 -5.488 23.321 -5.076 215 H SER 34 H SER 34 -1.264 22.805 -4.891 216 HA SER 34 HA SER 34 0.778 23.307 -4.040 217 HG SER 34 HG SER 34 2.178 25.388 -2.930 218 HB2 SER 34 1HB SER 34 0.410 25.573 -5.149 219 HB3 SER 34 2HB SER 34 0.117 26.182 -3.510 220 H LYS 35 H LYS 35 -1.594 22.526 -2.230 221 HA LYS 35 HA LYS 35 -0.729 23.628 0.413 222 HB2 LYS 35 1HB LYS 35 -3.000 21.841 -0.504 223 HB3 LYS 35 2HB LYS 35 -2.624 22.094 1.190 224 HG2 LYS 35 1HG LYS 35 -2.741 24.688 -0.149 225 HG3 LYS 35 2HG LYS 35 -4.202 23.757 -0.493 226 HD2 LYS 35 1HD LYS 35 -4.656 23.419 1.839 227 HD3 LYS 35 2HD LYS 35 -3.093 24.161 2.294 228 HE2 LYS 35 1HE LYS 35 -3.855 26.299 1.218 229 HE3 LYS 35 2HE LYS 35 -5.418 25.551 0.870 230 HZ1 LYS 35 3HZ LYS 35 -4.296 25.982 3.591 231 HZ2 LYS 35 1HZ LYS 35 -5.742 25.285 3.276 232 HZ3 LYS 35 2HZ LYS 35 -5.496 26.858 2.915 233 H ARG 36 H ARG 36 0.157 22.465 2.065 234 HA ARG 36 HA ARG 36 0.910 19.602 1.620 235 HE ARG 36 HE ARG 36 5.132 17.530 2.024 236 HB2 ARG 36 1HB ARG 36 2.854 21.161 1.417 237 HB3 ARG 36 2HB ARG 36 2.656 21.536 3.138 238 HG2 ARG 36 1HG ARG 36 3.163 19.286 3.792 239 HG3 ARG 36 2HG ARG 36 2.855 18.658 2.158 240 HD2 ARG 36 1HD ARG 36 4.815 19.880 1.336 241 HD3 ARG 36 2HD ARG 36 5.188 20.402 2.982 242 HH11 ARG 36 1HH1 ARG 36 6.530 19.823 4.289 243 HH12 ARG 36 2HH1 ARG 36 7.539 18.593 4.999 244 HH21 ARG 36 1HH2 ARG 36 6.346 16.062 2.976 245 HH22 ARG 36 2HH2 ARG 36 7.441 16.501 4.264 246 H ASP 37 H ASP 37 1.182 18.410 3.718 247 HA ASP 37 HA ASP 37 0.133 17.453 5.431 248 HB2 ASP 37 1HB ASP 37 0.002 18.547 7.493 249 HB3 ASP 37 2HB ASP 37 1.495 18.950 6.670 250 H PHE 38 H PHE 38 -1.496 18.509 3.344 251 HA PHE 38 HA PHE 38 -4.239 18.430 4.515 252 HD1 PHE 38 HD1 PHE 38 -2.751 20.922 5.089 253 HD2 PHE 38 HD2 PHE 38 -6.240 21.082 2.574 254 HE1 PHE 38 HE1 PHE 38 -3.594 22.861 6.375 255 HE2 PHE 38 HE2 PHE 38 -7.070 23.045 3.830 256 HZ PHE 38 HZ PHE 38 -5.758 23.928 5.766 257 HB2 PHE 38 1HB PHE 38 -3.021 20.059 2.320 258 HB3 PHE 38 2HB PHE 38 -4.655 19.495 2.100 259 H MET 39 H MET 39 -4.718 16.318 4.393 260 HA MET 39 HA MET 39 -5.348 15.211 1.823 261 HB2 MET 39 1HB MET 39 -3.939 13.015 2.353 262 HB3 MET 39 2HB MET 39 -3.324 14.311 1.366 263 HG2 MET 39 1HG MET 39 -1.936 15.161 3.091 264 HG3 MET 39 2HG MET 39 -2.834 14.311 4.354 265 HE1 MET 39 3HE MET 39 -1.478 12.442 1.000 266 HE2 MET 39 1HE MET 39 -0.428 13.859 1.279 267 HE3 MET 39 2HE MET 39 0.190 12.215 1.561 268 H LEU 40 H LEU 40 -6.566 13.498 1.792 269 HA LEU 40 HA LEU 40 -7.790 12.239 4.208 270 HG LEU 40 HG LEU 40 -10.428 14.748 3.173 271 HB2 LEU 40 1HB LEU 40 -8.952 13.705 1.825 272 HB3 LEU 40 2HB LEU 40 -9.822 12.343 2.425 273 HD11 LEU 40 1HD1 LEU 40 -11.394 13.813 5.261 274 HD12 LEU 40 2HD1 LEU 40 -10.302 12.415 5.144 275 HD13 LEU 40 3HD1 LEU 40 -11.565 12.675 3.920 276 HD21 LEU 40 3HD2 LEU 40 -9.607 15.395 5.342 277 HD22 LEU 40 1HD2 LEU 40 -8.302 15.373 4.136 278 HD23 LEU 40 2HD2 LEU 40 -8.440 14.065 5.340 279 H ILE 41 H ILE 41 -8.953 10.215 3.567 280 HA ILE 41 HA ILE 41 -7.970 8.846 1.111 281 HB ILE 41 HB ILE 41 -8.135 7.772 3.941 282 HG12 ILE 41 1HG1 ILE 41 -5.824 7.698 1.940 283 HG13 ILE 41 2HG1 ILE 41 -6.006 8.919 3.197 284 HG21 ILE 41 1HG2 ILE 41 -9.183 6.061 2.516 285 HG22 ILE 41 2HG2 ILE 41 -7.885 6.195 1.320 286 HG23 ILE 41 3HG2 ILE 41 -7.579 5.493 2.915 287 HD11 ILE 41 3HD1 ILE 41 -5.530 5.955 3.656 288 HD12 ILE 41 1HD1 ILE 41 -4.451 7.311 4.008 289 HD13 ILE 41 2HD1 ILE 41 -5.944 7.117 4.940 290 H THR 42 H THR 42 -9.593 7.908 -0.003 291 HA THR 42 HA THR 42 -12.181 7.332 1.257 292 HB THR 42 HB THR 42 -12.103 9.805 0.375 293 HG1 THR 42 HG1 THR 42 -14.304 9.589 0.047 294 HG21 THR 42 3HG2 THR 42 -13.221 8.630 -2.157 295 HG22 THR 42 1HG2 THR 42 -11.476 8.873 -2.043 296 HG23 THR 42 2HG2 THR 42 -12.585 10.247 -1.832 297 H ASN 43 H ASN 43 -13.744 6.549 -0.563 298 HA ASN 43 HA ASN 43 -14.269 4.891 -2.049 299 HB2 ASN 43 1HB ASN 43 -13.660 6.684 -3.490 300 HB3 ASN 43 2HB ASN 43 -11.952 6.366 -3.342 301 HD21 ASN 43 1HD2 ASN 43 -11.094 5.556 -5.138 302 HD22 ASN 43 2HD2 ASN 43 -11.958 4.528 -6.285 303 H LYS 44 H LYS 44 -12.207 4.270 0.084 304 HA LYS 44 HA LYS 44 -10.431 2.249 -0.676 305 HB2 LYS 44 1HB LYS 44 -10.635 3.550 1.526 306 HB3 LYS 44 2HB LYS 44 -11.906 2.389 1.968 307 HG2 LYS 44 1HG LYS 44 -10.336 0.513 1.802 308 HG3 LYS 44 2HG LYS 44 -9.079 1.591 1.205 309 HD2 LYS 44 1HD LYS 44 -9.231 2.871 3.385 310 HD3 LYS 44 2HD LYS 44 -10.232 1.529 3.998 311 HE2 LYS 44 1HE LYS 44 -8.402 -0.067 3.450 312 HE3 LYS 44 2HE LYS 44 -7.447 1.257 2.767 313 HZ1 LYS 44 3HZ LYS 44 -6.671 0.887 4.952 314 HZ2 LYS 44 1HZ LYS 44 -8.169 0.929 5.624 315 HZ3 LYS 44 2HZ LYS 44 -7.486 2.286 5.020 316 H SER 45 H SER 45 -10.785 0.485 -1.671 317 HA SER 45 HA SER 45 -13.195 -1.181 -1.111 318 HG SER 45 HG SER 45 -13.013 0.604 -3.421 319 HB2 SER 45 1HB SER 45 -11.364 -0.961 -3.547 320 HB3 SER 45 2HB SER 45 -12.589 -2.219 -3.360 321 H LEU 46 H LEU 46 -12.982 -3.426 -1.044 322 HA LEU 46 HA LEU 46 -10.317 -4.563 -0.530 323 HG LEU 46 HG LEU 46 -10.407 -6.577 1.130 324 HB2 LEU 46 1HB LEU 46 -10.986 -3.956 1.650 325 HB3 LEU 46 2HB LEU 46 -12.625 -4.544 1.435 326 HD11 LEU 46 1HD1 LEU 46 -9.671 -5.281 3.107 327 HD12 LEU 46 2HD1 LEU 46 -10.206 -6.905 3.550 328 HD13 LEU 46 3HD1 LEU 46 -11.269 -5.508 3.852 329 HD21 LEU 46 3HD2 LEU 46 -12.758 -7.324 0.958 330 HD22 LEU 46 1HD2 LEU 46 -13.087 -6.669 2.574 331 HD23 LEU 46 2HD2 LEU 46 -11.963 -8.027 2.362 332 H LYS 47 H LYS 47 -10.082 -6.601 -1.186 333 HA LYS 47 HA LYS 47 -12.396 -8.137 -2.237 334 HB2 LYS 47 1HB LYS 47 -10.581 -6.766 -3.847 335 HB3 LYS 47 2HB LYS 47 -9.854 -8.352 -3.745 336 HG2 LYS 47 1HG LYS 47 -11.799 -9.443 -4.607 337 HG3 LYS 47 2HG LYS 47 -12.741 -7.934 -4.545 338 HD2 LYS 47 1HD LYS 47 -11.209 -6.910 -6.197 339 HD3 LYS 47 2HD LYS 47 -10.301 -8.421 -6.326 340 HE2 LYS 47 1HE LYS 47 -13.301 -8.248 -6.855 341 HE3 LYS 47 2HE LYS 47 -12.116 -7.874 -8.106 342 HZ1 LYS 47 3HZ LYS 47 -12.272 -10.511 -6.712 343 HZ2 LYS 47 1HZ LYS 47 -11.233 -10.109 -7.909 344 HZ3 LYS 47 2HZ LYS 47 -12.831 -10.192 -8.210 345 H GLU 48 H GLU 48 -12.162 -10.374 -2.208 346 HA GLU 48 HA GLU 48 -9.676 -11.468 -0.970 347 HB2 GLU 48 1HB GLU 48 -12.460 -12.036 0.102 348 HB3 GLU 48 2HB GLU 48 -10.974 -12.843 0.607 349 HG2 GLU 48 1HG GLU 48 -10.098 -10.673 1.455 350 HG3 GLU 48 2HG GLU 48 -11.618 -9.900 1.006 351 H GLU 49 H GLU 49 -8.971 -12.989 -2.314 352 HA GLU 49 HA GLU 49 -10.909 -14.862 -3.613 353 HB2 GLU 49 1HB GLU 49 -8.262 -13.979 -4.791 354 HB3 GLU 49 2HB GLU 49 -9.423 -15.102 -5.487 355 HG2 GLU 49 1HG GLU 49 -9.781 -12.099 -5.042 356 HG3 GLU 49 2HG GLU 49 -9.510 -12.903 -6.577 357 H ASP 50 H ASP 50 -10.726 -16.864 -2.912 358 HA ASP 50 HA ASP 50 -9.925 -18.754 -1.896 359 HB2 ASP 50 1HB ASP 50 -9.264 -18.592 -4.383 360 HB3 ASP 50 2HB ASP 50 -7.632 -18.239 -3.829 361 H GLY 51 H GLY 51 -8.758 -16.369 -0.480 362 HA2 GLY 51 1HA GLY 51 -7.640 -16.783 1.739 363 HA3 GLY 51 2HA GLY 51 -6.362 -17.636 0.868 364 H GLU 52 H GLU 52 -6.689 -15.472 -1.341 365 HA GLU 52 HA GLU 52 -4.653 -13.625 -0.360 366 HB2 GLU 52 1HB GLU 52 -4.594 -14.425 -2.690 367 HB3 GLU 52 2HB GLU 52 -6.234 -13.804 -2.953 368 HG2 GLU 52 1HG GLU 52 -5.393 -11.469 -2.619 369 HG3 GLU 52 2HG GLU 52 -3.774 -12.102 -2.491 370 H GLU 53 H GLU 53 -4.957 -11.534 0.249 371 HA GLU 53 HA GLU 53 -7.731 -10.410 0.316 372 HB2 GLU 53 1HB GLU 53 -5.482 -10.022 2.337 373 HB3 GLU 53 2HB GLU 53 -7.028 -9.162 2.327 374 HG2 GLU 53 1HG GLU 53 -8.214 -11.352 2.604 375 HG3 GLU 53 2HG GLU 53 -6.654 -12.165 2.707 376 H ILE 54 H ILE 54 -7.964 -8.494 -0.771 377 HA ILE 54 HA ILE 54 -5.481 -7.022 -1.520 378 HB ILE 54 HB ILE 54 -7.979 -7.284 -3.234 379 HG12 ILE 54 1HG1 ILE 54 -6.043 -8.485 -4.730 380 HG13 ILE 54 2HG1 ILE 54 -5.437 -8.935 -3.144 381 HG21 ILE 54 1HG2 ILE 54 -6.831 -5.232 -3.585 382 HG22 ILE 54 2HG2 ILE 54 -5.254 -6.054 -3.601 383 HG23 ILE 54 3HG2 ILE 54 -6.418 -6.283 -4.935 384 HD11 ILE 54 3HD1 ILE 54 -6.873 -10.689 -4.123 385 HD12 ILE 54 1HD1 ILE 54 -7.677 -10.038 -2.684 386 HD13 ILE 54 2HD1 ILE 54 -8.190 -9.558 -4.322 387 H VAL 55 H VAL 55 -5.524 -4.838 -1.275 388 HA VAL 55 HA VAL 55 -8.070 -3.486 -0.468 389 HB VAL 55 HB VAL 55 -5.343 -3.039 0.817 390 HG11 VAL 55 1HG1 VAL 55 -8.083 -1.883 1.474 391 HG12 VAL 55 2HG1 VAL 55 -6.572 -1.617 2.386 392 HG13 VAL 55 3HG1 VAL 55 -6.713 -1.014 0.734 393 HG21 VAL 55 3HG2 VAL 55 -7.810 -4.463 1.892 394 HG22 VAL 55 1HG2 VAL 55 -6.198 -5.167 1.622 395 HG23 VAL 55 2HG2 VAL 55 -6.424 -3.961 2.891 396 H THR 56 H THR 56 -8.466 -1.936 -1.906 397 HA THR 56 HA THR 56 -6.161 -0.423 -3.061 398 HB THR 56 HB THR 56 -7.182 -0.233 -5.178 399 HG1 THR 56 HG1 THR 56 -9.145 -2.091 -4.321 400 HG21 THR 56 3HG2 THR 56 -5.747 -2.264 -4.624 401 HG22 THR 56 1HG2 THR 56 -6.859 -2.481 -5.989 402 HG23 THR 56 2HG2 THR 56 -7.242 -3.193 -4.412 403 H TYR 57 H TYR 57 -6.244 1.773 -3.016 404 HA TYR 57 HA TYR 57 -8.800 3.172 -2.627 405 HD1 TYR 57 HD1 TYR 57 -6.459 1.179 0.264 406 HD2 TYR 57 HD2 TYR 57 -6.171 5.461 -0.122 407 HE1 TYR 57 HE1 TYR 57 -4.489 1.195 1.795 408 HE2 TYR 57 HE2 TYR 57 -4.202 5.471 1.383 409 HH TYR 57 HH TYR 57 -2.837 4.234 2.725 410 HB2 TYR 57 1HB TYR 57 -8.333 4.210 -0.557 411 HB3 TYR 57 2HB TYR 57 -8.353 2.495 -0.426 412 H ASP 58 H ASP 58 -8.011 5.632 -1.848 413 HA ASP 58 HA ASP 58 -5.896 6.563 -3.737 414 HB2 ASP 58 1HB ASP 58 -8.685 7.758 -3.365 415 HB3 ASP 58 2HB ASP 58 -7.438 8.366 -4.433 416 H HIS 59 H HIS 59 -5.176 8.687 -3.186 417 HA HIS 59 HA HIS 59 -5.784 9.692 -0.417 418 HD1 HIS 59 HD1 HIS 59 -2.877 8.980 1.467 419 HD2 HIS 59 HD2 HIS 59 -2.606 7.678 -2.531 420 HE1 HIS 59 HE1 HIS 59 -1.470 6.880 1.482 421 HB2 HIS 59 1HB HIS 59 -3.320 10.277 -2.077 422 HB3 HIS 59 2HB HIS 59 -3.628 10.743 -0.416 423 H LEU 60 H LEU 60 -6.518 11.800 -0.320 424 HA LEU 60 HA LEU 60 -6.919 13.306 -2.872 425 HG LEU 60 HG LEU 60 -8.894 12.158 -3.726 426 HB2 LEU 60 1HB LEU 60 -8.991 12.677 -0.724 427 HB3 LEU 60 2HB LEU 60 -9.141 13.977 -1.893 428 HD11 LEU 60 1HD1 LEU 60 -9.855 10.440 -1.381 429 HD12 LEU 60 2HD1 LEU 60 -8.338 10.197 -2.258 430 HD13 LEU 60 3HD1 LEU 60 -9.854 9.944 -3.103 431 HD21 LEU 60 3HD2 LEU 60 -11.326 11.780 -3.645 432 HD22 LEU 60 1HD2 LEU 60 -10.928 13.454 -3.241 433 HD23 LEU 60 2HD2 LEU 60 -11.361 12.324 -1.947 434 H CYS 61 H CYS 61 -6.441 15.414 -2.750 435 HA CYS 61 HA CYS 61 -5.168 16.601 -0.508 436 HB2 CYS 61 1HB CYS 61 -5.032 17.100 -3.015 437 HB3 CYS 61 2HB CYS 61 -6.580 17.925 -2.874 438 H LYS 62 H LYS 62 -5.965 17.491 1.325 439 HA LYS 62 HA LYS 62 -8.803 17.560 1.894 440 HB2 LYS 62 1HB LYS 62 -7.264 17.220 3.691 441 HB3 LYS 62 2HB LYS 62 -6.350 18.653 3.295 442 HG2 LYS 62 1HG LYS 62 -7.534 19.012 5.339 443 HG3 LYS 62 2HG LYS 62 -8.107 20.114 4.103 444 HD2 LYS 62 1HD LYS 62 -10.064 18.432 3.740 445 HD3 LYS 62 2HD LYS 62 -9.468 17.623 5.188 446 HE2 LYS 62 1HE LYS 62 -11.258 19.062 5.853 447 HE3 LYS 62 2HE LYS 62 -9.754 19.742 6.480 448 HZ1 LYS 62 3HZ LYS 62 -11.213 21.425 5.440 449 HZ2 LYS 62 1HZ LYS 62 -11.109 20.668 3.995 450 HZ3 LYS 62 2HZ LYS 62 -9.783 21.344 4.657 451 H ASN 63 H ASN 63 -6.921 19.734 0.040 452 HA ASN 63 HA ASN 63 -8.599 22.099 0.654 453 HB2 ASN 63 1HB ASN 63 -6.225 22.452 0.652 454 HB3 ASN 63 2HB ASN 63 -6.054 21.776 -0.960 455 HD21 ASN 63 1HD2 ASN 63 -5.819 23.343 -2.495 456 HD22 ASN 63 2HD2 ASN 63 -6.633 24.913 -2.420 457 H CYS 64 H CYS 64 -7.328 20.611 -2.423 458 HA CYS 64 HA CYS 64 -9.750 21.530 -3.800 459 HB2 CYS 64 1HB CYS 64 -8.434 21.029 -5.829 460 HB3 CYS 64 2HB CYS 64 -7.685 22.211 -4.762 461 H HIS 65 H HIS 65 -8.914 18.644 -2.293 462 HA HIS 65 HA HIS 65 -9.474 16.458 -2.479 463 HD1 HIS 65 HD1 HIS 65 -12.427 19.288 -1.319 464 HD2 HIS 65 HD2 HIS 65 -10.924 15.466 -0.293 465 HE1 HIS 65 HE1 HIS 65 -12.431 19.170 1.254 466 HE2 HIS 65 HE2 HIS 65 -11.568 16.820 1.866 467 HB2 HIS 65 1HB HIS 65 -12.106 17.617 -3.370 468 HB3 HIS 65 2HB HIS 65 -11.846 15.937 -2.910 469 H HIS 66 H HIS 66 -8.158 17.597 -4.801 470 HA HIS 66 HA HIS 66 -8.720 15.900 -7.095 471 HD1 HIS 66 HD1 HIS 66 -5.822 15.709 -9.170 472 HD2 HIS 66 HD2 HIS 66 -4.486 17.230 -5.471 473 HE1 HIS 66 HE1 HIS 66 -3.304 15.696 -9.252 474 HB2 HIS 66 1HB HIS 66 -7.385 17.551 -7.797 475 HB3 HIS 66 2HB HIS 66 -6.788 17.884 -6.182 476 H VAL 67 H VAL 67 -7.696 13.824 -7.505 477 HA VAL 67 HA VAL 67 -6.832 12.352 -5.139 478 HB VAL 67 HB VAL 67 -6.971 11.506 -8.060 479 HG11 VAL 67 1HG1 VAL 67 -6.821 9.192 -6.971 480 HG12 VAL 67 2HG1 VAL 67 -5.313 10.114 -7.016 481 HG13 VAL 67 3HG1 VAL 67 -6.254 10.002 -5.513 482 HG21 VAL 67 3HG2 VAL 67 -8.926 10.210 -7.325 483 HG22 VAL 67 1HG2 VAL 67 -8.739 10.812 -5.667 484 HG23 VAL 67 2HG2 VAL 67 -9.191 11.922 -6.981 485 H ILE 68 H ILE 68 -5.001 12.819 -4.293 486 HA ILE 68 HA ILE 68 -2.658 13.908 -5.520 487 HB ILE 68 HB ILE 68 -3.286 12.547 -2.899 488 HG12 ILE 68 1HG1 ILE 68 -2.475 15.378 -3.698 489 HG13 ILE 68 2HG1 ILE 68 -4.130 14.847 -3.445 490 HG21 ILE 68 1HG2 ILE 68 -0.926 11.931 -3.343 491 HG22 ILE 68 2HG2 ILE 68 -0.552 13.634 -3.675 492 HG23 ILE 68 3HG2 ILE 68 -1.033 13.104 -2.054 493 HD11 ILE 68 3HD1 ILE 68 -1.971 14.913 -1.306 494 HD12 ILE 68 1HD1 ILE 68 -3.282 16.064 -1.533 495 HD13 ILE 68 2HD1 ILE 68 -3.662 14.378 -1.088 496 H ALA 69 H ALA 69 -3.595 10.574 -4.667 497 HA ALA 69 HA ALA 69 -1.862 9.351 -6.663 498 HB1 ALA 69 3HB ALA 69 -0.183 9.865 -4.965 499 HB2 ALA 69 1HB ALA 69 -1.222 9.265 -3.667 500 HB3 ALA 69 2HB ALA 69 -0.531 8.125 -4.834 501 H ARG 70 H ARG 70 -2.037 6.969 -6.621 502 HA ARG 70 HA ARG 70 -4.513 5.901 -5.301 503 HE ARG 70 HE ARG 70 -7.421 7.146 -7.930 504 HB2 ARG 70 1HB ARG 70 -3.231 5.267 -7.985 505 HB3 ARG 70 2HB ARG 70 -4.096 4.035 -7.068 506 HG2 ARG 70 1HG ARG 70 -5.692 4.814 -8.531 507 HG3 ARG 70 2HG ARG 70 -6.087 5.507 -6.960 508 HD2 ARG 70 1HD ARG 70 -4.943 7.649 -7.748 509 HD3 ARG 70 2HD ARG 70 -4.791 6.892 -9.347 510 HH11 ARG 70 1HH1 ARG 70 -5.603 8.015 -10.816 511 HH12 ARG 70 2HH1 ARG 70 -7.016 8.664 -11.602 512 HH21 ARG 70 1HH2 ARG 70 -9.130 7.921 -8.979 513 HH22 ARG 70 2HH2 ARG 70 -8.988 8.615 -10.574 514 H HIS 71 H HIS 71 -4.347 4.072 -4.173 515 HA HIS 71 HA HIS 71 -1.629 2.941 -3.581 516 HD2 HIS 71 HD2 HIS 71 -2.627 0.535 -0.932 517 HE1 HIS 71 HE1 HIS 71 0.440 2.659 1.131 518 HE2 HIS 71 HE2 HIS 71 -0.759 0.414 0.913 519 HB2 HIS 71 1HB HIS 71 -2.845 4.417 -1.842 520 HB3 HIS 71 2HB HIS 71 -3.996 3.108 -1.684 521 H GLU 72 H GLU 72 -1.444 0.756 -3.622 522 HA GLU 72 HA GLU 72 -3.854 -0.969 -3.447 523 HB2 GLU 72 1HB GLU 72 -3.552 -0.846 -5.795 524 HB3 GLU 72 2HB GLU 72 -1.791 -0.958 -5.682 525 HG2 GLU 72 1HG GLU 72 -1.860 -3.238 -4.999 526 HG3 GLU 72 2HG GLU 72 -3.618 -3.203 -4.758 527 H TYR 73 H TYR 73 -3.546 -2.531 -2.018 528 HA TYR 73 HA TYR 73 -0.805 -3.546 -1.437 529 HD1 TYR 73 HD1 TYR 73 0.301 -4.598 0.857 530 HD2 TYR 73 HD2 TYR 73 -3.854 -4.141 1.916 531 HE1 TYR 73 HE1 TYR 73 0.518 -6.453 2.459 532 HE2 TYR 73 HE2 TYR 73 -3.622 -5.975 3.569 533 HH TYR 73 HH TYR 73 -0.530 -7.635 4.186 534 HB2 TYR 73 1HB TYR 73 -1.219 -2.303 0.493 535 HB3 TYR 73 2HB TYR 73 -2.941 -2.612 0.463 536 H THR 74 H THR 74 -0.734 -5.691 -1.813 537 HA THR 74 HA THR 74 -3.303 -7.258 -1.696 538 HB THR 74 HB THR 74 -3.061 -8.274 -3.671 539 HG1 THR 74 HG1 THR 74 -0.301 -7.608 -3.742 540 HG21 THR 74 3HG2 THR 74 -3.249 -5.734 -4.136 541 HG22 THR 74 1HG2 THR 74 -2.682 -6.752 -5.466 542 HG23 THR 74 2HG2 THR 74 -1.530 -5.785 -4.522 543 H PHE 75 H PHE 75 -3.170 -9.105 -0.620 544 HA PHE 75 HA PHE 75 -0.469 -10.097 0.259 545 HD1 PHE 75 HD1 PHE 75 0.437 -10.757 2.780 546 HD2 PHE 75 HD2 PHE 75 -3.786 -11.633 2.737 547 HE1 PHE 75 HE1 PHE 75 0.846 -12.731 4.138 548 HE2 PHE 75 HE2 PHE 75 -3.362 -13.691 4.047 549 HZ PHE 75 HZ PHE 75 -1.026 -14.287 4.703 550 HB2 PHE 75 1HB PHE 75 -1.280 -9.021 2.124 551 HB3 PHE 75 2HB PHE 75 -2.935 -9.498 1.887 552 H SER 76 H SER 76 -0.175 -12.256 -0.186 553 HA SER 76 HA SER 76 -2.507 -14.046 -0.816 554 HG SER 76 HG SER 76 -1.493 -13.807 -4.096 555 HB2 SER 76 1HB SER 76 -0.043 -13.416 -2.389 556 HB3 SER 76 2HB SER 76 -0.607 -15.084 -2.412 557 H ILE 77 H ILE 77 -2.390 -16.165 -0.165 558 HA ILE 77 HA ILE 77 0.078 -16.997 1.364 559 HB ILE 77 HB ILE 77 -2.740 -18.027 1.766 560 HG12 ILE 77 1HG1 ILE 77 -1.096 -15.921 3.126 561 HG13 ILE 77 2HG1 ILE 77 -2.791 -15.886 2.601 562 HG21 ILE 77 1HG2 ILE 77 -0.911 -19.719 2.145 563 HG22 ILE 77 2HG2 ILE 77 -0.172 -18.598 3.312 564 HG23 ILE 77 3HG2 ILE 77 -1.775 -19.300 3.619 565 HD11 ILE 77 3HD1 ILE 77 -2.748 -15.902 4.994 566 HD12 ILE 77 1HD1 ILE 77 -3.315 -17.502 4.474 567 HD13 ILE 77 2HD1 ILE 77 -1.630 -17.272 5.039 568 H MET 78 H MET 78 1.314 -18.471 0.456 569 HA MET 78 HA MET 78 0.116 -20.391 -1.475 570 HB2 MET 78 1HB MET 78 2.336 -20.397 -2.652 571 HB3 MET 78 2HB MET 78 1.338 -18.961 -2.869 572 HG2 MET 78 1HG MET 78 2.730 -17.612 -1.542 573 HG3 MET 78 2HG MET 78 3.505 -18.983 -0.759 574 HE1 MET 78 3HE MET 78 4.431 -18.086 -5.216 575 HE2 MET 78 1HE MET 78 3.149 -19.205 -4.716 576 HE3 MET 78 2HE MET 78 2.986 -17.464 -4.384 577 H ASP 79 H ASP 79 0.105 -22.348 -0.781 578 HA ASP 79 HA ASP 79 0.514 -24.303 0.262 579 HB2 ASP 79 1HB ASP 79 3.324 -23.568 -0.598 580 HB3 ASP 79 2HB ASP 79 2.839 -25.173 -0.058 581 H GLU 80 H GLU 80 3.463 -22.618 1.363 582 HA GLU 80 HA GLU 80 2.804 -23.175 4.222 583 HB2 GLU 80 1HB GLU 80 5.612 -23.482 3.146 584 HB3 GLU 80 2HB GLU 80 4.968 -23.982 4.706 585 HG2 GLU 80 1HG GLU 80 3.568 -25.701 3.414 586 HG3 GLU 80 2HG GLU 80 4.515 -25.242 1.983 587 H PHE 81 H PHE 81 3.332 -20.768 2.023 588 HA PHE 81 HA PHE 81 4.834 -19.101 4.042 589 HD1 PHE 81 HD1 PHE 81 6.956 -20.896 3.373 590 HD2 PHE 81 HD2 PHE 81 5.710 -19.721 -0.561 591 HE1 PHE 81 HE1 PHE 81 8.201 -22.820 2.405 592 HE2 PHE 81 HE2 PHE 81 6.881 -21.655 -1.541 593 HZ PHE 81 HZ PHE 81 8.164 -23.216 -0.052 594 HB2 PHE 81 1HB PHE 81 5.120 -18.375 1.149 595 HB3 PHE 81 2HB PHE 81 6.242 -18.276 2.444 596 H GLN 82 H GLN 82 4.596 -16.785 3.521 597 HA GLN 82 HA GLN 82 1.898 -16.032 2.446 598 HB2 GLN 82 1HB GLN 82 3.200 -14.349 4.522 599 HB3 GLN 82 2HB GLN 82 1.492 -14.623 4.129 600 HG2 GLN 82 1HG GLN 82 1.654 -16.861 5.208 601 HG3 GLN 82 2HG GLN 82 3.263 -16.345 5.807 602 HE21 GLN 82 1HE2 GLN 82 3.304 -14.282 7.124 603 HE22 GLN 82 2HE2 GLN 82 1.889 -13.931 8.099 604 H GLU 83 H GLU 83 1.819 -14.225 1.217 605 HA GLU 83 HA GLU 83 4.383 -12.920 0.395 606 HB2 GLU 83 1HB GLU 83 2.018 -13.942 -1.219 607 HB3 GLU 83 2HB GLU 83 2.910 -12.544 -1.786 608 HG2 GLU 83 1HG GLU 83 4.994 -13.811 -1.779 609 HG3 GLU 83 2HG GLU 83 4.109 -15.282 -1.303 610 H TYR 84 H TYR 84 4.406 -10.822 0.554 611 HA TYR 84 HA TYR 84 1.865 -9.252 0.919 612 HD1 TYR 84 HD1 TYR 84 4.451 -11.087 3.322 613 HD2 TYR 84 HD2 TYR 84 1.389 -8.070 3.627 614 HE1 TYR 84 HE1 TYR 84 3.490 -12.274 5.301 615 HE2 TYR 84 HE2 TYR 84 0.498 -9.178 5.674 616 HH TYR 84 HH TYR 84 0.721 -10.917 7.144 617 HB2 TYR 84 1HB TYR 84 4.641 -8.867 2.101 618 HB3 TYR 84 2HB TYR 84 3.339 -7.701 2.200 619 H THR 85 H THR 85 1.588 -7.674 -0.630 620 HA THR 85 HA THR 85 4.003 -6.488 -1.859 621 HB THR 85 HB THR 85 3.507 -6.832 -4.031 622 HG1 THR 85 HG1 THR 85 1.478 -7.317 -4.837 623 HG21 THR 85 3HG2 THR 85 2.866 -9.140 -4.523 624 HG22 THR 85 1HG2 THR 85 2.129 -9.329 -2.918 625 HG23 THR 85 2HG2 THR 85 3.884 -9.132 -3.082 626 H MET 86 H MET 86 3.808 -4.397 -2.352 627 HA MET 86 HA MET 86 1.200 -2.969 -2.106 628 HB2 MET 86 1HB MET 86 2.168 -2.804 0.047 629 HB3 MET 86 2HB MET 86 3.761 -2.348 -0.598 630 HG2 MET 86 1HG MET 86 2.698 -0.260 -1.488 631 HG3 MET 86 2HG MET 86 1.175 -0.763 -0.745 632 HE1 MET 86 3HE MET 86 4.474 1.291 -0.253 633 HE2 MET 86 1HE MET 86 4.983 0.774 1.371 634 HE3 MET 86 2HE MET 86 4.988 -0.381 0.023 635 H LEU 87 H LEU 87 1.012 -1.273 -3.334 636 HA LEU 87 HA LEU 87 3.211 -0.167 -5.008 637 HG LEU 87 HG LEU 87 2.081 0.541 -7.345 638 HB2 LEU 87 1HB LEU 87 2.214 -2.215 -6.190 639 HB3 LEU 87 2HB LEU 87 0.685 -1.365 -6.203 640 HD11 LEU 87 1HD1 LEU 87 4.223 -0.670 -7.067 641 HD12 LEU 87 2HD1 LEU 87 3.874 -0.283 -8.764 642 HD13 LEU 87 3HD1 LEU 87 3.633 -1.941 -8.148 643 HD21 LEU 87 3HD2 LEU 87 1.519 -0.368 -9.564 644 HD22 LEU 87 1HD2 LEU 87 0.193 -0.611 -8.414 645 HD23 LEU 87 2HD2 LEU 87 1.250 -1.974 -8.841 646 H CYS 88 H CYS 88 2.932 1.883 -4.328 647 HA CYS 88 HA CYS 88 0.413 3.319 -4.898 648 HB2 CYS 88 1HB CYS 88 0.368 2.839 -2.492 649 HB3 CYS 88 2HB CYS 88 2.007 3.403 -2.319 650 H LEU 89 H LEU 89 0.794 5.273 -5.812 651 HA LEU 89 HA LEU 89 3.367 6.023 -6.842 652 HG LEU 89 HG LEU 89 2.434 9.208 -6.745 653 HB2 LEU 89 1HB LEU 89 1.360 6.653 -8.005 654 HB3 LEU 89 2HB LEU 89 0.697 7.443 -6.582 655 HD11 LEU 89 1HD1 LEU 89 3.121 7.990 -9.437 656 HD12 LEU 89 2HD1 LEU 89 4.153 7.894 -7.998 657 HD13 LEU 89 3HD1 LEU 89 3.767 9.479 -8.709 658 HD21 LEU 89 3HD2 LEU 89 0.834 8.790 -9.296 659 HD22 LEU 89 1HD2 LEU 89 1.596 10.307 -8.793 660 HD23 LEU 89 2HD2 LEU 89 0.275 9.625 -7.822 661 H LEU 90 H LEU 90 1.687 6.900 -3.863 662 HA LEU 90 HA LEU 90 3.749 8.932 -3.135 663 HG LEU 90 HG LEU 90 2.497 8.648 -0.073 664 HB2 LEU 90 1HB LEU 90 1.453 9.609 -2.794 665 HB3 LEU 90 2HB LEU 90 1.047 8.097 -2.012 666 HD11 LEU 90 1HD1 LEU 90 2.905 11.353 -1.381 667 HD12 LEU 90 2HD1 LEU 90 4.143 10.074 -1.299 668 HD13 LEU 90 3HD1 LEU 90 3.511 10.773 0.179 669 HD21 LEU 90 3HD2 LEU 90 0.128 9.298 -0.070 670 HD22 LEU 90 1HD2 LEU 90 0.556 10.887 -0.741 671 HD23 LEU 90 2HD2 LEU 90 1.147 10.395 0.872 672 H CYS 91 H CYS 91 2.023 6.221 -1.485 673 HA CYS 91 HA CYS 91 3.892 6.117 0.562 674 HB2 CYS 91 1HB CYS 91 1.846 4.086 -0.351 675 HB3 CYS 91 2HB CYS 91 2.657 4.012 1.206 676 H GLY 92 H GLY 92 3.765 4.195 -2.401 677 HA2 GLY 92 1HA GLY 92 6.127 3.803 -3.201 678 HA3 GLY 92 2HA GLY 92 6.434 3.059 -1.653 679 H LYS 93 H LYS 93 7.234 1.727 -3.646 680 HA LYS 93 HA LYS 93 5.297 -0.501 -4.035 681 HB2 LYS 93 1HB LYS 93 5.869 0.384 -6.154 682 HB3 LYS 93 2HB LYS 93 7.560 0.470 -5.766 683 HG2 LYS 93 1HG LYS 93 7.662 -2.053 -5.635 684 HG3 LYS 93 2HG LYS 93 5.949 -2.106 -6.080 685 HD2 LYS 93 1HD LYS 93 6.502 -0.948 -8.237 686 HD3 LYS 93 2HD LYS 93 8.215 -0.942 -7.769 687 HE2 LYS 93 1HE LYS 93 8.182 -3.428 -7.641 688 HE3 LYS 93 2HE LYS 93 6.478 -3.431 -8.114 689 HZ1 LYS 93 3HZ LYS 93 7.929 -3.824 -10.023 690 HZ2 LYS 93 1HZ LYS 93 8.711 -2.411 -9.795 691 HZ3 LYS 93 2HZ LYS 93 7.136 -2.414 -10.235 692 H ALA 94 H ALA 94 5.622 -2.235 -2.913 693 HA ALA 94 HA ALA 94 8.346 -3.073 -2.191 694 HB1 ALA 94 3HB ALA 94 7.631 -1.609 -0.330 695 HB2 ALA 94 1HB ALA 94 6.112 -2.523 -0.184 696 HB3 ALA 94 2HB ALA 94 7.647 -3.297 0.217 697 H GLU 95 H GLU 95 8.533 -5.264 -1.395 698 HA GLU 95 HA GLU 95 6.184 -6.987 -1.411 699 HB2 GLU 95 1HB GLU 95 6.730 -6.971 -3.795 700 HB3 GLU 95 2HB GLU 95 8.426 -7.321 -3.439 701 HG2 GLU 95 1HG GLU 95 7.830 -9.554 -2.605 702 HG3 GLU 95 2HG GLU 95 6.119 -9.210 -2.842 703 H ASP 96 H ASP 96 6.420 -8.711 -0.071 704 HA ASP 96 HA ASP 96 9.076 -9.561 0.861 705 HB2 ASP 96 1HB ASP 96 7.878 -7.748 2.431 706 HB3 ASP 96 2HB ASP 96 6.875 -9.096 2.896 707 H THR 97 H THR 97 9.079 -11.715 1.779 708 HA THR 97 HA THR 97 6.507 -13.167 1.691 709 HB THR 97 HB THR 97 8.927 -14.592 0.641 710 HG1 THR 97 HG1 THR 97 8.302 -14.085 -1.447 711 HG21 THR 97 3HG2 THR 97 7.202 -15.953 -0.495 712 HG22 THR 97 1HG2 THR 97 5.945 -14.850 0.118 713 HG23 THR 97 2HG2 THR 97 6.857 -15.862 1.245 714 H ILE 98 H ILE 98 6.189 -14.537 3.361 715 HA ILE 98 HA ILE 98 8.460 -15.014 5.274 716 HB ILE 98 HB ILE 98 5.567 -14.810 6.092 717 HG12 ILE 98 1HG1 ILE 98 7.532 -12.496 5.901 718 HG13 ILE 98 2HG1 ILE 98 5.978 -12.661 5.060 719 HG21 ILE 98 1HG2 ILE 98 7.250 -15.881 7.603 720 HG22 ILE 98 2HG2 ILE 98 8.132 -14.336 7.640 721 HG23 ILE 98 3HG2 ILE 98 6.484 -14.470 8.308 722 HD11 ILE 98 3HD1 ILE 98 6.401 -12.159 8.027 723 HD12 ILE 98 1HD1 ILE 98 5.666 -11.089 6.828 724 HD13 ILE 98 2HD1 ILE 98 4.827 -12.578 7.308 725 H SER 99 H SER 99 8.851 -17.136 5.691 726 HA SER 99 HA SER 99 6.938 -19.189 4.762 727 HG SER 99 HG SER 99 10.749 -19.890 5.968 728 HB2 SER 99 1HB SER 99 8.658 -20.801 5.522 729 HB3 SER 99 2HB SER 99 9.199 -19.659 4.283 730 H ILE 100 H ILE 100 5.617 -20.401 6.038 731 HA ILE 100 HA ILE 100 5.707 -20.011 8.977 732 HB ILE 100 HB ILE 100 3.246 -19.683 9.033 733 HG12 ILE 100 1HG1 ILE 100 2.162 -18.625 7.041 734 HG13 ILE 100 2HG1 ILE 100 3.475 -19.204 6.028 735 HG21 ILE 100 1HG2 ILE 100 3.341 -17.317 8.612 736 HG22 ILE 100 2HG2 ILE 100 4.896 -17.845 9.277 737 HG23 ILE 100 3HG2 ILE 100 4.743 -17.503 7.542 738 HD11 ILE 100 3HD1 ILE 100 2.797 -21.550 6.536 739 HD12 ILE 100 1HD1 ILE 100 1.547 -20.941 7.645 740 HD13 ILE 100 2HD1 ILE 100 1.441 -20.606 5.904 741 H LEU 101 H LEU 101 3.844 -21.410 9.994 742 HA LEU 101 HA LEU 101 3.838 -24.181 8.921 743 HG LEU 101 HG LEU 101 6.615 -23.354 9.877 744 HB2 LEU 101 1HB LEU 101 4.806 -23.054 11.581 745 HB3 LEU 101 2HB LEU 101 4.392 -24.751 11.430 746 HD11 LEU 101 1HD1 LEU 101 8.110 -24.649 11.330 747 HD12 LEU 101 2HD1 LEU 101 6.713 -25.310 12.209 748 HD13 LEU 101 3HD1 LEU 101 7.081 -23.573 12.287 749 HD21 LEU 101 3HD2 LEU 101 5.739 -25.268 8.597 750 HD22 LEU 101 1HD2 LEU 101 5.832 -26.304 10.042 751 HD23 LEU 101 2HD2 LEU 101 7.311 -25.670 9.287 752 HA PRO 102 HA PRO 102 -0.353 -24.212 10.413 753 HB2 PRO 102 1HB PRO 102 -0.681 -26.671 11.633 754 HB3 PRO 102 2HB PRO 102 -0.588 -26.414 9.864 755 HG2 PRO 102 1HG PRO 102 1.650 -27.216 11.746 756 HG3 PRO 102 2HG PRO 102 1.198 -27.964 10.179 757 HD2 PRO 102 1HD PRO 102 3.214 -26.189 10.326 758 HD3 PRO 102 2HD PRO 102 2.078 -26.132 8.953 759 H ASP 103 H ASP 103 2.226 -24.519 12.702 760 HA ASP 103 HA ASP 103 0.698 -24.166 15.147 761 HB2 ASP 103 1HB ASP 103 2.969 -25.251 14.905 762 HB3 ASP 103 2HB ASP 103 3.643 -23.661 14.553 763 H ASP 104 H ASP 104 1.186 -22.069 12.600 764 HA ASP 104 HA ASP 104 1.157 -19.875 12.206 765 HB2 ASP 104 1HB ASP 104 -1.088 -20.270 13.047 766 HB3 ASP 104 2HB ASP 104 -0.581 -19.836 14.678 767 HA PRO 105 HA PRO 105 4.490 -18.613 15.265 768 HB2 PRO 105 1HB PRO 105 6.684 -18.754 13.644 769 HB3 PRO 105 2HB PRO 105 6.040 -20.172 14.526 770 HG2 PRO 105 1HG PRO 105 5.529 -19.394 11.635 771 HG3 PRO 105 2HG PRO 105 6.021 -20.992 12.282 772 HD2 PRO 105 1HD PRO 105 3.408 -20.391 11.740 773 HD3 PRO 105 2HD PRO 105 3.868 -21.416 13.133 774 H ARG 106 H ARG 106 3.599 -17.796 12.005 775 HA ARG 106 HA ARG 106 3.711 -15.967 10.667 776 HE ARG 106 HE ARG 106 -0.309 -15.653 12.186 777 HB2 ARG 106 1HB ARG 106 1.872 -15.834 12.657 778 HB3 ARG 106 2HB ARG 106 2.687 -14.304 12.944 779 HG2 ARG 106 1HG ARG 106 2.346 -13.755 10.493 780 HG3 ARG 106 2HG ARG 106 1.459 -15.278 10.312 781 HD2 ARG 106 1HD ARG 106 0.690 -12.977 12.154 782 HD3 ARG 106 2HD ARG 106 -0.011 -13.301 10.561 783 HH11 ARG 106 1HH1 ARG 106 -1.692 -12.439 11.818 784 HH12 ARG 106 2HH1 ARG 106 -3.190 -12.905 12.574 785 HH21 ARG 106 1HH2 ARG 106 -2.168 -16.112 13.287 786 HH22 ARG 106 2HH2 ARG 106 -3.470 -14.942 13.344 787 H GLN 107 H GLN 107 6.300 -16.281 11.721 788 HA GLN 107 HA GLN 107 7.597 -14.111 12.791 789 HB2 GLN 107 1HB GLN 107 9.627 -14.989 11.871 790 HB3 GLN 107 2HB GLN 107 8.586 -16.325 12.351 791 HG2 GLN 107 1HG GLN 107 7.903 -16.610 9.939 792 HG3 GLN 107 2HG GLN 107 9.038 -15.338 9.494 793 HE21 GLN 107 1HE2 GLN 107 8.979 -18.305 8.794 794 HE22 GLN 107 2HE2 GLN 107 10.585 -18.852 9.261 Start of MODEL 15 1 HA CYS 2 HA CYS 2 -1.266 14.981 -10.657 2 H1 CYS 2 1H CYS 2 -1.128 15.690 -7.897 3 HB2 CYS 2 1HB CYS 2 -0.100 17.390 -10.697 4 HB3 CYS 2 2HB CYS 2 -1.802 17.147 -10.427 5 H GLY 3 H GLY 3 0.728 13.699 -8.682 6 HA2 GLY 3 1HA GLY 3 2.686 12.497 -8.925 7 HA3 GLY 3 2HA GLY 3 2.884 13.085 -10.568 8 H ASP 4 H ASP 4 2.741 15.949 -9.772 9 HA ASP 4 HA ASP 4 5.466 16.435 -8.836 10 HB2 ASP 4 1HB ASP 4 3.047 18.191 -9.359 11 HB3 ASP 4 2HB ASP 4 4.519 18.830 -8.623 12 H CYS 5 H CYS 5 2.433 15.751 -7.293 13 HA CYS 5 HA CYS 5 2.748 16.920 -4.764 14 HB2 CYS 5 1HB CYS 5 1.421 14.269 -5.530 15 HB3 CYS 5 2HB CYS 5 1.250 15.071 -4.009 16 H VAL 6 H VAL 6 4.320 14.089 -6.184 17 HA VAL 6 HA VAL 6 5.331 13.174 -3.516 18 HB VAL 6 HB VAL 6 5.630 11.030 -4.376 19 HG11 VAL 6 1HG1 VAL 6 3.316 10.355 -4.777 20 HG12 VAL 6 2HG1 VAL 6 3.395 11.604 -3.528 21 HG13 VAL 6 3HG1 VAL 6 2.861 12.012 -5.170 22 HG21 VAL 6 3HG2 VAL 6 4.445 11.830 -7.054 23 HG22 VAL 6 1HG2 VAL 6 6.169 11.478 -6.788 24 HG23 VAL 6 2HG2 VAL 6 4.962 10.221 -6.539 25 H GLU 7 H GLU 7 7.518 13.012 -3.126 26 HA GLU 7 HA GLU 7 9.422 14.454 -4.718 27 HB2 GLU 7 1HB GLU 7 9.675 14.245 -2.304 28 HB3 GLU 7 2HB GLU 7 9.738 12.506 -2.391 29 HG2 GLU 7 1HG GLU 7 11.848 12.698 -3.716 30 HG3 GLU 7 2HG GLU 7 11.796 14.448 -3.457 31 H LYS 8 H LYS 8 8.686 10.994 -4.366 32 HA LYS 8 HA LYS 8 10.126 10.341 -6.905 33 HB2 LYS 8 1HB LYS 8 10.041 8.663 -4.359 34 HB3 LYS 8 2HB LYS 8 10.823 8.215 -5.876 35 HG2 LYS 8 1HG LYS 8 12.375 10.216 -5.542 36 HG3 LYS 8 2HG LYS 8 11.647 10.414 -3.932 37 HD2 LYS 8 1HD LYS 8 12.329 8.053 -3.377 38 HD3 LYS 8 2HD LYS 8 13.102 7.950 -4.962 39 HE2 LYS 8 1HE LYS 8 14.883 8.445 -3.557 40 HE3 LYS 8 2HE LYS 8 14.492 10.007 -4.279 41 HZ1 LYS 8 3HZ LYS 8 13.332 10.605 -2.194 42 HZ2 LYS 8 1HZ LYS 8 14.843 10.126 -1.856 43 HZ3 LYS 8 2HZ LYS 8 13.601 9.111 -1.579 44 H GLU 9 H GLU 9 9.022 8.905 -8.206 45 HA GLU 9 HA GLU 9 6.191 8.311 -7.586 46 HB2 GLU 9 1HB GLU 9 8.021 7.894 -9.982 47 HB3 GLU 9 2HB GLU 9 6.433 7.129 -9.907 48 HG2 GLU 9 1HG GLU 9 5.263 9.031 -10.161 49 HG3 GLU 9 2HG GLU 9 6.458 10.066 -9.379 50 H TYR 10 H TYR 10 5.579 6.482 -6.561 51 HA TYR 10 HA TYR 10 5.714 4.476 -5.479 52 HD1 TYR 10 HD1 TYR 10 5.284 5.434 -9.199 53 HD2 TYR 10 HD2 TYR 10 3.715 2.064 -6.973 54 HE1 TYR 10 HE1 TYR 10 3.082 5.821 -10.191 55 HE2 TYR 10 HE2 TYR 10 1.462 2.507 -7.945 56 HH TYR 10 HH TYR 10 0.885 5.111 -10.336 57 HB2 TYR 10 1HB TYR 10 6.784 3.488 -8.127 58 HB3 TYR 10 2HB TYR 10 6.021 2.541 -6.881 59 HA PRO 11 HA PRO 11 10.296 4.845 -4.546 60 HB2 PRO 11 1HB PRO 11 10.008 5.500 -1.884 61 HB3 PRO 11 2HB PRO 11 9.974 6.720 -3.207 62 HG2 PRO 11 1HG PRO 11 7.605 5.379 -1.870 63 HG3 PRO 11 2HG PRO 11 7.914 7.127 -2.088 64 HD2 PRO 11 1HD PRO 11 6.374 5.816 -3.849 65 HD3 PRO 11 2HD PRO 11 7.595 6.944 -4.471 66 H ASN 12 H ASN 12 11.506 3.103 -3.550 67 HA ASN 12 HA ASN 12 9.869 0.830 -2.652 68 HB2 ASN 12 1HB ASN 12 12.902 1.191 -2.808 69 HB3 ASN 12 2HB ASN 12 12.065 -0.316 -2.435 70 HD21 ASN 12 1HD2 ASN 12 10.093 -0.628 -4.286 71 HD22 ASN 12 2HD2 ASN 12 10.802 -0.577 -5.897 72 H ARG 13 H ARG 13 9.759 -0.015 -0.577 73 HA ARG 13 HA ARG 13 10.686 1.793 1.633 74 HE ARG 13 HE ARG 13 8.417 4.136 3.113 75 HB2 ARG 13 1HB ARG 13 8.103 0.202 1.535 76 HB3 ARG 13 2HB ARG 13 8.628 1.308 2.800 77 HG2 ARG 13 1HG ARG 13 7.711 1.996 0.016 78 HG3 ARG 13 2HG ARG 13 6.957 2.381 1.557 79 HD2 ARG 13 1HD ARG 13 9.415 3.643 0.324 80 HD3 ARG 13 2HD ARG 13 7.900 4.399 0.725 81 HH11 ARG 13 1HH1 ARG 13 11.224 3.922 0.970 82 HH12 ARG 13 2HH1 ARG 13 12.284 4.530 2.211 83 HH21 ARG 13 1HH2 ARG 13 9.880 4.739 4.646 84 HH22 ARG 13 2HH2 ARG 13 11.559 4.918 4.234 85 H GLY 14 H GLY 14 12.166 -0.459 0.681 86 HA2 GLY 14 1HA GLY 14 13.385 -2.238 1.553 87 HA3 GLY 14 2HA GLY 14 13.074 -1.521 3.142 88 H ASN 15 H ASN 15 10.736 -2.801 0.873 89 HA ASN 15 HA ASN 15 9.396 -4.565 0.721 90 HB2 ASN 15 1HB ASN 15 10.639 -5.824 3.196 91 HB3 ASN 15 2HB ASN 15 9.607 -6.568 2.010 92 HD21 ASN 15 1HD2 ASN 15 11.363 -8.150 2.150 93 HD22 ASN 15 2HD2 ASN 15 12.694 -7.942 0.997 94 H THR 16 H THR 16 9.000 -2.180 2.890 95 HA THR 16 HA THR 16 6.989 -3.235 4.693 96 HB THR 16 HB THR 16 7.583 -0.391 3.792 97 HG1 THR 16 HG1 THR 16 9.309 -1.062 4.839 98 HG21 THR 16 3HG2 THR 16 6.547 0.244 5.991 99 HG22 THR 16 1HG2 THR 16 5.905 -1.412 6.104 100 HG23 THR 16 2HG2 THR 16 5.413 -0.329 4.769 101 H CYS 17 H CYS 17 4.931 -3.920 4.096 102 HA CYS 17 HA CYS 17 3.570 -2.539 1.829 103 HG CYS 17 HG CYS 17 5.791 -5.025 1.757 104 HB2 CYS 17 1HB CYS 17 3.392 -5.445 2.706 105 HB3 CYS 17 2HB CYS 17 2.506 -4.712 1.364 106 H LEU 18 H LEU 18 2.083 -1.225 2.691 107 HA LEU 18 HA LEU 18 0.441 -2.050 5.065 108 HG LEU 18 HG LEU 18 1.091 -0.392 7.063 109 HB2 LEU 18 1HB LEU 18 1.800 0.505 4.254 110 HB3 LEU 18 2HB LEU 18 0.282 0.620 5.105 111 HD11 LEU 18 1HD1 LEU 18 2.429 -2.223 6.412 112 HD12 LEU 18 2HD1 LEU 18 3.524 -1.135 7.264 113 HD13 LEU 18 3HD1 LEU 18 3.534 -1.192 5.482 114 HD21 LEU 18 3HD2 LEU 18 2.909 1.118 7.687 115 HD22 LEU 18 1HD2 LEU 18 1.747 1.966 6.654 116 HD23 LEU 18 2HD2 LEU 18 3.294 1.408 5.975 117 H GLU 19 H GLU 19 -1.609 -1.659 5.189 118 HA GLU 19 HA GLU 19 -3.165 -1.128 2.715 119 HB2 GLU 19 1HB GLU 19 -5.009 -2.114 3.876 120 HB3 GLU 19 2HB GLU 19 -3.660 -3.198 4.004 121 HG2 GLU 19 1HG GLU 19 -4.510 -1.312 6.234 122 HG3 GLU 19 2HG GLU 19 -5.128 -2.939 6.033 123 H ASN 20 H ASN 20 -2.024 0.702 5.313 124 HA ASN 20 HA ASN 20 -4.176 2.727 4.949 125 HB2 ASN 20 1HB ASN 20 -3.445 1.319 7.539 126 HB3 ASN 20 2HB ASN 20 -3.987 2.985 7.595 127 HD21 ASN 20 1HD2 ASN 20 -5.221 0.151 8.282 128 HD22 ASN 20 2HD2 ASN 20 -6.856 0.385 7.685 129 H GLY 21 H GLY 21 -3.725 4.813 5.675 130 HA2 GLY 21 1HA GLY 21 -2.365 6.508 6.622 131 HA3 GLY 21 2HA GLY 21 -0.916 5.550 6.331 132 H SER 22 H SER 22 -0.287 7.736 5.638 133 HA SER 22 HA SER 22 -0.296 8.030 2.702 134 HG SER 22 HG SER 22 -2.830 9.004 3.756 135 HB2 SER 22 1HB SER 22 -1.115 10.261 4.619 136 HB3 SER 22 2HB SER 22 -0.553 10.528 2.968 137 H PHE 23 H PHE 23 1.839 8.102 2.207 138 HA PHE 23 HA PHE 23 3.783 8.414 4.272 139 HD1 PHE 23 HD1 PHE 23 5.745 7.881 4.726 140 HD2 PHE 23 HD2 PHE 23 6.255 7.205 0.495 141 HE1 PHE 23 HE1 PHE 23 8.161 7.570 5.064 142 HE2 PHE 23 HE2 PHE 23 8.694 6.924 0.839 143 HZ PHE 23 HZ PHE 23 9.670 7.236 3.121 144 HB2 PHE 23 1HB PHE 23 3.860 6.809 2.417 145 HB3 PHE 23 2HB PHE 23 4.183 8.108 1.290 146 H LEU 24 H LEU 24 3.401 10.528 5.020 147 HA LEU 24 HA LEU 24 3.677 12.886 3.652 148 HG LEU 24 HG LEU 24 2.325 11.596 6.436 149 HB2 LEU 24 1HB LEU 24 4.599 12.394 6.505 150 HB3 LEU 24 2HB LEU 24 4.155 13.940 5.798 151 HD11 LEU 24 1HD1 LEU 24 2.357 14.485 7.394 152 HD12 LEU 24 2HD1 LEU 24 2.959 13.079 8.303 153 HD13 LEU 24 3HD1 LEU 24 1.235 13.208 7.917 154 HD21 LEU 24 3HD2 LEU 24 1.481 12.501 4.329 155 HD22 LEU 24 1HD2 LEU 24 1.608 14.164 4.958 156 HD23 LEU 24 2HD2 LEU 24 0.437 13.015 5.647 157 H LEU 25 H LEU 25 6.400 10.886 4.605 158 HA LEU 25 HA LEU 25 8.436 12.925 4.224 159 HG LEU 25 HG LEU 25 7.997 10.680 6.460 160 HB2 LEU 25 1HB LEU 25 8.604 9.899 4.220 161 HB3 LEU 25 2HB LEU 25 9.998 10.944 4.173 162 HD11 LEU 25 1HD1 LEU 25 9.934 9.831 7.701 163 HD12 LEU 25 2HD1 LEU 25 10.978 10.068 6.282 164 HD13 LEU 25 3HD1 LEU 25 9.675 8.863 6.244 165 HD21 LEU 25 3HD2 LEU 25 9.529 12.195 7.729 166 HD22 LEU 25 1HD2 LEU 25 8.693 13.021 6.416 167 HD23 LEU 25 2HD2 LEU 25 10.398 12.546 6.219 168 H ASN 26 H ASN 26 6.597 11.062 1.942 169 HA ASN 26 HA ASN 26 8.507 11.756 -0.290 170 HB2 ASN 26 1HB ASN 26 7.746 9.373 -0.030 171 HB3 ASN 26 2HB ASN 26 6.085 9.887 -0.262 172 HD21 ASN 26 1HD2 ASN 26 5.859 8.664 -2.282 173 HD22 ASN 26 2HD2 ASN 26 6.737 9.191 -3.725 174 H PHE 27 H PHE 27 5.205 12.232 1.011 175 HA PHE 27 HA PHE 27 4.271 13.800 -1.223 176 HD1 PHE 27 HD1 PHE 27 2.115 14.367 -1.869 177 HD2 PHE 27 HD2 PHE 27 1.950 15.652 2.234 178 HE1 PHE 27 HE1 PHE 27 0.296 16.010 -2.464 179 HE2 PHE 27 HE2 PHE 27 0.166 17.285 1.633 180 HZ PHE 27 HZ PHE 27 -0.677 17.423 -0.688 181 HB2 PHE 27 1HB PHE 27 2.747 12.835 0.447 182 HB3 PHE 27 2HB PHE 27 3.390 13.900 1.677 183 H THR 28 H THR 28 5.284 15.573 -1.912 184 HA THR 28 HA THR 28 6.699 17.397 -0.013 185 HB THR 28 HB THR 28 7.469 18.518 -2.168 186 HG1 THR 28 HG1 THR 28 5.994 17.718 -3.646 187 HG21 THR 28 3HG2 THR 28 8.902 16.986 -0.930 188 HG22 THR 28 1HG2 THR 28 9.091 16.711 -2.671 189 HG23 THR 28 2HG2 THR 28 8.116 15.590 -1.694 190 H GLY 29 H GLY 29 3.623 17.083 -0.803 191 HA2 GLY 29 1HA GLY 29 1.897 18.599 -0.302 192 HA3 GLY 29 2HA GLY 29 2.938 19.975 -0.598 193 H CYS 30 H CYS 30 0.337 19.446 -1.722 194 HA CYS 30 HA CYS 30 0.216 18.343 -4.250 195 HB2 CYS 30 1HB CYS 30 -1.619 19.263 -2.637 196 HB3 CYS 30 2HB CYS 30 -1.333 20.807 -3.391 197 H ALA 31 H ALA 31 -0.387 19.460 -6.192 198 HA ALA 31 HA ALA 31 1.160 21.943 -6.731 199 HB1 ALA 31 3HB ALA 31 1.075 19.920 -8.920 200 HB2 ALA 31 1HB ALA 31 2.187 21.257 -8.659 201 HB3 ALA 31 2HB ALA 31 2.319 19.796 -7.635 202 H VAL 32 H VAL 32 -1.879 20.355 -6.913 203 HA VAL 32 HA VAL 32 -2.907 22.070 -9.041 204 HB VAL 32 HB VAL 32 -4.255 20.251 -7.010 205 HG11 VAL 32 1HG1 VAL 32 -6.429 20.676 -8.068 206 HG12 VAL 32 2HG1 VAL 32 -5.823 22.124 -7.268 207 HG13 VAL 32 3HG1 VAL 32 -5.715 21.993 -9.040 208 HG21 VAL 32 3HG2 VAL 32 -4.249 20.251 -10.063 209 HG22 VAL 32 1HG2 VAL 32 -3.276 19.191 -9.022 210 HG23 VAL 32 2HG2 VAL 32 -5.034 19.051 -9.005 211 H CYS 33 H CYS 33 -2.662 22.147 -5.510 212 HA CYS 33 HA CYS 33 -3.499 25.011 -5.489 213 HB2 CYS 33 1HB CYS 33 -4.576 24.599 -3.404 214 HB3 CYS 33 2HB CYS 33 -5.221 23.466 -4.603 215 H SER 34 H SER 34 -1.057 22.776 -4.488 216 HA SER 34 HA SER 34 1.011 23.114 -3.614 217 HG SER 34 HG SER 34 2.527 25.019 -2.394 218 HB2 SER 34 1HB SER 34 0.770 25.466 -4.585 219 HB3 SER 34 2HB SER 34 0.512 25.986 -2.911 220 H LYS 35 H LYS 35 -1.501 22.521 -1.811 221 HA LYS 35 HA LYS 35 -0.537 23.368 0.874 222 HB2 LYS 35 1HB LYS 35 -2.848 21.698 -0.149 223 HB3 LYS 35 2HB LYS 35 -2.436 21.761 1.554 224 HG2 LYS 35 1HG LYS 35 -2.493 24.488 0.516 225 HG3 LYS 35 2HG LYS 35 -3.976 23.651 0.061 226 HD2 LYS 35 1HD LYS 35 -4.364 22.973 2.369 227 HD3 LYS 35 2HD LYS 35 -2.851 23.738 2.884 228 HE2 LYS 35 1HE LYS 35 -5.241 25.188 1.630 229 HE3 LYS 35 2HE LYS 35 -4.962 25.051 3.367 230 HZ1 LYS 35 3HZ LYS 35 -4.124 27.152 2.536 231 HZ2 LYS 35 1HZ LYS 35 -3.138 26.421 1.465 232 HZ3 LYS 35 2HZ LYS 35 -2.867 26.262 3.071 233 H ARG 36 H ARG 36 0.213 22.022 2.507 234 HA ARG 36 HA ARG 36 1.088 19.255 1.793 235 HE ARG 36 HE ARG 36 5.253 17.245 2.248 236 HB2 ARG 36 1HB ARG 36 2.974 20.881 1.744 237 HB3 ARG 36 2HB ARG 36 2.758 21.107 3.489 238 HG2 ARG 36 1HG ARG 36 3.327 18.820 3.952 239 HG3 ARG 36 2HG ARG 36 3.067 18.332 2.263 240 HD2 ARG 36 1HD ARG 36 4.992 19.688 1.586 241 HD3 ARG 36 2HD ARG 36 5.308 20.085 3.285 242 HH11 ARG 36 1HH1 ARG 36 7.093 19.644 4.031 243 HH12 ARG 36 2HH1 ARG 36 8.238 18.451 4.577 244 HH21 ARG 36 1HH2 ARG 36 6.631 15.807 3.041 245 HH22 ARG 36 2HH2 ARG 36 7.992 16.324 4.002 246 H ASP 37 H ASP 37 1.346 17.842 3.723 247 HA ASP 37 HA ASP 37 0.305 16.692 5.332 248 HB2 ASP 37 1HB ASP 37 0.300 17.551 7.521 249 HB3 ASP 37 2HB ASP 37 1.772 17.975 6.671 250 H PHE 38 H PHE 38 -1.378 17.804 3.456 251 HA PHE 38 HA PHE 38 -4.060 17.842 4.754 252 HD1 PHE 38 HD1 PHE 38 -2.507 20.184 5.499 253 HD2 PHE 38 HD2 PHE 38 -5.984 20.761 3.021 254 HE1 PHE 38 HE1 PHE 38 -3.216 22.075 6.927 255 HE2 PHE 38 HE2 PHE 38 -6.677 22.676 4.426 256 HZ PHE 38 HZ PHE 38 -5.298 23.336 6.399 257 HB2 PHE 38 1HB PHE 38 -2.874 19.573 2.632 258 HB3 PHE 38 2HB PHE 38 -4.535 19.093 2.442 259 H MET 39 H MET 39 -4.629 15.760 4.531 260 HA MET 39 HA MET 39 -5.433 14.925 1.901 261 HB2 MET 39 1HB MET 39 -4.268 12.635 2.037 262 HB3 MET 39 2HB MET 39 -3.390 14.001 1.428 263 HG2 MET 39 1HG MET 39 -3.080 13.686 4.359 264 HG3 MET 39 2HG MET 39 -2.627 12.242 3.475 265 HE1 MET 39 3HE MET 39 0.373 13.171 1.362 266 HE2 MET 39 1HE MET 39 -1.041 12.121 1.569 267 HE3 MET 39 2HE MET 39 -1.189 13.640 0.661 268 H LEU 40 H LEU 40 -6.747 13.292 1.712 269 HA LEU 40 HA LEU 40 -8.093 11.961 4.023 270 HG LEU 40 HG LEU 40 -10.573 14.648 3.082 271 HB2 LEU 40 1HB LEU 40 -9.137 13.591 1.687 272 HB3 LEU 40 2HB LEU 40 -10.072 12.247 2.212 273 HD11 LEU 40 1HD1 LEU 40 -11.631 13.635 5.092 274 HD12 LEU 40 2HD1 LEU 40 -10.608 12.192 4.909 275 HD13 LEU 40 3HD1 LEU 40 -11.832 12.591 3.682 276 HD21 LEU 40 3HD2 LEU 40 -9.771 15.110 5.307 277 HD22 LEU 40 1HD2 LEU 40 -8.431 15.085 4.142 278 HD23 LEU 40 2HD2 LEU 40 -8.684 13.718 5.252 279 H ILE 41 H ILE 41 -9.342 10.051 3.249 280 HA ILE 41 HA ILE 41 -8.249 8.659 0.848 281 HB ILE 41 HB ILE 41 -8.625 7.614 3.673 282 HG12 ILE 41 1HG1 ILE 41 -6.221 7.456 1.790 283 HG13 ILE 41 2HG1 ILE 41 -6.426 8.674 3.045 284 HG21 ILE 41 1HG2 ILE 41 -8.125 5.315 2.758 285 HG22 ILE 41 2HG2 ILE 41 -9.667 5.929 2.214 286 HG23 ILE 41 3HG2 ILE 41 -8.276 5.968 1.116 287 HD11 ILE 41 3HD1 ILE 41 -6.490 6.861 4.779 288 HD12 ILE 41 1HD1 ILE 41 -6.049 5.696 3.505 289 HD13 ILE 41 2HD1 ILE 41 -4.950 7.017 3.918 290 H THR 42 H THR 42 -9.826 7.836 -0.414 291 HA THR 42 HA THR 42 -12.526 7.345 0.657 292 HB THR 42 HB THR 42 -12.276 9.819 -0.190 293 HG1 THR 42 HG1 THR 42 -14.458 9.684 -0.690 294 HG21 THR 42 3HG2 THR 42 -11.511 8.863 -2.563 295 HG22 THR 42 1HG2 THR 42 -12.604 10.262 -2.444 296 HG23 THR 42 2HG2 THR 42 -13.250 8.655 -2.803 297 H ASN 43 H ASN 43 -13.985 6.527 -1.163 298 HA ASN 43 HA ASN 43 -14.541 4.799 -2.460 299 HB2 ASN 43 1HB ASN 43 -14.200 5.332 -4.572 300 HB3 ASN 43 2HB ASN 43 -13.187 6.639 -3.972 301 HD21 ASN 43 1HD2 ASN 43 -10.789 5.673 -3.437 302 HD22 ASN 43 2HD2 ASN 43 -10.102 4.938 -4.892 303 H LYS 44 H LYS 44 -12.342 4.311 -0.437 304 HA LYS 44 HA LYS 44 -10.610 2.264 -1.058 305 HB2 LYS 44 1HB LYS 44 -10.839 3.676 1.037 306 HB3 LYS 44 2HB LYS 44 -12.112 2.553 1.558 307 HG2 LYS 44 1HG LYS 44 -10.651 0.876 2.068 308 HG3 LYS 44 2HG LYS 44 -9.587 1.235 0.702 309 HD2 LYS 44 1HD LYS 44 -8.697 3.193 1.871 310 HD3 LYS 44 2HD LYS 44 -9.697 2.812 3.299 311 HE2 LYS 44 1HE LYS 44 -8.510 0.701 3.600 312 HE3 LYS 44 2HE LYS 44 -7.675 0.909 2.052 313 HZ1 LYS 44 3HZ LYS 44 -6.214 1.570 3.779 314 HZ2 LYS 44 1HZ LYS 44 -7.277 2.565 4.484 315 HZ3 LYS 44 2HZ LYS 44 -6.639 2.936 2.998 316 H SER 45 H SER 45 -10.895 0.421 -1.938 317 HA SER 45 HA SER 45 -13.254 -1.273 -1.281 318 HG SER 45 HG SER 45 -13.118 0.385 -3.664 319 HB2 SER 45 1HB SER 45 -11.427 -1.167 -3.729 320 HB3 SER 45 2HB SER 45 -12.640 -2.423 -3.461 321 H LEU 46 H LEU 46 -12.991 -3.499 -1.118 322 HA LEU 46 HA LEU 46 -10.314 -4.569 -0.549 323 HG LEU 46 HG LEU 46 -10.382 -6.532 1.167 324 HB2 LEU 46 1HB LEU 46 -10.972 -3.898 1.609 325 HB3 LEU 46 2HB LEU 46 -12.610 -4.500 1.424 326 HD11 LEU 46 1HD1 LEU 46 -10.151 -6.782 3.590 327 HD12 LEU 46 2HD1 LEU 46 -11.229 -5.390 3.863 328 HD13 LEU 46 3HD1 LEU 46 -9.642 -5.164 3.099 329 HD21 LEU 46 3HD2 LEU 46 -12.727 -7.299 1.038 330 HD22 LEU 46 1HD2 LEU 46 -13.049 -6.596 2.636 331 HD23 LEU 46 2HD2 LEU 46 -11.916 -7.952 2.458 332 H LYS 47 H LYS 47 -10.072 -6.632 -1.147 333 HA LYS 47 HA LYS 47 -12.391 -8.206 -2.132 334 HB2 LYS 47 1HB LYS 47 -10.599 -6.903 -3.822 335 HB3 LYS 47 2HB LYS 47 -9.845 -8.469 -3.626 336 HG2 LYS 47 1HG LYS 47 -11.861 -9.628 -4.322 337 HG3 LYS 47 2HG LYS 47 -12.705 -8.074 -4.524 338 HD2 LYS 47 1HD LYS 47 -11.081 -7.424 -6.281 339 HD3 LYS 47 2HD LYS 47 -10.225 -8.969 -6.066 340 HE2 LYS 47 1HE LYS 47 -12.291 -10.199 -6.688 341 HE3 LYS 47 2HE LYS 47 -13.149 -8.667 -6.897 342 HZ1 LYS 47 3HZ LYS 47 -10.796 -9.532 -8.497 343 HZ2 LYS 47 1HZ LYS 47 -11.591 -8.115 -8.690 344 HZ3 LYS 47 2HZ LYS 47 -12.342 -9.526 -9.018 345 H GLU 48 H GLU 48 -12.156 -10.442 -2.027 346 HA GLU 48 HA GLU 48 -9.651 -11.493 -0.794 347 HB2 GLU 48 1HB GLU 48 -12.417 -12.034 0.331 348 HB3 GLU 48 2HB GLU 48 -10.922 -12.820 0.845 349 HG2 GLU 48 1HG GLU 48 -10.045 -10.624 1.615 350 HG3 GLU 48 2HG GLU 48 -11.569 -9.868 1.158 351 H GLU 49 H GLU 49 -8.964 -13.046 -2.106 352 HA GLU 49 HA GLU 49 -10.905 -14.971 -3.320 353 HB2 GLU 49 1HB GLU 49 -8.316 -13.990 -4.555 354 HB3 GLU 49 2HB GLU 49 -9.348 -15.272 -5.179 355 HG2 GLU 49 1HG GLU 49 -10.085 -12.318 -4.893 356 HG3 GLU 49 2HG GLU 49 -9.647 -13.135 -6.385 357 H ASP 50 H ASP 50 -10.696 -16.946 -2.573 358 HA ASP 50 HA ASP 50 -9.874 -18.802 -1.507 359 HB2 ASP 50 1HB ASP 50 -9.239 -18.719 -4.003 360 HB3 ASP 50 2HB ASP 50 -7.604 -18.335 -3.478 361 H GLY 51 H GLY 51 -8.714 -16.371 -0.169 362 HA2 GLY 51 1HA GLY 51 -7.572 -16.707 2.047 363 HA3 GLY 51 2HA GLY 51 -6.300 -17.585 1.192 364 H GLU 52 H GLU 52 -6.653 -15.489 -1.083 365 HA GLU 52 HA GLU 52 -4.615 -13.608 -0.174 366 HB2 GLU 52 1HB GLU 52 -4.573 -14.475 -2.481 367 HB3 GLU 52 2HB GLU 52 -6.216 -13.867 -2.749 368 HG2 GLU 52 1HG GLU 52 -5.377 -11.520 -2.485 369 HG3 GLU 52 2HG GLU 52 -3.756 -12.147 -2.358 370 H GLU 53 H GLU 53 -4.927 -11.503 0.377 371 HA GLU 53 HA GLU 53 -7.702 -10.385 0.432 372 HB2 GLU 53 1HB GLU 53 -5.442 -9.927 2.425 373 HB3 GLU 53 2HB GLU 53 -6.998 -9.085 2.405 374 HG2 GLU 53 1HG GLU 53 -8.154 -11.280 2.757 375 HG3 GLU 53 2HG GLU 53 -6.583 -12.072 2.862 376 H ILE 54 H ILE 54 -7.947 -8.502 -0.705 377 HA ILE 54 HA ILE 54 -5.471 -7.041 -1.510 378 HB ILE 54 HB ILE 54 -7.984 -7.362 -3.196 379 HG12 ILE 54 1HG1 ILE 54 -6.053 -8.591 -4.676 380 HG13 ILE 54 2HG1 ILE 54 -5.436 -8.997 -3.083 381 HG21 ILE 54 1HG2 ILE 54 -6.859 -5.309 -3.618 382 HG22 ILE 54 2HG2 ILE 54 -5.271 -6.111 -3.626 383 HG23 ILE 54 3HG2 ILE 54 -6.447 -6.393 -4.940 384 HD11 ILE 54 3HD1 ILE 54 -6.871 -10.784 -3.990 385 HD12 ILE 54 1HD1 ILE 54 -7.683 -10.084 -2.579 386 HD13 ILE 54 2HD1 ILE 54 -8.189 -9.664 -4.236 387 H VAL 55 H VAL 55 -5.527 -4.849 -1.326 388 HA VAL 55 HA VAL 55 -8.080 -3.495 -0.532 389 HB VAL 55 HB VAL 55 -5.338 -3.018 0.720 390 HG11 VAL 55 1HG1 VAL 55 -6.705 -0.984 0.614 391 HG12 VAL 55 2HG1 VAL 55 -8.064 -1.837 1.391 392 HG13 VAL 55 3HG1 VAL 55 -6.533 -1.561 2.274 393 HG21 VAL 55 3HG2 VAL 55 -7.794 -4.409 1.854 394 HG22 VAL 55 1HG2 VAL 55 -6.187 -5.122 1.580 395 HG23 VAL 55 2HG2 VAL 55 -6.397 -3.886 2.824 396 H THR 56 H THR 56 -8.494 -1.999 -2.034 397 HA THR 56 HA THR 56 -6.209 -0.491 -3.228 398 HB THR 56 HB THR 56 -7.241 -0.374 -5.345 399 HG1 THR 56 HG1 THR 56 -9.094 -1.596 -5.806 400 HG21 THR 56 3HG2 THR 56 -5.796 -2.390 -4.720 401 HG22 THR 56 1HG2 THR 56 -6.888 -2.634 -6.094 402 HG23 THR 56 2HG2 THR 56 -7.299 -3.310 -4.508 403 H TYR 57 H TYR 57 -6.307 1.693 -3.216 404 HA TYR 57 HA TYR 57 -8.872 3.065 -2.899 405 HD1 TYR 57 HD1 TYR 57 -6.416 1.157 -0.100 406 HD2 TYR 57 HD2 TYR 57 -6.443 5.461 -0.243 407 HE1 TYR 57 HE1 TYR 57 -4.430 1.229 1.417 408 HE2 TYR 57 HE2 TYR 57 -4.467 5.533 1.254 409 HH TYR 57 HH TYR 57 -2.995 4.325 2.506 410 HB2 TYR 57 1HB TYR 57 -8.454 4.147 -0.823 411 HB3 TYR 57 2HB TYR 57 -8.452 2.430 -0.626 412 H ASP 58 H ASP 58 -8.147 5.546 -2.153 413 HA ASP 58 HA ASP 58 -5.998 6.494 -3.995 414 HB2 ASP 58 1HB ASP 58 -8.953 7.352 -3.874 415 HB3 ASP 58 2HB ASP 58 -7.695 8.296 -4.645 416 H HIS 59 H HIS 59 -5.371 8.674 -3.462 417 HA HIS 59 HA HIS 59 -6.034 9.606 -0.684 418 HD1 HIS 59 HD1 HIS 59 -3.092 8.991 1.249 419 HD2 HIS 59 HD2 HIS 59 -2.760 7.624 -2.716 420 HE1 HIS 59 HE1 HIS 59 -1.627 6.930 1.310 421 HB2 HIS 59 1HB HIS 59 -3.533 10.219 -2.293 422 HB3 HIS 59 2HB HIS 59 -3.872 10.685 -0.643 423 H LEU 60 H LEU 60 -6.663 11.759 -0.465 424 HA LEU 60 HA LEU 60 -6.994 13.411 -2.941 425 HG LEU 60 HG LEU 60 -9.003 12.427 -3.832 426 HB2 LEU 60 1HB LEU 60 -9.093 12.819 -0.812 427 HB3 LEU 60 2HB LEU 60 -9.166 14.172 -1.929 428 HD11 LEU 60 1HD1 LEU 60 -8.535 10.404 -2.386 429 HD12 LEU 60 2HD1 LEU 60 -10.011 10.260 -3.313 430 HD13 LEU 60 3HD1 LEU 60 -10.081 10.671 -1.570 431 HD21 LEU 60 3HD2 LEU 60 -11.005 13.767 -3.295 432 HD22 LEU 60 1HD2 LEU 60 -11.488 12.579 -2.071 433 HD23 LEU 60 2HD2 LEU 60 -11.436 12.133 -3.796 434 H CYS 61 H CYS 61 -6.457 15.490 -2.727 435 HA CYS 61 HA CYS 61 -5.119 16.531 -0.454 436 HB2 CYS 61 1HB CYS 61 -5.035 17.139 -2.955 437 HB3 CYS 61 2HB CYS 61 -6.519 18.048 -2.701 438 H LYS 62 H LYS 62 -5.896 17.282 1.453 439 HA LYS 62 HA LYS 62 -8.734 17.415 2.018 440 HB2 LYS 62 1HB LYS 62 -7.261 16.876 3.802 441 HB3 LYS 62 2HB LYS 62 -6.240 18.257 3.511 442 HG2 LYS 62 1HG LYS 62 -7.401 18.593 5.560 443 HG3 LYS 62 2HG LYS 62 -7.921 19.789 4.387 444 HD2 LYS 62 1HD LYS 62 -9.950 18.201 3.943 445 HD3 LYS 62 2HD LYS 62 -9.395 17.321 5.365 446 HE2 LYS 62 1HE LYS 62 -11.130 18.815 6.067 447 HE3 LYS 62 2HE LYS 62 -9.602 19.402 6.729 448 HZ1 LYS 62 3HZ LYS 62 -9.541 21.069 4.967 449 HZ2 LYS 62 1HZ LYS 62 -10.976 21.186 5.738 450 HZ3 LYS 62 2HZ LYS 62 -10.886 20.476 4.266 451 H ASN 63 H ASN 63 -6.780 19.633 0.325 452 HA ASN 63 HA ASN 63 -8.382 22.012 1.077 453 HB2 ASN 63 1HB ASN 63 -6.007 22.304 1.089 454 HB3 ASN 63 2HB ASN 63 -5.845 21.684 -0.549 455 HD21 ASN 63 1HD2 ASN 63 -5.550 23.310 -2.027 456 HD22 ASN 63 2HD2 ASN 63 -6.323 24.894 -1.890 457 H CYS 64 H CYS 64 -7.128 20.704 -2.088 458 HA CYS 64 HA CYS 64 -9.518 21.767 -3.409 459 HB2 CYS 64 1HB CYS 64 -8.228 21.369 -5.465 460 HB3 CYS 64 2HB CYS 64 -7.433 22.439 -4.319 461 H HIS 65 H HIS 65 -8.789 18.773 -2.090 462 HA HIS 65 HA HIS 65 -9.450 16.635 -2.388 463 HD1 HIS 65 HD1 HIS 65 -12.170 19.624 -1.168 464 HD2 HIS 65 HD2 HIS 65 -11.056 15.647 -0.253 465 HE1 HIS 65 HE1 HIS 65 -12.210 19.431 1.399 466 HE2 HIS 65 HE2 HIS 65 -11.588 16.990 1.945 467 HB2 HIS 65 1HB HIS 65 -12.012 17.964 -3.267 468 HB3 HIS 65 2HB HIS 65 -11.843 16.257 -2.855 469 H HIS 66 H HIS 66 -8.066 17.831 -4.648 470 HA HIS 66 HA HIS 66 -8.691 16.263 -7.020 471 HD1 HIS 66 HD1 HIS 66 -5.835 16.099 -9.138 472 HD2 HIS 66 HD2 HIS 66 -4.407 17.373 -5.379 473 HE1 HIS 66 HE1 HIS 66 -3.317 16.002 -9.250 474 HB2 HIS 66 1HB HIS 66 -7.321 17.918 -7.644 475 HB3 HIS 66 2HB HIS 66 -6.691 18.142 -6.022 476 H VAL 67 H VAL 67 -7.722 14.180 -7.528 477 HA VAL 67 HA VAL 67 -6.926 12.566 -5.236 478 HB VAL 67 HB VAL 67 -7.045 11.870 -8.200 479 HG11 VAL 67 1HG1 VAL 67 -6.634 10.137 -5.724 480 HG12 VAL 67 2HG1 VAL 67 -7.033 9.520 -7.331 481 HG13 VAL 67 3HG1 VAL 67 -5.498 10.352 -7.076 482 HG21 VAL 67 3HG2 VAL 67 -9.099 10.651 -7.581 483 HG22 VAL 67 1HG2 VAL 67 -8.950 11.213 -5.904 484 HG23 VAL 67 2HG2 VAL 67 -9.278 12.369 -7.213 485 H ILE 68 H ILE 68 -5.068 12.915 -4.361 486 HA ILE 68 HA ILE 68 -2.695 13.983 -5.552 487 HB ILE 68 HB ILE 68 -3.322 12.539 -2.976 488 HG12 ILE 68 1HG1 ILE 68 -2.494 15.391 -3.687 489 HG13 ILE 68 2HG1 ILE 68 -4.152 14.867 -3.435 490 HG21 ILE 68 1HG2 ILE 68 -0.966 11.930 -3.469 491 HG22 ILE 68 2HG2 ILE 68 -0.590 13.639 -3.761 492 HG23 ILE 68 3HG2 ILE 68 -1.045 13.065 -2.148 493 HD11 ILE 68 3HD1 ILE 68 -3.669 14.312 -1.102 494 HD12 ILE 68 1HD1 ILE 68 -1.973 14.832 -1.316 495 HD13 ILE 68 2HD1 ILE 68 -3.267 16.006 -1.491 496 H ALA 69 H ALA 69 -3.681 10.631 -4.763 497 HA ALA 69 HA ALA 69 -1.927 9.434 -6.770 498 HB1 ALA 69 3HB ALA 69 -1.349 9.280 -3.765 499 HB2 ALA 69 1HB ALA 69 -0.626 8.176 -4.946 500 HB3 ALA 69 2HB ALA 69 -0.287 9.918 -5.026 501 H ARG 70 H ARG 70 -1.990 7.011 -6.630 502 HA ARG 70 HA ARG 70 -4.532 5.897 -5.497 503 HE ARG 70 HE ARG 70 -7.313 7.384 -8.233 504 HB2 ARG 70 1HB ARG 70 -3.161 5.399 -8.166 505 HB3 ARG 70 2HB ARG 70 -4.061 4.126 -7.345 506 HG2 ARG 70 1HG ARG 70 -5.628 4.997 -8.785 507 HG3 ARG 70 2HG ARG 70 -6.034 5.654 -7.201 508 HD2 ARG 70 1HD ARG 70 -4.848 7.794 -7.882 509 HD3 ARG 70 2HD ARG 70 -4.603 7.083 -9.489 510 HH11 ARG 70 1HH1 ARG 70 -5.316 8.162 -11.026 511 HH12 ARG 70 2HH1 ARG 70 -6.670 8.839 -11.889 512 HH21 ARG 70 1HH2 ARG 70 -8.928 8.199 -9.360 513 HH22 ARG 70 2HH2 ARG 70 -8.693 8.862 -10.959 514 H HIS 71 H HIS 71 -4.391 4.066 -4.407 515 HA HIS 71 HA HIS 71 -1.687 2.915 -3.774 516 HD2 HIS 71 HD2 HIS 71 -2.691 0.526 -1.117 517 HE1 HIS 71 HE1 HIS 71 0.310 2.694 0.994 518 HE2 HIS 71 HE2 HIS 71 -0.844 0.434 0.755 519 HB2 HIS 71 1HB HIS 71 -2.923 4.402 -2.057 520 HB3 HIS 71 2HB HIS 71 -4.074 3.094 -1.901 521 H GLU 72 H GLU 72 -1.494 0.735 -3.769 522 HA GLU 72 HA GLU 72 -3.894 -1.002 -3.586 523 HB2 GLU 72 1HB GLU 72 -3.571 -0.926 -5.934 524 HB3 GLU 72 2HB GLU 72 -1.810 -1.023 -5.803 525 HG2 GLU 72 1HG GLU 72 -1.870 -3.290 -5.076 526 HG3 GLU 72 2HG GLU 72 -3.628 -3.272 -4.845 527 H TYR 73 H TYR 73 -3.570 -2.571 -2.154 528 HA TYR 73 HA TYR 73 -0.821 -3.541 -1.539 529 HD1 TYR 73 HD1 TYR 73 0.320 -4.532 0.777 530 HD2 TYR 73 HD2 TYR 73 -3.838 -4.098 1.843 531 HE1 TYR 73 HE1 TYR 73 0.560 -6.352 2.415 532 HE2 TYR 73 HE2 TYR 73 -3.589 -5.912 3.511 533 HH TYR 73 HH TYR 73 -0.471 -7.509 4.169 534 HB2 TYR 73 1HB TYR 73 -1.224 -2.259 0.372 535 HB3 TYR 73 2HB TYR 73 -2.944 -2.579 0.361 536 H THR 74 H THR 74 -0.739 -5.682 -1.876 537 HA THR 74 HA THR 74 -3.296 -7.269 -1.711 538 HB THR 74 HB THR 74 -3.050 -8.329 -3.664 539 HG1 THR 74 HG1 THR 74 -0.297 -7.644 -3.764 540 HG21 THR 74 3HG2 THR 74 -1.544 -5.846 -4.570 541 HG22 THR 74 1HG2 THR 74 -3.265 -5.811 -4.191 542 HG23 THR 74 2HG2 THR 74 -2.678 -6.849 -5.497 543 H PHE 75 H PHE 75 -3.153 -9.094 -0.599 544 HA PHE 75 HA PHE 75 -0.443 -10.047 0.294 545 HD1 PHE 75 HD1 PHE 75 0.481 -10.642 2.792 546 HD2 PHE 75 HD2 PHE 75 -3.738 -11.516 2.867 547 HE1 PHE 75 HE1 PHE 75 0.922 -12.591 4.188 548 HE2 PHE 75 HE2 PHE 75 -3.290 -13.533 4.229 549 HZ PHE 75 HZ PHE 75 -0.935 -14.117 4.846 550 HB2 PHE 75 1HB PHE 75 -1.248 -8.924 2.132 551 HB3 PHE 75 2HB PHE 75 -2.904 -9.418 1.918 552 H SER 76 H SER 76 -0.145 -12.211 -0.114 553 HA SER 76 HA SER 76 -2.477 -14.029 -0.665 554 HG SER 76 HG SER 76 -1.485 -13.885 -3.959 555 HB2 SER 76 1HB SER 76 -0.023 -13.442 -2.275 556 HB3 SER 76 2HB SER 76 -0.588 -15.110 -2.244 557 H ILE 77 H ILE 77 -2.349 -16.124 0.048 558 HA ILE 77 HA ILE 77 0.131 -16.916 1.578 559 HB ILE 77 HB ILE 77 -2.684 -17.932 2.032 560 HG12 ILE 77 1HG1 ILE 77 -1.015 -15.800 3.325 561 HG13 ILE 77 2HG1 ILE 77 -2.714 -15.765 2.812 562 HG21 ILE 77 1HG2 ILE 77 -1.691 -19.160 3.905 563 HG22 ILE 77 2HG2 ILE 77 -0.852 -19.616 2.427 564 HG23 ILE 77 3HG2 ILE 77 -0.094 -18.468 3.552 565 HD11 ILE 77 3HD1 ILE 77 -1.543 -17.106 5.271 566 HD12 ILE 77 1HD1 ILE 77 -2.654 -15.731 5.206 567 HD13 ILE 77 2HD1 ILE 77 -3.233 -17.338 4.724 568 H MET 78 H MET 78 1.349 -18.413 0.693 569 HA MET 78 HA MET 78 0.134 -20.367 -1.195 570 HB2 MET 78 1HB MET 78 2.355 -20.400 -2.376 571 HB3 MET 78 2HB MET 78 1.366 -18.962 -2.615 572 HG2 MET 78 1HG MET 78 2.765 -17.603 -1.301 573 HG3 MET 78 2HG MET 78 3.537 -18.968 -0.506 574 HE1 MET 78 3HE MET 78 3.004 -17.534 -4.160 575 HE2 MET 78 1HE MET 78 4.463 -18.154 -4.974 576 HE3 MET 78 2HE MET 78 3.199 -19.281 -4.449 577 H ASP 79 H ASP 79 0.121 -22.310 -0.454 578 HA ASP 79 HA ASP 79 0.529 -24.233 0.655 579 HB2 ASP 79 1HB ASP 79 3.338 -23.542 -0.245 580 HB3 ASP 79 2HB ASP 79 2.839 -25.127 0.341 581 H GLU 80 H GLU 80 3.532 -22.601 1.661 582 HA GLU 80 HA GLU 80 2.887 -23.016 4.555 583 HB2 GLU 80 1HB GLU 80 5.635 -23.421 3.350 584 HB3 GLU 80 2HB GLU 80 5.141 -23.741 4.998 585 HG2 GLU 80 1HG GLU 80 4.359 -25.303 2.504 586 HG3 GLU 80 2HG GLU 80 5.523 -25.785 3.727 587 H PHE 81 H PHE 81 3.376 -20.667 2.287 588 HA PHE 81 HA PHE 81 4.907 -18.961 4.249 589 HD1 PHE 81 HD1 PHE 81 7.129 -20.689 3.626 590 HD2 PHE 81 HD2 PHE 81 5.701 -19.767 -0.314 591 HE1 PHE 81 HE1 PHE 81 8.343 -22.664 2.724 592 HE2 PHE 81 HE2 PHE 81 6.843 -21.746 -1.226 593 HZ PHE 81 HZ PHE 81 8.202 -23.210 0.299 594 HB2 PHE 81 1HB PHE 81 5.202 -18.304 1.339 595 HB3 PHE 81 2HB PHE 81 6.318 -18.175 2.634 596 H GLN 82 H GLN 82 4.671 -16.649 3.665 597 HA GLN 82 HA GLN 82 1.962 -15.914 2.606 598 HB2 GLN 82 1HB GLN 82 3.297 -14.141 4.576 599 HB3 GLN 82 2HB GLN 82 1.578 -14.490 4.288 600 HG2 GLN 82 1HG GLN 82 1.782 -16.589 5.484 601 HG3 GLN 82 2HG GLN 82 3.473 -16.170 5.890 602 HE21 GLN 82 1HE2 GLN 82 0.409 -16.098 7.187 603 HE22 GLN 82 2HE2 GLN 82 0.642 -14.736 8.277 604 H GLU 83 H GLU 83 1.872 -14.145 1.333 605 HA GLU 83 HA GLU 83 4.423 -12.855 0.449 606 HB2 GLU 83 1HB GLU 83 2.062 -13.947 -1.124 607 HB3 GLU 83 2HB GLU 83 2.920 -12.541 -1.728 608 HG2 GLU 83 1HG GLU 83 5.034 -13.763 -1.703 609 HG3 GLU 83 2HG GLU 83 4.177 -15.243 -1.203 610 H TYR 84 H TYR 84 4.441 -10.755 0.556 611 HA TYR 84 HA TYR 84 1.897 -9.182 0.904 612 HD1 TYR 84 HD1 TYR 84 4.515 -10.958 3.344 613 HD2 TYR 84 HD2 TYR 84 1.429 -7.960 3.594 614 HE1 TYR 84 HE1 TYR 84 3.591 -12.093 5.361 615 HE2 TYR 84 HE2 TYR 84 0.556 -9.038 5.670 616 HH TYR 84 HH TYR 84 2.035 -12.021 7.027 617 HB2 TYR 84 1HB TYR 84 4.675 -8.767 2.066 618 HB3 TYR 84 2HB TYR 84 3.368 -7.608 2.155 619 H THR 85 H THR 85 1.604 -7.634 -0.667 620 HA THR 85 HA THR 85 4.009 -6.459 -1.932 621 HB THR 85 HB THR 85 3.503 -6.850 -4.094 622 HG1 THR 85 HG1 THR 85 1.467 -7.345 -4.880 623 HG21 THR 85 3HG2 THR 85 3.873 -9.136 -3.099 624 HG22 THR 85 1HG2 THR 85 2.853 -9.164 -4.537 625 HG23 THR 85 2HG2 THR 85 2.118 -9.321 -2.927 626 H MET 86 H MET 86 3.799 -4.363 -2.434 627 HA MET 86 HA MET 86 1.177 -2.957 -2.198 628 HB2 MET 86 1HB MET 86 2.150 -2.779 -0.041 629 HB3 MET 86 2HB MET 86 3.734 -2.303 -0.692 630 HG2 MET 86 1HG MET 86 2.636 -0.233 -1.586 631 HG3 MET 86 2HG MET 86 1.124 -0.755 -0.837 632 HE1 MET 86 3HE MET 86 4.931 -0.338 -0.064 633 HE2 MET 86 1HE MET 86 4.390 1.316 -0.394 634 HE3 MET 86 2HE MET 86 4.917 0.867 1.243 635 H LEU 87 H LEU 87 0.980 -1.255 -3.426 636 HA LEU 87 HA LEU 87 3.171 -0.148 -5.108 637 HG LEU 87 HG LEU 87 2.011 0.559 -7.440 638 HB2 LEU 87 1HB LEU 87 2.179 -2.198 -6.288 639 HB3 LEU 87 2HB LEU 87 0.644 -1.356 -6.289 640 HD11 LEU 87 1HD1 LEU 87 3.801 -0.249 -8.877 641 HD12 LEU 87 2HD1 LEU 87 3.589 -1.904 -8.245 642 HD13 LEU 87 3HD1 LEU 87 4.168 -0.615 -7.180 643 HD21 LEU 87 3HD2 LEU 87 1.445 -0.354 -9.654 644 HD22 LEU 87 1HD2 LEU 87 0.129 -0.612 -8.495 645 HD23 LEU 87 2HD2 LEU 87 1.198 -1.965 -8.930 646 H CYS 88 H CYS 88 2.886 1.908 -4.436 647 HA CYS 88 HA CYS 88 0.377 3.329 -5.043 648 HB2 CYS 88 1HB CYS 88 0.281 2.863 -2.637 649 HB3 CYS 88 2HB CYS 88 1.913 3.429 -2.432 650 H LEU 89 H LEU 89 0.747 5.295 -5.928 651 HA LEU 89 HA LEU 89 3.315 6.085 -6.938 652 HG LEU 89 HG LEU 89 2.357 9.263 -6.794 653 HB2 LEU 89 1HB LEU 89 1.306 6.719 -8.095 654 HB3 LEU 89 2HB LEU 89 0.634 7.481 -6.662 655 HD11 LEU 89 1HD1 LEU 89 3.059 8.082 -9.497 656 HD12 LEU 89 2HD1 LEU 89 4.089 7.989 -8.056 657 HD13 LEU 89 3HD1 LEU 89 3.688 9.574 -8.757 658 HD21 LEU 89 3HD2 LEU 89 1.525 10.401 -8.827 659 HD22 LEU 89 1HD2 LEU 89 0.200 9.697 -7.882 660 HD23 LEU 89 2HD2 LEU 89 0.776 8.892 -9.366 661 H LEU 90 H LEU 90 1.633 6.903 -3.945 662 HA LEU 90 HA LEU 90 3.700 8.923 -3.196 663 HG LEU 90 HG LEU 90 2.410 8.653 -0.145 664 HB2 LEU 90 1HB LEU 90 1.405 9.623 -2.879 665 HB3 LEU 90 2HB LEU 90 0.979 8.115 -2.100 666 HD11 LEU 90 1HD1 LEU 90 3.461 10.747 0.116 667 HD12 LEU 90 2HD1 LEU 90 2.868 11.355 -1.441 668 HD13 LEU 90 3HD1 LEU 90 4.089 10.057 -1.367 669 HD21 LEU 90 3HD2 LEU 90 0.475 10.873 -0.889 670 HD22 LEU 90 1HD2 LEU 90 1.076 10.491 0.747 671 HD23 LEU 90 2HD2 LEU 90 0.072 9.320 -0.125 672 H CYS 91 H CYS 91 1.923 6.219 -1.591 673 HA CYS 91 HA CYS 91 3.758 6.095 0.487 674 HB2 CYS 91 1HB CYS 91 1.719 4.074 -0.460 675 HB3 CYS 91 2HB CYS 91 2.500 4.007 1.112 676 H GLY 92 H GLY 92 3.688 4.196 -2.496 677 HA2 GLY 92 1HA GLY 92 6.058 3.819 -3.269 678 HA3 GLY 92 2HA GLY 92 6.355 3.062 -1.728 679 H LYS 93 H LYS 93 7.183 1.753 -3.740 680 HA LYS 93 HA LYS 93 5.263 -0.491 -4.149 681 HB2 LYS 93 1HB LYS 93 5.809 0.440 -6.262 682 HB3 LYS 93 2HB LYS 93 7.509 0.514 -5.893 683 HG2 LYS 93 1HG LYS 93 7.601 -2.012 -5.802 684 HG3 LYS 93 2HG LYS 93 5.882 -2.052 -6.223 685 HD2 LYS 93 1HD LYS 93 6.414 -0.855 -8.370 686 HD3 LYS 93 2HD LYS 93 8.133 -0.884 -7.930 687 HE2 LYS 93 1HE LYS 93 8.063 -3.371 -7.847 688 HE3 LYS 93 2HE LYS 93 6.350 -3.339 -8.287 689 HZ1 LYS 93 3HZ LYS 93 8.566 -2.324 -9.994 690 HZ2 LYS 93 1HZ LYS 93 6.982 -2.295 -10.401 691 HZ3 LYS 93 2HZ LYS 93 7.757 -3.720 -10.230 692 H ALA 94 H ALA 94 5.619 -2.180 -2.969 693 HA ALA 94 HA ALA 94 8.364 -3.043 -2.366 694 HB1 ALA 94 3HB ALA 94 7.791 -3.198 0.078 695 HB2 ALA 94 1HB ALA 94 7.727 -1.524 -0.505 696 HB3 ALA 94 2HB ALA 94 6.227 -2.449 -0.264 697 H GLU 95 H GLU 95 8.558 -5.224 -1.525 698 HA GLU 95 HA GLU 95 6.197 -6.940 -1.480 699 HB2 GLU 95 1HB GLU 95 6.740 -6.941 -3.867 700 HB3 GLU 95 2HB GLU 95 8.431 -7.309 -3.509 701 HG2 GLU 95 1HG GLU 95 7.809 -9.525 -2.652 702 HG3 GLU 95 2HG GLU 95 6.103 -9.164 -2.902 703 H ASP 96 H ASP 96 6.438 -8.654 -0.130 704 HA ASP 96 HA ASP 96 9.089 -9.461 0.848 705 HB2 ASP 96 1HB ASP 96 7.843 -7.640 2.372 706 HB3 ASP 96 2HB ASP 96 6.842 -8.988 2.834 707 H THR 97 H THR 97 9.106 -11.592 1.822 708 HA THR 97 HA THR 97 6.555 -13.067 1.758 709 HB THR 97 HB THR 97 8.979 -14.500 0.734 710 HG1 THR 97 HG1 THR 97 7.228 -12.866 -0.763 711 HG21 THR 97 3HG2 THR 97 6.002 -14.787 0.201 712 HG22 THR 97 1HG2 THR 97 6.925 -15.776 1.340 713 HG23 THR 97 2HG2 THR 97 7.274 -15.876 -0.401 714 H ILE 98 H ILE 98 6.252 -14.408 3.453 715 HA ILE 98 HA ILE 98 8.519 -14.816 5.380 716 HB ILE 98 HB ILE 98 5.620 -14.605 6.216 717 HG12 ILE 98 1HG1 ILE 98 7.597 -12.305 5.941 718 HG13 ILE 98 2HG1 ILE 98 6.033 -12.483 5.122 719 HG21 ILE 98 1HG2 ILE 98 6.565 -14.201 8.409 720 HG22 ILE 98 2HG2 ILE 98 7.319 -15.635 7.738 721 HG23 ILE 98 3HG2 ILE 98 8.207 -14.091 7.721 722 HD11 ILE 98 3HD1 ILE 98 6.501 -11.895 8.067 723 HD12 ILE 98 1HD1 ILE 98 5.746 -10.861 6.847 724 HD13 ILE 98 2HD1 ILE 98 4.915 -12.334 7.388 725 H SER 99 H SER 99 8.912 -16.923 5.892 726 HA SER 99 HA SER 99 7.013 -19.002 4.988 727 HG SER 99 HG SER 99 10.818 -19.671 6.230 728 HB2 SER 99 1HB SER 99 8.729 -20.595 5.794 729 HB3 SER 99 2HB SER 99 9.275 -19.480 4.532 730 H ILE 100 H ILE 100 5.692 -20.197 6.276 731 HA ILE 100 HA ILE 100 5.770 -19.762 9.206 732 HB ILE 100 HB ILE 100 3.299 -19.444 9.247 733 HG12 ILE 100 1HG1 ILE 100 2.239 -18.381 7.243 734 HG13 ILE 100 2HG1 ILE 100 3.564 -18.960 6.246 735 HG21 ILE 100 1HG2 ILE 100 4.949 -17.604 9.513 736 HG22 ILE 100 2HG2 ILE 100 4.805 -17.256 7.778 737 HG23 ILE 100 3HG2 ILE 100 3.399 -17.078 8.843 738 HD11 ILE 100 3HD1 ILE 100 1.610 -20.693 7.832 739 HD12 ILE 100 1HD1 ILE 100 1.538 -20.362 6.089 740 HD13 ILE 100 2HD1 ILE 100 2.881 -21.306 6.750 741 H LEU 101 H LEU 101 3.934 -21.169 10.255 742 HA LEU 101 HA LEU 101 3.897 -23.937 9.179 743 HG LEU 101 HG LEU 101 6.719 -23.138 10.025 744 HB2 LEU 101 1HB LEU 101 4.980 -22.817 11.796 745 HB3 LEU 101 2HB LEU 101 4.546 -24.513 11.668 746 HD11 LEU 101 1HD1 LEU 101 6.891 -25.095 12.353 747 HD12 LEU 101 2HD1 LEU 101 7.277 -23.360 12.415 748 HD13 LEU 101 3HD1 LEU 101 8.257 -24.445 11.418 749 HD21 LEU 101 3HD2 LEU 101 7.368 -25.458 9.405 750 HD22 LEU 101 1HD2 LEU 101 5.769 -25.048 8.785 751 HD23 LEU 101 2HD2 LEU 101 5.919 -26.081 10.226 752 HA PRO 102 HA PRO 102 -0.225 -23.950 10.871 753 HB2 PRO 102 1HB PRO 102 -0.514 -26.428 12.058 754 HB3 PRO 102 2HB PRO 102 -0.501 -26.142 10.291 755 HG2 PRO 102 1HG PRO 102 1.814 -26.994 12.054 756 HG3 PRO 102 2HG PRO 102 1.285 -27.709 10.497 757 HD2 PRO 102 1HD PRO 102 3.322 -25.949 10.589 758 HD3 PRO 102 2HD PRO 102 2.131 -25.868 9.264 759 H ASP 103 H ASP 103 2.470 -24.288 13.006 760 HA ASP 103 HA ASP 103 1.083 -23.996 15.540 761 HB2 ASP 103 1HB ASP 103 3.346 -25.066 15.132 762 HB3 ASP 103 2HB ASP 103 3.990 -23.457 14.803 763 H ASP 104 H ASP 104 1.376 -21.849 13.026 764 HA ASP 104 HA ASP 104 1.270 -19.659 12.672 765 HB2 ASP 104 1HB ASP 104 -0.875 -20.088 13.766 766 HB3 ASP 104 2HB ASP 104 -0.192 -19.609 15.320 767 HA PRO 105 HA PRO 105 4.911 -18.469 15.364 768 HB2 PRO 105 1HB PRO 105 6.898 -18.471 13.491 769 HB3 PRO 105 2HB PRO 105 6.355 -19.953 14.333 770 HG2 PRO 105 1HG PRO 105 5.500 -18.955 11.597 771 HG3 PRO 105 2HG PRO 105 6.070 -20.594 12.045 772 HD2 PRO 105 1HD PRO 105 3.412 -19.986 11.879 773 HD3 PRO 105 2HD PRO 105 4.037 -21.104 13.129 774 H ARG 106 H ARG 106 3.607 -17.307 12.343 775 HA ARG 106 HA ARG 106 3.632 -15.343 11.200 776 HE ARG 106 HE ARG 106 2.954 -12.479 16.755 777 HB2 ARG 106 1HB ARG 106 2.487 -13.563 12.431 778 HB3 ARG 106 2HB ARG 106 1.800 -15.155 12.633 779 HG2 ARG 106 1HG ARG 106 1.656 -14.017 14.704 780 HG3 ARG 106 2HG ARG 106 2.792 -15.343 14.892 781 HD2 ARG 106 1HD ARG 106 4.688 -13.704 14.715 782 HD3 ARG 106 2HD ARG 106 3.517 -12.408 14.491 783 HH11 ARG 106 1HH1 ARG 106 5.140 -15.170 16.126 784 HH12 ARG 106 2HH1 ARG 106 5.456 -15.400 17.828 785 HH21 ARG 106 1HH2 ARG 106 3.393 -12.869 18.889 786 HH22 ARG 106 2HH2 ARG 106 4.480 -14.149 19.339 787 H GLN 107 H GLN 107 6.375 -15.861 12.027 788 HA GLN 107 HA GLN 107 7.770 -13.654 12.936 789 HB2 GLN 107 1HB GLN 107 9.727 -14.605 11.977 790 HB3 GLN 107 2HB GLN 107 8.699 -15.913 12.550 791 HG2 GLN 107 1HG GLN 107 7.927 -16.297 10.182 792 HG3 GLN 107 2HG GLN 107 9.030 -15.034 9.640 793 HE21 GLN 107 1HE2 GLN 107 9.004 -17.993 8.999 794 HE22 GLN 107 2HE2 GLN 107 10.623 -18.517 9.444 Start of MODEL 16 1 HA CYS 2 HA CYS 2 -1.426 14.755 -10.630 2 H1 CYS 2 1H CYS 2 -1.250 15.544 -7.911 3 HB2 CYS 2 1HB CYS 2 -0.292 17.171 -10.766 4 HB3 CYS 2 2HB CYS 2 -1.981 16.912 -10.427 5 H GLY 3 H GLY 3 0.649 13.527 -8.702 6 HA2 GLY 3 1HA GLY 3 2.621 12.353 -8.973 7 HA3 GLY 3 2HA GLY 3 2.775 12.919 -10.628 8 H ASP 4 H ASP 4 2.594 15.781 -9.908 9 HA ASP 4 HA ASP 4 5.310 16.363 -9.007 10 HB2 ASP 4 1HB ASP 4 2.833 18.037 -9.529 11 HB3 ASP 4 2HB ASP 4 4.304 18.733 -8.846 12 H CYS 5 H CYS 5 2.320 15.623 -7.415 13 HA CYS 5 HA CYS 5 2.635 16.872 -4.914 14 HB2 CYS 5 1HB CYS 5 1.288 14.237 -5.718 15 HB3 CYS 5 2HB CYS 5 1.235 14.886 -4.121 16 H VAL 6 H VAL 6 4.276 14.037 -6.290 17 HA VAL 6 HA VAL 6 5.296 13.223 -3.583 18 HB VAL 6 HB VAL 6 5.643 11.060 -4.373 19 HG11 VAL 6 1HG1 VAL 6 3.341 10.334 -4.778 20 HG12 VAL 6 2HG1 VAL 6 3.396 11.606 -3.552 21 HG13 VAL 6 3HG1 VAL 6 2.861 11.975 -5.204 22 HG21 VAL 6 3HG2 VAL 6 6.193 11.448 -6.793 23 HG22 VAL 6 1HG2 VAL 6 5.004 10.179 -6.519 24 HG23 VAL 6 2HG2 VAL 6 4.467 11.765 -7.083 25 H GLU 7 H GLU 7 7.482 13.071 -3.171 26 HA GLU 7 HA GLU 7 9.386 14.504 -4.778 27 HB2 GLU 7 1HB GLU 7 9.614 14.340 -2.336 28 HB3 GLU 7 2HB GLU 7 9.730 12.606 -2.414 29 HG2 GLU 7 1HG GLU 7 11.835 12.834 -3.720 30 HG3 GLU 7 2HG GLU 7 11.732 14.589 -3.504 31 H LYS 8 H LYS 8 8.711 11.041 -4.316 32 HA LYS 8 HA LYS 8 10.174 10.337 -6.829 33 HB2 LYS 8 1HB LYS 8 10.061 8.736 -4.234 34 HB3 LYS 8 2HB LYS 8 10.868 8.246 -5.726 35 HG2 LYS 8 1HG LYS 8 12.396 10.271 -5.437 36 HG3 LYS 8 2HG LYS 8 11.646 10.514 -3.844 37 HD2 LYS 8 1HD LYS 8 12.343 8.176 -3.206 38 HD3 LYS 8 2HD LYS 8 13.139 8.035 -4.776 39 HE2 LYS 8 1HE LYS 8 14.893 8.592 -3.358 40 HE3 LYS 8 2HE LYS 8 14.499 10.125 -4.137 41 HZ1 LYS 8 3HZ LYS 8 13.567 9.312 -1.426 42 HZ2 LYS 8 1HZ LYS 8 13.305 10.784 -2.095 43 HZ3 LYS 8 2HZ LYS 8 14.811 10.322 -1.713 44 H GLU 9 H GLU 9 9.085 8.891 -8.117 45 HA GLU 9 HA GLU 9 6.249 8.285 -7.527 46 HB2 GLU 9 1HB GLU 9 8.121 7.860 -9.890 47 HB3 GLU 9 2HB GLU 9 6.542 7.074 -9.831 48 HG2 GLU 9 1HG GLU 9 5.347 8.968 -10.107 49 HG3 GLU 9 2HG GLU 9 6.541 10.024 -9.351 50 H TYR 10 H TYR 10 5.643 6.467 -6.477 51 HA TYR 10 HA TYR 10 5.779 4.473 -5.369 52 HD1 TYR 10 HD1 TYR 10 5.392 5.382 -9.117 53 HD2 TYR 10 HD2 TYR 10 3.784 2.067 -6.839 54 HE1 TYR 10 HE1 TYR 10 3.200 5.758 -10.142 55 HE2 TYR 10 HE2 TYR 10 1.544 2.506 -7.839 56 HH TYR 10 HH TYR 10 1.000 5.059 -10.288 57 HB2 TYR 10 1HB TYR 10 6.874 3.457 -7.995 58 HB3 TYR 10 2HB TYR 10 6.097 2.527 -6.746 59 HA PRO 11 HA PRO 11 10.354 4.873 -4.391 60 HB2 PRO 11 1HB PRO 11 10.034 5.575 -1.751 61 HB3 PRO 11 2HB PRO 11 9.999 6.774 -3.096 62 HG2 PRO 11 1HG PRO 11 7.631 5.435 -1.759 63 HG3 PRO 11 2HG PRO 11 7.930 7.183 -2.001 64 HD2 PRO 11 1HD PRO 11 6.418 5.837 -3.759 65 HD3 PRO 11 2HD PRO 11 7.638 6.964 -4.382 66 H ASN 12 H ASN 12 11.562 3.156 -3.301 67 HA ASN 12 HA ASN 12 9.895 0.885 -2.434 68 HB2 ASN 12 1HB ASN 12 12.933 1.260 -2.483 69 HB3 ASN 12 2HB ASN 12 12.091 -0.240 -2.096 70 HD21 ASN 12 1HD2 ASN 12 10.185 -0.611 -4.018 71 HD22 ASN 12 2HD2 ASN 12 10.957 -0.604 -5.599 72 H ARG 13 H ARG 13 9.762 0.050 -0.361 73 HA ARG 13 HA ARG 13 10.497 1.937 1.863 74 HE ARG 13 HE ARG 13 9.101 3.964 3.469 75 HB2 ARG 13 1HB ARG 13 7.996 0.221 1.550 76 HB3 ARG 13 2HB ARG 13 8.348 1.285 2.910 77 HG2 ARG 13 1HG ARG 13 7.893 2.175 0.042 78 HG3 ARG 13 2HG ARG 13 6.758 2.292 1.376 79 HD2 ARG 13 1HD ARG 13 9.443 3.718 1.193 80 HD3 ARG 13 2HD ARG 13 7.893 4.460 0.888 81 HH11 ARG 13 1HH1 ARG 13 5.962 4.372 1.963 82 HH12 ARG 13 2HH1 ARG 13 5.171 4.653 3.495 83 HH21 ARG 13 1HH2 ARG 13 8.037 4.370 5.369 84 HH22 ARG 13 2HH2 ARG 13 6.329 4.682 5.362 85 H GLY 14 H GLY 14 12.099 -0.343 1.018 86 HA2 GLY 14 1HA GLY 14 13.337 -2.034 2.044 87 HA3 GLY 14 2HA GLY 14 12.874 -1.301 3.589 88 H ASN 15 H ASN 15 10.917 -2.821 1.061 89 HA ASN 15 HA ASN 15 9.489 -4.520 0.939 90 HB2 ASN 15 1HB ASN 15 10.918 -5.830 3.283 91 HB3 ASN 15 2HB ASN 15 10.001 -6.612 2.016 92 HD21 ASN 15 1HD2 ASN 15 10.944 -6.895 -0.078 93 HD22 ASN 15 2HD2 ASN 15 12.683 -6.665 -0.300 94 H THR 16 H THR 16 8.780 -2.209 2.780 95 HA THR 16 HA THR 16 6.956 -3.417 4.784 96 HB THR 16 HB THR 16 7.532 -0.536 3.990 97 HG1 THR 16 HG1 THR 16 9.240 -1.188 5.031 98 HG21 THR 16 3HG2 THR 16 5.823 -1.638 6.242 99 HG22 THR 16 1HG2 THR 16 5.362 -0.482 4.957 100 HG23 THR 16 2HG2 THR 16 6.487 0.012 6.218 101 H CYS 17 H CYS 17 4.864 -4.050 4.199 102 HA CYS 17 HA CYS 17 3.518 -2.607 1.959 103 HG CYS 17 HG CYS 17 4.649 -4.068 0.116 104 HB2 CYS 17 1HB CYS 17 3.283 -5.520 2.783 105 HB3 CYS 17 2HB CYS 17 2.448 -4.754 1.427 106 H LEU 18 H LEU 18 2.028 -1.304 2.812 107 HA LEU 18 HA LEU 18 0.360 -2.137 5.165 108 HG LEU 18 HG LEU 18 1.010 -0.498 7.184 109 HB2 LEU 18 1HB LEU 18 1.751 0.412 4.389 110 HB3 LEU 18 2HB LEU 18 0.229 0.535 5.227 111 HD11 LEU 18 1HD1 LEU 18 2.332 -2.334 6.531 112 HD12 LEU 18 2HD1 LEU 18 3.433 -1.263 7.399 113 HD13 LEU 18 3HD1 LEU 18 3.454 -1.307 5.616 114 HD21 LEU 18 3HD2 LEU 18 1.686 1.857 6.801 115 HD22 LEU 18 1HD2 LEU 18 3.234 1.295 6.128 116 HD23 LEU 18 2HD2 LEU 18 2.836 0.993 7.834 117 H GLU 19 H GLU 19 -1.702 -1.756 5.252 118 HA GLU 19 HA GLU 19 -3.206 -1.195 2.760 119 HB2 GLU 19 1HB GLU 19 -5.075 -2.161 3.875 120 HB3 GLU 19 2HB GLU 19 -3.736 -3.249 4.085 121 HG2 GLU 19 1HG GLU 19 -4.629 -1.276 6.227 122 HG3 GLU 19 2HG GLU 19 -5.291 -2.892 6.045 123 H ASN 20 H ASN 20 -2.081 0.633 5.348 124 HA ASN 20 HA ASN 20 -4.111 2.736 4.872 125 HB2 ASN 20 1HB ASN 20 -3.661 1.329 7.521 126 HB3 ASN 20 2HB ASN 20 -4.106 3.026 7.513 127 HD21 ASN 20 1HD2 ASN 20 -5.549 0.279 8.134 128 HD22 ASN 20 2HD2 ASN 20 -7.120 0.594 7.415 129 H GLY 21 H GLY 21 -3.505 4.822 5.484 130 HA2 GLY 21 1HA GLY 21 -1.960 6.297 6.719 131 HA3 GLY 21 2HA GLY 21 -0.621 5.303 6.160 132 H SER 22 H SER 22 -0.027 7.620 5.674 133 HA SER 22 HA SER 22 -0.162 8.103 2.778 134 HG SER 22 HG SER 22 -2.690 8.929 3.921 135 HB2 SER 22 1HB SER 22 -0.992 10.235 4.803 136 HB3 SER 22 2HB SER 22 -0.497 10.565 3.141 137 H PHE 23 H PHE 23 1.959 8.214 2.259 138 HA PHE 23 HA PHE 23 3.940 8.566 4.293 139 HD1 PHE 23 HD1 PHE 23 5.976 8.157 4.674 140 HD2 PHE 23 HD2 PHE 23 6.308 7.272 0.465 141 HE1 PHE 23 HE1 PHE 23 8.399 7.773 4.933 142 HE2 PHE 23 HE2 PHE 23 8.746 6.939 0.727 143 HZ PHE 23 HZ PHE 23 9.812 7.273 2.965 144 HB2 PHE 23 1HB PHE 23 4.012 6.961 2.453 145 HB3 PHE 23 2HB PHE 23 4.271 8.247 1.301 146 H LEU 24 H LEU 24 3.469 10.649 5.043 147 HA LEU 24 HA LEU 24 3.679 13.044 3.707 148 HG LEU 24 HG LEU 24 2.340 11.667 6.460 149 HB2 LEU 24 1HB LEU 24 4.601 12.504 6.559 150 HB3 LEU 24 2HB LEU 24 4.132 14.057 5.893 151 HD11 LEU 24 1HD1 LEU 24 2.958 13.081 8.382 152 HD12 LEU 24 2HD1 LEU 24 1.232 13.207 8.002 153 HD13 LEU 24 3HD1 LEU 24 2.340 14.515 7.530 154 HD21 LEU 24 3HD2 LEU 24 1.572 14.286 5.104 155 HD22 LEU 24 1HD2 LEU 24 0.431 13.067 5.722 156 HD23 LEU 24 2HD2 LEU 24 1.499 12.658 4.384 157 H LEU 25 H LEU 25 6.393 11.053 4.565 158 HA LEU 25 HA LEU 25 8.434 13.125 4.253 159 HG LEU 25 HG LEU 25 8.196 11.478 6.604 160 HB2 LEU 25 1HB LEU 25 8.441 10.116 4.496 161 HB3 LEU 25 2HB LEU 25 9.927 10.958 4.137 162 HD11 LEU 25 1HD1 LEU 25 9.969 10.280 7.836 163 HD12 LEU 25 2HD1 LEU 25 10.787 9.902 6.302 164 HD13 LEU 25 3HD1 LEU 25 9.179 9.229 6.656 165 HD21 LEU 25 3HD2 LEU 25 11.013 12.414 5.887 166 HD22 LEU 25 1HD2 LEU 25 10.233 12.625 7.469 167 HD23 LEU 25 2HD2 LEU 25 9.573 13.446 6.056 168 H ASN 26 H ASN 26 6.611 11.264 1.984 169 HA ASN 26 HA ASN 26 8.537 11.897 -0.249 170 HB2 ASN 26 1HB ASN 26 7.770 9.533 0.070 171 HB3 ASN 26 2HB ASN 26 6.114 10.038 -0.201 172 HD21 ASN 26 1HD2 ASN 26 5.899 8.776 -2.201 173 HD22 ASN 26 2HD2 ASN 26 6.810 9.254 -3.640 174 H PHE 27 H PHE 27 5.235 12.435 1.027 175 HA PHE 27 HA PHE 27 4.265 13.871 -1.270 176 HD1 PHE 27 HD1 PHE 27 2.137 14.399 -1.918 177 HD2 PHE 27 HD2 PHE 27 1.955 15.862 2.122 178 HE1 PHE 27 HE1 PHE 27 0.315 15.993 -2.593 179 HE2 PHE 27 HE2 PHE 27 0.187 17.484 1.439 180 HZ PHE 27 HZ PHE 27 -0.667 17.496 -0.885 181 HB2 PHE 27 1HB PHE 27 2.778 12.975 0.440 182 HB3 PHE 27 2HB PHE 27 3.416 14.091 1.633 183 H THR 28 H THR 28 5.326 15.585 -2.094 184 HA THR 28 HA THR 28 6.772 17.511 -0.361 185 HB THR 28 HB THR 28 7.336 18.637 -2.544 186 HG1 THR 28 HG1 THR 28 5.685 17.944 -3.880 187 HG21 THR 28 3HG2 THR 28 8.863 16.871 -3.298 188 HG22 THR 28 1HG2 THR 28 7.932 15.667 -2.383 189 HG23 THR 28 2HG2 THR 28 8.823 16.942 -1.525 190 H GLY 29 H GLY 29 3.604 17.175 -1.256 191 HA2 GLY 29 1HA GLY 29 1.913 18.704 -0.519 192 HA3 GLY 29 2HA GLY 29 2.935 20.075 -0.899 193 H CYS 30 H CYS 30 0.250 19.444 -1.893 194 HA CYS 30 HA CYS 30 0.111 18.334 -4.403 195 HB2 CYS 30 1HB CYS 30 -1.738 19.103 -2.791 196 HB3 CYS 30 2HB CYS 30 -1.541 20.703 -3.464 197 H ALA 31 H ALA 31 -0.512 19.339 -6.381 198 HA ALA 31 HA ALA 31 0.938 21.874 -6.990 199 HB1 ALA 31 3HB ALA 31 0.884 19.778 -9.109 200 HB2 ALA 31 1HB ALA 31 1.975 21.140 -8.893 201 HB3 ALA 31 2HB ALA 31 2.133 19.713 -7.826 202 H VAL 32 H VAL 32 -2.066 20.208 -7.092 203 HA VAL 32 HA VAL 32 -3.149 21.816 -9.275 204 HB VAL 32 HB VAL 32 -4.445 20.061 -7.154 205 HG11 VAL 32 1HG1 VAL 32 -6.054 21.884 -7.500 206 HG12 VAL 32 2HG1 VAL 32 -5.944 21.670 -9.264 207 HG13 VAL 32 3HG1 VAL 32 -6.629 20.387 -8.227 208 HG21 VAL 32 3HG2 VAL 32 -3.449 18.920 -9.108 209 HG22 VAL 32 1HG2 VAL 32 -5.204 18.745 -9.080 210 HG23 VAL 32 2HG2 VAL 32 -4.444 19.903 -10.202 211 H CYS 33 H CYS 33 -2.860 22.042 -5.754 212 HA CYS 33 HA CYS 33 -3.776 24.879 -5.838 213 HB2 CYS 33 1HB CYS 33 -4.837 24.528 -3.739 214 HB3 CYS 33 2HB CYS 33 -5.456 23.335 -4.894 215 H SER 34 H SER 34 -1.221 22.794 -4.806 216 HA SER 34 HA SER 34 0.839 23.275 -3.970 217 HG SER 34 HG SER 34 2.373 26.307 -4.108 218 HB2 SER 34 1HB SER 34 0.384 25.592 -4.993 219 HB3 SER 34 2HB SER 34 0.221 26.121 -3.308 220 H LYS 35 H LYS 35 -1.449 22.376 -2.151 221 HA LYS 35 HA LYS 35 -0.527 23.380 0.517 222 HB2 LYS 35 1HB LYS 35 -2.864 21.700 -0.422 223 HB3 LYS 35 2HB LYS 35 -2.437 21.847 1.272 224 HG2 LYS 35 1HG LYS 35 -2.506 24.512 0.077 225 HG3 LYS 35 2HG LYS 35 -4.005 23.648 -0.271 226 HD2 LYS 35 1HD LYS 35 -4.407 23.205 2.053 227 HD3 LYS 35 2HD LYS 35 -2.806 23.857 2.503 228 HE2 LYS 35 1HE LYS 35 -3.504 26.082 1.572 229 HE3 LYS 35 2HE LYS 35 -5.104 25.419 1.219 230 HZ1 LYS 35 3HZ LYS 35 -3.907 25.643 3.933 231 HZ2 LYS 35 1HZ LYS 35 -5.391 25.031 3.613 232 HZ3 LYS 35 2HZ LYS 35 -5.078 26.610 3.338 233 H ARG 36 H ARG 36 0.516 22.217 2.017 234 HA ARG 36 HA ARG 36 1.259 19.352 1.502 235 HE ARG 36 HE ARG 36 6.377 19.909 4.193 236 HB2 ARG 36 1HB ARG 36 3.165 20.842 1.326 237 HB3 ARG 36 2HB ARG 36 2.861 21.430 2.967 238 HG2 ARG 36 1HG ARG 36 3.482 19.407 3.970 239 HG3 ARG 36 2HG ARG 36 3.255 18.462 2.483 240 HD2 ARG 36 1HD ARG 36 5.287 18.940 1.656 241 HD3 ARG 36 2HD ARG 36 5.298 20.585 2.285 242 HH11 ARG 36 1HH1 ARG 36 5.380 16.908 2.623 243 HH12 ARG 36 2HH1 ARG 36 6.031 15.936 3.884 244 HH21 ARG 36 1HH2 ARG 36 7.277 18.578 5.712 245 HH22 ARG 36 2HH2 ARG 36 7.108 16.854 5.559 246 H ASP 37 H ASP 37 1.518 18.072 3.512 247 HA ASP 37 HA ASP 37 0.476 17.003 5.181 248 HB2 ASP 37 1HB ASP 37 0.484 17.990 7.319 249 HB3 ASP 37 2HB ASP 37 1.950 18.367 6.437 250 H PHE 38 H PHE 38 -1.229 18.031 3.257 251 HA PHE 38 HA PHE 38 -3.898 18.104 4.581 252 HD1 PHE 38 HD1 PHE 38 -2.335 20.509 5.192 253 HD2 PHE 38 HD2 PHE 38 -5.897 20.899 2.801 254 HE1 PHE 38 HE1 PHE 38 -3.068 22.414 6.587 255 HE2 PHE 38 HE2 PHE 38 -6.626 22.814 4.182 256 HZ PHE 38 HZ PHE 38 -5.218 23.571 6.106 257 HB2 PHE 38 1HB PHE 38 -2.756 19.760 2.379 258 HB3 PHE 38 2HB PHE 38 -4.418 19.256 2.236 259 H MET 39 H MET 39 -4.428 16.007 4.454 260 HA MET 39 HA MET 39 -5.315 15.059 1.892 261 HB2 MET 39 1HB MET 39 -4.105 12.821 1.993 262 HB3 MET 39 2HB MET 39 -3.232 14.193 1.394 263 HG2 MET 39 1HG MET 39 -2.858 13.933 4.298 264 HG3 MET 39 2HG MET 39 -2.517 12.412 3.491 265 HE1 MET 39 3HE MET 39 -1.125 13.530 0.582 266 HE2 MET 39 1HE MET 39 0.481 13.126 1.221 267 HE3 MET 39 2HE MET 39 -0.904 12.081 1.586 268 H LEU 40 H LEU 40 -6.606 13.411 1.836 269 HA LEU 40 HA LEU 40 -7.800 12.130 4.255 270 HG LEU 40 HG LEU 40 -10.382 14.733 3.343 271 HB2 LEU 40 1HB LEU 40 -8.990 13.657 1.917 272 HB3 LEU 40 2HB LEU 40 -9.870 12.312 2.536 273 HD11 LEU 40 1HD1 LEU 40 -11.563 12.675 4.082 274 HD12 LEU 40 2HD1 LEU 40 -11.315 13.778 5.440 275 HD13 LEU 40 3HD1 LEU 40 -10.270 12.350 5.259 276 HD21 LEU 40 3HD2 LEU 40 -8.358 13.931 5.437 277 HD22 LEU 40 1HD2 LEU 40 -9.479 15.295 5.504 278 HD23 LEU 40 2HD2 LEU 40 -8.206 15.262 4.263 279 H ILE 41 H ILE 41 -9.011 10.154 3.614 280 HA ILE 41 HA ILE 41 -8.044 8.775 1.155 281 HB ILE 41 HB ILE 41 -8.255 7.700 3.984 282 HG12 ILE 41 1HG1 ILE 41 -5.889 7.666 2.049 283 HG13 ILE 41 2HG1 ILE 41 -6.113 8.865 3.321 284 HG21 ILE 41 1HG2 ILE 41 -7.640 5.447 2.928 285 HG22 ILE 41 2HG2 ILE 41 -9.256 6.005 2.546 286 HG23 ILE 41 3HG2 ILE 41 -7.967 6.176 1.345 287 HD11 ILE 41 3HD1 ILE 41 -6.118 7.008 5.027 288 HD12 ILE 41 1HD1 ILE 41 -5.607 5.901 3.729 289 HD13 ILE 41 2HD1 ILE 41 -4.587 7.273 4.180 290 H THR 42 H THR 42 -9.662 7.869 0.027 291 HA THR 42 HA THR 42 -12.261 7.284 1.259 292 HB THR 42 HB THR 42 -12.158 9.775 0.408 293 HG1 THR 42 HG1 THR 42 -14.363 9.573 0.058 294 HG21 THR 42 3HG2 THR 42 -12.617 10.241 -1.798 295 HG22 THR 42 1HG2 THR 42 -13.278 8.638 -2.140 296 HG23 THR 42 2HG2 THR 42 -11.530 8.849 -2.018 297 H ASN 43 H ASN 43 -13.814 6.531 -0.577 298 HA ASN 43 HA ASN 43 -14.336 4.893 -2.086 299 HB2 ASN 43 1HB ASN 43 -13.725 6.718 -3.489 300 HB3 ASN 43 2HB ASN 43 -12.017 6.386 -3.356 301 HD21 ASN 43 1HD2 ASN 43 -11.181 5.621 -5.176 302 HD22 ASN 43 2HD2 ASN 43 -12.053 4.616 -6.340 303 H LYS 44 H LYS 44 -12.279 4.230 0.035 304 HA LYS 44 HA LYS 44 -10.489 2.227 -0.746 305 HB2 LYS 44 1HB LYS 44 -10.755 3.471 1.497 306 HB3 LYS 44 2HB LYS 44 -12.026 2.294 1.863 307 HG2 LYS 44 1HG LYS 44 -10.339 0.437 1.500 308 HG3 LYS 44 2HG LYS 44 -9.105 1.679 1.323 309 HD2 LYS 44 1HD LYS 44 -9.836 2.529 3.666 310 HD3 LYS 44 2HD LYS 44 -10.737 1.008 3.780 311 HE2 LYS 44 1HE LYS 44 -8.682 0.480 4.790 312 HE3 LYS 44 2HE LYS 44 -8.519 -0.165 3.154 313 HZ1 LYS 44 3HZ LYS 44 -7.350 2.032 2.633 314 HZ2 LYS 44 1HZ LYS 44 -6.539 1.052 3.662 315 HZ3 LYS 44 2HZ LYS 44 -7.331 2.318 4.262 316 H SER 45 H SER 45 -10.816 0.445 -1.755 317 HA SER 45 HA SER 45 -13.240 -1.228 -1.271 318 HG SER 45 HG SER 45 -12.979 0.572 -3.571 319 HB2 SER 45 1HB SER 45 -11.339 -1.016 -3.653 320 HB3 SER 45 2HB SER 45 -12.588 -2.256 -3.492 321 H LEU 46 H LEU 46 -13.000 -3.474 -1.210 322 HA LEU 46 HA LEU 46 -10.341 -4.588 -0.634 323 HG LEU 46 HG LEU 46 -10.454 -6.614 1.014 324 HB2 LEU 46 1HB LEU 46 -11.041 -3.998 1.534 325 HB3 LEU 46 2HB LEU 46 -12.678 -4.579 1.294 326 HD11 LEU 46 1HD1 LEU 46 -11.376 -5.553 3.720 327 HD12 LEU 46 2HD1 LEU 46 -9.760 -5.330 3.014 328 HD13 LEU 46 3HD1 LEU 46 -10.311 -6.953 3.442 329 HD21 LEU 46 3HD2 LEU 46 -12.802 -7.361 0.789 330 HD22 LEU 46 1HD2 LEU 46 -13.164 -6.722 2.405 331 HD23 LEU 46 2HD2 LEU 46 -12.032 -8.077 2.201 332 H LYS 47 H LYS 47 -10.085 -6.623 -1.295 333 HA LYS 47 HA LYS 47 -12.374 -8.149 -2.403 334 HB2 LYS 47 1HB LYS 47 -10.480 -6.763 -3.956 335 HB3 LYS 47 2HB LYS 47 -9.852 -8.396 -3.920 336 HG2 LYS 47 1HG LYS 47 -12.179 -9.181 -4.606 337 HG3 LYS 47 2HG LYS 47 -12.597 -7.470 -4.802 338 HD2 LYS 47 1HD LYS 47 -12.089 -8.248 -6.977 339 HD3 LYS 47 2HD LYS 47 -10.659 -7.321 -6.484 340 HE2 LYS 47 1HE LYS 47 -9.509 -9.433 -5.860 341 HE3 LYS 47 2HE LYS 47 -10.974 -10.350 -6.223 342 HZ1 LYS 47 3HZ LYS 47 -9.301 -8.900 -8.197 343 HZ2 LYS 47 1HZ LYS 47 -10.736 -9.609 -8.557 344 HZ3 LYS 47 2HZ LYS 47 -9.490 -10.530 -8.036 345 H GLU 48 H GLU 48 -12.152 -10.391 -2.404 346 HA GLU 48 HA GLU 48 -9.686 -11.507 -1.131 347 HB2 GLU 48 1HB GLU 48 -12.498 -12.062 -0.112 348 HB3 GLU 48 2HB GLU 48 -11.027 -12.882 0.413 349 HG2 GLU 48 1HG GLU 48 -10.143 -10.728 1.283 350 HG3 GLU 48 2HG GLU 48 -11.648 -9.937 0.817 351 H GLU 49 H GLU 49 -8.950 -13.028 -2.451 352 HA GLU 49 HA GLU 49 -10.846 -14.956 -3.730 353 HB2 GLU 49 1HB GLU 49 -8.291 -13.859 -4.943 354 HB3 GLU 49 2HB GLU 49 -9.183 -15.277 -5.518 355 HG2 GLU 49 1HG GLU 49 -11.216 -13.818 -5.818 356 HG3 GLU 49 2HG GLU 49 -10.227 -12.416 -5.402 357 H ASP 50 H ASP 50 -10.654 -16.931 -2.990 358 HA ASP 50 HA ASP 50 -9.867 -18.794 -1.922 359 HB2 ASP 50 1HB ASP 50 -9.152 -18.704 -4.393 360 HB3 ASP 50 2HB ASP 50 -7.532 -18.325 -3.813 361 H GLY 51 H GLY 51 -8.742 -16.377 -0.530 362 HA2 GLY 51 1HA GLY 51 -7.672 -16.742 1.718 363 HA3 GLY 51 2HA GLY 51 -6.374 -17.612 0.890 364 H GLU 52 H GLU 52 -6.663 -15.489 -1.370 365 HA GLU 52 HA GLU 52 -4.658 -13.619 -0.380 366 HB2 GLU 52 1HB GLU 52 -4.561 -14.445 -2.701 367 HB3 GLU 52 2HB GLU 52 -6.196 -13.819 -2.997 368 HG2 GLU 52 1HG GLU 52 -5.352 -11.487 -2.658 369 HG3 GLU 52 2HG GLU 52 -3.738 -12.124 -2.497 370 H GLU 53 H GLU 53 -4.977 -11.539 0.218 371 HA GLU 53 HA GLU 53 -7.754 -10.422 0.239 372 HB2 GLU 53 1HB GLU 53 -5.538 -10.024 2.293 373 HB3 GLU 53 2HB GLU 53 -7.084 -9.168 2.257 374 HG2 GLU 53 1HG GLU 53 -8.275 -11.351 2.526 375 HG3 GLU 53 2HG GLU 53 -6.718 -12.170 2.643 376 H ILE 54 H ILE 54 -7.977 -8.531 -0.850 377 HA ILE 54 HA ILE 54 -5.505 -7.037 -1.583 378 HB ILE 54 HB ILE 54 -7.981 -7.306 -3.329 379 HG12 ILE 54 1HG1 ILE 54 -6.040 -8.501 -4.797 380 HG13 ILE 54 2HG1 ILE 54 -5.410 -8.921 -3.212 381 HG21 ILE 54 1HG2 ILE 54 -6.391 -6.288 -4.997 382 HG22 ILE 54 2HG2 ILE 54 -6.806 -5.240 -3.642 383 HG23 ILE 54 3HG2 ILE 54 -5.240 -6.080 -3.651 384 HD11 ILE 54 3HD1 ILE 54 -8.166 -9.619 -4.327 385 HD12 ILE 54 1HD1 ILE 54 -6.812 -10.710 -4.203 386 HD13 ILE 54 2HD1 ILE 54 -7.579 -10.111 -2.723 387 H VAL 55 H VAL 55 -5.546 -4.857 -1.320 388 HA VAL 55 HA VAL 55 -8.102 -3.513 -0.538 389 HB VAL 55 HB VAL 55 -5.389 -3.074 0.778 390 HG11 VAL 55 1HG1 VAL 55 -6.741 -1.046 0.696 391 HG12 VAL 55 2HG1 VAL 55 -8.131 -1.915 1.407 392 HG13 VAL 55 3HG1 VAL 55 -6.631 -1.665 2.347 393 HG21 VAL 55 3HG2 VAL 55 -6.255 -5.203 1.569 394 HG22 VAL 55 1HG2 VAL 55 -6.487 -3.999 2.840 395 HG23 VAL 55 2HG2 VAL 55 -7.868 -4.495 1.828 396 H THR 56 H THR 56 -8.485 -1.966 -1.986 397 HA THR 56 HA THR 56 -6.173 -0.432 -3.095 398 HB THR 56 HB THR 56 -7.186 -0.242 -5.226 399 HG1 THR 56 HG1 THR 56 -9.028 -1.462 -5.739 400 HG21 THR 56 3HG2 THR 56 -5.739 -2.273 -4.633 401 HG22 THR 56 1HG2 THR 56 -6.807 -2.479 -6.032 402 HG23 THR 56 2HG2 THR 56 -7.241 -3.204 -4.473 403 H TYR 57 H TYR 57 -6.277 1.765 -3.032 404 HA TYR 57 HA TYR 57 -8.851 3.141 -2.622 405 HD1 TYR 57 HD1 TYR 57 -6.336 1.154 0.106 406 HD2 TYR 57 HD2 TYR 57 -6.339 5.462 -0.057 407 HE1 TYR 57 HE1 TYR 57 -4.301 1.229 1.548 408 HE2 TYR 57 HE2 TYR 57 -4.325 5.530 1.380 409 HH TYR 57 HH TYR 57 -2.810 4.321 2.568 410 HB2 TYR 57 1HB TYR 57 -8.393 4.153 -0.554 411 HB3 TYR 57 2HB TYR 57 -8.383 2.429 -0.419 412 H ASP 58 H ASP 58 -8.064 5.609 -1.835 413 HA ASP 58 HA ASP 58 -5.942 6.535 -3.719 414 HB2 ASP 58 1HB ASP 58 -8.730 7.736 -3.349 415 HB3 ASP 58 2HB ASP 58 -7.477 8.351 -4.408 416 H HIS 59 H HIS 59 -5.219 8.661 -3.195 417 HA HIS 59 HA HIS 59 -5.797 9.667 -0.429 418 HD1 HIS 59 HD1 HIS 59 -2.844 9.050 1.407 419 HD2 HIS 59 HD2 HIS 59 -2.675 7.651 -2.564 420 HE1 HIS 59 HE1 HIS 59 -1.425 6.953 1.431 421 HB2 HIS 59 1HB HIS 59 -3.371 10.258 -2.153 422 HB3 HIS 59 2HB HIS 59 -3.646 10.764 -0.496 423 H LEU 60 H LEU 60 -6.507 11.781 -0.302 424 HA LEU 60 HA LEU 60 -6.977 13.296 -2.831 425 HG LEU 60 HG LEU 60 -8.957 12.183 -3.661 426 HB2 LEU 60 1HB LEU 60 -9.004 12.639 -0.649 427 HB3 LEU 60 2HB LEU 60 -9.174 13.969 -1.779 428 HD11 LEU 60 1HD1 LEU 60 -8.421 10.197 -2.207 429 HD12 LEU 60 2HD1 LEU 60 -9.935 9.970 -3.065 430 HD13 LEU 60 3HD1 LEU 60 -9.939 10.446 -1.336 431 HD21 LEU 60 3HD2 LEU 60 -10.964 13.509 -3.135 432 HD22 LEU 60 1HD2 LEU 60 -11.412 12.356 -1.866 433 HD23 LEU 60 2HD2 LEU 60 -11.393 11.851 -3.577 434 H CYS 61 H CYS 61 -6.480 15.392 -2.697 435 HA CYS 61 HA CYS 61 -5.135 16.544 -0.496 436 HB2 CYS 61 1HB CYS 61 -5.105 17.078 -2.999 437 HB3 CYS 61 2HB CYS 61 -6.624 17.935 -2.768 438 H LYS 62 H LYS 62 -5.857 17.359 1.406 439 HA LYS 62 HA LYS 62 -8.667 17.489 2.070 440 HB2 LYS 62 1HB LYS 62 -7.092 17.064 3.806 441 HB3 LYS 62 2HB LYS 62 -6.118 18.451 3.392 442 HG2 LYS 62 1HG LYS 62 -7.154 18.867 5.477 443 HG3 LYS 62 2HG LYS 62 -7.804 19.988 4.294 444 HD2 LYS 62 1HD LYS 62 -9.828 18.452 4.080 445 HD3 LYS 62 2HD LYS 62 -9.139 17.496 5.408 446 HE2 LYS 62 1HE LYS 62 -9.128 19.522 6.854 447 HE3 LYS 62 2HE LYS 62 -9.837 20.463 5.536 448 HZ1 LYS 62 3HZ LYS 62 -11.801 19.021 5.650 449 HZ2 LYS 62 1HZ LYS 62 -11.531 19.707 7.102 450 HZ3 LYS 62 2HZ LYS 62 -11.143 18.142 6.863 451 H ASN 63 H ASN 63 -6.785 19.662 0.211 452 HA ASN 63 HA ASN 63 -8.410 22.042 0.911 453 HB2 ASN 63 1HB ASN 63 -6.026 22.342 0.865 454 HB3 ASN 63 2HB ASN 63 -5.913 21.718 -0.774 455 HD21 ASN 63 1HD2 ASN 63 -5.687 23.331 -2.259 456 HD22 ASN 63 2HD2 ASN 63 -6.467 24.913 -2.109 457 H CYS 64 H CYS 64 -7.239 20.598 -2.231 458 HA CYS 64 HA CYS 64 -9.694 21.579 -3.510 459 HB2 CYS 64 1HB CYS 64 -8.457 21.149 -5.592 460 HB3 CYS 64 2HB CYS 64 -7.647 22.273 -4.507 461 H HIS 65 H HIS 65 -8.856 18.655 -2.100 462 HA HIS 65 HA HIS 65 -9.448 16.480 -2.327 463 HD1 HIS 65 HD1 HIS 65 -12.259 19.365 -1.056 464 HD2 HIS 65 HD2 HIS 65 -10.877 15.474 -0.120 465 HE1 HIS 65 HE1 HIS 65 -12.162 19.224 1.515 466 HE2 HIS 65 HE2 HIS 65 -11.384 16.831 2.072 467 HB2 HIS 65 1HB HIS 65 -12.083 17.690 -3.136 468 HB3 HIS 65 2HB HIS 65 -11.828 16.000 -2.705 469 H HIS 66 H HIS 66 -8.154 17.643 -4.655 470 HA HIS 66 HA HIS 66 -8.814 15.991 -6.959 471 HD1 HIS 66 HD1 HIS 66 -5.955 15.741 -9.100 472 HD2 HIS 66 HD2 HIS 66 -4.530 17.280 -5.443 473 HE1 HIS 66 HE1 HIS 66 -3.438 15.676 -9.223 474 HB2 HIS 66 1HB HIS 66 -7.479 17.607 -7.709 475 HB3 HIS 66 2HB HIS 66 -6.845 17.957 -6.113 476 H VAL 67 H VAL 67 -7.814 13.920 -7.440 477 HA VAL 67 HA VAL 67 -6.921 12.368 -5.132 478 HB VAL 67 HB VAL 67 -7.168 11.649 -8.082 479 HG11 VAL 67 1HG1 VAL 67 -6.431 9.936 -5.673 480 HG12 VAL 67 2HG1 VAL 67 -6.978 9.284 -7.231 481 HG13 VAL 67 3HG1 VAL 67 -5.467 10.195 -7.141 482 HG21 VAL 67 3HG2 VAL 67 -8.839 10.854 -5.651 483 HG22 VAL 67 1HG2 VAL 67 -9.333 12.028 -6.891 484 HG23 VAL 67 2HG2 VAL 67 -9.104 10.332 -7.326 485 H ILE 68 H ILE 68 -5.078 12.831 -4.305 486 HA ILE 68 HA ILE 68 -2.754 13.926 -5.559 487 HB ILE 68 HB ILE 68 -3.337 12.540 -2.943 488 HG12 ILE 68 1HG1 ILE 68 -2.549 15.377 -3.744 489 HG13 ILE 68 2HG1 ILE 68 -4.193 14.837 -3.444 490 HG21 ILE 68 1HG2 ILE 68 -1.071 13.078 -2.128 491 HG22 ILE 68 2HG2 ILE 68 -0.980 11.928 -3.435 492 HG23 ILE 68 3HG2 ILE 68 -0.616 13.637 -3.746 493 HD11 ILE 68 3HD1 ILE 68 -1.964 14.897 -1.380 494 HD12 ILE 68 1HD1 ILE 68 -3.287 16.040 -1.548 495 HD13 ILE 68 2HD1 ILE 68 -3.646 14.347 -1.108 496 H ALA 69 H ALA 69 -3.644 10.588 -4.674 497 HA ALA 69 HA ALA 69 -1.924 9.373 -6.693 498 HB1 ALA 69 3HB ALA 69 -0.250 9.917 -4.996 499 HB2 ALA 69 1HB ALA 69 -1.272 9.280 -3.701 500 HB3 ALA 69 2HB ALA 69 -0.563 8.169 -4.885 501 H ARG 70 H ARG 70 -2.049 6.982 -6.594 502 HA ARG 70 HA ARG 70 -4.545 5.903 -5.321 503 HE ARG 70 HE ARG 70 -3.666 7.694 -9.204 504 HB2 ARG 70 1HB ARG 70 -3.242 5.309 -8.002 505 HB3 ARG 70 2HB ARG 70 -4.141 4.084 -7.112 506 HG2 ARG 70 1HG ARG 70 -5.622 4.964 -8.701 507 HG3 ARG 70 2HG ARG 70 -6.131 5.369 -7.063 508 HD2 ARG 70 1HD ARG 70 -6.482 7.310 -8.426 509 HD3 ARG 70 2HD ARG 70 -5.119 7.628 -7.361 510 HH11 ARG 70 1HH1 ARG 70 -6.797 6.612 -10.344 511 HH12 ARG 70 2HH1 ARG 70 -6.349 6.788 -12.020 512 HH21 ARG 70 1HH2 ARG 70 -3.158 7.887 -11.361 513 HH22 ARG 70 2HH2 ARG 70 -4.343 7.489 -12.568 514 H HIS 71 H HIS 71 -4.376 4.061 -4.219 515 HA HIS 71 HA HIS 71 -1.650 2.947 -3.615 516 HD2 HIS 71 HD2 HIS 71 -2.638 0.548 -0.946 517 HE1 HIS 71 HE1 HIS 71 0.410 2.689 1.128 518 HE2 HIS 71 HE2 HIS 71 -0.770 0.440 0.900 519 HB2 HIS 71 1HB HIS 71 -2.852 4.428 -1.879 520 HB3 HIS 71 2HB HIS 71 -4.008 3.125 -1.707 521 H GLU 72 H GLU 72 -1.457 0.767 -3.642 522 HA GLU 72 HA GLU 72 -3.863 -0.966 -3.474 523 HB2 GLU 72 1HB GLU 72 -3.529 -0.849 -5.820 524 HB3 GLU 72 2HB GLU 72 -1.770 -0.959 -5.682 525 HG2 GLU 72 1HG GLU 72 -1.845 -3.236 -4.997 526 HG3 GLU 72 2HG GLU 72 -3.605 -3.202 -4.772 527 H TYR 73 H TYR 73 -3.565 -2.546 -2.075 528 HA TYR 73 HA TYR 73 -0.827 -3.536 -1.433 529 HD1 TYR 73 HD1 TYR 73 0.263 -4.578 0.867 530 HD2 TYR 73 HD2 TYR 73 -3.904 -4.159 1.901 531 HE1 TYR 73 HE1 TYR 73 0.485 -6.430 2.475 532 HE2 TYR 73 HE2 TYR 73 -3.673 -6.008 3.533 533 HH TYR 73 HH TYR 73 -0.566 -7.618 4.196 534 HB2 TYR 73 1HB TYR 73 -1.278 -2.292 0.499 535 HB3 TYR 73 2HB TYR 73 -2.996 -2.622 0.444 536 H THR 74 H THR 74 -0.744 -5.679 -1.810 537 HA THR 74 HA THR 74 -3.307 -7.253 -1.725 538 HB THR 74 HB THR 74 -3.036 -8.271 -3.697 539 HG1 THR 74 HG1 THR 74 -0.280 -7.593 -3.739 540 HG21 THR 74 3HG2 THR 74 -1.509 -5.775 -4.532 541 HG22 THR 74 1HG2 THR 74 -3.232 -5.734 -4.164 542 HG23 THR 74 2HG2 THR 74 -2.644 -6.748 -5.488 543 H PHE 75 H PHE 75 -3.182 -9.108 -0.648 544 HA PHE 75 HA PHE 75 -0.489 -10.081 0.269 545 HD1 PHE 75 HD1 PHE 75 0.382 -10.733 2.756 546 HD2 PHE 75 HD2 PHE 75 -3.840 -11.605 2.738 547 HE1 PHE 75 HE1 PHE 75 0.800 -12.716 4.109 548 HE2 PHE 75 HE2 PHE 75 -3.412 -13.660 4.053 549 HZ PHE 75 HZ PHE 75 -1.071 -14.257 4.693 550 HB2 PHE 75 1HB PHE 75 -1.341 -8.996 2.114 551 HB3 PHE 75 2HB PHE 75 -2.990 -9.492 1.850 552 H SER 76 H SER 76 -0.182 -12.234 -0.191 553 HA SER 76 HA SER 76 -2.500 -14.040 -0.831 554 HG SER 76 HG SER 76 -1.443 -13.827 -4.099 555 HB2 SER 76 1HB SER 76 -0.017 -13.408 -2.375 556 HB3 SER 76 2HB SER 76 -0.574 -15.078 -2.395 557 H ILE 77 H ILE 77 -2.384 -16.152 -0.169 558 HA ILE 77 HA ILE 77 0.067 -16.982 1.387 559 HB ILE 77 HB ILE 77 -2.756 -18.008 1.765 560 HG12 ILE 77 1HG1 ILE 77 -1.110 -15.906 3.138 561 HG13 ILE 77 2HG1 ILE 77 -2.798 -15.855 2.594 562 HG21 ILE 77 1HG2 ILE 77 -0.195 -18.575 3.326 563 HG22 ILE 77 2HG2 ILE 77 -1.800 -19.275 3.631 564 HG23 ILE 77 3HG2 ILE 77 -0.931 -19.700 2.162 565 HD11 ILE 77 3HD1 ILE 77 -3.355 -17.475 4.459 566 HD12 ILE 77 1HD1 ILE 77 -1.677 -17.253 5.044 567 HD13 ILE 77 2HD1 ILE 77 -2.789 -15.877 4.987 568 H MET 78 H MET 78 1.304 -18.458 0.495 569 HA MET 78 HA MET 78 0.123 -20.375 -1.452 570 HB2 MET 78 1HB MET 78 2.362 -20.387 -2.597 571 HB3 MET 78 2HB MET 78 1.373 -18.946 -2.826 572 HG2 MET 78 1HG MET 78 2.750 -17.607 -1.471 573 HG3 MET 78 2HG MET 78 3.511 -18.984 -0.686 574 HE1 MET 78 3HE MET 78 4.501 -18.085 -5.126 575 HE2 MET 78 1HE MET 78 3.216 -19.208 -4.641 576 HE3 MET 78 2HE MET 78 3.041 -17.465 -4.317 577 H ASP 79 H ASP 79 0.098 -22.332 -0.750 578 HA ASP 79 HA ASP 79 0.480 -24.270 0.339 579 HB2 ASP 79 1HB ASP 79 3.310 -23.571 -0.487 580 HB3 ASP 79 2HB ASP 79 2.800 -25.161 0.076 581 H GLU 80 H GLU 80 3.472 -22.685 1.450 582 HA GLU 80 HA GLU 80 2.716 -23.103 4.317 583 HB2 GLU 80 1HB GLU 80 5.506 -23.542 3.228 584 HB3 GLU 80 2HB GLU 80 4.928 -23.878 4.847 585 HG2 GLU 80 1HG GLU 80 4.241 -25.393 2.295 586 HG3 GLU 80 2HG GLU 80 5.336 -25.911 3.563 587 H PHE 81 H PHE 81 3.301 -20.746 2.095 588 HA PHE 81 HA PHE 81 4.809 -19.080 4.107 589 HD1 PHE 81 HD1 PHE 81 6.981 -20.832 3.473 590 HD2 PHE 81 HD2 PHE 81 5.690 -19.760 -0.476 591 HE1 PHE 81 HE1 PHE 81 8.205 -22.789 2.542 592 HE2 PHE 81 HE2 PHE 81 6.847 -21.720 -1.420 593 HZ PHE 81 HZ PHE 81 8.141 -23.248 0.096 594 HB2 PHE 81 1HB PHE 81 5.129 -18.363 1.210 595 HB3 PHE 81 2HB PHE 81 6.235 -18.266 2.517 596 H GLN 82 H GLN 82 4.574 -16.749 3.562 597 HA GLN 82 HA GLN 82 1.877 -16.003 2.466 598 HB2 GLN 82 1HB GLN 82 3.165 -14.280 4.527 599 HB3 GLN 82 2HB GLN 82 1.458 -14.612 4.178 600 HG2 GLN 82 1HG GLN 82 1.629 -16.749 5.334 601 HG3 GLN 82 2HG GLN 82 3.327 -16.360 5.747 602 HE21 GLN 82 1HE2 GLN 82 -0.064 -15.472 6.407 603 HE22 GLN 82 2HE2 GLN 82 0.330 -14.528 7.832 604 H GLU 83 H GLU 83 1.810 -14.199 1.241 605 HA GLU 83 HA GLU 83 4.379 -12.883 0.446 606 HB2 GLU 83 1HB GLU 83 2.054 -13.940 -1.201 607 HB3 GLU 83 2HB GLU 83 2.931 -12.528 -1.759 608 HG2 GLU 83 1HG GLU 83 5.041 -13.762 -1.692 609 HG3 GLU 83 2HG GLU 83 4.163 -15.246 -1.248 610 H TYR 84 H TYR 84 4.395 -10.787 0.614 611 HA TYR 84 HA TYR 84 1.844 -9.224 0.931 612 HD1 TYR 84 HD1 TYR 84 4.412 -11.057 3.374 613 HD2 TYR 84 HD2 TYR 84 1.316 -8.071 3.637 614 HE1 TYR 84 HE1 TYR 84 3.440 -12.251 5.341 615 HE2 TYR 84 HE2 TYR 84 0.404 -9.194 5.667 616 HH TYR 84 HH TYR 84 0.621 -10.947 7.135 617 HB2 TYR 84 1HB TYR 84 4.595 -8.822 2.163 618 HB3 TYR 84 2HB TYR 84 3.279 -7.677 2.246 619 H THR 85 H THR 85 1.581 -7.652 -0.613 620 HA THR 85 HA THR 85 4.007 -6.457 -1.816 621 HB THR 85 HB THR 85 3.539 -6.815 -3.992 622 HG1 THR 85 HG1 THR 85 1.514 -7.302 -4.818 623 HG21 THR 85 3HG2 THR 85 2.897 -9.123 -4.481 624 HG22 THR 85 1HG2 THR 85 2.139 -9.304 -2.885 625 HG23 THR 85 2HG2 THR 85 3.896 -9.113 -3.028 626 H MET 86 H MET 86 3.806 -4.365 -2.305 627 HA MET 86 HA MET 86 1.187 -2.955 -2.090 628 HB2 MET 86 1HB MET 86 2.122 -2.782 0.080 629 HB3 MET 86 2HB MET 86 3.721 -2.316 -0.544 630 HG2 MET 86 1HG MET 86 2.657 -0.235 -1.449 631 HG3 MET 86 2HG MET 86 1.127 -0.747 -0.725 632 HE1 MET 86 3HE MET 86 4.414 1.285 -0.218 633 HE2 MET 86 1HE MET 86 4.904 0.813 1.427 634 HE3 MET 86 2HE MET 86 4.927 -0.379 0.108 635 H LEU 87 H LEU 87 1.003 -1.260 -3.320 636 HA LEU 87 HA LEU 87 3.217 -0.145 -4.970 637 HG LEU 87 HG LEU 87 2.086 0.558 -7.321 638 HB2 LEU 87 1HB LEU 87 2.235 -2.196 -6.161 639 HB3 LEU 87 2HB LEU 87 0.705 -1.351 -6.179 640 HD11 LEU 87 1HD1 LEU 87 3.669 -1.910 -8.102 641 HD12 LEU 87 2HD1 LEU 87 4.237 -0.620 -7.032 642 HD13 LEU 87 3HD1 LEU 87 3.894 -0.257 -8.735 643 HD21 LEU 87 3HD2 LEU 87 1.549 -0.356 -9.541 644 HD22 LEU 87 1HD2 LEU 87 0.218 -0.612 -8.401 645 HD23 LEU 87 2HD2 LEU 87 1.292 -1.965 -8.819 646 H CYS 88 H CYS 88 2.927 1.908 -4.311 647 HA CYS 88 HA CYS 88 0.406 3.333 -4.903 648 HB2 CYS 88 1HB CYS 88 0.341 2.870 -2.500 649 HB3 CYS 88 2HB CYS 88 1.980 3.422 -2.315 650 H LEU 89 H LEU 89 0.792 5.285 -5.825 651 HA LEU 89 HA LEU 89 3.369 6.040 -6.838 652 HG LEU 89 HG LEU 89 2.413 9.220 -6.773 653 HB2 LEU 89 1HB LEU 89 1.369 6.649 -8.019 654 HB3 LEU 89 2HB LEU 89 0.690 7.445 -6.606 655 HD11 LEU 89 1HD1 LEU 89 4.153 7.915 -8.000 656 HD12 LEU 89 2HD1 LEU 89 3.755 9.490 -8.727 657 HD13 LEU 89 3HD1 LEU 89 3.132 7.988 -9.448 658 HD21 LEU 89 3HD2 LEU 89 0.261 9.619 -7.875 659 HD22 LEU 89 1HD2 LEU 89 0.836 8.764 -9.334 660 HD23 LEU 89 2HD2 LEU 89 1.587 10.291 -8.848 661 H LEU 90 H LEU 90 1.669 6.923 -3.869 662 HA LEU 90 HA LEU 90 3.727 8.963 -3.158 663 HG LEU 90 HG LEU 90 2.469 8.732 -0.096 664 HB2 LEU 90 1HB LEU 90 1.426 9.645 -2.833 665 HB3 LEU 90 2HB LEU 90 1.024 8.146 -2.023 666 HD11 LEU 90 1HD1 LEU 90 4.126 10.130 -1.338 667 HD12 LEU 90 2HD1 LEU 90 3.493 10.853 0.128 668 HD13 LEU 90 3HD1 LEU 90 2.895 11.415 -1.442 669 HD21 LEU 90 3HD2 LEU 90 1.128 10.555 0.791 670 HD22 LEU 90 1HD2 LEU 90 0.124 9.376 -0.070 671 HD23 LEU 90 2HD2 LEU 90 0.513 10.929 -0.844 672 H CYS 91 H CYS 91 1.996 6.265 -1.496 673 HA CYS 91 HA CYS 91 3.847 6.190 0.567 674 HB2 CYS 91 1HB CYS 91 1.825 4.147 -0.363 675 HB3 CYS 91 2HB CYS 91 2.629 4.057 1.196 676 H GLY 92 H GLY 92 3.741 4.222 -2.382 677 HA2 GLY 92 1HA GLY 92 6.118 3.837 -3.159 678 HA3 GLY 92 2HA GLY 92 6.404 3.098 -1.603 679 H LYS 93 H LYS 93 7.230 1.765 -3.586 680 HA LYS 93 HA LYS 93 5.308 -0.482 -3.976 681 HB2 LYS 93 1HB LYS 93 5.863 0.433 -6.095 682 HB3 LYS 93 2HB LYS 93 7.562 0.503 -5.723 683 HG2 LYS 93 1HG LYS 93 7.643 -2.023 -5.612 684 HG3 LYS 93 2HG LYS 93 5.927 -2.057 -6.043 685 HD2 LYS 93 1HD LYS 93 6.484 -0.874 -8.195 686 HD3 LYS 93 2HD LYS 93 8.199 -0.914 -7.740 687 HE2 LYS 93 1HE LYS 93 8.107 -3.400 -7.639 688 HE3 LYS 93 2HE LYS 93 6.399 -3.357 -8.096 689 HZ1 LYS 93 3HZ LYS 93 8.641 -2.375 -9.788 690 HZ2 LYS 93 1HZ LYS 93 7.061 -2.336 -10.212 691 HZ3 LYS 93 2HZ LYS 93 7.822 -3.766 -10.021 692 H ALA 94 H ALA 94 5.666 -2.159 -2.776 693 HA ALA 94 HA ALA 94 8.408 -3.040 -2.184 694 HB1 ALA 94 3HB ALA 94 6.295 -2.408 -0.076 695 HB2 ALA 94 1HB ALA 94 7.836 -3.203 0.269 696 HB3 ALA 94 2HB ALA 94 7.820 -1.526 -0.314 697 H GLU 95 H GLU 95 8.579 -5.231 -1.351 698 HA GLU 95 HA GLU 95 6.191 -6.924 -1.317 699 HB2 GLU 95 1HB GLU 95 6.771 -6.896 -3.703 700 HB3 GLU 95 2HB GLU 95 8.457 -7.255 -3.314 701 HG2 GLU 95 1HG GLU 95 7.834 -9.495 -2.514 702 HG3 GLU 95 2HG GLU 95 6.131 -9.141 -2.792 703 H ASP 96 H ASP 96 6.415 -8.645 0.034 704 HA ASP 96 HA ASP 96 9.063 -9.501 0.992 705 HB2 ASP 96 1HB ASP 96 8.160 -7.684 2.529 706 HB3 ASP 96 2HB ASP 96 6.791 -8.725 2.874 707 H THR 97 H THR 97 9.045 -11.642 1.943 708 HA THR 97 HA THR 97 6.480 -13.106 1.815 709 HB THR 97 HB THR 97 8.923 -14.534 0.829 710 HG1 THR 97 HG1 THR 97 7.225 -12.871 -0.701 711 HG21 THR 97 3HG2 THR 97 5.969 -14.798 0.196 712 HG22 THR 97 1HG2 THR 97 6.862 -15.819 1.331 713 HG23 THR 97 2HG2 THR 97 7.261 -15.868 -0.399 714 H ILE 98 H ILE 98 6.147 -14.531 3.440 715 HA ILE 98 HA ILE 98 8.361 -14.962 5.428 716 HB ILE 98 HB ILE 98 5.419 -14.818 6.121 717 HG12 ILE 98 1HG1 ILE 98 7.444 -12.554 6.182 718 HG13 ILE 98 2HG1 ILE 98 5.964 -12.639 5.195 719 HG21 ILE 98 1HG2 ILE 98 7.929 -14.490 7.798 720 HG22 ILE 98 2HG2 ILE 98 6.252 -14.546 8.401 721 HG23 ILE 98 3HG2 ILE 98 6.959 -15.981 7.683 722 HD11 ILE 98 3HD1 ILE 98 6.142 -12.253 8.202 723 HD12 ILE 98 1HD1 ILE 98 5.512 -11.137 6.982 724 HD13 ILE 98 2HD1 ILE 98 4.628 -12.633 7.345 725 H SER 99 H SER 99 8.814 -17.042 5.802 726 HA SER 99 HA SER 99 7.004 -19.171 4.820 727 HG SER 99 HG SER 99 10.884 -19.699 5.911 728 HB2 SER 99 1HB SER 99 8.833 -20.710 5.544 729 HB3 SER 99 2HB SER 99 9.260 -19.552 4.275 730 H ILE 100 H ILE 100 5.651 -20.333 6.086 731 HA ILE 100 HA ILE 100 5.849 -20.012 9.028 732 HB ILE 100 HB ILE 100 3.411 -19.604 9.168 733 HG12 ILE 100 1HG1 ILE 100 2.285 -18.519 7.214 734 HG13 ILE 100 2HG1 ILE 100 3.534 -19.149 6.154 735 HG21 ILE 100 1HG2 ILE 100 5.130 -17.813 9.332 736 HG22 ILE 100 2HG2 ILE 100 4.890 -17.466 7.605 737 HG23 ILE 100 3HG2 ILE 100 3.560 -17.251 8.752 738 HD11 ILE 100 3HD1 ILE 100 1.437 -20.479 6.139 739 HD12 ILE 100 1HD1 ILE 100 2.797 -21.464 6.690 740 HD13 ILE 100 2HD1 ILE 100 1.632 -20.820 7.870 741 H LEU 101 H LEU 101 4.093 -21.325 10.141 742 HA LEU 101 HA LEU 101 3.894 -24.108 9.091 743 HG LEU 101 HG LEU 101 6.463 -24.919 11.697 744 HB2 LEU 101 1HB LEU 101 4.849 -23.007 11.774 745 HB3 LEU 101 2HB LEU 101 4.202 -24.620 11.646 746 HD11 LEU 101 1HD1 LEU 101 7.096 -25.974 9.632 747 HD12 LEU 101 2HD1 LEU 101 5.890 -25.050 8.721 748 HD13 LEU 101 3HD1 LEU 101 5.373 -26.259 9.922 749 HD21 LEU 101 3HD2 LEU 101 7.187 -22.598 11.201 750 HD22 LEU 101 1HD2 LEU 101 6.992 -22.942 9.465 751 HD23 LEU 101 2HD2 LEU 101 8.168 -23.847 10.421 752 HA PRO 102 HA PRO 102 -0.369 -23.707 10.280 753 HB2 PRO 102 1HB PRO 102 -1.021 -26.097 11.511 754 HB3 PRO 102 2HB PRO 102 -0.787 -25.882 9.749 755 HG2 PRO 102 1HG PRO 102 1.228 -26.874 11.784 756 HG3 PRO 102 2HG PRO 102 0.812 -27.592 10.193 757 HD2 PRO 102 1HD PRO 102 2.981 -26.019 10.479 758 HD3 PRO 102 2HD PRO 102 1.961 -25.877 9.022 759 H ASP 103 H ASP 103 1.983 -24.248 12.771 760 HA ASP 103 HA ASP 103 0.290 -23.655 15.066 761 HB2 ASP 103 1HB ASP 103 2.387 -25.074 15.042 762 HB3 ASP 103 2HB ASP 103 3.321 -23.604 14.763 763 H ASP 104 H ASP 104 1.423 -21.692 12.587 764 HA ASP 104 HA ASP 104 1.786 -19.543 12.193 765 HB2 ASP 104 1HB ASP 104 -0.566 -19.487 12.761 766 HB3 ASP 104 2HB ASP 104 -0.175 -19.063 14.432 767 HA PRO 105 HA PRO 105 5.055 -19.063 15.392 768 HB2 PRO 105 1HB PRO 105 7.224 -18.817 13.745 769 HB3 PRO 105 2HB PRO 105 6.440 -20.384 14.115 770 HG2 PRO 105 1HG PRO 105 5.992 -18.597 11.701 771 HG3 PRO 105 2HG PRO 105 6.343 -20.356 11.722 772 HD2 PRO 105 1HD PRO 105 3.810 -19.383 11.532 773 HD3 PRO 105 2HD PRO 105 4.159 -20.872 12.470 774 H ARG 106 H ARG 106 3.971 -16.778 13.054 775 HA ARG 106 HA ARG 106 4.394 -14.530 12.647 776 HE ARG 106 HE ARG 106 1.371 -15.414 12.466 777 HB2 ARG 106 1HB ARG 106 4.312 -14.590 15.685 778 HB3 ARG 106 2HB ARG 106 4.247 -13.114 14.735 779 HG2 ARG 106 1HG ARG 106 2.154 -15.320 14.669 780 HG3 ARG 106 2HG ARG 106 2.059 -13.788 15.530 781 HD2 ARG 106 1HD ARG 106 0.854 -13.246 13.664 782 HD3 ARG 106 2HD ARG 106 2.455 -12.689 13.167 783 HH11 ARG 106 1HH1 ARG 106 2.665 -12.413 11.097 784 HH12 ARG 106 2HH1 ARG 106 2.823 -13.188 9.536 785 HH21 ARG 106 1HH2 ARG 106 1.632 -16.212 10.622 786 HH22 ARG 106 2HH2 ARG 106 2.290 -15.271 9.254 787 H GLN 107 H GLN 107 6.512 -15.304 11.793 788 HA GLN 107 HA GLN 107 8.995 -15.094 12.959 789 HB2 GLN 107 1HB GLN 107 8.384 -14.056 10.174 790 HB3 GLN 107 2HB GLN 107 9.925 -14.663 10.757 791 HG2 GLN 107 1HG GLN 107 7.403 -16.318 10.291 792 HG3 GLN 107 2HG GLN 107 8.800 -16.209 9.243 793 HE21 GLN 107 1HE2 GLN 107 8.513 -18.652 9.556 794 HE22 GLN 107 2HE2 GLN 107 9.450 -19.353 10.882 Start of MODEL 17 1 HA CYS 2 HA CYS 2 -1.303 14.933 -10.666 2 H1 CYS 2 1H CYS 2 -1.163 15.664 -7.917 3 HB2 CYS 2 1HB CYS 2 -0.139 17.341 -10.728 4 HB3 CYS 2 2HB CYS 2 -1.840 17.099 -10.451 5 H GLY 3 H GLY 3 0.705 13.675 -8.681 6 HA2 GLY 3 1HA GLY 3 2.663 12.472 -8.918 7 HA3 GLY 3 2HA GLY 3 2.851 13.038 -10.570 8 H ASP 4 H ASP 4 2.706 15.911 -9.810 9 HA ASP 4 HA ASP 4 5.438 16.424 -8.921 10 HB2 ASP 4 1HB ASP 4 2.991 18.156 -9.389 11 HB3 ASP 4 2HB ASP 4 4.474 18.810 -8.692 12 H CYS 5 H CYS 5 2.425 15.753 -7.315 13 HA CYS 5 HA CYS 5 2.791 16.921 -4.800 14 HB2 CYS 5 1HB CYS 5 1.432 14.275 -5.525 15 HB3 CYS 5 2HB CYS 5 1.278 15.101 -4.015 16 H VAL 6 H VAL 6 4.366 14.091 -6.215 17 HA VAL 6 HA VAL 6 5.363 13.175 -3.539 18 HB VAL 6 HB VAL 6 5.640 11.020 -4.390 19 HG11 VAL 6 1HG1 VAL 6 2.878 12.027 -5.178 20 HG12 VAL 6 2HG1 VAL 6 3.315 10.366 -4.784 21 HG13 VAL 6 3HG1 VAL 6 3.413 11.616 -3.538 22 HG21 VAL 6 3HG2 VAL 6 4.960 10.208 -6.547 23 HG22 VAL 6 1HG2 VAL 6 4.456 11.820 -7.067 24 HG23 VAL 6 2HG2 VAL 6 6.177 11.454 -6.805 25 H GLU 7 H GLU 7 7.566 13.003 -3.151 26 HA GLU 7 HA GLU 7 9.446 14.431 -4.789 27 HB2 GLU 7 1HB GLU 7 9.746 14.327 -2.405 28 HB3 GLU 7 2HB GLU 7 9.803 12.579 -2.395 29 HG2 GLU 7 1HG GLU 7 11.914 12.547 -3.509 30 HG3 GLU 7 2HG GLU 7 11.838 14.283 -3.853 31 H LYS 8 H LYS 8 8.709 10.975 -4.432 32 HA LYS 8 HA LYS 8 10.057 10.379 -7.027 33 HB2 LYS 8 1HB LYS 8 10.312 8.801 -4.422 34 HB3 LYS 8 2HB LYS 8 10.733 8.154 -6.012 35 HG2 LYS 8 1HG LYS 8 12.419 9.959 -6.308 36 HG3 LYS 8 2HG LYS 8 12.034 10.570 -4.689 37 HD2 LYS 8 1HD LYS 8 12.714 8.398 -3.699 38 HD3 LYS 8 2HD LYS 8 13.130 7.798 -5.321 39 HE2 LYS 8 1HE LYS 8 14.777 9.646 -5.574 40 HE3 LYS 8 2HE LYS 8 14.362 10.240 -3.962 41 HZ1 LYS 8 3HZ LYS 8 16.352 8.855 -3.905 42 HZ2 LYS 8 1HZ LYS 8 15.559 7.581 -4.541 43 HZ3 LYS 8 2HZ LYS 8 15.172 8.127 -3.049 44 H GLU 9 H GLU 9 8.986 8.886 -8.255 45 HA GLU 9 HA GLU 9 6.175 8.282 -7.590 46 HB2 GLU 9 1HB GLU 9 7.985 7.847 -10.001 47 HB3 GLU 9 2HB GLU 9 6.395 7.094 -9.911 48 HG2 GLU 9 1HG GLU 9 5.242 8.986 -10.220 49 HG3 GLU 9 2HG GLU 9 6.394 10.021 -9.379 50 H TYR 10 H TYR 10 5.559 6.445 -6.587 51 HA TYR 10 HA TYR 10 5.703 4.452 -5.487 52 HD1 TYR 10 HD1 TYR 10 5.262 5.398 -9.223 53 HD2 TYR 10 HD2 TYR 10 3.682 2.075 -6.947 54 HE1 TYR 10 HE1 TYR 10 3.045 5.795 -10.199 55 HE2 TYR 10 HE2 TYR 10 1.434 2.504 -7.915 56 HH TYR 10 HH TYR 10 0.189 3.768 -9.373 57 HB2 TYR 10 1HB TYR 10 6.753 3.439 -8.132 58 HB3 TYR 10 2HB TYR 10 5.976 2.515 -6.882 59 HA PRO 11 HA PRO 11 10.300 4.799 -4.620 60 HB2 PRO 11 1HB PRO 11 10.055 5.501 -1.967 61 HB3 PRO 11 2HB PRO 11 10.007 6.699 -3.313 62 HG2 PRO 11 1HG PRO 11 7.652 5.392 -1.919 63 HG3 PRO 11 2HG PRO 11 7.969 7.136 -2.168 64 HD2 PRO 11 1HD PRO 11 6.398 5.815 -3.889 65 HD3 PRO 11 2HD PRO 11 7.627 6.917 -4.542 66 H ASN 12 H ASN 12 11.509 3.080 -3.637 67 HA ASN 12 HA ASN 12 9.917 0.793 -2.706 68 HB2 ASN 12 1HB ASN 12 12.935 1.257 -2.952 69 HB3 ASN 12 2HB ASN 12 12.215 -0.250 -2.399 70 HD21 ASN 12 1HD2 ASN 12 13.803 -0.648 -4.414 71 HD22 ASN 12 2HD2 ASN 12 12.916 -0.851 -5.917 72 H ARG 13 H ARG 13 9.798 -0.020 -0.613 73 HA ARG 13 HA ARG 13 10.718 1.811 1.584 74 HE ARG 13 HE ARG 13 8.462 4.168 3.040 75 HB2 ARG 13 1HB ARG 13 8.134 0.221 1.492 76 HB3 ARG 13 2HB ARG 13 8.658 1.335 2.751 77 HG2 ARG 13 1HG ARG 13 7.745 2.006 -0.037 78 HG3 ARG 13 2HG ARG 13 6.994 2.406 1.501 79 HD2 ARG 13 1HD ARG 13 9.457 3.647 0.255 80 HD3 ARG 13 2HD ARG 13 7.946 4.414 0.651 81 HH11 ARG 13 1HH1 ARG 13 11.265 3.933 0.895 82 HH12 ARG 13 2HH1 ARG 13 12.328 4.547 2.130 83 HH21 ARG 13 1HH2 ARG 13 9.931 4.770 4.569 84 HH22 ARG 13 2HH2 ARG 13 11.609 4.944 4.153 85 H GLY 14 H GLY 14 12.198 -0.454 0.651 86 HA2 GLY 14 1HA GLY 14 13.408 -2.232 1.539 87 HA3 GLY 14 2HA GLY 14 13.100 -1.500 3.120 88 H ASN 15 H ASN 15 10.744 -2.787 0.872 89 HA ASN 15 HA ASN 15 9.397 -4.545 0.740 90 HB2 ASN 15 1HB ASN 15 10.652 -5.796 3.214 91 HB3 ASN 15 2HB ASN 15 9.606 -6.543 2.043 92 HD21 ASN 15 1HD2 ASN 15 11.352 -8.134 2.178 93 HD22 ASN 15 2HD2 ASN 15 12.678 -7.943 1.017 94 H THR 16 H THR 16 9.016 -2.145 2.886 95 HA THR 16 HA THR 16 7.018 -3.180 4.714 96 HB THR 16 HB THR 16 7.601 -0.346 3.772 97 HG1 THR 16 HG1 THR 16 9.334 -1.005 4.818 98 HG21 THR 16 3HG2 THR 16 6.572 0.316 5.964 99 HG22 THR 16 1HG2 THR 16 5.941 -1.340 6.109 100 HG23 THR 16 2HG2 THR 16 5.433 -0.283 4.761 101 H CYS 17 H CYS 17 4.975 -3.918 4.100 102 HA CYS 17 HA CYS 17 3.590 -2.532 1.849 103 HG CYS 17 HG CYS 17 5.814 -5.025 1.783 104 HB2 CYS 17 1HB CYS 17 3.412 -5.439 2.729 105 HB3 CYS 17 2HB CYS 17 2.531 -4.704 1.382 106 H LEU 18 H LEU 18 2.084 -1.239 2.702 107 HA LEU 18 HA LEU 18 0.474 -2.074 5.093 108 HG LEU 18 HG LEU 18 1.129 -0.397 7.081 109 HB2 LEU 18 1HB LEU 18 1.799 0.494 4.260 110 HB3 LEU 18 2HB LEU 18 0.288 0.597 5.126 111 HD11 LEU 18 1HD1 LEU 18 3.565 -1.173 5.477 112 HD12 LEU 18 2HD1 LEU 18 2.482 -2.214 6.424 113 HD13 LEU 18 3HD1 LEU 18 3.572 -1.108 7.259 114 HD21 LEU 18 3HD2 LEU 18 2.934 1.139 7.677 115 HD22 LEU 18 1HD2 LEU 18 1.753 1.968 6.651 116 HD23 LEU 18 2HD2 LEU 18 3.300 1.423 5.961 117 H GLU 19 H GLU 19 -1.592 -1.735 5.212 118 HA GLU 19 HA GLU 19 -3.148 -1.192 2.741 119 HB2 GLU 19 1HB GLU 19 -4.999 -2.177 3.898 120 HB3 GLU 19 2HB GLU 19 -3.651 -3.267 4.000 121 HG2 GLU 19 1HG GLU 19 -4.489 -1.416 6.263 122 HG3 GLU 19 2HG GLU 19 -5.103 -3.043 6.041 123 H ASN 20 H ASN 20 -2.048 0.606 5.403 124 HA ASN 20 HA ASN 20 -4.203 2.641 5.034 125 HB2 ASN 20 1HB ASN 20 -3.368 1.292 7.633 126 HB3 ASN 20 2HB ASN 20 -4.040 2.911 7.645 127 HD21 ASN 20 1HD2 ASN 20 -5.036 0.041 8.471 128 HD22 ASN 20 2HD2 ASN 20 -6.690 0.108 7.881 129 H GLY 21 H GLY 21 -3.725 4.739 5.724 130 HA2 GLY 21 1HA GLY 21 -2.346 6.386 6.742 131 HA3 GLY 21 2HA GLY 21 -0.905 5.434 6.398 132 H SER 22 H SER 22 -0.145 7.516 5.741 133 HA SER 22 HA SER 22 -0.259 7.991 2.842 134 HG SER 22 HG SER 22 -2.695 8.916 3.757 135 HB2 SER 22 1HB SER 22 -1.062 10.065 4.923 136 HB3 SER 22 2HB SER 22 -0.372 10.529 3.367 137 H PHE 23 H PHE 23 1.843 8.352 2.184 138 HA PHE 23 HA PHE 23 3.865 8.458 4.275 139 HD1 PHE 23 HD1 PHE 23 5.808 7.911 4.711 140 HD2 PHE 23 HD2 PHE 23 6.269 7.233 0.474 141 HE1 PHE 23 HE1 PHE 23 8.226 7.586 5.021 142 HE2 PHE 23 HE2 PHE 23 8.711 6.946 0.792 143 HZ PHE 23 HZ PHE 23 9.711 7.253 3.062 144 HB2 PHE 23 1HB PHE 23 3.890 6.851 2.424 145 HB3 PHE 23 2HB PHE 23 4.206 8.147 1.292 146 H LEU 24 H LEU 24 3.424 10.579 5.014 147 HA LEU 24 HA LEU 24 3.731 12.913 3.571 148 HG LEU 24 HG LEU 24 2.200 13.689 6.880 149 HB2 LEU 24 1HB LEU 24 4.092 12.241 6.496 150 HB3 LEU 24 2HB LEU 24 4.428 13.863 5.934 151 HD11 LEU 24 1HD1 LEU 24 2.661 15.358 5.100 152 HD12 LEU 24 2HD1 LEU 24 0.966 14.832 5.162 153 HD13 LEU 24 3HD1 LEU 24 2.026 14.207 3.895 154 HD21 LEU 24 3HD2 LEU 24 1.606 11.386 6.262 155 HD22 LEU 24 1HD2 LEU 24 1.412 11.902 4.562 156 HD23 LEU 24 2HD2 LEU 24 0.359 12.560 5.824 157 H LEU 25 H LEU 25 6.399 10.890 4.560 158 HA LEU 25 HA LEU 25 8.443 12.953 4.242 159 HG LEU 25 HG LEU 25 8.014 10.825 6.514 160 HB2 LEU 25 1HB LEU 25 8.584 9.926 4.294 161 HB3 LEU 25 2HB LEU 25 9.997 10.942 4.196 162 HD11 LEU 25 1HD1 LEU 25 9.923 9.919 7.763 163 HD12 LEU 25 2HD1 LEU 25 10.951 10.033 6.317 164 HD13 LEU 25 3HD1 LEU 25 9.575 8.910 6.353 165 HD21 LEU 25 3HD2 LEU 25 8.839 13.121 6.388 166 HD22 LEU 25 1HD2 LEU 25 10.512 12.545 6.185 167 HD23 LEU 25 2HD2 LEU 25 9.646 12.292 7.716 168 H ASN 26 H ASN 26 6.603 11.112 1.954 169 HA ASN 26 HA ASN 26 8.530 11.784 -0.257 170 HB2 ASN 26 1HB ASN 26 7.761 9.412 -0.013 171 HB3 ASN 26 2HB ASN 26 6.107 9.930 -0.266 172 HD21 ASN 26 1HD2 ASN 26 5.908 8.690 -2.274 173 HD22 ASN 26 2HD2 ASN 26 6.792 9.211 -3.716 174 H PHE 27 H PHE 27 5.229 12.293 1.003 175 HA PHE 27 HA PHE 27 4.305 13.836 -1.243 176 HD1 PHE 27 HD1 PHE 27 2.112 14.391 -1.882 177 HD2 PHE 27 HD2 PHE 27 2.019 15.758 2.194 178 HE1 PHE 27 HE1 PHE 27 0.289 16.028 -2.476 179 HE2 PHE 27 HE2 PHE 27 0.213 17.361 1.604 180 HZ PHE 27 HZ PHE 27 -0.666 17.462 -0.708 181 HB2 PHE 27 1HB PHE 27 2.779 12.896 0.430 182 HB3 PHE 27 2HB PHE 27 3.426 13.969 1.654 183 H THR 28 H THR 28 5.269 15.631 -1.948 184 HA THR 28 HA THR 28 6.739 17.457 -0.091 185 HB THR 28 HB THR 28 7.460 18.591 -2.207 186 HG1 THR 28 HG1 THR 28 7.044 17.547 -4.138 187 HG21 THR 28 3HG2 THR 28 8.993 16.821 -2.925 188 HG22 THR 28 1HG2 THR 28 7.985 15.603 -2.112 189 HG23 THR 28 2HG2 THR 28 8.845 16.829 -1.158 190 H GLY 29 H GLY 29 3.623 17.137 -0.894 191 HA2 GLY 29 1HA GLY 29 1.904 18.664 -0.335 192 HA3 GLY 29 2HA GLY 29 2.945 20.034 -0.662 193 H CYS 30 H CYS 30 0.319 19.480 -1.758 194 HA CYS 30 HA CYS 30 0.198 18.352 -4.274 195 HB2 CYS 30 1HB CYS 30 -1.640 19.276 -2.670 196 HB3 CYS 30 2HB CYS 30 -1.366 20.816 -3.438 197 H ALA 31 H ALA 31 -0.421 19.447 -6.227 198 HA ALA 31 HA ALA 31 1.113 21.931 -6.799 199 HB1 ALA 31 3HB ALA 31 2.141 21.228 -8.719 200 HB2 ALA 31 1HB ALA 31 2.279 19.777 -7.683 201 HB3 ALA 31 2HB ALA 31 1.033 19.886 -8.967 202 H VAL 32 H VAL 32 -1.918 20.326 -6.955 203 HA VAL 32 HA VAL 32 -2.962 22.009 -9.100 204 HB VAL 32 HB VAL 32 -4.292 20.206 -7.043 205 HG11 VAL 32 1HG1 VAL 32 -5.874 22.066 -7.314 206 HG12 VAL 32 2HG1 VAL 32 -5.772 21.918 -9.085 207 HG13 VAL 32 3HG1 VAL 32 -6.474 20.607 -8.096 208 HG21 VAL 32 3HG2 VAL 32 -4.300 20.173 -10.096 209 HG22 VAL 32 1HG2 VAL 32 -3.318 19.131 -9.048 210 HG23 VAL 32 2HG2 VAL 32 -5.075 18.981 -9.022 211 H CYS 33 H CYS 33 -2.711 22.126 -5.571 212 HA CYS 33 HA CYS 33 -3.565 24.986 -5.576 213 HB2 CYS 33 1HB CYS 33 -4.626 24.586 -3.478 214 HB3 CYS 33 2HB CYS 33 -5.270 23.437 -4.663 215 H SER 34 H SER 34 -1.110 22.772 -4.557 216 HA SER 34 HA SER 34 0.968 23.136 -3.711 217 HG SER 34 HG SER 34 2.479 25.049 -2.508 218 HB2 SER 34 1HB SER 34 0.701 25.484 -4.686 219 HB3 SER 34 2HB SER 34 0.453 26.004 -3.010 220 H LYS 35 H LYS 35 -1.541 22.544 -1.886 221 HA LYS 35 HA LYS 35 -0.564 23.419 0.778 222 HB2 LYS 35 1HB LYS 35 -2.867 21.715 -0.213 223 HB3 LYS 35 2HB LYS 35 -2.449 21.788 1.487 224 HG2 LYS 35 1HG LYS 35 -2.552 24.507 0.413 225 HG3 LYS 35 2HG LYS 35 -4.038 23.639 0.029 226 HD2 LYS 35 1HD LYS 35 -4.417 23.078 2.339 227 HD3 LYS 35 2HD LYS 35 -2.831 23.751 2.807 228 HE2 LYS 35 1HE LYS 35 -3.591 25.995 1.965 229 HE3 LYS 35 2HE LYS 35 -5.180 25.305 1.608 230 HZ1 LYS 35 3HZ LYS 35 -5.156 26.413 3.769 231 HZ2 LYS 35 1HZ LYS 35 -3.948 25.459 4.312 232 HZ3 LYS 35 2HZ LYS 35 -5.418 24.817 3.989 233 H ARG 36 H ARG 36 0.214 22.125 2.421 234 HA ARG 36 HA ARG 36 1.081 19.340 1.778 235 HE ARG 36 HE ARG 36 5.287 17.342 2.168 236 HB2 ARG 36 1HB ARG 36 2.973 20.960 1.672 237 HB3 ARG 36 2HB ARG 36 2.772 21.226 3.414 238 HG2 ARG 36 1HG ARG 36 3.338 18.946 3.921 239 HG3 ARG 36 2HG ARG 36 3.057 18.422 2.246 240 HD2 ARG 36 1HD ARG 36 4.981 19.753 1.519 241 HD3 ARG 36 2HD ARG 36 5.318 20.188 3.203 242 HH11 ARG 36 1HH1 ARG 36 6.974 19.709 4.140 243 HH12 ARG 36 2HH1 ARG 36 8.083 18.507 4.742 244 HH21 ARG 36 1HH2 ARG 36 6.612 15.893 3.032 245 HH22 ARG 36 2HH2 ARG 36 7.895 16.394 4.104 246 H ASP 37 H ASP 37 1.377 18.005 3.781 247 HA ASP 37 HA ASP 37 0.343 16.916 5.434 248 HB2 ASP 37 1HB ASP 37 0.291 17.868 7.582 249 HB3 ASP 37 2HB ASP 37 1.772 18.265 6.738 250 H PHE 38 H PHE 38 -1.332 17.916 3.485 251 HA PHE 38 HA PHE 38 -4.034 17.929 4.742 252 HD1 PHE 38 HD1 PHE 38 -2.531 20.332 5.459 253 HD2 PHE 38 HD2 PHE 38 -5.988 20.772 2.936 254 HE1 PHE 38 HE1 PHE 38 -3.334 22.188 6.881 255 HE2 PHE 38 HE2 PHE 38 -6.793 22.638 4.344 256 HZ PHE 38 HZ PHE 38 -5.474 23.342 6.350 257 HB2 PHE 38 1HB PHE 38 -2.847 19.648 2.611 258 HB3 PHE 38 2HB PHE 38 -4.496 19.134 2.404 259 H MET 39 H MET 39 -4.586 15.836 4.539 260 HA MET 39 HA MET 39 -5.365 14.954 1.926 261 HB2 MET 39 1HB MET 39 -4.184 12.683 2.047 262 HB3 MET 39 2HB MET 39 -3.313 14.051 1.448 263 HG2 MET 39 1HG MET 39 -2.960 13.787 4.360 264 HG3 MET 39 2HG MET 39 -2.605 12.276 3.547 265 HE1 MET 39 3HE MET 39 -0.894 11.940 1.688 266 HE2 MET 39 1HE MET 39 -1.243 13.357 0.675 267 HE3 MET 39 2HE MET 39 0.404 13.073 1.265 268 H LEU 40 H LEU 40 -6.657 13.289 1.755 269 HA LEU 40 HA LEU 40 -7.983 11.965 4.082 270 HG LEU 40 HG LEU 40 -10.492 14.625 3.134 271 HB2 LEU 40 1HB LEU 40 -9.047 13.575 1.744 272 HB3 LEU 40 2HB LEU 40 -9.973 12.228 2.273 273 HD11 LEU 40 1HD1 LEU 40 -10.498 12.178 4.972 274 HD12 LEU 40 2HD1 LEU 40 -11.729 12.560 3.748 275 HD13 LEU 40 3HD1 LEU 40 -11.533 13.613 5.153 276 HD21 LEU 40 3HD2 LEU 40 -8.580 13.726 5.296 277 HD22 LEU 40 1HD2 LEU 40 -9.688 15.102 5.357 278 HD23 LEU 40 2HD2 LEU 40 -8.356 15.096 4.180 279 H ILE 41 H ILE 41 -9.258 10.053 3.311 280 HA ILE 41 HA ILE 41 -8.184 8.644 0.915 281 HB ILE 41 HB ILE 41 -8.575 7.601 3.738 282 HG12 ILE 41 1HG1 ILE 41 -6.163 7.380 1.877 283 HG13 ILE 41 2HG1 ILE 41 -6.357 8.637 3.094 284 HG21 ILE 41 1HG2 ILE 41 -8.280 5.963 1.168 285 HG22 ILE 41 2HG2 ILE 41 -8.075 5.289 2.793 286 HG23 ILE 41 3HG2 ILE 41 -9.632 5.916 2.310 287 HD11 ILE 41 3HD1 ILE 41 -4.927 6.992 4.043 288 HD12 ILE 41 1HD1 ILE 41 -6.482 6.870 4.877 289 HD13 ILE 41 2HD1 ILE 41 -6.031 5.669 3.641 290 H THR 42 H THR 42 -9.779 7.811 -0.331 291 HA THR 42 HA THR 42 -12.468 7.336 0.763 292 HB THR 42 HB THR 42 -12.229 9.814 -0.071 293 HG1 THR 42 HG1 THR 42 -14.417 9.683 -0.542 294 HG21 THR 42 3HG2 THR 42 -12.582 10.274 -2.318 295 HG22 THR 42 1HG2 THR 42 -13.238 8.671 -2.681 296 HG23 THR 42 2HG2 THR 42 -11.495 8.870 -2.461 297 H ASN 43 H ASN 43 -13.955 6.552 -1.063 298 HA ASN 43 HA ASN 43 -14.540 4.842 -2.367 299 HB2 ASN 43 1HB ASN 43 -14.197 5.376 -4.479 300 HB3 ASN 43 2HB ASN 43 -13.170 6.670 -3.874 301 HD21 ASN 43 1HD2 ASN 43 -10.779 5.675 -3.349 302 HD22 ASN 43 2HD2 ASN 43 -10.105 4.944 -4.810 303 H LYS 44 H LYS 44 -12.343 4.306 -0.353 304 HA LYS 44 HA LYS 44 -10.643 2.253 -1.001 305 HB2 LYS 44 1HB LYS 44 -10.853 3.640 1.117 306 HB3 LYS 44 2HB LYS 44 -12.128 2.509 1.629 307 HG2 LYS 44 1HG LYS 44 -10.663 0.804 2.068 308 HG3 LYS 44 2HG LYS 44 -9.584 1.238 0.736 309 HD2 LYS 44 1HD LYS 44 -8.727 3.144 2.003 310 HD3 LYS 44 2HD LYS 44 -9.740 2.686 3.400 311 HE2 LYS 44 1HE LYS 44 -8.547 0.561 3.595 312 HE3 LYS 44 2HE LYS 44 -7.689 0.865 2.076 313 HZ1 LYS 44 3HZ LYS 44 -6.258 1.432 3.863 314 HZ2 LYS 44 1HZ LYS 44 -7.339 2.374 4.609 315 HZ3 LYS 44 2HZ LYS 44 -6.683 2.839 3.159 316 H SER 45 H SER 45 -10.913 0.423 -1.888 317 HA SER 45 HA SER 45 -13.271 -1.281 -1.265 318 HG SER 45 HG SER 45 -13.134 0.401 -3.628 319 HB2 SER 45 1HB SER 45 -11.433 -1.138 -3.702 320 HB3 SER 45 2HB SER 45 -12.637 -2.407 -3.456 321 H LEU 46 H LEU 46 -13.007 -3.511 -1.130 322 HA LEU 46 HA LEU 46 -10.330 -4.589 -0.567 323 HG LEU 46 HG LEU 46 -10.413 -6.587 1.121 324 HB2 LEU 46 1HB LEU 46 -10.988 -3.962 1.596 325 HB3 LEU 46 2HB LEU 46 -12.630 -4.543 1.399 326 HD11 LEU 46 1HD1 LEU 46 -10.236 -6.880 3.552 327 HD12 LEU 46 2HD1 LEU 46 -11.300 -5.477 3.820 328 HD13 LEU 46 3HD1 LEU 46 -9.694 -5.263 3.088 329 HD21 LEU 46 3HD2 LEU 46 -12.760 -7.346 0.944 330 HD22 LEU 46 1HD2 LEU 46 -13.104 -6.669 2.548 331 HD23 LEU 46 2HD2 LEU 46 -11.973 -8.026 2.364 332 H LYS 47 H LYS 47 -10.087 -6.644 -1.205 333 HA LYS 47 HA LYS 47 -12.397 -8.201 -2.226 334 HB2 LYS 47 1HB LYS 47 -10.601 -6.845 -3.866 335 HB3 LYS 47 2HB LYS 47 -9.859 -8.425 -3.742 336 HG2 LYS 47 1HG LYS 47 -11.796 -9.548 -4.578 337 HG3 LYS 47 2HG LYS 47 -12.752 -8.046 -4.538 338 HD2 LYS 47 1HD LYS 47 -11.238 -7.034 -6.212 339 HD3 LYS 47 2HD LYS 47 -10.311 -8.536 -6.317 340 HE2 LYS 47 1HE LYS 47 -13.315 -8.408 -6.842 341 HE3 LYS 47 2HE LYS 47 -12.137 -8.040 -8.103 342 HZ1 LYS 47 3HZ LYS 47 -12.261 -10.656 -6.667 343 HZ2 LYS 47 1HZ LYS 47 -11.227 -10.260 -7.870 344 HZ3 LYS 47 2HZ LYS 47 -12.824 -10.367 -8.170 345 H GLU 48 H GLU 48 -12.158 -10.441 -2.178 346 HA GLU 48 HA GLU 48 -9.665 -11.509 -0.926 347 HB2 GLU 48 1HB GLU 48 -12.449 -12.068 0.152 348 HB3 GLU 48 2HB GLU 48 -10.960 -12.862 0.672 349 HG2 GLU 48 1HG GLU 48 -10.094 -10.676 1.487 350 HG3 GLU 48 2HG GLU 48 -11.616 -9.916 1.023 351 H GLU 49 H GLU 49 -8.954 -13.047 -2.245 352 HA GLU 49 HA GLU 49 -10.877 -14.949 -3.522 353 HB2 GLU 49 1HB GLU 49 -8.233 -14.068 -4.705 354 HB3 GLU 49 2HB GLU 49 -9.385 -15.208 -5.386 355 HG2 GLU 49 1HG GLU 49 -9.757 -12.201 -4.990 356 HG3 GLU 49 2HG GLU 49 -9.483 -13.030 -6.512 357 H ASP 50 H ASP 50 -10.683 -16.941 -2.790 358 HA ASP 50 HA ASP 50 -9.871 -18.812 -1.745 359 HB2 ASP 50 1HB ASP 50 -9.207 -18.684 -4.232 360 HB3 ASP 50 2HB ASP 50 -7.579 -18.308 -3.683 361 H GLY 51 H GLY 51 -8.721 -16.397 -0.364 362 HA2 GLY 51 1HA GLY 51 -7.608 -16.766 1.865 363 HA3 GLY 51 2HA GLY 51 -6.322 -17.628 1.011 364 H GLU 52 H GLU 52 -6.653 -15.505 -1.237 365 HA GLU 52 HA GLU 52 -4.635 -13.627 -0.282 366 HB2 GLU 52 1HB GLU 52 -4.560 -14.465 -2.598 367 HB3 GLU 52 2HB GLU 52 -6.204 -13.863 -2.877 368 HG2 GLU 52 1HG GLU 52 -5.384 -11.516 -2.579 369 HG3 GLU 52 2HG GLU 52 -3.760 -12.134 -2.434 370 H GLU 53 H GLU 53 -4.958 -11.536 0.299 371 HA GLU 53 HA GLU 53 -7.736 -10.423 0.329 372 HB2 GLU 53 1HB GLU 53 -5.509 -9.982 2.365 373 HB3 GLU 53 2HB GLU 53 -7.069 -9.152 2.331 374 HG2 GLU 53 1HG GLU 53 -8.215 -11.362 2.635 375 HG3 GLU 53 2HG GLU 53 -6.639 -12.140 2.758 376 H ILE 54 H ILE 54 -7.969 -8.523 -0.776 377 HA ILE 54 HA ILE 54 -5.488 -7.055 -1.540 378 HB ILE 54 HB ILE 54 -7.988 -7.357 -3.245 379 HG12 ILE 54 1HG1 ILE 54 -6.040 -8.556 -4.729 380 HG13 ILE 54 2HG1 ILE 54 -5.437 -8.989 -3.137 381 HG21 ILE 54 1HG2 ILE 54 -5.275 -6.096 -3.639 382 HG22 ILE 54 2HG2 ILE 54 -6.440 -6.360 -4.965 383 HG23 ILE 54 3HG2 ILE 54 -6.863 -5.294 -3.630 384 HD11 ILE 54 3HD1 ILE 54 -7.678 -10.090 -2.670 385 HD12 ILE 54 1HD1 ILE 54 -8.185 -9.632 -4.317 386 HD13 ILE 54 2HD1 ILE 54 -6.866 -10.757 -4.097 387 H VAL 55 H VAL 55 -5.543 -4.861 -1.330 388 HA VAL 55 HA VAL 55 -8.101 -3.519 -0.528 389 HB VAL 55 HB VAL 55 -5.358 -3.071 0.733 390 HG11 VAL 55 1HG1 VAL 55 -6.535 -1.621 2.296 391 HG12 VAL 55 2HG1 VAL 55 -6.719 -1.025 0.643 392 HG13 VAL 55 3HG1 VAL 55 -8.076 -1.882 1.421 393 HG21 VAL 55 3HG2 VAL 55 -6.219 -5.173 1.570 394 HG22 VAL 55 1HG2 VAL 55 -6.417 -3.948 2.824 395 HG23 VAL 55 2HG2 VAL 55 -7.822 -4.453 1.853 396 H THR 56 H THR 56 -8.510 -2.011 -2.022 397 HA THR 56 HA THR 56 -6.227 -0.492 -3.198 398 HB THR 56 HB THR 56 -7.255 -0.356 -5.317 399 HG1 THR 56 HG1 THR 56 -9.099 -1.593 -5.793 400 HG21 THR 56 3HG2 THR 56 -7.297 -3.297 -4.511 401 HG22 THR 56 1HG2 THR 56 -5.799 -2.367 -4.700 402 HG23 THR 56 2HG2 THR 56 -6.878 -2.602 -6.086 403 H TYR 57 H TYR 57 -6.326 1.688 -3.176 404 HA TYR 57 HA TYR 57 -8.885 3.073 -2.865 405 HD1 TYR 57 HD1 TYR 57 -6.466 1.060 -0.206 406 HD2 TYR 57 HD2 TYR 57 -6.442 5.369 -0.047 407 HE1 TYR 57 HE1 TYR 57 -4.488 0.992 1.298 408 HE2 TYR 57 HE2 TYR 57 -4.474 5.297 1.477 409 HH TYR 57 HH TYR 57 -3.000 2.212 2.522 410 HB2 TYR 57 1HB TYR 57 -8.452 4.141 -0.770 411 HB3 TYR 57 2HB TYR 57 -8.503 2.424 -0.605 412 H ASP 58 H ASP 58 -8.137 5.541 -2.091 413 HA ASP 58 HA ASP 58 -5.984 6.485 -3.931 414 HB2 ASP 58 1HB ASP 58 -8.932 7.363 -3.797 415 HB3 ASP 58 2HB ASP 58 -7.670 8.297 -4.574 416 H HIS 59 H HIS 59 -5.342 8.663 -3.390 417 HA HIS 59 HA HIS 59 -6.000 9.593 -0.613 418 HD1 HIS 59 HD1 HIS 59 -3.066 8.988 1.326 419 HD2 HIS 59 HD2 HIS 59 -2.748 7.607 -2.634 420 HE1 HIS 59 HE1 HIS 59 -1.616 6.913 1.399 421 HB2 HIS 59 1HB HIS 59 -3.494 10.208 -2.216 422 HB3 HIS 59 2HB HIS 59 -3.841 10.677 -0.569 423 H LEU 60 H LEU 60 -6.606 11.767 -0.392 424 HA LEU 60 HA LEU 60 -6.961 13.385 -2.885 425 HG LEU 60 HG LEU 60 -8.971 12.397 -3.764 426 HB2 LEU 60 1HB LEU 60 -9.050 12.802 -0.744 427 HB3 LEU 60 2HB LEU 60 -9.132 14.150 -1.868 428 HD11 LEU 60 1HD1 LEU 60 -8.489 10.379 -2.315 429 HD12 LEU 60 2HD1 LEU 60 -9.970 10.227 -3.231 430 HD13 LEU 60 3HD1 LEU 60 -10.030 10.644 -1.490 431 HD21 LEU 60 3HD2 LEU 60 -11.445 12.549 -1.989 432 HD22 LEU 60 1HD2 LEU 60 -11.404 12.092 -3.713 433 HD23 LEU 60 2HD2 LEU 60 -10.975 13.731 -3.222 434 H CYS 61 H CYS 61 -6.447 15.470 -2.701 435 HA CYS 61 HA CYS 61 -5.097 16.540 -0.447 436 HB2 CYS 61 1HB CYS 61 -5.026 17.123 -2.953 437 HB3 CYS 61 2HB CYS 61 -6.515 18.025 -2.706 438 H LYS 62 H LYS 62 -5.885 17.295 1.464 439 HA LYS 62 HA LYS 62 -8.714 17.415 2.039 440 HB2 LYS 62 1HB LYS 62 -7.211 16.914 3.808 441 HB3 LYS 62 2HB LYS 62 -6.211 18.302 3.484 442 HG2 LYS 62 1HG LYS 62 -7.308 18.667 5.539 443 HG3 LYS 62 2HG LYS 62 -7.928 19.824 4.373 444 HD2 LYS 62 1HD LYS 62 -9.940 18.293 4.056 445 HD3 LYS 62 2HD LYS 62 -9.285 17.294 5.370 446 HE2 LYS 62 1HE LYS 62 -9.313 19.272 6.882 447 HE3 LYS 62 2HE LYS 62 -9.994 20.253 5.579 448 HZ1 LYS 62 3HZ LYS 62 -11.321 17.888 6.801 449 HZ2 LYS 62 1HZ LYS 62 -11.955 18.802 5.599 450 HZ3 LYS 62 2HZ LYS 62 -11.721 19.443 7.079 451 H ASN 63 H ASN 63 -6.774 19.642 0.320 452 HA ASN 63 HA ASN 63 -8.399 22.012 1.046 453 HB2 ASN 63 1HB ASN 63 -6.029 22.330 1.054 454 HB3 ASN 63 2HB ASN 63 -5.857 21.692 -0.575 455 HD21 ASN 63 1HD2 ASN 63 -5.589 23.299 -2.081 456 HD22 ASN 63 2HD2 ASN 63 -6.374 24.879 -1.959 457 H CYS 64 H CYS 64 -7.140 20.685 -2.107 458 HA CYS 64 HA CYS 64 -9.543 21.720 -3.426 459 HB2 CYS 64 1HB CYS 64 -8.265 21.308 -5.488 460 HB3 CYS 64 2HB CYS 64 -7.472 22.397 -4.357 461 H HIS 65 H HIS 65 -8.789 18.741 -2.084 462 HA HIS 65 HA HIS 65 -9.439 16.598 -2.361 463 HD1 HIS 65 HD1 HIS 65 -12.080 19.607 -1.120 464 HD2 HIS 65 HD2 HIS 65 -11.047 15.612 -0.190 465 HE1 HIS 65 HE1 HIS 65 -12.062 19.440 1.450 466 HE2 HIS 65 HE2 HIS 65 -11.499 16.988 2.004 467 HB2 HIS 65 1HB HIS 65 -12.020 17.910 -3.208 468 HB3 HIS 65 2HB HIS 65 -11.837 16.208 -2.786 469 H HIS 66 H HIS 66 -8.073 17.766 -4.619 470 HA HIS 66 HA HIS 66 -8.704 16.192 -6.988 471 HD1 HIS 66 HD1 HIS 66 -5.853 16.048 -9.116 472 HD2 HIS 66 HD2 HIS 66 -4.420 17.328 -5.361 473 HE1 HIS 66 HE1 HIS 66 -3.336 15.978 -9.240 474 HB2 HIS 66 1HB HIS 66 -7.342 17.854 -7.617 475 HB3 HIS 66 2HB HIS 66 -6.709 18.081 -5.997 476 H VAL 67 H VAL 67 -7.722 14.107 -7.484 477 HA VAL 67 HA VAL 67 -6.905 12.518 -5.180 478 HB VAL 67 HB VAL 67 -7.044 11.803 -8.137 479 HG11 VAL 67 1HG1 VAL 67 -6.540 10.091 -5.665 480 HG12 VAL 67 2HG1 VAL 67 -6.968 9.456 -7.257 481 HG13 VAL 67 3HG1 VAL 67 -5.445 10.319 -7.048 482 HG21 VAL 67 3HG2 VAL 67 -9.061 10.548 -7.478 483 HG22 VAL 67 1HG2 VAL 67 -8.889 11.109 -5.804 484 HG23 VAL 67 2HG2 VAL 67 -9.267 12.262 -7.103 485 H ILE 68 H ILE 68 -5.043 12.874 -4.314 486 HA ILE 68 HA ILE 68 -2.687 13.954 -5.532 487 HB ILE 68 HB ILE 68 -3.281 12.522 -2.938 488 HG12 ILE 68 1HG1 ILE 68 -2.482 15.378 -3.668 489 HG13 ILE 68 2HG1 ILE 68 -4.134 14.841 -3.404 490 HG21 ILE 68 1HG2 ILE 68 -1.002 13.070 -2.132 491 HG22 ILE 68 2HG2 ILE 68 -0.921 11.934 -3.453 492 HG23 ILE 68 3HG2 ILE 68 -0.565 13.646 -3.750 493 HD11 ILE 68 3HD1 ILE 68 -3.244 15.997 -1.470 494 HD12 ILE 68 1HD1 ILE 68 -3.640 14.302 -1.073 495 HD13 ILE 68 2HD1 ILE 68 -1.946 14.827 -1.293 496 H ALA 69 H ALA 69 -3.662 10.608 -4.726 497 HA ALA 69 HA ALA 69 -1.917 9.406 -6.736 498 HB1 ALA 69 3HB ALA 69 -0.613 8.149 -4.914 499 HB2 ALA 69 1HB ALA 69 -0.269 9.892 -4.999 500 HB3 ALA 69 2HB ALA 69 -1.329 9.258 -3.734 501 H ARG 70 H ARG 70 -2.010 6.994 -6.625 502 HA ARG 70 HA ARG 70 -4.542 5.892 -5.455 503 HE ARG 70 HE ARG 70 -7.324 7.354 -8.175 504 HB2 ARG 70 1HB ARG 70 -3.180 5.362 -8.124 505 HB3 ARG 70 2HB ARG 70 -4.079 4.100 -7.285 506 HG2 ARG 70 1HG ARG 70 -5.653 4.952 -8.727 507 HG3 ARG 70 2HG ARG 70 -6.049 5.635 -7.150 508 HD2 ARG 70 1HD ARG 70 -4.847 7.757 -7.878 509 HD3 ARG 70 2HD ARG 70 -4.641 7.020 -9.478 510 HH11 ARG 70 1HH1 ARG 70 -5.373 8.106 -11.008 511 HH12 ARG 70 2HH1 ARG 70 -6.739 8.786 -11.850 512 HH21 ARG 70 1HH2 ARG 70 -8.952 8.169 -9.276 513 HH22 ARG 70 2HH2 ARG 70 -8.746 8.822 -10.883 514 H HIS 71 H HIS 71 -4.399 4.060 -4.353 515 HA HIS 71 HA HIS 71 -1.692 2.916 -3.725 516 HD2 HIS 71 HD2 HIS 71 -2.700 0.525 -1.072 517 HE1 HIS 71 HE1 HIS 71 0.337 2.661 1.023 518 HE2 HIS 71 HE2 HIS 71 -0.830 0.408 0.778 519 HB2 HIS 71 1HB HIS 71 -2.910 4.404 -2.000 520 HB3 HIS 71 2HB HIS 71 -4.068 3.102 -1.840 521 H GLU 72 H GLU 72 -1.504 0.738 -3.741 522 HA GLU 72 HA GLU 72 -3.909 -0.994 -3.557 523 HB2 GLU 72 1HB GLU 72 -3.606 -0.912 -5.902 524 HB3 GLU 72 2HB GLU 72 -1.844 -1.000 -5.786 525 HG2 GLU 72 1HG GLU 72 -1.883 -3.271 -5.075 526 HG3 GLU 72 2HG GLU 72 -3.640 -3.260 -4.834 527 H TYR 73 H TYR 73 -3.586 -2.574 -2.144 528 HA TYR 73 HA TYR 73 -0.837 -3.542 -1.535 529 HD1 TYR 73 HD1 TYR 73 0.332 -4.492 0.771 530 HD2 TYR 73 HD2 TYR 73 -3.838 -4.166 1.835 531 HE1 TYR 73 HE1 TYR 73 0.607 -6.334 2.387 532 HE2 TYR 73 HE2 TYR 73 -3.553 -5.989 3.477 533 HH TYR 73 HH TYR 73 -2.083 -7.390 4.529 534 HB2 TYR 73 1HB TYR 73 -1.259 -2.257 0.382 535 HB3 TYR 73 2HB TYR 73 -2.974 -2.611 0.372 536 H THR 74 H THR 74 -0.755 -5.685 -1.883 537 HA THR 74 HA THR 74 -3.311 -7.272 -1.732 538 HB THR 74 HB THR 74 -3.059 -8.326 -3.686 539 HG1 THR 74 HG1 THR 74 -0.305 -7.642 -3.766 540 HG21 THR 74 3HG2 THR 74 -1.549 -5.840 -4.578 541 HG22 THR 74 1HG2 THR 74 -3.270 -5.803 -4.200 542 HG23 THR 74 2HG2 THR 74 -2.684 -6.838 -5.510 543 H PHE 75 H PHE 75 -3.178 -9.107 -0.630 544 HA PHE 75 HA PHE 75 -0.478 -10.051 0.296 545 HD1 PHE 75 HD1 PHE 75 0.413 -10.652 2.816 546 HD2 PHE 75 HD2 PHE 75 -3.801 -11.568 2.789 547 HE1 PHE 75 HE1 PHE 75 0.838 -12.588 4.218 548 HE2 PHE 75 HE2 PHE 75 -3.359 -13.594 4.143 549 HZ PHE 75 HZ PHE 75 -1.020 -14.155 4.812 550 HB2 PHE 75 1HB PHE 75 -1.322 -8.948 2.123 551 HB3 PHE 75 2HB PHE 75 -2.971 -9.452 1.878 552 H SER 76 H SER 76 -0.167 -12.221 -0.121 553 HA SER 76 HA SER 76 -2.485 -14.042 -0.718 554 HG SER 76 HG SER 76 -1.462 -13.863 -3.998 555 HB2 SER 76 1HB SER 76 -0.018 -13.429 -2.297 556 HB3 SER 76 2HB SER 76 -0.572 -15.101 -2.285 557 H ILE 77 H ILE 77 -2.355 -16.148 -0.021 558 HA ILE 77 HA ILE 77 0.110 -16.923 1.543 559 HB ILE 77 HB ILE 77 -2.702 -17.971 1.947 560 HG12 ILE 77 1HG1 ILE 77 -1.086 -15.820 3.270 561 HG13 ILE 77 2HG1 ILE 77 -2.778 -15.813 2.737 562 HG21 ILE 77 1HG2 ILE 77 -0.857 -19.637 2.376 563 HG22 ILE 77 2HG2 ILE 77 -0.140 -18.482 3.523 564 HG23 ILE 77 3HG2 ILE 77 -1.738 -19.194 3.833 565 HD11 ILE 77 3HD1 ILE 77 -2.742 -15.780 5.133 566 HD12 ILE 77 1HD1 ILE 77 -3.298 -17.393 4.641 567 HD13 ILE 77 2HD1 ILE 77 -1.617 -17.141 5.209 568 H MET 78 H MET 78 1.369 -18.399 0.682 569 HA MET 78 HA MET 78 0.218 -20.376 -1.217 570 HB2 MET 78 1HB MET 78 2.446 -20.375 -2.375 571 HB3 MET 78 2HB MET 78 1.436 -18.954 -2.624 572 HG2 MET 78 1HG MET 78 2.804 -17.568 -1.310 573 HG3 MET 78 2HG MET 78 3.583 -18.917 -0.495 574 HE1 MET 78 3HE MET 78 3.086 -17.472 -4.150 575 HE2 MET 78 1HE MET 78 4.545 -18.096 -4.957 576 HE3 MET 78 2HE MET 78 3.269 -19.217 -4.448 577 H ASP 79 H ASP 79 0.225 -22.316 -0.487 578 HA ASP 79 HA ASP 79 0.648 -24.244 0.568 579 HB2 ASP 79 1HB ASP 79 2.299 -24.106 -1.302 580 HB3 ASP 79 2HB ASP 79 3.514 -23.567 -0.140 581 H GLU 80 H GLU 80 3.567 -22.500 1.694 582 HA GLU 80 HA GLU 80 2.869 -23.017 4.551 583 HB2 GLU 80 1HB GLU 80 5.699 -23.314 3.518 584 HB3 GLU 80 2HB GLU 80 5.058 -23.741 5.100 585 HG2 GLU 80 1HG GLU 80 3.669 -25.529 3.879 586 HG3 GLU 80 2HG GLU 80 4.659 -25.148 2.453 587 H PHE 81 H PHE 81 3.409 -20.651 2.306 588 HA PHE 81 HA PHE 81 4.850 -18.921 4.324 589 HD1 PHE 81 HD1 PHE 81 6.999 -20.715 3.710 590 HD2 PHE 81 HD2 PHE 81 5.789 -19.630 -0.261 591 HE1 PHE 81 HE1 PHE 81 8.282 -22.641 2.793 592 HE2 PHE 81 HE2 PHE 81 6.999 -21.566 -1.191 593 HZ PHE 81 HZ PHE 81 8.284 -23.080 0.344 594 HB2 PHE 81 1HB PHE 81 5.158 -18.271 1.408 595 HB3 PHE 81 2HB PHE 81 6.271 -18.115 2.708 596 H GLN 82 H GLN 82 4.606 -16.610 3.718 597 HA GLN 82 HA GLN 82 1.907 -15.912 2.601 598 HB2 GLN 82 1HB GLN 82 3.192 -14.182 4.658 599 HB3 GLN 82 2HB GLN 82 1.487 -14.473 4.267 600 HG2 GLN 82 1HG GLN 82 1.670 -16.698 5.370 601 HG3 GLN 82 2HG GLN 82 3.263 -16.147 5.981 602 HE21 GLN 82 1HE2 GLN 82 3.251 -14.087 7.294 603 HE22 GLN 82 2HE2 GLN 82 1.818 -13.758 8.253 604 H GLU 83 H GLU 83 1.829 -14.139 1.330 605 HA GLU 83 HA GLU 83 4.388 -12.832 0.494 606 HB2 GLU 83 1HB GLU 83 2.038 -13.911 -1.106 607 HB3 GLU 83 2HB GLU 83 2.917 -12.515 -1.699 608 HG2 GLU 83 1HG GLU 83 5.016 -13.755 -1.659 609 HG3 GLU 83 2HG GLU 83 4.146 -15.228 -1.155 610 H TYR 84 H TYR 84 4.393 -10.735 0.609 611 HA TYR 84 HA TYR 84 1.841 -9.172 0.929 612 HD1 TYR 84 HD1 TYR 84 4.433 -10.939 3.393 613 HD2 TYR 84 HD2 TYR 84 1.322 -7.954 3.613 614 HE1 TYR 84 HE1 TYR 84 3.473 -12.091 5.394 615 HE2 TYR 84 HE2 TYR 84 0.442 -9.017 5.668 616 HH TYR 84 HH TYR 84 0.676 -10.723 7.186 617 HB2 TYR 84 1HB TYR 84 4.607 -8.753 2.120 618 HB3 TYR 84 2HB TYR 84 3.299 -7.594 2.193 619 H THR 85 H THR 85 1.565 -7.625 -0.646 620 HA THR 85 HA THR 85 3.981 -6.452 -1.893 621 HB THR 85 HB THR 85 3.486 -6.841 -4.059 622 HG1 THR 85 HG1 THR 85 1.461 -7.337 -4.859 623 HG21 THR 85 3HG2 THR 85 2.104 -9.315 -2.902 624 HG22 THR 85 1HG2 THR 85 3.859 -9.124 -3.056 625 HG23 THR 85 2HG2 THR 85 2.852 -9.157 -4.504 626 H MET 86 H MET 86 3.784 -4.358 -2.394 627 HA MET 86 HA MET 86 1.168 -2.940 -2.164 628 HB2 MET 86 1HB MET 86 2.149 -2.761 -0.011 629 HB3 MET 86 2HB MET 86 3.734 -2.302 -0.670 630 HG2 MET 86 1HG MET 86 2.651 -0.222 -1.562 631 HG3 MET 86 2HG MET 86 1.144 -0.726 -0.790 632 HE1 MET 86 3HE MET 86 4.435 1.335 -0.383 633 HE2 MET 86 1HE MET 86 4.983 0.864 1.240 634 HE3 MET 86 2HE MET 86 4.973 -0.326 -0.080 635 H LEU 87 H LEU 87 0.969 -1.248 -3.400 636 HA LEU 87 HA LEU 87 3.162 -0.140 -5.078 637 HG LEU 87 HG LEU 87 2.043 0.541 -7.428 638 HB2 LEU 87 1HB LEU 87 2.183 -2.201 -6.248 639 HB3 LEU 87 2HB LEU 87 0.647 -1.365 -6.277 640 HD11 LEU 87 1HD1 LEU 87 4.196 -0.671 -7.112 641 HD12 LEU 87 2HD1 LEU 87 3.863 -0.283 -8.814 642 HD13 LEU 87 3HD1 LEU 87 3.616 -1.940 -8.199 643 HD21 LEU 87 3HD2 LEU 87 1.241 -2.003 -8.894 644 HD22 LEU 87 1HD2 LEU 87 1.505 -0.408 -9.644 645 HD23 LEU 87 2HD2 LEU 87 0.172 -0.640 -8.498 646 H CYS 88 H CYS 88 2.875 1.906 -4.411 647 HA CYS 88 HA CYS 88 0.365 3.336 -5.007 648 HB2 CYS 88 1HB CYS 88 0.285 2.864 -2.602 649 HB3 CYS 88 2HB CYS 88 1.919 3.423 -2.408 650 H LEU 89 H LEU 89 0.734 5.297 -5.895 651 HA LEU 89 HA LEU 89 3.301 6.068 -6.924 652 HG LEU 89 HG LEU 89 2.367 9.250 -6.806 653 HB2 LEU 89 1HB LEU 89 1.285 6.701 -8.075 654 HB3 LEU 89 2HB LEU 89 0.629 7.482 -6.645 655 HD11 LEU 89 1HD1 LEU 89 4.076 7.943 -8.074 656 HD12 LEU 89 2HD1 LEU 89 3.688 9.529 -8.779 657 HD13 LEU 89 3HD1 LEU 89 3.035 8.041 -9.507 658 HD21 LEU 89 3HD2 LEU 89 1.522 10.374 -8.839 659 HD22 LEU 89 1HD2 LEU 89 0.204 9.689 -7.872 660 HD23 LEU 89 2HD2 LEU 89 0.754 8.865 -9.356 661 H LEU 90 H LEU 90 1.633 6.916 -3.929 662 HA LEU 90 HA LEU 90 3.704 8.944 -3.200 663 HG LEU 90 HG LEU 90 2.432 8.684 -0.140 664 HB2 LEU 90 1HB LEU 90 1.412 9.641 -2.872 665 HB3 LEU 90 2HB LEU 90 0.990 8.137 -2.084 666 HD11 LEU 90 1HD1 LEU 90 4.103 10.087 -1.370 667 HD12 LEU 90 2HD1 LEU 90 3.478 10.786 0.110 668 HD13 LEU 90 3HD1 LEU 90 2.881 11.382 -1.448 669 HD21 LEU 90 3HD2 LEU 90 1.100 10.513 0.758 670 HD22 LEU 90 1HD2 LEU 90 0.089 9.350 -0.116 671 HD23 LEU 90 2HD2 LEU 90 0.496 10.904 -0.875 672 H CYS 91 H CYS 91 1.945 6.245 -1.569 673 HA CYS 91 HA CYS 91 3.782 6.131 0.505 674 HB2 CYS 91 1HB CYS 91 1.758 4.096 -0.447 675 HB3 CYS 91 2HB CYS 91 2.547 4.019 1.120 676 H GLY 92 H GLY 92 3.693 4.209 -2.464 677 HA2 GLY 92 1HA GLY 92 6.057 3.838 -3.261 678 HA3 GLY 92 2HA GLY 92 6.378 3.096 -1.718 679 H LYS 93 H LYS 93 7.176 1.772 -3.700 680 HA LYS 93 HA LYS 93 5.261 -0.473 -4.152 681 HB2 LYS 93 1HB LYS 93 5.843 0.433 -6.229 682 HB3 LYS 93 2HB LYS 93 7.499 0.672 -5.766 683 HG2 LYS 93 1HG LYS 93 7.846 -1.852 -5.760 684 HG3 LYS 93 2HG LYS 93 6.163 -2.015 -6.257 685 HD2 LYS 93 1HD LYS 93 7.221 -2.172 -8.286 686 HD3 LYS 93 2HD LYS 93 6.830 -0.463 -8.281 687 HE2 LYS 93 1HE LYS 93 9.535 -1.739 -7.624 688 HE3 LYS 93 2HE LYS 93 9.091 -0.958 -9.137 689 HZ1 LYS 93 3HZ LYS 93 9.563 0.349 -6.523 690 HZ2 LYS 93 1HZ LYS 93 8.773 1.135 -7.744 691 HZ3 LYS 93 2HZ LYS 93 10.308 0.618 -7.928 692 H ALA 94 H ALA 94 5.585 -2.178 -2.969 693 HA ALA 94 HA ALA 94 8.317 -3.037 -2.304 694 HB1 ALA 94 3HB ALA 94 6.144 -2.467 -0.235 695 HB2 ALA 94 1HB ALA 94 7.700 -3.220 0.125 696 HB3 ALA 94 2HB ALA 94 7.647 -1.540 -0.441 697 H GLU 95 H GLU 95 8.516 -5.215 -1.470 698 HA GLU 95 HA GLU 95 6.162 -6.938 -1.431 699 HB2 GLU 95 1HB GLU 95 6.707 -6.967 -3.819 700 HB3 GLU 95 2HB GLU 95 8.401 -7.320 -3.457 701 HG2 GLU 95 1HG GLU 95 7.794 -9.529 -2.573 702 HG3 GLU 95 2HG GLU 95 6.086 -9.183 -2.824 703 H ASP 96 H ASP 96 6.398 -8.635 -0.060 704 HA ASP 96 HA ASP 96 9.056 -9.449 0.902 705 HB2 ASP 96 1HB ASP 96 7.842 -7.613 2.428 706 HB3 ASP 96 2HB ASP 96 6.829 -8.949 2.904 707 H THR 97 H THR 97 9.070 -11.579 1.870 708 HA THR 97 HA THR 97 6.509 -13.048 1.810 709 HB THR 97 HB THR 97 8.939 -14.485 0.800 710 HG1 THR 97 HG1 THR 97 8.319 -14.029 -1.301 711 HG21 THR 97 3HG2 THR 97 5.958 -14.766 0.275 712 HG22 THR 97 1HG2 THR 97 6.870 -15.748 1.428 713 HG23 THR 97 2HG2 THR 97 7.219 -15.879 -0.309 714 H ILE 98 H ILE 98 6.190 -14.374 3.512 715 HA ILE 98 HA ILE 98 8.444 -14.782 5.461 716 HB ILE 98 HB ILE 98 5.529 -14.526 6.184 717 HG12 ILE 98 1HG1 ILE 98 7.562 -12.281 5.953 718 HG13 ILE 98 2HG1 ILE 98 5.993 -12.423 5.136 719 HG21 ILE 98 1HG2 ILE 98 6.964 -15.621 7.796 720 HG22 ILE 98 2HG2 ILE 98 8.053 -14.198 7.819 721 HG23 ILE 98 3HG2 ILE 98 6.382 -14.099 8.430 722 HD11 ILE 98 3HD1 ILE 98 5.760 -10.779 6.855 723 HD12 ILE 98 1HD1 ILE 98 4.877 -12.222 7.396 724 HD13 ILE 98 2HD1 ILE 98 6.477 -11.838 8.079 725 H SER 99 H SER 99 8.820 -16.878 6.027 726 HA SER 99 HA SER 99 6.961 -18.989 5.097 727 HG SER 99 HG SER 99 10.800 -19.570 6.277 728 HB2 SER 99 1HB SER 99 8.733 -20.546 5.856 729 HB3 SER 99 2HB SER 99 9.227 -19.397 4.601 730 H ILE 100 H ILE 100 5.604 -20.133 6.360 731 HA ILE 100 HA ILE 100 5.727 -19.789 9.306 732 HB ILE 100 HB ILE 100 3.285 -19.424 9.382 733 HG12 ILE 100 1HG1 ILE 100 2.180 -18.380 7.392 734 HG13 ILE 100 2HG1 ILE 100 3.472 -18.984 6.366 735 HG21 ILE 100 1HG2 ILE 100 3.400 -17.063 8.935 736 HG22 ILE 100 2HG2 ILE 100 4.960 -17.599 9.575 737 HG23 ILE 100 3HG2 ILE 100 4.775 -17.275 7.837 738 HD11 ILE 100 3HD1 ILE 100 1.398 -20.358 6.309 739 HD12 ILE 100 1HD1 ILE 100 2.775 -21.310 6.870 740 HD13 ILE 100 2HD1 ILE 100 1.580 -20.706 8.040 741 H LEU 101 H LEU 101 4.002 -21.232 10.419 742 HA LEU 101 HA LEU 101 3.738 -23.913 9.182 743 HG LEU 101 HG LEU 101 6.665 -23.333 9.811 744 HB2 LEU 101 1HB LEU 101 5.108 -23.052 11.747 745 HB3 LEU 101 2HB LEU 101 4.561 -24.714 11.538 746 HD11 LEU 101 1HD1 LEU 101 8.240 -24.813 10.972 747 HD12 LEU 101 2HD1 LEU 101 6.924 -25.454 11.981 748 HD13 LEU 101 3HD1 LEU 101 7.412 -23.750 12.120 749 HD21 LEU 101 3HD2 LEU 101 5.719 -26.240 9.891 750 HD22 LEU 101 1HD2 LEU 101 7.121 -25.635 8.982 751 HD23 LEU 101 2HD2 LEU 101 5.499 -25.102 8.541 752 HA PRO 102 HA PRO 102 -0.207 -23.774 11.268 753 HB2 PRO 102 1HB PRO 102 -0.686 -26.395 11.943 754 HB3 PRO 102 2HB PRO 102 -0.738 -25.775 10.265 755 HG2 PRO 102 1HG PRO 102 1.566 -27.168 11.663 756 HG3 PRO 102 2HG PRO 102 0.874 -27.523 10.047 757 HD2 PRO 102 1HD PRO 102 3.096 -25.998 10.332 758 HD3 PRO 102 2HD PRO 102 1.865 -25.595 9.101 759 H ASP 103 H ASP 103 2.628 -24.795 12.937 760 HA ASP 103 HA ASP 103 1.550 -25.013 15.617 761 HB2 ASP 103 1HB ASP 103 3.610 -26.151 14.669 762 HB3 ASP 103 2HB ASP 103 4.412 -24.582 14.670 763 H ASP 104 H ASP 104 1.710 -22.322 13.731 764 HA ASP 104 HA ASP 104 1.795 -20.094 13.990 765 HB2 ASP 104 1HB ASP 104 -0.128 -20.609 15.384 766 HB3 ASP 104 2HB ASP 104 0.899 -20.720 16.813 767 HA PRO 105 HA PRO 105 6.049 -20.103 15.886 768 HB2 PRO 105 1HB PRO 105 7.550 -19.580 13.673 769 HB3 PRO 105 2HB PRO 105 6.924 -21.216 14.046 770 HG2 PRO 105 1HG PRO 105 5.709 -19.137 12.192 771 HG3 PRO 105 2HG PRO 105 6.061 -20.858 11.839 772 HD2 PRO 105 1HD PRO 105 3.589 -20.019 12.619 773 HD3 PRO 105 2HD PRO 105 4.244 -21.589 13.169 774 H ARG 106 H ARG 106 4.164 -17.749 14.253 775 HA ARG 106 HA ARG 106 4.200 -15.465 14.021 776 HE ARG 106 HE ARG 106 1.217 -16.805 17.635 777 HB2 ARG 106 1HB ARG 106 5.359 -15.638 16.830 778 HB3 ARG 106 2HB ARG 106 4.567 -14.225 16.108 779 HG2 ARG 106 1HG ARG 106 2.491 -15.565 15.778 780 HG3 ARG 106 2HG ARG 106 3.273 -16.942 16.572 781 HD2 ARG 106 1HD ARG 106 3.535 -15.561 18.637 782 HD3 ARG 106 2HD ARG 106 2.584 -14.278 17.843 783 HH11 ARG 106 1HH1 ARG 106 1.775 -14.392 20.131 784 HH12 ARG 106 2HH1 ARG 106 0.365 -14.911 21.020 785 HH21 ARG 106 1HH2 ARG 106 -0.391 -17.400 18.716 786 HH22 ARG 106 2HH2 ARG 106 -0.894 -16.624 20.222 787 H GLN 107 H GLN 107 6.170 -16.526 12.651 788 HA GLN 107 HA GLN 107 8.790 -15.876 12.721 789 HB2 GLN 107 1HB GLN 107 7.453 -17.085 10.937 790 HB3 GLN 107 2HB GLN 107 6.970 -15.516 10.313 791 HG2 GLN 107 1HG GLN 107 8.743 -16.231 8.927 792 HG3 GLN 107 2HG GLN 107 9.482 -15.027 9.958 793 HE21 GLN 107 1HE2 GLN 107 9.200 -18.462 9.193 794 HE22 GLN 107 2HE2 GLN 107 10.613 -18.983 10.120 Start of MODEL 18 1 HA CYS 2 HA CYS 2 -1.374 14.942 -10.588 2 H1 CYS 2 1H CYS 2 -1.197 15.689 -7.857 3 HB2 CYS 2 1HB CYS 2 -0.192 17.341 -10.681 4 HB3 CYS 2 2HB CYS 2 -1.887 17.113 -10.358 5 H GLY 3 H GLY 3 0.668 13.646 -8.677 6 HA2 GLY 3 1HA GLY 3 2.619 12.438 -8.970 7 HA3 GLY 3 2HA GLY 3 2.785 13.036 -10.614 8 H ASP 4 H ASP 4 2.663 15.885 -9.844 9 HA ASP 4 HA ASP 4 5.386 16.396 -8.926 10 HB2 ASP 4 1HB ASP 4 2.950 18.130 -9.435 11 HB3 ASP 4 2HB ASP 4 4.426 18.783 -8.721 12 H CYS 5 H CYS 5 2.367 15.714 -7.361 13 HA CYS 5 HA CYS 5 2.678 16.893 -4.830 14 HB2 CYS 5 1HB CYS 5 1.311 14.303 -5.733 15 HB3 CYS 5 2HB CYS 5 1.258 14.878 -4.107 16 H VAL 6 H VAL 6 4.270 14.052 -6.246 17 HA VAL 6 HA VAL 6 5.275 13.172 -3.559 18 HB VAL 6 HB VAL 6 5.587 11.021 -4.393 19 HG11 VAL 6 1HG1 VAL 6 3.274 10.336 -4.801 20 HG12 VAL 6 2HG1 VAL 6 3.349 11.593 -3.560 21 HG13 VAL 6 3HG1 VAL 6 2.818 11.990 -5.205 22 HG21 VAL 6 3HG2 VAL 6 4.412 11.789 -7.085 23 HG22 VAL 6 1HG2 VAL 6 6.137 11.454 -6.808 24 HG23 VAL 6 2HG2 VAL 6 4.937 10.189 -6.553 25 H GLU 7 H GLU 7 7.459 12.995 -3.157 26 HA GLU 7 HA GLU 7 9.371 14.455 -4.724 27 HB2 GLU 7 1HB GLU 7 9.567 14.193 -2.273 28 HB3 GLU 7 2HB GLU 7 9.723 12.468 -2.435 29 HG2 GLU 7 1HG GLU 7 11.822 12.816 -3.738 30 HG3 GLU 7 2HG GLU 7 11.681 14.551 -3.410 31 H LYS 8 H LYS 8 8.644 10.996 -4.380 32 HA LYS 8 HA LYS 8 10.093 10.342 -6.911 33 HB2 LYS 8 1HB LYS 8 10.025 8.687 -4.347 34 HB3 LYS 8 2HB LYS 8 10.800 8.222 -5.863 35 HG2 LYS 8 1HG LYS 8 12.347 10.228 -5.571 36 HG3 LYS 8 2HG LYS 8 11.626 10.462 -3.963 37 HD2 LYS 8 1HD LYS 8 12.314 8.114 -3.358 38 HD3 LYS 8 2HD LYS 8 13.081 7.978 -4.943 39 HE2 LYS 8 1HE LYS 8 14.870 8.511 -3.567 40 HE3 LYS 8 2HE LYS 8 14.463 10.060 -4.306 41 HZ1 LYS 8 3HZ LYS 8 13.605 9.194 -1.587 42 HZ2 LYS 8 1HZ LYS 8 13.311 10.676 -2.220 43 HZ3 LYS 8 2HZ LYS 8 14.833 10.218 -1.891 44 H GLU 9 H GLU 9 8.990 8.907 -8.210 45 HA GLU 9 HA GLU 9 6.161 8.301 -7.594 46 HB2 GLU 9 1HB GLU 9 8.002 7.882 -9.981 47 HB3 GLU 9 2HB GLU 9 6.416 7.111 -9.909 48 HG2 GLU 9 1HG GLU 9 5.242 9.008 -10.183 49 HG3 GLU 9 2HG GLU 9 6.426 10.050 -9.393 50 H TYR 10 H TYR 10 5.547 6.471 -6.572 51 HA TYR 10 HA TYR 10 5.683 4.469 -5.483 52 HD1 TYR 10 HD1 TYR 10 5.269 5.415 -9.211 53 HD2 TYR 10 HD2 TYR 10 3.694 2.057 -6.972 54 HE1 TYR 10 HE1 TYR 10 3.069 5.799 -10.210 55 HE2 TYR 10 HE2 TYR 10 1.443 2.497 -7.954 56 HH TYR 10 HH TYR 10 0.872 5.089 -10.356 57 HB2 TYR 10 1HB TYR 10 6.765 3.481 -8.128 58 HB3 TYR 10 2HB TYR 10 6.003 2.531 -6.884 59 HA PRO 11 HA PRO 11 10.259 4.852 -4.535 60 HB2 PRO 11 1HB PRO 11 9.960 5.508 -1.874 61 HB3 PRO 11 2HB PRO 11 9.925 6.727 -3.199 62 HG2 PRO 11 1HG PRO 11 7.558 5.379 -1.868 63 HG3 PRO 11 2HG PRO 11 7.861 7.127 -2.086 64 HD2 PRO 11 1HD PRO 11 6.332 5.810 -3.851 65 HD3 PRO 11 2HD PRO 11 7.551 6.942 -4.469 66 H ASN 12 H ASN 12 11.458 3.090 -3.564 67 HA ASN 12 HA ASN 12 9.814 0.828 -2.661 68 HB2 ASN 12 1HB ASN 12 12.849 1.174 -2.813 69 HB3 ASN 12 2HB ASN 12 12.002 -0.331 -2.451 70 HD21 ASN 12 1HD2 ASN 12 10.042 -0.637 -4.302 71 HD22 ASN 12 2HD2 ASN 12 10.751 -0.577 -5.914 72 H ARG 13 H ARG 13 9.686 -0.026 -0.570 73 HA ARG 13 HA ARG 13 10.659 1.796 1.616 74 HE ARG 13 HE ARG 13 8.454 4.103 3.181 75 HB2 ARG 13 1HB ARG 13 8.092 0.180 1.583 76 HB3 ARG 13 2HB ARG 13 8.655 1.275 2.847 77 HG2 ARG 13 1HG ARG 13 7.642 1.990 0.101 78 HG3 ARG 13 2HG ARG 13 6.945 2.368 1.672 79 HD2 ARG 13 1HD ARG 13 9.371 3.618 0.363 80 HD3 ARG 13 2HD ARG 13 7.870 4.384 0.807 81 HH11 ARG 13 1HH1 ARG 13 11.199 3.919 0.953 82 HH12 ARG 13 2HH1 ARG 13 12.290 4.532 2.165 83 HH21 ARG 13 1HH2 ARG 13 9.959 4.712 4.671 84 HH22 ARG 13 2HH2 ARG 13 11.622 4.908 4.209 85 H GLY 14 H GLY 14 12.129 -0.348 0.574 86 HA2 GLY 14 1HA GLY 14 13.466 -2.052 1.226 87 HA3 GLY 14 2HA GLY 14 13.256 -1.459 2.886 88 H ASN 15 H ASN 15 10.483 -2.478 1.361 89 HA ASN 15 HA ASN 15 9.523 -4.572 0.956 90 HB2 ASN 15 1HB ASN 15 9.750 -6.488 2.282 91 HB3 ASN 15 2HB ASN 15 11.364 -5.887 2.137 92 HD21 ASN 15 1HD2 ASN 15 10.601 -7.733 4.156 93 HD22 ASN 15 2HD2 ASN 15 10.688 -6.895 5.705 94 H THR 16 H THR 16 9.023 -2.124 3.076 95 HA THR 16 HA THR 16 6.907 -3.101 4.763 96 HB THR 16 HB THR 16 7.468 -0.271 3.813 97 HG1 THR 16 HG1 THR 16 9.225 -0.947 4.875 98 HG21 THR 16 3HG2 THR 16 6.420 0.375 6.000 99 HG22 THR 16 1HG2 THR 16 5.819 -1.293 6.139 100 HG23 THR 16 2HG2 THR 16 5.303 -0.244 4.786 101 H CYS 17 H CYS 17 4.876 -3.833 4.126 102 HA CYS 17 HA CYS 17 3.517 -2.483 1.840 103 HG CYS 17 HG CYS 17 4.530 -6.208 0.541 104 HB2 CYS 17 1HB CYS 17 3.418 -5.390 2.724 105 HB3 CYS 17 2HB CYS 17 2.471 -4.688 1.402 106 H LEU 18 H LEU 18 1.964 -1.214 2.673 107 HA LEU 18 HA LEU 18 0.328 -2.085 5.037 108 HG LEU 18 HG LEU 18 0.974 -0.455 7.062 109 HB2 LEU 18 1HB LEU 18 1.674 0.495 4.266 110 HB3 LEU 18 2HB LEU 18 0.154 0.585 5.118 111 HD11 LEU 18 1HD1 LEU 18 2.372 -2.235 6.401 112 HD12 LEU 18 2HD1 LEU 18 3.438 -1.119 7.251 113 HD13 LEU 18 3HD1 LEU 18 3.439 -1.164 5.468 114 HD21 LEU 18 3HD2 LEU 18 1.571 1.928 6.684 115 HD22 LEU 18 1HD2 LEU 18 3.136 1.417 6.008 116 HD23 LEU 18 2HD2 LEU 18 2.747 1.097 7.714 117 H GLU 19 H GLU 19 -1.737 -1.624 5.172 118 HA GLU 19 HA GLU 19 -3.282 -0.988 2.708 119 HB2 GLU 19 1HB GLU 19 -5.081 -2.136 3.726 120 HB3 GLU 19 2HB GLU 19 -3.685 -3.159 3.914 121 HG2 GLU 19 1HG GLU 19 -4.855 -1.416 6.113 122 HG3 GLU 19 2HG GLU 19 -5.243 -3.100 5.853 123 H ASN 20 H ASN 20 -2.060 0.721 5.248 124 HA ASN 20 HA ASN 20 -4.293 2.703 5.282 125 HB2 ASN 20 1HB ASN 20 -2.909 1.422 7.688 126 HB3 ASN 20 2HB ASN 20 -3.804 2.926 7.810 127 HD21 ASN 20 1HD2 ASN 20 -4.181 -0.094 8.709 128 HD22 ASN 20 2HD2 ASN 20 -5.907 -0.272 8.433 129 H GLY 21 H GLY 21 -3.715 4.805 6.001 130 HA2 GLY 21 1HA GLY 21 -2.286 6.523 6.693 131 HA3 GLY 21 2HA GLY 21 -0.878 5.521 6.386 132 H SER 22 H SER 22 -0.304 7.745 5.672 133 HA SER 22 HA SER 22 -0.308 7.978 2.723 134 HG SER 22 HG SER 22 -2.838 8.994 3.796 135 HB2 SER 22 1HB SER 22 -1.105 10.225 4.628 136 HB3 SER 22 2HB SER 22 -0.549 10.482 2.976 137 H PHE 23 H PHE 23 1.820 8.105 2.180 138 HA PHE 23 HA PHE 23 3.777 8.387 4.239 139 HD1 PHE 23 HD1 PHE 23 5.716 7.813 4.701 140 HD2 PHE 23 HD2 PHE 23 6.254 7.231 0.461 141 HE1 PHE 23 HE1 PHE 23 8.127 7.475 5.051 142 HE2 PHE 23 HE2 PHE 23 8.689 6.924 0.817 143 HZ PHE 23 HZ PHE 23 9.648 7.176 3.111 144 HB2 PHE 23 1HB PHE 23 3.845 6.800 2.382 145 HB3 PHE 23 2HB PHE 23 4.173 8.102 1.258 146 H LEU 24 H LEU 24 3.416 10.464 5.018 147 HA LEU 24 HA LEU 24 3.708 12.864 3.701 148 HG LEU 24 HG LEU 24 2.287 11.531 6.447 149 HB2 LEU 24 1HB LEU 24 4.568 12.259 6.557 150 HB3 LEU 24 2HB LEU 24 4.187 13.839 5.896 151 HD11 LEU 24 1HD1 LEU 24 1.194 13.147 7.919 152 HD12 LEU 24 2HD1 LEU 24 2.345 14.411 7.428 153 HD13 LEU 24 3HD1 LEU 24 2.907 12.990 8.338 154 HD21 LEU 24 3HD2 LEU 24 0.440 12.995 5.635 155 HD22 LEU 24 1HD2 LEU 24 1.493 12.455 4.336 156 HD23 LEU 24 2HD2 LEU 24 1.649 14.116 4.966 157 H LEU 25 H LEU 25 6.384 10.785 4.525 158 HA LEU 25 HA LEU 25 8.445 12.844 4.262 159 HG LEU 25 HG LEU 25 7.968 10.481 6.419 160 HB2 LEU 25 1HB LEU 25 8.616 9.819 4.160 161 HB3 LEU 25 2HB LEU 25 9.999 10.875 4.183 162 HD11 LEU 25 1HD1 LEU 25 10.971 9.972 6.281 163 HD12 LEU 25 2HD1 LEU 25 9.713 8.727 6.152 164 HD13 LEU 25 3HD1 LEU 25 9.901 9.634 7.660 165 HD21 LEU 25 3HD2 LEU 25 8.593 12.842 6.481 166 HD22 LEU 25 1HD2 LEU 25 10.315 12.425 6.302 167 HD23 LEU 25 2HD2 LEU 25 9.427 11.987 7.779 168 H ASN 26 H ASN 26 6.573 11.096 1.943 169 HA ASN 26 HA ASN 26 8.482 11.787 -0.291 170 HB2 ASN 26 1HB ASN 26 7.708 9.403 -0.019 171 HB3 ASN 26 2HB ASN 26 6.053 9.926 -0.255 172 HD21 ASN 26 1HD2 ASN 26 5.822 8.680 -2.267 173 HD22 ASN 26 2HD2 ASN 26 6.703 9.196 -3.714 174 H PHE 27 H PHE 27 5.192 12.294 1.026 175 HA PHE 27 HA PHE 27 4.237 13.800 -1.237 176 HD1 PHE 27 HD1 PHE 27 2.144 14.355 -1.898 177 HD2 PHE 27 HD2 PHE 27 1.870 15.705 2.176 178 HE1 PHE 27 HE1 PHE 27 0.333 15.965 -2.565 179 HE2 PHE 27 HE2 PHE 27 0.096 17.325 1.499 180 HZ PHE 27 HZ PHE 27 -0.692 17.412 -0.841 181 HB2 PHE 27 1HB PHE 27 2.743 12.877 0.456 182 HB3 PHE 27 2HB PHE 27 3.379 13.978 1.665 183 H THR 28 H THR 28 5.336 15.517 -2.013 184 HA THR 28 HA THR 28 6.813 17.376 -0.234 185 HB THR 28 HB THR 28 7.426 18.536 -2.348 186 HG1 THR 28 HG1 THR 28 6.839 17.579 -4.287 187 HG21 THR 28 3HG2 THR 28 8.859 16.769 -3.248 188 HG22 THR 28 1HG2 THR 28 7.863 15.532 -2.453 189 HG23 THR 28 2HG2 THR 28 8.820 16.666 -1.478 190 H GLY 29 H GLY 29 3.659 17.080 -1.210 191 HA2 GLY 29 1HA GLY 29 1.944 18.549 -0.433 192 HA3 GLY 29 2HA GLY 29 2.958 19.949 -0.705 193 H CYS 30 H CYS 30 0.308 19.401 -1.764 194 HA CYS 30 HA CYS 30 0.160 18.384 -4.304 195 HB2 CYS 30 1HB CYS 30 -1.669 19.212 -2.663 196 HB3 CYS 30 2HB CYS 30 -1.423 20.795 -3.358 197 H ALA 31 H ALA 31 -0.372 19.424 -6.275 198 HA ALA 31 HA ALA 31 1.147 21.944 -6.802 199 HB1 ALA 31 3HB ALA 31 2.143 21.232 -8.731 200 HB2 ALA 31 1HB ALA 31 2.242 19.759 -7.721 201 HB3 ALA 31 2HB ALA 31 0.989 19.931 -8.991 202 H VAL 32 H VAL 32 -1.911 20.403 -6.904 203 HA VAL 32 HA VAL 32 -2.965 22.121 -9.022 204 HB VAL 32 HB VAL 32 -4.299 20.316 -6.967 205 HG11 VAL 32 1HG1 VAL 32 -5.861 22.185 -7.263 206 HG12 VAL 32 2HG1 VAL 32 -5.757 22.013 -9.032 207 HG13 VAL 32 3HG1 VAL 32 -6.470 20.718 -8.028 208 HG21 VAL 32 3HG2 VAL 32 -3.314 19.213 -8.949 209 HG22 VAL 32 1HG2 VAL 32 -5.072 19.072 -8.934 210 HG23 VAL 32 2HG2 VAL 32 -4.283 20.248 -10.017 211 H CYS 33 H CYS 33 -2.655 22.181 -5.492 212 HA CYS 33 HA CYS 33 -3.509 25.038 -5.452 213 HB2 CYS 33 1HB CYS 33 -4.604 24.615 -3.377 214 HB3 CYS 33 2HB CYS 33 -5.233 23.491 -4.592 215 H SER 34 H SER 34 -0.976 22.890 -4.538 216 HA SER 34 HA SER 34 1.085 23.312 -3.662 217 HG SER 34 HG SER 34 2.619 26.348 -3.647 218 HB2 SER 34 1HB SER 34 0.629 25.681 -4.564 219 HB3 SER 34 2HB SER 34 0.468 26.119 -2.853 220 H LYS 35 H LYS 35 -1.307 22.450 -1.850 221 HA LYS 35 HA LYS 35 -0.302 23.269 0.849 222 HB2 LYS 35 1HB LYS 35 -2.732 21.805 -0.189 223 HB3 LYS 35 2HB LYS 35 -2.282 21.746 1.504 224 HG2 LYS 35 1HG LYS 35 -2.122 24.520 0.634 225 HG3 LYS 35 2HG LYS 35 -3.669 23.846 0.119 226 HD2 LYS 35 1HD LYS 35 -4.226 23.175 2.362 227 HD3 LYS 35 2HD LYS 35 -2.579 23.499 2.924 228 HE2 LYS 35 1HE LYS 35 -4.145 25.230 3.692 229 HE3 LYS 35 2HE LYS 35 -2.857 25.886 2.682 230 HZ1 LYS 35 3HZ LYS 35 -5.613 25.320 1.691 231 HZ2 LYS 35 1HZ LYS 35 -4.406 26.028 0.843 232 HZ3 LYS 35 2HZ LYS 35 -5.059 26.795 2.124 233 H ARG 36 H ARG 36 0.686 22.000 2.300 234 HA ARG 36 HA ARG 36 1.336 19.154 1.613 235 HE ARG 36 HE ARG 36 6.153 19.777 4.190 236 HB2 ARG 36 1HB ARG 36 3.244 20.803 1.635 237 HB3 ARG 36 2HB ARG 36 3.053 20.850 3.399 238 HG2 ARG 36 1HG ARG 36 3.476 18.444 3.560 239 HG3 ARG 36 2HG ARG 36 3.327 18.251 1.811 240 HD2 ARG 36 1HD ARG 36 5.505 18.395 1.678 241 HD3 ARG 36 2HD ARG 36 5.344 20.110 2.002 242 HH11 ARG 36 1HH1 ARG 36 5.646 16.606 2.726 243 HH12 ARG 36 2HH1 ARG 36 6.321 15.765 4.069 244 HH21 ARG 36 1HH2 ARG 36 7.097 18.631 5.856 245 HH22 ARG 36 2HH2 ARG 36 7.178 16.895 5.777 246 H ASP 37 H ASP 37 1.561 17.730 3.550 247 HA ASP 37 HA ASP 37 0.501 16.599 5.164 248 HB2 ASP 37 1HB ASP 37 0.571 17.460 7.352 249 HB3 ASP 37 2HB ASP 37 2.033 17.844 6.469 250 H PHE 38 H PHE 38 -1.206 17.755 3.329 251 HA PHE 38 HA PHE 38 -3.845 17.859 4.715 252 HD1 PHE 38 HD1 PHE 38 -2.200 20.181 5.372 253 HD2 PHE 38 HD2 PHE 38 -5.791 20.777 3.070 254 HE1 PHE 38 HE1 PHE 38 -2.807 22.101 6.808 255 HE2 PHE 38 HE2 PHE 38 -6.389 22.715 4.491 256 HZ PHE 38 HZ PHE 38 -4.899 23.381 6.376 257 HB2 PHE 38 1HB PHE 38 -2.699 19.551 2.539 258 HB3 PHE 38 2HB PHE 38 -4.378 19.101 2.418 259 H MET 39 H MET 39 -4.451 15.778 4.523 260 HA MET 39 HA MET 39 -5.337 14.934 1.918 261 HB2 MET 39 1HB MET 39 -4.196 12.630 2.051 262 HB3 MET 39 2HB MET 39 -3.311 13.976 1.411 263 HG2 MET 39 1HG MET 39 -2.961 13.679 4.344 264 HG3 MET 39 2HG MET 39 -2.530 12.229 3.459 265 HE1 MET 39 3HE MET 39 0.452 13.099 1.327 266 HE2 MET 39 1HE MET 39 -0.973 12.074 1.556 267 HE3 MET 39 2HE MET 39 -1.106 13.580 0.624 268 H LEU 40 H LEU 40 -6.646 13.301 1.769 269 HA LEU 40 HA LEU 40 -7.957 11.972 4.099 270 HG LEU 40 HG LEU 40 -10.453 14.662 3.204 271 HB2 LEU 40 1HB LEU 40 -9.047 13.601 1.777 272 HB3 LEU 40 2HB LEU 40 -9.965 12.259 2.324 273 HD11 LEU 40 1HD1 LEU 40 -11.700 12.599 3.821 274 HD12 LEU 40 2HD1 LEU 40 -11.478 13.642 5.229 275 HD13 LEU 40 3HD1 LEU 40 -10.455 12.202 5.027 276 HD21 LEU 40 3HD2 LEU 40 -8.531 13.728 5.338 277 HD22 LEU 40 1HD2 LEU 40 -9.622 15.117 5.418 278 HD23 LEU 40 2HD2 LEU 40 -8.300 15.102 4.231 279 H ILE 41 H ILE 41 -9.187 10.039 3.334 280 HA ILE 41 HA ILE 41 -8.140 8.708 0.881 281 HB ILE 41 HB ILE 41 -8.422 7.595 3.692 282 HG12 ILE 41 1HG1 ILE 41 -6.043 7.534 1.770 283 HG13 ILE 41 2HG1 ILE 41 -6.257 8.731 3.044 284 HG21 ILE 41 1HG2 ILE 41 -9.437 5.924 2.208 285 HG22 ILE 41 2HG2 ILE 41 -8.082 6.052 1.071 286 HG23 ILE 41 3HG2 ILE 41 -7.858 5.332 2.674 287 HD11 ILE 41 3HD1 ILE 41 -5.811 5.757 3.456 288 HD12 ILE 41 1HD1 ILE 41 -4.748 7.104 3.883 289 HD13 ILE 41 2HD1 ILE 41 -6.276 6.890 4.751 290 H THR 42 H THR 42 -9.738 7.822 -0.321 291 HA THR 42 HA THR 42 -12.386 7.295 0.849 292 HB THR 42 HB THR 42 -12.203 9.777 0.010 293 HG1 THR 42 HG1 THR 42 -14.403 9.615 -0.406 294 HG21 THR 42 3HG2 THR 42 -12.630 10.231 -2.225 295 HG22 THR 42 1HG2 THR 42 -13.267 8.616 -2.571 296 HG23 THR 42 2HG2 THR 42 -11.523 8.849 -2.399 297 H ASN 43 H ASN 43 -13.901 6.453 -0.885 298 HA ASN 43 HA ASN 43 -14.505 4.753 -2.186 299 HB2 ASN 43 1HB ASN 43 -14.251 5.288 -4.307 300 HB3 ASN 43 2HB ASN 43 -13.227 6.601 -3.742 301 HD21 ASN 43 1HD2 ASN 43 -10.799 5.657 -3.317 302 HD22 ASN 43 2HD2 ASN 43 -10.167 4.934 -4.802 303 H LYS 44 H LYS 44 -12.309 4.212 -0.207 304 HA LYS 44 HA LYS 44 -10.592 2.169 -0.915 305 HB2 LYS 44 1HB LYS 44 -10.781 3.488 1.254 306 HB3 LYS 44 2HB LYS 44 -12.054 2.341 1.730 307 HG2 LYS 44 1HG LYS 44 -10.536 0.464 1.680 308 HG3 LYS 44 2HG LYS 44 -9.281 1.425 0.909 309 HD2 LYS 44 1HD LYS 44 -9.240 2.902 2.971 310 HD3 LYS 44 2HD LYS 44 -10.272 1.681 3.760 311 HE2 LYS 44 1HE LYS 44 -8.548 -0.050 3.320 312 HE3 LYS 44 2HE LYS 44 -7.568 1.140 2.448 313 HZ1 LYS 44 3HZ LYS 44 -7.459 2.423 4.561 314 HZ2 LYS 44 1HZ LYS 44 -6.711 0.987 4.636 315 HZ3 LYS 44 2HZ LYS 44 -8.172 1.183 5.353 316 H SER 45 H SER 45 -10.891 0.381 -1.861 317 HA SER 45 HA SER 45 -13.275 -1.313 -1.293 318 HG SER 45 HG SER 45 -13.107 0.446 -3.587 319 HB2 SER 45 1HB SER 45 -11.430 -1.118 -3.720 320 HB3 SER 45 2HB SER 45 -12.657 -2.373 -3.517 321 H LEU 46 H LEU 46 -13.027 -3.559 -1.220 322 HA LEU 46 HA LEU 46 -10.360 -4.656 -0.650 323 HG LEU 46 HG LEU 46 -10.444 -6.652 1.036 324 HB2 LEU 46 1HB LEU 46 -11.049 -4.030 1.512 325 HB3 LEU 46 2HB LEU 46 -12.682 -4.633 1.296 326 HD11 LEU 46 1HD1 LEU 46 -11.358 -5.542 3.727 327 HD12 LEU 46 2HD1 LEU 46 -9.748 -5.323 3.008 328 HD13 LEU 46 3HD1 LEU 46 -10.286 -6.940 3.472 329 HD21 LEU 46 3HD2 LEU 46 -12.783 -7.428 0.844 330 HD22 LEU 46 1HD2 LEU 46 -13.144 -6.753 2.445 331 HD23 LEU 46 2HD2 LEU 46 -12.001 -8.100 2.269 332 H LYS 47 H LYS 47 -10.105 -6.702 -1.282 333 HA LYS 47 HA LYS 47 -12.401 -8.273 -2.326 334 HB2 LYS 47 1HB LYS 47 -10.583 -6.956 -3.979 335 HB3 LYS 47 2HB LYS 47 -9.815 -8.513 -3.751 336 HG2 LYS 47 1HG LYS 47 -11.954 -9.634 -4.416 337 HG3 LYS 47 2HG LYS 47 -12.570 -8.030 -4.879 338 HD2 LYS 47 1HD LYS 47 -10.639 -7.808 -6.473 339 HD3 LYS 47 2HD LYS 47 -10.095 -9.431 -5.992 340 HE2 LYS 47 1HE LYS 47 -12.405 -10.280 -6.693 341 HE3 LYS 47 2HE LYS 47 -12.687 -8.687 -7.410 342 HZ1 LYS 47 3HZ LYS 47 -11.809 -10.225 -9.058 343 HZ2 LYS 47 1HZ LYS 47 -10.518 -10.594 -8.124 344 HZ3 LYS 47 2HZ LYS 47 -10.664 -9.090 -8.781 345 H GLU 48 H GLU 48 -12.158 -10.514 -2.235 346 HA GLU 48 HA GLU 48 -9.653 -11.564 -1.003 347 HB2 GLU 48 1HB GLU 48 -12.418 -12.159 0.093 348 HB3 GLU 48 2HB GLU 48 -10.916 -12.930 0.606 349 HG2 GLU 48 1HG GLU 48 -10.080 -10.734 1.423 350 HG3 GLU 48 2HG GLU 48 -11.614 -9.995 0.964 351 H GLU 49 H GLU 49 -8.945 -13.087 -2.339 352 HA GLU 49 HA GLU 49 -10.855 -15.029 -3.566 353 HB2 GLU 49 1HB GLU 49 -8.361 -13.883 -4.853 354 HB3 GLU 49 2HB GLU 49 -9.262 -15.305 -5.417 355 HG2 GLU 49 1HG GLU 49 -11.311 -13.896 -5.659 356 HG3 GLU 49 2HG GLU 49 -10.392 -12.477 -5.147 357 H ASP 50 H ASP 50 -10.616 -17.007 -2.849 358 HA ASP 50 HA ASP 50 -9.774 -18.867 -1.817 359 HB2 ASP 50 1HB ASP 50 -9.121 -18.738 -4.306 360 HB3 ASP 50 2HB ASP 50 -7.495 -18.342 -3.761 361 H GLY 51 H GLY 51 -8.661 -16.443 -0.431 362 HA2 GLY 51 1HA GLY 51 -7.534 -16.790 1.787 363 HA3 GLY 51 2HA GLY 51 -6.244 -17.647 0.935 364 H GLU 52 H GLU 52 -6.595 -15.531 -1.322 365 HA GLU 52 HA GLU 52 -4.597 -13.634 -0.358 366 HB2 GLU 52 1HB GLU 52 -4.500 -14.480 -2.670 367 HB3 GLU 52 2HB GLU 52 -6.142 -13.878 -2.967 368 HG2 GLU 52 1HG GLU 52 -5.319 -11.529 -2.646 369 HG3 GLU 52 2HG GLU 52 -3.699 -12.152 -2.493 370 H GLU 53 H GLU 53 -4.951 -11.557 0.237 371 HA GLU 53 HA GLU 53 -7.738 -10.466 0.243 372 HB2 GLU 53 1HB GLU 53 -5.541 -10.003 2.304 373 HB3 GLU 53 2HB GLU 53 -7.122 -9.217 2.263 374 HG2 GLU 53 1HG GLU 53 -8.209 -11.461 2.544 375 HG3 GLU 53 2HG GLU 53 -6.614 -12.198 2.667 376 H ILE 54 H ILE 54 -7.974 -8.566 -0.846 377 HA ILE 54 HA ILE 54 -5.496 -7.076 -1.590 378 HB ILE 54 HB ILE 54 -7.986 -7.392 -3.312 379 HG12 ILE 54 1HG1 ILE 54 -6.030 -8.587 -4.783 380 HG13 ILE 54 2HG1 ILE 54 -5.421 -9.004 -3.191 381 HG21 ILE 54 1HG2 ILE 54 -6.864 -5.325 -3.688 382 HG22 ILE 54 2HG2 ILE 54 -5.276 -6.124 -3.690 383 HG23 ILE 54 3HG2 ILE 54 -6.433 -6.390 -5.022 384 HD11 ILE 54 3HD1 ILE 54 -6.823 -10.798 -4.132 385 HD12 ILE 54 1HD1 ILE 54 -7.660 -10.127 -2.722 386 HD13 ILE 54 2HD1 ILE 54 -8.153 -9.693 -4.377 387 H VAL 55 H VAL 55 -5.563 -4.884 -1.373 388 HA VAL 55 HA VAL 55 -8.129 -3.556 -0.593 389 HB VAL 55 HB VAL 55 -5.408 -3.075 0.696 390 HG11 VAL 55 1HG1 VAL 55 -6.641 -1.645 2.244 391 HG12 VAL 55 2HG1 VAL 55 -6.796 -1.059 0.586 392 HG13 VAL 55 3HG1 VAL 55 -8.156 -1.933 1.341 393 HG21 VAL 55 3HG2 VAL 55 -7.864 -4.501 1.786 394 HG22 VAL 55 1HG2 VAL 55 -6.245 -5.195 1.525 395 HG23 VAL 55 2HG2 VAL 55 -6.481 -3.974 2.777 396 H THR 56 H THR 56 -8.536 -2.037 -2.068 397 HA THR 56 HA THR 56 -6.241 -0.509 -3.228 398 HB THR 56 HB THR 56 -7.273 -0.367 -5.352 399 HG1 THR 56 HG1 THR 56 -9.118 -1.598 -5.825 400 HG21 THR 56 3HG2 THR 56 -6.907 -2.618 -6.124 401 HG22 THR 56 1HG2 THR 56 -7.315 -3.312 -4.545 402 HG23 THR 56 2HG2 THR 56 -5.817 -2.386 -4.747 403 H TYR 57 H TYR 57 -6.333 1.673 -3.210 404 HA TYR 57 HA TYR 57 -8.895 3.053 -2.882 405 HD1 TYR 57 HD1 TYR 57 -6.587 1.119 0.053 406 HD2 TYR 57 HD2 TYR 57 -6.310 5.400 -0.362 407 HE1 TYR 57 HE1 TYR 57 -4.626 1.150 1.596 408 HE2 TYR 57 HE2 TYR 57 -4.353 5.427 1.157 409 HH TYR 57 HH TYR 57 -2.986 4.200 2.509 410 HB2 TYR 57 1HB TYR 57 -8.452 4.146 -0.817 411 HB3 TYR 57 2HB TYR 57 -8.492 2.438 -0.644 412 H ASP 58 H ASP 58 -8.156 5.526 -2.136 413 HA ASP 58 HA ASP 58 -6.042 6.498 -4.007 414 HB2 ASP 58 1HB ASP 58 -8.998 7.341 -3.831 415 HB3 ASP 58 2HB ASP 58 -7.756 8.291 -4.622 416 H HIS 59 H HIS 59 -5.416 8.674 -3.464 417 HA HIS 59 HA HIS 59 -6.054 9.591 -0.675 418 HD1 HIS 59 HD1 HIS 59 -3.125 8.983 1.257 419 HD2 HIS 59 HD2 HIS 59 -2.793 7.604 -2.705 420 HE1 HIS 59 HE1 HIS 59 -1.663 6.921 1.327 421 HB2 HIS 59 1HB HIS 59 -3.558 10.189 -2.299 422 HB3 HIS 59 2HB HIS 59 -3.888 10.676 -0.652 423 H LEU 60 H LEU 60 -6.638 11.761 -0.430 424 HA LEU 60 HA LEU 60 -7.013 13.413 -2.895 425 HG LEU 60 HG LEU 60 -9.042 12.428 -3.746 426 HB2 LEU 60 1HB LEU 60 -9.076 12.827 -0.727 427 HB3 LEU 60 2HB LEU 60 -9.163 14.180 -1.843 428 HD11 LEU 60 1HD1 LEU 60 -8.570 10.404 -2.307 429 HD12 LEU 60 2HD1 LEU 60 -10.068 10.272 -3.202 430 HD13 LEU 60 3HD1 LEU 60 -10.096 10.688 -1.459 431 HD21 LEU 60 3HD2 LEU 60 -11.480 12.157 -3.669 432 HD22 LEU 60 1HD2 LEU 60 -11.022 13.791 -3.187 433 HD23 LEU 60 2HD2 LEU 60 -11.496 12.616 -1.947 434 H CYS 61 H CYS 61 -6.491 15.493 -2.685 435 HA CYS 61 HA CYS 61 -5.089 16.529 -0.448 436 HB2 CYS 61 1HB CYS 61 -5.051 17.138 -2.938 437 HB3 CYS 61 2HB CYS 61 -6.548 18.024 -2.676 438 H LYS 62 H LYS 62 -5.823 17.237 1.493 439 HA LYS 62 HA LYS 62 -8.635 17.435 2.128 440 HB2 LYS 62 1HB LYS 62 -7.106 16.875 3.859 441 HB3 LYS 62 2HB LYS 62 -6.073 18.240 3.523 442 HG2 LYS 62 1HG LYS 62 -7.115 18.601 5.612 443 HG3 LYS 62 2HG LYS 62 -7.706 19.800 4.476 444 HD2 LYS 62 1HD LYS 62 -9.784 18.353 4.171 445 HD3 LYS 62 2HD LYS 62 -9.148 17.311 5.459 446 HE2 LYS 62 1HE LYS 62 -9.078 19.268 6.999 447 HE3 LYS 62 2HE LYS 62 -9.738 20.292 5.718 448 HZ1 LYS 62 3HZ LYS 62 -11.477 19.529 7.229 449 HZ2 LYS 62 1HZ LYS 62 -11.140 17.964 6.927 450 HZ3 LYS 62 2HZ LYS 62 -11.753 18.917 5.745 451 H ASN 63 H ASN 63 -6.663 19.617 0.388 452 HA ASN 63 HA ASN 63 -8.192 22.029 1.184 453 HB2 ASN 63 1HB ASN 63 -5.770 22.171 1.185 454 HB3 ASN 63 2HB ASN 63 -5.682 21.671 -0.493 455 HD21 ASN 63 1HD2 ASN 63 -5.502 23.333 -1.939 456 HD22 ASN 63 2HD2 ASN 63 -6.130 24.959 -1.637 457 H CYS 64 H CYS 64 -7.092 20.618 -2.004 458 HA CYS 64 HA CYS 64 -9.498 21.801 -3.239 459 HB2 CYS 64 1HB CYS 64 -8.283 21.482 -5.339 460 HB3 CYS 64 2HB CYS 64 -7.423 22.493 -4.183 461 H HIS 65 H HIS 65 -8.752 18.802 -1.982 462 HA HIS 65 HA HIS 65 -9.417 16.666 -2.293 463 HD1 HIS 65 HD1 HIS 65 -12.120 19.649 -1.008 464 HD2 HIS 65 HD2 HIS 65 -10.975 15.673 -0.130 465 HE1 HIS 65 HE1 HIS 65 -12.086 19.453 1.561 466 HE2 HIS 65 HE2 HIS 65 -11.450 17.012 2.084 467 HB2 HIS 65 1HB HIS 65 -11.991 18.000 -3.117 468 HB3 HIS 65 2HB HIS 65 -11.815 16.292 -2.717 469 H HIS 66 H HIS 66 -8.064 17.875 -4.581 470 HA HIS 66 HA HIS 66 -8.747 16.314 -6.940 471 HD1 HIS 66 HD1 HIS 66 -5.904 16.055 -9.085 472 HD2 HIS 66 HD2 HIS 66 -4.432 17.393 -5.368 473 HE1 HIS 66 HE1 HIS 66 -3.388 15.927 -9.216 474 HB2 HIS 66 1HB HIS 66 -7.361 17.922 -7.612 475 HB3 HIS 66 2HB HIS 66 -6.714 18.174 -6.002 476 H VAL 67 H VAL 67 -7.799 14.214 -7.475 477 HA VAL 67 HA VAL 67 -6.988 12.587 -5.193 478 HB VAL 67 HB VAL 67 -7.173 11.897 -8.156 479 HG11 VAL 67 1HG1 VAL 67 -6.733 10.150 -5.697 480 HG12 VAL 67 2HG1 VAL 67 -7.169 9.545 -7.298 481 HG13 VAL 67 3HG1 VAL 67 -5.621 10.359 -7.068 482 HG21 VAL 67 3HG2 VAL 67 -9.039 11.248 -5.827 483 HG22 VAL 67 1HG2 VAL 67 -9.380 12.418 -7.121 484 HG23 VAL 67 2HG2 VAL 67 -9.228 10.702 -7.505 485 H ILE 68 H ILE 68 -5.119 12.924 -4.353 486 HA ILE 68 HA ILE 68 -2.761 13.980 -5.573 487 HB ILE 68 HB ILE 68 -3.354 12.518 -2.996 488 HG12 ILE 68 1HG1 ILE 68 -2.599 15.385 -3.729 489 HG13 ILE 68 2HG1 ILE 68 -4.230 14.824 -3.397 490 HG21 ILE 68 1HG2 ILE 68 -1.088 13.030 -2.179 491 HG22 ILE 68 2HG2 ILE 68 -0.980 11.957 -3.547 492 HG23 ILE 68 3HG2 ILE 68 -0.650 13.687 -3.765 493 HD11 ILE 68 3HD1 ILE 68 -3.626 14.294 -1.090 494 HD12 ILE 68 1HD1 ILE 68 -1.949 14.845 -1.391 495 HD13 ILE 68 2HD1 ILE 68 -3.269 15.995 -1.504 496 H ALA 69 H ALA 69 -3.728 10.626 -4.763 497 HA ALA 69 HA ALA 69 -1.981 9.429 -6.782 498 HB1 ALA 69 3HB ALA 69 -1.399 9.275 -3.778 499 HB2 ALA 69 1HB ALA 69 -0.669 8.182 -4.965 500 HB3 ALA 69 2HB ALA 69 -0.343 9.928 -5.037 501 H ARG 70 H ARG 70 -2.036 7.006 -6.631 502 HA ARG 70 HA ARG 70 -4.575 5.891 -5.494 503 HE ARG 70 HE ARG 70 -7.363 7.393 -8.190 504 HB2 ARG 70 1HB ARG 70 -3.220 5.404 -8.174 505 HB3 ARG 70 2HB ARG 70 -4.114 4.127 -7.354 506 HG2 ARG 70 1HG ARG 70 -5.699 5.005 -8.771 507 HG3 ARG 70 2HG ARG 70 -6.085 5.667 -7.183 508 HD2 ARG 70 1HD ARG 70 -4.883 7.797 -7.885 509 HD3 ARG 70 2HD ARG 70 -4.680 7.081 -9.496 510 HH11 ARG 70 1HH1 ARG 70 -5.403 8.220 -10.995 511 HH12 ARG 70 2HH1 ARG 70 -6.765 8.923 -11.824 512 HH21 ARG 70 1HH2 ARG 70 -8.987 8.240 -9.272 513 HH22 ARG 70 2HH2 ARG 70 -8.774 8.938 -10.859 514 H HIS 71 H HIS 71 -4.429 4.067 -4.405 515 HA HIS 71 HA HIS 71 -1.724 2.915 -3.776 516 HD2 HIS 71 HD2 HIS 71 -2.741 0.524 -1.119 517 HE1 HIS 71 HE1 HIS 71 0.272 2.679 0.986 518 HE2 HIS 71 HE2 HIS 71 -0.896 0.425 0.754 519 HB2 HIS 71 1HB HIS 71 -2.966 4.397 -2.059 520 HB3 HIS 71 2HB HIS 71 -4.114 3.086 -1.907 521 H GLU 72 H GLU 72 -1.528 0.734 -3.785 522 HA GLU 72 HA GLU 72 -3.928 -1.005 -3.606 523 HB2 GLU 72 1HB GLU 72 -3.612 -0.919 -5.954 524 HB3 GLU 72 2HB GLU 72 -1.852 -1.012 -5.829 525 HG2 GLU 72 1HG GLU 72 -1.904 -3.283 -5.109 526 HG3 GLU 72 2HG GLU 72 -3.659 -3.268 -4.875 527 H TYR 73 H TYR 73 -3.609 -2.556 -2.154 528 HA TYR 73 HA TYR 73 -0.861 -3.534 -1.555 529 HD1 TYR 73 HD1 TYR 73 0.289 -4.490 0.751 530 HD2 TYR 73 HD2 TYR 73 -3.883 -4.148 1.799 531 HE1 TYR 73 HE1 TYR 73 0.556 -6.318 2.385 532 HE2 TYR 73 HE2 TYR 73 -3.601 -5.946 3.472 533 HH TYR 73 HH TYR 73 -2.141 -7.355 4.527 534 HB2 TYR 73 1HB TYR 73 -1.307 -2.248 0.356 535 HB3 TYR 73 2HB TYR 73 -3.017 -2.611 0.333 536 H THR 74 H THR 74 -0.767 -5.678 -1.890 537 HA THR 74 HA THR 74 -3.317 -7.277 -1.764 538 HB THR 74 HB THR 74 -3.042 -8.326 -3.717 539 HG1 THR 74 HG1 THR 74 -0.290 -7.626 -3.770 540 HG21 THR 74 3HG2 THR 74 -1.544 -5.826 -4.595 541 HG22 THR 74 1HG2 THR 74 -3.268 -5.803 -4.229 542 HG23 THR 74 2HG2 THR 74 -2.665 -6.830 -5.536 543 H PHE 75 H PHE 75 -3.178 -9.106 -0.651 544 HA PHE 75 HA PHE 75 -0.480 -10.036 0.296 545 HD1 PHE 75 HD1 PHE 75 0.375 -10.628 2.809 546 HD2 PHE 75 HD2 PHE 75 -3.830 -11.571 2.765 547 HE1 PHE 75 HE1 PHE 75 0.809 -12.569 4.213 548 HE2 PHE 75 HE2 PHE 75 -3.385 -13.586 4.135 549 HZ PHE 75 HZ PHE 75 -1.046 -14.129 4.820 550 HB2 PHE 75 1HB PHE 75 -1.367 -8.934 2.112 551 HB3 PHE 75 2HB PHE 75 -3.008 -9.460 1.838 552 H SER 76 H SER 76 -0.149 -12.214 -0.094 553 HA SER 76 HA SER 76 -2.447 -14.049 -0.720 554 HG SER 76 HG SER 76 -1.384 -13.890 -3.989 555 HB2 SER 76 1HB SER 76 0.035 -13.427 -2.272 556 HB3 SER 76 2HB SER 76 -0.507 -15.102 -2.258 557 H ILE 77 H ILE 77 -2.309 -16.152 -0.010 558 HA ILE 77 HA ILE 77 0.144 -16.906 1.586 559 HB ILE 77 HB ILE 77 -2.669 -17.965 1.955 560 HG12 ILE 77 1HG1 ILE 77 -1.072 -15.812 3.300 561 HG13 ILE 77 2HG1 ILE 77 -2.756 -15.803 2.740 562 HG21 ILE 77 1HG2 ILE 77 -1.720 -19.184 3.853 563 HG22 ILE 77 2HG2 ILE 77 -0.822 -19.623 2.404 564 HG23 ILE 77 3HG2 ILE 77 -0.122 -18.465 3.559 565 HD11 ILE 77 3HD1 ILE 77 -1.636 -17.130 5.229 566 HD12 ILE 77 1HD1 ILE 77 -2.759 -15.769 5.135 567 HD13 ILE 77 2HD1 ILE 77 -3.307 -17.383 4.634 568 H MET 78 H MET 78 1.416 -18.376 0.716 569 HA MET 78 HA MET 78 0.274 -20.354 -1.186 570 HB2 MET 78 1HB MET 78 2.499 -20.353 -2.343 571 HB3 MET 78 2HB MET 78 1.488 -18.931 -2.593 572 HG2 MET 78 1HG MET 78 2.860 -17.543 -1.290 573 HG3 MET 78 2HG MET 78 3.633 -18.887 -0.460 574 HE1 MET 78 3HE MET 78 3.150 -17.469 -4.129 575 HE2 MET 78 1HE MET 78 4.612 -18.098 -4.926 576 HE3 MET 78 2HE MET 78 3.333 -19.215 -4.416 577 H ASP 79 H ASP 79 0.282 -22.294 -0.462 578 HA ASP 79 HA ASP 79 0.704 -24.223 0.587 579 HB2 ASP 79 1HB ASP 79 2.373 -24.078 -1.265 580 HB3 ASP 79 2HB ASP 79 3.574 -23.537 -0.089 581 H GLU 80 H GLU 80 3.597 -22.464 1.747 582 HA GLU 80 HA GLU 80 2.870 -22.985 4.596 583 HB2 GLU 80 1HB GLU 80 5.710 -23.285 3.588 584 HB3 GLU 80 2HB GLU 80 5.056 -23.707 5.168 585 HG2 GLU 80 1HG GLU 80 3.675 -25.496 3.945 586 HG3 GLU 80 2HG GLU 80 4.674 -25.124 2.525 587 H PHE 81 H PHE 81 3.444 -20.620 2.352 588 HA PHE 81 HA PHE 81 4.860 -18.886 4.382 589 HD1 PHE 81 HD1 PHE 81 6.987 -20.688 3.784 590 HD2 PHE 81 HD2 PHE 81 5.858 -19.563 -0.200 591 HE1 PHE 81 HE1 PHE 81 8.282 -22.608 2.877 592 HE2 PHE 81 HE2 PHE 81 7.083 -21.495 -1.122 593 HZ PHE 81 HZ PHE 81 8.333 -23.027 0.424 594 HB2 PHE 81 1HB PHE 81 5.184 -18.223 1.472 595 HB3 PHE 81 2HB PHE 81 6.286 -18.071 2.782 596 H GLN 82 H GLN 82 4.609 -16.576 3.792 597 HA GLN 82 HA GLN 82 1.915 -15.876 2.663 598 HB2 GLN 82 1HB GLN 82 3.188 -14.098 4.686 599 HB3 GLN 82 2HB GLN 82 1.481 -14.456 4.353 600 HG2 GLN 82 1HG GLN 82 1.652 -16.545 5.557 601 HG3 GLN 82 2HG GLN 82 3.361 -16.173 5.935 602 HE21 GLN 82 1HE2 GLN 82 0.024 -15.457 6.839 603 HE22 GLN 82 2HE2 GLN 82 0.481 -14.405 8.171 604 H GLU 83 H GLU 83 1.847 -14.111 1.387 605 HA GLU 83 HA GLU 83 4.406 -12.796 0.569 606 HB2 GLU 83 1HB GLU 83 2.087 -13.897 -1.057 607 HB3 GLU 83 2HB GLU 83 2.971 -12.505 -1.648 608 HG2 GLU 83 1HG GLU 83 5.073 -13.746 -1.558 609 HG3 GLU 83 2HG GLU 83 4.191 -15.214 -1.066 610 H TYR 84 H TYR 84 4.399 -10.696 0.680 611 HA TYR 84 HA TYR 84 1.830 -9.150 0.950 612 HD1 TYR 84 HD1 TYR 84 4.397 -10.891 3.467 613 HD2 TYR 84 HD2 TYR 84 1.252 -7.939 3.623 614 HE1 TYR 84 HE1 TYR 84 3.421 -12.047 5.459 615 HE2 TYR 84 HE2 TYR 84 0.349 -9.008 5.667 616 HH TYR 84 HH TYR 84 0.563 -10.718 7.184 617 HB2 TYR 84 1HB TYR 84 4.565 -8.700 2.189 618 HB3 TYR 84 2HB TYR 84 3.241 -7.557 2.239 619 H THR 85 H THR 85 1.561 -7.623 -0.640 620 HA THR 85 HA THR 85 3.991 -6.423 -1.849 621 HB THR 85 HB THR 85 3.551 -6.850 -4.015 622 HG1 THR 85 HG1 THR 85 1.539 -7.405 -4.844 623 HG21 THR 85 3HG2 THR 85 2.175 -9.325 -2.851 624 HG22 THR 85 1HG2 THR 85 3.931 -9.108 -2.973 625 HG23 THR 85 2HG2 THR 85 2.956 -9.179 -4.441 626 H MET 86 H MET 86 3.780 -4.345 -2.370 627 HA MET 86 HA MET 86 1.145 -2.946 -2.192 628 HB2 MET 86 1HB MET 86 2.122 -2.756 -0.033 629 HB3 MET 86 2HB MET 86 3.700 -2.266 -0.692 630 HG2 MET 86 1HG MET 86 2.580 -0.214 -1.588 631 HG3 MET 86 2HG MET 86 1.073 -0.750 -0.833 632 HE1 MET 86 3HE MET 86 4.877 -0.303 -0.065 633 HE2 MET 86 1HE MET 86 4.329 1.346 -0.400 634 HE3 MET 86 2HE MET 86 4.856 0.904 1.240 635 H LEU 87 H LEU 87 0.954 -1.253 -3.431 636 HA LEU 87 HA LEU 87 3.141 -0.151 -5.116 637 HG LEU 87 HG LEU 87 2.002 0.549 -7.448 638 HB2 LEU 87 1HB LEU 87 2.155 -2.206 -6.292 639 HB3 LEU 87 2HB LEU 87 0.620 -1.365 -6.302 640 HD11 LEU 87 1HD1 LEU 87 3.562 -1.927 -8.256 641 HD12 LEU 87 2HD1 LEU 87 4.149 -0.646 -7.184 642 HD13 LEU 87 3HD1 LEU 87 3.790 -0.270 -8.880 643 HD21 LEU 87 3HD2 LEU 87 0.115 -0.604 -8.512 644 HD22 LEU 87 1HD2 LEU 87 1.173 -1.967 -8.943 645 HD23 LEU 87 2HD2 LEU 87 1.437 -0.358 -9.665 646 H CYS 88 H CYS 88 2.852 1.903 -4.437 647 HA CYS 88 HA CYS 88 0.339 3.324 -5.049 648 HB2 CYS 88 1HB CYS 88 0.245 2.857 -2.642 649 HB3 CYS 88 2HB CYS 88 1.877 3.426 -2.440 650 H LEU 89 H LEU 89 0.713 5.289 -5.937 651 HA LEU 89 HA LEU 89 3.284 6.069 -6.946 652 HG LEU 89 HG LEU 89 2.335 9.248 -6.820 653 HB2 LEU 89 1HB LEU 89 1.273 6.700 -8.104 654 HB3 LEU 89 2HB LEU 89 0.607 7.472 -6.672 655 HD11 LEU 89 1HD1 LEU 89 3.027 8.051 -9.519 656 HD12 LEU 89 2HD1 LEU 89 4.061 7.963 -8.081 657 HD13 LEU 89 3HD1 LEU 89 3.659 9.545 -8.788 658 HD21 LEU 89 3HD2 LEU 89 0.177 9.680 -7.899 659 HD22 LEU 89 1HD2 LEU 89 0.740 8.857 -9.379 660 HD23 LEU 89 2HD2 LEU 89 1.499 10.369 -8.862 661 H LEU 90 H LEU 90 1.598 6.899 -3.958 662 HA LEU 90 HA LEU 90 3.665 8.921 -3.209 663 HG LEU 90 HG LEU 90 2.380 8.656 -0.159 664 HB2 LEU 90 1HB LEU 90 1.368 9.615 -2.893 665 HB3 LEU 90 2HB LEU 90 0.946 8.109 -2.107 666 HD11 LEU 90 1HD1 LEU 90 3.419 10.762 0.103 667 HD12 LEU 90 2HD1 LEU 90 2.832 11.357 -1.460 668 HD13 LEU 90 3HD1 LEU 90 4.054 10.062 -1.374 669 HD21 LEU 90 3HD2 LEU 90 0.037 9.316 -0.142 670 HD22 LEU 90 1HD2 LEU 90 0.437 10.870 -0.905 671 HD23 LEU 90 2HD2 LEU 90 1.038 10.487 0.733 672 H CYS 91 H CYS 91 1.894 6.210 -1.610 673 HA CYS 91 HA CYS 91 3.726 6.096 0.468 674 HB2 CYS 91 1HB CYS 91 1.693 4.067 -0.471 675 HB3 CYS 91 2HB CYS 91 2.477 4.003 1.100 676 H GLY 92 H GLY 92 3.654 4.181 -2.502 677 HA2 GLY 92 1HA GLY 92 6.034 3.806 -3.265 678 HA3 GLY 92 2HA GLY 92 6.315 3.039 -1.723 679 H LYS 93 H LYS 93 7.145 1.744 -3.745 680 HA LYS 93 HA LYS 93 5.226 -0.502 -4.144 681 HB2 LYS 93 1HB LYS 93 5.784 0.415 -6.265 682 HB3 LYS 93 2HB LYS 93 7.482 0.485 -5.888 683 HG2 LYS 93 1HG LYS 93 7.562 -2.042 -5.763 684 HG3 LYS 93 2HG LYS 93 5.847 -2.078 -6.199 685 HD2 LYS 93 1HD LYS 93 6.406 -0.913 -8.358 686 HD3 LYS 93 2HD LYS 93 8.121 -0.945 -7.901 687 HE2 LYS 93 1HE LYS 93 8.033 -3.431 -7.778 688 HE3 LYS 93 2HE LYS 93 6.328 -3.394 -8.244 689 HZ1 LYS 93 3HZ LYS 93 8.576 -2.421 -9.932 690 HZ2 LYS 93 1HZ LYS 93 7.000 -2.385 -10.363 691 HZ3 LYS 93 2HZ LYS 93 7.759 -3.814 -10.160 692 H ALA 94 H ALA 94 5.589 -2.162 -2.909 693 HA ALA 94 HA ALA 94 8.339 -3.008 -2.312 694 HB1 ALA 94 3HB ALA 94 7.710 -1.436 -0.481 695 HB2 ALA 94 1HB ALA 94 6.239 -2.388 -0.184 696 HB3 ALA 94 2HB ALA 94 7.832 -3.096 0.139 697 H GLU 95 H GLU 95 8.547 -5.158 -1.390 698 HA GLU 95 HA GLU 95 6.194 -6.886 -1.329 699 HB2 GLU 95 1HB GLU 95 6.774 -6.943 -3.701 700 HB3 GLU 95 2HB GLU 95 8.467 -7.269 -3.304 701 HG2 GLU 95 1HG GLU 95 7.874 -9.480 -2.416 702 HG3 GLU 95 2HG GLU 95 6.163 -9.156 -2.692 703 H ASP 96 H ASP 96 6.409 -8.576 0.037 704 HA ASP 96 HA ASP 96 9.046 -9.370 1.080 705 HB2 ASP 96 1HB ASP 96 7.945 -7.558 2.589 706 HB3 ASP 96 2HB ASP 96 6.705 -8.743 2.931 707 H THR 97 H THR 97 9.043 -11.498 2.049 708 HA THR 97 HA THR 97 6.499 -12.985 1.927 709 HB THR 97 HB THR 97 8.961 -14.408 0.971 710 HG1 THR 97 HG1 THR 97 8.729 -12.669 -0.452 711 HG21 THR 97 3HG2 THR 97 6.001 -14.716 0.369 712 HG22 THR 97 1HG2 THR 97 6.901 -15.699 1.533 713 HG23 THR 97 2HG2 THR 97 7.291 -15.803 -0.198 714 H ILE 98 H ILE 98 6.172 -14.336 3.619 715 HA ILE 98 HA ILE 98 8.406 -14.728 5.591 716 HB ILE 98 HB ILE 98 5.478 -14.540 6.315 717 HG12 ILE 98 1HG1 ILE 98 7.482 -12.259 6.195 718 HG13 ILE 98 2HG1 ILE 98 5.960 -12.406 5.287 719 HG21 ILE 98 1HG2 ILE 98 7.067 -15.622 7.895 720 HG22 ILE 98 2HG2 ILE 98 8.008 -14.110 7.945 721 HG23 ILE 98 3HG2 ILE 98 6.340 -14.174 8.566 722 HD11 ILE 98 3HD1 ILE 98 4.717 -12.287 7.482 723 HD12 ILE 98 1HD1 ILE 98 6.265 -11.884 8.265 724 HD13 ILE 98 2HD1 ILE 98 5.596 -10.813 7.026 725 H SER 99 H SER 99 8.827 -16.819 6.072 726 HA SER 99 HA SER 99 6.992 -18.948 5.138 727 HG SER 99 HG SER 99 10.846 -19.495 6.291 728 HB2 SER 99 1HB SER 99 8.783 -20.487 5.946 729 HB3 SER 99 2HB SER 99 9.239 -19.384 4.640 730 H ILE 100 H ILE 100 5.648 -20.107 6.412 731 HA ILE 100 HA ILE 100 5.769 -19.736 9.349 732 HB ILE 100 HB ILE 100 3.324 -19.345 9.436 733 HG12 ILE 100 1HG1 ILE 100 2.228 -18.295 7.446 734 HG13 ILE 100 2HG1 ILE 100 3.513 -18.914 6.421 735 HG21 ILE 100 1HG2 ILE 100 5.022 -17.541 9.626 736 HG22 ILE 100 2HG2 ILE 100 4.819 -17.204 7.894 737 HG23 ILE 100 3HG2 ILE 100 3.457 -16.993 9.009 738 HD11 ILE 100 3HD1 ILE 100 1.439 -20.276 6.360 739 HD12 ILE 100 1HD1 ILE 100 2.799 -21.236 6.955 740 HD13 ILE 100 2HD1 ILE 100 1.594 -20.602 8.099 741 H LEU 101 H LEU 101 3.864 -21.082 10.378 742 HA LEU 101 HA LEU 101 3.737 -23.851 9.316 743 HG LEU 101 HG LEU 101 6.550 -23.145 10.264 744 HB2 LEU 101 1HB LEU 101 4.757 -22.774 11.970 745 HB3 LEU 101 2HB LEU 101 4.268 -24.451 11.812 746 HD11 LEU 101 1HD1 LEU 101 6.570 -25.107 12.593 747 HD12 LEU 101 2HD1 LEU 101 7.012 -23.387 12.672 748 HD13 LEU 101 3HD1 LEU 101 7.993 -24.504 11.712 749 HD21 LEU 101 3HD2 LEU 101 5.589 -25.019 8.983 750 HD22 LEU 101 1HD2 LEU 101 5.647 -26.060 10.426 751 HD23 LEU 101 2HD2 LEU 101 7.148 -25.484 9.666 752 HA PRO 102 HA PRO 102 -0.456 -23.628 10.762 753 HB2 PRO 102 1HB PRO 102 -0.947 -26.065 11.977 754 HB3 PRO 102 2HB PRO 102 -0.827 -25.807 10.211 755 HG2 PRO 102 1HG PRO 102 1.339 -26.759 12.105 756 HG3 PRO 102 2HG PRO 102 0.858 -27.462 10.527 757 HD2 PRO 102 1HD PRO 102 2.982 -25.817 10.715 758 HD3 PRO 102 2HD PRO 102 1.869 -25.682 9.327 759 H ASP 103 H ASP 103 2.049 -24.116 13.110 760 HA ASP 103 HA ASP 103 0.469 -23.638 15.514 761 HB2 ASP 103 1HB ASP 103 3.464 -23.543 14.949 762 HB3 ASP 103 2HB ASP 103 2.741 -23.431 16.551 763 H ASP 104 H ASP 104 1.174 -21.584 13.014 764 HA ASP 104 HA ASP 104 1.412 -19.408 12.638 765 HB2 ASP 104 1HB ASP 104 -0.887 -19.531 13.488 766 HB3 ASP 104 2HB ASP 104 -0.322 -19.075 15.096 767 HA PRO 105 HA PRO 105 4.848 -18.594 15.712 768 HB2 PRO 105 1HB PRO 105 6.992 -18.781 14.024 769 HB3 PRO 105 2HB PRO 105 6.255 -20.202 14.824 770 HG2 PRO 105 1HG PRO 105 5.736 -19.180 12.013 771 HG3 PRO 105 2HG PRO 105 6.121 -20.851 12.528 772 HD2 PRO 105 1HD PRO 105 3.551 -20.036 12.112 773 HD3 PRO 105 2HD PRO 105 3.959 -21.165 13.440 774 H ARG 106 H ARG 106 3.971 -17.417 12.555 775 HA ARG 106 HA ARG 106 4.285 -15.489 11.371 776 HE ARG 106 HE ARG 106 1.887 -12.586 16.499 777 HB2 ARG 106 1HB ARG 106 2.990 -13.682 12.349 778 HB3 ARG 106 2HB ARG 106 2.241 -15.254 12.572 779 HG2 ARG 106 1HG ARG 106 3.002 -15.307 14.938 780 HG3 ARG 106 2HG ARG 106 3.761 -13.718 14.723 781 HD2 ARG 106 1HD ARG 106 1.542 -12.755 14.174 782 HD3 ARG 106 2HD ARG 106 0.791 -14.339 14.364 783 HH11 ARG 106 1HH1 ARG 106 0.200 -15.648 15.832 784 HH12 ARG 106 2HH1 ARG 106 -0.112 -15.880 17.528 785 HH21 ARG 106 1HH2 ARG 106 1.376 -12.989 18.598 786 HH22 ARG 106 2HH2 ARG 106 0.490 -14.422 19.027 787 H GLN 107 H GLN 107 6.768 -16.119 12.512 788 HA GLN 107 HA GLN 107 8.794 -15.259 13.216 789 HB2 GLN 107 1HB GLN 107 8.298 -13.680 10.667 790 HB3 GLN 107 2HB GLN 107 9.856 -14.194 11.315 791 HG2 GLN 107 1HG GLN 107 7.672 -15.975 10.159 792 HG3 GLN 107 2HG GLN 107 9.238 -15.616 9.451 793 HE21 GLN 107 1HE2 GLN 107 11.145 -16.729 10.317 794 HE22 GLN 107 2HE2 GLN 107 10.942 -18.096 11.404 Start of MODEL 19 1 HA CYS 2 HA CYS 2 -1.299 14.886 -10.629 2 H1 CYS 2 1H CYS 2 -1.181 15.622 -7.894 3 HB2 CYS 2 1HB CYS 2 -0.169 17.304 -10.695 4 HB3 CYS 2 2HB CYS 2 -1.863 17.034 -10.397 5 H GLY 3 H GLY 3 0.738 13.630 -8.680 6 HA2 GLY 3 1HA GLY 3 2.711 12.456 -8.936 7 HA3 GLY 3 2HA GLY 3 2.893 13.045 -10.579 8 H ASP 4 H ASP 4 2.711 15.904 -9.807 9 HA ASP 4 HA ASP 4 5.422 16.451 -8.870 10 HB2 ASP 4 1HB ASP 4 2.964 18.151 -9.390 11 HB3 ASP 4 2HB ASP 4 4.428 18.826 -8.672 12 H CYS 5 H CYS 5 2.399 15.725 -7.326 13 HA CYS 5 HA CYS 5 2.701 16.904 -4.801 14 HB2 CYS 5 1HB CYS 5 1.353 14.288 -5.653 15 HB3 CYS 5 2HB CYS 5 1.274 14.931 -4.054 16 H VAL 6 H VAL 6 4.341 14.093 -6.209 17 HA VAL 6 HA VAL 6 5.352 13.212 -3.527 18 HB VAL 6 HB VAL 6 5.676 11.059 -4.373 19 HG11 VAL 6 1HG1 VAL 6 2.895 12.019 -5.158 20 HG12 VAL 6 2HG1 VAL 6 3.361 10.368 -4.759 21 HG13 VAL 6 3HG1 VAL 6 3.442 11.625 -3.517 22 HG21 VAL 6 3HG2 VAL 6 5.005 10.228 -6.525 23 HG22 VAL 6 1HG2 VAL 6 4.471 11.828 -7.050 24 HG23 VAL 6 2HG2 VAL 6 6.200 11.495 -6.789 25 H GLU 7 H GLU 7 7.563 13.040 -3.137 26 HA GLU 7 HA GLU 7 9.427 14.477 -4.795 27 HB2 GLU 7 1HB GLU 7 9.748 14.441 -2.432 28 HB3 GLU 7 2HB GLU 7 9.788 12.693 -2.354 29 HG2 GLU 7 1HG GLU 7 11.904 12.591 -3.441 30 HG3 GLU 7 2HG GLU 7 11.841 14.303 -3.893 31 H LYS 8 H LYS 8 8.723 11.012 -4.416 32 HA LYS 8 HA LYS 8 10.081 10.435 -7.005 33 HB2 LYS 8 1HB LYS 8 10.328 8.859 -4.401 34 HB3 LYS 8 2HB LYS 8 10.790 8.199 -5.954 35 HG2 LYS 8 1HG LYS 8 12.097 10.752 -4.936 36 HG3 LYS 8 2HG LYS 8 12.574 9.182 -4.333 37 HD2 LYS 8 1HD LYS 8 14.104 9.782 -6.054 38 HD3 LYS 8 2HD LYS 8 13.152 8.408 -6.580 39 HE2 LYS 8 1HE LYS 8 13.485 9.871 -8.442 40 HE3 LYS 8 2HE LYS 8 11.776 9.902 -8.022 41 HZ1 LYS 8 3HZ LYS 8 12.137 12.047 -6.928 42 HZ2 LYS 8 1HZ LYS 8 12.708 12.133 -8.451 43 HZ3 LYS 8 2HZ LYS 8 13.755 11.977 -7.211 44 H GLU 9 H GLU 9 9.026 8.928 -8.232 45 HA GLU 9 HA GLU 9 6.222 8.304 -7.559 46 HB2 GLU 9 1HB GLU 9 8.041 7.880 -9.965 47 HB3 GLU 9 2HB GLU 9 6.459 7.112 -9.880 48 HG2 GLU 9 1HG GLU 9 5.290 8.991 -10.203 49 HG3 GLU 9 2HG GLU 9 6.421 10.039 -9.349 50 H TYR 10 H TYR 10 5.609 6.457 -6.564 51 HA TYR 10 HA TYR 10 5.766 4.463 -5.462 52 HD1 TYR 10 HD1 TYR 10 5.332 5.403 -9.197 53 HD2 TYR 10 HD2 TYR 10 3.755 2.059 -6.938 54 HE1 TYR 10 HE1 TYR 10 3.125 5.789 -10.187 55 HE2 TYR 10 HE2 TYR 10 1.504 2.503 -7.913 56 HH TYR 10 HH TYR 10 0.927 5.085 -10.322 57 HB2 TYR 10 1HB TYR 10 6.829 3.470 -8.112 58 HB3 TYR 10 2HB TYR 10 6.068 2.526 -6.861 59 HA PRO 11 HA PRO 11 10.354 4.846 -4.558 60 HB2 PRO 11 1HB PRO 11 10.089 5.545 -1.910 61 HB3 PRO 11 2HB PRO 11 10.029 6.745 -3.257 62 HG2 PRO 11 1HG PRO 11 7.687 5.406 -1.873 63 HG3 PRO 11 2HG PRO 11 7.985 7.154 -2.111 64 HD2 PRO 11 1HD PRO 11 6.437 5.824 -3.840 65 HD3 PRO 11 2HD PRO 11 7.650 6.946 -4.487 66 H ASN 12 H ASN 12 11.575 3.120 -3.474 67 HA ASN 12 HA ASN 12 9.910 0.853 -2.585 68 HB2 ASN 12 1HB ASN 12 12.949 1.215 -2.697 69 HB3 ASN 12 2HB ASN 12 12.112 -0.288 -2.314 70 HD21 ASN 12 1HD2 ASN 12 10.181 -0.658 -4.184 71 HD22 ASN 12 2HD2 ASN 12 10.925 -0.634 -5.781 72 H ARG 13 H ARG 13 9.779 0.036 -0.495 73 HA ARG 13 HA ARG 13 10.705 1.855 1.712 74 HE ARG 13 HE ARG 13 8.494 4.223 3.192 75 HB2 ARG 13 1HB ARG 13 8.104 0.294 1.591 76 HB3 ARG 13 2HB ARG 13 8.632 1.385 2.870 77 HG2 ARG 13 1HG ARG 13 7.746 2.102 0.086 78 HG3 ARG 13 2HG ARG 13 6.991 2.493 1.627 79 HD2 ARG 13 1HD ARG 13 9.472 3.718 0.397 80 HD3 ARG 13 2HD ARG 13 7.975 4.501 0.805 81 HH11 ARG 13 1HH1 ARG 13 11.282 3.974 1.029 82 HH12 ARG 13 2HH1 ARG 13 12.354 4.603 2.249 83 HH21 ARG 13 1HH2 ARG 13 9.968 4.873 4.697 84 HH22 ARG 13 2HH2 ARG 13 11.645 5.035 4.271 85 H GLY 14 H GLY 14 12.170 -0.415 0.785 86 HA2 GLY 14 1HA GLY 14 13.360 -2.207 1.673 87 HA3 GLY 14 2HA GLY 14 13.037 -1.484 3.257 88 H ASN 15 H ASN 15 10.701 -2.742 0.971 89 HA ASN 15 HA ASN 15 9.364 -4.508 0.802 90 HB2 ASN 15 1HB ASN 15 10.558 -5.768 3.298 91 HB3 ASN 15 2HB ASN 15 9.547 -6.508 2.092 92 HD21 ASN 15 1HD2 ASN 15 11.317 -8.087 2.289 93 HD22 ASN 15 2HD2 ASN 15 12.663 -7.883 1.152 94 H THR 16 H THR 16 8.938 -2.111 2.952 95 HA THR 16 HA THR 16 6.915 -3.144 4.748 96 HB THR 16 HB THR 16 7.483 -0.312 3.794 97 HG1 THR 16 HG1 THR 16 9.209 -0.957 4.867 98 HG21 THR 16 3HG2 THR 16 6.430 0.350 5.981 99 HG22 THR 16 1HG2 THR 16 5.795 -1.306 6.111 100 HG23 THR 16 2HG2 THR 16 5.306 -0.242 4.760 101 H CYS 17 H CYS 17 4.859 -3.843 4.170 102 HA CYS 17 HA CYS 17 3.493 -2.523 1.867 103 HG CYS 17 HG CYS 17 5.748 -4.984 1.825 104 HB2 CYS 17 1HB CYS 17 3.347 -5.422 2.764 105 HB3 CYS 17 2HB CYS 17 2.463 -4.701 1.412 106 H LEU 18 H LEU 18 1.969 -1.229 2.691 107 HA LEU 18 HA LEU 18 0.343 -2.025 5.086 108 HG LEU 18 HG LEU 18 0.977 -0.297 7.041 109 HB2 LEU 18 1HB LEU 18 1.664 0.527 4.206 110 HB3 LEU 18 2HB LEU 18 0.149 0.647 5.058 111 HD11 LEU 18 1HD1 LEU 18 2.325 -2.129 6.421 112 HD12 LEU 18 2HD1 LEU 18 3.409 -1.015 7.255 113 HD13 LEU 18 3HD1 LEU 18 3.424 -1.106 5.473 114 HD21 LEU 18 3HD2 LEU 18 2.784 1.249 7.613 115 HD22 LEU 18 1HD2 LEU 18 1.604 2.055 6.567 116 HD23 LEU 18 2HD2 LEU 18 3.153 1.500 5.891 117 H GLU 19 H GLU 19 -1.726 -1.699 5.185 118 HA GLU 19 HA GLU 19 -3.282 -1.240 2.701 119 HB2 GLU 19 1HB GLU 19 -5.091 -2.276 3.871 120 HB3 GLU 19 2HB GLU 19 -3.694 -3.303 4.043 121 HG2 GLU 19 1HG GLU 19 -4.587 -1.362 6.203 122 HG3 GLU 19 2HG GLU 19 -5.218 -2.996 6.045 123 H ASN 20 H ASN 20 -2.241 0.603 5.327 124 HA ASN 20 HA ASN 20 -4.302 2.675 4.835 125 HB2 ASN 20 1HB ASN 20 -3.777 1.353 7.528 126 HB3 ASN 20 2HB ASN 20 -4.402 2.991 7.420 127 HD21 ASN 20 1HD2 ASN 20 -5.487 0.016 8.045 128 HD22 ASN 20 2HD2 ASN 20 -7.097 0.163 7.362 129 H GLY 21 H GLY 21 -3.624 4.783 5.333 130 HA2 GLY 21 1HA GLY 21 -2.026 6.200 6.654 131 HA3 GLY 21 2HA GLY 21 -0.731 5.186 6.035 132 H SER 22 H SER 22 -0.123 7.524 5.613 133 HA SER 22 HA SER 22 -0.245 8.061 2.729 134 HG SER 22 HG SER 22 -2.784 8.863 3.845 135 HB2 SER 22 1HB SER 22 -1.103 10.153 4.784 136 HB3 SER 22 2HB SER 22 -0.580 10.520 3.138 137 H PHE 23 H PHE 23 1.891 8.104 2.260 138 HA PHE 23 HA PHE 23 3.840 8.466 4.312 139 HD1 PHE 23 HD1 PHE 23 5.829 8.006 4.746 140 HD2 PHE 23 HD2 PHE 23 6.300 7.250 0.524 141 HE1 PHE 23 HE1 PHE 23 8.255 7.725 5.060 142 HE2 PHE 23 HE2 PHE 23 8.745 7.017 0.839 143 HZ PHE 23 HZ PHE 23 9.744 7.378 3.107 144 HB2 PHE 23 1HB PHE 23 3.936 6.855 2.453 145 HB3 PHE 23 2HB PHE 23 4.230 8.162 1.328 146 H LEU 24 H LEU 24 3.384 10.574 5.039 147 HA LEU 24 HA LEU 24 3.606 12.937 3.687 148 HG LEU 24 HG LEU 24 2.351 11.570 6.488 149 HB2 LEU 24 1HB LEU 24 4.595 12.478 6.524 150 HB3 LEU 24 2HB LEU 24 4.058 14.000 5.830 151 HD11 LEU 24 1HD1 LEU 24 2.990 13.017 8.378 152 HD12 LEU 24 2HD1 LEU 24 1.254 13.105 8.046 153 HD13 LEU 24 3HD1 LEU 24 2.322 14.429 7.529 154 HD21 LEU 24 3HD2 LEU 24 0.391 12.916 5.784 155 HD22 LEU 24 1HD2 LEU 24 1.437 12.529 4.423 156 HD23 LEU 24 2HD2 LEU 24 1.485 14.161 5.134 157 H LEU 25 H LEU 25 6.377 11.004 4.677 158 HA LEU 25 HA LEU 25 8.370 13.074 4.274 159 HG LEU 25 HG LEU 25 7.994 10.983 6.571 160 HB2 LEU 25 1HB LEU 25 8.554 10.052 4.358 161 HB3 LEU 25 2HB LEU 25 9.957 11.077 4.233 162 HD11 LEU 25 1HD1 LEU 25 9.554 9.070 6.431 163 HD12 LEU 25 2HD1 LEU 25 9.923 10.104 7.815 164 HD13 LEU 25 3HD1 LEU 25 10.930 10.190 6.352 165 HD21 LEU 25 3HD2 LEU 25 9.632 12.475 7.735 166 HD22 LEU 25 1HD2 LEU 25 8.812 13.279 6.400 167 HD23 LEU 25 2HD2 LEU 25 10.484 12.704 6.191 168 H ASN 26 H ASN 26 6.606 11.118 1.991 169 HA ASN 26 HA ASN 26 8.538 11.837 -0.201 170 HB2 ASN 26 1HB ASN 26 7.795 9.459 0.029 171 HB3 ASN 26 2HB ASN 26 6.138 9.956 -0.245 172 HD21 ASN 26 1HD2 ASN 26 5.973 8.727 -2.258 173 HD22 ASN 26 2HD2 ASN 26 6.871 9.253 -3.687 174 H PHE 27 H PHE 27 5.235 12.322 1.040 175 HA PHE 27 HA PHE 27 4.295 13.836 -1.223 176 HD1 PHE 27 HD1 PHE 27 2.115 14.345 -1.873 177 HD2 PHE 27 HD2 PHE 27 1.992 15.769 2.184 178 HE1 PHE 27 HE1 PHE 27 0.323 15.990 -2.518 179 HE2 PHE 27 HE2 PHE 27 0.226 17.404 1.541 180 HZ PHE 27 HZ PHE 27 -0.629 17.474 -0.781 181 HB2 PHE 27 1HB PHE 27 2.780 12.888 0.449 182 HB3 PHE 27 2HB PHE 27 3.408 13.973 1.674 183 H THR 28 H THR 28 5.251 15.616 -1.950 184 HA THR 28 HA THR 28 6.647 17.505 -0.102 185 HB THR 28 HB THR 28 7.379 18.576 -2.324 186 HG1 THR 28 HG1 THR 28 6.006 17.611 -3.781 187 HG21 THR 28 3HG2 THR 28 8.872 17.238 -0.960 188 HG22 THR 28 1HG2 THR 28 9.103 16.828 -2.669 189 HG23 THR 28 2HG2 THR 28 8.176 15.739 -1.606 190 H GLY 29 H GLY 29 3.562 17.159 -0.884 191 HA2 GLY 29 1HA GLY 29 1.861 18.721 -0.392 192 HA3 GLY 29 2HA GLY 29 2.923 20.068 -0.743 193 H CYS 30 H CYS 30 0.271 19.480 -1.794 194 HA CYS 30 HA CYS 30 0.143 18.369 -4.306 195 HB2 CYS 30 1HB CYS 30 -1.706 19.246 -2.697 196 HB3 CYS 30 2HB CYS 30 -1.465 20.797 -3.454 197 H ALA 31 H ALA 31 -0.473 19.406 -6.262 198 HA ALA 31 HA ALA 31 0.999 21.925 -6.864 199 HB1 ALA 31 3HB ALA 31 0.966 19.864 -9.013 200 HB2 ALA 31 1HB ALA 31 2.071 21.205 -8.743 201 HB3 ALA 31 2HB ALA 31 2.190 19.753 -7.707 202 H VAL 32 H VAL 32 -2.003 20.241 -7.020 203 HA VAL 32 HA VAL 32 -3.071 21.878 -9.187 204 HB VAL 32 HB VAL 32 -4.381 20.094 -7.098 205 HG11 VAL 32 1HG1 VAL 32 -5.994 21.915 -7.427 206 HG12 VAL 32 2HG1 VAL 32 -5.864 21.736 -9.194 207 HG13 VAL 32 3HG1 VAL 32 -6.559 20.432 -8.190 208 HG21 VAL 32 3HG2 VAL 32 -5.126 18.810 -9.054 209 HG22 VAL 32 1HG2 VAL 32 -4.353 19.985 -10.148 210 HG23 VAL 32 2HG2 VAL 32 -3.371 18.983 -9.062 211 H CYS 33 H CYS 33 -2.839 22.054 -5.654 212 HA CYS 33 HA CYS 33 -3.751 24.896 -5.712 213 HB2 CYS 33 1HB CYS 33 -4.816 24.523 -3.627 214 HB3 CYS 33 2HB CYS 33 -5.427 23.332 -4.787 215 H SER 34 H SER 34 -1.221 22.780 -4.673 216 HA SER 34 HA SER 34 0.843 23.232 -3.835 217 HG SER 34 HG SER 34 2.285 25.233 -2.668 218 HB2 SER 34 1HB SER 34 0.469 25.556 -4.833 219 HB3 SER 34 2HB SER 34 0.217 26.084 -3.160 220 H LYS 35 H LYS 35 -1.605 22.530 -1.989 221 HA LYS 35 HA LYS 35 -0.650 23.479 0.669 222 HB2 LYS 35 1HB LYS 35 -2.926 21.726 -0.291 223 HB3 LYS 35 2HB LYS 35 -2.515 21.874 1.406 224 HG2 LYS 35 1HG LYS 35 -2.640 24.550 0.252 225 HG3 LYS 35 2HG LYS 35 -4.103 23.656 -0.164 226 HD2 LYS 35 1HD LYS 35 -4.481 23.073 2.163 227 HD3 LYS 35 2HD LYS 35 -2.982 23.886 2.651 228 HE2 LYS 35 1HE LYS 35 -5.401 25.238 1.344 229 HE3 LYS 35 2HE LYS 35 -5.116 25.178 3.084 230 HZ1 LYS 35 3HZ LYS 35 -3.040 26.414 2.724 231 HZ2 LYS 35 1HZ LYS 35 -4.320 27.260 2.176 232 HZ3 LYS 35 2HZ LYS 35 -3.334 26.512 1.116 233 H ARG 36 H ARG 36 0.196 22.214 2.307 234 HA ARG 36 HA ARG 36 1.062 19.423 1.674 235 HE ARG 36 HE ARG 36 5.245 17.427 2.088 236 HB2 ARG 36 1HB ARG 36 2.945 21.044 1.546 237 HB3 ARG 36 2HB ARG 36 2.747 21.334 3.285 238 HG2 ARG 36 1HG ARG 36 3.327 19.072 3.829 239 HG3 ARG 36 2HG ARG 36 3.038 18.515 2.167 240 HD2 ARG 36 1HD ARG 36 4.960 19.831 1.405 241 HD3 ARG 36 2HD ARG 36 5.312 20.286 3.081 242 HH11 ARG 36 1HH1 ARG 36 6.962 19.785 4.041 243 HH12 ARG 36 2HH1 ARG 36 8.036 18.568 4.673 244 HH21 ARG 36 1HH2 ARG 36 6.540 15.972 2.952 245 HH22 ARG 36 2HH2 ARG 36 7.817 16.450 4.044 246 H ASP 37 H ASP 37 1.361 18.075 3.639 247 HA ASP 37 HA ASP 37 0.353 16.958 5.286 248 HB2 ASP 37 1HB ASP 37 0.318 17.876 7.449 249 HB3 ASP 37 2HB ASP 37 1.786 18.307 6.598 250 H PHE 38 H PHE 38 -1.340 18.010 3.368 251 HA PHE 38 HA PHE 38 -4.030 18.005 4.652 252 HD1 PHE 38 HD1 PHE 38 -2.522 20.402 5.346 253 HD2 PHE 38 HD2 PHE 38 -6.022 20.835 2.872 254 HE1 PHE 38 HE1 PHE 38 -3.275 22.303 6.738 255 HE2 PHE 38 HE2 PHE 38 -6.763 22.759 4.245 256 HZ PHE 38 HZ PHE 38 -5.393 23.494 6.196 257 HB2 PHE 38 1HB PHE 38 -2.875 19.721 2.499 258 HB3 PHE 38 2HB PHE 38 -4.525 19.196 2.318 259 H MET 39 H MET 39 -4.520 15.903 4.475 260 HA MET 39 HA MET 39 -5.365 14.998 1.886 261 HB2 MET 39 1HB MET 39 -4.135 12.775 1.944 262 HB3 MET 39 2HB MET 39 -3.267 14.172 1.394 263 HG2 MET 39 1HG MET 39 -2.906 13.868 4.282 264 HG3 MET 39 2HG MET 39 -2.588 12.342 3.477 265 HE1 MET 39 3HE MET 39 0.422 13.051 1.183 266 HE2 MET 39 1HE MET 39 -0.961 12.002 1.549 267 HE3 MET 39 2HE MET 39 -1.190 13.467 0.569 268 H LEU 40 H LEU 40 -6.645 13.337 1.786 269 HA LEU 40 HA LEU 40 -7.864 12.034 4.180 270 HG LEU 40 HG LEU 40 -10.442 14.633 3.248 271 HB2 LEU 40 1HB LEU 40 -9.017 13.578 1.841 272 HB3 LEU 40 2HB LEU 40 -9.911 12.224 2.427 273 HD11 LEU 40 1HD1 LEU 40 -11.623 12.564 3.952 274 HD12 LEU 40 2HD1 LEU 40 -11.405 13.663 5.319 275 HD13 LEU 40 3HD1 LEU 40 -10.351 12.241 5.152 276 HD21 LEU 40 3HD2 LEU 40 -8.452 13.821 5.372 277 HD22 LEU 40 1HD2 LEU 40 -9.571 15.188 5.422 278 HD23 LEU 40 2HD2 LEU 40 -8.275 15.156 4.207 279 H ILE 41 H ILE 41 -9.056 10.068 3.542 280 HA ILE 41 HA ILE 41 -8.065 8.664 1.103 281 HB ILE 41 HB ILE 41 -8.361 7.608 3.933 282 HG12 ILE 41 1HG1 ILE 41 -5.959 7.548 2.041 283 HG13 ILE 41 2HG1 ILE 41 -6.195 8.741 3.317 284 HG21 ILE 41 1HG2 ILE 41 -8.021 6.055 1.317 285 HG22 ILE 41 2HG2 ILE 41 -7.754 5.337 2.912 286 HG23 ILE 41 3HG2 ILE 41 -9.353 5.910 2.477 287 HD11 ILE 41 3HD1 ILE 41 -4.704 7.135 4.196 288 HD12 ILE 41 1HD1 ILE 41 -6.252 6.867 5.008 289 HD13 ILE 41 2HD1 ILE 41 -5.717 5.771 3.709 290 H THR 42 H THR 42 -9.675 7.849 -0.085 291 HA THR 42 HA THR 42 -12.312 7.289 1.092 292 HB THR 42 HB THR 42 -12.166 9.756 0.197 293 HG1 THR 42 HG1 THR 42 -14.362 9.553 -0.226 294 HG21 THR 42 3HG2 THR 42 -13.212 8.551 -2.358 295 HG22 THR 42 1HG2 THR 42 -11.471 8.799 -2.192 296 HG23 THR 42 2HG2 THR 42 -12.589 10.174 -2.034 297 H ASN 43 H ASN 43 -13.803 6.443 -0.727 298 HA ASN 43 HA ASN 43 -14.262 4.750 -2.204 299 HB2 ASN 43 1HB ASN 43 -13.694 6.561 -3.648 300 HB3 ASN 43 2HB ASN 43 -11.978 6.288 -3.486 301 HD21 ASN 43 1HD2 ASN 43 -11.131 5.613 -5.330 302 HD22 ASN 43 2HD2 ASN 43 -11.930 4.509 -6.455 303 H LYS 44 H LYS 44 -12.209 4.222 -0.048 304 HA LYS 44 HA LYS 44 -10.367 2.228 -0.777 305 HB2 LYS 44 1HB LYS 44 -10.534 3.613 1.354 306 HB3 LYS 44 2HB LYS 44 -11.824 2.499 1.869 307 HG2 LYS 44 1HG LYS 44 -10.363 0.672 2.103 308 HG3 LYS 44 2HG LYS 44 -9.156 1.364 1.034 309 HD2 LYS 44 1HD LYS 44 -8.294 1.429 3.273 310 HD3 LYS 44 2HD LYS 44 -8.586 3.077 2.712 311 HE2 LYS 44 1HE LYS 44 -10.807 3.020 3.961 312 HE3 LYS 44 2HE LYS 44 -10.344 1.433 4.591 313 HZ1 LYS 44 3HZ LYS 44 -8.912 3.992 5.078 314 HZ2 LYS 44 1HZ LYS 44 -8.335 2.543 5.555 315 HZ3 LYS 44 2HZ LYS 44 -9.736 3.117 6.182 316 H SER 45 H SER 45 -10.767 0.452 -1.754 317 HA SER 45 HA SER 45 -13.156 -1.190 -1.087 318 HG SER 45 HG SER 45 -12.996 0.577 -3.427 319 HB2 SER 45 1HB SER 45 -11.394 -1.035 -3.580 320 HB3 SER 45 2HB SER 45 -12.643 -2.257 -3.346 321 H LEU 46 H LEU 46 -12.958 -3.451 -1.041 322 HA LEU 46 HA LEU 46 -10.289 -4.592 -0.570 323 HG LEU 46 HG LEU 46 -10.365 -6.612 1.109 324 HB2 LEU 46 1HB LEU 46 -10.932 -3.993 1.619 325 HB3 LEU 46 2HB LEU 46 -12.577 -4.572 1.421 326 HD11 LEU 46 1HD1 LEU 46 -9.641 -5.325 3.095 327 HD12 LEU 46 2HD1 LEU 46 -10.208 -6.936 3.546 328 HD13 LEU 46 3HD1 LEU 46 -11.253 -5.520 3.817 329 HD21 LEU 46 3HD2 LEU 46 -12.721 -7.353 0.923 330 HD22 LEU 46 1HD2 LEU 46 -13.056 -6.701 2.538 331 HD23 LEU 46 2HD2 LEU 46 -11.934 -8.061 2.328 332 H LYS 47 H LYS 47 -10.048 -6.628 -1.217 333 HA LYS 47 HA LYS 47 -12.361 -8.167 -2.257 334 HB2 LYS 47 1HB LYS 47 -10.518 -6.793 -3.874 335 HB3 LYS 47 2HB LYS 47 -9.864 -8.417 -3.822 336 HG2 LYS 47 1HG LYS 47 -12.181 -9.258 -4.446 337 HG3 LYS 47 2HG LYS 47 -12.643 -7.560 -4.663 338 HD2 LYS 47 1HD LYS 47 -12.163 -8.373 -6.833 339 HD3 LYS 47 2HD LYS 47 -10.750 -7.397 -6.391 340 HE2 LYS 47 1HE LYS 47 -9.520 -9.456 -5.760 341 HE3 LYS 47 2HE LYS 47 -10.968 -10.425 -6.050 342 HZ1 LYS 47 3HZ LYS 47 -9.548 -10.616 -7.908 343 HZ2 LYS 47 1HZ LYS 47 -9.400 -8.987 -8.115 344 HZ3 LYS 47 2HZ LYS 47 -10.829 -9.737 -8.409 345 H GLU 48 H GLU 48 -12.136 -10.408 -2.244 346 HA GLU 48 HA GLU 48 -9.651 -11.512 -0.996 347 HB2 GLU 48 1HB GLU 48 -12.451 -12.066 0.054 348 HB3 GLU 48 2HB GLU 48 -10.971 -12.876 0.571 349 HG2 GLU 48 1HG GLU 48 -10.092 -10.707 1.415 350 HG3 GLU 48 2HG GLU 48 -11.604 -9.928 0.952 351 H GLU 49 H GLU 49 -8.925 -13.044 -2.309 352 HA GLU 49 HA GLU 49 -10.831 -14.993 -3.541 353 HB2 GLU 49 1HB GLU 49 -8.294 -13.904 -4.799 354 HB3 GLU 49 2HB GLU 49 -9.191 -15.333 -5.345 355 HG2 GLU 49 1HG GLU 49 -11.230 -13.879 -5.638 356 HG3 GLU 49 2HG GLU 49 -10.237 -12.472 -5.248 357 H ASP 50 H ASP 50 -10.623 -16.956 -2.773 358 HA ASP 50 HA ASP 50 -9.821 -18.795 -1.682 359 HB2 ASP 50 1HB ASP 50 -9.139 -18.739 -4.166 360 HB3 ASP 50 2HB ASP 50 -7.510 -18.363 -3.610 361 H GLY 51 H GLY 51 -8.676 -16.355 -0.349 362 HA2 GLY 51 1HA GLY 51 -7.580 -16.678 1.895 363 HA3 GLY 51 2HA GLY 51 -6.285 -17.556 1.075 364 H GLU 52 H GLU 52 -6.606 -15.489 -1.230 365 HA GLU 52 HA GLU 52 -4.601 -13.597 -0.294 366 HB2 GLU 52 1HB GLU 52 -4.510 -14.480 -2.594 367 HB3 GLU 52 2HB GLU 52 -6.143 -13.853 -2.902 368 HG2 GLU 52 1HG GLU 52 -5.263 -11.510 -2.601 369 HG3 GLU 52 2HG GLU 52 -3.656 -12.181 -2.468 370 H GLU 53 H GLU 53 -4.928 -11.512 0.273 371 HA GLU 53 HA GLU 53 -7.702 -10.399 0.298 372 HB2 GLU 53 1HB GLU 53 -5.466 -9.970 2.323 373 HB3 GLU 53 2HB GLU 53 -7.012 -9.117 2.292 374 HG2 GLU 53 1HG GLU 53 -8.195 -11.306 2.599 375 HG3 GLU 53 2HG GLU 53 -6.631 -12.112 2.724 376 H ILE 54 H ILE 54 -7.932 -8.524 -0.811 377 HA ILE 54 HA ILE 54 -5.469 -7.048 -1.598 378 HB ILE 54 HB ILE 54 -7.983 -7.345 -3.284 379 HG12 ILE 54 1HG1 ILE 54 -6.095 -8.559 -4.784 380 HG13 ILE 54 2HG1 ILE 54 -5.395 -8.936 -3.216 381 HG21 ILE 54 1HG2 ILE 54 -6.428 -6.340 -5.001 382 HG22 ILE 54 2HG2 ILE 54 -6.818 -5.275 -3.651 383 HG23 ILE 54 3HG2 ILE 54 -5.250 -6.109 -3.685 384 HD11 ILE 54 3HD1 ILE 54 -6.809 -10.762 -4.122 385 HD12 ILE 54 1HD1 ILE 54 -7.508 -10.159 -2.613 386 HD13 ILE 54 2HD1 ILE 54 -8.192 -9.694 -4.185 387 H VAL 55 H VAL 55 -5.509 -4.857 -1.342 388 HA VAL 55 HA VAL 55 -8.058 -3.514 -0.538 389 HB VAL 55 HB VAL 55 -5.327 -3.082 0.743 390 HG11 VAL 55 1HG1 VAL 55 -8.048 -1.883 1.378 391 HG12 VAL 55 2HG1 VAL 55 -6.551 -1.652 2.321 392 HG13 VAL 55 3HG1 VAL 55 -6.643 -1.038 0.671 393 HG21 VAL 55 3HG2 VAL 55 -7.797 -4.475 1.843 394 HG22 VAL 55 1HG2 VAL 55 -6.197 -5.199 1.550 395 HG23 VAL 55 2HG2 VAL 55 -6.393 -3.990 2.819 396 H THR 56 H THR 56 -8.460 -1.970 -1.990 397 HA THR 56 HA THR 56 -6.160 -0.456 -3.165 398 HB THR 56 HB THR 56 -7.211 -0.304 -5.282 399 HG1 THR 56 HG1 THR 56 -9.393 -0.450 -4.719 400 HG21 THR 56 3HG2 THR 56 -5.796 -2.354 -4.683 401 HG22 THR 56 1HG2 THR 56 -6.912 -2.562 -6.047 402 HG23 THR 56 2HG2 THR 56 -7.320 -3.242 -4.463 403 H TYR 57 H TYR 57 -6.220 1.744 -3.077 404 HA TYR 57 HA TYR 57 -8.791 3.121 -2.687 405 HD1 TYR 57 HD1 TYR 57 -6.217 1.213 0.079 406 HD2 TYR 57 HD2 TYR 57 -6.293 5.517 -0.138 407 HE1 TYR 57 HE1 TYR 57 -4.206 1.340 1.543 408 HE2 TYR 57 HE2 TYR 57 -4.297 5.636 1.321 409 HH TYR 57 HH TYR 57 -2.796 4.470 2.570 410 HB2 TYR 57 1HB TYR 57 -8.320 4.162 -0.627 411 HB3 TYR 57 2HB TYR 57 -8.259 2.440 -0.464 412 H ASP 58 H ASP 58 -7.987 5.591 -1.907 413 HA ASP 58 HA ASP 58 -5.905 6.533 -3.834 414 HB2 ASP 58 1HB ASP 58 -8.727 7.660 -3.424 415 HB3 ASP 58 2HB ASP 58 -7.472 8.408 -4.389 416 H HIS 59 H HIS 59 -5.166 8.648 -3.270 417 HA HIS 59 HA HIS 59 -5.768 9.645 -0.500 418 HD1 HIS 59 HD1 HIS 59 -2.851 8.990 1.362 419 HD2 HIS 59 HD2 HIS 59 -2.613 7.664 -2.632 420 HE1 HIS 59 HE1 HIS 59 -1.437 6.886 1.371 421 HB2 HIS 59 1HB HIS 59 -3.326 10.262 -2.187 422 HB3 HIS 59 2HB HIS 59 -3.624 10.740 -0.525 423 H LEU 60 H LEU 60 -6.500 11.746 -0.363 424 HA LEU 60 HA LEU 60 -6.941 13.290 -2.880 425 HG LEU 60 HG LEU 60 -8.915 12.182 -3.753 426 HB2 LEU 60 1HB LEU 60 -8.997 12.599 -0.734 427 HB3 LEU 60 2HB LEU 60 -9.156 13.940 -1.854 428 HD11 LEU 60 1HD1 LEU 60 -9.897 10.397 -1.464 429 HD12 LEU 60 2HD1 LEU 60 -8.371 10.177 -2.330 430 HD13 LEU 60 3HD1 LEU 60 -9.878 9.952 -3.200 431 HD21 LEU 60 3HD2 LEU 60 -11.348 11.827 -3.690 432 HD22 LEU 60 1HD2 LEU 60 -10.943 13.481 -3.214 433 HD23 LEU 60 2HD2 LEU 60 -11.386 12.299 -1.972 434 H CYS 61 H CYS 61 -6.437 15.384 -2.712 435 HA CYS 61 HA CYS 61 -5.138 16.516 -0.474 436 HB2 CYS 61 1HB CYS 61 -5.082 17.078 -2.979 437 HB3 CYS 61 2HB CYS 61 -6.597 17.941 -2.743 438 H LYS 62 H LYS 62 -5.889 17.312 1.416 439 HA LYS 62 HA LYS 62 -8.715 17.407 2.036 440 HB2 LYS 62 1HB LYS 62 -7.175 16.965 3.803 441 HB3 LYS 62 2HB LYS 62 -6.213 18.371 3.442 442 HG2 LYS 62 1HG LYS 62 -7.343 18.728 5.508 443 HG3 LYS 62 2HG LYS 62 -7.919 19.871 4.312 444 HD2 LYS 62 1HD LYS 62 -9.909 18.207 3.954 445 HD3 LYS 62 2HD LYS 62 -9.304 17.402 5.402 446 HE2 LYS 62 1HE LYS 62 -11.063 18.868 6.085 447 HE3 LYS 62 2HE LYS 62 -9.541 19.541 6.676 448 HZ1 LYS 62 3HZ LYS 62 -11.006 21.224 5.636 449 HZ2 LYS 62 1HZ LYS 62 -10.926 20.446 4.199 450 HZ3 LYS 62 2HZ LYS 62 -9.588 21.120 4.833 451 H ASN 63 H ASN 63 -6.842 19.612 0.230 452 HA ASN 63 HA ASN 63 -8.487 21.974 0.943 453 HB2 ASN 63 1HB ASN 63 -6.114 22.306 0.925 454 HB3 ASN 63 2HB ASN 63 -5.966 21.673 -0.709 455 HD21 ASN 63 1HD2 ASN 63 -5.714 23.289 -2.194 456 HD22 ASN 63 2HD2 ASN 63 -6.519 24.859 -2.069 457 H CYS 64 H CYS 64 -7.264 20.576 -2.199 458 HA CYS 64 HA CYS 64 -9.697 21.558 -3.513 459 HB2 CYS 64 1HB CYS 64 -8.413 21.133 -5.575 460 HB3 CYS 64 2HB CYS 64 -7.644 22.269 -4.474 461 H HIS 65 H HIS 65 -8.875 18.622 -2.114 462 HA HIS 65 HA HIS 65 -9.455 16.449 -2.364 463 HD1 HIS 65 HD1 HIS 65 -12.416 19.249 -1.110 464 HD2 HIS 65 HD2 HIS 65 -10.870 15.410 -0.218 465 HE1 HIS 65 HE1 HIS 65 -12.393 19.051 1.459 466 HE2 HIS 65 HE2 HIS 65 -11.501 16.692 1.988 467 HB2 HIS 65 1HB HIS 65 -12.077 17.658 -3.218 468 HB3 HIS 65 2HB HIS 65 -11.831 15.961 -2.816 469 H HIS 66 H HIS 66 -8.146 17.666 -4.683 470 HA HIS 66 HA HIS 66 -8.743 16.020 -7.001 471 HD1 HIS 66 HD1 HIS 66 -5.861 15.818 -9.104 472 HD2 HIS 66 HD2 HIS 66 -4.483 17.315 -5.412 473 HE1 HIS 66 HE1 HIS 66 -3.344 15.767 -9.200 474 HB2 HIS 66 1HB HIS 66 -7.407 17.661 -7.706 475 HB3 HIS 66 2HB HIS 66 -6.797 17.988 -6.096 476 H VAL 67 H VAL 67 -7.738 13.968 -7.487 477 HA VAL 67 HA VAL 67 -6.870 12.389 -5.188 478 HB VAL 67 HB VAL 67 -7.061 11.696 -8.151 479 HG11 VAL 67 1HG1 VAL 67 -6.426 9.971 -5.722 480 HG12 VAL 67 2HG1 VAL 67 -6.936 9.331 -7.298 481 HG13 VAL 67 3HG1 VAL 67 -5.414 10.218 -7.160 482 HG21 VAL 67 3HG2 VAL 67 -8.822 10.921 -5.778 483 HG22 VAL 67 1HG2 VAL 67 -9.259 12.097 -7.038 484 HG23 VAL 67 2HG2 VAL 67 -9.035 10.396 -7.459 485 H ILE 68 H ILE 68 -5.037 12.861 -4.337 486 HA ILE 68 HA ILE 68 -2.701 13.962 -5.559 487 HB ILE 68 HB ILE 68 -3.297 12.544 -2.961 488 HG12 ILE 68 1HG1 ILE 68 -2.514 15.395 -3.720 489 HG13 ILE 68 2HG1 ILE 68 -4.160 14.845 -3.445 490 HG21 ILE 68 1HG2 ILE 68 -0.936 11.947 -3.447 491 HG22 ILE 68 2HG2 ILE 68 -0.574 13.656 -3.749 492 HG23 ILE 68 3HG2 ILE 68 -1.030 13.090 -2.134 493 HD11 ILE 68 3HD1 ILE 68 -3.644 14.330 -1.111 494 HD12 ILE 68 1HD1 ILE 68 -1.958 14.880 -1.353 495 HD13 ILE 68 2HD1 ILE 68 -3.275 16.028 -1.524 496 H ALA 69 H ALA 69 -3.611 10.614 -4.727 497 HA ALA 69 HA ALA 69 -1.874 9.417 -6.740 498 HB1 ALA 69 3HB ALA 69 -0.540 8.189 -4.915 499 HB2 ALA 69 1HB ALA 69 -0.205 9.932 -5.036 500 HB3 ALA 69 2HB ALA 69 -1.243 9.315 -3.745 501 H ARG 70 H ARG 70 -1.990 7.029 -6.666 502 HA ARG 70 HA ARG 70 -4.514 5.928 -5.465 503 HE ARG 70 HE ARG 70 -5.220 7.510 -10.526 504 HB2 ARG 70 1HB ARG 70 -3.007 5.258 -8.026 505 HB3 ARG 70 2HB ARG 70 -4.009 4.076 -7.183 506 HG2 ARG 70 1HG ARG 70 -5.273 5.001 -8.953 507 HG3 ARG 70 2HG ARG 70 -5.961 5.406 -7.373 508 HD2 ARG 70 1HD ARG 70 -5.527 7.683 -7.635 509 HD3 ARG 70 2HD ARG 70 -4.068 7.400 -8.576 510 HH11 ARG 70 1HH1 ARG 70 -7.712 7.075 -8.057 511 HH12 ARG 70 2HH1 ARG 70 -8.982 7.308 -9.234 512 HH21 ARG 70 1HH2 ARG 70 -6.897 7.799 -11.910 513 HH22 ARG 70 2HH2 ARG 70 -8.533 7.715 -11.333 514 H HIS 71 H HIS 71 -4.371 4.045 -4.403 515 HA HIS 71 HA HIS 71 -1.649 2.946 -3.708 516 HD2 HIS 71 HD2 HIS 71 -2.676 0.541 -1.060 517 HE1 HIS 71 HE1 HIS 71 0.390 2.651 1.021 518 HE2 HIS 71 HE2 HIS 71 -0.812 0.413 0.788 519 HB2 HIS 71 1HB HIS 71 -2.860 4.426 -1.981 520 HB3 HIS 71 2HB HIS 71 -4.022 3.126 -1.824 521 H GLU 72 H GLU 72 -1.463 0.758 -3.727 522 HA GLU 72 HA GLU 72 -3.869 -0.968 -3.547 523 HB2 GLU 72 1HB GLU 72 -3.561 -0.883 -5.895 524 HB3 GLU 72 2HB GLU 72 -1.800 -0.978 -5.775 525 HG2 GLU 72 1HG GLU 72 -1.855 -3.251 -5.054 526 HG3 GLU 72 2HG GLU 72 -3.614 -3.235 -4.837 527 H TYR 73 H TYR 73 -3.554 -2.571 -2.167 528 HA TYR 73 HA TYR 73 -0.812 -3.529 -1.530 529 HD1 TYR 73 HD1 TYR 73 0.328 -4.501 0.760 530 HD2 TYR 73 HD2 TYR 73 -3.828 -4.162 1.856 531 HE1 TYR 73 HE1 TYR 73 0.601 -6.365 2.358 532 HE2 TYR 73 HE2 TYR 73 -3.543 -5.999 3.483 533 HH TYR 73 HH TYR 73 -2.077 -7.418 4.512 534 HB2 TYR 73 1HB TYR 73 -1.242 -2.264 0.386 535 HB3 TYR 73 2HB TYR 73 -2.961 -2.610 0.368 536 H THR 74 H THR 74 -0.724 -5.673 -1.887 537 HA THR 74 HA THR 74 -3.280 -7.256 -1.766 538 HB THR 74 HB THR 74 -3.019 -8.286 -3.735 539 HG1 THR 74 HG1 THR 74 -0.270 -7.585 -3.805 540 HG21 THR 74 3HG2 THR 74 -3.240 -5.752 -4.206 541 HG22 THR 74 1HG2 THR 74 -2.662 -6.767 -5.534 542 HG23 THR 74 2HG2 THR 74 -1.522 -5.781 -4.595 543 H PHE 75 H PHE 75 -3.145 -9.102 -0.676 544 HA PHE 75 HA PHE 75 -0.446 -10.058 0.235 545 HD1 PHE 75 HD1 PHE 75 0.451 -10.632 2.737 546 HD2 PHE 75 HD2 PHE 75 -3.763 -11.531 2.781 547 HE1 PHE 75 HE1 PHE 75 0.893 -12.583 4.143 548 HE2 PHE 75 HE2 PHE 75 -3.308 -13.537 4.173 549 HZ PHE 75 HZ PHE 75 -0.955 -14.087 4.820 550 HB2 PHE 75 1HB PHE 75 -1.278 -8.930 2.058 551 HB3 PHE 75 2HB PHE 75 -2.932 -9.436 1.828 552 H SER 76 H SER 76 -0.150 -12.232 -0.151 553 HA SER 76 HA SER 76 -2.476 -14.056 -0.729 554 HG SER 76 HG SER 76 -1.332 -13.978 -3.981 555 HB2 SER 76 1HB SER 76 0.043 -13.509 -2.239 556 HB3 SER 76 2HB SER 76 -0.488 -15.181 -2.201 557 H ILE 77 H ILE 77 -2.384 -16.146 0.052 558 HA ILE 77 HA ILE 77 0.145 -16.945 1.529 559 HB ILE 77 HB ILE 77 -2.668 -17.955 2.097 560 HG12 ILE 77 1HG1 ILE 77 -1.036 -15.769 3.344 561 HG13 ILE 77 2HG1 ILE 77 -2.732 -15.759 2.807 562 HG21 ILE 77 1HG2 ILE 77 -0.092 -18.373 3.670 563 HG22 ILE 77 2HG2 ILE 77 -1.672 -19.122 3.972 564 HG23 ILE 77 3HG2 ILE 77 -0.763 -19.571 2.539 565 HD11 ILE 77 3HD1 ILE 77 -2.711 -15.697 5.203 566 HD12 ILE 77 1HD1 ILE 77 -3.266 -17.314 4.721 567 HD13 ILE 77 2HD1 ILE 77 -1.588 -17.061 5.298 568 H MET 78 H MET 78 1.246 -18.468 0.481 569 HA MET 78 HA MET 78 -0.252 -20.495 -1.062 570 HB2 MET 78 1HB MET 78 1.424 -20.734 -2.730 571 HB3 MET 78 2HB MET 78 0.434 -19.278 -2.802 572 HG2 MET 78 1HG MET 78 3.267 -19.433 -1.805 573 HG3 MET 78 2HG MET 78 2.750 -18.913 -3.417 574 HE1 MET 78 3HE MET 78 3.170 -18.230 0.171 575 HE2 MET 78 1HE MET 78 4.456 -17.385 -0.711 576 HE3 MET 78 2HE MET 78 3.276 -16.458 0.242 577 H ASP 79 H ASP 79 -0.143 -22.410 -0.453 578 HA ASP 79 HA ASP 79 0.396 -24.359 0.493 579 HB2 ASP 79 1HB ASP 79 1.966 -24.159 -1.441 580 HB3 ASP 79 2HB ASP 79 3.217 -23.610 -0.321 581 H GLU 80 H GLU 80 3.304 -22.532 1.516 582 HA GLU 80 HA GLU 80 2.707 -23.092 4.390 583 HB2 GLU 80 1HB GLU 80 5.501 -23.390 3.273 584 HB3 GLU 80 2HB GLU 80 4.902 -23.838 4.872 585 HG2 GLU 80 1HG GLU 80 3.484 -25.605 3.648 586 HG3 GLU 80 2HG GLU 80 4.452 -25.201 2.213 587 H PHE 81 H PHE 81 3.275 -20.698 2.131 588 HA PHE 81 HA PHE 81 4.728 -19.024 4.199 589 HD1 PHE 81 HD1 PHE 81 6.901 -20.818 3.660 590 HD2 PHE 81 HD2 PHE 81 5.685 -19.799 -0.328 591 HE1 PHE 81 HE1 PHE 81 8.186 -22.756 2.788 592 HE2 PHE 81 HE2 PHE 81 6.926 -21.770 -1.216 593 HZ PHE 81 HZ PHE 81 8.199 -23.238 0.348 594 HB2 PHE 81 1HB PHE 81 5.173 -18.330 1.326 595 HB3 PHE 81 2HB PHE 81 6.218 -18.260 2.672 596 H GLN 82 H GLN 82 4.565 -16.697 3.577 597 HA GLN 82 HA GLN 82 1.879 -15.918 2.505 598 HB2 GLN 82 1HB GLN 82 3.198 -14.183 4.534 599 HB3 GLN 82 2HB GLN 82 1.486 -14.507 4.204 600 HG2 GLN 82 1HG GLN 82 1.662 -16.636 5.390 601 HG3 GLN 82 2HG GLN 82 3.336 -16.202 5.839 602 HE21 GLN 82 1HE2 GLN 82 0.226 -16.156 7.040 603 HE22 GLN 82 2HE2 GLN 82 0.421 -14.807 8.151 604 H GLU 83 H GLU 83 1.849 -14.131 1.274 605 HA GLU 83 HA GLU 83 4.406 -12.812 0.488 606 HB2 GLU 83 1HB GLU 83 2.208 -13.967 -1.228 607 HB3 GLU 83 2HB GLU 83 2.958 -12.471 -1.752 608 HG2 GLU 83 1HG GLU 83 5.181 -13.545 -1.666 609 HG3 GLU 83 2HG GLU 83 4.420 -15.074 -1.229 610 H TYR 84 H TYR 84 4.405 -10.736 0.573 611 HA TYR 84 HA TYR 84 1.850 -9.167 0.887 612 HD1 TYR 84 HD1 TYR 84 4.427 -10.963 3.343 613 HD2 TYR 84 HD2 TYR 84 1.342 -7.957 3.603 614 HE1 TYR 84 HE1 TYR 84 3.474 -12.125 5.333 615 HE2 TYR 84 HE2 TYR 84 0.456 -9.047 5.647 616 HH TYR 84 HH TYR 84 1.908 -12.058 6.992 617 HB2 TYR 84 1HB TYR 84 4.610 -8.761 2.100 618 HB3 TYR 84 2HB TYR 84 3.301 -7.600 2.176 619 H THR 85 H THR 85 1.585 -7.618 -0.665 620 HA THR 85 HA THR 85 4.006 -6.422 -1.885 621 HB THR 85 HB THR 85 3.525 -6.759 -4.059 622 HG1 THR 85 HG1 THR 85 1.503 -7.219 -4.891 623 HG21 THR 85 3HG2 THR 85 2.118 -9.242 -2.963 624 HG22 THR 85 1HG2 THR 85 3.878 -9.053 -3.121 625 HG23 THR 85 2HG2 THR 85 2.863 -9.054 -4.566 626 H MET 86 H MET 86 3.806 -4.333 -2.382 627 HA MET 86 HA MET 86 1.188 -2.925 -2.160 628 HB2 MET 86 1HB MET 86 2.139 -2.747 0.002 629 HB3 MET 86 2HB MET 86 3.733 -2.279 -0.632 630 HG2 MET 86 1HG MET 86 2.637 -0.206 -1.548 631 HG3 MET 86 2HG MET 86 1.128 -0.724 -0.786 632 HE1 MET 86 3HE MET 86 4.390 1.351 -0.382 633 HE2 MET 86 1HE MET 86 4.935 0.912 1.253 634 HE3 MET 86 2HE MET 86 4.940 -0.299 -0.050 635 H LEU 87 H LEU 87 0.998 -1.243 -3.403 636 HA LEU 87 HA LEU 87 3.203 -0.146 -5.077 637 HG LEU 87 HG LEU 87 2.048 0.553 -7.411 638 HB2 LEU 87 1HB LEU 87 2.209 -2.200 -6.249 639 HB3 LEU 87 2HB LEU 87 0.676 -1.356 -6.256 640 HD11 LEU 87 1HD1 LEU 87 3.626 -1.910 -8.215 641 HD12 LEU 87 2HD1 LEU 87 4.200 -0.645 -7.121 642 HD13 LEU 87 3HD1 LEU 87 3.856 -0.246 -8.817 643 HD21 LEU 87 3HD2 LEU 87 1.251 -1.973 -8.903 644 HD22 LEU 87 1HD2 LEU 87 1.501 -0.363 -9.626 645 HD23 LEU 87 2HD2 LEU 87 0.175 -0.624 -8.478 646 H CYS 88 H CYS 88 2.922 1.901 -4.403 647 HA CYS 88 HA CYS 88 0.413 3.341 -4.992 648 HB2 CYS 88 1HB CYS 88 0.342 2.867 -2.590 649 HB3 CYS 88 2HB CYS 88 1.989 3.393 -2.404 650 H LEU 89 H LEU 89 0.792 5.306 -5.871 651 HA LEU 89 HA LEU 89 3.358 6.063 -6.914 652 HG LEU 89 HG LEU 89 2.414 9.243 -6.797 653 HB2 LEU 89 1HB LEU 89 1.341 6.689 -8.061 654 HB3 LEU 89 2HB LEU 89 0.685 7.469 -6.630 655 HD11 LEU 89 1HD1 LEU 89 3.721 9.533 -8.778 656 HD12 LEU 89 2HD1 LEU 89 3.078 8.040 -9.500 657 HD13 LEU 89 3HD1 LEU 89 4.126 7.951 -8.072 658 HD21 LEU 89 3HD2 LEU 89 0.800 8.846 -9.343 659 HD22 LEU 89 1HD2 LEU 89 1.555 10.360 -8.822 660 HD23 LEU 89 2HD2 LEU 89 0.242 9.660 -7.855 661 H LEU 90 H LEU 90 1.710 6.901 -3.909 662 HA LEU 90 HA LEU 90 3.765 8.948 -3.192 663 HG LEU 90 HG LEU 90 2.499 8.673 -0.126 664 HB2 LEU 90 1HB LEU 90 1.466 9.622 -2.856 665 HB3 LEU 90 2HB LEU 90 1.062 8.112 -2.069 666 HD11 LEU 90 1HD1 LEU 90 2.908 11.378 -1.432 667 HD12 LEU 90 2HD1 LEU 90 4.148 10.097 -1.365 668 HD13 LEU 90 3HD1 LEU 90 3.524 10.786 0.120 669 HD21 LEU 90 3HD2 LEU 90 1.156 10.494 0.773 670 HD22 LEU 90 1HD2 LEU 90 0.157 9.311 -0.086 671 HD23 LEU 90 2HD2 LEU 90 0.533 10.868 -0.858 672 H CYS 91 H CYS 91 2.039 6.230 -1.560 673 HA CYS 91 HA CYS 91 3.885 6.129 0.512 674 HB2 CYS 91 1HB CYS 91 1.863 4.087 -0.448 675 HB3 CYS 91 2HB CYS 91 2.664 3.990 1.109 676 H GLY 92 H GLY 92 3.754 4.185 -2.458 677 HA2 GLY 92 1HA GLY 92 6.135 3.826 -3.265 678 HA3 GLY 92 2HA GLY 92 6.435 3.064 -1.727 679 H LYS 93 H LYS 93 7.245 1.745 -3.723 680 HA LYS 93 HA LYS 93 5.309 -0.484 -4.124 681 HB2 LYS 93 1HB LYS 93 5.857 0.419 -6.241 682 HB3 LYS 93 2HB LYS 93 7.553 0.508 -5.866 683 HG2 LYS 93 1HG LYS 93 7.682 -2.012 -5.774 684 HG3 LYS 93 2HG LYS 93 5.957 -2.084 -6.122 685 HD2 LYS 93 1HD LYS 93 7.176 -2.543 -8.151 686 HD3 LYS 93 2HD LYS 93 6.366 -0.982 -8.335 687 HE2 LYS 93 1HE LYS 93 8.499 0.186 -7.796 688 HE3 LYS 93 2HE LYS 93 9.299 -1.381 -7.597 689 HZ1 LYS 93 3HZ LYS 93 8.821 -1.845 -9.944 690 HZ2 LYS 93 1HZ LYS 93 9.683 -0.467 -9.814 691 HZ3 LYS 93 2HZ LYS 93 8.084 -0.398 -10.128 692 H ALA 94 H ALA 94 5.647 -2.167 -2.940 693 HA ALA 94 HA ALA 94 8.378 -3.041 -2.302 694 HB1 ALA 94 3HB ALA 94 6.215 -2.417 -0.236 695 HB2 ALA 94 1HB ALA 94 7.766 -3.175 0.137 696 HB3 ALA 94 2HB ALA 94 7.726 -1.506 -0.460 697 H GLU 95 H GLU 95 8.555 -5.218 -1.434 698 HA GLU 95 HA GLU 95 6.190 -6.923 -1.403 699 HB2 GLU 95 1HB GLU 95 6.750 -6.951 -3.782 700 HB3 GLU 95 2HB GLU 95 8.438 -7.315 -3.405 701 HG2 GLU 95 1HG GLU 95 7.809 -9.525 -2.534 702 HG3 GLU 95 2HG GLU 95 6.104 -9.165 -2.794 703 H ASP 96 H ASP 96 6.410 -8.638 -0.036 704 HA ASP 96 HA ASP 96 9.057 -9.459 0.957 705 HB2 ASP 96 1HB ASP 96 7.819 -7.626 2.473 706 HB3 ASP 96 2HB ASP 96 6.801 -8.962 2.929 707 H THR 97 H THR 97 9.058 -11.592 1.921 708 HA THR 97 HA THR 97 6.504 -13.066 1.818 709 HB THR 97 HB THR 97 8.952 -14.498 0.847 710 HG1 THR 97 HG1 THR 97 8.403 -14.016 -1.266 711 HG21 THR 97 3HG2 THR 97 6.901 -15.798 1.373 712 HG22 THR 97 1HG2 THR 97 7.263 -15.858 -0.362 713 HG23 THR 97 2HG2 THR 97 5.997 -14.770 0.253 714 H ILE 98 H ILE 98 6.167 -14.444 3.468 715 HA ILE 98 HA ILE 98 8.371 -14.890 5.454 716 HB ILE 98 HB ILE 98 5.445 -14.679 6.186 717 HG12 ILE 98 1HG1 ILE 98 7.456 -12.406 6.012 718 HG13 ILE 98 2HG1 ILE 98 5.897 -12.551 5.173 719 HG21 ILE 98 1HG2 ILE 98 6.311 -14.330 8.434 720 HG22 ILE 98 2HG2 ILE 98 7.022 -15.780 7.751 721 HG23 ILE 98 3HG2 ILE 98 7.979 -14.276 7.813 722 HD11 ILE 98 3HD1 ILE 98 4.750 -12.409 7.415 723 HD12 ILE 98 1HD1 ILE 98 6.334 -12.038 8.139 724 HD13 ILE 98 2HD1 ILE 98 5.636 -10.947 6.933 725 H SER 99 H SER 99 8.753 -16.989 5.950 726 HA SER 99 HA SER 99 6.920 -19.082 4.942 727 HG SER 99 HG SER 99 10.720 -19.668 6.259 728 HB2 SER 99 1HB SER 99 8.664 -20.652 5.784 729 HB3 SER 99 2HB SER 99 9.205 -19.519 4.536 730 H ILE 100 H ILE 100 5.529 -20.261 6.180 731 HA ILE 100 HA ILE 100 5.576 -19.891 9.128 732 HB ILE 100 HB ILE 100 3.134 -19.496 9.150 733 HG12 ILE 100 1HG1 ILE 100 2.098 -18.417 7.139 734 HG13 ILE 100 2HG1 ILE 100 3.397 -19.056 6.145 735 HG21 ILE 100 1HG2 ILE 100 4.676 -17.356 7.651 736 HG22 ILE 100 2HG2 ILE 100 3.290 -17.140 8.736 737 HG23 ILE 100 3HG2 ILE 100 4.843 -17.703 9.383 738 HD11 ILE 100 3HD1 ILE 100 1.384 -20.689 7.765 739 HD12 ILE 100 1HD1 ILE 100 1.327 -20.393 6.015 740 HD13 ILE 100 2HD1 ILE 100 2.632 -21.373 6.698 741 H LEU 101 H LEU 101 3.574 -21.205 10.027 742 HA LEU 101 HA LEU 101 3.618 -24.011 9.046 743 HG LEU 101 HG LEU 101 6.279 -23.145 10.270 744 HB2 LEU 101 1HB LEU 101 4.299 -22.799 11.764 745 HB3 LEU 101 2HB LEU 101 3.900 -24.499 11.617 746 HD11 LEU 101 1HD1 LEU 101 7.613 -24.392 11.911 747 HD12 LEU 101 2HD1 LEU 101 6.129 -25.025 12.661 748 HD13 LEU 101 3HD1 LEU 101 6.492 -23.286 12.720 749 HD21 LEU 101 3HD2 LEU 101 5.538 -25.103 8.966 750 HD22 LEU 101 1HD2 LEU 101 5.493 -26.092 10.446 751 HD23 LEU 101 2HD2 LEU 101 7.036 -25.468 9.822 752 HA PRO 102 HA PRO 102 -0.710 -23.914 10.014 753 HB2 PRO 102 1HB PRO 102 -1.249 -26.263 11.369 754 HB3 PRO 102 2HB PRO 102 -0.928 -26.142 9.611 755 HG2 PRO 102 1HG PRO 102 1.039 -26.826 11.814 756 HG3 PRO 102 2HG PRO 102 0.764 -27.691 10.266 757 HD2 PRO 102 1HD PRO 102 2.789 -25.944 10.508 758 HD3 PRO 102 2HD PRO 102 1.815 -25.965 9.016 759 H ASP 103 H ASP 103 1.535 -24.045 12.645 760 HA ASP 103 HA ASP 103 -0.312 -23.456 14.814 761 HB2 ASP 103 1HB ASP 103 1.934 -24.605 14.994 762 HB3 ASP 103 2HB ASP 103 2.702 -23.066 14.610 763 H ASP 104 H ASP 104 0.620 -21.609 12.192 764 HA ASP 104 HA ASP 104 0.742 -19.461 11.608 765 HB2 ASP 104 1HB ASP 104 -1.640 -19.822 12.167 766 HB3 ASP 104 2HB ASP 104 -1.366 -19.109 13.755 767 HA PRO 105 HA PRO 105 3.441 -18.040 15.196 768 HB2 PRO 105 1HB PRO 105 5.942 -18.559 14.263 769 HB3 PRO 105 2HB PRO 105 4.913 -19.824 15.001 770 HG2 PRO 105 1HG PRO 105 5.277 -19.226 12.040 771 HG3 PRO 105 2HG PRO 105 5.424 -20.806 12.875 772 HD2 PRO 105 1HD PRO 105 3.107 -20.041 11.645 773 HD3 PRO 105 2HD PRO 105 3.108 -20.986 13.164 774 H ARG 106 H ARG 106 3.542 -17.354 11.753 775 HA ARG 106 HA ARG 106 4.291 -15.602 10.459 776 HE ARG 106 HE ARG 106 -0.704 -15.431 11.415 777 HB2 ARG 106 1HB ARG 106 3.147 -13.932 12.721 778 HB3 ARG 106 2HB ARG 106 3.312 -13.476 11.018 779 HG2 ARG 106 1HG ARG 106 1.747 -15.375 10.424 780 HG3 ARG 106 2HG ARG 106 1.498 -15.627 12.165 781 HD2 ARG 106 1HD ARG 106 0.781 -13.201 12.321 782 HD3 ARG 106 2HD ARG 106 0.797 -13.156 10.543 783 HH11 ARG 106 1HH1 ARG 106 -1.128 -11.945 11.248 784 HH12 ARG 106 2HH1 ARG 106 -2.857 -12.067 11.426 785 HH21 ARG 106 1HH2 ARG 106 -2.805 -15.498 11.840 786 HH22 ARG 106 2HH2 ARG 106 -3.816 -14.065 11.702 787 H GLN 107 H GLN 107 6.429 -16.593 11.977 788 HA GLN 107 HA GLN 107 8.530 -16.148 12.792 789 HB2 GLN 107 1HB GLN 107 8.367 -14.070 10.574 790 HB3 GLN 107 2HB GLN 107 9.857 -14.615 11.332 791 HG2 GLN 107 1HG GLN 107 7.933 -16.386 9.771 792 HG3 GLN 107 2HG GLN 107 9.413 -15.694 9.131 793 HE21 GLN 107 1HE2 GLN 107 8.742 -18.528 9.271 794 HE22 GLN 107 2HE2 GLN 107 9.978 -19.265 10.296 Start of MODEL 20 1 HA CYS 2 HA CYS 2 -1.335 14.958 -10.550 2 H1 CYS 2 1H CYS 2 -1.159 15.701 -7.819 3 HB2 CYS 2 1HB CYS 2 -0.160 17.360 -10.643 4 HB3 CYS 2 2HB CYS 2 -1.854 17.128 -10.320 5 H GLY 3 H GLY 3 0.712 13.664 -8.645 6 HA2 GLY 3 1HA GLY 3 2.664 12.461 -8.941 7 HA3 GLY 3 2HA GLY 3 2.828 13.061 -10.585 8 H ASP 4 H ASP 4 2.696 15.913 -9.798 9 HA ASP 4 HA ASP 4 5.421 16.426 -8.888 10 HB2 ASP 4 1HB ASP 4 2.978 18.161 -9.368 11 HB3 ASP 4 2HB ASP 4 4.463 18.810 -8.668 12 H CYS 5 H CYS 5 2.399 15.743 -7.316 13 HA CYS 5 HA CYS 5 2.730 16.896 -4.779 14 HB2 CYS 5 1HB CYS 5 1.352 14.308 -5.675 15 HB3 CYS 5 2HB CYS 5 1.297 14.902 -4.056 16 H VAL 6 H VAL 6 4.310 14.067 -6.220 17 HA VAL 6 HA VAL 6 5.329 13.159 -3.553 18 HB VAL 6 HB VAL 6 5.630 11.014 -4.404 19 HG11 VAL 6 1HG1 VAL 6 3.318 10.334 -4.811 20 HG12 VAL 6 2HG1 VAL 6 3.394 11.583 -3.563 21 HG13 VAL 6 3HG1 VAL 6 2.861 11.989 -5.206 22 HG21 VAL 6 3HG2 VAL 6 4.976 10.196 -6.566 23 HG22 VAL 6 1HG2 VAL 6 4.452 11.800 -7.087 24 HG23 VAL 6 2HG2 VAL 6 6.177 11.460 -6.815 25 H GLU 7 H GLU 7 7.516 12.973 -3.170 26 HA GLU 7 HA GLU 7 9.423 14.436 -4.745 27 HB2 GLU 7 1HB GLU 7 9.639 14.178 -2.304 28 HB3 GLU 7 2HB GLU 7 9.767 12.449 -2.454 29 HG2 GLU 7 1HG GLU 7 11.867 12.762 -3.770 30 HG3 GLU 7 2HG GLU 7 11.752 14.499 -3.445 31 H LYS 8 H LYS 8 8.697 10.974 -4.400 32 HA LYS 8 HA LYS 8 10.136 10.322 -6.938 33 HB2 LYS 8 1HB LYS 8 10.070 8.672 -4.370 34 HB3 LYS 8 2HB LYS 8 10.831 8.193 -5.889 35 HG2 LYS 8 1HG LYS 8 12.392 10.196 -5.619 36 HG3 LYS 8 2HG LYS 8 11.687 10.433 -4.004 37 HD2 LYS 8 1HD LYS 8 12.371 8.077 -3.410 38 HD3 LYS 8 2HD LYS 8 13.129 7.948 -5.000 39 HE2 LYS 8 1HE LYS 8 14.927 8.476 -3.635 40 HE3 LYS 8 2HE LYS 8 14.513 10.029 -4.361 41 HZ1 LYS 8 3HZ LYS 8 13.371 10.625 -2.261 42 HZ2 LYS 8 1HZ LYS 8 14.898 10.175 -1.949 43 HZ3 LYS 8 2HZ LYS 8 13.679 9.142 -1.641 44 H GLU 9 H GLU 9 9.034 8.875 -8.232 45 HA GLU 9 HA GLU 9 6.204 8.282 -7.604 46 HB2 GLU 9 1HB GLU 9 8.029 7.854 -10.003 47 HB3 GLU 9 2HB GLU 9 6.437 7.095 -9.922 48 HG2 GLU 9 1HG GLU 9 5.275 9.000 -10.189 49 HG3 GLU 9 2HG GLU 9 6.470 10.033 -9.402 50 H TYR 10 H TYR 10 5.585 6.453 -6.589 51 HA TYR 10 HA TYR 10 5.718 4.453 -5.498 52 HD1 TYR 10 HD1 TYR 10 5.288 5.407 -9.217 53 HD2 TYR 10 HD2 TYR 10 3.708 2.045 -6.989 54 HE1 TYR 10 HE1 TYR 10 3.081 5.799 -10.207 55 HE2 TYR 10 HE2 TYR 10 1.460 2.486 -7.957 56 HH TYR 10 HH TYR 10 0.223 3.759 -9.412 57 HB2 TYR 10 1HB TYR 10 6.782 3.452 -8.144 58 HB3 TYR 10 2HB TYR 10 6.014 2.515 -6.895 59 HA PRO 11 HA PRO 11 10.306 4.809 -4.579 60 HB2 PRO 11 1HB PRO 11 10.029 5.487 -1.922 61 HB3 PRO 11 2HB PRO 11 9.994 6.696 -3.257 62 HG2 PRO 11 1HG PRO 11 7.626 5.373 -1.901 63 HG3 PRO 11 2HG PRO 11 7.941 7.120 -2.132 64 HD2 PRO 11 1HD PRO 11 6.392 5.804 -3.879 65 HD3 PRO 11 2HD PRO 11 7.618 6.920 -4.513 66 H ASN 12 H ASN 12 11.520 3.084 -3.540 67 HA ASN 12 HA ASN 12 9.882 0.811 -2.636 68 HB2 ASN 12 1HB ASN 12 12.918 1.196 -2.750 69 HB3 ASN 12 2HB ASN 12 12.091 -0.314 -2.368 70 HD21 ASN 12 1HD2 ASN 12 10.151 -0.675 -4.244 71 HD22 ASN 12 2HD2 ASN 12 10.898 -0.653 -5.838 72 H ARG 13 H ARG 13 9.748 -0.000 -0.552 73 HA ARG 13 HA ARG 13 10.660 1.820 1.657 74 HE ARG 13 HE ARG 13 8.404 4.160 3.126 75 HB2 ARG 13 1HB ARG 13 8.080 0.226 1.548 76 HB3 ARG 13 2HB ARG 13 8.598 1.331 2.817 77 HG2 ARG 13 1HG ARG 13 7.695 2.021 0.030 78 HG3 ARG 13 2HG ARG 13 6.937 2.410 1.569 79 HD2 ARG 13 1HD ARG 13 9.404 3.660 0.340 80 HD3 ARG 13 2HD ARG 13 7.892 4.424 0.737 81 HH11 ARG 13 1HH1 ARG 13 11.213 3.940 0.984 82 HH12 ARG 13 2HH1 ARG 13 12.272 4.552 2.224 83 HH21 ARG 13 1HH2 ARG 13 9.868 4.770 4.657 84 HH22 ARG 13 2HH2 ARG 13 11.546 4.948 4.247 85 H GLY 14 H GLY 14 12.151 -0.428 0.717 86 HA2 GLY 14 1HA GLY 14 13.369 -2.204 1.596 87 HA3 GLY 14 2HA GLY 14 13.047 -1.489 3.183 88 H ASN 15 H ASN 15 10.721 -2.773 0.902 89 HA ASN 15 HA ASN 15 9.390 -4.545 0.743 90 HB2 ASN 15 1HB ASN 15 10.626 -5.801 3.222 91 HB3 ASN 15 2HB ASN 15 9.605 -6.545 2.028 92 HD21 ASN 15 1HD2 ASN 15 11.373 -8.117 2.183 93 HD22 ASN 15 2HD2 ASN 15 12.707 -7.902 1.035 94 H THR 16 H THR 16 8.971 -2.158 2.903 95 HA THR 16 HA THR 16 6.959 -3.218 4.704 96 HB THR 16 HB THR 16 7.558 -0.376 3.799 97 HG1 THR 16 HG1 THR 16 9.274 -1.045 4.861 98 HG21 THR 16 3HG2 THR 16 6.513 0.265 5.994 99 HG22 THR 16 1HG2 THR 16 5.859 -1.386 6.100 100 HG23 THR 16 2HG2 THR 16 5.384 -0.296 4.764 101 H CYS 17 H CYS 17 4.891 -3.891 4.118 102 HA CYS 17 HA CYS 17 3.538 -2.521 1.839 103 HG CYS 17 HG CYS 17 5.758 -5.004 1.777 104 HB2 CYS 17 1HB CYS 17 3.358 -5.423 2.730 105 HB3 CYS 17 2HB CYS 17 2.472 -4.694 1.385 106 H LEU 18 H LEU 18 2.055 -1.199 2.692 107 HA LEU 18 HA LEU 18 0.411 -1.997 5.075 108 HG LEU 18 HG LEU 18 1.060 -0.311 7.051 109 HB2 LEU 18 1HB LEU 18 1.766 0.547 4.229 110 HB3 LEU 18 2HB LEU 18 0.249 0.672 5.080 111 HD11 LEU 18 1HD1 LEU 18 2.390 -2.155 6.418 112 HD12 LEU 18 2HD1 LEU 18 3.489 -1.060 7.258 113 HD13 LEU 18 3HD1 LEU 18 3.498 -1.137 5.475 114 HD21 LEU 18 3HD2 LEU 18 3.265 1.470 5.934 115 HD22 LEU 18 1HD2 LEU 18 2.884 1.203 7.650 116 HD23 LEU 18 2HD2 LEU 18 1.720 2.039 6.609 117 H GLU 19 H GLU 19 -1.645 -1.620 5.188 118 HA GLU 19 HA GLU 19 -3.183 -1.135 2.697 119 HB2 GLU 19 1HB GLU 19 -5.047 -2.063 3.867 120 HB3 GLU 19 2HB GLU 19 -3.713 -3.162 4.032 121 HG2 GLU 19 1HG GLU 19 -4.571 -1.209 6.204 122 HG3 GLU 19 2HG GLU 19 -5.187 -2.842 6.039 123 H ASN 20 H ASN 20 -2.094 0.720 5.340 124 HA ASN 20 HA ASN 20 -4.172 2.792 4.814 125 HB2 ASN 20 1HB ASN 20 -3.684 1.369 7.446 126 HB3 ASN 20 2HB ASN 20 -4.133 3.064 7.477 127 HD21 ASN 20 1HD2 ASN 20 -5.562 0.261 8.003 128 HD22 ASN 20 2HD2 ASN 20 -7.140 0.612 7.315 129 H GLY 21 H GLY 21 -3.724 4.876 5.518 130 HA2 GLY 21 1HA GLY 21 -2.367 6.514 6.621 131 HA3 GLY 21 2HA GLY 21 -0.919 5.566 6.283 132 H SER 22 H SER 22 -0.204 7.714 5.614 133 HA SER 22 HA SER 22 -0.293 8.077 2.699 134 HG SER 22 HG SER 22 -2.778 8.964 3.698 135 HB2 SER 22 1HB SER 22 -1.103 10.296 4.631 136 HB3 SER 22 2HB SER 22 -0.540 10.575 2.981 137 H PHE 23 H PHE 23 1.848 8.125 2.196 138 HA PHE 23 HA PHE 23 3.800 8.439 4.250 139 HD1 PHE 23 HD1 PHE 23 5.762 7.907 4.700 140 HD2 PHE 23 HD2 PHE 23 6.260 7.208 0.472 141 HE1 PHE 23 HE1 PHE 23 8.181 7.609 5.031 142 HE2 PHE 23 HE2 PHE 23 8.701 6.941 0.808 143 HZ PHE 23 HZ PHE 23 9.684 7.269 3.085 144 HB2 PHE 23 1HB PHE 23 3.868 6.824 2.404 145 HB3 PHE 23 2HB PHE 23 4.188 8.113 1.268 146 H LEU 24 H LEU 24 3.427 10.553 4.995 147 HA LEU 24 HA LEU 24 3.704 12.912 3.629 148 HG LEU 24 HG LEU 24 2.371 11.619 6.423 149 HB2 LEU 24 1HB LEU 24 4.645 12.415 6.474 150 HB3 LEU 24 2HB LEU 24 4.197 13.962 5.773 151 HD11 LEU 24 1HD1 LEU 24 2.412 14.505 7.385 152 HD12 LEU 24 2HD1 LEU 24 3.020 13.097 8.287 153 HD13 LEU 24 3HD1 LEU 24 1.293 13.229 7.914 154 HD21 LEU 24 3HD2 LEU 24 1.518 12.536 4.321 155 HD22 LEU 24 1HD2 LEU 24 1.637 14.193 4.964 156 HD23 LEU 24 2HD2 LEU 24 0.477 13.030 5.649 157 H LEU 25 H LEU 25 6.430 10.906 4.569 158 HA LEU 25 HA LEU 25 8.461 12.950 4.173 159 HG LEU 25 HG LEU 25 8.024 10.753 6.433 160 HB2 LEU 25 1HB LEU 25 8.637 9.926 4.205 161 HB3 LEU 25 2HB LEU 25 10.027 10.972 4.142 162 HD11 LEU 25 1HD1 LEU 25 9.673 8.910 6.250 163 HD12 LEU 25 2HD1 LEU 25 9.950 9.901 7.689 164 HD13 LEU 25 3HD1 LEU 25 10.995 10.095 6.265 165 HD21 LEU 25 3HD2 LEU 25 10.450 12.583 6.164 166 HD22 LEU 25 1HD2 LEU 25 9.574 12.268 7.680 167 HD23 LEU 25 2HD2 LEU 25 8.751 13.084 6.352 168 H ASN 26 H ASN 26 6.628 11.055 1.911 169 HA ASN 26 HA ASN 26 8.527 11.744 -0.333 170 HB2 ASN 26 1HB ASN 26 7.755 9.364 -0.065 171 HB3 ASN 26 2HB ASN 26 6.095 9.886 -0.287 172 HD21 ASN 26 1HD2 ASN 26 5.864 8.644 -2.304 173 HD22 ASN 26 2HD2 ASN 26 6.734 9.172 -3.753 174 H PHE 27 H PHE 27 5.232 12.236 0.980 175 HA PHE 27 HA PHE 27 4.287 13.793 -1.251 176 HD1 PHE 27 HD1 PHE 27 2.151 14.337 -1.887 177 HD2 PHE 27 HD2 PHE 27 1.976 15.675 2.197 178 HE1 PHE 27 HE1 PHE 27 0.345 15.968 -2.512 179 HE2 PHE 27 HE2 PHE 27 0.192 17.300 1.569 180 HZ PHE 27 HZ PHE 27 -0.640 17.409 -0.758 181 HB2 PHE 27 1HB PHE 27 2.782 12.840 0.439 182 HB3 PHE 27 2HB PHE 27 3.432 13.920 1.655 183 H THR 28 H THR 28 5.307 15.567 -1.964 184 HA THR 28 HA THR 28 6.789 17.367 -0.102 185 HB THR 28 HB THR 28 7.510 18.523 -2.180 186 HG1 THR 28 HG1 THR 28 7.005 17.581 -4.149 187 HG21 THR 28 3HG2 THR 28 8.831 16.620 -1.252 188 HG22 THR 28 1HG2 THR 28 8.969 16.755 -3.014 189 HG23 THR 28 2HG2 THR 28 7.920 15.515 -2.300 190 H GLY 29 H GLY 29 3.655 17.078 -0.962 191 HA2 GLY 29 1HA GLY 29 1.944 18.594 -0.316 192 HA3 GLY 29 2HA GLY 29 2.986 19.970 -0.613 193 H CYS 30 H CYS 30 0.347 19.441 -1.697 194 HA CYS 30 HA CYS 30 0.212 18.379 -4.229 195 HB2 CYS 30 1HB CYS 30 -1.625 19.247 -2.610 196 HB3 CYS 30 2HB CYS 30 -1.362 20.814 -3.330 197 H ALA 31 H ALA 31 -0.383 19.466 -6.181 198 HA ALA 31 HA ALA 31 1.155 21.958 -6.729 199 HB1 ALA 31 3HB ALA 31 1.036 19.937 -8.916 200 HB2 ALA 31 1HB ALA 31 2.168 21.257 -8.654 201 HB3 ALA 31 2HB ALA 31 2.286 19.790 -7.638 202 H VAL 32 H VAL 32 -1.892 20.380 -6.871 203 HA VAL 32 HA VAL 32 -2.937 22.096 -8.992 204 HB VAL 32 HB VAL 32 -4.274 20.277 -6.953 205 HG11 VAL 32 1HG1 VAL 32 -5.843 22.144 -7.230 206 HG12 VAL 32 2HG1 VAL 32 -5.731 22.000 -9.001 207 HG13 VAL 32 3HG1 VAL 32 -6.446 20.689 -8.019 208 HG21 VAL 32 3HG2 VAL 32 -5.041 19.054 -8.937 209 HG22 VAL 32 1HG2 VAL 32 -4.257 20.246 -10.005 210 HG23 VAL 32 2HG2 VAL 32 -3.282 19.202 -8.950 211 H CYS 33 H CYS 33 -2.673 22.158 -5.458 212 HA CYS 33 HA CYS 33 -3.516 25.020 -5.429 213 HB2 CYS 33 1HB CYS 33 -4.605 24.604 -3.352 214 HB3 CYS 33 2HB CYS 33 -5.240 23.472 -4.557 215 H SER 34 H SER 34 -1.045 22.812 -4.454 216 HA SER 34 HA SER 34 1.024 23.184 -3.582 217 HG SER 34 HG SER 34 2.663 26.173 -3.587 218 HB2 SER 34 1HB SER 34 0.661 25.561 -4.518 219 HB3 SER 34 2HB SER 34 0.500 26.023 -2.814 220 H LYS 35 H LYS 35 -1.457 22.496 -1.783 221 HA LYS 35 HA LYS 35 -0.493 23.333 0.907 222 HB2 LYS 35 1HB LYS 35 -2.816 21.680 -0.120 223 HB3 LYS 35 2HB LYS 35 -2.401 21.720 1.582 224 HG2 LYS 35 1HG LYS 35 -2.464 24.457 0.550 225 HG3 LYS 35 2HG LYS 35 -3.961 23.615 0.149 226 HD2 LYS 35 1HD LYS 35 -4.359 23.030 2.448 227 HD3 LYS 35 2HD LYS 35 -2.761 23.663 2.932 228 HE2 LYS 35 1HE LYS 35 -3.473 25.934 2.122 229 HE3 LYS 35 2HE LYS 35 -5.074 25.283 1.752 230 HZ1 LYS 35 3HZ LYS 35 -5.028 26.360 3.930 231 HZ2 LYS 35 1HZ LYS 35 -3.846 25.367 4.460 232 HZ3 LYS 35 2HZ LYS 35 -5.331 24.768 4.124 233 H ARG 36 H ARG 36 0.309 22.005 2.510 234 HA ARG 36 HA ARG 36 1.157 19.229 1.788 235 HE ARG 36 HE ARG 36 5.308 17.218 2.257 236 HB2 ARG 36 1HB ARG 36 3.040 20.858 1.765 237 HB3 ARG 36 2HB ARG 36 2.815 21.058 3.513 238 HG2 ARG 36 1HG ARG 36 3.371 18.754 3.940 239 HG3 ARG 36 2HG ARG 36 3.137 18.306 2.235 240 HD2 ARG 36 1HD ARG 36 5.066 19.686 1.622 241 HD3 ARG 36 2HD ARG 36 5.355 20.039 3.337 242 HH11 ARG 36 1HH1 ARG 36 7.204 19.625 3.963 243 HH12 ARG 36 2HH1 ARG 36 8.371 18.437 4.475 244 HH21 ARG 36 1HH2 ARG 36 6.709 15.780 3.021 245 HH22 ARG 36 2HH2 ARG 36 8.110 16.307 3.920 246 H ASP 37 H ASP 37 1.396 17.801 3.710 247 HA ASP 37 HA ASP 37 0.350 16.645 5.312 248 HB2 ASP 37 1HB ASP 37 0.355 17.492 7.505 249 HB3 ASP 37 2HB ASP 37 1.825 17.922 6.655 250 H PHE 38 H PHE 38 -1.336 17.790 3.446 251 HA PHE 38 HA PHE 38 -4.011 17.826 4.759 252 HD1 PHE 38 HD1 PHE 38 -2.448 20.155 5.503 253 HD2 PHE 38 HD2 PHE 38 -5.940 20.742 3.049 254 HE1 PHE 38 HE1 PHE 38 -3.175 22.006 6.971 255 HE2 PHE 38 HE2 PHE 38 -6.663 22.603 4.503 256 HZ PHE 38 HZ PHE 38 -5.287 23.233 6.496 257 HB2 PHE 38 1HB PHE 38 -2.834 19.554 2.631 258 HB3 PHE 38 2HB PHE 38 -4.499 19.076 2.456 259 H MET 39 H MET 39 -4.585 15.740 4.548 260 HA MET 39 HA MET 39 -5.402 14.896 1.923 261 HB2 MET 39 1HB MET 39 -4.232 12.602 2.078 262 HB3 MET 39 2HB MET 39 -3.370 13.964 1.438 263 HG2 MET 39 1HG MET 39 -3.031 13.675 4.375 264 HG3 MET 39 2HG MET 39 -2.562 12.240 3.489 265 HE1 MET 39 3HE MET 39 -1.014 12.149 1.554 266 HE2 MET 39 1HE MET 39 -1.168 13.673 0.656 267 HE3 MET 39 2HE MET 39 0.397 13.200 1.346 268 H LEU 40 H LEU 40 -6.709 13.257 1.739 269 HA LEU 40 HA LEU 40 -8.049 11.915 4.045 270 HG LEU 40 HG LEU 40 -10.532 14.612 3.138 271 HB2 LEU 40 1HB LEU 40 -9.103 13.565 1.727 272 HB3 LEU 40 2HB LEU 40 -10.036 12.219 2.244 273 HD11 LEU 40 1HD1 LEU 40 -10.562 12.136 4.938 274 HD12 LEU 40 2HD1 LEU 40 -11.792 12.549 3.721 275 HD13 LEU 40 3HD1 LEU 40 -11.583 13.577 5.143 276 HD21 LEU 40 3HD2 LEU 40 -8.635 13.659 5.289 277 HD22 LEU 40 1HD2 LEU 40 -9.728 15.047 5.368 278 HD23 LEU 40 2HD2 LEU 40 -8.392 15.044 4.197 279 H ILE 41 H ILE 41 -9.325 10.020 3.242 280 HA ILE 41 HA ILE 41 -8.240 8.647 0.830 281 HB ILE 41 HB ILE 41 -8.608 7.579 3.646 282 HG12 ILE 41 1HG1 ILE 41 -6.221 7.374 1.750 283 HG13 ILE 41 2HG1 ILE 41 -6.400 8.625 2.974 284 HG21 ILE 41 1HG2 ILE 41 -8.349 5.957 1.063 285 HG22 ILE 41 2HG2 ILE 41 -8.116 5.278 2.685 286 HG23 ILE 41 3HG2 ILE 41 -9.682 5.904 2.227 287 HD11 ILE 41 3HD1 ILE 41 -4.944 6.978 3.884 288 HD12 ILE 41 1HD1 ILE 41 -6.481 6.860 4.754 289 HD13 ILE 41 2HD1 ILE 41 -6.060 5.657 3.511 290 H THR 42 H THR 42 -9.821 7.824 -0.433 291 HA THR 42 HA THR 42 -12.522 7.342 0.635 292 HB THR 42 HB THR 42 -12.260 9.824 -0.186 293 HG1 THR 42 HG1 THR 42 -14.444 9.705 -0.683 294 HG21 THR 42 3HG2 THR 42 -11.508 8.877 -2.572 295 HG22 THR 42 1HG2 THR 42 -12.583 10.291 -2.434 296 HG23 THR 42 2HG2 THR 42 -13.251 8.698 -2.809 297 H ASN 43 H ASN 43 -13.993 6.580 -1.222 298 HA ASN 43 HA ASN 43 -14.562 4.862 -2.526 299 HB2 ASN 43 1HB ASN 43 -14.216 5.414 -4.633 300 HB3 ASN 43 2HB ASN 43 -13.203 6.714 -4.014 301 HD21 ASN 43 1HD2 ASN 43 -10.807 5.701 -3.470 302 HD22 ASN 43 2HD2 ASN 43 -10.119 4.995 -4.940 303 H LYS 44 H LYS 44 -12.397 4.308 -0.501 304 HA LYS 44 HA LYS 44 -10.672 2.259 -1.151 305 HB2 LYS 44 1HB LYS 44 -10.898 3.670 0.949 306 HB3 LYS 44 2HB LYS 44 -12.174 2.553 1.470 307 HG2 LYS 44 1HG LYS 44 -10.709 0.889 2.006 308 HG3 LYS 44 2HG LYS 44 -9.667 1.213 0.613 309 HD2 LYS 44 1HD LYS 44 -8.775 3.215 1.741 310 HD3 LYS 44 2HD LYS 44 -9.715 2.811 3.201 311 HE2 LYS 44 1HE LYS 44 -8.474 0.739 3.473 312 HE3 LYS 44 2HE LYS 44 -7.735 0.921 1.874 313 HZ1 LYS 44 3HZ LYS 44 -7.207 2.636 4.238 314 HZ2 LYS 44 1HZ LYS 44 -6.656 2.968 2.708 315 HZ3 LYS 44 2HZ LYS 44 -6.181 1.626 3.501 316 H SER 45 H SER 45 -10.954 0.394 -2.013 317 HA SER 45 HA SER 45 -13.293 -1.312 -1.305 318 HG SER 45 HG SER 45 -13.593 -0.894 -4.775 319 HB2 SER 45 1HB SER 45 -11.531 -1.183 -3.792 320 HB3 SER 45 2HB SER 45 -12.625 -2.534 -3.457 321 H LEU 46 H LEU 46 -13.016 -3.519 -1.104 322 HA LEU 46 HA LEU 46 -10.329 -4.571 -0.550 323 HG LEU 46 HG LEU 46 -10.381 -6.537 1.168 324 HB2 LEU 46 1HB LEU 46 -10.976 -3.904 1.614 325 HB3 LEU 46 2HB LEU 46 -12.614 -4.509 1.436 326 HD11 LEU 46 1HD1 LEU 46 -10.142 -6.793 3.589 327 HD12 LEU 46 2HD1 LEU 46 -11.223 -5.404 3.870 328 HD13 LEU 46 3HD1 LEU 46 -9.638 -5.172 3.100 329 HD21 LEU 46 3HD2 LEU 46 -12.726 -7.312 1.047 330 HD22 LEU 46 1HD2 LEU 46 -13.042 -6.617 2.649 331 HD23 LEU 46 2HD2 LEU 46 -11.903 -7.967 2.457 332 H LYS 47 H LYS 47 -10.083 -6.639 -1.147 333 HA LYS 47 HA LYS 47 -12.410 -8.211 -2.117 334 HB2 LYS 47 1HB LYS 47 -10.644 -6.922 -3.834 335 HB3 LYS 47 2HB LYS 47 -9.842 -8.450 -3.576 336 HG2 LYS 47 1HG LYS 47 -11.764 -9.726 -4.267 337 HG3 LYS 47 2HG LYS 47 -12.720 -8.251 -4.478 338 HD2 LYS 47 1HD LYS 47 -11.925 -9.242 -6.606 339 HD3 LYS 47 2HD LYS 47 -11.376 -7.575 -6.381 340 HE2 LYS 47 1HE LYS 47 -9.150 -8.228 -5.913 341 HE3 LYS 47 2HE LYS 47 -9.616 -9.902 -5.561 342 HZ1 LYS 47 3HZ LYS 47 -9.905 -10.383 -7.783 343 HZ2 LYS 47 1HZ LYS 47 -8.534 -9.516 -7.783 344 HZ3 LYS 47 2HZ LYS 47 -9.921 -8.802 -8.286 345 H GLU 48 H GLU 48 -12.179 -10.442 -1.998 346 HA GLU 48 HA GLU 48 -9.650 -11.498 -0.821 347 HB2 GLU 48 1HB GLU 48 -12.387 -12.064 0.372 348 HB3 GLU 48 2HB GLU 48 -10.869 -12.828 0.847 349 HG2 GLU 48 1HG GLU 48 -10.005 -10.622 1.606 350 HG3 GLU 48 2HG GLU 48 -11.550 -9.886 1.183 351 H GLU 49 H GLU 49 -9.001 -13.030 -2.167 352 HA GLU 49 HA GLU 49 -10.961 -14.972 -3.303 353 HB2 GLU 49 1HB GLU 49 -8.547 -13.832 -4.730 354 HB3 GLU 49 2HB GLU 49 -9.456 -15.275 -5.220 355 HG2 GLU 49 1HG GLU 49 -11.549 -13.870 -5.311 356 HG3 GLU 49 2HG GLU 49 -10.569 -12.442 -4.972 357 H ASP 50 H ASP 50 -10.711 -16.943 -2.591 358 HA ASP 50 HA ASP 50 -9.850 -18.804 -1.587 359 HB2 ASP 50 1HB ASP 50 -9.253 -18.680 -4.092 360 HB3 ASP 50 2HB ASP 50 -7.611 -18.297 -3.582 361 H GLY 51 H GLY 51 -8.693 -16.384 -0.231 362 HA2 GLY 51 1HA GLY 51 -7.522 -16.738 1.959 363 HA3 GLY 51 2HA GLY 51 -6.257 -17.605 1.081 364 H GLU 52 H GLU 52 -6.644 -15.480 -1.169 365 HA GLU 52 HA GLU 52 -4.605 -13.607 -0.237 366 HB2 GLU 52 1HB GLU 52 -4.559 -14.463 -2.550 367 HB3 GLU 52 2HB GLU 52 -6.195 -13.831 -2.821 368 HG2 GLU 52 1HG GLU 52 -5.311 -11.496 -2.502 369 HG3 GLU 52 2HG GLU 52 -3.706 -12.158 -2.389 370 H GLU 53 H GLU 53 -4.926 -11.514 0.353 371 HA GLU 53 HA GLU 53 -7.708 -10.403 0.409 372 HB2 GLU 53 1HB GLU 53 -5.455 -9.953 2.415 373 HB3 GLU 53 2HB GLU 53 -7.025 -9.137 2.405 374 HG2 GLU 53 1HG GLU 53 -8.145 -11.357 2.726 375 HG3 GLU 53 2HG GLU 53 -6.560 -12.124 2.820 376 H ILE 54 H ILE 54 -7.951 -8.507 -0.713 377 HA ILE 54 HA ILE 54 -5.471 -7.040 -1.492 378 HB ILE 54 HB ILE 54 -7.979 -7.384 -3.174 379 HG12 ILE 54 1HG1 ILE 54 -6.099 -8.628 -4.662 380 HG13 ILE 54 2HG1 ILE 54 -5.402 -8.982 -3.088 381 HG21 ILE 54 1HG2 ILE 54 -6.456 -6.428 -4.933 382 HG22 ILE 54 2HG2 ILE 54 -6.888 -5.337 -3.624 383 HG23 ILE 54 3HG2 ILE 54 -5.284 -6.111 -3.622 384 HD11 ILE 54 3HD1 ILE 54 -6.856 -10.807 -3.986 385 HD12 ILE 54 1HD1 ILE 54 -7.522 -10.188 -2.465 386 HD13 ILE 54 2HD1 ILE 54 -8.218 -9.723 -4.025 387 H VAL 55 H VAL 55 -5.535 -4.844 -1.327 388 HA VAL 55 HA VAL 55 -8.097 -3.493 -0.550 389 HB VAL 55 HB VAL 55 -5.357 -3.002 0.702 390 HG11 VAL 55 1HG1 VAL 55 -8.085 -1.818 1.360 391 HG12 VAL 55 2HG1 VAL 55 -6.557 -1.534 2.246 392 HG13 VAL 55 3HG1 VAL 55 -6.725 -0.970 0.579 393 HG21 VAL 55 3HG2 VAL 55 -6.413 -3.852 2.812 394 HG22 VAL 55 1HG2 VAL 55 -7.812 -4.383 1.849 395 HG23 VAL 55 2HG2 VAL 55 -6.206 -5.100 1.578 396 H THR 56 H THR 56 -8.515 -2.018 -2.071 397 HA THR 56 HA THR 56 -6.241 -0.506 -3.274 398 HB THR 56 HB THR 56 -7.257 -0.418 -5.394 399 HG1 THR 56 HG1 THR 56 -9.102 -1.657 -5.857 400 HG21 THR 56 3HG2 THR 56 -5.799 -2.405 -4.752 401 HG22 THR 56 1HG2 THR 56 -6.887 -2.682 -6.123 402 HG23 THR 56 2HG2 THR 56 -7.288 -3.345 -4.528 403 H TYR 57 H TYR 57 -6.347 1.672 -3.278 404 HA TYR 57 HA TYR 57 -8.914 3.056 -2.975 405 HD1 TYR 57 HD1 TYR 57 -6.449 1.069 -0.360 406 HD2 TYR 57 HD2 TYR 57 -6.523 5.370 -0.138 407 HE1 TYR 57 HE1 TYR 57 -4.441 1.025 1.116 408 HE2 TYR 57 HE2 TYR 57 -4.531 5.326 1.355 409 HH TYR 57 HH TYR 57 -2.953 2.272 2.323 410 HB2 TYR 57 1HB TYR 57 -8.501 4.113 -0.881 411 HB3 TYR 57 2HB TYR 57 -8.521 2.393 -0.714 412 H ASP 58 H ASP 58 -8.176 5.524 -2.193 413 HA ASP 58 HA ASP 58 -6.011 6.483 -4.012 414 HB2 ASP 58 1HB ASP 58 -8.960 7.362 -3.888 415 HB3 ASP 58 2HB ASP 58 -7.692 8.300 -4.650 416 H HIS 59 H HIS 59 -5.377 8.655 -3.460 417 HA HIS 59 HA HIS 59 -6.038 9.572 -0.677 418 HD1 HIS 59 HD1 HIS 59 -3.100 8.949 1.255 419 HD2 HIS 59 HD2 HIS 59 -2.758 7.598 -2.715 420 HE1 HIS 59 HE1 HIS 59 -1.632 6.887 1.312 421 HB2 HIS 59 1HB HIS 59 -3.534 10.183 -2.285 422 HB3 HIS 59 2HB HIS 59 -3.872 10.648 -0.634 423 H LEU 60 H LEU 60 -6.654 11.731 -0.447 424 HA LEU 60 HA LEU 60 -6.985 13.396 -2.913 425 HG LEU 60 HG LEU 60 -9.002 12.453 -3.815 426 HB2 LEU 60 1HB LEU 60 -9.081 12.790 -0.787 427 HB3 LEU 60 2HB LEU 60 -9.151 14.162 -1.883 428 HD11 LEU 60 1HD1 LEU 60 -10.056 10.653 -1.577 429 HD12 LEU 60 2HD1 LEU 60 -8.525 10.400 -2.425 430 HD13 LEU 60 3HD1 LEU 60 -10.015 10.277 -3.329 431 HD21 LEU 60 3HD2 LEU 60 -11.001 13.783 -3.235 432 HD22 LEU 60 1HD2 LEU 60 -11.475 12.570 -2.033 433 HD23 LEU 60 2HD2 LEU 60 -11.438 12.159 -3.768 434 H CYS 61 H CYS 61 -6.461 15.477 -2.693 435 HA CYS 61 HA CYS 61 -5.107 16.508 -0.425 436 HB2 CYS 61 1HB CYS 61 -5.028 17.126 -2.916 437 HB3 CYS 61 2HB CYS 61 -6.522 18.020 -2.668 438 H LYS 62 H LYS 62 -5.883 17.246 1.498 439 HA LYS 62 HA LYS 62 -8.712 17.390 2.079 440 HB2 LYS 62 1HB LYS 62 -7.218 16.847 3.842 441 HB3 LYS 62 2HB LYS 62 -6.197 18.226 3.536 442 HG2 LYS 62 1HG LYS 62 -7.291 18.574 5.597 443 HG3 LYS 62 2HG LYS 62 -7.882 19.762 4.448 444 HD2 LYS 62 1HD LYS 62 -9.924 18.279 4.099 445 HD3 LYS 62 2HD LYS 62 -9.296 17.244 5.397 446 HE2 LYS 62 1HE LYS 62 -9.294 19.190 6.947 447 HE3 LYS 62 2HE LYS 62 -9.937 20.215 5.657 448 HZ1 LYS 62 3HZ LYS 62 -11.337 17.861 6.819 449 HZ2 LYS 62 1HZ LYS 62 -11.935 18.816 5.630 450 HZ3 LYS 62 2HZ LYS 62 -11.700 19.420 7.125 451 H ASN 63 H ASN 63 -6.745 19.620 0.386 452 HA ASN 63 HA ASN 63 -8.349 21.993 1.153 453 HB2 ASN 63 1HB ASN 63 -5.974 22.284 1.167 454 HB3 ASN 63 2HB ASN 63 -5.812 21.685 -0.477 455 HD21 ASN 63 1HD2 ASN 63 -5.548 23.322 -1.949 456 HD22 ASN 63 2HD2 ASN 63 -6.312 24.908 -1.782 457 H CYS 64 H CYS 64 -7.117 20.687 -2.023 458 HA CYS 64 HA CYS 64 -9.519 21.767 -3.317 459 HB2 CYS 64 1HB CYS 64 -8.254 21.396 -5.389 460 HB3 CYS 64 2HB CYS 64 -7.440 22.449 -4.239 461 H HIS 65 H HIS 65 -8.772 18.767 -2.025 462 HA HIS 65 HA HIS 65 -9.433 16.628 -2.334 463 HD1 HIS 65 HD1 HIS 65 -12.074 19.623 -1.036 464 HD2 HIS 65 HD2 HIS 65 -11.034 15.611 -0.188 465 HE1 HIS 65 HE1 HIS 65 -12.058 19.403 1.530 466 HE2 HIS 65 HE2 HIS 65 -11.491 16.940 2.034 467 HB2 HIS 65 1HB HIS 65 -12.003 17.974 -3.158 468 HB3 HIS 65 2HB HIS 65 -11.836 16.262 -2.771 469 H HIS 66 H HIS 66 -8.056 17.822 -4.580 470 HA HIS 66 HA HIS 66 -8.710 16.278 -6.963 471 HD1 HIS 66 HD1 HIS 66 -5.845 16.061 -9.068 472 HD2 HIS 66 HD2 HIS 66 -4.412 17.388 -5.330 473 HE1 HIS 66 HE1 HIS 66 -3.328 15.950 -9.177 474 HB2 HIS 66 1HB HIS 66 -7.325 17.912 -7.600 475 HB3 HIS 66 2HB HIS 66 -6.702 18.149 -5.978 476 H VAL 67 H VAL 67 -7.748 14.188 -7.488 477 HA VAL 67 HA VAL 67 -6.935 12.564 -5.204 478 HB VAL 67 HB VAL 67 -7.097 11.885 -8.170 479 HG11 VAL 67 1HG1 VAL 67 -7.051 9.527 -7.323 480 HG12 VAL 67 2HG1 VAL 67 -5.517 10.367 -7.100 481 HG13 VAL 67 3HG1 VAL 67 -6.615 10.134 -5.721 482 HG21 VAL 67 3HG2 VAL 67 -9.130 10.651 -7.526 483 HG22 VAL 67 1HG2 VAL 67 -8.948 11.182 -5.845 484 HG23 VAL 67 2HG2 VAL 67 -9.313 12.361 -7.124 485 H ILE 68 H ILE 68 -5.073 12.900 -4.348 486 HA ILE 68 HA ILE 68 -2.714 13.982 -5.553 487 HB ILE 68 HB ILE 68 -3.313 12.511 -2.984 488 HG12 ILE 68 1HG1 ILE 68 -2.555 15.383 -3.695 489 HG13 ILE 68 2HG1 ILE 68 -4.190 14.819 -3.386 490 HG21 ILE 68 1HG2 ILE 68 -1.046 13.033 -2.159 491 HG22 ILE 68 2HG2 ILE 68 -0.940 11.949 -3.519 492 HG23 ILE 68 3HG2 ILE 68 -0.604 13.676 -3.748 493 HD11 ILE 68 3HD1 ILE 68 -1.933 14.836 -1.355 494 HD12 ILE 68 1HD1 ILE 68 -3.267 15.971 -1.469 495 HD13 ILE 68 2HD1 ILE 68 -3.605 14.263 -1.076 496 H ALA 69 H ALA 69 -3.688 10.624 -4.767 497 HA ALA 69 HA ALA 69 -1.942 9.432 -6.787 498 HB1 ALA 69 3HB ALA 69 -0.299 9.921 -5.044 499 HB2 ALA 69 1HB ALA 69 -1.354 9.267 -3.785 500 HB3 ALA 69 2HB ALA 69 -0.628 8.176 -4.977 501 H ARG 70 H ARG 70 -2.004 7.009 -6.653 502 HA ARG 70 HA ARG 70 -4.539 5.890 -5.511 503 HE ARG 70 HE ARG 70 -7.316 7.391 -8.224 504 HB2 ARG 70 1HB ARG 70 -3.177 5.398 -8.186 505 HB3 ARG 70 2HB ARG 70 -4.076 4.125 -7.366 506 HG2 ARG 70 1HG ARG 70 -5.658 4.997 -8.787 507 HG3 ARG 70 2HG ARG 70 -6.043 5.672 -7.205 508 HD2 ARG 70 1HD ARG 70 -4.832 7.793 -7.925 509 HD3 ARG 70 2HD ARG 70 -4.635 7.061 -9.531 510 HH11 ARG 70 1HH1 ARG 70 -5.358 8.199 -11.036 511 HH12 ARG 70 2HH1 ARG 70 -6.721 8.902 -11.864 512 HH21 ARG 70 1HH2 ARG 70 -8.937 8.235 -9.302 513 HH22 ARG 70 2HH2 ARG 70 -8.730 8.923 -10.895 514 H HIS 71 H HIS 71 -4.395 4.055 -4.428 515 HA HIS 71 HA HIS 71 -1.688 2.904 -3.808 516 HD2 HIS 71 HD2 HIS 71 -2.704 0.527 -1.154 517 HE1 HIS 71 HE1 HIS 71 0.324 2.648 0.967 518 HE2 HIS 71 HE2 HIS 71 -0.844 0.398 0.709 519 HB2 HIS 71 1HB HIS 71 -2.890 4.401 -2.086 520 HB3 HIS 71 2HB HIS 71 -4.059 3.111 -1.917 521 H GLU 72 H GLU 72 -1.502 0.726 -3.801 522 HA GLU 72 HA GLU 72 -3.907 -1.007 -3.608 523 HB2 GLU 72 1HB GLU 72 -3.574 -0.947 -5.954 524 HB3 GLU 72 2HB GLU 72 -1.815 -1.041 -5.816 525 HG2 GLU 72 1HG GLU 72 -1.879 -3.306 -5.071 526 HG3 GLU 72 2HG GLU 72 -3.638 -3.288 -4.855 527 H TYR 73 H TYR 73 -3.583 -2.569 -2.168 528 HA TYR 73 HA TYR 73 -0.832 -3.533 -1.535 529 HD1 TYR 73 HD1 TYR 73 0.295 -4.526 0.779 530 HD2 TYR 73 HD2 TYR 73 -3.855 -4.056 1.864 531 HE1 TYR 73 HE1 TYR 73 0.529 -6.342 2.421 532 HE2 TYR 73 HE2 TYR 73 -3.614 -5.870 3.528 533 HH TYR 73 HH TYR 73 -0.509 -7.500 4.169 534 HB2 TYR 73 1HB TYR 73 -1.239 -2.240 0.368 535 HB3 TYR 73 2HB TYR 73 -2.960 -2.559 0.355 536 H THR 74 H THR 74 -0.740 -5.673 -1.852 537 HA THR 74 HA THR 74 -3.289 -7.258 -1.683 538 HB THR 74 HB THR 74 -3.044 -8.332 -3.633 539 HG1 THR 74 HG1 THR 74 -0.292 -7.640 -3.738 540 HG21 THR 74 3HG2 THR 74 -1.546 -5.846 -4.548 541 HG22 THR 74 1HG2 THR 74 -3.269 -5.822 -4.173 542 HG23 THR 74 2HG2 THR 74 -2.671 -6.860 -5.475 543 H PHE 75 H PHE 75 -3.155 -9.084 -0.580 544 HA PHE 75 HA PHE 75 -0.447 -10.046 0.314 545 HD1 PHE 75 HD1 PHE 75 0.471 -10.641 2.843 546 HD2 PHE 75 HD2 PHE 75 -3.746 -11.546 2.837 547 HE1 PHE 75 HE1 PHE 75 0.897 -12.575 4.247 548 HE2 PHE 75 HE2 PHE 75 -3.303 -13.569 4.195 549 HZ PHE 75 HZ PHE 75 -0.961 -14.133 4.857 550 HB2 PHE 75 1HB PHE 75 -1.263 -8.933 2.155 551 HB3 PHE 75 2HB PHE 75 -2.914 -9.427 1.934 552 H SER 76 H SER 76 -0.143 -12.212 -0.091 553 HA SER 76 HA SER 76 -2.466 -14.033 -0.670 554 HG SER 76 HG SER 76 -1.447 -13.888 -3.959 555 HB2 SER 76 1HB SER 76 -0.006 -13.436 -2.263 556 HB3 SER 76 2HB SER 76 -0.562 -15.106 -2.237 557 H ILE 77 H ILE 77 -2.336 -16.135 0.037 558 HA ILE 77 HA ILE 77 0.140 -16.914 1.579 559 HB ILE 77 HB ILE 77 -2.674 -17.947 2.013 560 HG12 ILE 77 1HG1 ILE 77 -1.022 -15.813 3.326 561 HG13 ILE 77 2HG1 ILE 77 -2.716 -15.782 2.798 562 HG21 ILE 77 1HG2 ILE 77 -0.098 -18.474 3.563 563 HG22 ILE 77 2HG2 ILE 77 -1.696 -19.175 3.891 564 HG23 ILE 77 3HG2 ILE 77 -0.836 -19.625 2.425 565 HD11 ILE 77 3HD1 ILE 77 -3.248 -17.359 4.703 566 HD12 ILE 77 1HD1 ILE 77 -1.563 -17.125 5.265 567 HD13 ILE 77 2HD1 ILE 77 -2.674 -15.752 5.193 568 H MET 78 H MET 78 1.387 -18.402 0.708 569 HA MET 78 HA MET 78 0.202 -20.375 -1.177 570 HB2 MET 78 1HB MET 78 2.421 -20.394 -2.354 571 HB3 MET 78 2HB MET 78 1.414 -18.969 -2.603 572 HG2 MET 78 1HG MET 78 2.799 -17.582 -1.309 573 HG3 MET 78 2HG MET 78 3.581 -18.929 -0.494 574 HE1 MET 78 3HE MET 78 3.225 -19.240 -4.446 575 HE2 MET 78 1HE MET 78 3.058 -17.492 -4.153 576 HE3 MET 78 2HE MET 78 4.504 -18.129 -4.970 577 H ASP 79 H ASP 79 0.205 -22.314 -0.439 578 HA ASP 79 HA ASP 79 0.622 -24.243 0.643 579 HB2 ASP 79 1HB ASP 79 3.436 -23.509 -0.208 580 HB3 ASP 79 2HB ASP 79 2.951 -25.107 0.358 581 H GLU 80 H GLU 80 3.535 -22.493 1.735 582 HA GLU 80 HA GLU 80 2.860 -22.990 4.602 583 HB2 GLU 80 1HB GLU 80 5.674 -23.328 3.538 584 HB3 GLU 80 2HB GLU 80 5.038 -23.761 5.121 585 HG2 GLU 80 1HG GLU 80 3.633 -25.534 3.923 586 HG3 GLU 80 2HG GLU 80 4.558 -25.139 2.460 587 H PHE 81 H PHE 81 3.414 -20.645 2.338 588 HA PHE 81 HA PHE 81 4.903 -18.921 4.316 589 HD1 PHE 81 HD1 PHE 81 6.987 -20.754 3.686 590 HD2 PHE 81 HD2 PHE 81 5.803 -19.631 -0.280 591 HE1 PHE 81 HE1 PHE 81 8.237 -22.699 2.765 592 HE2 PHE 81 HE2 PHE 81 6.984 -21.586 -1.217 593 HZ PHE 81 HZ PHE 81 8.236 -23.129 0.314 594 HB2 PHE 81 1HB PHE 81 5.171 -18.280 1.397 595 HB3 PHE 81 2HB PHE 81 6.301 -18.133 2.681 596 H GLN 82 H GLN 82 4.654 -16.612 3.726 597 HA GLN 82 HA GLN 82 1.946 -15.908 2.628 598 HB2 GLN 82 1HB GLN 82 3.251 -14.175 4.674 599 HB3 GLN 82 2HB GLN 82 1.543 -14.462 4.292 600 HG2 GLN 82 1HG GLN 82 1.731 -16.690 5.394 601 HG3 GLN 82 2HG GLN 82 3.324 -16.135 5.999 602 HE21 GLN 82 1HE2 GLN 82 3.316 -14.078 7.314 603 HE22 GLN 82 2HE2 GLN 82 1.886 -13.751 8.277 604 H GLU 83 H GLU 83 1.862 -14.135 1.353 605 HA GLU 83 HA GLU 83 4.416 -12.836 0.497 606 HB2 GLU 83 1HB GLU 83 2.055 -13.913 -1.086 607 HB3 GLU 83 2HB GLU 83 2.932 -12.519 -1.687 608 HG2 GLU 83 1HG GLU 83 5.028 -13.762 -1.659 609 HG3 GLU 83 2HG GLU 83 4.161 -15.233 -1.148 610 H TYR 84 H TYR 84 4.430 -10.738 0.598 611 HA TYR 84 HA TYR 84 1.885 -9.169 0.939 612 HD1 TYR 84 HD1 TYR 84 4.491 -10.940 3.376 613 HD2 TYR 84 HD2 TYR 84 1.411 -7.935 3.618 614 HE1 TYR 84 HE1 TYR 84 3.547 -12.083 5.389 615 HE2 TYR 84 HE2 TYR 84 0.536 -8.998 5.696 616 HH TYR 84 HH TYR 84 0.777 -10.699 7.209 617 HB2 TYR 84 1HB TYR 84 4.662 -8.749 2.104 618 HB3 TYR 84 2HB TYR 84 3.356 -7.589 2.185 619 H THR 85 H THR 85 1.597 -7.627 -0.643 620 HA THR 85 HA THR 85 4.004 -6.451 -1.901 621 HB THR 85 HB THR 85 3.504 -6.846 -4.065 622 HG1 THR 85 HG1 THR 85 1.472 -7.352 -4.853 623 HG21 THR 85 3HG2 THR 85 2.126 -9.319 -2.896 624 HG22 THR 85 1HG2 THR 85 3.880 -9.128 -3.062 625 HG23 THR 85 2HG2 THR 85 2.864 -9.164 -4.504 626 H MET 86 H MET 86 3.795 -4.357 -2.412 627 HA MET 86 HA MET 86 1.173 -2.952 -2.188 628 HB2 MET 86 1HB MET 86 2.138 -2.762 -0.030 629 HB3 MET 86 2HB MET 86 3.726 -2.293 -0.678 630 HG2 MET 86 1HG MET 86 2.632 -0.225 -1.586 631 HG3 MET 86 2HG MET 86 1.119 -0.740 -0.833 632 HE1 MET 86 3HE MET 86 4.927 -0.331 -0.074 633 HE2 MET 86 1HE MET 86 4.390 1.324 -0.408 634 HE3 MET 86 2HE MET 86 4.922 0.879 1.230 635 H LEU 87 H LEU 87 0.975 -1.256 -3.423 636 HA LEU 87 HA LEU 87 3.168 -0.157 -5.110 637 HG LEU 87 HG LEU 87 1.999 0.538 -7.445 638 HB2 LEU 87 1HB LEU 87 2.173 -2.213 -6.279 639 HB3 LEU 87 2HB LEU 87 0.640 -1.370 -6.281 640 HD11 LEU 87 1HD1 LEU 87 3.799 -0.265 -8.867 641 HD12 LEU 87 2HD1 LEU 87 3.590 -1.922 -8.236 642 HD13 LEU 87 3HD1 LEU 87 4.160 -0.632 -7.167 643 HD21 LEU 87 3HD2 LEU 87 1.204 -1.998 -8.923 644 HD22 LEU 87 1HD2 LEU 87 1.445 -0.391 -9.656 645 HD23 LEU 87 2HD2 LEU 87 0.126 -0.649 -8.500 646 H CYS 88 H CYS 88 2.884 1.900 -4.447 647 HA CYS 88 HA CYS 88 0.377 3.322 -5.061 648 HB2 CYS 88 1HB CYS 88 0.277 2.860 -2.656 649 HB3 CYS 88 2HB CYS 88 1.909 3.419 -2.449 650 H LEU 89 H LEU 89 0.751 5.290 -5.942 651 HA LEU 89 HA LEU 89 3.324 6.069 -6.954 652 HG LEU 89 HG LEU 89 2.365 9.247 -6.822 653 HB2 LEU 89 1HB LEU 89 1.317 6.700 -8.115 654 HB3 LEU 89 2HB LEU 89 0.644 7.467 -6.684 655 HD11 LEU 89 1HD1 LEU 89 4.102 7.976 -8.075 656 HD12 LEU 89 2HD1 LEU 89 3.693 9.553 -8.791 657 HD13 LEU 89 3HD1 LEU 89 3.072 8.051 -9.517 658 HD21 LEU 89 3HD2 LEU 89 0.208 9.670 -7.913 659 HD22 LEU 89 1HD2 LEU 89 0.787 8.855 -9.392 660 HD23 LEU 89 2HD2 LEU 89 1.533 10.370 -8.864 661 H LEU 90 H LEU 90 1.636 6.894 -3.964 662 HA LEU 90 HA LEU 90 3.702 8.914 -3.216 663 HG LEU 90 HG LEU 90 2.413 8.650 -0.167 664 HB2 LEU 90 1HB LEU 90 1.407 9.612 -2.901 665 HB3 LEU 90 2HB LEU 90 0.981 8.106 -2.118 666 HD11 LEU 90 1HD1 LEU 90 3.462 10.745 0.092 667 HD12 LEU 90 2HD1 LEU 90 2.868 11.351 -1.465 668 HD13 LEU 90 3HD1 LEU 90 4.090 10.054 -1.390 669 HD21 LEU 90 3HD2 LEU 90 1.076 10.487 0.723 670 HD22 LEU 90 1HD2 LEU 90 0.073 9.313 -0.146 671 HD23 LEU 90 2HD2 LEU 90 0.473 10.866 -0.914 672 H CYS 91 H CYS 91 1.928 6.211 -1.607 673 HA CYS 91 HA CYS 91 3.761 6.093 0.474 674 HB2 CYS 91 1HB CYS 91 1.729 4.070 -0.481 675 HB3 CYS 91 2HB CYS 91 2.508 3.994 1.091 676 H GLY 92 H GLY 92 3.692 4.186 -2.511 677 HA2 GLY 92 1HA GLY 92 6.065 3.815 -3.282 678 HA3 GLY 92 2HA GLY 92 6.363 3.057 -1.741 679 H LYS 93 H LYS 93 7.192 1.743 -3.746 680 HA LYS 93 HA LYS 93 5.271 -0.499 -4.158 681 HB2 LYS 93 1HB LYS 93 5.810 0.425 -6.270 682 HB3 LYS 93 2HB LYS 93 7.507 0.523 -5.897 683 HG2 LYS 93 1HG LYS 93 7.653 -1.995 -5.830 684 HG3 LYS 93 2HG LYS 93 5.928 -2.077 -6.174 685 HD2 LYS 93 1HD LYS 93 7.140 -2.502 -8.213 686 HD3 LYS 93 2HD LYS 93 6.324 -0.941 -8.374 687 HE2 LYS 93 1HE LYS 93 8.456 0.227 -7.828 688 HE3 LYS 93 2HE LYS 93 9.261 -1.340 -7.651 689 HZ1 LYS 93 3HZ LYS 93 8.032 -0.333 -10.166 690 HZ2 LYS 93 1HZ LYS 93 8.782 -1.776 -10.001 691 HZ3 LYS 93 2HZ LYS 93 9.633 -0.393 -9.859 692 H ALA 94 H ALA 94 5.623 -2.174 -2.963 693 HA ALA 94 HA ALA 94 8.366 -3.042 -2.367 694 HB1 ALA 94 3HB ALA 94 7.803 -3.175 0.082 695 HB2 ALA 94 1HB ALA 94 7.735 -1.506 -0.513 696 HB3 ALA 94 2HB ALA 94 6.238 -2.429 -0.260 697 H GLU 95 H GLU 95 8.557 -5.218 -1.503 698 HA GLU 95 HA GLU 95 6.193 -6.929 -1.444 699 HB2 GLU 95 1HB GLU 95 6.733 -6.950 -3.831 700 HB3 GLU 95 2HB GLU 95 8.426 -7.309 -3.473 701 HG2 GLU 95 1HG GLU 95 7.817 -9.520 -2.602 702 HG3 GLU 95 2HG GLU 95 6.108 -9.169 -2.844 703 H ASP 96 H ASP 96 6.432 -8.635 -0.078 704 HA ASP 96 HA ASP 96 9.091 -9.455 0.880 705 HB2 ASP 96 1HB ASP 96 7.862 -7.629 2.416 706 HB3 ASP 96 2HB ASP 96 6.858 -8.973 2.880 707 H THR 97 H THR 97 9.104 -11.586 1.847 708 HA THR 97 HA THR 97 6.543 -13.050 1.802 709 HB THR 97 HB THR 97 8.962 -14.495 0.774 710 HG1 THR 97 HG1 THR 97 8.695 -12.760 -0.647 711 HG21 THR 97 3HG2 THR 97 6.903 -15.760 1.418 712 HG22 THR 97 1HG2 THR 97 7.238 -15.884 -0.324 713 HG23 THR 97 2HG2 THR 97 5.980 -14.776 0.274 714 H ILE 98 H ILE 98 6.241 -14.390 3.500 715 HA ILE 98 HA ILE 98 8.523 -14.808 5.415 716 HB ILE 98 HB ILE 98 5.616 -14.580 6.191 717 HG12 ILE 98 1HG1 ILE 98 7.649 -12.330 6.068 718 HG13 ILE 98 2HG1 ILE 98 6.120 -12.452 5.166 719 HG21 ILE 98 1HG2 ILE 98 8.172 -14.200 7.791 720 HG22 ILE 98 2HG2 ILE 98 6.514 -14.229 8.437 721 HG23 ILE 98 3HG2 ILE 98 7.199 -15.691 7.752 722 HD11 ILE 98 3HD1 ILE 98 4.891 -12.334 7.371 723 HD12 ILE 98 1HD1 ILE 98 6.448 -11.944 8.142 724 HD13 ILE 98 2HD1 ILE 98 5.777 -10.866 6.913 725 H SER 99 H SER 99 8.930 -16.904 5.878 726 HA SER 99 HA SER 99 7.043 -19.014 5.018 727 HG SER 99 HG SER 99 10.915 -19.594 6.091 728 HB2 SER 99 1HB SER 99 8.830 -20.570 5.816 729 HB3 SER 99 2HB SER 99 9.271 -19.497 4.479 730 H ILE 100 H ILE 100 5.713 -20.146 6.337 731 HA ILE 100 HA ILE 100 5.893 -19.716 9.267 732 HB ILE 100 HB ILE 100 3.453 -19.336 9.390 733 HG12 ILE 100 1HG1 ILE 100 2.302 -18.344 7.405 734 HG13 ILE 100 2HG1 ILE 100 3.570 -18.972 6.364 735 HG21 ILE 100 1HG2 ILE 100 3.565 -16.990 8.890 736 HG22 ILE 100 2HG2 ILE 100 5.144 -17.516 9.494 737 HG23 ILE 100 3HG2 ILE 100 4.907 -17.231 7.757 738 HD11 ILE 100 3HD1 ILE 100 2.889 -21.289 6.959 739 HD12 ILE 100 1HD1 ILE 100 1.708 -20.643 8.121 740 HD13 ILE 100 2HD1 ILE 100 1.506 -20.354 6.381 741 H LEU 101 H LEU 101 4.051 -21.066 10.382 742 HA LEU 101 HA LEU 101 3.928 -23.845 9.342 743 HG LEU 101 HG LEU 101 6.761 -23.090 10.202 744 HB2 LEU 101 1HB LEU 101 5.013 -22.734 11.956 745 HB3 LEU 101 2HB LEU 101 4.547 -24.423 11.824 746 HD11 LEU 101 1HD1 LEU 101 6.875 -25.049 12.533 747 HD12 LEU 101 2HD1 LEU 101 7.294 -23.323 12.599 748 HD13 LEU 101 3HD1 LEU 101 8.262 -24.428 11.611 749 HD21 LEU 101 3HD2 LEU 101 5.900 -26.015 10.397 750 HD22 LEU 101 1HD2 LEU 101 7.371 -25.424 9.593 751 HD23 LEU 101 2HD2 LEU 101 5.789 -24.980 8.954 752 HA PRO 102 HA PRO 102 -0.213 -23.708 10.963 753 HB2 PRO 102 1HB PRO 102 -0.611 -26.193 12.103 754 HB3 PRO 102 2HB PRO 102 -0.560 -25.879 10.343 755 HG2 PRO 102 1HG PRO 102 1.692 -26.844 12.129 756 HG3 PRO 102 2HG PRO 102 1.167 -27.512 10.550 757 HD2 PRO 102 1HD PRO 102 3.265 -25.827 10.716 758 HD3 PRO 102 2HD PRO 102 2.106 -25.684 9.367 759 H ASP 103 H ASP 103 2.422 -24.202 13.154 760 HA ASP 103 HA ASP 103 0.977 -23.909 15.655 761 HB2 ASP 103 1HB ASP 103 3.202 -25.062 15.289 762 HB3 ASP 103 2HB ASP 103 3.923 -23.478 15.011 763 H ASP 104 H ASP 104 1.449 -21.709 13.204 764 HA ASP 104 HA ASP 104 1.484 -19.496 12.920 765 HB2 ASP 104 1HB ASP 104 -0.732 -19.878 13.883 766 HB3 ASP 104 2HB ASP 104 -0.119 -19.477 15.485 767 HA PRO 105 HA PRO 105 4.974 -18.486 15.882 768 HB2 PRO 105 1HB PRO 105 7.129 -18.758 14.244 769 HB3 PRO 105 2HB PRO 105 6.384 -20.157 15.074 770 HG2 PRO 105 1HG PRO 105 5.915 -19.228 12.220 771 HG3 PRO 105 2HG PRO 105 6.299 -20.877 12.797 772 HD2 PRO 105 1HD PRO 105 3.725 -20.059 12.313 773 HD3 PRO 105 2HD PRO 105 4.129 -21.198 13.633 774 H ARG 106 H ARG 106 4.111 -17.580 12.622 775 HA ARG 106 HA ARG 106 4.463 -15.770 11.270 776 HE ARG 106 HE ARG 106 0.620 -15.304 13.968 777 HB2 ARG 106 1HB ARG 106 3.165 -13.865 12.039 778 HB3 ARG 106 2HB ARG 106 2.384 -15.404 12.360 779 HG2 ARG 106 1HG ARG 106 2.980 -15.272 14.750 780 HG3 ARG 106 2HG ARG 106 3.908 -13.793 14.452 781 HD2 ARG 106 1HD ARG 106 1.800 -13.158 15.375 782 HD3 ARG 106 2HD ARG 106 1.814 -12.678 13.671 783 HH11 ARG 106 1HH1 ARG 106 -0.170 -11.897 14.350 784 HH12 ARG 106 2HH1 ARG 106 -1.884 -12.203 14.276 785 HH21 ARG 106 1HH2 ARG 106 -1.536 -15.626 14.125 786 HH22 ARG 106 2HH2 ARG 106 -2.645 -14.268 14.088 787 H GLN 107 H GLN 107 6.911 -16.302 12.450 788 HA GLN 107 HA GLN 107 8.948 -15.431 13.072 789 HB2 GLN 107 1HB GLN 107 8.421 -13.833 10.544 790 HB3 GLN 107 2HB GLN 107 9.982 -14.366 11.167 791 HG2 GLN 107 1HG GLN 107 7.771 -16.113 10.012 792 HG3 GLN 107 2HG GLN 107 9.330 -15.758 9.292 793 HE21 GLN 107 1HE2 GLN 107 11.221 -16.933 10.079 794 HE22 GLN 107 2HE2 GLN 107 11.024 -18.299 11.168
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