NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20943 | 2gri | 7019 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 11.971 10.341 -7.742 2 HA ALA 1 HA ALA 1 12.837 9.507 -10.236 3 1HB ALA 1 1HB ALA 1 13.783 11.427 -10.974 4 2HB ALA 1 2HB ALA 1 14.061 12.047 -9.346 5 3HB ALA 1 3HB ALA 1 15.147 10.835 -10.026 6 HA PRO 2 HA PRO 2 14.520 7.410 -6.424 7 1HB PRO 2 1HB PRO 2 13.447 4.980 -6.985 8 2HB PRO 2 2HB PRO 2 12.577 6.231 -6.088 9 1HG PRO 2 1HG PRO 2 12.373 5.486 -8.980 10 2HG PRO 2 2HG PRO 2 11.079 5.865 -7.828 11 1HD PRO 2 1HD PRO 2 11.989 7.661 -9.638 12 2HD PRO 2 2HD PRO 2 11.384 8.139 -8.039 13 H ILE 3 H ILE 3 16.421 7.936 -7.941 14 HA ILE 3 HA ILE 3 17.216 5.773 -9.699 15 HB ILE 3 HB ILE 3 18.862 8.163 -8.878 16 1HG1 ILE 3 1HG1 ILE 3 17.025 7.894 -11.267 17 2HG1 ILE 3 2HG1 ILE 3 16.669 8.846 -9.830 18 1HG2 ILE 3 1HG2 ILE 3 20.249 6.565 -9.898 19 2HG2 ILE 3 2HG2 ILE 3 19.033 6.160 -11.108 20 3HG2 ILE 3 3HG2 ILE 3 19.860 7.715 -11.177 21 1HD1 ILE 3 1HD1 ILE 3 17.781 10.571 -10.646 22 2HD1 ILE 3 2HD1 ILE 3 19.226 9.587 -10.885 23 3HD1 ILE 3 3HD1 ILE 3 17.995 9.669 -12.146 24 H LYS 4 H LYS 4 19.255 4.656 -9.471 25 HA LYS 4 HA LYS 4 19.606 3.464 -6.970 26 1HB LYS 4 1HB LYS 4 20.711 3.203 -9.587 27 2HB LYS 4 2HB LYS 4 22.038 3.247 -8.435 28 1HG LYS 4 1HG LYS 4 19.762 1.496 -7.752 29 2HG LYS 4 2HG LYS 4 20.761 1.004 -9.121 30 1HD LYS 4 1HD LYS 4 22.084 0.067 -7.572 31 2HD LYS 4 2HD LYS 4 22.640 1.714 -7.264 32 1HE LYS 4 1HE LYS 4 21.148 1.965 -5.436 33 2HE LYS 4 2HE LYS 4 20.278 0.491 -5.855 34 1HZ LYS 4 1HZ LYS 4 22.158 0.593 -3.989 35 2HZ LYS 4 2HZ LYS 4 23.119 0.191 -5.322 36 3HZ LYS 4 3HZ LYS 4 21.823 -0.804 -4.883 37 H GLY 5 H GLY 5 22.216 3.352 -6.306 38 1HA GLY 5 2HA GLY 5 22.641 5.479 -4.624 39 2HA GLY 5 1HA GLY 5 23.930 4.451 -5.233 40 H VAL 6 H VAL 6 24.972 5.062 -7.236 41 HA VAL 6 HA VAL 6 24.879 7.976 -7.667 42 HB VAL 6 HB VAL 6 27.017 7.439 -6.803 43 1HG1 VAL 6 1HG1 VAL 6 27.621 5.290 -6.880 44 2HG1 VAL 6 2HG1 VAL 6 26.648 4.980 -8.320 45 3HG1 VAL 6 3HG1 VAL 6 28.272 5.653 -8.478 46 1HG2 VAL 6 1HG2 VAL 6 26.743 8.709 -9.131 47 2HG2 VAL 6 2HG2 VAL 6 28.315 8.443 -8.377 48 3HG2 VAL 6 3HG2 VAL 6 27.765 7.376 -9.670 49 H THR 7 H THR 7 23.349 7.982 -9.308 50 HA THR 7 HA THR 7 24.360 7.370 -11.927 51 HB THR 7 HB THR 7 21.713 6.099 -11.472 52 HG1 THR 7 1HG THR 7 22.481 4.659 -10.138 53 1HG2 THR 7 1HG2 THR 7 24.116 5.261 -13.097 54 2HG2 THR 7 2HG2 THR 7 22.794 6.259 -13.702 55 3HG2 THR 7 3HG2 THR 7 22.486 4.597 -13.199 56 H PHE 8 H PHE 8 23.213 8.405 -13.585 57 HA PHE 8 HA PHE 8 20.710 9.651 -13.267 58 1HB PHE 8 1HB PHE 8 21.296 11.957 -12.993 59 2HB PHE 8 2HB PHE 8 22.086 11.060 -11.699 60 HD1 PHE 8 1HD PHE 8 22.530 13.269 -14.480 61 HD2 PHE 8 2HD PHE 8 24.533 10.495 -11.948 62 HE1 PHE 8 1HE PHE 8 24.695 14.230 -15.145 63 HE2 PHE 8 2HE PHE 8 26.701 11.452 -12.608 64 HZ PHE 8 HZ PHE 8 26.784 13.323 -14.208 65 H GLY 9 H GLY 9 19.919 10.192 -15.225 66 1HA GLY 9 2HA GLY 9 19.822 10.329 -17.517 67 2HA GLY 9 1HA GLY 9 21.248 11.343 -17.357 68 H GLU 10 H GLU 10 20.472 7.868 -17.095 69 HA GLU 10 HA GLU 10 22.979 7.280 -18.498 70 1HB GLU 10 1HB GLU 10 21.247 5.783 -16.596 71 2HB GLU 10 2HB GLU 10 22.145 4.850 -17.784 72 1HG GLU 10 1HG GLU 10 23.422 6.858 -15.950 73 2HG GLU 10 2HG GLU 10 23.266 5.145 -15.565 74 H ASP 11 H ASP 11 19.514 6.995 -18.763 75 HA ASP 11 HA ASP 11 19.614 6.620 -21.567 76 1HB ASP 11 1HB ASP 11 20.170 4.286 -20.466 77 2HB ASP 11 2HB ASP 11 18.424 4.220 -20.238 78 H THR 12 H THR 12 17.575 5.769 -18.768 79 HA THR 12 HA THR 12 15.656 7.763 -19.261 80 HB THR 12 HB THR 12 15.127 6.362 -21.234 81 HG1 THR 12 1HG THR 12 13.289 7.305 -20.705 82 1HG2 THR 12 1HG2 THR 12 13.738 4.233 -19.963 83 2HG2 THR 12 2HG2 THR 12 15.391 4.248 -19.349 84 3HG2 THR 12 3HG2 THR 12 15.095 4.141 -21.084 85 H VAL 13 H VAL 13 13.578 7.312 -17.994 86 HA VAL 13 HA VAL 13 14.358 6.144 -15.437 87 HB VAL 13 HB VAL 13 11.746 7.535 -15.912 88 1HG1 VAL 13 1HG1 VAL 13 13.580 7.089 -13.581 89 2HG1 VAL 13 2HG1 VAL 13 12.332 8.337 -13.549 90 3HG1 VAL 13 3HG1 VAL 13 11.883 6.643 -13.756 91 1HG2 VAL 13 1HG2 VAL 13 13.231 9.582 -15.058 92 2HG2 VAL 13 2HG2 VAL 13 14.457 8.725 -15.993 93 3HG2 VAL 13 3HG2 VAL 13 12.963 9.250 -16.770 94 H TRP 14 H TRP 14 12.721 4.892 -14.212 95 HA TRP 14 HA TRP 14 11.377 3.074 -13.965 96 1HB TRP 14 1HB TRP 14 10.201 4.454 -16.327 97 2HB TRP 14 2HB TRP 14 9.676 2.804 -16.003 98 HD1 TRP 14 HD TRP 14 9.957 6.151 -14.049 99 HE1 TRP 14 1HE TRP 14 7.963 6.284 -12.427 100 HE3 TRP 14 3HE TRP 14 7.830 1.601 -15.003 101 HZ2 TRP 14 2HZ TRP 14 5.778 4.673 -11.654 102 HZ3 TRP 14 3HZ TRP 14 5.790 0.973 -13.780 103 HH2 TRP 14 HH TRP 14 4.787 2.478 -12.140 104 H GLU 15 H GLU 15 13.886 3.108 -15.758 105 HA GLU 15 HA GLU 15 13.497 0.383 -16.775 106 1HB GLU 15 1HB GLU 15 14.505 2.766 -18.273 107 2HB GLU 15 2HB GLU 15 15.173 1.183 -18.643 108 1HG GLU 15 1HG GLU 15 12.276 1.156 -18.528 109 2HG GLU 15 2HG GLU 15 12.895 2.297 -19.720 110 H VAL 16 H VAL 16 15.768 2.913 -15.813 111 HA VAL 16 HA VAL 16 17.777 0.844 -15.232 112 HB VAL 16 HB VAL 16 18.388 3.775 -15.173 113 1HG1 VAL 16 1HG1 VAL 16 20.074 2.229 -14.362 114 2HG1 VAL 16 2HG1 VAL 16 19.997 1.320 -15.872 115 3HG1 VAL 16 3HG1 VAL 16 20.607 2.975 -15.868 116 1HG2 VAL 16 1HG2 VAL 16 17.271 3.499 -17.290 117 2HG2 VAL 16 2HG2 VAL 16 19.006 3.638 -17.571 118 3HG2 VAL 16 3HG2 VAL 16 18.224 2.060 -17.649 119 H GLN 17 H GLN 17 15.986 3.538 -13.852 120 HA GLN 17 HA GLN 17 17.236 3.821 -11.408 121 1HB GLN 17 1HB GLN 17 15.386 5.007 -10.734 122 2HB GLN 17 2HB GLN 17 15.158 5.033 -12.478 123 1HG GLN 17 1HG GLN 17 13.672 3.033 -12.219 124 2HG GLN 17 2HG GLN 17 13.779 3.268 -10.475 125 1HE2 GLN 17 1HE2 GLN 17 11.411 3.350 -12.045 126 2HE2 GLN 17 2HE2 GLN 17 10.749 4.940 -11.905 127 H GLY 18 H GLY 18 15.130 1.273 -12.522 128 1HA GLY 18 2HA GLY 18 14.682 -0.795 -11.619 129 2HA GLY 18 1HA GLY 18 15.930 -0.470 -10.425 130 H TYR 19 H TYR 19 12.972 1.375 -11.023 131 HA TYR 19 HA TYR 19 11.698 0.314 -8.652 132 1HB TYR 19 1HB TYR 19 12.746 3.138 -8.781 133 2HB TYR 19 2HB TYR 19 11.434 2.673 -7.704 134 HD1 TYR 19 1HD TYR 19 11.900 0.772 -6.036 135 HD2 TYR 19 2HD TYR 19 14.968 2.857 -8.121 136 HE1 TYR 19 1HE TYR 19 13.536 0.031 -4.356 137 HE2 TYR 19 2HE TYR 19 16.613 2.121 -6.447 138 HH TYR 19 HH TYR 19 15.773 -0.177 -3.931 139 H LYS 20 H LYS 20 9.602 1.653 -8.231 140 HA LYS 20 HA LYS 20 8.469 2.828 -10.629 141 1HB LYS 20 1HB LYS 20 7.508 0.216 -9.473 142 2HB LYS 20 2HB LYS 20 6.471 1.243 -10.454 143 1HG LYS 20 1HG LYS 20 7.262 -0.105 -12.088 144 2HG LYS 20 2HG LYS 20 8.550 1.102 -12.102 145 1HD LYS 20 1HD LYS 20 10.066 -0.405 -11.471 146 2HD LYS 20 2HD LYS 20 9.057 -0.946 -10.128 147 1HE LYS 20 1HE LYS 20 8.979 -2.874 -11.284 148 2HE LYS 20 2HE LYS 20 7.740 -2.042 -12.221 149 1HZ LYS 20 1HZ LYS 20 10.160 -1.304 -13.326 150 2HZ LYS 20 2HZ LYS 20 9.012 -2.352 -13.991 151 3HZ LYS 20 3HZ LYS 20 10.280 -2.970 -13.058 152 H ASN 21 H ASN 21 5.893 3.041 -10.056 153 HA ASN 21 HA ASN 21 5.685 3.992 -7.286 154 1HB ASN 21 1HB ASN 21 4.866 5.571 -9.736 155 2HB ASN 21 2HB ASN 21 4.560 6.047 -8.068 156 1HD2 ASN 21 1HD2 ASN 21 7.125 5.310 -10.368 157 2HD2 ASN 21 2HD2 ASN 21 8.310 6.344 -9.652 158 H VAL 22 H VAL 22 3.887 3.319 -6.317 159 HA VAL 22 HA VAL 22 1.519 2.718 -7.946 160 HB VAL 22 HB VAL 22 2.581 0.884 -5.792 161 1HG1 VAL 22 1HG1 VAL 22 0.786 -0.637 -6.718 162 2HG1 VAL 22 2HG1 VAL 22 0.219 0.756 -5.795 163 3HG1 VAL 22 3HG1 VAL 22 0.147 0.776 -7.558 164 1HG2 VAL 22 1HG2 VAL 22 2.724 -0.695 -7.838 165 2HG2 VAL 22 2HG2 VAL 22 2.741 0.795 -8.781 166 3HG2 VAL 22 3HG2 VAL 22 4.003 0.494 -7.586 167 H ARG 23 H ARG 23 -0.459 2.965 -6.900 168 HA ARG 23 HA ARG 23 -0.338 4.142 -4.202 169 1HB ARG 23 1HB ARG 23 -1.508 5.201 -6.691 170 2HB ARG 23 2HB ARG 23 -2.552 5.307 -5.280 171 1HG ARG 23 1HG ARG 23 0.123 6.168 -4.646 172 2HG ARG 23 2HG ARG 23 -0.530 7.066 -6.017 173 1HD ARG 23 1HD ARG 23 -2.501 6.740 -3.927 174 2HD ARG 23 2HD ARG 23 -1.040 7.516 -3.318 175 HE ARG 23 HE ARG 23 -1.523 8.900 -5.568 176 1HH1 ARG 23 2HH1 ARG 23 -3.561 7.997 -2.893 177 2HH1 ARG 23 1HH1 ARG 23 -4.579 9.392 -3.029 178 1HH2 ARG 23 2HH2 ARG 23 -2.857 10.741 -5.757 179 2HH2 ARG 23 1HH2 ARG 23 -4.179 10.951 -4.658 180 H ILE 24 H ILE 24 -2.371 3.995 -2.988 181 HA ILE 24 HA ILE 24 -3.977 1.656 -3.784 182 HB ILE 24 HB ILE 24 -3.539 2.302 -0.898 183 1HG1 ILE 24 1HG1 ILE 24 -1.282 2.205 -1.795 184 2HG1 ILE 24 2HG1 ILE 24 -1.612 0.741 -0.874 185 1HG2 ILE 24 1HG2 ILE 24 -3.805 -0.391 -2.192 186 2HG2 ILE 24 2HG2 ILE 24 -4.159 0.080 -0.530 187 3HG2 ILE 24 3HG2 ILE 24 -5.215 0.608 -1.840 188 1HD1 ILE 24 1HD1 ILE 24 -0.702 0.972 -3.527 189 2HD1 ILE 24 2HD1 ILE 24 -1.083 -0.495 -2.624 190 3HD1 ILE 24 3HD1 ILE 24 -2.328 0.294 -3.591 191 H THR 25 H THR 25 -6.116 1.937 -3.804 192 HA THR 25 HA THR 25 -7.449 3.792 -2.064 193 HB THR 25 HB THR 25 -7.435 4.379 -5.031 194 HG1 THR 25 1HG THR 25 -5.883 5.711 -4.522 195 1HG2 THR 25 1HG2 THR 25 -8.723 6.450 -4.115 196 2HG2 THR 25 2HG2 THR 25 -9.086 5.393 -2.750 197 3HG2 THR 25 3HG2 THR 25 -9.588 4.936 -4.377 198 H PHE 26 H PHE 26 -8.319 1.615 -1.625 199 HA PHE 26 HA PHE 26 -10.472 0.933 -3.517 200 1HB PHE 26 1HB PHE 26 -8.726 -0.813 -3.432 201 2HB PHE 26 2HB PHE 26 -8.972 -0.960 -1.695 202 HD1 PHE 26 1HD PHE 26 -11.090 -0.952 -4.772 203 HD2 PHE 26 2HD PHE 26 -10.194 -2.773 -1.031 204 HE1 PHE 26 1HE PHE 26 -12.850 -2.624 -5.169 205 HE2 PHE 26 2HE PHE 26 -11.953 -4.448 -1.422 206 HZ PHE 26 HZ PHE 26 -13.283 -4.376 -3.493 207 H GLU 27 H GLU 27 -9.765 -0.153 -0.215 208 HA GLU 27 HA GLU 27 -11.675 1.426 1.098 209 1HB GLU 27 1HB GLU 27 -13.560 0.048 1.310 210 2HB GLU 27 2HB GLU 27 -13.148 -0.048 -0.396 211 1HG GLU 27 1HG GLU 27 -11.784 -2.150 0.377 212 2HG GLU 27 2HG GLU 27 -12.910 -2.109 1.733 213 H LEU 28 H LEU 28 -11.357 1.293 3.245 214 HA LEU 28 HA LEU 28 -10.311 -1.147 4.432 215 1HB LEU 28 1HB LEU 28 -8.605 0.959 3.686 216 2HB LEU 28 2HB LEU 28 -8.772 1.055 5.438 217 HG LEU 28 HG LEU 28 -6.809 -0.244 4.778 218 1HD1 LEU 28 1HD1 LEU 28 -9.035 -1.355 6.348 219 2HD1 LEU 28 2HD1 LEU 28 -7.357 -1.059 6.802 220 3HD1 LEU 28 3HD1 LEU 28 -7.781 -2.504 5.883 221 1HD2 LEU 28 1HD2 LEU 28 -8.072 -1.091 2.656 222 2HD2 LEU 28 2HD2 LEU 28 -8.572 -2.407 3.718 223 3HD2 LEU 28 3HD2 LEU 28 -6.858 -2.109 3.430 224 H ASP 29 H ASP 29 -10.871 2.305 5.133 225 HA ASP 29 HA ASP 29 -12.443 1.469 7.479 226 1HB ASP 29 1HB ASP 29 -11.031 4.089 7.552 227 2HB ASP 29 2HB ASP 29 -11.416 2.980 8.866 228 H GLU 30 H GLU 30 -13.501 3.789 8.298 229 HA GLU 30 HA GLU 30 -14.943 4.805 5.936 230 1HB GLU 30 1HB GLU 30 -15.948 4.023 8.656 231 2HB GLU 30 2HB GLU 30 -16.830 5.188 7.679 232 1HG GLU 30 1HG GLU 30 -16.209 2.948 6.048 233 2HG GLU 30 2HG GLU 30 -16.906 2.365 7.559 234 H ARG 31 H ARG 31 -13.601 5.537 9.101 235 HA ARG 31 HA ARG 31 -14.114 8.392 8.695 236 1HB ARG 31 1HB ARG 31 -12.912 7.086 11.135 237 2HB ARG 31 2HB ARG 31 -13.616 8.692 11.011 238 1HG ARG 31 1HG ARG 31 -15.125 6.100 10.746 239 2HG ARG 31 2HG ARG 31 -15.086 7.129 12.180 240 1HD ARG 31 1HD ARG 31 -15.928 8.984 10.606 241 2HD ARG 31 2HD ARG 31 -16.329 7.667 9.504 242 HE ARG 31 HE ARG 31 -17.418 7.036 11.983 243 1HH1 ARG 31 2HH1 ARG 31 -17.783 9.469 9.520 244 2HH1 ARG 31 1HH1 ARG 31 -19.457 9.754 9.866 245 1HH2 ARG 31 2HH2 ARG 31 -19.621 7.402 12.448 246 2HH2 ARG 31 1HH2 ARG 31 -20.501 8.578 11.532 247 H VAL 32 H VAL 32 -11.448 6.150 9.384 248 HA VAL 32 HA VAL 32 -9.526 8.263 8.712 249 HB VAL 32 HB VAL 32 -7.817 6.628 9.567 250 1HG1 VAL 32 1HG1 VAL 32 -10.001 7.484 11.462 251 2HG1 VAL 32 2HG1 VAL 32 -8.373 6.997 11.938 252 3HG1 VAL 32 3HG1 VAL 32 -8.612 8.445 10.959 253 1HG2 VAL 32 1HG2 VAL 32 -9.956 5.126 10.961 254 2HG2 VAL 32 2HG2 VAL 32 -9.672 4.735 9.264 255 3HG2 VAL 32 3HG2 VAL 32 -8.358 4.598 10.432 256 H ASP 33 H ASP 33 -11.025 7.185 6.597 257 HA ASP 33 HA ASP 33 -9.517 5.142 5.259 258 1HB ASP 33 1HB ASP 33 -12.068 6.035 5.013 259 2HB ASP 33 2HB ASP 33 -11.309 6.857 3.653 260 H LYS 34 H LYS 34 -9.818 8.656 4.983 261 HA LYS 34 HA LYS 34 -8.059 8.872 2.746 262 1HB LYS 34 1HB LYS 34 -8.548 11.094 2.784 263 2HB LYS 34 2HB LYS 34 -9.875 10.538 3.796 264 1HG LYS 34 1HG LYS 34 -7.242 11.575 4.824 265 2HG LYS 34 2HG LYS 34 -8.731 12.516 4.706 266 1HD LYS 34 1HD LYS 34 -8.799 9.925 6.172 267 2HD LYS 34 2HD LYS 34 -8.037 11.313 6.952 268 1HE LYS 34 1HE LYS 34 -10.514 12.128 5.780 269 2HE LYS 34 2HE LYS 34 -10.787 10.698 6.774 270 1HZ LYS 34 1HZ LYS 34 -10.986 12.845 7.978 271 2HZ LYS 34 2HZ LYS 34 -9.335 13.106 7.721 272 3HZ LYS 34 3HZ LYS 34 -9.848 11.788 8.650 273 H VAL 35 H VAL 35 -7.567 8.348 6.053 274 HA VAL 35 HA VAL 35 -5.078 9.701 6.371 275 HB VAL 35 HB VAL 35 -6.201 7.374 7.938 276 1HG1 VAL 35 1HG1 VAL 35 -3.725 8.953 8.158 277 2HG1 VAL 35 2HG1 VAL 35 -4.615 8.713 9.663 278 3HG1 VAL 35 3HG1 VAL 35 -4.087 7.320 8.719 279 1HG2 VAL 35 1HG2 VAL 35 -7.717 9.209 8.079 280 2HG2 VAL 35 2HG2 VAL 35 -6.797 9.170 9.583 281 3HG2 VAL 35 3HG2 VAL 35 -6.401 10.354 8.337 282 H LEU 36 H LEU 36 -6.011 6.772 4.867 283 HA LEU 36 HA LEU 36 -3.187 5.952 4.684 284 1HB LEU 36 1HB LEU 36 -3.767 3.712 4.754 285 2HB LEU 36 2HB LEU 36 -4.831 4.443 5.953 286 HG LEU 36 HG LEU 36 -6.426 4.513 3.769 287 1HD1 LEU 36 1HD1 LEU 36 -4.311 2.916 2.934 288 2HD1 LEU 36 2HD1 LEU 36 -5.904 3.043 2.188 289 3HD1 LEU 36 3HD1 LEU 36 -5.585 1.779 3.375 290 1HD2 LEU 36 1HD2 LEU 36 -6.694 3.534 6.153 291 2HD2 LEU 36 2HD2 LEU 36 -6.260 2.003 5.390 292 3HD2 LEU 36 3HD2 LEU 36 -7.683 2.891 4.841 293 H ASN 37 H ASN 37 -5.525 7.420 3.012 294 HA ASN 37 HA ASN 37 -4.697 6.213 0.454 295 1HB ASN 37 1HB ASN 37 -6.990 5.749 0.578 296 2HB ASN 37 2HB ASN 37 -7.357 7.295 1.338 297 1HD2 ASN 37 1HD2 ASN 37 -8.783 8.134 -0.054 298 2HD2 ASN 37 2HD2 ASN 37 -8.465 8.447 -1.723 299 H GLU 38 H GLU 38 -5.245 9.132 2.284 300 HA GLU 38 HA GLU 38 -4.208 10.725 0.036 301 1HB GLU 38 1HB GLU 38 -6.303 11.617 0.613 302 2HB GLU 38 2HB GLU 38 -6.013 11.418 2.336 303 1HG GLU 38 1HG GLU 38 -5.935 13.777 1.394 304 2HG GLU 38 2HG GLU 38 -4.606 13.273 2.437 305 H LYS 39 H LYS 39 -3.969 10.239 3.537 306 HA LYS 39 HA LYS 39 -1.958 12.061 4.112 307 1HB LYS 39 1HB LYS 39 -3.360 10.310 5.588 308 2HB LYS 39 2HB LYS 39 -1.839 9.433 5.488 309 1HG LYS 39 1HG LYS 39 -1.067 10.662 7.155 310 2HG LYS 39 2HG LYS 39 -1.176 12.088 6.120 311 1HD LYS 39 1HD LYS 39 -3.404 11.004 7.845 312 2HD LYS 39 2HD LYS 39 -2.379 12.383 8.248 313 1HE LYS 39 1HE LYS 39 -3.376 12.860 5.662 314 2HE LYS 39 2HE LYS 39 -4.740 12.284 6.620 315 1HZ LYS 39 1HZ LYS 39 -2.940 14.517 7.392 316 2HZ LYS 39 2HZ LYS 39 -4.301 13.991 8.247 317 3HZ LYS 39 3HZ LYS 39 -4.483 14.700 6.722 318 H CYS 40 H CYS 40 -1.709 8.743 2.917 319 HA CYS 40 HA CYS 40 0.664 9.168 1.513 320 1HB CYS 40 1HB CYS 40 2.180 7.735 2.990 321 2HB CYS 40 2HB CYS 40 1.884 9.386 3.522 322 HG CYS 40 HG CYS 40 1.706 8.262 5.894 323 H SER 41 H SER 41 -0.595 7.986 0.034 324 HA SER 41 HA SER 41 -0.865 5.116 0.640 325 1HB SER 41 1HB SER 41 -2.847 6.821 -0.141 326 2HB SER 41 2HB SER 41 -2.324 6.171 -1.695 327 HG SER 41 HG SER 41 -2.473 4.055 -0.420 328 H VAL 42 H VAL 42 1.088 7.217 -0.923 329 HA VAL 42 HA VAL 42 1.514 5.623 -3.322 330 HB VAL 42 HB VAL 42 1.629 8.003 -3.633 331 1HG1 VAL 42 1HG1 VAL 42 2.140 8.776 -1.438 332 2HG1 VAL 42 2HG1 VAL 42 3.697 7.946 -1.443 333 3HG1 VAL 42 3HG1 VAL 42 3.431 9.330 -2.503 334 1HG2 VAL 42 1HG2 VAL 42 3.165 6.640 -4.961 335 2HG2 VAL 42 2HG2 VAL 42 3.851 8.229 -4.623 336 3HG2 VAL 42 3HG2 VAL 42 4.404 6.819 -3.719 337 H TYR 43 H TYR 43 3.190 4.267 -3.660 338 HA TYR 43 HA TYR 43 5.398 4.201 -1.748 339 1HB TYR 43 1HB TYR 43 3.819 1.720 -2.451 340 2HB TYR 43 2HB TYR 43 5.189 1.823 -1.352 341 HD1 TYR 43 1HD TYR 43 4.890 2.423 0.918 342 HD2 TYR 43 2HD TYR 43 1.657 2.828 -1.819 343 HE1 TYR 43 1HE TYR 43 3.356 2.828 2.798 344 HE2 TYR 43 2HE TYR 43 0.115 3.235 0.053 345 HH TYR 43 HH TYR 43 0.814 4.210 2.834 346 H THR 44 H THR 44 7.243 2.998 -2.503 347 HA THR 44 HA THR 44 7.407 3.002 -5.428 348 HB THR 44 HB THR 44 9.795 2.616 -3.664 349 HG1 THR 44 1HG THR 44 9.863 5.061 -3.825 350 1HG2 THR 44 1HG2 THR 44 9.654 2.615 -6.290 351 2HG2 THR 44 2HG2 THR 44 10.998 3.402 -5.463 352 3HG2 THR 44 3HG2 THR 44 9.655 4.365 -6.078 353 H VAL 45 H VAL 45 8.022 1.233 -6.612 354 HA VAL 45 HA VAL 45 8.243 -1.310 -5.135 355 HB VAL 45 HB VAL 45 7.027 -0.872 -7.867 356 1HG1 VAL 45 1HG1 VAL 45 7.772 -3.297 -6.328 357 2HG1 VAL 45 2HG1 VAL 45 6.261 -3.335 -7.238 358 3HG1 VAL 45 3HG1 VAL 45 7.784 -3.011 -8.068 359 1HG2 VAL 45 1HG2 VAL 45 5.722 -0.082 -5.832 360 2HG2 VAL 45 2HG2 VAL 45 4.910 -1.230 -6.897 361 3HG2 VAL 45 3HG2 VAL 45 5.611 -1.782 -5.376 362 H GLU 46 H GLU 46 10.178 -2.210 -5.300 363 HA GLU 46 HA GLU 46 12.223 -1.310 -6.981 364 1HB GLU 46 1HB GLU 46 11.957 -3.179 -4.895 365 2HB GLU 46 2HB GLU 46 12.618 -4.072 -6.257 366 1HG GLU 46 1HG GLU 46 14.149 -1.834 -6.304 367 2HG GLU 46 2HG GLU 46 13.843 -2.012 -4.577 368 H SER 47 H SER 47 13.450 -3.296 -8.253 369 HA SER 47 HA SER 47 11.831 -3.648 -10.598 370 1HB SER 47 1HB SER 47 14.242 -3.148 -10.758 371 2HB SER 47 2HB SER 47 14.609 -4.690 -9.986 372 HG SER 47 HG SER 47 13.745 -4.149 -12.571 373 H GLY 48 H GLY 48 13.539 -5.935 -8.450 374 1HA GLY 48 2HA GLY 48 11.737 -8.055 -9.404 375 2HA GLY 48 1HA GLY 48 13.285 -8.311 -8.612 376 H THR 49 H THR 49 9.906 -7.581 -8.156 377 HA THR 49 HA THR 49 10.153 -8.423 -5.362 378 HB THR 49 HB THR 49 8.336 -6.124 -5.993 379 HG1 THR 49 1HG THR 49 11.039 -5.826 -5.145 380 1HG2 THR 49 1HG2 THR 49 7.868 -6.718 -3.853 381 2HG2 THR 49 2HG2 THR 49 9.278 -5.716 -3.507 382 3HG2 THR 49 3HG2 THR 49 9.443 -7.469 -3.603 383 H GLU 50 H GLU 50 8.023 -8.961 -4.394 384 HA GLU 50 HA GLU 50 6.240 -10.087 -6.447 385 1HB GLU 50 1HB GLU 50 7.275 -11.097 -3.887 386 2HB GLU 50 2HB GLU 50 5.553 -11.361 -4.125 387 1HG GLU 50 1HG GLU 50 7.005 -12.042 -6.507 388 2HG GLU 50 2HG GLU 50 7.667 -12.892 -5.112 389 H VAL 51 H VAL 51 3.945 -10.150 -5.967 390 HA VAL 51 HA VAL 51 2.947 -7.646 -5.135 391 HB VAL 51 HB VAL 51 1.304 -10.163 -5.344 392 1HG1 VAL 51 1HG1 VAL 51 -0.333 -8.413 -6.279 393 2HG1 VAL 51 2HG1 VAL 51 -0.044 -8.440 -4.539 394 3HG1 VAL 51 3HG1 VAL 51 0.744 -7.225 -5.546 395 1HG2 VAL 51 1HG2 VAL 51 1.131 -8.849 -7.779 396 2HG2 VAL 51 2HG2 VAL 51 2.852 -8.827 -7.397 397 3HG2 VAL 51 3HG2 VAL 51 1.983 -10.360 -7.459 398 H THR 52 H THR 52 3.850 -10.395 -3.367 399 HA THR 52 HA THR 52 2.074 -9.836 -1.127 400 HB THR 52 HB THR 52 2.418 -12.167 -1.566 401 HG1 THR 52 1HG THR 52 3.310 -12.792 0.477 402 1HG2 THR 52 1HG2 THR 52 4.789 -13.102 -1.239 403 2HG2 THR 52 2HG2 THR 52 5.334 -11.448 -1.515 404 3HG2 THR 52 3HG2 THR 52 4.427 -12.298 -2.765 405 H GLU 53 H GLU 53 5.310 -9.200 -2.159 406 HA GLU 53 HA GLU 53 6.496 -8.737 0.365 407 1HB GLU 53 1HB GLU 53 7.462 -8.889 -2.143 408 2HB GLU 53 2HB GLU 53 7.429 -7.142 -1.953 409 1HG GLU 53 1HG GLU 53 8.560 -8.253 0.396 410 2HG GLU 53 2HG GLU 53 9.346 -8.994 -0.997 411 H PHE 54 H PHE 54 4.558 -6.760 -1.771 412 HA PHE 54 HA PHE 54 5.096 -4.292 -0.424 413 1HB PHE 54 1HB PHE 54 2.661 -4.799 -2.113 414 2HB PHE 54 2HB PHE 54 3.575 -3.307 -1.915 415 HD1 PHE 54 1HD PHE 54 6.238 -3.813 -2.537 416 HD2 PHE 54 2HD PHE 54 2.790 -5.646 -4.229 417 HE1 PHE 54 1HE PHE 54 7.516 -4.325 -4.576 418 HE2 PHE 54 2HE PHE 54 4.062 -6.162 -6.271 419 HZ PHE 54 HZ PHE 54 6.428 -5.502 -6.446 420 H ALA 55 H ALA 55 3.041 -6.960 0.155 421 HA ALA 55 HA ALA 55 0.991 -5.599 1.599 422 1HB ALA 55 1HB ALA 55 -0.005 -7.593 1.630 423 2HB ALA 55 2HB ALA 55 1.326 -8.151 0.616 424 3HB ALA 55 3HB ALA 55 1.396 -8.374 2.364 425 H CYS 56 H CYS 56 4.203 -6.193 2.300 426 HA CYS 56 HA CYS 56 3.704 -6.131 5.202 427 1HB CYS 56 1HB CYS 56 5.107 -8.023 4.022 428 2HB CYS 56 2HB CYS 56 6.382 -6.812 4.055 429 HG CYS 56 HG CYS 56 4.741 -7.507 6.942 430 H VAL 57 H VAL 57 4.808 -4.342 2.553 431 HA VAL 57 HA VAL 57 6.336 -2.506 4.269 432 HB VAL 57 HB VAL 57 6.230 -2.606 1.251 433 1HG1 VAL 57 1HG1 VAL 57 8.279 -1.154 1.487 434 2HG1 VAL 57 2HG1 VAL 57 6.749 -0.393 1.925 435 3HG1 VAL 57 3HG1 VAL 57 7.845 -0.961 3.185 436 1HG2 VAL 57 1HG2 VAL 57 8.371 -3.653 1.302 437 2HG2 VAL 57 2HG2 VAL 57 8.484 -3.472 3.053 438 3HG2 VAL 57 3HG2 VAL 57 7.306 -4.584 2.356 439 H VAL 58 H VAL 58 3.459 -2.826 2.376 440 HA VAL 58 HA VAL 58 2.925 0.033 2.366 441 HB VAL 58 HB VAL 58 1.237 -2.273 1.384 442 1HG1 VAL 58 1HG1 VAL 58 0.614 0.504 1.832 443 2HG1 VAL 58 2HG1 VAL 58 0.467 0.095 0.122 444 3HG1 VAL 58 3HG1 VAL 58 -0.442 -0.816 1.329 445 1HG2 VAL 58 1HG2 VAL 58 2.266 -2.128 -0.602 446 2HG2 VAL 58 2HG2 VAL 58 2.324 -0.366 -0.551 447 3HG2 VAL 58 3HG2 VAL 58 3.551 -1.314 0.290 448 H ALA 59 H ALA 59 1.641 -2.916 3.849 449 HA ALA 59 HA ALA 59 -0.462 -1.625 5.258 450 1HB ALA 59 1HB ALA 59 -0.995 -3.686 6.055 451 2HB ALA 59 2HB ALA 59 0.013 -4.178 4.694 452 3HB ALA 59 3HB ALA 59 0.687 -4.142 6.323 453 H GLU 60 H GLU 60 2.920 -2.007 5.841 454 HA GLU 60 HA GLU 60 3.025 -1.819 8.623 455 1HB GLU 60 1HB GLU 60 4.865 -1.599 6.422 456 2HB GLU 60 2HB GLU 60 5.209 -0.351 7.611 457 1HG GLU 60 1HG GLU 60 4.907 -2.486 9.227 458 2HG GLU 60 2HG GLU 60 5.534 -3.267 7.776 459 H ALA 61 H ALA 61 3.714 0.871 6.386 460 HA ALA 61 HA ALA 61 3.577 2.921 8.231 461 1HB ALA 61 1HB ALA 61 3.113 2.814 5.279 462 2HB ALA 61 2HB ALA 61 2.866 4.319 6.166 463 3HB ALA 61 3HB ALA 61 4.447 3.538 6.178 464 H VAL 62 H VAL 62 0.973 1.311 6.508 465 HA VAL 62 HA VAL 62 -1.116 3.081 6.974 466 HB VAL 62 HB VAL 62 -1.197 0.063 6.885 467 1HG1 VAL 62 1HG1 VAL 62 -3.292 2.065 7.319 468 2HG1 VAL 62 2HG1 VAL 62 -3.638 0.913 6.027 469 3HG1 VAL 62 3HG1 VAL 62 -3.287 0.335 7.657 470 1HG2 VAL 62 1HG2 VAL 62 -1.358 0.193 4.622 471 2HG2 VAL 62 2HG2 VAL 62 -2.152 1.768 4.656 472 3HG2 VAL 62 3HG2 VAL 62 -0.409 1.654 4.897 473 H VAL 63 H VAL 63 0.565 1.019 9.173 474 HA VAL 63 HA VAL 63 -1.485 0.988 11.190 475 HB VAL 63 HB VAL 63 1.440 0.247 11.308 476 1HG1 VAL 63 1HG1 VAL 63 1.258 0.362 13.523 477 2HG1 VAL 63 2HG1 VAL 63 -0.476 0.676 13.432 478 3HG1 VAL 63 3HG1 VAL 63 0.122 -0.983 13.420 479 1HG2 VAL 63 1HG2 VAL 63 0.634 -2.039 11.319 480 2HG2 VAL 63 2HG2 VAL 63 -1.037 -1.477 11.285 481 3HG2 VAL 63 3HG2 VAL 63 0.018 -1.192 9.900 482 H LYS 64 H LYS 64 1.833 2.290 11.316 483 HA LYS 64 HA LYS 64 1.424 3.952 13.511 484 1HB LYS 64 1HB LYS 64 3.439 5.207 12.630 485 2HB LYS 64 2HB LYS 64 3.659 3.479 12.870 486 1HG LYS 64 1HG LYS 64 2.760 3.832 10.221 487 2HG LYS 64 2HG LYS 64 4.028 5.027 10.507 488 1HD LYS 64 1HD LYS 64 4.242 2.057 11.003 489 2HD LYS 64 2HD LYS 64 4.962 2.938 9.653 490 1HE LYS 64 1HE LYS 64 5.752 4.248 12.029 491 2HE LYS 64 2HE LYS 64 5.991 2.521 12.285 492 1HZ LYS 64 1HZ LYS 64 6.920 3.716 9.772 493 2HZ LYS 64 2HZ LYS 64 7.539 2.395 10.628 494 3HZ LYS 64 3HZ LYS 64 7.834 3.969 11.174 495 H THR 65 H THR 65 0.602 4.395 10.175 496 HA THR 65 HA THR 65 0.270 7.240 10.311 497 HB THR 65 HB THR 65 -0.727 5.233 8.282 498 HG1 THR 65 1HG THR 65 1.382 7.134 8.072 499 1HG2 THR 65 1HG2 THR 65 -0.714 8.252 8.173 500 2HG2 THR 65 2HG2 THR 65 -2.140 7.218 8.262 501 3HG2 THR 65 3HG2 THR 65 -1.113 7.182 6.829 502 H LEU 66 H LEU 66 -1.679 4.481 11.053 503 HA LEU 66 HA LEU 66 -3.989 6.254 11.509 504 1HB LEU 66 1HB LEU 66 -3.838 3.420 10.555 505 2HB LEU 66 2HB LEU 66 -5.285 4.019 11.363 506 HG LEU 66 HG LEU 66 -5.199 5.881 9.540 507 1HD1 LEU 66 1HD1 LEU 66 -3.902 5.602 7.729 508 2HD1 LEU 66 2HD1 LEU 66 -4.073 3.847 7.746 509 3HD1 LEU 66 3HD1 LEU 66 -2.912 4.629 8.818 510 1HD2 LEU 66 1HD2 LEU 66 -6.030 3.565 8.086 511 2HD2 LEU 66 2HD2 LEU 66 -7.016 4.802 8.865 512 3HD2 LEU 66 3HD2 LEU 66 -6.488 3.388 9.780 513 H GLN 67 H GLN 67 -2.344 6.338 13.519 514 HA GLN 67 HA GLN 67 -3.481 4.499 15.517 515 1HB GLN 67 1HB GLN 67 -0.637 5.330 15.089 516 2HB GLN 67 2HB GLN 67 -1.192 4.945 16.712 517 1HG GLN 67 1HG GLN 67 -2.085 2.877 15.013 518 2HG GLN 67 2HG GLN 67 -0.393 3.185 14.626 519 1HE2 GLN 67 1HE2 GLN 67 0.891 1.867 15.678 520 2HE2 GLN 67 2HE2 GLN 67 0.692 1.325 17.307 521 HA PRO 68 HA PRO 68 -3.679 9.174 16.555 522 1HB PRO 68 1HB PRO 68 -6.244 9.684 15.828 523 2HB PRO 68 2HB PRO 68 -4.874 9.908 14.735 524 1HG PRO 68 1HG PRO 68 -6.800 7.623 14.914 525 2HG PRO 68 2HG PRO 68 -6.162 8.438 13.474 526 1HD PRO 68 1HD PRO 68 -5.196 6.067 14.355 527 2HD PRO 68 2HD PRO 68 -4.176 7.269 13.539 528 H VAL 69 H VAL 69 -6.418 6.887 16.670 529 HA VAL 69 HA VAL 69 -6.403 6.973 19.566 530 HB VAL 69 HB VAL 69 -8.909 7.451 19.598 531 1HG1 VAL 69 1HG1 VAL 69 -6.853 9.023 20.114 532 2HG1 VAL 69 2HG1 VAL 69 -7.473 9.901 18.714 533 3HG1 VAL 69 3HG1 VAL 69 -8.505 9.639 20.121 534 1HG2 VAL 69 1HG2 VAL 69 -8.262 8.589 16.880 535 2HG2 VAL 69 2HG2 VAL 69 -9.316 7.213 17.205 536 3HG2 VAL 69 3HG2 VAL 69 -9.771 8.823 17.761 537 H SER 70 H SER 70 -5.741 4.758 18.714 538 HA SER 70 HA SER 70 -7.471 2.995 17.462 539 1HB SER 70 1HB SER 70 -6.123 1.416 19.311 540 2HB SER 70 2HB SER 70 -5.564 1.824 17.689 541 HG SER 70 HG SER 70 -3.973 2.738 18.711 542 H ASP 71 H ASP 71 -7.501 4.190 20.720 543 HA ASP 71 HA ASP 71 -8.964 2.263 22.054 544 1HB ASP 71 1HB ASP 71 -8.088 4.823 22.618 545 2HB ASP 71 2HB ASP 71 -9.841 4.976 22.695 546 H LEU 72 H LEU 72 -9.994 4.507 19.615 547 HA LEU 72 HA LEU 72 -12.813 4.070 20.128 548 1HB LEU 72 1HB LEU 72 -11.311 5.615 18.030 549 2HB LEU 72 2HB LEU 72 -13.065 5.441 18.015 550 HG LEU 72 HG LEU 72 -11.592 6.634 20.350 551 1HD1 LEU 72 1HD1 LEU 72 -11.282 8.562 19.295 552 2HD1 LEU 72 2HD1 LEU 72 -12.930 8.557 18.669 553 3HD1 LEU 72 3HD1 LEU 72 -11.650 7.723 17.788 554 1HD2 LEU 72 1HD2 LEU 72 -13.620 7.075 21.205 555 2HD2 LEU 72 2HD2 LEU 72 -14.163 5.793 20.122 556 3HD2 LEU 72 3HD2 LEU 72 -14.308 7.483 19.633 557 H LEU 73 H LEU 73 -10.484 3.320 17.548 558 HA LEU 73 HA LEU 73 -12.139 1.986 15.794 559 1HB LEU 73 1HB LEU 73 -9.365 1.026 16.423 560 2HB LEU 73 2HB LEU 73 -10.216 0.984 14.879 561 HG LEU 73 HG LEU 73 -9.003 3.377 16.249 562 1HD1 LEU 73 1HD1 LEU 73 -8.491 2.243 13.510 563 2HD1 LEU 73 2HD1 LEU 73 -7.543 1.817 14.934 564 3HD1 LEU 73 3HD1 LEU 73 -7.570 3.484 14.360 565 1HD2 LEU 73 1HD2 LEU 73 -11.228 3.229 14.395 566 2HD2 LEU 73 2HD2 LEU 73 -9.884 4.171 13.751 567 3HD2 LEU 73 3HD2 LEU 73 -10.602 4.605 15.302 568 H THR 74 H THR 74 -10.348 0.609 18.542 569 HA THR 74 HA THR 74 -11.224 -2.037 18.227 570 HB THR 74 HB THR 74 -10.817 -1.155 21.010 571 HG1 THR 74 1HG THR 74 -9.174 0.087 20.528 572 1HG2 THR 74 1HG2 THR 74 -9.815 -3.310 19.185 573 2HG2 THR 74 2HG2 THR 74 -10.695 -3.456 20.706 574 3HG2 THR 74 3HG2 THR 74 -8.997 -2.983 20.711 575 H ASN 75 H ASN 75 -12.799 0.758 19.519 576 HA ASN 75 HA ASN 75 -14.814 -0.739 20.950 577 1HB ASN 75 1HB ASN 75 -14.430 1.312 21.973 578 2HB ASN 75 2HB ASN 75 -14.287 2.166 20.438 579 1HD2 ASN 75 1HD2 ASN 75 -15.834 3.622 20.351 580 2HD2 ASN 75 2HD2 ASN 75 -17.498 3.361 20.737 581 H MET 76 H MET 76 -14.352 0.535 17.776 582 HA MET 76 HA MET 76 -17.182 0.319 17.110 583 1HB MET 76 1HB MET 76 -14.830 1.133 15.393 584 2HB MET 76 2HB MET 76 -16.521 1.217 14.921 585 1HG MET 76 1HG MET 76 -16.913 2.815 16.765 586 2HG MET 76 2HG MET 76 -15.186 2.785 17.112 587 1HE MET 76 1HE MET 76 -13.475 3.117 14.709 588 2HE MET 76 2HE MET 76 -13.556 4.857 14.438 589 3HE MET 76 3HE MET 76 -13.508 4.222 16.083 590 H GLY 77 H GLY 77 -14.221 -1.445 16.796 591 1HA GLY 77 2HA GLY 77 -14.717 -3.898 16.437 592 2HA GLY 77 1HA GLY 77 -15.560 -3.362 14.991 593 H ILE 78 H ILE 78 -13.290 -1.246 14.830 594 HA ILE 78 HA ILE 78 -11.627 -2.852 13.088 595 HB ILE 78 HB ILE 78 -11.572 0.104 13.705 596 1HG1 ILE 78 1HG1 ILE 78 -12.468 -1.345 11.206 597 2HG1 ILE 78 2HG1 ILE 78 -13.564 -0.781 12.463 598 1HG2 ILE 78 1HG2 ILE 78 -10.189 0.049 11.494 599 2HG2 ILE 78 2HG2 ILE 78 -9.401 -0.275 13.037 600 3HG2 ILE 78 3HG2 ILE 78 -9.847 -1.612 11.977 601 1HD1 ILE 78 1HD1 ILE 78 -12.055 0.754 10.428 602 2HD1 ILE 78 2HD1 ILE 78 -13.706 0.959 11.014 603 3HD1 ILE 78 3HD1 ILE 78 -12.347 1.512 11.992 604 H ASP 79 H ASP 79 -9.943 -3.927 13.859 605 HA ASP 79 HA ASP 79 -8.625 -3.026 16.301 606 1HB ASP 79 1HB ASP 79 -9.212 -5.554 15.209 607 2HB ASP 79 2HB ASP 79 -7.459 -5.399 15.152 608 H LEU 80 H LEU 80 -6.619 -2.189 16.387 609 HA LEU 80 HA LEU 80 -5.322 -1.551 13.862 610 1HB LEU 80 1HB LEU 80 -5.701 -0.125 16.150 611 2HB LEU 80 2HB LEU 80 -4.045 -0.690 16.361 612 HG LEU 80 HG LEU 80 -4.191 1.566 15.368 613 1HD1 LEU 80 1HD1 LEU 80 -3.064 -0.522 13.509 614 2HD1 LEU 80 2HD1 LEU 80 -2.260 0.115 14.943 615 3HD1 LEU 80 3HD1 LEU 80 -2.601 1.179 13.578 616 1HD2 LEU 80 1HD2 LEU 80 -5.668 2.016 13.778 617 2HD2 LEU 80 2HD2 LEU 80 -6.165 0.324 13.747 618 3HD2 LEU 80 3HD2 LEU 80 -4.859 0.879 12.699 619 H ASP 81 H ASP 81 -4.858 -3.560 16.668 620 HA ASP 81 HA ASP 81 -2.099 -4.128 16.205 621 1HB ASP 81 1HB ASP 81 -4.047 -4.743 18.191 622 2HB ASP 81 2HB ASP 81 -3.342 -6.259 17.635 623 H GLU 82 H GLU 82 -5.073 -5.323 14.932 624 HA GLU 82 HA GLU 82 -3.999 -7.822 13.991 625 1HB GLU 82 1HB GLU 82 -6.127 -8.292 13.200 626 2HB GLU 82 2HB GLU 82 -6.467 -7.226 14.556 627 1HG GLU 82 1HG GLU 82 -6.480 -5.340 12.831 628 2HG GLU 82 2HG GLU 82 -6.582 -6.622 11.626 629 H TRP 83 H TRP 83 -4.425 -4.591 12.743 630 HA TRP 83 HA TRP 83 -4.205 -5.046 10.011 631 1HB TRP 83 1HB TRP 83 -3.424 -2.744 11.774 632 2HB TRP 83 2HB TRP 83 -3.061 -2.708 10.051 633 HD1 TRP 83 HD TRP 83 -6.310 -4.376 11.008 634 HE1 TRP 83 1HE TRP 83 -8.278 -2.865 10.323 635 HE3 TRP 83 3HE TRP 83 -3.704 -0.148 9.795 636 HZ2 TRP 83 2HZ TRP 83 -8.673 -0.229 9.392 637 HZ3 TRP 83 3HZ TRP 83 -4.952 1.824 9.015 638 HH2 TRP 83 HH TRP 83 -7.385 1.782 8.818 639 H SER 84 H SER 84 -1.694 -4.809 12.477 640 HA SER 84 HA SER 84 0.483 -4.891 10.630 641 1HB SER 84 1HB SER 84 1.880 -4.842 12.494 642 2HB SER 84 2HB SER 84 0.428 -4.049 13.104 643 HG SER 84 HG SER 84 1.196 -5.652 14.544 644 H VAL 85 H VAL 85 -1.518 -7.259 12.160 645 HA VAL 85 HA VAL 85 0.207 -9.398 11.090 646 HB VAL 85 HB VAL 85 -0.712 -10.897 12.786 647 1HG1 VAL 85 1HG1 VAL 85 0.186 -8.512 14.337 648 2HG1 VAL 85 2HG1 VAL 85 0.657 -10.205 14.501 649 3HG1 VAL 85 3HG1 VAL 85 1.279 -9.242 13.161 650 1HG2 VAL 85 1HG2 VAL 85 -2.541 -10.444 13.970 651 2HG2 VAL 85 2HG2 VAL 85 -1.875 -8.909 14.528 652 3HG2 VAL 85 3HG2 VAL 85 -2.733 -8.991 12.989 653 H ALA 86 H ALA 86 -1.690 -8.057 9.499 654 HA ALA 86 HA ALA 86 -3.731 -10.156 9.143 655 1HB ALA 86 1HB ALA 86 -5.173 -8.470 9.468 656 2HB ALA 86 2HB ALA 86 -3.952 -7.234 9.163 657 3HB ALA 86 3HB ALA 86 -4.766 -8.022 7.811 658 H THR 87 H THR 87 -4.576 -10.162 6.805 659 HA THR 87 HA THR 87 -2.241 -10.332 5.054 660 HB THR 87 HB THR 87 -3.736 -12.307 5.262 661 HG1 THR 87 1HG THR 87 -3.193 -12.736 3.262 662 1HG2 THR 87 1HG2 THR 87 -5.858 -11.055 5.495 663 2HG2 THR 87 2HG2 THR 87 -5.932 -12.286 4.233 664 3HG2 THR 87 3HG2 THR 87 -5.742 -10.587 3.799 665 H PHE 88 H PHE 88 -1.939 -9.073 3.308 666 HA PHE 88 HA PHE 88 -4.081 -7.171 2.615 667 1HB PHE 88 1HB PHE 88 -1.171 -6.781 3.061 668 2HB PHE 88 2HB PHE 88 -1.903 -5.865 1.748 669 HD1 PHE 88 1HD PHE 88 -3.111 -6.815 5.146 670 HD2 PHE 88 2HD PHE 88 -2.195 -3.687 2.409 671 HE1 PHE 88 1HE PHE 88 -3.934 -5.158 6.769 672 HE2 PHE 88 2HE PHE 88 -3.015 -2.026 4.027 673 HZ PHE 88 HZ PHE 88 -3.886 -2.760 6.211 674 H TYR 89 H TYR 89 -4.957 -8.274 0.905 675 HA TYR 89 HA TYR 89 -3.250 -9.317 -1.194 676 1HB TYR 89 1HB TYR 89 -6.256 -9.244 -0.880 677 2HB TYR 89 2HB TYR 89 -5.426 -9.978 -2.248 678 HD1 TYR 89 1HD TYR 89 -6.712 -10.513 1.016 679 HD2 TYR 89 2HD TYR 89 -3.711 -11.842 -1.693 680 HE1 TYR 89 1HE TYR 89 -6.517 -12.618 2.273 681 HE2 TYR 89 2HE TYR 89 -3.509 -13.951 -0.443 682 HH TYR 89 HH TYR 89 -5.766 -14.933 1.884 683 H LEU 90 H LEU 90 -2.355 -7.816 -2.471 684 HA LEU 90 HA LEU 90 -3.726 -5.379 -3.161 685 1HB LEU 90 1HB LEU 90 -1.098 -6.555 -4.044 686 2HB LEU 90 2HB LEU 90 -1.702 -4.990 -4.585 687 HG LEU 90 HG LEU 90 -0.134 -4.540 -2.883 688 1HD1 LEU 90 1HD1 LEU 90 -1.373 -3.222 -1.476 689 2HD1 LEU 90 2HD1 LEU 90 -2.626 -4.443 -1.253 690 3HD1 LEU 90 3HD1 LEU 90 -2.547 -3.526 -2.758 691 1HD2 LEU 90 1HD2 LEU 90 0.296 -5.831 -1.098 692 2HD2 LEU 90 2HD2 LEU 90 -0.631 -7.049 -1.975 693 3HD2 LEU 90 3HD2 LEU 90 -1.412 -6.072 -0.731 694 H PHE 91 H PHE 91 -5.294 -5.380 -4.625 695 HA PHE 91 HA PHE 91 -5.163 -7.266 -6.867 696 1HB PHE 91 1HB PHE 91 -7.325 -6.077 -5.301 697 2HB PHE 91 2HB PHE 91 -7.607 -5.981 -7.036 698 HD1 PHE 91 1HD PHE 91 -5.985 -8.597 -4.937 699 HD2 PHE 91 2HD PHE 91 -9.156 -7.590 -7.591 700 HE1 PHE 91 1HE PHE 91 -6.722 -10.945 -4.941 701 HE2 PHE 91 2HE PHE 91 -9.899 -9.935 -7.599 702 HZ PHE 91 HZ PHE 91 -8.683 -11.616 -6.273 703 H ASP 92 H ASP 92 -6.218 -6.338 -8.940 704 HA ASP 92 HA ASP 92 -5.029 -3.690 -9.453 705 1HB ASP 92 1HB ASP 92 -4.438 -6.121 -10.683 706 2HB ASP 92 2HB ASP 92 -5.481 -5.293 -11.836 707 H ASP 93 H ASP 93 -6.087 -3.240 -11.964 708 HA ASP 93 HA ASP 93 -8.793 -2.491 -11.266 709 1HB ASP 93 1HB ASP 93 -7.502 -2.015 -13.941 710 2HB ASP 93 2HB ASP 93 -8.737 -1.057 -13.128 711 H ALA 94 H ALA 94 -7.449 -5.225 -12.489 712 HA ALA 94 HA ALA 94 -9.747 -5.819 -14.229 713 1HB ALA 94 1HB ALA 94 -8.192 -6.565 -15.631 714 2HB ALA 94 2HB ALA 94 -6.930 -6.433 -14.406 715 3HB ALA 94 3HB ALA 94 -7.915 -7.892 -14.503 716 H GLY 95 H GLY 95 -8.263 -6.566 -11.228 717 1HA GLY 95 2HA GLY 95 -9.563 -7.686 -9.537 718 2HA GLY 95 1HA GLY 95 -10.269 -8.681 -10.802 719 H GLU 96 H GLU 96 -6.856 -8.041 -10.788 720 HA GLU 96 HA GLU 96 -6.370 -10.772 -9.794 721 1HB GLU 96 1HB GLU 96 -4.601 -11.044 -11.425 722 2HB GLU 96 2HB GLU 96 -6.099 -10.635 -12.248 723 1HG GLU 96 1HG GLU 96 -4.145 -8.493 -11.538 724 2HG GLU 96 2HG GLU 96 -3.889 -9.499 -12.963 725 H GLU 97 H GLU 97 -3.944 -11.048 -9.256 726 HA GLU 97 HA GLU 97 -3.278 -8.958 -7.365 727 1HB GLU 97 1HB GLU 97 -3.096 -11.608 -7.149 728 2HB GLU 97 2HB GLU 97 -1.490 -11.300 -7.794 729 1HG GLU 97 1HG GLU 97 -0.753 -10.540 -5.845 730 2HG GLU 97 2HG GLU 97 -2.147 -9.481 -5.645 731 H ASN 98 H ASN 98 -2.750 -7.301 -8.904 732 HA ASN 98 HA ASN 98 -0.074 -7.654 -10.085 733 1HB ASN 98 1HB ASN 98 -2.563 -6.523 -11.222 734 2HB ASN 98 2HB ASN 98 -1.085 -5.629 -11.564 735 1HD2 ASN 98 1HD2 ASN 98 -2.262 -8.976 -11.512 736 2HD2 ASN 98 2HD2 ASN 98 -1.473 -9.454 -12.973 737 H PHE 99 H PHE 99 1.226 -5.699 -10.222 738 HA PHE 99 HA PHE 99 0.547 -3.753 -8.117 739 1HB PHE 99 1HB PHE 99 3.091 -3.530 -7.878 740 2HB PHE 99 2HB PHE 99 2.348 -4.991 -7.236 741 HD1 PHE 99 1HD PHE 99 2.607 -7.131 -8.406 742 HD2 PHE 99 2HD PHE 99 4.603 -3.608 -9.717 743 HE1 PHE 99 1HE PHE 99 4.127 -8.504 -9.769 744 HE2 PHE 99 2HE PHE 99 6.126 -4.975 -11.083 745 HZ PHE 99 HZ PHE 99 5.889 -7.426 -11.111 746 H SER 100 H SER 100 -0.427 -2.970 -10.363 747 HA SER 100 HA SER 100 1.458 -1.627 -12.073 748 1HB SER 100 1HB SER 100 -0.781 -2.592 -12.808 749 2HB SER 100 2HB SER 100 -1.532 -1.208 -12.015 750 HG SER 100 HG SER 100 0.226 -1.227 -14.228 751 H SER 101 H SER 101 0.315 0.783 -12.624 752 HA SER 101 HA SER 101 1.432 2.501 -10.775 753 1HB SER 101 1HB SER 101 -0.344 2.760 -13.089 754 2HB SER 101 2HB SER 101 -0.573 4.034 -11.892 755 HG SER 101 HG SER 101 1.590 3.504 -13.533 756 H ARG 102 H ARG 102 -1.713 1.016 -10.773 757 HA ARG 102 HA ARG 102 -2.210 2.154 -8.123 758 1HB ARG 102 1HB ARG 102 -3.458 3.560 -9.701 759 2HB ARG 102 2HB ARG 102 -4.245 2.132 -10.359 760 1HG ARG 102 1HG ARG 102 -5.868 2.848 -8.940 761 2HG ARG 102 2HG ARG 102 -4.968 1.797 -7.846 762 1HD ARG 102 1HD ARG 102 -5.271 3.747 -6.609 763 2HD ARG 102 2HD ARG 102 -3.634 3.907 -7.244 764 HE ARG 102 HE ARG 102 -4.322 5.735 -8.428 765 1HH1 ARG 102 2HH1 ARG 102 -7.120 3.902 -7.463 766 2HH1 ARG 102 1HH1 ARG 102 -8.252 5.087 -8.025 767 1HH2 ARG 102 2HH2 ARG 102 -5.802 7.303 -9.172 768 2HH2 ARG 102 1HH2 ARG 102 -7.501 7.020 -8.998 769 H MET 103 H MET 103 -2.592 0.558 -6.746 770 HA MET 103 HA MET 103 -3.941 -1.865 -7.737 771 1HB MET 103 1HB MET 103 -2.540 -3.239 -6.345 772 2HB MET 103 2HB MET 103 -1.506 -2.226 -7.344 773 1HG MET 103 1HG MET 103 -1.247 -0.683 -5.423 774 2HG MET 103 2HG MET 103 -2.169 -1.818 -4.440 775 1HE MET 103 1HE MET 103 0.737 -1.592 -2.919 776 2HE MET 103 2HE MET 103 1.980 -1.543 -4.169 777 3HE MET 103 3HE MET 103 0.606 -0.440 -4.249 778 H TYR 104 H TYR 104 -5.647 -2.548 -6.584 779 HA TYR 104 HA TYR 104 -6.576 -0.923 -4.400 780 1HB TYR 104 1HB TYR 104 -7.725 -3.385 -5.725 781 2HB TYR 104 2HB TYR 104 -8.532 -2.500 -4.436 782 HD1 TYR 104 1HD TYR 104 -8.750 -3.007 -7.752 783 HD2 TYR 104 2HD TYR 104 -8.293 0.252 -5.055 784 HE1 TYR 104 1HE TYR 104 -9.743 -1.497 -9.419 785 HE2 TYR 104 2HE TYR 104 -9.286 1.771 -6.714 786 HH TYR 104 HH TYR 104 -10.556 0.562 -9.787 787 H CYS 105 H CYS 105 -7.174 -1.730 -2.310 788 HA CYS 105 HA CYS 105 -5.445 -3.941 -1.422 789 1HB CYS 105 1HB CYS 105 -5.655 -2.839 0.852 790 2HB CYS 105 2HB CYS 105 -4.740 -1.940 -0.351 791 HG CYS 105 HG CYS 105 -8.038 -1.265 0.184 792 H SER 106 H SER 106 -6.794 -5.676 -1.585 793 HA SER 106 HA SER 106 -9.409 -5.515 -0.258 794 1HB SER 106 1HB SER 106 -9.392 -7.962 -1.462 795 2HB SER 106 2HB SER 106 -9.992 -6.487 -2.222 796 HG SER 106 HG SER 106 -8.459 -6.709 -3.624 797 H PHE 107 H PHE 107 -9.951 -6.830 1.427 798 HA PHE 107 HA PHE 107 -7.769 -8.002 2.900 799 1HB PHE 107 1HB PHE 107 -9.417 -8.373 4.660 800 2HB PHE 107 2HB PHE 107 -9.551 -6.730 4.041 801 HD1 PHE 107 1HD PHE 107 -11.154 -10.003 4.266 802 HD2 PHE 107 2HD PHE 107 -11.485 -6.032 2.768 803 HE1 PHE 107 1HE PHE 107 -13.550 -10.366 3.840 804 HE2 PHE 107 2HE PHE 107 -13.881 -6.389 2.341 805 HZ PHE 107 HZ PHE 107 -14.917 -8.558 2.878 806 H TYR 108 H TYR 108 -10.578 -9.131 1.109 807 HA TYR 108 HA TYR 108 -10.363 -11.856 1.887 808 1HB TYR 108 1HB TYR 108 -11.972 -12.302 0.138 809 2HB TYR 108 2HB TYR 108 -12.437 -10.826 0.976 810 HD1 TYR 108 1HD TYR 108 -11.938 -8.605 -0.113 811 HD2 TYR 108 2HD TYR 108 -11.557 -12.303 -2.184 812 HE1 TYR 108 1HE TYR 108 -12.005 -7.404 -2.259 813 HE2 TYR 108 2HE TYR 108 -11.621 -11.112 -4.335 814 HH TYR 108 HH TYR 108 -12.767 -8.346 -4.871 815 HA PRO 109 HA PRO 109 -7.141 -13.366 -0.682 816 1HB PRO 109 1HB PRO 109 -8.032 -15.873 -1.223 817 2HB PRO 109 2HB PRO 109 -7.421 -15.392 0.364 818 1HG PRO 109 1HG PRO 109 -10.251 -15.637 -0.581 819 2HG PRO 109 2HG PRO 109 -9.536 -16.153 0.958 820 1HD PRO 109 1HD PRO 109 -10.963 -13.866 0.709 821 2HD PRO 109 2HD PRO 109 -9.613 -14.030 1.851 822 HA PRO 110 HA PRO 110 -8.067 -12.990 -4.964 823 1HB PRO 110 1HB PRO 110 -6.386 -14.792 -6.103 824 2HB PRO 110 2HB PRO 110 -5.827 -13.276 -5.386 825 1HG PRO 110 1HG PRO 110 -5.826 -16.034 -4.223 826 2HG PRO 110 2HG PRO 110 -4.560 -14.794 -4.162 827 1HD PRO 110 1HD PRO 110 -6.237 -15.267 -2.090 828 2HD PRO 110 2HD PRO 110 -5.585 -13.654 -2.441 829 H ASP 111 H ASP 111 -7.726 -16.429 -4.073 830 HA ASP 111 HA ASP 111 -10.334 -17.163 -4.738 831 1HB ASP 111 1HB ASP 111 -8.637 -16.834 -7.026 832 2HB ASP 111 2HB ASP 111 -9.044 -18.539 -6.852 833 H GLU 112 H GLU 112 -6.958 -18.089 -4.543 834 HA GLU 112 HA GLU 112 -7.144 -20.832 -4.317 835 1HB GLU 112 1HB GLU 112 -5.195 -18.832 -3.752 836 2HB GLU 112 2HB GLU 112 -5.256 -19.930 -2.381 837 1HG GLU 112 1HG GLU 112 -3.787 -21.112 -3.587 838 2HG GLU 112 2HG GLU 112 -5.230 -21.702 -4.408 Start of MODEL 2 1 1H ALA 1 1H ALA 1 16.453 10.293 -5.251 2 HA ALA 1 HA ALA 1 14.275 9.126 -5.606 3 1HB ALA 1 1HB ALA 1 14.670 10.148 -8.143 4 2HB ALA 1 2HB ALA 1 14.906 8.411 -8.346 5 3HB ALA 1 3HB ALA 1 13.403 9.022 -7.653 6 HA PRO 2 HA PRO 2 16.436 5.359 -4.980 7 1HB PRO 2 1HB PRO 2 14.606 3.504 -5.739 8 2HB PRO 2 2HB PRO 2 14.453 4.453 -4.255 9 1HG PRO 2 1HG PRO 2 13.141 4.869 -6.914 10 2HG PRO 2 2HG PRO 2 12.440 4.990 -5.289 11 1HD PRO 2 1HD PRO 2 13.193 7.164 -6.717 12 2HD PRO 2 2HD PRO 2 13.287 7.106 -4.946 13 H ILE 3 H ILE 3 17.845 6.079 -6.883 14 HA ILE 3 HA ILE 3 17.394 4.635 -9.358 15 HB ILE 3 HB ILE 3 19.803 6.281 -8.589 16 1HG1 ILE 3 1HG1 ILE 3 17.327 7.153 -10.094 17 2HG1 ILE 3 2HG1 ILE 3 17.697 7.586 -8.428 18 1HG2 ILE 3 1HG2 ILE 3 18.753 5.215 -11.195 19 2HG2 ILE 3 2HG2 ILE 3 19.931 6.523 -11.109 20 3HG2 ILE 3 3HG2 ILE 3 20.327 4.936 -10.452 21 1HD1 ILE 3 1HD1 ILE 3 18.312 9.435 -9.732 22 2HD1 ILE 3 2HD1 ILE 3 19.823 8.623 -9.323 23 3HD1 ILE 3 3HD1 ILE 3 19.123 8.425 -10.929 24 H LYS 4 H LYS 4 18.993 3.204 -10.277 25 HA LYS 4 HA LYS 4 19.690 1.063 -8.709 26 1HB LYS 4 1HB LYS 4 19.793 1.501 -11.332 27 2HB LYS 4 2HB LYS 4 21.500 1.734 -10.980 28 1HG LYS 4 1HG LYS 4 19.879 -0.728 -10.363 29 2HG LYS 4 2HG LYS 4 21.065 -0.550 -11.658 30 1HD LYS 4 1HD LYS 4 22.615 0.144 -9.612 31 2HD LYS 4 2HD LYS 4 21.468 -0.870 -8.733 32 1HE LYS 4 1HE LYS 4 22.246 -2.161 -11.173 33 2HE LYS 4 2HE LYS 4 23.681 -1.687 -10.265 34 1HZ LYS 4 1HZ LYS 4 21.840 -3.786 -9.742 35 2HZ LYS 4 2HZ LYS 4 21.955 -2.752 -8.408 36 3HZ LYS 4 3HZ LYS 4 23.346 -3.484 -9.033 37 H GLY 5 H GLY 5 20.792 1.294 -6.844 38 1HA GLY 5 2HA GLY 5 22.476 1.859 -5.378 39 2HA GLY 5 1HA GLY 5 23.524 1.417 -6.718 40 H VAL 6 H VAL 6 24.594 2.984 -7.836 41 HA VAL 6 HA VAL 6 24.074 5.774 -7.043 42 HB VAL 6 HB VAL 6 26.060 5.248 -5.893 43 1HG1 VAL 6 1HG1 VAL 6 27.127 3.991 -8.419 44 2HG1 VAL 6 2HG1 VAL 6 27.955 4.089 -6.864 45 3HG1 VAL 6 3HG1 VAL 6 26.498 3.108 -7.028 46 1HG2 VAL 6 1HG2 VAL 6 26.021 7.198 -7.761 47 2HG2 VAL 6 2HG2 VAL 6 27.348 6.947 -6.627 48 3HG2 VAL 6 3HG2 VAL 6 27.452 6.300 -8.264 49 H THR 7 H THR 7 22.940 6.256 -8.915 50 HA THR 7 HA THR 7 24.599 6.648 -11.275 51 HB THR 7 HB THR 7 21.926 5.540 -11.901 52 HG1 THR 7 1HG THR 7 22.780 3.379 -11.685 53 1HG2 THR 7 1HG2 THR 7 23.168 6.034 -13.794 54 2HG2 THR 7 2HG2 THR 7 23.499 4.314 -13.584 55 3HG2 THR 7 3HG2 THR 7 24.684 5.511 -13.061 56 H PHE 8 H PHE 8 23.490 8.005 -12.918 57 HA PHE 8 HA PHE 8 21.095 9.378 -12.371 58 1HB PHE 8 1HB PHE 8 21.866 11.516 -11.621 59 2HB PHE 8 2HB PHE 8 22.550 10.308 -10.537 60 HD1 PHE 8 1HD PHE 8 24.931 9.761 -10.630 61 HD2 PHE 8 2HD PHE 8 23.253 12.831 -13.054 62 HE1 PHE 8 1HE PHE 8 27.186 10.643 -11.067 63 HE2 PHE 8 2HE PHE 8 25.505 13.718 -13.495 64 HZ PHE 8 HZ PHE 8 27.475 12.623 -12.502 65 H GLY 9 H GLY 9 20.479 10.702 -14.068 66 1HA GLY 9 2HA GLY 9 20.444 11.379 -16.263 67 2HA GLY 9 1HA GLY 9 22.085 11.928 -15.954 68 H GLU 10 H GLU 10 20.401 8.822 -16.462 69 HA GLU 10 HA GLU 10 22.678 7.957 -18.103 70 1HB GLU 10 1HB GLU 10 20.690 6.544 -16.405 71 2HB GLU 10 2HB GLU 10 21.258 5.703 -17.840 72 1HG GLU 10 1HG GLU 10 23.133 6.891 -15.821 73 2HG GLU 10 2HG GLU 10 22.498 5.252 -15.685 74 H ASP 11 H ASP 11 19.121 7.682 -18.067 75 HA ASP 11 HA ASP 11 19.016 8.322 -20.888 76 1HB ASP 11 1HB ASP 11 19.276 5.676 -20.297 77 2HB ASP 11 2HB ASP 11 17.523 5.849 -20.296 78 H THR 12 H THR 12 16.953 6.764 -18.426 79 HA THR 12 HA THR 12 15.305 9.006 -18.006 80 HB THR 12 HB THR 12 14.610 8.516 -20.350 81 HG1 THR 12 1HG THR 12 12.630 9.106 -19.813 82 1HG2 THR 12 1HG2 THR 12 12.915 6.272 -19.764 83 2HG2 THR 12 2HG2 THR 12 14.597 5.858 -19.435 84 3HG2 THR 12 3HG2 THR 12 14.130 6.449 -21.029 85 H VAL 13 H VAL 13 13.133 8.284 -16.972 86 HA VAL 13 HA VAL 13 13.802 6.252 -15.004 87 HB VAL 13 HB VAL 13 11.203 7.728 -14.982 88 1HG1 VAL 13 1HG1 VAL 13 13.108 6.642 -12.928 89 2HG1 VAL 13 2HG1 VAL 13 11.796 7.744 -12.506 90 3HG1 VAL 13 3HG1 VAL 13 11.434 6.177 -13.230 91 1HG2 VAL 13 1HG2 VAL 13 13.914 8.915 -14.613 92 2HG2 VAL 13 2HG2 VAL 13 12.474 9.607 -15.360 93 3HG2 VAL 13 3HG2 VAL 13 12.582 9.480 -13.604 94 H TRP 14 H TRP 14 12.091 4.707 -14.310 95 HA TRP 14 HA TRP 14 10.725 2.940 -14.735 96 1HB TRP 14 1HB TRP 14 9.638 4.895 -16.764 97 2HB TRP 14 2HB TRP 14 8.924 3.308 -16.486 98 HD1 TRP 14 HD TRP 14 9.820 6.431 -14.347 99 HE1 TRP 14 1HE TRP 14 7.972 6.729 -12.581 100 HE3 TRP 14 3HE TRP 14 6.967 2.337 -15.460 101 HZ2 TRP 14 2HZ TRP 14 5.616 5.404 -11.767 102 HZ3 TRP 14 3HZ TRP 14 4.932 1.924 -14.140 103 HH2 TRP 14 HH TRP 14 4.273 3.426 -12.332 104 H GLU 15 H GLU 15 13.278 3.514 -16.347 105 HA GLU 15 HA GLU 15 12.879 1.309 -18.237 106 1HB GLU 15 1HB GLU 15 13.899 4.052 -18.865 107 2HB GLU 15 2HB GLU 15 14.534 2.673 -19.751 108 1HG GLU 15 1HG GLU 15 11.619 2.733 -19.578 109 2HG GLU 15 2HG GLU 15 12.322 4.106 -20.432 110 H VAL 16 H VAL 16 15.099 3.340 -16.407 111 HA VAL 16 HA VAL 16 17.009 1.095 -16.373 112 HB VAL 16 HB VAL 16 17.955 3.913 -16.035 113 1HG1 VAL 16 1HG1 VAL 16 19.521 1.919 -17.518 114 2HG1 VAL 16 2HG1 VAL 16 20.012 3.025 -16.234 115 3HG1 VAL 16 3HG1 VAL 16 19.199 1.512 -15.833 116 1HG2 VAL 16 1HG2 VAL 16 17.465 2.539 -18.674 117 2HG2 VAL 16 2HG2 VAL 16 16.706 4.021 -18.095 118 3HG2 VAL 16 3HG2 VAL 16 18.429 4.001 -18.467 119 H GLN 17 H GLN 17 15.550 3.776 -14.636 120 HA GLN 17 HA GLN 17 16.912 3.732 -12.250 121 1HB GLN 17 1HB GLN 17 15.332 5.402 -12.324 122 2HB GLN 17 2HB GLN 17 14.096 4.352 -13.005 123 1HG GLN 17 1HG GLN 17 13.660 3.359 -10.891 124 2HG GLN 17 2HG GLN 17 15.065 4.142 -10.168 125 1HE2 GLN 17 1HE2 GLN 17 11.770 4.459 -11.074 126 2HE2 GLN 17 2HE2 GLN 17 11.516 6.044 -10.435 127 H GLY 18 H GLY 18 14.236 1.628 -13.256 128 1HA GLY 18 2HA GLY 18 13.859 -0.576 -12.611 129 2HA GLY 18 1HA GLY 18 15.179 -0.437 -11.458 130 H TYR 19 H TYR 19 12.387 1.704 -11.698 131 HA TYR 19 HA TYR 19 11.104 0.487 -9.406 132 1HB TYR 19 1HB TYR 19 12.624 3.047 -9.245 133 2HB TYR 19 2HB TYR 19 11.105 2.933 -8.363 134 HD1 TYR 19 1HD TYR 19 14.588 2.062 -8.402 135 HD2 TYR 19 2HD TYR 19 10.831 1.068 -6.671 136 HE1 TYR 19 1HE TYR 19 15.747 0.894 -6.574 137 HE2 TYR 19 2HE TYR 19 11.979 -0.102 -4.838 138 HH TYR 19 HH TYR 19 13.941 -0.849 -4.073 139 H LYS 20 H LYS 20 9.049 1.588 -8.860 140 HA LYS 20 HA LYS 20 7.964 3.205 -11.054 141 1HB LYS 20 1HB LYS 20 6.831 0.625 -9.986 142 2HB LYS 20 2HB LYS 20 5.831 1.803 -10.825 143 1HG LYS 20 1HG LYS 20 6.406 0.350 -12.515 144 2HG LYS 20 2HG LYS 20 7.615 1.624 -12.692 145 1HD LYS 20 1HD LYS 20 9.293 0.220 -12.240 146 2HD LYS 20 2HD LYS 20 8.458 -0.445 -10.835 147 1HE LYS 20 1HE LYS 20 8.790 -2.226 -12.385 148 2HE LYS 20 2HE LYS 20 7.077 -1.813 -12.409 149 1HZ LYS 20 1HZ LYS 20 9.062 -1.576 -14.498 150 2HZ LYS 20 2HZ LYS 20 8.037 -0.239 -14.349 151 3HZ LYS 20 3HZ LYS 20 7.386 -1.778 -14.614 152 H ASN 21 H ASN 21 5.470 3.649 -10.319 153 HA ASN 21 HA ASN 21 5.465 4.387 -7.483 154 1HB ASN 21 1HB ASN 21 4.619 6.341 -9.622 155 2HB ASN 21 2HB ASN 21 4.854 6.650 -7.904 156 1HD2 ASN 21 1HD2 ASN 21 6.167 7.065 -10.869 157 2HD2 ASN 21 2HD2 ASN 21 7.827 7.258 -10.433 158 H VAL 22 H VAL 22 3.778 3.267 -6.741 159 HA VAL 22 HA VAL 22 1.255 3.388 -8.263 160 HB VAL 22 HB VAL 22 2.269 1.105 -8.125 161 1HG1 VAL 22 1HG1 VAL 22 2.900 0.162 -6.201 162 2HG1 VAL 22 2HG1 VAL 22 2.777 1.779 -5.506 163 3HG1 VAL 22 3HG1 VAL 22 1.422 0.657 -5.376 164 1HG2 VAL 22 1HG2 VAL 22 -0.306 1.183 -6.587 165 2HG2 VAL 22 2HG2 VAL 22 -0.230 1.661 -8.283 166 3HG2 VAL 22 3HG2 VAL 22 0.219 0.023 -7.807 167 H ARG 23 H ARG 23 -0.697 3.511 -7.049 168 HA ARG 23 HA ARG 23 -0.338 4.490 -4.293 169 1HB ARG 23 1HB ARG 23 -1.827 5.656 -6.587 170 2HB ARG 23 2HB ARG 23 -2.569 5.787 -4.998 171 1HG ARG 23 1HG ARG 23 0.122 6.530 -4.679 172 2HG ARG 23 2HG ARG 23 -0.456 7.333 -6.141 173 1HD ARG 23 1HD ARG 23 -2.549 7.707 -4.435 174 2HD ARG 23 2HD ARG 23 -1.176 7.770 -3.332 175 HE ARG 23 HE ARG 23 -0.543 9.764 -4.276 176 1HH1 ARG 23 2HH1 ARG 23 -2.952 8.242 -6.276 177 2HH1 ARG 23 1HH1 ARG 23 -3.170 9.628 -7.293 178 1HH2 ARG 23 2HH2 ARG 23 -0.821 11.594 -5.609 179 2HH2 ARG 23 1HH2 ARG 23 -1.957 11.533 -6.914 180 H ILE 24 H ILE 24 -1.666 3.676 -2.764 181 HA ILE 24 HA ILE 24 -3.558 1.606 -3.622 182 HB ILE 24 HB ILE 24 -2.797 2.031 -0.762 183 1HG1 ILE 24 1HG1 ILE 24 -0.657 2.056 -1.907 184 2HG1 ILE 24 2HG1 ILE 24 -0.862 0.508 -1.095 185 1HG2 ILE 24 1HG2 ILE 24 -2.826 -0.676 -1.486 186 2HG2 ILE 24 2HG2 ILE 24 -4.045 0.206 -0.567 187 3HG2 ILE 24 3HG2 ILE 24 -4.192 0.066 -2.318 188 1HD1 ILE 24 1HD1 ILE 24 -1.334 1.007 -4.024 189 2HD1 ILE 24 2HD1 ILE 24 0.111 0.275 -3.326 190 3HD1 ILE 24 3HD1 ILE 24 -1.445 -0.544 -3.192 191 H THR 25 H THR 25 -5.668 1.967 -3.542 192 HA THR 25 HA THR 25 -6.889 3.487 -1.438 193 HB THR 25 HB THR 25 -6.933 4.610 -4.245 194 HG1 THR 25 1HG THR 25 -5.399 5.819 -3.449 195 1HG2 THR 25 1HG2 THR 25 -9.127 4.916 -3.503 196 2HG2 THR 25 2HG2 THR 25 -8.328 6.421 -3.048 197 3HG2 THR 25 3HG2 THR 25 -8.627 5.178 -1.833 198 H PHE 26 H PHE 26 -7.935 1.446 -1.202 199 HA PHE 26 HA PHE 26 -10.038 0.972 -3.212 200 1HB PHE 26 1HB PHE 26 -8.429 -0.862 -3.217 201 2HB PHE 26 2HB PHE 26 -8.618 -1.059 -1.478 202 HD1 PHE 26 1HD PHE 26 -9.512 -3.180 -1.214 203 HD2 PHE 26 2HD PHE 26 -11.211 -0.540 -4.089 204 HE1 PHE 26 1HE PHE 26 -11.343 -4.779 -1.595 205 HE2 PHE 26 2HE PHE 26 -13.045 -2.134 -4.474 206 HZ PHE 26 HZ PHE 26 -13.113 -4.256 -3.226 207 H GLU 27 H GLU 27 -9.500 -0.312 0.054 208 HA GLU 27 HA GLU 27 -11.431 1.261 1.357 209 1HB GLU 27 1HB GLU 27 -13.301 -0.223 1.531 210 2HB GLU 27 2HB GLU 27 -12.941 -0.018 -0.177 211 1HG GLU 27 1HG GLU 27 -11.501 -2.196 0.241 212 2HG GLU 27 2HG GLU 27 -12.661 -2.409 1.551 213 H LEU 28 H LEU 28 -11.106 1.088 3.489 214 HA LEU 28 HA LEU 28 -10.239 -1.422 4.662 215 1HB LEU 28 1HB LEU 28 -8.580 1.083 4.904 216 2HB LEU 28 2HB LEU 28 -8.284 -0.441 5.738 217 HG LEU 28 HG LEU 28 -8.196 -0.126 2.741 218 1HD1 LEU 28 1HD1 LEU 28 -6.371 1.126 3.250 219 2HD1 LEU 28 2HD1 LEU 28 -5.641 -0.475 3.375 220 3HD1 LEU 28 3HD1 LEU 28 -6.156 0.376 4.832 221 1HD2 LEU 28 1HD2 LEU 28 -6.612 -2.247 3.777 222 2HD2 LEU 28 2HD2 LEU 28 -8.012 -2.336 2.710 223 3HD2 LEU 28 3HD2 LEU 28 -8.233 -2.378 4.459 224 H ASP 29 H ASP 29 -10.940 2.013 5.148 225 HA ASP 29 HA ASP 29 -12.416 1.294 7.578 226 1HB ASP 29 1HB ASP 29 -9.980 2.775 7.523 227 2HB ASP 29 2HB ASP 29 -11.279 3.876 7.974 228 H GLU 30 H GLU 30 -13.921 3.037 8.269 229 HA GLU 30 HA GLU 30 -14.964 4.468 5.914 230 1HB GLU 30 1HB GLU 30 -17.179 4.335 7.014 231 2HB GLU 30 2HB GLU 30 -16.500 2.753 6.655 232 1HG GLU 30 1HG GLU 30 -16.365 2.173 8.815 233 2HG GLU 30 2HG GLU 30 -15.875 3.787 9.327 234 H ARG 31 H ARG 31 -13.776 4.771 9.115 235 HA ARG 31 HA ARG 31 -14.738 7.542 9.298 236 1HB ARG 31 1HB ARG 31 -14.615 5.491 11.201 237 2HB ARG 31 2HB ARG 31 -13.320 6.598 11.638 238 1HG ARG 31 1HG ARG 31 -15.203 7.318 12.835 239 2HG ARG 31 2HG ARG 31 -15.040 8.450 11.491 240 1HD ARG 31 1HD ARG 31 -16.681 6.895 10.262 241 2HD ARG 31 2HD ARG 31 -17.027 6.234 11.859 242 HE ARG 31 HE ARG 31 -17.219 9.076 11.825 243 1HH1 ARG 31 2HH1 ARG 31 -18.903 6.149 10.979 244 2HH1 ARG 31 1HH1 ARG 31 -20.477 6.863 11.107 245 1HH2 ARG 31 2HH2 ARG 31 -19.285 10.028 11.997 246 2HH2 ARG 31 1HH2 ARG 31 -20.693 9.069 11.685 247 H VAL 32 H VAL 32 -11.917 5.579 8.922 248 HA VAL 32 HA VAL 32 -10.268 8.017 8.855 249 HB VAL 32 HB VAL 32 -8.350 6.664 9.691 250 1HG1 VAL 32 1HG1 VAL 32 -9.860 6.323 12.032 251 2HG1 VAL 32 2HG1 VAL 32 -8.875 7.714 11.578 252 3HG1 VAL 32 3HG1 VAL 32 -10.591 7.677 11.171 253 1HG2 VAL 32 1HG2 VAL 32 -8.785 4.548 10.818 254 2HG2 VAL 32 2HG2 VAL 32 -10.482 4.630 10.345 255 3HG2 VAL 32 3HG2 VAL 32 -9.232 4.450 9.115 256 H ASP 33 H ASP 33 -11.541 6.856 6.638 257 HA ASP 33 HA ASP 33 -9.705 5.159 5.228 258 1HB ASP 33 1HB ASP 33 -12.354 5.614 4.965 259 2HB ASP 33 2HB ASP 33 -11.739 6.673 3.699 260 H LYS 34 H LYS 34 -10.326 8.588 5.438 261 HA LYS 34 HA LYS 34 -8.750 9.279 3.139 262 1HB LYS 34 1HB LYS 34 -9.434 11.424 3.502 263 2HB LYS 34 2HB LYS 34 -10.676 10.595 4.431 264 1HG LYS 34 1HG LYS 34 -8.141 11.740 5.583 265 2HG LYS 34 2HG LYS 34 -9.719 12.531 5.609 266 1HD LYS 34 1HD LYS 34 -9.434 9.766 6.706 267 2HD LYS 34 2HD LYS 34 -8.903 11.145 7.671 268 1HE LYS 34 1HE LYS 34 -11.440 11.794 6.612 269 2HE LYS 34 2HE LYS 34 -11.549 10.153 7.248 270 1HZ LYS 34 1HZ LYS 34 -11.157 10.847 9.365 271 2HZ LYS 34 2HZ LYS 34 -11.929 12.231 8.775 272 3HZ LYS 34 3HZ LYS 34 -10.242 12.190 8.896 273 H VAL 35 H VAL 35 -8.063 8.427 6.352 274 HA VAL 35 HA VAL 35 -5.637 9.949 6.624 275 HB VAL 35 HB VAL 35 -6.441 7.529 8.235 276 1HG1 VAL 35 1HG1 VAL 35 -4.537 9.813 8.661 277 2HG1 VAL 35 2HG1 VAL 35 -5.140 8.834 10.000 278 3HG1 VAL 35 3HG1 VAL 35 -4.208 8.082 8.705 279 1HG2 VAL 35 1HG2 VAL 35 -8.306 8.999 8.349 280 2HG2 VAL 35 2HG2 VAL 35 -7.391 9.216 9.841 281 3HG2 VAL 35 3HG2 VAL 35 -7.266 10.409 8.548 282 H LEU 36 H LEU 36 -6.453 7.311 4.795 283 HA LEU 36 HA LEU 36 -3.677 6.320 4.796 284 1HB LEU 36 1HB LEU 36 -4.389 4.147 4.428 285 2HB LEU 36 2HB LEU 36 -5.548 4.760 5.605 286 HG LEU 36 HG LEU 36 -6.823 5.294 3.256 287 1HD1 LEU 36 1HD1 LEU 36 -6.591 2.856 2.221 288 2HD1 LEU 36 2HD1 LEU 36 -4.944 3.047 2.821 289 3HD1 LEU 36 3HD1 LEU 36 -5.606 4.214 1.676 290 1HD2 LEU 36 1HD2 LEU 36 -6.939 2.824 4.979 291 2HD2 LEU 36 2HD2 LEU 36 -8.156 3.261 3.780 292 3HD2 LEU 36 3HD2 LEU 36 -7.874 4.307 5.173 293 H ASN 37 H ASN 37 -5.797 8.142 3.118 294 HA ASN 37 HA ASN 37 -4.717 7.301 0.508 295 1HB ASN 37 1HB ASN 37 -6.711 7.780 -0.516 296 2HB ASN 37 2HB ASN 37 -7.318 7.344 1.079 297 1HD2 ASN 37 1HD2 ASN 37 -8.141 9.258 -1.163 298 2HD2 ASN 37 2HD2 ASN 37 -8.495 10.726 -0.324 299 H GLU 38 H GLU 38 -4.799 9.753 2.856 300 HA GLU 38 HA GLU 38 -3.735 11.719 0.938 301 1HB GLU 38 1HB GLU 38 -5.125 12.111 3.588 302 2HB GLU 38 2HB GLU 38 -4.296 13.405 2.734 303 1HG GLU 38 1HG GLU 38 -6.151 12.012 1.011 304 2HG GLU 38 2HG GLU 38 -6.944 12.650 2.451 305 H LYS 39 H LYS 39 -3.376 10.611 4.304 306 HA LYS 39 HA LYS 39 -1.045 11.906 4.976 307 1HB LYS 39 1HB LYS 39 -1.684 9.058 5.750 308 2HB LYS 39 2HB LYS 39 -0.700 10.207 6.646 309 1HG LYS 39 1HG LYS 39 -3.675 10.253 6.232 310 2HG LYS 39 2HG LYS 39 -2.786 10.079 7.747 311 1HD LYS 39 1HD LYS 39 -3.066 12.285 7.982 312 2HD LYS 39 2HD LYS 39 -1.831 12.454 6.733 313 1HE LYS 39 1HE LYS 39 -3.322 13.094 5.168 314 2HE LYS 39 2HE LYS 39 -4.558 11.976 5.742 315 1HZ LYS 39 1HZ LYS 39 -3.888 14.647 6.838 316 2HZ LYS 39 2HZ LYS 39 -4.880 13.543 7.649 317 3HZ LYS 39 3HZ LYS 39 -5.348 14.151 6.141 318 H CYS 40 H CYS 40 -1.376 8.772 3.336 319 HA CYS 40 HA CYS 40 0.878 9.113 1.714 320 1HB CYS 40 1HB CYS 40 2.234 8.919 3.687 321 2HB CYS 40 2HB CYS 40 1.349 7.496 4.222 322 HG CYS 40 HG CYS 40 3.522 7.692 1.590 323 H SER 41 H SER 41 -0.488 8.262 0.170 324 HA SER 41 HA SER 41 -1.268 5.444 0.516 325 1HB SER 41 1HB SER 41 -3.288 6.097 -0.197 326 2HB SER 41 2HB SER 41 -2.695 7.735 -0.469 327 HG SER 41 HG SER 41 -3.439 6.030 -2.288 328 H VAL 42 H VAL 42 1.047 7.302 -0.887 329 HA VAL 42 HA VAL 42 1.275 5.660 -3.307 330 HB VAL 42 HB VAL 42 1.476 7.997 -3.769 331 1HG1 VAL 42 1HG1 VAL 42 3.680 9.042 -2.609 332 2HG1 VAL 42 2HG1 VAL 42 2.044 9.235 -1.974 333 3HG1 VAL 42 3HG1 VAL 42 3.105 7.987 -1.318 334 1HG2 VAL 42 1HG2 VAL 42 4.236 6.780 -3.761 335 2HG2 VAL 42 2HG2 VAL 42 2.998 6.493 -4.983 336 3HG2 VAL 42 3HG2 VAL 42 3.681 8.106 -4.782 337 H TYR 43 H TYR 43 2.991 4.326 -3.691 338 HA TYR 43 HA TYR 43 5.199 4.237 -1.793 339 1HB TYR 43 1HB TYR 43 3.625 1.733 -2.395 340 2HB TYR 43 2HB TYR 43 4.928 1.931 -1.229 341 HD1 TYR 43 1HD TYR 43 4.502 2.740 0.967 342 HD2 TYR 43 2HD TYR 43 1.403 2.766 -1.947 343 HE1 TYR 43 1HE TYR 43 2.858 3.235 2.729 344 HE2 TYR 43 2HE TYR 43 -0.250 3.262 -0.194 345 HH TYR 43 HH TYR 43 0.477 3.027 3.135 346 H THR 44 H THR 44 7.071 3.335 -2.617 347 HA THR 44 HA THR 44 7.161 3.131 -5.509 348 HB THR 44 HB THR 44 9.636 2.590 -4.003 349 HG1 THR 44 1HG THR 44 9.818 4.649 -3.179 350 1HG2 THR 44 1HG2 THR 44 10.404 4.452 -5.570 351 2HG2 THR 44 2HG2 THR 44 8.792 4.366 -6.281 352 3HG2 THR 44 3HG2 THR 44 9.851 2.957 -6.323 353 H VAL 45 H VAL 45 8.004 1.355 -6.658 354 HA VAL 45 HA VAL 45 8.329 -1.157 -5.191 355 HB VAL 45 HB VAL 45 6.030 -1.293 -5.783 356 1HG1 VAL 45 1HG1 VAL 45 5.208 -0.057 -7.433 357 2HG1 VAL 45 2HG1 VAL 45 6.834 0.283 -8.028 358 3HG1 VAL 45 3HG1 VAL 45 5.966 -1.144 -8.596 359 1HG2 VAL 45 1HG2 VAL 45 7.367 -2.790 -8.013 360 2HG2 VAL 45 2HG2 VAL 45 7.606 -3.244 -6.326 361 3HG2 VAL 45 3HG2 VAL 45 5.988 -3.274 -7.026 362 H GLU 46 H GLU 46 10.150 -2.088 -5.828 363 HA GLU 46 HA GLU 46 11.703 -1.190 -7.983 364 1HB GLU 46 1HB GLU 46 12.095 -2.865 -5.827 365 2HB GLU 46 2HB GLU 46 12.217 -3.961 -7.196 366 1HG GLU 46 1HG GLU 46 13.699 -1.555 -7.708 367 2HG GLU 46 2HG GLU 46 14.194 -2.274 -6.177 368 H SER 47 H SER 47 12.617 -3.336 -9.378 369 HA SER 47 HA SER 47 10.303 -3.976 -11.065 370 1HB SER 47 1HB SER 47 11.649 -3.722 -12.862 371 2HB SER 47 2HB SER 47 12.748 -2.920 -11.739 372 HG SER 47 HG SER 47 12.857 -5.503 -12.810 373 H GLY 48 H GLY 48 12.625 -5.382 -8.964 374 1HA GLY 48 2HA GLY 48 11.930 -8.081 -9.933 375 2HA GLY 48 1HA GLY 48 13.385 -7.686 -9.029 376 H THR 49 H THR 49 10.683 -6.064 -7.832 377 HA THR 49 HA THR 49 10.765 -7.467 -5.363 378 HB THR 49 HB THR 49 8.398 -5.782 -5.994 379 HG1 THR 49 1HG THR 49 9.717 -4.345 -6.869 380 1HG2 THR 49 1HG2 THR 49 10.267 -6.209 -3.688 381 2HG2 THR 49 2HG2 THR 49 8.515 -6.402 -3.751 382 3HG2 THR 49 3HG2 THR 49 9.226 -4.788 -3.751 383 H GLU 50 H GLU 50 8.678 -8.264 -4.319 384 HA GLU 50 HA GLU 50 7.221 -9.946 -6.252 385 1HB GLU 50 1HB GLU 50 8.487 -10.559 -3.656 386 2HB GLU 50 2HB GLU 50 6.895 -11.263 -3.901 387 1HG GLU 50 1HG GLU 50 8.457 -11.651 -6.255 388 2HG GLU 50 2HG GLU 50 9.376 -12.188 -4.850 389 H VAL 51 H VAL 51 5.009 -10.444 -5.752 390 HA VAL 51 HA VAL 51 3.498 -8.211 -4.967 391 HB VAL 51 HB VAL 51 2.484 -11.051 -5.020 392 1HG1 VAL 51 1HG1 VAL 51 0.412 -9.839 -5.847 393 2HG1 VAL 51 2HG1 VAL 51 0.835 -9.609 -4.149 394 3HG1 VAL 51 3HG1 VAL 51 1.201 -8.350 -5.329 395 1HG2 VAL 51 1HG2 VAL 51 1.916 -10.529 -7.423 396 2HG2 VAL 51 2HG2 VAL 51 3.010 -9.151 -7.296 397 3HG2 VAL 51 3HG2 VAL 51 3.626 -10.790 -7.081 398 H THR 52 H THR 52 5.002 -10.646 -3.119 399 HA THR 52 HA THR 52 3.222 -10.343 -0.836 400 HB THR 52 HB THR 52 4.044 -12.572 -1.204 401 HG1 THR 52 1HG THR 52 5.390 -12.721 0.855 402 1HG2 THR 52 1HG2 THR 52 6.024 -12.311 -2.440 403 2HG2 THR 52 2HG2 THR 52 6.556 -12.976 -0.895 404 3HG2 THR 52 3HG2 THR 52 6.745 -11.255 -1.226 405 H GLU 53 H GLU 53 6.212 -9.090 -2.023 406 HA GLU 53 HA GLU 53 7.343 -8.265 0.438 407 1HB GLU 53 1HB GLU 53 8.120 -8.235 -2.228 408 2HB GLU 53 2HB GLU 53 7.984 -6.533 -1.812 409 1HG GLU 53 1HG GLU 53 10.033 -6.692 -0.988 410 2HG GLU 53 2HG GLU 53 9.331 -7.620 0.336 411 H PHE 54 H PHE 54 4.886 -6.939 -1.622 412 HA PHE 54 HA PHE 54 4.963 -4.315 -0.426 413 1HB PHE 54 1HB PHE 54 2.669 -5.360 -2.058 414 2HB PHE 54 2HB PHE 54 3.289 -3.716 -1.946 415 HD1 PHE 54 1HD PHE 54 2.888 -6.181 -4.181 416 HD2 PHE 54 2HD PHE 54 6.041 -3.834 -2.547 417 HE1 PHE 54 1HE PHE 54 4.214 -6.549 -6.221 418 HE2 PHE 54 2HE PHE 54 7.371 -4.197 -4.584 419 HZ PHE 54 HZ PHE 54 6.459 -5.556 -6.425 420 H ALA 55 H ALA 55 3.603 -7.322 0.351 421 HA ALA 55 HA ALA 55 1.326 -6.301 1.800 422 1HB ALA 55 1HB ALA 55 1.878 -8.934 2.627 423 2HB ALA 55 2HB ALA 55 0.642 -8.388 1.492 424 3HB ALA 55 3HB ALA 55 2.236 -8.858 0.902 425 H CYS 56 H CYS 56 4.529 -6.154 2.393 426 HA CYS 56 HA CYS 56 4.119 -6.234 5.308 427 1HB CYS 56 1HB CYS 56 6.056 -7.663 3.698 428 2HB CYS 56 2HB CYS 56 6.859 -6.618 4.864 429 HG CYS 56 HG CYS 56 6.810 -8.584 6.542 430 H VAL 57 H VAL 57 4.372 -4.195 2.893 431 HA VAL 57 HA VAL 57 6.169 -2.343 4.320 432 HB VAL 57 HB VAL 57 6.902 -3.013 2.007 433 1HG1 VAL 57 1HG1 VAL 57 5.696 -2.541 0.130 434 2HG1 VAL 57 2HG1 VAL 57 4.369 -2.826 1.257 435 3HG1 VAL 57 3HG1 VAL 57 4.862 -1.176 0.873 436 1HG2 VAL 57 1HG2 VAL 57 7.795 -1.017 2.952 437 2HG2 VAL 57 2HG2 VAL 57 7.348 -0.648 1.286 438 3HG2 VAL 57 3HG2 VAL 57 6.314 -0.121 2.614 439 H VAL 58 H VAL 58 3.014 -2.887 3.031 440 HA VAL 58 HA VAL 58 2.241 -0.090 3.409 441 HB VAL 58 HB VAL 58 0.505 -2.344 2.406 442 1HG1 VAL 58 1HG1 VAL 58 -0.795 -0.482 3.124 443 2HG1 VAL 58 2HG1 VAL 58 0.278 0.658 2.310 444 3HG1 VAL 58 3HG1 VAL 58 -0.737 -0.431 1.363 445 1HG2 VAL 58 1HG2 VAL 58 1.723 -2.369 0.546 446 2HG2 VAL 58 2HG2 VAL 58 1.212 -0.706 0.257 447 3HG2 VAL 58 3HG2 VAL 58 2.719 -1.028 1.114 448 H ALA 59 H ALA 59 1.957 -3.207 4.881 449 HA ALA 59 HA ALA 59 -0.329 -2.720 6.480 450 1HB ALA 59 1HB ALA 59 0.970 -4.937 5.928 451 2HB ALA 59 2HB ALA 59 1.826 -4.547 7.420 452 3HB ALA 59 3HB ALA 59 0.076 -4.761 7.438 453 H GLU 60 H GLU 60 3.046 -1.915 6.815 454 HA GLU 60 HA GLU 60 2.691 -1.088 9.589 455 1HB GLU 60 1HB GLU 60 5.085 -0.707 9.606 456 2HB GLU 60 2HB GLU 60 4.743 -2.298 8.940 457 1HG GLU 60 1HG GLU 60 5.994 -1.775 7.198 458 2HG GLU 60 2HG GLU 60 4.793 -0.566 6.749 459 H ALA 61 H ALA 61 2.799 0.238 6.406 460 HA ALA 61 HA ALA 61 3.344 2.941 7.268 461 1HB ALA 61 1HB ALA 61 4.117 2.191 5.085 462 2HB ALA 61 2HB ALA 61 2.452 1.886 4.587 463 3HB ALA 61 3HB ALA 61 2.985 3.534 4.919 464 H VAL 62 H VAL 62 0.731 1.030 7.617 465 HA VAL 62 HA VAL 62 -1.196 3.216 7.186 466 HB VAL 62 HB VAL 62 -2.947 1.441 7.328 467 1HG1 VAL 62 1HG1 VAL 62 -2.558 2.044 5.148 468 2HG1 VAL 62 2HG1 VAL 62 -0.872 1.522 5.189 469 3HG1 VAL 62 3HG1 VAL 62 -2.164 0.326 5.087 470 1HG2 VAL 62 1HG2 VAL 62 -2.210 -0.907 7.009 471 2HG2 VAL 62 2HG2 VAL 62 -0.549 -0.390 7.302 472 3HG2 VAL 62 3HG2 VAL 62 -1.758 -0.240 8.578 473 H VAL 63 H VAL 63 -0.038 0.828 9.502 474 HA VAL 63 HA VAL 63 -1.856 1.214 11.564 475 HB VAL 63 HB VAL 63 1.099 0.623 11.774 476 1HG1 VAL 63 1HG1 VAL 63 -0.344 -0.503 13.919 477 2HG1 VAL 63 2HG1 VAL 63 0.875 0.772 13.978 478 3HG1 VAL 63 3HG1 VAL 63 -0.830 1.188 13.804 479 1HG2 VAL 63 1HG2 VAL 63 -1.065 -1.401 12.106 480 2HG2 VAL 63 2HG2 VAL 63 -0.583 -0.916 10.480 481 3HG2 VAL 63 3HG2 VAL 63 0.605 -1.615 11.580 482 H LYS 64 H LYS 64 1.440 2.542 11.701 483 HA LYS 64 HA LYS 64 0.952 4.448 13.641 484 1HB LYS 64 1HB LYS 64 2.971 5.623 12.719 485 2HB LYS 64 2HB LYS 64 3.206 3.914 13.059 486 1HG LYS 64 1HG LYS 64 2.371 3.997 10.408 487 2HG LYS 64 2HG LYS 64 3.487 5.354 10.578 488 1HD LYS 64 1HD LYS 64 4.127 2.575 11.544 489 2HD LYS 64 2HD LYS 64 4.519 3.140 9.918 490 1HE LYS 64 1HE LYS 64 5.871 4.937 10.858 491 2HE LYS 64 2HE LYS 64 5.451 4.416 12.489 492 1HZ LYS 64 1HZ LYS 64 6.428 2.157 11.463 493 2HZ LYS 64 2HZ LYS 64 7.363 3.280 12.314 494 3HZ LYS 64 3HZ LYS 64 7.361 3.291 10.623 495 H THR 65 H THR 65 0.581 4.694 10.142 496 HA THR 65 HA THR 65 0.086 7.462 10.010 497 HB THR 65 HB THR 65 -0.867 5.251 8.180 498 HG1 THR 65 1HG THR 65 0.949 5.796 6.985 499 1HG2 THR 65 1HG2 THR 65 -1.188 7.031 6.514 500 2HG2 THR 65 2HG2 THR 65 -0.801 8.239 7.739 501 3HG2 THR 65 3HG2 THR 65 -2.248 7.244 7.907 502 H LEU 66 H LEU 66 -1.915 4.778 10.925 503 HA LEU 66 HA LEU 66 -4.197 6.620 11.216 504 1HB LEU 66 1HB LEU 66 -4.131 3.729 10.409 505 2HB LEU 66 2HB LEU 66 -5.588 4.477 11.060 506 HG LEU 66 HG LEU 66 -5.260 6.192 9.137 507 1HD1 LEU 66 1HD1 LEU 66 -4.194 5.247 7.154 508 2HD1 LEU 66 2HD1 LEU 66 -3.681 3.846 8.092 509 3HD1 LEU 66 3HD1 LEU 66 -3.038 5.443 8.472 510 1HD2 LEU 66 1HD2 LEU 66 -6.253 4.262 7.562 511 2HD2 LEU 66 2HD2 LEU 66 -7.178 5.031 8.853 512 3HD2 LEU 66 3HD2 LEU 66 -6.405 3.470 9.131 513 H GLN 67 H GLN 67 -2.716 6.790 13.291 514 HA GLN 67 HA GLN 67 -3.893 4.974 15.287 515 1HB GLN 67 1HB GLN 67 -1.060 5.821 14.911 516 2HB GLN 67 2HB GLN 67 -1.648 5.612 16.555 517 1HG GLN 67 1HG GLN 67 -2.520 3.343 15.227 518 2HG GLN 67 2HG GLN 67 -0.902 3.632 14.589 519 1HE2 GLN 67 1HE2 GLN 67 -2.345 1.792 16.681 520 2HE2 GLN 67 2HE2 GLN 67 -1.197 1.739 17.970 521 HA PRO 68 HA PRO 68 -4.292 9.668 16.169 522 1HB PRO 68 1HB PRO 68 -6.833 10.069 15.304 523 2HB PRO 68 2HB PRO 68 -5.418 10.307 14.272 524 1HG PRO 68 1HG PRO 68 -7.277 7.965 14.429 525 2HG PRO 68 2HG PRO 68 -6.595 8.758 12.997 526 1HD PRO 68 1HD PRO 68 -5.597 6.448 13.997 527 2HD PRO 68 2HD PRO 68 -4.578 7.660 13.194 528 H VAL 69 H VAL 69 -6.960 7.296 16.222 529 HA VAL 69 HA VAL 69 -7.090 7.469 19.111 530 HB VAL 69 HB VAL 69 -9.604 7.865 19.015 531 1HG1 VAL 69 1HG1 VAL 69 -7.594 9.538 19.509 532 2HG1 VAL 69 2HG1 VAL 69 -8.269 10.346 18.092 533 3HG1 VAL 69 3HG1 VAL 69 -9.279 10.059 19.511 534 1HG2 VAL 69 1HG2 VAL 69 -8.869 8.882 16.272 535 2HG2 VAL 69 2HG2 VAL 69 -9.935 7.525 16.637 536 3HG2 VAL 69 3HG2 VAL 69 -10.410 9.164 17.082 537 H SER 70 H SER 70 -6.304 5.256 18.310 538 HA SER 70 HA SER 70 -7.987 3.414 17.075 539 1HB SER 70 1HB SER 70 -6.323 2.270 19.205 540 2HB SER 70 2HB SER 70 -6.313 1.948 17.471 541 HG SER 70 HG SER 70 -4.402 3.038 18.478 542 H ASP 71 H ASP 71 -8.040 4.690 20.285 543 HA ASP 71 HA ASP 71 -9.337 2.729 21.727 544 1HB ASP 71 1HB ASP 71 -9.945 4.395 23.257 545 2HB ASP 71 2HB ASP 71 -8.515 5.061 22.472 546 H LEU 72 H LEU 72 -10.592 4.813 19.235 547 HA LEU 72 HA LEU 72 -13.353 4.172 19.797 548 1HB LEU 72 1HB LEU 72 -11.987 5.693 17.593 549 2HB LEU 72 2HB LEU 72 -13.721 5.381 17.597 550 HG LEU 72 HG LEU 72 -12.335 6.837 19.836 551 1HD1 LEU 72 1HD1 LEU 72 -11.888 8.372 18.229 552 2HD1 LEU 72 2HD1 LEU 72 -13.565 8.815 18.547 553 3HD1 LEU 72 3HD1 LEU 72 -13.170 7.797 17.162 554 1HD2 LEU 72 1HD2 LEU 72 -15.031 5.959 19.278 555 2HD2 LEU 72 2HD2 LEU 72 -14.955 7.707 19.506 556 3HD2 LEU 72 3HD2 LEU 72 -14.347 6.626 20.760 557 H LEU 73 H LEU 73 -11.067 3.501 17.148 558 HA LEU 73 HA LEU 73 -12.659 1.895 15.574 559 1HB LEU 73 1HB LEU 73 -9.711 1.839 16.133 560 2HB LEU 73 2HB LEU 73 -10.456 0.723 14.990 561 HG LEU 73 HG LEU 73 -11.342 2.849 13.828 562 1HD1 LEU 73 1HD1 LEU 73 -9.174 3.990 15.577 563 2HD1 LEU 73 2HD1 LEU 73 -10.863 4.489 15.483 564 3HD1 LEU 73 3HD1 LEU 73 -9.780 4.783 14.122 565 1HD2 LEU 73 1HD2 LEU 73 -9.821 1.658 12.586 566 2HD2 LEU 73 2HD2 LEU 73 -8.561 1.770 13.815 567 3HD2 LEU 73 3HD2 LEU 73 -8.948 3.173 12.818 568 H THR 74 H THR 74 -10.538 0.858 18.239 569 HA THR 74 HA THR 74 -11.071 -1.866 18.141 570 HB THR 74 HB THR 74 -10.758 -0.579 20.816 571 HG1 THR 74 1HG THR 74 -8.657 -0.018 20.387 572 1HG2 THR 74 1HG2 THR 74 -8.936 -2.430 20.841 573 2HG2 THR 74 2HG2 THR 74 -9.775 -3.037 19.413 574 3HG2 THR 74 3HG2 THR 74 -10.633 -2.896 20.947 575 H ASN 75 H ASN 75 -13.051 0.739 19.254 576 HA ASN 75 HA ASN 75 -14.861 -1.025 20.696 577 1HB ASN 75 1HB ASN 75 -14.744 0.977 21.841 578 2HB ASN 75 2HB ASN 75 -14.590 1.932 20.369 579 1HD2 ASN 75 1HD2 ASN 75 -16.238 3.272 20.276 580 2HD2 ASN 75 2HD2 ASN 75 -17.894 2.868 20.557 581 H MET 76 H MET 76 -14.590 0.589 17.627 582 HA MET 76 HA MET 76 -17.355 0.210 16.909 583 1HB MET 76 1HB MET 76 -14.953 1.023 15.264 584 2HB MET 76 2HB MET 76 -16.605 0.991 14.664 585 1HG MET 76 1HG MET 76 -17.216 2.638 16.413 586 2HG MET 76 2HG MET 76 -15.514 2.731 16.860 587 1HE MET 76 1HE MET 76 -13.762 3.951 15.723 588 2HE MET 76 2HE MET 76 -13.772 2.935 14.282 589 3HE MET 76 3HE MET 76 -13.831 4.691 14.123 590 H GLY 77 H GLY 77 -14.433 -1.611 16.724 591 1HA GLY 77 2HA GLY 77 -14.901 -4.052 16.405 592 2HA GLY 77 1HA GLY 77 -15.775 -3.566 14.961 593 H ILE 78 H ILE 78 -13.212 -1.530 15.183 594 HA ILE 78 HA ILE 78 -11.643 -3.181 13.327 595 HB ILE 78 HB ILE 78 -11.699 -0.189 13.722 596 1HG1 ILE 78 1HG1 ILE 78 -12.444 -1.858 11.313 597 2HG1 ILE 78 2HG1 ILE 78 -13.607 -1.247 12.485 598 1HG2 ILE 78 1HG2 ILE 78 -9.837 -1.954 12.201 599 2HG2 ILE 78 2HG2 ILE 78 -10.238 -0.361 11.561 600 3HG2 ILE 78 3HG2 ILE 78 -9.494 -0.509 13.152 601 1HD1 ILE 78 1HD1 ILE 78 -12.149 0.985 11.725 602 2HD1 ILE 78 2HD1 ILE 78 -12.392 0.075 10.234 603 3HD1 ILE 78 3HD1 ILE 78 -13.779 0.553 11.212 604 H ASP 79 H ASP 79 -9.922 -4.140 14.163 605 HA ASP 79 HA ASP 79 -8.693 -3.117 16.589 606 1HB ASP 79 1HB ASP 79 -9.075 -5.675 15.509 607 2HB ASP 79 2HB ASP 79 -7.338 -5.393 15.423 608 H LEU 80 H LEU 80 -6.766 -2.118 16.718 609 HA LEU 80 HA LEU 80 -5.464 -1.383 14.219 610 1HB LEU 80 1HB LEU 80 -6.035 0.037 16.459 611 2HB LEU 80 2HB LEU 80 -4.355 -0.401 16.760 612 HG LEU 80 HG LEU 80 -4.606 1.823 15.727 613 1HD1 LEU 80 1HD1 LEU 80 -2.802 1.605 14.271 614 2HD1 LEU 80 2HD1 LEU 80 -3.305 0.003 13.733 615 3HD1 LEU 80 3HD1 LEU 80 -2.637 0.220 15.350 616 1HD2 LEU 80 1HD2 LEU 80 -5.105 1.089 13.042 617 2HD2 LEU 80 2HD2 LEU 80 -6.058 2.147 14.082 618 3HD2 LEU 80 3HD2 LEU 80 -6.406 0.418 14.025 619 H ASP 81 H ASP 81 -4.978 -3.436 16.954 620 HA ASP 81 HA ASP 81 -2.141 -3.737 16.599 621 1HB ASP 81 1HB ASP 81 -4.147 -4.614 18.496 622 2HB ASP 81 2HB ASP 81 -3.083 -5.943 18.044 623 H GLU 82 H GLU 82 -4.984 -5.167 15.274 624 HA GLU 82 HA GLU 82 -3.721 -7.596 14.399 625 1HB GLU 82 1HB GLU 82 -5.784 -8.189 13.495 626 2HB GLU 82 2HB GLU 82 -6.230 -7.183 14.866 627 1HG GLU 82 1HG GLU 82 -6.312 -5.257 13.184 628 2HG GLU 82 2HG GLU 82 -6.304 -6.514 11.949 629 H TRP 83 H TRP 83 -4.296 -4.413 13.087 630 HA TRP 83 HA TRP 83 -3.949 -4.875 10.374 631 1HB TRP 83 1HB TRP 83 -3.362 -2.528 12.148 632 2HB TRP 83 2HB TRP 83 -2.904 -2.483 10.447 633 HD1 TRP 83 HD TRP 83 -6.132 -4.268 11.318 634 HE1 TRP 83 1HE TRP 83 -8.123 -2.869 10.480 635 HE3 TRP 83 3HE TRP 83 -3.634 -0.001 10.018 636 HZ2 TRP 83 2HZ TRP 83 -8.574 -0.296 9.408 637 HZ3 TRP 83 3HZ TRP 83 -4.919 1.882 9.093 638 HH2 TRP 83 HH TRP 83 -7.338 1.736 8.795 639 H SER 84 H SER 84 -1.542 -4.525 12.923 640 HA SER 84 HA SER 84 0.699 -4.508 11.149 641 1HB SER 84 1HB SER 84 1.150 -5.410 13.923 642 2HB SER 84 2HB SER 84 1.937 -4.121 13.012 643 HG SER 84 HG SER 84 0.776 -2.950 14.356 644 H VAL 85 H VAL 85 -1.268 -6.952 12.571 645 HA VAL 85 HA VAL 85 0.592 -9.016 11.583 646 HB VAL 85 HB VAL 85 -0.302 -10.550 13.269 647 1HG1 VAL 85 1HG1 VAL 85 0.629 -9.384 15.299 648 2HG1 VAL 85 2HG1 VAL 85 1.692 -9.421 13.890 649 3HG1 VAL 85 3HG1 VAL 85 0.810 -7.947 14.294 650 1HG2 VAL 85 1HG2 VAL 85 -2.397 -8.732 13.428 651 2HG2 VAL 85 2HG2 VAL 85 -2.155 -10.154 14.442 652 3HG2 VAL 85 3HG2 VAL 85 -1.561 -8.581 14.974 653 H ALA 86 H ALA 86 -1.330 -7.777 9.945 654 HA ALA 86 HA ALA 86 -3.279 -9.958 9.574 655 1HB ALA 86 1HB ALA 86 -3.645 -7.093 9.673 656 2HB ALA 86 2HB ALA 86 -4.243 -7.771 8.158 657 3HB ALA 86 3HB ALA 86 -4.846 -8.385 9.698 658 H THR 87 H THR 87 -4.158 -9.650 7.118 659 HA THR 87 HA THR 87 -1.742 -9.770 5.432 660 HB THR 87 HB THR 87 -2.885 -11.951 5.703 661 HG1 THR 87 1HG THR 87 -2.112 -12.204 3.757 662 1HG2 THR 87 1HG2 THR 87 -5.178 -10.614 4.260 663 2HG2 THR 87 2HG2 THR 87 -5.180 -11.084 5.960 664 3HG2 THR 87 3HG2 THR 87 -5.073 -12.317 4.704 665 H PHE 88 H PHE 88 -1.654 -8.571 3.615 666 HA PHE 88 HA PHE 88 -4.080 -7.093 2.836 667 1HB PHE 88 1HB PHE 88 -1.302 -6.131 3.328 668 2HB PHE 88 2HB PHE 88 -2.215 -5.373 2.027 669 HD1 PHE 88 1HD PHE 88 -2.955 -6.503 5.510 670 HD2 PHE 88 2HD PHE 88 -3.171 -3.385 2.622 671 HE1 PHE 88 1HE PHE 88 -4.091 -5.065 7.153 672 HE2 PHE 88 2HE PHE 88 -4.306 -1.942 4.260 673 HZ PHE 88 HZ PHE 88 -4.767 -2.781 6.528 674 H TYR 89 H TYR 89 -4.740 -7.899 0.956 675 HA TYR 89 HA TYR 89 -2.842 -9.003 -0.940 676 1HB TYR 89 1HB TYR 89 -5.854 -8.775 -1.115 677 2HB TYR 89 2HB TYR 89 -4.823 -9.703 -2.199 678 HD1 TYR 89 1HD TYR 89 -6.030 -9.472 1.295 679 HD2 TYR 89 2HD TYR 89 -4.136 -11.896 -1.644 680 HE1 TYR 89 1HE TYR 89 -6.243 -11.424 2.776 681 HE2 TYR 89 2HE TYR 89 -4.345 -13.855 -0.172 682 HH TYR 89 HH TYR 89 -4.638 -14.398 2.139 683 H LEU 90 H LEU 90 -1.913 -7.817 -2.458 684 HA LEU 90 HA LEU 90 -2.921 -5.178 -3.091 685 1HB LEU 90 1HB LEU 90 -0.501 -6.695 -4.050 686 2HB LEU 90 2HB LEU 90 -0.887 -5.040 -4.516 687 HG LEU 90 HG LEU 90 0.755 -4.853 -2.850 688 1HD1 LEU 90 1HD1 LEU 90 -0.341 -3.684 -1.075 689 2HD1 LEU 90 2HD1 LEU 90 -1.853 -4.540 -1.376 690 3HD1 LEU 90 3HD1 LEU 90 -1.240 -3.391 -2.564 691 1HD2 LEU 90 1HD2 LEU 90 -0.808 -6.616 -0.986 692 2HD2 LEU 90 2HD2 LEU 90 0.868 -6.082 -0.854 693 3HD2 LEU 90 3HD2 LEU 90 0.412 -7.261 -2.085 694 H PHE 91 H PHE 91 -4.848 -5.604 -4.194 695 HA PHE 91 HA PHE 91 -4.788 -7.225 -6.596 696 1HB PHE 91 1HB PHE 91 -6.899 -5.843 -5.006 697 2HB PHE 91 2HB PHE 91 -7.230 -6.182 -6.702 698 HD1 PHE 91 1HD PHE 91 -8.175 -8.201 -7.256 699 HD2 PHE 91 2HD PHE 91 -5.962 -7.879 -3.635 700 HE1 PHE 91 1HE PHE 91 -8.799 -10.509 -6.673 701 HE2 PHE 91 2HE PHE 91 -6.582 -10.186 -3.047 702 HZ PHE 91 HZ PHE 91 -8.001 -11.505 -4.567 703 H ASP 92 H ASP 92 -6.188 -6.098 -8.470 704 HA ASP 92 HA ASP 92 -5.083 -3.416 -8.946 705 1HB ASP 92 1HB ASP 92 -5.166 -5.602 -11.033 706 2HB ASP 92 2HB ASP 92 -4.475 -3.991 -11.209 707 H ASP 93 H ASP 93 -6.106 -2.975 -11.456 708 HA ASP 93 HA ASP 93 -8.889 -2.543 -10.842 709 1HB ASP 93 1HB ASP 93 -8.944 -1.268 -12.922 710 2HB ASP 93 2HB ASP 93 -7.541 -0.806 -11.962 711 H ALA 94 H ALA 94 -7.306 -5.161 -11.943 712 HA ALA 94 HA ALA 94 -9.489 -5.972 -13.748 713 1HB ALA 94 1HB ALA 94 -8.014 -7.412 -14.872 714 2HB ALA 94 2HB ALA 94 -7.102 -5.921 -14.630 715 3HB ALA 94 3HB ALA 94 -6.807 -7.314 -13.589 716 H GLY 95 H GLY 95 -8.373 -6.326 -10.646 717 1HA GLY 95 2HA GLY 95 -9.348 -7.664 -8.991 718 2HA GLY 95 1HA GLY 95 -10.028 -8.685 -10.249 719 H GLU 96 H GLU 96 -6.708 -7.975 -10.603 720 HA GLU 96 HA GLU 96 -6.045 -10.683 -9.662 721 1HB GLU 96 1HB GLU 96 -4.146 -10.595 -11.218 722 2HB GLU 96 2HB GLU 96 -5.677 -10.363 -12.050 723 1HG GLU 96 1HG GLU 96 -5.167 -7.841 -11.763 724 2HG GLU 96 2HG GLU 96 -3.512 -8.386 -11.494 725 H GLU 97 H GLU 97 -4.039 -11.022 -8.578 726 HA GLU 97 HA GLU 97 -3.302 -8.762 -6.897 727 1HB GLU 97 1HB GLU 97 -3.800 -11.201 -6.117 728 2HB GLU 97 2HB GLU 97 -2.147 -11.516 -6.628 729 1HG GLU 97 1HG GLU 97 -1.252 -10.396 -4.896 730 2HG GLU 97 2HG GLU 97 -2.519 -9.171 -4.891 731 H ASN 98 H ASN 98 -2.265 -7.718 -8.807 732 HA ASN 98 HA ASN 98 0.522 -8.636 -9.055 733 1HB ASN 98 1HB ASN 98 -1.188 -7.408 -11.230 734 2HB ASN 98 2HB ASN 98 0.528 -7.776 -11.378 735 1HD2 ASN 98 1HD2 ASN 98 -1.911 -8.774 -12.783 736 2HD2 ASN 98 2HD2 ASN 98 -1.808 -10.495 -12.672 737 H PHE 99 H PHE 99 1.703 -6.616 -10.310 738 HA PHE 99 HA PHE 99 1.198 -4.302 -8.559 739 1HB PHE 99 1HB PHE 99 3.663 -3.778 -9.108 740 2HB PHE 99 2HB PHE 99 3.331 -5.099 -7.992 741 HD1 PHE 99 1HD PHE 99 3.631 -7.421 -8.690 742 HD2 PHE 99 2HD PHE 99 4.624 -4.177 -11.260 743 HE1 PHE 99 1HE PHE 99 4.943 -8.948 -10.105 744 HE2 PHE 99 2HE PHE 99 5.938 -5.698 -12.679 745 HZ PHE 99 HZ PHE 99 6.098 -8.087 -12.103 746 H SER 100 H SER 100 -0.419 -4.088 -10.529 747 HA SER 100 HA SER 100 0.741 -2.970 -12.916 748 1HB SER 100 1HB SER 100 -1.579 -2.609 -13.621 749 2HB SER 100 2HB SER 100 -1.370 -4.246 -12.999 750 HG SER 100 HG SER 100 -2.057 -3.034 -10.908 751 H SER 101 H SER 101 -0.770 -0.839 -13.570 752 HA SER 101 HA SER 101 0.497 1.314 -12.410 753 1HB SER 101 1HB SER 101 -1.284 0.989 -14.473 754 2HB SER 101 2HB SER 101 -2.229 1.929 -13.319 755 HG SER 101 HG SER 101 -0.082 2.674 -14.846 756 H ARG 102 H ARG 102 -2.521 -0.232 -11.472 757 HA ARG 102 HA ARG 102 -2.600 1.509 -9.094 758 1HB ARG 102 1HB ARG 102 -4.520 1.905 -10.554 759 2HB ARG 102 2HB ARG 102 -4.906 0.190 -10.536 760 1HG ARG 102 1HG ARG 102 -6.300 0.699 -8.877 761 2HG ARG 102 2HG ARG 102 -4.855 0.805 -7.870 762 1HD ARG 102 1HD ARG 102 -6.284 3.051 -9.279 763 2HD ARG 102 2HD ARG 102 -6.139 2.795 -7.541 764 HE ARG 102 HE ARG 102 -3.571 3.011 -8.310 765 1HH1 ARG 102 2HH1 ARG 102 -6.383 4.968 -8.932 766 2HH1 ARG 102 1HH1 ARG 102 -5.487 6.445 -9.063 767 1HH2 ARG 102 2HH2 ARG 102 -2.381 4.950 -8.479 768 2HH2 ARG 102 1HH2 ARG 102 -3.211 6.433 -8.805 769 H MET 103 H MET 103 -2.629 0.563 -7.131 770 HA MET 103 HA MET 103 -2.898 -2.369 -7.032 771 1HB MET 103 1HB MET 103 -0.833 -0.580 -5.808 772 2HB MET 103 2HB MET 103 -1.270 -2.077 -4.996 773 1HG MET 103 1HG MET 103 -0.615 -3.368 -6.913 774 2HG MET 103 2HG MET 103 -0.318 -1.902 -7.844 775 1HE MET 103 1HE MET 103 2.708 -4.312 -6.192 776 2HE MET 103 2HE MET 103 1.520 -4.251 -4.890 777 3HE MET 103 3HE MET 103 1.009 -4.643 -6.533 778 H TYR 104 H TYR 104 -4.924 -2.544 -6.218 779 HA TYR 104 HA TYR 104 -5.875 -0.832 -4.110 780 1HB TYR 104 1HB TYR 104 -7.031 -3.217 -5.542 781 2HB TYR 104 2HB TYR 104 -7.843 -2.482 -4.164 782 HD1 TYR 104 1HD TYR 104 -7.369 0.380 -4.632 783 HD2 TYR 104 2HD TYR 104 -8.364 -2.711 -7.381 784 HE1 TYR 104 1HE TYR 104 -8.396 2.045 -6.123 785 HE2 TYR 104 2HE TYR 104 -9.393 -1.055 -8.880 786 HH TYR 104 HH TYR 104 -9.762 1.105 -9.261 787 H CYS 105 H CYS 105 -6.801 -1.756 -2.093 788 HA CYS 105 HA CYS 105 -5.052 -3.882 -1.042 789 1HB CYS 105 1HB CYS 105 -5.518 -2.787 1.208 790 2HB CYS 105 2HB CYS 105 -4.493 -1.885 0.100 791 HG CYS 105 HG CYS 105 -7.754 -1.246 0.887 792 H SER 106 H SER 106 -6.571 -5.487 -1.717 793 HA SER 106 HA SER 106 -9.208 -5.451 -0.484 794 1HB SER 106 1HB SER 106 -7.917 -6.913 -2.695 795 2HB SER 106 2HB SER 106 -9.042 -7.872 -1.734 796 HG SER 106 HG SER 106 -9.638 -6.167 -3.628 797 H PHE 107 H PHE 107 -9.909 -6.854 1.081 798 HA PHE 107 HA PHE 107 -7.800 -8.223 2.575 799 1HB PHE 107 1HB PHE 107 -10.475 -7.100 3.263 800 2HB PHE 107 2HB PHE 107 -9.874 -8.447 4.223 801 HD1 PHE 107 1HD PHE 107 -9.650 -7.233 6.261 802 HD2 PHE 107 2HD PHE 107 -7.692 -5.900 2.725 803 HE1 PHE 107 1HE PHE 107 -8.298 -5.674 7.601 804 HE2 PHE 107 2HE PHE 107 -6.337 -4.339 4.060 805 HZ PHE 107 HZ PHE 107 -6.638 -4.226 6.501 806 H TYR 108 H TYR 108 -8.222 -9.638 0.395 807 HA TYR 108 HA TYR 108 -9.080 -12.150 1.331 808 1HB TYR 108 1HB TYR 108 -11.069 -12.514 -0.007 809 2HB TYR 108 2HB TYR 108 -11.319 -11.120 1.038 810 HD1 TYR 108 1HD TYR 108 -11.061 -8.802 0.032 811 HD2 TYR 108 2HD TYR 108 -11.308 -12.328 -2.337 812 HE1 TYR 108 1HE TYR 108 -11.668 -7.439 -1.923 813 HE2 TYR 108 2HE TYR 108 -11.914 -10.974 -4.299 814 HH TYR 108 HH TYR 108 -11.371 -8.106 -4.795 815 HA PRO 109 HA PRO 109 -6.602 -13.444 -2.053 816 1HB PRO 109 1HB PRO 109 -7.611 -15.919 -2.530 817 2HB PRO 109 2HB PRO 109 -6.625 -15.541 -1.113 818 1HG PRO 109 1HG PRO 109 -9.601 -15.756 -1.348 819 2HG PRO 109 2HG PRO 109 -8.533 -16.367 -0.071 820 1HD PRO 109 1HD PRO 109 -9.967 -14.086 0.197 821 2HD PRO 109 2HD PRO 109 -8.378 -14.311 0.958 822 HA PRO 110 HA PRO 110 -8.546 -12.805 -5.944 823 1HB PRO 110 1HB PRO 110 -7.231 -14.533 -7.574 824 2HB PRO 110 2HB PRO 110 -6.485 -13.068 -6.925 825 1HG PRO 110 1HG PRO 110 -6.246 -15.896 -5.972 826 2HG PRO 110 2HG PRO 110 -4.982 -14.665 -6.150 827 1HD PRO 110 1HD PRO 110 -6.103 -15.267 -3.760 828 2HD PRO 110 2HD PRO 110 -5.529 -13.636 -4.161 829 H ASP 111 H ASP 111 -8.130 -16.266 -5.220 830 HA ASP 111 HA ASP 111 -10.839 -16.910 -5.382 831 1HB ASP 111 1HB ASP 111 -9.592 -16.620 -7.950 832 2HB ASP 111 2HB ASP 111 -10.026 -18.310 -7.705 833 H GLU 112 H GLU 112 -7.518 -17.942 -5.827 834 HA GLU 112 HA GLU 112 -7.753 -20.682 -5.577 835 1HB GLU 112 1HB GLU 112 -5.666 -18.811 -5.530 836 2HB GLU 112 2HB GLU 112 -5.507 -19.715 -4.031 837 1HG GLU 112 1HG GLU 112 -4.205 -20.919 -5.506 838 2HG GLU 112 2HG GLU 112 -5.730 -21.803 -5.517 Start of MODEL 3 1 1H ALA 1 1H ALA 1 12.314 11.113 -6.939 2 HA ALA 1 HA ALA 1 13.418 10.163 -8.701 3 1HB ALA 1 1HB ALA 1 15.424 12.211 -7.870 4 2HB ALA 1 2HB ALA 1 15.878 10.965 -9.033 5 3HB ALA 1 3HB ALA 1 14.538 12.055 -9.387 6 HA PRO 2 HA PRO 2 15.288 7.339 -5.512 7 1HB PRO 2 1HB PRO 2 13.701 5.220 -6.112 8 2HB PRO 2 2HB PRO 2 13.235 6.472 -4.954 9 1HG PRO 2 1HG PRO 2 12.443 6.156 -7.824 10 2HG PRO 2 2HG PRO 2 11.441 6.595 -6.428 11 1HD PRO 2 1HD PRO 2 12.377 8.432 -8.183 12 2HD PRO 2 2HD PRO 2 12.133 8.793 -6.462 13 H ILE 3 H ILE 3 17.008 7.710 -7.256 14 HA ILE 3 HA ILE 3 17.089 5.716 -9.356 15 HB ILE 3 HB ILE 3 19.269 7.642 -8.554 16 1HG1 ILE 3 1HG1 ILE 3 17.088 8.001 -10.621 17 2HG1 ILE 3 2HG1 ILE 3 17.171 8.838 -9.075 18 1HG2 ILE 3 1HG2 ILE 3 18.745 6.056 -11.061 19 2HG2 ILE 3 2HG2 ILE 3 19.961 7.326 -10.928 20 3HG2 ILE 3 3HG2 ILE 3 20.093 5.872 -9.939 21 1HD1 ILE 3 1HD1 ILE 3 18.894 9.171 -11.492 22 2HD1 ILE 3 2HD1 ILE 3 18.001 10.387 -10.578 23 3HD1 ILE 3 3HD1 ILE 3 19.461 9.668 -9.898 24 H LYS 4 H LYS 4 18.686 4.104 -9.559 25 HA LYS 4 HA LYS 4 19.245 2.646 -7.241 26 1HB LYS 4 1HB LYS 4 19.167 1.511 -9.343 27 2HB LYS 4 2HB LYS 4 20.439 2.527 -10.010 28 1HG LYS 4 1HG LYS 4 21.377 0.395 -9.526 29 2HG LYS 4 2HG LYS 4 22.005 1.542 -8.340 30 1HD LYS 4 1HD LYS 4 21.446 -0.295 -7.035 31 2HD LYS 4 2HD LYS 4 20.028 0.743 -6.873 32 1HE LYS 4 1HE LYS 4 19.885 -1.076 -9.151 33 2HE LYS 4 2HE LYS 4 20.010 -1.906 -7.601 34 1HZ LYS 4 1HZ LYS 4 18.064 -0.880 -6.828 35 2HZ LYS 4 2HZ LYS 4 17.698 -1.367 -8.406 36 3HZ LYS 4 3HZ LYS 4 18.046 0.256 -8.081 37 H GLY 5 H GLY 5 20.857 2.685 -5.792 38 1HA GLY 5 2HA GLY 5 22.681 3.482 -4.643 39 2HA GLY 5 1HA GLY 5 23.507 3.330 -6.187 40 H VAL 6 H VAL 6 24.015 5.135 -7.338 41 HA VAL 6 HA VAL 6 22.942 7.712 -6.465 42 HB VAL 6 HB VAL 6 25.909 7.408 -6.840 43 1HG1 VAL 6 1HG1 VAL 6 25.394 9.650 -6.949 44 2HG1 VAL 6 2HG1 VAL 6 24.052 9.507 -5.811 45 3HG1 VAL 6 3HG1 VAL 6 25.716 9.451 -5.227 46 1HG2 VAL 6 1HG2 VAL 6 26.114 7.352 -4.375 47 2HG2 VAL 6 2HG2 VAL 6 24.366 7.149 -4.260 48 3HG2 VAL 6 3HG2 VAL 6 25.348 5.906 -5.033 49 H THR 7 H THR 7 22.712 5.983 -8.861 50 HA THR 7 HA THR 7 24.211 7.141 -10.981 51 HB THR 7 HB THR 7 21.586 5.968 -11.658 52 HG1 THR 7 1HG THR 7 23.565 4.186 -10.733 53 1HG2 THR 7 1HG2 THR 7 23.301 4.513 -13.015 54 2HG2 THR 7 2HG2 THR 7 24.420 5.808 -12.585 55 3HG2 THR 7 3HG2 THR 7 22.957 6.173 -13.499 56 H PHE 8 H PHE 8 23.123 8.234 -12.865 57 HA PHE 8 HA PHE 8 20.737 9.709 -12.505 58 1HB PHE 8 1HB PHE 8 21.597 11.936 -12.187 59 2HB PHE 8 2HB PHE 8 22.224 10.917 -10.895 60 HD1 PHE 8 1HD PHE 8 24.567 10.370 -10.764 61 HD2 PHE 8 2HD PHE 8 23.054 12.785 -13.926 62 HE1 PHE 8 1HE PHE 8 26.861 11.053 -11.335 63 HE2 PHE 8 2HE PHE 8 25.345 13.471 -14.503 64 HZ PHE 8 HZ PHE 8 27.252 12.605 -13.208 65 H GLY 9 H GLY 9 20.014 10.440 -14.432 66 1HA GLY 9 2HA GLY 9 19.927 10.679 -16.716 67 2HA GLY 9 1HA GLY 9 21.478 11.485 -16.532 68 H GLU 10 H GLU 10 19.989 8.283 -16.855 69 HA GLU 10 HA GLU 10 22.504 7.311 -18.033 70 1HB GLU 10 1HB GLU 10 20.368 6.024 -16.422 71 2HB GLU 10 2HB GLU 10 21.110 5.046 -17.680 72 1HG GLU 10 1HG GLU 10 22.728 6.517 -15.627 73 2HG GLU 10 2HG GLU 10 22.107 4.890 -15.359 74 H ASP 11 H ASP 11 18.974 7.044 -18.416 75 HA ASP 11 HA ASP 11 19.123 7.419 -21.237 76 1HB ASP 11 1HB ASP 11 19.781 4.907 -20.657 77 2HB ASP 11 2HB ASP 11 18.031 4.723 -20.585 78 H THR 12 H THR 12 17.141 5.898 -18.701 79 HA THR 12 HA THR 12 15.095 7.824 -18.830 80 HB THR 12 HB THR 12 14.645 6.785 -21.030 81 HG1 THR 12 1HG THR 12 12.439 6.593 -20.657 82 1HG2 THR 12 1HG2 THR 12 13.471 4.344 -19.980 83 2HG2 THR 12 2HG2 THR 12 15.216 4.404 -19.731 84 3HG2 THR 12 3HG2 THR 12 14.550 4.574 -21.355 85 H VAL 13 H VAL 13 13.048 7.000 -17.694 86 HA VAL 13 HA VAL 13 13.909 5.533 -15.341 87 HB VAL 13 HB VAL 13 11.110 6.521 -15.698 88 1HG1 VAL 13 1HG1 VAL 13 13.029 6.193 -13.410 89 2HG1 VAL 13 2HG1 VAL 13 11.540 7.129 -13.260 90 3HG1 VAL 13 3HG1 VAL 13 11.468 5.412 -13.659 91 1HG2 VAL 13 1HG2 VAL 13 13.566 8.209 -15.416 92 2HG2 VAL 13 2HG2 VAL 13 12.160 8.450 -16.453 93 3HG2 VAL 13 3HG2 VAL 13 12.033 8.730 -14.716 94 H TRP 14 H TRP 14 12.429 3.892 -14.385 95 HA TRP 14 HA TRP 14 11.392 1.870 -14.467 96 1HB TRP 14 1HB TRP 14 10.139 3.155 -16.896 97 2HB TRP 14 2HB TRP 14 9.672 1.562 -16.307 98 HD1 TRP 14 HD TRP 14 9.919 5.163 -14.858 99 HE1 TRP 14 1HE TRP 14 7.937 5.500 -13.252 100 HE3 TRP 14 3HE TRP 14 7.832 0.506 -15.157 101 HZ2 TRP 14 2HZ TRP 14 5.774 3.992 -12.244 102 HZ3 TRP 14 3HZ TRP 14 5.808 0.034 -13.839 103 HH2 TRP 14 HH TRP 14 4.802 1.742 -12.413 104 H GLU 15 H GLU 15 13.919 2.532 -16.089 105 HA GLU 15 HA GLU 15 14.005 -0.048 -17.476 106 1HB GLU 15 1HB GLU 15 14.668 2.637 -18.644 107 2HB GLU 15 2HB GLU 15 15.470 1.187 -19.231 108 1HG GLU 15 1HG GLU 15 13.215 0.219 -19.685 109 2HG GLU 15 2HG GLU 15 12.525 1.790 -19.283 110 H VAL 16 H VAL 16 15.749 2.675 -16.078 111 HA VAL 16 HA VAL 16 17.995 0.852 -15.511 112 HB VAL 16 HB VAL 16 18.440 3.800 -15.753 113 1HG1 VAL 16 1HG1 VAL 16 20.088 1.956 -14.900 114 2HG1 VAL 16 2HG1 VAL 16 20.320 1.652 -16.623 115 3HG1 VAL 16 3HG1 VAL 16 20.664 3.248 -15.953 116 1HG2 VAL 16 1HG2 VAL 16 17.319 3.275 -17.818 117 2HG2 VAL 16 2HG2 VAL 16 19.042 3.471 -18.137 118 3HG2 VAL 16 3HG2 VAL 16 18.338 1.856 -18.056 119 H GLN 17 H GLN 17 15.995 3.521 -14.419 120 HA GLN 17 HA GLN 17 17.193 4.219 -12.048 121 1HB GLN 17 1HB GLN 17 15.348 5.514 -12.513 122 2HB GLN 17 2HB GLN 17 14.362 4.134 -12.978 123 1HG GLN 17 1HG GLN 17 13.970 3.542 -10.717 124 2HG GLN 17 2HG GLN 17 15.184 4.683 -10.142 125 1HE2 GLN 17 1HE2 GLN 17 11.941 4.246 -11.188 126 2HE2 GLN 17 2HE2 GLN 17 11.394 5.857 -10.889 127 H GLY 18 H GLY 18 15.029 1.477 -12.658 128 1HA GLY 18 2HA GLY 18 15.006 -0.575 -11.564 129 2HA GLY 18 1HA GLY 18 16.200 0.046 -10.433 130 H TYR 19 H TYR 19 13.091 1.524 -11.197 131 HA TYR 19 HA TYR 19 11.885 0.569 -8.748 132 1HB TYR 19 1HB TYR 19 12.938 3.343 -9.047 133 2HB TYR 19 2HB TYR 19 11.408 3.125 -8.205 134 HD1 TYR 19 1HD TYR 19 11.348 1.594 -6.189 135 HD2 TYR 19 2HD TYR 19 14.984 2.903 -7.970 136 HE1 TYR 19 1HE TYR 19 12.559 1.014 -4.129 137 HE2 TYR 19 2HE TYR 19 16.205 2.324 -5.915 138 HH TYR 19 HH TYR 19 16.033 1.049 -3.967 139 H LYS 20 H LYS 20 9.659 1.563 -8.465 140 HA LYS 20 HA LYS 20 8.470 2.427 -10.997 141 1HB LYS 20 1HB LYS 20 7.687 -0.013 -9.416 142 2HB LYS 20 2HB LYS 20 6.550 0.794 -10.487 143 1HG LYS 20 1HG LYS 20 7.407 -0.871 -11.829 144 2HG LYS 20 2HG LYS 20 8.403 0.518 -12.271 145 1HD LYS 20 1HD LYS 20 10.266 -0.472 -11.536 146 2HD LYS 20 2HD LYS 20 9.501 -0.949 -10.018 147 1HE LYS 20 1HE LYS 20 9.715 -3.038 -10.806 148 2HE LYS 20 2HE LYS 20 8.309 -2.639 -11.792 149 1HZ LYS 20 1HZ LYS 20 10.236 -3.610 -13.021 150 2HZ LYS 20 2HZ LYS 20 11.099 -2.193 -12.692 151 3HZ LYS 20 3HZ LYS 20 9.690 -2.127 -13.625 152 H ASN 21 H ASN 21 5.900 2.628 -10.436 153 HA ASN 21 HA ASN 21 5.623 3.945 -7.834 154 1HB ASN 21 1HB ASN 21 4.866 5.219 -10.474 155 2HB ASN 21 2HB ASN 21 4.525 5.889 -8.881 156 1HD2 ASN 21 1HD2 ASN 21 6.947 5.271 -11.275 157 2HD2 ASN 21 2HD2 ASN 21 8.190 6.238 -10.566 158 H VAL 22 H VAL 22 3.840 3.284 -6.843 159 HA VAL 22 HA VAL 22 1.444 2.678 -8.400 160 HB VAL 22 HB VAL 22 2.652 0.725 -6.435 161 1HG1 VAL 22 1HG1 VAL 22 0.519 0.145 -6.086 162 2HG1 VAL 22 2HG1 VAL 22 -0.057 1.067 -7.476 163 3HG1 VAL 22 3HG1 VAL 22 0.592 -0.558 -7.701 164 1HG2 VAL 22 1HG2 VAL 22 2.501 0.826 -9.414 165 2HG2 VAL 22 2HG2 VAL 22 3.840 0.344 -8.373 166 3HG2 VAL 22 3HG2 VAL 22 2.464 -0.736 -8.596 167 H ARG 23 H ARG 23 -0.452 3.069 -7.331 168 HA ARG 23 HA ARG 23 -0.187 4.225 -4.638 169 1HB ARG 23 1HB ARG 23 -1.796 4.926 -7.014 170 2HB ARG 23 2HB ARG 23 -2.634 5.048 -5.473 171 1HG ARG 23 1HG ARG 23 -0.376 6.330 -4.835 172 2HG ARG 23 2HG ARG 23 -0.425 6.668 -6.567 173 1HD ARG 23 1HD ARG 23 -3.019 7.114 -5.776 174 2HD ARG 23 2HD ARG 23 -2.083 7.705 -4.403 175 HE ARG 23 HE ARG 23 -0.828 8.843 -6.491 176 1HH1 ARG 23 2HH1 ARG 23 -4.183 8.666 -5.579 177 2HH1 ARG 23 1HH1 ARG 23 -4.594 10.187 -6.300 178 1HH2 ARG 23 2HH2 ARG 23 -1.357 10.847 -7.443 179 2HH2 ARG 23 1HH2 ARG 23 -2.986 11.427 -7.360 180 H ILE 24 H ILE 24 -2.069 3.952 -3.194 181 HA ILE 24 HA ILE 24 -3.471 1.403 -3.647 182 HB ILE 24 HB ILE 24 -2.515 2.273 -0.929 183 1HG1 ILE 24 1HG1 ILE 24 -0.555 1.967 -2.390 184 2HG1 ILE 24 2HG1 ILE 24 -0.652 0.704 -1.167 185 1HG2 ILE 24 1HG2 ILE 24 -4.247 0.252 -1.851 186 2HG2 ILE 24 2HG2 ILE 24 -2.771 -0.546 -1.311 187 3HG2 ILE 24 3HG2 ILE 24 -3.655 0.510 -0.210 188 1HD1 ILE 24 1HD1 ILE 24 -1.890 0.157 -3.800 189 2HD1 ILE 24 2HD1 ILE 24 -0.129 0.181 -3.702 190 3HD1 ILE 24 3HD1 ILE 24 -1.054 -0.927 -2.689 191 H THR 25 H THR 25 -5.596 1.643 -3.598 192 HA THR 25 HA THR 25 -6.904 3.228 -1.593 193 HB THR 25 HB THR 25 -7.121 4.102 -4.481 194 HG1 THR 25 1HG THR 25 -6.061 5.349 -2.149 195 1HG2 THR 25 1HG2 THR 25 -9.278 4.398 -3.675 196 2HG2 THR 25 2HG2 THR 25 -8.527 5.951 -3.308 197 3HG2 THR 25 3HG2 THR 25 -8.727 4.745 -2.037 198 H PHE 26 H PHE 26 -7.873 1.227 -1.121 199 HA PHE 26 HA PHE 26 -9.879 0.352 -3.095 200 1HB PHE 26 1HB PHE 26 -8.254 -1.401 -2.855 201 2HB PHE 26 2HB PHE 26 -8.312 -1.287 -1.099 202 HD1 PHE 26 1HD PHE 26 -10.362 -2.151 -4.067 203 HD2 PHE 26 2HD PHE 26 -9.788 -2.607 0.125 204 HE1 PHE 26 1HE PHE 26 -12.108 -3.884 -4.020 205 HE2 PHE 26 2HE PHE 26 -11.532 -4.341 0.180 206 HZ PHE 26 HZ PHE 26 -12.694 -4.982 -1.895 207 H GLU 27 H GLU 27 -9.384 -0.413 0.337 208 HA GLU 27 HA GLU 27 -11.380 1.211 1.404 209 1HB GLU 27 1HB GLU 27 -12.390 -1.108 0.008 210 2HB GLU 27 2HB GLU 27 -12.803 -1.186 1.715 211 1HG GLU 27 1HG GLU 27 -13.453 1.370 1.195 212 2HG GLU 27 2HG GLU 27 -13.750 0.646 -0.384 213 H LEU 28 H LEU 28 -10.478 1.394 3.345 214 HA LEU 28 HA LEU 28 -9.782 -1.074 4.796 215 1HB LEU 28 1HB LEU 28 -8.198 1.294 4.222 216 2HB LEU 28 2HB LEU 28 -8.274 0.939 5.947 217 HG LEU 28 HG LEU 28 -7.301 -1.226 5.606 218 1HD1 LEU 28 1HD1 LEU 28 -6.469 -1.531 3.072 219 2HD1 LEU 28 2HD1 LEU 28 -7.995 -0.694 2.790 220 3HD1 LEU 28 3HD1 LEU 28 -7.975 -2.209 3.691 221 1HD2 LEU 28 1HD2 LEU 28 -5.961 1.145 4.419 222 2HD2 LEU 28 2HD2 LEU 28 -5.187 -0.429 4.229 223 3HD2 LEU 28 3HD2 LEU 28 -5.534 0.196 5.843 224 H ASP 29 H ASP 29 -10.438 2.392 5.336 225 HA ASP 29 HA ASP 29 -12.068 1.613 7.665 226 1HB ASP 29 1HB ASP 29 -10.572 4.222 7.411 227 2HB ASP 29 2HB ASP 29 -11.353 3.560 8.844 228 H GLU 30 H GLU 30 -13.456 3.707 8.299 229 HA GLU 30 HA GLU 30 -14.826 4.533 5.824 230 1HB GLU 30 1HB GLU 30 -15.882 3.771 8.528 231 2HB GLU 30 2HB GLU 30 -16.818 4.820 7.473 232 1HG GLU 30 1HG GLU 30 -15.903 2.551 5.994 233 2HG GLU 30 2HG GLU 30 -16.705 2.017 7.471 234 H ARG 31 H ARG 31 -13.467 5.541 8.857 235 HA ARG 31 HA ARG 31 -14.237 8.324 8.280 236 1HB ARG 31 1HB ARG 31 -14.120 6.772 10.741 237 2HB ARG 31 2HB ARG 31 -13.216 8.275 10.862 238 1HG ARG 31 1HG ARG 31 -15.144 9.261 11.340 239 2HG ARG 31 2HG ARG 31 -15.590 9.018 9.650 240 1HD ARG 31 1HD ARG 31 -16.564 6.841 10.237 241 2HD ARG 31 2HD ARG 31 -16.142 7.118 11.926 242 HE ARG 31 HE ARG 31 -18.390 8.172 10.531 243 1HH1 ARG 31 2HH1 ARG 31 -16.093 8.862 13.054 244 2HH1 ARG 31 1HH1 ARG 31 -17.154 9.936 13.905 245 1HH2 ARG 31 2HH2 ARG 31 -19.795 9.584 11.642 246 2HH2 ARG 31 1HH2 ARG 31 -19.260 10.345 13.101 247 H VAL 32 H VAL 32 -11.560 6.292 9.429 248 HA VAL 32 HA VAL 32 -9.678 8.465 8.867 249 HB VAL 32 HB VAL 32 -8.009 7.111 10.029 250 1HG1 VAL 32 1HG1 VAL 32 -10.592 7.800 11.324 251 2HG1 VAL 32 2HG1 VAL 32 -9.403 6.902 12.270 252 3HG1 VAL 32 3HG1 VAL 32 -8.982 8.471 11.582 253 1HG2 VAL 32 1HG2 VAL 32 -8.328 4.891 9.836 254 2HG2 VAL 32 2HG2 VAL 32 -9.269 5.088 11.315 255 3HG2 VAL 32 3HG2 VAL 32 -10.083 5.045 9.750 256 H ASP 33 H ASP 33 -10.884 7.267 6.636 257 HA ASP 33 HA ASP 33 -8.957 5.383 5.541 258 1HB ASP 33 1HB ASP 33 -11.611 5.527 5.205 259 2HB ASP 33 2HB ASP 33 -11.112 6.526 3.843 260 H LYS 34 H LYS 34 -9.900 8.740 5.216 261 HA LYS 34 HA LYS 34 -8.381 9.259 2.860 262 1HB LYS 34 1HB LYS 34 -9.186 11.386 3.004 263 2HB LYS 34 2HB LYS 34 -10.340 10.606 4.077 264 1HG LYS 34 1HG LYS 34 -7.824 11.971 5.006 265 2HG LYS 34 2HG LYS 34 -9.412 12.737 4.947 266 1HD LYS 34 1HD LYS 34 -9.188 10.138 6.364 267 2HD LYS 34 2HD LYS 34 -8.485 11.557 7.143 268 1HE LYS 34 1HE LYS 34 -11.330 11.312 6.169 269 2HE LYS 34 2HE LYS 34 -10.806 11.172 7.847 270 1HZ LYS 34 1HZ LYS 34 -10.963 13.555 6.143 271 2HZ LYS 34 2HZ LYS 34 -9.794 13.509 7.364 272 3HZ LYS 34 3HZ LYS 34 -11.432 13.354 7.756 273 H VAL 35 H VAL 35 -7.626 9.025 6.211 274 HA VAL 35 HA VAL 35 -5.307 10.650 6.262 275 HB VAL 35 HB VAL 35 -5.891 8.252 8.003 276 1HG1 VAL 35 1HG1 VAL 35 -4.492 9.476 9.643 277 2HG1 VAL 35 2HG1 VAL 35 -3.605 8.986 8.199 278 3HG1 VAL 35 3HG1 VAL 35 -4.121 10.662 8.392 279 1HG2 VAL 35 1HG2 VAL 35 -6.745 10.062 9.589 280 2HG2 VAL 35 2HG2 VAL 35 -6.828 11.101 8.167 281 3HG2 VAL 35 3HG2 VAL 35 -7.784 9.621 8.234 282 H LEU 36 H LEU 36 -5.939 7.524 4.993 283 HA LEU 36 HA LEU 36 -3.055 6.990 4.742 284 1HB LEU 36 1HB LEU 36 -3.490 4.714 4.685 285 2HB LEU 36 2HB LEU 36 -4.623 5.319 5.892 286 HG LEU 36 HG LEU 36 -6.126 5.391 3.605 287 1HD1 LEU 36 1HD1 LEU 36 -4.009 3.355 3.303 288 2HD1 LEU 36 2HD1 LEU 36 -4.943 4.217 2.080 289 3HD1 LEU 36 3HD1 LEU 36 -5.656 2.845 2.929 290 1HD2 LEU 36 1HD2 LEU 36 -6.736 4.549 5.859 291 2HD2 LEU 36 2HD2 LEU 36 -5.880 3.051 5.490 292 3HD2 LEU 36 3HD2 LEU 36 -7.296 3.514 4.544 293 H ASN 37 H ASN 37 -5.333 8.463 3.065 294 HA ASN 37 HA ASN 37 -4.514 7.308 0.481 295 1HB ASN 37 1HB ASN 37 -6.834 7.047 0.538 296 2HB ASN 37 2HB ASN 37 -7.084 8.575 1.378 297 1HD2 ASN 37 1HD2 ASN 37 -8.164 9.904 0.127 298 2HD2 ASN 37 2HD2 ASN 37 -7.894 10.164 -1.560 299 H GLU 38 H GLU 38 -4.531 10.097 2.483 300 HA GLU 38 HA GLU 38 -3.473 11.717 0.260 301 1HB GLU 38 1HB GLU 38 -4.413 13.643 1.172 302 2HB GLU 38 2HB GLU 38 -5.656 12.431 1.450 303 1HG GLU 38 1HG GLU 38 -4.854 12.163 3.756 304 2HG GLU 38 2HG GLU 38 -3.657 13.425 3.469 305 H LYS 39 H LYS 39 -2.950 10.486 3.451 306 HA LYS 39 HA LYS 39 -0.549 12.112 3.817 307 1HB LYS 39 1HB LYS 39 -2.456 11.078 5.584 308 2HB LYS 39 2HB LYS 39 -1.009 10.121 5.871 309 1HG LYS 39 1HG LYS 39 0.274 12.117 6.311 310 2HG LYS 39 2HG LYS 39 -1.115 13.130 5.911 311 1HD LYS 39 1HD LYS 39 -1.506 11.070 8.005 312 2HD LYS 39 2HD LYS 39 -0.490 12.453 8.419 313 1HE LYS 39 1HE LYS 39 -3.133 12.906 7.107 314 2HE LYS 39 2HE LYS 39 -3.075 12.530 8.828 315 1HZ LYS 39 1HZ LYS 39 -2.699 14.681 9.141 316 2HZ LYS 39 2HZ LYS 39 -2.451 14.969 7.493 317 3HZ LYS 39 3HZ LYS 39 -1.164 14.458 8.466 318 H CYS 40 H CYS 40 -1.435 9.155 2.508 319 HA CYS 40 HA CYS 40 1.200 8.393 1.908 320 1HB CYS 40 1HB CYS 40 1.347 7.777 4.261 321 2HB CYS 40 2HB CYS 40 -0.112 6.803 4.121 322 HG CYS 40 HG CYS 40 2.661 6.088 2.268 323 H SER 41 H SER 41 0.004 8.372 -0.091 324 HA SER 41 HA SER 41 -1.570 5.907 -0.460 325 1HB SER 41 1HB SER 41 -2.489 7.239 -2.507 326 2HB SER 41 2HB SER 41 -3.111 7.604 -0.897 327 HG SER 41 HG SER 41 -1.054 9.021 -2.249 328 H VAL 42 H VAL 42 1.001 7.940 -1.644 329 HA VAL 42 HA VAL 42 1.431 6.318 -4.012 330 HB VAL 42 HB VAL 42 2.967 8.661 -2.888 331 1HG1 VAL 42 1HG1 VAL 42 3.409 7.097 -5.427 332 2HG1 VAL 42 2HG1 VAL 42 4.158 8.654 -5.066 333 3HG1 VAL 42 3HG1 VAL 42 4.518 7.248 -4.064 334 1HG2 VAL 42 1HG2 VAL 42 1.746 8.906 -5.520 335 2HG2 VAL 42 2HG2 VAL 42 0.571 8.606 -4.240 336 3HG2 VAL 42 3HG2 VAL 42 1.663 9.987 -4.129 337 H TYR 43 H TYR 43 3.019 4.831 -4.303 338 HA TYR 43 HA TYR 43 4.978 4.422 -2.164 339 1HB TYR 43 1HB TYR 43 3.237 2.225 -3.305 340 2HB TYR 43 2HB TYR 43 4.554 1.999 -2.158 341 HD1 TYR 43 1HD TYR 43 4.174 2.187 0.150 342 HD2 TYR 43 2HD TYR 43 1.237 3.619 -2.575 343 HE1 TYR 43 1HE TYR 43 2.609 2.514 2.019 344 HE2 TYR 43 2HE TYR 43 -0.336 3.951 -0.714 345 HH TYR 43 HH TYR 43 -0.064 2.585 2.189 346 H THR 44 H THR 44 6.778 3.043 -2.809 347 HA THR 44 HA THR 44 7.214 3.091 -5.725 348 HB THR 44 HB THR 44 9.588 3.071 -3.956 349 HG1 THR 44 1HG THR 44 9.078 4.859 -2.964 350 1HG2 THR 44 1HG2 THR 44 9.778 3.132 -6.396 351 2HG2 THR 44 2HG2 THR 44 10.439 4.598 -5.672 352 3HG2 THR 44 3HG2 THR 44 8.850 4.631 -6.435 353 H VAL 45 H VAL 45 8.037 1.297 -6.702 354 HA VAL 45 HA VAL 45 8.527 -1.043 -4.975 355 HB VAL 45 HB VAL 45 7.287 -1.002 -7.730 356 1HG1 VAL 45 1HG1 VAL 45 8.576 -2.973 -7.610 357 2HG1 VAL 45 2HG1 VAL 45 8.111 -3.267 -5.933 358 3HG1 VAL 45 3HG1 VAL 45 6.926 -3.460 -7.225 359 1HG2 VAL 45 1HG2 VAL 45 5.516 -0.431 -6.416 360 2HG2 VAL 45 2HG2 VAL 45 5.446 -2.184 -6.227 361 3HG2 VAL 45 3HG2 VAL 45 6.195 -1.191 -4.977 362 H GLU 46 H GLU 46 10.554 -1.730 -5.043 363 HA GLU 46 HA GLU 46 12.501 -0.751 -6.807 364 1HB GLU 46 1HB GLU 46 12.443 -2.384 -4.518 365 2HB GLU 46 2HB GLU 46 13.230 -3.340 -5.765 366 1HG GLU 46 1HG GLU 46 14.329 -0.756 -5.920 367 2HG GLU 46 2HG GLU 46 14.276 -1.188 -4.212 368 H SER 47 H SER 47 13.985 -2.819 -7.746 369 HA SER 47 HA SER 47 12.457 -3.614 -10.064 370 1HB SER 47 1HB SER 47 14.720 -2.838 -10.423 371 2HB SER 47 2HB SER 47 15.355 -4.049 -9.310 372 HG SER 47 HG SER 47 15.088 -4.318 -11.869 373 H GLY 48 H GLY 48 13.611 -5.057 -7.126 374 1HA GLY 48 2HA GLY 48 12.711 -7.701 -8.089 375 2HA GLY 48 1HA GLY 48 13.930 -7.467 -6.845 376 H THR 49 H THR 49 10.506 -6.847 -7.554 377 HA THR 49 HA THR 49 9.905 -7.479 -4.749 378 HB THR 49 HB THR 49 8.242 -5.386 -6.057 379 HG1 THR 49 1HG THR 49 10.118 -4.361 -6.421 380 1HG2 THR 49 1HG2 THR 49 8.433 -4.519 -3.628 381 2HG2 THR 49 2HG2 THR 49 9.111 -6.110 -3.279 382 3HG2 THR 49 3HG2 THR 49 7.479 -5.970 -3.933 383 H GLU 50 H GLU 50 7.999 -8.575 -4.397 384 HA GLU 50 HA GLU 50 6.667 -9.571 -6.818 385 1HB GLU 50 1HB GLU 50 6.409 -10.768 -4.070 386 2HB GLU 50 2HB GLU 50 6.108 -11.528 -5.626 387 1HG GLU 50 1HG GLU 50 8.137 -12.398 -5.487 388 2HG GLU 50 2HG GLU 50 8.773 -10.773 -5.735 389 H VAL 51 H VAL 51 4.301 -10.196 -6.426 390 HA VAL 51 HA VAL 51 2.863 -7.833 -5.790 391 HB VAL 51 HB VAL 51 1.648 -10.572 -6.100 392 1HG1 VAL 51 1HG1 VAL 51 -0.297 -9.501 -6.091 393 2HG1 VAL 51 2HG1 VAL 51 0.567 -8.023 -5.660 394 3HG1 VAL 51 3HG1 VAL 51 0.252 -8.401 -7.355 395 1HG2 VAL 51 1HG2 VAL 51 3.220 -10.213 -7.936 396 2HG2 VAL 51 2HG2 VAL 51 1.552 -10.157 -8.507 397 3HG2 VAL 51 3HG2 VAL 51 2.461 -8.661 -8.289 398 H THR 52 H THR 52 4.034 -10.361 -3.877 399 HA THR 52 HA THR 52 1.979 -10.075 -1.826 400 HB THR 52 HB THR 52 2.700 -12.334 -2.190 401 HG1 THR 52 1HG THR 52 2.337 -11.970 -0.030 402 1HG2 THR 52 1HG2 THR 52 5.076 -12.991 -1.756 403 2HG2 THR 52 2HG2 THR 52 5.488 -11.276 -1.725 404 3HG2 THR 52 3HG2 THR 52 4.851 -12.004 -3.199 405 H GLU 53 H GLU 53 5.240 -9.087 -2.525 406 HA GLU 53 HA GLU 53 6.110 -8.422 0.053 407 1HB GLU 53 1HB GLU 53 7.243 -8.355 -2.404 408 2HB GLU 53 2HB GLU 53 6.956 -6.639 -2.150 409 1HG GLU 53 1HG GLU 53 8.599 -6.466 -0.656 410 2HG GLU 53 2HG GLU 53 8.145 -7.963 0.157 411 H PHE 54 H PHE 54 3.918 -6.830 -2.115 412 HA PHE 54 HA PHE 54 4.002 -4.292 -0.761 413 1HB PHE 54 1HB PHE 54 1.796 -5.194 -2.598 414 2HB PHE 54 2HB PHE 54 2.399 -3.563 -2.323 415 HD1 PHE 54 1HD PHE 54 2.175 -5.875 -4.747 416 HD2 PHE 54 2HD PHE 54 5.179 -3.621 -2.742 417 HE1 PHE 54 1HE PHE 54 3.644 -6.093 -6.708 418 HE2 PHE 54 2HE PHE 54 6.652 -3.836 -4.701 419 HZ PHE 54 HZ PHE 54 5.885 -5.072 -6.688 420 H ALA 55 H ALA 55 2.361 -7.272 -0.343 421 HA ALA 55 HA ALA 55 0.120 -6.189 1.110 422 1HB ALA 55 1HB ALA 55 -0.672 -8.149 0.405 423 2HB ALA 55 2HB ALA 55 0.945 -8.792 0.118 424 3HB ALA 55 3HB ALA 55 0.239 -8.872 1.732 425 H CYS 56 H CYS 56 3.353 -6.995 1.827 426 HA CYS 56 HA CYS 56 2.773 -7.197 4.700 427 1HB CYS 56 1HB CYS 56 4.898 -8.230 4.978 428 2HB CYS 56 2HB CYS 56 4.168 -8.981 3.564 429 HG CYS 56 HG CYS 56 6.861 -8.713 3.014 430 H VAL 57 H VAL 57 3.557 -4.935 2.443 431 HA VAL 57 HA VAL 57 5.242 -3.376 4.281 432 HB VAL 57 HB VAL 57 5.965 -3.798 1.857 433 1HG1 VAL 57 1HG1 VAL 57 4.265 -1.470 1.127 434 2HG1 VAL 57 2HG1 VAL 57 4.927 -2.751 0.110 435 3HG1 VAL 57 3HG1 VAL 57 3.531 -3.073 1.139 436 1HG2 VAL 57 1HG2 VAL 57 7.061 -2.174 3.277 437 2HG2 VAL 57 2HG2 VAL 57 6.887 -1.517 1.650 438 3HG2 VAL 57 3HG2 VAL 57 5.803 -0.985 2.936 439 H VAL 58 H VAL 58 2.151 -3.490 2.716 440 HA VAL 58 HA VAL 58 1.500 -0.731 3.305 441 HB VAL 58 HB VAL 58 -0.230 -2.979 2.265 442 1HG1 VAL 58 1HG1 VAL 58 -1.361 -0.538 1.565 443 2HG1 VAL 58 2HG1 VAL 58 -1.957 -1.671 2.779 444 3HG1 VAL 58 3HG1 VAL 58 -0.895 -0.346 3.255 445 1HG2 VAL 58 1HG2 VAL 58 0.740 -0.607 0.709 446 2HG2 VAL 58 2HG2 VAL 58 1.721 -2.065 0.857 447 3HG2 VAL 58 3HG2 VAL 58 0.123 -2.149 0.114 448 H ALA 59 H ALA 59 0.630 -3.942 4.516 449 HA ALA 59 HA ALA 59 -1.346 -3.249 6.329 450 1HB ALA 59 1HB ALA 59 0.590 -5.326 7.173 451 2HB ALA 59 2HB ALA 59 -1.172 -5.370 7.120 452 3HB ALA 59 3HB ALA 59 -0.241 -5.567 5.636 453 H GLU 60 H GLU 60 2.086 -2.755 6.501 454 HA GLU 60 HA GLU 60 1.953 -2.037 9.331 455 1HB GLU 60 1HB GLU 60 4.403 -1.826 9.174 456 2HB GLU 60 2HB GLU 60 3.841 -3.407 8.650 457 1HG GLU 60 1HG GLU 60 4.492 -3.088 6.512 458 2HG GLU 60 2HG GLU 60 4.148 -1.359 6.548 459 H ALA 61 H ALA 61 2.027 -0.601 6.201 460 HA ALA 61 HA ALA 61 2.910 1.992 7.119 461 1HB ALA 61 1HB ALA 61 2.384 0.716 4.556 462 2HB ALA 61 2HB ALA 61 1.816 2.385 4.628 463 3HB ALA 61 3HB ALA 61 3.506 2.013 4.968 464 H VAL 62 H VAL 62 0.135 0.358 7.574 465 HA VAL 62 HA VAL 62 -1.598 2.714 7.268 466 HB VAL 62 HB VAL 62 -3.469 1.067 7.688 467 1HG1 VAL 62 1HG1 VAL 62 -3.097 -0.043 5.357 468 2HG1 VAL 62 2HG1 VAL 62 -3.303 1.706 5.478 469 3HG1 VAL 62 3HG1 VAL 62 -1.690 1.017 5.290 470 1HG2 VAL 62 1HG2 VAL 62 -2.990 -1.301 7.348 471 2HG2 VAL 62 2HG2 VAL 62 -1.266 -0.946 7.234 472 3HG2 VAL 62 3HG2 VAL 62 -2.122 -0.680 8.753 473 H VAL 63 H VAL 63 -0.344 0.402 9.581 474 HA VAL 63 HA VAL 63 -1.989 1.073 11.768 475 HB VAL 63 HB VAL 63 0.828 -0.016 11.731 476 1HG1 VAL 63 1HG1 VAL 63 -0.741 0.967 13.914 477 2HG1 VAL 63 2HG1 VAL 63 -0.514 -0.774 14.084 478 3HG1 VAL 63 3HG1 VAL 63 0.886 0.288 13.929 479 1HG2 VAL 63 1HG2 VAL 63 -1.290 -1.260 10.749 480 2HG2 VAL 63 2HG2 VAL 63 -0.058 -2.122 11.671 481 3HG2 VAL 63 3HG2 VAL 63 -1.561 -1.631 12.452 482 H LYS 64 H LYS 64 1.482 1.815 11.619 483 HA LYS 64 HA LYS 64 1.487 3.837 13.492 484 1HB LYS 64 1HB LYS 64 3.584 4.628 12.367 485 2HB LYS 64 2HB LYS 64 3.561 2.910 12.742 486 1HG LYS 64 1HG LYS 64 2.518 3.106 10.163 487 2HG LYS 64 2HG LYS 64 3.879 4.230 10.207 488 1HD LYS 64 1HD LYS 64 4.068 1.394 11.199 489 2HD LYS 64 2HD LYS 64 4.414 1.849 9.529 490 1HE LYS 64 1HE LYS 64 5.752 3.349 11.725 491 2HE LYS 64 2HE LYS 64 6.322 1.724 11.346 492 1HZ LYS 64 1HZ LYS 64 7.155 3.950 10.109 493 2HZ LYS 64 2HZ LYS 64 5.939 3.437 9.051 494 3HZ LYS 64 3HZ LYS 64 7.223 2.402 9.428 495 H THR 65 H THR 65 0.801 4.029 10.044 496 HA THR 65 HA THR 65 0.735 6.865 9.897 497 HB THR 65 HB THR 65 -0.568 4.810 8.101 498 HG1 THR 65 1HG THR 65 1.640 4.595 7.988 499 1HG2 THR 65 1HG2 THR 65 -0.009 7.121 6.648 500 2HG2 THR 65 2HG2 THR 65 -0.730 7.698 8.151 501 3HG2 THR 65 3HG2 THR 65 -1.599 6.542 7.142 502 H LEU 66 H LEU 66 -1.596 4.429 10.786 503 HA LEU 66 HA LEU 66 -3.575 6.561 11.252 504 1HB LEU 66 1HB LEU 66 -4.238 3.700 10.598 505 2HB LEU 66 2HB LEU 66 -5.349 5.064 10.711 506 HG LEU 66 HG LEU 66 -3.346 4.480 8.541 507 1HD1 LEU 66 1HD1 LEU 66 -5.950 3.700 8.834 508 2HD1 LEU 66 2HD1 LEU 66 -5.092 3.846 7.300 509 3HD1 LEU 66 3HD1 LEU 66 -6.103 5.172 7.875 510 1HD2 LEU 66 1HD2 LEU 66 -3.063 6.717 8.487 511 2HD2 LEU 66 2HD2 LEU 66 -4.542 7.037 9.392 512 3HD2 LEU 66 3HD2 LEU 66 -4.623 6.681 7.666 513 H GLN 67 H GLN 67 -2.102 6.379 13.305 514 HA GLN 67 HA GLN 67 -3.481 4.570 15.175 515 1HB GLN 67 1HB GLN 67 -0.576 5.049 14.779 516 2HB GLN 67 2HB GLN 67 -1.139 4.876 16.437 517 1HG GLN 67 1HG GLN 67 -2.301 2.811 14.860 518 2HG GLN 67 2HG GLN 67 -0.565 2.855 14.556 519 1HE2 GLN 67 1HE2 GLN 67 0.793 2.075 16.053 520 2HE2 GLN 67 2HE2 GLN 67 0.313 1.467 17.597 521 HA PRO 68 HA PRO 68 -3.287 9.195 16.421 522 1HB PRO 68 1HB PRO 68 -5.760 9.979 15.621 523 2HB PRO 68 2HB PRO 68 -4.328 10.118 14.593 524 1HG PRO 68 1HG PRO 68 -6.466 8.022 14.590 525 2HG PRO 68 2HG PRO 68 -5.693 8.834 13.216 526 1HD PRO 68 1HD PRO 68 -4.992 6.345 14.020 527 2HD PRO 68 2HD PRO 68 -3.830 7.479 13.302 528 H VAL 69 H VAL 69 -6.223 7.167 16.324 529 HA VAL 69 HA VAL 69 -6.331 7.149 19.222 530 HB VAL 69 HB VAL 69 -8.816 7.804 19.116 531 1HG1 VAL 69 1HG1 VAL 69 -8.225 9.806 19.959 532 2HG1 VAL 69 2HG1 VAL 69 -6.584 9.184 19.776 533 3HG1 VAL 69 3HG1 VAL 69 -7.271 10.240 18.541 534 1HG2 VAL 69 1HG2 VAL 69 -8.925 7.756 16.633 535 2HG2 VAL 69 2HG2 VAL 69 -9.488 9.273 17.335 536 3HG2 VAL 69 3HG2 VAL 69 -7.888 9.182 16.599 537 H SER 70 H SER 70 -5.776 4.944 18.078 538 HA SER 70 HA SER 70 -7.884 3.451 16.927 539 1HB SER 70 1HB SER 70 -6.201 1.572 18.060 540 2HB SER 70 2HB SER 70 -6.031 2.263 16.447 541 HG SER 70 HG SER 70 -4.202 2.997 17.160 542 H ASP 71 H ASP 71 -7.327 4.458 20.098 543 HA ASP 71 HA ASP 71 -8.314 2.293 21.593 544 1HB ASP 71 1HB ASP 71 -8.629 5.218 22.283 545 2HB ASP 71 2HB ASP 71 -8.593 3.856 23.399 546 H LEU 72 H LEU 72 -9.888 4.445 19.473 547 HA LEU 72 HA LEU 72 -12.516 3.946 20.662 548 1HB LEU 72 1HB LEU 72 -13.350 5.679 19.315 549 2HB LEU 72 2HB LEU 72 -11.790 6.243 19.908 550 HG LEU 72 HG LEU 72 -10.981 5.266 17.572 551 1HD1 LEU 72 1HD1 LEU 72 -13.915 5.571 17.330 552 2HD1 LEU 72 2HD1 LEU 72 -12.812 4.480 16.492 553 3HD1 LEU 72 3HD1 LEU 72 -12.928 6.168 15.996 554 1HD2 LEU 72 1HD2 LEU 72 -12.381 7.922 17.650 555 2HD2 LEU 72 2HD2 LEU 72 -10.916 7.473 16.776 556 3HD2 LEU 72 3HD2 LEU 72 -10.884 7.624 18.534 557 H LEU 73 H LEU 73 -10.621 3.297 17.772 558 HA LEU 73 HA LEU 73 -12.640 2.192 16.175 559 1HB LEU 73 1HB LEU 73 -9.778 1.271 16.204 560 2HB LEU 73 2HB LEU 73 -10.908 1.260 14.851 561 HG LEU 73 HG LEU 73 -9.692 3.716 16.114 562 1HD1 LEU 73 1HD1 LEU 73 -8.692 3.844 13.738 563 2HD1 LEU 73 2HD1 LEU 73 -9.039 2.116 13.671 564 3HD1 LEU 73 3HD1 LEU 73 -7.960 2.751 14.913 565 1HD2 LEU 73 1HD2 LEU 73 -10.881 4.066 13.516 566 2HD2 LEU 73 2HD2 LEU 73 -11.182 4.943 15.016 567 3HD2 LEU 73 3HD2 LEU 73 -12.068 3.457 14.669 568 H THR 74 H THR 74 -10.756 0.847 18.795 569 HA THR 74 HA THR 74 -11.440 -1.879 18.312 570 HB THR 74 HB THR 74 -10.790 -1.007 21.078 571 HG1 THR 74 1HG THR 74 -8.667 -1.134 19.245 572 1HG2 THR 74 1HG2 THR 74 -10.125 -3.267 19.237 573 2HG2 THR 74 2HG2 THR 74 -10.775 -3.310 20.875 574 3HG2 THR 74 3HG2 THR 74 -9.075 -2.925 20.611 575 H ASN 75 H ASN 75 -13.122 0.768 19.649 576 HA ASN 75 HA ASN 75 -14.836 -0.735 21.393 577 1HB ASN 75 1HB ASN 75 -15.131 2.064 20.280 578 2HB ASN 75 2HB ASN 75 -16.124 1.369 21.558 579 1HD2 ASN 75 1HD2 ASN 75 -14.666 3.711 21.866 580 2HD2 ASN 75 2HD2 ASN 75 -13.418 3.440 23.029 581 H MET 76 H MET 76 -14.776 0.039 18.036 582 HA MET 76 HA MET 76 -17.581 -0.753 17.709 583 1HB MET 76 1HB MET 76 -17.225 0.010 15.333 584 2HB MET 76 2HB MET 76 -17.090 1.270 16.553 585 1HG MET 76 1HG MET 76 -14.724 1.291 16.392 586 2HG MET 76 2HG MET 76 -14.717 -0.170 15.407 587 1HE MET 76 1HE MET 76 -15.553 4.022 14.804 588 2HE MET 76 2HE MET 76 -14.323 3.182 15.748 589 3HE MET 76 3HE MET 76 -13.967 3.701 14.100 590 H GLY 77 H GLY 77 -14.328 -1.810 17.151 591 1HA GLY 77 2HA GLY 77 -14.443 -4.393 16.991 592 2HA GLY 77 1HA GLY 77 -15.275 -4.039 15.484 593 H ILE 78 H ILE 78 -13.729 -1.824 14.665 594 HA ILE 78 HA ILE 78 -11.681 -3.064 13.253 595 HB ILE 78 HB ILE 78 -11.991 -0.147 13.967 596 1HG1 ILE 78 1HG1 ILE 78 -12.637 -1.625 11.408 597 2HG1 ILE 78 2HG1 ILE 78 -13.824 -1.199 12.635 598 1HG2 ILE 78 1HG2 ILE 78 -9.732 -0.360 13.390 599 2HG2 ILE 78 2HG2 ILE 78 -10.074 -1.544 12.130 600 3HG2 ILE 78 3HG2 ILE 78 -10.522 0.145 11.896 601 1HD1 ILE 78 1HD1 ILE 78 -13.173 1.195 12.285 602 2HD1 ILE 78 2HD1 ILE 78 -12.228 0.655 10.897 603 3HD1 ILE 78 3HD1 ILE 78 -13.975 0.418 10.921 604 H ASP 79 H ASP 79 -9.931 -4.008 14.056 605 HA ASP 79 HA ASP 79 -8.692 -2.938 16.483 606 1HB ASP 79 1HB ASP 79 -9.216 -5.534 15.651 607 2HB ASP 79 2HB ASP 79 -7.485 -5.353 15.381 608 H LEU 80 H LEU 80 -6.658 -2.119 16.546 609 HA LEU 80 HA LEU 80 -5.431 -1.486 13.983 610 1HB LEU 80 1HB LEU 80 -5.760 -0.079 16.329 611 2HB LEU 80 2HB LEU 80 -4.060 -0.544 16.375 612 HG LEU 80 HG LEU 80 -4.416 1.697 15.421 613 1HD1 LEU 80 1HD1 LEU 80 -2.505 0.240 14.755 614 2HD1 LEU 80 2HD1 LEU 80 -2.963 1.438 13.545 615 3HD1 LEU 80 3HD1 LEU 80 -3.438 -0.248 13.340 616 1HD2 LEU 80 1HD2 LEU 80 -6.482 0.351 13.989 617 2HD2 LEU 80 2HD2 LEU 80 -5.337 1.035 12.834 618 3HD2 LEU 80 3HD2 LEU 80 -6.105 2.074 14.035 619 H ASP 81 H ASP 81 -4.842 -3.404 16.839 620 HA ASP 81 HA ASP 81 -2.094 -3.927 16.367 621 1HB ASP 81 1HB ASP 81 -3.953 -4.528 18.370 622 2HB ASP 81 2HB ASP 81 -3.447 -6.092 17.736 623 H GLU 82 H GLU 82 -5.042 -5.266 15.117 624 HA GLU 82 HA GLU 82 -3.882 -7.689 14.124 625 1HB GLU 82 1HB GLU 82 -5.983 -8.178 13.246 626 2HB GLU 82 2HB GLU 82 -6.363 -7.192 14.651 627 1HG GLU 82 1HG GLU 82 -6.366 -5.224 12.985 628 2HG GLU 82 2HG GLU 82 -6.505 -6.476 11.753 629 H TRP 83 H TRP 83 -4.348 -4.452 12.908 630 HA TRP 83 HA TRP 83 -4.099 -4.825 10.181 631 1HB TRP 83 1HB TRP 83 -3.251 -2.598 12.011 632 2HB TRP 83 2HB TRP 83 -2.900 -2.520 10.286 633 HD1 TRP 83 HD TRP 83 -6.183 -4.136 11.203 634 HE1 TRP 83 1HE TRP 83 -8.116 -2.552 10.587 635 HE3 TRP 83 3HE TRP 83 -3.478 0.070 10.135 636 HZ2 TRP 83 2HZ TRP 83 -8.450 0.126 9.757 637 HZ3 TRP 83 3HZ TRP 83 -4.681 2.100 9.437 638 HH2 TRP 83 HH TRP 83 -7.115 2.125 9.252 639 H SER 84 H SER 84 -1.622 -4.871 12.665 640 HA SER 84 HA SER 84 0.572 -4.902 10.816 641 1HB SER 84 1HB SER 84 0.220 -4.936 13.731 642 2HB SER 84 2HB SER 84 1.588 -5.896 13.168 643 HG SER 84 HG SER 84 2.293 -4.023 12.019 644 H VAL 85 H VAL 85 -1.459 -7.273 12.345 645 HA VAL 85 HA VAL 85 0.181 -9.422 11.169 646 HB VAL 85 HB VAL 85 -0.806 -10.949 12.803 647 1HG1 VAL 85 1HG1 VAL 85 0.051 -9.426 14.899 648 2HG1 VAL 85 2HG1 VAL 85 1.101 -10.344 13.818 649 3HG1 VAL 85 3HG1 VAL 85 0.822 -8.626 13.530 650 1HG2 VAL 85 1HG2 VAL 85 -1.909 -9.009 14.621 651 2HG2 VAL 85 2HG2 VAL 85 -2.747 -8.953 13.070 652 3HG2 VAL 85 3HG2 VAL 85 -2.644 -10.471 13.962 653 H ALA 86 H ALA 86 -1.651 -7.970 9.605 654 HA ALA 86 HA ALA 86 -3.802 -9.946 9.201 655 1HB ALA 86 1HB ALA 86 -5.231 -8.251 9.204 656 2HB ALA 86 2HB ALA 86 -3.908 -7.105 9.419 657 3HB ALA 86 3HB ALA 86 -4.413 -7.574 7.795 658 H THR 87 H THR 87 -4.635 -9.444 6.724 659 HA THR 87 HA THR 87 -2.248 -9.693 5.015 660 HB THR 87 HB THR 87 -4.738 -11.205 4.336 661 HG1 THR 87 1HG THR 87 -2.763 -11.991 6.233 662 1HG2 THR 87 1HG2 THR 87 -2.873 -12.803 3.527 663 2HG2 THR 87 2HG2 THR 87 -1.802 -11.421 3.757 664 3HG2 THR 87 3HG2 THR 87 -3.152 -11.312 2.629 665 H PHE 88 H PHE 88 -2.220 -7.922 3.787 666 HA PHE 88 HA PHE 88 -4.755 -6.845 2.776 667 1HB PHE 88 1HB PHE 88 -1.999 -5.637 3.026 668 2HB PHE 88 2HB PHE 88 -3.313 -4.853 2.154 669 HD1 PHE 88 1HD PHE 88 -4.593 -3.325 3.287 670 HD2 PHE 88 2HD PHE 88 -2.641 -6.407 5.478 671 HE1 PHE 88 1HE PHE 88 -5.399 -2.335 5.391 672 HE2 PHE 88 2HE PHE 88 -3.444 -5.423 7.585 673 HZ PHE 88 HZ PHE 88 -4.825 -3.385 7.543 674 H TYR 89 H TYR 89 -4.850 -8.652 1.236 675 HA TYR 89 HA TYR 89 -2.967 -9.149 -0.752 676 1HB TYR 89 1HB TYR 89 -5.978 -9.381 -0.933 677 2HB TYR 89 2HB TYR 89 -4.829 -10.135 -2.033 678 HD1 TYR 89 1HD TYR 89 -3.544 -12.075 -1.354 679 HD2 TYR 89 2HD TYR 89 -6.273 -10.224 1.335 680 HE1 TYR 89 1HE TYR 89 -3.425 -14.045 0.114 681 HE2 TYR 89 2HE TYR 89 -6.161 -12.188 2.811 682 HH TYR 89 HH TYR 89 -5.039 -15.108 1.901 683 H LEU 90 H LEU 90 -2.587 -8.337 -2.775 684 HA LEU 90 HA LEU 90 -3.708 -5.684 -3.304 685 1HB LEU 90 1HB LEU 90 -1.328 -7.085 -4.512 686 2HB LEU 90 2HB LEU 90 -1.843 -5.442 -4.887 687 HG LEU 90 HG LEU 90 -0.043 -5.173 -3.425 688 1HD1 LEU 90 1HD1 LEU 90 -0.969 -4.149 -1.482 689 2HD1 LEU 90 2HD1 LEU 90 -2.430 -5.130 -1.591 690 3HD1 LEU 90 3HD1 LEU 90 -2.102 -3.900 -2.810 691 1HD2 LEU 90 1HD2 LEU 90 -0.916 -6.772 -1.163 692 2HD2 LEU 90 2HD2 LEU 90 0.656 -6.701 -1.960 693 3HD2 LEU 90 3HD2 LEU 90 -0.613 -7.746 -2.602 694 H PHE 91 H PHE 91 -4.214 -5.106 -5.549 695 HA PHE 91 HA PHE 91 -4.650 -7.108 -7.518 696 1HB PHE 91 1HB PHE 91 -6.830 -6.497 -5.633 697 2HB PHE 91 2HB PHE 91 -7.286 -6.424 -7.332 698 HD1 PHE 91 1HD PHE 91 -6.340 -8.486 -8.753 699 HD2 PHE 91 2HD PHE 91 -7.098 -8.502 -4.565 700 HE1 PHE 91 1HE PHE 91 -6.549 -10.937 -8.804 701 HE2 PHE 91 2HE PHE 91 -7.307 -10.953 -4.609 702 HZ PHE 91 HZ PHE 91 -7.032 -12.174 -6.729 703 H ASP 92 H ASP 92 -6.074 -6.191 -9.344 704 HA ASP 92 HA ASP 92 -5.557 -3.297 -9.568 705 1HB ASP 92 1HB ASP 92 -4.294 -5.113 -11.055 706 2HB ASP 92 2HB ASP 92 -5.762 -4.978 -12.019 707 H ASP 93 H ASP 93 -6.900 -2.679 -11.821 708 HA ASP 93 HA ASP 93 -9.621 -2.696 -10.927 709 1HB ASP 93 1HB ASP 93 -8.082 -1.042 -12.542 710 2HB ASP 93 2HB ASP 93 -9.222 -1.779 -13.665 711 H ALA 94 H ALA 94 -7.774 -4.828 -12.749 712 HA ALA 94 HA ALA 94 -10.104 -5.852 -14.215 713 1HB ALA 94 1HB ALA 94 -8.656 -6.865 -15.725 714 2HB ALA 94 2HB ALA 94 -7.846 -5.344 -15.347 715 3HB ALA 94 3HB ALA 94 -7.303 -6.843 -14.593 716 H GLY 95 H GLY 95 -8.496 -6.326 -11.355 717 1HA GLY 95 2HA GLY 95 -8.931 -7.951 -9.746 718 2HA GLY 95 1HA GLY 95 -9.774 -8.895 -10.966 719 H GLU 96 H GLU 96 -6.519 -7.679 -11.400 720 HA GLU 96 HA GLU 96 -5.505 -10.430 -11.108 721 1HB GLU 96 1HB GLU 96 -3.996 -10.041 -12.979 722 2HB GLU 96 2HB GLU 96 -5.664 -9.803 -13.480 723 1HG GLU 96 1HG GLU 96 -5.280 -7.330 -13.093 724 2HG GLU 96 2HG GLU 96 -3.566 -7.721 -12.967 725 H GLU 97 H GLU 97 -3.682 -10.694 -9.944 726 HA GLU 97 HA GLU 97 -2.690 -8.436 -8.458 727 1HB GLU 97 1HB GLU 97 -2.346 -11.384 -8.371 728 2HB GLU 97 2HB GLU 97 -1.037 -10.413 -7.711 729 1HG GLU 97 1HG GLU 97 -2.252 -9.724 -5.940 730 2HG GLU 97 2HG GLU 97 -3.763 -9.691 -6.847 731 H ASN 98 H ASN 98 -1.788 -7.189 -10.184 732 HA ASN 98 HA ASN 98 0.872 -8.150 -10.996 733 1HB ASN 98 1HB ASN 98 -1.122 -6.642 -12.699 734 2HB ASN 98 2HB ASN 98 0.558 -6.917 -13.150 735 1HD2 ASN 98 1HD2 ASN 98 -2.026 -7.794 -14.337 736 2HD2 ASN 98 2HD2 ASN 98 -1.886 -9.509 -14.488 737 H PHE 99 H PHE 99 2.317 -6.318 -11.687 738 HA PHE 99 HA PHE 99 2.293 -4.308 -9.639 739 1HB PHE 99 1HB PHE 99 4.157 -4.545 -12.007 740 2HB PHE 99 2HB PHE 99 4.438 -3.631 -10.530 741 HD1 PHE 99 1HD PHE 99 6.264 -5.733 -11.714 742 HD2 PHE 99 2HD PHE 99 3.161 -5.960 -8.809 743 HE1 PHE 99 1HE PHE 99 7.352 -7.699 -10.710 744 HE2 PHE 99 2HE PHE 99 4.244 -7.926 -7.801 745 HZ PHE 99 HZ PHE 99 6.343 -8.797 -8.751 746 H SER 100 H SER 100 0.061 -3.669 -10.677 747 HA SER 100 HA SER 100 0.313 -1.858 -12.926 748 1HB SER 100 1HB SER 100 -1.807 -3.328 -11.714 749 2HB SER 100 2HB SER 100 -2.235 -1.618 -11.665 750 HG SER 100 HG SER 100 -1.456 -1.738 -14.001 751 H SER 101 H SER 101 -0.346 0.372 -12.831 752 HA SER 101 HA SER 101 0.934 1.875 -10.901 753 1HB SER 101 1HB SER 101 -0.722 2.388 -13.176 754 2HB SER 101 2HB SER 101 -1.251 3.428 -11.854 755 HG SER 101 HG SER 101 0.441 4.592 -12.236 756 H ARG 102 H ARG 102 -2.263 0.504 -10.859 757 HA ARG 102 HA ARG 102 -2.749 1.776 -8.245 758 1HB ARG 102 1HB ARG 102 -4.421 2.506 -9.803 759 2HB ARG 102 2HB ARG 102 -4.702 0.861 -10.356 760 1HG ARG 102 1HG ARG 102 -6.291 0.608 -8.842 761 2HG ARG 102 2HG ARG 102 -5.134 0.940 -7.551 762 1HD ARG 102 1HD ARG 102 -6.804 2.933 -9.073 763 2HD ARG 102 2HD ARG 102 -6.942 2.502 -7.369 764 HE ARG 102 HE ARG 102 -4.415 3.419 -7.545 765 1HH1 ARG 102 2HH1 ARG 102 -7.477 4.711 -8.581 766 2HH1 ARG 102 1HH1 ARG 102 -6.992 6.363 -8.389 767 1HH2 ARG 102 2HH2 ARG 102 -3.765 5.590 -7.288 768 2HH2 ARG 102 1HH2 ARG 102 -4.880 6.862 -7.655 769 H MET 103 H MET 103 -2.840 0.480 -6.529 770 HA MET 103 HA MET 103 -3.315 -2.393 -6.969 771 1HB MET 103 1HB MET 103 -1.076 -1.032 -5.677 772 2HB MET 103 2HB MET 103 -1.810 -2.262 -4.656 773 1HG MET 103 1HG MET 103 -1.251 -3.976 -6.083 774 2HG MET 103 2HG MET 103 -1.135 -2.913 -7.484 775 1HE MET 103 1HE MET 103 0.666 -1.569 -4.231 776 2HE MET 103 2HE MET 103 0.294 -3.264 -3.915 777 3HE MET 103 3HE MET 103 1.972 -2.748 -4.093 778 H TYR 104 H TYR 104 -5.268 -2.822 -6.170 779 HA TYR 104 HA TYR 104 -6.392 -1.305 -3.996 780 1HB TYR 104 1HB TYR 104 -7.396 -3.675 -5.576 781 2HB TYR 104 2HB TYR 104 -8.311 -2.932 -4.269 782 HD1 TYR 104 1HD TYR 104 -8.595 -3.191 -7.511 783 HD2 TYR 104 2HD TYR 104 -7.807 -0.071 -4.728 784 HE1 TYR 104 1HE TYR 104 -9.518 -1.553 -9.096 785 HE2 TYR 104 2HE TYR 104 -8.728 1.576 -6.305 786 HH TYR 104 HH TYR 104 -9.877 0.600 -9.519 787 H CYS 105 H CYS 105 -6.237 -1.756 -1.906 788 HA CYS 105 HA CYS 105 -4.980 -4.247 -1.079 789 1HB CYS 105 1HB CYS 105 -5.285 -1.551 0.048 790 2HB CYS 105 2HB CYS 105 -5.453 -2.844 1.229 791 HG CYS 105 HG CYS 105 -2.932 -4.006 0.323 792 H SER 106 H SER 106 -6.495 -5.844 -1.181 793 HA SER 106 HA SER 106 -9.076 -5.423 0.131 794 1HB SER 106 1HB SER 106 -9.183 -7.970 -0.846 795 2HB SER 106 2HB SER 106 -9.683 -6.538 -1.745 796 HG SER 106 HG SER 106 -8.255 -7.659 -3.020 797 H PHE 107 H PHE 107 -9.766 -6.593 1.883 798 HA PHE 107 HA PHE 107 -7.696 -7.718 3.545 799 1HB PHE 107 1HB PHE 107 -9.363 -7.802 5.276 800 2HB PHE 107 2HB PHE 107 -9.541 -6.270 4.428 801 HD1 PHE 107 1HD PHE 107 -11.508 -5.765 3.174 802 HD2 PHE 107 2HD PHE 107 -11.006 -9.592 4.969 803 HE1 PHE 107 1HE PHE 107 -13.884 -6.261 2.774 804 HE2 PHE 107 2HE PHE 107 -13.381 -10.094 4.570 805 HZ PHE 107 HZ PHE 107 -14.824 -8.428 3.471 806 H TYR 108 H TYR 108 -9.597 -8.933 1.121 807 HA TYR 108 HA TYR 108 -9.651 -11.631 2.297 808 1HB TYR 108 1HB TYR 108 -11.390 -12.183 0.704 809 2HB TYR 108 2HB TYR 108 -11.845 -10.720 1.570 810 HD1 TYR 108 1HD TYR 108 -11.240 -12.198 -1.644 811 HD2 TYR 108 2HD TYR 108 -11.510 -8.486 0.418 812 HE1 TYR 108 1HE TYR 108 -11.564 -11.038 -3.788 813 HE2 TYR 108 2HE TYR 108 -11.835 -7.315 -1.720 814 HH TYR 108 HH TYR 108 -11.075 -8.041 -4.349 815 HA PRO 109 HA PRO 109 -6.624 -13.070 -0.537 816 1HB PRO 109 1HB PRO 109 -7.463 -15.617 -0.958 817 2HB PRO 109 2HB PRO 109 -6.729 -15.086 0.560 818 1HG PRO 109 1HG PRO 109 -9.621 -15.453 -0.118 819 2HG PRO 109 2HG PRO 109 -8.751 -15.915 1.356 820 1HD PRO 109 1HD PRO 109 -10.282 -13.686 1.206 821 2HD PRO 109 2HD PRO 109 -8.829 -13.780 2.221 822 HA PRO 110 HA PRO 110 -7.945 -12.814 -4.722 823 1HB PRO 110 1HB PRO 110 -6.319 -14.588 -5.980 824 2HB PRO 110 2HB PRO 110 -5.745 -13.042 -5.343 825 1HG PRO 110 1HG PRO 110 -5.551 -15.775 -4.139 826 2HG PRO 110 2HG PRO 110 -4.325 -14.497 -4.215 827 1HD PRO 110 1HD PRO 110 -5.790 -14.979 -1.990 828 2HD PRO 110 2HD PRO 110 -5.223 -13.354 -2.427 829 H ASP 111 H ASP 111 -7.425 -16.220 -3.795 830 HA ASP 111 HA ASP 111 -10.062 -17.034 -4.229 831 1HB ASP 111 1HB ASP 111 -8.549 -16.741 -6.646 832 2HB ASP 111 2HB ASP 111 -8.896 -18.449 -6.389 833 H GLU 112 H GLU 112 -6.658 -17.877 -4.265 834 HA GLU 112 HA GLU 112 -6.763 -20.615 -3.933 835 1HB GLU 112 1HB GLU 112 -4.795 -18.665 -3.796 836 2HB GLU 112 2HB GLU 112 -4.777 -19.383 -2.192 837 1HG GLU 112 1HG GLU 112 -3.554 -21.038 -2.987 838 2HG GLU 112 2HG GLU 112 -4.914 -21.522 -4.000 Start of MODEL 4 1 1H ALA 1 1H ALA 1 18.319 8.379 -2.002 2 HA ALA 1 HA ALA 1 17.117 9.408 -3.710 3 1HB ALA 1 1HB ALA 1 18.687 10.350 -5.045 4 2HB ALA 1 2HB ALA 1 19.662 8.882 -5.124 5 3HB ALA 1 3HB ALA 1 18.210 9.031 -6.114 6 HA PRO 2 HA PRO 2 14.834 5.910 -5.053 7 1HB PRO 2 1HB PRO 2 13.543 6.873 -7.238 8 2HB PRO 2 2HB PRO 2 13.129 7.354 -5.589 9 1HG PRO 2 1HG PRO 2 14.803 8.786 -7.615 10 2HG PRO 2 2HG PRO 2 13.570 9.438 -6.520 11 1HD PRO 2 1HD PRO 2 16.223 9.643 -6.016 12 2HD PRO 2 2HD PRO 2 15.015 9.492 -4.724 13 H ILE 3 H ILE 3 17.371 7.131 -6.884 14 HA ILE 3 HA ILE 3 17.072 5.260 -9.091 15 HB ILE 3 HB ILE 3 19.475 6.995 -8.586 16 1HG1 ILE 3 1HG1 ILE 3 16.906 7.773 -9.983 17 2HG1 ILE 3 2HG1 ILE 3 17.498 8.437 -8.464 18 1HG2 ILE 3 1HG2 ILE 3 18.237 5.793 -11.055 19 2HG2 ILE 3 2HG2 ILE 3 19.582 6.933 -11.074 20 3HG2 ILE 3 3HG2 ILE 3 19.773 5.356 -10.307 21 1HD1 ILE 3 1HD1 ILE 3 18.517 10.016 -9.624 22 2HD1 ILE 3 2HD1 ILE 3 19.568 8.780 -10.317 23 3HD1 ILE 3 3HD1 ILE 3 18.080 9.238 -11.145 24 H LYS 4 H LYS 4 18.747 3.734 -9.643 25 HA LYS 4 HA LYS 4 19.460 2.027 -7.567 26 1HB LYS 4 1HB LYS 4 19.332 1.278 -9.879 27 2HB LYS 4 2HB LYS 4 20.692 2.305 -10.314 28 1HG LYS 4 1HG LYS 4 22.001 0.554 -9.956 29 2HG LYS 4 2HG LYS 4 21.651 0.737 -8.235 30 1HD LYS 4 1HD LYS 4 21.154 -1.512 -8.757 31 2HD LYS 4 2HD LYS 4 19.595 -0.691 -8.646 32 1HE LYS 4 1HE LYS 4 19.470 -0.531 -11.056 33 2HE LYS 4 2HE LYS 4 21.083 -1.225 -11.216 34 1HZ LYS 4 1HZ LYS 4 18.741 -2.625 -10.043 35 2HZ LYS 4 2HZ LYS 4 20.277 -3.286 -10.299 36 3HZ LYS 4 3HZ LYS 4 19.313 -2.849 -11.619 37 H GLY 5 H GLY 5 21.218 1.796 -6.276 38 1HA GLY 5 2HA GLY 5 22.787 3.938 -5.558 39 2HA GLY 5 1HA GLY 5 23.232 2.262 -5.271 40 H VAL 6 H VAL 6 23.345 1.635 -8.136 41 HA VAL 6 HA VAL 6 25.923 2.932 -8.714 42 HB VAL 6 HB VAL 6 24.980 0.366 -9.966 43 1HG1 VAL 6 1HG1 VAL 6 27.782 0.524 -9.480 44 2HG1 VAL 6 2HG1 VAL 6 26.929 0.470 -11.024 45 3HG1 VAL 6 3HG1 VAL 6 27.258 2.021 -10.251 46 1HG2 VAL 6 1HG2 VAL 6 24.863 -0.188 -7.690 47 2HG2 VAL 6 2HG2 VAL 6 26.463 -0.731 -8.196 48 3HG2 VAL 6 3HG2 VAL 6 26.288 0.773 -7.292 49 H THR 7 H THR 7 23.467 4.202 -9.381 50 HA THR 7 HA THR 7 23.927 4.651 -12.181 51 HB THR 7 HB THR 7 21.102 3.882 -11.552 52 HG1 THR 7 1HG THR 7 23.145 2.073 -12.388 53 1HG2 THR 7 1HG2 THR 7 20.800 4.020 -13.780 54 2HG2 THR 7 2HG2 THR 7 22.333 3.224 -14.136 55 3HG2 THR 7 3HG2 THR 7 22.299 4.946 -13.757 56 H PHE 8 H PHE 8 23.317 6.670 -12.791 57 HA PHE 8 HA PHE 8 21.264 8.168 -11.534 58 1HB PHE 8 1HB PHE 8 22.706 9.895 -10.478 59 2HB PHE 8 2HB PHE 8 22.826 8.327 -9.687 60 HD1 PHE 8 1HD PHE 8 24.595 10.954 -11.369 61 HD2 PHE 8 2HD PHE 8 24.817 6.873 -10.180 62 HE1 PHE 8 1HE PHE 8 27.040 11.010 -11.644 63 HE2 PHE 8 2HE PHE 8 27.262 6.923 -10.452 64 HZ PHE 8 HZ PHE 8 28.376 8.993 -11.184 65 H GLY 9 H GLY 9 20.563 9.592 -12.989 66 1HA GLY 9 2HA GLY 9 20.467 10.832 -14.921 67 2HA GLY 9 1HA GLY 9 22.053 11.412 -14.436 68 H GLU 10 H GLU 10 20.984 8.187 -15.483 69 HA GLU 10 HA GLU 10 23.207 8.102 -17.358 70 1HB GLU 10 1HB GLU 10 21.318 6.075 -16.225 71 2HB GLU 10 2HB GLU 10 22.188 5.711 -17.709 72 1HG GLU 10 1HG GLU 10 23.579 6.607 -15.206 73 2HG GLU 10 2HG GLU 10 23.226 4.914 -15.545 74 H ASP 11 H ASP 11 19.706 8.211 -17.351 75 HA ASP 11 HA ASP 11 19.664 9.084 -20.083 76 1HB ASP 11 1HB ASP 11 19.761 6.488 -20.095 77 2HB ASP 11 2HB ASP 11 18.087 6.582 -19.556 78 H THR 12 H THR 12 17.344 7.409 -17.956 79 HA THR 12 HA THR 12 15.974 9.803 -17.244 80 HB THR 12 HB THR 12 15.210 9.560 -19.603 81 HG1 THR 12 1HG THR 12 13.618 10.570 -18.622 82 1HG2 THR 12 1HG2 THR 12 15.258 7.090 -19.686 83 2HG2 THR 12 2HG2 THR 12 13.706 7.751 -20.203 84 3HG2 THR 12 3HG2 THR 12 13.873 7.047 -18.595 85 H VAL 13 H VAL 13 13.773 9.221 -16.207 86 HA VAL 13 HA VAL 13 14.271 7.015 -14.392 87 HB VAL 13 HB VAL 13 11.778 8.660 -14.281 88 1HG1 VAL 13 1HG1 VAL 13 13.224 6.855 -12.576 89 2HG1 VAL 13 2HG1 VAL 13 13.026 8.420 -11.784 90 3HG1 VAL 13 3HG1 VAL 13 11.612 7.541 -12.368 91 1HG2 VAL 13 1HG2 VAL 13 13.208 10.265 -12.835 92 2HG2 VAL 13 2HG2 VAL 13 14.564 9.630 -13.768 93 3HG2 VAL 13 3HG2 VAL 13 13.231 10.442 -14.590 94 H TRP 14 H TRP 14 12.468 5.544 -13.796 95 HA TRP 14 HA TRP 14 10.991 3.899 -14.329 96 1HB TRP 14 1HB TRP 14 10.032 6.132 -16.099 97 2HB TRP 14 2HB TRP 14 9.270 4.545 -16.158 98 HD1 TRP 14 HD TRP 14 10.040 7.288 -13.523 99 HE1 TRP 14 1HE TRP 14 8.143 7.266 -11.784 100 HE3 TRP 14 3HE TRP 14 7.359 3.313 -15.296 101 HZ2 TRP 14 2HZ TRP 14 5.818 5.762 -11.235 102 HZ3 TRP 14 3HZ TRP 14 5.311 2.647 -14.106 103 HH2 TRP 14 HH TRP 14 4.558 3.847 -12.118 104 H GLU 15 H GLU 15 13.572 4.406 -15.913 105 HA GLU 15 HA GLU 15 13.024 2.365 -17.942 106 1HB GLU 15 1HB GLU 15 14.184 5.081 -18.396 107 2HB GLU 15 2HB GLU 15 14.781 3.735 -19.357 108 1HG GLU 15 1HG GLU 15 11.873 3.868 -19.231 109 2HG GLU 15 2HG GLU 15 12.617 5.293 -19.955 110 H VAL 16 H VAL 16 15.414 4.156 -16.061 111 HA VAL 16 HA VAL 16 17.158 1.781 -16.157 112 HB VAL 16 HB VAL 16 18.098 3.728 -17.407 113 1HG1 VAL 16 1HG1 VAL 16 18.802 5.126 -14.913 114 2HG1 VAL 16 2HG1 VAL 16 18.400 5.773 -16.505 115 3HG1 VAL 16 3HG1 VAL 16 17.116 5.258 -15.411 116 1HG2 VAL 16 1HG2 VAL 16 20.319 3.682 -16.205 117 2HG2 VAL 16 2HG2 VAL 16 19.532 2.706 -14.965 118 3HG2 VAL 16 3HG2 VAL 16 19.639 2.109 -16.621 119 H GLN 17 H GLN 17 15.780 4.365 -14.257 120 HA GLN 17 HA GLN 17 17.184 4.187 -11.896 121 1HB GLN 17 1HB GLN 17 15.616 5.871 -11.861 122 2HB GLN 17 2HB GLN 17 14.362 4.865 -12.574 123 1HG GLN 17 1HG GLN 17 13.889 3.817 -10.526 124 2HG GLN 17 2HG GLN 17 15.370 4.421 -9.785 125 1HE2 GLN 17 1HE2 GLN 17 12.101 5.109 -10.622 126 2HE2 GLN 17 2HE2 GLN 17 11.989 6.636 -9.822 127 H GLY 18 H GLY 18 14.325 2.272 -12.827 128 1HA GLY 18 2HA GLY 18 14.028 -0.019 -12.359 129 2HA GLY 18 1HA GLY 18 15.317 0.081 -11.168 130 H TYR 19 H TYR 19 12.613 2.312 -11.332 131 HA TYR 19 HA TYR 19 11.287 0.988 -9.098 132 1HB TYR 19 1HB TYR 19 12.706 3.604 -8.939 133 2HB TYR 19 2HB TYR 19 11.178 3.446 -8.080 134 HD1 TYR 19 1HD TYR 19 14.690 2.667 -8.074 135 HD2 TYR 19 2HD TYR 19 10.941 1.621 -6.354 136 HE1 TYR 19 1HE TYR 19 15.859 1.559 -6.215 137 HE2 TYR 19 2HE TYR 19 12.100 0.511 -4.490 138 HH TYR 19 HH TYR 19 14.235 0.527 -3.378 139 H LYS 20 H LYS 20 9.178 1.986 -8.593 140 HA LYS 20 HA LYS 20 8.056 3.634 -10.731 141 1HB LYS 20 1HB LYS 20 7.148 0.866 -9.992 142 2HB LYS 20 2HB LYS 20 6.022 2.031 -10.677 143 1HG LYS 20 1HG LYS 20 6.712 0.939 -12.560 144 2HG LYS 20 2HG LYS 20 7.865 2.275 -12.518 145 1HD LYS 20 1HD LYS 20 9.615 0.918 -12.079 146 2HD LYS 20 2HD LYS 20 8.667 -0.132 -11.023 147 1HE LYS 20 1HE LYS 20 9.091 -1.539 -12.792 148 2HE LYS 20 2HE LYS 20 7.531 -0.864 -13.258 149 1HZ LYS 20 1HZ LYS 20 8.682 -0.563 -15.177 150 2HZ LYS 20 2HZ LYS 20 10.178 -0.392 -14.407 151 3HZ LYS 20 3HZ LYS 20 9.080 0.895 -14.416 152 H ASN 21 H ASN 21 5.505 3.824 -10.100 153 HA ASN 21 HA ASN 21 5.336 4.339 -7.214 154 1HB ASN 21 1HB ASN 21 4.720 6.293 -9.434 155 2HB ASN 21 2HB ASN 21 4.128 6.497 -7.788 156 1HD2 ASN 21 1HD2 ASN 21 7.043 6.180 -9.732 157 2HD2 ASN 21 2HD2 ASN 21 8.071 7.069 -8.664 158 H VAL 22 H VAL 22 3.792 2.953 -6.611 159 HA VAL 22 HA VAL 22 1.298 2.890 -8.185 160 HB VAL 22 HB VAL 22 2.355 0.728 -8.289 161 1HG1 VAL 22 1HG1 VAL 22 3.203 1.342 -5.668 162 2HG1 VAL 22 2HG1 VAL 22 2.233 -0.130 -5.570 163 3HG1 VAL 22 3HG1 VAL 22 3.626 -0.061 -6.650 164 1HG2 VAL 22 1HG2 VAL 22 0.269 0.255 -6.218 165 2HG2 VAL 22 2HG2 VAL 22 -0.191 1.075 -7.710 166 3HG2 VAL 22 3HG2 VAL 22 0.516 -0.539 -7.774 167 H ARG 23 H ARG 23 -0.376 3.794 -7.203 168 HA ARG 23 HA ARG 23 -0.312 4.129 -4.293 169 1HB ARG 23 1HB ARG 23 -0.664 6.113 -5.799 170 2HB ARG 23 2HB ARG 23 -2.201 5.404 -6.275 171 1HG ARG 23 1HG ARG 23 -3.194 6.289 -4.509 172 2HG ARG 23 2HG ARG 23 -2.055 5.485 -3.426 173 1HD ARG 23 1HD ARG 23 -0.850 7.354 -3.115 174 2HD ARG 23 2HD ARG 23 -0.951 7.814 -4.815 175 HE ARG 23 HE ARG 23 -2.623 8.728 -2.679 176 1HH1 ARG 23 2HH1 ARG 23 -2.487 8.109 -6.102 177 2HH1 ARG 23 1HH1 ARG 23 -3.731 9.251 -6.491 178 1HH2 ARG 23 2HH2 ARG 23 -4.262 10.234 -3.178 179 2HH2 ARG 23 1HH2 ARG 23 -4.739 10.460 -4.826 180 H ILE 24 H ILE 24 -2.051 3.535 -2.977 181 HA ILE 24 HA ILE 24 -3.756 1.437 -4.129 182 HB ILE 24 HB ILE 24 -3.400 1.880 -1.184 183 1HG1 ILE 24 1HG1 ILE 24 -1.138 1.741 -2.061 184 2HG1 ILE 24 2HG1 ILE 24 -1.542 0.236 -1.243 185 1HG2 ILE 24 1HG2 ILE 24 -5.155 0.365 -1.867 186 2HG2 ILE 24 2HG2 ILE 24 -4.022 -0.539 -2.871 187 3HG2 ILE 24 3HG2 ILE 24 -3.844 -0.545 -1.117 188 1HD1 ILE 24 1HD1 ILE 24 -0.321 -0.129 -3.330 189 2HD1 ILE 24 2HD1 ILE 24 -1.934 -0.843 -3.372 190 3HD1 ILE 24 3HD1 ILE 24 -1.617 0.671 -4.219 191 H THR 25 H THR 25 -5.943 1.523 -4.002 192 HA THR 25 HA THR 25 -7.314 3.385 -2.297 193 HB THR 25 HB THR 25 -7.478 3.837 -5.282 194 HG1 THR 25 1HG THR 25 -6.258 5.359 -3.203 195 1HG2 THR 25 1HG2 THR 25 -8.964 4.918 -2.927 196 2HG2 THR 25 2HG2 THR 25 -9.567 4.445 -4.515 197 3HG2 THR 25 3HG2 THR 25 -8.683 5.959 -4.322 198 H PHE 26 H PHE 26 -8.107 1.230 -1.718 199 HA PHE 26 HA PHE 26 -10.236 0.330 -3.546 200 1HB PHE 26 1HB PHE 26 -8.512 -1.373 -3.401 201 2HB PHE 26 2HB PHE 26 -8.563 -1.320 -1.642 202 HD1 PHE 26 1HD PHE 26 -10.168 -2.551 -0.424 203 HD2 PHE 26 2HD PHE 26 -10.451 -2.278 -4.662 204 HE1 PHE 26 1HE PHE 26 -11.880 -4.318 -0.419 205 HE2 PHE 26 2HE PHE 26 -12.164 -4.044 -4.664 206 HZ PHE 26 HZ PHE 26 -12.881 -5.066 -2.542 207 H GLU 27 H GLU 27 -9.481 -0.458 -0.168 208 HA GLU 27 HA GLU 27 -11.389 1.137 1.074 209 1HB GLU 27 1HB GLU 27 -12.589 -0.957 -0.393 210 2HB GLU 27 2HB GLU 27 -12.707 -1.407 1.303 211 1HG GLU 27 1HG GLU 27 -13.967 0.480 1.841 212 2HG GLU 27 2HG GLU 27 -13.515 1.315 0.356 213 H LEU 28 H LEU 28 -11.428 0.841 3.300 214 HA LEU 28 HA LEU 28 -10.367 -1.520 4.532 215 1HB LEU 28 1HB LEU 28 -8.541 0.471 3.753 216 2HB LEU 28 2HB LEU 28 -8.722 0.623 5.499 217 HG LEU 28 HG LEU 28 -8.313 -1.987 5.417 218 1HD1 LEU 28 1HD1 LEU 28 -7.854 -2.737 3.374 219 2HD1 LEU 28 2HD1 LEU 28 -6.321 -1.875 3.501 220 3HD1 LEU 28 3HD1 LEU 28 -7.704 -1.104 2.725 221 1HD2 LEU 28 1HD2 LEU 28 -6.027 -1.583 5.945 222 2HD2 LEU 28 2HD2 LEU 28 -6.954 -0.205 6.539 223 3HD2 LEU 28 3HD2 LEU 28 -6.023 -0.066 5.047 224 H ASP 29 H ASP 29 -10.738 1.977 5.136 225 HA ASP 29 HA ASP 29 -12.406 1.296 7.465 226 1HB ASP 29 1HB ASP 29 -9.911 2.397 7.673 227 2HB ASP 29 2HB ASP 29 -10.929 3.835 7.645 228 H GLU 30 H GLU 30 -13.628 3.363 8.216 229 HA GLU 30 HA GLU 30 -14.761 4.627 5.809 230 1HB GLU 30 1HB GLU 30 -16.011 3.747 8.394 231 2HB GLU 30 2HB GLU 30 -16.777 4.980 7.402 232 1HG GLU 30 1HG GLU 30 -16.053 2.758 5.759 233 2HG GLU 30 2HG GLU 30 -16.965 2.189 7.156 234 H ARG 31 H ARG 31 -14.059 5.192 9.248 235 HA ARG 31 HA ARG 31 -14.434 8.033 9.004 236 1HB ARG 31 1HB ARG 31 -14.573 6.332 11.101 237 2HB ARG 31 2HB ARG 31 -12.946 6.962 11.325 238 1HG ARG 31 1HG ARG 31 -14.315 8.355 12.606 239 2HG ARG 31 2HG ARG 31 -13.990 9.275 11.135 240 1HD ARG 31 1HD ARG 31 -16.139 8.814 10.261 241 2HD ARG 31 2HD ARG 31 -16.443 7.569 11.472 242 HE ARG 31 HE ARG 31 -16.051 9.917 12.867 243 1HH1 ARG 31 2HH1 ARG 31 -18.267 8.723 10.462 244 2HH1 ARG 31 1HH1 ARG 31 -19.585 9.711 10.999 245 1HH2 ARG 31 2HH2 ARG 31 -17.779 11.222 13.583 246 2HH2 ARG 31 1HH2 ARG 31 -19.306 11.133 12.773 247 H VAL 32 H VAL 32 -11.751 5.797 8.909 248 HA VAL 32 HA VAL 32 -9.934 8.070 8.432 249 HB VAL 32 HB VAL 32 -8.103 6.477 9.209 250 1HG1 VAL 32 1HG1 VAL 32 -8.755 6.865 11.676 251 2HG1 VAL 32 2HG1 VAL 32 -8.541 8.268 10.627 252 3HG1 VAL 32 3HG1 VAL 32 -10.163 7.693 11.012 253 1HG2 VAL 32 1HG2 VAL 32 -10.503 5.019 10.310 254 2HG2 VAL 32 2HG2 VAL 32 -9.343 4.404 9.133 255 3HG2 VAL 32 3HG2 VAL 32 -8.832 4.721 10.790 256 H ASP 33 H ASP 33 -11.443 6.863 6.392 257 HA ASP 33 HA ASP 33 -9.920 4.873 5.024 258 1HB ASP 33 1HB ASP 33 -12.458 5.537 4.807 259 2HB ASP 33 2HB ASP 33 -11.849 6.666 3.600 260 H LYS 34 H LYS 34 -10.455 8.347 4.433 261 HA LYS 34 HA LYS 34 -8.647 8.552 2.283 262 1HB LYS 34 1HB LYS 34 -9.028 10.842 2.358 263 2HB LYS 34 2HB LYS 34 -10.489 10.197 3.093 264 1HG LYS 34 1HG LYS 34 -8.113 11.237 4.622 265 2HG LYS 34 2HG LYS 34 -9.583 12.154 4.283 266 1HD LYS 34 1HD LYS 34 -9.443 9.571 5.838 267 2HD LYS 34 2HD LYS 34 -9.609 11.183 6.538 268 1HE LYS 34 1HE LYS 34 -11.618 10.915 4.571 269 2HE LYS 34 2HE LYS 34 -11.635 9.436 5.530 270 1HZ LYS 34 1HZ LYS 34 -12.668 10.529 7.134 271 2HZ LYS 34 2HZ LYS 34 -12.658 11.946 6.211 272 3HZ LYS 34 3HZ LYS 34 -11.379 11.617 7.269 273 H VAL 35 H VAL 35 -8.123 8.186 5.617 274 HA VAL 35 HA VAL 35 -5.658 9.592 5.854 275 HB VAL 35 HB VAL 35 -6.751 7.322 7.522 276 1HG1 VAL 35 1HG1 VAL 35 -5.123 8.702 9.174 277 2HG1 VAL 35 2HG1 VAL 35 -4.625 7.270 8.271 278 3HG1 VAL 35 3HG1 VAL 35 -4.255 8.879 7.650 279 1HG2 VAL 35 1HG2 VAL 35 -7.328 9.157 9.106 280 2HG2 VAL 35 2HG2 VAL 35 -6.888 10.316 7.851 281 3HG2 VAL 35 3HG2 VAL 35 -8.234 9.207 7.593 282 H LEU 36 H LEU 36 -6.547 6.554 4.526 283 HA LEU 36 HA LEU 36 -3.702 5.816 4.305 284 1HB LEU 36 1HB LEU 36 -4.186 3.578 4.568 285 2HB LEU 36 2HB LEU 36 -5.284 4.343 5.715 286 HG LEU 36 HG LEU 36 -6.865 4.175 3.511 287 1HD1 LEU 36 1HD1 LEU 36 -4.699 2.623 2.806 288 2HD1 LEU 36 2HD1 LEU 36 -6.314 2.541 2.102 289 3HD1 LEU 36 3HD1 LEU 36 -5.867 1.449 3.412 290 1HD2 LEU 36 1HD2 LEU 36 -8.064 2.572 4.702 291 2HD2 LEU 36 2HD2 LEU 36 -7.174 3.438 5.955 292 3HD2 LEU 36 3HD2 LEU 36 -6.608 1.861 5.400 293 H ASN 37 H ASN 37 -6.124 7.109 2.621 294 HA ASN 37 HA ASN 37 -5.353 5.753 0.120 295 1HB ASN 37 1HB ASN 37 -7.631 5.257 0.352 296 2HB ASN 37 2HB ASN 37 -8.005 6.842 1.021 297 1HD2 ASN 37 1HD2 ASN 37 -9.394 7.727 -0.342 298 2HD2 ASN 37 2HD2 ASN 37 -9.175 7.871 -2.050 299 H GLU 38 H GLU 38 -5.671 8.726 1.839 300 HA GLU 38 HA GLU 38 -4.772 10.193 -0.554 301 1HB GLU 38 1HB GLU 38 -6.849 11.142 -0.109 302 2HB GLU 38 2HB GLU 38 -6.666 10.971 1.632 303 1HG GLU 38 1HG GLU 38 -5.584 12.930 1.850 304 2HG GLU 38 2HG GLU 38 -4.733 12.757 0.316 305 H LYS 39 H LYS 39 -4.576 10.009 2.982 306 HA LYS 39 HA LYS 39 -2.618 11.900 3.452 307 1HB LYS 39 1HB LYS 39 -3.934 10.005 4.961 308 2HB LYS 39 2HB LYS 39 -2.262 9.464 5.038 309 1HG LYS 39 1HG LYS 39 -1.898 10.953 6.630 310 2HG LYS 39 2HG LYS 39 -2.207 12.239 5.461 311 1HD LYS 39 1HD LYS 39 -4.471 10.855 6.855 312 2HD LYS 39 2HD LYS 39 -3.596 12.170 7.642 313 1HE LYS 39 1HE LYS 39 -4.310 12.832 4.915 314 2HE LYS 39 2HE LYS 39 -5.727 12.403 5.872 315 1HZ LYS 39 1HZ LYS 39 -5.225 14.775 5.985 316 2HZ LYS 39 2HZ LYS 39 -3.700 14.437 6.633 317 3HZ LYS 39 3HZ LYS 39 -5.096 14.048 7.507 318 H CYS 40 H CYS 40 -2.238 8.518 2.479 319 HA CYS 40 HA CYS 40 0.115 8.939 1.041 320 1HB CYS 40 1HB CYS 40 0.521 8.696 3.885 321 2HB CYS 40 2HB CYS 40 1.278 7.345 3.050 322 HG CYS 40 HG CYS 40 2.182 9.796 1.260 323 H SER 41 H SER 41 -1.022 7.596 -0.371 324 HA SER 41 HA SER 41 -1.218 4.773 0.452 325 1HB SER 41 1HB SER 41 -2.816 4.691 -1.608 326 2HB SER 41 2HB SER 41 -3.403 5.381 -0.095 327 HG SER 41 HG SER 41 -3.884 6.713 -1.895 328 H VAL 42 H VAL 42 0.662 6.841 -1.266 329 HA VAL 42 HA VAL 42 1.277 4.934 -3.407 330 HB VAL 42 HB VAL 42 1.020 7.121 -4.274 331 1HG1 VAL 42 1HG1 VAL 42 1.102 8.647 -2.576 332 2HG1 VAL 42 2HG1 VAL 42 2.543 7.930 -1.852 333 3HG1 VAL 42 3HG1 VAL 42 2.685 8.925 -3.301 334 1HG2 VAL 42 1HG2 VAL 42 2.977 5.840 -5.100 335 2HG2 VAL 42 2HG2 VAL 42 3.176 7.587 -5.243 336 3HG2 VAL 42 3HG2 VAL 42 3.990 6.710 -3.947 337 H TYR 43 H TYR 43 3.212 3.906 -3.575 338 HA TYR 43 HA TYR 43 5.375 4.588 -1.745 339 1HB TYR 43 1HB TYR 43 4.370 1.748 -1.885 340 2HB TYR 43 2HB TYR 43 5.561 2.421 -0.777 341 HD1 TYR 43 1HD TYR 43 4.898 3.460 1.253 342 HD2 TYR 43 2HD TYR 43 1.963 2.361 -1.625 343 HE1 TYR 43 1HE TYR 43 3.127 3.883 2.906 344 HE2 TYR 43 2HE TYR 43 0.184 2.782 0.020 345 HH TYR 43 HH TYR 43 0.681 3.018 3.245 346 H THR 44 H THR 44 7.398 3.970 -2.456 347 HA THR 44 HA THR 44 7.705 3.595 -5.246 348 HB THR 44 HB THR 44 10.057 2.903 -3.646 349 HG1 THR 44 1HG THR 44 10.227 4.844 -2.582 350 1HG2 THR 44 1HG2 THR 44 10.260 3.525 -5.963 351 2HG2 THR 44 2HG2 THR 44 11.015 4.779 -4.980 352 3HG2 THR 44 3HG2 THR 44 9.416 5.045 -5.673 353 H VAL 45 H VAL 45 8.296 1.823 -6.438 354 HA VAL 45 HA VAL 45 8.556 -0.746 -5.036 355 HB VAL 45 HB VAL 45 6.296 -0.821 -5.712 356 1HG1 VAL 45 1HG1 VAL 45 6.199 -0.462 -8.470 357 2HG1 VAL 45 2HG1 VAL 45 5.594 0.643 -7.234 358 3HG1 VAL 45 3HG1 VAL 45 7.222 0.847 -7.881 359 1HG2 VAL 45 1HG2 VAL 45 7.798 -2.771 -6.350 360 2HG2 VAL 45 2HG2 VAL 45 6.236 -2.676 -7.163 361 3HG2 VAL 45 3HG2 VAL 45 7.700 -2.167 -8.004 362 H GLU 46 H GLU 46 10.552 -1.393 -5.522 363 HA GLU 46 HA GLU 46 12.072 -0.586 -7.715 364 1HB GLU 46 1HB GLU 46 12.571 -2.020 -5.456 365 2HB GLU 46 2HB GLU 46 12.657 -3.283 -6.676 366 1HG GLU 46 1HG GLU 46 14.105 -0.922 -7.494 367 2HG GLU 46 2HG GLU 46 14.672 -1.531 -5.940 368 H SER 47 H SER 47 13.104 -2.482 -9.159 369 HA SER 47 HA SER 47 10.907 -3.361 -10.836 370 1HB SER 47 1HB SER 47 12.389 -3.251 -12.536 371 2HB SER 47 2HB SER 47 13.440 -2.428 -11.383 372 HG SER 47 HG SER 47 14.401 -4.268 -12.467 373 H GLY 48 H GLY 48 13.153 -4.705 -8.568 374 1HA GLY 48 2HA GLY 48 12.373 -7.433 -9.366 375 2HA GLY 48 1HA GLY 48 13.798 -7.025 -8.421 376 H THR 49 H THR 49 10.290 -6.421 -8.182 377 HA THR 49 HA THR 49 10.420 -7.416 -5.411 378 HB THR 49 HB THR 49 8.296 -5.458 -6.020 379 HG1 THR 49 1HG THR 49 10.930 -4.498 -5.578 380 1HG2 THR 49 1HG2 THR 49 10.164 -6.061 -3.746 381 2HG2 THR 49 2HG2 THR 49 8.405 -6.172 -3.791 382 3HG2 THR 49 3HG2 THR 49 9.189 -4.593 -3.770 383 H GLU 50 H GLU 50 8.126 -7.927 -4.584 384 HA GLU 50 HA GLU 50 6.595 -9.251 -6.726 385 1HB GLU 50 1HB GLU 50 6.014 -10.885 -4.736 386 2HB GLU 50 2HB GLU 50 7.469 -11.106 -5.698 387 1HG GLU 50 1HG GLU 50 8.729 -9.842 -3.966 388 2HG GLU 50 2HG GLU 50 7.266 -9.828 -2.984 389 H VAL 51 H VAL 51 4.324 -9.552 -6.300 390 HA VAL 51 HA VAL 51 3.054 -7.258 -5.315 391 HB VAL 51 HB VAL 51 1.708 -9.941 -5.568 392 1HG1 VAL 51 1HG1 VAL 51 0.394 -8.104 -4.608 393 2HG1 VAL 51 2HG1 VAL 51 0.716 -7.132 -6.045 394 3HG1 VAL 51 3HG1 VAL 51 -0.235 -8.613 -6.175 395 1HG2 VAL 51 1HG2 VAL 51 2.384 -10.013 -7.692 396 2HG2 VAL 51 2HG2 VAL 51 1.337 -8.622 -7.971 397 3HG2 VAL 51 3HG2 VAL 51 3.047 -8.380 -7.616 398 H THR 52 H THR 52 4.229 -10.024 -3.686 399 HA THR 52 HA THR 52 2.496 -9.663 -1.373 400 HB THR 52 HB THR 52 2.979 -11.951 -1.950 401 HG1 THR 52 1HG THR 52 2.953 -12.133 0.161 402 1HG2 THR 52 1HG2 THR 52 5.880 -11.154 -1.703 403 2HG2 THR 52 2HG2 THR 52 5.046 -11.713 -3.154 404 3HG2 THR 52 3HG2 THR 52 5.314 -12.821 -1.808 405 H GLU 53 H GLU 53 5.731 -8.926 -2.429 406 HA GLU 53 HA GLU 53 6.959 -8.472 0.045 407 1HB GLU 53 1HB GLU 53 7.520 -7.909 -2.742 408 2HB GLU 53 2HB GLU 53 8.039 -6.584 -1.710 409 1HG GLU 53 1HG GLU 53 9.254 -8.268 -0.313 410 2HG GLU 53 2HG GLU 53 8.877 -9.466 -1.551 411 H PHE 54 H PHE 54 4.858 -6.453 -1.910 412 HA PHE 54 HA PHE 54 5.281 -4.060 -0.417 413 1HB PHE 54 1HB PHE 54 2.790 -4.618 -2.003 414 2HB PHE 54 2HB PHE 54 3.633 -3.090 -1.771 415 HD1 PHE 54 1HD PHE 54 6.303 -3.475 -2.543 416 HD2 PHE 54 2HD PHE 54 2.816 -5.274 -4.192 417 HE1 PHE 54 1HE PHE 54 7.485 -3.803 -4.676 418 HE2 PHE 54 2HE PHE 54 3.993 -5.606 -6.327 419 HZ PHE 54 HZ PHE 54 6.331 -4.871 -6.571 420 H ALA 55 H ALA 55 3.368 -6.874 0.044 421 HA ALA 55 HA ALA 55 1.265 -5.851 1.591 422 1HB ALA 55 1HB ALA 55 1.978 -8.326 0.680 423 2HB ALA 55 2HB ALA 55 2.220 -8.485 2.421 424 3HB ALA 55 3HB ALA 55 0.648 -7.992 1.790 425 H CYS 56 H CYS 56 4.595 -6.158 2.283 426 HA CYS 56 HA CYS 56 4.090 -5.820 5.163 427 1HB CYS 56 1HB CYS 56 5.926 -7.473 3.743 428 2HB CYS 56 2HB CYS 56 6.857 -6.274 4.633 429 HG CYS 56 HG CYS 56 6.839 -8.430 6.288 430 H VAL 57 H VAL 57 4.392 -3.932 2.642 431 HA VAL 57 HA VAL 57 6.137 -1.994 4.019 432 HB VAL 57 HB VAL 57 5.735 -2.292 1.039 433 1HG1 VAL 57 1HG1 VAL 57 7.304 -0.298 2.660 434 2HG1 VAL 57 2HG1 VAL 57 7.543 -0.555 0.930 435 3HG1 VAL 57 3HG1 VAL 57 5.989 0.023 1.531 436 1HG2 VAL 57 1HG2 VAL 57 8.450 -2.459 2.032 437 2HG2 VAL 57 2HG2 VAL 57 7.419 -3.710 2.727 438 3HG2 VAL 57 3HG2 VAL 57 7.566 -3.562 0.976 439 H VAL 58 H VAL 58 3.149 -2.591 2.333 440 HA VAL 58 HA VAL 58 2.358 0.187 2.289 441 HB VAL 58 HB VAL 58 0.169 -0.691 1.497 442 1HG1 VAL 58 1HG1 VAL 58 0.932 -0.820 -0.619 443 2HG1 VAL 58 2HG1 VAL 58 2.481 -0.420 0.126 444 3HG1 VAL 58 3HG1 VAL 58 2.084 -2.100 -0.238 445 1HG2 VAL 58 1HG2 VAL 58 0.607 -3.276 0.779 446 2HG2 VAL 58 2HG2 VAL 58 1.395 -3.216 2.355 447 3HG2 VAL 58 3HG2 VAL 58 -0.305 -2.772 2.202 448 H ALA 59 H ALA 59 1.593 -2.705 4.171 449 HA ALA 59 HA ALA 59 -0.467 -1.544 5.725 450 1HB ALA 59 1HB ALA 59 0.576 -4.071 5.423 451 2HB ALA 59 2HB ALA 59 1.026 -3.645 7.074 452 3HB ALA 59 3HB ALA 59 -0.666 -3.595 6.581 453 H GLU 60 H GLU 60 3.023 -1.672 6.062 454 HA GLU 60 HA GLU 60 3.357 -0.990 8.712 455 1HB GLU 60 1HB GLU 60 4.948 -0.891 6.302 456 2HB GLU 60 2HB GLU 60 5.288 0.499 7.323 457 1HG GLU 60 1HG GLU 60 5.407 -1.359 9.197 458 2HG GLU 60 2HG GLU 60 5.780 -2.383 7.812 459 H ALA 61 H ALA 61 3.416 1.358 6.024 460 HA ALA 61 HA ALA 61 3.261 3.646 7.619 461 1HB ALA 61 1HB ALA 61 2.891 4.859 5.644 462 2HB ALA 61 2HB ALA 61 3.853 3.466 5.147 463 3HB ALA 61 3HB ALA 61 2.115 3.490 4.847 464 H VAL 62 H VAL 62 0.700 1.716 6.117 465 HA VAL 62 HA VAL 62 -1.487 3.334 6.653 466 HB VAL 62 HB VAL 62 -1.299 0.322 6.604 467 1HG1 VAL 62 1HG1 VAL 62 -3.769 0.384 6.282 468 2HG1 VAL 62 2HG1 VAL 62 -3.243 0.875 7.893 469 3HG1 VAL 62 3HG1 VAL 62 -3.736 2.093 6.715 470 1HG2 VAL 62 1HG2 VAL 62 -2.638 1.958 4.512 471 2HG2 VAL 62 2HG2 VAL 62 -0.875 1.932 4.552 472 3HG2 VAL 62 3HG2 VAL 62 -1.775 0.426 4.369 473 H VAL 63 H VAL 63 0.423 1.414 8.813 474 HA VAL 63 HA VAL 63 -1.509 1.354 10.940 475 HB VAL 63 HB VAL 63 1.450 0.750 10.917 476 1HG1 VAL 63 1HG1 VAL 63 1.383 0.919 13.135 477 2HG1 VAL 63 2HG1 VAL 63 -0.366 1.156 13.131 478 3HG1 VAL 63 3HG1 VAL 63 0.305 -0.476 13.131 479 1HG2 VAL 63 1HG2 VAL 63 0.926 -1.417 10.526 480 2HG2 VAL 63 2HG2 VAL 63 -0.587 -1.330 11.428 481 3HG2 VAL 63 3HG2 VAL 63 -0.502 -0.698 9.783 482 H LYS 64 H LYS 64 1.750 2.801 10.863 483 HA LYS 64 HA LYS 64 1.400 4.500 13.030 484 1HB LYS 64 1HB LYS 64 3.265 5.855 11.945 485 2HB LYS 64 2HB LYS 64 3.608 4.162 12.271 486 1HG LYS 64 1HG LYS 64 2.508 4.356 9.660 487 2HG LYS 64 2HG LYS 64 3.791 5.559 9.820 488 1HD LYS 64 1HD LYS 64 4.041 2.618 10.452 489 2HD LYS 64 2HD LYS 64 4.657 3.417 9.004 490 1HE LYS 64 1HE LYS 64 5.637 4.885 11.188 491 2HE LYS 64 2HE LYS 64 5.850 3.186 11.606 492 1HZ LYS 64 1HZ LYS 64 7.776 3.716 10.466 493 2HZ LYS 64 2HZ LYS 64 6.979 4.680 9.328 494 3HZ LYS 64 3HZ LYS 64 6.830 2.997 9.262 495 H THR 65 H THR 65 0.290 4.806 9.769 496 HA THR 65 HA THR 65 -0.181 7.638 9.873 497 HB THR 65 HB THR 65 -1.185 5.531 7.951 498 HG1 THR 65 1HG THR 65 0.664 7.574 7.350 499 1HG2 THR 65 1HG2 THR 65 -1.749 8.432 8.189 500 2HG2 THR 65 2HG2 THR 65 -2.747 7.135 7.533 501 3HG2 THR 65 3HG2 THR 65 -1.431 7.808 6.571 502 H LEU 66 H LEU 66 -2.018 4.736 10.551 503 HA LEU 66 HA LEU 66 -4.368 6.390 11.187 504 1HB LEU 66 1HB LEU 66 -4.062 3.533 10.348 505 2HB LEU 66 2HB LEU 66 -5.503 4.064 11.212 506 HG LEU 66 HG LEU 66 -5.636 5.848 9.304 507 1HD1 LEU 66 1HD1 LEU 66 -4.424 3.726 7.627 508 2HD1 LEU 66 2HD1 LEU 66 -3.332 4.813 8.485 509 3HD1 LEU 66 3HD1 LEU 66 -4.524 5.467 7.362 510 1HD2 LEU 66 1HD2 LEU 66 -7.357 4.626 8.549 511 2HD2 LEU 66 2HD2 LEU 66 -6.918 3.504 9.838 512 3HD2 LEU 66 3HD2 LEU 66 -6.340 3.230 8.193 513 H GLN 67 H GLN 67 -2.623 6.681 13.094 514 HA GLN 67 HA GLN 67 -3.519 4.866 15.231 515 1HB GLN 67 1HB GLN 67 -0.768 5.874 14.610 516 2HB GLN 67 2HB GLN 67 -1.208 5.519 16.276 517 1HG GLN 67 1HG GLN 67 -2.034 3.326 14.698 518 2HG GLN 67 2HG GLN 67 -0.386 3.735 14.224 519 1HE2 GLN 67 1HE2 GLN 67 1.275 3.458 15.667 520 2HE2 GLN 67 2HE2 GLN 67 1.092 2.618 17.165 521 HA PRO 68 HA PRO 68 -3.994 9.560 16.075 522 1HB PRO 68 1HB PRO 68 -6.626 9.855 15.476 523 2HB PRO 68 2HB PRO 68 -5.336 10.121 14.297 524 1HG PRO 68 1HG PRO 68 -7.081 7.720 14.687 525 2HG PRO 68 2HG PRO 68 -6.582 8.507 13.178 526 1HD PRO 68 1HD PRO 68 -5.402 6.253 14.104 527 2HD PRO 68 2HD PRO 68 -4.517 7.484 13.179 528 H VAL 69 H VAL 69 -6.551 7.096 16.447 529 HA VAL 69 HA VAL 69 -6.386 7.324 19.331 530 HB VAL 69 HB VAL 69 -8.910 7.626 19.492 531 1HG1 VAL 69 1HG1 VAL 69 -6.921 9.382 19.740 532 2HG1 VAL 69 2HG1 VAL 69 -7.781 10.137 18.396 533 3HG1 VAL 69 3HG1 VAL 69 -8.615 9.837 19.922 534 1HG2 VAL 69 1HG2 VAL 69 -8.957 7.331 16.846 535 2HG2 VAL 69 2HG2 VAL 69 -10.165 8.280 17.712 536 3HG2 VAL 69 3HG2 VAL 69 -8.815 9.088 16.915 537 H SER 70 H SER 70 -5.605 5.124 18.517 538 HA SER 70 HA SER 70 -7.324 3.193 17.482 539 1HB SER 70 1HB SER 70 -5.702 1.691 19.060 540 2HB SER 70 2HB SER 70 -5.225 2.325 17.486 541 HG SER 70 HG SER 70 -3.807 2.740 19.402 542 H ASP 71 H ASP 71 -7.145 4.558 20.647 543 HA ASP 71 HA ASP 71 -8.269 2.551 22.209 544 1HB ASP 71 1HB ASP 71 -8.770 5.521 22.481 545 2HB ASP 71 2HB ASP 71 -8.930 4.309 23.749 546 H LEU 72 H LEU 72 -9.703 4.533 19.778 547 HA LEU 72 HA LEU 72 -12.416 3.898 20.641 548 1HB LEU 72 1HB LEU 72 -11.315 5.604 18.421 549 2HB LEU 72 2HB LEU 72 -13.035 5.274 18.616 550 HG LEU 72 HG LEU 72 -11.370 6.592 20.751 551 1HD1 LEU 72 1HD1 LEU 72 -11.432 8.535 19.684 552 2HD1 LEU 72 2HD1 LEU 72 -13.160 8.370 19.375 553 3HD1 LEU 72 3HD1 LEU 72 -11.994 7.674 18.250 554 1HD2 LEU 72 1HD2 LEU 72 -13.831 5.457 20.911 555 2HD2 LEU 72 2HD2 LEU 72 -14.246 7.119 20.489 556 3HD2 LEU 72 3HD2 LEU 72 -13.274 6.788 21.925 557 H LEU 73 H LEU 73 -10.279 3.364 17.856 558 HA LEU 73 HA LEU 73 -11.991 1.921 16.232 559 1HB LEU 73 1HB LEU 73 -9.094 1.210 16.561 560 2HB LEU 73 2HB LEU 73 -10.089 1.111 15.109 561 HG LEU 73 HG LEU 73 -8.942 3.577 16.400 562 1HD1 LEU 73 1HD1 LEU 73 -7.359 2.515 15.000 563 2HD1 LEU 73 2HD1 LEU 73 -8.030 3.852 14.066 564 3HD1 LEU 73 3HD1 LEU 73 -8.566 2.201 13.752 565 1HD2 LEU 73 1HD2 LEU 73 -11.340 3.271 14.779 566 2HD2 LEU 73 2HD2 LEU 73 -10.164 4.375 14.067 567 3HD2 LEU 73 3HD2 LEU 73 -10.764 4.660 15.701 568 H THR 74 H THR 74 -10.127 0.851 19.017 569 HA THR 74 HA THR 74 -10.700 -1.928 18.661 570 HB THR 74 HB THR 74 -10.023 -0.863 21.360 571 HG1 THR 74 1HG THR 74 -7.877 -0.514 20.716 572 1HG2 THR 74 1HG2 THR 74 -8.357 -2.800 21.125 573 2HG2 THR 74 2HG2 THR 74 -9.259 -3.228 19.671 574 3HG2 THR 74 3HG2 THR 74 -10.069 -3.206 21.237 575 H ASN 75 H ASN 75 -12.327 0.747 20.135 576 HA ASN 75 HA ASN 75 -14.023 -0.799 21.845 577 1HB ASN 75 1HB ASN 75 -14.523 1.213 22.684 578 2HB ASN 75 2HB ASN 75 -13.453 1.930 21.483 579 1HD2 ASN 75 1HD2 ASN 75 -14.302 3.255 20.034 580 2HD2 ASN 75 2HD2 ASN 75 -15.990 3.463 19.730 581 H MET 76 H MET 76 -14.039 0.055 18.512 582 HA MET 76 HA MET 76 -16.867 -0.655 18.229 583 1HB MET 76 1HB MET 76 -15.034 0.298 16.035 584 2HB MET 76 2HB MET 76 -16.792 0.320 16.066 585 1HG MET 76 1HG MET 76 -16.779 2.036 17.763 586 2HG MET 76 2HG MET 76 -15.020 1.968 17.852 587 1HE MET 76 1HE MET 76 -13.892 4.555 15.697 588 2HE MET 76 2HE MET 76 -13.664 3.368 16.982 589 3HE MET 76 3HE MET 76 -13.466 2.892 15.295 590 H GLY 77 H GLY 77 -13.656 -1.807 17.563 591 1HA GLY 77 2HA GLY 77 -13.804 -4.377 17.426 592 2HA GLY 77 1HA GLY 77 -14.750 -4.039 15.985 593 H ILE 78 H ILE 78 -13.145 -1.754 15.184 594 HA ILE 78 HA ILE 78 -11.242 -3.085 13.590 595 HB ILE 78 HB ILE 78 -11.499 -0.144 14.225 596 1HG1 ILE 78 1HG1 ILE 78 -12.389 -1.723 11.803 597 2HG1 ILE 78 2HG1 ILE 78 -13.453 -1.201 13.104 598 1HG2 ILE 78 1HG2 ILE 78 -10.198 0.117 12.076 599 2HG2 ILE 78 2HG2 ILE 78 -9.283 -0.467 13.466 600 3HG2 ILE 78 3HG2 ILE 78 -9.799 -1.596 12.213 601 1HD1 ILE 78 1HD1 ILE 78 -13.724 0.768 12.141 602 2HD1 ILE 78 2HD1 ILE 78 -11.982 1.037 12.100 603 3HD1 ILE 78 3HD1 ILE 78 -12.774 0.188 10.773 604 H ASP 79 H ASP 79 -9.476 -4.033 14.365 605 HA ASP 79 HA ASP 79 -8.088 -2.893 16.664 606 1HB ASP 79 1HB ASP 79 -8.556 -5.517 15.771 607 2HB ASP 79 2HB ASP 79 -6.826 -5.249 15.573 608 H LEU 80 H LEU 80 -6.131 -1.938 16.583 609 HA LEU 80 HA LEU 80 -5.041 -1.357 13.947 610 1HB LEU 80 1HB LEU 80 -5.393 0.185 16.151 611 2HB LEU 80 2HB LEU 80 -3.699 -0.269 16.326 612 HG LEU 80 HG LEU 80 -4.026 1.909 15.202 613 1HD1 LEU 80 1HD1 LEU 80 -2.851 -0.174 13.370 614 2HD1 LEU 80 2HD1 LEU 80 -2.039 0.471 14.796 615 3HD1 LEU 80 3HD1 LEU 80 -2.435 1.538 13.450 616 1HD2 LEU 80 1HD2 LEU 80 -5.576 2.162 13.638 617 2HD2 LEU 80 2HD2 LEU 80 -5.973 0.447 13.743 618 3HD2 LEU 80 3HD2 LEU 80 -4.739 1.000 12.609 619 H ASP 81 H ASP 81 -4.339 -3.262 16.745 620 HA ASP 81 HA ASP 81 -1.552 -3.639 16.165 621 1HB ASP 81 1HB ASP 81 -3.267 -4.182 18.334 622 2HB ASP 81 2HB ASP 81 -2.659 -5.744 17.792 623 H GLU 82 H GLU 82 -4.504 -5.046 15.108 624 HA GLU 82 HA GLU 82 -3.331 -7.538 14.246 625 1HB GLU 82 1HB GLU 82 -5.473 -8.177 13.596 626 2HB GLU 82 2HB GLU 82 -5.782 -7.107 14.957 627 1HG GLU 82 1HG GLU 82 -6.045 -5.265 13.195 628 2HG GLU 82 2HG GLU 82 -6.170 -6.586 12.035 629 H TRP 83 H TRP 83 -4.069 -4.416 12.868 630 HA TRP 83 HA TRP 83 -4.006 -4.992 10.156 631 1HB TRP 83 1HB TRP 83 -3.254 -2.570 11.759 632 2HB TRP 83 2HB TRP 83 -2.971 -2.595 10.021 633 HD1 TRP 83 HD TRP 83 -6.078 -4.381 11.215 634 HE1 TRP 83 1HE TRP 83 -8.155 -3.012 10.554 635 HE3 TRP 83 3HE TRP 83 -3.763 -0.095 9.664 636 HZ2 TRP 83 2HZ TRP 83 -8.734 -0.453 9.511 637 HZ3 TRP 83 3HZ TRP 83 -5.151 1.766 8.849 638 HH2 TRP 83 HH TRP 83 -7.585 1.589 8.774 639 H SER 84 H SER 84 -1.365 -4.639 12.441 640 HA SER 84 HA SER 84 0.686 -4.658 10.432 641 1HB SER 84 1HB SER 84 2.089 -4.151 12.133 642 2HB SER 84 2HB SER 84 0.612 -3.900 13.063 643 HG SER 84 HG SER 84 2.099 -5.319 14.104 644 H VAL 85 H VAL 85 -1.107 -7.032 12.177 645 HA VAL 85 HA VAL 85 0.646 -9.143 11.095 646 HB VAL 85 HB VAL 85 -0.066 -10.596 12.924 647 1HG1 VAL 85 1HG1 VAL 85 1.947 -9.503 13.390 648 2HG1 VAL 85 2HG1 VAL 85 1.151 -7.948 13.640 649 3HG1 VAL 85 3HG1 VAL 85 0.968 -9.235 14.832 650 1HG2 VAL 85 1HG2 VAL 85 -2.153 -8.761 13.197 651 2HG2 VAL 85 2HG2 VAL 85 -1.838 -10.175 14.203 652 3HG2 VAL 85 3HG2 VAL 85 -1.195 -8.601 14.669 653 H ALA 86 H ALA 86 -1.423 -7.972 9.591 654 HA ALA 86 HA ALA 86 -3.465 -10.095 9.566 655 1HB ALA 86 1HB ALA 86 -4.989 -8.493 9.418 656 2HB ALA 86 2HB ALA 86 -3.717 -7.273 9.480 657 3HB ALA 86 3HB ALA 86 -4.248 -7.914 7.925 658 H THR 87 H THR 87 -4.487 -9.964 7.119 659 HA THR 87 HA THR 87 -2.197 -10.510 5.344 660 HB THR 87 HB THR 87 -4.911 -11.738 4.951 661 HG1 THR 87 1HG THR 87 -2.795 -12.713 6.596 662 1HG2 THR 87 1HG2 THR 87 -3.211 -11.837 3.142 663 2HG2 THR 87 2HG2 THR 87 -3.670 -13.427 3.750 664 3HG2 THR 87 3HG2 THR 87 -2.139 -12.702 4.242 665 H PHE 88 H PHE 88 -2.004 -8.685 4.160 666 HA PHE 88 HA PHE 88 -4.383 -7.395 3.078 667 1HB PHE 88 1HB PHE 88 -1.509 -6.644 3.366 668 2HB PHE 88 2HB PHE 88 -2.446 -5.874 2.090 669 HD1 PHE 88 1HD PHE 88 -2.757 -3.692 2.792 670 HD2 PHE 88 2HD PHE 88 -3.479 -6.882 5.516 671 HE1 PHE 88 1HE PHE 88 -3.663 -2.089 4.425 672 HE2 PHE 88 2HE PHE 88 -4.387 -5.285 7.152 673 HZ PHE 88 HZ PHE 88 -4.480 -2.885 6.607 674 H TYR 89 H TYR 89 -5.196 -8.339 1.317 675 HA TYR 89 HA TYR 89 -3.433 -9.584 -0.636 676 1HB TYR 89 1HB TYR 89 -6.444 -9.398 -0.741 677 2HB TYR 89 2HB TYR 89 -5.406 -10.528 -1.603 678 HD1 TYR 89 1HD TYR 89 -7.191 -9.852 1.465 679 HD2 TYR 89 2HD TYR 89 -4.235 -12.332 -0.327 680 HE1 TYR 89 1HE TYR 89 -7.454 -11.476 3.293 681 HE2 TYR 89 2HE TYR 89 -4.490 -13.963 1.496 682 HH TYR 89 HH TYR 89 -6.530 -13.296 4.286 683 H LEU 90 H LEU 90 -2.712 -8.551 -2.366 684 HA LEU 90 HA LEU 90 -3.780 -5.946 -3.054 685 1HB LEU 90 1HB LEU 90 -1.437 -7.552 -4.037 686 2HB LEU 90 2HB LEU 90 -1.916 -6.027 -4.777 687 HG LEU 90 HG LEU 90 -0.112 -5.568 -3.303 688 1HD1 LEU 90 1HD1 LEU 90 -2.212 -4.703 -1.450 689 2HD1 LEU 90 2HD1 LEU 90 -2.503 -4.295 -3.141 690 3HD1 LEU 90 3HD1 LEU 90 -1.023 -3.758 -2.347 691 1HD2 LEU 90 1HD2 LEU 90 0.288 -6.615 -1.369 692 2HD2 LEU 90 2HD2 LEU 90 -0.966 -7.746 -1.879 693 3HD2 LEU 90 3HD2 LEU 90 -1.370 -6.405 -0.805 694 H PHE 91 H PHE 91 -4.107 -5.413 -5.398 695 HA PHE 91 HA PHE 91 -4.787 -7.476 -7.236 696 1HB PHE 91 1HB PHE 91 -6.879 -6.442 -5.451 697 2HB PHE 91 2HB PHE 91 -7.295 -6.370 -7.160 698 HD1 PHE 91 1HD PHE 91 -7.848 -8.242 -4.428 699 HD2 PHE 91 2HD PHE 91 -6.286 -8.704 -8.361 700 HE1 PHE 91 1HE PHE 91 -8.437 -10.630 -4.378 701 HE2 PHE 91 2HE PHE 91 -6.873 -11.093 -8.317 702 HZ PHE 91 HZ PHE 91 -7.951 -12.059 -6.325 703 H ASP 92 H ASP 92 -5.949 -6.528 -9.191 704 HA ASP 92 HA ASP 92 -5.204 -3.700 -9.548 705 1HB ASP 92 1HB ASP 92 -4.035 -5.921 -10.826 706 2HB ASP 92 2HB ASP 92 -5.070 -5.159 -12.031 707 H ASP 93 H ASP 93 -6.131 -3.300 -12.084 708 HA ASP 93 HA ASP 93 -8.960 -3.153 -11.636 709 1HB ASP 93 1HB ASP 93 -9.050 -1.778 -13.543 710 2HB ASP 93 2HB ASP 93 -7.480 -1.424 -12.827 711 H ALA 94 H ALA 94 -6.932 -5.497 -12.922 712 HA ALA 94 HA ALA 94 -9.011 -6.594 -14.678 713 1HB ALA 94 1HB ALA 94 -6.193 -7.603 -14.370 714 2HB ALA 94 2HB ALA 94 -7.334 -7.944 -15.671 715 3HB ALA 94 3HB ALA 94 -6.646 -6.329 -15.502 716 H GLY 95 H GLY 95 -8.330 -6.720 -11.528 717 1HA GLY 95 2HA GLY 95 -9.052 -8.163 -9.879 718 2HA GLY 95 1HA GLY 95 -9.713 -9.194 -11.140 719 H GLU 96 H GLU 96 -6.350 -8.203 -10.976 720 HA GLU 96 HA GLU 96 -5.612 -10.914 -10.113 721 1HB GLU 96 1HB GLU 96 -3.868 -11.028 -11.796 722 2HB GLU 96 2HB GLU 96 -5.426 -10.775 -12.569 723 1HG GLU 96 1HG GLU 96 -4.930 -8.426 -12.874 724 2HG GLU 96 2HG GLU 96 -3.397 -8.620 -12.025 725 H GLU 97 H GLU 97 -3.384 -11.076 -9.318 726 HA GLU 97 HA GLU 97 -2.746 -8.804 -7.659 727 1HB GLU 97 1HB GLU 97 -2.173 -11.643 -7.673 728 2HB GLU 97 2HB GLU 97 -0.714 -10.707 -7.377 729 1HG GLU 97 1HG GLU 97 -1.395 -10.030 -5.346 730 2HG GLU 97 2HG GLU 97 -3.080 -9.877 -5.843 731 H ASN 98 H ASN 98 -2.104 -7.255 -9.216 732 HA ASN 98 HA ASN 98 0.598 -7.725 -10.288 733 1HB ASN 98 1HB ASN 98 -1.833 -6.665 -11.642 734 2HB ASN 98 2HB ASN 98 -0.290 -5.921 -12.049 735 1HD2 ASN 98 1HD2 ASN 98 -1.601 -9.180 -11.527 736 2HD2 ASN 98 2HD2 ASN 98 -0.845 -9.888 -12.910 737 H PHE 99 H PHE 99 1.702 -5.589 -10.834 738 HA PHE 99 HA PHE 99 1.086 -3.622 -8.727 739 1HB PHE 99 1HB PHE 99 3.641 -3.114 -9.008 740 2HB PHE 99 2HB PHE 99 3.122 -4.482 -8.029 741 HD1 PHE 99 1HD PHE 99 4.635 -3.460 -11.207 742 HD2 PHE 99 2HD PHE 99 3.535 -6.738 -8.724 743 HE1 PHE 99 1HE PHE 99 6.006 -4.963 -12.590 744 HE2 PHE 99 2HE PHE 99 4.906 -8.246 -10.103 745 HZ PHE 99 HZ PHE 99 6.145 -7.359 -12.038 746 H SER 100 H SER 100 -0.296 -3.006 -10.776 747 HA SER 100 HA SER 100 1.132 -1.576 -12.823 748 1HB SER 100 1HB SER 100 -1.109 -2.756 -13.117 749 2HB SER 100 2HB SER 100 -1.827 -1.400 -12.248 750 HG SER 100 HG SER 100 -1.202 -1.544 -14.817 751 H SER 101 H SER 101 -0.362 0.697 -13.203 752 HA SER 101 HA SER 101 0.925 2.608 -11.709 753 1HB SER 101 1HB SER 101 -1.097 2.580 -13.691 754 2HB SER 101 2HB SER 101 -1.685 3.605 -12.381 755 HG SER 101 HG SER 101 -0.166 5.023 -12.795 756 H ARG 102 H ARG 102 -2.002 0.858 -10.941 757 HA ARG 102 HA ARG 102 -1.993 2.122 -8.286 758 1HB ARG 102 1HB ARG 102 -4.306 2.421 -8.258 759 2HB ARG 102 2HB ARG 102 -3.860 2.903 -9.889 760 1HG ARG 102 1HG ARG 102 -4.538 0.701 -10.719 761 2HG ARG 102 2HG ARG 102 -5.008 0.239 -9.081 762 1HD ARG 102 1HD ARG 102 -6.899 1.478 -9.132 763 2HD ARG 102 2HD ARG 102 -6.161 2.756 -10.096 764 HE ARG 102 HE ARG 102 -6.591 0.329 -11.565 765 1HH1 ARG 102 2HH1 ARG 102 -8.048 3.297 -10.474 766 2HH1 ARG 102 1HH1 ARG 102 -9.231 3.334 -11.739 767 1HH2 ARG 102 2HH2 ARG 102 -8.143 0.367 -13.236 768 2HH2 ARG 102 1HH2 ARG 102 -9.285 1.666 -13.309 769 H MET 103 H MET 103 -3.619 0.759 -6.831 770 HA MET 103 HA MET 103 -3.596 -2.070 -7.387 771 1HB MET 103 1HB MET 103 -1.509 -0.840 -5.771 772 2HB MET 103 2HB MET 103 -2.397 -2.070 -4.881 773 1HG MET 103 1HG MET 103 -1.739 -3.764 -6.301 774 2HG MET 103 2HG MET 103 -1.390 -2.657 -7.626 775 1HE MET 103 1HE MET 103 -0.087 -5.096 -6.313 776 2HE MET 103 2HE MET 103 1.644 -4.788 -6.442 777 3HE MET 103 3HE MET 103 0.862 -4.776 -4.861 778 H TYR 104 H TYR 104 -4.984 -3.240 -6.056 779 HA TYR 104 HA TYR 104 -6.623 -1.598 -4.239 780 1HB TYR 104 1HB TYR 104 -7.392 -3.949 -5.974 781 2HB TYR 104 2HB TYR 104 -8.445 -3.266 -4.740 782 HD1 TYR 104 1HD TYR 104 -8.456 -3.462 -7.990 783 HD2 TYR 104 2HD TYR 104 -7.969 -0.376 -5.102 784 HE1 TYR 104 1HE TYR 104 -9.286 -1.815 -9.618 785 HE2 TYR 104 2HE TYR 104 -8.799 1.279 -6.721 786 HH TYR 104 HH TYR 104 -10.516 0.727 -9.200 787 H CYS 105 H CYS 105 -6.894 -2.246 -2.185 788 HA CYS 105 HA CYS 105 -5.703 -4.828 -1.415 789 1HB CYS 105 1HB CYS 105 -5.435 -3.741 0.858 790 2HB CYS 105 2HB CYS 105 -4.425 -3.084 -0.424 791 HG CYS 105 HG CYS 105 -5.039 -0.759 0.602 792 H SER 106 H SER 106 -7.384 -6.211 -1.325 793 HA SER 106 HA SER 106 -9.867 -5.368 -0.031 794 1HB SER 106 1HB SER 106 -10.151 -8.028 -0.844 795 2HB SER 106 2HB SER 106 -10.749 -6.600 -1.688 796 HG SER 106 HG SER 106 -8.479 -8.150 -2.186 797 H PHE 107 H PHE 107 -10.750 -6.429 1.744 798 HA PHE 107 HA PHE 107 -8.857 -7.461 3.613 799 1HB PHE 107 1HB PHE 107 -10.854 -7.754 5.084 800 2HB PHE 107 2HB PHE 107 -10.698 -6.129 4.425 801 HD1 PHE 107 1HD PHE 107 -12.504 -9.332 4.049 802 HD2 PHE 107 2HD PHE 107 -12.400 -5.180 3.118 803 HE1 PHE 107 1HE PHE 107 -14.796 -9.476 3.166 804 HE2 PHE 107 2HE PHE 107 -14.692 -5.318 2.234 805 HZ PHE 107 HZ PHE 107 -15.894 -7.467 2.258 806 H TYR 108 H TYR 108 -10.568 -8.876 1.106 807 HA TYR 108 HA TYR 108 -10.468 -11.531 2.377 808 1HB TYR 108 1HB TYR 108 -12.134 -12.255 0.772 809 2HB TYR 108 2HB TYR 108 -12.706 -10.804 1.587 810 HD1 TYR 108 1HD TYR 108 -11.951 -12.329 -1.571 811 HD2 TYR 108 2HD TYR 108 -12.503 -8.585 0.372 812 HE1 TYR 108 1HE TYR 108 -12.319 -11.257 -3.754 813 HE2 TYR 108 2HE TYR 108 -12.873 -7.503 -1.805 814 HH TYR 108 HH TYR 108 -12.215 -9.079 -4.776 815 HA PRO 109 HA PRO 109 -7.302 -12.853 -0.361 816 1HB PRO 109 1HB PRO 109 -7.966 -15.460 -0.723 817 2HB PRO 109 2HB PRO 109 -7.299 -14.840 0.792 818 1HG PRO 109 1HG PRO 109 -10.147 -15.414 0.072 819 2HG PRO 109 2HG PRO 109 -9.278 -15.776 1.574 820 1HD PRO 109 1HD PRO 109 -10.947 -13.658 1.331 821 2HD PRO 109 2HD PRO 109 -9.512 -13.628 2.376 822 HA PRO 110 HA PRO 110 -8.558 -12.792 -4.574 823 1HB PRO 110 1HB PRO 110 -6.781 -14.472 -5.754 824 2HB PRO 110 2HB PRO 110 -6.334 -12.873 -5.148 825 1HG PRO 110 1HG PRO 110 -5.967 -15.554 -3.869 826 2HG PRO 110 2HG PRO 110 -4.835 -14.192 -3.956 827 1HD PRO 110 1HD PRO 110 -6.306 -14.723 -1.746 828 2HD PRO 110 2HD PRO 110 -5.851 -13.073 -2.216 829 H ASP 111 H ASP 111 -7.802 -16.129 -3.559 830 HA ASP 111 HA ASP 111 -10.361 -17.151 -4.000 831 1HB ASP 111 1HB ASP 111 -8.861 -16.779 -6.415 832 2HB ASP 111 2HB ASP 111 -9.077 -18.505 -6.133 833 H GLU 112 H GLU 112 -6.902 -17.727 -4.002 834 HA GLU 112 HA GLU 112 -6.795 -20.460 -3.632 835 1HB GLU 112 1HB GLU 112 -4.988 -18.358 -3.507 836 2HB GLU 112 2HB GLU 112 -4.926 -19.055 -1.894 837 1HG GLU 112 1HG GLU 112 -4.314 -21.185 -2.747 838 2HG GLU 112 2HG GLU 112 -4.632 -20.678 -4.405 Start of MODEL 5 1 1H ALA 1 1H ALA 1 15.299 11.852 -4.670 2 HA ALA 1 HA ALA 1 13.433 10.858 -5.725 3 1HB ALA 1 1HB ALA 1 14.816 11.739 -7.975 4 2HB ALA 1 2HB ALA 1 14.665 9.995 -8.186 5 3HB ALA 1 3HB ALA 1 13.224 10.980 -7.934 6 HA PRO 2 HA PRO 2 14.547 6.741 -4.697 7 1HB PRO 2 1HB PRO 2 12.720 5.280 -6.075 8 2HB PRO 2 2HB PRO 2 12.304 6.245 -4.654 9 1HG PRO 2 1HG PRO 2 11.970 6.903 -7.555 10 2HG PRO 2 2HG PRO 2 10.843 7.165 -6.211 11 1HD PRO 2 1HD PRO 2 12.391 9.144 -7.221 12 2HD PRO 2 2HD PRO 2 11.927 9.074 -5.509 13 H ILE 3 H ILE 3 16.546 7.279 -6.143 14 HA ILE 3 HA ILE 3 16.624 5.933 -8.691 15 HB ILE 3 HB ILE 3 18.970 6.983 -7.114 16 1HG1 ILE 3 1HG1 ILE 3 17.287 8.447 -9.158 17 2HG1 ILE 3 2HG1 ILE 3 17.230 8.728 -7.421 18 1HG2 ILE 3 1HG2 ILE 3 19.737 7.331 -9.589 19 2HG2 ILE 3 2HG2 ILE 3 19.875 5.748 -8.828 20 3HG2 ILE 3 3HG2 ILE 3 18.535 6.085 -9.923 21 1HD1 ILE 3 1HD1 ILE 3 19.929 8.917 -8.385 22 2HD1 ILE 3 2HD1 ILE 3 18.859 9.989 -9.289 23 3HD1 ILE 3 3HD1 ILE 3 18.950 10.111 -7.532 24 H LYS 4 H LYS 4 18.169 4.228 -9.189 25 HA LYS 4 HA LYS 4 17.897 1.988 -7.555 26 1HB LYS 4 1HB LYS 4 19.097 2.612 -10.067 27 2HB LYS 4 2HB LYS 4 20.256 1.684 -9.123 28 1HG LYS 4 1HG LYS 4 17.482 0.672 -9.172 29 2HG LYS 4 2HG LYS 4 18.398 0.562 -10.677 30 1HD LYS 4 1HD LYS 4 20.254 -0.378 -9.023 31 2HD LYS 4 2HD LYS 4 18.828 -0.811 -8.078 32 1HE LYS 4 1HE LYS 4 17.923 -1.873 -10.192 33 2HE LYS 4 2HE LYS 4 19.532 -1.660 -10.878 34 1HZ LYS 4 1HZ LYS 4 20.382 -3.303 -9.621 35 2HZ LYS 4 2HZ LYS 4 18.778 -3.838 -9.562 36 3HZ LYS 4 3HZ LYS 4 19.420 -2.946 -8.276 37 H GLY 5 H GLY 5 20.259 0.731 -7.210 38 1HA GLY 5 2HA GLY 5 21.186 1.529 -4.766 39 2HA GLY 5 1HA GLY 5 22.151 0.597 -5.902 40 H VAL 6 H VAL 6 23.538 1.731 -7.373 41 HA VAL 6 HA VAL 6 24.222 4.448 -6.455 42 HB VAL 6 HB VAL 6 26.177 2.398 -7.503 43 1HG1 VAL 6 1HG1 VAL 6 27.339 4.292 -7.868 44 2HG1 VAL 6 2HG1 VAL 6 26.339 5.242 -6.766 45 3HG1 VAL 6 3HG1 VAL 6 27.628 4.219 -6.130 46 1HG2 VAL 6 1HG2 VAL 6 26.885 2.795 -4.919 47 2HG2 VAL 6 2HG2 VAL 6 25.129 2.891 -4.799 48 3HG2 VAL 6 3HG2 VAL 6 25.888 1.452 -5.479 49 H THR 7 H THR 7 22.818 5.232 -8.147 50 HA THR 7 HA THR 7 24.251 5.607 -10.628 51 HB THR 7 HB THR 7 21.478 4.839 -11.203 52 HG1 THR 7 1HG THR 7 21.624 3.059 -10.037 53 1HG2 THR 7 1HG2 THR 7 24.199 4.332 -12.374 54 2HG2 THR 7 2HG2 THR 7 22.858 5.255 -13.053 55 3HG2 THR 7 3HG2 THR 7 22.766 3.496 -12.973 56 H PHE 8 H PHE 8 22.998 7.109 -12.109 57 HA PHE 8 HA PHE 8 21.036 8.783 -10.773 58 1HB PHE 8 1HB PHE 8 22.429 10.848 -11.381 59 2HB PHE 8 2HB PHE 8 22.942 9.918 -9.977 60 HD1 PHE 8 1HD PHE 8 24.920 8.456 -10.117 61 HD2 PHE 8 2HD PHE 8 23.799 11.037 -13.311 62 HE1 PHE 8 1HE PHE 8 27.167 8.220 -11.092 63 HE2 PHE 8 2HE PHE 8 26.043 10.804 -14.291 64 HZ PHE 8 HZ PHE 8 27.731 9.394 -13.183 65 H GLY 9 H GLY 9 20.916 10.906 -12.440 66 1HA GLY 9 2HA GLY 9 19.422 10.113 -14.574 67 2HA GLY 9 1HA GLY 9 20.331 11.617 -14.555 68 H GLU 10 H GLU 10 20.073 8.467 -15.873 69 HA GLU 10 HA GLU 10 22.589 8.859 -17.356 70 1HB GLU 10 1HB GLU 10 21.287 6.456 -16.217 71 2HB GLU 10 2HB GLU 10 22.030 6.257 -17.798 72 1HG GLU 10 1HG GLU 10 23.561 7.540 -15.582 73 2HG GLU 10 2HG GLU 10 23.404 5.785 -15.654 74 H ASP 11 H ASP 11 19.198 8.673 -17.576 75 HA ASP 11 HA ASP 11 19.217 9.272 -20.358 76 1HB ASP 11 1HB ASP 11 19.487 6.646 -20.053 77 2HB ASP 11 2HB ASP 11 17.741 6.733 -19.840 78 H THR 12 H THR 12 17.062 7.680 -18.000 79 HA THR 12 HA THR 12 15.421 9.930 -17.600 80 HB THR 12 HB THR 12 14.780 9.463 -19.965 81 HG1 THR 12 1HG THR 12 12.621 9.767 -19.537 82 1HG2 THR 12 1HG2 THR 12 14.347 7.391 -20.656 83 2HG2 THR 12 2HG2 THR 12 13.037 7.252 -19.484 84 3HG2 THR 12 3HG2 THR 12 14.678 6.795 -19.030 85 H VAL 13 H VAL 13 13.172 9.163 -16.690 86 HA VAL 13 HA VAL 13 13.790 7.230 -14.627 87 HB VAL 13 HB VAL 13 11.095 8.497 -14.921 88 1HG1 VAL 13 1HG1 VAL 13 12.836 7.622 -12.631 89 2HG1 VAL 13 2HG1 VAL 13 11.382 8.596 -12.406 90 3HG1 VAL 13 3HG1 VAL 13 11.265 6.985 -13.115 91 1HG2 VAL 13 1HG2 VAL 13 12.118 10.400 -13.507 92 2HG2 VAL 13 2HG2 VAL 13 13.654 9.879 -14.201 93 3HG2 VAL 13 3HG2 VAL 13 12.350 10.425 -15.255 94 H TRP 14 H TRP 14 12.188 5.552 -14.031 95 HA TRP 14 HA TRP 14 11.034 3.651 -14.503 96 1HB TRP 14 1HB TRP 14 9.912 5.511 -16.588 97 2HB TRP 14 2HB TRP 14 9.383 3.835 -16.471 98 HD1 TRP 14 HD TRP 14 9.590 6.960 -14.175 99 HE1 TRP 14 1HE TRP 14 7.582 6.891 -12.566 100 HE3 TRP 14 3HE TRP 14 7.571 2.481 -15.589 101 HZ2 TRP 14 2HZ TRP 14 5.428 5.166 -11.974 102 HZ3 TRP 14 3HZ TRP 14 5.537 1.693 -14.451 103 HH2 TRP 14 HH TRP 14 4.490 3.008 -12.681 104 H GLU 15 H GLU 15 13.637 4.421 -15.937 105 HA GLU 15 HA GLU 15 13.614 2.122 -17.743 106 1HB GLU 15 1HB GLU 15 14.140 4.942 -18.508 107 2HB GLU 15 2HB GLU 15 15.208 3.722 -19.190 108 1HG GLU 15 1HG GLU 15 12.384 3.021 -19.366 109 2HG GLU 15 2HG GLU 15 12.802 4.502 -20.225 110 H VAL 16 H VAL 16 15.458 4.536 -15.960 111 HA VAL 16 HA VAL 16 17.667 2.593 -15.752 112 HB VAL 16 HB VAL 16 18.147 5.527 -15.416 113 1HG1 VAL 16 1HG1 VAL 16 19.705 3.103 -15.563 114 2HG1 VAL 16 2HG1 VAL 16 20.244 4.279 -16.764 115 3HG1 VAL 16 3HG1 VAL 16 20.189 4.722 -15.057 116 1HG2 VAL 16 1HG2 VAL 16 18.732 5.664 -17.821 117 2HG2 VAL 16 2HG2 VAL 16 18.017 4.068 -18.054 118 3HG2 VAL 16 3HG2 VAL 16 17.008 5.420 -17.539 119 H GLN 17 H GLN 17 15.706 5.016 -14.139 120 HA GLN 17 HA GLN 17 16.933 5.215 -11.687 121 1HB GLN 17 1HB GLN 17 15.115 6.612 -11.869 122 2HB GLN 17 2HB GLN 17 14.100 5.374 -12.596 123 1HG GLN 17 1HG GLN 17 13.648 4.375 -10.517 124 2HG GLN 17 2HG GLN 17 14.942 5.267 -9.719 125 1HE2 GLN 17 1HE2 GLN 17 11.713 5.415 -10.989 126 2HE2 GLN 17 2HE2 GLN 17 11.271 6.912 -10.248 127 H GLY 18 H GLY 18 14.699 2.696 -12.802 128 1HA GLY 18 2HA GLY 18 14.660 0.463 -12.139 129 2HA GLY 18 1HA GLY 18 15.847 0.838 -10.898 130 H TYR 19 H TYR 19 12.770 2.487 -11.380 131 HA TYR 19 HA TYR 19 11.524 1.085 -9.177 132 1HB TYR 19 1HB TYR 19 12.695 3.792 -8.894 133 2HB TYR 19 2HB TYR 19 11.081 3.571 -8.228 134 HD1 TYR 19 1HD TYR 19 10.704 1.960 -6.399 135 HD2 TYR 19 2HD TYR 19 14.611 2.774 -7.874 136 HE1 TYR 19 1HE TYR 19 11.672 0.938 -4.382 137 HE2 TYR 19 2HE TYR 19 15.590 1.753 -5.862 138 HH TYR 19 HH TYR 19 15.115 1.069 -3.728 139 H LYS 20 H LYS 20 9.293 1.917 -8.770 140 HA LYS 20 HA LYS 20 8.141 3.334 -11.062 141 1HB LYS 20 1HB LYS 20 7.395 0.588 -10.092 142 2HB LYS 20 2HB LYS 20 6.219 1.604 -10.915 143 1HG LYS 20 1HG LYS 20 7.077 0.320 -12.630 144 2HG LYS 20 2HG LYS 20 8.023 1.805 -12.751 145 1HD LYS 20 1HD LYS 20 9.943 0.783 -12.142 146 2HD LYS 20 2HD LYS 20 9.135 -0.268 -10.977 147 1HE LYS 20 1HE LYS 20 9.992 -1.655 -12.713 148 2HE LYS 20 2HE LYS 20 8.243 -1.578 -12.917 149 1HZ LYS 20 1HZ LYS 20 9.128 0.485 -14.428 150 2HZ LYS 20 2HZ LYS 20 8.716 -1.047 -15.015 151 3HZ LYS 20 3HZ LYS 20 10.331 -0.679 -14.674 152 H ASN 21 H ASN 21 5.571 3.421 -10.527 153 HA ASN 21 HA ASN 21 5.271 4.182 -7.707 154 1HB ASN 21 1HB ASN 21 4.427 5.862 -10.079 155 2HB ASN 21 2HB ASN 21 4.046 6.220 -8.397 156 1HD2 ASN 21 1HD2 ASN 21 6.736 5.712 -10.623 157 2HD2 ASN 21 2HD2 ASN 21 7.834 6.778 -9.821 158 H VAL 22 H VAL 22 3.781 2.804 -6.981 159 HA VAL 22 HA VAL 22 1.390 2.333 -8.641 160 HB VAL 22 HB VAL 22 2.568 0.263 -8.343 161 1HG1 VAL 22 1HG1 VAL 22 3.845 -0.107 -6.567 162 2HG1 VAL 22 2HG1 VAL 22 3.216 1.352 -5.799 163 3HG1 VAL 22 3HG1 VAL 22 2.408 -0.196 -5.550 164 1HG2 VAL 22 1HG2 VAL 22 0.721 -0.928 -7.902 165 2HG2 VAL 22 2HG2 VAL 22 0.548 -0.245 -6.286 166 3HG2 VAL 22 3HG2 VAL 22 -0.056 0.641 -7.686 167 H ARG 23 H ARG 23 -0.363 3.328 -7.919 168 HA ARG 23 HA ARG 23 -0.514 4.141 -5.118 169 1HB ARG 23 1HB ARG 23 -1.600 5.127 -7.649 170 2HB ARG 23 2HB ARG 23 -2.787 5.100 -6.352 171 1HG ARG 23 1HG ARG 23 -1.830 7.232 -6.268 172 2HG ARG 23 2HG ARG 23 -1.065 6.335 -4.954 173 1HD ARG 23 1HD ARG 23 0.967 6.440 -5.904 174 2HD ARG 23 2HD ARG 23 0.331 6.140 -7.521 175 HE ARG 23 HE ARG 23 -0.227 8.774 -6.493 176 1HH1 ARG 23 2HH1 ARG 23 2.019 6.779 -8.253 177 2HH1 ARG 23 1HH1 ARG 23 2.752 8.110 -9.084 178 1HH2 ARG 23 2HH2 ARG 23 0.731 10.536 -7.581 179 2HH2 ARG 23 1HH2 ARG 23 2.020 10.247 -8.700 180 H ILE 24 H ILE 24 -2.486 3.824 -3.898 181 HA ILE 24 HA ILE 24 -4.029 1.466 -4.756 182 HB ILE 24 HB ILE 24 -3.021 2.034 -1.966 183 1HG1 ILE 24 1HG1 ILE 24 -2.049 -0.371 -2.471 184 2HG1 ILE 24 2HG1 ILE 24 -2.202 0.155 -4.143 185 1HG2 ILE 24 1HG2 ILE 24 -4.034 -0.492 -1.920 186 2HG2 ILE 24 2HG2 ILE 24 -4.883 0.946 -1.355 187 3HG2 ILE 24 3HG2 ILE 24 -5.175 0.331 -2.982 188 1HD1 ILE 24 1HD1 ILE 24 -0.165 1.002 -3.870 189 2HD1 ILE 24 2HD1 ILE 24 -0.960 2.287 -2.960 190 3HD1 ILE 24 3HD1 ILE 24 -0.263 0.907 -2.112 191 H THR 25 H THR 25 -6.193 1.556 -4.466 192 HA THR 25 HA THR 25 -7.434 3.392 -2.640 193 HB THR 25 HB THR 25 -7.725 3.896 -5.608 194 HG1 THR 25 1HG THR 25 -6.649 5.465 -3.484 195 1HG2 THR 25 1HG2 THR 25 -9.097 5.888 -4.631 196 2HG2 THR 25 2HG2 THR 25 -9.279 4.834 -3.229 197 3HG2 THR 25 3HG2 THR 25 -9.860 4.308 -4.809 198 H PHE 26 H PHE 26 -8.230 1.293 -1.983 199 HA PHE 26 HA PHE 26 -10.436 0.342 -3.691 200 1HB PHE 26 1HB PHE 26 -8.688 -1.349 -3.546 201 2HB PHE 26 2HB PHE 26 -8.709 -1.254 -1.788 202 HD1 PHE 26 1HD PHE 26 -10.778 -2.156 -4.727 203 HD2 PHE 26 2HD PHE 26 -10.162 -2.583 -0.537 204 HE1 PHE 26 1HE PHE 26 -12.491 -3.921 -4.658 205 HE2 PHE 26 2HE PHE 26 -11.873 -4.349 -0.462 206 HZ PHE 26 HZ PHE 26 -13.039 -5.021 -2.524 207 H GLU 27 H GLU 27 -9.542 -0.320 -0.319 208 HA GLU 27 HA GLU 27 -11.417 1.313 0.931 209 1HB GLU 27 1HB GLU 27 -12.622 -0.911 -0.368 210 2HB GLU 27 2HB GLU 27 -12.712 -1.196 1.365 211 1HG GLU 27 1HG GLU 27 -13.450 1.512 0.503 212 2HG GLU 27 2HG GLU 27 -14.520 0.223 -0.046 213 H LEU 28 H LEU 28 -11.059 1.311 3.082 214 HA LEU 28 HA LEU 28 -9.891 -1.044 4.351 215 1HB LEU 28 1HB LEU 28 -8.369 1.211 3.569 216 2HB LEU 28 2HB LEU 28 -8.503 1.250 5.325 217 HG LEU 28 HG LEU 28 -6.461 0.127 4.607 218 1HD1 LEU 28 1HD1 LEU 28 -6.563 -1.496 6.192 219 2HD1 LEU 28 2HD1 LEU 28 -8.107 -2.122 5.616 220 3HD1 LEU 28 3HD1 LEU 28 -8.059 -0.646 6.580 221 1HD2 LEU 28 1HD2 LEU 28 -7.818 -0.785 2.496 222 2HD2 LEU 28 2HD2 LEU 28 -7.941 -2.203 3.538 223 3HD2 LEU 28 3HD2 LEU 28 -6.355 -1.564 3.101 224 H ASP 29 H ASP 29 -10.704 2.376 4.959 225 HA ASP 29 HA ASP 29 -12.198 1.491 7.338 226 1HB ASP 29 1HB ASP 29 -10.759 4.136 7.149 227 2HB ASP 29 2HB ASP 29 -11.454 3.378 8.580 228 H GLU 30 H GLU 30 -13.462 3.715 8.091 229 HA GLU 30 HA GLU 30 -14.979 4.548 5.706 230 1HB GLU 30 1HB GLU 30 -16.959 4.713 7.243 231 2HB GLU 30 2HB GLU 30 -16.376 3.078 6.964 232 1HG GLU 30 1HG GLU 30 -15.890 2.759 9.114 233 2HG GLU 30 2HG GLU 30 -15.159 4.355 9.282 234 H ARG 31 H ARG 31 -13.596 5.469 8.781 235 HA ARG 31 HA ARG 31 -14.295 8.277 8.236 236 1HB ARG 31 1HB ARG 31 -14.031 8.710 10.597 237 2HB ARG 31 2HB ARG 31 -15.127 7.351 10.383 238 1HG ARG 31 1HG ARG 31 -13.350 5.797 10.940 239 2HG ARG 31 2HG ARG 31 -12.208 7.135 11.089 240 1HD ARG 31 1HD ARG 31 -14.717 6.922 12.738 241 2HD ARG 31 2HD ARG 31 -13.172 6.244 13.250 242 HE ARG 31 HE ARG 31 -12.568 8.822 12.685 243 1HH1 ARG 31 2HH1 ARG 31 -14.981 7.302 14.681 244 2HH1 ARG 31 1HH1 ARG 31 -15.046 8.605 15.821 245 1HH2 ARG 31 2HH2 ARG 31 -12.644 10.544 14.179 246 2HH2 ARG 31 1HH2 ARG 31 -13.717 10.448 15.534 247 H VAL 32 H VAL 32 -11.688 6.055 8.996 248 HA VAL 32 HA VAL 32 -9.740 8.237 8.690 249 HB VAL 32 HB VAL 32 -8.099 6.748 9.713 250 1HG1 VAL 32 1HG1 VAL 32 -10.024 6.334 11.779 251 2HG1 VAL 32 2HG1 VAL 32 -8.758 7.559 11.672 252 3HG1 VAL 32 3HG1 VAL 32 -10.352 7.874 10.986 253 1HG2 VAL 32 1HG2 VAL 32 -8.702 4.590 9.056 254 2HG2 VAL 32 2HG2 VAL 32 -9.043 4.614 10.786 255 3HG2 VAL 32 3HG2 VAL 32 -10.361 4.779 9.625 256 H ASP 33 H ASP 33 -11.022 7.253 6.392 257 HA ASP 33 HA ASP 33 -9.209 5.384 5.112 258 1HB ASP 33 1HB ASP 33 -11.336 4.959 4.344 259 2HB ASP 33 2HB ASP 33 -11.813 6.653 4.409 260 H LYS 34 H LYS 34 -10.224 8.762 4.653 261 HA LYS 34 HA LYS 34 -8.586 9.397 2.503 262 1HB LYS 34 1HB LYS 34 -9.216 11.564 2.852 263 2HB LYS 34 2HB LYS 34 -10.420 10.769 3.859 264 1HG LYS 34 1HG LYS 34 -7.808 11.841 4.899 265 2HG LYS 34 2HG LYS 34 -9.324 12.745 4.905 266 1HD LYS 34 1HD LYS 34 -9.280 10.018 6.103 267 2HD LYS 34 2HD LYS 34 -8.555 11.350 7.005 268 1HE LYS 34 1HE LYS 34 -11.049 12.241 5.994 269 2HE LYS 34 2HE LYS 34 -11.305 10.662 6.734 270 1HZ LYS 34 1HZ LYS 34 -11.585 12.417 8.350 271 2HZ LYS 34 2HZ LYS 34 -10.032 13.008 8.035 272 3HZ LYS 34 3HZ LYS 34 -10.228 11.486 8.747 273 H VAL 35 H VAL 35 -7.774 8.852 5.808 274 HA VAL 35 HA VAL 35 -5.325 10.291 5.878 275 HB VAL 35 HB VAL 35 -6.143 7.901 7.536 276 1HG1 VAL 35 1HG1 VAL 35 -3.777 8.264 7.690 277 2HG1 VAL 35 2HG1 VAL 35 -4.012 9.995 7.936 278 3HG1 VAL 35 3HG1 VAL 35 -4.528 8.849 9.174 279 1HG2 VAL 35 1HG2 VAL 35 -7.803 9.489 7.936 280 2HG2 VAL 35 2HG2 VAL 35 -6.637 9.775 9.228 281 3HG2 VAL 35 3HG2 VAL 35 -6.673 10.838 7.821 282 H LEU 36 H LEU 36 -6.258 7.231 4.583 283 HA LEU 36 HA LEU 36 -3.475 6.360 4.335 284 1HB LEU 36 1HB LEU 36 -4.258 4.219 3.929 285 2HB LEU 36 2HB LEU 36 -5.406 4.853 5.106 286 HG LEU 36 HG LEU 36 -6.563 5.455 2.662 287 1HD1 LEU 36 1HD1 LEU 36 -5.350 4.138 1.245 288 2HD1 LEU 36 2HD1 LEU 36 -6.573 2.979 1.767 289 3HD1 LEU 36 3HD1 LEU 36 -4.966 2.952 2.494 290 1HD2 LEU 36 1HD2 LEU 36 -7.397 4.428 4.931 291 2HD2 LEU 36 2HD2 LEU 36 -7.220 2.906 4.057 292 3HD2 LEU 36 3HD2 LEU 36 -8.290 4.162 3.433 293 H ASN 37 H ASN 37 -5.538 8.267 2.670 294 HA ASN 37 HA ASN 37 -4.384 7.489 0.072 295 1HB ASN 37 1HB ASN 37 -6.383 7.728 -0.964 296 2HB ASN 37 2HB ASN 37 -7.044 7.493 0.652 297 1HD2 ASN 37 1HD2 ASN 37 -7.505 9.237 -1.948 298 2HD2 ASN 37 2HD2 ASN 37 -7.992 10.749 -1.269 299 H GLU 38 H GLU 38 -4.447 9.802 2.478 300 HA GLU 38 HA GLU 38 -3.501 11.882 0.616 301 1HB GLU 38 1HB GLU 38 -4.517 13.549 1.853 302 2HB GLU 38 2HB GLU 38 -5.688 12.246 1.998 303 1HG GLU 38 1HG GLU 38 -4.728 11.659 4.186 304 2HG GLU 38 2HG GLU 38 -3.621 13.022 4.043 305 H LYS 39 H LYS 39 -2.970 10.142 3.589 306 HA LYS 39 HA LYS 39 -0.545 11.671 4.161 307 1HB LYS 39 1HB LYS 39 -2.396 10.738 5.858 308 2HB LYS 39 2HB LYS 39 -1.327 9.341 5.833 309 1HG LYS 39 1HG LYS 39 -0.211 10.386 7.451 310 2HG LYS 39 2HG LYS 39 0.428 11.414 6.166 311 1HD LYS 39 1HD LYS 39 -0.401 12.857 7.865 312 2HD LYS 39 2HD LYS 39 -1.553 12.921 6.529 313 1HE LYS 39 1HE LYS 39 -3.178 11.827 7.700 314 2HE LYS 39 2HE LYS 39 -2.021 10.909 8.662 315 1HZ LYS 39 1HZ LYS 39 -3.405 12.838 9.713 316 2HZ LYS 39 2HZ LYS 39 -2.187 13.810 9.056 317 3HZ LYS 39 3HZ LYS 39 -1.793 12.594 10.164 318 H CYS 40 H CYS 40 -1.497 8.890 2.512 319 HA CYS 40 HA CYS 40 1.076 8.206 1.685 320 1HB CYS 40 1HB CYS 40 1.214 5.940 2.855 321 2HB CYS 40 2HB CYS 40 1.601 7.355 3.826 322 HG CYS 40 HG CYS 40 -0.915 5.159 4.152 323 H SER 41 H SER 41 -0.154 8.224 -0.245 324 HA SER 41 HA SER 41 -1.834 5.833 -0.628 325 1HB SER 41 1HB SER 41 -3.378 7.066 -1.716 326 2HB SER 41 2HB SER 41 -2.583 8.462 -0.988 327 HG SER 41 HG SER 41 -2.886 8.176 -3.469 328 H VAL 42 H VAL 42 0.909 7.625 -1.684 329 HA VAL 42 HA VAL 42 1.216 5.884 -4.036 330 HB VAL 42 HB VAL 42 1.358 8.154 -4.707 331 1HG1 VAL 42 1HG1 VAL 42 1.715 9.586 -3.007 332 2HG1 VAL 42 2HG1 VAL 42 2.789 8.474 -2.157 333 3HG1 VAL 42 3HG1 VAL 42 3.403 9.443 -3.496 334 1HG2 VAL 42 1HG2 VAL 42 4.193 7.175 -4.394 335 2HG2 VAL 42 2HG2 VAL 42 3.070 6.630 -5.640 336 3HG2 VAL 42 3HG2 VAL 42 3.595 8.313 -5.601 337 H TYR 43 H TYR 43 3.042 4.649 -4.319 338 HA TYR 43 HA TYR 43 5.110 4.719 -2.252 339 1HB TYR 43 1HB TYR 43 3.844 2.110 -3.079 340 2HB TYR 43 2HB TYR 43 4.969 2.397 -1.757 341 HD1 TYR 43 1HD TYR 43 4.187 2.956 0.394 342 HD2 TYR 43 2HD TYR 43 1.505 3.055 -2.906 343 HE1 TYR 43 1HE TYR 43 2.300 3.241 1.945 344 HE2 TYR 43 2HE TYR 43 -0.390 3.341 -1.365 345 HH TYR 43 HH TYR 43 -0.664 2.625 1.366 346 H THR 44 H THR 44 7.007 3.372 -2.843 347 HA THR 44 HA THR 44 7.380 3.371 -5.765 348 HB THR 44 HB THR 44 9.848 3.247 -4.239 349 HG1 THR 44 1HG THR 44 8.514 5.718 -3.985 350 1HG2 THR 44 1HG2 THR 44 9.961 3.835 -6.518 351 2HG2 THR 44 2HG2 THR 44 10.263 5.338 -5.646 352 3HG2 THR 44 3HG2 THR 44 8.678 5.034 -6.357 353 H VAL 45 H VAL 45 8.262 1.607 -6.776 354 HA VAL 45 HA VAL 45 8.943 -0.718 -5.111 355 HB VAL 45 HB VAL 45 6.699 -1.166 -5.804 356 1HG1 VAL 45 1HG1 VAL 45 6.869 -1.269 -8.634 357 2HG1 VAL 45 2HG1 VAL 45 5.835 -0.249 -7.631 358 3HG1 VAL 45 3HG1 VAL 45 7.436 0.317 -8.112 359 1HG2 VAL 45 1HG2 VAL 45 6.975 -3.206 -7.046 360 2HG2 VAL 45 2HG2 VAL 45 8.527 -2.659 -7.683 361 3HG2 VAL 45 3HG2 VAL 45 8.354 -3.014 -5.964 362 H GLU 46 H GLU 46 10.933 -1.353 -5.582 363 HA GLU 46 HA GLU 46 12.461 -0.417 -7.716 364 1HB GLU 46 1HB GLU 46 12.905 -1.984 -5.461 365 2HB GLU 46 2HB GLU 46 13.313 -3.045 -6.802 366 1HG GLU 46 1HG GLU 46 14.448 -0.472 -7.274 367 2HG GLU 46 2HG GLU 46 14.876 -1.008 -5.650 368 H SER 47 H SER 47 13.668 -2.206 -9.152 369 HA SER 47 HA SER 47 11.608 -3.196 -10.924 370 1HB SER 47 1HB SER 47 13.960 -2.062 -11.470 371 2HB SER 47 2HB SER 47 14.491 -3.743 -11.446 372 HG SER 47 HG SER 47 13.244 -2.462 -13.392 373 H GLY 48 H GLY 48 12.978 -4.412 -8.225 374 1HA GLY 48 2HA GLY 48 12.596 -7.180 -9.168 375 2HA GLY 48 1HA GLY 48 13.994 -6.758 -8.190 376 H THR 49 H THR 49 10.442 -6.525 -8.144 377 HA THR 49 HA THR 49 10.529 -7.306 -5.308 378 HB THR 49 HB THR 49 8.386 -5.436 -6.218 379 HG1 THR 49 1HG THR 49 10.051 -3.807 -5.272 380 1HG2 THR 49 1HG2 THR 49 8.951 -4.630 -3.783 381 2HG2 THR 49 2HG2 THR 49 9.718 -6.214 -3.661 382 3HG2 THR 49 3HG2 THR 49 8.000 -6.092 -4.043 383 H GLU 50 H GLU 50 8.469 -8.207 -4.519 384 HA GLU 50 HA GLU 50 7.042 -9.619 -6.676 385 1HB GLU 50 1HB GLU 50 8.157 -10.523 -4.100 386 2HB GLU 50 2HB GLU 50 6.546 -11.126 -4.465 387 1HG GLU 50 1HG GLU 50 8.196 -11.372 -6.783 388 2HG GLU 50 2HG GLU 50 9.014 -12.090 -5.397 389 H VAL 51 H VAL 51 4.790 -10.109 -6.306 390 HA VAL 51 HA VAL 51 3.305 -7.895 -5.421 391 HB VAL 51 HB VAL 51 2.212 -10.688 -5.729 392 1HG1 VAL 51 1HG1 VAL 51 0.179 -9.486 -6.437 393 2HG1 VAL 51 2HG1 VAL 51 0.656 -9.092 -4.784 394 3HG1 VAL 51 3HG1 VAL 51 0.987 -7.956 -6.093 395 1HG2 VAL 51 1HG2 VAL 51 1.789 -9.308 -8.110 396 2HG2 VAL 51 2HG2 VAL 51 3.476 -8.999 -7.702 397 3HG2 VAL 51 3HG2 VAL 51 2.894 -10.657 -7.849 398 H THR 52 H THR 52 4.658 -10.503 -3.699 399 HA THR 52 HA THR 52 2.783 -10.323 -1.482 400 HB THR 52 HB THR 52 3.566 -12.539 -1.975 401 HG1 THR 52 1HG THR 52 3.342 -12.307 0.206 402 1HG2 THR 52 1HG2 THR 52 6.297 -11.296 -1.795 403 2HG2 THR 52 2HG2 THR 52 5.601 -12.246 -3.108 404 3HG2 THR 52 3HG2 THR 52 6.055 -13.030 -1.596 405 H GLU 53 H GLU 53 5.862 -9.076 -2.430 406 HA GLU 53 HA GLU 53 6.908 -8.470 0.123 407 1HB GLU 53 1HB GLU 53 7.803 -8.255 -2.477 408 2HB GLU 53 2HB GLU 53 7.622 -6.576 -1.989 409 1HG GLU 53 1HG GLU 53 9.558 -6.687 -0.937 410 2HG GLU 53 2HG GLU 53 8.896 -7.918 0.137 411 H PHE 54 H PHE 54 4.585 -6.886 -1.932 412 HA PHE 54 HA PHE 54 4.649 -4.386 -0.515 413 1HB PHE 54 1HB PHE 54 2.389 -5.293 -2.278 414 2HB PHE 54 2HB PHE 54 2.982 -3.658 -2.001 415 HD1 PHE 54 1HD PHE 54 2.740 -6.040 -4.406 416 HD2 PHE 54 2HD PHE 54 5.685 -3.562 -2.588 417 HE1 PHE 54 1HE PHE 54 4.125 -6.205 -6.433 418 HE2 PHE 54 2HE PHE 54 7.074 -3.723 -4.612 419 HZ PHE 54 HZ PHE 54 6.295 -5.045 -6.538 420 H ALA 55 H ALA 55 3.218 -7.421 -0.000 421 HA ALA 55 HA ALA 55 0.903 -6.521 1.437 422 1HB ALA 55 1HB ALA 55 0.278 -8.643 1.247 423 2HB ALA 55 2HB ALA 55 1.785 -8.953 0.384 424 3HB ALA 55 3HB ALA 55 1.702 -9.197 2.128 425 H CYS 56 H CYS 56 4.116 -6.391 2.152 426 HA CYS 56 HA CYS 56 3.605 -6.587 5.047 427 1HB CYS 56 1HB CYS 56 5.632 -7.832 3.444 428 2HB CYS 56 2HB CYS 56 6.395 -6.719 4.573 429 HG CYS 56 HG CYS 56 4.806 -7.943 6.743 430 H VAL 57 H VAL 57 3.919 -4.435 2.662 431 HA VAL 57 HA VAL 57 5.391 -2.503 4.335 432 HB VAL 57 HB VAL 57 6.428 -3.070 2.099 433 1HG1 VAL 57 1HG1 VAL 57 5.401 -2.651 0.127 434 2HG1 VAL 57 2HG1 VAL 57 3.947 -2.898 1.096 435 3HG1 VAL 57 3HG1 VAL 57 4.515 -1.263 0.757 436 1HG2 VAL 57 1HG2 VAL 57 5.620 -0.212 2.627 437 2HG2 VAL 57 2HG2 VAL 57 7.023 -1.047 3.294 438 3HG2 VAL 57 3HG2 VAL 57 6.935 -0.716 1.564 439 H VAL 58 H VAL 58 2.486 -3.199 2.575 440 HA VAL 58 HA VAL 58 1.461 -0.488 2.993 441 HB VAL 58 HB VAL 58 0.058 -2.762 1.595 442 1HG1 VAL 58 1HG1 VAL 58 -0.399 0.177 1.868 443 2HG1 VAL 58 2HG1 VAL 58 -0.959 -0.669 0.424 444 3HG1 VAL 58 3HG1 VAL 58 -1.544 -1.156 2.015 445 1HG2 VAL 58 1HG2 VAL 58 1.547 -2.603 -0.048 446 2HG2 VAL 58 2HG2 VAL 58 0.994 -0.950 -0.317 447 3HG2 VAL 58 3HG2 VAL 58 2.365 -1.259 0.749 448 H ALA 59 H ALA 59 1.624 -3.306 4.680 449 HA ALA 59 HA ALA 59 -1.042 -3.051 5.875 450 1HB ALA 59 1HB ALA 59 -0.737 -5.212 6.793 451 2HB ALA 59 2HB ALA 59 -0.165 -5.292 5.126 452 3HB ALA 59 3HB ALA 59 0.993 -5.190 6.452 453 H GLU 60 H GLU 60 2.283 -2.385 6.467 454 HA GLU 60 HA GLU 60 1.738 -1.884 9.312 455 1HB GLU 60 1HB GLU 60 4.508 -1.666 8.297 456 2HB GLU 60 2HB GLU 60 3.907 -2.372 9.791 457 1HG GLU 60 1HG GLU 60 2.978 -4.227 8.227 458 2HG GLU 60 2HG GLU 60 4.172 -3.605 7.090 459 H ALA 61 H ALA 61 3.358 -0.437 6.495 460 HA ALA 61 HA ALA 61 3.996 2.033 7.539 461 1HB ALA 61 1HB ALA 61 4.032 2.863 5.282 462 2HB ALA 61 2HB ALA 61 4.644 1.209 5.293 463 3HB ALA 61 3HB ALA 61 3.003 1.538 4.736 464 H VAL 62 H VAL 62 0.880 0.808 6.555 465 HA VAL 62 HA VAL 62 -0.442 3.344 6.505 466 HB VAL 62 HB VAL 62 -1.578 0.553 6.723 467 1HG1 VAL 62 1HG1 VAL 62 -3.458 2.293 5.594 468 2HG1 VAL 62 2HG1 VAL 62 -3.528 1.517 7.177 469 3HG1 VAL 62 3HG1 VAL 62 -2.826 3.127 7.013 470 1HG2 VAL 62 1HG2 VAL 62 -1.912 0.628 4.389 471 2HG2 VAL 62 2HG2 VAL 62 -1.540 2.350 4.311 472 3HG2 VAL 62 3HG2 VAL 62 -0.259 1.186 4.649 473 H VAL 63 H VAL 63 -0.342 0.656 8.833 474 HA VAL 63 HA VAL 63 -2.051 1.577 10.765 475 HB VAL 63 HB VAL 63 0.575 0.134 11.133 476 1HG1 VAL 63 1HG1 VAL 63 -0.921 -0.518 13.309 477 2HG1 VAL 63 2HG1 VAL 63 0.357 0.699 13.295 478 3HG1 VAL 63 3HG1 VAL 63 -1.328 1.185 13.101 479 1HG2 VAL 63 1HG2 VAL 63 -2.175 -1.026 11.399 480 2HG2 VAL 63 2HG2 VAL 63 -1.400 -0.882 9.821 481 3HG2 VAL 63 3HG2 VAL 63 -0.646 -1.848 11.089 482 H LYS 64 H LYS 64 1.343 2.478 10.298 483 HA LYS 64 HA LYS 64 1.771 4.005 12.554 484 1HB LYS 64 1HB LYS 64 2.763 4.741 9.799 485 2HB LYS 64 2HB LYS 64 3.519 5.119 11.341 486 1HG LYS 64 1HG LYS 64 3.832 2.665 11.696 487 2HG LYS 64 2HG LYS 64 3.268 2.418 10.042 488 1HD LYS 64 1HD LYS 64 5.154 3.347 9.117 489 2HD LYS 64 2HD LYS 64 5.474 4.362 10.525 490 1HE LYS 64 1HE LYS 64 6.555 2.691 11.654 491 2HE LYS 64 2HE LYS 64 5.642 1.412 10.854 492 1HZ LYS 64 1HZ LYS 64 6.919 2.063 8.786 493 2HZ LYS 64 2HZ LYS 64 7.797 1.269 9.995 494 3HZ LYS 64 3HZ LYS 64 7.944 2.943 9.804 495 H THR 65 H THR 65 0.447 5.091 9.434 496 HA THR 65 HA THR 65 -0.208 7.690 10.552 497 HB THR 65 HB THR 65 -0.906 8.321 8.339 498 HG1 THR 65 1HG THR 65 -1.790 6.823 7.145 499 1HG2 THR 65 1HG2 THR 65 1.580 6.608 8.241 500 2HG2 THR 65 2HG2 THR 65 1.494 8.314 8.682 501 3HG2 THR 65 3HG2 THR 65 1.132 7.810 7.031 502 H LEU 66 H LEU 66 -1.601 4.751 10.751 503 HA LEU 66 HA LEU 66 -4.317 5.889 10.830 504 1HB LEU 66 1HB LEU 66 -3.317 3.297 9.766 505 2HB LEU 66 2HB LEU 66 -4.912 3.336 10.514 506 HG LEU 66 HG LEU 66 -4.889 3.551 8.016 507 1HD1 LEU 66 1HD1 LEU 66 -6.866 4.521 8.269 508 2HD1 LEU 66 2HD1 LEU 66 -6.116 6.062 8.684 509 3HD1 LEU 66 3HD1 LEU 66 -6.431 4.867 9.943 510 1HD2 LEU 66 1HD2 LEU 66 -2.824 5.175 8.249 511 2HD2 LEU 66 2HD2 LEU 66 -4.091 6.399 8.341 512 3HD2 LEU 66 3HD2 LEU 66 -3.982 5.346 6.929 513 H GLN 67 H GLN 67 -2.299 5.737 12.945 514 HA GLN 67 HA GLN 67 -3.808 4.067 14.843 515 1HB GLN 67 1HB GLN 67 -1.678 3.698 16.070 516 2HB GLN 67 2HB GLN 67 -1.691 2.978 14.465 517 1HG GLN 67 1HG GLN 67 0.185 4.038 13.994 518 2HG GLN 67 2HG GLN 67 -0.650 5.579 14.184 519 1HE2 GLN 67 1HE2 GLN 67 1.080 3.069 15.954 520 2HE2 GLN 67 2HE2 GLN 67 1.698 4.110 17.186 521 HA PRO 68 HA PRO 68 -3.087 8.634 16.112 522 1HB PRO 68 1HB PRO 68 -5.481 9.686 15.383 523 2HB PRO 68 2HB PRO 68 -4.070 9.680 14.318 524 1HG PRO 68 1HG PRO 68 -6.421 7.827 14.359 525 2HG PRO 68 2HG PRO 68 -5.601 8.564 12.970 526 1HD PRO 68 1HD PRO 68 -5.151 6.007 13.739 527 2HD PRO 68 2HD PRO 68 -3.893 7.016 12.997 528 H VAL 69 H VAL 69 -6.237 6.954 16.076 529 HA VAL 69 HA VAL 69 -6.274 6.979 18.987 530 HB VAL 69 HB VAL 69 -8.709 7.781 18.902 531 1HG1 VAL 69 1HG1 VAL 69 -7.123 10.131 18.200 532 2HG1 VAL 69 2HG1 VAL 69 -7.949 9.727 19.707 533 3HG1 VAL 69 3HG1 VAL 69 -6.343 9.075 19.377 534 1HG2 VAL 69 1HG2 VAL 69 -8.847 7.632 16.410 535 2HG2 VAL 69 2HG2 VAL 69 -9.366 9.180 17.077 536 3HG2 VAL 69 3HG2 VAL 69 -7.779 9.032 16.323 537 H SER 70 H SER 70 -5.868 4.705 17.966 538 HA SER 70 HA SER 70 -8.099 3.311 16.887 539 1HB SER 70 1HB SER 70 -6.729 1.265 17.423 540 2HB SER 70 2HB SER 70 -5.894 2.466 16.438 541 HG SER 70 HG SER 70 -4.474 2.663 17.963 542 H ASP 71 H ASP 71 -7.430 4.410 19.982 543 HA ASP 71 HA ASP 71 -8.471 2.311 21.566 544 1HB ASP 71 1HB ASP 71 -8.646 3.991 23.340 545 2HB ASP 71 2HB ASP 71 -7.103 4.126 22.502 546 H LEU 72 H LEU 72 -9.967 4.431 19.409 547 HA LEU 72 HA LEU 72 -12.578 4.147 20.727 548 1HB LEU 72 1HB LEU 72 -13.342 5.976 19.473 549 2HB LEU 72 2HB LEU 72 -11.725 6.418 20.018 550 HG LEU 72 HG LEU 72 -11.080 5.463 17.619 551 1HD1 LEU 72 1HD1 LEU 72 -13.143 4.798 16.778 552 2HD1 LEU 72 2HD1 LEU 72 -12.897 6.386 16.053 553 3HD1 LEU 72 3HD1 LEU 72 -13.976 6.207 17.436 554 1HD2 LEU 72 1HD2 LEU 72 -10.993 7.717 16.844 555 2HD2 LEU 72 2HD2 LEU 72 -10.680 7.738 18.579 556 3HD2 LEU 72 3HD2 LEU 72 -12.264 8.212 17.963 557 H LEU 73 H LEU 73 -10.711 3.134 18.012 558 HA LEU 73 HA LEU 73 -12.934 2.270 16.411 559 1HB LEU 73 1HB LEU 73 -10.115 1.287 16.133 560 2HB LEU 73 2HB LEU 73 -11.349 1.460 14.887 561 HG LEU 73 HG LEU 73 -10.028 3.786 16.278 562 1HD1 LEU 73 1HD1 LEU 73 -8.352 3.795 14.787 563 2HD1 LEU 73 2HD1 LEU 73 -9.380 3.232 13.470 564 3HD1 LEU 73 3HD1 LEU 73 -8.721 2.078 14.630 565 1HD2 LEU 73 1HD2 LEU 73 -11.434 3.821 13.635 566 2HD2 LEU 73 2HD2 LEU 73 -11.102 5.154 14.742 567 3HD2 LEU 73 3HD2 LEU 73 -12.342 3.963 15.141 568 H THR 74 H THR 74 -11.008 0.931 18.952 569 HA THR 74 HA THR 74 -11.429 -1.813 18.450 570 HB THR 74 HB THR 74 -11.302 -1.243 21.282 571 HG1 THR 74 1HG THR 74 -9.315 -0.013 19.645 572 1HG2 THR 74 1HG2 THR 74 -9.857 -2.773 19.224 573 2HG2 THR 74 2HG2 THR 74 -10.317 -3.231 20.863 574 3HG2 THR 74 3HG2 THR 74 -8.878 -2.250 20.593 575 H ASN 75 H ASN 75 -13.527 0.641 19.556 576 HA ASN 75 HA ASN 75 -15.418 -1.342 20.622 577 1HB ASN 75 1HB ASN 75 -16.591 0.634 21.610 578 2HB ASN 75 2HB ASN 75 -14.953 0.408 22.214 579 1HD2 ASN 75 1HD2 ASN 75 -16.851 2.196 19.838 580 2HD2 ASN 75 2HD2 ASN 75 -15.855 3.608 19.842 581 H MET 76 H MET 76 -14.731 0.373 17.866 582 HA MET 76 HA MET 76 -17.520 0.741 17.076 583 1HB MET 76 1HB MET 76 -14.949 1.873 16.263 584 2HB MET 76 2HB MET 76 -15.975 1.445 14.901 585 1HG MET 76 1HG MET 76 -17.802 2.722 16.276 586 2HG MET 76 2HG MET 76 -16.399 3.474 17.033 587 1HE MET 76 1HE MET 76 -14.538 4.920 13.910 588 2HE MET 76 2HE MET 76 -14.322 3.978 15.386 589 3HE MET 76 3HE MET 76 -14.617 3.159 13.851 590 H GLY 77 H GLY 77 -14.810 -1.360 16.555 591 1HA GLY 77 2HA GLY 77 -15.481 -3.630 15.794 592 2HA GLY 77 1HA GLY 77 -16.387 -2.820 14.525 593 H ILE 78 H ILE 78 -13.383 -1.395 15.309 594 HA ILE 78 HA ILE 78 -12.074 -2.784 13.068 595 HB ILE 78 HB ILE 78 -12.133 0.190 13.572 596 1HG1 ILE 78 1HG1 ILE 78 -12.892 -1.434 11.134 597 2HG1 ILE 78 2HG1 ILE 78 -14.038 -0.804 12.313 598 1HG2 ILE 78 1HG2 ILE 78 -10.634 0.273 11.533 599 2HG2 ILE 78 2HG2 ILE 78 -9.885 -0.275 13.032 600 3HG2 ILE 78 3HG2 ILE 78 -10.343 -1.447 11.796 601 1HD1 ILE 78 1HD1 ILE 78 -12.631 0.554 10.132 602 2HD1 ILE 78 2HD1 ILE 78 -14.193 0.901 10.874 603 3HD1 ILE 78 3HD1 ILE 78 -12.708 1.450 11.649 604 H ASP 79 H ASP 79 -10.468 -3.890 13.983 605 HA ASP 79 HA ASP 79 -9.077 -2.867 16.310 606 1HB ASP 79 1HB ASP 79 -9.628 -5.424 15.294 607 2HB ASP 79 2HB ASP 79 -7.881 -5.235 15.161 608 H LEU 80 H LEU 80 -7.174 -1.850 16.309 609 HA LEU 80 HA LEU 80 -5.880 -1.339 13.753 610 1HB LEU 80 1HB LEU 80 -6.408 0.451 15.459 611 2HB LEU 80 2HB LEU 80 -5.121 -0.236 16.448 612 HG LEU 80 HG LEU 80 -4.553 1.818 15.065 613 1HD1 LEU 80 1HD1 LEU 80 -2.387 1.200 15.117 614 2HD1 LEU 80 2HD1 LEU 80 -2.678 -0.298 14.235 615 3HD1 LEU 80 3HD1 LEU 80 -3.030 -0.209 15.960 616 1HD2 LEU 80 1HD2 LEU 80 -5.719 1.072 13.017 617 2HD2 LEU 80 2HD2 LEU 80 -4.520 -0.208 12.831 618 3HD2 LEU 80 3HD2 LEU 80 -4.027 1.483 12.734 619 H ASP 81 H ASP 81 -5.315 -3.041 16.747 620 HA ASP 81 HA ASP 81 -2.526 -3.485 16.338 621 1HB ASP 81 1HB ASP 81 -4.566 -4.277 18.288 622 2HB ASP 81 2HB ASP 81 -3.357 -5.523 17.993 623 H GLU 82 H GLU 82 -5.410 -4.967 15.171 624 HA GLU 82 HA GLU 82 -4.236 -7.499 14.515 625 1HB GLU 82 1HB GLU 82 -6.311 -8.093 13.678 626 2HB GLU 82 2HB GLU 82 -6.743 -6.884 14.878 627 1HG GLU 82 1HG GLU 82 -6.709 -5.205 12.971 628 2HG GLU 82 2HG GLU 82 -6.665 -6.600 11.895 629 H TRP 83 H TRP 83 -4.625 -4.420 12.924 630 HA TRP 83 HA TRP 83 -4.298 -5.092 10.267 631 1HB TRP 83 1HB TRP 83 -3.413 -2.694 11.854 632 2HB TRP 83 2HB TRP 83 -3.085 -2.816 10.128 633 HD1 TRP 83 HD TRP 83 -6.387 -4.247 11.261 634 HE1 TRP 83 1HE TRP 83 -8.296 -2.700 10.494 635 HE3 TRP 83 3HE TRP 83 -3.613 -0.249 9.692 636 HZ2 TRP 83 2HZ TRP 83 -8.588 -0.126 9.372 637 HZ3 TRP 83 3HZ TRP 83 -4.784 1.716 8.784 638 HH2 TRP 83 HH TRP 83 -7.220 1.774 8.628 639 H SER 84 H SER 84 -1.815 -4.650 12.752 640 HA SER 84 HA SER 84 0.396 -4.999 11.009 641 1HB SER 84 1HB SER 84 0.042 -5.101 13.993 642 2HB SER 84 2HB SER 84 1.580 -5.552 13.258 643 HG SER 84 HG SER 84 0.290 -3.059 13.309 644 H VAL 85 H VAL 85 -1.573 -7.196 12.911 645 HA VAL 85 HA VAL 85 0.054 -9.461 11.974 646 HB VAL 85 HB VAL 85 -1.022 -10.795 13.707 647 1HG1 VAL 85 1HG1 VAL 85 0.992 -9.237 14.130 648 2HG1 VAL 85 2HG1 VAL 85 -0.150 -8.276 15.072 649 3HG1 VAL 85 3HG1 VAL 85 0.169 -9.954 15.515 650 1HG2 VAL 85 1HG2 VAL 85 -2.959 -10.224 14.630 651 2HG2 VAL 85 2HG2 VAL 85 -2.266 -8.724 15.246 652 3HG2 VAL 85 3HG2 VAL 85 -2.974 -8.771 13.632 653 H ALA 86 H ALA 86 -1.689 -8.174 10.163 654 HA ALA 86 HA ALA 86 -3.669 -10.313 9.732 655 1HB ALA 86 1HB ALA 86 -4.925 -8.356 8.487 656 2HB ALA 86 2HB ALA 86 -5.120 -8.618 10.221 657 3HB ALA 86 3HB ALA 86 -4.027 -7.363 9.637 658 H THR 87 H THR 87 -4.382 -10.422 7.403 659 HA THR 87 HA THR 87 -2.006 -10.258 5.706 660 HB THR 87 HB THR 87 -3.244 -12.422 5.896 661 HG1 THR 87 1HG THR 87 -3.013 -11.137 3.369 662 1HG2 THR 87 1HG2 THR 87 -5.378 -12.720 4.910 663 2HG2 THR 87 2HG2 THR 87 -5.354 -11.109 4.194 664 3HG2 THR 87 3HG2 THR 87 -5.517 -11.296 5.940 665 H PHE 88 H PHE 88 -1.854 -8.975 3.955 666 HA PHE 88 HA PHE 88 -4.220 -7.368 3.245 667 1HB PHE 88 1HB PHE 88 -1.382 -6.614 3.693 668 2HB PHE 88 2HB PHE 88 -2.223 -5.798 2.379 669 HD1 PHE 88 1HD PHE 88 -3.339 -6.896 5.762 670 HD2 PHE 88 2HD PHE 88 -2.752 -3.667 3.052 671 HE1 PHE 88 1HE PHE 88 -4.365 -5.355 7.382 672 HE2 PHE 88 2HE PHE 88 -3.776 -2.120 4.668 673 HZ PHE 88 HZ PHE 88 -4.583 -2.963 6.837 674 H TYR 89 H TYR 89 -4.981 -8.419 1.484 675 HA TYR 89 HA TYR 89 -3.187 -9.401 -0.563 676 1HB TYR 89 1HB TYR 89 -6.204 -9.371 -0.368 677 2HB TYR 89 2HB TYR 89 -5.307 -10.096 -1.698 678 HD1 TYR 89 1HD TYR 89 -3.820 -12.060 -1.243 679 HD2 TYR 89 2HD TYR 89 -6.496 -10.520 1.684 680 HE1 TYR 89 1HE TYR 89 -3.642 -14.164 0.018 681 HE2 TYR 89 2HE TYR 89 -6.324 -12.619 2.954 682 HH TYR 89 HH TYR 89 -4.142 -15.213 1.931 683 H LEU 90 H LEU 90 -2.989 -8.619 -2.642 684 HA LEU 90 HA LEU 90 -4.200 -5.983 -3.155 685 1HB LEU 90 1HB LEU 90 -1.442 -6.929 -3.918 686 2HB LEU 90 2HB LEU 90 -2.155 -5.386 -4.383 687 HG LEU 90 HG LEU 90 -2.266 -5.583 -1.551 688 1HD1 LEU 90 1HD1 LEU 90 -0.530 -7.002 -1.214 689 2HD1 LEU 90 2HD1 LEU 90 0.392 -5.515 -1.437 690 3HD1 LEU 90 3HD1 LEU 90 0.210 -6.649 -2.775 691 1HD2 LEU 90 1HD2 LEU 90 -2.200 -3.483 -2.625 692 2HD2 LEU 90 2HD2 LEU 90 -0.737 -3.898 -3.517 693 3HD2 LEU 90 3HD2 LEU 90 -0.663 -3.637 -1.774 694 H PHE 91 H PHE 91 -5.271 -5.766 -5.019 695 HA PHE 91 HA PHE 91 -4.905 -7.845 -7.074 696 1HB PHE 91 1HB PHE 91 -7.356 -6.814 -5.781 697 2HB PHE 91 2HB PHE 91 -7.446 -7.018 -7.527 698 HD1 PHE 91 1HD PHE 91 -8.167 -8.565 -4.563 699 HD2 PHE 91 2HD PHE 91 -6.256 -9.362 -8.282 700 HE1 PHE 91 1HE PHE 91 -8.576 -10.972 -4.254 701 HE2 PHE 91 2HE PHE 91 -6.663 -11.769 -7.979 702 HZ PHE 91 HZ PHE 91 -7.825 -12.577 -5.964 703 H ASP 92 H ASP 92 -5.774 -7.108 -9.255 704 HA ASP 92 HA ASP 92 -4.789 -4.386 -9.745 705 1HB ASP 92 1HB ASP 92 -4.344 -6.862 -11.054 706 2HB ASP 92 2HB ASP 92 -5.248 -5.842 -12.169 707 H ASP 93 H ASP 93 -5.906 -3.906 -12.216 708 HA ASP 93 HA ASP 93 -8.575 -3.132 -11.458 709 1HB ASP 93 1HB ASP 93 -7.042 -1.650 -12.761 710 2HB ASP 93 2HB ASP 93 -7.185 -2.764 -14.118 711 H ALA 94 H ALA 94 -7.345 -5.941 -12.601 712 HA ALA 94 HA ALA 94 -9.790 -6.579 -14.119 713 1HB ALA 94 1HB ALA 94 -8.402 -7.218 -15.737 714 2HB ALA 94 2HB ALA 94 -6.995 -7.094 -14.680 715 3HB ALA 94 3HB ALA 94 -7.956 -8.573 -14.699 716 H GLY 95 H GLY 95 -7.712 -7.444 -11.473 717 1HA GLY 95 2HA GLY 95 -8.840 -8.588 -9.608 718 2HA GLY 95 1HA GLY 95 -9.569 -9.645 -10.808 719 H GLU 96 H GLU 96 -6.230 -8.650 -11.012 720 HA GLU 96 HA GLU 96 -5.413 -11.359 -10.190 721 1HB GLU 96 1HB GLU 96 -3.627 -11.236 -11.906 722 2HB GLU 96 2HB GLU 96 -5.244 -11.216 -12.596 723 1HG GLU 96 1HG GLU 96 -3.772 -8.668 -12.066 724 2HG GLU 96 2HG GLU 96 -3.473 -9.606 -13.528 725 H GLU 97 H GLU 97 -3.233 -11.541 -9.366 726 HA GLU 97 HA GLU 97 -2.564 -9.322 -7.659 727 1HB GLU 97 1HB GLU 97 -2.007 -12.156 -7.762 728 2HB GLU 97 2HB GLU 97 -0.530 -11.245 -7.480 729 1HG GLU 97 1HG GLU 97 -1.157 -10.598 -5.418 730 2HG GLU 97 2HG GLU 97 -2.856 -10.445 -5.863 731 H ASN 98 H ASN 98 -2.002 -7.766 -9.291 732 HA ASN 98 HA ASN 98 0.686 -8.203 -10.418 733 1HB ASN 98 1HB ASN 98 -1.772 -7.031 -11.597 734 2HB ASN 98 2HB ASN 98 -0.254 -6.227 -11.985 735 1HD2 ASN 98 1HD2 ASN 98 -2.250 -8.027 -13.448 736 2HD2 ASN 98 2HD2 ASN 98 -1.239 -9.184 -14.238 737 H PHE 99 H PHE 99 1.829 -6.062 -10.866 738 HA PHE 99 HA PHE 99 1.348 -4.216 -8.620 739 1HB PHE 99 1HB PHE 99 3.904 -3.797 -8.873 740 2HB PHE 99 2HB PHE 99 3.353 -5.239 -8.027 741 HD1 PHE 99 1HD PHE 99 3.879 -7.394 -8.817 742 HD2 PHE 99 2HD PHE 99 4.685 -3.985 -11.234 743 HE1 PHE 99 1HE PHE 99 5.194 -8.798 -10.351 744 HE2 PHE 99 2HE PHE 99 6.001 -5.383 -12.773 745 HZ PHE 99 HZ PHE 99 6.256 -7.793 -12.333 746 H SER 100 H SER 100 0.042 -3.689 -10.916 747 HA SER 100 HA SER 100 1.582 -1.992 -12.657 748 1HB SER 100 1HB SER 100 -1.371 -1.785 -12.689 749 2HB SER 100 2HB SER 100 -0.240 -2.009 -14.023 750 HG SER 100 HG SER 100 -0.945 -3.992 -13.955 751 H SER 101 H SER 101 0.004 0.167 -13.136 752 HA SER 101 HA SER 101 0.827 2.041 -11.286 753 1HB SER 101 1HB SER 101 -1.350 2.039 -13.353 754 2HB SER 101 2HB SER 101 -1.163 3.421 -12.274 755 HG SER 101 HG SER 101 0.360 4.034 -13.570 756 H ARG 102 H ARG 102 -2.496 0.782 -11.631 757 HA ARG 102 HA ARG 102 -3.127 1.767 -8.958 758 1HB ARG 102 1HB ARG 102 -4.785 2.278 -10.600 759 2HB ARG 102 2HB ARG 102 -4.819 0.617 -11.175 760 1HG ARG 102 1HG ARG 102 -6.147 -0.095 -9.474 761 2HG ARG 102 2HG ARG 102 -5.515 1.096 -8.335 762 1HD ARG 102 1HD ARG 102 -7.399 1.651 -10.624 763 2HD ARG 102 2HD ARG 102 -7.837 1.572 -8.918 764 HE ARG 102 HE ARG 102 -5.876 3.472 -9.046 765 1HH1 ARG 102 2HH1 ARG 102 -8.967 2.996 -10.575 766 2HH1 ARG 102 1HH1 ARG 102 -9.288 4.690 -10.749 767 1HH2 ARG 102 2HH2 ARG 102 -6.287 5.705 -9.270 768 2HH2 ARG 102 1HH2 ARG 102 -7.763 6.230 -10.007 769 H MET 103 H MET 103 -3.634 0.481 -7.236 770 HA MET 103 HA MET 103 -3.742 -2.411 -7.596 771 1HB MET 103 1HB MET 103 -1.334 -1.591 -7.133 772 2HB MET 103 2HB MET 103 -1.909 -1.278 -5.500 773 1HG MET 103 1HG MET 103 -2.094 -3.482 -4.988 774 2HG MET 103 2HG MET 103 -2.441 -3.954 -6.650 775 1HE MET 103 1HE MET 103 0.005 -1.937 -4.798 776 2HE MET 103 2HE MET 103 1.276 -3.105 -4.437 777 3HE MET 103 3HE MET 103 1.425 -2.045 -5.840 778 H TYR 104 H TYR 104 -5.619 -2.912 -6.678 779 HA TYR 104 HA TYR 104 -6.726 -1.358 -4.525 780 1HB TYR 104 1HB TYR 104 -7.680 -3.898 -5.860 781 2HB TYR 104 2HB TYR 104 -8.592 -3.012 -4.643 782 HD1 TYR 104 1HD TYR 104 -8.627 -3.637 -7.943 783 HD2 TYR 104 2HD TYR 104 -8.437 -0.271 -5.348 784 HE1 TYR 104 1HE TYR 104 -9.601 -2.229 -9.708 785 HE2 TYR 104 2HE TYR 104 -9.411 1.147 -7.106 786 HH TYR 104 HH TYR 104 -10.536 -0.221 -10.155 787 H CYS 105 H CYS 105 -6.891 -1.886 -2.399 788 HA CYS 105 HA CYS 105 -5.316 -4.200 -1.512 789 1HB CYS 105 1HB CYS 105 -5.302 -2.999 0.705 790 2HB CYS 105 2HB CYS 105 -4.469 -2.162 -0.599 791 HG CYS 105 HG CYS 105 -7.661 -1.404 0.366 792 H SER 106 H SER 106 -6.614 -5.919 -1.292 793 HA SER 106 HA SER 106 -9.200 -5.551 0.063 794 1HB SER 106 1HB SER 106 -9.499 -7.996 -0.904 795 2HB SER 106 2HB SER 106 -9.762 -6.582 -1.925 796 HG SER 106 HG SER 106 -7.744 -8.476 -1.996 797 H PHE 107 H PHE 107 -9.747 -6.796 1.825 798 HA PHE 107 HA PHE 107 -7.524 -7.872 3.325 799 1HB PHE 107 1HB PHE 107 -9.646 -6.493 4.141 800 2HB PHE 107 2HB PHE 107 -10.331 -8.107 4.302 801 HD1 PHE 107 1HD PHE 107 -9.301 -9.737 5.842 802 HD2 PHE 107 2HD PHE 107 -8.009 -5.686 5.654 803 HE1 PHE 107 1HE PHE 107 -8.183 -9.996 8.019 804 HE2 PHE 107 2HE PHE 107 -6.888 -5.939 7.829 805 HZ PHE 107 HZ PHE 107 -6.973 -8.096 9.015 806 H TYR 108 H TYR 108 -10.406 -9.076 1.710 807 HA TYR 108 HA TYR 108 -10.190 -11.744 2.682 808 1HB TYR 108 1HB TYR 108 -11.896 -12.287 1.056 809 2HB TYR 108 2HB TYR 108 -12.300 -10.751 1.814 810 HD1 TYR 108 1HD TYR 108 -11.841 -8.617 0.550 811 HD2 TYR 108 2HD TYR 108 -11.607 -12.451 -1.280 812 HE1 TYR 108 1HE TYR 108 -12.012 -7.563 -1.666 813 HE2 TYR 108 2HE TYR 108 -11.776 -11.408 -3.501 814 HH TYR 108 HH TYR 108 -12.431 -7.982 -3.877 815 HA PRO 109 HA PRO 109 -7.134 -13.479 0.053 816 1HB PRO 109 1HB PRO 109 -8.090 -15.998 -0.278 817 2HB PRO 109 2HB PRO 109 -7.389 -15.428 1.242 818 1HG PRO 109 1HG PRO 109 -10.268 -15.681 0.461 819 2HG PRO 109 2HG PRO 109 -9.482 -16.111 1.991 820 1HD PRO 109 1HD PRO 109 -10.885 -13.818 1.667 821 2HD PRO 109 2HD PRO 109 -9.481 -13.933 2.747 822 HA PRO 110 HA PRO 110 -8.277 -13.361 -4.191 823 1HB PRO 110 1HB PRO 110 -6.681 -15.260 -5.295 824 2HB PRO 110 2HB PRO 110 -6.066 -13.711 -4.707 825 1HG PRO 110 1HG PRO 110 -6.041 -16.389 -3.370 826 2HG PRO 110 2HG PRO 110 -4.757 -15.168 -3.454 827 1HD PRO 110 1HD PRO 110 -6.330 -15.480 -1.273 828 2HD PRO 110 2HD PRO 110 -5.676 -13.904 -1.760 829 H ASP 111 H ASP 111 -7.937 -16.741 -3.097 830 HA ASP 111 HA ASP 111 -10.587 -17.469 -3.584 831 1HB ASP 111 1HB ASP 111 -8.995 -17.327 -5.966 832 2HB ASP 111 2HB ASP 111 -9.420 -19.009 -5.657 833 H GLU 112 H GLU 112 -7.219 -18.443 -3.487 834 HA GLU 112 HA GLU 112 -7.444 -21.161 -3.059 835 1HB GLU 112 1HB GLU 112 -5.380 -19.411 -3.076 836 2HB GLU 112 2HB GLU 112 -5.473 -19.763 -1.356 837 1HG GLU 112 1HG GLU 112 -5.285 -21.878 -3.484 838 2HG GLU 112 2HG GLU 112 -3.891 -21.195 -2.648 Start of MODEL 6 1 1H ALA 1 1H ALA 1 13.964 13.371 -10.011 2 HA ALA 1 HA ALA 1 12.709 11.504 -9.663 3 1HB ALA 1 1HB ALA 1 13.963 11.120 -12.178 4 2HB ALA 1 2HB ALA 1 13.951 9.572 -11.331 5 3HB ALA 1 3HB ALA 1 12.442 10.446 -11.592 6 HA PRO 2 HA PRO 2 14.764 8.994 -6.708 7 1HB PRO 2 1HB PRO 2 13.312 6.702 -6.779 8 2HB PRO 2 2HB PRO 2 12.699 8.206 -6.083 9 1HG PRO 2 1HG PRO 2 12.187 7.022 -8.785 10 2HG PRO 2 2HG PRO 2 11.045 7.787 -7.664 11 1HD PRO 2 1HD PRO 2 12.079 9.086 -9.803 12 2HD PRO 2 2HD PRO 2 11.663 9.918 -8.290 13 H ILE 3 H ILE 3 16.621 8.945 -8.350 14 HA ILE 3 HA ILE 3 16.967 6.453 -9.775 15 HB ILE 3 HB ILE 3 19.011 8.628 -9.332 16 1HG1 ILE 3 1HG1 ILE 3 17.023 8.290 -11.588 17 2HG1 ILE 3 2HG1 ILE 3 16.998 9.562 -10.372 18 1HG2 ILE 3 1HG2 ILE 3 20.022 7.709 -11.380 19 2HG2 ILE 3 2HG2 ILE 3 19.965 6.530 -10.071 20 3HG2 ILE 3 3HG2 ILE 3 18.801 6.437 -11.392 21 1HD1 ILE 3 1HD1 ILE 3 19.151 10.381 -11.215 22 2HD1 ILE 3 2HD1 ILE 3 19.117 9.134 -12.463 23 3HD1 ILE 3 3HD1 ILE 3 17.890 10.400 -12.448 24 H LYS 4 H LYS 4 18.510 4.873 -9.334 25 HA LYS 4 HA LYS 4 19.045 4.448 -6.548 26 1HB LYS 4 1HB LYS 4 20.062 2.337 -7.291 27 2HB LYS 4 2HB LYS 4 18.467 2.572 -7.993 28 1HG LYS 4 1HG LYS 4 19.264 2.732 -10.099 29 2HG LYS 4 2HG LYS 4 20.753 3.533 -9.592 30 1HD LYS 4 1HD LYS 4 21.177 1.128 -8.506 31 2HD LYS 4 2HD LYS 4 20.133 0.647 -9.845 32 1HE LYS 4 1HE LYS 4 21.636 1.845 -11.397 33 2HE LYS 4 2HE LYS 4 22.698 2.224 -10.042 34 1HZ LYS 4 1HZ LYS 4 22.339 -0.482 -9.900 35 2HZ LYS 4 2HZ LYS 4 23.708 0.314 -10.492 36 3HZ LYS 4 3HZ LYS 4 22.492 -0.184 -11.558 37 H GLY 5 H GLY 5 21.008 4.438 -5.487 38 1HA GLY 5 2HA GLY 5 23.182 5.023 -5.036 39 2HA GLY 5 1HA GLY 5 23.521 4.735 -6.737 40 H VAL 6 H VAL 6 23.464 6.454 -8.198 41 HA VAL 6 HA VAL 6 22.682 9.088 -7.454 42 HB VAL 6 HB VAL 6 24.862 8.776 -6.185 43 1HG1 VAL 6 1HG1 VAL 6 26.904 8.689 -7.298 44 2HG1 VAL 6 2HG1 VAL 6 25.896 7.569 -8.216 45 3HG1 VAL 6 3HG1 VAL 6 26.199 9.193 -8.834 46 1HG2 VAL 6 1HG2 VAL 6 23.777 10.966 -7.475 47 2HG2 VAL 6 2HG2 VAL 6 25.021 11.001 -6.227 48 3HG2 VAL 6 3HG2 VAL 6 25.480 11.012 -7.929 49 H THR 7 H THR 7 22.488 7.091 -9.639 50 HA THR 7 HA THR 7 23.950 8.066 -11.882 51 HB THR 7 HB THR 7 21.402 6.705 -12.451 52 HG1 THR 7 1HG THR 7 21.697 5.042 -11.175 53 1HG2 THR 7 1HG2 THR 7 24.297 6.316 -13.186 54 2HG2 THR 7 2HG2 THR 7 22.981 6.891 -14.209 55 3HG2 THR 7 3HG2 THR 7 23.026 5.205 -13.694 56 H PHE 8 H PHE 8 22.711 8.794 -13.901 57 HA PHE 8 HA PHE 8 20.288 10.210 -13.673 58 1HB PHE 8 1HB PHE 8 21.015 12.491 -13.619 59 2HB PHE 8 2HB PHE 8 21.769 11.671 -12.256 60 HD1 PHE 8 1HD PHE 8 24.152 11.270 -12.206 61 HD2 PHE 8 2HD PHE 8 22.325 13.252 -15.500 62 HE1 PHE 8 1HE PHE 8 26.364 12.030 -12.971 63 HE2 PHE 8 2HE PHE 8 24.534 14.015 -16.271 64 HZ PHE 8 HZ PHE 8 26.557 13.403 -15.007 65 H GLY 9 H GLY 9 19.498 10.605 -15.664 66 1HA GLY 9 2HA GLY 9 19.371 10.535 -17.957 67 2HA GLY 9 1HA GLY 9 20.851 11.482 -17.907 68 H GLU 10 H GLU 10 19.778 8.106 -17.506 69 HA GLU 10 HA GLU 10 22.275 7.250 -18.800 70 1HB GLU 10 1HB GLU 10 20.498 6.048 -16.750 71 2HB GLU 10 2HB GLU 10 21.246 4.941 -17.893 72 1HG GLU 10 1HG GLU 10 22.806 6.952 -16.299 73 2HG GLU 10 2HG GLU 10 22.487 5.311 -15.742 74 H ASP 11 H ASP 11 18.863 6.212 -18.652 75 HA ASP 11 HA ASP 11 18.773 6.043 -21.548 76 1HB ASP 11 1HB ASP 11 19.476 3.768 -20.168 77 2HB ASP 11 2HB ASP 11 17.733 3.584 -20.338 78 H THR 12 H THR 12 16.910 4.790 -18.774 79 HA THR 12 HA THR 12 14.822 6.692 -19.054 80 HB THR 12 HB THR 12 14.367 5.296 -21.069 81 HG1 THR 12 1HG THR 12 12.605 6.320 -20.156 82 1HG2 THR 12 1HG2 THR 12 13.719 3.040 -20.921 83 2HG2 THR 12 2HG2 THR 12 13.553 3.114 -19.167 84 3HG2 THR 12 3HG2 THR 12 15.154 3.157 -19.903 85 H VAL 13 H VAL 13 12.807 5.903 -17.776 86 HA VAL 13 HA VAL 13 13.794 4.895 -15.241 87 HB VAL 13 HB VAL 13 10.921 5.581 -15.691 88 1HG1 VAL 13 1HG1 VAL 13 11.468 4.821 -13.509 89 2HG1 VAL 13 2HG1 VAL 13 12.877 5.881 -13.422 90 3HG1 VAL 13 3HG1 VAL 13 11.252 6.568 -13.401 91 1HG2 VAL 13 1HG2 VAL 13 11.701 7.470 -16.731 92 2HG2 VAL 13 2HG2 VAL 13 11.749 7.992 -15.047 93 3HG2 VAL 13 3HG2 VAL 13 13.227 7.461 -15.848 94 H TRP 14 H TRP 14 12.523 3.287 -14.018 95 HA TRP 14 HA TRP 14 11.667 1.195 -13.763 96 1HB TRP 14 1HB TRP 14 10.218 1.995 -16.290 97 2HB TRP 14 2HB TRP 14 9.909 0.483 -15.440 98 HD1 TRP 14 HD TRP 14 9.904 4.277 -14.582 99 HE1 TRP 14 1HE TRP 14 7.965 4.709 -12.946 100 HE3 TRP 14 3HE TRP 14 8.214 -0.518 -14.042 101 HZ2 TRP 14 2HZ TRP 14 5.981 3.215 -11.604 102 HZ3 TRP 14 3HZ TRP 14 6.291 -0.931 -12.563 103 HH2 TRP 14 HH TRP 14 5.200 0.898 -11.370 104 H GLU 15 H GLU 15 14.063 1.820 -15.585 105 HA GLU 15 HA GLU 15 14.307 -0.912 -16.625 106 1HB GLU 15 1HB GLU 15 14.509 1.621 -18.148 107 2HB GLU 15 2HB GLU 15 15.741 0.412 -18.484 108 1HG GLU 15 1HG GLU 15 12.837 -0.305 -18.501 109 2HG GLU 15 2HG GLU 15 13.604 0.433 -19.906 110 H VAL 16 H VAL 16 15.905 2.082 -15.658 111 HA VAL 16 HA VAL 16 18.267 0.487 -14.906 112 HB VAL 16 HB VAL 16 18.733 1.965 -16.846 113 1HG1 VAL 16 1HG1 VAL 16 18.727 4.399 -15.196 114 2HG1 VAL 16 2HG1 VAL 16 18.295 4.172 -16.892 115 3HG1 VAL 16 3HG1 VAL 16 17.134 3.775 -15.624 116 1HG2 VAL 16 1HG2 VAL 16 20.460 3.352 -15.088 117 2HG2 VAL 16 2HG2 VAL 16 20.184 1.751 -14.401 118 3HG2 VAL 16 3HG2 VAL 16 20.804 1.911 -16.044 119 H GLN 17 H GLN 17 16.088 3.111 -14.125 120 HA GLN 17 HA GLN 17 17.301 4.240 -11.925 121 1HB GLN 17 1HB GLN 17 15.356 5.323 -12.511 122 2HB GLN 17 2HB GLN 17 14.462 3.825 -12.734 123 1HG GLN 17 1HG GLN 17 14.153 3.553 -10.407 124 2HG GLN 17 2HG GLN 17 15.318 4.822 -10.035 125 1HE2 GLN 17 1HE2 GLN 17 12.083 4.090 -10.974 126 2HE2 GLN 17 2HE2 GLN 17 11.455 5.695 -10.853 127 H GLY 18 H GLY 18 15.482 1.225 -12.131 128 1HA GLY 18 2HA GLY 18 15.567 -0.616 -10.736 129 2HA GLY 18 1HA GLY 18 16.760 0.229 -9.760 130 H TYR 19 H TYR 19 13.567 1.472 -10.547 131 HA TYR 19 HA TYR 19 12.495 0.751 -7.957 132 1HB TYR 19 1HB TYR 19 13.145 3.605 -8.685 133 2HB TYR 19 2HB TYR 19 11.962 3.188 -7.451 134 HD1 TYR 19 1HD TYR 19 12.835 1.544 -5.587 135 HD2 TYR 19 2HD TYR 19 15.345 3.937 -8.052 136 HE1 TYR 19 1HE TYR 19 14.633 1.366 -3.918 137 HE2 TYR 19 2HE TYR 19 17.151 3.764 -6.390 138 HH TYR 19 HH TYR 19 17.056 3.272 -3.616 139 H LYS 20 H LYS 20 10.229 1.496 -7.707 140 HA LYS 20 HA LYS 20 8.909 2.044 -10.274 141 1HB LYS 20 1HB LYS 20 8.264 -0.160 -8.321 142 2HB LYS 20 2HB LYS 20 7.092 0.423 -9.496 143 1HG LYS 20 1HG LYS 20 8.013 -1.404 -10.560 144 2HG LYS 20 2HG LYS 20 8.943 -0.063 -11.233 145 1HD LYS 20 1HD LYS 20 10.846 -0.892 -10.424 146 2HD LYS 20 2HD LYS 20 10.157 -1.039 -8.805 147 1HE LYS 20 1HE LYS 20 10.491 -3.242 -9.177 148 2HE LYS 20 2HE LYS 20 8.941 -3.110 -10.008 149 1HZ LYS 20 1HZ LYS 20 9.893 -3.389 -12.009 150 2HZ LYS 20 2HZ LYS 20 11.134 -4.122 -11.124 151 3HZ LYS 20 3HZ LYS 20 11.283 -2.509 -11.612 152 H ASN 21 H ASN 21 6.350 2.202 -9.615 153 HA ASN 21 HA ASN 21 6.069 3.792 -7.185 154 1HB ASN 21 1HB ASN 21 5.246 4.867 -9.891 155 2HB ASN 21 2HB ASN 21 5.074 5.681 -8.339 156 1HD2 ASN 21 1HD2 ASN 21 7.306 4.639 -10.799 157 2HD2 ASN 21 2HD2 ASN 21 8.626 5.637 -10.304 158 H VAL 22 H VAL 22 4.503 2.686 -6.196 159 HA VAL 22 HA VAL 22 2.124 1.935 -7.767 160 HB VAL 22 HB VAL 22 3.407 0.017 -6.814 161 1HG1 VAL 22 1HG1 VAL 22 3.474 1.633 -4.528 162 2HG1 VAL 22 2HG1 VAL 22 2.443 0.260 -4.117 163 3HG1 VAL 22 3HG1 VAL 22 4.086 -0.012 -4.699 164 1HG2 VAL 22 1HG2 VAL 22 0.861 -0.064 -5.332 165 2HG2 VAL 22 2HG2 VAL 22 0.740 0.340 -7.044 166 3HG2 VAL 22 3HG2 VAL 22 1.505 -1.169 -6.546 167 H ARG 23 H ARG 23 0.067 2.163 -6.774 168 HA ARG 23 HA ARG 23 -0.011 3.874 -4.387 169 1HB ARG 23 1HB ARG 23 -0.810 4.586 -7.088 170 2HB ARG 23 2HB ARG 23 -2.149 4.730 -5.957 171 1HG ARG 23 1HG ARG 23 -1.193 6.831 -5.899 172 2HG ARG 23 2HG ARG 23 -0.476 6.040 -4.494 173 1HD ARG 23 1HD ARG 23 1.594 6.024 -5.395 174 2HD ARG 23 2HD ARG 23 0.994 5.716 -7.024 175 HE ARG 23 HE ARG 23 0.388 8.360 -6.143 176 1HH1 ARG 23 2HH1 ARG 23 2.915 6.350 -7.445 177 2HH1 ARG 23 1HH1 ARG 23 3.763 7.668 -8.183 178 1HH2 ARG 23 2HH2 ARG 23 1.495 10.104 -7.111 179 2HH2 ARG 23 1HH2 ARG 23 2.954 9.803 -7.992 180 H ILE 24 H ILE 24 -2.056 3.846 -3.259 181 HA ILE 24 HA ILE 24 -3.694 1.474 -3.869 182 HB ILE 24 HB ILE 24 -2.905 2.437 -1.117 183 1HG1 ILE 24 1HG1 ILE 24 -1.064 1.321 -2.317 184 2HG1 ILE 24 2HG1 ILE 24 -1.636 0.352 -0.963 185 1HG2 ILE 24 1HG2 ILE 24 -4.010 0.312 -0.391 186 2HG2 ILE 24 2HG2 ILE 24 -5.109 1.533 -1.031 187 3HG2 ILE 24 3HG2 ILE 24 -4.645 0.155 -2.028 188 1HD1 ILE 24 1HD1 ILE 24 -2.184 -0.081 -3.884 189 2HD1 ILE 24 2HD1 ILE 24 -1.252 -1.106 -2.793 190 3HD1 ILE 24 3HD1 ILE 24 -2.997 -0.961 -2.591 191 H THR 25 H THR 25 -5.822 1.811 -3.977 192 HA THR 25 HA THR 25 -7.139 3.865 -2.458 193 HB THR 25 HB THR 25 -7.172 4.140 -5.467 194 HG1 THR 25 1HG THR 25 -5.833 5.894 -5.176 195 1HG2 THR 25 1HG2 THR 25 -9.175 5.051 -4.827 196 2HG2 THR 25 2HG2 THR 25 -8.130 6.454 -4.601 197 3HG2 THR 25 3HG2 THR 25 -8.595 5.468 -3.215 198 H PHE 26 H PHE 26 -7.969 1.638 -1.894 199 HA PHE 26 HA PHE 26 -10.178 0.912 -3.704 200 1HB PHE 26 1HB PHE 26 -8.545 -0.885 -3.631 201 2HB PHE 26 2HB PHE 26 -8.573 -0.879 -1.871 202 HD1 PHE 26 1HD PHE 26 -10.277 -2.002 -0.659 203 HD2 PHE 26 2HD PHE 26 -10.497 -1.699 -4.899 204 HE1 PHE 26 1HE PHE 26 -12.084 -3.672 -0.681 205 HE2 PHE 26 2HE PHE 26 -12.305 -3.367 -4.928 206 HZ PHE 26 HZ PHE 26 -13.101 -4.356 -2.817 207 H GLU 27 H GLU 27 -9.400 0.022 -0.354 208 HA GLU 27 HA GLU 27 -11.238 1.676 0.932 209 1HB GLU 27 1HB GLU 27 -12.533 -0.339 -0.526 210 2HB GLU 27 2HB GLU 27 -12.579 -0.876 1.148 211 1HG GLU 27 1HG GLU 27 -14.038 0.711 1.754 212 2HG GLU 27 2HG GLU 27 -13.279 1.942 0.746 213 H LEU 28 H LEU 28 -10.982 1.539 3.103 214 HA LEU 28 HA LEU 28 -9.922 -0.900 4.290 215 1HB LEU 28 1HB LEU 28 -8.257 1.260 3.596 216 2HB LEU 28 2HB LEU 28 -8.451 1.324 5.346 217 HG LEU 28 HG LEU 28 -7.586 -0.930 5.557 218 1HD1 LEU 28 1HD1 LEU 28 -7.607 -0.863 2.557 219 2HD1 LEU 28 2HD1 LEU 28 -8.333 -2.050 3.640 220 3HD1 LEU 28 3HD1 LEU 28 -6.580 -1.974 3.463 221 1HD2 LEU 28 1HD2 LEU 28 -5.539 0.128 3.751 222 2HD2 LEU 28 2HD2 LEU 28 -5.453 -0.247 5.472 223 3HD2 LEU 28 3HD2 LEU 28 -6.132 1.291 4.937 224 H ASP 29 H ASP 29 -10.610 2.529 4.990 225 HA ASP 29 HA ASP 29 -12.282 1.646 7.239 226 1HB ASP 29 1HB ASP 29 -9.810 2.785 7.617 227 2HB ASP 29 2HB ASP 29 -10.881 4.181 7.707 228 H GLU 30 H GLU 30 -13.765 3.384 8.004 229 HA GLU 30 HA GLU 30 -14.684 4.980 5.708 230 1HB GLU 30 1HB GLU 30 -16.908 4.931 6.797 231 2HB GLU 30 2HB GLU 30 -16.311 3.328 6.392 232 1HG GLU 30 1HG GLU 30 -16.210 2.678 8.535 233 2HG GLU 30 2HG GLU 30 -15.649 4.252 9.097 234 H ARG 31 H ARG 31 -13.569 5.114 8.963 235 HA ARG 31 HA ARG 31 -14.349 7.937 9.191 236 1HB ARG 31 1HB ARG 31 -14.150 5.762 11.074 237 2HB ARG 31 2HB ARG 31 -13.124 7.097 11.581 238 1HG ARG 31 1HG ARG 31 -15.156 7.534 12.613 239 2HG ARG 31 2HG ARG 31 -15.182 8.573 11.187 240 1HD ARG 31 1HD ARG 31 -16.616 7.067 10.022 241 2HD ARG 31 2HD ARG 31 -16.422 5.831 11.264 242 HE ARG 31 HE ARG 31 -18.047 6.868 12.492 243 1HH1 ARG 31 2HH1 ARG 31 -16.884 9.072 10.062 244 2HH1 ARG 31 1HH1 ARG 31 -18.089 10.273 10.388 245 1HH2 ARG 31 2HH2 ARG 31 -19.639 8.442 12.931 246 2HH2 ARG 31 1HH2 ARG 31 -19.655 9.914 12.021 247 H VAL 32 H VAL 32 -11.649 5.816 8.811 248 HA VAL 32 HA VAL 32 -9.860 8.147 8.779 249 HB VAL 32 HB VAL 32 -8.053 6.692 9.744 250 1HG1 VAL 32 1HG1 VAL 32 -10.303 6.995 11.702 251 2HG1 VAL 32 2HG1 VAL 32 -8.574 7.247 11.949 252 3HG1 VAL 32 3HG1 VAL 32 -9.507 8.401 10.996 253 1HG2 VAL 32 1HG2 VAL 32 -8.640 4.701 10.950 254 2HG2 VAL 32 2HG2 VAL 32 -10.351 4.931 10.589 255 3HG2 VAL 32 3HG2 VAL 32 -9.220 4.540 9.293 256 H ASP 33 H ASP 33 -10.831 7.402 6.466 257 HA ASP 33 HA ASP 33 -9.152 5.368 5.240 258 1HB ASP 33 1HB ASP 33 -11.730 6.106 4.778 259 2HB ASP 33 2HB ASP 33 -10.896 7.007 3.515 260 H LYS 34 H LYS 34 -9.791 8.845 4.875 261 HA LYS 34 HA LYS 34 -7.933 9.353 2.849 262 1HB LYS 34 1HB LYS 34 -8.271 11.620 3.278 263 2HB LYS 34 2HB LYS 34 -9.764 10.882 3.842 264 1HG LYS 34 1HG LYS 34 -7.447 11.627 5.614 265 2HG LYS 34 2HG LYS 34 -8.887 12.616 5.362 266 1HD LYS 34 1HD LYS 34 -10.089 10.345 6.048 267 2HD LYS 34 2HD LYS 34 -8.554 10.085 6.880 268 1HE LYS 34 1HE LYS 34 -10.137 12.624 7.172 269 2HE LYS 34 2HE LYS 34 -10.411 11.220 8.201 270 1HZ LYS 34 1HZ LYS 34 -8.406 11.465 9.232 271 2HZ LYS 34 2HZ LYS 34 -8.750 13.088 8.902 272 3HZ LYS 34 3HZ LYS 34 -7.675 12.234 7.914 273 H VAL 35 H VAL 35 -7.472 8.658 6.178 274 HA VAL 35 HA VAL 35 -5.029 9.955 6.660 275 HB VAL 35 HB VAL 35 -6.068 7.369 7.827 276 1HG1 VAL 35 1HG1 VAL 35 -3.916 7.222 8.518 277 2HG1 VAL 35 2HG1 VAL 35 -3.620 8.952 8.326 278 3HG1 VAL 35 3HG1 VAL 35 -4.484 8.355 9.744 279 1HG2 VAL 35 1HG2 VAL 35 -7.466 8.611 9.023 280 2HG2 VAL 35 2HG2 VAL 35 -6.126 9.591 9.619 281 3HG2 VAL 35 3HG2 VAL 35 -6.946 10.036 8.123 282 H LEU 36 H LEU 36 -5.802 7.190 4.765 283 HA LEU 36 HA LEU 36 -2.937 6.562 4.487 284 1HB LEU 36 1HB LEU 36 -3.496 4.318 3.979 285 2HB LEU 36 2HB LEU 36 -4.388 4.760 5.433 286 HG LEU 36 HG LEU 36 -6.082 5.272 3.226 287 1HD1 LEU 36 1HD1 LEU 36 -6.224 3.111 2.159 288 2HD1 LEU 36 2HD1 LEU 36 -4.887 2.506 3.137 289 3HD1 LEU 36 3HD1 LEU 36 -4.604 3.774 1.944 290 1HD2 LEU 36 1HD2 LEU 36 -6.008 3.282 5.470 291 2HD2 LEU 36 2HD2 LEU 36 -7.318 3.296 4.289 292 3HD2 LEU 36 3HD2 LEU 36 -7.020 4.716 5.293 293 H ASN 37 H ASN 37 -5.202 8.288 3.033 294 HA ASN 37 HA ASN 37 -4.392 7.485 0.316 295 1HB ASN 37 1HB ASN 37 -6.527 7.646 -0.344 296 2HB ASN 37 2HB ASN 37 -6.968 7.810 1.353 297 1HD2 ASN 37 1HD2 ASN 37 -7.293 9.163 -1.602 298 2HD2 ASN 37 2HD2 ASN 37 -7.644 10.792 -1.146 299 H GLU 38 H GLU 38 -4.404 9.980 2.675 300 HA GLU 38 HA GLU 38 -3.298 11.864 0.696 301 1HB GLU 38 1HB GLU 38 -4.275 13.670 1.797 302 2HB GLU 38 2HB GLU 38 -5.526 12.437 1.874 303 1HG GLU 38 1HG GLU 38 -4.371 11.890 4.175 304 2HG GLU 38 2HG GLU 38 -3.832 13.563 4.037 305 H LYS 39 H LYS 39 -2.909 10.289 3.760 306 HA LYS 39 HA LYS 39 -0.554 11.865 4.439 307 1HB LYS 39 1HB LYS 39 -2.460 10.750 6.006 308 2HB LYS 39 2HB LYS 39 -1.243 9.482 6.050 309 1HG LYS 39 1HG LYS 39 -0.127 10.612 7.585 310 2HG LYS 39 2HG LYS 39 0.085 11.948 6.451 311 1HD LYS 39 1HD LYS 39 -0.974 12.711 8.512 312 2HD LYS 39 2HD LYS 39 -2.073 12.875 7.141 313 1HE LYS 39 1HE LYS 39 -3.444 11.178 7.865 314 2HE LYS 39 2HE LYS 39 -2.155 10.375 8.760 315 1HZ LYS 39 1HZ LYS 39 -3.617 12.834 9.544 316 2HZ LYS 39 2HZ LYS 39 -2.243 12.265 10.349 317 3HZ LYS 39 3HZ LYS 39 -3.652 11.330 10.318 318 H CYS 40 H CYS 40 -1.373 8.925 2.885 319 HA CYS 40 HA CYS 40 1.219 8.405 1.996 320 1HB CYS 40 1HB CYS 40 1.581 6.231 3.292 321 2HB CYS 40 2HB CYS 40 1.890 7.731 4.157 322 HG CYS 40 HG CYS 40 -0.207 5.293 4.884 323 H SER 41 H SER 41 -0.041 8.186 0.109 324 HA SER 41 HA SER 41 -1.580 5.678 -0.054 325 1HB SER 41 1HB SER 41 -2.613 8.101 -0.521 326 2HB SER 41 2HB SER 41 -1.942 7.790 -2.122 327 HG SER 41 HG SER 41 -4.086 7.025 -1.940 328 H VAL 42 H VAL 42 1.164 7.360 -1.133 329 HA VAL 42 HA VAL 42 1.465 5.601 -3.470 330 HB VAL 42 HB VAL 42 1.754 7.856 -4.131 331 1HG1 VAL 42 1HG1 VAL 42 2.107 9.270 -2.415 332 2HG1 VAL 42 2HG1 VAL 42 3.088 8.107 -1.522 333 3HG1 VAL 42 3HG1 VAL 42 3.805 9.046 -2.832 334 1HG2 VAL 42 1HG2 VAL 42 4.587 6.961 -3.713 335 2HG2 VAL 42 2HG2 VAL 42 3.507 6.121 -4.826 336 3HG2 VAL 42 3HG2 VAL 42 3.891 7.822 -5.086 337 H TYR 43 H TYR 43 3.212 4.254 -3.687 338 HA TYR 43 HA TYR 43 5.196 4.198 -1.532 339 1HB TYR 43 1HB TYR 43 3.911 1.653 -2.502 340 2HB TYR 43 2HB TYR 43 4.914 1.897 -1.077 341 HD1 TYR 43 1HD TYR 43 3.958 2.525 0.997 342 HD2 TYR 43 2HD TYR 43 1.578 2.574 -2.530 343 HE1 TYR 43 1HE TYR 43 1.940 2.836 2.369 344 HE2 TYR 43 2HE TYR 43 -0.446 2.885 -1.168 345 HH TYR 43 HH TYR 43 -1.269 3.145 0.874 346 H THR 44 H THR 44 7.217 3.585 -2.154 347 HA THR 44 HA THR 44 7.564 2.916 -5.004 348 HB THR 44 HB THR 44 9.440 4.463 -3.204 349 HG1 THR 44 1HG THR 44 7.616 5.181 -5.239 350 1HG2 THR 44 1HG2 THR 44 10.295 4.803 -5.791 351 2HG2 THR 44 2HG2 THR 44 9.831 3.102 -5.762 352 3HG2 THR 44 3HG2 THR 44 11.019 3.712 -4.611 353 H VAL 45 H VAL 45 8.605 1.088 -5.495 354 HA VAL 45 HA VAL 45 10.045 -0.308 -3.333 355 HB VAL 45 HB VAL 45 9.294 -2.394 -4.102 356 1HG1 VAL 45 1HG1 VAL 45 6.728 -1.153 -4.724 357 2HG1 VAL 45 2HG1 VAL 45 7.179 -2.222 -3.394 358 3HG1 VAL 45 3HG1 VAL 45 7.497 -0.490 -3.281 359 1HG2 VAL 45 1HG2 VAL 45 7.683 -2.166 -6.281 360 2HG2 VAL 45 2HG2 VAL 45 8.925 -0.966 -6.639 361 3HG2 VAL 45 3HG2 VAL 45 9.381 -2.642 -6.334 362 H GLU 46 H GLU 46 11.724 -1.835 -4.103 363 HA GLU 46 HA GLU 46 13.517 -0.522 -5.870 364 1HB GLU 46 1HB GLU 46 13.801 -2.357 -3.876 365 2HB GLU 46 2HB GLU 46 14.028 -3.367 -5.298 366 1HG GLU 46 1HG GLU 46 15.636 -1.366 -5.979 367 2HG GLU 46 2HG GLU 46 15.714 -1.184 -4.227 368 H SER 47 H SER 47 14.709 -2.441 -7.383 369 HA SER 47 HA SER 47 12.845 -2.684 -9.567 370 1HB SER 47 1HB SER 47 15.548 -2.295 -9.442 371 2HB SER 47 2HB SER 47 15.461 -4.010 -9.842 372 HG SER 47 HG SER 47 14.140 -3.450 -11.619 373 H GLY 48 H GLY 48 14.110 -4.724 -7.080 374 1HA GLY 48 2HA GLY 48 12.885 -7.070 -8.394 375 2HA GLY 48 1HA GLY 48 14.240 -7.167 -7.279 376 H THR 49 H THR 49 10.793 -6.617 -7.572 377 HA THR 49 HA THR 49 10.498 -7.384 -4.754 378 HB THR 49 HB THR 49 8.604 -5.344 -5.818 379 HG1 THR 49 1HG THR 49 10.835 -4.614 -6.234 380 1HG2 THR 49 1HG2 THR 49 7.994 -5.990 -3.691 381 2HG2 THR 49 2HG2 THR 49 9.023 -4.604 -3.332 382 3HG2 THR 49 3HG2 THR 49 9.661 -6.240 -3.173 383 H GLU 50 H GLU 50 8.655 -8.564 -4.269 384 HA GLU 50 HA GLU 50 7.239 -9.630 -6.606 385 1HB GLU 50 1HB GLU 50 7.148 -10.783 -3.828 386 2HB GLU 50 2HB GLU 50 6.809 -11.584 -5.355 387 1HG GLU 50 1HG GLU 50 8.876 -12.366 -5.308 388 2HG GLU 50 2HG GLU 50 9.438 -10.719 -5.585 389 H VAL 51 H VAL 51 4.920 -10.302 -6.160 390 HA VAL 51 HA VAL 51 3.428 -7.992 -5.448 391 HB VAL 51 HB VAL 51 2.257 -10.748 -5.749 392 1HG1 VAL 51 1HG1 VAL 51 0.352 -9.506 -6.665 393 2HG1 VAL 51 2HG1 VAL 51 0.741 -8.985 -5.025 394 3HG1 VAL 51 3HG1 VAL 51 1.217 -7.992 -6.402 395 1HG2 VAL 51 1HG2 VAL 51 2.072 -10.178 -8.195 396 2HG2 VAL 51 2HG2 VAL 51 3.230 -8.881 -7.903 397 3HG2 VAL 51 3HG2 VAL 51 3.698 -10.559 -7.629 398 H THR 52 H THR 52 4.707 -10.539 -3.620 399 HA THR 52 HA THR 52 2.704 -10.349 -1.511 400 HB THR 52 HB THR 52 3.494 -12.574 -1.931 401 HG1 THR 52 1HG THR 52 4.446 -13.019 0.183 402 1HG2 THR 52 1HG2 THR 52 5.903 -13.153 -1.570 403 2HG2 THR 52 2HG2 THR 52 6.254 -11.425 -1.520 404 3HG2 THR 52 3HG2 THR 52 5.604 -12.151 -2.990 405 H GLU 53 H GLU 53 5.883 -9.194 -2.286 406 HA GLU 53 HA GLU 53 6.778 -8.543 0.302 407 1HB GLU 53 1HB GLU 53 7.908 -8.463 -2.145 408 2HB GLU 53 2HB GLU 53 7.557 -6.754 -1.926 409 1HG GLU 53 1HG GLU 53 8.718 -7.715 0.472 410 2HG GLU 53 2HG GLU 53 9.705 -8.274 -0.877 411 H PHE 54 H PHE 54 4.693 -6.873 -1.968 412 HA PHE 54 HA PHE 54 4.686 -4.373 -0.611 413 1HB PHE 54 1HB PHE 54 2.454 -5.376 -2.366 414 2HB PHE 54 2HB PHE 54 2.995 -3.718 -2.125 415 HD1 PHE 54 1HD PHE 54 2.818 -6.085 -4.508 416 HD2 PHE 54 2HD PHE 54 5.754 -3.648 -2.622 417 HE1 PHE 54 1HE PHE 54 4.245 -6.267 -6.503 418 HE2 PHE 54 2HE PHE 54 7.186 -3.825 -4.615 419 HZ PHE 54 HZ PHE 54 6.432 -5.135 -6.559 420 H ALA 55 H ALA 55 3.086 -7.369 -0.098 421 HA ALA 55 HA ALA 55 0.827 -6.373 1.330 422 1HB ALA 55 1HB ALA 55 1.436 -9.009 2.177 423 2HB ALA 55 2HB ALA 55 0.176 -8.475 1.063 424 3HB ALA 55 3HB ALA 55 1.774 -8.901 0.450 425 H CYS 56 H CYS 56 4.066 -6.405 2.079 426 HA CYS 56 HA CYS 56 3.516 -6.473 4.973 427 1HB CYS 56 1HB CYS 56 5.740 -7.530 3.348 428 2HB CYS 56 2HB CYS 56 6.226 -6.695 4.818 429 HG CYS 56 HG CYS 56 6.157 -9.033 5.960 430 H VAL 57 H VAL 57 3.784 -4.350 2.592 431 HA VAL 57 HA VAL 57 5.283 -2.404 4.224 432 HB VAL 57 HB VAL 57 6.281 -3.064 1.953 433 1HG1 VAL 57 1HG1 VAL 57 4.571 -1.065 0.648 434 2HG1 VAL 57 2HG1 VAL 57 5.232 -2.577 0.024 435 3HG1 VAL 57 3HG1 VAL 57 3.776 -2.594 1.020 436 1HG2 VAL 57 1HG2 VAL 57 7.045 -1.138 3.203 437 2HG2 VAL 57 2HG2 VAL 57 6.962 -0.737 1.488 438 3HG2 VAL 57 3HG2 VAL 57 5.705 -0.171 2.587 439 H VAL 58 H VAL 58 2.288 -3.263 3.007 440 HA VAL 58 HA VAL 58 1.299 -0.493 3.211 441 HB VAL 58 HB VAL 58 -0.090 -2.752 1.774 442 1HG1 VAL 58 1HG1 VAL 58 -1.196 -0.729 0.655 443 2HG1 VAL 58 2HG1 VAL 58 -1.669 -1.111 2.312 444 3HG1 VAL 58 3HG1 VAL 58 -0.539 0.207 1.998 445 1HG2 VAL 58 1HG2 VAL 58 0.828 -0.897 -0.103 446 2HG2 VAL 58 2HG2 VAL 58 2.203 -1.214 0.955 447 3HG2 VAL 58 3HG2 VAL 58 1.398 -2.549 0.133 448 H ALA 59 H ALA 59 1.455 -3.362 4.830 449 HA ALA 59 HA ALA 59 -1.172 -3.014 6.106 450 1HB ALA 59 1HB ALA 59 -1.061 -5.224 5.414 451 2HB ALA 59 2HB ALA 59 0.649 -5.371 5.821 452 3HB ALA 59 3HB ALA 59 -0.561 -5.318 7.103 453 H GLU 60 H GLU 60 2.213 -2.697 6.587 454 HA GLU 60 HA GLU 60 1.875 -2.500 9.496 455 1HB GLU 60 1HB GLU 60 4.321 -2.583 9.616 456 2HB GLU 60 2HB GLU 60 3.679 -3.966 8.741 457 1HG GLU 60 1HG GLU 60 5.349 -3.436 7.324 458 2HG GLU 60 2HG GLU 60 4.119 -2.355 6.671 459 H ALA 61 H ALA 61 3.024 -0.709 6.677 460 HA ALA 61 HA ALA 61 3.847 1.609 8.078 461 1HB ALA 61 1HB ALA 61 3.207 1.008 5.220 462 2HB ALA 61 2HB ALA 61 3.488 2.671 5.737 463 3HB ALA 61 3HB ALA 61 4.747 1.456 5.954 464 H VAL 62 H VAL 62 0.814 0.723 6.471 465 HA VAL 62 HA VAL 62 -0.545 3.129 6.677 466 HB VAL 62 HB VAL 62 -2.638 1.738 6.763 467 1HG1 VAL 62 1HG1 VAL 62 -2.374 0.854 4.519 468 2HG1 VAL 62 2HG1 VAL 62 -1.573 2.421 4.653 469 3HG1 VAL 62 3HG1 VAL 62 -0.619 0.937 4.670 470 1HG2 VAL 62 1HG2 VAL 62 -1.917 -0.157 8.011 471 2HG2 VAL 62 2HG2 VAL 62 -2.297 -0.723 6.384 472 3HG2 VAL 62 3HG2 VAL 62 -0.617 -0.494 6.868 473 H VAL 63 H VAL 63 -0.214 0.539 9.067 474 HA VAL 63 HA VAL 63 -1.980 1.500 10.996 475 HB VAL 63 HB VAL 63 0.584 -0.053 11.351 476 1HG1 VAL 63 1HG1 VAL 63 -1.001 -0.642 13.509 477 2HG1 VAL 63 2HG1 VAL 63 0.384 0.453 13.522 478 3HG1 VAL 63 3HG1 VAL 63 -1.247 1.093 13.314 479 1HG2 VAL 63 1HG2 VAL 63 -1.754 -0.822 10.165 480 2HG2 VAL 63 2HG2 VAL 63 -0.589 -1.913 10.914 481 3HG2 VAL 63 3HG2 VAL 63 -1.991 -1.356 11.829 482 H LYS 64 H LYS 64 1.496 2.138 10.609 483 HA LYS 64 HA LYS 64 1.940 3.711 12.828 484 1HB LYS 64 1HB LYS 64 3.122 4.299 10.115 485 2HB LYS 64 2HB LYS 64 3.841 4.606 11.690 486 1HG LYS 64 1HG LYS 64 3.883 2.128 12.052 487 2HG LYS 64 2HG LYS 64 3.392 1.943 10.367 488 1HD LYS 64 1HD LYS 64 5.428 2.531 9.573 489 2HD LYS 64 2HD LYS 64 5.703 3.714 10.855 490 1HE LYS 64 1HE LYS 64 5.646 1.117 12.017 491 2HE LYS 64 2HE LYS 64 6.729 1.079 10.627 492 1HZ LYS 64 1HZ LYS 64 6.922 2.695 13.080 493 2HZ LYS 64 2HZ LYS 64 7.655 3.239 11.657 494 3HZ LYS 64 3HZ LYS 64 8.107 1.752 12.326 495 H THR 65 H THR 65 0.407 4.570 9.790 496 HA THR 65 HA THR 65 0.201 7.370 10.552 497 HB THR 65 HB THR 65 -1.059 6.089 8.131 498 HG1 THR 65 1HG THR 65 1.376 5.829 8.478 499 1HG2 THR 65 1HG2 THR 65 -0.160 8.614 7.490 500 2HG2 THR 65 2HG2 THR 65 -0.727 8.802 9.150 501 3HG2 THR 65 3HG2 THR 65 -1.818 8.186 7.910 502 H LEU 66 H LEU 66 -1.663 4.484 10.700 503 HA LEU 66 HA LEU 66 -4.112 6.007 11.260 504 1HB LEU 66 1HB LEU 66 -3.593 3.182 10.416 505 2HB LEU 66 2HB LEU 66 -5.116 3.622 11.185 506 HG LEU 66 HG LEU 66 -4.661 5.456 9.070 507 1HD1 LEU 66 1HD1 LEU 66 -3.848 2.674 8.477 508 2HD1 LEU 66 2HD1 LEU 66 -3.332 4.191 7.742 509 3HD1 LEU 66 3HD1 LEU 66 -4.883 3.479 7.297 510 1HD2 LEU 66 1HD2 LEU 66 -6.863 5.115 9.456 511 2HD2 LEU 66 2HD2 LEU 66 -6.639 3.418 9.884 512 3HD2 LEU 66 3HD2 LEU 66 -6.662 3.905 8.188 513 H GLN 67 H GLN 67 -2.317 6.232 13.247 514 HA GLN 67 HA GLN 67 -3.412 4.469 15.336 515 1HB GLN 67 1HB GLN 67 -0.574 5.326 14.863 516 2HB GLN 67 2HB GLN 67 -1.122 4.915 16.483 517 1HG GLN 67 1HG GLN 67 -1.872 2.921 14.509 518 2HG GLN 67 2HG GLN 67 -0.130 3.171 14.603 519 1HE2 GLN 67 1HE2 GLN 67 0.819 1.814 15.925 520 2HE2 GLN 67 2HE2 GLN 67 0.162 1.184 17.393 521 HA PRO 68 HA PRO 68 -3.588 9.183 16.197 522 1HB PRO 68 1HB PRO 68 -6.157 9.678 15.473 523 2HB PRO 68 2HB PRO 68 -4.795 9.856 14.361 524 1HG PRO 68 1HG PRO 68 -6.729 7.589 14.639 525 2HG PRO 68 2HG PRO 68 -6.100 8.348 13.166 526 1HD PRO 68 1HD PRO 68 -5.137 6.006 14.123 527 2HD PRO 68 2HD PRO 68 -4.119 7.174 13.256 528 H VAL 69 H VAL 69 -6.360 6.942 16.408 529 HA VAL 69 HA VAL 69 -6.296 7.045 19.292 530 HB VAL 69 HB VAL 69 -8.820 7.652 19.301 531 1HG1 VAL 69 1HG1 VAL 69 -7.311 10.106 18.725 532 2HG1 VAL 69 2HG1 VAL 69 -8.199 9.630 20.174 533 3HG1 VAL 69 3HG1 VAL 69 -6.563 9.028 19.903 534 1HG2 VAL 69 1HG2 VAL 69 -9.480 9.239 17.565 535 2HG2 VAL 69 2HG2 VAL 69 -7.945 8.981 16.737 536 3HG2 VAL 69 3HG2 VAL 69 -9.105 7.661 16.872 537 H SER 70 H SER 70 -5.800 4.813 18.201 538 HA SER 70 HA SER 70 -7.950 3.264 17.216 539 1HB SER 70 1HB SER 70 -6.322 1.353 18.126 540 2HB SER 70 2HB SER 70 -5.955 2.272 16.667 541 HG SER 70 HG SER 70 -4.317 3.153 17.649 542 H ASP 71 H ASP 71 -7.236 4.380 20.322 543 HA ASP 71 HA ASP 71 -8.144 2.263 21.931 544 1HB ASP 71 1HB ASP 71 -8.329 3.882 23.701 545 2HB ASP 71 2HB ASP 71 -6.907 4.284 22.742 546 H LEU 72 H LEU 72 -9.823 4.345 19.826 547 HA LEU 72 HA LEU 72 -12.385 3.916 21.170 548 1HB LEU 72 1HB LEU 72 -13.283 5.582 19.780 549 2HB LEU 72 2HB LEU 72 -11.690 6.165 20.260 550 HG LEU 72 HG LEU 72 -11.014 5.058 17.937 551 1HD1 LEU 72 1HD1 LEU 72 -12.942 4.222 17.050 552 2HD1 LEU 72 2HD1 LEU 72 -12.998 5.858 16.394 553 3HD1 LEU 72 3HD1 LEU 72 -13.958 5.445 17.815 554 1HD2 LEU 72 1HD2 LEU 72 -11.097 7.243 16.971 555 2HD2 LEU 72 2HD2 LEU 72 -10.738 7.421 18.689 556 3HD2 LEU 72 3HD2 LEU 72 -12.365 7.747 18.089 557 H LEU 73 H LEU 73 -10.653 3.106 18.219 558 HA LEU 73 HA LEU 73 -12.757 1.935 16.791 559 1HB LEU 73 1HB LEU 73 -9.903 0.991 16.726 560 2HB LEU 73 2HB LEU 73 -11.100 0.911 15.435 561 HG LEU 73 HG LEU 73 -9.804 3.424 16.491 562 1HD1 LEU 73 1HD1 LEU 73 -9.474 2.185 13.775 563 2HD1 LEU 73 2HD1 LEU 73 -8.392 1.822 15.119 564 3HD1 LEU 73 3HD1 LEU 73 -8.528 3.474 14.519 565 1HD2 LEU 73 1HD2 LEU 73 -11.348 4.602 15.415 566 2HD2 LEU 73 2HD2 LEU 73 -12.261 3.108 15.200 567 3HD2 LEU 73 3HD2 LEU 73 -11.138 3.644 13.950 568 H THR 74 H THR 74 -10.726 0.696 19.360 569 HA THR 74 HA THR 74 -11.465 -2.038 19.064 570 HB THR 74 HB THR 74 -10.699 -1.138 21.766 571 HG1 THR 74 1HG THR 74 -8.838 -0.914 19.620 572 1HG2 THR 74 1HG2 THR 74 -8.903 -2.929 21.234 573 2HG2 THR 74 2HG2 THR 74 -9.899 -3.275 19.821 574 3HG2 THR 74 3HG2 THR 74 -10.578 -3.441 21.440 575 H ASN 75 H ASN 75 -13.033 0.696 20.383 576 HA ASN 75 HA ASN 75 -14.669 -0.700 22.279 577 1HB ASN 75 1HB ASN 75 -15.008 2.043 21.045 578 2HB ASN 75 2HB ASN 75 -15.923 1.422 22.416 579 1HD2 ASN 75 1HD2 ASN 75 -14.448 3.763 22.527 580 2HD2 ASN 75 2HD2 ASN 75 -13.125 3.540 23.616 581 H MET 76 H MET 76 -14.797 -0.071 18.889 582 HA MET 76 HA MET 76 -17.618 -0.860 18.760 583 1HB MET 76 1HB MET 76 -17.387 -0.209 16.330 584 2HB MET 76 2HB MET 76 -17.199 1.103 17.487 585 1HG MET 76 1HG MET 76 -14.826 1.084 17.227 586 2HG MET 76 2HG MET 76 -14.896 -0.378 16.246 587 1HE MET 76 1HE MET 76 -14.531 3.011 16.580 588 2HE MET 76 2HE MET 76 -14.316 3.575 14.923 589 3HE MET 76 3HE MET 76 -15.867 3.792 15.735 590 H GLY 77 H GLY 77 -14.407 -1.959 18.053 591 1HA GLY 77 2HA GLY 77 -14.454 -4.520 18.017 592 2HA GLY 77 1HA GLY 77 -15.495 -4.293 16.620 593 H ILE 78 H ILE 78 -14.036 -1.997 15.609 594 HA ILE 78 HA ILE 78 -12.228 -3.289 13.918 595 HB ILE 78 HB ILE 78 -12.446 -0.362 14.621 596 1HG1 ILE 78 1HG1 ILE 78 -13.415 -1.921 12.215 597 2HG1 ILE 78 2HG1 ILE 78 -14.430 -1.383 13.549 598 1HG2 ILE 78 1HG2 ILE 78 -10.240 -0.706 13.784 599 2HG2 ILE 78 2HG2 ILE 78 -10.833 -1.733 12.480 600 3HG2 ILE 78 3HG2 ILE 78 -11.200 -0.008 12.479 601 1HD1 ILE 78 1HD1 ILE 78 -13.727 0.965 12.973 602 2HD1 ILE 78 2HD1 ILE 78 -13.022 0.296 11.501 603 3HD1 ILE 78 3HD1 ILE 78 -14.755 0.150 11.795 604 H ASP 79 H ASP 79 -10.474 -4.324 14.636 605 HA ASP 79 HA ASP 79 -8.911 -3.257 16.838 606 1HB ASP 79 1HB ASP 79 -9.431 -5.835 15.846 607 2HB ASP 79 2HB ASP 79 -7.718 -5.549 15.549 608 H LEU 80 H LEU 80 -7.059 -2.162 16.652 609 HA LEU 80 HA LEU 80 -6.077 -1.564 13.977 610 1HB LEU 80 1HB LEU 80 -6.514 0.184 15.759 611 2HB LEU 80 2HB LEU 80 -5.083 -0.435 16.582 612 HG LEU 80 HG LEU 80 -4.773 1.652 15.188 613 1HD1 LEU 80 1HD1 LEU 80 -2.600 1.127 14.963 614 2HD1 LEU 80 2HD1 LEU 80 -2.938 -0.331 14.031 615 3HD1 LEU 80 3HD1 LEU 80 -3.072 -0.358 15.789 616 1HD2 LEU 80 1HD2 LEU 80 -4.595 1.438 12.811 617 2HD2 LEU 80 2HD2 LEU 80 -6.188 0.855 13.296 618 3HD2 LEU 80 3HD2 LEU 80 -4.912 -0.295 12.892 619 H ASP 81 H ASP 81 -5.107 -3.239 16.883 620 HA ASP 81 HA ASP 81 -2.362 -3.548 16.149 621 1HB ASP 81 1HB ASP 81 -3.998 -4.149 18.409 622 2HB ASP 81 2HB ASP 81 -3.163 -5.623 17.927 623 H GLU 82 H GLU 82 -5.234 -4.998 15.109 624 HA GLU 82 HA GLU 82 -4.031 -7.542 14.404 625 1HB GLU 82 1HB GLU 82 -6.157 -8.278 13.890 626 2HB GLU 82 2HB GLU 82 -6.506 -7.062 15.111 627 1HG GLU 82 1HG GLU 82 -6.836 -5.442 13.185 628 2HG GLU 82 2HG GLU 82 -6.832 -6.859 12.137 629 H TRP 83 H TRP 83 -4.821 -4.495 12.908 630 HA TRP 83 HA TRP 83 -4.859 -5.116 10.230 631 1HB TRP 83 1HB TRP 83 -3.807 -2.719 11.712 632 2HB TRP 83 2HB TRP 83 -3.722 -2.807 9.955 633 HD1 TRP 83 HD TRP 83 -6.799 -4.339 11.511 634 HE1 TRP 83 1HE TRP 83 -8.832 -2.831 11.046 635 HE3 TRP 83 3HE TRP 83 -4.365 -0.249 9.644 636 HZ2 TRP 83 2HZ TRP 83 -9.337 -0.249 10.023 637 HZ3 TRP 83 3HZ TRP 83 -5.697 1.699 8.945 638 HH2 TRP 83 HH TRP 83 -8.132 1.696 9.131 639 H SER 84 H SER 84 -1.983 -4.369 12.195 640 HA SER 84 HA SER 84 -0.082 -4.716 10.176 641 1HB SER 84 1HB SER 84 -0.065 -4.201 12.959 642 2HB SER 84 2HB SER 84 0.987 -5.592 12.696 643 HG SER 84 HG SER 84 1.235 -2.965 11.778 644 H VAL 85 H VAL 85 -1.425 -7.040 12.489 645 HA VAL 85 HA VAL 85 0.036 -9.210 11.176 646 HB VAL 85 HB VAL 85 -0.072 -8.976 13.714 647 1HG1 VAL 85 1HG1 VAL 85 -2.703 -8.662 13.406 648 2HG1 VAL 85 2HG1 VAL 85 -2.664 -10.408 13.654 649 3HG1 VAL 85 3HG1 VAL 85 -1.991 -9.327 14.875 650 1HG2 VAL 85 1HG2 VAL 85 -0.616 -11.431 12.127 651 2HG2 VAL 85 2HG2 VAL 85 0.801 -10.992 13.080 652 3HG2 VAL 85 3HG2 VAL 85 -0.666 -11.545 13.886 653 H ALA 86 H ALA 86 -2.088 -7.919 9.753 654 HA ALA 86 HA ALA 86 -4.166 -10.003 9.731 655 1HB ALA 86 1HB ALA 86 -4.314 -7.172 9.605 656 2HB ALA 86 2HB ALA 86 -4.888 -7.820 8.068 657 3HB ALA 86 3HB ALA 86 -5.630 -8.346 9.579 658 H THR 87 H THR 87 -5.198 -9.935 7.314 659 HA THR 87 HA THR 87 -2.946 -10.590 5.532 660 HB THR 87 HB THR 87 -5.762 -11.680 5.382 661 HG1 THR 87 1HG THR 87 -3.420 -12.623 6.656 662 1HG2 THR 87 1HG2 THR 87 -3.228 -12.623 4.036 663 2HG2 THR 87 2HG2 THR 87 -4.464 -11.634 3.258 664 3HG2 THR 87 3HG2 THR 87 -4.855 -13.264 3.806 665 H PHE 88 H PHE 88 -2.736 -8.517 4.646 666 HA PHE 88 HA PHE 88 -5.019 -7.254 3.392 667 1HB PHE 88 1HB PHE 88 -2.170 -6.518 3.879 668 2HB PHE 88 2HB PHE 88 -3.019 -5.712 2.564 669 HD1 PHE 88 1HD PHE 88 -4.263 -6.806 5.893 670 HD2 PHE 88 2HD PHE 88 -3.388 -3.549 3.296 671 HE1 PHE 88 1HE PHE 88 -5.275 -5.250 7.509 672 HE2 PHE 88 2HE PHE 88 -4.397 -1.988 4.908 673 HZ PHE 88 HZ PHE 88 -5.342 -2.837 7.017 674 H TYR 89 H TYR 89 -5.681 -7.700 1.407 675 HA TYR 89 HA TYR 89 -3.861 -9.090 -0.422 676 1HB TYR 89 1HB TYR 89 -6.866 -8.771 -0.438 677 2HB TYR 89 2HB TYR 89 -5.958 -9.568 -1.718 678 HD1 TYR 89 1HD TYR 89 -4.829 -11.714 -1.287 679 HD2 TYR 89 2HD TYR 89 -7.261 -9.853 1.668 680 HE1 TYR 89 1HE TYR 89 -4.930 -13.834 -0.044 681 HE2 TYR 89 2HE TYR 89 -7.368 -11.968 2.920 682 HH TYR 89 HH TYR 89 -6.922 -14.757 1.859 683 H LEU 90 H LEU 90 -3.972 -8.516 -2.734 684 HA LEU 90 HA LEU 90 -4.646 -5.704 -3.226 685 1HB LEU 90 1HB LEU 90 -2.083 -6.920 -4.212 686 2HB LEU 90 2HB LEU 90 -2.566 -5.225 -4.236 687 HG LEU 90 HG LEU 90 -2.542 -5.977 -1.533 688 1HD1 LEU 90 1HD1 LEU 90 -0.309 -7.200 -3.103 689 2HD1 LEU 90 2HD1 LEU 90 -1.240 -7.877 -1.767 690 3HD1 LEU 90 3HD1 LEU 90 -0.040 -6.623 -1.458 691 1HD2 LEU 90 1HD2 LEU 90 -1.924 -3.809 -2.738 692 2HD2 LEU 90 2HD2 LEU 90 -0.325 -4.525 -2.943 693 3HD2 LEU 90 3HD2 LEU 90 -0.970 -4.256 -1.324 694 H PHE 91 H PHE 91 -5.183 -5.200 -5.356 695 HA PHE 91 HA PHE 91 -5.191 -7.370 -7.314 696 1HB PHE 91 1HB PHE 91 -7.552 -6.312 -5.956 697 2HB PHE 91 2HB PHE 91 -7.675 -6.222 -7.710 698 HD1 PHE 91 1HD PHE 91 -7.581 -8.405 -4.811 699 HD2 PHE 91 2HD PHE 91 -7.607 -8.262 -9.065 700 HE1 PHE 91 1HE PHE 91 -8.186 -10.789 -4.884 701 HE2 PHE 91 2HE PHE 91 -8.213 -10.645 -9.145 702 HZ PHE 91 HZ PHE 91 -8.504 -11.912 -7.053 703 H ASP 92 H ASP 92 -6.358 -6.368 -9.416 704 HA ASP 92 HA ASP 92 -5.209 -3.686 -9.826 705 1HB ASP 92 1HB ASP 92 -4.965 -6.156 -11.512 706 2HB ASP 92 2HB ASP 92 -4.886 -4.565 -12.264 707 H ASP 93 H ASP 93 -6.067 -2.884 -12.126 708 HA ASP 93 HA ASP 93 -8.876 -2.536 -11.782 709 1HB ASP 93 1HB ASP 93 -7.571 -0.709 -12.660 710 2HB ASP 93 2HB ASP 93 -7.001 -1.699 -14.000 711 H ALA 94 H ALA 94 -6.971 -4.838 -13.414 712 HA ALA 94 HA ALA 94 -9.171 -5.605 -15.195 713 1HB ALA 94 1HB ALA 94 -6.347 -6.660 -15.123 714 2HB ALA 94 2HB ALA 94 -7.568 -6.988 -16.354 715 3HB ALA 94 3HB ALA 94 -6.916 -5.360 -16.171 716 H GLY 95 H GLY 95 -8.190 -6.236 -12.128 717 1HA GLY 95 2HA GLY 95 -9.103 -7.818 -10.675 718 2HA GLY 95 1HA GLY 95 -9.680 -8.727 -12.064 719 H GLU 96 H GLU 96 -6.364 -7.653 -11.573 720 HA GLU 96 HA GLU 96 -5.578 -10.455 -11.127 721 1HB GLU 96 1HB GLU 96 -3.552 -9.998 -12.513 722 2HB GLU 96 2HB GLU 96 -5.058 -9.970 -13.418 723 1HG GLU 96 1HG GLU 96 -5.004 -7.437 -13.069 724 2HG GLU 96 2HG GLU 96 -3.319 -7.673 -12.606 725 H GLU 97 H GLU 97 -3.819 -10.809 -9.781 726 HA GLU 97 HA GLU 97 -3.306 -8.714 -7.873 727 1HB GLU 97 1HB GLU 97 -3.548 -11.298 -7.491 728 2HB GLU 97 2HB GLU 97 -1.834 -11.321 -7.883 729 1HG GLU 97 1HG GLU 97 -1.244 -10.439 -5.916 730 2HG GLU 97 2HG GLU 97 -2.585 -9.296 -5.912 731 H ASN 98 H ASN 98 -2.284 -7.273 -9.474 732 HA ASN 98 HA ASN 98 0.575 -7.915 -9.793 733 1HB ASN 98 1HB ASN 98 -1.287 -6.478 -11.684 734 2HB ASN 98 2HB ASN 98 0.465 -6.357 -11.811 735 1HD2 ASN 98 1HD2 ASN 98 -1.613 -7.526 -13.588 736 2HD2 ASN 98 2HD2 ASN 98 -1.082 -9.142 -13.890 737 H PHE 99 H PHE 99 1.833 -5.768 -10.249 738 HA PHE 99 HA PHE 99 0.910 -3.760 -8.300 739 1HB PHE 99 1HB PHE 99 3.382 -3.309 -7.937 740 2HB PHE 99 2HB PHE 99 2.784 -4.846 -7.321 741 HD1 PHE 99 1HD PHE 99 5.063 -3.216 -9.585 742 HD2 PHE 99 2HD PHE 99 3.255 -6.939 -8.588 743 HE1 PHE 99 1HE PHE 99 6.795 -4.398 -10.872 744 HE2 PHE 99 2HE PHE 99 4.985 -8.127 -9.873 745 HZ PHE 99 HZ PHE 99 6.758 -6.857 -11.016 746 H SER 100 H SER 100 -0.021 -3.244 -10.667 747 HA SER 100 HA SER 100 1.818 -1.805 -12.351 748 1HB SER 100 1HB SER 100 -0.253 -3.059 -13.147 749 2HB SER 100 2HB SER 100 -1.198 -1.718 -12.500 750 HG SER 100 HG SER 100 0.032 -1.873 -14.843 751 H SER 101 H SER 101 0.439 0.421 -13.129 752 HA SER 101 HA SER 101 1.255 2.376 -11.374 753 1HB SER 101 1HB SER 101 -0.370 2.259 -13.775 754 2HB SER 101 2HB SER 101 -0.958 3.498 -12.666 755 HG SER 101 HG SER 101 0.604 4.450 -13.899 756 H ARG 102 H ARG 102 -1.745 0.582 -11.406 757 HA ARG 102 HA ARG 102 -2.542 1.978 -8.937 758 1HB ARG 102 1HB ARG 102 -4.060 2.627 -10.707 759 2HB ARG 102 2HB ARG 102 -4.315 0.946 -11.155 760 1HG ARG 102 1HG ARG 102 -5.650 0.518 -9.324 761 2HG ARG 102 2HG ARG 102 -4.983 1.862 -8.395 762 1HD ARG 102 1HD ARG 102 -7.003 2.757 -8.966 763 2HD ARG 102 2HD ARG 102 -6.045 3.281 -10.351 764 HE ARG 102 HE ARG 102 -7.347 0.739 -10.714 765 1HH1 ARG 102 2HH1 ARG 102 -7.645 4.194 -11.013 766 2HH1 ARG 102 1HH1 ARG 102 -8.878 4.114 -12.228 767 1HH2 ARG 102 2HH2 ARG 102 -8.969 0.619 -12.313 768 2HH2 ARG 102 1HH2 ARG 102 -9.631 2.080 -12.967 769 H MET 103 H MET 103 -3.187 0.736 -7.236 770 HA MET 103 HA MET 103 -3.503 -2.146 -7.641 771 1HB MET 103 1HB MET 103 -1.153 -1.830 -7.051 772 2HB MET 103 2HB MET 103 -1.618 -0.906 -5.628 773 1HG MET 103 1HG MET 103 -2.041 -2.738 -4.423 774 2HG MET 103 2HG MET 103 -2.822 -3.564 -5.769 775 1HE MET 103 1HE MET 103 1.603 -2.889 -5.528 776 2HE MET 103 2HE MET 103 0.334 -2.047 -4.639 777 3HE MET 103 3HE MET 103 1.067 -3.502 -3.963 778 H TYR 104 H TYR 104 -5.471 -2.554 -6.883 779 HA TYR 104 HA TYR 104 -6.673 -0.938 -4.825 780 1HB TYR 104 1HB TYR 104 -7.606 -3.333 -6.400 781 2HB TYR 104 2HB TYR 104 -8.566 -2.641 -5.097 782 HD1 TYR 104 1HD TYR 104 -8.375 -2.742 -8.484 783 HD2 TYR 104 2HD TYR 104 -8.544 0.138 -5.357 784 HE1 TYR 104 1HE TYR 104 -9.314 -1.100 -10.055 785 HE2 TYR 104 2HE TYR 104 -9.484 1.788 -6.919 786 HH TYR 104 HH TYR 104 -10.935 1.394 -9.358 787 H CYS 105 H CYS 105 -6.548 -1.281 -2.715 788 HA CYS 105 HA CYS 105 -5.380 -3.760 -1.734 789 1HB CYS 105 1HB CYS 105 -4.462 -1.715 -0.832 790 2HB CYS 105 2HB CYS 105 -6.061 -1.158 -0.354 791 HG CYS 105 HG CYS 105 -5.864 -3.933 1.161 792 H SER 106 H SER 106 -6.864 -5.356 -1.668 793 HA SER 106 HA SER 106 -9.479 -4.791 -0.457 794 1HB SER 106 1HB SER 106 -9.611 -7.385 -1.362 795 2HB SER 106 2HB SER 106 -10.145 -5.968 -2.265 796 HG SER 106 HG SER 106 -7.987 -7.607 -2.682 797 H PHE 107 H PHE 107 -10.304 -6.099 1.208 798 HA PHE 107 HA PHE 107 -8.226 -7.283 2.888 799 1HB PHE 107 1HB PHE 107 -9.753 -7.047 4.719 800 2HB PHE 107 2HB PHE 107 -9.805 -5.546 3.800 801 HD1 PHE 107 1HD PHE 107 -11.665 -8.420 4.953 802 HD2 PHE 107 2HD PHE 107 -11.739 -5.067 2.332 803 HE1 PHE 107 1HE PHE 107 -14.108 -8.638 4.749 804 HE2 PHE 107 2HE PHE 107 -14.181 -5.279 2.124 805 HZ PHE 107 HZ PHE 107 -15.369 -7.065 3.334 806 H TYR 108 H TYR 108 -9.636 -8.530 0.476 807 HA TYR 108 HA TYR 108 -10.240 -11.077 1.805 808 1HB TYR 108 1HB TYR 108 -12.129 -11.482 0.340 809 2HB TYR 108 2HB TYR 108 -12.374 -9.965 1.199 810 HD1 TYR 108 1HD TYR 108 -12.164 -11.554 -2.007 811 HD2 TYR 108 2HD TYR 108 -11.873 -7.797 -0.032 812 HE1 TYR 108 1HE TYR 108 -12.514 -10.406 -4.154 813 HE2 TYR 108 2HE TYR 108 -12.224 -6.638 -2.173 814 HH TYR 108 HH TYR 108 -12.664 -8.455 -5.195 815 HA PRO 109 HA PRO 109 -7.581 -12.893 -1.178 816 1HB PRO 109 1HB PRO 109 -8.715 -15.341 -1.480 817 2HB PRO 109 2HB PRO 109 -7.831 -14.865 -0.025 818 1HG PRO 109 1HG PRO 109 -10.784 -14.928 -0.511 819 2HG PRO 109 2HG PRO 109 -9.874 -15.454 0.917 820 1HD PRO 109 1HD PRO 109 -11.163 -13.075 0.806 821 2HD PRO 109 2HD PRO 109 -9.665 -13.307 1.730 822 HA PRO 110 HA PRO 110 -9.141 -12.567 -5.276 823 1HB PRO 110 1HB PRO 110 -7.787 -14.518 -6.592 824 2HB PRO 110 2HB PRO 110 -7.019 -13.028 -6.028 825 1HG PRO 110 1HG PRO 110 -7.026 -15.747 -4.775 826 2HG PRO 110 2HG PRO 110 -5.684 -14.603 -4.958 827 1HD PRO 110 1HD PRO 110 -7.043 -14.895 -2.635 828 2HD PRO 110 2HD PRO 110 -6.344 -13.344 -3.144 829 H ASP 111 H ASP 111 -8.902 -15.996 -4.318 830 HA ASP 111 HA ASP 111 -11.627 -16.551 -4.546 831 1HB ASP 111 1HB ASP 111 -10.286 -16.416 -7.076 832 2HB ASP 111 2HB ASP 111 -10.776 -18.081 -6.774 833 H GLU 112 H GLU 112 -8.334 -17.723 -4.833 834 HA GLU 112 HA GLU 112 -8.675 -20.436 -4.468 835 1HB GLU 112 1HB GLU 112 -6.526 -18.643 -4.429 836 2HB GLU 112 2HB GLU 112 -6.456 -19.468 -2.879 837 1HG GLU 112 1HG GLU 112 -5.268 -20.981 -4.021 838 2HG GLU 112 2HG GLU 112 -6.854 -21.567 -4.518 Start of MODEL 7 1 1H ALA 1 1H ALA 1 16.204 10.237 -3.545 2 HA ALA 1 HA ALA 1 15.145 10.573 -5.613 3 1HB ALA 1 1HB ALA 1 17.737 11.259 -6.309 4 2HB ALA 1 2HB ALA 1 17.341 9.916 -7.383 5 3HB ALA 1 3HB ALA 1 16.311 11.347 -7.343 6 HA PRO 2 HA PRO 2 14.300 6.341 -6.409 7 1HB PRO 2 1HB PRO 2 13.291 6.421 -8.928 8 2HB PRO 2 2HB PRO 2 12.411 7.031 -7.522 9 1HG PRO 2 1HG PRO 2 14.004 8.538 -9.559 10 2HG PRO 2 2HG PRO 2 12.431 8.942 -8.847 11 1HD PRO 2 1HD PRO 2 14.741 10.085 -8.018 12 2HD PRO 2 2HD PRO 2 13.377 9.785 -6.922 13 H ILE 3 H ILE 3 16.712 7.972 -8.089 14 HA ILE 3 HA ILE 3 17.435 5.776 -9.840 15 HB ILE 3 HB ILE 3 19.117 8.206 -9.275 16 1HG1 ILE 3 1HG1 ILE 3 16.845 7.933 -11.255 17 2HG1 ILE 3 2HG1 ILE 3 16.881 8.997 -9.852 18 1HG2 ILE 3 1HG2 ILE 3 19.853 7.797 -11.618 19 2HG2 ILE 3 2HG2 ILE 3 20.248 6.488 -10.504 20 3HG2 ILE 3 3HG2 ILE 3 18.887 6.321 -11.614 21 1HD1 ILE 3 1HD1 ILE 3 17.669 10.576 -11.183 22 2HD1 ILE 3 2HD1 ILE 3 19.160 9.642 -11.316 23 3HD1 ILE 3 3HD1 ILE 3 17.878 9.431 -12.509 24 H LYS 4 H LYS 4 19.491 4.707 -9.746 25 HA LYS 4 HA LYS 4 20.132 3.654 -7.248 26 1HB LYS 4 1HB LYS 4 20.658 2.523 -9.358 27 2HB LYS 4 2HB LYS 4 21.843 3.765 -9.740 28 1HG LYS 4 1HG LYS 4 22.994 1.833 -8.937 29 2HG LYS 4 2HG LYS 4 23.114 3.102 -7.716 30 1HD LYS 4 1HD LYS 4 20.839 1.813 -6.947 31 2HD LYS 4 2HD LYS 4 21.798 0.481 -7.597 32 1HE LYS 4 1HE LYS 4 23.362 0.632 -5.960 33 2HE LYS 4 2HE LYS 4 23.203 2.382 -5.820 34 1HZ LYS 4 1HZ LYS 4 21.672 0.265 -4.499 35 2HZ LYS 4 2HZ LYS 4 20.876 1.715 -4.853 36 3HZ LYS 4 3HZ LYS 4 22.255 1.725 -3.874 37 H GLY 5 H GLY 5 21.968 3.902 -5.900 38 1HA GLY 5 2HA GLY 5 22.629 6.458 -5.143 39 2HA GLY 5 1HA GLY 5 23.636 5.056 -4.813 40 H VAL 6 H VAL 6 24.474 4.362 -7.342 41 HA VAL 6 HA VAL 6 26.134 6.687 -8.049 42 HB VAL 6 HB VAL 6 26.742 3.808 -8.703 43 1HG1 VAL 6 1HG1 VAL 6 28.544 4.600 -9.737 44 2HG1 VAL 6 2HG1 VAL 6 27.871 6.220 -9.543 45 3HG1 VAL 6 3HG1 VAL 6 28.987 5.577 -8.338 46 1HG2 VAL 6 1HG2 VAL 6 28.275 3.839 -6.775 47 2HG2 VAL 6 2HG2 VAL 6 27.633 5.414 -6.308 48 3HG2 VAL 6 3HG2 VAL 6 26.587 3.994 -6.291 49 H THR 7 H THR 7 23.802 6.963 -9.198 50 HA THR 7 HA THR 7 24.365 6.663 -11.996 51 HB THR 7 HB THR 7 21.838 5.332 -11.026 52 HG1 THR 7 1HG THR 7 24.054 3.883 -11.997 53 1HG2 THR 7 1HG2 THR 7 22.764 6.172 -13.560 54 2HG2 THR 7 2HG2 THR 7 21.322 5.227 -13.190 55 3HG2 THR 7 3HG2 THR 7 22.845 4.411 -13.540 56 H PHE 8 H PHE 8 23.167 8.057 -13.274 57 HA PHE 8 HA PHE 8 20.796 9.349 -12.444 58 1HB PHE 8 1HB PHE 8 21.646 11.596 -12.022 59 2HB PHE 8 2HB PHE 8 22.339 10.460 -10.869 60 HD1 PHE 8 1HD PHE 8 24.683 9.615 -11.277 61 HD2 PHE 8 2HD PHE 8 23.010 12.912 -13.385 62 HE1 PHE 8 1HE PHE 8 26.944 10.358 -11.902 63 HE2 PHE 8 2HE PHE 8 25.268 13.660 -14.014 64 HZ PHE 8 HZ PHE 8 27.239 12.383 -13.273 65 H GLY 9 H GLY 9 19.786 9.959 -14.244 66 1HA GLY 9 2HA GLY 9 19.427 10.369 -16.479 67 2HA GLY 9 1HA GLY 9 20.748 11.514 -16.299 68 H GLU 10 H GLU 10 20.719 7.962 -16.161 69 HA GLU 10 HA GLU 10 22.986 7.896 -17.973 70 1HB GLU 10 1HB GLU 10 21.621 5.913 -16.201 71 2HB GLU 10 2HB GLU 10 22.605 5.322 -17.533 72 1HG GLU 10 1HG GLU 10 23.640 7.279 -15.507 73 2HG GLU 10 2HG GLU 10 23.737 5.533 -15.285 74 H ASP 11 H ASP 11 19.586 7.027 -17.938 75 HA ASP 11 HA ASP 11 19.639 6.795 -20.840 76 1HB ASP 11 1HB ASP 11 19.949 4.482 -19.712 77 2HB ASP 11 2HB ASP 11 18.250 4.636 -19.275 78 H THR 12 H THR 12 17.330 5.996 -18.244 79 HA THR 12 HA THR 12 15.754 8.305 -18.514 80 HB THR 12 HB THR 12 15.134 7.559 -20.702 81 HG1 THR 12 1HG THR 12 13.243 8.229 -19.998 82 1HG2 THR 12 1HG2 THR 12 15.243 4.933 -19.466 83 2HG2 THR 12 2HG2 THR 12 15.348 5.382 -21.168 84 3HG2 THR 12 3HG2 THR 12 13.772 5.161 -20.409 85 H VAL 13 H VAL 13 14.169 8.397 -16.964 86 HA VAL 13 HA VAL 13 14.318 6.601 -14.806 87 HB VAL 13 HB VAL 13 11.955 8.398 -15.284 88 1HG1 VAL 13 1HG1 VAL 13 11.752 7.052 -13.334 89 2HG1 VAL 13 2HG1 VAL 13 13.408 7.409 -12.838 90 3HG1 VAL 13 3HG1 VAL 13 12.181 8.676 -12.798 91 1HG2 VAL 13 1HG2 VAL 13 13.384 10.140 -14.068 92 2HG2 VAL 13 2HG2 VAL 13 14.767 9.161 -14.556 93 3HG2 VAL 13 3HG2 VAL 13 13.711 9.867 -15.779 94 H TRP 14 H TRP 14 12.602 5.281 -13.909 95 HA TRP 14 HA TRP 14 11.066 3.606 -14.005 96 1HB TRP 14 1HB TRP 14 10.081 5.525 -16.055 97 2HB TRP 14 2HB TRP 14 9.391 3.905 -16.068 98 HD1 TRP 14 HD TRP 14 9.793 6.914 -13.672 99 HE1 TRP 14 1HE TRP 14 7.846 6.859 -11.990 100 HE3 TRP 14 3HE TRP 14 7.633 2.498 -15.074 101 HZ2 TRP 14 2HZ TRP 14 5.680 5.168 -11.343 102 HZ3 TRP 14 3HZ TRP 14 5.626 1.732 -13.873 103 HH2 TRP 14 HH TRP 14 4.672 3.041 -12.046 104 H GLU 15 H GLU 15 13.570 3.808 -15.875 105 HA GLU 15 HA GLU 15 13.144 1.202 -17.068 106 1HB GLU 15 1HB GLU 15 13.350 3.701 -18.651 107 2HB GLU 15 2HB GLU 15 14.289 2.331 -19.225 108 1HG GLU 15 1HG GLU 15 12.230 0.971 -19.241 109 2HG GLU 15 2HG GLU 15 11.316 2.402 -18.769 110 H VAL 16 H VAL 16 14.916 2.970 -15.174 111 HA VAL 16 HA VAL 16 17.324 1.458 -15.661 112 HB VAL 16 HB VAL 16 17.558 3.497 -17.123 113 1HG1 VAL 16 1HG1 VAL 16 17.724 5.632 -16.258 114 2HG1 VAL 16 2HG1 VAL 16 16.436 4.940 -15.271 115 3HG1 VAL 16 3HG1 VAL 16 18.074 5.059 -14.628 116 1HG2 VAL 16 1HG2 VAL 16 19.774 3.310 -16.880 117 2HG2 VAL 16 2HG2 VAL 16 19.728 3.864 -15.207 118 3HG2 VAL 16 3HG2 VAL 16 19.406 2.172 -15.584 119 H GLN 17 H GLN 17 15.593 3.886 -13.806 120 HA GLN 17 HA GLN 17 17.286 4.025 -11.581 121 1HB GLN 17 1HB GLN 17 15.687 5.346 -10.676 122 2HB GLN 17 2HB GLN 17 15.010 5.288 -12.298 123 1HG GLN 17 1HG GLN 17 14.199 3.122 -10.469 124 2HG GLN 17 2HG GLN 17 13.611 4.739 -10.084 125 1HE2 GLN 17 1HE2 GLN 17 11.738 5.239 -10.944 126 2HE2 GLN 17 2HE2 GLN 17 11.078 4.595 -12.405 127 H GLY 18 H GLY 18 15.109 1.562 -12.626 128 1HA GLY 18 2HA GLY 18 14.779 -0.567 -11.813 129 2HA GLY 18 1HA GLY 18 16.031 -0.247 -10.623 130 H TYR 19 H TYR 19 13.013 1.531 -11.100 131 HA TYR 19 HA TYR 19 11.755 0.308 -8.815 132 1HB TYR 19 1HB TYR 19 12.964 3.050 -8.663 133 2HB TYR 19 2HB TYR 19 11.515 2.673 -7.737 134 HD1 TYR 19 1HD TYR 19 11.636 0.584 -6.205 135 HD2 TYR 19 2HD TYR 19 15.059 2.560 -7.780 136 HE1 TYR 19 1HE TYR 19 13.021 -0.417 -4.435 137 HE2 TYR 19 2HE TYR 19 16.453 1.564 -6.016 138 HH TYR 19 HH TYR 19 15.995 0.652 -3.603 139 H LYS 20 H LYS 20 9.609 1.318 -8.362 140 HA LYS 20 HA LYS 20 8.505 2.835 -10.605 141 1HB LYS 20 1HB LYS 20 7.759 0.057 -9.821 142 2HB LYS 20 2HB LYS 20 6.473 1.143 -10.334 143 1HG LYS 20 1HG LYS 20 6.997 0.250 -12.346 144 2HG LYS 20 2HG LYS 20 8.161 1.576 -12.336 145 1HD LYS 20 1HD LYS 20 9.939 0.151 -11.753 146 2HD LYS 20 2HD LYS 20 8.847 -1.150 -11.271 147 1HE LYS 20 1HE LYS 20 9.812 -1.733 -13.380 148 2HE LYS 20 2HE LYS 20 8.118 -1.323 -13.648 149 1HZ LYS 20 1HZ LYS 20 8.652 0.556 -14.779 150 2HZ LYS 20 2HZ LYS 20 10.022 -0.361 -15.158 151 3HZ LYS 20 3HZ LYS 20 10.099 0.809 -13.938 152 H ASN 21 H ASN 21 5.990 3.136 -10.060 153 HA ASN 21 HA ASN 21 5.748 3.776 -7.200 154 1HB ASN 21 1HB ASN 21 5.003 5.589 -9.507 155 2HB ASN 21 2HB ASN 21 4.635 5.907 -7.814 156 1HD2 ASN 21 1HD2 ASN 21 6.840 6.342 -10.285 157 2HD2 ASN 21 2HD2 ASN 21 8.173 6.917 -9.349 158 H VAL 22 H VAL 22 3.951 2.999 -6.320 159 HA VAL 22 HA VAL 22 1.641 2.461 -8.070 160 HB VAL 22 HB VAL 22 2.612 0.730 -5.791 161 1HG1 VAL 22 1HG1 VAL 22 0.420 0.243 -5.635 162 2HG1 VAL 22 2HG1 VAL 22 0.055 0.895 -7.234 163 3HG1 VAL 22 3HG1 VAL 22 0.727 -0.728 -7.074 164 1HG2 VAL 22 1HG2 VAL 22 3.509 0.800 -8.397 165 2HG2 VAL 22 2HG2 VAL 22 3.668 -0.556 -7.281 166 3HG2 VAL 22 3HG2 VAL 22 2.315 -0.498 -8.411 167 H ARG 23 H ARG 23 -0.390 2.837 -7.220 168 HA ARG 23 HA ARG 23 -0.455 4.139 -4.576 169 1HB ARG 23 1HB ARG 23 -1.349 5.087 -7.184 170 2HB ARG 23 2HB ARG 23 -2.628 5.142 -5.978 171 1HG ARG 23 1HG ARG 23 -0.120 6.171 -4.954 172 2HG ARG 23 2HG ARG 23 -0.669 7.040 -6.388 173 1HD ARG 23 1HD ARG 23 -2.839 6.513 -4.541 174 2HD ARG 23 2HD ARG 23 -1.534 7.421 -3.779 175 HE ARG 23 HE ARG 23 -3.317 8.341 -5.847 176 1HH1 ARG 23 2HH1 ARG 23 -0.248 8.801 -4.270 177 2HH1 ARG 23 1HH1 ARG 23 -0.112 10.465 -4.731 178 1HH2 ARG 23 2HH2 ARG 23 -3.151 10.531 -6.461 179 2HH2 ARG 23 1HH2 ARG 23 -1.765 11.449 -5.977 180 H ILE 24 H ILE 24 -2.439 3.944 -3.389 181 HA ILE 24 HA ILE 24 -3.991 1.554 -4.142 182 HB ILE 24 HB ILE 24 -3.612 2.546 -1.323 183 1HG1 ILE 24 1HG1 ILE 24 -1.410 1.986 -2.217 184 2HG1 ILE 24 2HG1 ILE 24 -1.924 0.761 -1.063 185 1HG2 ILE 24 1HG2 ILE 24 -4.623 -0.021 -2.528 186 2HG2 ILE 24 2HG2 ILE 24 -4.234 0.165 -0.818 187 3HG2 ILE 24 3HG2 ILE 24 -5.515 1.138 -1.542 188 1HD1 ILE 24 1HD1 ILE 24 -1.258 -0.662 -2.652 189 2HD1 ILE 24 2HD1 ILE 24 -2.825 -0.305 -3.380 190 3HD1 ILE 24 3HD1 ILE 24 -1.381 0.546 -3.931 191 H THR 25 H THR 25 -6.174 1.666 -4.148 192 HA THR 25 HA THR 25 -7.604 3.789 -2.832 193 HB THR 25 HB THR 25 -7.696 3.694 -5.852 194 HG1 THR 25 1HG THR 25 -5.839 4.750 -5.428 195 1HG2 THR 25 1HG2 THR 25 -9.247 5.112 -3.757 196 2HG2 THR 25 2HG2 THR 25 -9.755 4.527 -5.341 197 3HG2 THR 25 3HG2 THR 25 -8.831 6.022 -5.208 198 H PHE 26 H PHE 26 -8.202 1.532 -2.018 199 HA PHE 26 HA PHE 26 -10.448 0.503 -3.625 200 1HB PHE 26 1HB PHE 26 -8.693 -1.166 -3.532 201 2HB PHE 26 2HB PHE 26 -8.593 -1.014 -1.781 202 HD1 PHE 26 1HD PHE 26 -10.767 -2.120 -4.557 203 HD2 PHE 26 2HD PHE 26 -10.011 -2.247 -0.371 204 HE1 PHE 26 1HE PHE 26 -12.439 -3.908 -4.313 205 HE2 PHE 26 2HE PHE 26 -11.682 -4.035 -0.120 206 HZ PHE 26 HZ PHE 26 -12.898 -4.869 -2.093 207 H GLU 27 H GLU 27 -9.430 -0.119 -0.284 208 HA GLU 27 HA GLU 27 -11.242 1.519 1.037 209 1HB GLU 27 1HB GLU 27 -12.554 -0.615 -0.262 210 2HB GLU 27 2HB GLU 27 -12.539 -1.014 1.450 211 1HG GLU 27 1HG GLU 27 -13.266 1.636 1.437 212 2HG GLU 27 2HG GLU 27 -14.075 0.987 0.012 213 H LEU 28 H LEU 28 -11.239 1.207 3.296 214 HA LEU 28 HA LEU 28 -9.948 -1.082 4.462 215 1HB LEU 28 1HB LEU 28 -8.324 1.040 3.641 216 2HB LEU 28 2HB LEU 28 -8.493 1.229 5.385 217 HG LEU 28 HG LEU 28 -7.796 -1.251 5.502 218 1HD1 LEU 28 1HD1 LEU 28 -7.686 -2.184 3.460 219 2HD1 LEU 28 2HD1 LEU 28 -6.082 -1.452 3.426 220 3HD1 LEU 28 3HD1 LEU 28 -7.440 -0.638 2.648 221 1HD2 LEU 28 1HD2 LEU 28 -6.435 0.675 6.239 222 2HD2 LEU 28 2HD2 LEU 28 -5.778 0.804 4.608 223 3HD2 LEU 28 3HD2 LEU 28 -5.463 -0.638 5.574 224 H ASP 29 H ASP 29 -10.687 2.347 5.098 225 HA ASP 29 HA ASP 29 -12.343 1.507 7.361 226 1HB ASP 29 1HB ASP 29 -9.838 2.390 7.860 227 2HB ASP 29 2HB ASP 29 -10.701 3.925 7.835 228 H GLU 30 H GLU 30 -13.444 3.604 8.299 229 HA GLU 30 HA GLU 30 -14.404 5.165 5.990 230 1HB GLU 30 1HB GLU 30 -15.852 4.048 8.373 231 2HB GLU 30 2HB GLU 30 -16.499 5.429 7.498 232 1HG GLU 30 1HG GLU 30 -15.769 3.377 5.644 233 2HG GLU 30 2HG GLU 30 -16.804 2.705 6.903 234 H ARG 31 H ARG 31 -13.853 5.274 9.497 235 HA ARG 31 HA ARG 31 -14.169 8.112 9.658 236 1HB ARG 31 1HB ARG 31 -14.085 6.019 11.480 237 2HB ARG 31 2HB ARG 31 -12.609 6.917 11.807 238 1HG ARG 31 1HG ARG 31 -14.011 8.038 13.184 239 2HG ARG 31 2HG ARG 31 -14.289 8.968 11.710 240 1HD ARG 31 1HD ARG 31 -16.367 8.075 11.374 241 2HD ARG 31 2HD ARG 31 -15.966 6.561 12.185 242 HE ARG 31 HE ARG 31 -16.010 8.750 14.005 243 1HH1 ARG 31 2HH1 ARG 31 -18.047 6.535 12.254 244 2HH1 ARG 31 1HH1 ARG 31 -19.349 6.626 13.395 245 1HH2 ARG 31 2HH2 ARG 31 -17.716 8.879 15.513 246 2HH2 ARG 31 1HH2 ARG 31 -19.160 7.961 15.247 247 H VAL 32 H VAL 32 -11.533 5.952 9.013 248 HA VAL 32 HA VAL 32 -9.739 8.273 8.783 249 HB VAL 32 HB VAL 32 -7.854 6.904 9.553 250 1HG1 VAL 32 1HG1 VAL 32 -8.489 8.105 11.359 251 2HG1 VAL 32 2HG1 VAL 32 -10.166 7.564 11.265 252 3HG1 VAL 32 3HG1 VAL 32 -8.938 6.518 11.981 253 1HG2 VAL 32 1HG2 VAL 32 -9.986 4.829 10.016 254 2HG2 VAL 32 2HG2 VAL 32 -8.553 4.699 8.995 255 3HG2 VAL 32 3HG2 VAL 32 -8.384 4.757 10.750 256 H ASP 33 H ASP 33 -11.252 7.150 6.699 257 HA ASP 33 HA ASP 33 -9.760 5.256 5.195 258 1HB ASP 33 1HB ASP 33 -12.275 5.999 5.011 259 2HB ASP 33 2HB ASP 33 -11.630 7.197 3.892 260 H LYS 34 H LYS 34 -10.284 8.747 4.669 261 HA LYS 34 HA LYS 34 -8.380 9.011 2.622 262 1HB LYS 34 1HB LYS 34 -8.763 11.302 2.741 263 2HB LYS 34 2HB LYS 34 -10.257 10.632 3.382 264 1HG LYS 34 1HG LYS 34 -7.971 11.593 5.087 265 2HG LYS 34 2HG LYS 34 -9.374 12.572 4.655 266 1HD LYS 34 1HD LYS 34 -9.458 9.953 6.153 267 2HD LYS 34 2HD LYS 34 -9.608 11.555 6.880 268 1HE LYS 34 1HE LYS 34 -11.486 10.260 4.910 269 2HE LYS 34 2HE LYS 34 -11.803 10.619 6.606 270 1HZ LYS 34 1HZ LYS 34 -11.394 12.586 4.422 271 2HZ LYS 34 2HZ LYS 34 -11.531 12.997 6.056 272 3HZ LYS 34 3HZ LYS 34 -12.835 12.278 5.253 273 H VAL 35 H VAL 35 -8.029 8.728 6.023 274 HA VAL 35 HA VAL 35 -5.574 10.086 6.370 275 HB VAL 35 HB VAL 35 -6.726 7.774 7.939 276 1HG1 VAL 35 1HG1 VAL 35 -5.210 8.569 9.742 277 2HG1 VAL 35 2HG1 VAL 35 -4.362 7.899 8.347 278 3HG1 VAL 35 3HG1 VAL 35 -4.449 9.647 8.571 279 1HG2 VAL 35 1HG2 VAL 35 -6.697 10.510 9.035 280 2HG2 VAL 35 2HG2 VAL 35 -7.802 10.234 7.689 281 3HG2 VAL 35 3HG2 VAL 35 -7.929 9.254 9.149 282 H LEU 36 H LEU 36 -6.367 7.079 4.923 283 HA LEU 36 HA LEU 36 -3.516 6.336 4.868 284 1HB LEU 36 1HB LEU 36 -4.064 4.078 4.889 285 2HB LEU 36 2HB LEU 36 -5.169 4.796 6.060 286 HG LEU 36 HG LEU 36 -6.643 4.845 3.746 287 1HD1 LEU 36 1HD1 LEU 36 -5.528 3.507 2.310 288 2HD1 LEU 36 2HD1 LEU 36 -6.322 2.233 3.235 289 3HD1 LEU 36 3HD1 LEU 36 -4.652 2.672 3.594 290 1HD2 LEU 36 1HD2 LEU 36 -7.909 3.040 4.764 291 2HD2 LEU 36 2HD2 LEU 36 -7.392 4.196 5.992 292 3HD2 LEU 36 3HD2 LEU 36 -6.548 2.656 5.819 293 H ASN 37 H ASN 37 -5.617 7.871 3.064 294 HA ASN 37 HA ASN 37 -4.760 6.573 0.560 295 1HB ASN 37 1HB ASN 37 -7.107 6.297 0.637 296 2HB ASN 37 2HB ASN 37 -7.360 7.926 1.257 297 1HD2 ASN 37 1HD2 ASN 37 -8.235 9.213 -0.176 298 2HD2 ASN 37 2HD2 ASN 37 -7.950 9.195 -1.880 299 H GLU 38 H GLU 38 -5.003 9.488 2.405 300 HA GLU 38 HA GLU 38 -3.844 11.013 0.168 301 1HB GLU 38 1HB GLU 38 -4.880 12.937 0.923 302 2HB GLU 38 2HB GLU 38 -6.081 11.715 1.314 303 1HG GLU 38 1HG GLU 38 -4.825 11.669 3.615 304 2HG GLU 38 2HG GLU 38 -4.310 13.280 3.117 305 H LYS 39 H LYS 39 -3.364 9.854 3.375 306 HA LYS 39 HA LYS 39 -0.986 11.534 3.730 307 1HB LYS 39 1HB LYS 39 -1.990 9.613 5.798 308 2HB LYS 39 2HB LYS 39 -1.109 11.119 6.017 309 1HG LYS 39 1HG LYS 39 -3.175 12.307 5.188 310 2HG LYS 39 2HG LYS 39 -4.010 10.758 5.326 311 1HD LYS 39 1HD LYS 39 -4.413 11.302 7.452 312 2HD LYS 39 2HD LYS 39 -2.695 11.030 7.750 313 1HE LYS 39 1HE LYS 39 -2.196 13.275 7.713 314 2HE LYS 39 2HE LYS 39 -3.582 13.675 6.698 315 1HZ LYS 39 1HZ LYS 39 -4.341 12.603 9.245 316 2HZ LYS 39 2HZ LYS 39 -4.853 14.020 8.475 317 3HZ LYS 39 3HZ LYS 39 -3.429 14.021 9.389 318 H CYS 40 H CYS 40 -1.822 8.567 2.508 319 HA CYS 40 HA CYS 40 0.814 7.709 2.132 320 1HB CYS 40 1HB CYS 40 0.186 7.239 4.704 321 2HB CYS 40 2HB CYS 40 -0.449 5.764 3.985 322 HG CYS 40 HG CYS 40 2.369 5.883 2.609 323 H SER 41 H SER 41 -0.152 7.527 0.059 324 HA SER 41 HA SER 41 -1.736 5.065 -0.274 325 1HB SER 41 1HB SER 41 -2.663 6.288 -2.364 326 2HB SER 41 2HB SER 41 -3.299 6.739 -0.782 327 HG SER 41 HG SER 41 -2.742 8.565 -2.056 328 H VAL 42 H VAL 42 0.682 7.243 -1.608 329 HA VAL 42 HA VAL 42 1.299 5.417 -3.783 330 HB VAL 42 HB VAL 42 1.398 7.754 -4.327 331 1HG1 VAL 42 1HG1 VAL 42 3.103 9.228 -3.225 332 2HG1 VAL 42 2HG1 VAL 42 1.749 8.757 -2.195 333 3HG1 VAL 42 3HG1 VAL 42 3.315 7.964 -2.014 334 1HG2 VAL 42 1HG2 VAL 42 3.658 7.927 -5.209 335 2HG2 VAL 42 2HG2 VAL 42 4.202 6.658 -4.110 336 3HG2 VAL 42 3HG2 VAL 42 3.051 6.281 -5.392 337 H TYR 43 H TYR 43 3.004 4.061 -3.873 338 HA TYR 43 HA TYR 43 5.086 4.233 -1.828 339 1HB TYR 43 1HB TYR 43 3.569 1.679 -2.397 340 2HB TYR 43 2HB TYR 43 4.899 1.873 -1.260 341 HD1 TYR 43 1HD TYR 43 4.511 2.618 0.947 342 HD2 TYR 43 2HD TYR 43 1.392 2.858 -1.937 343 HE1 TYR 43 1HE TYR 43 2.911 3.165 2.733 344 HE2 TYR 43 2HE TYR 43 -0.217 3.407 -0.159 345 HH TYR 43 HH TYR 43 -0.536 3.642 2.027 346 H THR 44 H THR 44 7.043 3.228 -2.393 347 HA THR 44 HA THR 44 7.483 3.056 -5.241 348 HB THR 44 HB THR 44 9.681 2.310 -3.406 349 HG1 THR 44 1HG THR 44 8.417 4.857 -3.369 350 1HG2 THR 44 1HG2 THR 44 10.144 2.626 -5.745 351 2HG2 THR 44 2HG2 THR 44 10.884 3.954 -4.851 352 3HG2 THR 44 3HG2 THR 44 9.378 4.213 -5.729 353 H VAL 45 H VAL 45 8.269 1.267 -6.372 354 HA VAL 45 HA VAL 45 8.282 -1.311 -4.980 355 HB VAL 45 HB VAL 45 6.074 -1.324 -5.808 356 1HG1 VAL 45 1HG1 VAL 45 6.153 -0.936 -8.557 357 2HG1 VAL 45 2HG1 VAL 45 5.523 0.186 -7.349 358 3HG1 VAL 45 3HG1 VAL 45 7.192 0.329 -7.902 359 1HG2 VAL 45 1HG2 VAL 45 7.667 -2.693 -7.968 360 2HG2 VAL 45 2HG2 VAL 45 7.481 -3.333 -6.335 361 3HG2 VAL 45 3HG2 VAL 45 6.066 -3.129 -7.368 362 H GLU 46 H GLU 46 10.226 -2.132 -5.365 363 HA GLU 46 HA GLU 46 11.937 -1.335 -7.443 364 1HB GLU 46 1HB GLU 46 12.275 -2.729 -5.153 365 2HB GLU 46 2HB GLU 46 12.332 -4.043 -6.320 366 1HG GLU 46 1HG GLU 46 13.954 -1.762 -7.106 367 2HG GLU 46 2HG GLU 46 14.438 -2.457 -5.560 368 H SER 47 H SER 47 12.930 -2.967 -9.011 369 HA SER 47 HA SER 47 10.824 -3.903 -10.726 370 1HB SER 47 1HB SER 47 13.158 -2.853 -11.341 371 2HB SER 47 2HB SER 47 13.710 -4.525 -11.232 372 HG SER 47 HG SER 47 12.980 -4.668 -13.194 373 H GLY 48 H GLY 48 12.385 -5.237 -8.112 374 1HA GLY 48 2HA GLY 48 12.056 -7.983 -9.145 375 2HA GLY 48 1HA GLY 48 13.144 -7.534 -7.840 376 H THR 49 H THR 49 10.885 -5.705 -6.855 377 HA THR 49 HA THR 49 9.945 -7.271 -4.791 378 HB THR 49 HB THR 49 8.116 -5.155 -5.817 379 HG1 THR 49 1HG THR 49 10.795 -4.737 -4.969 380 1HG2 THR 49 1HG2 THR 49 8.459 -4.493 -3.321 381 2HG2 THR 49 2HG2 THR 49 9.148 -6.110 -3.174 382 3HG2 THR 49 3HG2 THR 49 7.483 -5.906 -3.716 383 H GLU 50 H GLU 50 8.186 -8.554 -4.430 384 HA GLU 50 HA GLU 50 6.719 -9.413 -6.816 385 1HB GLU 50 1HB GLU 50 6.666 -10.784 -4.138 386 2HB GLU 50 2HB GLU 50 6.305 -11.461 -5.720 387 1HG GLU 50 1HG GLU 50 8.371 -12.248 -5.753 388 2HG GLU 50 2HG GLU 50 8.929 -10.585 -5.928 389 H VAL 51 H VAL 51 4.406 -10.139 -6.370 390 HA VAL 51 HA VAL 51 2.918 -7.890 -5.481 391 HB VAL 51 HB VAL 51 1.758 -10.630 -5.930 392 1HG1 VAL 51 1HG1 VAL 51 0.694 -7.837 -6.334 393 2HG1 VAL 51 2HG1 VAL 51 -0.166 -9.320 -6.752 394 3HG1 VAL 51 3HG1 VAL 51 0.225 -8.971 -5.067 395 1HG2 VAL 51 1HG2 VAL 51 1.514 -9.919 -8.327 396 2HG2 VAL 51 2HG2 VAL 51 2.654 -8.617 -7.984 397 3HG2 VAL 51 3HG2 VAL 51 3.161 -10.298 -7.823 398 H THR 52 H THR 52 4.286 -10.488 -3.823 399 HA THR 52 HA THR 52 2.319 -10.439 -1.663 400 HB THR 52 HB THR 52 3.068 -12.643 -2.244 401 HG1 THR 52 1HG THR 52 3.299 -13.196 -0.204 402 1HG2 THR 52 1HG2 THR 52 5.471 -13.277 -1.999 403 2HG2 THR 52 2HG2 THR 52 5.856 -11.565 -1.823 404 3HG2 THR 52 3HG2 THR 52 5.159 -12.162 -3.329 405 H GLU 53 H GLU 53 5.508 -9.300 -2.447 406 HA GLU 53 HA GLU 53 6.499 -8.824 0.132 407 1HB GLU 53 1HB GLU 53 7.540 -8.569 -2.327 408 2HB GLU 53 2HB GLU 53 7.166 -6.881 -2.012 409 1HG GLU 53 1HG GLU 53 8.674 -6.725 -0.284 410 2HG GLU 53 2HG GLU 53 8.649 -8.458 0.036 411 H PHE 54 H PHE 54 4.407 -6.911 -1.957 412 HA PHE 54 HA PHE 54 4.441 -4.542 -0.422 413 1HB PHE 54 1HB PHE 54 2.098 -5.449 -2.084 414 2HB PHE 54 2HB PHE 54 2.645 -3.805 -1.772 415 HD1 PHE 54 1HD PHE 54 2.362 -6.085 -4.260 416 HD2 PHE 54 2HD PHE 54 5.326 -3.611 -2.469 417 HE1 PHE 54 1HE PHE 54 3.656 -6.126 -6.352 418 HE2 PHE 54 2HE PHE 54 6.625 -3.647 -4.558 419 HZ PHE 54 HZ PHE 54 5.790 -4.906 -6.504 420 H ALA 55 H ALA 55 2.648 -7.519 -0.158 421 HA ALA 55 HA ALA 55 0.524 -6.706 1.453 422 1HB ALA 55 1HB ALA 55 1.424 -9.287 2.287 423 2HB ALA 55 2HB ALA 55 0.024 -8.861 1.302 424 3HB ALA 55 3HB ALA 55 1.586 -9.148 0.536 425 H CYS 56 H CYS 56 3.881 -7.081 2.192 426 HA CYS 56 HA CYS 56 3.311 -6.740 5.060 427 1HB CYS 56 1HB CYS 56 5.292 -8.303 3.593 428 2HB CYS 56 2HB CYS 56 6.015 -7.301 4.845 429 HG CYS 56 HG CYS 56 4.998 -8.534 6.948 430 H VAL 57 H VAL 57 3.669 -4.805 2.630 431 HA VAL 57 HA VAL 57 5.557 -2.999 3.997 432 HB VAL 57 HB VAL 57 4.965 -3.143 1.037 433 1HG1 VAL 57 1HG1 VAL 57 5.350 -0.856 1.720 434 2HG1 VAL 57 2HG1 VAL 57 6.809 -1.331 2.592 435 3HG1 VAL 57 3HG1 VAL 57 6.752 -1.453 0.833 436 1HG2 VAL 57 1HG2 VAL 57 7.724 -3.473 1.873 437 2HG2 VAL 57 2HG2 VAL 57 6.671 -4.717 2.546 438 3HG2 VAL 57 3HG2 VAL 57 6.742 -4.472 0.801 439 H VAL 58 H VAL 58 2.474 -3.357 2.387 440 HA VAL 58 HA VAL 58 1.825 -0.538 2.798 441 HB VAL 58 HB VAL 58 0.019 -2.639 1.612 442 1HG1 VAL 58 1HG1 VAL 58 0.018 0.327 1.809 443 2HG1 VAL 58 2HG1 VAL 58 -0.663 -0.415 0.360 444 3HG1 VAL 58 3HG1 VAL 58 -1.317 -0.817 1.949 445 1HG2 VAL 58 1HG2 VAL 58 0.977 -1.276 -0.533 446 2HG2 VAL 58 2HG2 VAL 58 2.415 -1.369 0.485 447 3HG2 VAL 58 3HG2 VAL 58 1.578 -2.845 0.004 448 H ALA 59 H ALA 59 1.715 -3.322 4.568 449 HA ALA 59 HA ALA 59 -0.704 -2.494 6.030 450 1HB ALA 59 1HB ALA 59 -0.159 -4.951 5.009 451 2HB ALA 59 2HB ALA 59 0.428 -5.124 6.664 452 3HB ALA 59 3HB ALA 59 -1.243 -4.646 6.367 453 H GLU 60 H GLU 60 2.536 -2.144 6.136 454 HA GLU 60 HA GLU 60 2.698 -2.370 9.063 455 1HB GLU 60 1HB GLU 60 5.126 -2.315 8.788 456 2HB GLU 60 2HB GLU 60 4.416 -3.609 7.832 457 1HG GLU 60 1HG GLU 60 5.695 -2.816 6.188 458 2HG GLU 60 2HG GLU 60 4.452 -1.576 6.033 459 H ALA 61 H ALA 61 3.135 -0.174 6.354 460 HA ALA 61 HA ALA 61 3.993 2.019 8.016 461 1HB ALA 61 1HB ALA 61 4.337 1.463 5.396 462 2HB ALA 61 2HB ALA 61 3.002 2.613 5.310 463 3HB ALA 61 3HB ALA 61 4.513 3.072 6.096 464 H VAL 62 H VAL 62 0.996 0.866 6.628 465 HA VAL 62 HA VAL 62 -0.541 3.206 6.965 466 HB VAL 62 HB VAL 62 -2.508 1.620 6.966 467 1HG1 VAL 62 1HG1 VAL 62 -1.924 2.547 4.894 468 2HG1 VAL 62 2HG1 VAL 62 -0.437 1.601 4.791 469 3HG1 VAL 62 3HG1 VAL 62 -2.003 0.811 4.596 470 1HG2 VAL 62 1HG2 VAL 62 -0.390 -0.468 6.470 471 2HG2 VAL 62 2HG2 VAL 62 -1.263 -0.278 7.991 472 3HG2 VAL 62 3HG2 VAL 62 -2.137 -0.710 6.521 473 H VAL 63 H VAL 63 0.340 0.610 9.142 474 HA VAL 63 HA VAL 63 -1.537 1.011 11.168 475 HB VAL 63 HB VAL 63 1.336 0.108 11.406 476 1HG1 VAL 63 1HG1 VAL 63 -0.595 0.729 13.430 477 2HG1 VAL 63 2HG1 VAL 63 -0.239 -0.999 13.453 478 3HG1 VAL 63 3HG1 VAL 63 1.069 0.174 13.609 479 1HG2 VAL 63 1HG2 VAL 63 0.499 -2.115 11.298 480 2HG2 VAL 63 2HG2 VAL 63 -1.173 -1.559 11.381 481 3HG2 VAL 63 3HG2 VAL 63 -0.206 -1.235 9.942 482 H LYS 64 H LYS 64 1.863 2.061 11.364 483 HA LYS 64 HA LYS 64 1.526 3.839 13.469 484 1HB LYS 64 1HB LYS 64 3.642 4.911 12.614 485 2HB LYS 64 2HB LYS 64 3.733 3.173 12.871 486 1HG LYS 64 1HG LYS 64 2.910 3.563 10.204 487 2HG LYS 64 2HG LYS 64 4.252 4.670 10.503 488 1HD LYS 64 1HD LYS 64 4.271 1.708 11.083 489 2HD LYS 64 2HD LYS 64 5.010 2.476 9.676 490 1HE LYS 64 1HE LYS 64 5.951 3.850 11.953 491 2HE LYS 64 2HE LYS 64 6.070 2.128 12.311 492 1HZ LYS 64 1HZ LYS 64 7.079 3.262 9.774 493 2HZ LYS 64 2HZ LYS 64 7.459 1.776 10.485 494 3HZ LYS 64 3HZ LYS 64 8.037 3.211 11.167 495 H THR 65 H THR 65 0.919 4.257 10.061 496 HA THR 65 HA THR 65 0.724 7.110 10.137 497 HB THR 65 HB THR 65 -0.300 5.133 8.091 498 HG1 THR 65 1HG THR 65 1.582 5.671 6.993 499 1HG2 THR 65 1HG2 THR 65 -0.403 8.104 8.248 500 2HG2 THR 65 2HG2 THR 65 -1.558 6.969 7.550 501 3HG2 THR 65 3HG2 THR 65 -0.075 7.364 6.682 502 H LEU 66 H LEU 66 -1.413 4.485 10.834 503 HA LEU 66 HA LEU 66 -3.633 6.398 11.150 504 1HB LEU 66 1HB LEU 66 -3.616 3.555 10.208 505 2HB LEU 66 2HB LEU 66 -5.062 4.256 10.931 506 HG LEU 66 HG LEU 66 -4.743 6.098 9.111 507 1HD1 LEU 66 1HD1 LEU 66 -2.505 5.092 8.449 508 2HD1 LEU 66 2HD1 LEU 66 -3.629 5.464 7.142 509 3HD1 LEU 66 3HD1 LEU 66 -3.433 3.799 7.689 510 1HD2 LEU 66 1HD2 LEU 66 -6.450 5.114 8.006 511 2HD2 LEU 66 2HD2 LEU 66 -6.410 4.013 9.383 512 3HD2 LEU 66 3HD2 LEU 66 -5.618 3.565 7.871 513 H GLN 67 H GLN 67 -2.045 6.340 13.235 514 HA GLN 67 HA GLN 67 -3.438 4.621 15.177 515 1HB GLN 67 1HB GLN 67 -0.516 5.136 14.835 516 2HB GLN 67 2HB GLN 67 -1.144 4.892 16.459 517 1HG GLN 67 1HG GLN 67 -2.226 2.854 14.838 518 2HG GLN 67 2HG GLN 67 -0.505 2.959 14.471 519 1HE2 GLN 67 1HE2 GLN 67 0.999 2.706 16.188 520 2HE2 GLN 67 2HE2 GLN 67 0.571 1.823 17.610 521 HA PRO 68 HA PRO 68 -3.227 9.295 16.218 522 1HB PRO 68 1HB PRO 68 -5.697 10.050 15.381 523 2HB PRO 68 2HB PRO 68 -4.265 10.138 14.349 524 1HG PRO 68 1HG PRO 68 -6.409 8.052 14.438 525 2HG PRO 68 2HG PRO 68 -5.633 8.799 13.030 526 1HD PRO 68 1HD PRO 68 -4.941 6.346 13.945 527 2HD PRO 68 2HD PRO 68 -3.775 7.443 13.178 528 H VAL 69 H VAL 69 -6.171 7.276 16.209 529 HA VAL 69 HA VAL 69 -6.278 7.374 19.103 530 HB VAL 69 HB VAL 69 -8.730 8.077 19.018 531 1HG1 VAL 69 1HG1 VAL 69 -6.514 9.463 19.573 532 2HG1 VAL 69 2HG1 VAL 69 -7.108 10.418 18.213 533 3HG1 VAL 69 3HG1 VAL 69 -8.127 10.175 19.632 534 1HG2 VAL 69 1HG2 VAL 69 -9.498 9.360 17.170 535 2HG2 VAL 69 2HG2 VAL 69 -7.909 9.335 16.407 536 3HG2 VAL 69 3HG2 VAL 69 -8.858 7.853 16.515 537 H SER 70 H SER 70 -5.761 5.115 18.101 538 HA SER 70 HA SER 70 -7.959 3.629 17.044 539 1HB SER 70 1HB SER 70 -6.307 1.686 17.885 540 2HB SER 70 2HB SER 70 -6.021 2.598 16.403 541 HG SER 70 HG SER 70 -4.456 2.423 18.518 542 H ASP 71 H ASP 71 -7.288 4.761 20.104 543 HA ASP 71 HA ASP 71 -8.131 2.574 21.705 544 1HB ASP 71 1HB ASP 71 -8.342 5.496 22.435 545 2HB ASP 71 2HB ASP 71 -8.180 4.122 23.525 546 H LEU 72 H LEU 72 -9.813 4.681 19.660 547 HA LEU 72 HA LEU 72 -12.349 4.289 21.077 548 1HB LEU 72 1HB LEU 72 -13.248 6.026 19.767 549 2HB LEU 72 2HB LEU 72 -11.644 6.563 20.261 550 HG LEU 72 HG LEU 72 -11.009 5.551 17.879 551 1HD1 LEU 72 1HD1 LEU 72 -12.869 6.309 16.310 552 2HD1 LEU 72 2HD1 LEU 72 -13.929 6.226 17.717 553 3HD1 LEU 72 3HD1 LEU 72 -13.098 4.777 17.153 554 1HD2 LEU 72 1HD2 LEU 72 -10.997 7.773 17.044 555 2HD2 LEU 72 2HD2 LEU 72 -10.699 7.878 18.779 556 3HD2 LEU 72 3HD2 LEU 72 -12.296 8.261 18.133 557 H LEU 73 H LEU 73 -10.577 3.278 18.288 558 HA LEU 73 HA LEU 73 -12.829 2.254 16.837 559 1HB LEU 73 1HB LEU 73 -10.004 1.340 16.450 560 2HB LEU 73 2HB LEU 73 -11.295 1.483 15.259 561 HG LEU 73 HG LEU 73 -9.888 3.816 16.554 562 1HD1 LEU 73 1HD1 LEU 73 -8.749 4.093 14.427 563 2HD1 LEU 73 2HD1 LEU 73 -9.527 2.639 13.802 564 3HD1 LEU 73 3HD1 LEU 73 -8.374 2.520 15.131 565 1HD2 LEU 73 1HD2 LEU 73 -11.188 5.204 15.304 566 2HD2 LEU 73 2HD2 LEU 73 -12.338 3.886 15.537 567 3HD2 LEU 73 3HD2 LEU 73 -11.433 4.011 14.028 568 H THR 74 H THR 74 -10.651 1.050 19.266 569 HA THR 74 HA THR 74 -10.982 -1.706 18.909 570 HB THR 74 HB THR 74 -10.829 -0.960 21.719 571 HG1 THR 74 1HG THR 74 -9.737 0.836 21.357 572 1HG2 THR 74 1HG2 THR 74 -9.889 -3.000 21.371 573 2HG2 THR 74 2HG2 THR 74 -8.439 -2.027 21.123 574 3HG2 THR 74 3HG2 THR 74 -9.365 -2.599 19.736 575 H ASN 75 H ASN 75 -13.135 0.687 20.144 576 HA ASN 75 HA ASN 75 -14.891 -1.348 21.313 577 1HB ASN 75 1HB ASN 75 -16.127 0.516 22.289 578 2HB ASN 75 2HB ASN 75 -14.413 0.665 22.664 579 1HD2 ASN 75 1HD2 ASN 75 -13.697 2.651 22.527 580 2HD2 ASN 75 2HD2 ASN 75 -14.247 3.865 21.428 581 H MET 76 H MET 76 -14.511 0.619 18.533 582 HA MET 76 HA MET 76 -17.288 0.594 17.762 583 1HB MET 76 1HB MET 76 -14.818 1.804 16.801 584 2HB MET 76 2HB MET 76 -15.810 1.183 15.489 585 1HG MET 76 1HG MET 76 -17.725 2.448 16.737 586 2HG MET 76 2HG MET 76 -16.387 3.355 17.439 587 1HE MET 76 1HE MET 76 -14.497 2.957 14.382 588 2HE MET 76 2HE MET 76 -14.603 4.711 14.238 589 3HE MET 76 3HE MET 76 -14.349 3.969 15.819 590 H GLY 77 H GLY 77 -14.493 -1.410 17.289 591 1HA GLY 77 2HA GLY 77 -15.064 -3.761 16.731 592 2HA GLY 77 1HA GLY 77 -16.074 -3.103 15.453 593 H ILE 78 H ILE 78 -13.118 -1.469 15.978 594 HA ILE 78 HA ILE 78 -11.851 -2.945 13.768 595 HB ILE 78 HB ILE 78 -12.010 0.051 14.093 596 1HG1 ILE 78 1HG1 ILE 78 -12.815 -1.697 11.763 597 2HG1 ILE 78 2HG1 ILE 78 -13.935 -1.166 13.013 598 1HG2 ILE 78 1HG2 ILE 78 -10.667 -0.014 11.904 599 2HG2 ILE 78 2HG2 ILE 78 -9.804 -0.280 13.418 600 3HG2 ILE 78 3HG2 ILE 78 -10.224 -1.650 12.390 601 1HD1 ILE 78 1HD1 ILE 78 -12.863 0.272 10.718 602 2HD1 ILE 78 2HD1 ILE 78 -14.336 0.546 11.649 603 3HD1 ILE 78 3HD1 ILE 78 -12.796 1.185 12.225 604 H ASP 79 H ASP 79 -10.087 -3.870 14.566 605 HA ASP 79 HA ASP 79 -8.634 -2.615 16.760 606 1HB ASP 79 1HB ASP 79 -9.169 -5.282 16.027 607 2HB ASP 79 2HB ASP 79 -7.434 -5.060 15.815 608 H LEU 80 H LEU 80 -6.654 -1.720 16.595 609 HA LEU 80 HA LEU 80 -5.590 -1.327 13.913 610 1HB LEU 80 1HB LEU 80 -5.891 0.385 15.959 611 2HB LEU 80 2HB LEU 80 -4.237 -0.143 16.260 612 HG LEU 80 HG LEU 80 -4.391 1.958 14.959 613 1HD1 LEU 80 1HD1 LEU 80 -2.684 1.409 13.418 614 2HD1 LEU 80 2HD1 LEU 80 -3.232 -0.262 13.294 615 3HD1 LEU 80 3HD1 LEU 80 -2.488 0.312 14.786 616 1HD2 LEU 80 1HD2 LEU 80 -5.234 2.010 12.751 617 2HD2 LEU 80 2HD2 LEU 80 -6.482 1.244 13.734 618 3HD2 LEU 80 3HD2 LEU 80 -5.439 0.259 12.708 619 H ASP 81 H ASP 81 -4.735 -2.854 16.951 620 HA ASP 81 HA ASP 81 -2.026 -3.398 16.322 621 1HB ASP 81 1HB ASP 81 -3.925 -4.109 18.430 622 2HB ASP 81 2HB ASP 81 -2.783 -5.400 18.066 623 H GLU 82 H GLU 82 -5.007 -4.862 15.396 624 HA GLU 82 HA GLU 82 -3.887 -7.409 14.679 625 1HB GLU 82 1HB GLU 82 -6.031 -8.026 14.045 626 2HB GLU 82 2HB GLU 82 -6.346 -6.823 15.287 627 1HG GLU 82 1HG GLU 82 -6.470 -5.153 13.335 628 2HG GLU 82 2HG GLU 82 -6.640 -6.585 12.321 629 H TRP 83 H TRP 83 -4.447 -4.352 13.101 630 HA TRP 83 HA TRP 83 -4.360 -5.088 10.429 631 1HB TRP 83 1HB TRP 83 -3.482 -2.616 11.894 632 2HB TRP 83 2HB TRP 83 -3.227 -2.763 10.157 633 HD1 TRP 83 HD TRP 83 -6.407 -4.299 11.503 634 HE1 TRP 83 1HE TRP 83 -8.417 -2.863 10.782 635 HE3 TRP 83 3HE TRP 83 -3.891 -0.253 9.648 636 HZ2 TRP 83 2HZ TRP 83 -8.876 -0.348 9.584 637 HZ3 TRP 83 3HZ TRP 83 -5.190 1.625 8.733 638 HH2 TRP 83 HH TRP 83 -7.630 1.576 8.701 639 H SER 84 H SER 84 -1.817 -4.984 12.788 640 HA SER 84 HA SER 84 0.297 -5.153 10.816 641 1HB SER 84 1HB SER 84 1.714 -4.661 12.518 642 2HB SER 84 2HB SER 84 0.239 -4.192 13.362 643 HG SER 84 HG SER 84 0.227 -6.123 14.419 644 H VAL 85 H VAL 85 -1.644 -7.290 12.722 645 HA VAL 85 HA VAL 85 -0.009 -9.572 11.820 646 HB VAL 85 HB VAL 85 -0.884 -10.851 13.709 647 1HG1 VAL 85 1HG1 VAL 85 0.340 -9.743 15.484 648 2HG1 VAL 85 2HG1 VAL 85 1.208 -9.577 13.957 649 3HG1 VAL 85 3HG1 VAL 85 0.286 -8.218 14.601 650 1HG2 VAL 85 1HG2 VAL 85 -2.672 -10.230 14.876 651 2HG2 VAL 85 2HG2 VAL 85 -1.935 -8.680 15.280 652 3HG2 VAL 85 3HG2 VAL 85 -2.846 -8.858 13.781 653 H ALA 86 H ALA 86 -1.932 -8.395 10.149 654 HA ALA 86 HA ALA 86 -4.036 -10.462 10.126 655 1HB ALA 86 1HB ALA 86 -5.400 -8.683 10.308 656 2HB ALA 86 2HB ALA 86 -4.172 -7.551 9.740 657 3HB ALA 86 3HB ALA 86 -5.091 -8.510 8.580 658 H THR 87 H THR 87 -5.027 -10.457 7.734 659 HA THR 87 HA THR 87 -2.740 -11.007 5.972 660 HB THR 87 HB THR 87 -5.555 -11.961 5.494 661 HG1 THR 87 1HG THR 87 -3.567 -13.483 6.830 662 1HG2 THR 87 1HG2 THR 87 -4.469 -13.683 4.189 663 2HG2 THR 87 2HG2 THR 87 -2.880 -13.110 4.694 664 3HG2 THR 87 3HG2 THR 87 -3.892 -12.104 3.658 665 H PHE 88 H PHE 88 -2.327 -9.179 4.853 666 HA PHE 88 HA PHE 88 -4.545 -7.668 3.699 667 1HB PHE 88 1HB PHE 88 -1.688 -7.104 4.294 668 2HB PHE 88 2HB PHE 88 -2.398 -6.268 2.917 669 HD1 PHE 88 1HD PHE 88 -3.906 -7.209 6.184 670 HD2 PHE 88 2HD PHE 88 -2.669 -4.072 3.586 671 HE1 PHE 88 1HE PHE 88 -4.905 -5.557 7.709 672 HE2 PHE 88 2HE PHE 88 -3.665 -2.415 5.108 673 HZ PHE 88 HZ PHE 88 -4.784 -3.156 7.173 674 H TYR 89 H TYR 89 -5.116 -7.820 1.630 675 HA TYR 89 HA TYR 89 -3.316 -9.268 -0.199 676 1HB TYR 89 1HB TYR 89 -6.333 -9.109 -0.135 677 2HB TYR 89 2HB TYR 89 -5.426 -9.798 -1.478 678 HD1 TYR 89 1HD TYR 89 -6.627 -10.314 1.911 679 HD2 TYR 89 2HD TYR 89 -4.131 -11.880 -1.158 680 HE1 TYR 89 1HE TYR 89 -6.575 -12.483 3.069 681 HE2 TYR 89 2HE TYR 89 -4.073 -14.054 -0.009 682 HH TYR 89 HH TYR 89 -4.684 -15.204 1.789 683 H LEU 90 H LEU 90 -3.820 -8.707 -2.575 684 HA LEU 90 HA LEU 90 -4.466 -5.877 -2.930 685 1HB LEU 90 1HB LEU 90 -1.955 -7.127 -4.030 686 2HB LEU 90 2HB LEU 90 -2.478 -5.456 -4.231 687 HG LEU 90 HG LEU 90 -2.302 -5.940 -1.452 688 1HD1 LEU 90 1HD1 LEU 90 -0.173 -7.258 -3.045 689 2HD1 LEU 90 2HD1 LEU 90 -0.844 -7.688 -1.472 690 3HD1 LEU 90 3HD1 LEU 90 0.305 -6.357 -1.606 691 1HD2 LEU 90 1HD2 LEU 90 -0.247 -4.479 -3.070 692 2HD2 LEU 90 2HD2 LEU 90 -0.903 -4.084 -1.481 693 3HD2 LEU 90 3HD2 LEU 90 -1.893 -3.863 -2.924 694 H PHE 91 H PHE 91 -4.594 -5.307 -5.293 695 HA PHE 91 HA PHE 91 -4.946 -7.437 -7.180 696 1HB PHE 91 1HB PHE 91 -7.245 -6.413 -5.678 697 2HB PHE 91 2HB PHE 91 -7.458 -6.334 -7.424 698 HD1 PHE 91 1HD PHE 91 -6.582 -8.585 -8.643 699 HD2 PHE 91 2HD PHE 91 -8.036 -8.295 -4.653 700 HE1 PHE 91 1HE PHE 91 -7.157 -10.977 -8.682 701 HE2 PHE 91 2HE PHE 91 -8.612 -10.686 -4.685 702 HZ PHE 91 HZ PHE 91 -8.172 -12.031 -6.701 703 H ASP 92 H ASP 92 -6.184 -6.422 -9.205 704 HA ASP 92 HA ASP 92 -5.223 -3.666 -9.577 705 1HB ASP 92 1HB ASP 92 -4.863 -5.983 -11.487 706 2HB ASP 92 2HB ASP 92 -4.543 -4.300 -11.896 707 H ASP 93 H ASP 93 -6.096 -2.889 -11.860 708 HA ASP 93 HA ASP 93 -8.909 -2.758 -11.610 709 1HB ASP 93 1HB ASP 93 -7.539 -0.950 -12.596 710 2HB ASP 93 2HB ASP 93 -7.187 -1.987 -13.976 711 H ALA 94 H ALA 94 -6.890 -5.078 -13.015 712 HA ALA 94 HA ALA 94 -8.974 -6.032 -14.843 713 1HB ALA 94 1HB ALA 94 -6.210 -7.177 -14.562 714 2HB ALA 94 2HB ALA 94 -7.327 -7.320 -15.921 715 3HB ALA 94 3HB ALA 94 -6.555 -5.773 -15.573 716 H GLY 95 H GLY 95 -8.390 -6.341 -11.700 717 1HA GLY 95 2HA GLY 95 -9.140 -7.860 -10.141 718 2HA GLY 95 1HA GLY 95 -9.833 -8.788 -11.463 719 H GLU 96 H GLU 96 -6.439 -7.950 -11.307 720 HA GLU 96 HA GLU 96 -5.803 -10.725 -10.569 721 1HB GLU 96 1HB GLU 96 -4.088 -10.834 -12.274 722 2HB GLU 96 2HB GLU 96 -5.633 -10.453 -13.021 723 1HG GLU 96 1HG GLU 96 -5.015 -8.131 -13.218 724 2HG GLU 96 2HG GLU 96 -3.506 -8.431 -12.357 725 H GLU 97 H GLU 97 -3.689 -11.034 -9.662 726 HA GLU 97 HA GLU 97 -2.894 -8.819 -7.999 727 1HB GLU 97 1HB GLU 97 -2.593 -11.690 -7.975 728 2HB GLU 97 2HB GLU 97 -1.044 -10.910 -7.688 729 1HG GLU 97 1HG GLU 97 -1.944 -9.693 -5.821 730 2HG GLU 97 2HG GLU 97 -3.561 -10.311 -6.153 731 H ASN 98 H ASN 98 -2.062 -7.324 -9.501 732 HA ASN 98 HA ASN 98 0.611 -8.030 -10.512 733 1HB ASN 98 1HB ASN 98 -1.666 -6.718 -11.932 734 2HB ASN 98 2HB ASN 98 -0.026 -6.210 -12.326 735 1HD2 ASN 98 1HD2 ASN 98 -1.825 -9.222 -11.780 736 2HD2 ASN 98 2HD2 ASN 98 -1.144 -10.069 -13.123 737 H PHE 99 H PHE 99 1.849 -5.940 -11.100 738 HA PHE 99 HA PHE 99 1.396 -3.972 -8.954 739 1HB PHE 99 1HB PHE 99 3.974 -3.606 -9.326 740 2HB PHE 99 2HB PHE 99 3.400 -4.929 -8.317 741 HD1 PHE 99 1HD PHE 99 4.542 -4.112 -11.748 742 HD2 PHE 99 2HD PHE 99 3.975 -7.133 -8.805 743 HE1 PHE 99 1HE PHE 99 5.768 -5.711 -13.159 744 HE2 PHE 99 2HE PHE 99 5.201 -8.737 -10.210 745 HZ PHE 99 HZ PHE 99 6.101 -8.027 -12.390 746 H SER 100 H SER 100 0.019 -3.390 -11.107 747 HA SER 100 HA SER 100 1.519 -1.898 -13.056 748 1HB SER 100 1HB SER 100 -1.387 -1.411 -12.846 749 2HB SER 100 2HB SER 100 -0.413 -1.843 -14.251 750 HG SER 100 HG SER 100 -1.218 -3.759 -13.984 751 H SER 101 H SER 101 -0.051 0.348 -13.448 752 HA SER 101 HA SER 101 1.149 2.283 -11.938 753 1HB SER 101 1HB SER 101 -1.086 2.165 -13.771 754 2HB SER 101 2HB SER 101 -1.397 3.334 -12.488 755 HG SER 101 HG SER 101 1.051 3.276 -13.899 756 H ARG 102 H ARG 102 -2.129 0.993 -11.376 757 HA ARG 102 HA ARG 102 -1.837 1.762 -8.548 758 1HB ARG 102 1HB ARG 102 -4.012 2.582 -8.439 759 2HB ARG 102 2HB ARG 102 -3.464 3.152 -10.010 760 1HG ARG 102 1HG ARG 102 -4.617 1.262 -11.077 761 2HG ARG 102 2HG ARG 102 -5.202 0.748 -9.493 762 1HD ARG 102 1HD ARG 102 -6.476 2.755 -9.238 763 2HD ARG 102 2HD ARG 102 -5.745 3.463 -10.678 764 HE ARG 102 HE ARG 102 -7.916 1.572 -10.579 765 1HH1 ARG 102 2HH1 ARG 102 -5.369 2.938 -12.520 766 2HH1 ARG 102 1HH1 ARG 102 -6.126 2.540 -14.027 767 1HH2 ARG 102 2HH2 ARG 102 -8.923 1.044 -12.556 768 2HH2 ARG 102 1HH2 ARG 102 -8.149 1.464 -14.046 769 H MET 103 H MET 103 -3.069 0.465 -7.037 770 HA MET 103 HA MET 103 -4.073 -2.088 -8.016 771 1HB MET 103 1HB MET 103 -2.629 -3.447 -6.725 772 2HB MET 103 2HB MET 103 -1.585 -2.308 -7.564 773 1HG MET 103 1HG MET 103 -1.668 -0.907 -5.450 774 2HG MET 103 2HG MET 103 -2.385 -2.318 -4.675 775 1HE MET 103 1HE MET 103 -1.393 -4.610 -5.675 776 2HE MET 103 2HE MET 103 -0.005 -4.477 -6.756 777 3HE MET 103 3HE MET 103 0.220 -5.030 -5.095 778 H TYR 104 H TYR 104 -5.722 -2.857 -6.814 779 HA TYR 104 HA TYR 104 -6.727 -1.199 -4.686 780 1HB TYR 104 1HB TYR 104 -7.780 -3.785 -5.850 781 2HB TYR 104 2HB TYR 104 -8.636 -2.783 -4.684 782 HD1 TYR 104 1HD TYR 104 -8.501 -0.124 -5.556 783 HD2 TYR 104 2HD TYR 104 -8.679 -3.629 -7.961 784 HE1 TYR 104 1HE TYR 104 -9.470 1.193 -7.393 785 HE2 TYR 104 2HE TYR 104 -9.648 -2.321 -9.805 786 HH TYR 104 HH TYR 104 -9.553 0.256 -10.483 787 H CYS 105 H CYS 105 -6.801 -1.634 -2.538 788 HA CYS 105 HA CYS 105 -5.249 -3.955 -1.625 789 1HB CYS 105 1HB CYS 105 -4.346 -1.841 -0.875 790 2HB CYS 105 2HB CYS 105 -5.916 -1.344 -0.254 791 HG CYS 105 HG CYS 105 -5.764 -3.777 1.511 792 H SER 106 H SER 106 -6.655 -5.607 -1.385 793 HA SER 106 HA SER 106 -9.136 -5.112 0.113 794 1HB SER 106 1HB SER 106 -9.275 -7.712 -0.834 795 2HB SER 106 2HB SER 106 -10.025 -6.301 -1.580 796 HG SER 106 HG SER 106 -8.814 -6.992 -3.196 797 H PHE 107 H PHE 107 -9.714 -6.442 1.854 798 HA PHE 107 HA PHE 107 -7.434 -7.534 3.293 799 1HB PHE 107 1HB PHE 107 -8.891 -7.567 5.229 800 2HB PHE 107 2HB PHE 107 -9.035 -6.007 4.426 801 HD1 PHE 107 1HD PHE 107 -11.075 -5.354 3.330 802 HD2 PHE 107 2HD PHE 107 -10.714 -9.168 5.184 803 HE1 PHE 107 1HE PHE 107 -13.515 -5.642 3.205 804 HE2 PHE 107 2HE PHE 107 -13.153 -9.462 5.061 805 HZ PHE 107 HZ PHE 107 -14.558 -7.698 4.070 806 H TYR 108 H TYR 108 -9.559 -8.710 1.101 807 HA TYR 108 HA TYR 108 -9.636 -11.381 2.343 808 1HB TYR 108 1HB TYR 108 -11.560 -11.877 0.955 809 2HB TYR 108 2HB TYR 108 -11.857 -10.389 1.847 810 HD1 TYR 108 1HD TYR 108 -11.684 -11.920 -1.392 811 HD2 TYR 108 2HD TYR 108 -11.547 -8.180 0.632 812 HE1 TYR 108 1HE TYR 108 -12.195 -10.765 -3.503 813 HE2 TYR 108 2HE TYR 108 -12.058 -7.015 -1.473 814 HH TYR 108 HH TYR 108 -12.923 -8.763 -4.377 815 HA PRO 109 HA PRO 109 -7.008 -12.994 -0.780 816 1HB PRO 109 1HB PRO 109 -8.009 -15.500 -1.075 817 2HB PRO 109 2HB PRO 109 -7.091 -14.993 0.348 818 1HG PRO 109 1HG PRO 109 -10.054 -15.224 -0.012 819 2HG PRO 109 2HG PRO 109 -9.053 -15.715 1.367 820 1HD PRO 109 1HD PRO 109 -10.484 -13.416 1.351 821 2HD PRO 109 2HD PRO 109 -8.936 -13.572 2.206 822 HA PRO 110 HA PRO 110 -8.760 -12.704 -4.803 823 1HB PRO 110 1HB PRO 110 -7.356 -14.557 -6.206 824 2HB PRO 110 2HB PRO 110 -6.650 -13.034 -5.652 825 1HG PRO 110 1HG PRO 110 -6.448 -15.765 -4.444 826 2HG PRO 110 2HG PRO 110 -5.182 -14.543 -4.666 827 1HD PRO 110 1HD PRO 110 -6.420 -14.944 -2.291 828 2HD PRO 110 2HD PRO 110 -5.833 -13.349 -2.805 829 H ASP 111 H ASP 111 -8.290 -16.125 -3.903 830 HA ASP 111 HA ASP 111 -10.987 -16.829 -4.030 831 1HB ASP 111 1HB ASP 111 -9.756 -16.595 -6.609 832 2HB ASP 111 2HB ASP 111 -10.142 -18.287 -6.308 833 H GLU 112 H GLU 112 -7.648 -17.810 -4.456 834 HA GLU 112 HA GLU 112 -7.821 -20.542 -4.113 835 1HB GLU 112 1HB GLU 112 -5.776 -18.579 -4.034 836 2HB GLU 112 2HB GLU 112 -5.589 -19.578 -2.600 837 1HG GLU 112 1HG GLU 112 -5.471 -21.571 -3.954 838 2HG GLU 112 2HG GLU 112 -5.780 -20.631 -5.412 Start of MODEL 8 1 1H ALA 1 1H ALA 1 15.490 9.335 -2.611 2 HA ALA 1 HA ALA 1 15.166 8.482 -4.739 3 1HB ALA 1 1HB ALA 1 16.138 9.936 -6.394 4 2HB ALA 1 2HB ALA 1 15.697 10.888 -4.976 5 3HB ALA 1 3HB ALA 1 17.383 10.457 -5.259 6 HA PRO 2 HA PRO 2 18.851 5.620 -4.667 7 1HB PRO 2 1HB PRO 2 17.390 3.337 -4.520 8 2HB PRO 2 2HB PRO 2 17.892 4.250 -3.092 9 1HG PRO 2 1HG PRO 2 15.255 4.248 -4.508 10 2HG PRO 2 2HG PRO 2 15.590 4.223 -2.767 11 1HD PRO 2 1HD PRO 2 14.887 6.483 -4.083 12 2HD PRO 2 2HD PRO 2 15.976 6.494 -2.681 13 H ILE 3 H ILE 3 18.860 6.549 -6.909 14 HA ILE 3 HA ILE 3 17.391 5.001 -8.892 15 HB ILE 3 HB ILE 3 19.228 7.379 -9.165 16 1HG1 ILE 3 1HG1 ILE 3 16.242 7.004 -9.431 17 2HG1 ILE 3 2HG1 ILE 3 17.094 7.992 -8.250 18 1HG2 ILE 3 1HG2 ILE 3 19.446 5.900 -11.106 19 2HG2 ILE 3 2HG2 ILE 3 17.697 5.937 -11.325 20 3HG2 ILE 3 3HG2 ILE 3 18.642 7.412 -11.526 21 1HD1 ILE 3 1HD1 ILE 3 16.560 8.518 -11.129 22 2HD1 ILE 3 2HD1 ILE 3 16.359 9.574 -9.730 23 3HD1 ILE 3 3HD1 ILE 3 17.972 9.243 -10.360 24 H LYS 4 H LYS 4 18.211 3.145 -9.576 25 HA LYS 4 HA LYS 4 19.727 1.463 -9.952 26 1HB LYS 4 1HB LYS 4 19.906 3.414 -11.850 27 2HB LYS 4 2HB LYS 4 21.582 3.293 -11.329 28 1HG LYS 4 1HG LYS 4 20.751 0.658 -11.641 29 2HG LYS 4 2HG LYS 4 20.042 1.525 -13.006 30 1HD LYS 4 1HD LYS 4 22.433 2.568 -13.202 31 2HD LYS 4 2HD LYS 4 22.915 1.140 -12.282 32 1HE LYS 4 1HE LYS 4 21.425 1.150 -14.905 33 2HE LYS 4 2HE LYS 4 23.128 0.753 -14.681 34 1HZ LYS 4 1HZ LYS 4 22.265 -1.323 -14.637 35 2HZ LYS 4 2HZ LYS 4 20.755 -0.826 -14.060 36 3HZ LYS 4 3HZ LYS 4 22.063 -0.963 -12.996 37 H GLY 5 H GLY 5 22.570 1.782 -10.460 38 1HA GLY 5 2HA GLY 5 23.438 1.937 -7.666 39 2HA GLY 5 1HA GLY 5 24.316 1.169 -8.981 40 H VAL 6 H VAL 6 23.538 4.211 -7.434 41 HA VAL 6 HA VAL 6 24.536 6.258 -7.469 42 HB VAL 6 HB VAL 6 26.961 4.709 -8.391 43 1HG1 VAL 6 1HG1 VAL 6 26.533 7.484 -8.024 44 2HG1 VAL 6 2HG1 VAL 6 27.572 6.924 -6.712 45 3HG1 VAL 6 3HG1 VAL 6 28.041 6.648 -8.390 46 1HG2 VAL 6 1HG2 VAL 6 27.496 4.921 -5.870 47 2HG2 VAL 6 2HG2 VAL 6 25.760 5.166 -5.685 48 3HG2 VAL 6 3HG2 VAL 6 26.368 3.672 -6.398 49 H THR 7 H THR 7 23.027 6.471 -9.420 50 HA THR 7 HA THR 7 24.500 7.778 -11.513 51 HB THR 7 HB THR 7 22.761 5.435 -12.305 52 HG1 THR 7 1HG THR 7 25.601 5.691 -12.411 53 1HG2 THR 7 1HG2 THR 7 22.658 6.654 -14.201 54 2HG2 THR 7 2HG2 THR 7 24.299 6.061 -14.456 55 3HG2 THR 7 3HG2 THR 7 24.038 7.655 -13.751 56 H PHE 8 H PHE 8 23.204 9.136 -12.799 57 HA PHE 8 HA PHE 8 20.351 9.164 -12.542 58 1HB PHE 8 1HB PHE 8 20.161 11.346 -11.445 59 2HB PHE 8 2HB PHE 8 20.969 10.187 -10.394 60 HD1 PHE 8 1HD PHE 8 21.156 13.384 -11.950 61 HD2 PHE 8 2HD PHE 8 23.515 10.250 -10.300 62 HE1 PHE 8 1HE PHE 8 23.039 14.945 -11.688 63 HE2 PHE 8 2HE PHE 8 25.402 11.806 -10.034 64 HZ PHE 8 HZ PHE 8 25.166 14.157 -10.727 65 H GLY 9 H GLY 9 19.353 10.488 -14.060 66 1HA GLY 9 2HA GLY 9 19.168 11.674 -16.016 67 2HA GLY 9 1HA GLY 9 20.604 12.548 -15.504 68 H GLU 10 H GLU 10 19.860 9.241 -16.625 69 HA GLU 10 HA GLU 10 22.191 9.446 -18.413 70 1HB GLU 10 1HB GLU 10 21.078 7.226 -16.787 71 2HB GLU 10 2HB GLU 10 21.741 6.802 -18.358 72 1HG GLU 10 1HG GLU 10 23.271 8.416 -16.344 73 2HG GLU 10 2HG GLU 10 23.307 6.654 -16.382 74 H ASP 11 H ASP 11 19.027 7.812 -18.204 75 HA ASP 11 HA ASP 11 18.641 8.387 -21.062 76 1HB ASP 11 1HB ASP 11 19.306 5.942 -20.453 77 2HB ASP 11 2HB ASP 11 17.650 5.817 -19.867 78 H THR 12 H THR 12 16.793 6.845 -18.429 79 HA THR 12 HA THR 12 14.972 8.963 -18.083 80 HB THR 12 HB THR 12 14.285 8.276 -20.388 81 HG1 THR 12 1HG THR 12 12.126 8.437 -19.880 82 1HG2 THR 12 1HG2 THR 12 13.949 6.138 -20.918 83 2HG2 THR 12 2HG2 THR 12 12.759 5.968 -19.628 84 3HG2 THR 12 3HG2 THR 12 14.467 5.689 -19.294 85 H VAL 13 H VAL 13 12.864 8.084 -16.995 86 HA VAL 13 HA VAL 13 13.748 6.229 -14.932 87 HB VAL 13 HB VAL 13 11.039 7.491 -14.917 88 1HG1 VAL 13 1HG1 VAL 13 13.069 6.666 -12.862 89 2HG1 VAL 13 2HG1 VAL 13 11.683 7.681 -12.460 90 3HG1 VAL 13 3HG1 VAL 13 11.432 6.056 -13.097 91 1HG2 VAL 13 1HG2 VAL 13 12.207 9.420 -15.462 92 2HG2 VAL 13 2HG2 VAL 13 12.228 9.441 -13.698 93 3HG2 VAL 13 3HG2 VAL 13 13.654 8.912 -14.591 94 H TRP 14 H TRP 14 12.180 4.591 -14.122 95 HA TRP 14 HA TRP 14 10.950 2.703 -14.428 96 1HB TRP 14 1HB TRP 14 9.677 4.456 -16.531 97 2HB TRP 14 2HB TRP 14 9.097 2.836 -16.157 98 HD1 TRP 14 HD TRP 14 9.788 6.120 -14.189 99 HE1 TRP 14 1HE TRP 14 7.947 6.369 -12.408 100 HE3 TRP 14 3HE TRP 14 7.225 1.783 -15.060 101 HZ2 TRP 14 2HZ TRP 14 5.705 4.919 -11.493 102 HZ3 TRP 14 3HZ TRP 14 5.244 1.289 -13.687 103 HH2 TRP 14 HH TRP 14 4.502 2.825 -11.940 104 H GLU 15 H GLU 15 13.421 3.396 -16.125 105 HA GLU 15 HA GLU 15 13.169 1.069 -17.888 106 1HB GLU 15 1HB GLU 15 14.037 3.834 -18.679 107 2HB GLU 15 2HB GLU 15 14.632 2.424 -19.545 108 1HG GLU 15 1HG GLU 15 11.754 2.369 -19.213 109 2HG GLU 15 2HG GLU 15 12.306 3.814 -20.059 110 H VAL 16 H VAL 16 15.248 3.362 -16.210 111 HA VAL 16 HA VAL 16 17.336 1.284 -16.108 112 HB VAL 16 HB VAL 16 18.051 4.182 -15.914 113 1HG1 VAL 16 1HG1 VAL 16 19.415 1.655 -16.044 114 2HG1 VAL 16 2HG1 VAL 16 19.939 2.706 -17.361 115 3HG1 VAL 16 3HG1 VAL 16 20.059 3.258 -15.690 116 1HG2 VAL 16 1HG2 VAL 16 16.765 4.100 -17.948 117 2HG2 VAL 16 2HG2 VAL 16 18.477 4.197 -18.359 118 3HG2 VAL 16 3HG2 VAL 16 17.627 2.657 -18.482 119 H GLN 17 H GLN 17 15.699 3.925 -14.467 120 HA GLN 17 HA GLN 17 17.098 4.090 -12.107 121 1HB GLN 17 1HB GLN 17 15.399 5.637 -12.227 122 2HB GLN 17 2HB GLN 17 14.233 4.470 -12.837 123 1HG GLN 17 1HG GLN 17 13.908 3.544 -10.670 124 2HG GLN 17 2HG GLN 17 15.257 4.469 -10.011 125 1HE2 GLN 17 1HE2 GLN 17 11.936 4.484 -10.876 126 2HE2 GLN 17 2HE2 GLN 17 11.565 6.072 -10.308 127 H GLY 18 H GLY 18 14.558 1.761 -12.961 128 1HA GLY 18 2HA GLY 18 14.359 -0.436 -12.214 129 2HA GLY 18 1HA GLY 18 15.678 -0.146 -11.089 130 H TYR 19 H TYR 19 12.740 1.779 -11.381 131 HA TYR 19 HA TYR 19 11.595 0.584 -8.998 132 1HB TYR 19 1HB TYR 19 12.825 3.309 -9.050 133 2HB TYR 19 2HB TYR 19 11.380 3.048 -8.080 134 HD1 TYR 19 1HD TYR 19 11.452 1.110 -6.378 135 HD2 TYR 19 2HD TYR 19 14.924 2.775 -8.188 136 HE1 TYR 19 1HE TYR 19 12.832 0.193 -4.560 137 HE2 TYR 19 2HE TYR 19 16.314 1.862 -6.376 138 HH TYR 19 HH TYR 19 14.866 0.051 -3.684 139 H LYS 20 H LYS 20 9.477 1.651 -8.441 140 HA LYS 20 HA LYS 20 8.206 2.969 -10.724 141 1HB LYS 20 1HB LYS 20 7.343 0.364 -9.486 142 2HB LYS 20 2HB LYS 20 6.207 1.398 -10.343 143 1HG LYS 20 1HG LYS 20 6.850 -0.045 -12.001 144 2HG LYS 20 2HG LYS 20 7.979 1.288 -12.251 145 1HD LYS 20 1HD LYS 20 9.738 -0.010 -11.806 146 2HD LYS 20 2HD LYS 20 8.992 -0.632 -10.332 147 1HE LYS 20 1HE LYS 20 8.963 -2.582 -11.450 148 2HE LYS 20 2HE LYS 20 7.533 -1.906 -12.228 149 1HZ LYS 20 1HZ LYS 20 9.271 -2.843 -13.753 150 2HZ LYS 20 2HZ LYS 20 10.267 -1.549 -13.312 151 3HZ LYS 20 3HZ LYS 20 8.794 -1.255 -14.092 152 H ASN 21 H ASN 21 5.693 3.233 -9.962 153 HA ASN 21 HA ASN 21 5.683 4.167 -7.182 154 1HB ASN 21 1HB ASN 21 4.926 5.811 -9.603 155 2HB ASN 21 2HB ASN 21 4.497 6.253 -7.953 156 1HD2 ASN 21 1HD2 ASN 21 7.289 5.398 -9.953 157 2HD2 ASN 21 2HD2 ASN 21 8.395 6.473 -9.174 158 H VAL 22 H VAL 22 4.180 2.844 -6.349 159 HA VAL 22 HA VAL 22 1.627 2.564 -7.794 160 HB VAL 22 HB VAL 22 2.872 0.444 -7.394 161 1HG1 VAL 22 1HG1 VAL 22 2.165 0.647 -4.499 162 2HG1 VAL 22 2HG1 VAL 22 3.365 -0.374 -5.294 163 3HG1 VAL 22 3HG1 VAL 22 3.672 1.351 -5.084 164 1HG2 VAL 22 1HG2 VAL 22 0.938 -0.695 -7.191 165 2HG2 VAL 22 2HG2 VAL 22 0.492 0.120 -5.692 166 3HG2 VAL 22 3HG2 VAL 22 0.212 0.912 -7.243 167 H ARG 23 H ARG 23 -0.324 2.675 -6.605 168 HA ARG 23 HA ARG 23 -0.094 3.916 -3.946 169 1HB ARG 23 1HB ARG 23 -1.279 4.995 -6.380 170 2HB ARG 23 2HB ARG 23 -2.417 4.965 -5.040 171 1HG ARG 23 1HG ARG 23 0.104 5.958 -4.125 172 2HG ARG 23 2HG ARG 23 -0.405 6.851 -5.560 173 1HD ARG 23 1HD ARG 23 -2.732 6.756 -4.201 174 2HD ARG 23 2HD ARG 23 -1.588 6.754 -2.859 175 HE ARG 23 HE ARG 23 -1.137 8.947 -3.304 176 1HH1 ARG 23 2HH1 ARG 23 -2.632 7.519 -6.106 177 2HH1 ARG 23 1HH1 ARG 23 -2.760 9.019 -6.963 178 1HH2 ARG 23 2HH2 ARG 23 -1.300 10.928 -4.423 179 2HH2 ARG 23 1HH2 ARG 23 -2.001 10.957 -6.006 180 H ILE 24 H ILE 24 -2.006 3.694 -2.599 181 HA ILE 24 HA ILE 24 -3.582 1.299 -3.290 182 HB ILE 24 HB ILE 24 -2.690 2.198 -0.547 183 1HG1 ILE 24 1HG1 ILE 24 -0.864 1.212 -1.823 184 2HG1 ILE 24 2HG1 ILE 24 -1.382 0.096 -0.565 185 1HG2 ILE 24 1HG2 ILE 24 -4.837 1.205 -0.333 186 2HG2 ILE 24 2HG2 ILE 24 -4.416 -0.099 -1.442 187 3HG2 ILE 24 3HG2 ILE 24 -3.659 -0.016 0.149 188 1HD1 ILE 24 1HD1 ILE 24 -1.045 -1.223 -2.461 189 2HD1 ILE 24 2HD1 ILE 24 -2.794 -1.014 -2.363 190 3HD1 ILE 24 3HD1 ILE 24 -1.855 -0.067 -3.517 191 H THR 25 H THR 25 -5.719 1.530 -3.349 192 HA THR 25 HA THR 25 -7.120 3.368 -1.642 193 HB THR 25 HB THR 25 -7.117 3.897 -4.620 194 HG1 THR 25 1HG THR 25 -5.901 5.129 -2.410 195 1HG2 THR 25 1HG2 THR 25 -8.467 5.957 -3.648 196 2HG2 THR 25 2HG2 THR 25 -8.874 4.790 -2.390 197 3HG2 THR 25 3HG2 THR 25 -9.272 4.448 -4.073 198 H PHE 26 H PHE 26 -7.961 1.220 -1.128 199 HA PHE 26 HA PHE 26 -10.032 0.368 -3.043 200 1HB PHE 26 1HB PHE 26 -8.330 -1.354 -2.846 201 2HB PHE 26 2HB PHE 26 -8.458 -1.322 -1.091 202 HD1 PHE 26 1HD PHE 26 -10.110 -2.567 0.038 203 HD2 PHE 26 2HD PHE 26 -10.240 -2.204 -4.201 204 HE1 PHE 26 1HE PHE 26 -11.840 -4.314 -0.055 205 HE2 PHE 26 2HE PHE 26 -11.971 -3.949 -4.301 206 HZ PHE 26 HZ PHE 26 -12.774 -5.006 -2.227 207 H GLU 27 H GLU 27 -9.407 -0.439 0.359 208 HA GLU 27 HA GLU 27 -11.372 1.158 1.519 209 1HB GLU 27 1HB GLU 27 -12.433 -1.113 0.107 210 2HB GLU 27 2HB GLU 27 -12.747 -1.285 1.828 211 1HG GLU 27 1HG GLU 27 -13.581 1.160 1.668 212 2HG GLU 27 2HG GLU 27 -13.683 0.829 -0.060 213 H LEU 28 H LEU 28 -11.010 1.162 3.647 214 HA LEU 28 HA LEU 28 -10.072 -1.267 4.970 215 1HB LEU 28 1HB LEU 28 -8.405 0.975 4.315 216 2HB LEU 28 2HB LEU 28 -8.542 0.822 6.066 217 HG LEU 28 HG LEU 28 -6.584 -0.349 5.351 218 1HD1 LEU 28 1HD1 LEU 28 -6.931 -2.100 6.693 219 2HD1 LEU 28 2HD1 LEU 28 -8.231 -2.736 5.685 220 3HD1 LEU 28 3HD1 LEU 28 -8.569 -1.468 6.863 221 1HD2 LEU 28 1HD2 LEU 28 -7.992 -2.353 3.720 222 2HD2 LEU 28 2HD2 LEU 28 -6.400 -1.625 3.505 223 3HD2 LEU 28 3HD2 LEU 28 -7.846 -0.751 2.997 224 H ASP 29 H ASP 29 -10.637 2.207 5.559 225 HA ASP 29 HA ASP 29 -12.388 1.448 7.798 226 1HB ASP 29 1HB ASP 29 -10.077 3.344 7.789 227 2HB ASP 29 2HB ASP 29 -11.468 3.710 8.806 228 H GLU 30 H GLU 30 -13.675 3.470 8.541 229 HA GLU 30 HA GLU 30 -14.704 4.779 6.114 230 1HB GLU 30 1HB GLU 30 -16.035 3.897 8.658 231 2HB GLU 30 2HB GLU 30 -16.767 5.133 7.645 232 1HG GLU 30 1HG GLU 30 -16.001 2.916 6.018 233 2HG GLU 30 2HG GLU 30 -16.949 2.340 7.388 234 H ARG 31 H ARG 31 -14.092 5.325 9.571 235 HA ARG 31 HA ARG 31 -14.482 8.159 9.365 236 1HB ARG 31 1HB ARG 31 -14.662 6.503 11.438 237 2HB ARG 31 2HB ARG 31 -12.976 6.962 11.641 238 1HG ARG 31 1HG ARG 31 -14.129 8.467 12.980 239 2HG ARG 31 2HG ARG 31 -13.820 9.378 11.500 240 1HD ARG 31 1HD ARG 31 -16.038 9.167 10.774 241 2HD ARG 31 2HD ARG 31 -16.372 7.852 11.900 242 HE ARG 31 HE ARG 31 -16.931 9.415 13.460 243 1HH1 ARG 31 2HH1 ARG 31 -14.928 10.927 11.047 244 2HH1 ARG 31 1HH1 ARG 31 -15.095 12.517 11.717 245 1HH2 ARG 31 2HH2 ARG 31 -17.159 11.503 14.351 246 2HH2 ARG 31 1HH2 ARG 31 -16.363 12.843 13.597 247 H VAL 32 H VAL 32 -11.888 6.021 8.773 248 HA VAL 32 HA VAL 32 -10.097 8.307 8.371 249 HB VAL 32 HB VAL 32 -8.187 6.962 9.256 250 1HG1 VAL 32 1HG1 VAL 32 -10.249 7.389 11.397 251 2HG1 VAL 32 2HG1 VAL 32 -8.502 7.621 11.487 252 3HG1 VAL 32 3HG1 VAL 32 -9.494 8.734 10.543 253 1HG2 VAL 32 1HG2 VAL 32 -10.423 5.160 10.160 254 2HG2 VAL 32 2HG2 VAL 32 -9.030 4.743 9.161 255 3HG2 VAL 32 3HG2 VAL 32 -8.807 5.128 10.868 256 H ASP 33 H ASP 33 -11.536 7.036 6.389 257 HA ASP 33 HA ASP 33 -10.104 4.930 5.135 258 1HB ASP 33 1HB ASP 33 -12.571 5.870 4.789 259 2HB ASP 33 2HB ASP 33 -11.778 6.785 3.510 260 H LYS 34 H LYS 34 -10.414 8.372 4.245 261 HA LYS 34 HA LYS 34 -8.377 8.286 2.284 262 1HB LYS 34 1HB LYS 34 -8.863 10.481 1.922 263 2HB LYS 34 2HB LYS 34 -10.300 10.057 2.841 264 1HG LYS 34 1HG LYS 34 -7.816 11.340 3.960 265 2HG LYS 34 2HG LYS 34 -9.334 12.164 3.596 266 1HD LYS 34 1HD LYS 34 -10.051 10.002 5.206 267 2HD LYS 34 2HD LYS 34 -8.576 10.643 5.933 268 1HE LYS 34 1HE LYS 34 -10.829 12.451 5.127 269 2HE LYS 34 2HE LYS 34 -10.841 11.615 6.679 270 1HZ LYS 34 1HZ LYS 34 -9.119 12.851 7.465 271 2HZ LYS 34 2HZ LYS 34 -9.796 13.991 6.415 272 3HZ LYS 34 3HZ LYS 34 -8.434 13.107 5.939 273 H VAL 35 H VAL 35 -8.230 8.253 5.654 274 HA VAL 35 HA VAL 35 -5.834 9.727 6.065 275 HB VAL 35 HB VAL 35 -6.989 7.512 7.767 276 1HG1 VAL 35 1HG1 VAL 35 -4.615 9.160 7.994 277 2HG1 VAL 35 2HG1 VAL 35 -5.684 9.342 9.386 278 3HG1 VAL 35 3HG1 VAL 35 -5.099 7.743 8.925 279 1HG2 VAL 35 1HG2 VAL 35 -8.006 9.322 9.076 280 2HG2 VAL 35 2HG2 VAL 35 -7.415 10.497 7.902 281 3HG2 VAL 35 3HG2 VAL 35 -8.611 9.294 7.420 282 H LEU 36 H LEU 36 -6.471 6.660 4.734 283 HA LEU 36 HA LEU 36 -3.628 5.927 4.995 284 1HB LEU 36 1HB LEU 36 -4.475 3.557 4.613 285 2HB LEU 36 2HB LEU 36 -4.767 4.283 6.192 286 HG LEU 36 HG LEU 36 -7.099 4.850 5.295 287 1HD1 LEU 36 1HD1 LEU 36 -6.729 4.480 2.953 288 2HD1 LEU 36 2HD1 LEU 36 -7.894 3.293 3.537 289 3HD1 LEU 36 3HD1 LEU 36 -6.220 2.817 3.251 290 1HD2 LEU 36 1HD2 LEU 36 -7.956 2.850 6.129 291 2HD2 LEU 36 2HD2 LEU 36 -6.379 2.984 6.910 292 3HD2 LEU 36 3HD2 LEU 36 -6.593 1.904 5.531 293 H ASN 37 H ASN 37 -5.773 7.165 2.914 294 HA ASN 37 HA ASN 37 -4.600 5.777 0.593 295 1HB ASN 37 1HB ASN 37 -6.649 5.550 -0.277 296 2HB ASN 37 2HB ASN 37 -7.310 6.160 1.237 297 1HD2 ASN 37 1HD2 ASN 37 -7.253 6.594 -2.017 298 2HD2 ASN 37 2HD2 ASN 37 -7.752 8.246 -2.096 299 H GLU 38 H GLU 38 -5.204 8.803 2.165 300 HA GLU 38 HA GLU 38 -3.944 10.227 -0.086 301 1HB GLU 38 1HB GLU 38 -6.030 11.234 0.196 302 2HB GLU 38 2HB GLU 38 -5.979 11.077 1.946 303 1HG GLU 38 1HG GLU 38 -4.874 13.009 2.222 304 2HG GLU 38 2HG GLU 38 -3.882 12.772 0.785 305 H LYS 39 H LYS 39 -4.074 10.010 3.451 306 HA LYS 39 HA LYS 39 -2.102 11.818 4.124 307 1HB LYS 39 1HB LYS 39 -3.631 10.277 5.595 308 2HB LYS 39 2HB LYS 39 -2.250 9.189 5.553 309 1HG LYS 39 1HG LYS 39 -1.325 10.321 7.209 310 2HG LYS 39 2HG LYS 39 -1.267 11.759 6.187 311 1HD LYS 39 1HD LYS 39 -3.609 10.911 7.893 312 2HD LYS 39 2HD LYS 39 -2.447 12.176 8.302 313 1HE LYS 39 1HE LYS 39 -3.115 13.403 6.270 314 2HE LYS 39 2HE LYS 39 -4.316 12.157 5.933 315 1HZ LYS 39 1HZ LYS 39 -5.721 13.045 7.389 316 2HZ LYS 39 2HZ LYS 39 -4.719 14.407 7.411 317 3HZ LYS 39 3HZ LYS 39 -4.537 13.204 8.587 318 H CYS 40 H CYS 40 -1.706 8.373 3.332 319 HA CYS 40 HA CYS 40 0.805 8.792 2.085 320 1HB CYS 40 1HB CYS 40 0.808 8.249 4.947 321 2HB CYS 40 2HB CYS 40 1.710 7.040 4.041 322 HG CYS 40 HG CYS 40 2.869 9.762 5.117 323 H SER 41 H SER 41 -0.394 7.628 0.502 324 HA SER 41 HA SER 41 -0.600 4.741 1.059 325 1HB SER 41 1HB SER 41 -2.650 6.415 0.296 326 2HB SER 41 2HB SER 41 -2.135 5.720 -1.241 327 HG SER 41 HG SER 41 -2.659 4.152 1.058 328 H VAL 42 H VAL 42 1.250 6.959 -0.450 329 HA VAL 42 HA VAL 42 1.676 5.571 -2.953 330 HB VAL 42 HB VAL 42 3.143 7.896 -1.701 331 1HG1 VAL 42 1HG1 VAL 42 4.651 6.694 -3.151 332 2HG1 VAL 42 2HG1 VAL 42 3.440 6.656 -4.434 333 3HG1 VAL 42 3HG1 VAL 42 4.153 8.191 -3.938 334 1HG2 VAL 42 1HG2 VAL 42 0.676 8.027 -2.597 335 2HG2 VAL 42 2HG2 VAL 42 1.836 9.308 -2.952 336 3HG2 VAL 42 3HG2 VAL 42 1.480 8.079 -4.166 337 H TYR 43 H TYR 43 3.435 4.339 -3.513 338 HA TYR 43 HA TYR 43 5.563 3.899 -1.581 339 1HB TYR 43 1HB TYR 43 3.847 1.615 -2.576 340 2HB TYR 43 2HB TYR 43 5.271 1.471 -1.551 341 HD1 TYR 43 1HD TYR 43 1.734 2.398 -1.677 342 HD2 TYR 43 2HD TYR 43 5.180 2.095 0.801 343 HE1 TYR 43 1HE TYR 43 0.311 2.613 0.318 344 HE2 TYR 43 2HE TYR 43 3.766 2.309 2.803 345 HH TYR 43 HH TYR 43 0.910 3.514 2.916 346 H THR 44 H THR 44 7.344 2.637 -2.471 347 HA THR 44 HA THR 44 7.483 2.908 -5.399 348 HB THR 44 HB THR 44 9.989 2.550 -3.860 349 HG1 THR 44 1HG THR 44 9.948 4.845 -3.352 350 1HG2 THR 44 1HG2 THR 44 10.890 3.984 -5.509 351 2HG2 THR 44 2HG2 THR 44 9.298 4.595 -5.958 352 3HG2 THR 44 3HG2 THR 44 9.754 2.940 -6.363 353 H VAL 45 H VAL 45 7.992 1.191 -6.650 354 HA VAL 45 HA VAL 45 8.531 -1.360 -5.273 355 HB VAL 45 HB VAL 45 7.046 -0.921 -7.868 356 1HG1 VAL 45 1HG1 VAL 45 8.094 -2.969 -8.167 357 2HG1 VAL 45 2HG1 VAL 45 7.983 -3.390 -6.457 358 3HG1 VAL 45 3HG1 VAL 45 6.540 -3.427 -7.471 359 1HG2 VAL 45 1HG2 VAL 45 5.692 -2.290 -5.672 360 2HG2 VAL 45 2HG2 VAL 45 6.099 -0.612 -5.316 361 3HG2 VAL 45 3HG2 VAL 45 5.119 -1.000 -6.729 362 H GLU 46 H GLU 46 10.477 -2.173 -5.647 363 HA GLU 46 HA GLU 46 12.319 -1.080 -7.457 364 1HB GLU 46 1HB GLU 46 12.348 -3.018 -5.411 365 2HB GLU 46 2HB GLU 46 12.963 -3.821 -6.850 366 1HG GLU 46 1HG GLU 46 14.264 -1.386 -6.852 367 2HG GLU 46 2HG GLU 46 14.212 -1.838 -5.149 368 H SER 47 H SER 47 13.557 -3.018 -8.843 369 HA SER 47 HA SER 47 11.733 -3.444 -11.043 370 1HB SER 47 1HB SER 47 14.155 -2.685 -11.273 371 2HB SER 47 2HB SER 47 14.612 -4.345 -10.889 372 HG SER 47 HG SER 47 14.287 -4.747 -12.915 373 H GLY 48 H GLY 48 13.462 -5.393 -8.672 374 1HA GLY 48 2HA GLY 48 12.072 -7.779 -9.723 375 2HA GLY 48 1HA GLY 48 13.627 -7.830 -8.906 376 H THR 49 H THR 49 10.179 -7.309 -8.478 377 HA THR 49 HA THR 49 10.461 -8.182 -5.694 378 HB THR 49 HB THR 49 8.475 -6.026 -6.267 379 HG1 THR 49 1HG THR 49 10.001 -4.615 -6.622 380 1HG2 THR 49 1HG2 THR 49 8.181 -6.633 -4.100 381 2HG2 THR 49 2HG2 THR 49 9.512 -5.506 -3.843 382 3HG2 THR 49 3HG2 THR 49 9.828 -7.238 -3.933 383 H GLU 50 H GLU 50 8.333 -8.811 -4.738 384 HA GLU 50 HA GLU 50 6.625 -10.018 -6.812 385 1HB GLU 50 1HB GLU 50 7.731 -11.035 -4.280 386 2HB GLU 50 2HB GLU 50 6.033 -11.410 -4.541 387 1HG GLU 50 1HG GLU 50 7.520 -11.914 -6.937 388 2HG GLU 50 2HG GLU 50 8.269 -12.742 -5.572 389 H VAL 51 H VAL 51 4.348 -10.180 -6.373 390 HA VAL 51 HA VAL 51 3.204 -7.787 -5.456 391 HB VAL 51 HB VAL 51 1.740 -10.413 -5.692 392 1HG1 VAL 51 1HG1 VAL 51 0.882 -7.540 -6.014 393 2HG1 VAL 51 2HG1 VAL 51 -0.137 -8.941 -6.354 394 3HG1 VAL 51 3HG1 VAL 51 0.431 -8.640 -4.712 395 1HG2 VAL 51 1HG2 VAL 51 2.414 -10.477 -7.820 396 2HG2 VAL 51 2HG2 VAL 51 1.378 -9.074 -8.076 397 3HG2 VAL 51 3HG2 VAL 51 3.095 -8.852 -7.739 398 H THR 52 H THR 52 4.246 -10.553 -3.755 399 HA THR 52 HA THR 52 2.505 -10.087 -1.470 400 HB THR 52 HB THR 52 2.934 -12.398 -1.977 401 HG1 THR 52 1HG THR 52 4.107 -12.952 0.072 402 1HG2 THR 52 1HG2 THR 52 5.325 -13.260 -1.683 403 2HG2 THR 52 2HG2 THR 52 5.826 -11.580 -1.874 404 3HG2 THR 52 3HG2 THR 52 4.959 -12.395 -3.175 405 H GLU 53 H GLU 53 5.671 -9.277 -2.562 406 HA GLU 53 HA GLU 53 6.899 -8.829 -0.049 407 1HB GLU 53 1HB GLU 53 7.707 -8.758 -2.700 408 2HB GLU 53 2HB GLU 53 7.838 -7.082 -2.186 409 1HG GLU 53 1HG GLU 53 9.788 -7.565 -1.272 410 2HG GLU 53 2HG GLU 53 8.951 -8.601 -0.117 411 H PHE 54 H PHE 54 4.642 -7.027 -1.932 412 HA PHE 54 HA PHE 54 5.167 -4.523 -0.572 413 1HB PHE 54 1HB PHE 54 2.768 -5.057 -2.300 414 2HB PHE 54 2HB PHE 54 3.628 -3.543 -2.043 415 HD1 PHE 54 1HD PHE 54 6.308 -3.925 -2.668 416 HD2 PHE 54 2HD PHE 54 2.941 -5.830 -4.442 417 HE1 PHE 54 1HE PHE 54 7.614 -4.318 -4.716 418 HE2 PHE 54 2HE PHE 54 4.241 -6.227 -6.492 419 HZ PHE 54 HZ PHE 54 6.581 -5.471 -6.631 420 H ALA 55 H ALA 55 3.344 -7.317 -0.014 421 HA ALA 55 HA ALA 55 1.185 -6.096 1.435 422 1HB ALA 55 1HB ALA 55 0.284 -8.099 1.142 423 2HB ALA 55 2HB ALA 55 1.800 -8.684 0.455 424 3HB ALA 55 3HB ALA 55 1.509 -8.815 2.190 425 H CYS 56 H CYS 56 4.427 -6.755 2.123 426 HA CYS 56 HA CYS 56 3.920 -6.784 5.020 427 1HB CYS 56 1HB CYS 56 6.071 -7.776 5.318 428 2HB CYS 56 2HB CYS 56 5.281 -8.655 4.015 429 HG CYS 56 HG CYS 56 7.514 -6.144 3.402 430 H VAL 57 H VAL 57 4.700 -4.725 2.553 431 HA VAL 57 HA VAL 57 6.350 -3.000 4.276 432 HB VAL 57 HB VAL 57 7.195 -3.677 1.960 433 1HG1 VAL 57 1HG1 VAL 57 4.793 -3.066 1.043 434 2HG1 VAL 57 2HG1 VAL 57 5.528 -1.472 0.866 435 3HG1 VAL 57 3HG1 VAL 57 6.238 -2.867 0.052 436 1HG2 VAL 57 1HG2 VAL 57 7.942 -1.281 1.483 437 2HG2 VAL 57 2HG2 VAL 57 6.991 -0.831 2.899 438 3HG2 VAL 57 3HG2 VAL 57 8.341 -1.953 3.064 439 H VAL 58 H VAL 58 3.339 -3.257 2.569 440 HA VAL 58 HA VAL 58 2.697 -0.444 3.037 441 HB VAL 58 HB VAL 58 1.023 -2.561 1.679 442 1HG1 VAL 58 1HG1 VAL 58 0.262 -0.131 0.690 443 2HG1 VAL 58 2HG1 VAL 58 -0.573 -1.014 1.970 444 3HG1 VAL 58 3HG1 VAL 58 0.592 0.246 2.381 445 1HG2 VAL 58 1HG2 VAL 58 3.382 -1.298 0.775 446 2HG2 VAL 58 2HG2 VAL 58 2.281 -2.329 -0.137 447 3HG2 VAL 58 3HG2 VAL 58 2.036 -0.583 -0.112 448 H ALA 59 H ALA 59 2.295 -3.476 4.503 449 HA ALA 59 HA ALA 59 -0.152 -2.754 5.904 450 1HB ALA 59 1HB ALA 59 -0.153 -4.963 6.773 451 2HB ALA 59 2HB ALA 59 0.304 -5.083 5.073 452 3HB ALA 59 3HB ALA 59 1.536 -5.209 6.329 453 H GLU 60 H GLU 60 2.987 -1.935 6.234 454 HA GLU 60 HA GLU 60 2.866 -1.906 9.177 455 1HB GLU 60 1HB GLU 60 5.289 -1.768 9.185 456 2HB GLU 60 2HB GLU 60 4.774 -3.164 8.249 457 1HG GLU 60 1HG GLU 60 5.165 -1.957 6.184 458 2HG GLU 60 2HG GLU 60 5.618 -0.517 7.093 459 H ALA 61 H ALA 61 3.415 -0.003 6.286 460 HA ALA 61 HA ALA 61 4.006 2.413 7.754 461 1HB ALA 61 1HB ALA 61 5.111 2.456 5.749 462 2HB ALA 61 2HB ALA 61 3.792 1.675 4.878 463 3HB ALA 61 3HB ALA 61 3.664 3.374 5.333 464 H VAL 62 H VAL 62 1.243 0.740 7.342 465 HA VAL 62 HA VAL 62 -0.463 3.100 6.978 466 HB VAL 62 HB VAL 62 -2.328 1.412 6.854 467 1HG1 VAL 62 1HG1 VAL 62 -0.077 1.402 4.862 468 2HG1 VAL 62 2HG1 VAL 62 -1.607 0.573 4.564 469 3HG1 VAL 62 3HG1 VAL 62 -1.582 2.319 4.814 470 1HG2 VAL 62 1HG2 VAL 62 -1.741 -0.918 6.438 471 2HG2 VAL 62 2HG2 VAL 62 -0.038 -0.548 6.711 472 3HG2 VAL 62 3HG2 VAL 62 -1.194 -0.409 8.035 473 H VAL 63 H VAL 63 0.332 0.543 9.252 474 HA VAL 63 HA VAL 63 -1.704 0.978 11.129 475 HB VAL 63 HB VAL 63 1.117 -0.001 11.588 476 1HG1 VAL 63 1HG1 VAL 63 -0.929 0.679 13.453 477 2HG1 VAL 63 2HG1 VAL 63 -0.698 -1.070 13.472 478 3HG1 VAL 63 3HG1 VAL 63 0.670 0.005 13.762 479 1HG2 VAL 63 1HG2 VAL 63 -1.450 -1.542 11.224 480 2HG2 VAL 63 2HG2 VAL 63 -0.200 -1.344 9.995 481 3HG2 VAL 63 3HG2 VAL 63 0.156 -2.224 11.482 482 H LYS 64 H LYS 64 1.699 2.012 11.427 483 HA LYS 64 HA LYS 64 1.332 3.741 13.570 484 1HB LYS 64 1HB LYS 64 3.452 4.829 12.787 485 2HB LYS 64 2HB LYS 64 3.547 3.081 12.951 486 1HG LYS 64 1HG LYS 64 2.757 3.520 10.315 487 2HG LYS 64 2HG LYS 64 3.994 4.735 10.640 488 1HD LYS 64 1HD LYS 64 4.349 1.821 11.307 489 2HD LYS 64 2HD LYS 64 4.816 2.511 9.751 490 1HE LYS 64 1HE LYS 64 6.335 4.044 10.861 491 2HE LYS 64 2HE LYS 64 5.824 3.444 12.437 492 1HZ LYS 64 1HZ LYS 64 6.997 1.529 12.195 493 2HZ LYS 64 2HZ LYS 64 7.973 2.543 11.257 494 3HZ LYS 64 3HZ LYS 64 6.866 1.507 10.508 495 H THR 65 H THR 65 0.585 4.166 10.223 496 HA THR 65 HA THR 65 0.378 7.046 10.387 497 HB THR 65 HB THR 65 -0.456 5.140 8.192 498 HG1 THR 65 1HG THR 65 1.844 6.763 8.606 499 1HG2 THR 65 1HG2 THR 65 -0.829 8.030 8.560 500 2HG2 THR 65 2HG2 THR 65 -1.670 6.905 7.493 501 3HG2 THR 65 3HG2 THR 65 -0.109 7.573 7.017 502 H LEU 66 H LEU 66 -1.677 4.296 10.813 503 HA LEU 66 HA LEU 66 -4.022 6.071 10.994 504 1HB LEU 66 1HB LEU 66 -3.691 3.245 10.116 505 2HB LEU 66 2HB LEU 66 -5.207 3.720 10.879 506 HG LEU 66 HG LEU 66 -5.048 3.736 8.309 507 1HD1 LEU 66 1HD1 LEU 66 -6.907 4.661 9.626 508 2HD1 LEU 66 2HD1 LEU 66 -6.577 5.607 8.174 509 3HD1 LEU 66 3HD1 LEU 66 -6.040 6.192 9.748 510 1HD2 LEU 66 1HD2 LEU 66 -3.677 6.351 8.926 511 2HD2 LEU 66 2HD2 LEU 66 -4.210 5.801 7.337 512 3HD2 LEU 66 3HD2 LEU 66 -2.918 4.945 8.180 513 H GLN 67 H GLN 67 -2.463 6.169 13.153 514 HA GLN 67 HA GLN 67 -3.910 4.530 15.124 515 1HB GLN 67 1HB GLN 67 -0.981 5.100 14.901 516 2HB GLN 67 2HB GLN 67 -1.694 4.862 16.491 517 1HG GLN 67 1HG GLN 67 -2.602 2.784 14.779 518 2HG GLN 67 2HG GLN 67 -0.851 2.915 14.628 519 1HE2 GLN 67 1HE2 GLN 67 0.397 2.872 16.620 520 2HE2 GLN 67 2HE2 GLN 67 -0.179 1.932 17.951 521 HA PRO 68 HA PRO 68 -3.790 9.255 15.933 522 1HB PRO 68 1HB PRO 68 -6.225 9.941 14.948 523 2HB PRO 68 2HB PRO 68 -4.747 9.993 13.979 524 1HG PRO 68 1HG PRO 68 -6.877 7.891 14.074 525 2HG PRO 68 2HG PRO 68 -6.042 8.575 12.667 526 1HD PRO 68 1HD PRO 68 -5.372 6.178 13.735 527 2HD PRO 68 2HD PRO 68 -4.181 7.249 12.968 528 H VAL 69 H VAL 69 -6.713 7.205 15.891 529 HA VAL 69 HA VAL 69 -6.951 7.430 18.767 530 HB VAL 69 HB VAL 69 -9.424 8.106 18.496 531 1HG1 VAL 69 1HG1 VAL 69 -8.900 10.302 19.004 532 2HG1 VAL 69 2HG1 VAL 69 -7.396 9.461 19.385 533 3HG1 VAL 69 3HG1 VAL 69 -7.551 10.351 17.870 534 1HG2 VAL 69 1HG2 VAL 69 -9.538 7.919 16.073 535 2HG2 VAL 69 2HG2 VAL 69 -9.884 9.572 16.580 536 3HG2 VAL 69 3HG2 VAL 69 -8.306 9.170 15.902 537 H SER 70 H SER 70 -6.418 5.129 18.011 538 HA SER 70 HA SER 70 -8.481 3.572 16.817 539 1HB SER 70 1HB SER 70 -7.024 1.674 17.968 540 2HB SER 70 2HB SER 70 -6.440 2.538 16.546 541 HG SER 70 HG SER 70 -4.862 3.253 17.716 542 H ASP 71 H ASP 71 -8.161 4.915 19.870 543 HA ASP 71 HA ASP 71 -9.296 2.879 21.484 544 1HB ASP 71 1HB ASP 71 -9.368 5.873 21.913 545 2HB ASP 71 2HB ASP 71 -9.638 4.637 23.138 546 H LEU 72 H LEU 72 -10.616 4.825 19.068 547 HA LEU 72 HA LEU 72 -13.337 4.502 20.141 548 1HB LEU 72 1HB LEU 72 -14.028 6.327 18.861 549 2HB LEU 72 2HB LEU 72 -12.461 6.804 19.512 550 HG LEU 72 HG LEU 72 -11.619 5.887 17.173 551 1HD1 LEU 72 1HD1 LEU 72 -14.538 6.366 16.818 552 2HD1 LEU 72 2HD1 LEU 72 -13.499 5.136 16.098 553 3HD1 LEU 72 3HD1 LEU 72 -13.431 6.799 15.515 554 1HD2 LEU 72 1HD2 LEU 72 -11.623 8.146 16.368 555 2HD2 LEU 72 2HD2 LEU 72 -11.375 8.177 18.114 556 3HD2 LEU 72 3HD2 LEU 72 -12.956 8.576 17.439 557 H LEU 73 H LEU 73 -11.188 3.137 18.013 558 HA LEU 73 HA LEU 73 -13.227 2.318 16.082 559 1HB LEU 73 1HB LEU 73 -10.301 1.620 16.064 560 2HB LEU 73 2HB LEU 73 -11.446 1.504 14.729 561 HG LEU 73 HG LEU 73 -10.622 4.124 15.966 562 1HD1 LEU 73 1HD1 LEU 73 -8.880 4.348 14.496 563 2HD1 LEU 73 2HD1 LEU 73 -9.543 3.176 13.357 564 3HD1 LEU 73 3HD1 LEU 73 -8.784 2.623 14.849 565 1HD2 LEU 73 1HD2 LEU 73 -11.377 4.192 13.204 566 2HD2 LEU 73 2HD2 LEU 73 -12.105 5.022 14.580 567 3HD2 LEU 73 3HD2 LEU 73 -12.638 3.397 14.146 568 H THR 74 H THR 74 -11.531 1.178 18.838 569 HA THR 74 HA THR 74 -11.909 -1.627 18.272 570 HB THR 74 HB THR 74 -11.356 -0.746 21.052 571 HG1 THR 74 1HG THR 74 -9.333 -0.014 20.583 572 1HG2 THR 74 1HG2 THR 74 -9.539 -2.521 20.692 573 2HG2 THR 74 2HG2 THR 74 -10.361 -2.868 19.170 574 3HG2 THR 74 3HG2 THR 74 -11.217 -3.062 20.700 575 H ASN 75 H ASN 75 -14.011 0.738 19.059 576 HA ASN 75 HA ASN 75 -15.660 -1.013 20.758 577 1HB ASN 75 1HB ASN 75 -16.932 1.338 20.968 578 2HB ASN 75 2HB ASN 75 -15.592 0.889 22.020 579 1HD2 ASN 75 1HD2 ASN 75 -16.783 3.180 19.909 580 2HD2 ASN 75 2HD2 ASN 75 -15.336 4.092 19.663 581 H MET 76 H MET 76 -15.265 -0.221 17.628 582 HA MET 76 HA MET 76 -18.151 -0.375 17.048 583 1HB MET 76 1HB MET 76 -17.593 0.682 14.858 584 2HB MET 76 2HB MET 76 -17.284 1.719 16.245 585 1HG MET 76 1HG MET 76 -14.969 1.476 16.060 586 2HG MET 76 2HG MET 76 -15.113 0.064 15.015 587 1HE MET 76 1HE MET 76 -16.129 4.175 14.717 588 2HE MET 76 2HE MET 76 -14.695 3.555 15.535 589 3HE MET 76 3HE MET 76 -14.549 4.300 13.943 590 H GLY 77 H GLY 77 -15.005 -1.734 16.510 591 1HA GLY 77 2HA GLY 77 -15.219 -4.206 16.010 592 2HA GLY 77 1HA GLY 77 -16.180 -3.687 14.633 593 H ILE 78 H ILE 78 -13.844 -1.408 15.047 594 HA ILE 78 HA ILE 78 -12.144 -2.678 13.012 595 HB ILE 78 HB ILE 78 -12.555 0.236 13.680 596 1HG1 ILE 78 1HG1 ILE 78 -13.185 -1.380 11.200 597 2HG1 ILE 78 2HG1 ILE 78 -14.361 -0.809 12.378 598 1HG2 ILE 78 1HG2 ILE 78 -10.669 -1.043 11.708 599 2HG2 ILE 78 2HG2 ILE 78 -11.056 0.676 11.754 600 3HG2 ILE 78 3HG2 ILE 78 -10.238 -0.079 13.121 601 1HD1 ILE 78 1HD1 ILE 78 -12.987 1.472 11.608 602 2HD1 ILE 78 2HD1 ILE 78 -13.207 0.552 10.119 603 3HD1 ILE 78 3HD1 ILE 78 -14.604 0.982 11.104 604 H ASP 79 H ASP 79 -10.494 -3.683 13.993 605 HA ASP 79 HA ASP 79 -9.180 -2.425 16.279 606 1HB ASP 79 1HB ASP 79 -9.756 -5.076 15.641 607 2HB ASP 79 2HB ASP 79 -8.018 -4.937 15.392 608 H LEU 80 H LEU 80 -7.175 -1.569 16.224 609 HA LEU 80 HA LEU 80 -5.937 -1.253 13.607 610 1HB LEU 80 1HB LEU 80 -6.335 0.502 15.612 611 2HB LEU 80 2HB LEU 80 -4.700 -0.033 15.993 612 HG LEU 80 HG LEU 80 -4.743 2.035 14.661 613 1HD1 LEU 80 1HD1 LEU 80 -3.629 -0.235 13.033 614 2HD1 LEU 80 2HD1 LEU 80 -2.891 0.334 14.530 615 3HD1 LEU 80 3HD1 LEU 80 -3.030 1.420 13.148 616 1HD2 LEU 80 1HD2 LEU 80 -6.666 0.567 13.141 617 2HD2 LEU 80 2HD2 LEU 80 -5.322 1.023 12.094 618 3HD2 LEU 80 3HD2 LEU 80 -6.195 2.261 12.999 619 H ASP 81 H ASP 81 -5.305 -2.719 16.728 620 HA ASP 81 HA ASP 81 -2.571 -3.320 16.291 621 1HB ASP 81 1HB ASP 81 -4.613 -3.947 18.286 622 2HB ASP 81 2HB ASP 81 -3.487 -5.275 18.020 623 H GLU 82 H GLU 82 -5.496 -4.735 15.163 624 HA GLU 82 HA GLU 82 -4.380 -7.323 14.587 625 1HB GLU 82 1HB GLU 82 -6.484 -7.914 13.809 626 2HB GLU 82 2HB GLU 82 -6.863 -6.688 15.010 627 1HG GLU 82 1HG GLU 82 -6.813 -5.047 13.023 628 2HG GLU 82 2HG GLU 82 -6.956 -6.496 12.029 629 H TRP 83 H TRP 83 -4.779 -4.290 12.913 630 HA TRP 83 HA TRP 83 -4.542 -5.044 10.269 631 1HB TRP 83 1HB TRP 83 -3.538 -2.617 11.745 632 2HB TRP 83 2HB TRP 83 -3.323 -2.797 10.006 633 HD1 TRP 83 HD TRP 83 -6.572 -4.205 11.193 634 HE1 TRP 83 1HE TRP 83 -8.497 -2.611 10.577 635 HE3 TRP 83 3HE TRP 83 -3.830 -0.122 9.796 636 HZ2 TRP 83 2HZ TRP 83 -8.811 0.028 9.624 637 HZ3 TRP 83 3HZ TRP 83 -5.019 1.896 9.044 638 HH2 TRP 83 HH TRP 83 -7.458 1.967 8.960 639 H SER 84 H SER 84 -1.997 -4.640 12.686 640 HA SER 84 HA SER 84 0.159 -5.067 10.875 641 1HB SER 84 1HB SER 84 1.553 -4.858 12.713 642 2HB SER 84 2HB SER 84 0.123 -3.998 13.282 643 HG SER 84 HG SER 84 0.482 -5.365 14.899 644 H VAL 85 H VAL 85 -1.801 -7.146 12.909 645 HA VAL 85 HA VAL 85 -0.253 -9.479 12.001 646 HB VAL 85 HB VAL 85 -1.279 -10.723 13.836 647 1HG1 VAL 85 1HG1 VAL 85 0.810 -9.249 14.096 648 2HG1 VAL 85 2HG1 VAL 85 -0.237 -8.176 15.028 649 3HG1 VAL 85 3HG1 VAL 85 0.021 -9.838 15.559 650 1HG2 VAL 85 1HG2 VAL 85 -2.368 -8.485 15.304 651 2HG2 VAL 85 2HG2 VAL 85 -3.204 -8.712 13.767 652 3HG2 VAL 85 3HG2 VAL 85 -3.102 -10.043 14.920 653 H ALA 86 H ALA 86 -2.045 -8.243 10.218 654 HA ALA 86 HA ALA 86 -4.168 -10.282 10.043 655 1HB ALA 86 1HB ALA 86 -5.497 -8.465 10.273 656 2HB ALA 86 2HB ALA 86 -4.268 -7.351 9.672 657 3HB ALA 86 3HB ALA 86 -5.203 -8.327 8.539 658 H THR 87 H THR 87 -5.003 -10.415 7.681 659 HA THR 87 HA THR 87 -2.655 -10.878 6.002 660 HB THR 87 HB THR 87 -5.460 -11.696 5.289 661 HG1 THR 87 1HG THR 87 -3.635 -13.187 6.896 662 1HG2 THR 87 1HG2 THR 87 -2.722 -12.806 4.660 663 2HG2 THR 87 2HG2 THR 87 -3.801 -11.959 3.551 664 3HG2 THR 87 3HG2 THR 87 -4.244 -13.549 4.170 665 H PHE 88 H PHE 88 -2.080 -9.207 4.771 666 HA PHE 88 HA PHE 88 -4.115 -7.406 3.708 667 1HB PHE 88 1HB PHE 88 -1.178 -7.263 4.143 668 2HB PHE 88 2HB PHE 88 -1.833 -6.334 2.799 669 HD1 PHE 88 1HD PHE 88 -3.284 -7.042 6.149 670 HD2 PHE 88 2HD PHE 88 -1.743 -4.121 3.464 671 HE1 PHE 88 1HE PHE 88 -3.948 -5.261 7.711 672 HE2 PHE 88 2HE PHE 88 -2.403 -2.335 5.022 673 HZ PHE 88 HZ PHE 88 -3.506 -2.904 7.149 674 H TYR 89 H TYR 89 -4.854 -7.540 1.698 675 HA TYR 89 HA TYR 89 -3.318 -9.132 -0.250 676 1HB TYR 89 1HB TYR 89 -6.302 -8.830 0.097 677 2HB TYR 89 2HB TYR 89 -5.569 -9.540 -1.338 678 HD1 TYR 89 1HD TYR 89 -6.653 -10.116 2.034 679 HD2 TYR 89 2HD TYR 89 -4.139 -11.616 -1.054 680 HE1 TYR 89 1HE TYR 89 -6.586 -12.302 3.159 681 HE2 TYR 89 2HE TYR 89 -4.066 -13.807 0.062 682 HH TYR 89 HH TYR 89 -4.369 -14.694 2.395 683 H LEU 90 H LEU 90 -3.386 -8.462 -2.455 684 HA LEU 90 HA LEU 90 -4.280 -5.703 -2.911 685 1HB LEU 90 1HB LEU 90 -1.584 -6.839 -3.636 686 2HB LEU 90 2HB LEU 90 -2.200 -5.284 -4.194 687 HG LEU 90 HG LEU 90 -2.341 -5.344 -1.347 688 1HD1 LEU 90 1HD1 LEU 90 0.282 -5.380 -1.166 689 2HD1 LEU 90 2HD1 LEU 90 0.137 -6.485 -2.533 690 3HD1 LEU 90 3HD1 LEU 90 -0.665 -6.860 -1.007 691 1HD2 LEU 90 1HD2 LEU 90 -2.185 -3.350 -2.754 692 2HD2 LEU 90 2HD2 LEU 90 -0.555 -3.817 -3.241 693 3HD2 LEU 90 3HD2 LEU 90 -0.888 -3.398 -1.559 694 H PHE 91 H PHE 91 -5.012 -5.256 -4.961 695 HA PHE 91 HA PHE 91 -4.876 -7.402 -6.957 696 1HB PHE 91 1HB PHE 91 -7.262 -6.442 -5.570 697 2HB PHE 91 2HB PHE 91 -7.410 -6.358 -7.322 698 HD1 PHE 91 1HD PHE 91 -7.991 -8.361 -4.566 699 HD2 PHE 91 2HD PHE 91 -6.474 -8.566 -8.538 700 HE1 PHE 91 1HE PHE 91 -8.499 -10.768 -4.633 701 HE2 PHE 91 2HE PHE 91 -6.980 -10.973 -8.611 702 HZ PHE 91 HZ PHE 91 -7.995 -12.076 -6.657 703 H ASP 92 H ASP 92 -6.109 -6.451 -9.045 704 HA ASP 92 HA ASP 92 -5.063 -3.729 -9.473 705 1HB ASP 92 1HB ASP 92 -4.180 -6.099 -10.704 706 2HB ASP 92 2HB ASP 92 -5.144 -5.261 -11.917 707 H ASP 93 H ASP 93 -5.974 -3.285 -12.010 708 HA ASP 93 HA ASP 93 -8.783 -2.853 -11.527 709 1HB ASP 93 1HB ASP 93 -6.782 -1.585 -13.044 710 2HB ASP 93 2HB ASP 93 -7.958 -2.184 -14.210 711 H ALA 94 H ALA 94 -6.906 -5.248 -13.031 712 HA ALA 94 HA ALA 94 -9.098 -6.127 -14.761 713 1HB ALA 94 1HB ALA 94 -7.509 -7.642 -15.761 714 2HB ALA 94 2HB ALA 94 -6.814 -6.022 -15.697 715 3HB ALA 94 3HB ALA 94 -6.308 -7.245 -14.531 716 H GLY 95 H GLY 95 -8.329 -6.474 -11.628 717 1HA GLY 95 2HA GLY 95 -9.211 -7.921 -10.051 718 2HA GLY 95 1HA GLY 95 -9.885 -8.880 -11.360 719 H GLU 96 H GLU 96 -6.492 -8.052 -11.190 720 HA GLU 96 HA GLU 96 -5.881 -10.818 -10.391 721 1HB GLU 96 1HB GLU 96 -4.077 -10.895 -12.029 722 2HB GLU 96 2HB GLU 96 -5.616 -10.596 -12.823 723 1HG GLU 96 1HG GLU 96 -5.086 -8.240 -13.023 724 2HG GLU 96 2HG GLU 96 -3.568 -8.492 -12.164 725 H GLU 97 H GLU 97 -3.667 -11.103 -9.569 726 HA GLU 97 HA GLU 97 -3.003 -8.970 -7.752 727 1HB GLU 97 1HB GLU 97 -2.477 -11.808 -7.971 728 2HB GLU 97 2HB GLU 97 -1.005 -10.925 -7.596 729 1HG GLU 97 1HG GLU 97 -1.679 -10.419 -5.520 730 2HG GLU 97 2HG GLU 97 -3.347 -10.139 -6.017 731 H ASN 98 H ASN 98 -2.338 -7.330 -9.220 732 HA ASN 98 HA ASN 98 0.368 -7.766 -10.301 733 1HB ASN 98 1HB ASN 98 -2.038 -6.564 -11.558 734 2HB ASN 98 2HB ASN 98 -0.504 -5.758 -11.867 735 1HD2 ASN 98 1HD2 ASN 98 -1.766 -9.074 -11.710 736 2HD2 ASN 98 2HD2 ASN 98 -0.988 -9.617 -13.154 737 H PHE 99 H PHE 99 1.625 -5.723 -10.541 738 HA PHE 99 HA PHE 99 0.970 -3.836 -8.374 739 1HB PHE 99 1HB PHE 99 3.520 -3.531 -8.255 740 2HB PHE 99 2HB PHE 99 2.847 -5.015 -7.589 741 HD1 PHE 99 1HD PHE 99 4.936 -3.557 -10.173 742 HD2 PHE 99 2HD PHE 99 3.117 -7.142 -8.775 743 HE1 PHE 99 1HE PHE 99 6.430 -4.875 -11.619 744 HE2 PHE 99 2HE PHE 99 4.607 -8.466 -10.217 745 HZ PHE 99 HZ PHE 99 6.267 -7.332 -11.641 746 H SER 100 H SER 100 -0.129 -3.039 -10.553 747 HA SER 100 HA SER 100 1.636 -1.601 -12.317 748 1HB SER 100 1HB SER 100 -0.594 -2.628 -12.982 749 2HB SER 100 2HB SER 100 -1.363 -1.295 -12.122 750 HG SER 100 HG SER 100 -0.853 -1.121 -14.517 751 H SER 101 H SER 101 0.406 0.779 -12.771 752 HA SER 101 HA SER 101 1.536 2.498 -10.936 753 1HB SER 101 1HB SER 101 -0.151 2.731 -13.247 754 2HB SER 101 2HB SER 101 -0.716 3.846 -12.003 755 HG SER 101 HG SER 101 0.905 4.777 -13.327 756 H ARG 102 H ARG 102 -1.657 1.046 -10.923 757 HA ARG 102 HA ARG 102 -2.135 2.267 -8.284 758 1HB ARG 102 1HB ARG 102 -3.690 3.197 -9.899 759 2HB ARG 102 2HB ARG 102 -4.150 1.586 -10.431 760 1HG ARG 102 1HG ARG 102 -5.190 1.121 -8.321 761 2HG ARG 102 2HG ARG 102 -4.596 2.640 -7.649 762 1HD ARG 102 1HD ARG 102 -6.625 2.271 -9.845 763 2HD ARG 102 2HD ARG 102 -6.898 2.931 -8.233 764 HE ARG 102 HE ARG 102 -5.036 4.591 -9.305 765 1HH1 ARG 102 2HH1 ARG 102 -8.168 3.474 -10.334 766 2HH1 ARG 102 1HH1 ARG 102 -8.538 4.919 -11.217 767 1HH2 ARG 102 2HH2 ARG 102 -5.511 6.498 -10.463 768 2HH2 ARG 102 1HH2 ARG 102 -7.025 6.638 -11.290 769 H MET 103 H MET 103 -3.102 0.972 -6.697 770 HA MET 103 HA MET 103 -3.472 -1.863 -7.318 771 1HB MET 103 1HB MET 103 -1.345 -0.713 -5.647 772 2HB MET 103 2HB MET 103 -2.243 -2.014 -4.877 773 1HG MET 103 1HG MET 103 -1.736 -3.497 -6.720 774 2HG MET 103 2HG MET 103 -0.906 -2.193 -7.566 775 1HE MET 103 1HE MET 103 0.416 -5.113 -4.594 776 2HE MET 103 2HE MET 103 -0.806 -5.090 -5.865 777 3HE MET 103 3HE MET 103 0.895 -5.302 -6.281 778 H TYR 104 H TYR 104 -5.028 -2.868 -6.116 779 HA TYR 104 HA TYR 104 -6.532 -1.142 -4.274 780 1HB TYR 104 1HB TYR 104 -7.371 -3.542 -5.904 781 2HB TYR 104 2HB TYR 104 -8.398 -2.795 -4.686 782 HD1 TYR 104 1HD TYR 104 -8.457 -0.074 -5.006 783 HD2 TYR 104 2HD TYR 104 -7.858 -2.961 -8.073 784 HE1 TYR 104 1HE TYR 104 -9.270 1.540 -6.676 785 HE2 TYR 104 2HE TYR 104 -8.668 -1.356 -9.751 786 HH TYR 104 HH TYR 104 -10.403 0.928 -9.424 787 H CYS 105 H CYS 105 -6.187 -1.507 -2.193 788 HA CYS 105 HA CYS 105 -5.132 -4.048 -1.285 789 1HB CYS 105 1HB CYS 105 -4.163 -2.053 -0.333 790 2HB CYS 105 2HB CYS 105 -5.746 -1.469 0.167 791 HG CYS 105 HG CYS 105 -5.646 -4.262 1.628 792 H SER 106 H SER 106 -6.694 -5.589 -1.333 793 HA SER 106 HA SER 106 -9.289 -5.014 -0.111 794 1HB SER 106 1HB SER 106 -9.336 -7.652 -0.990 795 2HB SER 106 2HB SER 106 -9.974 -6.255 -1.857 796 HG SER 106 HG SER 106 -7.892 -6.044 -2.830 797 H PHE 107 H PHE 107 -10.189 -6.401 1.494 798 HA PHE 107 HA PHE 107 -8.148 -7.502 3.278 799 1HB PHE 107 1HB PHE 107 -10.300 -5.864 3.776 800 2HB PHE 107 2HB PHE 107 -10.911 -7.443 4.259 801 HD1 PHE 107 1HD PHE 107 -9.970 -4.749 5.784 802 HD2 PHE 107 2HD PHE 107 -8.454 -8.697 5.306 803 HE1 PHE 107 1HE PHE 107 -8.780 -4.548 7.928 804 HE2 PHE 107 2HE PHE 107 -7.262 -8.503 7.449 805 HZ PHE 107 HZ PHE 107 -7.425 -6.427 8.764 806 H TYR 108 H TYR 108 -8.820 -9.003 0.973 807 HA TYR 108 HA TYR 108 -9.522 -11.495 2.225 808 1HB TYR 108 1HB TYR 108 -11.427 -12.024 0.823 809 2HB TYR 108 2HB TYR 108 -11.751 -10.536 1.705 810 HD1 TYR 108 1HD TYR 108 -11.536 -12.079 -1.524 811 HD2 TYR 108 2HD TYR 108 -11.454 -8.328 0.483 812 HE1 TYR 108 1HE TYR 108 -12.044 -10.941 -3.644 813 HE2 TYR 108 2HE TYR 108 -11.963 -7.179 -1.632 814 HH TYR 108 HH TYR 108 -12.784 -8.953 -4.536 815 HA PRO 109 HA PRO 109 -6.846 -13.089 -0.867 816 1HB PRO 109 1HB PRO 109 -7.810 -15.610 -1.156 817 2HB PRO 109 2HB PRO 109 -6.912 -15.083 0.272 818 1HG PRO 109 1HG PRO 109 -9.868 -15.356 -0.112 819 2HG PRO 109 2HG PRO 109 -8.872 -15.826 1.278 820 1HD PRO 109 1HD PRO 109 -10.333 -13.547 1.237 821 2HD PRO 109 2HD PRO 109 -8.791 -13.677 2.107 822 HA PRO 110 HA PRO 110 -8.568 -12.841 -4.905 823 1HB PRO 110 1HB PRO 110 -7.122 -14.675 -6.288 824 2HB PRO 110 2HB PRO 110 -6.446 -13.138 -5.735 825 1HG PRO 110 1HG PRO 110 -6.210 -15.861 -4.513 826 2HG PRO 110 2HG PRO 110 -4.962 -14.620 -4.729 827 1HD PRO 110 1HD PRO 110 -6.214 -15.031 -2.364 828 2HD PRO 110 2HD PRO 110 -5.649 -13.429 -2.879 829 H ASP 111 H ASP 111 -8.047 -16.251 -3.992 830 HA ASP 111 HA ASP 111 -10.731 -17.002 -4.134 831 1HB ASP 111 1HB ASP 111 -9.489 -16.751 -6.707 832 2HB ASP 111 2HB ASP 111 -9.848 -18.448 -6.405 833 H GLU 112 H GLU 112 -7.373 -17.926 -4.539 834 HA GLU 112 HA GLU 112 -7.500 -20.660 -4.193 835 1HB GLU 112 1HB GLU 112 -5.489 -18.603 -3.941 836 2HB GLU 112 2HB GLU 112 -5.276 -19.825 -2.695 837 1HG GLU 112 1HG GLU 112 -4.722 -21.446 -4.176 838 2HG GLU 112 2HG GLU 112 -5.740 -20.784 -5.453 Start of MODEL 9 1 1H ALA 1 1H ALA 1 14.443 12.400 -6.819 2 HA ALA 1 HA ALA 1 13.066 10.595 -7.015 3 1HB ALA 1 1HB ALA 1 14.090 10.994 -9.612 4 2HB ALA 1 2HB ALA 1 14.119 9.257 -9.306 5 3HB ALA 1 3HB ALA 1 12.611 10.156 -9.140 6 HA PRO 2 HA PRO 2 15.136 7.202 -5.157 7 1HB PRO 2 1HB PRO 2 13.542 5.108 -5.823 8 2HB PRO 2 2HB PRO 2 13.068 6.341 -4.648 9 1HG PRO 2 1HG PRO 2 12.318 6.088 -7.535 10 2HG PRO 2 2HG PRO 2 11.298 6.508 -6.147 11 1HD PRO 2 1HD PRO 2 12.277 8.370 -7.851 12 2HD PRO 2 2HD PRO 2 12.008 8.700 -6.127 13 H ILE 3 H ILE 3 16.872 7.609 -6.891 14 HA ILE 3 HA ILE 3 16.975 5.650 -9.019 15 HB ILE 3 HB ILE 3 19.162 7.537 -8.150 16 1HG1 ILE 3 1HG1 ILE 3 17.010 7.970 -10.233 17 2HG1 ILE 3 2HG1 ILE 3 17.076 8.764 -8.663 18 1HG2 ILE 3 1HG2 ILE 3 18.944 5.512 -10.177 19 2HG2 ILE 3 2HG2 ILE 3 19.213 7.092 -10.911 20 3HG2 ILE 3 3HG2 ILE 3 20.342 6.476 -9.703 21 1HD1 ILE 3 1HD1 ILE 3 19.291 9.712 -9.353 22 2HD1 ILE 3 2HD1 ILE 3 18.968 9.088 -10.971 23 3HD1 ILE 3 3HD1 ILE 3 17.897 10.297 -10.261 24 H LYS 4 H LYS 4 18.399 3.935 -9.177 25 HA LYS 4 HA LYS 4 18.967 2.472 -6.892 26 1HB LYS 4 1HB LYS 4 19.982 0.920 -8.281 27 2HB LYS 4 2HB LYS 4 18.940 1.781 -9.406 28 1HG LYS 4 1HG LYS 4 21.872 2.337 -9.003 29 2HG LYS 4 2HG LYS 4 21.192 1.358 -10.304 30 1HD LYS 4 1HD LYS 4 20.549 4.263 -9.798 31 2HD LYS 4 2HD LYS 4 21.687 3.671 -11.011 32 1HE LYS 4 1HE LYS 4 19.826 2.384 -12.040 33 2HE LYS 4 2HE LYS 4 18.721 3.137 -10.890 34 1HZ LYS 4 1HZ LYS 4 19.340 4.120 -13.328 35 2HZ LYS 4 2HZ LYS 4 20.359 5.019 -12.322 36 3HZ LYS 4 3HZ LYS 4 18.689 5.024 -12.055 37 H GLY 5 H GLY 5 20.820 2.095 -5.678 38 1HA GLY 5 2HA GLY 5 22.656 2.810 -4.484 39 2HA GLY 5 1HA GLY 5 23.385 2.958 -6.076 40 H VAL 6 H VAL 6 23.765 4.950 -6.921 41 HA VAL 6 HA VAL 6 22.592 7.304 -5.682 42 HB VAL 6 HB VAL 6 25.590 7.163 -5.873 43 1HG1 VAL 6 1HG1 VAL 6 25.042 9.378 -5.688 44 2HG1 VAL 6 2HG1 VAL 6 23.573 9.052 -4.767 45 3HG1 VAL 6 3HG1 VAL 6 25.149 8.942 -3.983 46 1HG2 VAL 6 1HG2 VAL 6 23.880 6.508 -3.476 47 2HG2 VAL 6 2HG2 VAL 6 24.948 5.403 -4.340 48 3HG2 VAL 6 3HG2 VAL 6 25.625 6.758 -3.437 49 H THR 7 H THR 7 22.697 5.912 -8.335 50 HA THR 7 HA THR 7 24.224 7.553 -10.101 51 HB THR 7 HB THR 7 21.829 5.906 -10.901 52 HG1 THR 7 1HG THR 7 24.458 4.872 -10.830 53 1HG2 THR 7 1HG2 THR 7 23.527 5.539 -12.874 54 2HG2 THR 7 2HG2 THR 7 24.227 7.041 -12.270 55 3HG2 THR 7 3HG2 THR 7 22.544 7.000 -12.797 56 H PHE 8 H PHE 8 23.338 8.962 -11.751 57 HA PHE 8 HA PHE 8 20.676 9.985 -11.497 58 1HB PHE 8 1HB PHE 8 21.229 12.237 -10.791 59 2HB PHE 8 2HB PHE 8 21.803 11.095 -9.580 60 HD1 PHE 8 1HD PHE 8 24.250 10.483 -9.566 61 HD2 PHE 8 2HD PHE 8 22.692 13.738 -11.823 62 HE1 PHE 8 1HE PHE 8 26.507 11.453 -9.720 63 HE2 PHE 8 2HE PHE 8 24.946 14.712 -11.982 64 HZ PHE 8 HZ PHE 8 26.857 13.569 -10.930 65 H GLY 9 H GLY 9 20.027 10.844 -13.385 66 1HA GLY 9 2HA GLY 9 20.113 11.731 -15.508 67 2HA GLY 9 1HA GLY 9 21.751 12.263 -15.155 68 H GLU 10 H GLU 10 20.028 9.181 -15.677 69 HA GLU 10 HA GLU 10 22.352 8.244 -17.210 70 1HB GLU 10 1HB GLU 10 20.270 6.898 -15.570 71 2HB GLU 10 2HB GLU 10 20.878 6.022 -16.968 72 1HG GLU 10 1HG GLU 10 22.690 7.206 -14.888 73 2HG GLU 10 2HG GLU 10 22.024 5.578 -14.763 74 H ASP 11 H ASP 11 18.801 8.333 -17.322 75 HA ASP 11 HA ASP 11 18.753 8.936 -20.093 76 1HB ASP 11 1HB ASP 11 19.288 6.356 -19.851 77 2HB ASP 11 2HB ASP 11 17.550 6.249 -19.588 78 H THR 12 H THR 12 16.695 7.002 -17.914 79 HA THR 12 HA THR 12 14.854 9.126 -17.462 80 HB THR 12 HB THR 12 14.258 8.557 -19.810 81 HG1 THR 12 1HG THR 12 12.315 9.106 -19.200 82 1HG2 THR 12 1HG2 THR 12 14.806 6.081 -19.477 83 2HG2 THR 12 2HG2 THR 12 13.366 6.465 -20.420 84 3HG2 THR 12 3HG2 THR 12 13.209 5.949 -18.741 85 H VAL 13 H VAL 13 12.786 8.240 -16.409 86 HA VAL 13 HA VAL 13 13.609 6.292 -14.425 87 HB VAL 13 HB VAL 13 10.869 7.488 -14.476 88 1HG1 VAL 13 1HG1 VAL 13 11.360 7.573 -11.997 89 2HG1 VAL 13 2HG1 VAL 13 11.256 5.962 -12.710 90 3HG1 VAL 13 3HG1 VAL 13 12.832 6.668 -12.349 91 1HG2 VAL 13 1HG2 VAL 13 13.435 8.949 -13.989 92 2HG2 VAL 13 2HG2 VAL 13 12.007 9.467 -14.886 93 3HG2 VAL 13 3HG2 VAL 13 11.968 9.408 -13.124 94 H TRP 14 H TRP 14 12.091 4.566 -13.751 95 HA TRP 14 HA TRP 14 10.935 2.655 -14.179 96 1HB TRP 14 1HB TRP 14 9.646 4.462 -16.228 97 2HB TRP 14 2HB TRP 14 9.110 2.810 -15.929 98 HD1 TRP 14 HD TRP 14 9.642 6.050 -13.844 99 HE1 TRP 14 1HE TRP 14 7.772 6.164 -12.080 100 HE3 TRP 14 3HE TRP 14 7.283 1.633 -14.876 101 HZ2 TRP 14 2HZ TRP 14 5.586 4.590 -11.237 102 HZ3 TRP 14 3HZ TRP 14 5.309 1.011 -13.544 103 HH2 TRP 14 HH TRP 14 4.480 2.460 -11.762 104 H GLU 15 H GLU 15 13.418 3.503 -15.773 105 HA GLU 15 HA GLU 15 13.275 1.270 -17.666 106 1HB GLU 15 1HB GLU 15 14.001 4.108 -18.281 107 2HB GLU 15 2HB GLU 15 14.793 2.808 -19.161 108 1HG GLU 15 1HG GLU 15 12.087 2.174 -19.240 109 2HG GLU 15 2HG GLU 15 12.156 3.917 -19.494 110 H VAL 16 H VAL 16 15.278 3.553 -15.868 111 HA VAL 16 HA VAL 16 17.399 1.507 -15.783 112 HB VAL 16 HB VAL 16 18.031 3.496 -17.154 113 1HG1 VAL 16 1HG1 VAL 16 17.971 5.619 -16.393 114 2HG1 VAL 16 2HG1 VAL 16 16.755 4.971 -15.290 115 3HG1 VAL 16 3HG1 VAL 16 18.426 5.157 -14.753 116 1HG2 VAL 16 1HG2 VAL 16 20.158 3.972 -15.708 117 2HG2 VAL 16 2HG2 VAL 16 19.511 2.684 -14.691 118 3HG2 VAL 16 3HG2 VAL 16 19.886 2.367 -16.385 119 H GLN 17 H GLN 17 15.571 3.951 -14.085 120 HA GLN 17 HA GLN 17 16.926 4.166 -11.701 121 1HB GLN 17 1HB GLN 17 15.099 5.562 -11.804 122 2HB GLN 17 2HB GLN 17 14.047 4.314 -12.457 123 1HG GLN 17 1HG GLN 17 13.710 3.342 -10.346 124 2HG GLN 17 2HG GLN 17 15.051 4.237 -9.633 125 1HE2 GLN 17 1HE2 GLN 17 11.738 4.329 -10.606 126 2HE2 GLN 17 2HE2 GLN 17 11.352 5.856 -9.897 127 H GLY 18 H GLY 18 14.712 1.608 -12.734 128 1HA GLY 18 2HA GLY 18 14.637 -0.598 -12.032 129 2HA GLY 18 1HA GLY 18 15.944 -0.248 -10.909 130 H TYR 19 H TYR 19 12.947 1.566 -11.021 131 HA TYR 19 HA TYR 19 11.847 0.134 -8.748 132 1HB TYR 19 1HB TYR 19 12.874 2.959 -8.576 133 2HB TYR 19 2HB TYR 19 11.602 2.378 -7.508 134 HD1 TYR 19 1HD TYR 19 15.026 2.873 -7.765 135 HD2 TYR 19 2HD TYR 19 12.207 0.003 -6.382 136 HE1 TYR 19 1HE TYR 19 16.729 1.935 -6.258 137 HE2 TYR 19 2HE TYR 19 13.901 -0.943 -4.871 138 HH TYR 19 HH TYR 19 16.964 -0.649 -5.131 139 H LYS 20 H LYS 20 9.671 0.823 -8.212 140 HA LYS 20 HA LYS 20 8.359 2.411 -10.310 141 1HB LYS 20 1HB LYS 20 7.729 -0.376 -9.424 142 2HB LYS 20 2HB LYS 20 6.416 0.673 -9.941 143 1HG LYS 20 1HG LYS 20 6.955 -0.417 -11.890 144 2HG LYS 20 2HG LYS 20 7.899 1.067 -12.034 145 1HD LYS 20 1HD LYS 20 9.897 -0.007 -11.671 146 2HD LYS 20 2HD LYS 20 9.150 -1.306 -10.737 147 1HE LYS 20 1HE LYS 20 9.806 -2.290 -12.772 148 2HE LYS 20 2HE LYS 20 8.065 -2.046 -12.908 149 1HZ LYS 20 1HZ LYS 20 8.941 -1.311 -14.925 150 2HZ LYS 20 2HZ LYS 20 10.236 -0.506 -14.194 151 3HZ LYS 20 3HZ LYS 20 8.669 0.117 -14.059 152 H ASN 21 H ASN 21 6.095 3.034 -9.667 153 HA ASN 21 HA ASN 21 5.886 3.408 -6.754 154 1HB ASN 21 1HB ASN 21 5.091 5.483 -8.802 155 2HB ASN 21 2HB ASN 21 5.151 5.674 -7.052 156 1HD2 ASN 21 1HD2 ASN 21 7.065 5.285 -9.954 157 2HD2 ASN 21 2HD2 ASN 21 8.530 5.932 -9.304 158 H VAL 22 H VAL 22 4.210 2.197 -6.149 159 HA VAL 22 HA VAL 22 1.807 2.158 -7.848 160 HB VAL 22 HB VAL 22 2.794 -0.050 -7.405 161 1HG1 VAL 22 1HG1 VAL 22 2.831 -0.995 -5.184 162 2HG1 VAL 22 2HG1 VAL 22 3.765 0.502 -5.198 163 3HG1 VAL 22 3HG1 VAL 22 2.142 0.481 -4.509 164 1HG2 VAL 22 1HG2 VAL 22 0.765 -1.003 -7.343 165 2HG2 VAL 22 2HG2 VAL 22 0.362 -0.274 -5.789 166 3HG2 VAL 22 3HG2 VAL 22 0.160 0.653 -7.275 167 H ARG 23 H ARG 23 -0.224 2.533 -6.959 168 HA ARG 23 HA ARG 23 -0.260 3.599 -4.215 169 1HB ARG 23 1HB ARG 23 -0.338 5.297 -6.206 170 2HB ARG 23 2HB ARG 23 -2.009 4.767 -6.348 171 1HG ARG 23 1HG ARG 23 -2.599 6.149 -4.728 172 2HG ARG 23 2HG ARG 23 -1.491 5.343 -3.616 173 1HD ARG 23 1HD ARG 23 0.075 6.951 -3.810 174 2HD ARG 23 2HD ARG 23 -0.222 7.173 -5.533 175 HE ARG 23 HE ARG 23 -1.274 8.741 -3.422 176 1HH1 ARG 23 2HH1 ARG 23 -2.102 7.395 -6.524 177 2HH1 ARG 23 1HH1 ARG 23 -3.262 8.627 -6.895 178 1HH2 ARG 23 2HH2 ARG 23 -2.799 10.369 -3.899 179 2HH2 ARG 23 1HH2 ARG 23 -3.657 10.318 -5.402 180 H ILE 24 H ILE 24 -2.485 3.700 -3.292 181 HA ILE 24 HA ILE 24 -4.179 1.528 -4.339 182 HB ILE 24 HB ILE 24 -4.765 1.497 -1.686 183 1HG1 ILE 24 1HG1 ILE 24 -2.734 3.114 -1.472 184 2HG1 ILE 24 2HG1 ILE 24 -2.888 1.778 -0.336 185 1HG2 ILE 24 1HG2 ILE 24 -4.470 -0.527 -2.783 186 2HG2 ILE 24 2HG2 ILE 24 -2.855 -0.100 -3.346 187 3HG2 ILE 24 3HG2 ILE 24 -3.121 -0.495 -1.648 188 1HD1 ILE 24 1HD1 ILE 24 -0.618 2.347 -1.580 189 2HD1 ILE 24 2HD1 ILE 24 -1.076 0.698 -1.153 190 3HD1 ILE 24 3HD1 ILE 24 -1.325 1.285 -2.797 191 H THR 25 H THR 25 -6.403 1.772 -4.136 192 HA THR 25 HA THR 25 -7.499 4.127 -2.857 193 HB THR 25 HB THR 25 -8.084 3.780 -5.790 194 HG1 THR 25 1HG THR 25 -5.982 4.336 -5.896 195 1HG2 THR 25 1HG2 THR 25 -9.686 5.225 -5.123 196 2HG2 THR 25 2HG2 THR 25 -8.382 6.410 -5.184 197 3HG2 THR 25 3HG2 THR 25 -8.821 5.660 -3.650 198 H PHE 26 H PHE 26 -7.775 1.282 -2.506 199 HA PHE 26 HA PHE 26 -10.434 0.663 -3.527 200 1HB PHE 26 1HB PHE 26 -8.586 -1.046 -3.512 201 2HB PHE 26 2HB PHE 26 -8.672 -1.036 -1.754 202 HD1 PHE 26 1HD PHE 26 -11.891 -0.491 -2.973 203 HD2 PHE 26 2HD PHE 26 -8.997 -3.571 -2.463 204 HE1 PHE 26 1HE PHE 26 -13.679 -2.180 -3.053 205 HE2 PHE 26 2HE PHE 26 -10.780 -5.265 -2.544 206 HZ PHE 26 HZ PHE 26 -13.124 -4.570 -2.840 207 H GLU 27 H GLU 27 -8.994 0.125 -0.318 208 HA GLU 27 HA GLU 27 -10.592 1.852 1.152 209 1HB GLU 27 1HB GLU 27 -12.068 -0.372 0.167 210 2HB GLU 27 2HB GLU 27 -11.883 -0.581 1.903 211 1HG GLU 27 1HG GLU 27 -13.212 1.169 2.396 212 2HG GLU 27 2HG GLU 27 -12.673 2.111 1.007 213 H LEU 28 H LEU 28 -10.737 1.160 3.521 214 HA LEU 28 HA LEU 28 -9.108 -0.937 4.490 215 1HB LEU 28 1HB LEU 28 -7.679 1.297 3.610 216 2HB LEU 28 2HB LEU 28 -7.724 1.437 5.366 217 HG LEU 28 HG LEU 28 -6.979 -1.148 5.099 218 1HD1 LEU 28 1HD1 LEU 28 -6.498 0.109 2.534 219 2HD1 LEU 28 2HD1 LEU 28 -6.378 -1.587 3.003 220 3HD1 LEU 28 3HD1 LEU 28 -5.013 -0.501 3.264 221 1HD2 LEU 28 1HD2 LEU 28 -5.709 0.075 6.548 222 2HD2 LEU 28 2HD2 LEU 28 -5.507 1.415 5.418 223 3HD2 LEU 28 3HD2 LEU 28 -4.571 -0.066 5.207 224 H ASP 29 H ASP 29 -10.008 2.422 5.277 225 HA ASP 29 HA ASP 29 -11.224 1.408 7.761 226 1HB ASP 29 1HB ASP 29 -8.972 2.963 7.710 227 2HB ASP 29 2HB ASP 29 -10.239 4.178 7.859 228 H GLU 30 H GLU 30 -12.539 3.466 8.724 229 HA GLU 30 HA GLU 30 -14.258 4.390 6.515 230 1HB GLU 30 1HB GLU 30 -14.950 3.397 9.265 231 2HB GLU 30 2HB GLU 30 -16.047 4.455 8.389 232 1HG GLU 30 1HG GLU 30 -15.449 2.530 6.529 233 2HG GLU 30 2HG GLU 30 -15.501 1.620 8.037 234 H ARG 31 H ARG 31 -12.750 5.182 9.582 235 HA ARG 31 HA ARG 31 -13.640 7.966 9.319 236 1HB ARG 31 1HB ARG 31 -12.980 6.218 11.577 237 2HB ARG 31 2HB ARG 31 -12.267 7.820 11.696 238 1HG ARG 31 1HG ARG 31 -14.417 7.731 12.819 239 2HG ARG 31 2HG ARG 31 -14.470 8.831 11.440 240 1HD ARG 31 1HD ARG 31 -15.197 6.095 10.751 241 2HD ARG 31 2HD ARG 31 -16.257 6.803 11.968 242 HE ARG 31 HE ARG 31 -15.819 8.568 9.771 243 1HH1 ARG 31 2HH1 ARG 31 -17.642 5.794 10.820 244 2HH1 ARG 31 1HH1 ARG 31 -18.963 6.090 9.740 245 1HH2 ARG 31 2HH2 ARG 31 -17.552 8.968 8.343 246 2HH2 ARG 31 1HH2 ARG 31 -18.911 7.895 8.330 247 H VAL 32 H VAL 32 -10.880 5.918 9.068 248 HA VAL 32 HA VAL 32 -9.202 8.281 8.549 249 HB VAL 32 HB VAL 32 -7.252 6.892 9.389 250 1HG1 VAL 32 1HG1 VAL 32 -9.357 8.193 11.000 251 2HG1 VAL 32 2HG1 VAL 32 -8.171 7.233 11.887 252 3HG1 VAL 32 3HG1 VAL 32 -7.639 8.566 10.860 253 1HG2 VAL 32 1HG2 VAL 32 -7.719 5.093 10.935 254 2HG2 VAL 32 2HG2 VAL 32 -9.454 5.301 10.701 255 3HG2 VAL 32 3HG2 VAL 32 -8.447 4.730 9.371 256 H ASP 33 H ASP 33 -10.646 6.874 6.599 257 HA ASP 33 HA ASP 33 -9.043 4.899 5.318 258 1HB ASP 33 1HB ASP 33 -11.622 5.583 5.073 259 2HB ASP 33 2HB ASP 33 -10.970 6.498 3.716 260 H LYS 34 H LYS 34 -9.678 8.329 4.601 261 HA LYS 34 HA LYS 34 -7.917 8.514 2.415 262 1HB LYS 34 1HB LYS 34 -8.457 10.733 2.371 263 2HB LYS 34 2HB LYS 34 -9.767 10.159 3.395 264 1HG LYS 34 1HG LYS 34 -7.189 11.375 4.369 265 2HG LYS 34 2HG LYS 34 -8.746 12.199 4.268 266 1HD LYS 34 1HD LYS 34 -9.270 9.863 5.689 267 2HD LYS 34 2HD LYS 34 -7.722 10.432 6.316 268 1HE LYS 34 1HE LYS 34 -9.108 12.751 6.228 269 2HE LYS 34 2HE LYS 34 -10.414 11.609 6.542 270 1HZ LYS 34 1HZ LYS 34 -9.151 12.638 8.515 271 2HZ LYS 34 2HZ LYS 34 -7.943 11.514 8.145 272 3HZ LYS 34 3HZ LYS 34 -9.497 10.982 8.550 273 H VAL 35 H VAL 35 -7.304 8.219 5.738 274 HA VAL 35 HA VAL 35 -4.921 9.700 5.998 275 HB VAL 35 HB VAL 35 -5.724 7.190 7.477 276 1HG1 VAL 35 1HG1 VAL 35 -3.485 9.108 7.763 277 2HG1 VAL 35 2HG1 VAL 35 -4.260 8.545 9.245 278 3HG1 VAL 35 3HG1 VAL 35 -3.554 7.383 8.121 279 1HG2 VAL 35 1HG2 VAL 35 -6.225 10.099 8.094 280 2HG2 VAL 35 2HG2 VAL 35 -7.434 8.878 7.698 281 3HG2 VAL 35 3HG2 VAL 35 -6.530 8.767 9.208 282 H LEU 36 H LEU 36 -5.604 6.840 4.291 283 HA LEU 36 HA LEU 36 -2.725 6.260 4.048 284 1HB LEU 36 1HB LEU 36 -3.307 3.941 3.590 285 2HB LEU 36 2HB LEU 36 -3.892 4.452 5.172 286 HG LEU 36 HG LEU 36 -5.917 4.777 3.123 287 1HD1 LEU 36 1HD1 LEU 36 -6.324 2.435 2.678 288 2HD1 LEU 36 2HD1 LEU 36 -4.893 1.983 3.604 289 3HD1 LEU 36 3HD1 LEU 36 -4.720 2.887 2.100 290 1HD2 LEU 36 1HD2 LEU 36 -6.574 4.836 5.375 291 2HD2 LEU 36 2HD2 LEU 36 -5.667 3.375 5.768 292 3HD2 LEU 36 3HD2 LEU 36 -7.127 3.269 4.783 293 H ASN 37 H ASN 37 -5.304 7.564 2.496 294 HA ASN 37 HA ASN 37 -4.425 6.638 -0.155 295 1HB ASN 37 1HB ASN 37 -6.959 8.177 0.355 296 2HB ASN 37 2HB ASN 37 -6.566 7.119 -0.997 297 1HD2 ASN 37 1HD2 ASN 37 -5.614 4.908 0.325 298 2HD2 ASN 37 2HD2 ASN 37 -6.896 4.185 1.229 299 H GLU 38 H GLU 38 -4.735 9.389 1.930 300 HA GLU 38 HA GLU 38 -3.643 11.099 -0.207 301 1HB GLU 38 1HB GLU 38 -5.720 12.059 0.202 302 2HB GLU 38 2HB GLU 38 -5.674 11.674 1.916 303 1HG GLU 38 1HG GLU 38 -4.553 13.551 2.451 304 2HG GLU 38 2HG GLU 38 -3.610 13.545 0.962 305 H LYS 39 H LYS 39 -3.503 10.131 3.149 306 HA LYS 39 HA LYS 39 -1.368 11.975 3.789 307 1HB LYS 39 1HB LYS 39 -3.251 10.502 5.263 308 2HB LYS 39 2HB LYS 39 -1.685 9.829 5.697 309 1HG LYS 39 1HG LYS 39 -1.044 11.682 6.800 310 2HG LYS 39 2HG LYS 39 -1.840 12.768 5.659 311 1HD LYS 39 1HD LYS 39 -3.298 11.096 7.702 312 2HD LYS 39 2HD LYS 39 -2.827 12.778 7.955 313 1HE LYS 39 1HE LYS 39 -4.296 12.230 5.462 314 2HE LYS 39 2HE LYS 39 -5.214 11.996 6.949 315 1HZ LYS 39 1HZ LYS 39 -3.644 14.456 6.579 316 2HZ LYS 39 2HZ LYS 39 -5.028 14.201 7.517 317 3HZ LYS 39 3HZ LYS 39 -5.156 14.311 5.834 318 H CYS 40 H CYS 40 -1.695 8.745 2.620 319 HA CYS 40 HA CYS 40 1.017 8.496 1.959 320 1HB CYS 40 1HB CYS 40 1.438 8.221 4.321 321 2HB CYS 40 2HB CYS 40 0.168 7.010 4.450 322 HG CYS 40 HG CYS 40 3.161 6.652 2.833 323 H SER 41 H SER 41 -0.044 7.895 0.030 324 HA SER 41 HA SER 41 -1.194 5.181 0.073 325 1HB SER 41 1HB SER 41 -2.592 7.314 -0.670 326 2HB SER 41 2HB SER 41 -1.753 7.039 -2.197 327 HG SER 41 HG SER 41 -3.802 5.926 -1.971 328 H VAL 42 H VAL 42 1.294 7.191 -1.091 329 HA VAL 42 HA VAL 42 1.924 5.616 -3.425 330 HB VAL 42 HB VAL 42 3.666 7.671 -2.061 331 1HG1 VAL 42 1HG1 VAL 42 4.345 7.879 -4.597 332 2HG1 VAL 42 2HG1 VAL 42 5.064 6.647 -3.558 333 3HG1 VAL 42 3HG1 VAL 42 3.753 6.219 -4.658 334 1HG2 VAL 42 1HG2 VAL 42 1.445 8.591 -2.618 335 2HG2 VAL 42 2HG2 VAL 42 2.737 9.316 -3.575 336 3HG2 VAL 42 3HG2 VAL 42 1.683 8.099 -4.295 337 H TYR 43 H TYR 43 3.564 4.141 -3.662 338 HA TYR 43 HA TYR 43 5.326 3.548 -1.434 339 1HB TYR 43 1HB TYR 43 3.341 1.519 -2.480 340 2HB TYR 43 2HB TYR 43 4.684 1.143 -1.406 341 HD1 TYR 43 1HD TYR 43 4.632 1.803 0.932 342 HD2 TYR 43 2HD TYR 43 1.388 2.714 -1.666 343 HE1 TYR 43 1HE TYR 43 3.222 2.316 2.882 344 HE2 TYR 43 2HE TYR 43 -0.030 3.231 0.276 345 HH TYR 43 HH TYR 43 -0.076 2.555 2.753 346 H THR 44 H THR 44 7.249 2.768 -2.095 347 HA THR 44 HA THR 44 7.750 2.624 -4.929 348 HB THR 44 HB THR 44 9.864 1.824 -2.999 349 HG1 THR 44 1HG THR 44 8.961 4.518 -3.237 350 1HG2 THR 44 1HG2 THR 44 9.645 3.416 -5.527 351 2HG2 THR 44 2HG2 THR 44 10.662 2.020 -5.170 352 3HG2 THR 44 3HG2 THR 44 11.055 3.596 -4.485 353 H VAL 45 H VAL 45 8.655 0.842 -6.040 354 HA VAL 45 HA VAL 45 8.690 -1.752 -4.738 355 HB VAL 45 HB VAL 45 6.409 -1.801 -5.317 356 1HG1 VAL 45 1HG1 VAL 45 5.674 -0.249 -6.738 357 2HG1 VAL 45 2HG1 VAL 45 7.257 -0.092 -7.502 358 3HG1 VAL 45 3HG1 VAL 45 6.141 -1.350 -8.034 359 1HG2 VAL 45 1HG2 VAL 45 6.257 -3.585 -6.869 360 2HG2 VAL 45 2HG2 VAL 45 7.729 -3.082 -7.701 361 3HG2 VAL 45 3HG2 VAL 45 7.822 -3.754 -6.073 362 H GLU 46 H GLU 46 10.630 -2.468 -5.328 363 HA GLU 46 HA GLU 46 12.115 -1.635 -7.525 364 1HB GLU 46 1HB GLU 46 12.626 -3.190 -5.366 365 2HB GLU 46 2HB GLU 46 12.571 -4.414 -6.627 366 1HG GLU 46 1HG GLU 46 14.143 -2.094 -7.389 367 2HG GLU 46 2HG GLU 46 14.747 -2.885 -5.934 368 H SER 47 H SER 47 12.987 -3.381 -9.168 369 HA SER 47 HA SER 47 10.720 -4.071 -10.812 370 1HB SER 47 1HB SER 47 12.960 -3.108 -11.624 371 2HB SER 47 2HB SER 47 13.597 -4.739 -11.418 372 HG SER 47 HG SER 47 12.724 -4.151 -13.564 373 H GLY 48 H GLY 48 12.749 -5.670 -8.556 374 1HA GLY 48 2HA GLY 48 11.736 -8.286 -9.486 375 2HA GLY 48 1HA GLY 48 13.274 -8.072 -8.665 376 H THR 49 H THR 49 9.784 -7.594 -8.197 377 HA THR 49 HA THR 49 10.114 -8.549 -5.439 378 HB THR 49 HB THR 49 8.088 -6.418 -5.897 379 HG1 THR 49 1HG THR 49 10.892 -6.016 -5.858 380 1HG2 THR 49 1HG2 THR 49 9.211 -5.829 -3.566 381 2HG2 THR 49 2HG2 THR 49 9.714 -7.516 -3.661 382 3HG2 THR 49 3HG2 THR 49 8.001 -7.102 -3.716 383 H GLU 50 H GLU 50 7.918 -9.062 -4.446 384 HA GLU 50 HA GLU 50 6.196 -10.281 -6.504 385 1HB GLU 50 1HB GLU 50 7.321 -11.334 -3.985 386 2HB GLU 50 2HB GLU 50 5.631 -11.722 -4.274 387 1HG GLU 50 1HG GLU 50 7.113 -12.169 -6.670 388 2HG GLU 50 2HG GLU 50 7.913 -12.984 -5.326 389 H VAL 51 H VAL 51 3.926 -10.452 -5.999 390 HA VAL 51 HA VAL 51 2.823 -8.058 -5.018 391 HB VAL 51 HB VAL 51 1.334 -10.665 -5.297 392 1HG1 VAL 51 1HG1 VAL 51 0.597 -7.835 -4.955 393 2HG1 VAL 51 2HG1 VAL 51 -0.328 -8.725 -6.167 394 3HG1 VAL 51 3HG1 VAL 51 -0.273 -9.300 -4.500 395 1HG2 VAL 51 1HG2 VAL 51 1.858 -10.675 -7.458 396 2HG2 VAL 51 2HG2 VAL 51 0.979 -9.155 -7.622 397 3HG2 VAL 51 3HG2 VAL 51 2.715 -9.141 -7.312 398 H THR 52 H THR 52 3.901 -10.845 -3.394 399 HA THR 52 HA THR 52 2.192 -10.434 -1.071 400 HB THR 52 HB THR 52 2.603 -12.735 -1.630 401 HG1 THR 52 1HG THR 52 3.370 -13.416 0.368 402 1HG2 THR 52 1HG2 THR 52 5.500 -11.928 -1.582 403 2HG2 THR 52 2HG2 THR 52 4.598 -12.711 -2.879 404 3HG2 THR 52 3HG2 THR 52 4.996 -13.609 -1.415 405 H GLU 53 H GLU 53 5.356 -9.633 -2.195 406 HA GLU 53 HA GLU 53 6.614 -9.229 0.310 407 1HB GLU 53 1HB GLU 53 7.383 -9.113 -2.359 408 2HB GLU 53 2HB GLU 53 7.559 -7.457 -1.796 409 1HG GLU 53 1HG GLU 53 9.535 -8.043 -0.996 410 2HG GLU 53 2HG GLU 53 8.679 -8.982 0.226 411 H PHE 54 H PHE 54 4.520 -7.266 -1.676 412 HA PHE 54 HA PHE 54 5.039 -4.818 -0.276 413 1HB PHE 54 1HB PHE 54 2.561 -5.334 -1.893 414 2HB PHE 54 2HB PHE 54 3.458 -3.832 -1.694 415 HD1 PHE 54 1HD PHE 54 2.581 -5.999 -4.083 416 HD2 PHE 54 2HD PHE 54 6.143 -4.407 -2.381 417 HE1 PHE 54 1HE PHE 54 3.781 -6.445 -6.184 418 HE2 PHE 54 2HE PHE 54 7.348 -4.849 -4.480 419 HZ PHE 54 HZ PHE 54 6.167 -5.868 -6.386 420 H ALA 55 H ALA 55 3.101 -7.570 0.290 421 HA ALA 55 HA ALA 55 1.041 -6.335 1.824 422 1HB ALA 55 1HB ALA 55 1.632 -8.934 0.884 423 2HB ALA 55 2HB ALA 55 1.432 -9.037 2.634 424 3HB ALA 55 3HB ALA 55 0.147 -8.355 1.638 425 H CYS 56 H CYS 56 4.301 -7.183 2.460 426 HA CYS 56 HA CYS 56 3.866 -6.950 5.359 427 1HB CYS 56 1HB CYS 56 5.419 -8.751 3.841 428 2HB CYS 56 2HB CYS 56 6.559 -7.695 4.666 429 HG CYS 56 HG CYS 56 4.095 -9.484 6.230 430 H VAL 57 H VAL 57 4.383 -4.944 2.960 431 HA VAL 57 HA VAL 57 6.376 -3.338 4.425 432 HB VAL 57 HB VAL 57 5.839 -3.351 1.452 433 1HG1 VAL 57 1HG1 VAL 57 7.545 -1.603 3.192 434 2HG1 VAL 57 2HG1 VAL 57 7.928 -1.857 1.488 435 3HG1 VAL 57 3HG1 VAL 57 6.385 -1.137 1.948 436 1HG2 VAL 57 1HG2 VAL 57 8.548 -3.892 2.368 437 2HG2 VAL 57 2HG2 VAL 57 7.383 -5.092 2.927 438 3HG2 VAL 57 3HG2 VAL 57 7.552 -4.764 1.202 439 H VAL 58 H VAL 58 3.308 -3.398 2.749 440 HA VAL 58 HA VAL 58 2.874 -0.551 3.216 441 HB VAL 58 HB VAL 58 0.965 -2.528 1.969 442 1HG1 VAL 58 1HG1 VAL 58 0.959 0.379 2.447 443 2HG1 VAL 58 2HG1 VAL 58 0.425 -0.137 0.847 444 3HG1 VAL 58 3HG1 VAL 58 -0.386 -0.750 2.288 445 1HG2 VAL 58 1HG2 VAL 58 2.079 -0.883 -0.011 446 2HG2 VAL 58 2HG2 VAL 58 3.435 -1.480 0.945 447 3HG2 VAL 58 3HG2 VAL 58 2.312 -2.618 0.202 448 H ALA 59 H ALA 59 2.231 -3.552 4.698 449 HA ALA 59 HA ALA 59 -0.160 -2.760 6.084 450 1HB ALA 59 1HB ALA 59 0.680 -4.878 7.498 451 2HB ALA 59 2HB ALA 59 -0.187 -5.018 5.968 452 3HB ALA 59 3HB ALA 59 1.571 -5.151 6.000 453 H GLU 60 H GLU 60 3.208 -2.327 6.545 454 HA GLU 60 HA GLU 60 2.890 -1.756 9.397 455 1HB GLU 60 1HB GLU 60 5.373 -1.510 9.367 456 2HB GLU 60 2HB GLU 60 4.809 -3.100 8.874 457 1HG GLU 60 1HG GLU 60 5.186 -2.569 6.558 458 2HG GLU 60 2HG GLU 60 5.618 -0.912 6.975 459 H ALA 61 H ALA 61 3.360 -0.194 6.332 460 HA ALA 61 HA ALA 61 4.089 2.355 7.477 461 1HB ALA 61 1HB ALA 61 3.500 2.982 4.942 462 2HB ALA 61 2HB ALA 61 5.043 2.277 5.426 463 3HB ALA 61 3HB ALA 61 3.776 1.250 4.755 464 H VAL 62 H VAL 62 1.277 0.709 7.428 465 HA VAL 62 HA VAL 62 -0.403 3.071 6.951 466 HB VAL 62 HB VAL 62 -2.306 1.417 7.072 467 1HG1 VAL 62 1HG1 VAL 62 -1.420 0.275 4.815 468 2HG1 VAL 62 2HG1 VAL 62 -1.958 1.954 4.900 469 3HG1 VAL 62 3HG1 VAL 62 -0.237 1.574 4.968 470 1HG2 VAL 62 1HG2 VAL 62 -0.060 -0.592 6.915 471 2HG2 VAL 62 2HG2 VAL 62 -1.117 -0.338 8.304 472 3HG2 VAL 62 3HG2 VAL 62 -1.783 -0.947 6.789 473 H VAL 63 H VAL 63 0.462 0.673 9.369 474 HA VAL 63 HA VAL 63 -1.447 1.256 11.318 475 HB VAL 63 HB VAL 63 1.418 0.385 11.717 476 1HG1 VAL 63 1HG1 VAL 63 0.658 -0.446 13.893 477 2HG1 VAL 63 2HG1 VAL 63 0.474 1.305 13.765 478 3HG1 VAL 63 3HG1 VAL 63 -0.934 0.255 13.601 479 1HG2 VAL 63 1HG2 VAL 63 0.793 -1.738 11.292 480 2HG2 VAL 63 2HG2 VAL 63 -0.798 -1.528 12.023 481 3HG2 VAL 63 3HG2 VAL 63 -0.503 -0.966 10.378 482 H LYS 64 H LYS 64 1.943 2.372 11.342 483 HA LYS 64 HA LYS 64 1.677 4.263 13.349 484 1HB LYS 64 1HB LYS 64 3.690 5.351 12.314 485 2HB LYS 64 2HB LYS 64 3.860 3.627 12.615 486 1HG LYS 64 1HG LYS 64 2.852 3.839 10.016 487 2HG LYS 64 2HG LYS 64 4.098 5.082 10.154 488 1HD LYS 64 1HD LYS 64 4.517 2.219 10.993 489 2HD LYS 64 2HD LYS 64 4.894 2.819 9.376 490 1HE LYS 64 1HE LYS 64 5.995 4.479 11.505 491 2HE LYS 64 2HE LYS 64 6.592 2.821 11.544 492 1HZ LYS 64 1HZ LYS 64 6.542 4.182 8.958 493 2HZ LYS 64 2HZ LYS 64 7.647 3.054 9.564 494 3HZ LYS 64 3HZ LYS 64 7.722 4.667 10.070 495 H THR 65 H THR 65 1.029 4.550 9.902 496 HA THR 65 HA THR 65 0.627 7.370 9.914 497 HB THR 65 HB THR 65 -0.397 5.326 7.934 498 HG1 THR 65 1HG THR 65 1.908 6.969 7.691 499 1HG2 THR 65 1HG2 THR 65 0.059 7.672 6.584 500 2HG2 THR 65 2HG2 THR 65 -0.608 8.236 8.116 501 3HG2 THR 65 3HG2 THR 65 -1.517 7.095 7.126 502 H LEU 66 H LEU 66 -1.338 4.650 10.731 503 HA LEU 66 HA LEU 66 -3.672 6.429 10.996 504 1HB LEU 66 1HB LEU 66 -3.473 3.542 10.225 505 2HB LEU 66 2HB LEU 66 -4.953 4.184 10.934 506 HG LEU 66 HG LEU 66 -4.868 5.908 9.020 507 1HD1 LEU 66 1HD1 LEU 66 -3.097 3.771 7.845 508 2HD1 LEU 66 2HD1 LEU 66 -2.564 5.381 8.329 509 3HD1 LEU 66 3HD1 LEU 66 -3.726 5.194 7.015 510 1HD2 LEU 66 1HD2 LEU 66 -6.488 4.039 9.259 511 2HD2 LEU 66 2HD2 LEU 66 -5.390 3.020 8.327 512 3HD2 LEU 66 3HD2 LEU 66 -6.117 4.446 7.583 513 H GLN 67 H GLN 67 -2.240 6.739 13.073 514 HA GLN 67 HA GLN 67 -3.334 4.926 15.118 515 1HB GLN 67 1HB GLN 67 -0.555 6.025 14.838 516 2HB GLN 67 2HB GLN 67 -1.187 5.591 16.420 517 1HG GLN 67 1HG GLN 67 -1.689 3.463 14.581 518 2HG GLN 67 2HG GLN 67 0.012 3.919 14.510 519 1HE2 GLN 67 1HE2 GLN 67 1.091 2.492 15.673 520 2HE2 GLN 67 2HE2 GLN 67 0.690 1.977 17.272 521 HA PRO 68 HA PRO 68 -3.997 9.617 15.844 522 1HB PRO 68 1HB PRO 68 -6.548 9.851 14.943 523 2HB PRO 68 2HB PRO 68 -5.137 10.133 13.916 524 1HG PRO 68 1HG PRO 68 -6.867 7.700 14.132 525 2HG PRO 68 2HG PRO 68 -6.214 8.483 12.682 526 1HD PRO 68 1HD PRO 68 -5.103 6.263 13.764 527 2HD PRO 68 2HD PRO 68 -4.143 7.503 12.932 528 H VAL 69 H VAL 69 -6.547 7.119 15.943 529 HA VAL 69 HA VAL 69 -6.703 7.341 18.824 530 HB VAL 69 HB VAL 69 -9.240 7.646 18.692 531 1HG1 VAL 69 1HG1 VAL 69 -7.270 9.373 19.221 532 2HG1 VAL 69 2HG1 VAL 69 -7.983 10.179 17.822 533 3HG1 VAL 69 3HG1 VAL 69 -8.973 9.830 19.239 534 1HG2 VAL 69 1HG2 VAL 69 -9.511 7.323 16.305 535 2HG2 VAL 69 2HG2 VAL 69 -10.043 8.943 16.757 536 3HG2 VAL 69 3HG2 VAL 69 -8.479 8.714 15.975 537 H SER 70 H SER 70 -5.846 5.142 18.020 538 HA SER 70 HA SER 70 -7.441 3.229 16.807 539 1HB SER 70 1HB SER 70 -5.976 1.873 18.799 540 2HB SER 70 2HB SER 70 -5.528 2.104 17.109 541 HG SER 70 HG SER 70 -4.498 3.255 19.343 542 H ASP 71 H ASP 71 -7.587 4.519 20.025 543 HA ASP 71 HA ASP 71 -8.962 2.511 21.369 544 1HB ASP 71 1HB ASP 71 -9.059 5.514 21.647 545 2HB ASP 71 2HB ASP 71 -9.923 4.432 22.736 546 H LEU 72 H LEU 72 -10.029 4.640 18.874 547 HA LEU 72 HA LEU 72 -12.846 4.118 19.403 548 1HB LEU 72 1HB LEU 72 -11.386 5.828 17.413 549 2HB LEU 72 2HB LEU 72 -13.119 5.531 17.294 550 HG LEU 72 HG LEU 72 -11.853 6.734 19.744 551 1HD1 LEU 72 1HD1 LEU 72 -11.831 8.797 18.860 552 2HD1 LEU 72 2HD1 LEU 72 -13.275 8.512 17.890 553 3HD1 LEU 72 3HD1 LEU 72 -11.707 7.939 17.323 554 1HD2 LEU 72 1HD2 LEU 72 -13.919 6.734 20.554 555 2HD2 LEU 72 2HD2 LEU 72 -14.427 5.791 19.152 556 3HD2 LEU 72 3HD2 LEU 72 -14.532 7.552 19.116 557 H LEU 73 H LEU 73 -10.474 3.568 16.812 558 HA LEU 73 HA LEU 73 -12.067 2.210 15.013 559 1HB LEU 73 1HB LEU 73 -9.159 1.945 15.703 560 2HB LEU 73 2HB LEU 73 -9.898 0.975 14.431 561 HG LEU 73 HG LEU 73 -10.615 3.236 13.421 562 1HD1 LEU 73 1HD1 LEU 73 -10.146 4.689 15.252 563 2HD1 LEU 73 2HD1 LEU 73 -9.000 5.060 13.965 564 3HD1 LEU 73 3HD1 LEU 73 -8.483 4.111 15.359 565 1HD2 LEU 73 1HD2 LEU 73 -8.931 1.729 12.462 566 2HD2 LEU 73 2HD2 LEU 73 -7.697 2.474 13.478 567 3HD2 LEU 73 3HD2 LEU 73 -8.507 3.426 12.233 568 H THR 74 H THR 74 -10.305 0.918 17.804 569 HA THR 74 HA THR 74 -10.799 -1.788 17.435 570 HB THR 74 HB THR 74 -10.871 -0.582 20.184 571 HG1 THR 74 1HG THR 74 -8.798 -0.488 18.304 572 1HG2 THR 74 1HG2 THR 74 -10.987 -2.894 20.337 573 2HG2 THR 74 2HG2 THR 74 -9.252 -2.602 20.467 574 3HG2 THR 74 3HG2 THR 74 -9.944 -3.141 18.937 575 H ASN 75 H ASN 75 -12.942 0.741 18.440 576 HA ASN 75 HA ASN 75 -14.962 -1.163 19.348 577 1HB ASN 75 1HB ASN 75 -15.677 0.502 20.663 578 2HB ASN 75 2HB ASN 75 -14.304 1.453 20.106 579 1HD2 ASN 75 1HD2 ASN 75 -14.688 3.254 19.007 580 2HD2 ASN 75 2HD2 ASN 75 -16.224 3.737 18.382 581 H MET 76 H MET 76 -14.080 0.629 16.574 582 HA MET 76 HA MET 76 -16.757 0.490 15.418 583 1HB MET 76 1HB MET 76 -14.197 1.660 14.314 584 2HB MET 76 2HB MET 76 -15.774 1.755 13.541 585 1HG MET 76 1HG MET 76 -16.616 3.011 15.488 586 2HG MET 76 2HG MET 76 -14.995 2.975 16.178 587 1HE MET 76 1HE MET 76 -12.936 5.241 13.845 588 2HE MET 76 2HE MET 76 -12.991 4.325 15.351 589 3HE MET 76 3HE MET 76 -13.035 3.480 13.803 590 H GLY 77 H GLY 77 -14.988 -1.882 15.973 591 1HA GLY 77 2HA GLY 77 -14.707 -3.933 14.965 592 2HA GLY 77 1HA GLY 77 -15.576 -3.305 13.572 593 H ILE 78 H ILE 78 -12.625 -1.956 14.948 594 HA ILE 78 HA ILE 78 -11.065 -3.015 12.713 595 HB ILE 78 HB ILE 78 -11.225 -0.070 13.362 596 1HG1 ILE 78 1HG1 ILE 78 -11.968 -1.527 10.819 597 2HG1 ILE 78 2HG1 ILE 78 -13.129 -1.013 12.037 598 1HG2 ILE 78 1HG2 ILE 78 -9.406 -1.658 11.586 599 2HG2 ILE 78 2HG2 ILE 78 -9.738 0.045 11.272 600 3HG2 ILE 78 3HG2 ILE 78 -8.993 -0.442 12.795 601 1HD1 ILE 78 1HD1 ILE 78 -13.168 1.059 11.246 602 2HD1 ILE 78 2HD1 ILE 78 -11.407 1.153 11.185 603 3HD1 ILE 78 3HD1 ILE 78 -12.299 0.431 9.846 604 H ASP 79 H ASP 79 -9.411 -4.003 13.652 605 HA ASP 79 HA ASP 79 -8.271 -2.866 16.108 606 1HB ASP 79 1HB ASP 79 -9.053 -5.413 15.641 607 2HB ASP 79 2HB ASP 79 -7.360 -5.520 15.166 608 H LEU 80 H LEU 80 -6.112 -2.369 16.285 609 HA LEU 80 HA LEU 80 -4.717 -1.961 13.762 610 1HB LEU 80 1HB LEU 80 -4.940 -0.487 16.095 611 2HB LEU 80 2HB LEU 80 -3.304 -1.137 16.161 612 HG LEU 80 HG LEU 80 -3.008 -0.175 13.815 613 1HD1 LEU 80 1HD1 LEU 80 -4.599 1.060 12.852 614 2HD1 LEU 80 2HD1 LEU 80 -5.011 1.875 14.361 615 3HD1 LEU 80 3HD1 LEU 80 -5.699 0.293 13.998 616 1HD2 LEU 80 1HD2 LEU 80 -1.921 1.496 14.816 617 2HD2 LEU 80 2HD2 LEU 80 -2.568 0.860 16.329 618 3HD2 LEU 80 3HD2 LEU 80 -3.405 2.169 15.492 619 H ASP 81 H ASP 81 -4.477 -3.855 16.689 620 HA ASP 81 HA ASP 81 -1.812 -4.728 16.395 621 1HB ASP 81 1HB ASP 81 -4.006 -5.241 18.152 622 2HB ASP 81 2HB ASP 81 -3.346 -6.786 17.621 623 H GLU 82 H GLU 82 -4.721 -5.587 14.770 624 HA GLU 82 HA GLU 82 -3.703 -8.126 13.810 625 1HB GLU 82 1HB GLU 82 -5.811 -8.493 12.893 626 2HB GLU 82 2HB GLU 82 -6.170 -7.533 14.322 627 1HG GLU 82 1HG GLU 82 -6.050 -5.519 12.709 628 2HG GLU 82 2HG GLU 82 -6.244 -6.733 11.446 629 H TRP 83 H TRP 83 -4.013 -4.829 12.710 630 HA TRP 83 HA TRP 83 -3.698 -5.167 9.965 631 1HB TRP 83 1HB TRP 83 -2.967 -2.952 11.858 632 2HB TRP 83 2HB TRP 83 -2.537 -2.846 10.153 633 HD1 TRP 83 HD TRP 83 -5.806 -4.570 10.696 634 HE1 TRP 83 1HE TRP 83 -7.744 -2.989 10.088 635 HE3 TRP 83 3HE TRP 83 -3.188 -0.199 10.282 636 HZ2 TRP 83 2HZ TRP 83 -8.113 -0.252 9.508 637 HZ3 TRP 83 3HZ TRP 83 -4.408 1.856 9.697 638 HH2 TRP 83 HH TRP 83 -6.820 1.828 9.318 639 H SER 84 H SER 84 -1.340 -5.260 12.552 640 HA SER 84 HA SER 84 0.928 -5.239 10.776 641 1HB SER 84 1HB SER 84 2.252 -5.235 12.685 642 2HB SER 84 2HB SER 84 0.778 -4.473 13.282 643 HG SER 84 HG SER 84 1.082 -6.008 14.747 644 H VAL 85 H VAL 85 -1.246 -7.583 11.987 645 HA VAL 85 HA VAL 85 0.492 -9.730 10.959 646 HB VAL 85 HB VAL 85 -0.517 -11.268 12.592 647 1HG1 VAL 85 1HG1 VAL 85 0.803 -10.629 14.429 648 2HG1 VAL 85 2HG1 VAL 85 1.601 -9.920 13.024 649 3HG1 VAL 85 3HG1 VAL 85 0.609 -8.912 14.078 650 1HG2 VAL 85 1HG2 VAL 85 -2.472 -9.367 12.850 651 2HG2 VAL 85 2HG2 VAL 85 -2.241 -10.746 13.924 652 3HG2 VAL 85 3HG2 VAL 85 -1.556 -9.177 14.346 653 H ALA 86 H ALA 86 -1.361 -8.304 9.394 654 HA ALA 86 HA ALA 86 -3.474 -10.319 8.981 655 1HB ALA 86 1HB ALA 86 -4.300 -8.083 7.603 656 2HB ALA 86 2HB ALA 86 -4.873 -8.595 9.191 657 3HB ALA 86 3HB ALA 86 -3.569 -7.414 9.062 658 H THR 87 H THR 87 -4.324 -9.945 6.541 659 HA THR 87 HA THR 87 -1.932 -10.163 4.831 660 HB THR 87 HB THR 87 -4.524 -11.496 4.125 661 HG1 THR 87 1HG THR 87 -2.588 -12.363 6.005 662 1HG2 THR 87 1HG2 THR 87 -2.581 -11.293 2.525 663 2HG2 THR 87 2HG2 THR 87 -3.144 -12.937 2.827 664 3HG2 THR 87 3HG2 THR 87 -1.678 -12.348 3.611 665 H PHE 88 H PHE 88 -1.808 -8.231 3.831 666 HA PHE 88 HA PHE 88 -4.207 -6.910 2.865 667 1HB PHE 88 1HB PHE 88 -1.331 -6.156 3.150 668 2HB PHE 88 2HB PHE 88 -2.316 -5.280 1.983 669 HD1 PHE 88 1HD PHE 88 -3.117 -6.611 5.368 670 HD2 PHE 88 2HD PHE 88 -2.739 -3.194 2.859 671 HE1 PHE 88 1HE PHE 88 -3.989 -5.190 7.178 672 HE2 PHE 88 2HE PHE 88 -3.609 -1.767 4.665 673 HZ PHE 88 HZ PHE 88 -4.234 -2.765 6.829 674 H TYR 89 H TYR 89 -5.036 -7.799 1.071 675 HA TYR 89 HA TYR 89 -3.281 -8.782 -1.032 676 1HB TYR 89 1HB TYR 89 -6.302 -8.750 -1.009 677 2HB TYR 89 2HB TYR 89 -5.249 -9.729 -2.025 678 HD1 TYR 89 1HD TYR 89 -4.228 -11.742 -1.182 679 HD2 TYR 89 2HD TYR 89 -6.611 -9.302 1.361 680 HE1 TYR 89 1HE TYR 89 -4.308 -13.558 0.475 681 HE2 TYR 89 2HE TYR 89 -6.697 -11.110 3.026 682 HH TYR 89 HH TYR 89 -6.216 -13.251 3.444 683 H LEU 90 H LEU 90 -2.699 -7.602 -2.724 684 HA LEU 90 HA LEU 90 -4.095 -5.078 -3.234 685 1HB LEU 90 1HB LEU 90 -1.448 -6.055 -4.293 686 2HB LEU 90 2HB LEU 90 -2.126 -4.443 -4.508 687 HG LEU 90 HG LEU 90 -0.543 -4.130 -2.847 688 1HD1 LEU 90 1HD1 LEU 90 -3.063 -4.756 -1.316 689 2HD1 LEU 90 2HD1 LEU 90 -2.749 -3.258 -2.192 690 3HD1 LEU 90 3HD1 LEU 90 -1.754 -3.690 -0.802 691 1HD2 LEU 90 1HD2 LEU 90 0.367 -5.848 -1.782 692 2HD2 LEU 90 2HD2 LEU 90 -0.907 -6.905 -2.392 693 3HD2 LEU 90 3HD2 LEU 90 -1.115 -6.070 -0.852 694 H PHE 91 H PHE 91 -5.770 -5.409 -4.575 695 HA PHE 91 HA PHE 91 -5.522 -7.250 -6.813 696 1HB PHE 91 1HB PHE 91 -7.719 -6.009 -5.327 697 2HB PHE 91 2HB PHE 91 -7.982 -6.030 -7.068 698 HD1 PHE 91 1HD PHE 91 -7.901 -7.967 -4.034 699 HD2 PHE 91 2HD PHE 91 -7.933 -8.207 -8.284 700 HE1 PHE 91 1HE PHE 91 -8.600 -10.322 -3.892 701 HE2 PHE 91 2HE PHE 91 -8.633 -10.562 -8.149 702 HZ PHE 91 HZ PHE 91 -8.968 -11.622 -5.951 703 H ASP 92 H ASP 92 -6.856 -6.268 -8.842 704 HA ASP 92 HA ASP 92 -5.731 -3.623 -9.454 705 1HB ASP 92 1HB ASP 92 -5.611 -6.052 -11.254 706 2HB ASP 92 2HB ASP 92 -5.132 -4.422 -11.719 707 H ASP 93 H ASP 93 -6.622 -3.200 -11.939 708 HA ASP 93 HA ASP 93 -9.451 -2.872 -11.537 709 1HB ASP 93 1HB ASP 93 -9.406 -1.417 -13.362 710 2HB ASP 93 2HB ASP 93 -7.795 -1.233 -12.675 711 H ALA 94 H ALA 94 -7.470 -5.228 -12.966 712 HA ALA 94 HA ALA 94 -9.560 -6.178 -14.772 713 1HB ALA 94 1HB ALA 94 -7.866 -7.801 -15.527 714 2HB ALA 94 2HB ALA 94 -7.314 -6.131 -15.667 715 3HB ALA 94 3HB ALA 94 -6.736 -7.143 -14.343 716 H GLY 95 H GLY 95 -8.917 -6.466 -11.584 717 1HA GLY 95 2HA GLY 95 -9.922 -7.869 -10.031 718 2HA GLY 95 1HA GLY 95 -10.499 -8.870 -11.355 719 H GLU 96 H GLU 96 -7.140 -7.966 -10.848 720 HA GLU 96 HA GLU 96 -6.559 -10.744 -10.064 721 1HB GLU 96 1HB GLU 96 -4.501 -10.630 -11.441 722 2HB GLU 96 2HB GLU 96 -5.972 -10.523 -12.398 723 1HG GLU 96 1HG GLU 96 -5.468 -7.904 -11.956 724 2HG GLU 96 2HG GLU 96 -3.832 -8.559 -11.993 725 H GLU 97 H GLU 97 -4.359 -10.979 -9.081 726 HA GLU 97 HA GLU 97 -3.870 -8.706 -7.291 727 1HB GLU 97 1HB GLU 97 -4.373 -11.191 -6.550 728 2HB GLU 97 2HB GLU 97 -2.653 -11.398 -6.850 729 1HG GLU 97 1HG GLU 97 -2.048 -9.942 -5.153 730 2HG GLU 97 2HG GLU 97 -3.631 -9.166 -5.121 731 H ASN 98 H ASN 98 -2.799 -7.932 -9.459 732 HA ASN 98 HA ASN 98 0.021 -8.783 -9.449 733 1HB ASN 98 1HB ASN 98 -1.658 -7.585 -11.658 734 2HB ASN 98 2HB ASN 98 0.090 -7.773 -11.761 735 1HD2 ASN 98 1HD2 ASN 98 -2.333 -8.997 -13.146 736 2HD2 ASN 98 2HD2 ASN 98 -2.004 -10.693 -13.117 737 H PHE 99 H PHE 99 1.316 -6.788 -10.597 738 HA PHE 99 HA PHE 99 0.749 -4.459 -8.884 739 1HB PHE 99 1HB PHE 99 3.292 -4.041 -9.270 740 2HB PHE 99 2HB PHE 99 2.789 -5.256 -8.100 741 HD1 PHE 99 1HD PHE 99 4.307 -4.673 -11.372 742 HD2 PHE 99 2HD PHE 99 3.118 -7.609 -8.529 743 HE1 PHE 99 1HE PHE 99 5.648 -6.361 -12.558 744 HE2 PHE 99 2HE PHE 99 4.458 -9.301 -9.710 745 HZ PHE 99 HZ PHE 99 5.726 -8.678 -11.727 746 H SER 100 H SER 100 -0.680 -4.128 -10.940 747 HA SER 100 HA SER 100 0.681 -3.156 -13.273 748 1HB SER 100 1HB SER 100 -1.663 -4.208 -13.169 749 2HB SER 100 2HB SER 100 -2.211 -2.633 -12.597 750 HG SER 100 HG SER 100 -0.883 -3.176 -15.048 751 H SER 101 H SER 101 -0.752 -0.887 -13.941 752 HA SER 101 HA SER 101 0.750 1.178 -12.980 753 1HB SER 101 1HB SER 101 -1.949 1.021 -14.232 754 2HB SER 101 2HB SER 101 -1.474 2.560 -13.512 755 HG SER 101 HG SER 101 0.111 2.772 -14.958 756 H ARG 102 H ARG 102 -2.371 0.074 -11.701 757 HA ARG 102 HA ARG 102 -1.765 1.534 -9.216 758 1HB ARG 102 1HB ARG 102 -3.915 2.349 -9.024 759 2HB ARG 102 2HB ARG 102 -3.683 2.419 -10.766 760 1HG ARG 102 1HG ARG 102 -4.883 0.302 -11.010 761 2HG ARG 102 2HG ARG 102 -5.123 0.244 -9.262 762 1HD ARG 102 1HD ARG 102 -6.841 1.668 -9.354 763 2HD ARG 102 2HD ARG 102 -5.971 2.770 -10.420 764 HE ARG 102 HE ARG 102 -7.883 0.771 -11.185 765 1HH1 ARG 102 2HH1 ARG 102 -5.148 2.654 -12.231 766 2HH1 ARG 102 1HH1 ARG 102 -5.552 2.547 -13.912 767 1HH2 ARG 102 2HH2 ARG 102 -8.426 0.623 -13.396 768 2HH2 ARG 102 1HH2 ARG 102 -7.417 1.392 -14.574 769 H MET 103 H MET 103 -3.408 0.670 -7.438 770 HA MET 103 HA MET 103 -3.808 -2.205 -7.646 771 1HB MET 103 1HB MET 103 -1.630 -0.974 -6.148 772 2HB MET 103 2HB MET 103 -2.653 -1.985 -5.136 773 1HG MET 103 1HG MET 103 -2.237 -3.896 -6.462 774 2HG MET 103 2HG MET 103 -1.493 -2.933 -7.737 775 1HE MET 103 1HE MET 103 -0.769 -5.497 -6.295 776 2HE MET 103 2HE MET 103 0.861 -5.246 -6.922 777 3HE MET 103 3HE MET 103 0.605 -5.460 -5.189 778 H TYR 104 H TYR 104 -5.128 -3.072 -5.925 779 HA TYR 104 HA TYR 104 -6.719 -0.999 -4.560 780 1HB TYR 104 1HB TYR 104 -7.567 -3.516 -5.963 781 2HB TYR 104 2HB TYR 104 -8.570 -2.817 -4.697 782 HD1 TYR 104 1HD TYR 104 -8.648 -3.135 -7.977 783 HD2 TYR 104 2HD TYR 104 -8.353 0.043 -5.164 784 HE1 TYR 104 1HE TYR 104 -9.639 -1.597 -9.621 785 HE2 TYR 104 2HE TYR 104 -9.345 1.590 -6.799 786 HH TYR 104 HH TYR 104 -10.983 1.211 -8.933 787 H CYS 105 H CYS 105 -6.578 -1.071 -2.428 788 HA CYS 105 HA CYS 105 -5.367 -3.301 -1.084 789 1HB CYS 105 1HB CYS 105 -5.889 -0.543 -0.509 790 2HB CYS 105 2HB CYS 105 -6.529 -1.528 0.801 791 HG CYS 105 HG CYS 105 -3.951 -2.933 0.954 792 H SER 106 H SER 106 -6.551 -5.105 -0.908 793 HA SER 106 HA SER 106 -9.334 -4.851 0.023 794 1HB SER 106 1HB SER 106 -8.323 -7.403 -1.150 795 2HB SER 106 2HB SER 106 -9.933 -6.688 -1.232 796 HG SER 106 HG SER 106 -7.618 -5.892 -2.664 797 H PHE 107 H PHE 107 -9.591 -5.286 2.102 798 HA PHE 107 HA PHE 107 -7.631 -6.507 3.719 799 1HB PHE 107 1HB PHE 107 -9.377 -6.491 5.478 800 2HB PHE 107 2HB PHE 107 -9.235 -4.940 4.657 801 HD1 PHE 107 1HD PHE 107 -11.057 -3.999 3.498 802 HD2 PHE 107 2HD PHE 107 -11.274 -8.006 4.917 803 HE1 PHE 107 1HE PHE 107 -13.466 -4.041 3.000 804 HE2 PHE 107 2HE PHE 107 -13.683 -8.055 4.420 805 HZ PHE 107 HZ PHE 107 -14.782 -6.071 3.460 806 H TYR 108 H TYR 108 -9.960 -7.830 1.643 807 HA TYR 108 HA TYR 108 -9.854 -10.430 3.015 808 1HB TYR 108 1HB TYR 108 -11.837 -11.044 1.766 809 2HB TYR 108 2HB TYR 108 -12.116 -9.504 2.571 810 HD1 TYR 108 1HD TYR 108 -12.069 -11.246 -0.566 811 HD2 TYR 108 2HD TYR 108 -11.917 -7.378 1.200 812 HE1 TYR 108 1HE TYR 108 -12.706 -10.244 -2.720 813 HE2 TYR 108 2HE TYR 108 -12.555 -6.366 -0.948 814 HH TYR 108 HH TYR 108 -13.907 -7.973 -3.410 815 HA PRO 109 HA PRO 109 -7.357 -12.195 -0.133 816 1HB PRO 109 1HB PRO 109 -8.323 -14.731 -0.220 817 2HB PRO 109 2HB PRO 109 -7.345 -14.121 1.120 818 1HG PRO 109 1HG PRO 109 -10.318 -14.421 0.927 819 2HG PRO 109 2HG PRO 109 -9.240 -14.809 2.281 820 1HD PRO 109 1HD PRO 109 -10.712 -12.538 2.196 821 2HD PRO 109 2HD PRO 109 -9.121 -12.615 2.979 822 HA PRO 110 HA PRO 110 -9.315 -12.182 -4.070 823 1HB PRO 110 1HB PRO 110 -7.941 -14.088 -5.429 824 2HB PRO 110 2HB PRO 110 -7.244 -12.520 -5.005 825 1HG PRO 110 1HG PRO 110 -6.918 -15.168 -3.647 826 2HG PRO 110 2HG PRO 110 -5.694 -13.937 -4.006 827 1HD PRO 110 1HD PRO 110 -6.802 -14.217 -1.551 828 2HD PRO 110 2HD PRO 110 -6.278 -12.645 -2.189 829 H ASP 111 H ASP 111 -8.630 -15.587 -3.230 830 HA ASP 111 HA ASP 111 -11.220 -16.461 -2.898 831 1HB ASP 111 1HB ASP 111 -10.705 -15.846 -5.635 832 2HB ASP 111 2HB ASP 111 -10.864 -17.594 -5.488 833 H GLU 112 H GLU 112 -8.402 -17.503 -4.825 834 HA GLU 112 HA GLU 112 -7.270 -19.494 -4.856 835 1HB GLU 112 1HB GLU 112 -6.421 -18.267 -2.820 836 2HB GLU 112 2HB GLU 112 -7.511 -19.254 -1.857 837 1HG GLU 112 1HG GLU 112 -6.348 -21.270 -2.826 838 2HG GLU 112 2HG GLU 112 -5.147 -20.154 -3.472 Start of MODEL 10 1 1H ALA 1 1H ALA 1 14.839 11.740 -11.568 2 HA ALA 1 HA ALA 1 13.933 9.831 -9.751 3 1HB ALA 1 1HB ALA 1 13.993 8.454 -11.508 4 2HB ALA 1 2HB ALA 1 14.511 9.864 -12.434 5 3HB ALA 1 3HB ALA 1 15.710 8.743 -11.789 6 HA PRO 2 HA PRO 2 17.354 8.666 -7.264 7 1HB PRO 2 1HB PRO 2 17.077 5.969 -7.117 8 2HB PRO 2 2HB PRO 2 15.990 7.093 -6.293 9 1HG PRO 2 1HG PRO 2 15.604 5.638 -8.881 10 2HG PRO 2 2HG PRO 2 14.450 5.894 -7.558 11 1HD PRO 2 1HD PRO 2 14.422 7.378 -9.823 12 2HD PRO 2 2HD PRO 2 13.946 8.036 -8.244 13 H ILE 3 H ILE 3 16.971 6.726 -10.209 14 HA ILE 3 HA ILE 3 18.475 5.798 -11.644 15 HB ILE 3 HB ILE 3 20.477 7.820 -10.668 16 1HG1 ILE 3 1HG1 ILE 3 18.184 8.268 -12.592 17 2HG1 ILE 3 2HG1 ILE 3 18.356 8.997 -10.998 18 1HG2 ILE 3 1HG2 ILE 3 20.401 5.920 -12.773 19 2HG2 ILE 3 2HG2 ILE 3 20.366 7.531 -13.489 20 3HG2 ILE 3 3HG2 ILE 3 21.669 7.085 -12.388 21 1HD1 ILE 3 1HD1 ILE 3 19.022 10.668 -12.461 22 2HD1 ILE 3 2HD1 ILE 3 20.545 9.971 -11.907 23 3HD1 ILE 3 3HD1 ILE 3 19.906 9.546 -13.495 24 H LYS 4 H LYS 4 18.323 4.605 -9.087 25 HA LYS 4 HA LYS 4 19.366 2.993 -7.866 26 1HB LYS 4 1HB LYS 4 20.816 1.652 -8.978 27 2HB LYS 4 2HB LYS 4 20.357 2.654 -10.350 28 1HG LYS 4 1HG LYS 4 22.519 3.061 -10.628 29 2HG LYS 4 2HG LYS 4 22.433 4.051 -9.169 30 1HD LYS 4 1HD LYS 4 24.251 2.427 -9.023 31 2HD LYS 4 2HD LYS 4 23.012 2.101 -7.810 32 1HE LYS 4 1HE LYS 4 22.361 0.158 -8.800 33 2HE LYS 4 2HE LYS 4 22.743 0.730 -10.423 34 1HZ LYS 4 1HZ LYS 4 25.053 0.356 -10.031 35 2HZ LYS 4 2HZ LYS 4 24.224 -1.058 -9.614 36 3HZ LYS 4 3HZ LYS 4 24.785 -0.019 -8.403 37 H GLY 5 H GLY 5 20.305 6.072 -8.029 38 1HA GLY 5 2HA GLY 5 21.251 7.171 -6.131 39 2HA GLY 5 1HA GLY 5 22.198 5.727 -5.808 40 H VAL 6 H VAL 6 23.903 5.199 -7.419 41 HA VAL 6 HA VAL 6 25.441 7.571 -7.975 42 HB VAL 6 HB VAL 6 26.227 4.802 -8.833 43 1HG1 VAL 6 1HG1 VAL 6 27.992 6.013 -9.488 44 2HG1 VAL 6 2HG1 VAL 6 27.520 7.402 -8.507 45 3HG1 VAL 6 3HG1 VAL 6 28.412 6.066 -7.777 46 1HG2 VAL 6 1HG2 VAL 6 26.280 5.948 -6.051 47 2HG2 VAL 6 2HG2 VAL 6 25.547 4.438 -6.592 48 3HG2 VAL 6 3HG2 VAL 6 27.302 4.603 -6.557 49 H THR 7 H THR 7 26.501 7.906 -10.084 50 HA THR 7 HA THR 7 26.472 8.229 -12.340 51 HB THR 7 HB THR 7 24.457 6.117 -12.878 52 HG1 THR 7 1HG THR 7 27.064 5.276 -12.232 53 1HG2 THR 7 1HG2 THR 7 27.226 6.455 -14.008 54 2HG2 THR 7 2HG2 THR 7 25.851 7.397 -14.586 55 3HG2 THR 7 3HG2 THR 7 25.840 5.639 -14.729 56 H PHE 8 H PHE 8 25.284 9.398 -13.840 57 HA PHE 8 HA PHE 8 22.420 9.676 -13.530 58 1HB PHE 8 1HB PHE 8 22.723 12.242 -13.403 59 2HB PHE 8 2HB PHE 8 22.927 11.304 -11.927 60 HD1 PHE 8 1HD PHE 8 25.174 10.900 -11.017 61 HD2 PHE 8 2HD PHE 8 24.539 13.425 -14.384 62 HE1 PHE 8 1HE PHE 8 27.417 11.866 -10.712 63 HE2 PHE 8 2HE PHE 8 26.781 14.393 -14.086 64 HZ PHE 8 HZ PHE 8 28.223 13.614 -12.248 65 H GLY 9 H GLY 9 21.500 9.975 -15.461 66 1HA GLY 9 2HA GLY 9 21.239 10.870 -17.610 67 2HA GLY 9 1HA GLY 9 22.900 11.440 -17.551 68 H GLU 10 H GLU 10 21.365 8.234 -17.254 69 HA GLU 10 HA GLU 10 23.398 7.170 -19.070 70 1HB GLU 10 1HB GLU 10 21.589 5.984 -17.012 71 2HB GLU 10 2HB GLU 10 22.146 4.960 -18.329 72 1HG GLU 10 1HG GLU 10 24.035 6.549 -16.625 73 2HG GLU 10 2HG GLU 10 23.497 4.928 -16.188 74 H ASP 11 H ASP 11 19.922 6.543 -18.566 75 HA ASP 11 HA ASP 11 19.559 6.661 -21.482 76 1HB ASP 11 1HB ASP 11 19.363 4.336 -19.864 77 2HB ASP 11 2HB ASP 11 17.729 4.767 -20.361 78 H THR 12 H THR 12 17.463 6.052 -18.667 79 HA THR 12 HA THR 12 16.225 8.579 -18.661 80 HB THR 12 HB THR 12 15.360 7.754 -20.863 81 HG1 THR 12 1HG THR 12 13.198 8.366 -20.361 82 1HG2 THR 12 1HG2 THR 12 13.858 5.773 -19.147 83 2HG2 THR 12 2HG2 THR 12 15.168 5.374 -20.259 84 3HG2 THR 12 3HG2 THR 12 13.650 6.021 -20.880 85 H VAL 13 H VAL 13 13.946 8.376 -17.537 86 HA VAL 13 HA VAL 13 14.407 6.830 -15.139 87 HB VAL 13 HB VAL 13 11.902 8.396 -15.647 88 1HG1 VAL 13 1HG1 VAL 13 11.793 7.364 -13.579 89 2HG1 VAL 13 2HG1 VAL 13 13.519 7.563 -13.273 90 3HG1 VAL 13 3HG1 VAL 13 12.438 8.953 -13.169 91 1HG2 VAL 13 1HG2 VAL 13 14.627 9.521 -15.027 92 2HG2 VAL 13 2HG2 VAL 13 13.586 9.912 -16.396 93 3HG2 VAL 13 3HG2 VAL 13 13.121 10.403 -14.767 94 H TRP 14 H TRP 14 12.685 5.512 -14.167 95 HA TRP 14 HA TRP 14 11.266 3.736 -14.193 96 1HB TRP 14 1HB TRP 14 10.228 5.463 -16.385 97 2HB TRP 14 2HB TRP 14 9.626 3.810 -16.300 98 HD1 TRP 14 HD TRP 14 9.837 6.974 -14.080 99 HE1 TRP 14 1HE TRP 14 7.849 6.933 -12.446 100 HE3 TRP 14 3HE TRP 14 7.890 2.402 -15.284 101 HZ2 TRP 14 2HZ TRP 14 5.735 5.193 -11.758 102 HZ3 TRP 14 3HZ TRP 14 5.884 1.624 -14.091 103 HH2 TRP 14 HH TRP 14 4.831 2.992 -12.364 104 H GLU 15 H GLU 15 13.835 3.866 -15.881 105 HA GLU 15 HA GLU 15 13.381 1.298 -17.215 106 1HB GLU 15 1HB GLU 15 14.233 3.827 -18.482 107 2HB GLU 15 2HB GLU 15 15.175 2.408 -18.918 108 1HG GLU 15 1HG GLU 15 12.281 1.998 -18.996 109 2HG GLU 15 2HG GLU 15 12.880 3.202 -20.136 110 H VAL 16 H VAL 16 15.857 3.698 -16.326 111 HA VAL 16 HA VAL 16 17.730 1.502 -15.789 112 HB VAL 16 HB VAL 16 18.472 3.362 -17.283 113 1HG1 VAL 16 1HG1 VAL 16 17.286 5.000 -15.447 114 2HG1 VAL 16 2HG1 VAL 16 18.997 5.183 -15.055 115 3HG1 VAL 16 3HG1 VAL 16 18.424 5.522 -16.689 116 1HG2 VAL 16 1HG2 VAL 16 20.448 3.822 -15.329 117 2HG2 VAL 16 2HG2 VAL 16 19.838 2.189 -15.060 118 3HG2 VAL 16 3HG2 VAL 16 20.474 2.644 -16.641 119 H GLN 17 H GLN 17 15.868 3.983 -14.262 120 HA GLN 17 HA GLN 17 17.280 4.289 -11.864 121 1HB GLN 17 1HB GLN 17 15.459 5.463 -11.106 122 2HB GLN 17 2HB GLN 17 15.155 5.516 -12.837 123 1HG GLN 17 1HG GLN 17 13.657 3.560 -12.585 124 2HG GLN 17 2HG GLN 17 13.893 3.654 -10.840 125 1HE2 GLN 17 1HE2 GLN 17 11.423 3.878 -12.256 126 2HE2 GLN 17 2HE2 GLN 17 10.785 5.449 -11.928 127 H GLY 18 H GLY 18 15.102 1.785 -12.964 128 1HA GLY 18 2HA GLY 18 14.713 -0.318 -12.111 129 2HA GLY 18 1HA GLY 18 15.983 -0.013 -10.935 130 H TYR 19 H TYR 19 12.994 1.814 -11.435 131 HA TYR 19 HA TYR 19 11.790 0.696 -9.052 132 1HB TYR 19 1HB TYR 19 12.842 3.513 -9.164 133 2HB TYR 19 2HB TYR 19 11.496 3.083 -8.115 134 HD1 TYR 19 1HD TYR 19 15.066 3.053 -8.535 135 HD2 TYR 19 2HD TYR 19 11.858 1.314 -6.348 136 HE1 TYR 19 1HE TYR 19 16.656 2.290 -6.820 137 HE2 TYR 19 2HE TYR 19 13.438 0.547 -4.627 138 HH TYR 19 HH TYR 19 16.334 0.059 -4.876 139 H LYS 20 H LYS 20 9.653 1.867 -8.589 140 HA LYS 20 HA LYS 20 8.449 3.128 -10.911 141 1HB LYS 20 1HB LYS 20 7.664 0.403 -9.906 142 2HB LYS 20 2HB LYS 20 6.507 1.435 -10.738 143 1HG LYS 20 1HG LYS 20 7.261 0.334 -12.547 144 2HG LYS 20 2HG LYS 20 8.542 1.546 -12.482 145 1HD LYS 20 1HD LYS 20 10.104 0.047 -11.828 146 2HD LYS 20 2HD LYS 20 8.967 -0.858 -10.827 147 1HE LYS 20 1HE LYS 20 9.657 -2.259 -12.643 148 2HE LYS 20 2HE LYS 20 7.977 -1.794 -12.909 149 1HZ LYS 20 1HZ LYS 20 9.908 -0.017 -14.109 150 2HZ LYS 20 2HZ LYS 20 8.500 -0.687 -14.764 151 3HZ LYS 20 3HZ LYS 20 9.933 -1.586 -14.741 152 H ASN 21 H ASN 21 5.893 3.259 -10.324 153 HA ASN 21 HA ASN 21 5.715 4.127 -7.517 154 1HB ASN 21 1HB ASN 21 4.721 5.592 -9.969 155 2HB ASN 21 2HB ASN 21 4.270 6.019 -8.321 156 1HD2 ASN 21 1HD2 ASN 21 7.149 5.415 -10.298 157 2HD2 ASN 21 2HD2 ASN 21 8.104 6.672 -9.596 158 H VAL 22 H VAL 22 4.168 3.075 -6.477 159 HA VAL 22 HA VAL 22 1.802 2.183 -7.994 160 HB VAL 22 HB VAL 22 3.152 0.773 -5.688 161 1HG1 VAL 22 1HG1 VAL 22 1.264 -0.918 -6.828 162 2HG1 VAL 22 2HG1 VAL 22 1.150 -0.107 -5.265 163 3HG1 VAL 22 3HG1 VAL 22 0.447 0.639 -6.700 164 1HG2 VAL 22 1HG2 VAL 22 2.721 -0.539 -8.303 165 2HG2 VAL 22 2HG2 VAL 22 3.959 0.715 -8.240 166 3HG2 VAL 22 3HG2 VAL 22 4.064 -0.682 -7.169 167 H ARG 23 H ARG 23 -0.092 2.919 -7.289 168 HA ARG 23 HA ARG 23 -0.175 4.268 -4.683 169 1HB ARG 23 1HB ARG 23 -1.263 4.867 -7.284 170 2HB ARG 23 2HB ARG 23 -2.554 4.783 -6.093 171 1HG ARG 23 1HG ARG 23 -0.241 6.288 -5.164 172 2HG ARG 23 2HG ARG 23 -0.984 6.966 -6.614 173 1HD ARG 23 1HD ARG 23 -2.952 6.140 -4.645 174 2HD ARG 23 2HD ARG 23 -1.824 7.334 -4.002 175 HE ARG 23 HE ARG 23 -2.569 8.351 -6.416 176 1HH1 ARG 23 2HH1 ARG 23 -4.280 7.264 -3.586 177 2HH1 ARG 23 1HH1 ARG 23 -5.607 8.356 -3.809 178 1HH2 ARG 23 2HH2 ARG 23 -4.310 9.794 -6.721 179 2HH2 ARG 23 1HH2 ARG 23 -5.623 9.794 -5.593 180 H ILE 24 H ILE 24 -2.036 4.000 -3.321 181 HA ILE 24 HA ILE 24 -3.504 1.487 -3.771 182 HB ILE 24 HB ILE 24 -2.698 2.364 -1.016 183 1HG1 ILE 24 1HG1 ILE 24 -0.612 2.152 -2.251 184 2HG1 ILE 24 2HG1 ILE 24 -0.796 0.782 -1.162 185 1HG2 ILE 24 1HG2 ILE 24 -3.191 -0.417 -2.031 186 2HG2 ILE 24 2HG2 ILE 24 -3.244 0.179 -0.372 187 3HG2 ILE 24 3HG2 ILE 24 -4.509 0.634 -1.513 188 1HD1 ILE 24 1HD1 ILE 24 -1.945 -0.050 -3.551 189 2HD1 ILE 24 2HD1 ILE 24 -0.489 0.828 -4.019 190 3HD1 ILE 24 3HD1 ILE 24 -0.379 -0.525 -2.895 191 H THR 25 H THR 25 -5.624 1.781 -3.786 192 HA THR 25 HA THR 25 -6.943 3.475 -1.879 193 HB THR 25 HB THR 25 -7.083 4.238 -4.803 194 HG1 THR 25 1HG THR 25 -6.055 5.633 -2.537 195 1HG2 THR 25 1HG2 THR 25 -8.414 6.192 -3.731 196 2HG2 THR 25 2HG2 THR 25 -8.657 5.070 -2.392 197 3HG2 THR 25 3HG2 THR 25 -9.228 4.652 -4.007 198 H PHE 26 H PHE 26 -7.954 1.491 -1.375 199 HA PHE 26 HA PHE 26 -9.959 0.631 -3.356 200 1HB PHE 26 1HB PHE 26 -8.328 -1.134 -3.055 201 2HB PHE 26 2HB PHE 26 -8.493 -1.038 -1.305 202 HD1 PHE 26 1HD PHE 26 -9.911 -2.499 -0.232 203 HD2 PHE 26 2HD PHE 26 -10.521 -1.679 -4.363 204 HE1 PHE 26 1HE PHE 26 -11.685 -4.203 -0.305 205 HE2 PHE 26 2HE PHE 26 -12.296 -3.381 -4.443 206 HZ PHE 26 HZ PHE 26 -12.881 -4.645 -2.412 207 H GLU 27 H GLU 27 -9.537 -0.184 0.066 208 HA GLU 27 HA GLU 27 -11.425 1.518 1.175 209 1HB GLU 27 1HB GLU 27 -12.622 -0.549 -0.401 210 2HB GLU 27 2HB GLU 27 -13.010 -0.832 1.291 211 1HG GLU 27 1HG GLU 27 -13.666 1.654 1.335 212 2HG GLU 27 2HG GLU 27 -13.681 1.525 -0.423 213 H LEU 28 H LEU 28 -10.964 1.477 3.267 214 HA LEU 28 HA LEU 28 -10.340 -1.095 4.541 215 1HB LEU 28 1HB LEU 28 -8.590 1.189 4.184 216 2HB LEU 28 2HB LEU 28 -8.789 0.773 5.885 217 HG LEU 28 HG LEU 28 -7.941 -1.444 5.498 218 1HD1 LEU 28 1HD1 LEU 28 -8.709 -2.136 3.433 219 2HD1 LEU 28 2HD1 LEU 28 -6.992 -1.876 3.125 220 3HD1 LEU 28 3HD1 LEU 28 -8.171 -0.665 2.622 221 1HD2 LEU 28 1HD2 LEU 28 -5.759 -0.478 4.089 222 2HD2 LEU 28 2HD2 LEU 28 -5.978 -0.450 5.838 223 3HD2 LEU 28 3HD2 LEU 28 -6.438 0.950 4.869 224 H ASP 29 H ASP 29 -10.847 2.362 5.260 225 HA ASP 29 HA ASP 29 -12.685 1.541 7.410 226 1HB ASP 29 1HB ASP 29 -10.295 2.612 7.964 227 2HB ASP 29 2HB ASP 29 -11.201 4.101 7.706 228 H GLU 30 H GLU 30 -13.804 3.809 8.172 229 HA GLU 30 HA GLU 30 -14.941 4.943 5.701 230 1HB GLU 30 1HB GLU 30 -16.218 4.165 8.303 231 2HB GLU 30 2HB GLU 30 -16.957 5.394 7.286 232 1HG GLU 30 1HG GLU 30 -16.279 3.126 5.688 233 2HG GLU 30 2HG GLU 30 -17.203 2.603 7.095 234 H ARG 31 H ARG 31 -14.046 5.615 9.055 235 HA ARG 31 HA ARG 31 -14.314 8.487 8.580 236 1HB ARG 31 1HB ARG 31 -13.513 7.141 11.158 237 2HB ARG 31 2HB ARG 31 -14.137 8.771 10.938 238 1HG ARG 31 1HG ARG 31 -15.703 6.253 10.420 239 2HG ARG 31 2HG ARG 31 -15.786 7.211 11.900 240 1HD ARG 31 1HD ARG 31 -16.411 9.175 10.429 241 2HD ARG 31 2HD ARG 31 -16.607 8.012 9.119 242 HE ARG 31 HE ARG 31 -18.120 7.057 11.216 243 1HH1 ARG 31 2HH1 ARG 31 -18.022 9.934 9.258 244 2HH1 ARG 31 1HH1 ARG 31 -19.723 10.239 9.390 245 1HH2 ARG 31 2HH2 ARG 31 -20.360 7.447 11.397 246 2HH2 ARG 31 1HH2 ARG 31 -21.051 8.824 10.607 247 H VAL 32 H VAL 32 -11.899 6.024 9.234 248 HA VAL 32 HA VAL 32 -9.793 8.063 8.921 249 HB VAL 32 HB VAL 32 -8.290 6.365 10.029 250 1HG1 VAL 32 1HG1 VAL 32 -8.931 8.219 11.325 251 2HG1 VAL 32 2HG1 VAL 32 -10.587 7.633 11.495 252 3HG1 VAL 32 3HG1 VAL 32 -9.270 6.813 12.334 253 1HG2 VAL 32 1HG2 VAL 32 -9.256 4.571 11.286 254 2HG2 VAL 32 2HG2 VAL 32 -10.890 5.086 10.864 255 3HG2 VAL 32 3HG2 VAL 32 -9.822 4.435 9.621 256 H ASP 33 H ASP 33 -10.837 7.281 6.599 257 HA ASP 33 HA ASP 33 -9.112 5.140 5.565 258 1HB ASP 33 1HB ASP 33 -10.641 4.840 3.803 259 2HB ASP 33 2HB ASP 33 -11.657 5.128 5.213 260 H LYS 34 H LYS 34 -9.985 8.518 5.127 261 HA LYS 34 HA LYS 34 -8.459 8.978 2.791 262 1HB LYS 34 1HB LYS 34 -8.975 11.227 3.063 263 2HB LYS 34 2HB LYS 34 -10.304 10.435 3.899 264 1HG LYS 34 1HG LYS 34 -7.846 11.469 5.288 265 2HG LYS 34 2HG LYS 34 -9.329 12.405 5.083 266 1HD LYS 34 1HD LYS 34 -9.155 9.728 6.465 267 2HD LYS 34 2HD LYS 34 -9.176 11.289 7.289 268 1HE LYS 34 1HE LYS 34 -11.350 11.153 5.430 269 2HE LYS 34 2HE LYS 34 -11.372 9.725 6.464 270 1HZ LYS 34 1HZ LYS 34 -11.151 11.312 8.381 271 2HZ LYS 34 2HZ LYS 34 -12.629 11.365 7.560 272 3HZ LYS 34 3HZ LYS 34 -11.470 12.568 7.292 273 H VAL 35 H VAL 35 -7.614 8.670 6.117 274 HA VAL 35 HA VAL 35 -5.193 10.142 6.096 275 HB VAL 35 HB VAL 35 -6.001 7.824 7.857 276 1HG1 VAL 35 1HG1 VAL 35 -3.625 9.596 7.803 277 2HG1 VAL 35 2HG1 VAL 35 -4.312 9.206 9.381 278 3HG1 VAL 35 3HG1 VAL 35 -3.774 7.913 8.308 279 1HG2 VAL 35 1HG2 VAL 35 -7.246 9.235 9.056 280 2HG2 VAL 35 2HG2 VAL 35 -6.000 10.483 9.030 281 3HG2 VAL 35 3HG2 VAL 35 -7.132 10.338 7.685 282 H LEU 36 H LEU 36 -6.068 7.023 4.918 283 HA LEU 36 HA LEU 36 -3.229 6.363 4.491 284 1HB LEU 36 1HB LEU 36 -3.758 4.090 4.534 285 2HB LEU 36 2HB LEU 36 -4.694 4.793 5.852 286 HG LEU 36 HG LEU 36 -6.422 4.841 3.675 287 1HD1 LEU 36 1HD1 LEU 36 -4.603 2.488 3.571 288 2HD1 LEU 36 2HD1 LEU 36 -5.361 3.390 2.259 289 3HD1 LEU 36 3HD1 LEU 36 -6.315 2.259 3.217 290 1HD2 LEU 36 1HD2 LEU 36 -6.195 2.810 5.895 291 2HD2 LEU 36 2HD2 LEU 36 -7.635 3.139 4.931 292 3HD2 LEU 36 3HD2 LEU 36 -6.993 4.379 6.008 293 H ASN 37 H ASN 37 -5.526 7.875 2.923 294 HA ASN 37 HA ASN 37 -4.925 6.589 0.340 295 1HB ASN 37 1HB ASN 37 -7.450 7.937 1.291 296 2HB ASN 37 2HB ASN 37 -7.116 7.669 -0.418 297 1HD2 ASN 37 1HD2 ASN 37 -9.114 6.574 1.577 298 2HD2 ASN 37 2HD2 ASN 37 -9.025 4.863 1.359 299 H GLU 38 H GLU 38 -5.182 9.554 2.161 300 HA GLU 38 HA GLU 38 -4.111 11.037 -0.149 301 1HB GLU 38 1HB GLU 38 -5.215 12.959 0.548 302 2HB GLU 38 2HB GLU 38 -6.380 11.696 0.924 303 1HG GLU 38 1HG GLU 38 -6.482 12.704 2.914 304 2HG GLU 38 2HG GLU 38 -4.998 11.811 3.243 305 H LYS 39 H LYS 39 -3.550 9.995 3.070 306 HA LYS 39 HA LYS 39 -1.276 11.825 3.375 307 1HB LYS 39 1HB LYS 39 -3.200 10.913 5.186 308 2HB LYS 39 2HB LYS 39 -1.732 10.048 5.619 309 1HG LYS 39 1HG LYS 39 -0.542 12.213 5.739 310 2HG LYS 39 2HG LYS 39 -2.074 13.033 5.427 311 1HD LYS 39 1HD LYS 39 -2.056 11.062 7.632 312 2HD LYS 39 2HD LYS 39 -1.135 12.545 7.896 313 1HE LYS 39 1HE LYS 39 -3.838 12.876 6.757 314 2HE LYS 39 2HE LYS 39 -3.765 12.300 8.421 315 1HZ LYS 39 1HZ LYS 39 -1.952 14.377 8.242 316 2HZ LYS 39 2HZ LYS 39 -3.449 14.392 9.029 317 3HZ LYS 39 3HZ LYS 39 -3.333 14.912 7.424 318 H CYS 40 H CYS 40 -1.950 8.779 2.248 319 HA CYS 40 HA CYS 40 0.720 8.055 1.870 320 1HB CYS 40 1HB CYS 40 -0.332 7.352 4.466 321 2HB CYS 40 2HB CYS 40 0.073 5.901 3.556 322 HG CYS 40 HG CYS 40 2.076 8.119 5.012 323 H SER 41 H SER 41 -0.259 7.725 -0.176 324 HA SER 41 HA SER 41 -1.682 5.154 -0.382 325 1HB SER 41 1HB SER 41 -2.778 6.214 -2.461 326 2HB SER 41 2HB SER 41 -3.371 6.718 -0.879 327 HG SER 41 HG SER 41 -2.279 8.620 -1.072 328 H VAL 42 H VAL 42 0.500 7.473 -1.887 329 HA VAL 42 HA VAL 42 1.207 5.603 -3.998 330 HB VAL 42 HB VAL 42 1.072 7.901 -4.667 331 1HG1 VAL 42 1HG1 VAL 42 2.661 9.587 -3.691 332 2HG1 VAL 42 2HG1 VAL 42 1.371 9.057 -2.611 333 3HG1 VAL 42 3HG1 VAL 42 3.004 8.419 -2.416 334 1HG2 VAL 42 1HG2 VAL 42 3.287 8.248 -5.617 335 2HG2 VAL 42 2HG2 VAL 42 3.973 7.091 -4.476 336 3HG2 VAL 42 3HG2 VAL 42 2.834 6.546 -5.706 337 H TYR 43 H TYR 43 3.022 4.400 -4.083 338 HA TYR 43 HA TYR 43 5.153 4.871 -2.138 339 1HB TYR 43 1HB TYR 43 3.865 2.160 -2.509 340 2HB TYR 43 2HB TYR 43 5.202 2.547 -1.431 341 HD1 TYR 43 1HD TYR 43 1.598 3.161 -2.043 342 HD2 TYR 43 2HD TYR 43 4.806 3.376 0.744 343 HE1 TYR 43 1HE TYR 43 -0.005 3.659 -0.246 344 HE2 TYR 43 2HE TYR 43 3.211 3.873 2.549 345 HH TYR 43 HH TYR 43 0.889 3.631 3.073 346 H THR 44 H THR 44 7.152 3.807 -2.670 347 HA THR 44 HA THR 44 7.448 3.457 -5.558 348 HB THR 44 HB THR 44 9.811 3.433 -3.742 349 HG1 THR 44 1HG THR 44 8.343 5.791 -4.399 350 1HG2 THR 44 1HG2 THR 44 10.691 4.879 -5.616 351 2HG2 THR 44 2HG2 THR 44 9.176 4.566 -6.462 352 3HG2 THR 44 3HG2 THR 44 10.259 3.231 -6.071 353 H VAL 45 H VAL 45 8.635 1.701 -6.447 354 HA VAL 45 HA VAL 45 9.154 -0.590 -4.718 355 HB VAL 45 HB VAL 45 6.904 -1.069 -5.321 356 1HG1 VAL 45 1HG1 VAL 45 5.987 -0.126 -7.109 357 2HG1 VAL 45 2HG1 VAL 45 7.578 0.330 -7.723 358 3HG1 VAL 45 3HG1 VAL 45 6.891 -1.243 -8.131 359 1HG2 VAL 45 1HG2 VAL 45 7.252 -3.194 -5.970 360 2HG2 VAL 45 2HG2 VAL 45 8.105 -2.715 -7.438 361 3HG2 VAL 45 3HG2 VAL 45 8.957 -2.749 -5.894 362 H GLU 46 H GLU 46 10.870 -1.763 -5.367 363 HA GLU 46 HA GLU 46 12.488 -0.791 -7.498 364 1HB GLU 46 1HB GLU 46 13.924 -2.786 -6.939 365 2HB GLU 46 2HB GLU 46 13.607 -1.691 -5.601 366 1HG GLU 46 1HG GLU 46 12.048 -3.179 -4.629 367 2HG GLU 46 2HG GLU 46 12.010 -4.189 -6.073 368 H SER 47 H SER 47 13.561 -2.793 -8.849 369 HA SER 47 HA SER 47 11.390 -3.645 -10.579 370 1HB SER 47 1HB SER 47 13.843 -2.698 -11.167 371 2HB SER 47 2HB SER 47 14.184 -4.428 -11.201 372 HG SER 47 HG SER 47 13.226 -3.112 -13.153 373 H GLY 48 H GLY 48 12.744 -4.880 -7.883 374 1HA GLY 48 2HA GLY 48 12.234 -7.648 -8.773 375 2HA GLY 48 1HA GLY 48 13.610 -7.261 -7.752 376 H THR 49 H THR 49 10.068 -6.975 -7.860 377 HA THR 49 HA THR 49 10.011 -7.700 -5.015 378 HB THR 49 HB THR 49 7.994 -5.718 -5.944 379 HG1 THR 49 1HG THR 49 9.992 -4.823 -6.649 380 1HG2 THR 49 1HG2 THR 49 7.680 -6.436 -3.737 381 2HG2 THR 49 2HG2 THR 49 8.510 -4.889 -3.564 382 3HG2 THR 49 3HG2 THR 49 9.406 -6.397 -3.382 383 H GLU 50 H GLU 50 7.977 -8.598 -4.302 384 HA GLU 50 HA GLU 50 6.466 -9.820 -6.517 385 1HB GLU 50 1HB GLU 50 7.539 -10.894 -3.991 386 2HB GLU 50 2HB GLU 50 5.896 -11.395 -4.369 387 1HG GLU 50 1HG GLU 50 7.540 -11.620 -6.703 388 2HG GLU 50 2HG GLU 50 8.293 -12.462 -5.349 389 H VAL 51 H VAL 51 4.195 -10.174 -6.202 390 HA VAL 51 HA VAL 51 2.833 -7.940 -5.176 391 HB VAL 51 HB VAL 51 1.585 -10.636 -5.697 392 1HG1 VAL 51 1HG1 VAL 51 0.005 -9.196 -4.719 393 2HG1 VAL 51 2HG1 VAL 51 0.566 -7.809 -5.655 394 3HG1 VAL 51 3HG1 VAL 51 -0.312 -9.115 -6.451 395 1HG2 VAL 51 1HG2 VAL 51 2.292 -10.484 -7.801 396 2HG2 VAL 51 2HG2 VAL 51 1.262 -9.063 -7.971 397 3HG2 VAL 51 3HG2 VAL 51 2.958 -8.874 -7.529 398 H THR 52 H THR 52 4.015 -10.733 -3.630 399 HA THR 52 HA THR 52 2.127 -10.583 -1.416 400 HB THR 52 HB THR 52 2.745 -12.811 -2.073 401 HG1 THR 52 1HG THR 52 2.618 -13.096 0.025 402 1HG2 THR 52 1HG2 THR 52 4.818 -12.568 -3.164 403 2HG2 THR 52 2HG2 THR 52 5.173 -13.530 -1.729 404 3HG2 THR 52 3HG2 THR 52 5.563 -11.811 -1.756 405 H GLU 53 H GLU 53 5.306 -9.521 -2.261 406 HA GLU 53 HA GLU 53 6.397 -9.194 0.314 407 1HB GLU 53 1HB GLU 53 7.295 -8.817 -2.255 408 2HB GLU 53 2HB GLU 53 7.190 -7.168 -1.654 409 1HG GLU 53 1HG GLU 53 9.102 -7.424 -0.586 410 2HG GLU 53 2HG GLU 53 8.413 -8.745 0.355 411 H PHE 54 H PHE 54 4.294 -7.174 -1.642 412 HA PHE 54 HA PHE 54 4.491 -4.857 0.001 413 1HB PHE 54 1HB PHE 54 2.130 -5.493 -1.751 414 2HB PHE 54 2HB PHE 54 2.818 -3.920 -1.363 415 HD1 PHE 54 1HD PHE 54 5.426 -3.769 -2.078 416 HD2 PHE 54 2HD PHE 54 2.463 -6.232 -3.886 417 HE1 PHE 54 1HE PHE 54 6.752 -3.837 -4.150 418 HE2 PHE 54 2HE PHE 54 3.784 -6.305 -5.960 419 HZ PHE 54 HZ PHE 54 5.932 -5.107 -6.094 420 H ALA 55 H ALA 55 2.695 -7.790 0.183 421 HA ALA 55 HA ALA 55 0.492 -6.961 1.710 422 1HB ALA 55 1HB ALA 55 1.349 -9.590 2.481 423 2HB ALA 55 2HB ALA 55 -0.053 -9.105 1.527 424 3HB ALA 55 3HB ALA 55 1.497 -9.387 0.735 425 H CYS 56 H CYS 56 3.807 -7.262 2.523 426 HA CYS 56 HA CYS 56 3.176 -7.153 5.394 427 1HB CYS 56 1HB CYS 56 4.836 -8.891 4.236 428 2HB CYS 56 2HB CYS 56 5.970 -7.562 4.446 429 HG CYS 56 HG CYS 56 5.964 -7.525 7.141 430 H VAL 57 H VAL 57 3.387 -5.019 3.129 431 HA VAL 57 HA VAL 57 5.124 -3.178 4.643 432 HB VAL 57 HB VAL 57 4.553 -3.161 1.676 433 1HG1 VAL 57 1HG1 VAL 57 6.168 -1.295 1.603 434 2HG1 VAL 57 2HG1 VAL 57 4.708 -0.897 2.510 435 3HG1 VAL 57 3HG1 VAL 57 6.201 -1.284 3.366 436 1HG2 VAL 57 1HG2 VAL 57 6.420 -4.337 1.391 437 2HG2 VAL 57 2HG2 VAL 57 7.330 -3.262 2.453 438 3HG2 VAL 57 3HG2 VAL 57 6.431 -4.620 3.132 439 H VAL 58 H VAL 58 2.181 -3.483 2.701 440 HA VAL 58 HA VAL 58 1.281 -0.822 3.339 441 HB VAL 58 HB VAL 58 -0.358 -3.061 2.157 442 1HG1 VAL 58 1HG1 VAL 58 -1.926 -1.474 2.496 443 2HG1 VAL 58 2HG1 VAL 58 -0.740 -0.171 2.593 444 3HG1 VAL 58 3HG1 VAL 58 -1.247 -0.787 1.020 445 1HG2 VAL 58 1HG2 VAL 58 0.351 -1.525 0.037 446 2HG2 VAL 58 2HG2 VAL 58 1.826 -1.470 1.002 447 3HG2 VAL 58 3HG2 VAL 58 1.161 -3.023 0.496 448 H ALA 59 H ALA 59 1.016 -3.957 4.737 449 HA ALA 59 HA ALA 59 -1.394 -3.573 6.190 450 1HB ALA 59 1HB ALA 59 -0.767 -5.801 5.933 451 2HB ALA 59 2HB ALA 59 0.896 -5.491 6.435 452 3HB ALA 59 3HB ALA 59 -0.404 -5.461 7.626 453 H GLU 60 H GLU 60 1.980 -2.845 6.827 454 HA GLU 60 HA GLU 60 1.327 -1.934 9.530 455 1HB GLU 60 1HB GLU 60 4.092 -1.669 8.512 456 2HB GLU 60 2HB GLU 60 3.515 -2.229 10.075 457 1HG GLU 60 1HG GLU 60 3.557 -3.802 7.511 458 2HG GLU 60 2HG GLU 60 4.616 -4.022 8.903 459 H ALA 61 H ALA 61 2.496 -0.751 6.426 460 HA ALA 61 HA ALA 61 3.239 1.825 7.075 461 1HB ALA 61 1HB ALA 61 2.254 2.326 4.691 462 2HB ALA 61 2HB ALA 61 3.686 1.315 4.887 463 3HB ALA 61 3HB ALA 61 2.109 0.569 4.623 464 H VAL 62 H VAL 62 0.044 0.451 6.868 465 HA VAL 62 HA VAL 62 -1.261 3.043 6.987 466 HB VAL 62 HB VAL 62 -2.461 0.273 7.128 467 1HG1 VAL 62 1HG1 VAL 62 -3.790 2.936 6.638 468 2HG1 VAL 62 2HG1 VAL 62 -4.581 1.360 6.686 469 3HG1 VAL 62 3HG1 VAL 62 -3.856 2.029 8.148 470 1HG2 VAL 62 1HG2 VAL 62 -3.001 1.803 4.733 471 2HG2 VAL 62 2HG2 VAL 62 -1.272 1.538 4.958 472 3HG2 VAL 62 3HG2 VAL 62 -2.375 0.163 4.904 473 H VAL 63 H VAL 63 -0.347 0.447 9.118 474 HA VAL 63 HA VAL 63 -2.040 1.139 11.294 475 HB VAL 63 HB VAL 63 0.563 -0.394 11.267 476 1HG1 VAL 63 1HG1 VAL 63 0.514 -0.322 13.486 477 2HG1 VAL 63 2HG1 VAL 63 -0.987 0.606 13.459 478 3HG1 VAL 63 3HG1 VAL 63 -1.039 -1.157 13.448 479 1HG2 VAL 63 1HG2 VAL 63 -1.834 -1.103 10.163 480 2HG2 VAL 63 2HG2 VAL 63 -0.598 -2.232 10.716 481 3HG2 VAL 63 3HG2 VAL 63 -1.945 -1.812 11.774 482 H LYS 64 H LYS 64 1.490 1.539 10.938 483 HA LYS 64 HA LYS 64 1.843 3.207 13.146 484 1HB LYS 64 1HB LYS 64 3.964 3.903 12.009 485 2HB LYS 64 2HB LYS 64 3.746 2.162 12.135 486 1HG LYS 64 1HG LYS 64 2.612 2.881 9.684 487 2HG LYS 64 2HG LYS 64 4.120 3.791 9.802 488 1HD LYS 64 1HD LYS 64 3.946 0.837 10.357 489 2HD LYS 64 2HD LYS 64 4.279 1.492 8.752 490 1HE LYS 64 1HE LYS 64 6.262 2.606 9.587 491 2HE LYS 64 2HE LYS 64 5.906 2.066 11.227 492 1HZ LYS 64 1HZ LYS 64 6.343 0.172 8.994 493 2HZ LYS 64 2HZ LYS 64 6.353 -0.152 10.653 494 3HZ LYS 64 3HZ LYS 64 7.611 0.741 9.959 495 H THR 65 H THR 65 0.512 3.871 10.053 496 HA THR 65 HA THR 65 0.879 6.752 10.313 497 HB THR 65 HB THR 65 -0.447 5.124 8.136 498 HG1 THR 65 1HG THR 65 1.443 5.680 6.979 499 1HG2 THR 65 1HG2 THR 65 -0.021 8.084 8.455 500 2HG2 THR 65 2HG2 THR 65 -1.510 7.223 8.065 501 3HG2 THR 65 3HG2 THR 65 -0.217 7.336 6.871 502 H LEU 66 H LEU 66 -1.487 4.321 10.913 503 HA LEU 66 HA LEU 66 -3.509 6.405 11.420 504 1HB LEU 66 1HB LEU 66 -3.858 4.486 9.659 505 2HB LEU 66 2HB LEU 66 -4.243 3.534 11.092 506 HG LEU 66 HG LEU 66 -6.053 5.096 11.636 507 1HD1 LEU 66 1HD1 LEU 66 -4.740 6.700 9.631 508 2HD1 LEU 66 2HD1 LEU 66 -5.960 7.158 10.819 509 3HD1 LEU 66 3HD1 LEU 66 -6.452 6.492 9.262 510 1HD2 LEU 66 1HD2 LEU 66 -6.043 3.841 8.905 511 2HD2 LEU 66 2HD2 LEU 66 -7.480 4.594 9.596 512 3HD2 LEU 66 3HD2 LEU 66 -6.735 3.212 10.400 513 H GLN 67 H GLN 67 -2.045 6.420 13.462 514 HA GLN 67 HA GLN 67 -3.275 4.606 15.427 515 1HB GLN 67 1HB GLN 67 -0.401 5.434 15.143 516 2HB GLN 67 2HB GLN 67 -1.046 4.936 16.702 517 1HG GLN 67 1HG GLN 67 -1.726 3.067 14.597 518 2HG GLN 67 2HG GLN 67 0.015 3.296 14.753 519 1HE2 GLN 67 1HE2 GLN 67 0.452 1.313 15.613 520 2HE2 GLN 67 2HE2 GLN 67 -0.070 0.820 17.184 521 HA PRO 68 HA PRO 68 -3.405 9.287 16.456 522 1HB PRO 68 1HB PRO 68 -5.931 9.855 15.640 523 2HB PRO 68 2HB PRO 68 -4.518 10.047 14.595 524 1HG PRO 68 1HG PRO 68 -6.502 7.808 14.706 525 2HG PRO 68 2HG PRO 68 -5.795 8.608 13.290 526 1HD PRO 68 1HD PRO 68 -4.915 6.215 14.202 527 2HD PRO 68 2HD PRO 68 -3.841 7.394 13.423 528 H VAL 69 H VAL 69 -6.232 7.103 16.460 529 HA VAL 69 HA VAL 69 -6.283 7.055 19.339 530 HB VAL 69 HB VAL 69 -8.795 7.782 19.259 531 1HG1 VAL 69 1HG1 VAL 69 -8.185 9.803 20.180 532 2HG1 VAL 69 2HG1 VAL 69 -6.681 8.891 20.323 533 3HG1 VAL 69 3HG1 VAL 69 -6.884 10.062 19.019 534 1HG2 VAL 69 1HG2 VAL 69 -7.668 9.305 16.911 535 2HG2 VAL 69 2HG2 VAL 69 -8.883 8.031 16.819 536 3HG2 VAL 69 3HG2 VAL 69 -9.254 9.545 17.643 537 H SER 70 H SER 70 -5.881 4.840 18.334 538 HA SER 70 HA SER 70 -8.043 3.464 17.102 539 1HB SER 70 1HB SER 70 -6.574 1.433 18.045 540 2HB SER 70 2HB SER 70 -6.089 2.365 16.629 541 HG SER 70 HG SER 70 -4.565 3.358 17.777 542 H ASP 71 H ASP 71 -7.531 4.473 20.260 543 HA ASP 71 HA ASP 71 -8.657 2.324 21.717 544 1HB ASP 71 1HB ASP 71 -8.838 3.885 23.557 545 2HB ASP 71 2HB ASP 71 -7.305 4.150 22.731 546 H LEU 72 H LEU 72 -10.029 4.549 19.579 547 HA LEU 72 HA LEU 72 -12.695 4.304 20.776 548 1HB LEU 72 1HB LEU 72 -13.366 6.128 19.473 549 2HB LEU 72 2HB LEU 72 -11.748 6.536 20.041 550 HG LEU 72 HG LEU 72 -11.074 5.515 17.685 551 1HD1 LEU 72 1HD1 LEU 72 -12.852 6.443 16.061 552 2HD1 LEU 72 2HD1 LEU 72 -13.957 6.273 17.424 553 3HD1 LEU 72 3HD1 LEU 72 -13.111 4.860 16.793 554 1HD2 LEU 72 1HD2 LEU 72 -10.688 7.821 18.613 555 2HD2 LEU 72 2HD2 LEU 72 -12.226 8.289 17.888 556 3HD2 LEU 72 3HD2 LEU 72 -10.900 7.735 16.864 557 H LEU 73 H LEU 73 -10.742 2.965 18.356 558 HA LEU 73 HA LEU 73 -12.969 2.142 16.672 559 1HB LEU 73 1HB LEU 73 -10.156 1.183 16.345 560 2HB LEU 73 2HB LEU 73 -11.399 1.426 15.120 561 HG LEU 73 HG LEU 73 -10.027 3.679 16.577 562 1HD1 LEU 73 1HD1 LEU 73 -9.411 2.556 13.848 563 2HD1 LEU 73 2HD1 LEU 73 -8.403 2.370 15.284 564 3HD1 LEU 73 3HD1 LEU 73 -8.667 3.971 14.593 565 1HD2 LEU 73 1HD2 LEU 73 -11.198 5.105 15.260 566 2HD2 LEU 73 2HD2 LEU 73 -12.363 3.781 15.290 567 3HD2 LEU 73 3HD2 LEU 73 -11.279 3.972 13.911 568 H THR 74 H THR 74 -11.037 0.937 19.255 569 HA THR 74 HA THR 74 -11.502 -1.847 18.763 570 HB THR 74 HB THR 74 -10.925 -1.053 21.539 571 HG1 THR 74 1HG THR 74 -9.202 -0.333 19.387 572 1HG2 THR 74 1HG2 THR 74 -9.931 -3.008 19.512 573 2HG2 THR 74 2HG2 THR 74 -10.532 -3.290 21.147 574 3HG2 THR 74 3HG2 THR 74 -8.918 -2.622 20.903 575 H ASN 75 H ASN 75 -13.446 0.646 19.885 576 HA ASN 75 HA ASN 75 -15.064 -1.056 21.617 577 1HB ASN 75 1HB ASN 75 -16.327 0.987 22.113 578 2HB ASN 75 2HB ASN 75 -14.602 1.242 22.354 579 1HD2 ASN 75 1HD2 ASN 75 -14.529 3.397 22.028 580 2HD2 ASN 75 2HD2 ASN 75 -14.918 4.165 20.530 581 H MET 76 H MET 76 -14.878 -0.174 18.370 582 HA MET 76 HA MET 76 -17.735 -0.709 17.929 583 1HB MET 76 1HB MET 76 -17.230 0.173 15.598 584 2HB MET 76 2HB MET 76 -17.161 1.344 16.909 585 1HG MET 76 1HG MET 76 -14.802 1.371 16.890 586 2HG MET 76 2HG MET 76 -14.723 -0.054 15.857 587 1HE MET 76 1HE MET 76 -14.260 4.077 14.747 588 2HE MET 76 2HE MET 76 -15.873 4.041 15.460 589 3HE MET 76 3HE MET 76 -14.502 3.369 16.344 590 H GLY 77 H GLY 77 -14.583 -1.997 17.537 591 1HA GLY 77 2HA GLY 77 -14.686 -4.482 17.155 592 2HA GLY 77 1HA GLY 77 -15.644 -4.085 15.736 593 H ILE 78 H ILE 78 -13.934 -1.693 15.215 594 HA ILE 78 HA ILE 78 -12.082 -2.953 13.471 595 HB ILE 78 HB ILE 78 -12.410 -0.069 14.288 596 1HG1 ILE 78 1HG1 ILE 78 -12.992 -1.421 11.649 597 2HG1 ILE 78 2HG1 ILE 78 -14.199 -1.206 12.912 598 1HG2 ILE 78 1HG2 ILE 78 -10.939 0.422 12.323 599 2HG2 ILE 78 2HG2 ILE 78 -10.115 -0.317 13.695 600 3HG2 ILE 78 3HG2 ILE 78 -10.525 -1.291 12.283 601 1HD1 ILE 78 1HD1 ILE 78 -14.648 0.801 12.112 602 2HD1 ILE 78 2HD1 ILE 78 -12.993 1.306 12.456 603 3HD1 ILE 78 3HD1 ILE 78 -13.394 0.608 10.887 604 H ASP 79 H ASP 79 -10.383 -4.024 14.265 605 HA ASP 79 HA ASP 79 -8.968 -3.028 16.605 606 1HB ASP 79 1HB ASP 79 -9.461 -5.583 15.537 607 2HB ASP 79 2HB ASP 79 -7.727 -5.322 15.371 608 H LEU 80 H LEU 80 -7.066 -1.996 16.568 609 HA LEU 80 HA LEU 80 -5.918 -1.338 13.976 610 1HB LEU 80 1HB LEU 80 -6.399 0.318 15.876 611 2HB LEU 80 2HB LEU 80 -4.954 -0.344 16.639 612 HG LEU 80 HG LEU 80 -4.633 1.805 15.378 613 1HD1 LEU 80 1HD1 LEU 80 -2.921 -0.190 14.025 614 2HD1 LEU 80 2HD1 LEU 80 -2.938 -0.218 15.788 615 3HD1 LEU 80 3HD1 LEU 80 -2.483 1.257 14.934 616 1HD2 LEU 80 1HD2 LEU 80 -6.150 1.180 13.497 617 2HD2 LEU 80 2HD2 LEU 80 -4.916 0.047 12.945 618 3HD2 LEU 80 3HD2 LEU 80 -4.570 1.777 12.988 619 H ASP 81 H ASP 81 -5.149 -3.141 16.869 620 HA ASP 81 HA ASP 81 -2.384 -3.521 16.263 621 1HB ASP 81 1HB ASP 81 -4.251 -4.335 18.347 622 2HB ASP 81 2HB ASP 81 -3.131 -5.624 17.915 623 H GLU 82 H GLU 82 -5.314 -5.001 15.233 624 HA GLU 82 HA GLU 82 -4.135 -7.497 14.428 625 1HB GLU 82 1HB GLU 82 -6.255 -8.140 13.785 626 2HB GLU 82 2HB GLU 82 -6.625 -6.943 15.018 627 1HG GLU 82 1HG GLU 82 -6.823 -5.261 13.147 628 2HG GLU 82 2HG GLU 82 -6.758 -6.627 12.036 629 H TRP 83 H TRP 83 -4.757 -4.390 12.968 630 HA TRP 83 HA TRP 83 -4.615 -5.009 10.271 631 1HB TRP 83 1HB TRP 83 -3.785 -2.580 11.839 632 2HB TRP 83 2HB TRP 83 -3.553 -2.654 10.095 633 HD1 TRP 83 HD TRP 83 -6.679 -4.340 11.336 634 HE1 TRP 83 1HE TRP 83 -8.729 -2.905 10.733 635 HE3 TRP 83 3HE TRP 83 -4.276 -0.093 9.814 636 HZ2 TRP 83 2HZ TRP 83 -9.257 -0.315 9.742 637 HZ3 TRP 83 3HZ TRP 83 -5.627 1.818 9.052 638 HH2 TRP 83 HH TRP 83 -8.065 1.707 9.017 639 H SER 84 H SER 84 -2.042 -4.695 12.637 640 HA SER 84 HA SER 84 0.075 -4.801 10.704 641 1HB SER 84 1HB SER 84 1.284 -5.481 13.043 642 2HB SER 84 2HB SER 84 0.965 -3.819 12.547 643 HG SER 84 HG SER 84 -0.352 -3.658 14.163 644 H VAL 85 H VAL 85 -1.777 -7.108 12.523 645 HA VAL 85 HA VAL 85 -0.066 -9.280 11.497 646 HB VAL 85 HB VAL 85 -0.922 -10.689 13.297 647 1HG1 VAL 85 1HG1 VAL 85 0.559 -9.930 14.830 648 2HG1 VAL 85 2HG1 VAL 85 0.984 -8.818 13.526 649 3HG1 VAL 85 3HG1 VAL 85 -0.098 -8.294 14.817 650 1HG2 VAL 85 1HG2 VAL 85 -2.960 -8.771 13.436 651 2HG2 VAL 85 2HG2 VAL 85 -2.768 -10.208 14.439 652 3HG2 VAL 85 3HG2 VAL 85 -2.093 -8.667 14.968 653 H ALA 86 H ALA 86 -2.012 -8.068 9.865 654 HA ALA 86 HA ALA 86 -4.116 -10.127 9.748 655 1HB ALA 86 1HB ALA 86 -4.649 -7.892 8.031 656 2HB ALA 86 2HB ALA 86 -5.592 -8.509 9.389 657 3HB ALA 86 3HB ALA 86 -4.310 -7.330 9.669 658 H THR 87 H THR 87 -4.974 -9.857 7.189 659 HA THR 87 HA THR 87 -2.602 -10.512 5.566 660 HB THR 87 HB THR 87 -5.265 -11.802 5.063 661 HG1 THR 87 1HG THR 87 -3.287 -13.086 6.614 662 1HG2 THR 87 1HG2 THR 87 -3.593 -12.022 3.327 663 2HG2 THR 87 2HG2 THR 87 -3.812 -13.579 4.125 664 3HG2 THR 87 3HG2 THR 87 -2.404 -12.586 4.500 665 H PHE 88 H PHE 88 -2.425 -8.627 4.436 666 HA PHE 88 HA PHE 88 -4.791 -7.541 3.110 667 1HB PHE 88 1HB PHE 88 -2.060 -6.494 3.731 668 2HB PHE 88 2HB PHE 88 -2.959 -5.783 2.395 669 HD1 PHE 88 1HD PHE 88 -3.768 -3.733 3.033 670 HD2 PHE 88 2HD PHE 88 -3.989 -6.983 5.773 671 HE1 PHE 88 1HE PHE 88 -4.996 -2.308 4.620 672 HE2 PHE 88 2HE PHE 88 -5.218 -5.564 7.363 673 HZ PHE 88 HZ PHE 88 -5.724 -3.224 6.787 674 H TYR 89 H TYR 89 -5.273 -8.472 1.231 675 HA TYR 89 HA TYR 89 -3.165 -9.522 -0.479 676 1HB TYR 89 1HB TYR 89 -6.176 -9.622 -0.755 677 2HB TYR 89 2HB TYR 89 -5.035 -10.421 -1.831 678 HD1 TYR 89 1HD TYR 89 -7.132 -10.901 0.904 679 HD2 TYR 89 2HD TYR 89 -3.269 -11.964 -0.528 680 HE1 TYR 89 1HE TYR 89 -7.135 -12.872 2.376 681 HE2 TYR 89 2HE TYR 89 -3.262 -13.939 0.939 682 HH TYR 89 HH TYR 89 -6.037 -14.686 3.028 683 H LEU 90 H LEU 90 -2.505 -8.636 -2.351 684 HA LEU 90 HA LEU 90 -3.483 -5.976 -3.000 685 1HB LEU 90 1HB LEU 90 -1.154 -7.616 -3.963 686 2HB LEU 90 2HB LEU 90 -1.585 -6.065 -4.680 687 HG LEU 90 HG LEU 90 0.198 -5.672 -3.164 688 1HD1 LEU 90 1HD1 LEU 90 -2.247 -4.886 -1.609 689 2HD1 LEU 90 2HD1 LEU 90 -1.820 -4.127 -3.142 690 3HD1 LEU 90 3HD1 LEU 90 -0.718 -4.022 -1.769 691 1HD2 LEU 90 1HD2 LEU 90 -0.156 -7.808 -1.887 692 2HD2 LEU 90 2HD2 LEU 90 -1.406 -6.967 -0.969 693 3HD2 LEU 90 3HD2 LEU 90 0.265 -6.404 -0.906 694 H PHE 91 H PHE 91 -4.156 -5.354 -5.101 695 HA PHE 91 HA PHE 91 -4.719 -7.404 -7.065 696 1HB PHE 91 1HB PHE 91 -6.778 -6.335 -5.266 697 2HB PHE 91 2HB PHE 91 -7.195 -6.221 -6.973 698 HD1 PHE 91 1HD PHE 91 -6.436 -8.513 -8.282 699 HD2 PHE 91 2HD PHE 91 -7.625 -8.173 -4.209 700 HE1 PHE 91 1HE PHE 91 -7.097 -10.883 -8.281 701 HE2 PHE 91 2HE PHE 91 -8.286 -10.542 -4.201 702 HZ PHE 91 HZ PHE 91 -8.022 -11.901 -6.238 703 H ASP 92 H ASP 92 -6.009 -6.340 -8.954 704 HA ASP 92 HA ASP 92 -5.122 -3.557 -9.304 705 1HB ASP 92 1HB ASP 92 -4.585 -5.926 -11.051 706 2HB ASP 92 2HB ASP 92 -4.794 -4.345 -11.798 707 H ASP 93 H ASP 93 -6.113 -2.820 -11.597 708 HA ASP 93 HA ASP 93 -8.913 -2.704 -11.170 709 1HB ASP 93 1HB ASP 93 -8.997 -1.263 -13.043 710 2HB ASP 93 2HB ASP 93 -7.434 -0.952 -12.293 711 H ALA 94 H ALA 94 -6.965 -5.023 -12.645 712 HA ALA 94 HA ALA 94 -9.103 -5.976 -14.407 713 1HB ALA 94 1HB ALA 94 -6.335 -7.127 -14.157 714 2HB ALA 94 2HB ALA 94 -7.488 -7.331 -15.477 715 3HB ALA 94 3HB ALA 94 -6.718 -5.767 -15.213 716 H GLY 95 H GLY 95 -8.420 -6.267 -11.268 717 1HA GLY 95 2HA GLY 95 -9.174 -7.752 -9.676 718 2HA GLY 95 1HA GLY 95 -9.912 -8.683 -10.971 719 H GLU 96 H GLU 96 -6.502 -7.900 -10.904 720 HA GLU 96 HA GLU 96 -5.903 -10.691 -10.188 721 1HB GLU 96 1HB GLU 96 -4.169 -10.770 -11.885 722 2HB GLU 96 2HB GLU 96 -5.715 -10.386 -12.628 723 1HG GLU 96 1HG GLU 96 -5.106 -8.057 -12.786 724 2HG GLU 96 2HG GLU 96 -3.594 -8.367 -11.935 725 H GLU 97 H GLU 97 -3.735 -11.038 -9.356 726 HA GLU 97 HA GLU 97 -2.953 -8.909 -7.579 727 1HB GLU 97 1HB GLU 97 -2.583 -11.773 -7.741 728 2HB GLU 97 2HB GLU 97 -1.057 -10.967 -7.405 729 1HG GLU 97 1HG GLU 97 -2.069 -9.841 -5.491 730 2HG GLU 97 2HG GLU 97 -3.600 -10.647 -5.827 731 H ASN 98 H ASN 98 -2.187 -7.319 -9.028 732 HA ASN 98 HA ASN 98 0.497 -7.899 -10.086 733 1HB ASN 98 1HB ASN 98 -1.833 -6.614 -11.446 734 2HB ASN 98 2HB ASN 98 -0.216 -6.029 -11.824 735 1HD2 ASN 98 1HD2 ASN 98 -1.888 -9.131 -11.387 736 2HD2 ASN 98 2HD2 ASN 98 -1.185 -9.896 -12.767 737 H PHE 99 H PHE 99 1.772 -5.861 -10.467 738 HA PHE 99 HA PHE 99 1.183 -3.911 -8.338 739 1HB PHE 99 1HB PHE 99 3.761 -3.545 -8.486 740 2HB PHE 99 2HB PHE 99 3.138 -4.943 -7.615 741 HD1 PHE 99 1HD PHE 99 4.878 -3.798 -10.619 742 HD2 PHE 99 2HD PHE 99 3.420 -7.176 -8.480 743 HE1 PHE 99 1HE PHE 99 6.232 -5.279 -12.042 744 HE2 PHE 99 2HE PHE 99 4.773 -8.663 -9.898 745 HZ PHE 99 HZ PHE 99 6.182 -7.715 -11.682 746 H SER 100 H SER 100 -0.087 -3.155 -10.417 747 HA SER 100 HA SER 100 1.499 -1.742 -12.358 748 1HB SER 100 1HB SER 100 -0.786 -2.788 -12.782 749 2HB SER 100 2HB SER 100 -1.468 -1.426 -11.893 750 HG SER 100 HG SER 100 0.003 -1.378 -14.311 751 H SER 101 H SER 101 0.160 0.621 -12.723 752 HA SER 101 HA SER 101 1.476 2.398 -11.085 753 1HB SER 101 1HB SER 101 -0.575 2.549 -13.115 754 2HB SER 101 2HB SER 101 -0.885 3.724 -11.837 755 HG SER 101 HG SER 101 1.543 4.116 -12.162 756 H ARG 102 H ARG 102 -1.553 0.765 -10.544 757 HA ARG 102 HA ARG 102 -1.560 1.691 -7.793 758 1HB ARG 102 1HB ARG 102 -2.908 3.385 -8.950 759 2HB ARG 102 2HB ARG 102 -3.936 2.121 -9.612 760 1HG ARG 102 1HG ARG 102 -4.187 1.545 -7.018 761 2HG ARG 102 2HG ARG 102 -3.856 3.274 -6.896 762 1HD ARG 102 1HD ARG 102 -6.093 1.906 -8.368 763 2HD ARG 102 2HD ARG 102 -6.209 3.046 -7.028 764 HE ARG 102 HE ARG 102 -5.910 3.673 -9.813 765 1HH1 ARG 102 2HH1 ARG 102 -5.367 4.791 -6.561 766 2HH1 ARG 102 1HH1 ARG 102 -5.362 6.467 -6.999 767 1HH2 ARG 102 2HH2 ARG 102 -5.904 5.877 -10.402 768 2HH2 ARG 102 1HH2 ARG 102 -5.668 7.084 -9.184 769 H MET 103 H MET 103 -2.249 0.148 -6.423 770 HA MET 103 HA MET 103 -3.697 -2.152 -7.554 771 1HB MET 103 1HB MET 103 -2.397 -3.623 -6.048 772 2HB MET 103 2HB MET 103 -1.389 -2.816 -7.241 773 1HG MET 103 1HG MET 103 -0.897 -1.096 -5.444 774 2HG MET 103 2HG MET 103 -1.635 -2.227 -4.312 775 1HE MET 103 1HE MET 103 -0.025 -2.492 -2.856 776 2HE MET 103 2HE MET 103 1.311 -3.636 -2.989 777 3HE MET 103 3HE MET 103 1.575 -1.926 -3.337 778 H TYR 104 H TYR 104 -5.442 -2.807 -6.444 779 HA TYR 104 HA TYR 104 -6.289 -1.258 -4.169 780 1HB TYR 104 1HB TYR 104 -7.592 -3.582 -5.601 781 2HB TYR 104 2HB TYR 104 -8.350 -2.650 -4.315 782 HD1 TYR 104 1HD TYR 104 -7.935 0.072 -4.870 783 HD2 TYR 104 2HD TYR 104 -8.485 -3.090 -7.663 784 HE1 TYR 104 1HE TYR 104 -8.766 1.688 -6.528 785 HE2 TYR 104 2HE TYR 104 -9.316 -1.483 -9.328 786 HH TYR 104 HH TYR 104 -9.548 0.696 -9.828 787 H CYS 105 H CYS 105 -6.748 -2.033 -2.096 788 HA CYS 105 HA CYS 105 -5.401 -4.561 -1.406 789 1HB CYS 105 1HB CYS 105 -5.105 -3.489 0.880 790 2HB CYS 105 2HB CYS 105 -4.140 -2.808 -0.424 791 HG CYS 105 HG CYS 105 -7.084 -1.413 0.614 792 H SER 106 H SER 106 -7.092 -5.962 -1.369 793 HA SER 106 HA SER 106 -9.448 -5.243 0.230 794 1HB SER 106 1HB SER 106 -9.847 -7.742 -1.038 795 2HB SER 106 2HB SER 106 -10.600 -6.198 -1.436 796 HG SER 106 HG SER 106 -9.479 -7.117 -3.218 797 H PHE 107 H PHE 107 -10.254 -6.663 1.816 798 HA PHE 107 HA PHE 107 -8.218 -8.023 3.300 799 1HB PHE 107 1HB PHE 107 -10.575 -6.801 3.969 800 2HB PHE 107 2HB PHE 107 -11.009 -8.503 4.094 801 HD1 PHE 107 1HD PHE 107 -9.706 -5.766 5.819 802 HD2 PHE 107 2HD PHE 107 -9.233 -9.975 5.396 803 HE1 PHE 107 1HE PHE 107 -8.644 -5.867 8.036 804 HE2 PHE 107 2HE PHE 107 -8.171 -10.082 7.612 805 HZ PHE 107 HZ PHE 107 -7.876 -8.027 8.936 806 H TYR 108 H TYR 108 -11.299 -9.122 1.875 807 HA TYR 108 HA TYR 108 -11.016 -11.830 2.333 808 1HB TYR 108 1HB TYR 108 -12.616 -12.178 0.546 809 2HB TYR 108 2HB TYR 108 -13.066 -10.738 1.453 810 HD1 TYR 108 1HD TYR 108 -12.243 -12.073 -1.773 811 HD2 TYR 108 2HD TYR 108 -12.469 -8.470 0.479 812 HE1 TYR 108 1HE TYR 108 -12.278 -10.777 -3.862 813 HE2 TYR 108 2HE TYR 108 -12.506 -7.164 -1.604 814 HH TYR 108 HH TYR 108 -11.553 -8.215 -4.450 815 HA PRO 109 HA PRO 109 -7.817 -13.321 -0.276 816 1HB PRO 109 1HB PRO 109 -8.773 -15.775 -0.937 817 2HB PRO 109 2HB PRO 109 -8.166 -15.384 0.676 818 1HG PRO 109 1HG PRO 109 -10.991 -15.505 -0.307 819 2HG PRO 109 2HG PRO 109 -10.308 -16.110 1.214 820 1HD PRO 109 1HD PRO 109 -11.668 -13.774 1.054 821 2HD PRO 109 2HD PRO 109 -10.336 -14.027 2.201 822 HA PRO 110 HA PRO 110 -8.687 -12.727 -4.545 823 1HB PRO 110 1HB PRO 110 -7.039 -14.519 -5.747 824 2HB PRO 110 2HB PRO 110 -6.450 -13.052 -4.956 825 1HG PRO 110 1HG PRO 110 -6.533 -15.859 -3.920 826 2HG PRO 110 2HG PRO 110 -5.236 -14.656 -3.790 827 1HD PRO 110 1HD PRO 110 -6.948 -15.178 -1.758 828 2HD PRO 110 2HD PRO 110 -6.250 -13.569 -2.029 829 H ASP 111 H ASP 111 -8.446 -16.210 -3.805 830 HA ASP 111 HA ASP 111 -11.064 -16.843 -4.532 831 1HB ASP 111 1HB ASP 111 -9.329 -16.461 -6.783 832 2HB ASP 111 2HB ASP 111 -9.782 -18.160 -6.688 833 H GLU 112 H GLU 112 -7.716 -17.868 -4.338 834 HA GLU 112 HA GLU 112 -7.980 -20.612 -4.233 835 1HB GLU 112 1HB GLU 112 -5.968 -18.726 -3.647 836 2HB GLU 112 2HB GLU 112 -6.101 -19.755 -2.228 837 1HG GLU 112 1HG GLU 112 -4.737 -21.141 -3.300 838 2HG GLU 112 2HG GLU 112 -6.136 -21.565 -4.285 Start of MODEL 11 1 1H ALA 1 1H ALA 1 14.858 11.557 -10.946 2 HA ALA 1 HA ALA 1 13.242 10.080 -9.017 3 1HB ALA 1 1HB ALA 1 14.710 8.303 -10.643 4 2HB ALA 1 2HB ALA 1 12.989 8.681 -10.719 5 3HB ALA 1 3HB ALA 1 14.139 9.607 -11.685 6 HA PRO 2 HA PRO 2 16.513 8.927 -6.329 7 1HB PRO 2 1HB PRO 2 15.928 6.334 -5.777 8 2HB PRO 2 2HB PRO 2 14.979 7.687 -5.150 9 1HG PRO 2 1HG PRO 2 14.422 5.908 -7.492 10 2HG PRO 2 2HG PRO 2 13.309 6.493 -6.242 11 1HD PRO 2 1HD PRO 2 13.447 7.606 -8.706 12 2HD PRO 2 2HD PRO 2 13.053 8.548 -7.254 13 H ILE 3 H ILE 3 15.952 6.848 -9.109 14 HA ILE 3 HA ILE 3 17.334 5.563 -10.386 15 HB ILE 3 HB ILE 3 19.765 7.025 -9.533 16 1HG1 ILE 3 1HG1 ILE 3 17.423 8.368 -10.896 17 2HG1 ILE 3 2HG1 ILE 3 18.145 8.812 -9.353 18 1HG2 ILE 3 1HG2 ILE 3 19.073 7.154 -12.321 19 2HG2 ILE 3 2HG2 ILE 3 20.450 6.374 -11.543 20 3HG2 ILE 3 3HG2 ILE 3 18.928 5.502 -11.723 21 1HD1 ILE 3 1HD1 ILE 3 19.263 9.161 -12.108 22 2HD1 ILE 3 2HD1 ILE 3 18.952 10.383 -10.875 23 3HD1 ILE 3 3HD1 ILE 3 20.280 9.240 -10.670 24 H LYS 4 H LYS 4 19.651 4.424 -10.307 25 HA LYS 4 HA LYS 4 19.525 2.647 -8.077 26 1HB LYS 4 1HB LYS 4 21.540 1.606 -9.128 27 2HB LYS 4 2HB LYS 4 20.165 1.760 -10.214 28 1HG LYS 4 1HG LYS 4 21.343 2.972 -11.646 29 2HG LYS 4 2HG LYS 4 21.853 4.086 -10.376 30 1HD LYS 4 1HD LYS 4 23.492 2.174 -9.725 31 2HD LYS 4 2HD LYS 4 23.188 1.598 -11.366 32 1HE LYS 4 1HE LYS 4 23.796 3.914 -12.161 33 2HE LYS 4 2HE LYS 4 24.341 4.248 -10.518 34 1HZ LYS 4 1HZ LYS 4 25.898 3.241 -12.446 35 2HZ LYS 4 2HZ LYS 4 25.393 1.818 -11.684 36 3HZ LYS 4 3HZ LYS 4 26.180 3.021 -10.792 37 H GLY 5 H GLY 5 20.825 5.677 -8.383 38 1HA GLY 5 2HA GLY 5 21.796 6.467 -6.211 39 2HA GLY 5 1HA GLY 5 22.903 5.110 -6.360 40 H VAL 6 H VAL 6 23.796 5.172 -8.866 41 HA VAL 6 HA VAL 6 25.046 7.831 -9.085 42 HB VAL 6 HB VAL 6 26.219 5.322 -10.249 43 1HG1 VAL 6 1HG1 VAL 6 28.254 6.954 -9.437 44 2HG1 VAL 6 2HG1 VAL 6 27.580 6.903 -11.067 45 3HG1 VAL 6 3HG1 VAL 6 27.018 8.116 -9.916 46 1HG2 VAL 6 1HG2 VAL 6 26.509 6.353 -7.434 47 2HG2 VAL 6 2HG2 VAL 6 25.953 4.760 -7.949 48 3HG2 VAL 6 3HG2 VAL 6 27.639 5.223 -8.179 49 H THR 7 H THR 7 25.679 8.497 -11.277 50 HA THR 7 HA THR 7 25.229 8.950 -13.463 51 HB THR 7 HB THR 7 23.968 6.203 -13.555 52 HG1 THR 7 1HG THR 7 26.201 6.218 -12.869 53 1HG2 THR 7 1HG2 THR 7 24.514 8.288 -15.555 54 2HG2 THR 7 2HG2 THR 7 23.368 6.948 -15.597 55 3HG2 THR 7 3HG2 THR 7 25.062 6.672 -16.002 56 H PHE 8 H PHE 8 23.565 9.783 -14.759 57 HA PHE 8 HA PHE 8 20.807 9.313 -14.164 58 1HB PHE 8 1HB PHE 8 20.390 11.764 -13.556 59 2HB PHE 8 2HB PHE 8 21.089 10.740 -12.305 60 HD1 PHE 8 1HD PHE 8 23.482 10.938 -11.741 61 HD2 PHE 8 2HD PHE 8 21.579 13.609 -14.454 62 HE1 PHE 8 1HE PHE 8 25.351 12.518 -11.491 63 HE2 PHE 8 2HE PHE 8 23.446 15.192 -14.210 64 HZ PHE 8 HZ PHE 8 25.336 14.648 -12.727 65 H GLY 9 H GLY 9 19.517 9.900 -15.843 66 1HA GLY 9 2HA GLY 9 18.903 10.724 -17.898 67 2HA GLY 9 1HA GLY 9 20.105 11.985 -17.669 68 H GLU 10 H GLU 10 20.107 8.458 -18.223 69 HA GLU 10 HA GLU 10 22.228 8.888 -20.220 70 1HB GLU 10 1HB GLU 10 21.767 6.782 -18.185 71 2HB GLU 10 2HB GLU 10 22.398 6.246 -19.736 72 1HG GLU 10 1HG GLU 10 23.660 8.482 -18.185 73 2HG GLU 10 2HG GLU 10 24.080 6.791 -17.918 74 H ASP 11 H ASP 11 19.170 7.311 -19.552 75 HA ASP 11 HA ASP 11 18.802 6.916 -22.430 76 1HB ASP 11 1HB ASP 11 19.506 4.782 -20.992 77 2HB ASP 11 2HB ASP 11 17.780 4.766 -20.641 78 H THR 12 H THR 12 17.048 6.225 -19.400 79 HA THR 12 HA THR 12 15.145 8.273 -19.712 80 HB THR 12 HB THR 12 14.450 6.853 -21.648 81 HG1 THR 12 1HG THR 12 12.724 7.946 -21.019 82 1HG2 THR 12 1HG2 THR 12 14.199 4.648 -21.451 83 2HG2 THR 12 2HG2 THR 12 13.039 4.860 -20.140 84 3HG2 THR 12 3HG2 THR 12 14.764 4.767 -19.785 85 H VAL 13 H VAL 13 13.094 7.731 -18.337 86 HA VAL 13 HA VAL 13 14.083 6.595 -15.833 87 HB VAL 13 HB VAL 13 11.426 7.952 -16.107 88 1HG1 VAL 13 1HG1 VAL 13 11.483 7.514 -13.921 89 2HG1 VAL 13 2HG1 VAL 13 13.196 7.094 -13.971 90 3HG1 VAL 13 3HG1 VAL 13 12.705 8.780 -13.803 91 1HG2 VAL 13 1HG2 VAL 13 14.112 9.191 -16.364 92 2HG2 VAL 13 2HG2 VAL 13 12.575 9.659 -17.091 93 3HG2 VAL 13 3HG2 VAL 13 12.903 10.038 -15.400 94 H TRP 14 H TRP 14 12.526 5.340 -14.493 95 HA TRP 14 HA TRP 14 11.213 3.514 -14.156 96 1HB TRP 14 1HB TRP 14 9.895 4.860 -16.463 97 2HB TRP 14 2HB TRP 14 9.406 3.207 -16.097 98 HD1 TRP 14 HD TRP 14 9.736 6.589 -14.213 99 HE1 TRP 14 1HE TRP 14 7.840 6.712 -12.477 100 HE3 TRP 14 3HE TRP 14 7.659 1.977 -14.954 101 HZ2 TRP 14 2HZ TRP 14 5.741 5.070 -11.545 102 HZ3 TRP 14 3HZ TRP 14 5.709 1.330 -13.599 103 HH2 TRP 14 HH TRP 14 4.772 2.846 -11.930 104 H GLU 15 H GLU 15 13.618 3.558 -16.088 105 HA GLU 15 HA GLU 15 13.221 0.809 -17.027 106 1HB GLU 15 1HB GLU 15 14.052 3.176 -18.657 107 2HB GLU 15 2HB GLU 15 14.715 1.594 -19.043 108 1HG GLU 15 1HG GLU 15 11.789 2.291 -18.935 109 2HG GLU 15 2HG GLU 15 12.757 2.120 -20.398 110 H VAL 16 H VAL 16 15.490 3.424 -16.317 111 HA VAL 16 HA VAL 16 17.601 1.429 -15.858 112 HB VAL 16 HB VAL 16 18.111 4.380 -15.880 113 1HG1 VAL 16 1HG1 VAL 16 19.660 1.927 -15.887 114 2HG1 VAL 16 2HG1 VAL 16 20.144 3.028 -17.178 115 3HG1 VAL 16 3HG1 VAL 16 20.155 3.574 -15.501 116 1HG2 VAL 16 1HG2 VAL 16 16.851 4.032 -17.903 117 2HG2 VAL 16 2HG2 VAL 16 18.554 4.227 -18.316 118 3HG2 VAL 16 3HG2 VAL 16 17.826 2.621 -18.313 119 H GLN 17 H GLN 17 15.853 4.101 -14.373 120 HA GLN 17 HA GLN 17 17.275 4.441 -12.035 121 1HB GLN 17 1HB GLN 17 15.473 5.620 -11.263 122 2HB GLN 17 2HB GLN 17 15.063 5.559 -12.972 123 1HG GLN 17 1HG GLN 17 13.644 3.581 -12.509 124 2HG GLN 17 2HG GLN 17 13.980 3.793 -10.792 125 1HE2 GLN 17 1HE2 GLN 17 11.453 3.912 -12.275 126 2HE2 GLN 17 2HE2 GLN 17 10.776 5.463 -11.925 127 H GLY 18 H GLY 18 15.146 1.832 -12.955 128 1HA GLY 18 2HA GLY 18 14.832 -0.238 -12.001 129 2HA GLY 18 1HA GLY 18 16.147 0.140 -10.898 130 H TYR 19 H TYR 19 13.117 1.912 -11.311 131 HA TYR 19 HA TYR 19 12.016 0.837 -8.862 132 1HB TYR 19 1HB TYR 19 13.037 3.665 -9.054 133 2HB TYR 19 2HB TYR 19 11.774 3.210 -7.915 134 HD1 TYR 19 1HD TYR 19 15.295 3.338 -8.524 135 HD2 TYR 19 2HD TYR 19 12.305 1.364 -6.229 136 HE1 TYR 19 1HE TYR 19 17.013 2.611 -6.921 137 HE2 TYR 19 2HE TYR 19 14.014 0.633 -4.620 138 HH TYR 19 HH TYR 19 17.299 1.801 -4.769 139 H LYS 20 H LYS 20 9.934 2.155 -8.306 140 HA LYS 20 HA LYS 20 8.632 3.275 -10.652 141 1HB LYS 20 1HB LYS 20 7.802 0.692 -9.349 142 2HB LYS 20 2HB LYS 20 6.644 1.694 -10.214 143 1HG LYS 20 1HG LYS 20 7.254 0.346 -11.920 144 2HG LYS 20 2HG LYS 20 8.530 1.553 -12.088 145 1HD LYS 20 1HD LYS 20 10.133 0.100 -11.497 146 2HD LYS 20 2HD LYS 20 9.166 -0.570 -10.181 147 1HE LYS 20 1HE LYS 20 9.410 -2.363 -11.645 148 2HE LYS 20 2HE LYS 20 7.817 -1.723 -12.042 149 1HZ LYS 20 1HZ LYS 20 9.949 -0.529 -13.558 150 2HZ LYS 20 2HZ LYS 20 8.475 -1.170 -14.086 151 3HZ LYS 20 3HZ LYS 20 9.796 -2.194 -13.820 152 H ASN 21 H ASN 21 6.115 3.539 -9.904 153 HA ASN 21 HA ASN 21 6.055 4.503 -7.141 154 1HB ASN 21 1HB ASN 21 5.238 6.198 -9.512 155 2HB ASN 21 2HB ASN 21 5.105 6.655 -7.816 156 1HD2 ASN 21 1HD2 ASN 21 7.346 5.924 -10.409 157 2HD2 ASN 21 2HD2 ASN 21 8.691 6.779 -9.741 158 H VAL 22 H VAL 22 4.603 2.903 -6.584 159 HA VAL 22 HA VAL 22 2.033 2.871 -8.012 160 HB VAL 22 HB VAL 22 3.163 0.695 -7.821 161 1HG1 VAL 22 1HG1 VAL 22 3.814 1.561 -5.265 162 2HG1 VAL 22 2HG1 VAL 22 2.656 0.255 -5.008 163 3HG1 VAL 22 3HG1 VAL 22 4.120 -0.035 -5.949 164 1HG2 VAL 22 1HG2 VAL 22 0.570 1.148 -7.581 165 2HG2 VAL 22 2HG2 VAL 22 1.239 -0.477 -7.434 166 3HG2 VAL 22 3HG2 VAL 22 0.838 0.446 -5.985 167 H ARG 23 H ARG 23 0.158 3.387 -7.009 168 HA ARG 23 HA ARG 23 0.342 4.219 -4.188 169 1HB ARG 23 1HB ARG 23 -0.017 6.051 -5.879 170 2HB ARG 23 2HB ARG 23 -1.566 5.309 -6.259 171 1HG ARG 23 1HG ARG 23 -2.543 6.268 -4.515 172 2HG ARG 23 2HG ARG 23 -1.273 5.723 -3.418 173 1HD ARG 23 1HD ARG 23 -0.270 7.720 -3.424 174 2HD ARG 23 2HD ARG 23 -0.403 7.872 -5.175 175 HE ARG 23 HE ARG 23 -2.932 8.294 -4.053 176 1HH1 ARG 23 2HH1 ARG 23 0.203 9.802 -4.186 177 2HH1 ARG 23 1HH1 ARG 23 -0.418 11.409 -4.006 178 1HH2 ARG 23 2HH2 ARG 23 -3.761 10.406 -3.815 179 2HH2 ARG 23 1HH2 ARG 23 -2.673 11.752 -3.794 180 H ILE 24 H ILE 24 -1.499 3.877 -2.853 181 HA ILE 24 HA ILE 24 -3.234 1.695 -3.807 182 HB ILE 24 HB ILE 24 -2.668 2.252 -0.909 183 1HG1 ILE 24 1HG1 ILE 24 -0.498 1.900 -1.943 184 2HG1 ILE 24 2HG1 ILE 24 -0.944 0.470 -1.019 185 1HG2 ILE 24 1HG2 ILE 24 -4.425 0.554 -2.211 186 2HG2 ILE 24 2HG2 ILE 24 -3.087 -0.492 -1.739 187 3HG2 ILE 24 3HG2 ILE 24 -3.934 0.460 -0.520 188 1HD1 ILE 24 1HD1 ILE 24 -0.101 -0.431 -2.959 189 2HD1 ILE 24 2HD1 ILE 24 -1.833 -0.400 -3.292 190 3HD1 ILE 24 3HD1 ILE 24 -0.782 0.842 -3.972 191 H THR 25 H THR 25 -5.403 1.883 -3.624 192 HA THR 25 HA THR 25 -6.649 3.810 -1.899 193 HB THR 25 HB THR 25 -6.761 4.265 -4.887 194 HG1 THR 25 1HG THR 25 -5.827 6.277 -4.308 195 1HG2 THR 25 1HG2 THR 25 -8.909 4.812 -4.279 196 2HG2 THR 25 2HG2 THR 25 -8.094 6.343 -3.958 197 3HG2 THR 25 3HG2 THR 25 -8.450 5.237 -2.631 198 H PHE 26 H PHE 26 -7.604 1.802 -1.224 199 HA PHE 26 HA PHE 26 -9.732 0.875 -3.040 200 1HB PHE 26 1HB PHE 26 -8.131 -0.906 -2.736 201 2HB PHE 26 2HB PHE 26 -8.163 -0.695 -0.988 202 HD1 PHE 26 1HD PHE 26 -9.607 -1.957 0.309 203 HD2 PHE 26 2HD PHE 26 -10.336 -1.587 -3.868 204 HE1 PHE 26 1HE PHE 26 -11.407 -3.626 0.479 205 HE2 PHE 26 2HE PHE 26 -12.138 -3.254 -3.705 206 HZ PHE 26 HZ PHE 26 -12.676 -4.275 -1.529 207 H GLU 27 H GLU 27 -9.174 0.185 0.384 208 HA GLU 27 HA GLU 27 -10.912 1.995 1.542 209 1HB GLU 27 1HB GLU 27 -12.320 0.058 0.014 210 2HB GLU 27 2HB GLU 27 -12.617 -0.293 1.711 211 1HG GLU 27 1HG GLU 27 -12.833 2.537 1.120 212 2HG GLU 27 2HG GLU 27 -13.941 1.559 0.160 213 H LEU 28 H LEU 28 -10.855 1.811 3.729 214 HA LEU 28 HA LEU 28 -10.016 -0.742 4.899 215 1HB LEU 28 1HB LEU 28 -8.497 1.755 4.818 216 2HB LEU 28 2HB LEU 28 -8.675 1.085 6.439 217 HG LEU 28 HG LEU 28 -6.591 0.349 5.479 218 1HD1 LEU 28 1HD1 LEU 28 -7.778 -2.221 5.145 219 2HD1 LEU 28 2HD1 LEU 28 -8.618 -1.363 6.436 220 3HD1 LEU 28 3HD1 LEU 28 -6.871 -1.586 6.518 221 1HD2 LEU 28 1HD2 LEU 28 -7.772 -1.310 3.372 222 2HD2 LEU 28 2HD2 LEU 28 -6.301 -0.336 3.363 223 3HD2 LEU 28 3HD2 LEU 28 -7.865 0.427 3.074 224 H ASP 29 H ASP 29 -10.799 2.620 5.808 225 HA ASP 29 HA ASP 29 -12.782 1.554 7.699 226 1HB ASP 29 1HB ASP 29 -10.695 2.224 8.898 227 2HB ASP 29 2HB ASP 29 -10.923 3.863 8.296 228 H GLU 30 H GLU 30 -14.548 2.948 8.158 229 HA GLU 30 HA GLU 30 -15.365 4.516 5.914 230 1HB GLU 30 1HB GLU 30 -17.400 4.956 7.291 231 2HB GLU 30 2HB GLU 30 -17.031 3.250 7.087 232 1HG GLU 30 1HG GLU 30 -16.571 2.941 9.278 233 2HG GLU 30 2HG GLU 30 -15.924 4.567 9.487 234 H ARG 31 H ARG 31 -13.735 5.185 8.854 235 HA ARG 31 HA ARG 31 -14.087 8.076 8.398 236 1HB ARG 31 1HB ARG 31 -14.466 6.508 10.786 237 2HB ARG 31 2HB ARG 31 -13.189 7.691 11.038 238 1HG ARG 31 1HG ARG 31 -15.093 8.823 11.699 239 2HG ARG 31 2HG ARG 31 -14.860 9.380 10.041 240 1HD ARG 31 1HD ARG 31 -16.680 8.248 9.258 241 2HD ARG 31 2HD ARG 31 -16.539 6.970 10.465 242 HE ARG 31 HE ARG 31 -18.072 9.376 10.676 243 1HH1 ARG 31 2HH1 ARG 31 -16.324 6.971 12.487 244 2HH1 ARG 31 1HH1 ARG 31 -17.226 7.225 13.944 245 1HH2 ARG 31 2HH2 ARG 31 -19.267 9.719 12.588 246 2HH2 ARG 31 1HH2 ARG 31 -18.901 8.787 14.000 247 H VAL 32 H VAL 32 -11.913 5.438 8.788 248 HA VAL 32 HA VAL 32 -9.624 7.297 8.742 249 HB VAL 32 HB VAL 32 -9.632 4.432 9.701 250 1HG1 VAL 32 1HG1 VAL 32 -7.430 6.135 10.525 251 2HG1 VAL 32 2HG1 VAL 32 -7.405 4.529 9.793 252 3HG1 VAL 32 3HG1 VAL 32 -7.526 5.964 8.773 253 1HG2 VAL 32 1HG2 VAL 32 -9.371 6.927 11.366 254 2HG2 VAL 32 2HG2 VAL 32 -10.890 6.059 11.145 255 3HG2 VAL 32 3HG2 VAL 32 -9.526 5.263 11.929 256 H ASP 33 H ASP 33 -10.502 7.142 6.350 257 HA ASP 33 HA ASP 33 -9.064 4.953 5.000 258 1HB ASP 33 1HB ASP 33 -11.718 5.823 4.690 259 2HB ASP 33 2HB ASP 33 -10.863 6.393 3.259 260 H LYS 34 H LYS 34 -9.499 8.399 5.251 261 HA LYS 34 HA LYS 34 -7.981 9.082 2.929 262 1HB LYS 34 1HB LYS 34 -8.343 11.287 3.514 263 2HB LYS 34 2HB LYS 34 -9.706 10.498 4.297 264 1HG LYS 34 1HG LYS 34 -7.126 11.249 5.655 265 2HG LYS 34 2HG LYS 34 -8.628 12.172 5.730 266 1HD LYS 34 1HD LYS 34 -8.342 9.308 6.631 267 2HD LYS 34 2HD LYS 34 -8.240 10.704 7.706 268 1HE LYS 34 1HE LYS 34 -10.605 10.813 6.044 269 2HE LYS 34 2HE LYS 34 -10.538 9.314 6.971 270 1HZ LYS 34 1HZ LYS 34 -10.035 10.816 8.943 271 2HZ LYS 34 2HZ LYS 34 -11.622 10.817 8.356 272 3HZ LYS 34 3HZ LYS 34 -10.578 12.093 7.975 273 H VAL 35 H VAL 35 -7.145 7.928 5.992 274 HA VAL 35 HA VAL 35 -4.635 9.264 6.296 275 HB VAL 35 HB VAL 35 -5.577 6.684 7.554 276 1HG1 VAL 35 1HG1 VAL 35 -3.503 6.541 8.343 277 2HG1 VAL 35 2HG1 VAL 35 -3.073 8.109 7.657 278 3HG1 VAL 35 3HG1 VAL 35 -3.814 8.018 9.255 279 1HG2 VAL 35 1HG2 VAL 35 -5.715 8.556 9.507 280 2HG2 VAL 35 2HG2 VAL 35 -6.173 9.512 8.097 281 3HG2 VAL 35 3HG2 VAL 35 -7.083 8.059 8.510 282 H LEU 36 H LEU 36 -5.741 6.513 4.531 283 HA LEU 36 HA LEU 36 -2.963 5.722 3.964 284 1HB LEU 36 1HB LEU 36 -3.768 3.559 3.376 285 2HB LEU 36 2HB LEU 36 -4.454 3.992 4.941 286 HG LEU 36 HG LEU 36 -6.214 4.686 2.735 287 1HD1 LEU 36 1HD1 LEU 36 -6.748 2.543 1.935 288 2HD1 LEU 36 2HD1 LEU 36 -5.751 1.748 3.153 289 3HD1 LEU 36 3HD1 LEU 36 -4.990 2.649 1.842 290 1HD2 LEU 36 1HD2 LEU 36 -6.869 4.629 5.092 291 2HD2 LEU 36 2HD2 LEU 36 -6.531 2.899 5.145 292 3HD2 LEU 36 3HD2 LEU 36 -7.834 3.513 4.125 293 H ASN 37 H ASN 37 -5.113 7.723 2.749 294 HA ASN 37 HA ASN 37 -4.701 6.915 -0.051 295 1HB ASN 37 1HB ASN 37 -6.779 8.745 1.167 296 2HB ASN 37 2HB ASN 37 -6.581 8.479 -0.563 297 1HD2 ASN 37 1HD2 ASN 37 -8.928 7.965 0.909 298 2HD2 ASN 37 2HD2 ASN 37 -9.238 6.267 0.842 299 H GLU 38 H GLU 38 -4.323 9.512 2.273 300 HA GLU 38 HA GLU 38 -2.728 10.983 0.279 301 1HB GLU 38 1HB GLU 38 -4.029 12.359 2.601 302 2HB GLU 38 2HB GLU 38 -3.505 13.034 1.065 303 1HG GLU 38 1HG GLU 38 -5.412 11.287 0.249 304 2HG GLU 38 2HG GLU 38 -6.049 11.792 1.813 305 H LYS 39 H LYS 39 -3.133 10.228 3.714 306 HA LYS 39 HA LYS 39 -0.623 11.342 4.495 307 1HB LYS 39 1HB LYS 39 -2.763 9.742 5.797 308 2HB LYS 39 2HB LYS 39 -1.167 9.690 6.532 309 1HG LYS 39 1HG LYS 39 -1.343 11.762 7.345 310 2HG LYS 39 2HG LYS 39 -2.069 12.386 5.862 311 1HD LYS 39 1HD LYS 39 -3.691 10.602 7.613 312 2HD LYS 39 2HD LYS 39 -3.439 12.277 8.109 313 1HE LYS 39 1HE LYS 39 -4.125 12.706 5.571 314 2HE LYS 39 2HE LYS 39 -4.962 11.173 5.814 315 1HZ LYS 39 1HZ LYS 39 -6.332 13.147 6.321 316 2HZ LYS 39 2HZ LYS 39 -5.272 13.540 7.579 317 3HZ LYS 39 3HZ LYS 39 -6.164 12.103 7.642 318 H CYS 40 H CYS 40 -1.507 8.483 2.923 319 HA CYS 40 HA CYS 40 1.098 7.560 2.594 320 1HB CYS 40 1HB CYS 40 0.038 6.866 5.133 321 2HB CYS 40 2HB CYS 40 0.078 5.395 4.168 322 HG CYS 40 HG CYS 40 2.786 5.458 3.668 323 H SER 41 H SER 41 0.431 7.237 0.504 324 HA SER 41 HA SER 41 -1.217 4.855 0.067 325 1HB SER 41 1HB SER 41 -2.405 5.992 -1.798 326 2HB SER 41 2HB SER 41 -2.754 6.718 -0.230 327 HG SER 41 HG SER 41 -1.492 8.435 -0.733 328 H VAL 42 H VAL 42 0.974 7.265 -1.311 329 HA VAL 42 HA VAL 42 1.706 5.482 -3.488 330 HB VAL 42 HB VAL 42 1.584 7.728 -4.179 331 1HG1 VAL 42 1HG1 VAL 42 3.067 8.325 -1.646 332 2HG1 VAL 42 2HG1 VAL 42 3.065 9.473 -2.987 333 3HG1 VAL 42 3HG1 VAL 42 1.544 8.995 -2.231 334 1HG2 VAL 42 1HG2 VAL 42 3.802 8.228 -4.951 335 2HG2 VAL 42 2HG2 VAL 42 4.518 7.252 -3.669 336 3HG2 VAL 42 3HG2 VAL 42 3.592 6.477 -4.954 337 H TYR 43 H TYR 43 3.480 4.243 -3.559 338 HA TYR 43 HA TYR 43 5.648 4.716 -1.651 339 1HB TYR 43 1HB TYR 43 4.349 2.009 -2.018 340 2HB TYR 43 2HB TYR 43 5.710 2.381 -0.966 341 HD1 TYR 43 1HD TYR 43 5.355 3.115 1.237 342 HD2 TYR 43 2HD TYR 43 2.105 3.091 -1.510 343 HE1 TYR 43 1HE TYR 43 3.801 3.605 3.080 344 HE2 TYR 43 2HE TYR 43 0.543 3.582 0.325 345 HH TYR 43 HH TYR 43 0.748 3.091 3.096 346 H THR 44 H THR 44 7.659 3.872 -2.279 347 HA THR 44 HA THR 44 7.908 3.477 -5.150 348 HB THR 44 HB THR 44 10.298 3.434 -3.371 349 HG1 THR 44 1HG THR 44 8.881 5.829 -3.994 350 1HG2 THR 44 1HG2 THR 44 11.184 4.863 -5.216 351 2HG2 THR 44 2HG2 THR 44 9.632 4.687 -6.036 352 3HG2 THR 44 3HG2 THR 44 10.643 3.271 -5.746 353 H VAL 45 H VAL 45 9.078 1.740 -6.088 354 HA VAL 45 HA VAL 45 9.676 -0.568 -4.414 355 HB VAL 45 HB VAL 45 7.409 -1.074 -4.895 356 1HG1 VAL 45 1HG1 VAL 45 7.932 0.367 -7.323 357 2HG1 VAL 45 2HG1 VAL 45 7.186 -1.190 -7.687 358 3HG1 VAL 45 3HG1 VAL 45 6.388 -0.063 -6.589 359 1HG2 VAL 45 1HG2 VAL 45 7.739 -3.178 -5.619 360 2HG2 VAL 45 2HG2 VAL 45 8.493 -2.652 -7.124 361 3HG2 VAL 45 3HG2 VAL 45 9.440 -2.714 -5.638 362 H GLU 46 H GLU 46 11.386 -1.688 -5.147 363 HA GLU 46 HA GLU 46 12.871 -0.698 -7.360 364 1HB GLU 46 1HB GLU 46 14.361 -2.673 -6.888 365 2HB GLU 46 2HB GLU 46 14.095 -1.595 -5.525 366 1HG GLU 46 1HG GLU 46 12.668 -3.113 -4.455 367 2HG GLU 46 2HG GLU 46 12.459 -4.075 -5.917 368 H SER 47 H SER 47 13.895 -2.683 -8.774 369 HA SER 47 HA SER 47 11.645 -3.554 -10.393 370 1HB SER 47 1HB SER 47 14.010 -2.553 -11.137 371 2HB SER 47 2HB SER 47 14.441 -4.263 -11.134 372 HG SER 47 HG SER 47 13.405 -3.138 -13.107 373 H GLY 48 H GLY 48 13.159 -4.783 -7.779 374 1HA GLY 48 2HA GLY 48 12.641 -7.555 -8.657 375 2HA GLY 48 1HA GLY 48 14.059 -7.151 -7.700 376 H THR 49 H THR 49 10.512 -6.930 -7.641 377 HA THR 49 HA THR 49 10.606 -7.644 -4.793 378 HB THR 49 HB THR 49 8.496 -5.726 -5.658 379 HG1 THR 49 1HG THR 49 10.353 -4.699 -6.422 380 1HG2 THR 49 1HG2 THR 49 8.241 -6.409 -3.446 381 2HG2 THR 49 2HG2 THR 49 9.104 -4.879 -3.286 382 3HG2 THR 49 3HG2 THR 49 9.978 -6.404 -3.142 383 H GLU 50 H GLU 50 8.668 -8.638 -3.987 384 HA GLU 50 HA GLU 50 7.074 -9.895 -6.122 385 1HB GLU 50 1HB GLU 50 8.338 -10.950 -3.680 386 2HB GLU 50 2HB GLU 50 6.692 -11.502 -3.952 387 1HG GLU 50 1HG GLU 50 8.170 -11.663 -6.394 388 2HG GLU 50 2HG GLU 50 9.056 -12.475 -5.105 389 H VAL 51 H VAL 51 4.841 -10.382 -5.635 390 HA VAL 51 HA VAL 51 3.442 -8.198 -4.559 391 HB VAL 51 HB VAL 51 2.302 -10.966 -4.923 392 1HG1 VAL 51 1HG1 VAL 51 1.144 -8.195 -4.861 393 2HG1 VAL 51 2HG1 VAL 51 0.279 -9.558 -5.574 394 3HG1 VAL 51 3HG1 VAL 51 0.721 -9.588 -3.866 395 1HG2 VAL 51 1HG2 VAL 51 1.690 -9.624 -7.216 396 2HG2 VAL 51 2HG2 VAL 51 3.335 -9.072 -6.905 397 3HG2 VAL 51 3HG2 VAL 51 2.997 -10.796 -7.051 398 H THR 52 H THR 52 4.868 -10.894 -3.042 399 HA THR 52 HA THR 52 3.140 -10.792 -0.704 400 HB THR 52 HB THR 52 3.861 -12.992 -1.343 401 HG1 THR 52 1HG THR 52 5.195 -13.468 0.646 402 1HG2 THR 52 1HG2 THR 52 6.363 -13.526 -1.142 403 2HG2 THR 52 2HG2 THR 52 6.613 -11.785 -1.282 404 3HG2 THR 52 3HG2 THR 52 5.825 -12.671 -2.587 405 H GLU 53 H GLU 53 6.160 -9.525 -1.795 406 HA GLU 53 HA GLU 53 7.381 -9.049 0.707 407 1HB GLU 53 1HB GLU 53 8.124 -8.741 -1.918 408 2HB GLU 53 2HB GLU 53 7.952 -7.074 -1.385 409 1HG GLU 53 1HG GLU 53 9.893 -7.158 -0.334 410 2HG GLU 53 2HG GLU 53 9.378 -8.565 0.594 411 H PHE 54 H PHE 54 4.987 -7.311 -1.150 412 HA PHE 54 HA PHE 54 5.159 -4.890 0.371 413 1HB PHE 54 1HB PHE 54 2.766 -5.733 -1.247 414 2HB PHE 54 2HB PHE 54 3.365 -4.107 -0.939 415 HD1 PHE 54 1HD PHE 54 5.986 -3.905 -1.739 416 HD2 PHE 54 2HD PHE 54 2.992 -6.429 -3.409 417 HE1 PHE 54 1HE PHE 54 7.221 -3.958 -3.866 418 HE2 PHE 54 2HE PHE 54 4.224 -6.486 -5.538 419 HZ PHE 54 HZ PHE 54 6.341 -5.251 -5.769 420 H ALA 55 H ALA 55 3.695 -7.932 0.850 421 HA ALA 55 HA ALA 55 1.512 -7.098 2.487 422 1HB ALA 55 1HB ALA 55 2.477 -9.536 1.412 423 2HB ALA 55 2HB ALA 55 2.311 -9.741 3.156 424 3HB ALA 55 3HB ALA 55 0.928 -9.217 2.194 425 H CYS 56 H CYS 56 4.797 -7.013 2.986 426 HA CYS 56 HA CYS 56 4.507 -7.304 5.901 427 1HB CYS 56 1HB CYS 56 6.441 -8.341 4.122 428 2HB CYS 56 2HB CYS 56 7.250 -7.097 5.067 429 HG CYS 56 HG CYS 56 7.677 -8.601 7.091 430 H VAL 57 H VAL 57 5.004 -5.088 3.376 431 HA VAL 57 HA VAL 57 6.192 -3.085 5.158 432 HB VAL 57 HB VAL 57 7.136 -3.470 2.846 433 1HG1 VAL 57 1HG1 VAL 57 4.541 -3.379 2.032 434 2HG1 VAL 57 2HG1 VAL 57 5.095 -1.753 1.628 435 3HG1 VAL 57 3HG1 VAL 57 5.935 -3.160 0.975 436 1HG2 VAL 57 1HG2 VAL 57 6.135 -0.704 3.517 437 2HG2 VAL 57 2HG2 VAL 57 7.619 -1.450 4.112 438 3HG2 VAL 57 3HG2 VAL 57 7.446 -1.074 2.397 439 H VAL 58 H VAL 58 3.222 -3.981 3.673 440 HA VAL 58 HA VAL 58 2.016 -1.358 3.954 441 HB VAL 58 HB VAL 58 0.798 -4.008 3.163 442 1HG1 VAL 58 1HG1 VAL 58 -0.875 -2.555 4.158 443 2HG1 VAL 58 2HG1 VAL 58 -0.381 -1.231 3.101 444 3HG1 VAL 58 3HG1 VAL 58 -1.126 -2.676 2.417 445 1HG2 VAL 58 1HG2 VAL 58 2.494 -2.350 1.733 446 2HG2 VAL 58 2HG2 VAL 58 1.432 -3.590 1.066 447 3HG2 VAL 58 3HG2 VAL 58 0.884 -1.916 1.157 448 H ALA 59 H ALA 59 2.322 -4.276 5.773 449 HA ALA 59 HA ALA 59 0.109 -3.626 7.546 450 1HB ALA 59 1HB ALA 59 1.874 -5.781 8.401 451 2HB ALA 59 2HB ALA 59 0.133 -5.784 8.120 452 3HB ALA 59 3HB ALA 59 1.244 -6.003 6.768 453 H GLU 60 H GLU 60 3.411 -2.927 7.275 454 HA GLU 60 HA GLU 60 3.630 -2.338 10.149 455 1HB GLU 60 1HB GLU 60 5.985 -2.452 9.940 456 2HB GLU 60 2HB GLU 60 5.359 -3.826 9.040 457 1HG GLU 60 1HG GLU 60 6.662 -3.153 7.377 458 2HG GLU 60 2HG GLU 60 5.501 -1.848 7.136 459 H ALA 61 H ALA 61 2.767 -0.861 7.381 460 HA ALA 61 HA ALA 61 3.902 1.728 8.220 461 1HB ALA 61 1HB ALA 61 3.312 0.672 5.472 462 2HB ALA 61 2HB ALA 61 3.492 2.397 5.793 463 3HB ALA 61 3HB ALA 61 4.833 1.296 6.111 464 H VAL 62 H VAL 62 1.110 0.251 6.571 465 HA VAL 62 HA VAL 62 -0.609 2.420 6.617 466 HB VAL 62 HB VAL 62 -1.247 -0.520 6.858 467 1HG1 VAL 62 1HG1 VAL 62 -2.972 1.781 7.137 468 2HG1 VAL 62 2HG1 VAL 62 -3.446 0.783 5.761 469 3HG1 VAL 62 3HG1 VAL 62 -3.330 0.070 7.370 470 1HG2 VAL 62 1HG2 VAL 62 -1.818 -0.303 4.476 471 2HG2 VAL 62 2HG2 VAL 62 -1.305 1.384 4.517 472 3HG2 VAL 62 3HG2 VAL 62 -0.129 0.098 4.791 473 H VAL 63 H VAL 63 -0.119 -0.069 9.100 474 HA VAL 63 HA VAL 63 -2.089 0.786 10.893 475 HB VAL 63 HB VAL 63 0.531 -0.620 11.407 476 1HG1 VAL 63 1HG1 VAL 63 -1.269 -1.172 13.483 477 2HG1 VAL 63 2HG1 VAL 63 0.236 -0.256 13.579 478 3HG1 VAL 63 3HG1 VAL 63 -1.289 0.579 13.278 479 1HG2 VAL 63 1HG2 VAL 63 -1.960 -2.066 11.834 480 2HG2 VAL 63 2HG2 VAL 63 -1.765 -1.508 10.172 481 3HG2 VAL 63 3HG2 VAL 63 -0.529 -2.525 10.912 482 H LYS 64 H LYS 64 1.306 1.736 10.567 483 HA LYS 64 HA LYS 64 1.483 3.356 12.843 484 1HB LYS 64 1HB LYS 64 2.930 4.001 10.290 485 2HB LYS 64 2HB LYS 64 3.489 4.181 11.947 486 1HG LYS 64 1HG LYS 64 3.215 1.657 10.345 487 2HG LYS 64 2HG LYS 64 4.676 2.362 11.040 488 1HD LYS 64 1HD LYS 64 3.022 2.032 13.225 489 2HD LYS 64 2HD LYS 64 2.695 0.600 12.245 490 1HE LYS 64 1HE LYS 64 5.076 0.093 12.169 491 2HE LYS 64 2HE LYS 64 5.430 1.550 13.096 492 1HZ LYS 64 1HZ LYS 64 4.896 0.548 15.000 493 2HZ LYS 64 2HZ LYS 64 5.028 -0.905 14.146 494 3HZ LYS 64 3HZ LYS 64 3.513 -0.184 14.358 495 H THR 65 H THR 65 0.705 4.234 9.482 496 HA THR 65 HA THR 65 0.252 6.974 10.018 497 HB THR 65 HB THR 65 -1.273 5.814 7.780 498 HG1 THR 65 1HG THR 65 1.575 5.659 7.810 499 1HG2 THR 65 1HG2 THR 65 0.934 7.735 7.370 500 2HG2 THR 65 2HG2 THR 65 -0.386 8.279 8.405 501 3HG2 THR 65 3HG2 THR 65 -0.718 7.757 6.754 502 H LEU 66 H LEU 66 -1.931 4.190 9.770 503 HA LEU 66 HA LEU 66 -4.252 5.801 10.369 504 1HB LEU 66 1HB LEU 66 -3.742 2.928 9.767 505 2HB LEU 66 2HB LEU 66 -5.247 3.375 10.568 506 HG LEU 66 HG LEU 66 -5.599 4.989 8.616 507 1HD1 LEU 66 1HD1 LEU 66 -4.109 3.336 6.787 508 2HD1 LEU 66 2HD1 LEU 66 -3.038 4.118 7.949 509 3HD1 LEU 66 3HD1 LEU 66 -4.126 5.092 6.960 510 1HD2 LEU 66 1HD2 LEU 66 -5.670 2.296 7.459 511 2HD2 LEU 66 2HD2 LEU 66 -6.975 3.450 7.738 512 3HD2 LEU 66 3HD2 LEU 66 -6.402 2.429 9.058 513 H GLN 67 H GLN 67 -2.671 6.314 12.400 514 HA GLN 67 HA GLN 67 -3.771 4.715 14.614 515 1HB GLN 67 1HB GLN 67 -0.973 5.564 14.079 516 2HB GLN 67 2HB GLN 67 -1.523 5.622 15.748 517 1HG GLN 67 1HG GLN 67 -2.280 3.135 14.521 518 2HG GLN 67 2HG GLN 67 -0.548 3.415 14.352 519 1HE2 GLN 67 1HE2 GLN 67 0.660 2.742 15.965 520 2HE2 GLN 67 2HE2 GLN 67 0.144 2.497 17.595 521 HA PRO 68 HA PRO 68 -4.323 9.467 14.928 522 1HB PRO 68 1HB PRO 68 -6.878 9.682 14.035 523 2HB PRO 68 2HB PRO 68 -5.473 9.839 12.974 524 1HG PRO 68 1HG PRO 68 -7.254 7.475 13.419 525 2HG PRO 68 2HG PRO 68 -6.601 8.113 11.899 526 1HD PRO 68 1HD PRO 68 -5.528 5.971 13.161 527 2HD PRO 68 2HD PRO 68 -4.550 7.111 12.214 528 H VAL 69 H VAL 69 -6.930 7.051 15.269 529 HA VAL 69 HA VAL 69 -7.025 7.449 18.119 530 HB VAL 69 HB VAL 69 -9.625 7.871 17.854 531 1HG1 VAL 69 1HG1 VAL 69 -7.706 9.269 18.927 532 2HG1 VAL 69 2HG1 VAL 69 -7.893 10.278 17.492 533 3HG1 VAL 69 3HG1 VAL 69 -9.258 10.030 18.581 534 1HG2 VAL 69 1HG2 VAL 69 -8.528 9.363 15.477 535 2HG2 VAL 69 2HG2 VAL 69 -9.449 7.864 15.357 536 3HG2 VAL 69 3HG2 VAL 69 -10.200 9.309 16.034 537 H SER 70 H SER 70 -6.386 5.155 17.459 538 HA SER 70 HA SER 70 -8.254 3.357 16.390 539 1HB SER 70 1HB SER 70 -6.527 2.133 18.385 540 2HB SER 70 2HB SER 70 -6.577 1.881 16.641 541 HG SER 70 HG SER 70 -4.932 3.497 18.148 542 H ASP 71 H ASP 71 -8.134 4.904 19.424 543 HA ASP 71 HA ASP 71 -9.347 3.031 21.103 544 1HB ASP 71 1HB ASP 71 -8.661 5.789 21.215 545 2HB ASP 71 2HB ASP 71 -10.336 5.635 21.738 546 H LEU 72 H LEU 72 -10.634 4.853 18.484 547 HA LEU 72 HA LEU 72 -13.392 4.325 19.311 548 1HB LEU 72 1HB LEU 72 -14.079 5.907 17.748 549 2HB LEU 72 2HB LEU 72 -12.592 6.575 18.418 550 HG LEU 72 HG LEU 72 -11.529 5.402 16.300 551 1HD1 LEU 72 1HD1 LEU 72 -13.546 6.138 14.560 552 2HD1 LEU 72 2HD1 LEU 72 -14.384 5.243 15.827 553 3HD1 LEU 72 3HD1 LEU 72 -13.048 4.493 14.954 554 1HD2 LEU 72 1HD2 LEU 72 -11.581 7.507 15.188 555 2HD2 LEU 72 2HD2 LEU 72 -11.548 7.828 16.922 556 3HD2 LEU 72 3HD2 LEU 72 -13.060 7.981 16.025 557 H LEU 73 H LEU 73 -11.073 3.561 16.769 558 HA LEU 73 HA LEU 73 -12.713 2.232 14.977 559 1HB LEU 73 1HB LEU 73 -9.840 1.900 15.747 560 2HB LEU 73 2HB LEU 73 -10.581 0.813 14.573 561 HG LEU 73 HG LEU 73 -11.149 2.824 13.195 562 1HD1 LEU 73 1HD1 LEU 73 -9.788 4.145 15.471 563 2HD1 LEU 73 2HD1 LEU 73 -11.116 4.710 14.458 564 3HD1 LEU 73 3HD1 LEU 73 -9.460 4.768 13.854 565 1HD2 LEU 73 1HD2 LEU 73 -8.444 1.786 13.750 566 2HD2 LEU 73 2HD2 LEU 73 -8.525 3.284 12.821 567 3HD2 LEU 73 3HD2 LEU 73 -9.356 1.839 12.241 568 H THR 74 H THR 74 -11.265 1.073 17.972 569 HA THR 74 HA THR 74 -11.963 -1.652 17.649 570 HB THR 74 HB THR 74 -11.900 -0.776 20.427 571 HG1 THR 74 1HG THR 74 -10.454 0.750 20.104 572 1HG2 THR 74 1HG2 THR 74 -11.396 -3.005 20.144 573 2HG2 THR 74 2HG2 THR 74 -9.775 -2.313 20.217 574 3HG2 THR 74 3HG2 THR 74 -10.491 -2.721 18.658 575 H ASN 75 H ASN 75 -13.750 1.141 18.603 576 HA ASN 75 HA ASN 75 -15.825 -0.277 19.992 577 1HB ASN 75 1HB ASN 75 -15.878 2.525 18.852 578 2HB ASN 75 2HB ASN 75 -16.981 1.861 20.054 579 1HD2 ASN 75 1HD2 ASN 75 -15.526 4.185 20.458 580 2HD2 ASN 75 2HD2 ASN 75 -14.375 3.912 21.717 581 H MET 76 H MET 76 -15.204 0.724 16.712 582 HA MET 76 HA MET 76 -17.913 0.098 15.857 583 1HB MET 76 1HB MET 76 -17.218 0.867 13.672 584 2HB MET 76 2HB MET 76 -16.703 2.030 14.886 585 1HG MET 76 1HG MET 76 -14.456 1.372 14.720 586 2HG MET 76 2HG MET 76 -14.870 -0.101 13.846 587 1HE MET 76 1HE MET 76 -13.305 3.445 13.107 588 2HE MET 76 2HE MET 76 -14.687 4.173 12.288 589 3HE MET 76 3HE MET 76 -14.840 3.623 13.957 590 H GLY 77 H GLY 77 -14.751 -1.343 15.926 591 1HA GLY 77 2HA GLY 77 -15.206 -3.915 15.800 592 2HA GLY 77 1HA GLY 77 -15.608 -3.505 14.139 593 H ILE 78 H ILE 78 -13.643 -1.585 13.633 594 HA ILE 78 HA ILE 78 -11.503 -3.145 12.798 595 HB ILE 78 HB ILE 78 -11.664 -0.172 13.274 596 1HG1 ILE 78 1HG1 ILE 78 -11.641 -1.774 10.709 597 2HG1 ILE 78 2HG1 ILE 78 -13.102 -1.190 11.498 598 1HG2 ILE 78 1HG2 ILE 78 -9.622 -0.541 11.486 599 2HG2 ILE 78 2HG2 ILE 78 -9.430 -0.174 13.200 600 3HG2 ILE 78 3HG2 ILE 78 -9.359 -1.846 12.643 601 1HD1 ILE 78 1HD1 ILE 78 -12.305 1.114 11.215 602 2HD1 ILE 78 2HD1 ILE 78 -10.886 0.499 10.366 603 3HD1 ILE 78 3HD1 ILE 78 -12.494 0.267 9.680 604 H ASP 79 H ASP 79 -9.711 -3.894 13.736 605 HA ASP 79 HA ASP 79 -9.079 -2.943 16.453 606 1HB ASP 79 1HB ASP 79 -9.596 -5.549 15.530 607 2HB ASP 79 2HB ASP 79 -7.860 -5.481 15.817 608 H LEU 80 H LEU 80 -7.271 -1.811 16.625 609 HA LEU 80 HA LEU 80 -5.420 -1.563 14.476 610 1HB LEU 80 1HB LEU 80 -6.065 -0.115 16.761 611 2HB LEU 80 2HB LEU 80 -4.407 -0.650 17.029 612 HG LEU 80 HG LEU 80 -4.575 1.608 16.027 613 1HD1 LEU 80 1HD1 LEU 80 -2.900 1.249 14.302 614 2HD1 LEU 80 2HD1 LEU 80 -3.302 -0.467 14.249 615 3HD1 LEU 80 3HD1 LEU 80 -2.583 0.226 15.703 616 1HD2 LEU 80 1HD2 LEU 80 -5.106 0.857 13.334 617 2HD2 LEU 80 2HD2 LEU 80 -5.961 2.020 14.347 618 3HD2 LEU 80 3HD2 LEU 80 -6.452 0.325 14.342 619 H ASP 81 H ASP 81 -5.765 -3.837 16.932 620 HA ASP 81 HA ASP 81 -2.915 -4.517 16.964 621 1HB ASP 81 1HB ASP 81 -5.156 -4.893 18.806 622 2HB ASP 81 2HB ASP 81 -4.192 -6.350 18.588 623 H GLU 82 H GLU 82 -5.922 -5.499 15.616 624 HA GLU 82 HA GLU 82 -4.989 -8.175 14.968 625 1HB GLU 82 1HB GLU 82 -7.159 -8.666 14.344 626 2HB GLU 82 2HB GLU 82 -7.422 -7.436 15.573 627 1HG GLU 82 1HG GLU 82 -7.671 -5.746 13.822 628 2HG GLU 82 2HG GLU 82 -7.429 -6.990 12.596 629 H TRP 83 H TRP 83 -5.240 -5.045 13.507 630 HA TRP 83 HA TRP 83 -5.242 -5.694 10.801 631 1HB TRP 83 1HB TRP 83 -4.291 -3.358 12.395 632 2HB TRP 83 2HB TRP 83 -3.802 -3.464 10.707 633 HD1 TRP 83 HD TRP 83 -7.277 -4.530 11.977 634 HE1 TRP 83 1HE TRP 83 -9.040 -3.016 10.871 635 HE3 TRP 83 3HE TRP 83 -4.156 -1.254 9.596 636 HZ2 TRP 83 2HZ TRP 83 -9.100 -0.735 9.208 637 HZ3 TRP 83 3HZ TRP 83 -5.146 0.565 8.268 638 HH2 TRP 83 HH TRP 83 -7.568 0.817 8.079 639 H SER 84 H SER 84 -2.592 -5.580 13.114 640 HA SER 84 HA SER 84 -0.542 -5.961 11.151 641 1HB SER 84 1HB SER 84 0.937 -5.741 12.884 642 2HB SER 84 2HB SER 84 -0.476 -5.037 13.669 643 HG SER 84 HG SER 84 -0.723 -6.809 14.864 644 H VAL 85 H VAL 85 -2.578 -8.031 13.062 645 HA VAL 85 HA VAL 85 -1.118 -10.388 12.062 646 HB VAL 85 HB VAL 85 -2.113 -11.666 13.884 647 1HG1 VAL 85 1HG1 VAL 85 -0.619 -10.992 15.469 648 2HG1 VAL 85 2HG1 VAL 85 -0.016 -10.057 14.099 649 3HG1 VAL 85 3HG1 VAL 85 -1.046 -9.289 15.307 650 1HG2 VAL 85 1HG2 VAL 85 -3.910 -10.987 15.000 651 2HG2 VAL 85 2HG2 VAL 85 -3.093 -9.510 15.510 652 3HG2 VAL 85 3HG2 VAL 85 -3.956 -9.554 13.972 653 H ALA 86 H ALA 86 -2.928 -9.002 10.405 654 HA ALA 86 HA ALA 86 -5.191 -10.888 10.277 655 1HB ALA 86 1HB ALA 86 -6.408 -9.010 10.374 656 2HB ALA 86 2HB ALA 86 -5.041 -7.984 9.939 657 3HB ALA 86 3HB ALA 86 -5.954 -8.817 8.681 658 H THR 87 H THR 87 -6.090 -10.788 7.849 659 HA THR 87 HA THR 87 -3.804 -11.557 6.169 660 HB THR 87 HB THR 87 -6.670 -12.257 5.582 661 HG1 THR 87 1HG THR 87 -4.832 -13.705 7.214 662 1HG2 THR 87 1HG2 THR 87 -5.728 -14.035 4.293 663 2HG2 THR 87 2HG2 THR 87 -4.118 -13.731 4.944 664 3HG2 THR 87 3HG2 THR 87 -4.866 -12.560 3.859 665 H PHE 88 H PHE 88 -3.219 -9.657 5.199 666 HA PHE 88 HA PHE 88 -5.243 -7.996 3.933 667 1HB PHE 88 1HB PHE 88 -2.334 -7.712 4.539 668 2HB PHE 88 2HB PHE 88 -3.009 -6.754 3.226 669 HD1 PHE 88 1HD PHE 88 -4.491 -7.735 6.494 670 HD2 PHE 88 2HD PHE 88 -3.097 -4.579 4.000 671 HE1 PHE 88 1HE PHE 88 -5.312 -6.087 8.126 672 HE2 PHE 88 2HE PHE 88 -3.916 -2.926 5.628 673 HZ PHE 88 HZ PHE 88 -5.024 -3.679 7.695 674 H TYR 89 H TYR 89 -5.442 -7.656 1.740 675 HA TYR 89 HA TYR 89 -3.840 -9.391 -0.017 676 1HB TYR 89 1HB TYR 89 -6.833 -8.992 -0.046 677 2HB TYR 89 2HB TYR 89 -5.942 -9.703 -1.387 678 HD1 TYR 89 1HD TYR 89 -4.929 -11.917 -1.174 679 HD2 TYR 89 2HD TYR 89 -7.183 -10.216 2.009 680 HE1 TYR 89 1HE TYR 89 -5.078 -14.127 -0.107 681 HE2 TYR 89 2HE TYR 89 -7.337 -12.422 3.086 682 HH TYR 89 HH TYR 89 -6.180 -15.329 1.493 683 H LEU 90 H LEU 90 -4.156 -8.731 -2.382 684 HA LEU 90 HA LEU 90 -4.534 -5.838 -2.666 685 1HB LEU 90 1HB LEU 90 -2.200 -7.257 -3.917 686 2HB LEU 90 2HB LEU 90 -2.494 -5.522 -3.814 687 HG LEU 90 HG LEU 90 -2.355 -6.419 -1.164 688 1HD1 LEU 90 1HD1 LEU 90 -0.412 -7.816 -2.956 689 2HD1 LEU 90 2HD1 LEU 90 -1.314 -8.443 -1.577 690 3HD1 LEU 90 3HD1 LEU 90 0.052 -7.357 -1.317 691 1HD2 LEU 90 1HD2 LEU 90 -0.187 -5.103 -2.793 692 2HD2 LEU 90 2HD2 LEU 90 -0.436 -4.992 -1.050 693 3HD2 LEU 90 3HD2 LEU 90 -1.600 -4.261 -2.157 694 H PHE 91 H PHE 91 -4.529 -5.198 -5.031 695 HA PHE 91 HA PHE 91 -5.102 -7.206 -6.983 696 1HB PHE 91 1HB PHE 91 -7.310 -5.967 -5.482 697 2HB PHE 91 2HB PHE 91 -7.491 -5.902 -7.232 698 HD1 PHE 91 1HD PHE 91 -6.961 -8.195 -8.453 699 HD2 PHE 91 2HD PHE 91 -8.134 -7.799 -4.381 700 HE1 PHE 91 1HE PHE 91 -7.753 -10.524 -8.459 701 HE2 PHE 91 2HE PHE 91 -8.927 -10.128 -4.379 702 HZ PHE 91 HZ PHE 91 -8.737 -11.494 -6.420 703 H ASP 92 H ASP 92 -6.287 -5.959 -8.949 704 HA ASP 92 HA ASP 92 -5.196 -3.259 -9.203 705 1HB ASP 92 1HB ASP 92 -4.378 -5.638 -10.826 706 2HB ASP 92 2HB ASP 92 -4.433 -4.052 -11.591 707 H ASP 93 H ASP 93 -5.771 -2.533 -11.636 708 HA ASP 93 HA ASP 93 -8.609 -2.435 -11.706 709 1HB ASP 93 1HB ASP 93 -6.763 -1.637 -13.956 710 2HB ASP 93 2HB ASP 93 -8.364 -1.000 -13.592 711 H ALA 94 H ALA 94 -6.423 -4.737 -12.799 712 HA ALA 94 HA ALA 94 -8.198 -5.680 -14.935 713 1HB ALA 94 1HB ALA 94 -6.416 -6.869 -15.818 714 2HB ALA 94 2HB ALA 94 -5.637 -5.418 -15.186 715 3HB ALA 94 3HB ALA 94 -5.559 -6.927 -14.277 716 H GLY 95 H GLY 95 -8.096 -5.998 -11.739 717 1HA GLY 95 2HA GLY 95 -9.102 -7.518 -10.328 718 2HA GLY 95 1HA GLY 95 -9.543 -8.463 -11.743 719 H GLU 96 H GLU 96 -6.244 -7.560 -10.979 720 HA GLU 96 HA GLU 96 -5.699 -10.340 -10.181 721 1HB GLU 96 1HB GLU 96 -3.617 -10.284 -11.479 722 2HB GLU 96 2HB GLU 96 -5.024 -10.067 -12.510 723 1HG GLU 96 1HG GLU 96 -4.611 -7.622 -12.468 724 2HG GLU 96 2HG GLU 96 -3.129 -7.930 -11.565 725 H GLU 97 H GLU 97 -3.803 -10.636 -8.874 726 HA GLU 97 HA GLU 97 -3.334 -8.355 -7.128 727 1HB GLU 97 1HB GLU 97 -3.828 -10.845 -6.442 728 2HB GLU 97 2HB GLU 97 -2.099 -11.043 -6.689 729 1HG GLU 97 1HG GLU 97 -1.558 -9.854 -4.853 730 2HG GLU 97 2HG GLU 97 -2.918 -8.747 -5.033 731 H ASN 98 H ASN 98 -2.124 -7.318 -8.969 732 HA ASN 98 HA ASN 98 0.673 -8.245 -9.022 733 1HB ASN 98 1HB ASN 98 -0.955 -6.755 -11.080 734 2HB ASN 98 2HB ASN 98 0.803 -6.841 -11.150 735 1HD2 ASN 98 1HD2 ASN 98 -1.889 -9.082 -10.554 736 2HD2 ASN 98 2HD2 ASN 98 -1.325 -10.309 -11.632 737 H PHE 99 H PHE 99 2.048 -6.140 -9.823 738 HA PHE 99 HA PHE 99 1.421 -4.020 -7.874 739 1HB PHE 99 1HB PHE 99 3.964 -3.695 -7.816 740 2HB PHE 99 2HB PHE 99 3.317 -5.114 -6.998 741 HD1 PHE 99 1HD PHE 99 3.576 -7.344 -7.997 742 HD2 PHE 99 2HD PHE 99 5.378 -3.894 -9.718 743 HE1 PHE 99 1HE PHE 99 5.064 -8.787 -9.322 744 HE2 PHE 99 2HE PHE 99 6.869 -5.331 -11.047 745 HZ PHE 99 HZ PHE 99 6.712 -7.781 -10.851 746 H SER 100 H SER 100 0.281 -3.469 -10.101 747 HA SER 100 HA SER 100 2.005 -2.248 -12.057 748 1HB SER 100 1HB SER 100 -0.253 -3.334 -12.534 749 2HB SER 100 2HB SER 100 -0.985 -1.891 -11.831 750 HG SER 100 HG SER 100 -0.842 -1.365 -13.916 751 H SER 101 H SER 101 0.753 0.070 -12.746 752 HA SER 101 HA SER 101 1.939 1.981 -11.147 753 1HB SER 101 1HB SER 101 -0.538 2.390 -12.840 754 2HB SER 101 2HB SER 101 0.610 3.632 -12.341 755 HG SER 101 HG SER 101 0.716 2.038 -14.473 756 H ARG 102 H ARG 102 -1.158 0.435 -10.792 757 HA ARG 102 HA ARG 102 -1.466 1.672 -8.178 758 1HB ARG 102 1HB ARG 102 -2.697 3.172 -9.687 759 2HB ARG 102 2HB ARG 102 -3.635 1.808 -10.280 760 1HG ARG 102 1HG ARG 102 -4.094 1.606 -7.627 761 2HG ARG 102 2HG ARG 102 -3.901 3.351 -7.798 762 1HD ARG 102 1HD ARG 102 -5.651 1.841 -9.694 763 2HD ARG 102 2HD ARG 102 -6.251 2.269 -8.093 764 HE ARG 102 HE ARG 102 -5.906 4.020 -10.317 765 1HH1 ARG 102 2HH1 ARG 102 -5.816 3.855 -6.840 766 2HH1 ARG 102 1HH1 ARG 102 -6.188 5.533 -6.621 767 1HH2 ARG 102 2HH2 ARG 102 -6.395 6.231 -10.041 768 2HH2 ARG 102 1HH2 ARG 102 -6.518 6.883 -8.442 769 H MET 103 H MET 103 -2.274 0.287 -6.710 770 HA MET 103 HA MET 103 -3.702 -2.097 -7.655 771 1HB MET 103 1HB MET 103 -2.359 -3.339 -5.808 772 2HB MET 103 2HB MET 103 -1.608 -3.058 -7.373 773 1HG MET 103 1HG MET 103 -0.035 -1.719 -6.519 774 2HG MET 103 2HG MET 103 -1.165 -0.921 -5.427 775 1HE MET 103 1HE MET 103 1.696 -2.536 -5.889 776 2HE MET 103 2HE MET 103 2.202 -2.527 -4.200 777 3HE MET 103 3HE MET 103 1.803 -4.052 -4.993 778 H TYR 104 H TYR 104 -5.443 -2.595 -6.469 779 HA TYR 104 HA TYR 104 -6.161 -0.883 -4.268 780 1HB TYR 104 1HB TYR 104 -7.610 -3.252 -5.470 781 2HB TYR 104 2HB TYR 104 -8.287 -2.137 -4.288 782 HD1 TYR 104 1HD TYR 104 -7.807 -2.808 -7.752 783 HD2 TYR 104 2HD TYR 104 -8.421 0.344 -4.962 784 HE1 TYR 104 1HE TYR 104 -8.570 -1.349 -9.579 785 HE2 TYR 104 2HE TYR 104 -9.186 1.813 -6.780 786 HH TYR 104 HH TYR 104 -8.669 1.786 -9.507 787 H CYS 105 H CYS 105 -6.094 -1.325 -2.146 788 HA CYS 105 HA CYS 105 -4.989 -3.921 -1.344 789 1HB CYS 105 1HB CYS 105 -3.676 -2.040 -0.599 790 2HB CYS 105 2HB CYS 105 -5.097 -1.261 0.086 791 HG CYS 105 HG CYS 105 -4.022 -4.278 1.256 792 H SER 106 H SER 106 -6.613 -5.318 -0.994 793 HA SER 106 HA SER 106 -8.926 -4.409 0.577 794 1HB SER 106 1HB SER 106 -9.559 -6.937 -0.320 795 2HB SER 106 2HB SER 106 -10.038 -5.430 -1.099 796 HG SER 106 HG SER 106 -8.949 -6.986 -2.483 797 H PHE 107 H PHE 107 -9.888 -6.196 1.987 798 HA PHE 107 HA PHE 107 -7.696 -7.421 3.518 799 1HB PHE 107 1HB PHE 107 -9.145 -7.323 5.459 800 2HB PHE 107 2HB PHE 107 -9.071 -5.731 4.711 801 HD1 PHE 107 1HD PHE 107 -11.006 -4.715 3.765 802 HD2 PHE 107 2HD PHE 107 -11.166 -8.703 5.246 803 HE1 PHE 107 1HE PHE 107 -13.463 -4.659 3.641 804 HE2 PHE 107 2HE PHE 107 -13.623 -8.653 5.124 805 HZ PHE 107 HZ PHE 107 -14.774 -6.630 4.320 806 H TYR 108 H TYR 108 -9.893 -8.247 1.270 807 HA TYR 108 HA TYR 108 -10.389 -10.902 2.445 808 1HB TYR 108 1HB TYR 108 -12.312 -11.096 0.982 809 2HB TYR 108 2HB TYR 108 -12.429 -9.598 1.898 810 HD1 TYR 108 1HD TYR 108 -12.357 -11.076 -1.368 811 HD2 TYR 108 2HD TYR 108 -11.764 -7.432 0.748 812 HE1 TYR 108 1HE TYR 108 -12.623 -9.822 -3.466 813 HE2 TYR 108 2HE TYR 108 -12.029 -6.168 -1.345 814 HH TYR 108 HH TYR 108 -11.695 -6.702 -3.873 815 HA PRO 109 HA PRO 109 -7.904 -12.814 -0.625 816 1HB PRO 109 1HB PRO 109 -9.238 -15.146 -1.016 817 2HB PRO 109 2HB PRO 109 -8.312 -14.803 0.450 818 1HG PRO 109 1HG PRO 109 -11.262 -14.601 -0.017 819 2HG PRO 109 2HG PRO 109 -10.393 -15.257 1.383 820 1HD PRO 109 1HD PRO 109 -11.481 -12.777 1.374 821 2HD PRO 109 2HD PRO 109 -10.004 -13.169 2.278 822 HA PRO 110 HA PRO 110 -9.445 -12.193 -4.696 823 1HB PRO 110 1HB PRO 110 -8.257 -14.191 -6.098 824 2HB PRO 110 2HB PRO 110 -7.371 -12.792 -5.480 825 1HG PRO 110 1HG PRO 110 -7.591 -15.551 -4.339 826 2HG PRO 110 2HG PRO 110 -6.162 -14.511 -4.484 827 1HD PRO 110 1HD PRO 110 -7.533 -14.788 -2.165 828 2HD PRO 110 2HD PRO 110 -6.713 -13.279 -2.615 829 H ASP 111 H ASP 111 -9.496 -15.658 -3.847 830 HA ASP 111 HA ASP 111 -12.257 -15.973 -4.107 831 1HB ASP 111 1HB ASP 111 -10.885 -15.891 -6.623 832 2HB ASP 111 2HB ASP 111 -11.519 -17.514 -6.367 833 H GLU 112 H GLU 112 -9.071 -17.410 -4.395 834 HA GLU 112 HA GLU 112 -9.640 -20.094 -4.106 835 1HB GLU 112 1HB GLU 112 -7.350 -18.464 -3.954 836 2HB GLU 112 2HB GLU 112 -7.370 -19.405 -2.470 837 1HG GLU 112 1HG GLU 112 -6.139 -20.705 -3.944 838 2HG GLU 112 2HG GLU 112 -7.743 -21.435 -3.974 Start of MODEL 12 1 1H ALA 1 1H ALA 1 18.154 5.655 -0.760 2 HA ALA 1 HA ALA 1 17.446 7.389 -2.161 3 1HB ALA 1 1HB ALA 1 18.901 7.112 -4.530 4 2HB ALA 1 2HB ALA 1 19.102 8.349 -3.288 5 3HB ALA 1 3HB ALA 1 20.068 6.875 -3.229 6 HA PRO 2 HA PRO 2 14.688 5.018 -4.616 7 1HB PRO 2 1HB PRO 2 13.954 6.787 -6.540 8 2HB PRO 2 2HB PRO 2 13.423 6.921 -4.860 9 1HG PRO 2 1HG PRO 2 15.633 8.367 -6.268 10 2HG PRO 2 2HG PRO 2 14.425 9.001 -5.135 11 1HD PRO 2 1HD PRO 2 16.962 8.420 -4.386 12 2HD PRO 2 2HD PRO 2 15.579 8.245 -3.288 13 H ILE 3 H ILE 3 17.640 6.080 -5.873 14 HA ILE 3 HA ILE 3 17.265 4.914 -8.508 15 HB ILE 3 HB ILE 3 19.933 5.788 -7.477 16 1HG1 ILE 3 1HG1 ILE 3 17.738 7.645 -8.424 17 2HG1 ILE 3 2HG1 ILE 3 18.381 7.562 -6.788 18 1HG2 ILE 3 1HG2 ILE 3 20.413 5.330 -9.600 19 2HG2 ILE 3 2HG2 ILE 3 18.709 5.161 -10.018 20 3HG2 ILE 3 3HG2 ILE 3 19.469 6.752 -10.041 21 1HD1 ILE 3 1HD1 ILE 3 19.468 9.389 -7.670 22 2HD1 ILE 3 2HD1 ILE 3 20.644 8.098 -7.919 23 3HD1 ILE 3 3HD1 ILE 3 19.642 8.648 -9.261 24 H LYS 4 H LYS 4 18.989 3.389 -9.312 25 HA LYS 4 HA LYS 4 18.972 1.037 -7.754 26 1HB LYS 4 1HB LYS 4 19.825 0.010 -9.598 27 2HB LYS 4 2HB LYS 4 19.304 1.503 -10.368 28 1HG LYS 4 1HG LYS 4 21.751 2.264 -9.688 29 2HG LYS 4 2HG LYS 4 22.035 0.524 -9.770 30 1HD LYS 4 1HD LYS 4 20.946 2.294 -11.956 31 2HD LYS 4 2HD LYS 4 22.523 1.501 -11.916 32 1HE LYS 4 1HE LYS 4 20.912 -0.631 -11.587 33 2HE LYS 4 2HE LYS 4 19.853 0.405 -12.543 34 1HZ LYS 4 1HZ LYS 4 20.982 -0.689 -14.178 35 2HZ LYS 4 2HZ LYS 4 22.410 -0.826 -13.282 36 3HZ LYS 4 3HZ LYS 4 21.994 0.653 -13.992 37 H GLY 5 H GLY 5 20.913 3.772 -7.553 38 1HA GLY 5 2HA GLY 5 22.352 3.693 -5.497 39 2HA GLY 5 1HA GLY 5 23.050 2.243 -6.202 40 H VAL 6 H VAL 6 24.278 2.456 -8.176 41 HA VAL 6 HA VAL 6 25.771 4.955 -8.213 42 HB VAL 6 HB VAL 6 26.325 2.476 -9.839 43 1HG1 VAL 6 1HG1 VAL 6 27.425 4.995 -9.965 44 2HG1 VAL 6 2HG1 VAL 6 28.560 4.112 -8.943 45 3HG1 VAL 6 3HG1 VAL 6 28.170 3.510 -10.555 46 1HG2 VAL 6 1HG2 VAL 6 28.087 2.147 -7.956 47 2HG2 VAL 6 2HG2 VAL 6 26.982 3.130 -6.995 48 3HG2 VAL 6 3HG2 VAL 6 26.428 1.609 -7.696 49 H THR 7 H THR 7 23.519 5.754 -9.133 50 HA THR 7 HA THR 7 24.000 6.357 -11.896 51 HB THR 7 HB THR 7 21.427 4.903 -11.270 52 HG1 THR 7 1HG THR 7 22.633 3.378 -12.859 53 1HG2 THR 7 1HG2 THR 7 22.057 4.875 -14.015 54 2HG2 THR 7 2HG2 THR 7 22.322 6.527 -13.459 55 3HG2 THR 7 3HG2 THR 7 20.756 5.756 -13.215 56 H PHE 8 H PHE 8 22.873 8.165 -12.600 57 HA PHE 8 HA PHE 8 20.628 9.273 -11.317 58 1HB PHE 8 1HB PHE 8 21.630 11.159 -10.148 59 2HB PHE 8 2HB PHE 8 22.245 9.649 -9.483 60 HD1 PHE 8 1HD PHE 8 23.074 12.763 -11.070 61 HD2 PHE 8 2HD PHE 8 24.534 8.874 -10.142 62 HE1 PHE 8 1HE PHE 8 25.377 13.541 -11.449 63 HE2 PHE 8 2HE PHE 8 26.840 9.646 -10.518 64 HZ PHE 8 HZ PHE 8 27.264 11.982 -11.172 65 H GLY 9 H GLY 9 19.684 10.541 -12.777 66 1HA GLY 9 2HA GLY 9 19.378 11.724 -14.726 67 2HA GLY 9 1HA GLY 9 20.775 12.639 -14.180 68 H GLU 10 H GLU 10 20.820 9.228 -15.032 69 HA GLU 10 HA GLU 10 22.926 9.727 -16.945 70 1HB GLU 10 1HB GLU 10 21.619 7.244 -15.865 71 2HB GLU 10 2HB GLU 10 22.729 7.169 -17.226 72 1HG GLU 10 1HG GLU 10 23.483 8.456 -14.625 73 2HG GLU 10 2HG GLU 10 23.681 6.729 -14.915 74 H ASP 11 H ASP 11 19.665 8.308 -17.043 75 HA ASP 11 HA ASP 11 19.505 9.080 -19.873 76 1HB ASP 11 1HB ASP 11 19.912 6.515 -19.271 77 2HB ASP 11 2HB ASP 11 18.167 6.553 -19.040 78 H THR 12 H THR 12 17.393 7.487 -17.483 79 HA THR 12 HA THR 12 15.709 9.697 -17.059 80 HB THR 12 HB THR 12 15.143 9.247 -19.465 81 HG1 THR 12 1HG THR 12 12.749 9.020 -18.848 82 1HG2 THR 12 1HG2 THR 12 13.533 6.898 -18.607 83 2HG2 THR 12 2HG2 THR 12 15.252 6.654 -18.915 84 3HG2 THR 12 3HG2 THR 12 14.210 7.288 -20.188 85 H VAL 13 H VAL 13 13.415 8.819 -16.283 86 HA VAL 13 HA VAL 13 14.033 6.854 -14.239 87 HB VAL 13 HB VAL 13 11.318 8.065 -14.540 88 1HG1 VAL 13 1HG1 VAL 13 11.562 8.129 -12.030 89 2HG1 VAL 13 2HG1 VAL 13 11.545 6.521 -12.756 90 3HG1 VAL 13 3HG1 VAL 13 13.070 7.240 -12.237 91 1HG2 VAL 13 1HG2 VAL 13 12.441 10.057 -14.803 92 2HG2 VAL 13 2HG2 VAL 13 12.338 9.955 -13.045 93 3HG2 VAL 13 3HG2 VAL 13 13.836 9.518 -13.868 94 H TRP 14 H TRP 14 12.460 5.125 -13.736 95 HA TRP 14 HA TRP 14 11.341 3.226 -14.293 96 1HB TRP 14 1HB TRP 14 10.250 5.066 -16.425 97 2HB TRP 14 2HB TRP 14 9.683 3.413 -16.200 98 HD1 TRP 14 HD TRP 14 10.035 6.619 -14.027 99 HE1 TRP 14 1HE TRP 14 8.011 6.718 -12.441 100 HE3 TRP 14 3HE TRP 14 7.761 2.232 -15.338 101 HZ2 TRP 14 2HZ TRP 14 5.750 5.144 -11.825 102 HZ3 TRP 14 3HZ TRP 14 5.672 1.601 -14.203 103 HH2 TRP 14 HH TRP 14 4.689 3.028 -12.482 104 H GLU 15 H GLU 15 13.963 4.078 -15.638 105 HA GLU 15 HA GLU 15 13.976 1.883 -17.583 106 1HB GLU 15 1HB GLU 15 14.617 4.729 -18.084 107 2HB GLU 15 2HB GLU 15 15.739 3.556 -18.760 108 1HG GLU 15 1HG GLU 15 13.324 2.506 -19.474 109 2HG GLU 15 2HG GLU 15 13.021 4.240 -19.569 110 H VAL 16 H VAL 16 15.831 4.088 -15.543 111 HA VAL 16 HA VAL 16 17.882 1.989 -15.274 112 HB VAL 16 HB VAL 16 18.734 3.918 -16.575 113 1HG1 VAL 16 1HG1 VAL 16 17.266 5.462 -14.893 114 2HG1 VAL 16 2HG1 VAL 16 18.887 5.674 -14.228 115 3HG1 VAL 16 3HG1 VAL 16 18.569 6.061 -15.919 116 1HG2 VAL 16 1HG2 VAL 16 20.043 3.793 -13.868 117 2HG2 VAL 16 2HG2 VAL 16 20.163 2.497 -15.058 118 3HG2 VAL 16 3HG2 VAL 16 20.805 4.097 -15.429 119 H GLN 17 H GLN 17 16.001 4.517 -13.755 120 HA GLN 17 HA GLN 17 17.126 4.681 -11.253 121 1HB GLN 17 1HB GLN 17 15.373 6.148 -11.530 122 2HB GLN 17 2HB GLN 17 14.339 4.939 -12.280 123 1HG GLN 17 1HG GLN 17 13.821 3.958 -10.184 124 2HG GLN 17 2HG GLN 17 15.063 4.903 -9.365 125 1HE2 GLN 17 1HE2 GLN 17 11.844 4.827 -10.529 126 2HE2 GLN 17 2HE2 GLN 17 11.366 6.391 -9.972 127 H GLY 18 H GLY 18 14.750 2.293 -12.393 128 1HA GLY 18 2HA GLY 18 14.607 0.055 -11.738 129 2HA GLY 18 1HA GLY 18 15.775 0.377 -10.465 130 H TYR 19 H TYR 19 12.811 2.191 -11.034 131 HA TYR 19 HA TYR 19 11.435 0.864 -8.858 132 1HB TYR 19 1HB TYR 19 12.725 3.515 -8.573 133 2HB TYR 19 2HB TYR 19 11.082 3.385 -7.955 134 HD1 TYR 19 1HD TYR 19 10.571 1.890 -6.085 135 HD2 TYR 19 2HD TYR 19 14.552 2.350 -7.513 136 HE1 TYR 19 1HE TYR 19 11.423 0.851 -4.025 137 HE2 TYR 19 2HE TYR 19 15.416 1.311 -5.457 138 HH TYR 19 HH TYR 19 13.842 1.046 -2.731 139 H LYS 20 H LYS 20 9.233 1.789 -8.528 140 HA LYS 20 HA LYS 20 8.209 3.234 -10.863 141 1HB LYS 20 1HB LYS 20 7.250 0.559 -9.862 142 2HB LYS 20 2HB LYS 20 6.230 1.613 -10.833 143 1HG LYS 20 1HG LYS 20 7.145 0.184 -12.400 144 2HG LYS 20 2HG LYS 20 8.193 1.601 -12.504 145 1HD LYS 20 1HD LYS 20 9.984 0.446 -11.825 146 2HD LYS 20 2HD LYS 20 9.091 -0.316 -10.506 147 1HE LYS 20 1HE LYS 20 8.440 -1.256 -13.226 148 2HE LYS 20 2HE LYS 20 10.054 -1.653 -12.639 149 1HZ LYS 20 1HZ LYS 20 8.093 -2.143 -10.644 150 2HZ LYS 20 2HZ LYS 20 9.219 -3.208 -11.320 151 3HZ LYS 20 3HZ LYS 20 7.717 -2.983 -12.064 152 H ASN 21 H ASN 21 5.613 3.395 -10.390 153 HA ASN 21 HA ASN 21 5.339 4.324 -7.610 154 1HB ASN 21 1HB ASN 21 4.559 5.752 -10.151 155 2HB ASN 21 2HB ASN 21 3.874 6.176 -8.585 156 1HD2 ASN 21 1HD2 ASN 21 6.949 5.762 -10.274 157 2HD2 ASN 21 2HD2 ASN 21 7.794 6.993 -9.405 158 H VAL 22 H VAL 22 3.939 2.944 -6.720 159 HA VAL 22 HA VAL 22 1.558 2.164 -8.267 160 HB VAL 22 HB VAL 22 2.916 0.261 -7.569 161 1HG1 VAL 22 1HG1 VAL 22 3.311 -0.269 -5.253 162 2HG1 VAL 22 2HG1 VAL 22 3.926 1.352 -5.584 163 3HG1 VAL 22 3HG1 VAL 22 2.395 1.145 -4.734 164 1HG2 VAL 22 1HG2 VAL 22 0.162 0.664 -6.934 165 2HG2 VAL 22 2HG2 VAL 22 0.976 -0.815 -7.445 166 3HG2 VAL 22 3HG2 VAL 22 0.879 -0.408 -5.732 167 H ARG 23 H ARG 23 -0.398 2.794 -7.602 168 HA ARG 23 HA ARG 23 -0.587 4.151 -4.997 169 1HB ARG 23 1HB ARG 23 -1.435 4.901 -7.620 170 2HB ARG 23 2HB ARG 23 -2.860 4.711 -6.608 171 1HG ARG 23 1HG ARG 23 -0.872 6.149 -5.152 172 2HG ARG 23 2HG ARG 23 -1.092 6.895 -6.736 173 1HD ARG 23 1HD ARG 23 -3.664 6.443 -6.029 174 2HD ARG 23 2HD ARG 23 -2.934 6.718 -4.448 175 HE ARG 23 HE ARG 23 -2.748 8.929 -4.977 176 1HH1 ARG 23 2HH1 ARG 23 -3.153 7.108 -7.916 177 2HH1 ARG 23 1HH1 ARG 23 -3.275 8.513 -8.923 178 1HH2 ARG 23 2HH2 ARG 23 -2.908 10.786 -6.292 179 2HH2 ARG 23 1HH2 ARG 23 -3.135 10.604 -7.999 180 H ILE 24 H ILE 24 -2.479 3.845 -3.722 181 HA ILE 24 HA ILE 24 -3.998 1.403 -4.356 182 HB ILE 24 HB ILE 24 -3.140 2.183 -1.572 183 1HG1 ILE 24 1HG1 ILE 24 -1.184 1.596 -2.975 184 2HG1 ILE 24 2HG1 ILE 24 -1.472 0.417 -1.700 185 1HG2 ILE 24 1HG2 ILE 24 -4.298 -0.380 -2.659 186 2HG2 ILE 24 2HG2 ILE 24 -3.868 -0.058 -0.980 187 3HG2 ILE 24 3HG2 ILE 24 -5.184 0.837 -1.740 188 1HD1 ILE 24 1HD1 ILE 24 -2.506 0.017 -4.483 189 2HD1 ILE 24 2HD1 ILE 24 -0.877 -0.464 -4.006 190 3HD1 ILE 24 3HD1 ILE 24 -2.277 -1.177 -3.206 191 H THR 25 H THR 25 -6.154 1.509 -4.081 192 HA THR 25 HA THR 25 -7.401 3.428 -2.347 193 HB THR 25 HB THR 25 -7.713 3.772 -5.335 194 HG1 THR 25 1HG THR 25 -6.456 5.477 -5.090 195 1HG2 THR 25 1HG2 THR 25 -9.838 4.263 -4.625 196 2HG2 THR 25 2HG2 THR 25 -9.068 5.829 -4.369 197 3HG2 THR 25 3HG2 THR 25 -9.306 4.731 -3.010 198 H PHE 26 H PHE 26 -8.158 1.341 -1.585 199 HA PHE 26 HA PHE 26 -10.384 0.303 -3.214 200 1HB PHE 26 1HB PHE 26 -8.657 -1.385 -3.067 201 2HB PHE 26 2HB PHE 26 -8.562 -1.192 -1.320 202 HD1 PHE 26 1HD PHE 26 -9.903 -2.470 0.093 203 HD2 PHE 26 2HD PHE 26 -10.829 -2.252 -4.056 204 HE1 PHE 26 1HE PHE 26 -11.590 -4.238 0.380 205 HE2 PHE 26 2HE PHE 26 -12.518 -4.019 -3.775 206 HZ PHE 26 HZ PHE 26 -12.901 -5.014 -1.555 207 H GLU 27 H GLU 27 -9.458 -0.324 0.147 208 HA GLU 27 HA GLU 27 -11.220 1.369 1.445 209 1HB GLU 27 1HB GLU 27 -12.549 -0.852 0.164 210 2HB GLU 27 2HB GLU 27 -12.757 -0.934 1.907 211 1HG GLU 27 1HG GLU 27 -13.272 1.682 1.462 212 2HG GLU 27 2HG GLU 27 -13.851 0.966 -0.041 213 H LEU 28 H LEU 28 -11.137 1.129 3.668 214 HA LEU 28 HA LEU 28 -10.037 -1.289 4.826 215 1HB LEU 28 1HB LEU 28 -8.376 0.929 4.182 216 2HB LEU 28 2HB LEU 28 -8.509 0.829 5.936 217 HG LEU 28 HG LEU 28 -7.871 -1.658 5.607 218 1HD1 LEU 28 1HD1 LEU 28 -7.629 -0.604 2.906 219 2HD1 LEU 28 2HD1 LEU 28 -7.679 -2.272 3.473 220 3HD1 LEU 28 3HD1 LEU 28 -6.155 -1.385 3.478 221 1HD2 LEU 28 1HD2 LEU 28 -5.488 -0.129 4.934 222 2HD2 LEU 28 2HD2 LEU 28 -5.879 -1.035 6.396 223 3HD2 LEU 28 3HD2 LEU 28 -6.451 0.623 6.205 224 H ASP 29 H ASP 29 -10.662 2.147 5.550 225 HA ASP 29 HA ASP 29 -12.201 1.265 7.902 226 1HB ASP 29 1HB ASP 29 -9.867 2.613 8.092 227 2HB ASP 29 2HB ASP 29 -10.990 3.965 7.976 228 H GLU 30 H GLU 30 -13.516 3.354 8.705 229 HA GLU 30 HA GLU 30 -14.999 4.288 6.339 230 1HB GLU 30 1HB GLU 30 -15.882 3.558 9.113 231 2HB GLU 30 2HB GLU 30 -16.853 4.643 8.128 232 1HG GLU 30 1HG GLU 30 -16.141 2.353 6.581 233 2HG GLU 30 2HG GLU 30 -16.832 1.833 8.117 234 H ARG 31 H ARG 31 -13.868 5.235 9.562 235 HA ARG 31 HA ARG 31 -14.482 8.028 9.024 236 1HB ARG 31 1HB ARG 31 -14.613 6.627 11.309 237 2HB ARG 31 2HB ARG 31 -12.971 7.239 11.455 238 1HG ARG 31 1HG ARG 31 -14.021 8.959 12.457 239 2HG ARG 31 2HG ARG 31 -14.222 9.509 10.792 240 1HD ARG 31 1HD ARG 31 -16.443 8.639 10.698 241 2HD ARG 31 2HD ARG 31 -16.244 7.815 12.244 242 HE ARG 31 HE ARG 31 -16.772 9.768 13.300 243 1HH1 ARG 31 2HH1 ARG 31 -15.853 10.479 10.018 244 2HH1 ARG 31 1HH1 ARG 31 -16.279 12.155 10.124 245 1HH2 ARG 31 2HH2 ARG 31 -17.336 11.973 13.452 246 2HH2 ARG 31 1HH2 ARG 31 -17.121 13.004 12.078 247 H VAL 32 H VAL 32 -11.734 5.877 9.186 248 HA VAL 32 HA VAL 32 -9.971 8.137 8.494 249 HB VAL 32 HB VAL 32 -8.096 6.742 9.379 250 1HG1 VAL 32 1HG1 VAL 32 -9.196 6.904 11.865 251 2HG1 VAL 32 2HG1 VAL 32 -8.485 8.259 10.986 252 3HG1 VAL 32 3HG1 VAL 32 -10.229 7.998 10.946 253 1HG2 VAL 32 1HG2 VAL 32 -8.675 4.890 10.912 254 2HG2 VAL 32 2HG2 VAL 32 -10.355 5.019 10.392 255 3HG2 VAL 32 3HG2 VAL 32 -9.108 4.553 9.236 256 H ASP 33 H ASP 33 -11.347 7.064 6.445 257 HA ASP 33 HA ASP 33 -9.827 4.939 5.200 258 1HB ASP 33 1HB ASP 33 -11.433 5.090 3.394 259 2HB ASP 33 2HB ASP 33 -12.294 5.118 4.931 260 H LYS 34 H LYS 34 -10.374 8.403 4.693 261 HA LYS 34 HA LYS 34 -8.719 8.600 2.391 262 1HB LYS 34 1HB LYS 34 -9.281 10.811 2.375 263 2HB LYS 34 2HB LYS 34 -10.552 10.230 3.443 264 1HG LYS 34 1HG LYS 34 -7.934 11.363 4.401 265 2HG LYS 34 2HG LYS 34 -9.419 12.300 4.220 266 1HD LYS 34 1HD LYS 34 -10.153 10.043 5.689 267 2HD LYS 34 2HD LYS 34 -8.600 10.545 6.361 268 1HE LYS 34 1HE LYS 34 -10.919 12.417 5.918 269 2HE LYS 34 2HE LYS 34 -10.616 11.580 7.440 270 1HZ LYS 34 1HZ LYS 34 -9.010 13.687 6.142 271 2HZ LYS 34 2HZ LYS 34 -8.307 12.642 7.272 272 3HZ LYS 34 3HZ LYS 34 -9.604 13.629 7.725 273 H VAL 35 H VAL 35 -8.086 8.490 5.770 274 HA VAL 35 HA VAL 35 -5.668 9.897 5.916 275 HB VAL 35 HB VAL 35 -6.550 7.490 7.516 276 1HG1 VAL 35 1HG1 VAL 35 -4.394 7.514 8.170 277 2HG1 VAL 35 2HG1 VAL 35 -4.131 9.165 7.604 278 3HG1 VAL 35 3HG1 VAL 35 -4.916 8.878 9.157 279 1HG2 VAL 35 1HG2 VAL 35 -6.851 9.533 9.194 280 2HG2 VAL 35 2HG2 VAL 35 -7.108 10.398 7.679 281 3HG2 VAL 35 3HG2 VAL 35 -8.130 9.022 8.093 282 H LEU 36 H LEU 36 -6.421 6.934 4.398 283 HA LEU 36 HA LEU 36 -3.551 6.340 4.092 284 1HB LEU 36 1HB LEU 36 -3.965 4.053 4.105 285 2HB LEU 36 2HB LEU 36 -4.995 4.678 5.391 286 HG LEU 36 HG LEU 36 -6.735 4.695 3.324 287 1HD1 LEU 36 1HD1 LEU 36 -5.767 3.633 1.596 288 2HD1 LEU 36 2HD1 LEU 36 -6.195 2.180 2.498 289 3HD1 LEU 36 3HD1 LEU 36 -4.565 2.843 2.616 290 1HD2 LEU 36 1HD2 LEU 36 -7.836 3.128 4.531 291 2HD2 LEU 36 2HD2 LEU 36 -6.584 3.503 5.716 292 3HD2 LEU 36 3HD2 LEU 36 -6.421 2.085 4.678 293 H ASN 37 H ASN 37 -6.041 7.670 2.542 294 HA ASN 37 HA ASN 37 -5.209 6.596 -0.073 295 1HB ASN 37 1HB ASN 37 -7.938 7.471 0.868 296 2HB ASN 37 2HB ASN 37 -7.534 7.333 -0.841 297 1HD2 ASN 37 1HD2 ASN 37 -9.134 5.811 1.428 298 2HD2 ASN 37 2HD2 ASN 37 -8.849 4.161 1.005 299 H GLU 38 H GLU 38 -5.163 9.232 1.940 300 HA GLU 38 HA GLU 38 -4.877 11.085 -0.334 301 1HB GLU 38 1HB GLU 38 -6.751 11.887 0.821 302 2HB GLU 38 2HB GLU 38 -6.060 11.508 2.393 303 1HG GLU 38 1HG GLU 38 -5.049 13.485 2.555 304 2HG GLU 38 2HG GLU 38 -4.492 13.442 0.883 305 H LYS 39 H LYS 39 -3.682 10.104 2.828 306 HA LYS 39 HA LYS 39 -1.195 11.588 2.279 307 1HB LYS 39 1HB LYS 39 -0.874 11.578 4.776 308 2HB LYS 39 2HB LYS 39 -2.211 12.566 4.202 309 1HG LYS 39 1HG LYS 39 -3.709 10.589 4.713 310 2HG LYS 39 2HG LYS 39 -2.328 9.895 5.567 311 1HD LYS 39 1HD LYS 39 -3.377 10.985 7.291 312 2HD LYS 39 2HD LYS 39 -2.284 12.254 6.733 313 1HE LYS 39 1HE LYS 39 -4.022 13.580 6.355 314 2HE LYS 39 2HE LYS 39 -4.658 12.417 5.194 315 1HZ LYS 39 1HZ LYS 39 -5.248 11.419 7.707 316 2HZ LYS 39 2HZ LYS 39 -6.329 12.076 6.585 317 3HZ LYS 39 3HZ LYS 39 -5.631 13.066 7.766 318 H CYS 40 H CYS 40 -2.064 8.798 1.580 319 HA CYS 40 HA CYS 40 0.382 7.501 1.976 320 1HB CYS 40 1HB CYS 40 -0.939 7.438 4.318 321 2HB CYS 40 2HB CYS 40 -1.629 6.006 3.566 322 HG CYS 40 HG CYS 40 0.629 5.550 5.372 323 H SER 41 H SER 41 -1.093 7.881 -0.238 324 HA SER 41 HA SER 41 -2.354 5.281 -0.798 325 1HB SER 41 1HB SER 41 -3.604 6.338 -2.541 326 2HB SER 41 2HB SER 41 -3.719 7.389 -1.130 327 HG SER 41 HG SER 41 -2.653 8.887 -2.162 328 H VAL 42 H VAL 42 0.092 7.561 -1.844 329 HA VAL 42 HA VAL 42 0.828 5.947 -4.141 330 HB VAL 42 HB VAL 42 1.927 8.514 -3.010 331 1HG1 VAL 42 1HG1 VAL 42 2.983 6.841 -5.280 332 2HG1 VAL 42 2HG1 VAL 42 3.382 8.546 -5.056 333 3HG1 VAL 42 3HG1 VAL 42 3.841 7.362 -3.831 334 1HG2 VAL 42 1HG2 VAL 42 -0.235 8.115 -4.572 335 2HG2 VAL 42 2HG2 VAL 42 0.753 9.575 -4.619 336 3HG2 VAL 42 3HG2 VAL 42 1.015 8.294 -5.803 337 H TYR 43 H TYR 43 2.560 4.617 -4.293 338 HA TYR 43 HA TYR 43 4.481 4.515 -2.091 339 1HB TYR 43 1HB TYR 43 2.898 2.130 -3.069 340 2HB TYR 43 2HB TYR 43 4.279 2.038 -1.982 341 HD1 TYR 43 1HD TYR 43 4.017 2.370 0.337 342 HD2 TYR 43 2HD TYR 43 0.831 3.364 -2.302 343 HE1 TYR 43 1HE TYR 43 2.524 2.684 2.267 344 HE2 TYR 43 2HE TYR 43 -0.670 3.682 -0.380 345 HH TYR 43 HH TYR 43 0.201 2.724 2.810 346 H THR 44 H THR 44 6.384 3.184 -2.612 347 HA THR 44 HA THR 44 6.949 3.276 -5.500 348 HB THR 44 HB THR 44 9.196 3.037 -3.579 349 HG1 THR 44 1HG THR 44 8.647 4.779 -2.526 350 1HG2 THR 44 1HG2 THR 44 9.180 3.322 -6.188 351 2HG2 THR 44 2HG2 THR 44 10.387 4.154 -5.207 352 3HG2 THR 44 3HG2 THR 44 8.973 5.028 -5.793 353 H VAL 45 H VAL 45 8.288 1.608 -6.410 354 HA VAL 45 HA VAL 45 8.667 -0.827 -4.873 355 HB VAL 45 HB VAL 45 6.442 -1.246 -5.606 356 1HG1 VAL 45 1HG1 VAL 45 7.227 0.320 -7.869 357 2HG1 VAL 45 2HG1 VAL 45 6.546 -1.214 -8.417 358 3HG1 VAL 45 3HG1 VAL 45 5.610 -0.161 -7.355 359 1HG2 VAL 45 1HG2 VAL 45 8.149 -2.651 -7.642 360 2HG2 VAL 45 2HG2 VAL 45 8.212 -3.041 -5.923 361 3HG2 VAL 45 3HG2 VAL 45 6.708 -3.249 -6.820 362 H GLU 46 H GLU 46 10.532 -1.742 -5.431 363 HA GLU 46 HA GLU 46 12.198 -0.673 -7.426 364 1HB GLU 46 1HB GLU 46 12.491 -2.438 -5.298 365 2HB GLU 46 2HB GLU 46 12.864 -3.413 -6.712 366 1HG GLU 46 1HG GLU 46 14.150 -0.842 -6.872 367 2HG GLU 46 2HG GLU 46 14.560 -1.666 -5.368 368 H SER 47 H SER 47 13.346 -2.713 -8.801 369 HA SER 47 HA SER 47 11.291 -3.299 -10.779 370 1HB SER 47 1HB SER 47 13.715 -2.353 -11.200 371 2HB SER 47 2HB SER 47 14.165 -4.057 -11.141 372 HG SER 47 HG SER 47 13.675 -3.708 -13.232 373 H GLY 48 H GLY 48 13.189 -4.900 -8.371 374 1HA GLY 48 2HA GLY 48 12.200 -7.507 -9.351 375 2HA GLY 48 1HA GLY 48 13.709 -7.305 -8.473 376 H THR 49 H THR 49 10.203 -7.204 -8.206 377 HA THR 49 HA THR 49 10.464 -7.926 -5.378 378 HB THR 49 HB THR 49 8.275 -6.030 -6.100 379 HG1 THR 49 1HG THR 49 10.332 -5.126 -6.854 380 1HG2 THR 49 1HG2 THR 49 9.204 -5.300 -3.673 381 2HG2 THR 49 2HG2 THR 49 9.669 -7.002 -3.686 382 3HG2 THR 49 3HG2 THR 49 7.981 -6.546 -3.916 383 H GLU 50 H GLU 50 8.339 -8.702 -4.476 384 HA GLU 50 HA GLU 50 6.874 -10.185 -6.558 385 1HB GLU 50 1HB GLU 50 7.957 -10.968 -3.931 386 2HB GLU 50 2HB GLU 50 6.328 -11.542 -4.260 387 1HG GLU 50 1HG GLU 50 7.976 -11.974 -6.556 388 2HG GLU 50 2HG GLU 50 8.758 -12.642 -5.125 389 H VAL 51 H VAL 51 4.608 -10.584 -6.186 390 HA VAL 51 HA VAL 51 3.180 -8.285 -5.436 391 HB VAL 51 HB VAL 51 2.014 -11.061 -5.603 392 1HG1 VAL 51 1HG1 VAL 51 0.377 -9.585 -4.819 393 2HG1 VAL 51 2HG1 VAL 51 0.915 -8.282 -5.880 394 3HG1 VAL 51 3HG1 VAL 51 0.080 -9.682 -6.554 395 1HG2 VAL 51 1HG2 VAL 51 1.616 -9.863 -8.057 396 2HG2 VAL 51 2HG2 VAL 51 3.287 -9.457 -7.666 397 3HG2 VAL 51 3HG2 VAL 51 2.775 -11.144 -7.701 398 H THR 52 H THR 52 4.445 -10.833 -3.562 399 HA THR 52 HA THR 52 2.561 -10.468 -1.372 400 HB THR 52 HB THR 52 3.264 -12.736 -1.744 401 HG1 THR 52 1HG THR 52 3.194 -11.771 0.504 402 1HG2 THR 52 1HG2 THR 52 5.722 -13.308 -1.323 403 2HG2 THR 52 2HG2 THR 52 6.041 -11.594 -1.585 404 3HG2 THR 52 3HG2 THR 52 5.322 -12.563 -2.870 405 H GLU 53 H GLU 53 5.705 -9.412 -2.356 406 HA GLU 53 HA GLU 53 6.743 -8.698 0.173 407 1HB GLU 53 1HB GLU 53 7.657 -8.657 -2.450 408 2HB GLU 53 2HB GLU 53 7.604 -6.958 -1.998 409 1HG GLU 53 1HG GLU 53 9.563 -7.230 -1.015 410 2HG GLU 53 2HG GLU 53 8.764 -8.250 0.180 411 H PHE 54 H PHE 54 4.575 -7.107 -2.056 412 HA PHE 54 HA PHE 54 4.727 -4.536 -0.803 413 1HB PHE 54 1HB PHE 54 2.424 -5.460 -2.500 414 2HB PHE 54 2HB PHE 54 3.101 -3.842 -2.348 415 HD1 PHE 54 1HD PHE 54 5.860 -4.051 -2.871 416 HD2 PHE 54 2HD PHE 54 2.677 -6.264 -4.627 417 HE1 PHE 54 1HE PHE 54 7.237 -4.436 -4.873 418 HE2 PHE 54 2HE PHE 54 4.049 -6.654 -6.631 419 HZ PHE 54 HZ PHE 54 6.333 -5.741 -6.756 420 H ALA 55 H ALA 55 3.084 -7.454 -0.136 421 HA ALA 55 HA ALA 55 0.863 -6.305 1.274 422 1HB ALA 55 1HB ALA 55 1.724 -8.939 0.484 423 2HB ALA 55 2HB ALA 55 1.187 -8.928 2.164 424 3HB ALA 55 3HB ALA 55 0.108 -8.359 0.890 425 H CYS 56 H CYS 56 4.085 -6.443 1.968 426 HA CYS 56 HA CYS 56 3.590 -6.516 4.872 427 1HB CYS 56 1HB CYS 56 5.632 -7.786 3.226 428 2HB CYS 56 2HB CYS 56 6.330 -6.827 4.525 429 HG CYS 56 HG CYS 56 4.325 -8.234 6.307 430 H VAL 57 H VAL 57 4.311 -4.540 2.294 431 HA VAL 57 HA VAL 57 5.836 -2.638 3.937 432 HB VAL 57 HB VAL 57 6.704 -3.309 1.654 433 1HG1 VAL 57 1HG1 VAL 57 4.193 -2.951 0.786 434 2HG1 VAL 57 2HG1 VAL 57 4.866 -1.366 0.398 435 3HG1 VAL 57 3HG1 VAL 57 5.605 -2.825 -0.264 436 1HG2 VAL 57 1HG2 VAL 57 7.636 -1.390 2.664 437 2HG2 VAL 57 2HG2 VAL 57 7.217 -0.907 1.020 438 3HG2 VAL 57 3HG2 VAL 57 6.183 -0.434 2.368 439 H VAL 58 H VAL 58 2.779 -3.181 2.434 440 HA VAL 58 HA VAL 58 1.967 -0.395 2.645 441 HB VAL 58 HB VAL 58 0.350 -2.802 1.797 442 1HG1 VAL 58 1HG1 VAL 58 -0.201 0.154 1.746 443 2HG1 VAL 58 2HG1 VAL 58 -1.082 -0.996 0.739 444 3HG1 VAL 58 3HG1 VAL 58 -1.155 -1.124 2.497 445 1HG2 VAL 58 1HG2 VAL 58 0.961 -0.939 -0.302 446 2HG2 VAL 58 2HG2 VAL 58 2.447 -1.514 0.453 447 3HG2 VAL 58 3HG2 VAL 58 1.293 -2.669 -0.212 448 H ALA 59 H ALA 59 1.799 -3.310 4.461 449 HA ALA 59 HA ALA 59 -0.463 -2.493 6.066 450 1HB ALA 59 1HB ALA 59 1.253 -4.660 7.066 451 2HB ALA 59 2HB ALA 59 -0.495 -4.606 6.835 452 3HB ALA 59 3HB ALA 59 0.567 -4.922 5.462 453 H GLU 60 H GLU 60 3.013 -2.320 6.207 454 HA GLU 60 HA GLU 60 3.000 -1.513 9.003 455 1HB GLU 60 1HB GLU 60 5.367 -1.616 8.914 456 2HB GLU 60 2HB GLU 60 4.784 -2.998 7.996 457 1HG GLU 60 1HG GLU 60 6.183 -2.336 6.405 458 2HG GLU 60 2HG GLU 60 5.015 -1.058 6.075 459 H ALA 61 H ALA 61 2.583 -0.062 6.019 460 HA ALA 61 HA ALA 61 3.752 2.494 6.828 461 1HB ALA 61 1HB ALA 61 4.271 2.455 4.652 462 2HB ALA 61 2HB ALA 61 3.043 1.244 4.282 463 3HB ALA 61 3HB ALA 61 2.597 2.946 4.394 464 H VAL 62 H VAL 62 0.968 0.931 7.419 465 HA VAL 62 HA VAL 62 -0.695 3.355 7.232 466 HB VAL 62 HB VAL 62 -2.586 1.644 7.709 467 1HG1 VAL 62 1HG1 VAL 62 -1.925 0.940 5.053 468 2HG1 VAL 62 2HG1 VAL 62 -3.037 2.194 5.606 469 3HG1 VAL 62 3HG1 VAL 62 -1.339 2.581 5.323 470 1HG2 VAL 62 1HG2 VAL 62 -2.133 -0.612 6.871 471 2HG2 VAL 62 2HG2 VAL 62 -0.433 -0.193 6.662 472 3HG2 VAL 62 3HG2 VAL 62 -1.137 -0.234 8.278 473 H VAL 63 H VAL 63 0.840 1.173 9.381 474 HA VAL 63 HA VAL 63 -0.837 1.632 11.654 475 HB VAL 63 HB VAL 63 2.013 0.634 11.594 476 1HG1 VAL 63 1HG1 VAL 63 1.856 0.758 13.811 477 2HG1 VAL 63 2HG1 VAL 63 0.144 1.180 13.731 478 3HG1 VAL 63 3HG1 VAL 63 0.637 -0.513 13.718 479 1HG2 VAL 63 1HG2 VAL 63 -0.503 -1.016 11.700 480 2HG2 VAL 63 2HG2 VAL 63 0.370 -0.676 10.206 481 3HG2 VAL 63 3HG2 VAL 63 1.156 -1.581 11.500 482 H LYS 64 H LYS 64 1.051 3.710 10.021 483 HA LYS 64 HA LYS 64 1.927 5.150 12.436 484 1HB LYS 64 1HB LYS 64 3.468 6.374 10.925 485 2HB LYS 64 2HB LYS 64 3.780 4.644 10.970 486 1HG LYS 64 1HG LYS 64 1.973 5.027 8.870 487 2HG LYS 64 2HG LYS 64 3.157 6.329 8.732 488 1HD LYS 64 1HD LYS 64 3.770 3.380 8.925 489 2HD LYS 64 2HD LYS 64 3.867 4.369 7.467 490 1HE LYS 64 1HE LYS 64 5.400 5.744 9.320 491 2HE LYS 64 2HE LYS 64 5.773 4.050 9.633 492 1HZ LYS 64 1HZ LYS 64 7.057 5.427 7.822 493 2HZ LYS 64 2HZ LYS 64 5.754 4.957 6.852 494 3HZ LYS 64 3HZ LYS 64 6.718 3.785 7.598 495 H THR 65 H THR 65 -0.223 5.193 9.783 496 HA THR 65 HA THR 65 -0.844 8.033 10.266 497 HB THR 65 HB THR 65 -2.088 6.842 7.903 498 HG1 THR 65 1HG THR 65 0.739 7.180 7.870 499 1HG2 THR 65 1HG2 THR 65 -1.182 8.892 6.857 500 2HG2 THR 65 2HG2 THR 65 -0.336 9.260 8.361 501 3HG2 THR 65 3HG2 THR 65 -2.099 9.231 8.324 502 H LEU 66 H LEU 66 -2.055 4.793 10.322 503 HA LEU 66 HA LEU 66 -4.766 5.774 10.902 504 1HB LEU 66 1HB LEU 66 -3.743 3.097 9.993 505 2HB LEU 66 2HB LEU 66 -5.383 3.333 10.595 506 HG LEU 66 HG LEU 66 -5.477 3.326 8.218 507 1HD1 LEU 66 1HD1 LEU 66 -5.576 6.204 9.102 508 2HD1 LEU 66 2HD1 LEU 66 -6.843 5.017 9.408 509 3HD1 LEU 66 3HD1 LEU 66 -6.444 5.473 7.752 510 1HD2 LEU 66 1HD2 LEU 66 -3.867 5.662 7.641 511 2HD2 LEU 66 2HD2 LEU 66 -3.856 4.068 6.885 512 3HD2 LEU 66 3HD2 LEU 66 -2.907 4.359 8.343 513 H GLN 67 H GLN 67 -2.635 5.926 12.824 514 HA GLN 67 HA GLN 67 -3.699 4.087 14.863 515 1HB GLN 67 1HB GLN 67 -1.516 3.919 15.871 516 2HB GLN 67 2HB GLN 67 -1.389 3.481 14.172 517 1HG GLN 67 1HG GLN 67 0.307 4.900 14.055 518 2HG GLN 67 2HG GLN 67 -0.885 6.193 14.182 519 1HE2 GLN 67 1HE2 GLN 67 0.976 3.972 16.225 520 2HE2 GLN 67 2HE2 GLN 67 1.288 5.115 17.482 521 HA PRO 68 HA PRO 68 -3.685 8.738 16.013 522 1HB PRO 68 1HB PRO 68 -6.285 9.328 15.499 523 2HB PRO 68 2HB PRO 68 -4.998 9.541 14.306 524 1HG PRO 68 1HG PRO 68 -6.965 7.302 14.591 525 2HG PRO 68 2HG PRO 68 -6.419 8.132 13.122 526 1HD PRO 68 1HD PRO 68 -5.451 5.719 13.877 527 2HD PRO 68 2HD PRO 68 -4.466 6.913 13.008 528 H VAL 69 H VAL 69 -6.463 6.514 16.297 529 HA VAL 69 HA VAL 69 -6.246 6.630 19.198 530 HB VAL 69 HB VAL 69 -8.752 6.997 19.376 531 1HG1 VAL 69 1HG1 VAL 69 -8.483 9.278 19.664 532 2HG1 VAL 69 2HG1 VAL 69 -6.821 8.691 19.754 533 3HG1 VAL 69 3HG1 VAL 69 -7.415 9.433 18.269 534 1HG2 VAL 69 1HG2 VAL 69 -9.996 7.333 17.564 535 2HG2 VAL 69 2HG2 VAL 69 -8.917 8.605 16.990 536 3HG2 VAL 69 3HG2 VAL 69 -8.586 6.920 16.588 537 H SER 70 H SER 70 -5.524 4.424 18.457 538 HA SER 70 HA SER 70 -7.208 2.535 17.313 539 1HB SER 70 1HB SER 70 -5.797 0.871 18.690 540 2HB SER 70 2HB SER 70 -4.950 1.908 17.543 541 HG SER 70 HG SER 70 -4.018 1.759 19.711 542 H ASP 71 H ASP 71 -7.123 3.797 20.558 543 HA ASP 71 HA ASP 71 -8.598 1.788 21.861 544 1HB ASP 71 1HB ASP 71 -7.724 4.513 22.436 545 2HB ASP 71 2HB ASP 71 -9.291 4.142 23.148 546 H LEU 72 H LEU 72 -9.529 4.087 19.532 547 HA LEU 72 HA LEU 72 -12.359 3.889 20.275 548 1HB LEU 72 1HB LEU 72 -10.810 5.740 18.500 549 2HB LEU 72 2HB LEU 72 -12.561 5.598 18.351 550 HG LEU 72 HG LEU 72 -11.164 6.370 20.907 551 1HD1 LEU 72 1HD1 LEU 72 -12.485 8.592 19.913 552 2HD1 LEU 72 2HD1 LEU 72 -11.654 7.918 18.512 553 3HD1 LEU 72 3HD1 LEU 72 -10.741 8.337 19.961 554 1HD2 LEU 72 1HD2 LEU 72 -13.902 7.244 20.424 555 2HD2 LEU 72 2HD2 LEU 72 -13.191 6.467 21.839 556 3HD2 LEU 72 3HD2 LEU 72 -13.729 5.490 20.472 557 H LEU 73 H LEU 73 -10.084 3.160 17.696 558 HA LEU 73 HA LEU 73 -11.976 2.320 15.773 559 1HB LEU 73 1HB LEU 73 -9.230 1.151 15.952 560 2HB LEU 73 2HB LEU 73 -10.177 1.555 14.522 561 HG LEU 73 HG LEU 73 -8.666 3.430 16.330 562 1HD1 LEU 73 1HD1 LEU 73 -7.116 2.776 14.812 563 2HD1 LEU 73 2HD1 LEU 73 -7.898 4.029 13.849 564 3HD1 LEU 73 3HD1 LEU 73 -8.321 2.335 13.602 565 1HD2 LEU 73 1HD2 LEU 73 -10.252 4.942 15.908 566 2HD2 LEU 73 2HD2 LEU 73 -11.026 3.920 14.696 567 3HD2 LEU 73 3HD2 LEU 73 -9.653 4.934 14.249 568 H THR 74 H THR 74 -10.223 0.611 18.318 569 HA THR 74 HA THR 74 -10.843 -2.009 17.672 570 HB THR 74 HB THR 74 -10.815 -0.988 20.510 571 HG1 THR 74 1HG THR 74 -8.667 -1.402 18.695 572 1HG2 THR 74 1HG2 THR 74 -9.593 -3.222 20.789 573 2HG2 THR 74 2HG2 THR 74 -10.192 -3.609 19.176 574 3HG2 THR 74 3HG2 THR 74 -11.329 -3.281 20.483 575 H ASN 75 H ASN 75 -12.824 0.443 19.213 576 HA ASN 75 HA ASN 75 -14.926 -1.401 19.910 577 1HB ASN 75 1HB ASN 75 -15.584 0.271 21.244 578 2HB ASN 75 2HB ASN 75 -14.216 1.214 20.658 579 1HD2 ASN 75 1HD2 ASN 75 -14.617 3.024 19.588 580 2HD2 ASN 75 2HD2 ASN 75 -16.160 3.511 18.982 581 H MET 76 H MET 76 -14.050 0.492 17.172 582 HA MET 76 HA MET 76 -16.722 0.327 16.010 583 1HB MET 76 1HB MET 76 -14.183 1.591 14.962 584 2HB MET 76 2HB MET 76 -15.748 1.659 14.163 585 1HG MET 76 1HG MET 76 -16.652 2.815 16.168 586 2HG MET 76 2HG MET 76 -15.016 2.860 16.820 587 1HE MET 76 1HE MET 76 -13.173 5.452 14.771 588 2HE MET 76 2HE MET 76 -13.281 4.541 16.278 589 3HE MET 76 3HE MET 76 -13.011 3.695 14.753 590 H GLY 77 H GLY 77 -14.730 -1.966 16.472 591 1HA GLY 77 2HA GLY 77 -14.433 -3.994 15.409 592 2HA GLY 77 1HA GLY 77 -15.364 -3.369 14.056 593 H ILE 78 H ILE 78 -12.476 -1.847 15.351 594 HA ILE 78 HA ILE 78 -10.935 -2.783 13.038 595 HB ILE 78 HB ILE 78 -11.354 0.094 13.824 596 1HG1 ILE 78 1HG1 ILE 78 -11.360 -0.646 10.998 597 2HG1 ILE 78 2HG1 ILE 78 -12.578 -1.511 11.928 598 1HG2 ILE 78 1HG2 ILE 78 -9.618 0.546 12.017 599 2HG2 ILE 78 2HG2 ILE 78 -9.022 -0.029 13.573 600 3HG2 ILE 78 3HG2 ILE 78 -9.143 -1.141 12.210 601 1HD1 ILE 78 1HD1 ILE 78 -13.867 0.288 12.071 602 2HD1 ILE 78 2HD1 ILE 78 -12.518 1.313 12.564 603 3HD1 ILE 78 3HD1 ILE 78 -12.817 1.011 10.853 604 H ASP 79 H ASP 79 -9.246 -3.796 13.890 605 HA ASP 79 HA ASP 79 -8.069 -2.796 16.381 606 1HB ASP 79 1HB ASP 79 -8.611 -5.386 15.420 607 2HB ASP 79 2HB ASP 79 -6.857 -5.226 15.409 608 H LEU 80 H LEU 80 -6.146 -1.819 16.434 609 HA LEU 80 HA LEU 80 -4.763 -1.316 13.948 610 1HB LEU 80 1HB LEU 80 -5.194 0.318 15.912 611 2HB LEU 80 2HB LEU 80 -3.791 -0.457 16.646 612 HG LEU 80 HG LEU 80 -3.371 1.717 15.426 613 1HD1 LEU 80 1HD1 LEU 80 -1.807 -0.483 15.776 614 2HD1 LEU 80 2HD1 LEU 80 -1.245 1.070 15.160 615 3HD1 LEU 80 3HD1 LEU 80 -1.673 -0.220 14.037 616 1HD2 LEU 80 1HD2 LEU 80 -3.637 0.003 12.965 617 2HD2 LEU 80 2HD2 LEU 80 -3.287 1.730 13.050 618 3HD2 LEU 80 3HD2 LEU 80 -4.882 1.129 13.507 619 H ASP 81 H ASP 81 -4.387 -3.339 16.739 620 HA ASP 81 HA ASP 81 -1.610 -3.929 16.277 621 1HB ASP 81 1HB ASP 81 -3.517 -4.407 18.346 622 2HB ASP 81 2HB ASP 81 -2.836 -5.956 17.858 623 H GLU 82 H GLU 82 -4.639 -5.123 15.147 624 HA GLU 82 HA GLU 82 -3.531 -7.649 14.235 625 1HB GLU 82 1HB GLU 82 -5.692 -8.319 13.810 626 2HB GLU 82 2HB GLU 82 -5.965 -7.148 15.093 627 1HG GLU 82 1HG GLU 82 -6.407 -5.442 13.315 628 2HG GLU 82 2HG GLU 82 -6.356 -6.754 12.140 629 H TRP 83 H TRP 83 -4.332 -4.498 12.979 630 HA TRP 83 HA TRP 83 -4.419 -5.061 10.245 631 1HB TRP 83 1HB TRP 83 -3.764 -2.623 11.855 632 2HB TRP 83 2HB TRP 83 -3.483 -2.605 10.116 633 HD1 TRP 83 HD TRP 83 -6.475 -4.625 11.128 634 HE1 TRP 83 1HE TRP 83 -8.628 -3.338 10.551 635 HE3 TRP 83 3HE TRP 83 -4.427 -0.074 10.017 636 HZ2 TRP 83 2HZ TRP 83 -9.361 -0.738 9.733 637 HZ3 TRP 83 3HZ TRP 83 -5.923 1.760 9.345 638 HH2 TRP 83 HH TRP 83 -8.339 1.433 9.206 639 H SER 84 H SER 84 -1.748 -4.895 12.441 640 HA SER 84 HA SER 84 0.230 -4.710 10.325 641 1HB SER 84 1HB SER 84 1.768 -5.165 12.425 642 2HB SER 84 2HB SER 84 1.027 -3.584 12.179 643 HG SER 84 HG SER 84 -0.465 -4.032 13.718 644 H VAL 85 H VAL 85 -1.369 -7.132 12.195 645 HA VAL 85 HA VAL 85 0.442 -9.183 11.096 646 HB VAL 85 HB VAL 85 -0.218 -10.646 12.933 647 1HG1 VAL 85 1HG1 VAL 85 1.019 -9.597 14.672 648 2HG1 VAL 85 2HG1 VAL 85 1.705 -9.043 13.144 649 3HG1 VAL 85 3HG1 VAL 85 0.631 -7.988 14.063 650 1HG2 VAL 85 1HG2 VAL 85 -2.024 -10.295 14.181 651 2HG2 VAL 85 2HG2 VAL 85 -1.444 -8.701 14.662 652 3HG2 VAL 85 3HG2 VAL 85 -2.381 -8.887 13.180 653 H ALA 86 H ALA 86 -1.664 -8.105 9.572 654 HA ALA 86 HA ALA 86 -3.572 -10.352 9.513 655 1HB ALA 86 1HB ALA 86 -4.846 -8.479 8.065 656 2HB ALA 86 2HB ALA 86 -5.044 -8.666 9.808 657 3HB ALA 86 3HB ALA 86 -3.942 -7.446 9.172 658 H THR 87 H THR 87 -4.616 -10.378 7.151 659 HA THR 87 HA THR 87 -2.339 -10.661 5.313 660 HB THR 87 HB THR 87 -5.048 -11.890 4.868 661 HG1 THR 87 1HG THR 87 -4.676 -13.173 6.499 662 1HG2 THR 87 1HG2 THR 87 -3.747 -13.527 3.591 663 2HG2 THR 87 2HG2 THR 87 -2.260 -12.678 4.013 664 3HG2 THR 87 3HG2 THR 87 -3.468 -11.890 2.999 665 H PHE 88 H PHE 88 -2.193 -8.673 4.359 666 HA PHE 88 HA PHE 88 -4.583 -7.425 3.260 667 1HB PHE 88 1HB PHE 88 -1.770 -6.559 3.752 668 2HB PHE 88 2HB PHE 88 -2.682 -5.736 2.491 669 HD1 PHE 88 1HD PHE 88 -3.080 -3.626 3.376 670 HD2 PHE 88 2HD PHE 88 -3.889 -7.073 5.738 671 HE1 PHE 88 1HE PHE 88 -4.146 -2.205 5.078 672 HE2 PHE 88 2HE PHE 88 -4.958 -5.658 7.443 673 HZ PHE 88 HZ PHE 88 -5.089 -3.221 7.114 674 H TYR 89 H TYR 89 -5.269 -8.174 1.365 675 HA TYR 89 HA TYR 89 -3.363 -9.208 -0.582 676 1HB TYR 89 1HB TYR 89 -6.387 -9.189 -0.551 677 2HB TYR 89 2HB TYR 89 -5.409 -9.904 -1.829 678 HD1 TYR 89 1HD TYR 89 -6.658 -10.284 1.572 679 HD2 TYR 89 2HD TYR 89 -4.093 -11.935 -1.395 680 HE1 TYR 89 1HE TYR 89 -6.562 -12.391 2.836 681 HE2 TYR 89 2HE TYR 89 -3.991 -14.047 -0.139 682 HH TYR 89 HH TYR 89 -6.074 -14.710 2.516 683 H LEU 90 H LEU 90 -3.587 -8.586 -2.870 684 HA LEU 90 HA LEU 90 -4.621 -5.881 -3.299 685 1HB LEU 90 1HB LEU 90 -1.864 -6.702 -4.183 686 2HB LEU 90 2HB LEU 90 -2.603 -5.107 -4.311 687 HG LEU 90 HG LEU 90 -2.602 -5.733 -1.576 688 1HD1 LEU 90 1HD1 LEU 90 0.228 -5.928 -2.289 689 2HD1 LEU 90 2HD1 LEU 90 -0.719 -7.362 -2.683 690 3HD1 LEU 90 3HD1 LEU 90 -0.688 -6.754 -1.028 691 1HD2 LEU 90 1HD2 LEU 90 -1.481 -3.739 -1.385 692 2HD2 LEU 90 2HD2 LEU 90 -2.187 -3.570 -2.992 693 3HD2 LEU 90 3HD2 LEU 90 -0.493 -4.029 -2.816 694 H PHE 91 H PHE 91 -5.497 -5.566 -5.275 695 HA PHE 91 HA PHE 91 -5.139 -7.704 -7.271 696 1HB PHE 91 1HB PHE 91 -7.606 -6.486 -6.165 697 2HB PHE 91 2HB PHE 91 -7.593 -6.786 -7.899 698 HD1 PHE 91 1HD PHE 91 -6.753 -9.188 -8.586 699 HD2 PHE 91 2HD PHE 91 -8.323 -8.158 -4.767 700 HE1 PHE 91 1HE PHE 91 -7.311 -11.551 -8.182 701 HE2 PHE 91 2HE PHE 91 -8.883 -10.518 -4.356 702 HZ PHE 91 HZ PHE 91 -8.376 -12.218 -6.064 703 H ASP 92 H ASP 92 -6.116 -6.850 -9.478 704 HA ASP 92 HA ASP 92 -4.886 -4.215 -9.954 705 1HB ASP 92 1HB ASP 92 -4.265 -6.648 -11.124 706 2HB ASP 92 2HB ASP 92 -5.292 -5.870 -12.324 707 H ASP 93 H ASP 93 -5.827 -3.729 -12.490 708 HA ASP 93 HA ASP 93 -8.531 -2.903 -11.916 709 1HB ASP 93 1HB ASP 93 -8.388 -1.590 -13.907 710 2HB ASP 93 2HB ASP 93 -6.828 -1.465 -13.100 711 H ALA 94 H ALA 94 -7.295 -5.732 -12.947 712 HA ALA 94 HA ALA 94 -9.657 -6.325 -14.609 713 1HB ALA 94 1HB ALA 94 -8.331 -7.968 -15.821 714 2HB ALA 94 2HB ALA 94 -7.605 -6.365 -15.942 715 3HB ALA 94 3HB ALA 94 -6.918 -7.564 -14.847 716 H GLY 95 H GLY 95 -8.375 -6.775 -11.651 717 1HA GLY 95 2HA GLY 95 -9.199 -8.166 -9.968 718 2HA GLY 95 1HA GLY 95 -9.975 -9.153 -11.197 719 H GLU 96 H GLU 96 -6.579 -8.268 -11.247 720 HA GLU 96 HA GLU 96 -5.906 -11.079 -10.670 721 1HB GLU 96 1HB GLU 96 -3.951 -10.752 -12.206 722 2HB GLU 96 2HB GLU 96 -5.519 -10.718 -13.000 723 1HG GLU 96 1HG GLU 96 -5.368 -8.174 -12.774 724 2HG GLU 96 2HG GLU 96 -3.662 -8.441 -12.424 725 H GLU 97 H GLU 97 -4.005 -11.485 -9.510 726 HA GLU 97 HA GLU 97 -3.278 -9.386 -7.672 727 1HB GLU 97 1HB GLU 97 -3.569 -11.955 -7.232 728 2HB GLU 97 2HB GLU 97 -1.897 -12.040 -7.767 729 1HG GLU 97 1HG GLU 97 -1.110 -11.138 -5.877 730 2HG GLU 97 2HG GLU 97 -2.427 -9.972 -5.763 731 H ASN 98 H ASN 98 -2.352 -8.003 -9.385 732 HA ASN 98 HA ASN 98 0.448 -8.742 -9.931 733 1HB ASN 98 1HB ASN 98 -1.529 -7.277 -11.675 734 2HB ASN 98 2HB ASN 98 0.208 -7.186 -11.948 735 1HD2 ASN 98 1HD2 ASN 98 -2.050 -8.347 -13.516 736 2HD2 ASN 98 2HD2 ASN 98 -1.564 -9.970 -13.853 737 H PHE 99 H PHE 99 1.579 -6.503 -10.702 738 HA PHE 99 HA PHE 99 1.025 -4.566 -8.551 739 1HB PHE 99 1HB PHE 99 3.538 -4.038 -8.801 740 2HB PHE 99 2HB PHE 99 3.085 -5.518 -7.961 741 HD1 PHE 99 1HD PHE 99 4.666 -4.095 -10.909 742 HD2 PHE 99 2HD PHE 99 3.402 -7.695 -9.023 743 HE1 PHE 99 1HE PHE 99 6.065 -5.395 -12.460 744 HE2 PHE 99 2HE PHE 99 4.799 -9.001 -10.571 745 HZ PHE 99 HZ PHE 99 6.133 -7.852 -12.292 746 H SER 100 H SER 100 -0.415 -3.947 -10.566 747 HA SER 100 HA SER 100 0.962 -2.475 -12.622 748 1HB SER 100 1HB SER 100 -1.194 -2.042 -13.542 749 2HB SER 100 2HB SER 100 -1.253 -3.690 -12.916 750 HG SER 100 HG SER 100 -2.975 -1.929 -12.380 751 H SER 101 H SER 101 0.017 -0.171 -13.078 752 HA SER 101 HA SER 101 1.047 1.585 -11.219 753 1HB SER 101 1HB SER 101 -0.121 1.806 -13.729 754 2HB SER 101 2HB SER 101 -1.175 2.766 -12.692 755 HG SER 101 HG SER 101 0.328 4.216 -13.052 756 H ARG 102 H ARG 102 -2.257 0.392 -11.533 757 HA ARG 102 HA ARG 102 -2.855 1.586 -8.908 758 1HB ARG 102 1HB ARG 102 -4.055 2.811 -10.649 759 2HB ARG 102 2HB ARG 102 -4.731 1.307 -11.262 760 1HG ARG 102 1HG ARG 102 -6.490 1.784 -9.983 761 2HG ARG 102 2HG ARG 102 -5.483 1.252 -8.634 762 1HD ARG 102 1HD ARG 102 -6.360 3.367 -8.028 763 2HD ARG 102 2HD ARG 102 -4.669 3.628 -8.454 764 HE ARG 102 HE ARG 102 -5.354 4.960 -10.179 765 1HH1 ARG 102 2HH1 ARG 102 -8.040 3.016 -9.119 766 2HH1 ARG 102 1HH1 ARG 102 -9.193 3.828 -10.127 767 1HH2 ARG 102 2HH2 ARG 102 -6.862 6.036 -11.510 768 2HH2 ARG 102 1HH2 ARG 102 -8.521 5.544 -11.487 769 H MET 103 H MET 103 -3.132 0.051 -7.441 770 HA MET 103 HA MET 103 -4.524 -2.418 -8.229 771 1HB MET 103 1HB MET 103 -2.983 -3.493 -6.411 772 2HB MET 103 2HB MET 103 -2.377 -3.256 -8.045 773 1HG MET 103 1HG MET 103 -0.905 -1.654 -7.420 774 2HG MET 103 2HG MET 103 -1.933 -1.060 -6.118 775 1HE MET 103 1HE MET 103 1.142 -4.240 -6.345 776 2HE MET 103 2HE MET 103 0.773 -2.857 -7.375 777 3HE MET 103 3HE MET 103 1.752 -2.640 -5.923 778 H TYR 104 H TYR 104 -6.191 -2.940 -6.963 779 HA TYR 104 HA TYR 104 -6.852 -1.249 -4.730 780 1HB TYR 104 1HB TYR 104 -8.276 -3.680 -5.830 781 2HB TYR 104 2HB TYR 104 -8.931 -2.567 -4.635 782 HD1 TYR 104 1HD TYR 104 -8.473 -3.234 -8.132 783 HD2 TYR 104 2HD TYR 104 -9.311 -0.155 -5.318 784 HE1 TYR 104 1HE TYR 104 -9.375 -1.835 -9.942 785 HE2 TYR 104 2HE TYR 104 -10.217 1.253 -7.120 786 HH TYR 104 HH TYR 104 -11.218 0.916 -9.393 787 H CYS 105 H CYS 105 -6.520 -1.641 -2.638 788 HA CYS 105 HA CYS 105 -5.353 -4.221 -1.887 789 1HB CYS 105 1HB CYS 105 -4.040 -2.248 -1.304 790 2HB CYS 105 2HB CYS 105 -5.404 -1.576 -0.420 791 HG CYS 105 HG CYS 105 -3.158 -2.785 1.121 792 H SER 106 H SER 106 -6.901 -5.639 -1.354 793 HA SER 106 HA SER 106 -9.097 -4.726 0.378 794 1HB SER 106 1HB SER 106 -9.165 -7.406 -0.931 795 2HB SER 106 2HB SER 106 -10.485 -6.287 -0.591 796 HG SER 106 HG SER 106 -10.244 -6.047 -2.712 797 H PHE 107 H PHE 107 -9.904 -6.435 1.927 798 HA PHE 107 HA PHE 107 -7.605 -7.484 3.389 799 1HB PHE 107 1HB PHE 107 -9.815 -6.129 4.245 800 2HB PHE 107 2HB PHE 107 -10.286 -7.794 4.569 801 HD1 PHE 107 1HD PHE 107 -8.618 -4.984 5.836 802 HD2 PHE 107 2HD PHE 107 -8.475 -9.238 5.804 803 HE1 PHE 107 1HE PHE 107 -7.287 -4.952 7.905 804 HE2 PHE 107 2HE PHE 107 -7.144 -9.212 7.873 805 HZ PHE 107 HZ PHE 107 -6.549 -7.068 8.927 806 H TYR 108 H TYR 108 -10.683 -8.571 2.022 807 HA TYR 108 HA TYR 108 -10.449 -11.267 2.846 808 1HB TYR 108 1HB TYR 108 -12.266 -11.717 1.315 809 2HB TYR 108 2HB TYR 108 -12.578 -10.190 2.135 810 HD1 TYR 108 1HD TYR 108 -12.114 -8.036 0.896 811 HD2 TYR 108 2HD TYR 108 -12.143 -11.827 -1.035 812 HE1 TYR 108 1HE TYR 108 -12.388 -6.920 -1.278 813 HE2 TYR 108 2HE TYR 108 -12.415 -10.721 -3.215 814 HH TYR 108 HH TYR 108 -12.659 -7.185 -3.463 815 HA PRO 109 HA PRO 109 -7.605 -13.002 -0.012 816 1HB PRO 109 1HB PRO 109 -8.646 -15.486 -0.349 817 2HB PRO 109 2HB PRO 109 -7.838 -14.977 1.138 818 1HG PRO 109 1HG PRO 109 -10.765 -15.136 0.531 819 2HG PRO 109 2HG PRO 109 -9.898 -15.628 1.998 820 1HD PRO 109 1HD PRO 109 -11.258 -13.292 1.822 821 2HD PRO 109 2HD PRO 109 -9.793 -13.473 2.809 822 HA PRO 110 HA PRO 110 -9.001 -12.742 -4.174 823 1HB PRO 110 1HB PRO 110 -7.536 -14.657 -5.421 824 2HB PRO 110 2HB PRO 110 -6.838 -13.142 -4.835 825 1HG PRO 110 1HG PRO 110 -6.814 -15.855 -3.569 826 2HG PRO 110 2HG PRO 110 -5.501 -14.671 -3.702 827 1HD PRO 110 1HD PRO 110 -6.946 -14.994 -1.435 828 2HD PRO 110 2HD PRO 110 -6.273 -13.425 -1.924 829 H ASP 111 H ASP 111 -8.678 -16.168 -3.224 830 HA ASP 111 HA ASP 111 -11.365 -16.830 -3.499 831 1HB ASP 111 1HB ASP 111 -9.983 -16.607 -6.025 832 2HB ASP 111 2HB ASP 111 -10.522 -18.264 -5.765 833 H GLU 112 H GLU 112 -8.026 -17.852 -3.811 834 HA GLU 112 HA GLU 112 -8.491 -20.615 -3.322 835 1HB GLU 112 1HB GLU 112 -6.454 -20.046 -4.396 836 2HB GLU 112 2HB GLU 112 -6.038 -18.875 -3.152 837 1HG GLU 112 1HG GLU 112 -6.382 -21.532 -2.059 838 2HG GLU 112 2HG GLU 112 -5.159 -21.488 -3.328 Start of MODEL 13 1 1H ALA 1 1H ALA 1 14.640 12.835 -5.773 2 HA ALA 1 HA ALA 1 13.130 11.182 -6.209 3 1HB ALA 1 1HB ALA 1 12.864 11.214 -8.409 4 2HB ALA 1 2HB ALA 1 14.520 11.788 -8.610 5 3HB ALA 1 3HB ALA 1 14.184 10.057 -8.588 6 HA PRO 2 HA PRO 2 14.528 7.275 -4.783 7 1HB PRO 2 1HB PRO 2 12.756 5.567 -5.928 8 2HB PRO 2 2HB PRO 2 12.322 6.657 -4.606 9 1HG PRO 2 1HG PRO 2 11.863 6.970 -7.548 10 2HG PRO 2 2HG PRO 2 10.761 7.312 -6.201 11 1HD PRO 2 1HD PRO 2 12.153 9.255 -7.474 12 2HD PRO 2 2HD PRO 2 11.745 9.347 -5.749 13 H ILE 3 H ILE 3 16.479 7.692 -6.270 14 HA ILE 3 HA ILE 3 16.550 6.067 -8.670 15 HB ILE 3 HB ILE 3 18.856 7.512 -7.371 16 1HG1 ILE 3 1HG1 ILE 3 16.998 8.544 -9.524 17 2HG1 ILE 3 2HG1 ILE 3 16.934 9.035 -7.835 18 1HG2 ILE 3 1HG2 ILE 3 19.385 7.572 -9.983 19 2HG2 ILE 3 2HG2 ILE 3 19.872 6.233 -8.945 20 3HG2 ILE 3 3HG2 ILE 3 18.419 6.098 -9.934 21 1HD1 ILE 3 1HD1 ILE 3 18.629 10.459 -8.075 22 2HD1 ILE 3 2HD1 ILE 3 19.575 9.320 -9.034 23 3HD1 ILE 3 3HD1 ILE 3 18.328 10.299 -9.805 24 H LYS 4 H LYS 4 18.155 4.407 -9.011 25 HA LYS 4 HA LYS 4 18.178 2.442 -7.027 26 1HB LYS 4 1HB LYS 4 19.102 2.717 -9.713 27 2HB LYS 4 2HB LYS 4 20.403 2.022 -8.754 28 1HG LYS 4 1HG LYS 4 17.715 0.860 -8.371 29 2HG LYS 4 2HG LYS 4 18.499 0.560 -9.923 30 1HD LYS 4 1HD LYS 4 19.505 -1.145 -8.872 31 2HD LYS 4 2HD LYS 4 20.530 0.097 -8.148 32 1HE LYS 4 1HE LYS 4 19.205 0.165 -6.182 33 2HE LYS 4 2HE LYS 4 17.928 -0.795 -6.927 34 1HZ LYS 4 1HZ LYS 4 20.174 -2.351 -7.110 35 2HZ LYS 4 2HZ LYS 4 18.905 -2.547 -6.010 36 3HZ LYS 4 3HZ LYS 4 20.278 -1.663 -5.568 37 H GLY 5 H GLY 5 20.629 1.393 -6.701 38 1HA GLY 5 2HA GLY 5 21.713 2.719 -4.544 39 2HA GLY 5 1HA GLY 5 22.596 1.556 -5.522 40 H VAL 6 H VAL 6 23.700 2.376 -7.448 41 HA VAL 6 HA VAL 6 24.577 5.165 -7.064 42 HB VAL 6 HB VAL 6 26.194 2.931 -8.293 43 1HG1 VAL 6 1HG1 VAL 6 26.489 5.664 -8.507 44 2HG1 VAL 6 2HG1 VAL 6 27.602 5.231 -7.207 45 3HG1 VAL 6 3HG1 VAL 6 27.744 4.458 -8.787 46 1HG2 VAL 6 1HG2 VAL 6 26.151 2.245 -6.103 47 2HG2 VAL 6 2HG2 VAL 6 27.524 3.352 -6.066 48 3HG2 VAL 6 3HG2 VAL 6 25.947 3.882 -5.479 49 H THR 7 H THR 7 22.975 5.975 -8.480 50 HA THR 7 HA THR 7 23.764 5.909 -11.255 51 HB THR 7 HB THR 7 20.869 5.337 -10.895 52 HG1 THR 7 1HG THR 7 21.218 3.146 -10.689 53 1HG2 THR 7 1HG2 THR 7 21.079 4.341 -13.044 54 2HG2 THR 7 2HG2 THR 7 22.837 4.283 -12.919 55 3HG2 THR 7 3HG2 THR 7 22.015 5.834 -13.090 56 H PHE 8 H PHE 8 22.990 7.663 -12.439 57 HA PHE 8 HA PHE 8 20.942 9.400 -11.593 58 1HB PHE 8 1HB PHE 8 22.185 11.285 -10.756 59 2HB PHE 8 2HB PHE 8 22.619 9.874 -9.797 60 HD1 PHE 8 1HD PHE 8 23.835 12.590 -11.712 61 HD2 PHE 8 2HD PHE 8 24.762 8.620 -10.491 62 HE1 PHE 8 1HE PHE 8 26.212 13.000 -12.198 63 HE2 PHE 8 2HE PHE 8 27.141 9.023 -10.974 64 HZ PHE 8 HZ PHE 8 27.869 11.215 -11.827 65 H GLY 9 H GLY 9 20.316 10.576 -13.300 66 1HA GLY 9 2HA GLY 9 20.276 11.363 -15.460 67 2HA GLY 9 1HA GLY 9 21.884 11.969 -15.092 68 H GLU 10 H GLU 10 20.399 8.789 -15.748 69 HA GLU 10 HA GLU 10 22.737 8.112 -17.377 70 1HB GLU 10 1HB GLU 10 20.673 6.541 -15.914 71 2HB GLU 10 2HB GLU 10 21.384 5.817 -17.349 72 1HG GLU 10 1HG GLU 10 23.008 6.898 -15.064 73 2HG GLU 10 2HG GLU 10 22.479 5.221 -15.179 74 H ASP 11 H ASP 11 19.234 8.419 -17.546 75 HA ASP 11 HA ASP 11 19.273 9.030 -20.310 76 1HB ASP 11 1HB ASP 11 19.567 6.416 -20.102 77 2HB ASP 11 2HB ASP 11 17.827 6.457 -19.834 78 H THR 12 H THR 12 17.015 7.277 -18.175 79 HA THR 12 HA THR 12 15.368 9.574 -17.759 80 HB THR 12 HB THR 12 14.734 8.991 -20.096 81 HG1 THR 12 1HG THR 12 12.372 8.653 -19.417 82 1HG2 THR 12 1HG2 THR 12 13.748 6.435 -18.822 83 2HG2 THR 12 2HG2 THR 12 15.050 6.580 -20.004 84 3HG2 THR 12 3HG2 THR 12 13.391 6.957 -20.468 85 H VAL 13 H VAL 13 13.178 8.828 -16.762 86 HA VAL 13 HA VAL 13 13.846 6.977 -14.644 87 HB VAL 13 HB VAL 13 11.131 8.199 -14.946 88 1HG1 VAL 13 1HG1 VAL 13 12.915 7.422 -12.654 89 2HG1 VAL 13 2HG1 VAL 13 11.463 8.402 -12.437 90 3HG1 VAL 13 3HG1 VAL 13 11.336 6.766 -13.085 91 1HG2 VAL 13 1HG2 VAL 13 12.331 10.136 -15.359 92 2HG2 VAL 13 2HG2 VAL 13 12.174 10.160 -13.603 93 3HG2 VAL 13 3HG2 VAL 13 13.685 9.637 -14.346 94 H TRP 14 H TRP 14 12.266 5.309 -13.956 95 HA TRP 14 HA TRP 14 11.123 3.380 -14.335 96 1HB TRP 14 1HB TRP 14 9.970 5.126 -16.503 97 2HB TRP 14 2HB TRP 14 9.448 3.458 -16.281 98 HD1 TRP 14 HD TRP 14 9.678 6.708 -14.167 99 HE1 TRP 14 1HE TRP 14 7.687 6.729 -12.536 100 HE3 TRP 14 3HE TRP 14 7.642 2.161 -15.313 101 HZ2 TRP 14 2HZ TRP 14 5.537 5.042 -11.830 102 HZ3 TRP 14 3HZ TRP 14 5.618 1.439 -14.113 103 HH2 TRP 14 HH TRP 14 4.589 2.851 -12.408 104 H GLU 15 H GLU 15 13.708 4.110 -15.821 105 HA GLU 15 HA GLU 15 13.664 1.760 -17.569 106 1HB GLU 15 1HB GLU 15 14.392 4.553 -18.337 107 2HB GLU 15 2HB GLU 15 15.289 3.222 -19.055 108 1HG GLU 15 1HG GLU 15 12.494 2.658 -19.198 109 2HG GLU 15 2HG GLU 15 12.802 4.269 -19.842 110 H VAL 16 H VAL 16 15.562 4.157 -15.809 111 HA VAL 16 HA VAL 16 17.673 2.127 -15.473 112 HB VAL 16 HB VAL 16 18.383 4.031 -16.928 113 1HG1 VAL 16 1HG1 VAL 16 18.302 6.197 -16.295 114 2HG1 VAL 16 2HG1 VAL 16 17.006 5.618 -15.247 115 3HG1 VAL 16 3HG1 VAL 16 18.635 5.828 -14.603 116 1HG2 VAL 16 1HG2 VAL 16 19.700 2.985 -14.581 117 2HG2 VAL 16 2HG2 VAL 16 20.360 3.326 -16.181 118 3HG2 VAL 16 3HG2 VAL 16 20.280 4.605 -14.969 119 H GLN 17 H GLN 17 15.751 4.667 -14.041 120 HA GLN 17 HA GLN 17 16.967 5.034 -11.600 121 1HB GLN 17 1HB GLN 17 15.154 6.421 -11.900 122 2HB GLN 17 2HB GLN 17 14.136 5.134 -12.532 123 1HG GLN 17 1HG GLN 17 13.675 4.299 -10.385 124 2HG GLN 17 2HG GLN 17 14.976 5.238 -9.655 125 1HE2 GLN 17 1HE2 GLN 17 11.725 5.267 -10.823 126 2HE2 GLN 17 2HE2 GLN 17 11.303 6.836 -10.237 127 H GLY 18 H GLY 18 14.681 2.478 -12.526 128 1HA GLY 18 2HA GLY 18 14.638 0.288 -11.721 129 2HA GLY 18 1HA GLY 18 15.827 0.737 -10.506 130 H TYR 19 H TYR 19 12.779 2.398 -11.094 131 HA TYR 19 HA TYR 19 11.508 1.152 -8.811 132 1HB TYR 19 1HB TYR 19 12.593 3.937 -8.745 133 2HB TYR 19 2HB TYR 19 11.083 3.594 -7.909 134 HD1 TYR 19 1HD TYR 19 11.048 1.994 -6.023 135 HD2 TYR 19 2HD TYR 19 14.688 3.163 -7.890 136 HE1 TYR 19 1HE TYR 19 12.307 1.137 -4.091 137 HE2 TYR 19 2HE TYR 19 15.957 2.308 -5.964 138 HH TYR 19 HH TYR 19 15.486 1.886 -3.491 139 H LYS 20 H LYS 20 9.279 1.917 -8.507 140 HA LYS 20 HA LYS 20 8.148 3.263 -10.856 141 1HB LYS 20 1HB LYS 20 7.349 0.576 -9.756 142 2HB LYS 20 2HB LYS 20 6.240 1.552 -10.711 143 1HG LYS 20 1HG LYS 20 7.184 0.109 -12.262 144 2HG LYS 20 2HG LYS 20 8.109 1.598 -12.468 145 1HD LYS 20 1HD LYS 20 10.019 0.655 -11.739 146 2HD LYS 20 2HD LYS 20 9.199 -0.259 -10.471 147 1HE LYS 20 1HE LYS 20 9.815 -1.992 -11.807 148 2HE LYS 20 2HE LYS 20 8.277 -1.598 -12.572 149 1HZ LYS 20 1HZ LYS 20 10.137 -1.887 -14.153 150 2HZ LYS 20 2HZ LYS 20 10.900 -0.540 -13.472 151 3HZ LYS 20 3HZ LYS 20 9.410 -0.363 -14.254 152 H ASN 21 H ASN 21 5.561 3.333 -10.338 153 HA ASN 21 HA ASN 21 5.230 4.212 -7.558 154 1HB ASN 21 1HB ASN 21 4.474 5.812 -10.011 155 2HB ASN 21 2HB ASN 21 3.986 6.216 -8.368 156 1HD2 ASN 21 1HD2 ASN 21 6.857 5.577 -10.333 157 2HD2 ASN 21 2HD2 ASN 21 7.877 6.714 -9.525 158 H VAL 22 H VAL 22 3.766 2.787 -6.845 159 HA VAL 22 HA VAL 22 1.388 2.284 -8.513 160 HB VAL 22 HB VAL 22 2.581 0.233 -8.103 161 1HG1 VAL 22 1HG1 VAL 22 2.357 0.870 -5.163 162 2HG1 VAL 22 2HG1 VAL 22 3.044 -0.597 -5.863 163 3HG1 VAL 22 3HG1 VAL 22 3.833 0.959 -6.124 164 1HG2 VAL 22 1HG2 VAL 22 -0.080 0.664 -7.456 165 2HG2 VAL 22 2HG2 VAL 22 0.683 -0.893 -7.781 166 3HG2 VAL 22 3HG2 VAL 22 0.537 -0.313 -6.122 167 H ARG 23 H ARG 23 -0.575 2.816 -7.757 168 HA ARG 23 HA ARG 23 -0.708 4.047 -5.099 169 1HB ARG 23 1HB ARG 23 -2.047 4.510 -7.675 170 2HB ARG 23 2HB ARG 23 -3.119 4.577 -6.282 171 1HG ARG 23 1HG ARG 23 -2.318 6.782 -6.768 172 2HG ARG 23 2HG ARG 23 -1.607 6.237 -5.248 173 1HD ARG 23 1HD ARG 23 0.493 6.096 -6.122 174 2HD ARG 23 2HD ARG 23 -0.089 5.705 -7.740 175 HE ARG 23 HE ARG 23 -0.665 8.398 -6.899 176 1HH1 ARG 23 2HH1 ARG 23 1.650 6.291 -8.423 177 2HH1 ARG 23 1HH1 ARG 23 2.431 7.566 -9.297 178 1HH2 ARG 23 2HH2 ARG 23 0.356 10.086 -8.044 179 2HH2 ARG 23 1HH2 ARG 23 1.695 9.725 -9.080 180 H ILE 24 H ILE 24 -2.832 3.768 -3.935 181 HA ILE 24 HA ILE 24 -4.091 1.170 -4.387 182 HB ILE 24 HB ILE 24 -3.170 1.880 -1.618 183 1HG1 ILE 24 1HG1 ILE 24 -1.682 0.285 -3.712 184 2HG1 ILE 24 2HG1 ILE 24 -1.140 1.761 -2.922 185 1HG2 ILE 24 1HG2 ILE 24 -3.410 -0.917 -2.425 186 2HG2 ILE 24 2HG2 ILE 24 -4.053 -0.084 -1.010 187 3HG2 ILE 24 3HG2 ILE 24 -4.915 -0.007 -2.547 188 1HD1 ILE 24 1HD1 ILE 24 -0.079 0.478 -1.468 189 2HD1 ILE 24 2HD1 ILE 24 -1.654 -0.015 -0.846 190 3HD1 ILE 24 3HD1 ILE 24 -0.857 -0.975 -2.093 191 H THR 25 H THR 25 -6.197 1.049 -3.718 192 HA THR 25 HA THR 25 -7.445 2.708 -1.841 193 HB THR 25 HB THR 25 -7.057 4.550 -3.358 194 HG1 THR 25 1HG THR 25 -9.188 4.253 -2.295 195 1HG2 THR 25 1HG2 THR 25 -7.052 2.847 -5.383 196 2HG2 THR 25 2HG2 THR 25 -7.462 4.547 -5.616 197 3HG2 THR 25 3HG2 THR 25 -8.741 3.339 -5.496 198 H PHE 26 H PHE 26 -8.484 0.814 -1.288 199 HA PHE 26 HA PHE 26 -10.481 -0.153 -3.227 200 1HB PHE 26 1HB PHE 26 -8.568 -1.749 -2.659 201 2HB PHE 26 2HB PHE 26 -9.271 -1.851 -1.048 202 HD1 PHE 26 1HD PHE 26 -11.221 -3.136 -0.632 203 HD2 PHE 26 2HD PHE 26 -9.824 -2.579 -4.614 204 HE1 PHE 26 1HE PHE 26 -12.757 -4.892 -1.412 205 HE2 PHE 26 2HE PHE 26 -11.359 -4.334 -5.401 206 HZ PHE 26 HZ PHE 26 -12.829 -5.492 -3.799 207 H GLU 27 H GLU 27 -9.941 -0.745 0.236 208 HA GLU 27 HA GLU 27 -11.901 0.893 1.289 209 1HB GLU 27 1HB GLU 27 -13.006 -1.368 -0.116 210 2HB GLU 27 2HB GLU 27 -13.400 -1.469 1.594 211 1HG GLU 27 1HG GLU 27 -13.913 1.160 1.014 212 2HG GLU 27 2HG GLU 27 -14.410 0.328 -0.459 213 H LEU 28 H LEU 28 -11.105 1.038 3.272 214 HA LEU 28 HA LEU 28 -10.517 -1.445 4.736 215 1HB LEU 28 1HB LEU 28 -8.770 0.849 4.179 216 2HB LEU 28 2HB LEU 28 -8.792 0.328 5.862 217 HG LEU 28 HG LEU 28 -8.015 -1.861 5.256 218 1HD1 LEU 28 1HD1 LEU 28 -7.325 -2.065 2.719 219 2HD1 LEU 28 2HD1 LEU 28 -8.670 -0.945 2.507 220 3HD1 LEU 28 3HD1 LEU 28 -8.938 -2.510 3.274 221 1HD2 LEU 28 1HD2 LEU 28 -6.376 0.016 5.474 222 2HD2 LEU 28 2HD2 LEU 28 -6.380 0.146 3.715 223 3HD2 LEU 28 3HD2 LEU 28 -5.818 -1.336 4.488 224 H ASP 29 H ASP 29 -10.816 2.077 5.228 225 HA ASP 29 HA ASP 29 -12.521 1.500 7.562 226 1HB ASP 29 1HB ASP 29 -10.051 2.732 7.637 227 2HB ASP 29 2HB ASP 29 -11.168 4.093 7.622 228 H GLU 30 H GLU 30 -13.636 3.765 8.188 229 HA GLU 30 HA GLU 30 -14.854 4.785 5.705 230 1HB GLU 30 1HB GLU 30 -16.936 5.110 7.074 231 2HB GLU 30 2HB GLU 30 -16.488 3.433 6.798 232 1HG GLU 30 1HG GLU 30 -16.271 3.025 8.971 233 2HG GLU 30 2HG GLU 30 -15.338 4.497 9.239 234 H ARG 31 H ARG 31 -13.705 5.513 8.932 235 HA ARG 31 HA ARG 31 -14.162 8.376 8.468 236 1HB ARG 31 1HB ARG 31 -13.338 7.002 11.030 237 2HB ARG 31 2HB ARG 31 -13.833 8.679 10.846 238 1HG ARG 31 1HG ARG 31 -15.652 6.383 10.190 239 2HG ARG 31 2HG ARG 31 -15.542 7.083 11.807 240 1HD ARG 31 1HD ARG 31 -15.822 9.258 10.079 241 2HD ARG 31 2HD ARG 31 -16.948 8.041 9.477 242 HE ARG 31 HE ARG 31 -17.119 8.390 12.310 243 1HH1 ARG 31 2HH1 ARG 31 -18.132 9.681 9.239 244 2HH1 ARG 31 1HH1 ARG 31 -19.566 10.417 9.875 245 1HH2 ARG 31 2HH2 ARG 31 -19.003 9.355 13.158 246 2HH2 ARG 31 1HH2 ARG 31 -20.060 10.232 12.104 247 H VAL 32 H VAL 32 -11.668 5.988 9.100 248 HA VAL 32 HA VAL 32 -9.629 8.075 8.671 249 HB VAL 32 HB VAL 32 -8.049 6.621 9.889 250 1HG1 VAL 32 1HG1 VAL 32 -9.495 6.763 12.149 251 2HG1 VAL 32 2HG1 VAL 32 -8.749 8.168 11.383 252 3HG1 VAL 32 3HG1 VAL 32 -10.456 7.816 11.111 253 1HG2 VAL 32 1HG2 VAL 32 -8.634 4.622 10.901 254 2HG2 VAL 32 2HG2 VAL 32 -10.360 4.984 10.856 255 3HG2 VAL 32 3HG2 VAL 32 -9.512 4.541 9.374 256 H ASP 33 H ASP 33 -10.917 6.828 6.513 257 HA ASP 33 HA ASP 33 -9.143 4.743 5.539 258 1HB ASP 33 1HB ASP 33 -11.750 5.018 5.171 259 2HB ASP 33 2HB ASP 33 -11.227 6.011 3.814 260 H LYS 34 H LYS 34 -9.799 8.145 5.009 261 HA LYS 34 HA LYS 34 -8.303 8.453 2.632 262 1HB LYS 34 1HB LYS 34 -8.795 10.672 2.804 263 2HB LYS 34 2HB LYS 34 -9.984 10.059 3.946 264 1HG LYS 34 1HG LYS 34 -7.261 11.103 4.695 265 2HG LYS 34 2HG LYS 34 -8.761 12.029 4.778 266 1HD LYS 34 1HD LYS 34 -9.285 9.638 6.132 267 2HD LYS 34 2HD LYS 34 -7.671 10.128 6.653 268 1HE LYS 34 1HE LYS 34 -10.027 12.002 6.622 269 2HE LYS 34 2HE LYS 34 -9.607 11.014 8.021 270 1HZ LYS 34 1HZ LYS 34 -7.765 12.241 8.454 271 2HZ LYS 34 2HZ LYS 34 -8.696 13.450 7.723 272 3HZ LYS 34 3HZ LYS 34 -7.497 12.653 6.835 273 H VAL 35 H VAL 35 -7.369 7.988 5.883 274 HA VAL 35 HA VAL 35 -4.912 9.355 5.942 275 HB VAL 35 HB VAL 35 -5.723 6.840 7.407 276 1HG1 VAL 35 1HG1 VAL 35 -3.556 6.737 7.955 277 2HG1 VAL 35 2HG1 VAL 35 -3.233 8.365 7.354 278 3HG1 VAL 35 3HG1 VAL 35 -3.890 8.137 8.975 279 1HG2 VAL 35 1HG2 VAL 35 -7.204 8.373 8.223 280 2HG2 VAL 35 2HG2 VAL 35 -5.832 8.709 9.280 281 3HG2 VAL 35 3HG2 VAL 35 -6.144 9.742 7.886 282 H LEU 36 H LEU 36 -5.882 6.481 4.333 283 HA LEU 36 HA LEU 36 -3.072 5.910 3.654 284 1HB LEU 36 1HB LEU 36 -3.525 3.611 3.542 285 2HB LEU 36 2HB LEU 36 -4.280 4.171 5.033 286 HG LEU 36 HG LEU 36 -6.378 4.341 3.347 287 1HD1 LEU 36 1HD1 LEU 36 -6.151 3.167 1.484 288 2HD1 LEU 36 2HD1 LEU 36 -5.673 1.741 2.404 289 3HD1 LEU 36 3HD1 LEU 36 -4.453 2.901 1.879 290 1HD2 LEU 36 1HD2 LEU 36 -7.019 2.085 4.242 291 2HD2 LEU 36 2HD2 LEU 36 -6.510 3.256 5.459 292 3HD2 LEU 36 3HD2 LEU 36 -5.404 1.981 4.944 293 H ASN 37 H ASN 37 -5.625 7.392 2.468 294 HA ASN 37 HA ASN 37 -5.201 6.379 -0.266 295 1HB ASN 37 1HB ASN 37 -7.407 6.111 -0.511 296 2HB ASN 37 2HB ASN 37 -7.626 6.545 1.182 297 1HD2 ASN 37 1HD2 ASN 37 -8.516 7.278 -1.884 298 2HD2 ASN 37 2HD2 ASN 37 -9.034 8.911 -1.656 299 H GLU 38 H GLU 38 -4.952 8.990 1.855 300 HA GLU 38 HA GLU 38 -4.646 10.858 -0.404 301 1HB GLU 38 1HB GLU 38 -6.461 11.735 0.766 302 2HB GLU 38 2HB GLU 38 -5.807 11.267 2.329 303 1HG GLU 38 1HG GLU 38 -4.650 13.167 2.558 304 2HG GLU 38 2HG GLU 38 -4.167 13.197 0.863 305 H LYS 39 H LYS 39 -3.637 10.421 2.990 306 HA LYS 39 HA LYS 39 -1.106 11.742 2.412 307 1HB LYS 39 1HB LYS 39 -0.723 11.608 4.832 308 2HB LYS 39 2HB LYS 39 -2.278 12.346 4.469 309 1HG LYS 39 1HG LYS 39 -3.151 9.888 4.768 310 2HG LYS 39 2HG LYS 39 -1.668 9.713 5.708 311 1HD LYS 39 1HD LYS 39 -3.414 10.333 7.216 312 2HD LYS 39 2HD LYS 39 -2.358 11.733 7.016 313 1HE LYS 39 1HE LYS 39 -4.380 11.835 5.016 314 2HE LYS 39 2HE LYS 39 -5.155 11.544 6.573 315 1HZ LYS 39 1HZ LYS 39 -4.405 13.527 7.419 316 2HZ LYS 39 2HZ LYS 39 -4.674 13.954 5.805 317 3HZ LYS 39 3HZ LYS 39 -3.102 13.638 6.344 318 H CYS 40 H CYS 40 -1.995 8.912 1.560 319 HA CYS 40 HA CYS 40 0.532 7.726 1.552 320 1HB CYS 40 1HB CYS 40 -0.475 7.485 4.052 321 2HB CYS 40 2HB CYS 40 -1.129 6.027 3.316 322 HG CYS 40 HG CYS 40 1.739 6.358 4.658 323 H SER 41 H SER 41 -1.003 8.027 -0.505 324 HA SER 41 HA SER 41 -2.469 5.516 -0.939 325 1HB SER 41 1HB SER 41 -2.957 7.125 -3.143 326 2HB SER 41 2HB SER 41 -4.023 6.928 -1.752 327 HG SER 41 HG SER 41 -3.647 9.101 -2.005 328 H VAL 42 H VAL 42 0.190 7.473 -2.071 329 HA VAL 42 HA VAL 42 0.732 5.589 -4.250 330 HB VAL 42 HB VAL 42 0.880 7.810 -5.028 331 1HG1 VAL 42 1HG1 VAL 42 0.999 9.323 -3.359 332 2HG1 VAL 42 2HG1 VAL 42 2.072 8.320 -2.380 333 3HG1 VAL 42 3HG1 VAL 42 2.725 9.269 -3.716 334 1HG2 VAL 42 1HG2 VAL 42 3.716 6.999 -4.398 335 2HG2 VAL 42 2HG2 VAL 42 2.744 6.317 -5.702 336 3HG2 VAL 42 3HG2 VAL 42 3.176 8.026 -5.726 337 H TYR 43 H TYR 43 2.609 4.401 -4.382 338 HA TYR 43 HA TYR 43 4.492 4.561 -2.140 339 1HB TYR 43 1HB TYR 43 3.360 1.947 -3.149 340 2HB TYR 43 2HB TYR 43 4.464 2.175 -1.797 341 HD1 TYR 43 1HD TYR 43 3.628 2.447 0.365 342 HD2 TYR 43 2HD TYR 43 1.026 3.015 -2.953 343 HE1 TYR 43 1HE TYR 43 1.716 2.625 1.902 344 HE2 TYR 43 2HE TYR 43 -0.893 3.195 -1.426 345 HH TYR 43 HH TYR 43 -0.589 2.530 1.992 346 H THR 44 H THR 44 6.456 3.148 -2.581 347 HA THR 44 HA THR 44 7.143 3.330 -5.443 348 HB THR 44 HB THR 44 9.367 3.248 -3.506 349 HG1 THR 44 1HG THR 44 7.682 5.540 -3.728 350 1HG2 THR 44 1HG2 THR 44 10.231 5.014 -5.011 351 2HG2 THR 44 2HG2 THR 44 8.714 4.959 -5.908 352 3HG2 THR 44 3HG2 THR 44 9.772 3.549 -5.877 353 H VAL 45 H VAL 45 8.251 1.651 -6.406 354 HA VAL 45 HA VAL 45 8.887 -0.701 -4.783 355 HB VAL 45 HB VAL 45 6.715 -1.292 -5.504 356 1HG1 VAL 45 1HG1 VAL 45 7.371 0.343 -7.780 357 2HG1 VAL 45 2HG1 VAL 45 6.707 -1.208 -8.298 358 3HG1 VAL 45 3HG1 VAL 45 5.793 -0.181 -7.194 359 1HG2 VAL 45 1HG2 VAL 45 8.560 -2.512 -7.550 360 2HG2 VAL 45 2HG2 VAL 45 8.516 -2.992 -5.854 361 3HG2 VAL 45 3HG2 VAL 45 7.094 -3.218 -6.871 362 H GLU 46 H GLU 46 10.867 -1.371 -5.256 363 HA GLU 46 HA GLU 46 12.412 -0.301 -7.344 364 1HB GLU 46 1HB GLU 46 12.945 -1.728 -5.075 365 2HB GLU 46 2HB GLU 46 13.273 -2.922 -6.324 366 1HG GLU 46 1HG GLU 46 15.071 -1.796 -7.131 367 2HG GLU 46 2HG GLU 46 14.427 -0.218 -6.682 368 H SER 47 H SER 47 13.771 -2.312 -8.559 369 HA SER 47 HA SER 47 11.789 -3.275 -10.464 370 1HB SER 47 1HB SER 47 14.117 -2.112 -10.961 371 2HB SER 47 2HB SER 47 14.717 -3.764 -10.817 372 HG SER 47 HG SER 47 13.476 -2.630 -12.880 373 H GLY 48 H GLY 48 13.046 -4.419 -7.681 374 1HA GLY 48 2HA GLY 48 12.761 -7.211 -8.590 375 2HA GLY 48 1HA GLY 48 14.083 -6.745 -7.532 376 H THR 49 H THR 49 10.532 -6.592 -7.725 377 HA THR 49 HA THR 49 10.437 -7.366 -4.892 378 HB THR 49 HB THR 49 8.373 -5.451 -5.871 379 HG1 THR 49 1HG THR 49 10.032 -3.845 -4.873 380 1HG2 THR 49 1HG2 THR 49 8.918 -4.660 -3.409 381 2HG2 THR 49 2HG2 THR 49 9.597 -6.283 -3.285 382 3HG2 THR 49 3HG2 THR 49 7.900 -6.067 -3.712 383 H GLU 50 H GLU 50 8.627 -8.574 -4.273 384 HA GLU 50 HA GLU 50 7.195 -9.801 -6.521 385 1HB GLU 50 1HB GLU 50 7.242 -10.851 -3.703 386 2HB GLU 50 2HB GLU 50 6.903 -11.724 -5.190 387 1HG GLU 50 1HG GLU 50 9.006 -12.405 -5.167 388 2HG GLU 50 2HG GLU 50 9.477 -10.745 -5.531 389 H VAL 51 H VAL 51 4.926 -10.568 -5.959 390 HA VAL 51 HA VAL 51 3.353 -8.298 -5.280 391 HB VAL 51 HB VAL 51 2.298 -11.110 -5.452 392 1HG1 VAL 51 1HG1 VAL 51 1.172 -8.363 -5.877 393 2HG1 VAL 51 2HG1 VAL 51 0.395 -9.793 -6.560 394 3HG1 VAL 51 3HG1 VAL 51 0.594 -9.645 -4.813 395 1HG2 VAL 51 1HG2 VAL 51 3.667 -10.933 -7.381 396 2HG2 VAL 51 2HG2 VAL 51 2.012 -10.632 -7.911 397 3HG2 VAL 51 3HG2 VAL 51 3.128 -9.283 -7.696 398 H THR 52 H THR 52 4.792 -10.742 -3.421 399 HA THR 52 HA THR 52 2.854 -10.569 -1.253 400 HB THR 52 HB THR 52 3.738 -12.767 -1.632 401 HG1 THR 52 1HG THR 52 4.366 -13.192 0.445 402 1HG2 THR 52 1HG2 THR 52 5.795 -12.276 -2.765 403 2HG2 THR 52 2HG2 THR 52 6.180 -13.220 -1.326 404 3HG2 THR 52 3HG2 THR 52 6.450 -11.478 -1.336 405 H GLU 53 H GLU 53 5.958 -9.303 -2.160 406 HA GLU 53 HA GLU 53 6.883 -8.519 0.383 407 1HB GLU 53 1HB GLU 53 7.938 -8.481 -2.114 408 2HB GLU 53 2HB GLU 53 7.564 -6.776 -1.904 409 1HG GLU 53 1HG GLU 53 8.799 -7.625 0.475 410 2HG GLU 53 2HG GLU 53 9.744 -8.289 -0.856 411 H PHE 54 H PHE 54 4.704 -7.014 -1.918 412 HA PHE 54 HA PHE 54 4.626 -4.460 -0.681 413 1HB PHE 54 1HB PHE 54 2.390 -5.656 -2.309 414 2HB PHE 54 2HB PHE 54 2.840 -3.961 -2.153 415 HD1 PHE 54 1HD PHE 54 5.618 -3.829 -2.704 416 HD2 PHE 54 2HD PHE 54 2.686 -6.360 -4.468 417 HE1 PHE 54 1HE PHE 54 6.999 -4.009 -4.733 418 HE2 PHE 54 2HE PHE 54 4.062 -6.545 -6.499 419 HZ PHE 54 HZ PHE 54 6.222 -5.369 -6.633 420 H ALA 55 H ALA 55 3.127 -7.485 0.010 421 HA ALA 55 HA ALA 55 0.910 -6.477 1.497 422 1HB ALA 55 1HB ALA 55 0.286 -8.594 1.290 423 2HB ALA 55 2HB ALA 55 1.881 -9.026 0.673 424 3HB ALA 55 3HB ALA 55 1.565 -9.070 2.408 425 H CYS 56 H CYS 56 4.177 -6.438 2.110 426 HA CYS 56 HA CYS 56 3.774 -6.499 5.026 427 1HB CYS 56 1HB CYS 56 5.532 -8.003 3.727 428 2HB CYS 56 2HB CYS 56 6.506 -6.541 3.824 429 HG CYS 56 HG CYS 56 7.066 -6.634 6.374 430 H VAL 57 H VAL 57 4.355 -4.481 2.378 431 HA VAL 57 HA VAL 57 5.539 -2.380 4.057 432 HB VAL 57 HB VAL 57 6.622 -2.976 1.854 433 1HG1 VAL 57 1HG1 VAL 57 5.561 -2.787 -0.116 434 2HG1 VAL 57 2HG1 VAL 57 4.094 -2.899 0.857 435 3HG1 VAL 57 3HG1 VAL 57 4.711 -1.320 0.368 436 1HG2 VAL 57 1HG2 VAL 57 6.984 -0.612 1.211 437 2HG2 VAL 57 2HG2 VAL 57 5.662 -0.149 2.283 438 3HG2 VAL 57 3HG2 VAL 57 7.121 -0.885 2.948 439 H VAL 58 H VAL 58 2.651 -3.320 2.437 440 HA VAL 58 HA VAL 58 1.512 -0.633 2.585 441 HB VAL 58 HB VAL 58 0.246 -3.171 1.543 442 1HG1 VAL 58 1HG1 VAL 58 -1.277 -1.542 0.396 443 2HG1 VAL 58 2HG1 VAL 58 -1.444 -1.604 2.152 444 3HG1 VAL 58 3HG1 VAL 58 -0.566 -0.274 1.395 445 1HG2 VAL 58 1HG2 VAL 58 2.321 -1.635 0.423 446 2HG2 VAL 58 2HG2 VAL 58 1.391 -2.922 -0.345 447 3HG2 VAL 58 3HG2 VAL 58 0.859 -1.246 -0.485 448 H ALA 59 H ALA 59 1.657 -3.506 4.398 449 HA ALA 59 HA ALA 59 -0.770 -2.816 5.904 450 1HB ALA 59 1HB ALA 59 -0.769 -5.090 5.151 451 2HB ALA 59 2HB ALA 59 0.840 -5.362 5.821 452 3HB ALA 59 3HB ALA 59 -0.528 -5.084 6.899 453 H GLU 60 H GLU 60 2.421 -2.145 5.970 454 HA GLU 60 HA GLU 60 2.562 -2.177 8.912 455 1HB GLU 60 1HB GLU 60 4.918 -2.299 8.776 456 2HB GLU 60 2HB GLU 60 4.319 -3.454 7.593 457 1HG GLU 60 1HG GLU 60 4.732 -1.868 5.803 458 2HG GLU 60 2HG GLU 60 5.281 -0.670 6.974 459 H ALA 61 H ALA 61 2.901 -0.223 6.027 460 HA ALA 61 HA ALA 61 3.775 2.127 7.437 461 1HB ALA 61 1HB ALA 61 4.519 2.435 5.348 462 2HB ALA 61 2HB ALA 61 3.305 1.360 4.654 463 3HB ALA 61 3HB ALA 61 2.893 3.035 5.021 464 H VAL 62 H VAL 62 0.736 0.984 6.018 465 HA VAL 62 HA VAL 62 -0.831 3.240 6.349 466 HB VAL 62 HB VAL 62 -2.768 1.657 6.578 467 1HG1 VAL 62 1HG1 VAL 62 -0.760 1.375 4.364 468 2HG1 VAL 62 2HG1 VAL 62 -2.320 0.552 4.313 469 3HG1 VAL 62 3HG1 VAL 62 -2.253 2.313 4.390 470 1HG2 VAL 62 1HG2 VAL 62 -0.537 -0.363 6.571 471 2HG2 VAL 62 2HG2 VAL 62 -1.816 -0.160 7.768 472 3HG2 VAL 62 3HG2 VAL 62 -2.203 -0.767 6.158 473 H VAL 63 H VAL 63 -0.103 0.682 8.691 474 HA VAL 63 HA VAL 63 -1.795 1.471 10.752 475 HB VAL 63 HB VAL 63 0.934 0.190 10.912 476 1HG1 VAL 63 1HG1 VAL 63 -0.795 1.203 13.002 477 2HG1 VAL 63 2HG1 VAL 63 -0.507 -0.530 13.168 478 3HG1 VAL 63 3HG1 VAL 63 0.855 0.589 13.102 479 1HG2 VAL 63 1HG2 VAL 63 -0.088 -1.828 10.713 480 2HG2 VAL 63 2HG2 VAL 63 -1.574 -1.277 11.485 481 3HG2 VAL 63 3HG2 VAL 63 -1.251 -0.865 9.801 482 H LYS 64 H LYS 64 1.558 2.462 10.110 483 HA LYS 64 HA LYS 64 2.010 4.074 12.298 484 1HB LYS 64 1HB LYS 64 2.905 4.771 9.501 485 2HB LYS 64 2HB LYS 64 3.705 5.171 11.015 486 1HG LYS 64 1HG LYS 64 4.088 2.743 11.384 487 2HG LYS 64 2HG LYS 64 3.429 2.443 9.774 488 1HD LYS 64 1HD LYS 64 5.276 3.233 8.728 489 2HD LYS 64 2HD LYS 64 5.568 4.473 9.949 490 1HE LYS 64 1HE LYS 64 5.944 1.955 11.185 491 2HE LYS 64 2HE LYS 64 6.807 1.920 9.648 492 1HZ LYS 64 1HZ LYS 64 8.328 2.779 11.170 493 2HZ LYS 64 2HZ LYS 64 7.183 3.772 11.920 494 3HZ LYS 64 3HZ LYS 64 7.746 4.152 10.371 495 H THR 65 H THR 65 0.764 5.159 9.134 496 HA THR 65 HA THR 65 0.173 7.785 9.982 497 HB THR 65 HB THR 65 -1.519 6.724 7.819 498 HG1 THR 65 1HG THR 65 1.234 6.926 7.244 499 1HG2 THR 65 1HG2 THR 65 -0.249 8.674 6.659 500 2HG2 THR 65 2HG2 THR 65 0.295 9.061 8.291 501 3HG2 THR 65 3HG2 THR 65 -1.428 9.043 7.916 502 H LEU 66 H LEU 66 -1.587 4.789 10.175 503 HA LEU 66 HA LEU 66 -4.018 6.182 11.024 504 1HB LEU 66 1HB LEU 66 -3.402 3.397 10.139 505 2HB LEU 66 2HB LEU 66 -4.843 3.709 11.103 506 HG LEU 66 HG LEU 66 -4.853 5.575 8.983 507 1HD1 LEU 66 1HD1 LEU 66 -3.841 2.894 8.217 508 2HD1 LEU 66 2HD1 LEU 66 -3.528 4.474 7.499 509 3HD1 LEU 66 3HD1 LEU 66 -5.053 3.647 7.179 510 1HD2 LEU 66 1HD2 LEU 66 -6.738 3.757 8.317 511 2HD2 LEU 66 2HD2 LEU 66 -6.948 4.990 9.560 512 3HD2 LEU 66 3HD2 LEU 66 -6.479 3.351 10.013 513 H GLN 67 H GLN 67 -2.017 6.524 12.817 514 HA GLN 67 HA GLN 67 -2.839 4.777 15.039 515 1HB GLN 67 1HB GLN 67 -0.110 5.614 14.177 516 2HB GLN 67 2HB GLN 67 -0.421 5.445 15.900 517 1HG GLN 67 1HG GLN 67 -1.459 3.165 14.537 518 2HG GLN 67 2HG GLN 67 0.209 3.436 14.034 519 1HE2 GLN 67 1HE2 GLN 67 1.630 2.390 15.206 520 2HE2 GLN 67 2HE2 GLN 67 1.490 1.999 16.883 521 HA PRO 68 HA PRO 68 -3.100 9.500 15.819 522 1HB PRO 68 1HB PRO 68 -5.749 9.883 15.364 523 2HB PRO 68 2HB PRO 68 -4.519 10.082 14.109 524 1HG PRO 68 1HG PRO 68 -6.325 7.754 14.640 525 2HG PRO 68 2HG PRO 68 -5.884 8.498 13.092 526 1HD PRO 68 1HD PRO 68 -4.735 6.217 13.991 527 2HD PRO 68 2HD PRO 68 -3.861 7.398 12.995 528 H VAL 69 H VAL 69 -5.740 7.160 16.374 529 HA VAL 69 HA VAL 69 -5.386 7.381 19.237 530 HB VAL 69 HB VAL 69 -7.892 7.843 19.530 531 1HG1 VAL 69 1HG1 VAL 69 -7.381 9.984 20.055 532 2HG1 VAL 69 2HG1 VAL 69 -5.739 9.434 19.715 533 3HG1 VAL 69 3HG1 VAL 69 -6.649 10.310 18.484 534 1HG2 VAL 69 1HG2 VAL 69 -8.567 7.576 17.217 535 2HG2 VAL 69 2HG2 VAL 69 -8.910 9.219 17.759 536 3HG2 VAL 69 3HG2 VAL 69 -7.512 8.904 16.731 537 H SER 70 H SER 70 -4.824 5.135 18.305 538 HA SER 70 HA SER 70 -6.758 3.345 17.420 539 1HB SER 70 1HB SER 70 -5.088 1.752 18.912 540 2HB SER 70 2HB SER 70 -4.783 2.261 17.251 541 HG SER 70 HG SER 70 -2.996 2.858 18.357 542 H ASP 71 H ASP 71 -6.198 4.640 20.574 543 HA ASP 71 HA ASP 71 -7.366 2.685 22.186 544 1HB ASP 71 1HB ASP 71 -7.385 5.691 22.532 545 2HB ASP 71 2HB ASP 71 -7.791 4.527 23.790 546 H LEU 72 H LEU 72 -8.789 4.872 19.941 547 HA LEU 72 HA LEU 72 -11.457 4.613 21.059 548 1HB LEU 72 1HB LEU 72 -10.463 5.952 18.548 549 2HB LEU 72 2HB LEU 72 -12.131 5.991 19.117 550 HG LEU 72 HG LEU 72 -9.795 7.124 20.651 551 1HD1 LEU 72 1HD1 LEU 72 -11.755 8.956 19.471 552 2HD1 LEU 72 2HD1 LEU 72 -10.722 8.131 18.304 553 3HD1 LEU 72 3HD1 LEU 72 -10.001 9.090 19.596 554 1HD2 LEU 72 1HD2 LEU 72 -12.509 8.107 21.128 555 2HD2 LEU 72 2HD2 LEU 72 -11.245 7.656 22.273 556 3HD2 LEU 72 3HD2 LEU 72 -12.270 6.413 21.555 557 H LEU 73 H LEU 73 -9.722 3.633 18.118 558 HA LEU 73 HA LEU 73 -11.758 2.347 16.773 559 1HB LEU 73 1HB LEU 73 -8.964 1.253 16.908 560 2HB LEU 73 2HB LEU 73 -10.101 1.182 15.564 561 HG LEU 73 HG LEU 73 -8.530 3.564 16.529 562 1HD1 LEU 73 1HD1 LEU 73 -7.135 2.438 15.106 563 2HD1 LEU 73 2HD1 LEU 73 -8.006 3.454 13.959 564 3HD1 LEU 73 3HD1 LEU 73 -8.461 1.762 14.159 565 1HD2 LEU 73 1HD2 LEU 73 -11.043 3.420 15.000 566 2HD2 LEU 73 2HD2 LEU 73 -9.783 4.440 14.305 567 3HD2 LEU 73 3HD2 LEU 73 -10.359 4.743 15.945 568 H THR 74 H THR 74 -9.609 1.023 19.268 569 HA THR 74 HA THR 74 -10.459 -1.612 19.254 570 HB THR 74 HB THR 74 -10.010 -0.539 21.953 571 HG1 THR 74 1HG THR 74 -8.052 0.328 21.583 572 1HG2 THR 74 1HG2 THR 74 -7.988 -2.253 21.449 573 2HG2 THR 74 2HG2 THR 74 -9.163 -2.800 20.253 574 3HG2 THR 74 3HG2 THR 74 -9.594 -2.765 21.963 575 H ASN 75 H ASN 75 -12.022 1.222 20.563 576 HA ASN 75 HA ASN 75 -14.035 -0.363 21.942 577 1HB ASN 75 1HB ASN 75 -14.297 1.459 23.218 578 2HB ASN 75 2HB ASN 75 -12.964 2.194 22.333 579 1HD2 ASN 75 1HD2 ASN 75 -13.354 3.952 21.169 580 2HD2 ASN 75 2HD2 ASN 75 -14.921 4.584 20.805 581 H MET 76 H MET 76 -13.552 1.164 18.913 582 HA MET 76 HA MET 76 -16.407 1.248 18.310 583 1HB MET 76 1HB MET 76 -14.003 2.094 16.685 584 2HB MET 76 2HB MET 76 -15.673 2.263 16.162 585 1HG MET 76 1HG MET 76 -16.093 3.715 18.120 586 2HG MET 76 2HG MET 76 -14.379 3.612 18.517 587 1HE MET 76 1HE MET 76 -12.532 4.881 17.430 588 2HE MET 76 2HE MET 76 -12.720 3.920 15.963 589 3HE MET 76 3HE MET 76 -12.613 5.678 15.858 590 H GLY 77 H GLY 77 -14.678 -1.245 18.653 591 1HA GLY 77 2HA GLY 77 -14.732 -3.366 17.766 592 2HA GLY 77 1HA GLY 77 -15.942 -2.788 16.630 593 H ILE 78 H ILE 78 -12.663 -1.544 17.012 594 HA ILE 78 HA ILE 78 -11.858 -2.824 14.511 595 HB ILE 78 HB ILE 78 -11.792 0.159 14.964 596 1HG1 ILE 78 1HG1 ILE 78 -13.023 -1.416 12.699 597 2HG1 ILE 78 2HG1 ILE 78 -13.923 -0.915 14.125 598 1HG2 ILE 78 1HG2 ILE 78 -9.761 -0.162 13.937 599 2HG2 ILE 78 2HG2 ILE 78 -10.309 -1.589 13.058 600 3HG2 ILE 78 3HG2 ILE 78 -10.820 0.017 12.539 601 1HD1 ILE 78 1HD1 ILE 78 -14.347 0.635 12.362 602 2HD1 ILE 78 2HD1 ILE 78 -13.355 1.438 13.580 603 3HD1 ILE 78 3HD1 ILE 78 -12.621 0.864 12.082 604 H ASP 79 H ASP 79 -10.079 -3.887 15.078 605 HA ASP 79 HA ASP 79 -8.317 -2.859 17.140 606 1HB ASP 79 1HB ASP 79 -9.002 -5.422 16.206 607 2HB ASP 79 2HB ASP 79 -7.302 -5.203 15.800 608 H LEU 80 H LEU 80 -6.464 -1.809 16.806 609 HA LEU 80 HA LEU 80 -5.647 -1.274 14.066 610 1HB LEU 80 1HB LEU 80 -5.877 0.452 15.965 611 2HB LEU 80 2HB LEU 80 -4.329 -0.177 16.525 612 HG LEU 80 HG LEU 80 -4.207 1.922 15.160 613 1HD1 LEU 80 1HD1 LEU 80 -2.125 1.319 14.672 614 2HD1 LEU 80 2HD1 LEU 80 -2.670 0.127 13.494 615 3HD1 LEU 80 3HD1 LEU 80 -2.556 -0.308 15.199 616 1HD2 LEU 80 1HD2 LEU 80 -4.862 0.098 12.853 617 2HD2 LEU 80 2HD2 LEU 80 -4.528 1.829 12.795 618 3HD2 LEU 80 3HD2 LEU 80 -6.004 1.240 13.562 619 H ASP 81 H ASP 81 -4.523 -2.964 16.910 620 HA ASP 81 HA ASP 81 -1.856 -3.386 15.985 621 1HB ASP 81 1HB ASP 81 -3.360 -3.938 18.349 622 2HB ASP 81 2HB ASP 81 -2.607 -5.437 17.810 623 H GLU 82 H GLU 82 -4.890 -4.881 15.367 624 HA GLU 82 HA GLU 82 -3.823 -7.411 14.515 625 1HB GLU 82 1HB GLU 82 -6.006 -8.062 14.158 626 2HB GLU 82 2HB GLU 82 -6.226 -6.812 15.374 627 1HG GLU 82 1HG GLU 82 -6.628 -5.209 13.460 628 2HG GLU 82 2HG GLU 82 -6.716 -6.630 12.420 629 H TRP 83 H TRP 83 -4.601 -4.352 13.032 630 HA TRP 83 HA TRP 83 -4.826 -5.009 10.370 631 1HB TRP 83 1HB TRP 83 -3.661 -2.622 11.769 632 2HB TRP 83 2HB TRP 83 -3.609 -2.733 10.012 633 HD1 TRP 83 HD TRP 83 -6.683 -4.131 11.729 634 HE1 TRP 83 1HE TRP 83 -8.692 -2.594 11.249 635 HE3 TRP 83 3HE TRP 83 -4.210 -0.217 9.560 636 HZ2 TRP 83 2HZ TRP 83 -9.165 -0.059 10.102 637 HZ3 TRP 83 3HZ TRP 83 -5.515 1.725 8.798 638 HH2 TRP 83 HH TRP 83 -7.941 1.800 9.064 639 H SER 84 H SER 84 -1.810 -4.279 12.123 640 HA SER 84 HA SER 84 -0.052 -4.719 10.001 641 1HB SER 84 1HB SER 84 0.867 -5.523 12.706 642 2HB SER 84 2HB SER 84 1.613 -4.432 11.539 643 HG SER 84 HG SER 84 -0.260 -3.910 13.526 644 H VAL 85 H VAL 85 -1.320 -6.969 12.425 645 HA VAL 85 HA VAL 85 0.013 -9.197 11.070 646 HB VAL 85 HB VAL 85 0.058 -8.919 13.606 647 1HG1 VAL 85 1HG1 VAL 85 -2.581 -8.549 13.439 648 2HG1 VAL 85 2HG1 VAL 85 -2.562 -10.290 13.728 649 3HG1 VAL 85 3HG1 VAL 85 -1.797 -9.195 14.880 650 1HG2 VAL 85 1HG2 VAL 85 -0.589 -11.469 13.856 651 2HG2 VAL 85 2HG2 VAL 85 -0.635 -11.386 12.095 652 3HG2 VAL 85 3HG2 VAL 85 0.844 -10.967 12.960 653 H ALA 86 H ALA 86 -2.158 -7.875 9.750 654 HA ALA 86 HA ALA 86 -4.317 -9.862 9.917 655 1HB ALA 86 1HB ALA 86 -5.749 -8.198 9.571 656 2HB ALA 86 2HB ALA 86 -4.393 -7.085 9.749 657 3HB ALA 86 3HB ALA 86 -4.866 -7.650 8.147 658 H THR 87 H THR 87 -5.448 -9.799 7.506 659 HA THR 87 HA THR 87 -3.324 -10.788 5.720 660 HB THR 87 HB THR 87 -6.234 -11.528 5.486 661 HG1 THR 87 1HG THR 87 -5.993 -12.997 7.019 662 1HG2 THR 87 1HG2 THR 87 -4.842 -12.019 3.556 663 2HG2 THR 87 2HG2 THR 87 -5.290 -13.519 4.370 664 3HG2 THR 87 3HG2 THR 87 -3.673 -12.849 4.582 665 H PHE 88 H PHE 88 -2.831 -9.089 4.434 666 HA PHE 88 HA PHE 88 -5.018 -7.582 3.192 667 1HB PHE 88 1HB PHE 88 -2.140 -7.016 3.740 668 2HB PHE 88 2HB PHE 88 -2.896 -6.222 2.362 669 HD1 PHE 88 1HD PHE 88 -3.121 -4.005 2.983 670 HD2 PHE 88 2HD PHE 88 -4.318 -7.061 5.693 671 HE1 PHE 88 1HE PHE 88 -4.066 -2.299 4.484 672 HE2 PHE 88 2HE PHE 88 -5.266 -5.361 7.198 673 HZ PHE 88 HZ PHE 88 -5.141 -2.976 6.594 674 H TYR 89 H TYR 89 -5.573 -7.917 1.144 675 HA TYR 89 HA TYR 89 -3.772 -9.529 -0.536 676 1HB TYR 89 1HB TYR 89 -6.775 -9.188 -0.668 677 2HB TYR 89 2HB TYR 89 -5.823 -10.112 -1.825 678 HD1 TYR 89 1HD TYR 89 -4.463 -12.090 -0.923 679 HD2 TYR 89 2HD TYR 89 -7.567 -10.196 1.286 680 HE1 TYR 89 1HE TYR 89 -4.654 -14.083 0.506 681 HE2 TYR 89 2HE TYR 89 -7.766 -12.183 2.722 682 HH TYR 89 HH TYR 89 -5.991 -15.132 2.033 683 H LEU 90 H LEU 90 -3.145 -8.812 -2.511 684 HA LEU 90 HA LEU 90 -3.820 -6.038 -3.165 685 1HB LEU 90 1HB LEU 90 -1.618 -7.804 -4.222 686 2HB LEU 90 2HB LEU 90 -1.851 -6.102 -4.615 687 HG LEU 90 HG LEU 90 -0.125 -6.079 -3.059 688 1HD1 LEU 90 1HD1 LEU 90 -2.291 -4.721 -2.493 689 2HD1 LEU 90 2HD1 LEU 90 -0.943 -4.778 -1.358 690 3HD1 LEU 90 3HD1 LEU 90 -2.355 -5.804 -1.102 691 1HD2 LEU 90 1HD2 LEU 90 0.122 -7.475 -1.208 692 2HD2 LEU 90 2HD2 LEU 90 -0.574 -8.531 -2.438 693 3HD2 LEU 90 3HD2 LEU 90 -1.596 -7.873 -1.158 694 H PHE 91 H PHE 91 -4.492 -5.418 -5.229 695 HA PHE 91 HA PHE 91 -4.987 -7.406 -7.262 696 1HB PHE 91 1HB PHE 91 -7.104 -6.505 -5.446 697 2HB PHE 91 2HB PHE 91 -7.506 -6.300 -7.148 698 HD1 PHE 91 1HD PHE 91 -7.629 -8.242 -8.637 699 HD2 PHE 91 2HD PHE 91 -6.934 -8.669 -4.459 700 HE1 PHE 91 1HE PHE 91 -8.216 -10.627 -8.786 701 HE2 PHE 91 2HE PHE 91 -7.519 -11.054 -4.602 702 HZ PHE 91 HZ PHE 91 -8.160 -12.037 -6.767 703 H ASP 92 H ASP 92 -6.491 -6.220 -9.029 704 HA ASP 92 HA ASP 92 -5.786 -3.402 -9.255 705 1HB ASP 92 1HB ASP 92 -5.024 -3.945 -11.689 706 2HB ASP 92 2HB ASP 92 -3.892 -4.176 -10.359 707 H ASP 93 H ASP 93 -6.563 -2.779 -11.709 708 HA ASP 93 HA ASP 93 -9.401 -3.096 -11.602 709 1HB ASP 93 1HB ASP 93 -9.362 -1.738 -13.709 710 2HB ASP 93 2HB ASP 93 -8.516 -0.992 -12.356 711 H ALA 94 H ALA 94 -7.001 -5.061 -12.775 712 HA ALA 94 HA ALA 94 -8.576 -6.101 -15.010 713 1HB ALA 94 1HB ALA 94 -6.038 -7.420 -14.324 714 2HB ALA 94 2HB ALA 94 -6.657 -6.885 -15.887 715 3HB ALA 94 3HB ALA 94 -5.911 -5.723 -14.790 716 H GLY 95 H GLY 95 -8.660 -6.489 -11.810 717 1HA GLY 95 2HA GLY 95 -9.577 -8.107 -10.458 718 2HA GLY 95 1HA GLY 95 -10.035 -8.966 -11.921 719 H GLU 96 H GLU 96 -6.741 -8.104 -11.040 720 HA GLU 96 HA GLU 96 -6.185 -10.890 -10.329 721 1HB GLU 96 1HB GLU 96 -4.293 -11.027 -11.816 722 2HB GLU 96 2HB GLU 96 -5.718 -10.604 -12.753 723 1HG GLU 96 1HG GLU 96 -5.024 -8.300 -12.854 724 2HG GLU 96 2HG GLU 96 -3.652 -8.635 -11.799 725 H GLU 97 H GLU 97 -4.133 -11.184 -9.230 726 HA GLU 97 HA GLU 97 -3.507 -8.876 -7.567 727 1HB GLU 97 1HB GLU 97 -3.974 -11.073 -6.522 728 2HB GLU 97 2HB GLU 97 -2.564 -11.738 -7.334 729 1HG GLU 97 1HG GLU 97 -1.512 -9.569 -6.057 730 2HG GLU 97 2HG GLU 97 -2.750 -10.106 -4.923 731 H ASN 98 H ASN 98 -2.380 -7.705 -9.240 732 HA ASN 98 HA ASN 98 0.383 -8.662 -9.586 733 1HB ASN 98 1HB ASN 98 -1.435 -7.372 -11.614 734 2HB ASN 98 2HB ASN 98 0.317 -7.352 -11.793 735 1HD2 ASN 98 1HD2 ASN 98 -2.245 -9.677 -10.991 736 2HD2 ASN 98 2HD2 ASN 98 -1.644 -10.943 -12.001 737 H PHE 99 H PHE 99 1.712 -6.633 -10.506 738 HA PHE 99 HA PHE 99 1.148 -4.413 -8.652 739 1HB PHE 99 1HB PHE 99 3.672 -4.008 -8.842 740 2HB PHE 99 2HB PHE 99 3.153 -5.410 -7.913 741 HD1 PHE 99 1HD PHE 99 3.395 -7.672 -8.845 742 HD2 PHE 99 2HD PHE 99 4.916 -4.243 -10.855 743 HE1 PHE 99 1HE PHE 99 4.806 -9.123 -10.244 744 HE2 PHE 99 2HE PHE 99 6.329 -5.688 -12.258 745 HZ PHE 99 HZ PHE 99 6.274 -8.132 -11.954 746 H SER 100 H SER 100 -0.212 -3.975 -10.768 747 HA SER 100 HA SER 100 1.273 -2.808 -12.939 748 1HB SER 100 1HB SER 100 -0.993 -3.949 -13.144 749 2HB SER 100 2HB SER 100 -1.685 -2.502 -12.411 750 HG SER 100 HG SER 100 -0.836 -2.914 -14.959 751 H SER 101 H SER 101 -0.105 -0.543 -13.583 752 HA SER 101 HA SER 101 1.207 1.461 -12.227 753 1HB SER 101 1HB SER 101 -0.467 1.364 -14.396 754 2HB SER 101 2HB SER 101 -1.432 2.277 -13.236 755 HG SER 101 HG SER 101 0.009 3.867 -13.256 756 H ARG 102 H ARG 102 -1.804 -0.109 -11.431 757 HA ARG 102 HA ARG 102 -1.861 1.387 -8.908 758 1HB ARG 102 1HB ARG 102 -3.539 2.465 -10.240 759 2HB ARG 102 2HB ARG 102 -4.198 0.919 -10.759 760 1HG ARG 102 1HG ARG 102 -5.595 0.905 -9.046 761 2HG ARG 102 2HG ARG 102 -4.249 1.034 -7.911 762 1HD ARG 102 1HD ARG 102 -5.945 2.859 -7.723 763 2HD ARG 102 2HD ARG 102 -4.297 3.416 -8.009 764 HE ARG 102 HE ARG 102 -5.626 3.142 -10.472 765 1HH1 ARG 102 2HH1 ARG 102 -5.621 5.143 -7.623 766 2HH1 ARG 102 1HH1 ARG 102 -6.198 6.551 -8.453 767 1HH2 ARG 102 2HH2 ARG 102 -6.385 4.988 -11.575 768 2HH2 ARG 102 1HH2 ARG 102 -6.633 6.461 -10.700 769 H MET 103 H MET 103 -2.203 0.154 -7.150 770 HA MET 103 HA MET 103 -3.178 -2.593 -7.553 771 1HB MET 103 1HB MET 103 -0.621 -2.270 -7.168 772 2HB MET 103 2HB MET 103 -1.083 -1.967 -5.498 773 1HG MET 103 1HG MET 103 -2.059 -4.146 -5.310 774 2HG MET 103 2HG MET 103 -1.815 -4.450 -7.028 775 1HE MET 103 1HE MET 103 -0.017 -3.259 -3.880 776 2HE MET 103 2HE MET 103 1.592 -3.976 -3.979 777 3HE MET 103 3HE MET 103 1.168 -2.613 -5.016 778 H TYR 104 H TYR 104 -5.123 -2.593 -6.614 779 HA TYR 104 HA TYR 104 -5.712 -0.964 -4.316 780 1HB TYR 104 1HB TYR 104 -7.398 -3.104 -5.631 781 2HB TYR 104 2HB TYR 104 -7.961 -1.895 -4.482 782 HD1 TYR 104 1HD TYR 104 -7.258 0.619 -5.263 783 HD2 TYR 104 2HD TYR 104 -7.929 -2.706 -7.831 784 HE1 TYR 104 1HE TYR 104 -7.750 2.158 -7.117 785 HE2 TYR 104 2HE TYR 104 -8.422 -1.176 -9.693 786 HH TYR 104 HH TYR 104 -9.107 1.082 -10.087 787 H CYS 105 H CYS 105 -6.666 -1.870 -2.336 788 HA CYS 105 HA CYS 105 -5.332 -4.386 -1.581 789 1HB CYS 105 1HB CYS 105 -5.487 -3.455 0.777 790 2HB CYS 105 2HB CYS 105 -4.368 -2.633 -0.304 791 HG CYS 105 HG CYS 105 -5.643 -0.737 1.321 792 H SER 106 H SER 106 -6.966 -5.822 -2.013 793 HA SER 106 HA SER 106 -9.653 -5.339 -1.061 794 1HB SER 106 1HB SER 106 -9.463 -8.019 -1.847 795 2HB SER 106 2HB SER 106 -10.070 -6.675 -2.814 796 HG SER 106 HG SER 106 -7.425 -7.692 -2.724 797 H PHE 107 H PHE 107 -10.715 -6.459 0.562 798 HA PHE 107 HA PHE 107 -8.992 -7.476 2.661 799 1HB PHE 107 1HB PHE 107 -10.990 -7.423 4.059 800 2HB PHE 107 2HB PHE 107 -10.815 -5.898 3.196 801 HD1 PHE 107 1HD PHE 107 -12.457 -5.155 1.664 802 HD2 PHE 107 2HD PHE 107 -12.691 -9.067 3.326 803 HE1 PHE 107 1HE PHE 107 -14.744 -5.388 0.787 804 HE2 PHE 107 2HE PHE 107 -14.978 -9.305 2.452 805 HZ PHE 107 HZ PHE 107 -16.007 -7.465 1.180 806 H TYR 108 H TYR 108 -10.418 -8.809 0.023 807 HA TYR 108 HA TYR 108 -10.866 -11.395 1.361 808 1HB TYR 108 1HB TYR 108 -12.320 -11.999 -0.482 809 2HB TYR 108 2HB TYR 108 -12.843 -10.457 0.188 810 HD1 TYR 108 1HD TYR 108 -12.179 -8.331 -1.030 811 HD2 TYR 108 2HD TYR 108 -11.770 -12.197 -2.758 812 HE1 TYR 108 1HE TYR 108 -12.056 -7.312 -3.266 813 HE2 TYR 108 2HE TYR 108 -11.645 -11.190 -4.998 814 HH TYR 108 HH TYR 108 -11.987 -9.285 -6.182 815 HA PRO 109 HA PRO 109 -7.470 -13.180 -0.770 816 1HB PRO 109 1HB PRO 109 -8.365 -15.712 -1.170 817 2HB PRO 109 2HB PRO 109 -7.887 -15.102 0.419 818 1HG PRO 109 1HG PRO 109 -10.626 -15.389 -0.754 819 2HG PRO 109 2HG PRO 109 -10.063 -15.777 0.883 820 1HD PRO 109 1HD PRO 109 -11.411 -13.500 0.308 821 2HD PRO 109 2HD PRO 109 -10.172 -13.582 1.577 822 HA PRO 110 HA PRO 110 -8.001 -13.176 -5.135 823 1HB PRO 110 1HB PRO 110 -6.272 -15.102 -5.954 824 2HB PRO 110 2HB PRO 110 -5.740 -13.538 -5.325 825 1HG PRO 110 1HG PRO 110 -5.913 -16.181 -3.930 826 2HG PRO 110 2HG PRO 110 -4.627 -14.963 -3.863 827 1HD PRO 110 1HD PRO 110 -6.493 -15.219 -1.918 828 2HD PRO 110 2HD PRO 110 -5.770 -13.656 -2.348 829 H ASP 111 H ASP 111 -7.805 -16.537 -3.945 830 HA ASP 111 HA ASP 111 -10.364 -17.299 -4.723 831 1HB ASP 111 1HB ASP 111 -8.499 -17.165 -6.923 832 2HB ASP 111 2HB ASP 111 -9.042 -18.823 -6.681 833 H GLU 112 H GLU 112 -7.013 -18.227 -4.285 834 HA GLU 112 HA GLU 112 -7.512 -20.974 -3.738 835 1HB GLU 112 1HB GLU 112 -5.311 -20.406 -4.406 836 2HB GLU 112 2HB GLU 112 -5.182 -19.148 -3.185 837 1HG GLU 112 1HG GLU 112 -5.072 -20.780 -1.431 838 2HG GLU 112 2HG GLU 112 -5.387 -22.086 -2.572 Start of MODEL 14 1 1H ALA 1 1H ALA 1 14.342 12.055 -5.963 2 HA ALA 1 HA ALA 1 14.873 10.886 -7.874 3 1HB ALA 1 1HB ALA 1 16.265 12.633 -8.383 4 2HB ALA 1 2HB ALA 1 17.312 12.349 -6.992 5 3HB ALA 1 3HB ALA 1 17.413 11.294 -8.401 6 HA PRO 2 HA PRO 2 16.483 7.131 -5.661 7 1HB PRO 2 1HB PRO 2 14.455 5.508 -6.450 8 2HB PRO 2 2HB PRO 2 14.368 6.519 -5.003 9 1HG PRO 2 1HG PRO 2 13.235 7.013 -7.730 10 2HG PRO 2 2HG PRO 2 12.490 7.280 -6.143 11 1HD PRO 2 1HD PRO 2 13.584 9.287 -7.596 12 2HD PRO 2 2HD PRO 2 13.595 9.277 -5.821 13 H ILE 3 H ILE 3 18.007 7.674 -7.582 14 HA ILE 3 HA ILE 3 17.479 6.082 -9.960 15 HB ILE 3 HB ILE 3 19.990 7.637 -9.367 16 1HG1 ILE 3 1HG1 ILE 3 17.500 8.641 -10.762 17 2HG1 ILE 3 2HG1 ILE 3 17.983 9.089 -9.130 18 1HG2 ILE 3 1HG2 ILE 3 19.609 7.799 -12.022 19 2HG2 ILE 3 2HG2 ILE 3 20.528 6.509 -11.247 20 3HG2 ILE 3 3HG2 ILE 3 18.844 6.243 -11.700 21 1HD1 ILE 3 1HD1 ILE 3 20.166 9.884 -10.231 22 2HD1 ILE 3 2HD1 ILE 3 19.246 9.821 -11.735 23 3HD1 ILE 3 3HD1 ILE 3 18.712 10.864 -10.417 24 H LYS 4 H LYS 4 19.116 4.583 -10.777 25 HA LYS 4 HA LYS 4 19.769 2.594 -8.923 26 1HB LYS 4 1HB LYS 4 20.998 1.530 -10.728 27 2HB LYS 4 2HB LYS 4 19.491 2.194 -11.344 28 1HG LYS 4 1HG LYS 4 20.544 3.822 -12.566 29 2HG LYS 4 2HG LYS 4 21.966 3.839 -11.520 30 1HD LYS 4 1HD LYS 4 21.396 1.342 -13.021 31 2HD LYS 4 2HD LYS 4 21.988 2.729 -13.940 32 1HE LYS 4 1HE LYS 4 24.056 2.316 -13.249 33 2HE LYS 4 2HE LYS 4 23.544 2.497 -11.572 34 1HZ LYS 4 1HZ LYS 4 22.805 -0.032 -12.709 35 2HZ LYS 4 2HZ LYS 4 23.603 0.306 -11.256 36 3HZ LYS 4 3HZ LYS 4 24.479 0.215 -12.701 37 H GLY 5 H GLY 5 22.353 1.786 -9.413 38 1HA GLY 5 2HA GLY 5 23.812 3.271 -7.521 39 2HA GLY 5 1HA GLY 5 24.478 2.043 -8.587 40 H VAL 6 H VAL 6 23.943 5.441 -8.098 41 HA VAL 6 HA VAL 6 24.769 7.307 -9.115 42 HB VAL 6 HB VAL 6 27.001 5.377 -9.755 43 1HG1 VAL 6 1HG1 VAL 6 27.361 7.080 -11.294 44 2HG1 VAL 6 2HG1 VAL 6 26.746 8.327 -10.208 45 3HG1 VAL 6 3HG1 VAL 6 28.321 7.592 -9.907 46 1HG2 VAL 6 1HG2 VAL 6 26.484 5.798 -7.353 47 2HG2 VAL 6 2HG2 VAL 6 28.103 6.301 -7.837 48 3HG2 VAL 6 3HG2 VAL 6 26.833 7.505 -7.626 49 H THR 7 H THR 7 23.207 7.598 -10.701 50 HA THR 7 HA THR 7 24.147 7.383 -13.401 51 HB THR 7 HB THR 7 21.654 5.826 -12.688 52 HG1 THR 7 1HG THR 7 24.020 4.694 -13.737 53 1HG2 THR 7 1HG2 THR 7 21.289 6.524 -14.857 54 2HG2 THR 7 2HG2 THR 7 22.154 5.011 -15.129 55 3HG2 THR 7 3HG2 THR 7 23.007 6.549 -15.251 56 H PHE 8 H PHE 8 22.861 8.570 -14.895 57 HA PHE 8 HA PHE 8 20.457 9.883 -14.064 58 1HB PHE 8 1HB PHE 8 21.303 12.172 -14.089 59 2HB PHE 8 2HB PHE 8 22.127 11.233 -12.848 60 HD1 PHE 8 1HD PHE 8 24.428 10.302 -13.393 61 HD2 PHE 8 2HD PHE 8 22.509 13.295 -15.733 62 HE1 PHE 8 1HE PHE 8 26.602 10.942 -14.352 63 HE2 PHE 8 2HE PHE 8 24.679 13.939 -16.696 64 HZ PHE 8 HZ PHE 8 26.729 12.762 -16.006 65 H GLY 9 H GLY 9 19.260 10.239 -15.820 66 1HA GLY 9 2HA GLY 9 18.664 10.320 -18.039 67 2HA GLY 9 1HA GLY 9 20.022 11.425 -18.190 68 H GLU 10 H GLU 10 19.248 7.958 -18.085 69 HA GLU 10 HA GLU 10 21.556 7.478 -19.848 70 1HB GLU 10 1HB GLU 10 20.306 5.917 -17.663 71 2HB GLU 10 2HB GLU 10 20.869 4.996 -19.050 72 1HG GLU 10 1HG GLU 10 22.586 6.942 -17.533 73 2HG GLU 10 2HG GLU 10 22.510 5.216 -17.184 74 H ASP 11 H ASP 11 18.116 7.168 -19.506 75 HA ASP 11 HA ASP 11 17.723 6.810 -22.285 76 1HB ASP 11 1HB ASP 11 18.456 4.468 -21.317 77 2HB ASP 11 2HB ASP 11 16.778 4.402 -20.785 78 H THR 12 H THR 12 16.084 5.699 -19.315 79 HA THR 12 HA THR 12 14.191 7.779 -19.261 80 HB THR 12 HB THR 12 13.403 6.631 -21.343 81 HG1 THR 12 1HG THR 12 11.218 6.668 -20.663 82 1HG2 THR 12 1HG2 THR 12 13.120 4.422 -21.420 83 2HG2 THR 12 2HG2 THR 12 12.016 4.479 -20.045 84 3HG2 THR 12 3HG2 THR 12 13.752 4.319 -19.778 85 H VAL 13 H VAL 13 12.130 6.947 -17.952 86 HA VAL 13 HA VAL 13 13.223 5.742 -15.555 87 HB VAL 13 HB VAL 13 10.342 6.499 -15.822 88 1HG1 VAL 13 1HG1 VAL 13 10.923 5.571 -13.729 89 2HG1 VAL 13 2HG1 VAL 13 12.395 6.539 -13.623 90 3HG1 VAL 13 3HG1 VAL 13 10.816 7.312 -13.473 91 1HG2 VAL 13 1HG2 VAL 13 11.241 8.415 -16.801 92 2HG2 VAL 13 2HG2 VAL 13 11.126 8.841 -15.093 93 3HG2 VAL 13 3HG2 VAL 13 12.681 8.376 -15.784 94 H TRP 14 H TRP 14 11.962 4.079 -14.375 95 HA TRP 14 HA TRP 14 11.092 1.984 -14.220 96 1HB TRP 14 1HB TRP 14 9.549 2.984 -16.614 97 2HB TRP 14 2HB TRP 14 9.263 1.405 -15.886 98 HD1 TRP 14 HD TRP 14 9.289 5.120 -14.741 99 HE1 TRP 14 1HE TRP 14 7.435 5.412 -12.980 100 HE3 TRP 14 3HE TRP 14 7.666 0.280 -14.460 101 HZ2 TRP 14 2HZ TRP 14 5.536 3.804 -11.647 102 HZ3 TRP 14 3HZ TRP 14 5.827 -0.259 -12.917 103 HH2 TRP 14 HH TRP 14 4.786 1.467 -11.540 104 H GLU 15 H GLU 15 13.420 2.698 -16.098 105 HA GLU 15 HA GLU 15 13.642 0.016 -17.239 106 1HB GLU 15 1HB GLU 15 13.774 2.588 -18.768 107 2HB GLU 15 2HB GLU 15 14.761 1.226 -19.278 108 1HG GLU 15 1HG GLU 15 12.525 -0.093 -19.170 109 2HG GLU 15 2HG GLU 15 11.793 1.508 -19.260 110 H VAL 16 H VAL 16 15.178 3.059 -16.360 111 HA VAL 16 HA VAL 16 17.703 1.591 -15.957 112 HB VAL 16 HB VAL 16 17.672 4.550 -16.407 113 1HG1 VAL 16 1HG1 VAL 16 19.631 2.406 -16.213 114 2HG1 VAL 16 2HG1 VAL 16 19.871 3.433 -17.628 115 3HG1 VAL 16 3HG1 VAL 16 19.833 4.147 -16.016 116 1HG2 VAL 16 1HG2 VAL 16 16.426 3.715 -18.290 117 2HG2 VAL 16 2HG2 VAL 16 18.054 4.133 -18.823 118 3HG2 VAL 16 3HG2 VAL 16 17.617 2.444 -18.566 119 H GLN 17 H GLN 17 15.488 4.033 -14.750 120 HA GLN 17 HA GLN 17 16.864 5.021 -12.580 121 1HB GLN 17 1HB GLN 17 14.840 6.071 -12.887 122 2HB GLN 17 2HB GLN 17 13.977 4.564 -13.163 123 1HG GLN 17 1HG GLN 17 13.869 4.085 -10.860 124 2HG GLN 17 2HG GLN 17 15.053 5.332 -10.470 125 1HE2 GLN 17 1HE2 GLN 17 11.757 4.687 -11.377 126 2HE2 GLN 17 2HE2 GLN 17 11.128 6.243 -10.971 127 H GLY 18 H GLY 18 15.008 2.012 -12.813 128 1HA GLY 18 2HA GLY 18 15.362 0.043 -11.625 129 2HA GLY 18 1HA GLY 18 16.566 0.877 -10.654 130 H TYR 19 H TYR 19 13.247 1.941 -11.159 131 HA TYR 19 HA TYR 19 12.379 0.960 -8.586 132 1HB TYR 19 1HB TYR 19 13.175 3.790 -9.017 133 2HB TYR 19 2HB TYR 19 11.699 3.507 -8.100 134 HD1 TYR 19 1HD TYR 19 11.802 2.164 -5.994 135 HD2 TYR 19 2HD TYR 19 15.311 3.407 -8.056 136 HE1 TYR 19 1HE TYR 19 13.135 1.737 -3.972 137 HE2 TYR 19 2HE TYR 19 16.653 2.982 -6.039 138 HH TYR 19 HH TYR 19 16.540 1.654 -3.998 139 H LYS 20 H LYS 20 10.117 2.058 -8.101 140 HA LYS 20 HA LYS 20 8.630 2.568 -10.558 141 1HB LYS 20 1HB LYS 20 8.173 0.221 -8.730 142 2HB LYS 20 2HB LYS 20 6.872 0.881 -9.711 143 1HG LYS 20 1HG LYS 20 7.643 -0.783 -11.074 144 2HG LYS 20 2HG LYS 20 8.591 0.587 -11.660 145 1HD LYS 20 1HD LYS 20 10.502 -0.401 -11.079 146 2HD LYS 20 2HD LYS 20 9.910 -0.713 -9.445 147 1HE LYS 20 1HE LYS 20 10.044 -2.871 -10.047 148 2HE LYS 20 2HE LYS 20 8.522 -2.558 -10.878 149 1HZ LYS 20 1HZ LYS 20 9.537 -2.485 -12.910 150 2HZ LYS 20 2HZ LYS 20 10.514 -3.628 -12.136 151 3HZ LYS 20 3HZ LYS 20 11.042 -2.028 -12.286 152 H ASN 21 H ASN 21 6.118 2.670 -9.749 153 HA ASN 21 HA ASN 21 5.966 4.098 -7.209 154 1HB ASN 21 1HB ASN 21 4.934 5.347 -9.761 155 2HB ASN 21 2HB ASN 21 4.955 6.066 -8.153 156 1HD2 ASN 21 1HD2 ASN 21 6.948 5.003 -10.832 157 2HD2 ASN 21 2HD2 ASN 21 8.310 5.997 -10.458 158 H VAL 22 H VAL 22 4.460 2.924 -6.207 159 HA VAL 22 HA VAL 22 1.918 2.453 -7.618 160 HB VAL 22 HB VAL 22 3.074 0.324 -7.479 161 1HG1 VAL 22 1HG1 VAL 22 3.255 0.918 -4.530 162 2HG1 VAL 22 2HG1 VAL 22 3.575 -0.664 -5.243 163 3HG1 VAL 22 3HG1 VAL 22 4.588 0.716 -5.667 164 1HG2 VAL 22 1HG2 VAL 22 1.228 -0.831 -6.894 165 2HG2 VAL 22 2HG2 VAL 22 1.127 -0.072 -5.305 166 3HG2 VAL 22 3HG2 VAL 22 0.517 0.774 -6.727 167 H ARG 23 H ARG 23 0.063 2.784 -6.461 168 HA ARG 23 HA ARG 23 0.372 3.638 -3.659 169 1HB ARG 23 1HB ARG 23 0.081 5.616 -5.051 170 2HB ARG 23 2HB ARG 23 -1.356 4.917 -5.784 171 1HG ARG 23 1HG ARG 23 -2.666 5.552 -4.093 172 2HG ARG 23 2HG ARG 23 -1.488 5.061 -2.874 173 1HD ARG 23 1HD ARG 23 -0.522 7.117 -2.783 174 2HD ARG 23 2HD ARG 23 -0.840 7.460 -4.483 175 HE ARG 23 HE ARG 23 -3.202 7.400 -2.842 176 1HH1 ARG 23 2HH1 ARG 23 -0.584 9.360 -4.035 177 2HH1 ARG 23 1HH1 ARG 23 -1.438 10.854 -3.834 178 1HH2 ARG 23 2HH2 ARG 23 -4.337 9.360 -2.572 179 2HH2 ARG 23 1HH2 ARG 23 -3.572 10.853 -3.000 180 H ILE 24 H ILE 24 -1.373 3.214 -2.274 181 HA ILE 24 HA ILE 24 -3.193 1.129 -3.267 182 HB ILE 24 HB ILE 24 -2.277 1.741 -0.456 183 1HG1 ILE 24 1HG1 ILE 24 -0.660 0.570 -1.964 184 2HG1 ILE 24 2HG1 ILE 24 -1.145 -0.386 -0.567 185 1HG2 ILE 24 1HG2 ILE 24 -3.583 -0.711 -0.464 186 2HG2 ILE 24 2HG2 ILE 24 -4.170 0.798 0.232 187 3HG2 ILE 24 3HG2 ILE 24 -4.623 0.352 -1.412 188 1HD1 ILE 24 1HD1 ILE 24 -1.024 -1.664 -2.684 189 2HD1 ILE 24 2HD1 ILE 24 -2.608 -1.714 -1.911 190 3HD1 ILE 24 3HD1 ILE 24 -2.342 -0.674 -3.310 191 H THR 25 H THR 25 -5.300 1.526 -3.406 192 HA THR 25 HA THR 25 -6.659 3.293 -1.596 193 HB THR 25 HB THR 25 -6.461 4.101 -4.504 194 HG1 THR 25 1HG THR 25 -5.486 5.267 -2.096 195 1HG2 THR 25 1HG2 THR 25 -8.640 4.660 -3.922 196 2HG2 THR 25 2HG2 THR 25 -7.753 6.131 -3.525 197 3HG2 THR 25 3HG2 THR 25 -8.211 5.005 -2.248 198 H PHE 26 H PHE 26 -7.747 1.259 -1.284 199 HA PHE 26 HA PHE 26 -9.712 0.684 -3.403 200 1HB PHE 26 1HB PHE 26 -8.101 -1.162 -3.115 201 2HB PHE 26 2HB PHE 26 -8.536 -1.267 -1.412 202 HD1 PHE 26 1HD PHE 26 -10.048 -2.876 -0.805 203 HD2 PHE 26 2HD PHE 26 -10.192 -1.302 -4.757 204 HE1 PHE 26 1HE PHE 26 -11.853 -4.453 -1.363 205 HE2 PHE 26 2HE PHE 26 -11.997 -2.876 -5.321 206 HZ PHE 26 HZ PHE 26 -12.830 -4.454 -3.624 207 H GLU 27 H GLU 27 -9.430 -0.362 -0.021 208 HA GLU 27 HA GLU 27 -11.404 1.331 1.032 209 1HB GLU 27 1HB GLU 27 -13.365 0.075 1.028 210 2HB GLU 27 2HB GLU 27 -12.737 -0.172 -0.595 211 1HG GLU 27 1HG GLU 27 -11.626 -2.279 0.448 212 2HG GLU 27 2HG GLU 27 -12.850 -2.071 1.700 213 H LEU 28 H LEU 28 -11.425 1.200 3.218 214 HA LEU 28 HA LEU 28 -10.693 -1.218 4.602 215 1HB LEU 28 1HB LEU 28 -8.666 0.601 3.890 216 2HB LEU 28 2HB LEU 28 -8.948 0.817 5.616 217 HG LEU 28 HG LEU 28 -8.707 -1.771 5.713 218 1HD1 LEU 28 1HD1 LEU 28 -8.024 -1.175 2.948 219 2HD1 LEU 28 2HD1 LEU 28 -8.400 -2.716 3.718 220 3HD1 LEU 28 3HD1 LEU 28 -6.762 -2.068 3.797 221 1HD2 LEU 28 1HD2 LEU 28 -6.043 -0.809 5.175 222 2HD2 LEU 28 2HD2 LEU 28 -6.786 -1.264 6.708 223 3HD2 LEU 28 3HD2 LEU 28 -6.972 0.378 6.091 224 H ASP 29 H ASP 29 -10.805 2.316 5.077 225 HA ASP 29 HA ASP 29 -12.663 1.853 7.316 226 1HB ASP 29 1HB ASP 29 -10.110 2.818 7.606 227 2HB ASP 29 2HB ASP 29 -11.051 4.302 7.491 228 H GLU 30 H GLU 30 -13.828 3.982 7.895 229 HA GLU 30 HA GLU 30 -14.662 5.276 5.383 230 1HB GLU 30 1HB GLU 30 -16.868 5.615 6.498 231 2HB GLU 30 2HB GLU 30 -16.457 3.926 6.234 232 1HG GLU 30 1HG GLU 30 -16.480 3.461 8.412 233 2HG GLU 30 2HG GLU 30 -15.591 4.925 8.828 234 H ARG 31 H ARG 31 -13.685 5.725 8.688 235 HA ARG 31 HA ARG 31 -14.085 8.623 8.474 236 1HB ARG 31 1HB ARG 31 -14.421 6.799 10.593 237 2HB ARG 31 2HB ARG 31 -13.020 7.776 11.013 238 1HG ARG 31 1HG ARG 31 -15.018 8.762 11.927 239 2HG ARG 31 2HG ARG 31 -14.358 9.809 10.669 240 1HD ARG 31 1HD ARG 31 -16.008 9.087 9.103 241 2HD ARG 31 2HD ARG 31 -16.563 7.814 10.190 242 HE ARG 31 HE ARG 31 -16.977 10.062 11.627 243 1HH1 ARG 31 2HH1 ARG 31 -17.853 9.109 8.396 244 2HH1 ARG 31 1HH1 ARG 31 -19.302 10.059 8.368 245 1HH2 ARG 31 2HH2 ARG 31 -18.882 11.316 11.604 246 2HH2 ARG 31 1HH2 ARG 31 -19.886 11.314 10.194 247 H VAL 32 H VAL 32 -11.604 6.185 9.107 248 HA VAL 32 HA VAL 32 -9.548 8.272 8.801 249 HB VAL 32 HB VAL 32 -7.997 6.699 9.906 250 1HG1 VAL 32 1HG1 VAL 32 -8.918 8.306 11.343 251 2HG1 VAL 32 2HG1 VAL 32 -10.501 7.526 11.342 252 3HG1 VAL 32 3HG1 VAL 32 -9.146 6.774 12.185 253 1HG2 VAL 32 1HG2 VAL 32 -10.368 5.019 10.648 254 2HG2 VAL 32 2HG2 VAL 32 -9.418 4.676 9.201 255 3HG2 VAL 32 3HG2 VAL 32 -8.651 4.639 10.789 256 H ASP 33 H ASP 33 -10.823 7.219 6.529 257 HA ASP 33 HA ASP 33 -9.116 5.178 5.396 258 1HB ASP 33 1HB ASP 33 -11.693 5.762 4.953 259 2HB ASP 33 2HB ASP 33 -10.972 6.737 3.674 260 H LYS 34 H LYS 34 -9.737 8.631 4.869 261 HA LYS 34 HA LYS 34 -7.829 8.923 2.785 262 1HB LYS 34 1HB LYS 34 -8.466 11.114 2.725 263 2HB LYS 34 2HB LYS 34 -9.837 10.465 3.616 264 1HG LYS 34 1HG LYS 34 -7.410 11.679 4.916 265 2HG LYS 34 2HG LYS 34 -8.893 12.566 4.554 266 1HD LYS 34 1HD LYS 34 -9.133 10.028 6.079 267 2HD LYS 34 2HD LYS 34 -8.466 11.430 6.918 268 1HE LYS 34 1HE LYS 34 -10.953 11.790 5.327 269 2HE LYS 34 2HE LYS 34 -11.066 10.939 6.867 270 1HZ LYS 34 1HZ LYS 34 -11.041 13.660 6.487 271 2HZ LYS 34 2HZ LYS 34 -9.510 13.305 7.112 272 3HZ LYS 34 3HZ LYS 34 -10.898 12.844 7.962 273 H VAL 35 H VAL 35 -7.612 8.857 6.229 274 HA VAL 35 HA VAL 35 -5.225 10.312 6.586 275 HB VAL 35 HB VAL 35 -6.259 8.008 8.245 276 1HG1 VAL 35 1HG1 VAL 35 -4.247 10.173 8.831 277 2HG1 VAL 35 2HG1 VAL 35 -4.959 9.127 10.060 278 3HG1 VAL 35 3HG1 VAL 35 -3.966 8.434 8.778 279 1HG2 VAL 35 1HG2 VAL 35 -6.963 10.095 9.688 280 2HG2 VAL 35 2HG2 VAL 35 -6.964 10.899 8.118 281 3HG2 VAL 35 3HG2 VAL 35 -7.997 9.496 8.391 282 H LEU 36 H LEU 36 -5.825 7.243 5.213 283 HA LEU 36 HA LEU 36 -2.952 6.597 5.341 284 1HB LEU 36 1HB LEU 36 -3.422 4.325 5.421 285 2HB LEU 36 2HB LEU 36 -4.624 5.039 6.494 286 HG LEU 36 HG LEU 36 -5.977 4.955 4.125 287 1HD1 LEU 36 1HD1 LEU 36 -3.752 3.328 3.699 288 2HD1 LEU 36 2HD1 LEU 36 -5.224 3.402 2.731 289 3HD1 LEU 36 3HD1 LEU 36 -5.084 2.221 4.033 290 1HD2 LEU 36 1HD2 LEU 36 -6.824 2.688 5.168 291 2HD2 LEU 36 2HD2 LEU 36 -7.149 4.235 5.951 292 3HD2 LEU 36 3HD2 LEU 36 -5.834 3.211 6.531 293 H ASN 37 H ASN 37 -5.028 7.980 3.377 294 HA ASN 37 HA ASN 37 -4.016 6.617 0.967 295 1HB ASN 37 1HB ASN 37 -6.681 7.775 1.621 296 2HB ASN 37 2HB ASN 37 -6.107 7.941 -0.036 297 1HD2 ASN 37 1HD2 ASN 37 -8.202 6.265 1.471 298 2HD2 ASN 37 2HD2 ASN 37 -7.970 4.679 0.827 299 H GLU 38 H GLU 38 -4.215 9.547 2.740 300 HA GLU 38 HA GLU 38 -2.997 11.012 0.491 301 1HB GLU 38 1HB GLU 38 -3.988 13.003 1.221 302 2HB GLU 38 2HB GLU 38 -5.257 11.803 1.420 303 1HG GLU 38 1HG GLU 38 -4.296 11.634 3.848 304 2HG GLU 38 2HG GLU 38 -3.666 13.240 3.482 305 H LYS 39 H LYS 39 -2.819 10.230 3.899 306 HA LYS 39 HA LYS 39 -0.658 11.942 4.552 307 1HB LYS 39 1HB LYS 39 -2.328 10.568 6.065 308 2HB LYS 39 2HB LYS 39 -1.071 9.342 5.970 309 1HG LYS 39 1HG LYS 39 0.182 10.399 7.463 310 2HG LYS 39 2HG LYS 39 0.043 11.930 6.596 311 1HD LYS 39 1HD LYS 39 -2.174 10.865 8.324 312 2HD LYS 39 2HD LYS 39 -0.865 11.850 8.980 313 1HE LYS 39 1HE LYS 39 -2.439 12.771 6.604 314 2HE LYS 39 2HE LYS 39 -3.056 13.006 8.239 315 1HZ LYS 39 1HZ LYS 39 -1.710 14.882 7.236 316 2HZ LYS 39 2HZ LYS 39 -0.350 13.900 7.447 317 3HZ LYS 39 3HZ LYS 39 -1.262 14.379 8.788 318 H CYS 40 H CYS 40 -0.859 8.684 3.261 319 HA CYS 40 HA CYS 40 1.629 8.716 2.042 320 1HB CYS 40 1HB CYS 40 1.796 8.205 4.869 321 2HB CYS 40 2HB CYS 40 2.311 6.778 3.978 322 HG CYS 40 HG CYS 40 3.738 9.850 4.095 323 H SER 41 H SER 41 0.283 7.750 0.483 324 HA SER 41 HA SER 41 -0.354 4.920 1.010 325 1HB SER 41 1HB SER 41 -2.131 6.923 0.298 326 2HB SER 41 2HB SER 41 -1.791 6.119 -1.235 327 HG SER 41 HG SER 41 -2.237 4.113 -0.023 328 H VAL 42 H VAL 42 1.375 7.150 -0.905 329 HA VAL 42 HA VAL 42 1.907 5.117 -2.963 330 HB VAL 42 HB VAL 42 1.229 7.094 -4.039 331 1HG1 VAL 42 1HG1 VAL 42 1.207 8.774 -2.460 332 2HG1 VAL 42 2HG1 VAL 42 2.872 8.470 -1.959 333 3HG1 VAL 42 3HG1 VAL 42 2.544 9.277 -3.494 334 1HG2 VAL 42 1HG2 VAL 42 3.299 6.065 -4.941 335 2HG2 VAL 42 2HG2 VAL 42 3.164 7.787 -5.295 336 3HG2 VAL 42 3HG2 VAL 42 4.241 7.232 -4.014 337 H TYR 43 H TYR 43 3.967 4.421 -3.389 338 HA TYR 43 HA TYR 43 6.224 5.595 -1.992 339 1HB TYR 43 1HB TYR 43 6.733 3.014 -1.359 340 2HB TYR 43 2HB TYR 43 5.969 4.156 -0.259 341 HD1 TYR 43 1HD TYR 43 5.561 1.121 -2.170 342 HD2 TYR 43 2HD TYR 43 3.472 4.150 -0.033 343 HE1 TYR 43 1HE TYR 43 3.593 -0.346 -2.025 344 HE2 TYR 43 2HE TYR 43 1.499 2.690 0.119 345 HH TYR 43 HH TYR 43 0.722 0.606 -0.196 346 H THR 44 H THR 44 8.286 4.390 -2.574 347 HA THR 44 HA THR 44 8.179 3.763 -5.432 348 HB THR 44 HB THR 44 10.842 3.927 -4.239 349 HG1 THR 44 1HG THR 44 10.324 5.571 -2.981 350 1HG2 THR 44 1HG2 THR 44 9.509 5.529 -6.424 351 2HG2 THR 44 2HG2 THR 44 10.338 3.991 -6.663 352 3HG2 THR 44 3HG2 THR 44 11.240 5.404 -6.116 353 H VAL 45 H VAL 45 8.738 1.823 -6.254 354 HA VAL 45 HA VAL 45 9.571 -0.257 -4.340 355 HB VAL 45 HB VAL 45 8.004 -0.565 -6.905 356 1HG1 VAL 45 1HG1 VAL 45 7.801 -2.925 -6.264 357 2HG1 VAL 45 2HG1 VAL 45 9.481 -2.465 -6.543 358 3HG1 VAL 45 3HG1 VAL 45 8.876 -2.640 -4.896 359 1HG2 VAL 45 1HG2 VAL 45 6.104 -0.941 -5.618 360 2HG2 VAL 45 2HG2 VAL 45 7.036 -1.247 -4.152 361 3HG2 VAL 45 3HG2 VAL 45 6.895 0.395 -4.780 362 H GLU 46 H GLU 46 11.559 -1.015 -4.585 363 HA GLU 46 HA GLU 46 13.300 -0.231 -6.631 364 1HB GLU 46 1HB GLU 46 13.431 -1.820 -4.257 365 2HB GLU 46 2HB GLU 46 14.221 -2.695 -5.561 366 1HG GLU 46 1HG GLU 46 15.198 -0.148 -5.857 367 2HG GLU 46 2HG GLU 46 15.079 -0.328 -4.107 368 H SER 47 H SER 47 14.639 -2.288 -7.661 369 HA SER 47 HA SER 47 12.764 -3.346 -9.606 370 1HB SER 47 1HB SER 47 14.996 -2.333 -10.231 371 2HB SER 47 2HB SER 47 15.759 -3.755 -9.520 372 HG SER 47 HG SER 47 14.127 -3.566 -11.806 373 H GLY 48 H GLY 48 13.720 -4.330 -6.648 374 1HA GLY 48 2HA GLY 48 13.419 -7.175 -7.382 375 2HA GLY 48 1HA GLY 48 14.583 -6.657 -6.172 376 H THR 49 H THR 49 11.109 -6.365 -6.905 377 HA THR 49 HA THR 49 10.553 -6.991 -4.090 378 HB THR 49 HB THR 49 8.792 -4.991 -5.426 379 HG1 THR 49 1HG THR 49 11.206 -4.244 -4.113 380 1HG2 THR 49 1HG2 THR 49 8.828 -4.115 -3.025 381 2HG2 THR 49 2HG2 THR 49 9.685 -5.602 -2.619 382 3HG2 THR 49 3HG2 THR 49 8.059 -5.678 -3.296 383 H GLU 50 H GLU 50 8.886 -8.364 -3.770 384 HA GLU 50 HA GLU 50 7.506 -9.346 -6.162 385 1HB GLU 50 1HB GLU 50 7.453 -10.645 -3.449 386 2HB GLU 50 2HB GLU 50 7.145 -11.378 -5.017 387 1HG GLU 50 1HG GLU 50 9.238 -12.092 -4.984 388 2HG GLU 50 2HG GLU 50 9.735 -10.417 -5.212 389 H VAL 51 H VAL 51 5.213 -10.165 -5.720 390 HA VAL 51 HA VAL 51 3.611 -7.952 -4.966 391 HB VAL 51 HB VAL 51 2.603 -10.774 -5.264 392 1HG1 VAL 51 1HG1 VAL 51 0.702 -9.380 -6.357 393 2HG1 VAL 51 2HG1 VAL 51 0.830 -9.446 -4.598 394 3HG1 VAL 51 3HG1 VAL 51 1.423 -8.035 -5.474 395 1HG2 VAL 51 1HG2 VAL 51 3.393 -8.816 -7.410 396 2HG2 VAL 51 2HG2 VAL 51 3.978 -10.463 -7.176 397 3HG2 VAL 51 3HG2 VAL 51 2.317 -10.184 -7.696 398 H THR 52 H THR 52 5.063 -10.409 -3.152 399 HA THR 52 HA THR 52 3.082 -10.323 -1.013 400 HB THR 52 HB THR 52 3.969 -12.510 -1.449 401 HG1 THR 52 1HG THR 52 3.886 -12.693 0.654 402 1HG2 THR 52 1HG2 THR 52 6.403 -12.980 -1.134 403 2HG2 THR 52 2HG2 THR 52 6.680 -11.239 -1.067 404 3HG2 THR 52 3HG2 THR 52 6.043 -11.975 -2.537 405 H GLU 53 H GLU 53 6.227 -9.071 -1.820 406 HA GLU 53 HA GLU 53 7.141 -8.371 0.733 407 1HB GLU 53 1HB GLU 53 8.213 -8.215 -1.718 408 2HB GLU 53 2HB GLU 53 7.731 -6.535 -1.527 409 1HG GLU 53 1HG GLU 53 9.185 -6.172 0.221 410 2HG GLU 53 2HG GLU 53 9.275 -7.882 0.639 411 H PHE 54 H PHE 54 4.914 -6.772 -1.457 412 HA PHE 54 HA PHE 54 4.807 -4.297 -0.073 413 1HB PHE 54 1HB PHE 54 2.570 -5.429 -1.743 414 2HB PHE 54 2HB PHE 54 3.004 -3.740 -1.500 415 HD1 PHE 54 1HD PHE 54 2.945 -6.163 -3.871 416 HD2 PHE 54 2HD PHE 54 5.677 -3.395 -2.143 417 HE1 PHE 54 1HE PHE 54 4.300 -6.223 -5.925 418 HE2 PHE 54 2HE PHE 54 7.035 -3.449 -4.193 419 HZ PHE 54 HZ PHE 54 6.347 -4.864 -6.088 420 H ALA 55 H ALA 55 3.257 -7.369 0.368 421 HA ALA 55 HA ALA 55 1.067 -6.503 1.942 422 1HB ALA 55 1HB ALA 55 2.121 -8.982 1.009 423 2HB ALA 55 2HB ALA 55 1.797 -9.112 2.738 424 3HB ALA 55 3HB ALA 55 0.510 -8.627 1.634 425 H CYS 56 H CYS 56 4.370 -6.544 2.571 426 HA CYS 56 HA CYS 56 3.953 -6.702 5.477 427 1HB CYS 56 1HB CYS 56 5.781 -8.043 4.038 428 2HB CYS 56 2HB CYS 56 6.700 -6.577 4.358 429 HG CYS 56 HG CYS 56 6.781 -6.818 7.056 430 H VAL 57 H VAL 57 4.580 -4.553 2.915 431 HA VAL 57 HA VAL 57 5.677 -2.506 4.707 432 HB VAL 57 HB VAL 57 6.706 -3.010 2.415 433 1HG1 VAL 57 1HG1 VAL 57 4.836 -1.124 1.168 434 2HG1 VAL 57 2HG1 VAL 57 5.606 -2.568 0.506 435 3HG1 VAL 57 3HG1 VAL 57 4.162 -2.718 1.509 436 1HG2 VAL 57 1HG2 VAL 57 6.846 -0.434 1.953 437 2HG2 VAL 57 2HG2 VAL 57 5.994 -0.321 3.492 438 3HG2 VAL 57 3HG2 VAL 57 7.563 -1.122 3.410 439 H VAL 58 H VAL 58 2.776 -3.475 3.194 440 HA VAL 58 HA VAL 58 1.575 -0.827 3.267 441 HB VAL 58 HB VAL 58 0.415 -3.510 2.506 442 1HG1 VAL 58 1HG1 VAL 58 -1.288 -1.705 1.454 443 2HG1 VAL 58 2HG1 VAL 58 -1.532 -2.489 3.016 444 3HG1 VAL 58 3HG1 VAL 58 -0.828 -0.873 2.939 445 1HG2 VAL 58 1HG2 VAL 58 2.136 -1.866 1.104 446 2HG2 VAL 58 2HG2 VAL 58 1.098 -3.116 0.417 447 3HG2 VAL 58 3HG2 VAL 58 0.546 -1.442 0.470 448 H ALA 59 H ALA 59 1.756 -3.686 5.202 449 HA ALA 59 HA ALA 59 -0.531 -2.955 6.839 450 1HB ALA 59 1HB ALA 59 -0.576 -5.110 7.370 451 2HB ALA 59 2HB ALA 59 0.768 -5.359 6.255 452 3HB ALA 59 3HB ALA 59 1.084 -5.054 7.963 453 H GLU 60 H GLU 60 2.829 -2.373 6.743 454 HA GLU 60 HA GLU 60 2.920 -1.681 9.592 455 1HB GLU 60 1HB GLU 60 5.282 -1.719 9.439 456 2HB GLU 60 2HB GLU 60 4.721 -3.118 8.535 457 1HG GLU 60 1HG GLU 60 4.970 -1.805 6.447 458 2HG GLU 60 2HG GLU 60 5.670 -0.498 7.402 459 H ALA 61 H ALA 61 2.073 -0.241 6.802 460 HA ALA 61 HA ALA 61 3.125 2.383 7.641 461 1HB ALA 61 1HB ALA 61 3.765 1.322 5.328 462 2HB ALA 61 2HB ALA 61 2.178 1.928 4.854 463 3HB ALA 61 3HB ALA 61 3.401 3.042 5.463 464 H VAL 62 H VAL 62 0.444 0.547 7.742 465 HA VAL 62 HA VAL 62 -1.390 2.803 7.277 466 HB VAL 62 HB VAL 62 -3.194 1.072 7.255 467 1HG1 VAL 62 1HG1 VAL 62 -1.000 1.186 5.243 468 2HG1 VAL 62 2HG1 VAL 62 -2.305 0.018 5.020 469 3HG1 VAL 62 3HG1 VAL 62 -2.670 1.741 5.124 470 1HG2 VAL 62 1HG2 VAL 62 -0.839 -0.808 7.323 471 2HG2 VAL 62 2HG2 VAL 62 -2.150 -0.693 8.498 472 3HG2 VAL 62 3HG2 VAL 62 -2.476 -1.284 6.868 473 H VAL 63 H VAL 63 -0.511 0.254 9.559 474 HA VAL 63 HA VAL 63 -2.442 0.917 11.526 475 HB VAL 63 HB VAL 63 0.202 -0.512 11.835 476 1HG1 VAL 63 1HG1 VAL 63 -1.709 -1.317 13.767 477 2HG1 VAL 63 2HG1 VAL 63 -0.156 -0.520 14.025 478 3HG1 VAL 63 3HG1 VAL 63 -1.617 0.443 13.800 479 1HG2 VAL 63 1HG2 VAL 63 -1.617 -1.455 10.279 480 2HG2 VAL 63 2HG2 VAL 63 -0.933 -2.524 11.503 481 3HG2 VAL 63 3HG2 VAL 63 -2.513 -1.785 11.762 482 H LYS 64 H LYS 64 1.095 1.334 11.721 483 HA LYS 64 HA LYS 64 1.141 3.051 13.883 484 1HB LYS 64 1HB LYS 64 3.332 3.894 12.818 485 2HB LYS 64 2HB LYS 64 3.215 2.190 13.236 486 1HG LYS 64 1HG LYS 64 3.538 1.567 11.132 487 2HG LYS 64 2HG LYS 64 2.300 2.677 10.539 488 1HD LYS 64 1HD LYS 64 4.344 3.327 9.522 489 2HD LYS 64 2HD LYS 64 4.002 4.521 10.775 490 1HE LYS 64 1HE LYS 64 5.463 2.848 12.229 491 2HE LYS 64 2HE LYS 64 6.123 2.445 10.645 492 1HZ LYS 64 1HZ LYS 64 7.438 4.197 10.936 493 2HZ LYS 64 2HZ LYS 64 6.540 4.778 12.247 494 3HZ LYS 64 3HZ LYS 64 6.078 5.167 10.667 495 H THR 65 H THR 65 0.351 3.718 10.568 496 HA THR 65 HA THR 65 0.611 6.571 10.783 497 HB THR 65 HB THR 65 -0.772 4.877 8.694 498 HG1 THR 65 1HG THR 65 1.827 5.916 9.008 499 1HG2 THR 65 1HG2 THR 65 -0.063 7.325 7.580 500 2HG2 THR 65 2HG2 THR 65 -0.766 7.739 9.144 501 3HG2 THR 65 3HG2 THR 65 -1.691 6.785 7.985 502 H LEU 66 H LEU 66 -1.967 4.220 11.143 503 HA LEU 66 HA LEU 66 -3.840 6.406 11.759 504 1HB LEU 66 1HB LEU 66 -4.194 3.685 10.600 505 2HB LEU 66 2HB LEU 66 -5.512 4.387 11.536 506 HG LEU 66 HG LEU 66 -5.705 6.219 9.988 507 1HD1 LEU 66 1HD1 LEU 66 -3.339 5.003 8.571 508 2HD1 LEU 66 2HD1 LEU 66 -3.362 6.532 9.448 509 3HD1 LEU 66 3HD1 LEU 66 -4.311 6.348 7.974 510 1HD2 LEU 66 1HD2 LEU 66 -5.589 3.484 8.750 511 2HD2 LEU 66 2HD2 LEU 66 -6.157 4.897 7.859 512 3HD2 LEU 66 3HD2 LEU 66 -7.000 4.377 9.319 513 H GLN 67 H GLN 67 -2.491 6.305 13.847 514 HA GLN 67 HA GLN 67 -3.837 4.456 15.700 515 1HB GLN 67 1HB GLN 67 -0.938 5.251 15.588 516 2HB GLN 67 2HB GLN 67 -1.669 4.652 17.071 517 1HG GLN 67 1HG GLN 67 -2.289 2.925 14.852 518 2HG GLN 67 2HG GLN 67 -0.548 3.155 15.012 519 1HE2 GLN 67 1HE2 GLN 67 -0.169 1.073 15.701 520 2HE2 GLN 67 2HE2 GLN 67 -0.649 0.501 17.258 521 HA PRO 68 HA PRO 68 -3.917 9.098 16.884 522 1HB PRO 68 1HB PRO 68 -6.409 9.735 16.014 523 2HB PRO 68 2HB PRO 68 -4.962 9.937 15.018 524 1HG PRO 68 1HG PRO 68 -6.984 7.729 14.997 525 2HG PRO 68 2HG PRO 68 -6.223 8.562 13.629 526 1HD PRO 68 1HD PRO 68 -5.409 6.126 14.488 527 2HD PRO 68 2HD PRO 68 -4.292 7.311 13.780 528 H VAL 69 H VAL 69 -6.741 6.919 16.748 529 HA VAL 69 HA VAL 69 -6.917 6.936 19.643 530 HB VAL 69 HB VAL 69 -9.399 7.480 19.527 531 1HG1 VAL 69 1HG1 VAL 69 -7.925 9.927 18.743 532 2HG1 VAL 69 2HG1 VAL 69 -8.958 9.622 20.141 533 3HG1 VAL 69 3HG1 VAL 69 -7.301 9.017 20.119 534 1HG2 VAL 69 1HG2 VAL 69 -8.687 8.877 16.965 535 2HG2 VAL 69 2HG2 VAL 69 -9.401 7.265 16.983 536 3HG2 VAL 69 3HG2 VAL 69 -10.281 8.626 17.677 537 H SER 70 H SER 70 -6.241 4.726 18.759 538 HA SER 70 HA SER 70 -8.017 3.054 17.397 539 1HB SER 70 1HB SER 70 -6.583 1.455 19.244 540 2HB SER 70 2HB SER 70 -6.215 1.733 17.542 541 HG SER 70 HG SER 70 -4.811 2.502 19.624 542 H ASP 71 H ASP 71 -8.060 4.206 20.636 543 HA ASP 71 HA ASP 71 -9.469 2.194 21.952 544 1HB ASP 71 1HB ASP 71 -9.892 5.145 22.426 545 2HB ASP 71 2HB ASP 71 -10.034 3.830 23.590 546 H LEU 72 H LEU 72 -10.502 4.425 19.536 547 HA LEU 72 HA LEU 72 -13.327 3.904 20.087 548 1HB LEU 72 1HB LEU 72 -11.897 5.817 18.267 549 2HB LEU 72 2HB LEU 72 -13.633 5.535 18.151 550 HG LEU 72 HG LEU 72 -12.302 6.486 20.678 551 1HD1 LEU 72 1HD1 LEU 72 -13.701 8.242 18.681 552 2HD1 LEU 72 2HD1 LEU 72 -11.951 8.023 18.694 553 3HD1 LEU 72 3HD1 LEU 72 -12.763 8.719 20.096 554 1HD2 LEU 72 1HD2 LEU 72 -14.871 5.549 20.110 555 2HD2 LEU 72 2HD2 LEU 72 -15.023 7.304 20.206 556 3HD2 LEU 72 3HD2 LEU 72 -14.339 6.402 21.560 557 H LEU 73 H LEU 73 -10.959 3.595 17.459 558 HA LEU 73 HA LEU 73 -12.596 2.431 15.543 559 1HB LEU 73 1HB LEU 73 -9.665 2.127 16.123 560 2HB LEU 73 2HB LEU 73 -10.436 1.328 14.754 561 HG LEU 73 HG LEU 73 -11.189 3.702 14.077 562 1HD1 LEU 73 1HD1 LEU 73 -9.536 5.436 14.808 563 2HD1 LEU 73 2HD1 LEU 73 -9.010 4.313 16.062 564 3HD1 LEU 73 3HD1 LEU 73 -10.668 4.913 16.056 565 1HD2 LEU 73 1HD2 LEU 73 -8.408 2.598 13.893 566 2HD2 LEU 73 2HD2 LEU 73 -8.840 4.119 13.111 567 3HD2 LEU 73 3HD2 LEU 73 -9.676 2.631 12.668 568 H THR 74 H THR 74 -11.018 1.009 18.330 569 HA THR 74 HA THR 74 -11.339 -1.703 17.653 570 HB THR 74 HB THR 74 -11.318 -0.495 20.426 571 HG1 THR 74 1HG THR 74 -9.226 -0.271 20.162 572 1HG2 THR 74 1HG2 THR 74 -10.213 -2.809 20.864 573 2HG2 THR 74 2HG2 THR 74 -11.022 -3.282 19.370 574 3HG2 THR 74 3HG2 THR 74 -11.969 -2.702 20.739 575 H ASN 75 H ASN 75 -13.599 0.673 18.667 576 HA ASN 75 HA ASN 75 -15.585 -1.381 19.348 577 1HB ASN 75 1HB ASN 75 -15.871 1.602 19.719 578 2HB ASN 75 2HB ASN 75 -16.837 0.326 20.454 579 1HD2 ASN 75 1HD2 ASN 75 -14.964 2.565 21.413 580 2HD2 ASN 75 2HD2 ASN 75 -13.984 1.777 22.599 581 H MET 76 H MET 76 -14.638 0.743 16.875 582 HA MET 76 HA MET 76 -17.293 0.900 15.686 583 1HB MET 76 1HB MET 76 -14.628 2.004 14.784 584 2HB MET 76 2HB MET 76 -16.147 2.250 13.933 585 1HG MET 76 1HG MET 76 -17.044 3.354 15.963 586 2HG MET 76 2HG MET 76 -15.449 3.208 16.696 587 1HE MET 76 1HE MET 76 -13.257 5.682 14.824 588 2HE MET 76 2HE MET 76 -13.435 4.524 16.142 589 3HE MET 76 3HE MET 76 -13.336 3.955 14.475 590 H GLY 77 H GLY 77 -15.475 -1.587 15.965 591 1HA GLY 77 2HA GLY 77 -15.605 -3.560 14.706 592 2HA GLY 77 1HA GLY 77 -16.106 -2.613 13.313 593 H ILE 78 H ILE 78 -13.660 -0.837 14.185 594 HA ILE 78 HA ILE 78 -11.779 -2.280 12.473 595 HB ILE 78 HB ILE 78 -11.746 0.582 13.438 596 1HG1 ILE 78 1HG1 ILE 78 -11.890 0.334 10.608 597 2HG1 ILE 78 2HG1 ILE 78 -13.121 -0.720 11.295 598 1HG2 ILE 78 1HG2 ILE 78 -9.737 -1.078 12.084 599 2HG2 ILE 78 2HG2 ILE 78 -10.033 0.493 11.339 600 3HG2 ILE 78 3HG2 ILE 78 -9.543 0.397 13.031 601 1HD1 ILE 78 1HD1 ILE 78 -14.140 1.371 10.915 602 2HD1 ILE 78 2HD1 ILE 78 -13.881 1.252 12.656 603 3HD1 ILE 78 3HD1 ILE 78 -12.804 2.241 11.669 604 H ASP 79 H ASP 79 -11.112 -3.815 14.057 605 HA ASP 79 HA ASP 79 -9.782 -2.856 16.448 606 1HB ASP 79 1HB ASP 79 -11.151 -5.134 15.940 607 2HB ASP 79 2HB ASP 79 -9.505 -5.696 15.662 608 H LEU 80 H LEU 80 -7.928 -1.803 15.928 609 HA LEU 80 HA LEU 80 -6.168 -2.282 13.880 610 1HB LEU 80 1HB LEU 80 -6.202 -0.743 16.243 611 2HB LEU 80 2HB LEU 80 -4.667 -1.608 16.222 612 HG LEU 80 HG LEU 80 -4.543 -0.668 13.767 613 1HD1 LEU 80 1HD1 LEU 80 -5.702 1.802 14.625 614 2HD1 LEU 80 2HD1 LEU 80 -6.917 0.525 14.685 615 3HD1 LEU 80 3HD1 LEU 80 -6.050 0.847 13.183 616 1HD2 LEU 80 1HD2 LEU 80 -4.061 1.082 16.176 617 2HD2 LEU 80 2HD2 LEU 80 -3.276 1.216 14.601 618 3HD2 LEU 80 3HD2 LEU 80 -2.982 -0.197 15.617 619 H ASP 81 H ASP 81 -6.441 -3.962 16.945 620 HA ASP 81 HA ASP 81 -4.043 -5.337 17.026 621 1HB ASP 81 1HB ASP 81 -6.729 -5.705 18.147 622 2HB ASP 81 2HB ASP 81 -5.832 -7.208 17.949 623 H GLU 82 H GLU 82 -6.796 -5.820 14.958 624 HA GLU 82 HA GLU 82 -5.822 -8.390 14.008 625 1HB GLU 82 1HB GLU 82 -7.866 -8.663 12.966 626 2HB GLU 82 2HB GLU 82 -8.309 -7.652 14.334 627 1HG GLU 82 1HG GLU 82 -7.897 -5.696 12.664 628 2HG GLU 82 2HG GLU 82 -8.117 -6.950 11.445 629 H TRP 83 H TRP 83 -5.909 -5.043 13.031 630 HA TRP 83 HA TRP 83 -5.422 -5.225 10.317 631 1HB TRP 83 1HB TRP 83 -4.652 -3.229 12.413 632 2HB TRP 83 2HB TRP 83 -4.011 -3.057 10.781 633 HD1 TRP 83 HD TRP 83 -7.571 -4.337 11.273 634 HE1 TRP 83 1HE TRP 83 -9.218 -2.564 10.396 635 HE3 TRP 83 3HE TRP 83 -4.274 -0.527 10.405 636 HZ2 TRP 83 2HZ TRP 83 -9.130 0.097 9.458 637 HZ3 TRP 83 3HZ TRP 83 -5.137 1.599 9.517 638 HH2 TRP 83 HH TRP 83 -7.515 1.903 9.053 639 H SER 84 H SER 84 -3.140 -5.483 13.002 640 HA SER 84 HA SER 84 -0.808 -5.608 11.386 641 1HB SER 84 1HB SER 84 -1.396 -5.552 14.154 642 2HB SER 84 2HB SER 84 -0.444 -7.009 13.868 643 HG SER 84 HG SER 84 0.312 -4.387 13.786 644 H VAL 85 H VAL 85 -2.906 -8.060 12.835 645 HA VAL 85 HA VAL 85 -1.377 -10.168 11.487 646 HB VAL 85 HB VAL 85 -2.014 -10.343 13.949 647 1HG1 VAL 85 1HG1 VAL 85 -4.469 -9.626 13.200 648 2HG1 VAL 85 2HG1 VAL 85 -4.659 -11.378 13.107 649 3HG1 VAL 85 3HG1 VAL 85 -4.165 -10.622 14.623 650 1HG2 VAL 85 1HG2 VAL 85 -1.230 -12.330 13.146 651 2HG2 VAL 85 2HG2 VAL 85 -2.891 -12.802 13.505 652 3HG2 VAL 85 3HG2 VAL 85 -2.425 -12.406 11.851 653 H ALA 86 H ALA 86 -3.003 -8.396 9.934 654 HA ALA 86 HA ALA 86 -5.290 -10.066 9.171 655 1HB ALA 86 1HB ALA 86 -4.839 -7.246 9.260 656 2HB ALA 86 2HB ALA 86 -5.228 -7.723 7.606 657 3HB ALA 86 3HB ALA 86 -6.331 -8.124 8.922 658 H THR 87 H THR 87 -5.676 -9.644 6.601 659 HA THR 87 HA THR 87 -3.167 -10.417 5.260 660 HB THR 87 HB THR 87 -5.828 -11.514 4.397 661 HG1 THR 87 1HG THR 87 -5.538 -12.139 6.580 662 1HG2 THR 87 1HG2 THR 87 -4.379 -13.331 3.522 663 2HG2 THR 87 2HG2 THR 87 -2.969 -12.431 4.081 664 3HG2 THR 87 3HG2 THR 87 -4.007 -11.754 2.827 665 H PHE 88 H PHE 88 -2.730 -8.523 4.230 666 HA PHE 88 HA PHE 88 -4.814 -7.093 2.813 667 1HB PHE 88 1HB PHE 88 -1.905 -6.599 3.361 668 2HB PHE 88 2HB PHE 88 -2.735 -5.677 2.112 669 HD1 PHE 88 1HD PHE 88 -3.562 -6.795 5.578 670 HD2 PHE 88 2HD PHE 88 -3.330 -3.580 2.799 671 HE1 PHE 88 1HE PHE 88 -4.421 -5.254 7.294 672 HE2 PHE 88 2HE PHE 88 -4.187 -2.034 4.510 673 HZ PHE 88 HZ PHE 88 -4.733 -2.870 6.761 674 H TYR 89 H TYR 89 -5.471 -8.355 1.114 675 HA TYR 89 HA TYR 89 -3.581 -9.593 -0.668 676 1HB TYR 89 1HB TYR 89 -6.584 -9.283 -0.778 677 2HB TYR 89 2HB TYR 89 -5.651 -10.138 -2.001 678 HD1 TYR 89 1HD TYR 89 -7.233 -10.355 1.211 679 HD2 TYR 89 2HD TYR 89 -4.297 -12.161 -1.283 680 HE1 TYR 89 1HE TYR 89 -7.355 -12.406 2.563 681 HE2 TYR 89 2HE TYR 89 -4.412 -14.217 0.062 682 HH TYR 89 HH TYR 89 -6.626 -14.483 2.829 683 H LEU 90 H LEU 90 -2.607 -8.651 -2.327 684 HA LEU 90 HA LEU 90 -3.314 -5.971 -3.114 685 1HB LEU 90 1HB LEU 90 -1.191 -7.884 -4.060 686 2HB LEU 90 2HB LEU 90 -1.395 -6.259 -4.709 687 HG LEU 90 HG LEU 90 0.378 -6.132 -3.162 688 1HD1 LEU 90 1HD1 LEU 90 -2.083 -5.205 -1.690 689 2HD1 LEU 90 2HD1 LEU 90 -1.304 -4.329 -3.007 690 3HD1 LEU 90 3HD1 LEU 90 -0.438 -4.598 -1.494 691 1HD2 LEU 90 1HD2 LEU 90 -0.240 -8.322 -2.047 692 2HD2 LEU 90 2HD2 LEU 90 -1.334 -7.385 -1.029 693 3HD2 LEU 90 3HD2 LEU 90 0.401 -7.061 -0.994 694 H PHE 91 H PHE 91 -4.138 -5.296 -5.062 695 HA PHE 91 HA PHE 91 -4.737 -7.241 -7.133 696 1HB PHE 91 1HB PHE 91 -6.734 -6.256 -5.250 697 2HB PHE 91 2HB PHE 91 -7.168 -5.921 -6.924 698 HD1 PHE 91 1HD PHE 91 -6.413 -8.570 -4.490 699 HD2 PHE 91 2HD PHE 91 -7.790 -7.669 -8.415 700 HE1 PHE 91 1HE PHE 91 -7.193 -10.890 -4.745 701 HE2 PHE 91 2HE PHE 91 -8.573 -9.987 -8.676 702 HZ PHE 91 HZ PHE 91 -8.275 -11.601 -6.840 703 H ASP 92 H ASP 92 -6.205 -5.946 -8.860 704 HA ASP 92 HA ASP 92 -5.202 -3.209 -9.122 705 1HB ASP 92 1HB ASP 92 -4.642 -5.489 -10.979 706 2HB ASP 92 2HB ASP 92 -4.825 -3.867 -11.641 707 H ASP 93 H ASP 93 -6.160 -2.353 -11.381 708 HA ASP 93 HA ASP 93 -8.973 -2.291 -10.999 709 1HB ASP 93 1HB ASP 93 -7.685 -0.380 -11.895 710 2HB ASP 93 2HB ASP 93 -7.353 -1.305 -13.357 711 H ALA 94 H ALA 94 -6.904 -4.361 -12.758 712 HA ALA 94 HA ALA 94 -9.024 -5.256 -14.556 713 1HB ALA 94 1HB ALA 94 -7.382 -6.410 -15.763 714 2HB ALA 94 2HB ALA 94 -6.597 -4.909 -15.271 715 3HB ALA 94 3HB ALA 94 -6.255 -6.407 -14.406 716 H GLY 95 H GLY 95 -8.140 -5.856 -11.449 717 1HA GLY 95 2HA GLY 95 -8.977 -7.472 -10.007 718 2HA GLY 95 1HA GLY 95 -9.603 -8.346 -11.397 719 H GLU 96 H GLU 96 -6.261 -7.329 -10.910 720 HA GLU 96 HA GLU 96 -5.508 -10.147 -10.531 721 1HB GLU 96 1HB GLU 96 -3.581 -9.818 -12.020 722 2HB GLU 96 2HB GLU 96 -5.104 -9.576 -12.866 723 1HG GLU 96 1HG GLU 96 -4.755 -7.086 -12.389 724 2HG GLU 96 2HG GLU 96 -3.093 -7.532 -12.008 725 H GLU 97 H GLU 97 -3.813 -10.535 -9.158 726 HA GLU 97 HA GLU 97 -3.110 -8.376 -7.375 727 1HB GLU 97 1HB GLU 97 -3.628 -10.593 -6.475 728 2HB GLU 97 2HB GLU 97 -2.287 -11.284 -7.376 729 1HG GLU 97 1HG GLU 97 -0.774 -10.630 -5.870 730 2HG GLU 97 2HG GLU 97 -1.533 -9.055 -5.643 731 H ASN 98 H ASN 98 -1.953 -7.138 -9.037 732 HA ASN 98 HA ASN 98 0.824 -8.079 -9.319 733 1HB ASN 98 1HB ASN 98 -0.844 -6.528 -11.308 734 2HB ASN 98 2HB ASN 98 0.897 -6.749 -11.452 735 1HD2 ASN 98 1HD2 ASN 98 -1.368 -7.632 -13.143 736 2HD2 ASN 98 2HD2 ASN 98 -1.166 -9.339 -13.314 737 H PHE 99 H PHE 99 2.150 -5.962 -10.126 738 HA PHE 99 HA PHE 99 1.569 -3.885 -8.117 739 1HB PHE 99 1HB PHE 99 4.105 -3.473 -8.263 740 2HB PHE 99 2HB PHE 99 3.560 -4.909 -7.403 741 HD1 PHE 99 1HD PHE 99 5.344 -3.632 -10.295 742 HD2 PHE 99 2HD PHE 99 3.822 -7.129 -8.406 743 HE1 PHE 99 1HE PHE 99 6.761 -5.027 -11.744 744 HE2 PHE 99 2HE PHE 99 5.237 -8.530 -9.851 745 HZ PHE 99 HZ PHE 99 6.710 -7.479 -11.522 746 H SER 100 H SER 100 0.242 -3.293 -10.212 747 HA SER 100 HA SER 100 1.759 -1.991 -12.281 748 1HB SER 100 1HB SER 100 -0.521 -3.100 -12.572 749 2HB SER 100 2HB SER 100 -1.202 -1.684 -11.770 750 HG SER 100 HG SER 100 -0.501 -1.959 -14.322 751 H SER 101 H SER 101 0.310 0.315 -12.753 752 HA SER 101 HA SER 101 1.653 2.251 -11.364 753 1HB SER 101 1HB SER 101 -0.621 2.173 -13.156 754 2HB SER 101 2HB SER 101 -0.821 3.434 -11.940 755 HG SER 101 HG SER 101 1.389 3.083 -13.686 756 H ARG 102 H ARG 102 -1.319 0.627 -10.461 757 HA ARG 102 HA ARG 102 -1.136 1.890 -7.816 758 1HB ARG 102 1HB ARG 102 -3.422 2.385 -7.709 759 2HB ARG 102 2HB ARG 102 -2.958 2.886 -9.329 760 1HG ARG 102 1HG ARG 102 -3.872 0.825 -10.246 761 2HG ARG 102 2HG ARG 102 -4.309 0.289 -8.622 762 1HD ARG 102 1HD ARG 102 -6.147 1.568 -8.573 763 2HD ARG 102 2HD ARG 102 -5.313 2.949 -9.282 764 HE ARG 102 HE ARG 102 -5.896 0.834 -11.148 765 1HH1 ARG 102 2HH1 ARG 102 -7.060 3.745 -9.636 766 2HH1 ARG 102 1HH1 ARG 102 -8.182 4.111 -10.905 767 1HH2 ARG 102 2HH2 ARG 102 -7.369 1.304 -12.825 768 2HH2 ARG 102 1HH2 ARG 102 -8.357 2.721 -12.718 769 H MET 103 H MET 103 -3.058 0.659 -6.450 770 HA MET 103 HA MET 103 -3.242 -2.144 -6.992 771 1HB MET 103 1HB MET 103 -1.139 -1.112 -5.174 772 2HB MET 103 2HB MET 103 -2.050 -2.505 -4.607 773 1HG MET 103 1HG MET 103 -1.505 -3.498 -6.933 774 2HG MET 103 2HG MET 103 -0.249 -2.263 -6.974 775 1HE MET 103 1HE MET 103 0.516 -1.938 -4.069 776 2HE MET 103 2HE MET 103 1.698 -3.176 -3.643 777 3HE MET 103 3HE MET 103 1.884 -2.255 -5.136 778 H TYR 104 H TYR 104 -4.704 -3.202 -5.633 779 HA TYR 104 HA TYR 104 -6.176 -1.421 -3.805 780 1HB TYR 104 1HB TYR 104 -7.167 -3.706 -5.516 781 2HB TYR 104 2HB TYR 104 -8.143 -2.915 -4.283 782 HD1 TYR 104 1HD TYR 104 -7.349 -0.082 -4.704 783 HD2 TYR 104 2HD TYR 104 -8.257 -3.150 -7.509 784 HE1 TYR 104 1HE TYR 104 -8.035 1.624 -6.338 785 HE2 TYR 104 2HE TYR 104 -8.943 -1.453 -9.151 786 HH TYR 104 HH TYR 104 -9.113 1.961 -8.304 787 H CYS 105 H CYS 105 -6.733 -2.144 -1.788 788 HA CYS 105 HA CYS 105 -5.509 -4.689 -0.962 789 1HB CYS 105 1HB CYS 105 -5.564 -3.662 1.351 790 2HB CYS 105 2HB CYS 105 -4.471 -2.893 0.207 791 HG CYS 105 HG CYS 105 -5.708 -0.952 1.840 792 H SER 106 H SER 106 -7.106 -6.169 -1.123 793 HA SER 106 HA SER 106 -9.742 -5.531 -0.012 794 1HB SER 106 1HB SER 106 -9.739 -8.139 -1.117 795 2HB SER 106 2HB SER 106 -10.492 -6.687 -1.777 796 HG SER 106 HG SER 106 -8.091 -7.917 -2.451 797 H PHE 107 H PHE 107 -10.604 -6.590 1.710 798 HA PHE 107 HA PHE 107 -8.814 -7.867 3.518 799 1HB PHE 107 1HB PHE 107 -10.732 -8.063 4.994 800 2HB PHE 107 2HB PHE 107 -10.728 -6.468 4.249 801 HD1 PHE 107 1HD PHE 107 -12.487 -5.768 2.817 802 HD2 PHE 107 2HD PHE 107 -12.344 -9.773 4.251 803 HE1 PHE 107 1HE PHE 107 -14.790 -6.128 2.031 804 HE2 PHE 107 2HE PHE 107 -14.647 -10.140 3.466 805 HZ PHE 107 HZ PHE 107 -15.873 -8.316 2.354 806 H TYR 108 H TYR 108 -10.519 -9.004 0.870 807 HA TYR 108 HA TYR 108 -10.541 -11.755 1.923 808 1HB TYR 108 1HB TYR 108 -12.225 -12.282 0.262 809 2HB TYR 108 2HB TYR 108 -12.747 -10.882 1.192 810 HD1 TYR 108 1HD TYR 108 -12.452 -8.579 0.164 811 HD2 TYR 108 2HD TYR 108 -12.040 -12.172 -2.078 812 HE1 TYR 108 1HE TYR 108 -12.771 -7.309 -1.918 813 HE2 TYR 108 2HE TYR 108 -12.356 -10.911 -4.166 814 HH TYR 108 HH TYR 108 -13.500 -8.697 -4.824 815 HA PRO 109 HA PRO 109 -7.412 -12.963 -0.908 816 1HB PRO 109 1HB PRO 109 -8.169 -15.507 -1.481 817 2HB PRO 109 2HB PRO 109 -7.485 -15.036 0.080 818 1HG PRO 109 1HG PRO 109 -10.350 -15.446 -0.688 819 2HG PRO 109 2HG PRO 109 -9.500 -15.961 0.781 820 1HD PRO 109 1HD PRO 109 -11.091 -13.770 0.709 821 2HD PRO 109 2HD PRO 109 -9.659 -13.877 1.754 822 HA PRO 110 HA PRO 110 -8.648 -12.516 -5.104 823 1HB PRO 110 1HB PRO 110 -6.928 -14.158 -6.414 824 2HB PRO 110 2HB PRO 110 -6.427 -12.630 -5.680 825 1HG PRO 110 1HG PRO 110 -6.161 -15.418 -4.622 826 2HG PRO 110 2HG PRO 110 -4.981 -14.095 -4.598 827 1HD PRO 110 1HD PRO 110 -6.479 -14.750 -2.439 828 2HD PRO 110 2HD PRO 110 -5.962 -13.085 -2.773 829 H ASP 111 H ASP 111 -8.016 -15.949 -4.364 830 HA ASP 111 HA ASP 111 -10.608 -16.840 -4.888 831 1HB ASP 111 1HB ASP 111 -9.084 -16.329 -7.264 832 2HB ASP 111 2HB ASP 111 -9.367 -18.062 -7.122 833 H GLU 112 H GLU 112 -7.172 -17.538 -4.934 834 HA GLU 112 HA GLU 112 -7.161 -20.293 -4.788 835 1HB GLU 112 1HB GLU 112 -5.248 -18.394 -4.647 836 2HB GLU 112 2HB GLU 112 -5.292 -18.899 -2.964 837 1HG GLU 112 1HG GLU 112 -3.703 -20.310 -3.787 838 2HG GLU 112 2HG GLU 112 -5.148 -21.298 -3.992 Start of MODEL 15 1 1H ALA 1 1H ALA 1 10.693 9.036 -7.185 2 HA ALA 1 HA ALA 1 12.360 8.471 -8.762 3 1HB ALA 1 1HB ALA 1 12.752 11.407 -8.646 4 2HB ALA 1 2HB ALA 1 14.144 10.416 -9.086 5 3HB ALA 1 3HB ALA 1 12.662 10.327 -10.038 6 HA PRO 2 HA PRO 2 14.507 8.003 -4.678 7 1HB PRO 2 1HB PRO 2 14.437 5.289 -4.696 8 2HB PRO 2 2HB PRO 2 13.112 6.280 -4.074 9 1HG PRO 2 1HG PRO 2 13.391 4.945 -6.739 10 2HG PRO 2 2HG PRO 2 11.974 5.040 -5.678 11 1HD PRO 2 1HD PRO 2 12.284 6.640 -7.841 12 2HD PRO 2 2HD PRO 2 11.439 7.172 -6.372 13 H ILE 3 H ILE 3 14.906 6.236 -7.725 14 HA ILE 3 HA ILE 3 16.755 5.657 -8.920 15 HB ILE 3 HB ILE 3 18.339 7.456 -7.091 16 1HG1 ILE 3 1HG1 ILE 3 16.881 8.216 -9.631 17 2HG1 ILE 3 2HG1 ILE 3 16.332 8.614 -8.007 18 1HG2 ILE 3 1HG2 ILE 3 19.965 6.553 -8.360 19 2HG2 ILE 3 2HG2 ILE 3 18.845 6.050 -9.625 20 3HG2 ILE 3 3HG2 ILE 3 19.405 7.721 -9.557 21 1HD1 ILE 3 1HD1 ILE 3 17.390 10.539 -8.850 22 2HD1 ILE 3 2HD1 ILE 3 18.520 9.824 -7.701 23 3HD1 ILE 3 3HD1 ILE 3 18.774 9.615 -9.433 24 H LYS 4 H LYS 4 18.609 4.286 -8.848 25 HA LYS 4 HA LYS 4 18.547 2.367 -6.796 26 1HB LYS 4 1HB LYS 4 20.382 1.317 -7.916 27 2HB LYS 4 2HB LYS 4 19.323 1.988 -9.151 28 1HG LYS 4 1HG LYS 4 20.809 3.769 -9.595 29 2HG LYS 4 2HG LYS 4 21.763 3.426 -8.150 30 1HD LYS 4 1HD LYS 4 21.571 1.133 -9.928 31 2HD LYS 4 2HD LYS 4 22.296 2.538 -10.713 32 1HE LYS 4 1HE LYS 4 24.171 2.388 -9.497 33 2HE LYS 4 2HE LYS 4 23.285 2.072 -8.006 34 1HZ LYS 4 1HZ LYS 4 23.398 -0.068 -9.992 35 2HZ LYS 4 2HZ LYS 4 23.392 -0.161 -8.304 36 3HZ LYS 4 3HZ LYS 4 24.811 0.260 -9.122 37 H GLY 5 H GLY 5 21.266 1.824 -6.296 38 1HA GLY 5 2HA GLY 5 21.759 3.052 -3.913 39 2HA GLY 5 1HA GLY 5 23.036 2.416 -4.940 40 H VAL 6 H VAL 6 24.096 3.835 -6.410 41 HA VAL 6 HA VAL 6 23.704 6.696 -5.828 42 HB VAL 6 HB VAL 6 25.664 6.138 -4.622 43 1HG1 VAL 6 1HG1 VAL 6 26.681 4.221 -5.132 44 2HG1 VAL 6 2HG1 VAL 6 26.061 4.244 -6.784 45 3HG1 VAL 6 3HG1 VAL 6 27.539 5.120 -6.382 46 1HG2 VAL 6 1HG2 VAL 6 26.986 7.777 -5.419 47 2HG2 VAL 6 2HG2 VAL 6 27.097 7.052 -7.023 48 3HG2 VAL 6 3HG2 VAL 6 25.680 8.005 -6.583 49 H THR 7 H THR 7 22.614 7.105 -7.734 50 HA THR 7 HA THR 7 24.249 7.472 -10.055 51 HB THR 7 HB THR 7 21.887 5.820 -10.742 52 HG1 THR 7 1HG THR 7 24.280 4.567 -9.855 53 1HG2 THR 7 1HG2 THR 7 23.089 6.411 -12.617 54 2HG2 THR 7 2HG2 THR 7 23.813 4.847 -12.243 55 3HG2 THR 7 3HG2 THR 7 24.638 6.335 -11.779 56 H PHE 8 H PHE 8 22.802 8.248 -11.953 57 HA PHE 8 HA PHE 8 20.343 9.531 -11.090 58 1HB PHE 8 1HB PHE 8 21.277 11.742 -12.103 59 2HB PHE 8 2HB PHE 8 21.699 11.310 -10.449 60 HD1 PHE 8 1HD PHE 8 22.921 11.877 -13.805 61 HD2 PHE 8 2HD PHE 8 23.942 10.408 -9.943 62 HE1 PHE 8 1HE PHE 8 25.308 12.036 -14.379 63 HE2 PHE 8 2HE PHE 8 26.331 10.566 -10.511 64 HZ PHE 8 HZ PHE 8 27.016 11.381 -12.731 65 H GLY 9 H GLY 9 19.799 11.172 -13.132 66 1HA GLY 9 2HA GLY 9 18.843 9.618 -15.155 67 2HA GLY 9 1HA GLY 9 19.264 11.310 -15.372 68 H GLU 10 H GLU 10 20.068 8.071 -16.107 69 HA GLU 10 HA GLU 10 22.486 8.981 -17.525 70 1HB GLU 10 1HB GLU 10 21.924 6.549 -15.935 71 2HB GLU 10 2HB GLU 10 22.832 6.304 -17.419 72 1HG GLU 10 1HG GLU 10 24.511 7.889 -16.687 73 2HG GLU 10 2HG GLU 10 23.586 8.219 -15.224 74 H ASP 11 H ASP 11 19.464 7.280 -17.715 75 HA ASP 11 HA ASP 11 19.712 7.227 -20.629 76 1HB ASP 11 1HB ASP 11 20.190 4.935 -19.317 77 2HB ASP 11 2HB ASP 11 18.433 4.842 -19.404 78 H THR 12 H THR 12 17.493 6.348 -17.977 79 HA THR 12 HA THR 12 15.581 8.303 -18.528 80 HB THR 12 HB THR 12 15.086 7.271 -20.613 81 HG1 THR 12 1HG THR 12 13.045 7.463 -20.123 82 1HG2 THR 12 1HG2 THR 12 14.191 4.679 -20.014 83 2HG2 THR 12 2HG2 THR 12 15.753 4.849 -19.211 84 3HG2 THR 12 3HG2 THR 12 15.617 5.133 -20.946 85 H VAL 13 H VAL 13 13.584 8.006 -17.310 86 HA VAL 13 HA VAL 13 14.076 6.605 -14.846 87 HB VAL 13 HB VAL 13 11.459 7.900 -15.537 88 1HG1 VAL 13 1HG1 VAL 13 13.041 7.445 -13.022 89 2HG1 VAL 13 2HG1 VAL 13 11.673 8.558 -13.093 90 3HG1 VAL 13 3HG1 VAL 13 11.435 6.843 -13.432 91 1HG2 VAL 13 1HG2 VAL 13 12.767 9.667 -16.190 92 2HG2 VAL 13 2HG2 VAL 13 12.658 9.978 -14.458 93 3HG2 VAL 13 3HG2 VAL 13 14.100 9.216 -15.127 94 H TRP 14 H TRP 14 12.437 5.189 -13.852 95 HA TRP 14 HA TRP 14 11.193 3.286 -13.820 96 1HB TRP 14 1HB TRP 14 10.109 4.755 -16.173 97 2HB TRP 14 2HB TRP 14 9.657 3.063 -15.990 98 HD1 TRP 14 HD TRP 14 9.523 6.350 -13.939 99 HE1 TRP 14 1HE TRP 14 7.451 6.250 -12.416 100 HE3 TRP 14 3HE TRP 14 7.937 1.616 -15.038 101 HZ2 TRP 14 2HZ TRP 14 5.413 4.407 -11.767 102 HZ3 TRP 14 3HZ TRP 14 5.918 0.760 -13.923 103 HH2 TRP 14 HH TRP 14 4.684 2.128 -12.321 104 H GLU 15 H GLU 15 13.818 3.566 -15.406 105 HA GLU 15 HA GLU 15 13.701 0.872 -16.540 106 1HB GLU 15 1HB GLU 15 14.351 3.372 -18.008 107 2HB GLU 15 2HB GLU 15 15.351 1.966 -18.345 108 1HG GLU 15 1HG GLU 15 12.367 1.781 -18.425 109 2HG GLU 15 2HG GLU 15 13.279 2.400 -19.801 110 H VAL 16 H VAL 16 15.836 3.628 -15.820 111 HA VAL 16 HA VAL 16 17.988 1.758 -15.146 112 HB VAL 16 HB VAL 16 18.449 3.706 -16.660 113 1HG1 VAL 16 1HG1 VAL 16 17.001 5.169 -14.917 114 2HG1 VAL 16 2HG1 VAL 16 18.635 5.545 -14.367 115 3HG1 VAL 16 3HG1 VAL 16 18.174 5.856 -16.041 116 1HG2 VAL 16 1HG2 VAL 16 20.605 3.896 -15.915 117 2HG2 VAL 16 2HG2 VAL 16 20.124 4.079 -14.228 118 3HG2 VAL 16 3HG2 VAL 16 20.084 2.489 -14.988 119 H GLN 17 H GLN 17 15.749 3.984 -13.717 120 HA GLN 17 HA GLN 17 17.053 4.480 -11.280 121 1HB GLN 17 1HB GLN 17 15.107 5.488 -10.611 122 2HB GLN 17 2HB GLN 17 14.847 5.470 -12.350 123 1HG GLN 17 1HG GLN 17 13.556 3.364 -12.072 124 2HG GLN 17 2HG GLN 17 13.713 3.556 -10.327 125 1HE2 GLN 17 1HE2 GLN 17 11.300 3.475 -11.887 126 2HE2 GLN 17 2HE2 GLN 17 10.488 4.978 -11.635 127 H GLY 18 H GLY 18 15.210 1.749 -12.429 128 1HA GLY 18 2HA GLY 18 15.000 -0.371 -11.557 129 2HA GLY 18 1HA GLY 18 16.173 0.082 -10.330 130 H TYR 19 H TYR 19 13.063 1.628 -10.971 131 HA TYR 19 HA TYR 19 11.831 0.384 -8.670 132 1HB TYR 19 1HB TYR 19 12.614 3.296 -8.682 133 2HB TYR 19 2HB TYR 19 11.328 2.673 -7.655 134 HD1 TYR 19 1HD TYR 19 14.759 3.387 -7.828 135 HD2 TYR 19 2HD TYR 19 12.013 0.584 -6.185 136 HE1 TYR 19 1HE TYR 19 16.428 2.754 -6.136 137 HE2 TYR 19 2HE TYR 19 13.673 -0.056 -4.487 138 HH TYR 19 HH TYR 19 16.946 0.879 -4.673 139 H LYS 20 H LYS 20 9.630 1.632 -8.255 140 HA LYS 20 HA LYS 20 8.463 2.683 -10.696 141 1HB LYS 20 1HB LYS 20 7.685 0.035 -9.497 142 2HB LYS 20 2HB LYS 20 6.544 0.980 -10.446 143 1HG LYS 20 1HG LYS 20 7.377 -0.305 -12.107 144 2HG LYS 20 2HG LYS 20 8.581 0.984 -12.157 145 1HD LYS 20 1HD LYS 20 10.211 -0.422 -11.581 146 2HD LYS 20 2HD LYS 20 9.286 -1.017 -10.200 147 1HE LYS 20 1HE LYS 20 9.277 -2.955 -11.337 148 2HE LYS 20 2HE LYS 20 7.972 -2.203 -12.254 149 1HZ LYS 20 1HZ LYS 20 9.218 -2.441 -14.051 150 2HZ LYS 20 2HZ LYS 20 10.529 -3.008 -13.146 151 3HZ LYS 20 3HZ LYS 20 10.338 -1.348 -13.407 152 H ASN 21 H ASN 21 5.875 2.771 -10.160 153 HA ASN 21 HA ASN 21 5.604 3.831 -7.431 154 1HB ASN 21 1HB ASN 21 4.660 5.173 -9.974 155 2HB ASN 21 2HB ASN 21 4.256 5.710 -8.346 156 1HD2 ASN 21 1HD2 ASN 21 7.011 5.014 -10.449 157 2HD2 ASN 21 2HD2 ASN 21 8.039 6.243 -9.801 158 H VAL 22 H VAL 22 3.907 3.026 -6.389 159 HA VAL 22 HA VAL 22 1.581 2.114 -7.938 160 HB VAL 22 HB VAL 22 2.892 0.557 -5.704 161 1HG1 VAL 22 1HG1 VAL 22 0.196 0.556 -6.717 162 2HG1 VAL 22 2HG1 VAL 22 0.965 -1.011 -6.976 163 3HG1 VAL 22 3HG1 VAL 22 0.882 -0.325 -5.353 164 1HG2 VAL 22 1HG2 VAL 22 2.933 -1.173 -7.665 165 2HG2 VAL 22 2HG2 VAL 22 2.856 0.271 -8.676 166 3HG2 VAL 22 3HG2 VAL 22 4.190 0.059 -7.541 167 H ARG 23 H ARG 23 -0.224 3.017 -7.216 168 HA ARG 23 HA ARG 23 -0.271 4.072 -4.472 169 1HB ARG 23 1HB ARG 23 -1.153 5.113 -7.020 170 2HB ARG 23 2HB ARG 23 -2.486 5.069 -5.874 171 1HG ARG 23 1HG ARG 23 0.009 6.138 -4.779 172 2HG ARG 23 2HG ARG 23 -0.682 7.086 -6.097 173 1HD ARG 23 1HD ARG 23 -2.705 6.230 -4.212 174 2HD ARG 23 2HD ARG 23 -1.427 7.152 -3.421 175 HE ARG 23 HE ARG 23 -2.021 8.651 -5.594 176 1HH1 ARG 23 2HH1 ARG 23 -3.939 7.266 -3.039 177 2HH1 ARG 23 1HH1 ARG 23 -5.135 8.519 -3.081 178 1HH2 ARG 23 2HH2 ARG 23 -3.590 10.306 -5.659 179 2HH2 ARG 23 1HH2 ARG 23 -4.936 10.247 -4.572 180 H ILE 24 H ILE 24 -1.841 3.487 -3.050 181 HA ILE 24 HA ILE 24 -3.627 1.314 -3.910 182 HB ILE 24 HB ILE 24 -2.906 2.005 -1.067 183 1HG1 ILE 24 1HG1 ILE 24 -0.845 1.461 -2.242 184 2HG1 ILE 24 2HG1 ILE 24 -1.294 0.127 -1.186 185 1HG2 ILE 24 1HG2 ILE 24 -3.544 -0.752 -1.699 186 2HG2 ILE 24 2HG2 ILE 24 -4.229 0.315 -0.474 187 3HG2 ILE 24 3HG2 ILE 24 -4.853 0.351 -2.123 188 1HD1 ILE 24 1HD1 ILE 24 -1.809 0.232 -4.147 189 2HD1 ILE 24 2HD1 ILE 24 -0.475 -0.621 -3.371 190 3HD1 ILE 24 3HD1 ILE 24 -2.138 -1.123 -3.068 191 H THR 25 H THR 25 -5.739 1.675 -4.010 192 HA THR 25 HA THR 25 -7.028 3.535 -2.199 193 HB THR 25 HB THR 25 -7.179 3.967 -5.189 194 HG1 THR 25 1HG THR 25 -5.742 5.496 -4.876 195 1HG2 THR 25 1HG2 THR 25 -9.285 4.582 -4.480 196 2HG2 THR 25 2HG2 THR 25 -8.406 6.095 -4.260 197 3HG2 THR 25 3HG2 THR 25 -8.724 5.050 -2.875 198 H PHE 26 H PHE 26 -7.869 1.400 -1.591 199 HA PHE 26 HA PHE 26 -10.074 0.566 -3.359 200 1HB PHE 26 1HB PHE 26 -8.394 -1.189 -3.238 201 2HB PHE 26 2HB PHE 26 -8.424 -1.134 -1.478 202 HD1 PHE 26 1HD PHE 26 -10.315 -2.092 -4.484 203 HD2 PHE 26 2HD PHE 26 -10.118 -2.247 -0.235 204 HE1 PHE 26 1HE PHE 26 -12.086 -3.800 -4.467 205 HE2 PHE 26 2HE PHE 26 -11.888 -3.955 -0.211 206 HZ PHE 26 HZ PHE 26 -12.874 -4.734 -2.329 207 H GLU 27 H GLU 27 -9.261 -0.222 0.006 208 HA GLU 27 HA GLU 27 -11.080 1.441 1.286 209 1HB GLU 27 1HB GLU 27 -12.332 -0.781 -0.063 210 2HB GLU 27 2HB GLU 27 -12.572 -0.910 1.674 211 1HG GLU 27 1HG GLU 27 -13.056 1.774 1.003 212 2HG GLU 27 2HG GLU 27 -13.875 0.794 -0.212 213 H LEU 28 H LEU 28 -11.004 1.201 3.499 214 HA LEU 28 HA LEU 28 -9.893 -1.217 4.657 215 1HB LEU 28 1HB LEU 28 -8.220 0.930 4.008 216 2HB LEU 28 2HB LEU 28 -8.472 1.037 5.749 217 HG LEU 28 HG LEU 28 -7.612 -1.214 6.039 218 1HD1 LEU 28 1HD1 LEU 28 -6.513 -2.283 4.001 219 2HD1 LEU 28 2HD1 LEU 28 -7.515 -1.197 3.039 220 3HD1 LEU 28 3HD1 LEU 28 -8.271 -2.373 4.114 221 1HD2 LEU 28 1HD2 LEU 28 -5.292 -0.813 5.409 222 2HD2 LEU 28 2HD2 LEU 28 -6.033 0.653 6.052 223 3HD2 LEU 28 3HD2 LEU 28 -5.801 0.472 4.313 224 H ASP 29 H ASP 29 -10.596 2.197 5.418 225 HA ASP 29 HA ASP 29 -12.107 1.253 7.767 226 1HB ASP 29 1HB ASP 29 -9.923 3.035 7.671 227 2HB ASP 29 2HB ASP 29 -11.346 4.022 7.991 228 H GLU 30 H GLU 30 -13.576 3.265 8.517 229 HA GLU 30 HA GLU 30 -15.074 4.113 6.125 230 1HB GLU 30 1HB GLU 30 -17.112 4.026 7.592 231 2HB GLU 30 2HB GLU 30 -16.387 2.464 7.242 232 1HG GLU 30 1HG GLU 30 -15.992 2.048 9.389 233 2HG GLU 30 2HG GLU 30 -15.329 3.657 9.666 234 H ARG 31 H ARG 31 -13.917 4.954 9.321 235 HA ARG 31 HA ARG 31 -14.891 7.702 8.967 236 1HB ARG 31 1HB ARG 31 -15.179 6.166 11.131 237 2HB ARG 31 2HB ARG 31 -13.595 6.833 11.500 238 1HG ARG 31 1HG ARG 31 -15.116 8.257 12.557 239 2HG ARG 31 2HG ARG 31 -14.635 9.116 11.093 240 1HD ARG 31 1HD ARG 31 -16.670 8.396 9.977 241 2HD ARG 31 2HD ARG 31 -17.140 7.464 11.398 242 HE ARG 31 HE ARG 31 -16.787 10.060 12.265 243 1HH1 ARG 31 2HH1 ARG 31 -18.808 8.394 9.971 244 2HH1 ARG 31 1HH1 ARG 31 -20.129 9.502 10.133 245 1HH2 ARG 31 2HH2 ARG 31 -18.520 11.526 12.486 246 2HH2 ARG 31 1HH2 ARG 31 -19.964 11.284 11.563 247 H VAL 32 H VAL 32 -12.075 5.770 8.881 248 HA VAL 32 HA VAL 32 -10.431 8.189 8.593 249 HB VAL 32 HB VAL 32 -8.531 6.877 9.654 250 1HG1 VAL 32 1HG1 VAL 32 -9.487 7.302 12.018 251 2HG1 VAL 32 2HG1 VAL 32 -9.310 8.666 10.913 252 3HG1 VAL 32 3HG1 VAL 32 -10.894 7.930 11.161 253 1HG2 VAL 32 1HG2 VAL 32 -9.484 4.666 9.598 254 2HG2 VAL 32 2HG2 VAL 32 -9.226 5.134 11.278 255 3HG2 VAL 32 3HG2 VAL 32 -10.847 5.186 10.588 256 H ASP 33 H ASP 33 -11.471 6.991 6.421 257 HA ASP 33 HA ASP 33 -9.686 4.985 5.367 258 1HB ASP 33 1HB ASP 33 -11.587 4.582 4.239 259 2HB ASP 33 2HB ASP 33 -12.235 6.177 4.610 260 H LYS 34 H LYS 34 -10.449 8.367 4.546 261 HA LYS 34 HA LYS 34 -8.572 8.722 2.533 262 1HB LYS 34 1HB LYS 34 -9.148 10.921 2.605 263 2HB LYS 34 2HB LYS 34 -10.447 10.302 3.616 264 1HG LYS 34 1HG LYS 34 -7.845 11.366 4.690 265 2HG LYS 34 2HG LYS 34 -9.314 12.328 4.509 266 1HD LYS 34 1HD LYS 34 -9.526 9.755 5.975 267 2HD LYS 34 2HD LYS 34 -8.697 11.089 6.781 268 1HE LYS 34 1HE LYS 34 -10.783 12.463 6.043 269 2HE LYS 34 2HE LYS 34 -11.544 10.881 5.891 270 1HZ LYS 34 1HZ LYS 34 -10.393 12.112 8.328 271 2HZ LYS 34 2HZ LYS 34 -10.792 10.471 8.235 272 3HZ LYS 34 3HZ LYS 34 -11.997 11.644 8.058 273 H VAL 35 H VAL 35 -8.115 8.424 5.931 274 HA VAL 35 HA VAL 35 -5.648 9.776 6.195 275 HB VAL 35 HB VAL 35 -6.675 7.438 7.811 276 1HG1 VAL 35 1HG1 VAL 35 -5.207 8.460 9.584 277 2HG1 VAL 35 2HG1 VAL 35 -4.355 7.698 8.240 278 3HG1 VAL 35 3HG1 VAL 35 -4.497 9.455 8.312 279 1HG2 VAL 35 1HG2 VAL 35 -8.262 9.289 7.787 280 2HG2 VAL 35 2HG2 VAL 35 -7.503 9.136 9.372 281 3HG2 VAL 35 3HG2 VAL 35 -6.983 10.406 8.264 282 H LEU 36 H LEU 36 -6.463 6.890 4.620 283 HA LEU 36 HA LEU 36 -3.634 6.065 4.576 284 1HB LEU 36 1HB LEU 36 -4.238 3.819 4.483 285 2HB LEU 36 2HB LEU 36 -5.316 4.509 5.695 286 HG LEU 36 HG LEU 36 -6.758 4.692 3.335 287 1HD1 LEU 36 1HD1 LEU 36 -6.694 2.269 2.584 288 2HD1 LEU 36 2HD1 LEU 36 -5.137 2.165 3.403 289 3HD1 LEU 36 3HD1 LEU 36 -5.355 3.295 2.067 290 1HD2 LEU 36 1HD2 LEU 36 -6.860 2.503 5.407 291 2HD2 LEU 36 2HD2 LEU 36 -8.172 3.015 4.346 292 3HD2 LEU 36 3HD2 LEU 36 -7.568 4.108 5.593 293 H ASN 37 H ASN 37 -5.898 7.579 2.818 294 HA ASN 37 HA ASN 37 -4.884 6.491 0.274 295 1HB ASN 37 1HB ASN 37 -6.981 6.288 -0.480 296 2HB ASN 37 2HB ASN 37 -7.553 6.688 1.137 297 1HD2 ASN 37 1HD2 ASN 37 -7.763 7.497 -2.031 298 2HD2 ASN 37 2HD2 ASN 37 -8.309 9.130 -1.880 299 H GLU 38 H GLU 38 -5.075 9.172 2.322 300 HA GLU 38 HA GLU 38 -4.226 10.959 0.137 301 1HB GLU 38 1HB GLU 38 -6.228 11.914 0.834 302 2HB GLU 38 2HB GLU 38 -5.976 11.461 2.514 303 1HG GLU 38 1HG GLU 38 -4.820 13.325 2.983 304 2HG GLU 38 2HG GLU 38 -4.002 13.338 1.422 305 H LYS 39 H LYS 39 -3.696 9.864 3.416 306 HA LYS 39 HA LYS 39 -1.623 11.693 4.064 307 1HB LYS 39 1HB LYS 39 -3.079 9.942 5.507 308 2HB LYS 39 2HB LYS 39 -1.599 9.010 5.320 309 1HG LYS 39 1HG LYS 39 -0.462 10.300 6.748 310 2HG LYS 39 2HG LYS 39 -1.163 11.790 6.113 311 1HD LYS 39 1HD LYS 39 -2.596 9.870 7.946 312 2HD LYS 39 2HD LYS 39 -1.766 11.332 8.481 313 1HE LYS 39 1HE LYS 39 -3.332 12.357 6.545 314 2HE LYS 39 2HE LYS 39 -4.340 11.010 7.072 315 1HZ LYS 39 1HZ LYS 39 -3.277 12.424 9.295 316 2HZ LYS 39 2HZ LYS 39 -4.891 12.105 8.903 317 3HZ LYS 39 3HZ LYS 39 -4.122 13.474 8.272 318 H CYS 40 H CYS 40 -1.655 8.426 2.710 319 HA CYS 40 HA CYS 40 0.673 8.756 1.211 320 1HB CYS 40 1HB CYS 40 2.171 7.185 2.547 321 2HB CYS 40 2HB CYS 40 1.988 8.817 3.177 322 HG CYS 40 HG CYS 40 0.047 6.280 4.363 323 H SER 41 H SER 41 -0.679 7.707 -0.268 324 HA SER 41 HA SER 41 -1.210 4.864 0.274 325 1HB SER 41 1HB SER 41 -2.632 5.452 -2.002 326 2HB SER 41 2HB SER 41 -3.289 5.475 -0.366 327 HG SER 41 HG SER 41 -2.082 7.715 -1.617 328 H VAL 42 H VAL 42 0.880 6.877 -1.343 329 HA VAL 42 HA VAL 42 1.286 5.107 -3.627 330 HB VAL 42 HB VAL 42 1.380 7.451 -4.142 331 1HG1 VAL 42 1HG1 VAL 42 1.875 8.518 -2.122 332 2HG1 VAL 42 2HG1 VAL 42 3.342 7.570 -1.875 333 3HG1 VAL 42 3HG1 VAL 42 3.295 8.815 -3.124 334 1HG2 VAL 42 1HG2 VAL 42 4.167 6.297 -4.133 335 2HG2 VAL 42 2HG2 VAL 42 2.928 5.988 -5.350 336 3HG2 VAL 42 3HG2 VAL 42 3.592 7.611 -5.159 337 H TYR 43 H TYR 43 3.113 3.892 -3.968 338 HA TYR 43 HA TYR 43 5.217 3.917 -1.941 339 1HB TYR 43 1HB TYR 43 3.805 1.369 -2.753 340 2HB TYR 43 2HB TYR 43 5.111 1.525 -1.582 341 HD1 TYR 43 1HD TYR 43 4.666 2.083 0.675 342 HD2 TYR 43 2HD TYR 43 1.561 2.356 -2.221 343 HE1 TYR 43 1HE TYR 43 3.020 2.386 2.477 344 HE2 TYR 43 2HE TYR 43 -0.094 2.662 -0.427 345 HH TYR 43 HH TYR 43 -0.421 2.893 1.756 346 H THR 44 H THR 44 7.133 2.703 -2.598 347 HA THR 44 HA THR 44 7.467 2.794 -5.513 348 HB THR 44 HB THR 44 9.802 2.452 -3.690 349 HG1 THR 44 1HG THR 44 8.364 4.890 -4.042 350 1HG2 THR 44 1HG2 THR 44 9.591 2.753 -6.354 351 2HG2 THR 44 2HG2 THR 44 10.989 3.298 -5.428 352 3HG2 THR 44 3HG2 THR 44 9.725 4.444 -5.874 353 H VAL 45 H VAL 45 8.093 1.048 -6.685 354 HA VAL 45 HA VAL 45 8.443 -1.486 -5.218 355 HB VAL 45 HB VAL 45 7.160 -1.060 -7.920 356 1HG1 VAL 45 1HG1 VAL 45 8.155 -3.120 -8.179 357 2HG1 VAL 45 2HG1 VAL 45 8.034 -3.515 -6.463 358 3HG1 VAL 45 3HG1 VAL 45 6.599 -3.575 -7.487 359 1HG2 VAL 45 1HG2 VAL 45 5.886 -2.180 -5.439 360 2HG2 VAL 45 2HG2 VAL 45 5.854 -0.459 -5.821 361 3HG2 VAL 45 3HG2 VAL 45 5.104 -1.620 -6.916 362 H GLU 46 H GLU 46 10.373 -2.389 -5.446 363 HA GLU 46 HA GLU 46 12.417 -1.365 -7.044 364 1HB GLU 46 1HB GLU 46 12.083 -3.520 -5.182 365 2HB GLU 46 2HB GLU 46 12.976 -4.103 -6.580 366 1HG GLU 46 1HG GLU 46 14.337 -1.878 -6.204 367 2HG GLU 46 2HG GLU 46 13.728 -2.063 -4.561 368 H SER 47 H SER 47 13.685 -3.134 -8.496 369 HA SER 47 HA SER 47 12.069 -3.378 -10.849 370 1HB SER 47 1HB SER 47 14.550 -2.822 -10.793 371 2HB SER 47 2HB SER 47 14.834 -4.527 -10.443 372 HG SER 47 HG SER 47 14.744 -4.775 -12.521 373 H GLY 48 H GLY 48 13.423 -5.614 -8.475 374 1HA GLY 48 2HA GLY 48 11.811 -7.759 -9.717 375 2HA GLY 48 1HA GLY 48 13.382 -8.051 -8.987 376 H THR 49 H THR 49 10.047 -7.138 -8.323 377 HA THR 49 HA THR 49 10.393 -8.187 -5.594 378 HB THR 49 HB THR 49 8.397 -6.019 -6.107 379 HG1 THR 49 1HG THR 49 10.720 -5.490 -6.793 380 1HG2 THR 49 1HG2 THR 49 9.574 -5.617 -3.662 381 2HG2 THR 49 2HG2 THR 49 9.627 -7.373 -3.823 382 3HG2 THR 49 3HG2 THR 49 8.087 -6.522 -3.940 383 H GLU 50 H GLU 50 8.301 -8.846 -4.587 384 HA GLU 50 HA GLU 50 6.571 -10.079 -6.623 385 1HB GLU 50 1HB GLU 50 7.687 -11.019 -4.071 386 2HB GLU 50 2HB GLU 50 5.982 -11.387 -4.292 387 1HG GLU 50 1HG GLU 50 7.458 -11.983 -6.685 388 2HG GLU 50 2HG GLU 50 8.172 -12.795 -5.292 389 H VAL 51 H VAL 51 4.293 -10.231 -6.182 390 HA VAL 51 HA VAL 51 3.170 -7.801 -5.283 391 HB VAL 51 HB VAL 51 1.654 -10.384 -5.617 392 1HG1 VAL 51 1HG1 VAL 51 -0.164 -8.877 -6.305 393 2HG1 VAL 51 2HG1 VAL 51 0.384 -8.552 -4.659 394 3HG1 VAL 51 3HG1 VAL 51 0.878 -7.492 -5.980 395 1HG2 VAL 51 1HG2 VAL 51 2.544 -10.425 -7.686 396 2HG2 VAL 51 2HG2 VAL 51 1.372 -9.147 -8.006 397 3HG2 VAL 51 3HG2 VAL 51 3.043 -8.734 -7.619 398 H THR 52 H THR 52 4.134 -10.606 -3.613 399 HA THR 52 HA THR 52 2.317 -10.186 -1.378 400 HB THR 52 HB THR 52 2.753 -12.487 -1.916 401 HG1 THR 52 1HG THR 52 3.135 -13.103 0.122 402 1HG2 THR 52 1HG2 THR 52 5.121 -13.374 -1.594 403 2HG2 THR 52 2HG2 THR 52 5.648 -11.694 -1.701 404 3HG2 THR 52 3HG2 THR 52 4.816 -12.446 -3.061 405 H GLU 53 H GLU 53 5.492 -9.314 -2.357 406 HA GLU 53 HA GLU 53 6.649 -8.943 0.208 407 1HB GLU 53 1HB GLU 53 7.672 -8.978 -2.265 408 2HB GLU 53 2HB GLU 53 7.526 -7.237 -2.063 409 1HG GLU 53 1HG GLU 53 8.722 -8.537 0.244 410 2HG GLU 53 2HG GLU 53 9.631 -8.800 -1.243 411 H PHE 54 H PHE 54 4.656 -6.960 -1.870 412 HA PHE 54 HA PHE 54 5.081 -4.527 -0.425 413 1HB PHE 54 1HB PHE 54 2.687 -5.080 -2.160 414 2HB PHE 54 2HB PHE 54 3.515 -3.552 -1.883 415 HD1 PHE 54 1HD PHE 54 2.921 -5.909 -4.273 416 HD2 PHE 54 2HD PHE 54 6.177 -3.797 -2.525 417 HE1 PHE 54 1HE PHE 54 4.243 -6.263 -6.317 418 HE2 PHE 54 2HE PHE 54 7.504 -4.146 -4.567 419 HZ PHE 54 HZ PHE 54 6.538 -5.380 -6.467 420 H ALA 55 H ALA 55 3.199 -7.309 0.096 421 HA ALA 55 HA ALA 55 1.045 -6.107 1.535 422 1HB ALA 55 1HB ALA 55 0.193 -8.144 1.339 423 2HB ALA 55 2HB ALA 55 1.706 -8.690 0.615 424 3HB ALA 55 3HB ALA 55 1.472 -8.806 2.359 425 H CYS 56 H CYS 56 4.276 -6.438 2.253 426 HA CYS 56 HA CYS 56 3.764 -6.507 5.152 427 1HB CYS 56 1HB CYS 56 5.552 -8.013 3.637 428 2HB CYS 56 2HB CYS 56 6.557 -6.781 4.391 429 HG CYS 56 HG CYS 56 4.447 -8.837 6.132 430 H VAL 57 H VAL 57 4.725 -4.550 2.557 431 HA VAL 57 HA VAL 57 6.036 -2.617 4.343 432 HB VAL 57 HB VAL 57 7.212 -3.355 2.226 433 1HG1 VAL 57 1HG1 VAL 57 5.495 -1.457 0.715 434 2HG1 VAL 57 2HG1 VAL 57 6.434 -2.836 0.141 435 3HG1 VAL 57 3HG1 VAL 57 4.900 -3.096 0.972 436 1HG2 VAL 57 1HG2 VAL 57 7.637 -0.853 1.555 437 2HG2 VAL 57 2HG2 VAL 57 6.660 -0.526 2.986 438 3HG2 VAL 57 3HG2 VAL 57 8.148 -1.462 3.130 439 H VAL 58 H VAL 58 3.288 -3.119 2.262 440 HA VAL 58 HA VAL 58 2.464 -0.348 2.324 441 HB VAL 58 HB VAL 58 0.991 -2.795 1.339 442 1HG1 VAL 58 1HG1 VAL 58 -0.434 -1.152 0.150 443 2HG1 VAL 58 2HG1 VAL 58 -0.579 -1.059 1.907 444 3HG1 VAL 58 3HG1 VAL 58 0.377 0.141 1.035 445 1HG2 VAL 58 1HG2 VAL 58 3.149 -2.135 0.176 446 2HG2 VAL 58 2HG2 VAL 58 1.709 -2.238 -0.837 447 3HG2 VAL 58 3HG2 VAL 58 2.312 -0.664 -0.320 448 H ALA 59 H ALA 59 2.001 -3.175 4.225 449 HA ALA 59 HA ALA 59 -0.433 -2.217 5.480 450 1HB ALA 59 1HB ALA 59 0.500 -4.710 5.049 451 2HB ALA 59 2HB ALA 59 1.025 -4.458 6.714 452 3HB ALA 59 3HB ALA 59 -0.681 -4.303 6.294 453 H GLU 60 H GLU 60 2.782 -1.493 5.767 454 HA GLU 60 HA GLU 60 2.808 -1.192 8.659 455 1HB GLU 60 1HB GLU 60 4.784 -1.456 6.624 456 2HB GLU 60 2HB GLU 60 5.049 0.078 7.440 457 1HG GLU 60 1HG GLU 60 4.581 -1.739 9.489 458 2HG GLU 60 2HG GLU 60 5.596 -2.605 8.337 459 H ALA 61 H ALA 61 3.529 1.009 5.944 460 HA ALA 61 HA ALA 61 3.389 3.392 7.324 461 1HB ALA 61 1HB ALA 61 3.869 2.741 4.760 462 2HB ALA 61 2HB ALA 61 2.262 3.450 4.599 463 3HB ALA 61 3HB ALA 61 3.574 4.391 5.309 464 H VAL 62 H VAL 62 0.749 1.638 5.723 465 HA VAL 62 HA VAL 62 -1.295 3.478 6.110 466 HB VAL 62 HB VAL 62 -2.842 1.508 6.065 467 1HG1 VAL 62 1HG1 VAL 62 -1.558 0.670 3.789 468 2HG1 VAL 62 2HG1 VAL 62 -2.636 2.062 3.908 469 3HG1 VAL 62 3HG1 VAL 62 -0.891 2.282 4.041 470 1HG2 VAL 62 1HG2 VAL 62 -0.234 0.004 6.056 471 2HG2 VAL 62 2HG2 VAL 62 -1.569 -0.154 7.198 472 3HG2 VAL 62 3HG2 VAL 62 -1.764 -0.699 5.532 473 H VAL 63 H VAL 63 0.285 1.406 8.384 474 HA VAL 63 HA VAL 63 -1.793 1.636 10.387 475 HB VAL 63 HB VAL 63 0.973 0.434 10.471 476 1HG1 VAL 63 1HG1 VAL 63 -0.797 1.211 12.645 477 2HG1 VAL 63 2HG1 VAL 63 -0.381 -0.504 12.680 478 3HG1 VAL 63 3HG1 VAL 63 0.894 0.715 12.685 479 1HG2 VAL 63 1HG2 VAL 63 -0.106 -1.662 10.433 480 2HG2 VAL 63 2HG2 VAL 63 -1.684 -0.947 10.757 481 3HG2 VAL 63 3HG2 VAL 63 -0.908 -0.698 9.193 482 H LYS 64 H LYS 64 1.661 2.538 10.318 483 HA LYS 64 HA LYS 64 1.594 4.192 12.565 484 1HB LYS 64 1HB LYS 64 3.666 5.243 11.515 485 2HB LYS 64 2HB LYS 64 3.719 3.509 11.802 486 1HG LYS 64 1HG LYS 64 2.689 3.847 9.211 487 2HG LYS 64 2HG LYS 64 4.058 4.951 9.358 488 1HD LYS 64 1HD LYS 64 4.082 1.992 9.952 489 2HD LYS 64 2HD LYS 64 4.786 2.776 8.536 490 1HE LYS 64 1HE LYS 64 5.879 4.139 10.690 491 2HE LYS 64 2HE LYS 64 5.861 2.455 11.210 492 1HZ LYS 64 1HZ LYS 64 7.375 3.720 9.065 493 2HZ LYS 64 2HZ LYS 64 6.814 2.152 8.773 494 3HZ LYS 64 3HZ LYS 64 7.815 2.458 10.102 495 H THR 65 H THR 65 0.416 4.717 9.392 496 HA THR 65 HA THR 65 0.371 7.618 9.688 497 HB THR 65 HB THR 65 0.863 6.342 7.480 498 HG1 THR 65 1HG THR 65 0.430 8.660 7.763 499 1HG2 THR 65 1HG2 THR 65 -2.152 6.388 7.356 500 2HG2 THR 65 2HG2 THR 65 -1.199 4.934 7.653 501 3HG2 THR 65 3HG2 THR 65 -1.038 5.797 6.124 502 H LEU 66 H LEU 66 -1.451 5.162 10.810 503 HA LEU 66 HA LEU 66 -3.869 6.829 10.850 504 1HB LEU 66 1HB LEU 66 -3.645 4.457 9.437 505 2HB LEU 66 2HB LEU 66 -4.449 3.986 10.933 506 HG LEU 66 HG LEU 66 -5.733 6.321 9.943 507 1HD1 LEU 66 1HD1 LEU 66 -6.563 5.440 7.791 508 2HD1 LEU 66 2HD1 LEU 66 -5.368 4.147 7.887 509 3HD1 LEU 66 3HD1 LEU 66 -4.842 5.826 7.758 510 1HD2 LEU 66 1HD2 LEU 66 -7.491 4.317 9.533 511 2HD2 LEU 66 2HD2 LEU 66 -7.165 5.032 11.112 512 3HD2 LEU 66 3HD2 LEU 66 -6.367 3.531 10.641 513 H GLN 67 H GLN 67 -2.263 7.091 12.895 514 HA GLN 67 HA GLN 67 -3.449 5.415 15.006 515 1HB GLN 67 1HB GLN 67 -0.731 6.622 15.341 516 2HB GLN 67 2HB GLN 67 -1.429 5.214 16.131 517 1HG GLN 67 1HG GLN 67 -1.360 4.124 13.813 518 2HG GLN 67 2HG GLN 67 -0.268 5.440 13.382 519 1HE2 GLN 67 1HE2 GLN 67 -0.199 2.363 14.092 520 2HE2 GLN 67 2HE2 GLN 67 1.265 2.245 15.001 521 HA PRO 68 HA PRO 68 -3.775 10.154 15.636 522 1HB PRO 68 1HB PRO 68 -6.329 10.537 14.800 523 2HB PRO 68 2HB PRO 68 -4.933 10.699 13.728 524 1HG PRO 68 1HG PRO 68 -6.814 8.392 14.054 525 2HG PRO 68 2HG PRO 68 -6.153 9.096 12.567 526 1HD PRO 68 1HD PRO 68 -5.160 6.833 13.674 527 2HD PRO 68 2HD PRO 68 -4.145 7.986 12.784 528 H VAL 69 H VAL 69 -6.343 7.704 15.932 529 HA VAL 69 HA VAL 69 -6.475 8.160 18.789 530 HB VAL 69 HB VAL 69 -9.017 8.385 18.664 531 1HG1 VAL 69 1HG1 VAL 69 -7.093 10.211 18.996 532 2HG1 VAL 69 2HG1 VAL 69 -7.852 10.862 17.543 533 3HG1 VAL 69 3HG1 VAL 69 -8.809 10.615 19.004 534 1HG2 VAL 69 1HG2 VAL 69 -9.978 9.305 16.675 535 2HG2 VAL 69 2HG2 VAL 69 -8.401 9.391 15.889 536 3HG2 VAL 69 3HG2 VAL 69 -9.131 7.822 16.232 537 H SER 70 H SER 70 -5.546 5.920 17.971 538 HA SER 70 HA SER 70 -7.419 3.935 17.184 539 1HB SER 70 1HB SER 70 -5.513 2.396 18.144 540 2HB SER 70 2HB SER 70 -5.242 3.324 16.670 541 HG SER 70 HG SER 70 -3.536 3.498 18.246 542 H ASP 71 H ASP 71 -6.941 5.524 20.098 543 HA ASP 71 HA ASP 71 -7.418 3.463 21.967 544 1HB ASP 71 1HB ASP 71 -8.130 6.391 22.233 545 2HB ASP 71 2HB ASP 71 -7.909 5.239 23.547 546 H LEU 72 H LEU 72 -9.443 4.927 19.677 547 HA LEU 72 HA LEU 72 -11.875 4.195 21.144 548 1HB LEU 72 1HB LEU 72 -13.082 5.581 19.677 549 2HB LEU 72 2HB LEU 72 -11.620 6.472 20.098 550 HG LEU 72 HG LEU 72 -10.778 5.361 17.822 551 1HD1 LEU 72 1HD1 LEU 72 -12.996 5.838 16.357 552 2HD1 LEU 72 2HD1 LEU 72 -13.707 5.108 17.796 553 3HD1 LEU 72 3HD1 LEU 72 -12.480 4.234 16.880 554 1HD2 LEU 72 1HD2 LEU 72 -12.556 7.792 17.835 555 2HD2 LEU 72 2HD2 LEU 72 -11.197 7.452 16.763 556 3HD2 LEU 72 3HD2 LEU 72 -10.911 7.780 18.473 557 H LEU 73 H LEU 73 -10.104 3.561 18.166 558 HA LEU 73 HA LEU 73 -11.958 1.963 16.845 559 1HB LEU 73 1HB LEU 73 -8.971 1.571 16.868 560 2HB LEU 73 2HB LEU 73 -10.098 1.044 15.619 561 HG LEU 73 HG LEU 73 -9.360 3.893 16.285 562 1HD1 LEU 73 1HD1 LEU 73 -8.476 1.931 14.247 563 2HD1 LEU 73 2HD1 LEU 73 -7.580 3.225 15.043 564 3HD1 LEU 73 3HD1 LEU 73 -8.694 3.603 13.730 565 1HD2 LEU 73 1HD2 LEU 73 -11.708 2.852 15.076 566 2HD2 LEU 73 2HD2 LEU 73 -10.747 3.637 13.822 567 3HD2 LEU 73 3HD2 LEU 73 -11.219 4.537 15.264 568 H THR 74 H THR 74 -9.771 1.203 19.476 569 HA THR 74 HA THR 74 -10.169 -1.629 19.351 570 HB THR 74 HB THR 74 -9.381 -0.734 21.977 571 HG1 THR 74 1HG THR 74 -7.308 0.174 20.959 572 1HG2 THR 74 1HG2 THR 74 -7.176 -1.847 20.985 573 2HG2 THR 74 2HG2 THR 74 -8.319 -2.414 19.768 574 3HG2 THR 74 3HG2 THR 74 -8.573 -2.808 21.468 575 H ASN 75 H ASN 75 -11.980 0.984 20.576 576 HA ASN 75 HA ASN 75 -13.340 -0.489 22.643 577 1HB ASN 75 1HB ASN 75 -13.960 1.554 23.310 578 2HB ASN 75 2HB ASN 75 -13.070 2.223 21.945 579 1HD2 ASN 75 1HD2 ASN 75 -14.165 3.301 20.458 580 2HD2 ASN 75 2HD2 ASN 75 -15.885 3.318 20.291 581 H MET 76 H MET 76 -13.668 -0.080 19.255 582 HA MET 76 HA MET 76 -16.432 -1.068 19.305 583 1HB MET 76 1HB MET 76 -16.372 -0.522 16.841 584 2HB MET 76 2HB MET 76 -16.228 0.857 17.923 585 1HG MET 76 1HG MET 76 -13.920 1.076 17.501 586 2HG MET 76 2HG MET 76 -13.841 -0.499 16.714 587 1HE MET 76 1HE MET 76 -15.326 3.446 15.618 588 2HE MET 76 2HE MET 76 -13.999 2.942 16.664 589 3HE MET 76 3HE MET 76 -13.698 3.277 14.958 590 H GLY 77 H GLY 77 -13.179 -1.944 18.483 591 1HA GLY 77 2HA GLY 77 -13.039 -4.509 18.572 592 2HA GLY 77 1HA GLY 77 -14.135 -4.418 17.201 593 H ILE 78 H ILE 78 -12.879 -2.067 16.051 594 HA ILE 78 HA ILE 78 -11.030 -3.299 14.356 595 HB ILE 78 HB ILE 78 -11.346 -0.351 14.936 596 1HG1 ILE 78 1HG1 ILE 78 -12.566 -2.099 12.788 597 2HG1 ILE 78 2HG1 ILE 78 -13.420 -1.415 14.167 598 1HG2 ILE 78 1HG2 ILE 78 -10.027 -1.764 12.622 599 2HG2 ILE 78 2HG2 ILE 78 -10.319 -0.029 12.724 600 3HG2 ILE 78 3HG2 ILE 78 -9.221 -0.805 13.864 601 1HD1 ILE 78 1HD1 ILE 78 -13.988 0.102 12.584 602 2HD1 ILE 78 2HD1 ILE 78 -12.488 0.841 13.145 603 3HD1 ILE 78 3HD1 ILE 78 -12.498 -0.124 11.669 604 H ASP 79 H ASP 79 -8.969 -3.827 14.610 605 HA ASP 79 HA ASP 79 -7.444 -2.526 16.770 606 1HB ASP 79 1HB ASP 79 -7.965 -5.246 16.359 607 2HB ASP 79 2HB ASP 79 -6.293 -5.021 15.851 608 H LEU 80 H LEU 80 -5.410 -1.755 16.360 609 HA LEU 80 HA LEU 80 -4.742 -1.397 13.547 610 1HB LEU 80 1HB LEU 80 -4.613 0.251 15.752 611 2HB LEU 80 2HB LEU 80 -2.932 -0.211 15.498 612 HG LEU 80 HG LEU 80 -3.462 0.506 13.016 613 1HD1 LEU 80 1HD1 LEU 80 -5.044 2.688 14.019 614 2HD1 LEU 80 2HD1 LEU 80 -5.873 1.152 14.272 615 3HD1 LEU 80 3HD1 LEU 80 -5.349 1.614 12.653 616 1HD2 LEU 80 1HD2 LEU 80 -2.225 2.366 13.435 617 2HD2 LEU 80 2HD2 LEU 80 -1.971 1.526 14.965 618 3HD2 LEU 80 3HD2 LEU 80 -3.171 2.815 14.855 619 H ASP 81 H ASP 81 -3.465 -2.894 16.455 620 HA ASP 81 HA ASP 81 -0.892 -3.505 15.484 621 1HB ASP 81 1HB ASP 81 -2.406 -4.007 17.842 622 2HB ASP 81 2HB ASP 81 -1.752 -5.545 17.284 623 H GLU 82 H GLU 82 -3.945 -4.750 14.670 624 HA GLU 82 HA GLU 82 -2.925 -7.324 13.778 625 1HB GLU 82 1HB GLU 82 -5.132 -7.978 13.478 626 2HB GLU 82 2HB GLU 82 -5.252 -6.862 14.831 627 1HG GLU 82 1HG GLU 82 -5.712 -5.098 12.968 628 2HG GLU 82 2HG GLU 82 -6.130 -6.515 12.006 629 H TRP 83 H TRP 83 -3.821 -4.215 12.485 630 HA TRP 83 HA TRP 83 -4.225 -4.760 9.817 631 1HB TRP 83 1HB TRP 83 -2.973 -2.422 11.229 632 2HB TRP 83 2HB TRP 83 -3.066 -2.459 9.471 633 HD1 TRP 83 HD TRP 83 -6.000 -4.007 11.254 634 HE1 TRP 83 1HE TRP 83 -8.043 -2.454 11.055 635 HE3 TRP 83 3HE TRP 83 -3.688 0.133 9.345 636 HZ2 TRP 83 2HZ TRP 83 -8.601 0.178 10.200 637 HZ3 TRP 83 3HZ TRP 83 -5.048 2.127 8.863 638 HH2 TRP 83 HH TRP 83 -7.453 2.146 9.282 639 H SER 84 H SER 84 -1.140 -4.345 11.514 640 HA SER 84 HA SER 84 0.498 -4.589 9.221 641 1HB SER 84 1HB SER 84 0.877 -4.148 11.993 642 2HB SER 84 2HB SER 84 1.854 -5.551 11.562 643 HG SER 84 HG SER 84 2.681 -4.232 9.805 644 H VAL 85 H VAL 85 -0.595 -6.935 11.644 645 HA VAL 85 HA VAL 85 0.618 -9.106 10.100 646 HB VAL 85 HB VAL 85 0.866 -8.932 12.632 647 1HG1 VAL 85 1HG1 VAL 85 -1.748 -10.296 12.901 648 2HG1 VAL 85 2HG1 VAL 85 -0.884 -9.262 14.040 649 3HG1 VAL 85 3HG1 VAL 85 -1.773 -8.544 12.697 650 1HG2 VAL 85 1HG2 VAL 85 0.217 -11.490 12.829 651 2HG2 VAL 85 2HG2 VAL 85 0.048 -11.332 11.081 652 3HG2 VAL 85 3HG2 VAL 85 1.587 -10.955 11.856 653 H ALA 86 H ALA 86 -1.646 -7.734 9.008 654 HA ALA 86 HA ALA 86 -3.817 -9.687 9.295 655 1HB ALA 86 1HB ALA 86 -5.053 -7.836 9.323 656 2HB ALA 86 2HB ALA 86 -3.708 -6.839 8.765 657 3HB ALA 86 3HB ALA 86 -4.715 -7.696 7.597 658 H THR 87 H THR 87 -5.091 -9.820 7.052 659 HA THR 87 HA THR 87 -3.128 -10.864 5.140 660 HB THR 87 HB THR 87 -6.097 -11.361 5.039 661 HG1 THR 87 1HG THR 87 -4.278 -13.138 6.274 662 1HG2 THR 87 1HG2 THR 87 -3.827 -13.129 4.149 663 2HG2 THR 87 2HG2 THR 87 -4.559 -11.917 3.097 664 3HG2 THR 87 3HG2 THR 87 -5.534 -13.246 3.723 665 H PHE 88 H PHE 88 -2.561 -8.978 4.054 666 HA PHE 88 HA PHE 88 -4.652 -7.384 2.809 667 1HB PHE 88 1HB PHE 88 -1.711 -7.085 3.217 668 2HB PHE 88 2HB PHE 88 -2.457 -6.220 1.877 669 HD1 PHE 88 1HD PHE 88 -3.782 -6.940 5.275 670 HD2 PHE 88 2HD PHE 88 -2.455 -3.993 2.506 671 HE1 PHE 88 1HE PHE 88 -4.497 -5.168 6.825 672 HE2 PHE 88 2HE PHE 88 -3.167 -2.216 4.051 673 HZ PHE 88 HZ PHE 88 -4.188 -2.802 6.214 674 H TYR 89 H TYR 89 -5.474 -8.001 0.931 675 HA TYR 89 HA TYR 89 -3.851 -9.632 -0.882 676 1HB TYR 89 1HB TYR 89 -6.821 -9.124 -0.708 677 2HB TYR 89 2HB TYR 89 -6.077 -9.977 -2.056 678 HD1 TYR 89 1HD TYR 89 -4.703 -12.077 -1.504 679 HD2 TYR 89 2HD TYR 89 -7.421 -10.279 1.231 680 HE1 TYR 89 1HE TYR 89 -4.811 -14.183 -0.238 681 HE2 TYR 89 2HE TYR 89 -7.536 -12.379 2.505 682 HH TYR 89 HH TYR 89 -6.284 -15.325 1.311 683 H LEU 90 H LEU 90 -2.923 -8.730 -2.587 684 HA LEU 90 HA LEU 90 -3.596 -6.020 -3.352 685 1HB LEU 90 1HB LEU 90 -1.464 -7.958 -4.197 686 2HB LEU 90 2HB LEU 90 -1.710 -6.422 -5.025 687 HG LEU 90 HG LEU 90 0.093 -6.148 -3.494 688 1HD1 LEU 90 1HD1 LEU 90 -2.193 -4.925 -2.003 689 2HD1 LEU 90 2HD1 LEU 90 -1.811 -4.405 -3.644 690 3HD1 LEU 90 3HD1 LEU 90 -0.605 -4.251 -2.367 691 1HD2 LEU 90 1HD2 LEU 90 -1.332 -6.606 -1.005 692 2HD2 LEU 90 2HD2 LEU 90 0.260 -7.166 -1.518 693 3HD2 LEU 90 3HD2 LEU 90 -1.185 -8.068 -1.979 694 H PHE 91 H PHE 91 -4.260 -5.365 -5.416 695 HA PHE 91 HA PHE 91 -4.998 -7.371 -7.375 696 1HB PHE 91 1HB PHE 91 -6.940 -6.139 -5.572 697 2HB PHE 91 2HB PHE 91 -7.341 -5.906 -7.270 698 HD1 PHE 91 1HD PHE 91 -7.936 -7.767 -8.676 699 HD2 PHE 91 2HD PHE 91 -6.885 -8.358 -4.594 700 HE1 PHE 91 1HE PHE 91 -8.855 -10.048 -8.773 701 HE2 PHE 91 2HE PHE 91 -7.801 -10.640 -4.685 702 HZ PHE 91 HZ PHE 91 -8.787 -11.488 -6.777 703 H ASP 92 H ASP 92 -5.947 -6.322 -9.358 704 HA ASP 92 HA ASP 92 -4.881 -3.597 -9.703 705 1HB ASP 92 1HB ASP 92 -3.980 -5.946 -10.963 706 2HB ASP 92 2HB ASP 92 -4.908 -5.076 -12.181 707 H ASP 93 H ASP 93 -5.726 -3.099 -12.255 708 HA ASP 93 HA ASP 93 -8.551 -2.682 -11.832 709 1HB ASP 93 1HB ASP 93 -8.465 -1.200 -13.679 710 2HB ASP 93 2HB ASP 93 -6.940 -0.977 -12.825 711 H ALA 94 H ALA 94 -6.858 -5.239 -12.935 712 HA ALA 94 HA ALA 94 -8.910 -5.987 -14.913 713 1HB ALA 94 1HB ALA 94 -6.145 -7.155 -14.632 714 2HB ALA 94 2HB ALA 94 -7.311 -7.471 -15.918 715 3HB ALA 94 3HB ALA 94 -6.579 -5.874 -15.764 716 H GLY 95 H GLY 95 -8.281 -6.364 -11.771 717 1HA GLY 95 2HA GLY 95 -9.179 -7.838 -10.234 718 2HA GLY 95 1HA GLY 95 -9.840 -8.765 -11.573 719 H GLU 96 H GLU 96 -6.451 -7.936 -10.992 720 HA GLU 96 HA GLU 96 -5.884 -10.717 -10.287 721 1HB GLU 96 1HB GLU 96 -4.088 -10.884 -11.925 722 2HB GLU 96 2HB GLU 96 -5.622 -10.578 -12.726 723 1HG GLU 96 1HG GLU 96 -5.041 -8.238 -12.997 724 2HG GLU 96 2HG GLU 96 -3.524 -8.502 -12.140 725 H GLU 97 H GLU 97 -3.698 -11.018 -9.429 726 HA GLU 97 HA GLU 97 -2.978 -8.822 -7.710 727 1HB GLU 97 1HB GLU 97 -2.539 -11.682 -7.791 728 2HB GLU 97 2HB GLU 97 -1.042 -10.826 -7.449 729 1HG GLU 97 1HG GLU 97 -2.123 -9.676 -5.585 730 2HG GLU 97 2HG GLU 97 -3.622 -10.538 -5.926 731 H ASN 98 H ASN 98 -2.246 -7.268 -9.230 732 HA ASN 98 HA ASN 98 0.439 -7.846 -10.296 733 1HB ASN 98 1HB ASN 98 -1.923 -6.599 -11.587 734 2HB ASN 98 2HB ASN 98 -0.364 -5.848 -11.918 735 1HD2 ASN 98 1HD2 ASN 98 -1.741 -9.113 -11.679 736 2HD2 ASN 98 2HD2 ASN 98 -0.974 -9.722 -13.102 737 H PHE 99 H PHE 99 1.705 -5.780 -10.698 738 HA PHE 99 HA PHE 99 1.216 -3.894 -8.487 739 1HB PHE 99 1HB PHE 99 3.829 -3.575 -8.801 740 2HB PHE 99 2HB PHE 99 3.180 -4.868 -7.798 741 HD1 PHE 99 1HD PHE 99 4.202 -4.199 -11.319 742 HD2 PHE 99 2HD PHE 99 3.926 -7.017 -8.141 743 HE1 PHE 99 1HE PHE 99 5.406 -5.853 -12.686 744 HE2 PHE 99 2HE PHE 99 5.130 -8.675 -9.502 745 HZ PHE 99 HZ PHE 99 5.873 -8.094 -11.777 746 H SER 100 H SER 100 -0.084 -3.146 -10.602 747 HA SER 100 HA SER 100 1.497 -1.649 -12.481 748 1HB SER 100 1HB SER 100 -0.450 -1.353 -13.657 749 2HB SER 100 2HB SER 100 -0.931 -2.749 -12.694 750 HG SER 100 HG SER 100 -2.476 -1.505 -12.018 751 H SER 101 H SER 101 0.123 0.692 -12.816 752 HA SER 101 HA SER 101 1.368 2.465 -11.129 753 1HB SER 101 1HB SER 101 0.200 4.128 -12.214 754 2HB SER 101 2HB SER 101 -0.071 2.797 -13.339 755 HG SER 101 HG SER 101 -2.077 3.461 -12.997 756 H ARG 102 H ARG 102 -1.644 0.766 -10.652 757 HA ARG 102 HA ARG 102 -1.771 1.864 -7.930 758 1HB ARG 102 1HB ARG 102 -4.095 2.233 -8.029 759 2HB ARG 102 2HB ARG 102 -3.467 2.911 -9.525 760 1HG ARG 102 1HG ARG 102 -4.163 0.918 -10.737 761 2HG ARG 102 2HG ARG 102 -4.764 0.209 -9.237 762 1HD ARG 102 1HD ARG 102 -6.588 1.577 -9.159 763 2HD ARG 102 2HD ARG 102 -5.766 2.898 -9.989 764 HE ARG 102 HE ARG 102 -6.277 0.599 -11.646 765 1HH1 ARG 102 2HH1 ARG 102 -7.527 3.617 -10.442 766 2HH1 ARG 102 1HH1 ARG 102 -8.635 3.832 -11.757 767 1HH2 ARG 102 2HH2 ARG 102 -7.731 0.871 -13.382 768 2HH2 ARG 102 1HH2 ARG 102 -8.751 2.269 -13.428 769 H MET 103 H MET 103 -2.979 0.501 -6.421 770 HA MET 103 HA MET 103 -3.399 -2.261 -7.250 771 1HB MET 103 1HB MET 103 -1.148 -1.338 -5.617 772 2HB MET 103 2HB MET 103 -2.071 -2.634 -4.870 773 1HG MET 103 1HG MET 103 -1.834 -3.816 -7.145 774 2HG MET 103 2HG MET 103 -0.548 -2.648 -7.441 775 1HE MET 103 1HE MET 103 1.684 -3.406 -4.206 776 2HE MET 103 2HE MET 103 1.710 -2.501 -5.720 777 3HE MET 103 3HE MET 103 0.445 -2.193 -4.529 778 H TYR 104 H TYR 104 -5.296 -2.878 -6.472 779 HA TYR 104 HA TYR 104 -6.592 -1.391 -4.375 780 1HB TYR 104 1HB TYR 104 -7.429 -3.780 -6.019 781 2HB TYR 104 2HB TYR 104 -8.443 -3.081 -4.761 782 HD1 TYR 104 1HD TYR 104 -8.548 -3.319 -8.010 783 HD2 TYR 104 2HD TYR 104 -7.989 -0.198 -5.173 784 HE1 TYR 104 1HE TYR 104 -9.430 -1.694 -9.632 785 HE2 TYR 104 2HE TYR 104 -8.870 1.435 -6.787 786 HH TYR 104 HH TYR 104 -10.079 0.415 -9.959 787 H CYS 105 H CYS 105 -6.614 -1.853 -2.278 788 HA CYS 105 HA CYS 105 -5.537 -4.450 -1.417 789 1HB CYS 105 1HB CYS 105 -5.312 -1.695 -0.382 790 2HB CYS 105 2HB CYS 105 -5.536 -2.938 0.843 791 HG CYS 105 HG CYS 105 -3.312 -4.459 -0.230 792 H SER 106 H SER 106 -7.203 -5.813 -1.143 793 HA SER 106 HA SER 106 -9.577 -4.847 0.298 794 1HB SER 106 1HB SER 106 -9.893 -7.501 -0.788 795 2HB SER 106 2HB SER 106 -10.805 -6.036 -1.152 796 HG SER 106 HG SER 106 -8.423 -6.964 -2.367 797 H PHE 107 H PHE 107 -10.565 -6.304 1.863 798 HA PHE 107 HA PHE 107 -8.537 -7.547 3.527 799 1HB PHE 107 1HB PHE 107 -10.170 -7.547 5.267 800 2HB PHE 107 2HB PHE 107 -10.320 -6.004 4.433 801 HD1 PHE 107 1HD PHE 107 -12.281 -5.462 3.161 802 HD2 PHE 107 2HD PHE 107 -11.882 -9.261 5.038 803 HE1 PHE 107 1HE PHE 107 -14.678 -5.888 2.801 804 HE2 PHE 107 2HE PHE 107 -14.278 -9.693 4.681 805 HZ PHE 107 HZ PHE 107 -15.679 -8.006 3.561 806 H TYR 108 H TYR 108 -10.526 -8.537 1.067 807 HA TYR 108 HA TYR 108 -10.722 -11.276 2.131 808 1HB TYR 108 1HB TYR 108 -12.539 -11.653 0.572 809 2HB TYR 108 2HB TYR 108 -12.881 -10.210 1.520 810 HD1 TYR 108 1HD TYR 108 -12.444 -7.945 0.462 811 HD2 TYR 108 2HD TYR 108 -12.473 -11.563 -1.776 812 HE1 TYR 108 1HE TYR 108 -12.766 -6.655 -1.607 813 HE2 TYR 108 2HE TYR 108 -12.794 -10.283 -3.852 814 HH TYR 108 HH TYR 108 -12.132 -7.546 -4.448 815 HA PRO 109 HA PRO 109 -7.880 -12.759 -0.866 816 1HB PRO 109 1HB PRO 109 -8.893 -15.224 -1.386 817 2HB PRO 109 2HB PRO 109 -8.084 -14.819 0.132 818 1HG PRO 109 1HG PRO 109 -11.012 -14.968 -0.474 819 2HG PRO 109 2HG PRO 109 -10.132 -15.558 0.948 820 1HD PRO 109 1HD PRO 109 -11.520 -13.234 0.956 821 2HD PRO 109 2HD PRO 109 -10.048 -13.470 1.920 822 HA PRO 110 HA PRO 110 -9.302 -12.197 -4.989 823 1HB PRO 110 1HB PRO 110 -7.812 -13.986 -6.386 824 2HB PRO 110 2HB PRO 110 -7.135 -12.510 -5.687 825 1HG PRO 110 1HG PRO 110 -7.063 -15.312 -4.634 826 2HG PRO 110 2HG PRO 110 -5.769 -14.100 -4.680 827 1HD PRO 110 1HD PRO 110 -7.197 -14.621 -2.440 828 2HD PRO 110 2HD PRO 110 -6.553 -13.008 -2.808 829 H ASP 111 H ASP 111 -8.826 -15.704 -4.492 830 HA ASP 111 HA ASP 111 -11.459 -16.500 -4.602 831 1HB ASP 111 1HB ASP 111 -10.573 -15.587 -7.155 832 2HB ASP 111 2HB ASP 111 -10.796 -17.332 -7.245 833 H GLU 112 H GLU 112 -8.441 -17.424 -6.267 834 HA GLU 112 HA GLU 112 -7.367 -19.444 -6.398 835 1HB GLU 112 1HB GLU 112 -6.763 -18.505 -4.135 836 2HB GLU 112 2HB GLU 112 -7.996 -19.553 -3.448 837 1HG GLU 112 1HG GLU 112 -6.770 -21.487 -4.498 838 2HG GLU 112 2HG GLU 112 -5.466 -20.355 -4.850 Start of MODEL 16 1 1H ALA 1 1H ALA 1 15.885 14.242 -8.898 2 HA ALA 1 HA ALA 1 15.128 12.797 -7.214 3 1HB ALA 1 1HB ALA 1 14.307 12.269 -9.801 4 2HB ALA 1 2HB ALA 1 14.713 10.679 -9.152 5 3HB ALA 1 3HB ALA 1 13.538 11.697 -8.320 6 HA PRO 2 HA PRO 2 17.935 9.773 -5.721 7 1HB PRO 2 1HB PRO 2 16.279 7.963 -4.559 8 2HB PRO 2 2HB PRO 2 16.582 9.565 -3.877 9 1HG PRO 2 1HG PRO 2 14.268 8.612 -5.519 10 2HG PRO 2 2HG PRO 2 14.266 9.639 -4.074 11 1HD PRO 2 1HD PRO 2 14.023 10.645 -6.576 12 2HD PRO 2 2HD PRO 2 14.826 11.532 -5.264 13 H ILE 3 H ILE 3 18.432 9.197 -8.031 14 HA ILE 3 HA ILE 3 17.263 6.669 -8.915 15 HB ILE 3 HB ILE 3 19.183 8.557 -10.280 16 1HG1 ILE 3 1HG1 ILE 3 16.277 7.873 -10.768 17 2HG1 ILE 3 2HG1 ILE 3 16.909 9.406 -10.179 18 1HG2 ILE 3 1HG2 ILE 3 19.666 6.252 -10.915 19 2HG2 ILE 3 2HG2 ILE 3 17.970 6.001 -11.323 20 3HG2 ILE 3 3HG2 ILE 3 18.942 7.139 -12.256 21 1HD1 ILE 3 1HD1 ILE 3 18.250 9.025 -12.555 22 2HD1 ILE 3 2HD1 ILE 3 16.622 8.434 -12.887 23 3HD1 ILE 3 3HD1 ILE 3 16.859 10.076 -12.290 24 H LYS 4 H LYS 4 18.407 4.783 -9.147 25 HA LYS 4 HA LYS 4 19.888 3.200 -8.397 26 1HB LYS 4 1HB LYS 4 20.984 4.694 -10.390 27 2HB LYS 4 2HB LYS 4 22.209 4.864 -9.139 28 1HG LYS 4 1HG LYS 4 21.694 2.177 -9.089 29 2HG LYS 4 2HG LYS 4 21.531 2.569 -10.803 30 1HD LYS 4 1HD LYS 4 23.779 3.931 -10.226 31 2HD LYS 4 2HD LYS 4 23.915 2.615 -9.058 32 1HE LYS 4 1HE LYS 4 23.205 1.954 -11.873 33 2HE LYS 4 2HE LYS 4 24.873 2.396 -11.510 34 1HZ LYS 4 1HZ LYS 4 25.195 0.342 -10.795 35 2HZ LYS 4 2HZ LYS 4 23.574 -0.057 -11.062 36 3HZ LYS 4 3HZ LYS 4 24.053 0.578 -9.569 37 H GLY 5 H GLY 5 22.616 3.592 -7.560 38 1HA GLY 5 2HA GLY 5 22.106 4.746 -4.890 39 2HA GLY 5 1HA GLY 5 23.182 3.390 -5.193 40 H VAL 6 H VAL 6 24.123 4.891 -7.680 41 HA VAL 6 HA VAL 6 25.610 7.091 -6.475 42 HB VAL 6 HB VAL 6 27.136 4.972 -7.965 43 1HG1 VAL 6 1HG1 VAL 6 27.741 7.551 -7.025 44 2HG1 VAL 6 2HG1 VAL 6 28.592 6.423 -5.968 45 3HG1 VAL 6 3HG1 VAL 6 28.848 6.363 -7.713 46 1HG2 VAL 6 1HG2 VAL 6 27.925 4.187 -5.724 47 2HG2 VAL 6 2HG2 VAL 6 26.631 5.140 -4.998 48 3HG2 VAL 6 3HG2 VAL 6 26.241 3.804 -6.081 49 H THR 7 H THR 7 23.573 6.554 -8.652 50 HA THR 7 HA THR 7 24.815 8.274 -10.635 51 HB THR 7 HB THR 7 23.406 5.877 -11.734 52 HG1 THR 7 1HG THR 7 26.209 5.864 -11.321 53 1HG2 THR 7 1HG2 THR 7 25.817 7.188 -12.905 54 2HG2 THR 7 2HG2 THR 7 24.269 8.031 -12.973 55 3HG2 THR 7 3HG2 THR 7 24.440 6.439 -13.712 56 H PHE 8 H PHE 8 23.386 9.638 -11.581 57 HA PHE 8 HA PHE 8 20.563 9.067 -11.654 58 1HB PHE 8 1HB PHE 8 19.991 11.175 -10.370 59 2HB PHE 8 2HB PHE 8 20.603 9.838 -9.402 60 HD1 PHE 8 1HD PHE 8 21.141 13.234 -10.496 61 HD2 PHE 8 2HD PHE 8 22.940 9.893 -8.569 62 HE1 PHE 8 1HE PHE 8 22.885 14.707 -9.577 63 HE2 PHE 8 2HE PHE 8 24.686 11.360 -7.646 64 HZ PHE 8 HZ PHE 8 24.659 13.771 -8.149 65 H GLY 9 H GLY 9 19.719 9.962 -13.425 66 1HA GLY 9 2HA GLY 9 19.323 11.589 -15.047 67 2HA GLY 9 1HA GLY 9 20.637 12.543 -14.376 68 H GLU 10 H GLU 10 20.379 9.287 -15.813 69 HA GLU 10 HA GLU 10 22.706 9.958 -17.483 70 1HB GLU 10 1HB GLU 10 21.753 7.444 -16.208 71 2HB GLU 10 2HB GLU 10 22.570 7.306 -17.758 72 1HG GLU 10 1HG GLU 10 23.755 8.802 -15.443 73 2HG GLU 10 2HG GLU 10 23.998 7.073 -15.684 74 H ASP 11 H ASP 11 19.523 8.409 -17.544 75 HA ASP 11 HA ASP 11 19.318 9.083 -20.386 76 1HB ASP 11 1HB ASP 11 19.769 6.468 -19.495 77 2HB ASP 11 2HB ASP 11 18.046 6.535 -19.857 78 H THR 12 H THR 12 17.388 7.330 -17.951 79 HA THR 12 HA THR 12 15.497 9.377 -17.564 80 HB THR 12 HB THR 12 14.933 8.830 -19.935 81 HG1 THR 12 1HG THR 12 13.285 9.678 -18.693 82 1HG2 THR 12 1HG2 THR 12 14.595 6.737 -20.641 83 2HG2 THR 12 2HG2 THR 12 13.476 6.403 -19.320 84 3HG2 THR 12 3HG2 THR 12 15.210 6.197 -19.080 85 H VAL 13 H VAL 13 13.375 8.400 -16.617 86 HA VAL 13 HA VAL 13 14.207 6.422 -14.650 87 HB VAL 13 HB VAL 13 11.479 7.643 -14.658 88 1HG1 VAL 13 1HG1 VAL 13 11.830 6.095 -12.923 89 2HG1 VAL 13 2HG1 VAL 13 13.444 6.719 -12.580 90 3HG1 VAL 13 3HG1 VAL 13 12.021 7.678 -12.172 91 1HG2 VAL 13 1HG2 VAL 13 12.762 9.581 -15.093 92 2HG2 VAL 13 2HG2 VAL 13 12.475 9.569 -13.353 93 3HG2 VAL 13 3HG2 VAL 13 14.042 9.072 -13.991 94 H TRP 14 H TRP 14 12.634 4.713 -14.014 95 HA TRP 14 HA TRP 14 11.447 2.834 -14.494 96 1HB TRP 14 1HB TRP 14 10.228 4.727 -16.503 97 2HB TRP 14 2HB TRP 14 9.672 3.067 -16.309 98 HD1 TRP 14 HD TRP 14 10.185 6.169 -14.019 99 HE1 TRP 14 1HE TRP 14 8.260 6.211 -12.311 100 HE3 TRP 14 3HE TRP 14 7.784 1.872 -15.399 101 HZ2 TRP 14 2HZ TRP 14 6.020 4.630 -11.637 102 HZ3 TRP 14 3HZ TRP 14 5.757 1.208 -14.171 103 HH2 TRP 14 HH TRP 14 4.896 2.559 -12.330 104 H GLU 15 H GLU 15 13.971 3.671 -16.040 105 HA GLU 15 HA GLU 15 13.819 1.470 -17.971 106 1HB GLU 15 1HB GLU 15 14.654 4.297 -18.521 107 2HB GLU 15 2HB GLU 15 15.367 2.976 -19.436 108 1HG GLU 15 1HG GLU 15 12.431 2.962 -19.249 109 2HG GLU 15 2HG GLU 15 13.140 4.288 -20.169 110 H VAL 16 H VAL 16 15.806 3.651 -16.048 111 HA VAL 16 HA VAL 16 17.899 1.577 -15.991 112 HB VAL 16 HB VAL 16 18.591 4.460 -15.593 113 1HG1 VAL 16 1HG1 VAL 16 20.129 2.457 -15.153 114 2HG1 VAL 16 2HG1 VAL 16 20.219 2.312 -16.910 115 3HG1 VAL 16 3HG1 VAL 16 20.767 3.789 -16.116 116 1HG2 VAL 16 1HG2 VAL 16 18.293 3.086 -18.261 117 2HG2 VAL 16 2HG2 VAL 16 17.394 4.491 -17.685 118 3HG2 VAL 16 3HG2 VAL 16 19.123 4.622 -18.009 119 H GLN 17 H GLN 17 16.177 4.102 -14.261 120 HA GLN 17 HA GLN 17 17.474 4.134 -11.839 121 1HB GLN 17 1HB GLN 17 15.762 5.669 -11.938 122 2HB GLN 17 2HB GLN 17 14.636 4.528 -12.661 123 1HG GLN 17 1HG GLN 17 14.240 3.470 -10.568 124 2HG GLN 17 2HG GLN 17 15.547 4.371 -9.802 125 1HE2 GLN 17 1HE2 GLN 17 12.261 4.388 -10.778 126 2HE2 GLN 17 2HE2 GLN 17 11.846 5.939 -10.141 127 H GLY 18 H GLY 18 15.030 1.821 -12.959 128 1HA GLY 18 2HA GLY 18 14.814 -0.413 -12.349 129 2HA GLY 18 1HA GLY 18 16.087 -0.182 -11.160 130 H TYR 19 H TYR 19 13.140 1.732 -11.438 131 HA TYR 19 HA TYR 19 11.951 0.387 -9.152 132 1HB TYR 19 1HB TYR 19 12.951 3.223 -9.088 133 2HB TYR 19 2HB TYR 19 11.624 2.701 -8.055 134 HD1 TYR 19 1HD TYR 19 15.067 3.172 -8.181 135 HD2 TYR 19 2HD TYR 19 12.161 0.415 -6.746 136 HE1 TYR 19 1HE TYR 19 16.689 2.327 -6.537 137 HE2 TYR 19 2HE TYR 19 13.775 -0.436 -5.097 138 HH TYR 19 HH TYR 19 15.787 0.253 -3.964 139 H LYS 20 H LYS 20 9.760 1.223 -8.675 140 HA LYS 20 HA LYS 20 8.513 2.656 -10.905 141 1HB LYS 20 1HB LYS 20 7.827 -0.105 -9.948 142 2HB LYS 20 2HB LYS 20 6.589 0.921 -10.661 143 1HG LYS 20 1HG LYS 20 7.282 -0.192 -12.517 144 2HG LYS 20 2HG LYS 20 8.391 1.180 -12.569 145 1HD LYS 20 1HD LYS 20 10.191 -0.104 -12.140 146 2HD LYS 20 2HD LYS 20 9.325 -1.097 -10.966 147 1HE LYS 20 1HE LYS 20 8.513 -1.425 -13.782 148 2HE LYS 20 2HE LYS 20 10.138 -1.979 -13.383 149 1HZ LYS 20 1HZ LYS 20 9.061 -3.843 -12.803 150 2HZ LYS 20 2HZ LYS 20 7.571 -3.068 -12.603 151 3HZ LYS 20 3HZ LYS 20 8.725 -3.013 -11.367 152 H ASN 21 H ASN 21 5.986 2.794 -10.273 153 HA ASN 21 HA ASN 21 5.821 3.538 -7.433 154 1HB ASN 21 1HB ASN 21 4.926 5.186 -9.805 155 2HB ASN 21 2HB ASN 21 4.452 5.527 -8.143 156 1HD2 ASN 21 1HD2 ASN 21 7.275 5.100 -10.221 157 2HD2 ASN 21 2HD2 ASN 21 8.288 6.214 -9.374 158 H VAL 22 H VAL 22 4.112 2.703 -6.430 159 HA VAL 22 HA VAL 22 1.758 1.952 -8.029 160 HB VAL 22 HB VAL 22 3.027 -0.082 -7.562 161 1HG1 VAL 22 1HG1 VAL 22 4.097 -0.426 -5.646 162 2HG1 VAL 22 2HG1 VAL 22 3.550 1.161 -5.102 163 3HG1 VAL 22 3HG1 VAL 22 2.598 -0.277 -4.732 164 1HG2 VAL 22 1HG2 VAL 22 1.249 -1.363 -6.454 165 2HG2 VAL 22 2HG2 VAL 22 0.508 0.144 -5.915 166 3HG2 VAL 22 3HG2 VAL 22 0.600 -0.227 -7.637 167 H ARG 23 H ARG 23 -0.163 2.520 -7.188 168 HA ARG 23 HA ARG 23 -0.157 3.697 -4.488 169 1HB ARG 23 1HB ARG 23 -1.300 4.555 -7.038 170 2HB ARG 23 2HB ARG 23 -2.466 4.581 -5.721 171 1HG ARG 23 1HG ARG 23 -1.551 6.713 -5.697 172 2HG ARG 23 2HG ARG 23 -0.673 5.869 -4.419 173 1HD ARG 23 1HD ARG 23 1.284 6.031 -5.501 174 2HD ARG 23 2HD ARG 23 0.561 5.630 -7.058 175 HE ARG 23 HE ARG 23 1.194 8.222 -6.104 176 1HH1 ARG 23 2HH1 ARG 23 -1.178 6.475 -7.958 177 2HH1 ARG 23 1HH1 ARG 23 -1.642 7.850 -8.905 178 1HH2 ARG 23 2HH2 ARG 23 0.593 10.040 -7.345 179 2HH2 ARG 23 1HH2 ARG 23 -0.633 9.876 -8.556 180 H ILE 24 H ILE 24 -2.118 3.457 -3.219 181 HA ILE 24 HA ILE 24 -3.630 1.018 -3.887 182 HB ILE 24 HB ILE 24 -2.682 1.853 -1.144 183 1HG1 ILE 24 1HG1 ILE 24 -0.921 0.889 -2.607 184 2HG1 ILE 24 2HG1 ILE 24 -1.285 -0.131 -1.219 185 1HG2 ILE 24 1HG2 ILE 24 -3.657 -0.284 -0.402 186 2HG2 ILE 24 2HG2 ILE 24 -4.871 0.832 -1.026 187 3HG2 ILE 24 3HG2 ILE 24 -4.323 -0.520 -2.018 188 1HD1 ILE 24 1HD1 ILE 24 -1.152 -0.936 -3.840 189 2HD1 ILE 24 2HD1 ILE 24 -1.892 -1.831 -2.512 190 3HD1 ILE 24 3HD1 ILE 24 -2.885 -0.802 -3.544 191 H THR 25 H THR 25 -5.774 1.221 -3.858 192 HA THR 25 HA THR 25 -7.132 3.031 -2.090 193 HB THR 25 HB THR 25 -7.194 3.599 -5.061 194 HG1 THR 25 1HG THR 25 -6.021 4.854 -2.832 195 1HG2 THR 25 1HG2 THR 25 -8.971 4.393 -2.813 196 2HG2 THR 25 2HG2 THR 25 -9.354 4.102 -4.510 197 3HG2 THR 25 3HG2 THR 25 -8.585 5.613 -4.026 198 H PHE 26 H PHE 26 -8.006 0.938 -1.535 199 HA PHE 26 HA PHE 26 -10.077 0.038 -3.429 200 1HB PHE 26 1HB PHE 26 -8.414 -1.697 -3.208 201 2HB PHE 26 2HB PHE 26 -8.470 -1.588 -1.452 202 HD1 PHE 26 1HD PHE 26 -10.025 -2.827 -0.210 203 HD2 PHE 26 2HD PHE 26 -10.433 -2.541 -4.438 204 HE1 PHE 26 1HE PHE 26 -11.764 -4.568 -0.157 205 HE2 PHE 26 2HE PHE 26 -12.173 -4.280 -4.391 206 HZ PHE 26 HZ PHE 26 -12.841 -5.296 -2.249 207 H GLU 27 H GLU 27 -9.458 -0.679 -0.006 208 HA GLU 27 HA GLU 27 -11.422 0.952 1.109 209 1HB GLU 27 1HB GLU 27 -12.558 -1.174 -0.335 210 2HB GLU 27 2HB GLU 27 -12.698 -1.625 1.359 211 1HG GLU 27 1HG GLU 27 -14.262 -0.085 1.767 212 2HG GLU 27 2HG GLU 27 -13.446 1.144 0.803 213 H LEU 28 H LEU 28 -10.278 1.172 2.933 214 HA LEU 28 HA LEU 28 -9.477 -1.268 4.374 215 1HB LEU 28 1HB LEU 28 -8.201 1.354 3.969 216 2HB LEU 28 2HB LEU 28 -8.091 0.703 5.603 217 HG LEU 28 HG LEU 28 -6.128 0.209 4.141 218 1HD1 LEU 28 1HD1 LEU 28 -5.785 -1.535 5.467 219 2HD1 LEU 28 2HD1 LEU 28 -7.008 -2.486 4.624 220 3HD1 LEU 28 3HD1 LEU 28 -7.477 -1.430 5.957 221 1HD2 LEU 28 1HD2 LEU 28 -7.956 -0.339 2.215 222 2HD2 LEU 28 2HD2 LEU 28 -7.555 -1.963 2.774 223 3HD2 LEU 28 3HD2 LEU 28 -6.281 -0.892 2.189 224 H ASP 29 H ASP 29 -10.439 2.104 5.035 225 HA ASP 29 HA ASP 29 -11.987 1.101 7.334 226 1HB ASP 29 1HB ASP 29 -9.795 2.606 7.646 227 2HB ASP 29 2HB ASP 29 -10.968 3.894 7.386 228 H GLU 30 H GLU 30 -13.501 3.082 8.071 229 HA GLU 30 HA GLU 30 -14.932 3.934 5.639 230 1HB GLU 30 1HB GLU 30 -16.997 3.872 7.037 231 2HB GLU 30 2HB GLU 30 -16.248 2.298 6.807 232 1HG GLU 30 1HG GLU 30 -15.826 2.038 8.988 233 2HG GLU 30 2HG GLU 30 -15.355 3.723 9.203 234 H ARG 31 H ARG 31 -13.640 4.861 8.723 235 HA ARG 31 HA ARG 31 -14.675 7.591 8.369 236 1HB ARG 31 1HB ARG 31 -15.210 6.531 10.521 237 2HB ARG 31 2HB ARG 31 -13.496 6.283 10.826 238 1HG ARG 31 1HG ARG 31 -14.423 9.049 10.285 239 2HG ARG 31 2HG ARG 31 -14.819 8.325 11.845 240 1HD ARG 31 1HD ARG 31 -12.319 7.698 11.935 241 2HD ARG 31 2HD ARG 31 -12.127 8.900 10.660 242 HE ARG 31 HE ARG 31 -12.643 9.393 13.444 243 1HH1 ARG 31 2HH1 ARG 31 -12.921 10.658 10.213 244 2HH1 ARG 31 1HH1 ARG 31 -12.969 12.312 10.724 245 1HH2 ARG 31 2HH2 ARG 31 -12.705 11.567 14.130 246 2HH2 ARG 31 1HH2 ARG 31 -12.846 12.828 12.953 247 H VAL 32 H VAL 32 -11.736 5.723 8.963 248 HA VAL 32 HA VAL 32 -10.149 8.122 8.320 249 HB VAL 32 HB VAL 32 -8.259 7.004 9.461 250 1HG1 VAL 32 1HG1 VAL 32 -8.869 7.709 11.563 251 2HG1 VAL 32 2HG1 VAL 32 -10.080 8.521 10.570 252 3HG1 VAL 32 3HG1 VAL 32 -10.495 7.040 11.434 253 1HG2 VAL 32 1HG2 VAL 32 -10.115 5.058 10.726 254 2HG2 VAL 32 2HG2 VAL 32 -9.501 4.694 9.113 255 3HG2 VAL 32 3HG2 VAL 32 -8.376 4.947 10.448 256 H ASP 33 H ASP 33 -11.193 6.855 6.178 257 HA ASP 33 HA ASP 33 -9.312 4.896 5.166 258 1HB ASP 33 1HB ASP 33 -10.757 4.715 3.267 259 2HB ASP 33 2HB ASP 33 -11.784 4.808 4.695 260 H LYS 34 H LYS 34 -10.179 8.268 4.583 261 HA LYS 34 HA LYS 34 -8.400 8.621 2.383 262 1HB LYS 34 1HB LYS 34 -9.093 10.832 2.357 263 2HB LYS 34 2HB LYS 34 -10.473 10.030 3.097 264 1HG LYS 34 1HG LYS 34 -8.282 11.415 4.629 265 2HG LYS 34 2HG LYS 34 -9.833 12.144 4.208 266 1HD LYS 34 1HD LYS 34 -10.739 9.923 5.364 267 2HD LYS 34 2HD LYS 34 -9.193 10.046 6.208 268 1HE LYS 34 1HE LYS 34 -10.294 11.407 7.607 269 2HE LYS 34 2HE LYS 34 -10.105 12.613 6.335 270 1HZ LYS 34 1HZ LYS 34 -12.459 11.826 7.393 271 2HZ LYS 34 2HZ LYS 34 -12.389 10.897 5.981 272 3HZ LYS 34 3HZ LYS 34 -12.278 12.582 5.890 273 H VAL 35 H VAL 35 -8.009 8.578 5.790 274 HA VAL 35 HA VAL 35 -5.758 10.261 6.051 275 HB VAL 35 HB VAL 35 -6.415 7.851 7.748 276 1HG1 VAL 35 1HG1 VAL 35 -4.219 8.651 8.220 277 2HG1 VAL 35 2HG1 VAL 35 -4.771 10.327 8.240 278 3HG1 VAL 35 3HG1 VAL 35 -5.276 9.215 9.514 279 1HG2 VAL 35 1HG2 VAL 35 -7.720 10.470 7.490 280 2HG2 VAL 35 2HG2 VAL 35 -8.342 8.949 8.130 281 3HG2 VAL 35 3HG2 VAL 35 -7.338 9.987 9.143 282 H LEU 36 H LEU 36 -6.122 7.230 4.581 283 HA LEU 36 HA LEU 36 -3.214 6.765 4.687 284 1HB LEU 36 1HB LEU 36 -3.566 4.456 4.509 285 2HB LEU 36 2HB LEU 36 -4.739 5.016 5.699 286 HG LEU 36 HG LEU 36 -6.092 5.082 3.256 287 1HD1 LEU 36 1HD1 LEU 36 -4.006 3.536 2.680 288 2HD1 LEU 36 2HD1 LEU 36 -5.622 3.217 2.052 289 3HD1 LEU 36 3HD1 LEU 36 -5.029 2.325 3.453 290 1HD2 LEU 36 1HD2 LEU 36 -6.199 2.860 5.280 291 2HD2 LEU 36 2HD2 LEU 36 -7.503 3.477 4.265 292 3HD2 LEU 36 3HD2 LEU 36 -6.866 4.465 5.581 293 H ASN 37 H ASN 37 -5.582 7.952 2.767 294 HA ASN 37 HA ASN 37 -4.367 6.929 0.290 295 1HB ASN 37 1HB ASN 37 -6.399 6.997 -0.709 296 2HB ASN 37 2HB ASN 37 -7.006 6.980 0.944 297 1HD2 ASN 37 1HD2 ASN 37 -7.593 8.331 -1.850 298 2HD2 ASN 37 2HD2 ASN 37 -8.083 9.918 -1.374 299 H GLU 38 H GLU 38 -4.744 9.692 2.272 300 HA GLU 38 HA GLU 38 -3.697 11.419 0.127 301 1HB GLU 38 1HB GLU 38 -4.803 13.247 1.030 302 2HB GLU 38 2HB GLU 38 -5.956 11.947 1.298 303 1HG GLU 38 1HG GLU 38 -5.141 11.732 3.609 304 2HG GLU 38 2HG GLU 38 -4.051 13.088 3.329 305 H LYS 39 H LYS 39 -3.253 10.259 3.384 306 HA LYS 39 HA LYS 39 -1.080 12.045 3.990 307 1HB LYS 39 1HB LYS 39 -2.701 10.881 5.640 308 2HB LYS 39 2HB LYS 39 -1.653 9.481 5.451 309 1HG LYS 39 1HG LYS 39 -0.784 10.488 7.326 310 2HG LYS 39 2HG LYS 39 0.247 11.141 6.050 311 1HD LYS 39 1HD LYS 39 -0.382 12.944 7.495 312 2HD LYS 39 2HD LYS 39 -1.247 13.140 5.968 313 1HE LYS 39 1HE LYS 39 -3.279 12.473 6.897 314 2HE LYS 39 2HE LYS 39 -2.502 11.697 8.276 315 1HZ LYS 39 1HZ LYS 39 -2.066 13.746 9.271 316 2HZ LYS 39 2HZ LYS 39 -3.641 13.911 8.677 317 3HZ LYS 39 3HZ LYS 39 -2.346 14.619 7.849 318 H CYS 40 H CYS 40 -1.453 8.888 2.586 319 HA CYS 40 HA CYS 40 1.081 8.819 1.447 320 1HB CYS 40 1HB CYS 40 1.072 8.042 4.219 321 2HB CYS 40 2HB CYS 40 1.511 6.665 3.217 322 HG CYS 40 HG CYS 40 3.944 7.367 2.818 323 H SER 41 H SER 41 -0.176 8.086 -0.270 324 HA SER 41 HA SER 41 -1.200 5.335 0.001 325 1HB SER 41 1HB SER 41 -2.703 7.470 -0.664 326 2HB SER 41 2HB SER 41 -2.132 7.008 -2.267 327 HG SER 41 HG SER 41 -3.488 5.419 -2.216 328 H VAL 42 H VAL 42 1.215 7.203 -1.328 329 HA VAL 42 HA VAL 42 1.580 5.436 -3.646 330 HB VAL 42 HB VAL 42 1.706 7.717 -4.297 331 1HG1 VAL 42 1HG1 VAL 42 3.720 9.031 -3.101 332 2HG1 VAL 42 2HG1 VAL 42 2.047 9.108 -2.547 333 3HG1 VAL 42 3HG1 VAL 42 3.188 8.015 -1.761 334 1HG2 VAL 42 1HG2 VAL 42 4.543 6.739 -3.996 335 2HG2 VAL 42 2HG2 VAL 42 3.420 6.207 -5.247 336 3HG2 VAL 42 3HG2 VAL 42 3.944 7.890 -5.191 337 H TYR 43 H TYR 43 3.390 4.187 -3.902 338 HA TYR 43 HA TYR 43 5.507 4.309 -1.901 339 1HB TYR 43 1HB TYR 43 4.215 1.655 -2.484 340 2HB TYR 43 2HB TYR 43 5.310 2.079 -1.173 341 HD1 TYR 43 1HD TYR 43 1.858 2.511 -2.437 342 HD2 TYR 43 2HD TYR 43 4.485 2.911 0.886 343 HE1 TYR 43 1HE TYR 43 -0.072 2.920 -0.968 344 HE2 TYR 43 2HE TYR 43 2.563 3.320 2.364 345 HH TYR 43 HH TYR 43 -0.759 3.332 1.098 346 H THR 44 H THR 44 7.369 2.950 -2.478 347 HA THR 44 HA THR 44 7.743 2.945 -5.373 348 HB THR 44 HB THR 44 10.012 2.176 -3.648 349 HG1 THR 44 1HG THR 44 8.844 4.775 -3.535 350 1HG2 THR 44 1HG2 THR 44 9.503 3.914 -6.030 351 2HG2 THR 44 2HG2 THR 44 10.621 2.562 -5.848 352 3HG2 THR 44 3HG2 THR 44 10.986 4.115 -5.098 353 H VAL 45 H VAL 45 8.487 1.155 -6.532 354 HA VAL 45 HA VAL 45 8.563 -1.424 -5.152 355 HB VAL 45 HB VAL 45 6.302 -1.413 -5.851 356 1HG1 VAL 45 1HG1 VAL 45 6.286 -1.082 -8.624 357 2HG1 VAL 45 2HG1 VAL 45 5.657 0.034 -7.411 358 3HG1 VAL 45 3HG1 VAL 45 7.308 0.214 -8.004 359 1HG2 VAL 45 1HG2 VAL 45 6.195 -3.283 -7.272 360 2HG2 VAL 45 2HG2 VAL 45 7.680 -2.837 -8.111 361 3HG2 VAL 45 3HG2 VAL 45 7.748 -3.422 -6.449 362 H GLU 46 H GLU 46 10.564 -2.087 -5.615 363 HA GLU 46 HA GLU 46 12.109 -1.333 -7.803 364 1HB GLU 46 1HB GLU 46 12.582 -2.743 -5.539 365 2HB GLU 46 2HB GLU 46 12.607 -4.039 -6.726 366 1HG GLU 46 1HG GLU 46 14.140 -1.743 -7.597 367 2HG GLU 46 2HG GLU 46 14.704 -2.374 -6.050 368 H SER 47 H SER 47 13.098 -3.202 -9.271 369 HA SER 47 HA SER 47 10.878 -4.088 -10.916 370 1HB SER 47 1HB SER 47 13.044 -2.975 -11.769 371 2HB SER 47 2HB SER 47 13.793 -4.552 -11.520 372 HG SER 47 HG SER 47 11.857 -5.290 -12.838 373 H GLY 48 H GLY 48 12.392 -5.352 -8.321 374 1HA GLY 48 2HA GLY 48 12.142 -8.119 -9.330 375 2HA GLY 48 1HA GLY 48 13.288 -7.639 -8.087 376 H THR 49 H THR 49 10.937 -5.824 -7.125 377 HA THR 49 HA THR 49 10.179 -7.296 -4.922 378 HB THR 49 HB THR 49 8.170 -5.398 -6.035 379 HG1 THR 49 1HG THR 49 10.500 -4.349 -4.851 380 1HG2 THR 49 1HG2 THR 49 7.623 -5.993 -3.876 381 2HG2 THR 49 2HG2 THR 49 8.578 -4.539 -3.588 382 3HG2 THR 49 3HG2 THR 49 9.307 -6.130 -3.373 383 H GLU 50 H GLU 50 8.432 -8.573 -4.370 384 HA GLU 50 HA GLU 50 7.020 -9.778 -6.641 385 1HB GLU 50 1HB GLU 50 7.066 -10.861 -3.834 386 2HB GLU 50 2HB GLU 50 6.733 -11.720 -5.332 387 1HG GLU 50 1HG GLU 50 8.841 -12.384 -5.321 388 2HG GLU 50 2HG GLU 50 9.301 -10.717 -5.658 389 H VAL 51 H VAL 51 4.754 -10.570 -6.112 390 HA VAL 51 HA VAL 51 3.150 -8.330 -5.426 391 HB VAL 51 HB VAL 51 2.139 -11.160 -5.608 392 1HG1 VAL 51 1HG1 VAL 51 0.948 -8.445 -6.126 393 2HG1 VAL 51 2HG1 VAL 51 0.179 -9.949 -6.634 394 3HG1 VAL 51 3HG1 VAL 51 0.459 -9.635 -4.921 395 1HG2 VAL 51 1HG2 VAL 51 1.846 -10.680 -8.061 396 2HG2 VAL 51 2HG2 VAL 51 2.924 -9.301 -7.845 397 3HG2 VAL 51 3HG2 VAL 51 3.511 -10.936 -7.537 398 H THR 52 H THR 52 4.623 -10.743 -3.559 399 HA THR 52 HA THR 52 2.673 -10.601 -1.399 400 HB THR 52 HB THR 52 3.586 -12.787 -1.773 401 HG1 THR 52 1HG THR 52 4.963 -11.819 0.514 402 1HG2 THR 52 1HG2 THR 52 5.639 -12.273 -2.903 403 2HG2 THR 52 2HG2 THR 52 6.035 -13.207 -1.460 404 3HG2 THR 52 3HG2 THR 52 6.280 -11.460 -1.476 405 H GLU 53 H GLU 53 5.755 -9.286 -2.300 406 HA GLU 53 HA GLU 53 6.680 -8.497 0.238 407 1HB GLU 53 1HB GLU 53 7.741 -8.433 -2.234 408 2HB GLU 53 2HB GLU 53 7.279 -6.744 -2.077 409 1HG GLU 53 1HG GLU 53 8.568 -7.543 0.324 410 2HG GLU 53 2HG GLU 53 9.559 -8.053 -1.042 411 H PHE 54 H PHE 54 4.450 -7.016 -2.030 412 HA PHE 54 HA PHE 54 4.322 -4.483 -0.746 413 1HB PHE 54 1HB PHE 54 2.106 -5.677 -2.400 414 2HB PHE 54 2HB PHE 54 2.550 -3.982 -2.226 415 HD1 PHE 54 1HD PHE 54 5.275 -3.747 -2.816 416 HD2 PHE 54 2HD PHE 54 2.460 -6.444 -4.523 417 HE1 PHE 54 1HE PHE 54 6.657 -3.900 -4.846 418 HE2 PHE 54 2HE PHE 54 3.838 -6.603 -6.555 419 HZ PHE 54 HZ PHE 54 5.940 -5.330 -6.718 420 H ALA 55 H ALA 55 2.896 -7.551 -0.114 421 HA ALA 55 HA ALA 55 0.683 -6.565 1.430 422 1HB ALA 55 1HB ALA 55 -0.014 -8.630 1.016 423 2HB ALA 55 2HB ALA 55 1.588 -9.106 0.452 424 3HB ALA 55 3HB ALA 55 1.186 -9.222 2.165 425 H CYS 56 H CYS 56 3.921 -6.556 1.991 426 HA CYS 56 HA CYS 56 3.550 -6.790 4.906 427 1HB CYS 56 1HB CYS 56 5.298 -8.243 3.322 428 2HB CYS 56 2HB CYS 56 6.315 -6.971 3.989 429 HG CYS 56 HG CYS 56 4.323 -8.683 6.128 430 H VAL 57 H VAL 57 3.929 -4.636 2.468 431 HA VAL 57 HA VAL 57 5.499 -2.763 4.114 432 HB VAL 57 HB VAL 57 6.349 -3.300 1.794 433 1HG1 VAL 57 1HG1 VAL 57 3.805 -3.044 0.987 434 2HG1 VAL 57 2HG1 VAL 57 4.390 -1.416 0.638 435 3HG1 VAL 57 3HG1 VAL 57 5.186 -2.814 -0.085 436 1HG2 VAL 57 1HG2 VAL 57 7.092 -1.326 2.975 437 2HG2 VAL 57 2HG2 VAL 57 6.868 -0.942 1.269 438 3HG2 VAL 57 3HG2 VAL 57 5.661 -0.438 2.452 439 H VAL 58 H VAL 58 2.425 -3.393 2.703 440 HA VAL 58 HA VAL 58 1.512 -0.644 3.095 441 HB VAL 58 HB VAL 58 -0.002 -3.021 2.004 442 1HG1 VAL 58 1HG1 VAL 58 -0.661 -0.078 2.034 443 2HG1 VAL 58 2HG1 VAL 58 -1.578 -1.316 1.174 444 3HG1 VAL 58 3HG1 VAL 58 -1.486 -1.349 2.935 445 1HG2 VAL 58 1HG2 VAL 58 0.502 -1.023 0.048 446 2HG2 VAL 58 2HG2 VAL 58 2.034 -1.441 0.815 447 3HG2 VAL 58 3HG2 VAL 58 1.047 -2.700 0.073 448 H ALA 59 H ALA 59 0.756 -3.937 4.189 449 HA ALA 59 HA ALA 59 -1.335 -3.341 5.922 450 1HB ALA 59 1HB ALA 59 0.748 -5.511 6.041 451 2HB ALA 59 2HB ALA 59 -0.639 -5.433 7.128 452 3HB ALA 59 3HB ALA 59 -0.889 -5.612 5.391 453 H GLU 60 H GLU 60 2.061 -2.767 6.253 454 HA GLU 60 HA GLU 60 1.808 -2.219 9.113 455 1HB GLU 60 1HB GLU 60 4.382 -1.723 7.745 456 2HB GLU 60 2HB GLU 60 4.057 -2.510 9.283 457 1HG GLU 60 1HG GLU 60 3.734 -3.720 6.547 458 2HG GLU 60 2HG GLU 60 4.997 -4.086 7.721 459 H ALA 61 H ALA 61 2.989 -0.583 6.175 460 HA ALA 61 HA ALA 61 3.481 1.920 7.199 461 1HB ALA 61 1HB ALA 61 2.787 2.737 4.867 462 2HB ALA 61 2HB ALA 61 4.111 1.576 4.979 463 3HB ALA 61 3HB ALA 61 2.500 1.034 4.508 464 H VAL 62 H VAL 62 0.397 0.451 6.418 465 HA VAL 62 HA VAL 62 -1.179 2.797 6.529 466 HB VAL 62 HB VAL 62 -3.092 1.244 6.904 467 1HG1 VAL 62 1HG1 VAL 62 -2.922 1.462 4.671 468 2HG1 VAL 62 2HG1 VAL 62 -1.191 1.121 4.665 469 3HG1 VAL 62 3HG1 VAL 62 -2.352 -0.205 4.741 470 1HG2 VAL 62 1HG2 VAL 62 -2.557 -0.628 8.027 471 2HG2 VAL 62 2HG2 VAL 62 -2.127 -1.255 6.436 472 3HG2 VAL 62 3HG2 VAL 62 -0.878 -0.592 7.488 473 H VAL 63 H VAL 63 -0.182 0.452 8.970 474 HA VAL 63 HA VAL 63 -1.794 1.157 11.089 475 HB VAL 63 HB VAL 63 1.123 0.376 11.156 476 1HG1 VAL 63 1HG1 VAL 63 -0.178 -0.409 13.522 477 2HG1 VAL 63 2HG1 VAL 63 1.101 0.793 13.337 478 3HG1 VAL 63 3HG1 VAL 63 -0.591 1.286 13.264 479 1HG2 VAL 63 1HG2 VAL 63 0.314 -1.854 11.591 480 2HG2 VAL 63 2HG2 VAL 63 -1.355 -1.285 11.610 481 3HG2 VAL 63 3HG2 VAL 63 -0.427 -1.249 10.110 482 H LYS 64 H LYS 64 1.556 2.336 10.790 483 HA LYS 64 HA LYS 64 1.405 4.366 12.645 484 1HB LYS 64 1HB LYS 64 3.249 5.459 11.261 485 2HB LYS 64 2HB LYS 64 3.544 3.818 11.822 486 1HG LYS 64 1HG LYS 64 2.396 3.377 9.390 487 2HG LYS 64 2HG LYS 64 3.301 4.865 9.105 488 1HD LYS 64 1HD LYS 64 4.936 3.336 8.653 489 2HD LYS 64 2HD LYS 64 5.193 3.529 10.389 490 1HE LYS 64 1HE LYS 64 3.265 1.569 10.254 491 2HE LYS 64 2HE LYS 64 4.295 1.207 8.870 492 1HZ LYS 64 1HZ LYS 64 5.893 1.812 11.114 493 2HZ LYS 64 2HZ LYS 64 5.817 0.376 10.224 494 3HZ LYS 64 3HZ LYS 64 4.776 0.614 11.536 495 H THR 65 H THR 65 0.817 4.610 9.144 496 HA THR 65 HA THR 65 0.252 7.319 8.995 497 HB THR 65 HB THR 65 -1.105 5.148 7.386 498 HG1 THR 65 1HG THR 65 0.743 4.923 6.379 499 1HG2 THR 65 1HG2 THR 65 -0.472 7.970 6.548 500 2HG2 THR 65 2HG2 THR 65 -2.014 7.518 7.274 501 3HG2 THR 65 3HG2 THR 65 -1.516 6.800 5.742 502 H LEU 66 H LEU 66 -1.755 4.673 10.098 503 HA LEU 66 HA LEU 66 -3.927 6.591 10.633 504 1HB LEU 66 1HB LEU 66 -4.198 3.604 10.385 505 2HB LEU 66 2HB LEU 66 -5.494 4.793 10.487 506 HG LEU 66 HG LEU 66 -3.709 4.149 8.163 507 1HD1 LEU 66 1HD1 LEU 66 -6.216 3.310 8.864 508 2HD1 LEU 66 2HD1 LEU 66 -5.556 3.307 7.230 509 3HD1 LEU 66 3HD1 LEU 66 -6.558 4.653 7.772 510 1HD2 LEU 66 1HD2 LEU 66 -5.220 6.189 7.237 511 2HD2 LEU 66 2HD2 LEU 66 -3.558 6.365 7.799 512 3HD2 LEU 66 3HD2 LEU 66 -4.899 6.742 8.881 513 H GLN 67 H GLN 67 -2.257 6.888 12.516 514 HA GLN 67 HA GLN 67 -3.176 5.178 14.730 515 1HB GLN 67 1HB GLN 67 -0.414 6.010 13.985 516 2HB GLN 67 2HB GLN 67 -0.808 5.908 15.696 517 1HG GLN 67 1HG GLN 67 -1.803 3.556 14.603 518 2HG GLN 67 2HG GLN 67 -0.253 3.808 13.802 519 1HE2 GLN 67 1HE2 GLN 67 -1.663 2.351 16.339 520 2HE2 GLN 67 2HE2 GLN 67 -0.330 2.283 17.436 521 HA PRO 68 HA PRO 68 -3.518 9.916 15.387 522 1HB PRO 68 1HB PRO 68 -6.138 10.268 14.769 523 2HB PRO 68 2HB PRO 68 -4.839 10.450 13.585 524 1HG PRO 68 1HG PRO 68 -6.656 8.119 14.060 525 2HG PRO 68 2HG PRO 68 -6.132 8.834 12.524 526 1HD PRO 68 1HD PRO 68 -5.021 6.581 13.538 527 2HD PRO 68 2HD PRO 68 -4.098 7.749 12.569 528 H VAL 69 H VAL 69 -6.179 7.576 15.834 529 HA VAL 69 HA VAL 69 -5.986 7.832 18.706 530 HB VAL 69 HB VAL 69 -8.519 8.314 18.828 531 1HG1 VAL 69 1HG1 VAL 69 -6.402 9.836 19.295 532 2HG1 VAL 69 2HG1 VAL 69 -7.064 10.743 17.934 533 3HG1 VAL 69 3HG1 VAL 69 -8.043 10.475 19.377 534 1HG2 VAL 69 1HG2 VAL 69 -9.516 9.514 17.053 535 2HG2 VAL 69 2HG2 VAL 69 -7.982 9.673 16.198 536 3HG2 VAL 69 3HG2 VAL 69 -8.766 8.097 16.317 537 H SER 70 H SER 70 -5.407 5.568 17.876 538 HA SER 70 HA SER 70 -7.546 3.857 17.060 539 1HB SER 70 1HB SER 70 -4.780 3.238 18.120 540 2HB SER 70 2HB SER 70 -5.897 2.025 17.495 541 HG SER 70 HG SER 70 -4.404 3.935 16.148 542 H ASP 71 H ASP 71 -6.802 5.260 19.980 543 HA ASP 71 HA ASP 71 -7.381 3.131 21.774 544 1HB ASP 71 1HB ASP 71 -6.983 6.054 21.962 545 2HB ASP 71 2HB ASP 71 -7.990 5.343 23.220 546 H LEU 72 H LEU 72 -9.322 5.119 19.787 547 HA LEU 72 HA LEU 72 -11.731 4.624 21.367 548 1HB LEU 72 1HB LEU 72 -12.811 6.234 20.045 549 2HB LEU 72 2HB LEU 72 -11.200 6.877 20.355 550 HG LEU 72 HG LEU 72 -10.716 5.746 17.998 551 1HD1 LEU 72 1HD1 LEU 72 -12.958 6.540 16.726 552 2HD1 LEU 72 2HD1 LEU 72 -13.647 5.880 18.209 553 3HD1 LEU 72 3HD1 LEU 72 -12.623 4.871 17.188 554 1HD2 LEU 72 1HD2 LEU 72 -12.164 8.378 18.159 555 2HD2 LEU 72 2HD2 LEU 72 -10.901 7.895 17.026 556 3HD2 LEU 72 3HD2 LEU 72 -10.509 8.154 18.726 557 H LEU 73 H LEU 73 -10.296 3.873 18.236 558 HA LEU 73 HA LEU 73 -12.424 2.627 16.985 559 1HB LEU 73 1HB LEU 73 -9.465 2.187 16.883 560 2HB LEU 73 2HB LEU 73 -10.555 1.156 15.957 561 HG LEU 73 HG LEU 73 -11.429 3.251 14.864 562 1HD1 LEU 73 1HD1 LEU 73 -9.381 4.405 16.647 563 2HD1 LEU 73 2HD1 LEU 73 -10.874 5.106 16.024 564 3HD1 LEU 73 3HD1 LEU 73 -9.438 5.040 15.003 565 1HD2 LEU 73 1HD2 LEU 73 -8.635 2.235 14.543 566 2HD2 LEU 73 2HD2 LEU 73 -9.222 3.558 13.535 567 3HD2 LEU 73 3HD2 LEU 73 -10.041 1.995 13.505 568 H THR 74 H THR 74 -10.119 1.281 19.309 569 HA THR 74 HA THR 74 -10.942 -1.388 19.200 570 HB THR 74 HB THR 74 -10.176 -0.396 21.873 571 HG1 THR 74 1HG THR 74 -8.636 0.843 21.128 572 1HG2 THR 74 1HG2 THR 74 -8.337 -2.193 21.285 573 2HG2 THR 74 2HG2 THR 74 -9.490 -2.633 20.026 574 3HG2 THR 74 3HG2 THR 74 -9.975 -2.679 21.721 575 H ASN 75 H ASN 75 -12.500 1.371 20.519 576 HA ASN 75 HA ASN 75 -14.161 -0.071 22.376 577 1HB ASN 75 1HB ASN 75 -14.544 1.978 23.188 578 2HB ASN 75 2HB ASN 75 -13.512 2.633 21.921 579 1HD2 ASN 75 1HD2 ASN 75 -14.391 3.977 20.514 580 2HD2 ASN 75 2HD2 ASN 75 -16.085 4.217 20.272 581 H MET 76 H MET 76 -14.347 0.964 19.051 582 HA MET 76 HA MET 76 -17.171 0.276 18.865 583 1HB MET 76 1HB MET 76 -17.067 1.138 16.614 584 2HB MET 76 2HB MET 76 -16.284 2.281 17.697 585 1HG MET 76 1HG MET 76 -14.153 1.738 16.923 586 2HG MET 76 2HG MET 76 -14.704 0.233 16.192 587 1HE MET 76 1HE MET 76 -13.365 3.609 14.458 588 2HE MET 76 2HE MET 76 -14.850 4.467 14.869 589 3HE MET 76 3HE MET 76 -13.929 3.645 16.129 590 H GLY 77 H GLY 77 -14.170 -1.240 18.541 591 1HA GLY 77 2HA GLY 77 -14.530 -3.741 18.303 592 2HA GLY 77 1HA GLY 77 -15.316 -3.321 16.789 593 H ILE 78 H ILE 78 -13.619 -1.406 15.784 594 HA ILE 78 HA ILE 78 -11.626 -2.943 14.569 595 HB ILE 78 HB ILE 78 -11.768 0.063 14.834 596 1HG1 ILE 78 1HG1 ILE 78 -12.533 -1.561 12.421 597 2HG1 ILE 78 2HG1 ILE 78 -13.688 -1.278 13.719 598 1HG2 ILE 78 1HG2 ILE 78 -10.333 0.065 12.813 599 2HG2 ILE 78 2HG2 ILE 78 -9.533 -0.594 14.238 600 3HG2 ILE 78 3HG2 ILE 78 -10.142 -1.679 12.988 601 1HD1 ILE 78 1HD1 ILE 78 -12.599 0.585 11.705 602 2HD1 ILE 78 2HD1 ILE 78 -14.215 0.477 12.403 603 3HD1 ILE 78 3HD1 ILE 78 -12.909 1.232 13.316 604 H ASP 79 H ASP 79 -9.687 -3.586 15.223 605 HA ASP 79 HA ASP 79 -8.342 -2.077 17.363 606 1HB ASP 79 1HB ASP 79 -9.451 -4.402 17.939 607 2HB ASP 79 2HB ASP 79 -7.995 -5.041 17.181 608 H LEU 80 H LEU 80 -6.684 -1.129 16.354 609 HA LEU 80 HA LEU 80 -5.440 -1.862 14.018 610 1HB LEU 80 1HB LEU 80 -5.051 0.060 16.015 611 2HB LEU 80 2HB LEU 80 -3.504 -0.767 15.848 612 HG LEU 80 HG LEU 80 -3.868 -0.298 13.297 613 1HD1 LEU 80 1HD1 LEU 80 -5.059 2.241 13.899 614 2HD1 LEU 80 2HD1 LEU 80 -6.145 0.933 14.366 615 3HD1 LEU 80 3HD1 LEU 80 -5.543 1.030 12.711 616 1HD2 LEU 80 1HD2 LEU 80 -3.162 2.000 15.107 617 2HD2 LEU 80 2HD2 LEU 80 -2.539 1.655 13.493 618 3HD2 LEU 80 3HD2 LEU 80 -2.104 0.613 14.849 619 H ASP 81 H ASP 81 -4.922 -3.108 17.237 620 HA ASP 81 HA ASP 81 -2.455 -4.326 16.997 621 1HB ASP 81 1HB ASP 81 -4.646 -4.450 18.789 622 2HB ASP 81 2HB ASP 81 -4.226 -6.110 18.376 623 H GLU 82 H GLU 82 -5.451 -5.158 15.484 624 HA GLU 82 HA GLU 82 -4.538 -7.808 14.716 625 1HB GLU 82 1HB GLU 82 -6.698 -8.206 13.935 626 2HB GLU 82 2HB GLU 82 -6.963 -7.139 15.307 627 1HG GLU 82 1HG GLU 82 -6.868 -5.261 13.501 628 2HG GLU 82 2HG GLU 82 -7.235 -6.582 12.394 629 H TRP 83 H TRP 83 -4.885 -4.612 13.348 630 HA TRP 83 HA TRP 83 -4.735 -5.157 10.637 631 1HB TRP 83 1HB TRP 83 -3.759 -2.850 12.299 632 2HB TRP 83 2HB TRP 83 -3.484 -2.888 10.560 633 HD1 TRP 83 HD TRP 83 -6.766 -4.331 11.752 634 HE1 TRP 83 1HE TRP 83 -8.681 -2.736 11.110 635 HE3 TRP 83 3HE TRP 83 -3.997 -0.315 10.223 636 HZ2 TRP 83 2HZ TRP 83 -8.978 -0.121 10.089 637 HZ3 TRP 83 3HZ TRP 83 -5.173 1.694 9.427 638 HH2 TRP 83 HH TRP 83 -7.612 1.787 9.362 639 H SER 84 H SER 84 -2.249 -5.292 13.073 640 HA SER 84 HA SER 84 -0.093 -5.470 11.155 641 1HB SER 84 1HB SER 84 0.387 -6.305 13.955 642 2HB SER 84 2HB SER 84 1.309 -5.205 12.930 643 HG SER 84 HG SER 84 0.285 -4.091 14.632 644 H VAL 85 H VAL 85 -2.193 -7.620 12.871 645 HA VAL 85 HA VAL 85 -0.663 -9.920 11.839 646 HB VAL 85 HB VAL 85 -1.651 -11.270 13.644 647 1HG1 VAL 85 1HG1 VAL 85 -0.045 -10.715 15.157 648 2HG1 VAL 85 2HG1 VAL 85 0.512 -9.731 13.801 649 3HG1 VAL 85 3HG1 VAL 85 -0.428 -8.995 15.100 650 1HG2 VAL 85 1HG2 VAL 85 -3.499 -9.270 13.850 651 2HG2 VAL 85 2HG2 VAL 85 -3.250 -10.546 15.041 652 3HG2 VAL 85 3HG2 VAL 85 -2.480 -8.974 15.258 653 H ALA 86 H ALA 86 -2.532 -8.534 10.260 654 HA ALA 86 HA ALA 86 -4.783 -10.434 10.154 655 1HB ALA 86 1HB ALA 86 -5.664 -8.434 8.607 656 2HB ALA 86 2HB ALA 86 -5.927 -8.492 10.351 657 3HB ALA 86 3HB ALA 86 -4.612 -7.521 9.689 658 H THR 87 H THR 87 -5.717 -10.391 7.759 659 HA THR 87 HA THR 87 -3.455 -11.128 6.035 660 HB THR 87 HB THR 87 -6.319 -11.873 5.500 661 HG1 THR 87 1HG THR 87 -6.169 -12.921 7.356 662 1HG2 THR 87 1HG2 THR 87 -5.324 -13.715 4.282 663 2HG2 THR 87 2HG2 THR 87 -3.714 -13.244 4.825 664 3HG2 THR 87 3HG2 THR 87 -4.616 -12.198 3.730 665 H PHE 88 H PHE 88 -2.908 -9.690 4.543 666 HA PHE 88 HA PHE 88 -5.011 -7.971 3.403 667 1HB PHE 88 1HB PHE 88 -2.163 -7.457 4.128 668 2HB PHE 88 2HB PHE 88 -2.835 -6.595 2.748 669 HD1 PHE 88 1HD PHE 88 -3.205 -4.415 3.382 670 HD2 PHE 88 2HD PHE 88 -4.319 -7.558 6.028 671 HE1 PHE 88 1HE PHE 88 -4.218 -2.769 4.904 672 HE2 PHE 88 2HE PHE 88 -5.335 -5.917 7.554 673 HZ PHE 88 HZ PHE 88 -5.286 -3.519 6.993 674 H TYR 89 H TYR 89 -5.471 -8.225 1.322 675 HA TYR 89 HA TYR 89 -3.569 -9.725 -0.352 676 1HB TYR 89 1HB TYR 89 -6.576 -9.485 -0.572 677 2HB TYR 89 2HB TYR 89 -5.554 -10.321 -1.736 678 HD1 TYR 89 1HD TYR 89 -4.493 -12.445 -1.163 679 HD2 TYR 89 2HD TYR 89 -7.049 -10.452 1.593 680 HE1 TYR 89 1HE TYR 89 -4.656 -14.507 0.168 681 HE2 TYR 89 2HE TYR 89 -7.218 -12.508 2.933 682 HH TYR 89 HH TYR 89 -5.198 -15.245 2.361 683 H LEU 90 H LEU 90 -4.378 -9.227 -2.834 684 HA LEU 90 HA LEU 90 -4.736 -6.377 -3.242 685 1HB LEU 90 1HB LEU 90 -2.251 -7.829 -4.137 686 2HB LEU 90 2HB LEU 90 -2.723 -6.221 -4.685 687 HG LEU 90 HG LEU 90 -2.064 -6.956 -1.832 688 1HD1 LEU 90 1HD1 LEU 90 0.048 -6.910 -2.559 689 2HD1 LEU 90 2HD1 LEU 90 -0.181 -5.167 -2.689 690 3HD1 LEU 90 3HD1 LEU 90 -0.400 -6.193 -4.107 691 1HD2 LEU 90 1HD2 LEU 90 -3.531 -4.815 -2.848 692 2HD2 LEU 90 2HD2 LEU 90 -1.920 -4.163 -2.543 693 3HD2 LEU 90 3HD2 LEU 90 -2.815 -4.949 -1.242 694 H PHE 91 H PHE 91 -5.163 -5.823 -5.463 695 HA PHE 91 HA PHE 91 -5.447 -7.920 -7.415 696 1HB PHE 91 1HB PHE 91 -7.745 -6.984 -5.825 697 2HB PHE 91 2HB PHE 91 -8.008 -6.998 -7.565 698 HD1 PHE 91 1HD PHE 91 -7.779 -8.965 -4.576 699 HD2 PHE 91 2HD PHE 91 -7.654 -9.142 -8.827 700 HE1 PHE 91 1HE PHE 91 -8.214 -11.385 -4.485 701 HE2 PHE 91 2HE PHE 91 -8.090 -11.562 -8.742 702 HZ PHE 91 HZ PHE 91 -8.372 -12.686 -6.569 703 H ASP 92 H ASP 92 -6.658 -6.977 -9.414 704 HA ASP 92 HA ASP 92 -5.731 -4.203 -9.779 705 1HB ASP 92 1HB ASP 92 -5.159 -6.578 -11.271 706 2HB ASP 92 2HB ASP 92 -6.055 -5.465 -12.301 707 H ASP 93 H ASP 93 -6.900 -3.668 -12.212 708 HA ASP 93 HA ASP 93 -9.662 -3.291 -11.406 709 1HB ASP 93 1HB ASP 93 -7.817 -1.784 -12.883 710 2HB ASP 93 2HB ASP 93 -9.036 -2.292 -14.050 711 H ALA 94 H ALA 94 -8.076 -5.721 -12.875 712 HA ALA 94 HA ALA 94 -10.324 -6.356 -14.673 713 1HB ALA 94 1HB ALA 94 -8.259 -8.088 -15.321 714 2HB ALA 94 2HB ALA 94 -8.748 -6.650 -16.217 715 3HB ALA 94 3HB ALA 94 -7.456 -6.547 -15.021 716 H GLY 95 H GLY 95 -8.429 -7.389 -11.956 717 1HA GLY 95 2HA GLY 95 -9.613 -8.878 -10.390 718 2HA GLY 95 1HA GLY 95 -10.093 -9.826 -11.789 719 H GLU 96 H GLU 96 -6.882 -8.487 -11.436 720 HA GLU 96 HA GLU 96 -5.857 -11.191 -10.878 721 1HB GLU 96 1HB GLU 96 -3.917 -10.641 -12.342 722 2HB GLU 96 2HB GLU 96 -5.445 -10.747 -13.205 723 1HG GLU 96 1HG GLU 96 -4.400 -8.112 -12.251 724 2HG GLU 96 2HG GLU 96 -3.834 -8.825 -13.761 725 H GLU 97 H GLU 97 -4.071 -11.350 -9.545 726 HA GLU 97 HA GLU 97 -3.570 -9.005 -7.891 727 1HB GLU 97 1HB GLU 97 -4.083 -11.350 -6.987 728 2HB GLU 97 2HB GLU 97 -2.439 -11.761 -7.457 729 1HG GLU 97 1HG GLU 97 -1.510 -10.570 -5.781 730 2HG GLU 97 2HG GLU 97 -2.763 -9.331 -5.818 731 H ASN 98 H ASN 98 -2.350 -7.886 -9.554 732 HA ASN 98 HA ASN 98 0.424 -8.864 -9.737 733 1HB ASN 98 1HB ASN 98 0.590 -7.713 -11.915 734 2HB ASN 98 2HB ASN 98 -0.646 -8.968 -11.929 735 1HD2 ASN 98 1HD2 ASN 98 -1.952 -8.178 -13.478 736 2HD2 ASN 98 2HD2 ASN 98 -2.791 -6.671 -13.372 737 H PHE 99 H PHE 99 1.641 -6.657 -10.769 738 HA PHE 99 HA PHE 99 1.179 -4.612 -8.698 739 1HB PHE 99 1HB PHE 99 3.695 -4.128 -9.100 740 2HB PHE 99 2HB PHE 99 3.250 -5.529 -8.131 741 HD1 PHE 99 1HD PHE 99 4.626 -4.386 -11.317 742 HD2 PHE 99 2HD PHE 99 3.583 -7.772 -8.958 743 HE1 PHE 99 1HE PHE 99 5.932 -5.831 -12.821 744 HE2 PHE 99 2HE PHE 99 4.888 -9.222 -10.458 745 HZ PHE 99 HZ PHE 99 6.065 -8.253 -12.391 746 H SER 100 H SER 100 -0.308 -4.195 -10.809 747 HA SER 100 HA SER 100 1.047 -2.729 -12.886 748 1HB SER 100 1HB SER 100 -1.050 -4.055 -13.267 749 2HB SER 100 2HB SER 100 -1.923 -2.853 -12.316 750 HG SER 100 HG SER 100 -0.414 -2.273 -14.649 751 H SER 101 H SER 101 -0.163 -0.515 -13.446 752 HA SER 101 HA SER 101 0.787 1.401 -11.705 753 1HB SER 101 1HB SER 101 -0.373 1.459 -14.174 754 2HB SER 101 2HB SER 101 -1.627 2.215 -13.191 755 HG SER 101 HG SER 101 1.101 2.998 -13.188 756 H ARG 102 H ARG 102 -2.490 0.064 -11.914 757 HA ARG 102 HA ARG 102 -3.200 1.496 -9.452 758 1HB ARG 102 1HB ARG 102 -4.735 1.819 -11.318 759 2HB ARG 102 2HB ARG 102 -4.942 0.080 -11.476 760 1HG ARG 102 1HG ARG 102 -6.741 0.342 -10.194 761 2HG ARG 102 2HG ARG 102 -5.609 0.530 -8.854 762 1HD ARG 102 1HD ARG 102 -6.941 2.681 -10.482 763 2HD ARG 102 2HD ARG 102 -7.095 2.374 -8.752 764 HE ARG 102 HE ARG 102 -4.472 2.904 -9.013 765 1HH1 ARG 102 2HH1 ARG 102 -7.325 4.559 -10.129 766 2HH1 ARG 102 1HH1 ARG 102 -6.599 6.130 -10.060 767 1HH2 ARG 102 2HH2 ARG 102 -3.505 4.968 -8.918 768 2HH2 ARG 102 1HH2 ARG 102 -4.426 6.362 -9.372 769 H MET 103 H MET 103 -3.325 0.445 -7.580 770 HA MET 103 HA MET 103 -3.605 -2.486 -7.633 771 1HB MET 103 1HB MET 103 -1.286 -1.758 -7.079 772 2HB MET 103 2HB MET 103 -1.925 -0.905 -5.680 773 1HG MET 103 1HG MET 103 -2.590 -2.926 -4.640 774 2HG MET 103 2HG MET 103 -2.291 -3.854 -6.108 775 1HE MET 103 1HE MET 103 -0.387 -4.409 -7.085 776 2HE MET 103 2HE MET 103 1.281 -4.118 -6.591 777 3HE MET 103 3HE MET 103 0.368 -5.446 -5.873 778 H TYR 104 H TYR 104 -5.194 -3.292 -6.412 779 HA TYR 104 HA TYR 104 -6.568 -1.456 -4.569 780 1HB TYR 104 1HB TYR 104 -7.590 -3.887 -6.049 781 2HB TYR 104 2HB TYR 104 -8.526 -2.986 -4.862 782 HD1 TYR 104 1HD TYR 104 -8.380 -3.495 -8.176 783 HD2 TYR 104 2HD TYR 104 -8.145 -0.237 -5.449 784 HE1 TYR 104 1HE TYR 104 -9.140 -1.966 -9.946 785 HE2 TYR 104 2HE TYR 104 -8.905 1.301 -7.212 786 HH TYR 104 HH TYR 104 -10.158 0.182 -10.212 787 H CYS 105 H CYS 105 -6.214 -1.799 -2.489 788 HA CYS 105 HA CYS 105 -5.082 -4.279 -1.552 789 1HB CYS 105 1HB CYS 105 -4.246 -2.258 -0.564 790 2HB CYS 105 2HB CYS 105 -5.870 -1.727 -0.142 791 HG CYS 105 HG CYS 105 -4.644 -4.602 1.200 792 H SER 106 H SER 106 -6.618 -5.873 -1.761 793 HA SER 106 HA SER 106 -9.251 -5.487 -0.584 794 1HB SER 106 1HB SER 106 -9.560 -7.900 -1.417 795 2HB SER 106 2HB SER 106 -9.356 -6.645 -2.639 796 HG SER 106 HG SER 106 -7.465 -7.452 -3.172 797 H PHE 107 H PHE 107 -9.968 -6.410 1.266 798 HA PHE 107 HA PHE 107 -7.968 -7.518 3.044 799 1HB PHE 107 1HB PHE 107 -9.638 -7.288 4.780 800 2HB PHE 107 2HB PHE 107 -9.606 -5.813 3.820 801 HD1 PHE 107 1HD PHE 107 -11.505 -8.862 4.583 802 HD2 PHE 107 2HD PHE 107 -11.488 -5.142 2.515 803 HE1 PHE 107 1HE PHE 107 -13.926 -9.070 4.197 804 HE2 PHE 107 2HE PHE 107 -13.909 -5.343 2.126 805 HZ PHE 107 HZ PHE 107 -15.131 -7.309 2.968 806 H TYR 108 H TYR 108 -9.968 -8.777 0.747 807 HA TYR 108 HA TYR 108 -10.262 -11.331 2.186 808 1HB TYR 108 1HB TYR 108 -12.119 -11.852 0.718 809 2HB TYR 108 2HB TYR 108 -12.397 -10.285 1.468 810 HD1 TYR 108 1HD TYR 108 -12.107 -12.081 -1.620 811 HD2 TYR 108 2HD TYR 108 -11.895 -8.198 0.106 812 HE1 TYR 108 1HE TYR 108 -12.427 -11.082 -3.844 813 HE2 TYR 108 2HE TYR 108 -12.216 -7.188 -2.114 814 HH TYR 108 HH TYR 108 -11.712 -8.602 -4.867 815 HA PRO 109 HA PRO 109 -7.525 -13.300 -0.623 816 1HB PRO 109 1HB PRO 109 -8.624 -15.777 -0.788 817 2HB PRO 109 2HB PRO 109 -7.774 -15.197 0.649 818 1HG PRO 109 1HG PRO 109 -10.716 -15.329 0.114 819 2HG PRO 109 2HG PRO 109 -9.828 -15.751 1.589 820 1HD PRO 109 1HD PRO 109 -11.142 -13.401 1.301 821 2HD PRO 109 2HD PRO 109 -9.660 -13.554 2.266 822 HA PRO 110 HA PRO 110 -9.010 -13.254 -4.762 823 1HB PRO 110 1HB PRO 110 -7.602 -15.262 -5.926 824 2HB PRO 110 2HB PRO 110 -6.868 -13.728 -5.444 825 1HG PRO 110 1HG PRO 110 -6.858 -16.363 -4.022 826 2HG PRO 110 2HG PRO 110 -5.530 -15.210 -4.252 827 1HD PRO 110 1HD PRO 110 -6.930 -15.377 -1.940 828 2HD PRO 110 2HD PRO 110 -6.244 -13.851 -2.533 829 H ASP 111 H ASP 111 -8.741 -16.611 -3.580 830 HA ASP 111 HA ASP 111 -11.452 -17.223 -3.824 831 1HB ASP 111 1HB ASP 111 -10.060 -17.231 -6.333 832 2HB ASP 111 2HB ASP 111 -10.542 -18.878 -5.934 833 H GLU 112 H GLU 112 -8.137 -18.356 -3.972 834 HA GLU 112 HA GLU 112 -8.446 -21.046 -3.443 835 1HB GLU 112 1HB GLU 112 -6.330 -19.114 -3.284 836 2HB GLU 112 2HB GLU 112 -6.258 -20.169 -1.880 837 1HG GLU 112 1HG GLU 112 -5.601 -21.941 -3.081 838 2HG GLU 112 2HG GLU 112 -6.672 -21.555 -4.427 Start of MODEL 17 1 1H ALA 1 1H ALA 1 13.604 12.550 -6.088 2 HA ALA 1 HA ALA 1 14.016 10.840 -7.893 3 1HB ALA 1 1HB ALA 1 16.585 11.276 -7.907 4 2HB ALA 1 2HB ALA 1 15.463 12.616 -8.145 5 3HB ALA 1 3HB ALA 1 16.216 12.365 -6.570 6 HA PRO 2 HA PRO 2 15.158 7.292 -5.088 7 1HB PRO 2 1HB PRO 2 13.271 5.595 -6.055 8 2HB PRO 2 2HB PRO 2 12.959 6.726 -4.734 9 1HG PRO 2 1HG PRO 2 12.289 6.978 -7.640 10 2HG PRO 2 2HG PRO 2 11.298 7.377 -6.225 11 1HD PRO 2 1HD PRO 2 12.630 9.257 -7.647 12 2HD PRO 2 2HD PRO 2 12.353 9.400 -5.900 13 H ILE 3 H ILE 3 17.005 7.621 -6.716 14 HA ILE 3 HA ILE 3 16.862 5.930 -9.071 15 HB ILE 3 HB ILE 3 19.282 7.378 -8.003 16 1HG1 ILE 3 1HG1 ILE 3 17.282 8.375 -10.041 17 2HG1 ILE 3 2HG1 ILE 3 17.343 8.912 -8.366 18 1HG2 ILE 3 1HG2 ILE 3 19.600 7.349 -10.651 19 2HG2 ILE 3 2HG2 ILE 3 20.156 6.039 -9.610 20 3HG2 ILE 3 3HG2 ILE 3 18.627 5.889 -10.474 21 1HD1 ILE 3 1HD1 ILE 3 19.847 9.443 -9.007 22 2HD1 ILE 3 2HD1 ILE 3 19.153 9.526 -10.626 23 3HD1 ILE 3 3HD1 ILE 3 18.536 10.571 -9.347 24 H LYS 4 H LYS 4 18.418 4.237 -9.482 25 HA LYS 4 HA LYS 4 18.566 2.331 -7.448 26 1HB LYS 4 1HB LYS 4 19.292 2.516 -10.200 27 2HB LYS 4 2HB LYS 4 20.654 1.834 -9.321 28 1HG LYS 4 1HG LYS 4 17.985 0.718 -8.712 29 2HG LYS 4 2HG LYS 4 18.665 0.355 -10.301 30 1HD LYS 4 1HD LYS 4 20.816 -0.134 -8.773 31 2HD LYS 4 2HD LYS 4 19.541 -0.512 -7.611 32 1HE LYS 4 1HE LYS 4 19.136 -2.454 -8.613 33 2HE LYS 4 2HE LYS 4 18.908 -1.653 -10.167 34 1HZ LYS 4 1HZ LYS 4 21.041 -2.053 -10.794 35 2HZ LYS 4 2HZ LYS 4 20.819 -3.394 -9.787 36 3HZ LYS 4 3HZ LYS 4 21.648 -2.035 -9.214 37 H GLY 5 H GLY 5 21.027 1.260 -7.278 38 1HA GLY 5 2HA GLY 5 22.286 2.766 -5.288 39 2HA GLY 5 1HA GLY 5 23.009 1.402 -6.130 40 H VAL 6 H VAL 6 22.838 4.838 -5.862 41 HA VAL 6 HA VAL 6 24.016 6.543 -6.816 42 HB VAL 6 HB VAL 6 26.073 4.341 -7.015 43 1HG1 VAL 6 1HG1 VAL 6 26.893 5.897 -8.521 44 2HG1 VAL 6 2HG1 VAL 6 26.237 7.266 -7.621 45 3HG1 VAL 6 3HG1 VAL 6 27.647 6.401 -7.009 46 1HG2 VAL 6 1HG2 VAL 6 26.966 5.251 -4.978 47 2HG2 VAL 6 2HG2 VAL 6 25.807 6.579 -5.011 48 3HG2 VAL 6 3HG2 VAL 6 25.248 4.928 -4.743 49 H THR 7 H THR 7 22.707 6.848 -8.640 50 HA THR 7 HA THR 7 24.048 6.374 -11.146 51 HB THR 7 HB THR 7 21.238 5.458 -11.272 52 HG1 THR 7 1HG THR 7 21.564 4.002 -9.765 53 1HG2 THR 7 1HG2 THR 7 22.107 3.988 -12.957 54 2HG2 THR 7 2HG2 THR 7 23.766 4.307 -12.451 55 3HG2 THR 7 3HG2 THR 7 22.815 5.582 -13.212 56 H PHE 8 H PHE 8 23.058 7.532 -12.929 57 HA PHE 8 HA PHE 8 20.794 9.179 -12.643 58 1HB PHE 8 1HB PHE 8 21.743 11.344 -12.301 59 2HB PHE 8 2HB PHE 8 22.368 10.307 -11.023 60 HD1 PHE 8 1HD PHE 8 23.182 12.439 -13.792 61 HD2 PHE 8 2HD PHE 8 24.697 9.395 -11.231 62 HE1 PHE 8 1HE PHE 8 25.479 13.054 -14.425 63 HE2 PHE 8 2HE PHE 8 26.996 10.006 -11.859 64 HZ PHE 8 HZ PHE 8 27.390 11.838 -13.457 65 H GLY 9 H GLY 9 20.155 9.886 -14.605 66 1HA GLY 9 2HA GLY 9 20.136 10.068 -16.896 67 2HA GLY 9 1HA GLY 9 21.712 10.818 -16.688 68 H GLU 10 H GLU 10 20.287 7.547 -16.598 69 HA GLU 10 HA GLU 10 22.711 6.540 -17.910 70 1HB GLU 10 1HB GLU 10 20.657 5.333 -16.123 71 2HB GLU 10 2HB GLU 10 21.431 4.286 -17.304 72 1HG GLU 10 1HG GLU 10 22.899 5.963 -15.284 73 2HG GLU 10 2HG GLU 10 22.516 4.254 -15.088 74 H ASP 11 H ASP 11 19.199 6.631 -18.198 75 HA ASP 11 HA ASP 11 19.367 6.375 -21.052 76 1HB ASP 11 1HB ASP 11 19.358 3.979 -19.858 77 2HB ASP 11 2HB ASP 11 17.622 4.278 -19.868 78 H THR 12 H THR 12 16.991 5.782 -18.455 79 HA THR 12 HA THR 12 15.571 8.167 -18.798 80 HB THR 12 HB THR 12 14.890 7.440 -20.967 81 HG1 THR 12 1HG THR 12 12.699 6.716 -19.317 82 1HG2 THR 12 1HG2 THR 12 13.396 5.110 -20.604 83 2HG2 THR 12 2HG2 THR 12 14.904 4.827 -19.734 84 3HG2 THR 12 3HG2 THR 12 14.940 5.261 -21.443 85 H VAL 13 H VAL 13 14.246 8.443 -17.097 86 HA VAL 13 HA VAL 13 14.196 6.724 -14.944 87 HB VAL 13 HB VAL 13 13.565 8.945 -14.513 88 1HG1 VAL 13 1HG1 VAL 13 11.454 8.574 -16.629 89 2HG1 VAL 13 2HG1 VAL 13 11.513 9.962 -15.540 90 3HG1 VAL 13 3HG1 VAL 13 12.839 9.664 -16.664 91 1HG2 VAL 13 1HG2 VAL 13 10.987 7.387 -14.366 92 2HG2 VAL 13 2HG2 VAL 13 12.316 7.233 -13.217 93 3HG2 VAL 13 3HG2 VAL 13 11.455 8.765 -13.368 94 H TRP 14 H TRP 14 12.491 5.450 -14.007 95 HA TRP 14 HA TRP 14 10.867 3.855 -14.018 96 1HB TRP 14 1HB TRP 14 9.978 5.747 -16.087 97 2HB TRP 14 2HB TRP 14 9.347 4.114 -16.281 98 HD1 TRP 14 HD TRP 14 9.272 7.075 -13.839 99 HE1 TRP 14 1HE TRP 14 7.245 6.793 -12.278 100 HE3 TRP 14 3HE TRP 14 7.773 2.409 -15.293 101 HZ2 TRP 14 2HZ TRP 14 5.272 4.849 -11.735 102 HZ3 TRP 14 3HZ TRP 14 5.807 1.409 -14.202 103 HH2 TRP 14 HH TRP 14 4.584 2.605 -12.460 104 H GLU 15 H GLU 15 13.415 3.889 -15.873 105 HA GLU 15 HA GLU 15 12.829 1.265 -17.037 106 1HB GLU 15 1HB GLU 15 13.527 3.713 -18.499 107 2HB GLU 15 2HB GLU 15 14.536 2.331 -18.899 108 1HG GLU 15 1HG GLU 15 11.642 1.813 -18.813 109 2HG GLU 15 2HG GLU 15 12.196 2.886 -20.097 110 H VAL 16 H VAL 16 15.210 3.638 -16.002 111 HA VAL 16 HA VAL 16 17.128 1.438 -15.583 112 HB VAL 16 HB VAL 16 17.811 3.121 -17.325 113 1HG1 VAL 16 1HG1 VAL 16 16.821 5.033 -15.885 114 2HG1 VAL 16 2HG1 VAL 16 18.386 5.001 -15.070 115 3HG1 VAL 16 3HG1 VAL 16 18.299 5.324 -16.802 116 1HG2 VAL 16 1HG2 VAL 16 19.297 1.797 -15.464 117 2HG2 VAL 16 2HG2 VAL 16 19.960 2.690 -16.833 118 3HG2 VAL 16 3HG2 VAL 16 19.852 3.458 -15.249 119 H GLN 17 H GLN 17 15.533 4.224 -14.258 120 HA GLN 17 HA GLN 17 17.050 4.809 -12.035 121 1HB GLN 17 1HB GLN 17 15.275 6.248 -12.266 122 2HB GLN 17 2HB GLN 17 14.143 4.961 -12.657 123 1HG GLN 17 1HG GLN 17 13.707 4.484 -10.464 124 2HG GLN 17 2HG GLN 17 15.270 5.082 -9.910 125 1HE2 GLN 17 1HE2 GLN 17 12.130 6.075 -11.150 126 2HE2 GLN 17 2HE2 GLN 17 12.121 7.631 -10.401 127 H GLY 18 H GLY 18 14.829 2.129 -12.541 128 1HA GLY 18 2HA GLY 18 14.831 0.076 -11.449 129 2HA GLY 18 1HA GLY 18 16.033 0.703 -10.331 130 H TYR 19 H TYR 19 12.927 2.198 -11.044 131 HA TYR 19 HA TYR 19 11.697 1.192 -8.640 132 1HB TYR 19 1HB TYR 19 12.886 3.920 -8.770 133 2HB TYR 19 2HB TYR 19 11.330 3.744 -7.965 134 HD1 TYR 19 1HD TYR 19 11.150 2.098 -6.043 135 HD2 TYR 19 2HD TYR 19 14.881 3.324 -7.679 136 HE1 TYR 19 1HE TYR 19 12.288 1.341 -3.998 137 HE2 TYR 19 2HE TYR 19 16.030 2.570 -5.639 138 HH TYR 19 HH TYR 19 15.565 2.109 -3.328 139 H LYS 20 H LYS 20 9.494 2.109 -8.336 140 HA LYS 20 HA LYS 20 8.350 3.298 -10.753 141 1HB LYS 20 1HB LYS 20 7.554 0.663 -9.537 142 2HB LYS 20 2HB LYS 20 6.423 1.608 -10.497 143 1HG LYS 20 1HG LYS 20 7.303 0.151 -12.049 144 2HG LYS 20 2HG LYS 20 8.295 1.592 -12.282 145 1HD LYS 20 1HD LYS 20 10.154 0.508 -11.693 146 2HD LYS 20 2HD LYS 20 9.392 -0.153 -10.245 147 1HE LYS 20 1HE LYS 20 9.592 -2.131 -11.278 148 2HE LYS 20 2HE LYS 20 8.201 -1.606 -12.225 149 1HZ LYS 20 1HZ LYS 20 10.173 -0.491 -13.606 150 2HZ LYS 20 2HZ LYS 20 9.586 -2.044 -13.926 151 3HZ LYS 20 3HZ LYS 20 10.990 -1.845 -13.004 152 H ASN 21 H ASN 21 5.753 3.375 -10.199 153 HA ASN 21 HA ASN 21 5.391 4.285 -7.449 154 1HB ASN 21 1HB ASN 21 4.683 6.046 -9.803 155 2HB ASN 21 2HB ASN 21 4.515 6.441 -8.095 156 1HD2 ASN 21 1HD2 ASN 21 6.846 5.740 -10.631 157 2HD2 ASN 21 2HD2 ASN 21 8.155 6.618 -9.924 158 H VAL 22 H VAL 22 3.656 3.246 -6.746 159 HA VAL 22 HA VAL 22 1.333 3.006 -8.541 160 HB VAL 22 HB VAL 22 2.353 0.816 -8.420 161 1HG1 VAL 22 1HG1 VAL 22 2.757 -0.352 -6.368 162 2HG1 VAL 22 2HG1 VAL 22 3.559 1.217 -6.275 163 3HG1 VAL 22 3HG1 VAL 22 2.036 0.953 -5.426 164 1HG2 VAL 22 1HG2 VAL 22 0.476 -0.470 -7.571 165 2HG2 VAL 22 2HG2 VAL 22 -0.094 0.928 -6.658 166 3HG2 VAL 22 3HG2 VAL 22 -0.102 0.963 -8.421 167 H ARG 23 H ARG 23 -0.625 3.456 -7.665 168 HA ARG 23 HA ARG 23 -0.631 4.353 -4.866 169 1HB ARG 23 1HB ARG 23 -1.461 5.654 -7.155 170 2HB ARG 23 2HB ARG 23 -2.968 5.050 -6.479 171 1HG ARG 23 1HG ARG 23 -2.736 7.172 -5.556 172 2HG ARG 23 2HG ARG 23 -2.183 6.088 -4.278 173 1HD ARG 23 1HD ARG 23 -0.480 7.600 -4.238 174 2HD ARG 23 2HD ARG 23 0.153 6.492 -5.455 175 HE ARG 23 HE ARG 23 0.031 8.196 -6.957 176 1HH1 ARG 23 2HH1 ARG 23 -2.218 8.843 -4.380 177 2HH1 ARG 23 1HH1 ARG 23 -2.685 10.392 -5.000 178 1HH2 ARG 23 2HH2 ARG 23 -0.575 10.234 -7.784 179 2HH2 ARG 23 1HH2 ARG 23 -1.750 11.182 -6.937 180 H ILE 24 H ILE 24 -2.707 4.055 -3.682 181 HA ILE 24 HA ILE 24 -4.170 1.647 -4.503 182 HB ILE 24 HB ILE 24 -3.048 2.080 -1.732 183 1HG1 ILE 24 1HG1 ILE 24 -2.191 -0.372 -2.824 184 2HG1 ILE 24 2HG1 ILE 24 -1.954 0.829 -4.089 185 1HG2 ILE 24 1HG2 ILE 24 -5.024 0.952 -1.352 186 2HG2 ILE 24 2HG2 ILE 24 -4.951 0.092 -2.889 187 3HG2 ILE 24 3HG2 ILE 24 -3.888 -0.380 -1.564 188 1HD1 ILE 24 1HD1 ILE 24 -0.348 1.934 -2.928 189 2HD1 ILE 24 2HD1 ILE 24 -1.024 1.498 -1.357 190 3HD1 ILE 24 3HD1 ILE 24 -0.106 0.311 -2.284 191 H THR 25 H THR 25 -6.310 1.772 -4.196 192 HA THR 25 HA THR 25 -7.490 3.387 -2.138 193 HB THR 25 HB THR 25 -7.807 4.252 -5.018 194 HG1 THR 25 1HG THR 25 -6.664 5.986 -4.421 195 1HG2 THR 25 1HG2 THR 25 -9.363 4.920 -2.541 196 2HG2 THR 25 2HG2 THR 25 -9.958 4.488 -4.144 197 3HG2 THR 25 3HG2 THR 25 -9.233 6.072 -3.869 198 H PHE 26 H PHE 26 -8.425 1.369 -1.619 199 HA PHE 26 HA PHE 26 -10.570 0.531 -3.457 200 1HB PHE 26 1HB PHE 26 -8.881 -1.208 -3.318 201 2HB PHE 26 2HB PHE 26 -8.941 -1.169 -1.559 202 HD1 PHE 26 1HD PHE 26 -10.363 -2.591 -0.411 203 HD2 PHE 26 2HD PHE 26 -11.046 -1.846 -4.546 204 HE1 PHE 26 1HE PHE 26 -12.112 -4.322 -0.430 205 HE2 PHE 26 2HE PHE 26 -12.797 -3.574 -4.571 206 HZ PHE 26 HZ PHE 26 -13.332 -4.815 -2.512 207 H GLU 27 H GLU 27 -9.836 -0.283 -0.080 208 HA GLU 27 HA GLU 27 -11.758 1.337 1.136 209 1HB GLU 27 1HB GLU 27 -13.472 0.154 -0.014 210 2HB GLU 27 2HB GLU 27 -12.730 -1.401 0.334 211 1HG GLU 27 1HG GLU 27 -13.303 -1.231 2.649 212 2HG GLU 27 2HG GLU 27 -13.868 0.425 2.435 213 H LEU 28 H LEU 28 -11.161 1.432 3.194 214 HA LEU 28 HA LEU 28 -10.224 -0.995 4.539 215 1HB LEU 28 1HB LEU 28 -8.569 1.185 3.731 216 2HB LEU 28 2HB LEU 28 -8.649 1.153 5.491 217 HG LEU 28 HG LEU 28 -7.783 -1.094 5.540 218 1HD1 LEU 28 1HD1 LEU 28 -8.242 -0.956 2.598 219 2HD1 LEU 28 2HD1 LEU 28 -8.606 -2.252 3.738 220 3HD1 LEU 28 3HD1 LEU 28 -6.942 -1.970 3.224 221 1HD2 LEU 28 1HD2 LEU 28 -6.241 0.794 3.772 222 2HD2 LEU 28 2HD2 LEU 28 -5.566 -0.701 4.420 223 3HD2 LEU 28 3HD2 LEU 28 -6.094 0.576 5.516 224 H ASP 29 H ASP 29 -10.795 2.488 5.056 225 HA ASP 29 HA ASP 29 -12.450 1.786 7.379 226 1HB ASP 29 1HB ASP 29 -10.034 2.619 7.911 227 2HB ASP 29 2HB ASP 29 -10.673 4.201 7.474 228 H GLU 30 H GLU 30 -13.673 3.826 8.151 229 HA GLU 30 HA GLU 30 -14.643 5.262 5.767 230 1HB GLU 30 1HB GLU 30 -16.833 5.403 6.952 231 2HB GLU 30 2HB GLU 30 -16.351 3.762 6.545 232 1HG GLU 30 1HG GLU 30 -16.264 3.126 8.682 233 2HG GLU 30 2HG GLU 30 -15.486 4.622 9.198 234 H ARG 31 H ARG 31 -13.590 5.491 9.069 235 HA ARG 31 HA ARG 31 -14.171 8.362 9.136 236 1HB ARG 31 1HB ARG 31 -13.281 6.438 11.288 237 2HB ARG 31 2HB ARG 31 -13.454 8.170 11.537 238 1HG ARG 31 1HG ARG 31 -15.680 6.341 10.667 239 2HG ARG 31 2HG ARG 31 -15.388 6.855 12.330 240 1HD ARG 31 1HD ARG 31 -15.395 9.224 10.920 241 2HD ARG 31 2HD ARG 31 -16.650 8.276 10.124 242 HE ARG 31 HE ARG 31 -17.180 7.990 12.780 243 1HH1 ARG 31 2HH1 ARG 31 -16.763 10.709 10.647 244 2HH1 ARG 31 1HH1 ARG 31 -17.836 11.738 11.536 245 1HH2 ARG 31 2HH2 ARG 31 -18.595 9.335 13.960 246 2HH2 ARG 31 1HH2 ARG 31 -18.877 10.956 13.421 247 H VAL 32 H VAL 32 -11.578 6.103 8.813 248 HA VAL 32 HA VAL 32 -9.681 8.346 8.670 249 HB VAL 32 HB VAL 32 -7.923 6.900 9.640 250 1HG1 VAL 32 1HG1 VAL 32 -9.062 8.513 11.052 251 2HG1 VAL 32 2HG1 VAL 32 -10.330 7.338 11.404 252 3HG1 VAL 32 3HG1 VAL 32 -8.684 7.056 11.971 253 1HG2 VAL 32 1HG2 VAL 32 -9.240 4.772 9.060 254 2HG2 VAL 32 2HG2 VAL 32 -8.346 4.805 10.580 255 3HG2 VAL 32 3HG2 VAL 32 -10.092 5.054 10.578 256 H ASP 33 H ASP 33 -10.931 7.389 6.447 257 HA ASP 33 HA ASP 33 -9.354 5.338 5.180 258 1HB ASP 33 1HB ASP 33 -11.882 6.132 4.789 259 2HB ASP 33 2HB ASP 33 -11.097 7.121 3.561 260 H LYS 34 H LYS 34 -9.797 8.838 4.717 261 HA LYS 34 HA LYS 34 -7.888 9.126 2.671 262 1HB LYS 34 1HB LYS 34 -8.327 11.365 2.792 263 2HB LYS 34 2HB LYS 34 -9.727 10.768 3.673 264 1HG LYS 34 1HG LYS 34 -7.173 11.756 4.926 265 2HG LYS 34 2HG LYS 34 -8.673 12.676 4.784 266 1HD LYS 34 1HD LYS 34 -9.419 10.258 5.954 267 2HD LYS 34 2HD LYS 34 -7.902 10.695 6.743 268 1HE LYS 34 1HE LYS 34 -9.399 11.806 8.075 269 2HE LYS 34 2HE LYS 34 -9.034 13.060 6.891 270 1HZ LYS 34 1HZ LYS 34 -11.517 11.910 7.498 271 2HZ LYS 34 2HZ LYS 34 -11.140 11.522 5.895 272 3HZ LYS 34 3HZ LYS 34 -11.173 13.140 6.387 273 H VAL 35 H VAL 35 -7.519 8.539 5.997 274 HA VAL 35 HA VAL 35 -5.095 9.866 6.530 275 HB VAL 35 HB VAL 35 -6.178 7.315 7.734 276 1HG1 VAL 35 1HG1 VAL 35 -3.953 9.131 8.652 277 2HG1 VAL 35 2HG1 VAL 35 -4.672 7.851 9.631 278 3HG1 VAL 35 3HG1 VAL 35 -3.810 7.448 8.145 279 1HG2 VAL 35 1HG2 VAL 35 -6.539 9.149 9.633 280 2HG2 VAL 35 2HG2 VAL 35 -6.653 10.200 8.222 281 3HG2 VAL 35 3HG2 VAL 35 -7.746 8.827 8.388 282 H LEU 36 H LEU 36 -5.811 7.061 4.677 283 HA LEU 36 HA LEU 36 -2.931 6.475 4.452 284 1HB LEU 36 1HB LEU 36 -3.366 4.192 4.215 285 2HB LEU 36 2HB LEU 36 -4.392 4.713 5.550 286 HG LEU 36 HG LEU 36 -6.051 4.945 3.362 287 1HD1 LEU 36 1HD1 LEU 36 -4.921 3.807 1.747 288 2HD1 LEU 36 2HD1 LEU 36 -5.737 2.454 2.529 289 3HD1 LEU 36 3HD1 LEU 36 -4.050 2.801 2.905 290 1HD2 LEU 36 1HD2 LEU 36 -7.067 2.843 4.267 291 2HD2 LEU 36 2HD2 LEU 36 -6.771 4.099 5.470 292 3HD2 LEU 36 3HD2 LEU 36 -5.683 2.715 5.353 293 H ASN 37 H ASN 37 -5.289 7.992 2.911 294 HA ASN 37 HA ASN 37 -4.418 7.068 0.251 295 1HB ASN 37 1HB ASN 37 -6.727 6.533 0.422 296 2HB ASN 37 2HB ASN 37 -7.107 8.085 1.164 297 1HD2 ASN 37 1HD2 ASN 37 -7.934 9.570 -0.111 298 2HD2 ASN 37 2HD2 ASN 37 -7.807 9.617 -1.834 299 H GLU 38 H GLU 38 -4.545 9.634 2.462 300 HA GLU 38 HA GLU 38 -3.799 11.544 0.345 301 1HB GLU 38 1HB GLU 38 -5.798 12.412 1.177 302 2HB GLU 38 2HB GLU 38 -5.443 11.912 2.825 303 1HG GLU 38 1HG GLU 38 -4.291 13.782 3.289 304 2HG GLU 38 2HG GLU 38 -3.577 13.870 1.680 305 H LYS 39 H LYS 39 -3.131 10.281 3.536 306 HA LYS 39 HA LYS 39 -0.855 12.056 3.903 307 1HB LYS 39 1HB LYS 39 -1.662 9.759 5.682 308 2HB LYS 39 2HB LYS 39 -0.683 11.159 6.101 309 1HG LYS 39 1HG LYS 39 -2.813 12.514 5.537 310 2HG LYS 39 2HG LYS 39 -3.640 10.966 5.725 311 1HD LYS 39 1HD LYS 39 -3.198 10.849 7.973 312 2HD LYS 39 2HD LYS 39 -1.731 11.823 7.844 313 1HE LYS 39 1HE LYS 39 -3.677 13.588 7.073 314 2HE LYS 39 2HE LYS 39 -4.502 12.639 8.309 315 1HZ LYS 39 1HZ LYS 39 -3.498 14.365 9.473 316 2HZ LYS 39 2HZ LYS 39 -2.064 14.283 8.580 317 3HZ LYS 39 3HZ LYS 39 -2.432 13.071 9.702 318 H CYS 40 H CYS 40 -1.478 9.125 2.406 319 HA CYS 40 HA CYS 40 1.160 8.670 1.633 320 1HB CYS 40 1HB CYS 40 1.515 6.486 2.910 321 2HB CYS 40 2HB CYS 40 1.749 7.978 3.812 322 HG CYS 40 HG CYS 40 -0.561 5.570 4.217 323 H SER 41 H SER 41 -0.053 8.476 -0.301 324 HA SER 41 HA SER 41 -1.505 5.925 -0.575 325 1HB SER 41 1HB SER 41 -2.417 8.474 -1.146 326 2HB SER 41 2HB SER 41 -1.925 7.862 -2.725 327 HG SER 41 HG SER 41 -3.182 5.880 -1.807 328 H VAL 42 H VAL 42 1.138 7.839 -1.663 329 HA VAL 42 HA VAL 42 1.565 6.283 -4.076 330 HB VAL 42 HB VAL 42 3.243 8.454 -2.811 331 1HG1 VAL 42 1HG1 VAL 42 3.557 6.938 -5.391 332 2HG1 VAL 42 2HG1 VAL 42 4.336 8.492 -5.087 333 3HG1 VAL 42 3HG1 VAL 42 4.718 7.099 -4.074 334 1HG2 VAL 42 1HG2 VAL 42 0.917 8.966 -3.809 335 2HG2 VAL 42 2HG2 VAL 42 2.288 9.958 -4.306 336 3HG2 VAL 42 3HG2 VAL 42 1.694 8.679 -5.366 337 H TYR 43 H TYR 43 3.088 4.725 -4.370 338 HA TYR 43 HA TYR 43 4.872 4.087 -2.128 339 1HB TYR 43 1HB TYR 43 3.070 2.136 -3.572 340 2HB TYR 43 2HB TYR 43 4.381 1.657 -2.500 341 HD1 TYR 43 1HD TYR 43 3.964 1.373 -0.231 342 HD2 TYR 43 2HD TYR 43 1.263 3.701 -2.553 343 HE1 TYR 43 1HE TYR 43 2.449 1.531 1.700 344 HE2 TYR 43 2HE TYR 43 -0.259 3.866 -0.628 345 HH TYR 43 HH TYR 43 -0.735 2.995 1.422 346 H THR 44 H THR 44 6.877 3.415 -2.699 347 HA THR 44 HA THR 44 7.512 3.479 -5.554 348 HB THR 44 HB THR 44 9.737 3.189 -3.648 349 HG1 THR 44 1HG THR 44 9.329 4.916 -2.481 350 1HG2 THR 44 1HG2 THR 44 10.814 4.682 -5.084 351 2HG2 THR 44 2HG2 THR 44 9.298 5.394 -5.635 352 3HG2 THR 44 3HG2 THR 44 9.755 3.775 -6.163 353 H VAL 45 H VAL 45 7.966 1.697 -6.668 354 HA VAL 45 HA VAL 45 8.508 -0.783 -5.172 355 HB VAL 45 HB VAL 45 7.287 -0.472 -7.918 356 1HG1 VAL 45 1HG1 VAL 45 8.433 -2.756 -6.495 357 2HG1 VAL 45 2HG1 VAL 45 6.802 -3.035 -7.106 358 3HG1 VAL 45 3HG1 VAL 45 8.087 -2.545 -8.211 359 1HG2 VAL 45 1HG2 VAL 45 5.658 -1.821 -5.968 360 2HG2 VAL 45 2HG2 VAL 45 6.109 -0.216 -5.392 361 3HG2 VAL 45 3HG2 VAL 45 5.289 -0.397 -6.943 362 H GLU 46 H GLU 46 10.607 -1.251 -5.205 363 HA GLU 46 HA GLU 46 12.513 -0.241 -6.956 364 1HB GLU 46 1HB GLU 46 12.525 -1.883 -4.720 365 2HB GLU 46 2HB GLU 46 13.182 -2.907 -5.989 366 1HG GLU 46 1HG GLU 46 14.464 -0.450 -6.294 367 2HG GLU 46 2HG GLU 46 14.416 -0.744 -4.556 368 H SER 47 H SER 47 13.991 -1.869 -8.254 369 HA SER 47 HA SER 47 12.467 -2.670 -10.510 370 1HB SER 47 1HB SER 47 14.932 -1.873 -10.399 371 2HB SER 47 2HB SER 47 15.301 -3.556 -10.019 372 HG SER 47 HG SER 47 14.495 -4.172 -11.983 373 H GLY 48 H GLY 48 14.000 -4.421 -7.855 374 1HA GLY 48 2HA GLY 48 12.807 -6.914 -8.893 375 2HA GLY 48 1HA GLY 48 14.227 -6.846 -7.861 376 H THR 49 H THR 49 10.743 -6.539 -7.980 377 HA THR 49 HA THR 49 10.664 -7.076 -5.094 378 HB THR 49 HB THR 49 8.546 -5.305 -6.215 379 HG1 THR 49 1HG THR 49 10.525 -4.333 -6.897 380 1HG2 THR 49 1HG2 THR 49 9.941 -5.597 -3.557 381 2HG2 THR 49 2HG2 THR 49 8.274 -6.014 -3.954 382 3HG2 THR 49 3HG2 THR 49 8.773 -4.324 -3.907 383 H GLU 50 H GLU 50 8.833 -8.226 -4.370 384 HA GLU 50 HA GLU 50 7.419 -9.647 -6.522 385 1HB GLU 50 1HB GLU 50 8.556 -10.470 -3.945 386 2HB GLU 50 2HB GLU 50 6.937 -11.089 -4.237 387 1HG GLU 50 1HG GLU 50 8.572 -11.395 -6.581 388 2HG GLU 50 2HG GLU 50 9.349 -12.123 -5.177 389 H VAL 51 H VAL 51 5.177 -10.218 -6.171 390 HA VAL 51 HA VAL 51 3.600 -8.032 -5.373 391 HB VAL 51 HB VAL 51 2.614 -10.869 -5.640 392 1HG1 VAL 51 1HG1 VAL 51 0.853 -9.578 -4.854 393 2HG1 VAL 51 2HG1 VAL 51 1.352 -8.157 -5.774 394 3HG1 VAL 51 3HG1 VAL 51 0.621 -9.533 -6.602 395 1HG2 VAL 51 1HG2 VAL 51 3.383 -10.838 -7.734 396 2HG2 VAL 51 2HG2 VAL 51 2.164 -9.606 -8.059 397 3HG2 VAL 51 3HG2 VAL 51 3.808 -9.129 -7.635 398 H THR 52 H THR 52 5.023 -10.531 -3.558 399 HA THR 52 HA THR 52 3.096 -10.348 -1.378 400 HB THR 52 HB THR 52 3.914 -12.566 -1.818 401 HG1 THR 52 1HG THR 52 3.792 -12.668 0.296 402 1HG2 THR 52 1HG2 THR 52 6.632 -11.299 -1.583 403 2HG2 THR 52 2HG2 THR 52 5.972 -12.241 -2.919 404 3HG2 THR 52 3HG2 THR 52 6.389 -13.035 -1.401 405 H GLU 53 H GLU 53 6.164 -9.075 -2.318 406 HA GLU 53 HA GLU 53 7.206 -8.420 0.216 407 1HB GLU 53 1HB GLU 53 8.119 -8.228 -2.344 408 2HB GLU 53 2HB GLU 53 7.792 -6.541 -1.977 409 1HG GLU 53 1HG GLU 53 9.603 -6.375 -0.712 410 2HG GLU 53 2HG GLU 53 9.190 -7.831 0.192 411 H PHE 54 H PHE 54 4.941 -6.786 -1.912 412 HA PHE 54 HA PHE 54 4.910 -4.323 -0.485 413 1HB PHE 54 1HB PHE 54 2.627 -5.335 -2.163 414 2HB PHE 54 2HB PHE 54 3.161 -3.675 -1.922 415 HD1 PHE 54 1HD PHE 54 3.060 -6.260 -4.206 416 HD2 PHE 54 2HD PHE 54 5.725 -3.315 -2.675 417 HE1 PHE 54 1HE PHE 54 4.392 -6.396 -6.270 418 HE2 PHE 54 2HE PHE 54 7.060 -3.446 -4.737 419 HZ PHE 54 HZ PHE 54 6.394 -4.987 -6.539 420 H ALA 55 H ALA 55 3.357 -7.378 -0.060 421 HA ALA 55 HA ALA 55 1.120 -6.562 1.450 422 1HB ALA 55 1HB ALA 55 0.658 -8.724 1.283 423 2HB ALA 55 2HB ALA 55 2.258 -9.006 0.596 424 3HB ALA 55 3HB ALA 55 2.016 -9.113 2.340 425 H CYS 56 H CYS 56 4.470 -6.823 2.222 426 HA CYS 56 HA CYS 56 3.871 -6.511 5.086 427 1HB CYS 56 1HB CYS 56 5.652 -8.232 3.799 428 2HB CYS 56 2HB CYS 56 6.671 -6.963 4.467 429 HG CYS 56 HG CYS 56 6.862 -8.618 6.505 430 H VAL 57 H VAL 57 4.149 -4.555 2.661 431 HA VAL 57 HA VAL 57 5.938 -2.662 4.044 432 HB VAL 57 HB VAL 57 5.374 -2.835 1.081 433 1HG1 VAL 57 1HG1 VAL 57 7.265 -1.099 1.042 434 2HG1 VAL 57 2HG1 VAL 57 5.651 -0.556 1.509 435 3HG1 VAL 57 3HG1 VAL 57 6.878 -0.843 2.744 436 1HG2 VAL 57 1HG2 VAL 57 8.136 -3.020 2.001 437 2HG2 VAL 57 2HG2 VAL 57 7.120 -4.348 2.561 438 3HG2 VAL 57 3HG2 VAL 57 7.261 -4.013 0.836 439 H VAL 58 H VAL 58 2.886 -3.164 2.412 440 HA VAL 58 HA VAL 58 2.098 -0.382 2.824 441 HB VAL 58 HB VAL 58 0.410 -2.572 1.623 442 1HG1 VAL 58 1HG1 VAL 58 -0.070 0.133 2.271 443 2HG1 VAL 58 2HG1 VAL 58 0.013 0.026 0.512 444 3HG1 VAL 58 3HG1 VAL 58 -1.124 -0.984 1.405 445 1HG2 VAL 58 1HG2 VAL 58 1.322 -1.093 -0.492 446 2HG2 VAL 58 2HG2 VAL 58 2.755 -1.212 0.530 447 3HG2 VAL 58 3HG2 VAL 58 1.936 -2.676 -0.014 448 H ALA 59 H ALA 59 2.092 -3.196 4.570 449 HA ALA 59 HA ALA 59 -0.439 -2.636 5.936 450 1HB ALA 59 1HB ALA 59 0.669 -5.007 5.190 451 2HB ALA 59 2HB ALA 59 1.156 -4.904 6.882 452 3HB ALA 59 3HB ALA 59 -0.552 -4.816 6.449 453 H GLU 60 H GLU 60 2.977 -2.333 6.304 454 HA GLU 60 HA GLU 60 2.761 -1.865 9.180 455 1HB GLU 60 1HB GLU 60 5.218 -1.746 9.137 456 2HB GLU 60 2HB GLU 60 4.623 -3.244 8.436 457 1HG GLU 60 1HG GLU 60 5.992 -2.808 6.743 458 2HG GLU 60 2HG GLU 60 4.804 -1.600 6.254 459 H ALA 61 H ALA 61 3.272 -0.177 6.171 460 HA ALA 61 HA ALA 61 4.032 2.303 7.441 461 1HB ALA 61 1HB ALA 61 3.390 1.607 4.581 462 2HB ALA 61 2HB ALA 61 3.872 3.216 5.120 463 3HB ALA 61 3HB ALA 61 4.982 1.857 5.297 464 H VAL 62 H VAL 62 1.189 0.719 7.279 465 HA VAL 62 HA VAL 62 -0.426 3.151 6.922 466 HB VAL 62 HB VAL 62 -2.369 1.517 6.881 467 1HG1 VAL 62 1HG1 VAL 62 -0.284 1.290 4.713 468 2HG1 VAL 62 2HG1 VAL 62 -2.000 0.916 4.540 469 3HG1 VAL 62 3HG1 VAL 62 -1.485 2.572 4.865 470 1HG2 VAL 62 1HG2 VAL 62 -0.141 -0.485 6.516 471 2HG2 VAL 62 2HG2 VAL 62 -1.193 -0.368 7.926 472 3HG2 VAL 62 3HG2 VAL 62 -1.868 -0.807 6.357 473 H VAL 63 H VAL 63 0.342 0.560 9.161 474 HA VAL 63 HA VAL 63 -1.615 1.002 11.099 475 HB VAL 63 HB VAL 63 1.234 0.074 11.488 476 1HG1 VAL 63 1HG1 VAL 63 0.844 0.096 13.672 477 2HG1 VAL 63 2HG1 VAL 63 -0.782 0.725 13.401 478 3HG1 VAL 63 3HG1 VAL 63 -0.502 -1.016 13.428 479 1HG2 VAL 63 1HG2 VAL 63 -1.115 -1.748 11.544 480 2HG2 VAL 63 2HG2 VAL 63 -0.543 -1.174 9.977 481 3HG2 VAL 63 3HG2 VAL 63 0.547 -2.061 11.043 482 H LYS 64 H LYS 64 1.780 2.083 11.311 483 HA LYS 64 HA LYS 64 1.497 3.799 13.452 484 1HB LYS 64 1HB LYS 64 3.503 4.990 12.521 485 2HB LYS 64 2HB LYS 64 3.685 3.247 12.666 486 1HG LYS 64 1HG LYS 64 2.678 3.677 10.097 487 2HG LYS 64 2HG LYS 64 3.905 4.921 10.344 488 1HD LYS 64 1HD LYS 64 4.375 2.007 10.940 489 2HD LYS 64 2HD LYS 64 4.724 2.738 9.371 490 1HE LYS 64 1HE LYS 64 6.159 4.406 10.601 491 2HE LYS 64 2HE LYS 64 5.954 3.406 12.038 492 1HZ LYS 64 1HZ LYS 64 7.784 3.078 9.948 493 2HZ LYS 64 2HZ LYS 64 6.733 1.753 9.919 494 3HZ LYS 64 3HZ LYS 64 7.592 2.120 11.330 495 H THR 65 H THR 65 0.871 4.402 10.040 496 HA THR 65 HA THR 65 0.451 7.202 10.298 497 HB THR 65 HB THR 65 -0.630 5.358 8.159 498 HG1 THR 65 1HG THR 65 1.292 6.000 7.036 499 1HG2 THR 65 1HG2 THR 65 -1.469 7.178 7.182 500 2HG2 THR 65 2HG2 THR 65 0.085 8.005 7.297 501 3HG2 THR 65 3HG2 THR 65 -1.063 8.094 8.633 502 H LEU 66 H LEU 66 -1.590 4.387 10.656 503 HA LEU 66 HA LEU 66 -3.909 6.138 11.128 504 1HB LEU 66 1HB LEU 66 -3.702 3.253 10.312 505 2HB LEU 66 2HB LEU 66 -5.203 3.959 10.908 506 HG LEU 66 HG LEU 66 -4.196 5.595 8.798 507 1HD1 LEU 66 1HD1 LEU 66 -4.730 3.540 7.126 508 2HD1 LEU 66 2HD1 LEU 66 -3.856 2.702 8.408 509 3HD1 LEU 66 3HD1 LEU 66 -3.105 4.061 7.572 510 1HD2 LEU 66 1HD2 LEU 66 -6.403 4.426 7.797 511 2HD2 LEU 66 2HD2 LEU 66 -6.441 5.748 8.964 512 3HD2 LEU 66 3HD2 LEU 66 -6.623 4.081 9.512 513 H GLN 67 H GLN 67 -2.176 6.140 13.172 514 HA GLN 67 HA GLN 67 -3.496 4.434 15.175 515 1HB GLN 67 1HB GLN 67 -0.595 4.934 14.708 516 2HB GLN 67 2HB GLN 67 -1.146 4.762 16.369 517 1HG GLN 67 1HG GLN 67 -2.308 2.664 14.880 518 2HG GLN 67 2HG GLN 67 -0.602 2.743 14.442 519 1HE2 GLN 67 1HE2 GLN 67 0.966 2.470 16.065 520 2HE2 GLN 67 2HE2 GLN 67 0.589 1.682 17.556 521 HA PRO 68 HA PRO 68 -3.272 9.120 16.163 522 1HB PRO 68 1HB PRO 68 -5.765 9.862 15.388 523 2HB PRO 68 2HB PRO 68 -4.362 9.944 14.317 524 1HG PRO 68 1HG PRO 68 -6.499 7.853 14.484 525 2HG PRO 68 2HG PRO 68 -5.763 8.589 13.048 526 1HD PRO 68 1HD PRO 68 -5.040 6.147 13.966 527 2HD PRO 68 2HD PRO 68 -3.898 7.239 13.157 528 H VAL 69 H VAL 69 -6.212 7.098 16.253 529 HA VAL 69 HA VAL 69 -6.235 7.200 19.145 530 HB VAL 69 HB VAL 69 -8.705 7.918 19.100 531 1HG1 VAL 69 1HG1 VAL 69 -7.091 10.280 18.393 532 2HG1 VAL 69 2HG1 VAL 69 -8.041 9.943 19.842 533 3HG1 VAL 69 3HG1 VAL 69 -6.429 9.250 19.662 534 1HG2 VAL 69 1HG2 VAL 69 -7.818 9.171 16.504 535 2HG2 VAL 69 2HG2 VAL 69 -8.916 7.797 16.633 536 3HG2 VAL 69 3HG2 VAL 69 -9.383 9.364 17.293 537 H SER 70 H SER 70 -5.778 4.945 18.045 538 HA SER 70 HA SER 70 -7.966 3.474 17.023 539 1HB SER 70 1HB SER 70 -6.434 1.497 17.917 540 2HB SER 70 2HB SER 70 -5.972 2.444 16.503 541 HG SER 70 HG SER 70 -4.384 3.325 17.597 542 H ASP 71 H ASP 71 -7.263 4.561 20.141 543 HA ASP 71 HA ASP 71 -8.252 2.476 21.739 544 1HB ASP 71 1HB ASP 71 -8.546 5.405 22.394 545 2HB ASP 71 2HB ASP 71 -8.348 4.056 23.509 546 H LEU 72 H LEU 72 -9.849 4.603 19.608 547 HA LEU 72 HA LEU 72 -12.441 4.235 20.906 548 1HB LEU 72 1HB LEU 72 -13.277 5.908 19.482 549 2HB LEU 72 2HB LEU 72 -11.685 6.461 19.997 550 HG LEU 72 HG LEU 72 -10.975 5.328 17.698 551 1HD1 LEU 72 1HD1 LEU 72 -12.876 4.529 16.743 552 2HD1 LEU 72 2HD1 LEU 72 -12.925 6.176 16.116 553 3HD1 LEU 72 3HD1 LEU 72 -13.907 5.735 17.514 554 1HD2 LEU 72 1HD2 LEU 72 -12.289 8.036 17.753 555 2HD2 LEU 72 2HD2 LEU 72 -10.953 7.500 16.734 556 3HD2 LEU 72 3HD2 LEU 72 -10.712 7.706 18.469 557 H LEU 73 H LEU 73 -10.678 3.356 17.996 558 HA LEU 73 HA LEU 73 -12.795 2.218 16.550 559 1HB LEU 73 1HB LEU 73 -9.956 1.231 16.502 560 2HB LEU 73 2HB LEU 73 -11.147 1.174 15.204 561 HG LEU 73 HG LEU 73 -9.828 3.669 16.275 562 1HD1 LEU 73 1HD1 LEU 73 -8.166 2.574 15.072 563 2HD1 LEU 73 2HD1 LEU 73 -8.897 3.646 13.878 564 3HD1 LEU 73 3HD1 LEU 73 -9.308 1.931 13.890 565 1HD2 LEU 73 1HD2 LEU 73 -12.264 3.398 14.965 566 2HD2 LEU 73 2HD2 LEU 73 -11.126 3.858 13.699 567 3HD2 LEU 73 3HD2 LEU 73 -11.309 4.871 15.131 568 H THR 74 H THR 74 -10.824 0.981 19.157 569 HA THR 74 HA THR 74 -11.548 -1.754 18.867 570 HB THR 74 HB THR 74 -10.928 -0.943 21.604 571 HG1 THR 74 1HG THR 74 -8.987 -0.389 19.593 572 1HG2 THR 74 1HG2 THR 74 -9.940 -2.879 19.558 573 2HG2 THR 74 2HG2 THR 74 -10.532 -3.173 21.194 574 3HG2 THR 74 3HG2 THR 74 -8.918 -2.507 20.946 575 H ASN 75 H ASN 75 -13.186 0.983 20.089 576 HA ASN 75 HA ASN 75 -14.875 -0.373 21.956 577 1HB ASN 75 1HB ASN 75 -15.232 2.302 20.586 578 2HB ASN 75 2HB ASN 75 -16.182 1.721 21.950 579 1HD2 ASN 75 1HD2 ASN 75 -14.766 4.101 22.004 580 2HD2 ASN 75 2HD2 ASN 75 -13.481 3.961 23.151 581 H MET 76 H MET 76 -14.891 0.113 18.538 582 HA MET 76 HA MET 76 -17.677 -0.790 18.348 583 1HB MET 76 1HB MET 76 -17.406 -0.179 15.910 584 2HB MET 76 2HB MET 76 -17.317 1.163 17.043 585 1HG MET 76 1HG MET 76 -14.893 1.156 16.891 586 2HG MET 76 2HG MET 76 -14.956 -0.222 15.794 587 1HE MET 76 1HE MET 76 -14.256 3.742 14.794 588 2HE MET 76 2HE MET 76 -15.827 4.016 15.549 589 3HE MET 76 3HE MET 76 -14.581 3.108 16.408 590 H GLY 77 H GLY 77 -14.405 -1.766 17.793 591 1HA GLY 77 2HA GLY 77 -14.320 -4.316 17.799 592 2HA GLY 77 1HA GLY 77 -15.343 -4.177 16.377 593 H ILE 78 H ILE 78 -13.990 -1.845 15.320 594 HA ILE 78 HA ILE 78 -12.110 -3.061 13.675 595 HB ILE 78 HB ILE 78 -12.398 -0.144 14.395 596 1HG1 ILE 78 1HG1 ILE 78 -13.331 -1.716 11.983 597 2HG1 ILE 78 2HG1 ILE 78 -14.359 -1.184 13.309 598 1HG2 ILE 78 1HG2 ILE 78 -10.175 -0.470 13.565 599 2HG2 ILE 78 2HG2 ILE 78 -10.766 -1.457 12.230 600 3HG2 ILE 78 3HG2 ILE 78 -11.139 0.266 12.286 601 1HD1 ILE 78 1HD1 ILE 78 -14.685 0.331 11.532 602 2HD1 ILE 78 2HD1 ILE 78 -13.693 1.168 12.728 603 3HD1 ILE 78 3HD1 ILE 78 -12.950 0.509 11.271 604 H ASP 79 H ASP 79 -10.303 -4.019 14.342 605 HA ASP 79 HA ASP 79 -8.778 -2.881 16.558 606 1HB ASP 79 1HB ASP 79 -9.312 -5.510 15.704 607 2HB ASP 79 2HB ASP 79 -7.593 -5.249 15.417 608 H LEU 80 H LEU 80 -6.867 -1.880 16.334 609 HA LEU 80 HA LEU 80 -5.910 -1.382 13.629 610 1HB LEU 80 1HB LEU 80 -6.242 0.320 15.616 611 2HB LEU 80 2HB LEU 80 -4.616 -0.211 16.042 612 HG LEU 80 HG LEU 80 -4.672 1.888 14.726 613 1HD1 LEU 80 1HD1 LEU 80 -3.385 -0.255 13.076 614 2HD1 LEU 80 2HD1 LEU 80 -2.799 0.129 14.694 615 3HD1 LEU 80 3HD1 LEU 80 -2.804 1.370 13.441 616 1HD2 LEU 80 1HD2 LEU 80 -5.314 1.909 12.439 617 2HD2 LEU 80 2HD2 LEU 80 -6.654 1.202 13.343 618 3HD2 LEU 80 3HD2 LEU 80 -5.563 0.163 12.425 619 H ASP 81 H ASP 81 -4.913 -2.965 16.588 620 HA ASP 81 HA ASP 81 -2.200 -3.379 15.862 621 1HB ASP 81 1HB ASP 81 -4.002 -4.226 18.013 622 2HB ASP 81 2HB ASP 81 -2.796 -5.438 17.589 623 H GLU 82 H GLU 82 -5.145 -4.901 14.959 624 HA GLU 82 HA GLU 82 -3.976 -7.409 14.178 625 1HB GLU 82 1HB GLU 82 -6.114 -8.068 13.568 626 2HB GLU 82 2HB GLU 82 -6.438 -6.899 14.841 627 1HG GLU 82 1HG GLU 82 -6.645 -5.192 12.932 628 2HG GLU 82 2HG GLU 82 -6.785 -6.603 11.885 629 H TRP 83 H TRP 83 -4.653 -4.339 12.669 630 HA TRP 83 HA TRP 83 -4.606 -5.002 9.984 631 1HB TRP 83 1HB TRP 83 -3.633 -2.557 11.453 632 2HB TRP 83 2HB TRP 83 -3.564 -2.673 9.697 633 HD1 TRP 83 HD TRP 83 -6.598 -4.318 11.136 634 HE1 TRP 83 1HE TRP 83 -8.667 -2.839 10.739 635 HE3 TRP 83 3HE TRP 83 -4.256 -0.042 9.597 636 HZ2 TRP 83 2HZ TRP 83 -9.231 -0.208 9.885 637 HZ3 TRP 83 3HZ TRP 83 -5.633 1.910 9.008 638 HH2 TRP 83 HH TRP 83 -8.069 1.827 9.149 639 H SER 84 H SER 84 -1.904 -4.519 12.205 640 HA SER 84 HA SER 84 0.120 -4.741 10.212 641 1HB SER 84 1HB SER 84 1.112 -3.754 11.994 642 2HB SER 84 2HB SER 84 0.005 -4.502 13.145 643 HG SER 84 HG SER 84 1.438 -5.989 13.505 644 H VAL 85 H VAL 85 -1.599 -7.008 12.238 645 HA VAL 85 HA VAL 85 0.027 -9.205 11.140 646 HB VAL 85 HB VAL 85 -0.766 -10.577 13.007 647 1HG1 VAL 85 1HG1 VAL 85 0.743 -9.771 14.530 648 2HG1 VAL 85 2HG1 VAL 85 1.228 -8.859 13.100 649 3HG1 VAL 85 3HG1 VAL 85 0.219 -8.099 14.331 650 1HG2 VAL 85 1HG2 VAL 85 -1.812 -8.432 14.647 651 2HG2 VAL 85 2HG2 VAL 85 -2.787 -8.683 13.198 652 3HG2 VAL 85 3HG2 VAL 85 -2.492 -10.024 14.305 653 H ALA 86 H ALA 86 -1.989 -8.022 9.575 654 HA ALA 86 HA ALA 86 -4.093 -10.085 9.594 655 1HB ALA 86 1HB ALA 86 -4.832 -7.964 7.881 656 2HB ALA 86 2HB ALA 86 -5.553 -8.426 9.424 657 3HB ALA 86 3HB ALA 86 -4.242 -7.247 9.381 658 H THR 87 H THR 87 -5.087 -9.997 7.134 659 HA THR 87 HA THR 87 -2.806 -10.744 5.427 660 HB THR 87 HB THR 87 -5.633 -11.676 4.983 661 HG1 THR 87 1HG THR 87 -5.409 -12.764 6.787 662 1HG2 THR 87 1HG2 THR 87 -4.032 -11.973 3.152 663 2HG2 THR 87 2HG2 THR 87 -4.513 -13.527 3.833 664 3HG2 THR 87 3HG2 THR 87 -2.943 -12.833 4.240 665 H PHE 88 H PHE 88 -2.373 -8.954 4.248 666 HA PHE 88 HA PHE 88 -4.587 -7.517 2.982 667 1HB PHE 88 1HB PHE 88 -1.749 -6.857 3.622 668 2HB PHE 88 2HB PHE 88 -2.501 -6.045 2.253 669 HD1 PHE 88 1HD PHE 88 -3.989 -7.061 5.503 670 HD2 PHE 88 2HD PHE 88 -2.815 -3.860 2.955 671 HE1 PHE 88 1HE PHE 88 -5.042 -5.455 7.041 672 HE2 PHE 88 2HE PHE 88 -3.865 -2.249 4.490 673 HZ PHE 88 HZ PHE 88 -4.980 -3.045 6.536 674 H TYR 89 H TYR 89 -5.208 -8.320 1.088 675 HA TYR 89 HA TYR 89 -3.251 -9.597 -0.665 676 1HB TYR 89 1HB TYR 89 -6.269 -9.480 -0.732 677 2HB TYR 89 2HB TYR 89 -5.300 -10.232 -1.994 678 HD1 TYR 89 1HD TYR 89 -3.809 -12.185 -1.362 679 HD2 TYR 89 2HD TYR 89 -6.818 -10.656 1.228 680 HE1 TYR 89 1HE TYR 89 -3.770 -14.287 -0.085 681 HE2 TYR 89 2HE TYR 89 -6.786 -12.753 2.513 682 HH TYR 89 HH TYR 89 -5.536 -15.545 1.442 683 H LEU 90 H LEU 90 -2.600 -8.781 -2.577 684 HA LEU 90 HA LEU 90 -3.462 -6.063 -3.224 685 1HB LEU 90 1HB LEU 90 -1.143 -7.700 -4.238 686 2HB LEU 90 2HB LEU 90 -1.490 -6.038 -4.708 687 HG LEU 90 HG LEU 90 0.228 -5.860 -3.136 688 1HD1 LEU 90 1HD1 LEU 90 -2.180 -5.547 -1.373 689 2HD1 LEU 90 2HD1 LEU 90 -1.862 -4.458 -2.723 690 3HD1 LEU 90 3HD1 LEU 90 -0.700 -4.589 -1.403 691 1HD2 LEU 90 1HD2 LEU 90 0.469 -7.108 -1.171 692 2HD2 LEU 90 2HD2 LEU 90 -0.107 -8.274 -2.363 693 3HD2 LEU 90 3HD2 LEU 90 -1.223 -7.605 -1.172 694 H PHE 91 H PHE 91 -4.413 -5.496 -5.125 695 HA PHE 91 HA PHE 91 -4.699 -7.461 -7.250 696 1HB PHE 91 1HB PHE 91 -6.865 -6.703 -5.410 697 2HB PHE 91 2HB PHE 91 -7.283 -6.574 -7.115 698 HD1 PHE 91 1HD PHE 91 -6.815 -8.775 -4.337 699 HD2 PHE 91 2HD PHE 91 -6.958 -8.604 -8.588 700 HE1 PHE 91 1HE PHE 91 -7.207 -11.202 -4.418 701 HE2 PHE 91 2HE PHE 91 -7.352 -11.031 -8.675 702 HZ PHE 91 HZ PHE 91 -7.478 -12.333 -6.589 703 H ASP 92 H ASP 92 -6.312 -6.349 -8.973 704 HA ASP 92 HA ASP 92 -5.786 -3.487 -9.158 705 1HB ASP 92 1HB ASP 92 -5.038 -3.894 -11.597 706 2HB ASP 92 2HB ASP 92 -3.872 -4.190 -10.310 707 H ASP 93 H ASP 93 -6.664 -2.874 -11.585 708 HA ASP 93 HA ASP 93 -9.477 -3.339 -11.399 709 1HB ASP 93 1HB ASP 93 -9.702 -1.786 -13.177 710 2HB ASP 93 2HB ASP 93 -8.345 -1.211 -12.213 711 H ALA 94 H ALA 94 -7.017 -5.169 -12.663 712 HA ALA 94 HA ALA 94 -8.590 -6.260 -14.871 713 1HB ALA 94 1HB ALA 94 -5.959 -7.426 -14.186 714 2HB ALA 94 2HB ALA 94 -6.656 -7.039 -15.759 715 3HB ALA 94 3HB ALA 94 -5.970 -5.758 -14.760 716 H GLY 95 H GLY 95 -8.517 -6.696 -11.649 717 1HA GLY 95 2HA GLY 95 -9.394 -8.353 -10.312 718 2HA GLY 95 1HA GLY 95 -9.816 -9.229 -11.775 719 H GLU 96 H GLU 96 -6.543 -8.223 -11.077 720 HA GLU 96 HA GLU 96 -5.850 -10.983 -10.347 721 1HB GLU 96 1HB GLU 96 -3.947 -10.974 -11.830 722 2HB GLU 96 2HB GLU 96 -5.394 -10.609 -12.760 723 1HG GLU 96 1HG GLU 96 -4.832 -8.252 -12.763 724 2HG GLU 96 2HG GLU 96 -3.414 -8.572 -11.765 725 H GLU 97 H GLU 97 -3.795 -11.195 -9.242 726 HA GLU 97 HA GLU 97 -3.298 -8.903 -7.517 727 1HB GLU 97 1HB GLU 97 -3.626 -11.051 -6.436 728 2HB GLU 97 2HB GLU 97 -2.328 -11.761 -7.385 729 1HG GLU 97 1HG GLU 97 -0.719 -10.918 -6.067 730 2HG GLU 97 2HG GLU 97 -1.577 -9.400 -5.809 731 H ASN 98 H ASN 98 -2.261 -7.666 -9.239 732 HA ASN 98 HA ASN 98 0.549 -8.472 -9.619 733 1HB ASN 98 1HB ASN 98 -1.360 -7.130 -11.523 734 2HB ASN 98 2HB ASN 98 0.384 -6.986 -11.722 735 1HD2 ASN 98 1HD2 ASN 98 -1.937 -9.569 -10.971 736 2HD2 ASN 98 2HD2 ASN 98 -1.305 -10.699 -12.116 737 H PHE 99 H PHE 99 1.728 -6.282 -10.495 738 HA PHE 99 HA PHE 99 1.130 -4.219 -8.478 739 1HB PHE 99 1HB PHE 99 3.667 -3.747 -8.672 740 2HB PHE 99 2HB PHE 99 3.146 -5.146 -7.738 741 HD1 PHE 99 1HD PHE 99 4.847 -3.997 -10.745 742 HD2 PHE 99 2HD PHE 99 3.476 -7.403 -8.590 743 HE1 PHE 99 1HE PHE 99 6.272 -5.445 -12.133 744 HE2 PHE 99 2HE PHE 99 4.900 -8.856 -9.974 745 HZ PHE 99 HZ PHE 99 6.301 -7.878 -11.747 746 H SER 100 H SER 100 -0.218 -3.690 -10.574 747 HA SER 100 HA SER 100 1.261 -2.379 -12.667 748 1HB SER 100 1HB SER 100 -0.961 -3.546 -12.986 749 2HB SER 100 2HB SER 100 -1.710 -2.196 -12.134 750 HG SER 100 HG SER 100 -1.817 -1.542 -14.178 751 H SER 101 H SER 101 0.050 -0.093 -13.252 752 HA SER 101 HA SER 101 1.227 1.810 -11.638 753 1HB SER 101 1HB SER 101 -0.264 1.830 -13.989 754 2HB SER 101 2HB SER 101 -1.200 2.833 -12.881 755 HG SER 101 HG SER 101 0.704 3.727 -14.224 756 H ARG 102 H ARG 102 -1.865 0.247 -11.296 757 HA ARG 102 HA ARG 102 -2.258 1.687 -8.765 758 1HB ARG 102 1HB ARG 102 -3.783 2.689 -10.370 759 2HB ARG 102 2HB ARG 102 -4.383 1.103 -10.833 760 1HG ARG 102 1HG ARG 102 -5.982 1.350 -9.323 761 2HG ARG 102 2HG ARG 102 -4.743 1.242 -8.071 762 1HD ARG 102 1HD ARG 102 -4.682 3.501 -7.743 763 2HD ARG 102 2HD ARG 102 -5.141 3.863 -9.407 764 HE ARG 102 HE ARG 102 -6.891 3.550 -7.172 765 1HH1 ARG 102 2HH1 ARG 102 -6.633 3.164 -10.622 766 2HH1 ARG 102 1HH1 ARG 102 -8.336 3.328 -10.899 767 1HH2 ARG 102 2HH2 ARG 102 -9.135 3.769 -7.523 768 2HH2 ARG 102 1HH2 ARG 102 -9.757 3.674 -9.136 769 H MET 103 H MET 103 -2.624 0.390 -7.079 770 HA MET 103 HA MET 103 -3.560 -2.352 -7.596 771 1HB MET 103 1HB MET 103 -2.019 -3.204 -5.918 772 2HB MET 103 2HB MET 103 -1.131 -2.365 -7.183 773 1HG MET 103 1HG MET 103 -1.233 -0.334 -5.611 774 2HG MET 103 2HG MET 103 -1.653 -1.508 -4.367 775 1HE MET 103 1HE MET 103 0.896 -2.550 -2.868 776 2HE MET 103 2HE MET 103 -0.514 -3.278 -3.638 777 3HE MET 103 3HE MET 103 1.106 -3.839 -4.053 778 H TYR 104 H TYR 104 -5.302 -2.884 -6.457 779 HA TYR 104 HA TYR 104 -6.300 -1.081 -4.434 780 1HB TYR 104 1HB TYR 104 -7.402 -3.591 -5.694 781 2HB TYR 104 2HB TYR 104 -8.225 -2.750 -4.385 782 HD1 TYR 104 1HD TYR 104 -8.507 -3.234 -7.684 783 HD2 TYR 104 2HD TYR 104 -8.037 0.026 -4.991 784 HE1 TYR 104 1HE TYR 104 -9.568 -1.736 -9.322 785 HE2 TYR 104 2HE TYR 104 -9.097 1.533 -6.621 786 HH TYR 104 HH TYR 104 -10.768 0.405 -9.351 787 H CYS 105 H CYS 105 -7.155 -1.947 -2.361 788 HA CYS 105 HA CYS 105 -5.375 -4.030 -1.275 789 1HB CYS 105 1HB CYS 105 -5.663 -2.781 0.930 790 2HB CYS 105 2HB CYS 105 -4.659 -2.003 -0.288 791 HG CYS 105 HG CYS 105 -5.996 0.088 0.771 792 H SER 106 H SER 106 -6.824 -5.715 -1.509 793 HA SER 106 HA SER 106 -9.416 -5.462 -0.157 794 1HB SER 106 1HB SER 106 -9.525 -7.904 -1.327 795 2HB SER 106 2HB SER 106 -10.009 -6.414 -2.136 796 HG SER 106 HG SER 106 -8.140 -6.390 -3.246 797 H PHE 107 H PHE 107 -9.980 -6.713 1.561 798 HA PHE 107 HA PHE 107 -7.839 -7.937 3.042 799 1HB PHE 107 1HB PHE 107 -9.509 -8.265 4.795 800 2HB PHE 107 2HB PHE 107 -9.590 -6.620 4.170 801 HD1 PHE 107 1HD PHE 107 -11.287 -9.850 4.374 802 HD2 PHE 107 2HD PHE 107 -11.496 -5.862 2.900 803 HE1 PHE 107 1HE PHE 107 -13.690 -10.143 3.932 804 HE2 PHE 107 2HE PHE 107 -13.900 -6.148 2.457 805 HZ PHE 107 HZ PHE 107 -15.000 -8.290 2.974 806 H TYR 108 H TYR 108 -10.650 -9.024 1.233 807 HA TYR 108 HA TYR 108 -10.485 -11.749 2.043 808 1HB TYR 108 1HB TYR 108 -12.115 -12.180 0.310 809 2HB TYR 108 2HB TYR 108 -12.549 -10.690 1.142 810 HD1 TYR 108 1HD TYR 108 -11.716 -12.203 -2.015 811 HD2 TYR 108 2HD TYR 108 -12.024 -8.486 0.033 812 HE1 TYR 108 1HE TYR 108 -11.779 -11.026 -4.174 813 HE2 TYR 108 2HE TYR 108 -12.089 -7.299 -2.120 814 HH TYR 108 HH TYR 108 -12.886 -8.274 -4.737 815 HA PRO 109 HA PRO 109 -7.311 -13.329 -0.545 816 1HB PRO 109 1HB PRO 109 -8.253 -15.820 -1.072 817 2HB PRO 109 2HB PRO 109 -7.622 -15.347 0.509 818 1HG PRO 109 1HG PRO 109 -10.462 -15.541 -0.416 819 2HG PRO 109 2HG PRO 109 -9.747 -16.066 1.120 820 1HD PRO 109 1HD PRO 109 -11.133 -13.753 0.873 821 2HD PRO 109 2HD PRO 109 -9.779 -13.939 2.006 822 HA PRO 110 HA PRO 110 -8.260 -12.948 -4.822 823 1HB PRO 110 1HB PRO 110 -6.617 -14.782 -5.966 824 2HB PRO 110 2HB PRO 110 -6.028 -13.274 -5.257 825 1HG PRO 110 1HG PRO 110 -6.067 -16.029 -4.087 826 2HG PRO 110 2HG PRO 110 -4.779 -14.810 -4.038 827 1HD PRO 110 1HD PRO 110 -6.450 -15.249 -1.953 828 2HD PRO 110 2HD PRO 110 -5.772 -13.648 -2.313 829 H ASP 111 H ASP 111 -7.834 -16.427 -4.127 830 HA ASP 111 HA ASP 111 -10.435 -17.247 -4.500 831 1HB ASP 111 1HB ASP 111 -9.269 -16.435 -6.973 832 2HB ASP 111 2HB ASP 111 -9.478 -18.183 -7.015 833 H GLU 112 H GLU 112 -7.247 -18.218 -5.778 834 HA GLU 112 HA GLU 112 -6.160 -20.233 -5.703 835 1HB GLU 112 1HB GLU 112 -5.816 -19.196 -3.427 836 2HB GLU 112 2HB GLU 112 -7.115 -20.224 -2.840 837 1HG GLU 112 1HG GLU 112 -5.771 -22.189 -3.671 838 2HG GLU 112 2HG GLU 112 -4.438 -21.061 -3.910 Start of MODEL 18 1 1H ALA 1 1H ALA 1 16.152 12.145 -8.731 2 HA ALA 1 HA ALA 1 13.429 11.112 -8.324 3 1HB ALA 1 1HB ALA 1 15.059 11.276 -10.619 4 2HB ALA 1 2HB ALA 1 14.904 9.565 -10.217 5 3HB ALA 1 3HB ALA 1 13.460 10.546 -10.468 6 HA PRO 2 HA PRO 2 14.772 7.759 -5.834 7 1HB PRO 2 1HB PRO 2 13.243 5.708 -6.741 8 2HB PRO 2 2HB PRO 2 12.589 7.044 -5.786 9 1HG PRO 2 1HG PRO 2 12.524 6.625 -8.750 10 2HG PRO 2 2HG PRO 2 11.236 7.194 -7.672 11 1HD PRO 2 1HD PRO 2 12.711 8.878 -9.195 12 2HD PRO 2 2HD PRO 2 12.067 9.343 -7.608 13 H ILE 3 H ILE 3 16.896 7.937 -7.096 14 HA ILE 3 HA ILE 3 17.363 5.831 -9.031 15 HB ILE 3 HB ILE 3 19.402 7.668 -7.778 16 1HG1 ILE 3 1HG1 ILE 3 17.841 8.044 -10.343 17 2HG1 ILE 3 2HG1 ILE 3 17.581 8.950 -8.857 18 1HG2 ILE 3 1HG2 ILE 3 19.546 5.503 -9.658 19 2HG2 ILE 3 2HG2 ILE 3 20.070 7.006 -10.416 20 3HG2 ILE 3 3HG2 ILE 3 20.850 6.446 -8.936 21 1HD1 ILE 3 1HD1 ILE 3 19.952 9.028 -10.690 22 2HD1 ILE 3 2HD1 ILE 3 18.858 10.339 -10.246 23 3HD1 ILE 3 3HD1 ILE 3 19.989 9.693 -9.057 24 H LYS 4 H LYS 4 18.656 4.035 -8.739 25 HA LYS 4 HA LYS 4 18.877 3.106 -6.000 26 1HB LYS 4 1HB LYS 4 19.491 0.951 -7.014 27 2HB LYS 4 2HB LYS 4 17.991 1.581 -7.682 28 1HG LYS 4 1HG LYS 4 18.868 1.871 -9.746 29 2HG LYS 4 2HG LYS 4 20.473 2.269 -9.129 30 1HD LYS 4 1HD LYS 4 20.684 0.179 -10.220 31 2HD LYS 4 2HD LYS 4 20.691 -0.168 -8.489 32 1HE LYS 4 1HE LYS 4 18.521 -1.025 -8.533 33 2HE LYS 4 2HE LYS 4 18.147 -0.252 -10.072 34 1HZ LYS 4 1HZ LYS 4 19.844 -1.767 -11.079 35 2HZ LYS 4 2HZ LYS 4 18.455 -2.539 -10.500 36 3HZ LYS 4 3HZ LYS 4 19.891 -2.603 -9.609 37 H GLY 5 H GLY 5 20.766 2.575 -4.940 38 1HA GLY 5 2HA GLY 5 23.002 2.634 -4.416 39 2HA GLY 5 1HA GLY 5 23.327 2.556 -6.141 40 H VAL 6 H VAL 6 23.592 4.474 -7.321 41 HA VAL 6 HA VAL 6 23.325 7.052 -6.147 42 HB VAL 6 HB VAL 6 25.392 6.130 -4.992 43 1HG1 VAL 6 1HG1 VAL 6 26.194 5.094 -7.214 44 2HG1 VAL 6 2HG1 VAL 6 26.815 6.709 -7.564 45 3HG1 VAL 6 3HG1 VAL 6 27.388 5.831 -6.146 46 1HG2 VAL 6 1HG2 VAL 6 26.395 8.475 -6.414 47 2HG2 VAL 6 2HG2 VAL 6 24.743 8.660 -5.826 48 3HG2 VAL 6 3HG2 VAL 6 26.039 8.255 -4.701 49 H THR 7 H THR 7 22.769 5.513 -8.619 50 HA THR 7 HA THR 7 24.415 6.557 -10.704 51 HB THR 7 HB THR 7 21.667 5.758 -11.419 52 HG1 THR 7 1HG THR 7 23.466 3.989 -10.097 53 1HG2 THR 7 1HG2 THR 7 23.269 6.003 -13.164 54 2HG2 THR 7 2HG2 THR 7 22.989 4.272 -12.971 55 3HG2 THR 7 3HG2 THR 7 24.448 5.009 -12.308 56 H PHE 8 H PHE 8 23.443 7.861 -12.523 57 HA PHE 8 HA PHE 8 21.259 9.585 -12.094 58 1HB PHE 8 1HB PHE 8 22.315 11.662 -11.564 59 2HB PHE 8 2HB PHE 8 22.875 10.486 -10.380 60 HD1 PHE 8 1HD PHE 8 25.159 9.519 -10.600 61 HD2 PHE 8 2HD PHE 8 23.817 12.762 -13.007 62 HE1 PHE 8 1HE PHE 8 27.492 10.061 -11.164 63 HE2 PHE 8 2HE PHE 8 26.147 13.310 -13.576 64 HZ PHE 8 HZ PHE 8 27.989 11.958 -12.655 65 H GLY 9 H GLY 9 20.657 10.461 -13.994 66 1HA GLY 9 2HA GLY 9 20.658 10.840 -16.261 67 2HA GLY 9 1HA GLY 9 22.256 11.516 -15.983 68 H GLU 10 H GLU 10 20.531 8.491 -16.616 69 HA GLU 10 HA GLU 10 23.015 7.393 -17.752 70 1HB GLU 10 1HB GLU 10 20.724 6.179 -16.308 71 2HB GLU 10 2HB GLU 10 21.426 5.232 -17.613 72 1HG GLU 10 1HG GLU 10 23.092 6.413 -15.417 73 2HG GLU 10 2HG GLU 10 22.325 4.832 -15.279 74 H ASP 11 H ASP 11 19.487 7.290 -18.271 75 HA ASP 11 HA ASP 11 19.793 7.875 -21.065 76 1HB ASP 11 1HB ASP 11 20.140 5.257 -20.530 77 2HB ASP 11 2HB ASP 11 18.385 5.296 -20.675 78 H THR 12 H THR 12 17.623 6.544 -18.590 79 HA THR 12 HA THR 12 15.732 8.636 -18.911 80 HB THR 12 HB THR 12 15.136 7.440 -20.949 81 HG1 THR 12 1HG THR 12 12.932 7.184 -20.452 82 1HG2 THR 12 1HG2 THR 12 15.510 5.227 -20.957 83 2HG2 THR 12 2HG2 THR 12 13.937 5.090 -20.173 84 3HG2 THR 12 3HG2 THR 12 15.407 5.116 -19.201 85 H VAL 13 H VAL 13 13.763 8.267 -17.573 86 HA VAL 13 HA VAL 13 14.511 6.847 -15.146 87 HB VAL 13 HB VAL 13 11.961 8.390 -15.443 88 1HG1 VAL 13 1HG1 VAL 13 13.197 8.982 -13.037 89 2HG1 VAL 13 2HG1 VAL 13 11.889 7.825 -13.288 90 3HG1 VAL 13 3HG1 VAL 13 13.566 7.278 -13.299 91 1HG2 VAL 13 1HG2 VAL 13 13.308 10.042 -16.300 92 2HG2 VAL 13 2HG2 VAL 13 13.467 10.354 -14.572 93 3HG2 VAL 13 3HG2 VAL 13 14.736 9.482 -15.431 94 H TRP 14 H TRP 14 12.823 5.605 -13.971 95 HA TRP 14 HA TRP 14 11.386 3.849 -13.821 96 1HB TRP 14 1HB TRP 14 10.254 5.447 -16.063 97 2HB TRP 14 2HB TRP 14 9.650 3.806 -15.851 98 HD1 TRP 14 HD TRP 14 10.119 6.989 -13.671 99 HE1 TRP 14 1HE TRP 14 8.154 7.103 -12.013 100 HE3 TRP 14 3HE TRP 14 7.762 2.623 -14.905 101 HZ2 TRP 14 2HZ TRP 14 5.903 5.547 -11.319 102 HZ3 TRP 14 3HZ TRP 14 5.709 2.009 -13.696 103 HH2 TRP 14 HH TRP 14 4.801 3.441 -11.940 104 H GLU 15 H GLU 15 13.870 3.871 -15.651 105 HA GLU 15 HA GLU 15 13.320 1.245 -16.841 106 1HB GLU 15 1HB GLU 15 14.220 3.696 -18.211 107 2HB GLU 15 2HB GLU 15 15.145 2.250 -18.591 108 1HG GLU 15 1HG GLU 15 12.216 1.958 -18.655 109 2HG GLU 15 2HG GLU 15 12.921 2.993 -19.895 110 H VAL 16 H VAL 16 15.741 3.576 -15.748 111 HA VAL 16 HA VAL 16 17.631 1.361 -15.323 112 HB VAL 16 HB VAL 16 18.426 4.238 -15.104 113 1HG1 VAL 16 1HG1 VAL 16 19.719 1.651 -15.192 114 2HG1 VAL 16 2HG1 VAL 16 20.376 2.752 -16.406 115 3HG1 VAL 16 3HG1 VAL 16 20.365 3.218 -14.704 116 1HG2 VAL 16 1HG2 VAL 16 18.111 2.694 -17.676 117 2HG2 VAL 16 2HG2 VAL 16 17.256 4.165 -17.211 118 3HG2 VAL 16 3HG2 VAL 16 18.992 4.215 -17.518 119 H GLN 17 H GLN 17 16.013 4.065 -13.765 120 HA GLN 17 HA GLN 17 17.309 4.147 -11.331 121 1HB GLN 17 1HB GLN 17 15.528 5.379 -10.558 122 2HB GLN 17 2HB GLN 17 15.283 5.521 -12.294 123 1HG GLN 17 1HG GLN 17 13.698 3.591 -12.137 124 2HG GLN 17 2HG GLN 17 13.838 3.706 -10.384 125 1HE2 GLN 17 1HE2 GLN 17 11.453 4.005 -11.884 126 2HE2 GLN 17 2HE2 GLN 17 10.878 5.616 -11.641 127 H GLY 18 H GLY 18 15.068 1.769 -12.551 128 1HA GLY 18 2HA GLY 18 14.528 -0.321 -11.755 129 2HA GLY 18 1HA GLY 18 15.807 -0.125 -10.566 130 H TYR 19 H TYR 19 12.941 1.899 -11.009 131 HA TYR 19 HA TYR 19 11.651 0.770 -8.677 132 1HB TYR 19 1HB TYR 19 12.817 3.551 -8.681 133 2HB TYR 19 2HB TYR 19 11.511 3.079 -7.599 134 HD1 TYR 19 1HD TYR 19 15.014 3.268 -7.998 135 HD2 TYR 19 2HD TYR 19 11.964 0.953 -6.143 136 HE1 TYR 19 1HE TYR 19 16.665 2.381 -6.405 137 HE2 TYR 19 2HE TYR 19 13.607 0.060 -4.544 138 HH TYR 19 HH TYR 19 16.633 1.394 -4.079 139 H LYS 20 H LYS 20 9.619 2.157 -8.156 140 HA LYS 20 HA LYS 20 8.506 3.521 -10.462 141 1HB LYS 20 1HB LYS 20 7.468 0.877 -9.460 142 2HB LYS 20 2HB LYS 20 6.444 2.003 -10.341 143 1HG LYS 20 1HG LYS 20 7.146 0.755 -12.088 144 2HG LYS 20 2HG LYS 20 8.483 1.906 -12.046 145 1HD LYS 20 1HD LYS 20 9.947 0.296 -11.565 146 2HD LYS 20 2HD LYS 20 8.948 -0.295 -10.235 147 1HE LYS 20 1HE LYS 20 8.797 -2.135 -11.532 148 2HE LYS 20 2HE LYS 20 7.526 -1.208 -12.328 149 1HZ LYS 20 1HZ LYS 20 10.326 -1.005 -13.232 150 2HZ LYS 20 2HZ LYS 20 8.906 -0.675 -14.090 151 3HZ LYS 20 3HZ LYS 20 9.342 -2.276 -13.760 152 H ASN 21 H ASN 21 5.949 3.802 -9.842 153 HA ASN 21 HA ASN 21 5.727 4.478 -7.008 154 1HB ASN 21 1HB ASN 21 5.170 6.485 -9.204 155 2HB ASN 21 2HB ASN 21 4.981 6.749 -7.473 156 1HD2 ASN 21 1HD2 ASN 21 7.284 6.224 -10.052 157 2HD2 ASN 21 2HD2 ASN 21 8.650 6.883 -9.224 158 H VAL 22 H VAL 22 4.003 3.308 -6.453 159 HA VAL 22 HA VAL 22 1.613 3.456 -8.175 160 HB VAL 22 HB VAL 22 2.641 1.182 -8.036 161 1HG1 VAL 22 1HG1 VAL 22 1.597 0.855 -5.280 162 2HG1 VAL 22 2HG1 VAL 22 2.936 0.041 -6.091 163 3HG1 VAL 22 3HG1 VAL 22 3.143 1.680 -5.473 164 1HG2 VAL 22 1HG2 VAL 22 0.609 0.193 -8.180 165 2HG2 VAL 22 2HG2 VAL 22 0.040 0.887 -6.662 166 3HG2 VAL 22 3HG2 VAL 22 0.050 1.865 -8.129 167 H ARG 23 H ARG 23 -0.434 3.519 -7.129 168 HA ARG 23 HA ARG 23 -0.340 4.335 -4.301 169 1HB ARG 23 1HB ARG 23 -1.575 5.705 -6.644 170 2HB ARG 23 2HB ARG 23 -2.412 5.789 -5.100 171 1HG ARG 23 1HG ARG 23 0.317 6.369 -4.626 172 2HG ARG 23 2HG ARG 23 -0.208 7.322 -6.016 173 1HD ARG 23 1HD ARG 23 -2.318 7.615 -4.318 174 2HD ARG 23 2HD ARG 23 -0.966 7.524 -3.190 175 HE ARG 23 HE ARG 23 -0.291 9.592 -3.893 176 1HH1 ARG 23 2HH1 ARG 23 -2.529 8.279 -6.215 177 2HH1 ARG 23 1HH1 ARG 23 -2.633 9.742 -7.137 178 1HH2 ARG 23 2HH2 ARG 23 -0.419 11.524 -5.099 179 2HH2 ARG 23 1HH2 ARG 23 -1.432 11.587 -6.502 180 H ILE 24 H ILE 24 -2.322 4.010 -3.113 181 HA ILE 24 HA ILE 24 -3.917 1.791 -4.213 182 HB ILE 24 HB ILE 24 -3.632 2.434 -1.286 183 1HG1 ILE 24 1HG1 ILE 24 -1.392 2.009 -2.139 184 2HG1 ILE 24 2HG1 ILE 24 -1.937 0.632 -1.187 185 1HG2 ILE 24 1HG2 ILE 24 -4.051 -0.326 -2.116 186 2HG2 ILE 24 2HG2 ILE 24 -4.918 0.644 -0.927 187 3HG2 ILE 24 3HG2 ILE 24 -5.341 0.759 -2.635 188 1HD1 ILE 24 1HD1 ILE 24 -1.165 0.780 -3.976 189 2HD1 ILE 24 2HD1 ILE 24 -1.291 -0.615 -2.904 190 3HD1 ILE 24 3HD1 ILE 24 -2.722 -0.015 -3.742 191 H THR 25 H THR 25 -6.119 1.873 -4.162 192 HA THR 25 HA THR 25 -7.544 3.887 -2.689 193 HB THR 25 HB THR 25 -7.649 4.060 -5.705 194 HG1 THR 25 1HG THR 25 -5.962 5.310 -5.503 195 1HG2 THR 25 1HG2 THR 25 -9.102 5.372 -3.464 196 2HG2 THR 25 2HG2 THR 25 -9.685 4.879 -5.054 197 3HG2 THR 25 3HG2 THR 25 -8.718 6.344 -4.884 198 H PHE 26 H PHE 26 -8.086 1.495 -2.144 199 HA PHE 26 HA PHE 26 -10.386 0.688 -3.800 200 1HB PHE 26 1HB PHE 26 -8.340 -0.870 -3.748 201 2HB PHE 26 2HB PHE 26 -8.804 -1.217 -2.085 202 HD1 PHE 26 1HD PHE 26 -10.008 -3.134 -1.777 203 HD2 PHE 26 2HD PHE 26 -10.476 -0.979 -5.417 204 HE1 PHE 26 1HE PHE 26 -11.596 -4.835 -2.576 205 HE2 PHE 26 2HE PHE 26 -12.066 -2.676 -6.222 206 HZ PHE 26 HZ PHE 26 -12.628 -4.607 -4.800 207 H GLU 27 H GLU 27 -9.177 -0.170 -0.561 208 HA GLU 27 HA GLU 27 -11.119 1.198 0.910 209 1HB GLU 27 1HB GLU 27 -12.605 -0.674 1.556 210 2HB GLU 27 2HB GLU 27 -12.750 -0.246 -0.143 211 1HG GLU 27 1HG GLU 27 -10.838 -2.186 -0.218 212 2HG GLU 27 2HG GLU 27 -11.867 -2.735 1.103 213 H LEU 28 H LEU 28 -11.148 0.571 3.191 214 HA LEU 28 HA LEU 28 -9.481 -1.466 4.219 215 1HB LEU 28 1HB LEU 28 -8.118 0.841 3.366 216 2HB LEU 28 2HB LEU 28 -8.164 0.916 5.126 217 HG LEU 28 HG LEU 28 -7.363 -1.662 4.688 218 1HD1 LEU 28 1HD1 LEU 28 -6.899 -0.234 2.256 219 2HD1 LEU 28 2HD1 LEU 28 -6.530 -1.912 2.651 220 3HD1 LEU 28 3HD1 LEU 28 -5.355 -0.645 3.002 221 1HD2 LEU 28 1HD2 LEU 28 -6.469 0.421 6.078 222 2HD2 LEU 28 2HD2 LEU 28 -5.256 0.422 4.797 223 3HD2 LEU 28 3HD2 LEU 28 -5.486 -1.016 5.794 224 H ASP 29 H ASP 29 -10.663 1.825 4.859 225 HA ASP 29 HA ASP 29 -11.909 0.819 7.316 226 1HB ASP 29 1HB ASP 29 -9.620 2.338 7.401 227 2HB ASP 29 2HB ASP 29 -10.883 3.557 7.559 228 H GLU 30 H GLU 30 -13.162 2.970 8.254 229 HA GLU 30 HA GLU 30 -14.766 3.951 5.984 230 1HB GLU 30 1HB GLU 30 -15.614 2.964 8.692 231 2HB GLU 30 2HB GLU 30 -16.636 4.057 7.769 232 1HG GLU 30 1HG GLU 30 -15.989 2.106 5.940 233 2HG GLU 30 2HG GLU 30 -16.179 1.209 7.445 234 H ARG 31 H ARG 31 -13.333 4.665 9.099 235 HA ARG 31 HA ARG 31 -14.158 7.470 8.871 236 1HB ARG 31 1HB ARG 31 -14.193 5.839 11.038 237 2HB ARG 31 2HB ARG 31 -12.619 6.597 11.236 238 1HG ARG 31 1HG ARG 31 -13.687 8.263 12.239 239 2HG ARG 31 2HG ARG 31 -14.290 8.713 10.643 240 1HD ARG 31 1HD ARG 31 -16.317 7.560 10.969 241 2HD ARG 31 2HD ARG 31 -15.685 6.685 12.363 242 HE ARG 31 HE ARG 31 -15.695 9.496 12.805 243 1HH1 ARG 31 2HH1 ARG 31 -17.734 6.676 12.749 244 2HH1 ARG 31 1HH1 ARG 31 -18.887 7.326 13.867 245 1HH2 ARG 31 2HH2 ARG 31 -17.205 10.364 14.278 246 2HH2 ARG 31 1HH2 ARG 31 -18.585 9.425 14.735 247 H VAL 32 H VAL 32 -11.359 5.377 8.877 248 HA VAL 32 HA VAL 32 -9.634 7.725 8.432 249 HB VAL 32 HB VAL 32 -7.738 6.278 9.113 250 1HG1 VAL 32 1HG1 VAL 32 -8.121 7.395 11.003 251 2HG1 VAL 32 2HG1 VAL 32 -9.871 7.261 10.816 252 3HG1 VAL 32 3HG1 VAL 32 -8.962 5.953 11.572 253 1HG2 VAL 32 1HG2 VAL 32 -8.809 4.121 8.557 254 2HG2 VAL 32 2HG2 VAL 32 -8.139 4.150 10.189 255 3HG2 VAL 32 3HG2 VAL 32 -9.878 4.321 9.946 256 H ASP 33 H ASP 33 -11.166 6.658 6.336 257 HA ASP 33 HA ASP 33 -9.690 4.798 4.772 258 1HB ASP 33 1HB ASP 33 -11.213 5.467 2.942 259 2HB ASP 33 2HB ASP 33 -12.082 5.094 4.428 260 H LYS 34 H LYS 34 -10.044 8.333 4.632 261 HA LYS 34 HA LYS 34 -8.202 8.641 2.475 262 1HB LYS 34 1HB LYS 34 -8.594 10.926 2.650 263 2HB LYS 34 2HB LYS 34 -10.089 10.238 3.268 264 1HG LYS 34 1HG LYS 34 -7.806 11.217 4.969 265 2HG LYS 34 2HG LYS 34 -9.277 12.126 4.613 266 1HD LYS 34 1HD LYS 34 -10.466 9.992 5.550 267 2HD LYS 34 2HD LYS 34 -8.904 9.703 6.320 268 1HE LYS 34 1HE LYS 34 -9.374 11.192 7.898 269 2HE LYS 34 2HE LYS 34 -9.627 12.441 6.680 270 1HZ LYS 34 1HZ LYS 34 -11.536 11.179 8.293 271 2HZ LYS 34 2HZ LYS 34 -11.864 10.764 6.687 272 3HZ LYS 34 3HZ LYS 34 -11.777 12.392 7.139 273 H VAL 35 H VAL 35 -7.819 8.049 5.780 274 HA VAL 35 HA VAL 35 -5.398 9.476 6.242 275 HB VAL 35 HB VAL 35 -6.525 7.066 7.675 276 1HG1 VAL 35 1HG1 VAL 35 -4.274 8.932 8.405 277 2HG1 VAL 35 2HG1 VAL 35 -5.033 7.805 9.531 278 3HG1 VAL 35 3HG1 VAL 35 -4.175 7.195 8.115 279 1HG2 VAL 35 1HG2 VAL 35 -7.107 8.842 9.392 280 2HG2 VAL 35 2HG2 VAL 35 -6.780 10.028 8.129 281 3HG2 VAL 35 3HG2 VAL 35 -8.064 8.839 7.911 282 H LEU 36 H LEU 36 -6.159 6.552 4.622 283 HA LEU 36 HA LEU 36 -3.296 5.863 4.503 284 1HB LEU 36 1HB LEU 36 -3.806 3.581 4.415 285 2HB LEU 36 2HB LEU 36 -4.827 4.233 5.695 286 HG LEU 36 HG LEU 36 -6.344 4.319 3.316 287 1HD1 LEU 36 1HD1 LEU 36 -4.647 1.886 3.580 288 2HD1 LEU 36 2HD1 LEU 36 -5.194 2.731 2.132 289 3HD1 LEU 36 3HD1 LEU 36 -6.315 1.712 3.034 290 1HD2 LEU 36 1HD2 LEU 36 -6.512 2.360 5.601 291 2HD2 LEU 36 2HD2 LEU 36 -7.817 2.867 4.528 292 3HD2 LEU 36 3HD2 LEU 36 -7.111 4.018 5.664 293 H ASN 37 H ASN 37 -5.633 7.286 2.800 294 HA ASN 37 HA ASN 37 -4.693 6.175 0.237 295 1HB ASN 37 1HB ASN 37 -6.995 5.651 0.349 296 2HB ASN 37 2HB ASN 37 -7.404 7.222 1.031 297 1HD2 ASN 37 1HD2 ASN 37 -8.157 8.703 -0.303 298 2HD2 ASN 37 2HD2 ASN 37 -8.021 8.676 -2.026 299 H GLU 38 H GLU 38 -5.164 8.978 2.195 300 HA GLU 38 HA GLU 38 -4.122 10.663 0.012 301 1HB GLU 38 1HB GLU 38 -6.241 11.547 0.395 302 2HB GLU 38 2HB GLU 38 -6.171 11.229 2.123 303 1HG GLU 38 1HG GLU 38 -5.124 13.168 2.579 304 2HG GLU 38 2HG GLU 38 -4.186 13.141 1.087 305 H LYS 39 H LYS 39 -3.953 9.798 3.395 306 HA LYS 39 HA LYS 39 -1.963 11.761 4.058 307 1HB LYS 39 1HB LYS 39 -3.682 10.153 5.509 308 2HB LYS 39 2HB LYS 39 -2.109 9.430 5.815 309 1HG LYS 39 1HG LYS 39 -1.447 11.127 7.108 310 2HG LYS 39 2HG LYS 39 -2.136 12.345 6.031 311 1HD LYS 39 1HD LYS 39 -4.171 10.773 7.391 312 2HD LYS 39 2HD LYS 39 -3.106 11.621 8.515 313 1HE LYS 39 1HE LYS 39 -4.457 12.949 6.174 314 2HE LYS 39 2HE LYS 39 -5.151 12.894 7.793 315 1HZ LYS 39 1HZ LYS 39 -2.891 13.894 8.481 316 2HZ LYS 39 2HZ LYS 39 -4.055 14.902 7.782 317 3HZ LYS 39 3HZ LYS 39 -2.762 14.333 6.852 318 H CYS 40 H CYS 40 -1.982 8.482 2.891 319 HA CYS 40 HA CYS 40 0.694 8.554 2.059 320 1HB CYS 40 1HB CYS 40 1.293 8.393 4.392 321 2HB CYS 40 2HB CYS 40 0.192 7.040 4.627 322 HG CYS 40 HG CYS 40 1.994 5.263 4.261 323 H SER 41 H SER 41 -0.396 7.777 0.213 324 HA SER 41 HA SER 41 -1.156 4.933 0.371 325 1HB SER 41 1HB SER 41 -2.888 6.877 -0.274 326 2HB SER 41 2HB SER 41 -2.192 6.591 -1.870 327 HG SER 41 HG SER 41 -4.021 5.259 -1.437 328 H VAL 42 H VAL 42 1.022 7.161 -0.861 329 HA VAL 42 HA VAL 42 1.628 5.689 -3.293 330 HB VAL 42 HB VAL 42 1.811 8.079 -3.449 331 1HG1 VAL 42 1HG1 VAL 42 2.153 8.714 -1.180 332 2HG1 VAL 42 2HG1 VAL 42 3.687 7.846 -1.104 333 3HG1 VAL 42 3HG1 VAL 42 3.541 9.295 -2.099 334 1HG2 VAL 42 1HG2 VAL 42 4.566 6.850 -3.378 335 2HG2 VAL 42 2HG2 VAL 42 3.431 6.753 -4.724 336 3HG2 VAL 42 3HG2 VAL 42 4.103 8.313 -4.249 337 H TYR 43 H TYR 43 3.308 4.324 -3.581 338 HA TYR 43 HA TYR 43 5.356 4.096 -1.513 339 1HB TYR 43 1HB TYR 43 3.767 1.704 -2.460 340 2HB TYR 43 2HB TYR 43 5.072 1.698 -1.279 341 HD1 TYR 43 1HD TYR 43 4.662 2.206 1.002 342 HD2 TYR 43 2HD TYR 43 1.598 2.810 -1.887 343 HE1 TYR 43 1HE TYR 43 3.032 2.550 2.812 344 HE2 TYR 43 2HE TYR 43 -0.040 3.156 -0.085 345 HH TYR 43 HH TYR 43 0.400 4.005 2.664 346 H THR 44 H THR 44 7.275 3.086 -2.207 347 HA THR 44 HA THR 44 7.701 3.270 -5.070 348 HB THR 44 HB THR 44 9.882 2.384 -3.246 349 HG1 THR 44 1HG THR 44 9.786 4.127 -2.059 350 1HG2 THR 44 1HG2 THR 44 9.694 4.351 -5.531 351 2HG2 THR 44 2HG2 THR 44 10.363 2.720 -5.596 352 3HG2 THR 44 3HG2 THR 44 11.172 3.969 -4.649 353 H VAL 45 H VAL 45 8.309 1.612 -6.417 354 HA VAL 45 HA VAL 45 8.261 -1.105 -5.277 355 HB VAL 45 HB VAL 45 6.979 -0.187 -7.853 356 1HG1 VAL 45 1HG1 VAL 45 7.880 -2.833 -6.951 357 2HG1 VAL 45 2HG1 VAL 45 6.222 -2.773 -7.554 358 3HG1 VAL 45 3HG1 VAL 45 7.554 -2.236 -8.578 359 1HG2 VAL 45 1HG2 VAL 45 5.536 0.312 -6.054 360 2HG2 VAL 45 2HG2 VAL 45 4.942 -1.203 -6.734 361 3HG2 VAL 45 3HG2 VAL 45 5.889 -1.216 -5.246 362 H GLU 46 H GLU 46 10.215 -1.962 -5.509 363 HA GLU 46 HA GLU 46 12.253 -1.038 -7.143 364 1HB GLU 46 1HB GLU 46 11.873 -3.175 -5.320 365 2HB GLU 46 2HB GLU 46 12.553 -3.864 -6.787 366 1HG GLU 46 1HG GLU 46 14.209 -1.829 -6.569 367 2HG GLU 46 2HG GLU 46 13.734 -1.926 -4.875 368 H SER 47 H SER 47 13.371 -2.576 -8.809 369 HA SER 47 HA SER 47 11.431 -2.965 -10.946 370 1HB SER 47 1HB SER 47 14.199 -2.195 -10.799 371 2HB SER 47 2HB SER 47 14.031 -3.589 -11.865 372 HG SER 47 HG SER 47 12.920 -2.418 -13.247 373 H GLY 48 H GLY 48 12.576 -4.823 -8.524 374 1HA GLY 48 2HA GLY 48 12.012 -7.272 -10.015 375 2HA GLY 48 1HA GLY 48 13.582 -7.160 -9.233 376 H THR 49 H THR 49 10.155 -6.588 -8.423 377 HA THR 49 HA THR 49 10.633 -8.019 -5.891 378 HB THR 49 HB THR 49 10.199 -5.474 -5.758 379 HG1 THR 49 1HG THR 49 10.074 -6.618 -3.879 380 1HG2 THR 49 1HG2 THR 49 8.139 -5.885 -7.366 381 2HG2 THR 49 2HG2 THR 49 8.094 -4.639 -6.119 382 3HG2 THR 49 3HG2 THR 49 7.311 -6.195 -5.841 383 H GLU 50 H GLU 50 8.130 -8.290 -4.942 384 HA GLU 50 HA GLU 50 6.616 -9.631 -7.079 385 1HB GLU 50 1HB GLU 50 7.705 -10.761 -4.572 386 2HB GLU 50 2HB GLU 50 6.050 -11.211 -4.958 387 1HG GLU 50 1HG GLU 50 7.554 -11.488 -7.326 388 2HG GLU 50 2HG GLU 50 8.485 -12.229 -6.025 389 H VAL 51 H VAL 51 4.340 -9.969 -6.582 390 HA VAL 51 HA VAL 51 3.080 -7.663 -5.627 391 HB VAL 51 HB VAL 51 1.805 -10.392 -5.803 392 1HG1 VAL 51 1HG1 VAL 51 0.440 -8.702 -4.710 393 2HG1 VAL 51 2HG1 VAL 51 0.672 -7.609 -6.076 394 3HG1 VAL 51 3HG1 VAL 51 -0.229 -9.111 -6.289 395 1HG2 VAL 51 1HG2 VAL 51 2.989 -8.792 -7.875 396 2HG2 VAL 51 2HG2 VAL 51 2.241 -10.385 -7.984 397 3HG2 VAL 51 3HG2 VAL 51 1.250 -8.934 -8.130 398 H THR 52 H THR 52 4.290 -10.399 -3.949 399 HA THR 52 HA THR 52 2.621 -10.039 -1.613 400 HB THR 52 HB THR 52 3.290 -12.293 -2.083 401 HG1 THR 52 1HG THR 52 4.192 -12.803 -0.078 402 1HG2 THR 52 1HG2 THR 52 6.069 -11.150 -2.139 403 2HG2 THR 52 2HG2 THR 52 5.246 -12.110 -3.368 404 3HG2 THR 52 3HG2 THR 52 5.781 -12.868 -1.869 405 H GLU 53 H GLU 53 5.712 -8.976 -2.765 406 HA GLU 53 HA GLU 53 6.966 -8.353 -0.339 407 1HB GLU 53 1HB GLU 53 7.607 -8.118 -3.009 408 2HB GLU 53 2HB GLU 53 7.484 -6.442 -2.494 409 1HG GLU 53 1HG GLU 53 9.549 -6.601 -1.725 410 2HG GLU 53 2HG GLU 53 8.948 -7.707 -0.491 411 H PHE 54 H PHE 54 4.627 -6.577 -2.275 412 HA PHE 54 HA PHE 54 4.812 -4.140 -0.829 413 1HB PHE 54 1HB PHE 54 2.361 -5.060 -2.317 414 2HB PHE 54 2HB PHE 54 2.950 -3.416 -2.088 415 HD1 PHE 54 1HD PHE 54 2.619 -5.962 -4.400 416 HD2 PHE 54 2HD PHE 54 5.440 -3.077 -3.046 417 HE1 PHE 54 1HE PHE 54 3.776 -6.081 -6.568 418 HE2 PHE 54 2HE PHE 54 6.601 -3.191 -5.212 419 HZ PHE 54 HZ PHE 54 5.769 -4.693 -6.977 420 H ALA 55 H ALA 55 3.354 -7.149 -0.154 421 HA ALA 55 HA ALA 55 1.261 -6.209 1.552 422 1HB ALA 55 1HB ALA 55 2.022 -8.856 2.252 423 2HB ALA 55 2HB ALA 55 0.605 -8.316 1.351 424 3HB ALA 55 3HB ALA 55 2.099 -8.700 0.497 425 H CYS 56 H CYS 56 4.562 -6.181 1.884 426 HA CYS 56 HA CYS 56 4.406 -6.373 4.819 427 1HB CYS 56 1HB CYS 56 6.150 -7.651 3.060 428 2HB CYS 56 2HB CYS 56 7.104 -6.338 3.739 429 HG CYS 56 HG CYS 56 7.793 -7.785 5.741 430 H VAL 57 H VAL 57 4.731 -4.248 2.237 431 HA VAL 57 HA VAL 57 6.126 -2.242 3.873 432 HB VAL 57 HB VAL 57 6.990 -2.772 1.553 433 1HG1 VAL 57 1HG1 VAL 57 4.458 -2.702 0.740 434 2HG1 VAL 57 2HG1 VAL 57 4.883 -1.019 0.423 435 3HG1 VAL 57 3HG1 VAL 57 5.804 -2.320 -0.333 436 1HG2 VAL 57 1HG2 VAL 57 7.070 -0.239 0.949 437 2HG2 VAL 57 2HG2 VAL 57 6.260 -0.033 2.501 438 3HG2 VAL 57 3HG2 VAL 57 7.841 -0.811 2.428 439 H VAL 58 H VAL 58 3.120 -2.999 2.299 440 HA VAL 58 HA VAL 58 2.044 -0.329 2.746 441 HB VAL 58 HB VAL 58 0.621 -2.756 1.650 442 1HG1 VAL 58 1HG1 VAL 58 -0.067 0.132 1.938 443 2HG1 VAL 58 2HG1 VAL 58 -0.713 -0.779 0.571 444 3HG1 VAL 58 3HG1 VAL 58 -1.062 -1.297 2.221 445 1HG2 VAL 58 1HG2 VAL 58 1.195 -0.831 -0.359 446 2HG2 VAL 58 2HG2 VAL 58 2.700 -1.221 0.475 447 3HG2 VAL 58 3HG2 VAL 58 1.737 -2.506 -0.254 448 H ALA 59 H ALA 59 2.415 -3.139 4.501 449 HA ALA 59 HA ALA 59 0.031 -2.591 6.142 450 1HB ALA 59 1HB ALA 59 0.634 -4.942 5.042 451 2HB ALA 59 2HB ALA 59 1.554 -5.099 6.538 452 3HB ALA 59 3HB ALA 59 -0.183 -4.803 6.599 453 H GLU 60 H GLU 60 3.217 -1.896 6.028 454 HA GLU 60 HA GLU 60 3.495 -1.951 8.962 455 1HB GLU 60 1HB GLU 60 5.841 -2.214 8.744 456 2HB GLU 60 2HB GLU 60 5.116 -3.379 7.645 457 1HG GLU 60 1HG GLU 60 5.556 -1.923 5.762 458 2HG GLU 60 2HG GLU 60 6.210 -0.693 6.842 459 H ALA 61 H ALA 61 3.054 0.002 6.297 460 HA ALA 61 HA ALA 61 4.367 2.311 7.557 461 1HB ALA 61 1HB ALA 61 5.139 2.410 5.426 462 2HB ALA 61 2HB ALA 61 3.723 1.598 4.756 463 3HB ALA 61 3HB ALA 61 3.636 3.304 5.196 464 H VAL 62 H VAL 62 1.477 0.845 7.628 465 HA VAL 62 HA VAL 62 -0.027 3.379 7.740 466 HB VAL 62 HB VAL 62 -2.049 1.728 7.603 467 1HG1 VAL 62 1HG1 VAL 62 -1.501 3.431 5.935 468 2HG1 VAL 62 2HG1 VAL 62 -0.341 2.331 5.190 469 3HG1 VAL 62 3HG1 VAL 62 -2.062 1.943 5.173 470 1HG2 VAL 62 1HG2 VAL 62 -1.589 -0.258 6.250 471 2HG2 VAL 62 2HG2 VAL 62 0.137 0.097 6.311 472 3HG2 VAL 62 3HG2 VAL 62 -0.730 -0.318 7.789 473 H VAL 63 H VAL 63 1.087 0.659 9.495 474 HA VAL 63 HA VAL 63 -0.854 0.676 11.581 475 HB VAL 63 HB VAL 63 1.988 -0.325 11.764 476 1HG1 VAL 63 1HG1 VAL 63 1.424 -0.927 13.824 477 2HG1 VAL 63 2HG1 VAL 63 -0.189 -0.249 13.600 478 3HG1 VAL 63 3HG1 VAL 63 0.130 -1.930 13.170 479 1HG2 VAL 63 1HG2 VAL 63 -0.459 -1.821 10.828 480 2HG2 VAL 63 2HG2 VAL 63 0.848 -1.256 9.788 481 3HG2 VAL 63 3HG2 VAL 63 1.165 -2.481 11.016 482 H LYS 64 H LYS 64 1.210 3.027 10.720 483 HA LYS 64 HA LYS 64 1.566 3.948 13.497 484 1HB LYS 64 1HB LYS 64 3.497 5.323 12.466 485 2HB LYS 64 2HB LYS 64 3.757 3.612 12.778 486 1HG LYS 64 1HG LYS 64 2.697 4.096 10.121 487 2HG LYS 64 2HG LYS 64 4.224 4.935 10.407 488 1HD LYS 64 1HD LYS 64 3.749 1.999 10.915 489 2HD LYS 64 2HD LYS 64 4.517 2.659 9.469 490 1HE LYS 64 1HE LYS 64 5.809 3.781 11.731 491 2HE LYS 64 2HE LYS 64 5.686 2.041 11.991 492 1HZ LYS 64 1HZ LYS 64 7.023 1.587 10.226 493 2HZ LYS 64 2HZ LYS 64 7.673 3.086 10.662 494 3HZ LYS 64 3HZ LYS 64 6.588 2.980 9.369 495 H THR 65 H THR 65 -0.011 4.458 10.618 496 HA THR 65 HA THR 65 -0.435 7.307 11.247 497 HB THR 65 HB THR 65 -0.735 6.081 8.504 498 HG1 THR 65 1HG THR 65 1.421 6.026 8.778 499 1HG2 THR 65 1HG2 THR 65 -0.719 8.909 9.547 500 2HG2 THR 65 2HG2 THR 65 -2.022 8.073 8.703 501 3HG2 THR 65 3HG2 THR 65 -0.549 8.508 7.839 502 H LEU 66 H LEU 66 -1.821 4.256 11.083 503 HA LEU 66 HA LEU 66 -4.529 5.354 10.743 504 1HB LEU 66 1HB LEU 66 -3.345 2.643 10.313 505 2HB LEU 66 2HB LEU 66 -5.070 2.808 10.633 506 HG LEU 66 HG LEU 66 -4.486 2.619 8.222 507 1HD1 LEU 66 1HD1 LEU 66 -6.206 4.511 9.506 508 2HD1 LEU 66 2HD1 LEU 66 -6.450 3.620 8.004 509 3HD1 LEU 66 3HD1 LEU 66 -5.622 5.177 7.980 510 1HD2 LEU 66 1HD2 LEU 66 -3.366 5.397 8.524 511 2HD2 LEU 66 2HD2 LEU 66 -3.396 4.391 7.075 512 3HD2 LEU 66 3HD2 LEU 66 -2.364 3.948 8.436 513 H GLN 67 H GLN 67 -2.624 5.175 13.174 514 HA GLN 67 HA GLN 67 -4.636 4.051 15.006 515 1HB GLN 67 1HB GLN 67 -2.441 3.751 16.491 516 2HB GLN 67 2HB GLN 67 -3.006 2.505 15.388 517 1HG GLN 67 1HG GLN 67 -1.260 2.752 13.997 518 2HG GLN 67 2HG GLN 67 -1.193 4.499 14.217 519 1HE2 GLN 67 1HE2 GLN 67 -0.674 1.534 16.100 520 2HE2 GLN 67 2HE2 GLN 67 0.762 2.083 16.888 521 HA PRO 68 HA PRO 68 -3.154 8.509 15.950 522 1HB PRO 68 1HB PRO 68 -5.211 9.902 14.856 523 2HB PRO 68 2HB PRO 68 -3.731 9.518 13.968 524 1HG PRO 68 1HG PRO 68 -6.393 8.150 13.897 525 2HG PRO 68 2HG PRO 68 -5.312 8.565 12.554 526 1HD PRO 68 1HD PRO 68 -5.452 6.068 13.593 527 2HD PRO 68 2HD PRO 68 -3.953 6.739 12.918 528 H VAL 69 H VAL 69 -6.199 6.795 16.044 529 HA VAL 69 HA VAL 69 -6.634 7.679 18.768 530 HB VAL 69 HB VAL 69 -9.082 8.215 18.204 531 1HG1 VAL 69 1HG1 VAL 69 -8.573 10.406 18.394 532 2HG1 VAL 69 2HG1 VAL 69 -6.940 9.785 18.646 533 3HG1 VAL 69 3HG1 VAL 69 -7.428 10.368 17.054 534 1HG2 VAL 69 1HG2 VAL 69 -8.884 7.378 15.851 535 2HG2 VAL 69 2HG2 VAL 69 -9.582 8.991 16.003 536 3HG2 VAL 69 3HG2 VAL 69 -7.904 8.800 15.493 537 H SER 70 H SER 70 -5.952 5.204 18.173 538 HA SER 70 HA SER 70 -7.933 3.397 17.395 539 1HB SER 70 1HB SER 70 -5.582 3.038 19.264 540 2HB SER 70 2HB SER 70 -6.579 1.708 18.675 541 HG SER 70 HG SER 70 -5.016 3.493 17.118 542 H ASP 71 H ASP 71 -7.654 5.255 20.236 543 HA ASP 71 HA ASP 71 -8.873 3.640 22.153 544 1HB ASP 71 1HB ASP 71 -9.608 5.831 23.184 545 2HB ASP 71 2HB ASP 71 -7.883 5.690 22.857 546 H LEU 72 H LEU 72 -10.185 5.108 19.347 547 HA LEU 72 HA LEU 72 -12.930 4.715 20.309 548 1HB LEU 72 1HB LEU 72 -13.659 6.171 18.625 549 2HB LEU 72 2HB LEU 72 -12.198 6.907 19.280 550 HG LEU 72 HG LEU 72 -11.099 5.609 17.231 551 1HD1 LEU 72 1HD1 LEU 72 -12.561 4.752 15.804 552 2HD1 LEU 72 2HD1 LEU 72 -13.186 6.374 15.510 553 3HD1 LEU 72 3HD1 LEU 72 -13.910 5.363 16.760 554 1HD2 LEU 72 1HD2 LEU 72 -11.170 7.680 16.001 555 2HD2 LEU 72 2HD2 LEU 72 -11.010 8.032 17.722 556 3HD2 LEU 72 3HD2 LEU 72 -12.572 8.222 16.923 557 H LEU 73 H LEU 73 -10.666 3.757 17.793 558 HA LEU 73 HA LEU 73 -12.474 2.243 16.239 559 1HB LEU 73 1HB LEU 73 -9.489 2.184 16.556 560 2HB LEU 73 2HB LEU 73 -10.335 1.076 15.478 561 HG LEU 73 HG LEU 73 -11.304 3.248 14.428 562 1HD1 LEU 73 1HD1 LEU 73 -10.623 5.147 15.351 563 2HD1 LEU 73 2HD1 LEU 73 -9.004 4.793 14.749 564 3HD1 LEU 73 3HD1 LEU 73 -9.466 4.301 16.379 565 1HD2 LEU 73 1HD2 LEU 73 -9.982 1.970 13.036 566 2HD2 LEU 73 2HD2 LEU 73 -8.575 2.080 14.093 567 3HD2 LEU 73 3HD2 LEU 73 -9.062 3.472 13.125 568 H THR 74 H THR 74 -10.427 1.440 18.994 569 HA THR 74 HA THR 74 -10.880 -1.361 18.911 570 HB THR 74 HB THR 74 -10.242 0.135 21.440 571 HG1 THR 74 1HG THR 74 -7.999 -0.069 20.682 572 1HG2 THR 74 1HG2 THR 74 -9.573 -2.579 20.318 573 2HG2 THR 74 2HG2 THR 74 -10.478 -2.197 21.783 574 3HG2 THR 74 3HG2 THR 74 -8.742 -1.895 21.715 575 H ASN 75 H ASN 75 -12.816 1.266 19.889 576 HA ASN 75 HA ASN 75 -14.447 -0.324 21.704 577 1HB ASN 75 1HB ASN 75 -14.951 1.655 22.616 578 2HB ASN 75 2HB ASN 75 -13.887 2.428 21.444 579 1HD2 ASN 75 1HD2 ASN 75 -14.753 3.810 20.064 580 2HD2 ASN 75 2HD2 ASN 75 -16.443 3.999 19.754 581 H MET 76 H MET 76 -14.446 0.819 18.426 582 HA MET 76 HA MET 76 -17.249 0.206 18.009 583 1HB MET 76 1HB MET 76 -16.996 1.107 15.853 584 2HB MET 76 2HB MET 76 -15.959 2.098 16.869 585 1HG MET 76 1HG MET 76 -14.004 1.059 16.062 586 2HG MET 76 2HG MET 76 -14.922 -0.241 15.304 587 1HE MET 76 1HE MET 76 -13.557 3.665 14.013 588 2HE MET 76 2HE MET 76 -15.223 4.081 14.413 589 3HE MET 76 3HE MET 76 -14.192 3.312 15.620 590 H GLY 77 H GLY 77 -14.140 -1.288 17.544 591 1HA GLY 77 2HA GLY 77 -14.555 -3.839 17.529 592 2HA GLY 77 1HA GLY 77 -15.381 -3.477 16.020 593 H ILE 78 H ILE 78 -13.324 -1.310 15.518 594 HA ILE 78 HA ILE 78 -11.490 -2.993 14.069 595 HB ILE 78 HB ILE 78 -11.573 0.016 14.322 596 1HG1 ILE 78 1HG1 ILE 78 -12.580 -1.816 12.134 597 2HG1 ILE 78 2HG1 ILE 78 -13.588 -0.935 13.277 598 1HG2 ILE 78 1HG2 ILE 78 -10.031 -1.760 12.436 599 2HG2 ILE 78 2HG2 ILE 78 -10.152 -0.007 12.305 600 3HG2 ILE 78 3HG2 ILE 78 -9.360 -0.733 13.703 601 1HD1 ILE 78 1HD1 ILE 78 -11.836 0.219 11.125 602 2HD1 ILE 78 2HD1 ILE 78 -13.598 0.237 11.208 603 3HD1 ILE 78 3HD1 ILE 78 -12.652 1.179 12.360 604 H ASP 79 H ASP 79 -9.818 -3.895 15.068 605 HA ASP 79 HA ASP 79 -8.405 -2.341 17.134 606 1HB ASP 79 1HB ASP 79 -9.515 -4.657 17.638 607 2HB ASP 79 2HB ASP 79 -8.095 -5.307 16.825 608 H LEU 80 H LEU 80 -6.809 -1.302 16.075 609 HA LEU 80 HA LEU 80 -5.474 -2.036 13.791 610 1HB LEU 80 1HB LEU 80 -5.304 0.030 15.553 611 2HB LEU 80 2HB LEU 80 -3.761 -0.779 15.817 612 HG LEU 80 HG LEU 80 -3.614 1.071 14.197 613 1HD1 LEU 80 1HD1 LEU 80 -2.043 0.002 12.990 614 2HD1 LEU 80 2HD1 LEU 80 -3.145 -1.280 12.488 615 3HD1 LEU 80 3HD1 LEU 80 -2.402 -1.332 14.087 616 1HD2 LEU 80 1HD2 LEU 80 -5.119 1.358 12.593 617 2HD2 LEU 80 2HD2 LEU 80 -6.002 -0.038 13.210 618 3HD2 LEU 80 3HD2 LEU 80 -4.791 -0.249 11.945 619 H ASP 81 H ASP 81 -4.985 -3.180 17.051 620 HA ASP 81 HA ASP 81 -2.456 -4.285 16.898 621 1HB ASP 81 1HB ASP 81 -4.625 -4.410 18.677 622 2HB ASP 81 2HB ASP 81 -4.246 -6.084 18.281 623 H GLU 82 H GLU 82 -5.422 -5.358 15.434 624 HA GLU 82 HA GLU 82 -4.318 -7.946 14.709 625 1HB GLU 82 1HB GLU 82 -6.453 -8.541 14.017 626 2HB GLU 82 2HB GLU 82 -6.785 -7.417 15.328 627 1HG GLU 82 1HG GLU 82 -6.893 -5.637 13.460 628 2HG GLU 82 2HG GLU 82 -7.080 -7.019 12.382 629 H TRP 83 H TRP 83 -4.979 -4.831 13.256 630 HA TRP 83 HA TRP 83 -4.838 -5.416 10.565 631 1HB TRP 83 1HB TRP 83 -4.054 -3.025 12.187 632 2HB TRP 83 2HB TRP 83 -3.662 -3.066 10.470 633 HD1 TRP 83 HD TRP 83 -6.941 -4.498 11.872 634 HE1 TRP 83 1HE TRP 83 -8.899 -3.123 10.924 635 HE3 TRP 83 3HE TRP 83 -4.283 -0.830 9.500 636 HZ2 TRP 83 2HZ TRP 83 -9.268 -0.792 9.374 637 HZ3 TRP 83 3HZ TRP 83 -5.515 0.934 8.307 638 HH2 TRP 83 HH TRP 83 -7.955 0.951 8.246 639 H SER 84 H SER 84 -2.180 -4.910 12.847 640 HA SER 84 HA SER 84 -0.101 -5.079 10.934 641 1HB SER 84 1HB SER 84 -0.306 -4.632 13.718 642 2HB SER 84 2HB SER 84 0.771 -6.014 13.510 643 HG SER 84 HG SER 84 2.238 -4.695 12.813 644 H VAL 85 H VAL 85 -1.680 -7.474 12.996 645 HA VAL 85 HA VAL 85 -0.072 -9.597 11.768 646 HB VAL 85 HB VAL 85 -0.374 -9.439 14.296 647 1HG1 VAL 85 1HG1 VAL 85 -2.971 -9.124 13.811 648 2HG1 VAL 85 2HG1 VAL 85 -2.945 -10.880 13.984 649 3HG1 VAL 85 3HG1 VAL 85 -2.371 -9.854 15.299 650 1HG2 VAL 85 1HG2 VAL 85 0.564 -11.427 13.663 651 2HG2 VAL 85 2HG2 VAL 85 -0.949 -12.014 14.354 652 3HG2 VAL 85 3HG2 VAL 85 -0.782 -11.854 12.606 653 H ALA 86 H ALA 86 -2.106 -8.265 10.240 654 HA ALA 86 HA ALA 86 -4.161 -10.357 10.000 655 1HB ALA 86 1HB ALA 86 -4.826 -8.189 8.339 656 2HB ALA 86 2HB ALA 86 -5.591 -8.667 9.854 657 3HB ALA 86 3HB ALA 86 -4.270 -7.499 9.864 658 H THR 87 H THR 87 -5.009 -10.176 7.498 659 HA THR 87 HA THR 87 -2.626 -10.792 5.877 660 HB THR 87 HB THR 87 -5.367 -11.861 5.264 661 HG1 THR 87 1HG THR 87 -5.075 -12.687 7.272 662 1HG2 THR 87 1HG2 THR 87 -3.481 -11.991 3.605 663 2HG2 THR 87 2HG2 THR 87 -4.177 -13.546 4.060 664 3HG2 THR 87 3HG2 THR 87 -2.637 -13.034 4.749 665 H PHE 88 H PHE 88 -2.254 -8.933 4.781 666 HA PHE 88 HA PHE 88 -4.456 -7.476 3.569 667 1HB PHE 88 1HB PHE 88 -1.552 -6.964 4.013 668 2HB PHE 88 2HB PHE 88 -2.347 -6.116 2.692 669 HD1 PHE 88 1HD PHE 88 -3.735 -7.047 6.005 670 HD2 PHE 88 2HD PHE 88 -2.438 -3.914 3.432 671 HE1 PHE 88 1HE PHE 88 -4.600 -5.385 7.599 672 HE2 PHE 88 2HE PHE 88 -3.300 -2.247 5.023 673 HZ PHE 88 HZ PHE 88 -4.382 -2.981 7.110 674 H TYR 89 H TYR 89 -5.122 -7.750 1.548 675 HA TYR 89 HA TYR 89 -3.405 -9.282 -0.289 676 1HB TYR 89 1HB TYR 89 -6.399 -8.929 -0.480 677 2HB TYR 89 2HB TYR 89 -5.394 -10.053 -1.389 678 HD1 TYR 89 1HD TYR 89 -7.092 -9.418 1.772 679 HD2 TYR 89 2HD TYR 89 -4.479 -12.058 -0.303 680 HE1 TYR 89 1HE TYR 89 -7.481 -11.140 3.484 681 HE2 TYR 89 2HE TYR 89 -4.862 -13.788 1.404 682 HH TYR 89 HH TYR 89 -6.812 -13.132 4.279 683 H LEU 90 H LEU 90 -4.032 -8.790 -2.678 684 HA LEU 90 HA LEU 90 -4.528 -5.938 -3.095 685 1HB LEU 90 1HB LEU 90 -2.143 -7.401 -4.218 686 2HB LEU 90 2HB LEU 90 -2.601 -5.739 -4.584 687 HG LEU 90 HG LEU 90 -2.329 -5.935 -1.773 688 1HD1 LEU 90 1HD1 LEU 90 0.215 -6.485 -1.899 689 2HD1 LEU 90 2HD1 LEU 90 -0.253 -7.421 -3.318 690 3HD1 LEU 90 3HD1 LEU 90 -0.965 -7.787 -1.746 691 1HD2 LEU 90 1HD2 LEU 90 -0.377 -4.397 -2.268 692 2HD2 LEU 90 2HD2 LEU 90 -1.948 -3.896 -2.896 693 3HD2 LEU 90 3HD2 LEU 90 -0.758 -4.623 -3.976 694 H PHE 91 H PHE 91 -4.854 -5.417 -5.417 695 HA PHE 91 HA PHE 91 -5.374 -7.549 -7.257 696 1HB PHE 91 1HB PHE 91 -7.559 -6.452 -5.615 697 2HB PHE 91 2HB PHE 91 -7.888 -6.488 -7.345 698 HD1 PHE 91 1HD PHE 91 -6.953 -8.840 -8.423 699 HD2 PHE 91 2HD PHE 91 -8.397 -8.235 -4.465 700 HE1 PHE 91 1HE PHE 91 -7.515 -11.231 -8.266 701 HE2 PHE 91 2HE PHE 91 -8.961 -10.625 -4.301 702 HZ PHE 91 HZ PHE 91 -8.519 -12.126 -6.203 703 H ASP 92 H ASP 92 -6.307 -6.712 -9.322 704 HA ASP 92 HA ASP 92 -5.621 -3.873 -9.714 705 1HB ASP 92 1HB ASP 92 -5.075 -6.205 -11.561 706 2HB ASP 92 2HB ASP 92 -4.859 -4.515 -12.007 707 H ASP 93 H ASP 93 -6.440 -3.380 -12.184 708 HA ASP 93 HA ASP 93 -9.271 -3.306 -11.946 709 1HB ASP 93 1HB ASP 93 -7.310 -1.969 -13.462 710 2HB ASP 93 2HB ASP 93 -8.383 -2.737 -14.629 711 H ALA 94 H ALA 94 -7.177 -5.683 -13.054 712 HA ALA 94 HA ALA 94 -9.174 -6.844 -14.866 713 1HB ALA 94 1HB ALA 94 -7.457 -8.177 -15.785 714 2HB ALA 94 2HB ALA 94 -6.766 -6.566 -15.590 715 3HB ALA 94 3HB ALA 94 -6.370 -7.841 -14.438 716 H GLY 95 H GLY 95 -8.613 -6.878 -11.693 717 1HA GLY 95 2HA GLY 95 -9.346 -8.288 -10.025 718 2HA GLY 95 1HA GLY 95 -9.995 -9.339 -11.276 719 H GLU 96 H GLU 96 -6.627 -8.362 -11.042 720 HA GLU 96 HA GLU 96 -5.926 -11.064 -10.125 721 1HB GLU 96 1HB GLU 96 -4.155 -11.228 -11.774 722 2HB GLU 96 2HB GLU 96 -5.695 -10.969 -12.582 723 1HG GLU 96 1HG GLU 96 -5.163 -8.635 -12.923 724 2HG GLU 96 2HG GLU 96 -3.655 -8.826 -12.030 725 H GLU 97 H GLU 97 -3.745 -11.231 -9.246 726 HA GLU 97 HA GLU 97 -3.103 -8.908 -7.658 727 1HB GLU 97 1HB GLU 97 -2.645 -11.752 -7.509 728 2HB GLU 97 2HB GLU 97 -1.138 -10.880 -7.260 729 1HG GLU 97 1HG GLU 97 -1.754 -10.152 -5.245 730 2HG GLU 97 2HG GLU 97 -3.387 -9.761 -5.780 731 H ASN 98 H ASN 98 -2.359 -7.438 -9.237 732 HA ASN 98 HA ASN 98 0.362 -8.024 -10.197 733 1HB ASN 98 1HB ASN 98 -1.985 -6.941 -11.686 734 2HB ASN 98 2HB ASN 98 -0.391 -6.306 -12.082 735 1HD2 ASN 98 1HD2 ASN 98 -1.912 -9.449 -11.433 736 2HD2 ASN 98 2HD2 ASN 98 -1.150 -10.277 -12.744 737 H PHE 99 H PHE 99 1.528 -5.933 -10.810 738 HA PHE 99 HA PHE 99 0.871 -3.844 -8.838 739 1HB PHE 99 1HB PHE 99 3.404 -3.414 -8.868 740 2HB PHE 99 2HB PHE 99 2.836 -4.847 -8.018 741 HD1 PHE 99 1HD PHE 99 4.748 -3.581 -10.828 742 HD2 PHE 99 2HD PHE 99 3.158 -7.076 -8.992 743 HE1 PHE 99 1HE PHE 99 6.247 -4.975 -12.193 744 HE2 PHE 99 2HE PHE 99 4.655 -8.476 -10.352 745 HZ PHE 99 HZ PHE 99 6.203 -7.426 -11.955 746 H SER 100 H SER 100 -0.360 -3.326 -11.018 747 HA SER 100 HA SER 100 1.248 -2.039 -13.029 748 1HB SER 100 1HB SER 100 -0.977 -3.204 -13.441 749 2HB SER 100 2HB SER 100 -1.745 -1.804 -12.693 750 HG SER 100 HG SER 100 -0.075 -1.785 -14.989 751 H SER 101 H SER 101 -0.118 0.233 -13.664 752 HA SER 101 HA SER 101 1.058 2.191 -12.129 753 1HB SER 101 1HB SER 101 -0.822 2.094 -14.297 754 2HB SER 101 2HB SER 101 -1.339 3.318 -13.137 755 HG SER 101 HG SER 101 0.812 4.176 -13.269 756 H ARG 102 H ARG 102 -2.225 0.883 -11.843 757 HA ARG 102 HA ARG 102 -2.505 2.315 -9.286 758 1HB ARG 102 1HB ARG 102 -4.250 2.957 -10.788 759 2HB ARG 102 2HB ARG 102 -4.573 1.285 -11.225 760 1HG ARG 102 1HG ARG 102 -5.352 0.861 -8.927 761 2HG ARG 102 2HG ARG 102 -5.096 2.567 -8.553 762 1HD ARG 102 1HD ARG 102 -7.066 1.352 -10.471 763 2HD ARG 102 2HD ARG 102 -7.395 2.338 -9.046 764 HE ARG 102 HE ARG 102 -5.948 3.990 -10.628 765 1HH1 ARG 102 2HH1 ARG 102 -8.802 2.065 -11.145 766 2HH1 ARG 102 1HH1 ARG 102 -9.471 3.139 -12.328 767 1HH2 ARG 102 2HH2 ARG 102 -6.819 5.413 -12.183 768 2HH2 ARG 102 1HH2 ARG 102 -8.342 5.043 -12.918 769 H MET 103 H MET 103 -3.264 1.212 -7.460 770 HA MET 103 HA MET 103 -3.349 -1.719 -7.660 771 1HB MET 103 1HB MET 103 -1.588 -0.025 -5.954 772 2HB MET 103 2HB MET 103 -2.214 -1.516 -5.264 773 1HG MET 103 1HG MET 103 -1.231 -2.796 -7.072 774 2HG MET 103 2HG MET 103 -0.655 -1.312 -7.829 775 1HE MET 103 1HE MET 103 0.238 -4.130 -6.610 776 2HE MET 103 2HE MET 103 1.962 -3.767 -6.543 777 3HE MET 103 3HE MET 103 1.065 -4.066 -5.054 778 H TYR 104 H TYR 104 -4.682 -2.767 -6.175 779 HA TYR 104 HA TYR 104 -6.457 -0.993 -4.628 780 1HB TYR 104 1HB TYR 104 -7.098 -3.481 -6.208 781 2HB TYR 104 2HB TYR 104 -8.192 -2.827 -4.995 782 HD1 TYR 104 1HD TYR 104 -8.183 -3.135 -8.240 783 HD2 TYR 104 2HD TYR 104 -7.925 0.071 -5.455 784 HE1 TYR 104 1HE TYR 104 -9.125 -1.606 -9.922 785 HE2 TYR 104 2HE TYR 104 -8.867 1.608 -7.128 786 HH TYR 104 HH TYR 104 -10.531 1.002 -9.453 787 H CYS 105 H CYS 105 -6.741 -1.436 -2.525 788 HA CYS 105 HA CYS 105 -5.335 -3.765 -1.436 789 1HB CYS 105 1HB CYS 105 -5.893 -1.037 -0.483 790 2HB CYS 105 2HB CYS 105 -6.085 -2.287 0.740 791 HG CYS 105 HG CYS 105 -3.562 -2.901 1.048 792 H SER 106 H SER 106 -6.680 -5.475 -1.438 793 HA SER 106 HA SER 106 -9.434 -5.114 -0.497 794 1HB SER 106 1HB SER 106 -9.625 -7.557 -1.307 795 2HB SER 106 2HB SER 106 -9.449 -6.299 -2.531 796 HG SER 106 HG SER 106 -7.813 -8.380 -1.953 797 H PHE 107 H PHE 107 -9.857 -5.510 1.560 798 HA PHE 107 HA PHE 107 -8.011 -6.683 3.343 799 1HB PHE 107 1HB PHE 107 -9.906 -5.042 3.872 800 2HB PHE 107 2HB PHE 107 -10.971 -6.444 3.862 801 HD1 PHE 107 1HD PHE 107 -8.418 -4.625 5.679 802 HD2 PHE 107 2HD PHE 107 -10.706 -8.211 5.552 803 HE1 PHE 107 1HE PHE 107 -7.833 -5.077 8.026 804 HE2 PHE 107 2HE PHE 107 -10.126 -8.669 7.898 805 HZ PHE 107 HZ PHE 107 -8.688 -7.101 9.139 806 H TYR 108 H TYR 108 -10.250 -8.053 1.185 807 HA TYR 108 HA TYR 108 -10.259 -10.605 2.644 808 1HB TYR 108 1HB TYR 108 -12.143 -11.248 1.266 809 2HB TYR 108 2HB TYR 108 -12.465 -9.672 1.980 810 HD1 TYR 108 1HD TYR 108 -12.183 -11.547 -1.067 811 HD2 TYR 108 2HD TYR 108 -12.130 -7.609 0.543 812 HE1 TYR 108 1HE TYR 108 -12.629 -10.632 -3.306 813 HE2 TYR 108 2HE TYR 108 -12.578 -6.683 -1.691 814 HH TYR 108 HH TYR 108 -12.540 -8.688 -4.552 815 HA PRO 109 HA PRO 109 -7.535 -12.512 -0.220 816 1HB PRO 109 1HB PRO 109 -8.518 -15.042 -0.283 817 2HB PRO 109 2HB PRO 109 -7.644 -14.386 1.106 818 1HG PRO 109 1HG PRO 109 -10.594 -14.671 0.687 819 2HG PRO 109 2HG PRO 109 -9.632 -15.012 2.137 820 1HD PRO 109 1HD PRO 109 -11.069 -12.736 1.844 821 2HD PRO 109 2HD PRO 109 -9.546 -12.792 2.755 822 HA PRO 110 HA PRO 110 -9.171 -12.649 -4.299 823 1HB PRO 110 1HB PRO 110 -7.720 -14.626 -5.464 824 2HB PRO 110 2HB PRO 110 -7.037 -13.049 -5.050 825 1HG PRO 110 1HG PRO 110 -6.859 -15.640 -3.562 826 2HG PRO 110 2HG PRO 110 -5.592 -14.439 -3.872 827 1HD PRO 110 1HD PRO 110 -6.896 -14.602 -1.505 828 2HD PRO 110 2HD PRO 110 -6.301 -13.064 -2.163 829 H ASP 111 H ASP 111 -8.782 -15.909 -2.920 830 HA ASP 111 HA ASP 111 -11.468 -16.628 -3.153 831 1HB ASP 111 1HB ASP 111 -10.037 -16.786 -5.632 832 2HB ASP 111 2HB ASP 111 -10.464 -18.414 -5.110 833 H GLU 112 H GLU 112 -8.117 -17.659 -3.161 834 HA GLU 112 HA GLU 112 -8.347 -20.307 -2.423 835 1HB GLU 112 1HB GLU 112 -6.288 -18.396 -2.544 836 2HB GLU 112 2HB GLU 112 -6.234 -19.052 -0.914 837 1HG GLU 112 1HG GLU 112 -5.289 -20.919 -1.627 838 2HG GLU 112 2HG GLU 112 -6.560 -21.170 -2.822 Start of MODEL 19 1 1H ALA 1 1H ALA 1 12.149 9.843 -5.238 2 HA ALA 1 HA ALA 1 13.142 8.594 -6.862 3 1HB ALA 1 1HB ALA 1 12.517 9.889 -8.620 4 2HB ALA 1 2HB ALA 1 13.265 11.344 -7.960 5 3HB ALA 1 3HB ALA 1 14.263 10.114 -8.737 6 HA PRO 2 HA PRO 2 17.234 9.209 -4.771 7 1HB PRO 2 1HB PRO 2 17.410 6.656 -3.864 8 2HB PRO 2 2HB PRO 2 16.574 7.936 -2.976 9 1HG PRO 2 1HG PRO 2 15.437 5.801 -4.741 10 2HG PRO 2 2HG PRO 2 14.850 6.387 -3.173 11 1HD PRO 2 1HD PRO 2 13.758 7.172 -5.524 12 2HD PRO 2 2HD PRO 2 13.832 8.234 -4.103 13 H ILE 3 H ILE 3 15.990 6.635 -6.842 14 HA ILE 3 HA ILE 3 16.899 5.524 -8.609 15 HB ILE 3 HB ILE 3 19.141 7.540 -8.510 16 1HG1 ILE 3 1HG1 ILE 3 16.522 7.704 -10.017 17 2HG1 ILE 3 2HG1 ILE 3 16.919 8.640 -8.580 18 1HG2 ILE 3 1HG2 ILE 3 18.088 5.716 -10.660 19 2HG2 ILE 3 2HG2 ILE 3 19.194 7.053 -10.974 20 3HG2 ILE 3 3HG2 ILE 3 19.695 5.719 -9.934 21 1HD1 ILE 3 1HD1 ILE 3 18.272 8.794 -11.261 22 2HD1 ILE 3 2HD1 ILE 3 17.216 10.001 -10.528 23 3HD1 ILE 3 3HD1 ILE 3 18.794 9.663 -9.818 24 H LYS 4 H LYS 4 18.507 3.966 -9.124 25 HA LYS 4 HA LYS 4 19.615 2.630 -6.945 26 1HB LYS 4 1HB LYS 4 19.189 1.422 -8.962 27 2HB LYS 4 2HB LYS 4 20.239 2.481 -9.894 28 1HG LYS 4 1HG LYS 4 21.965 1.154 -9.513 29 2HG LYS 4 2HG LYS 4 21.748 1.324 -7.769 30 1HD LYS 4 1HD LYS 4 20.503 -0.604 -7.601 31 2HD LYS 4 2HD LYS 4 19.955 -0.523 -9.277 32 1HE LYS 4 1HE LYS 4 21.475 -2.328 -9.172 33 2HE LYS 4 2HE LYS 4 22.345 -1.004 -9.945 34 1HZ LYS 4 1HZ LYS 4 22.715 -0.860 -7.159 35 2HZ LYS 4 2HZ LYS 4 23.873 -1.103 -8.367 36 3HZ LYS 4 3HZ LYS 4 23.083 -2.429 -7.675 37 H GLY 5 H GLY 5 21.507 2.746 -5.879 38 1HA GLY 5 2HA GLY 5 23.445 3.726 -5.109 39 2HA GLY 5 1HA GLY 5 23.980 3.494 -6.767 40 H VAL 6 H VAL 6 21.414 5.643 -5.636 41 HA VAL 6 HA VAL 6 21.068 7.866 -6.070 42 HB VAL 6 HB VAL 6 23.935 8.197 -5.204 43 1HG1 VAL 6 1HG1 VAL 6 21.674 9.956 -5.612 44 2HG1 VAL 6 2HG1 VAL 6 22.310 10.077 -3.970 45 3HG1 VAL 6 3HG1 VAL 6 23.373 10.347 -5.352 46 1HG2 VAL 6 1HG2 VAL 6 23.156 6.739 -3.567 47 2HG2 VAL 6 2HG2 VAL 6 22.843 8.328 -2.869 48 3HG2 VAL 6 3HG2 VAL 6 21.526 7.413 -3.603 49 H THR 7 H THR 7 21.915 6.403 -8.367 50 HA THR 7 HA THR 7 23.859 8.032 -9.760 51 HB THR 7 HB THR 7 22.110 5.904 -10.988 52 HG1 THR 7 1HG THR 7 24.200 4.654 -10.520 53 1HG2 THR 7 1HG2 THR 7 23.287 7.161 -12.633 54 2HG2 THR 7 2HG2 THR 7 24.158 5.640 -12.438 55 3HG2 THR 7 3HG2 THR 7 24.779 7.114 -11.695 56 H PHE 8 H PHE 8 23.397 9.101 -11.788 57 HA PHE 8 HA PHE 8 20.665 9.681 -12.486 58 1HB PHE 8 1HB PHE 8 20.763 12.078 -12.094 59 2HB PHE 8 2HB PHE 8 21.045 11.221 -10.583 60 HD1 PHE 8 1HD PHE 8 22.389 13.519 -13.013 61 HD2 PHE 8 2HD PHE 8 23.354 11.062 -9.675 62 HE1 PHE 8 1HE PHE 8 24.483 14.772 -12.701 63 HE2 PHE 8 2HE PHE 8 25.449 12.312 -9.356 64 HZ PHE 8 HZ PHE 8 26.016 14.170 -10.869 65 H GLY 9 H GLY 9 20.516 10.082 -14.610 66 1HA GLY 9 2HA GLY 9 21.132 10.898 -16.707 67 2HA GLY 9 1HA GLY 9 22.692 11.359 -16.043 68 H GLU 10 H GLU 10 20.864 8.334 -16.544 69 HA GLU 10 HA GLU 10 23.354 7.123 -17.541 70 1HB GLU 10 1HB GLU 10 21.087 6.082 -15.932 71 2HB GLU 10 2HB GLU 10 21.802 4.979 -17.099 72 1HG GLU 10 1HG GLU 10 23.443 6.472 -15.079 73 2HG GLU 10 2HG GLU 10 22.715 4.901 -14.744 74 H ASP 11 H ASP 11 19.825 6.973 -18.022 75 HA ASP 11 HA ASP 11 20.087 7.185 -20.859 76 1HB ASP 11 1HB ASP 11 20.567 4.676 -20.075 77 2HB ASP 11 2HB ASP 11 18.807 4.607 -20.103 78 H THR 12 H THR 12 17.813 5.610 -18.605 79 HA THR 12 HA THR 12 15.916 7.741 -18.792 80 HB THR 12 HB THR 12 15.538 6.659 -20.985 81 HG1 THR 12 1HG THR 12 13.202 6.155 -20.464 82 1HG2 THR 12 1HG2 THR 12 16.147 4.337 -20.013 83 2HG2 THR 12 2HG2 THR 12 14.880 4.438 -21.236 84 3HG2 THR 12 3HG2 THR 12 14.452 4.271 -19.534 85 H VAL 13 H VAL 13 13.780 7.062 -17.741 86 HA VAL 13 HA VAL 13 14.435 5.632 -15.305 87 HB VAL 13 HB VAL 13 11.703 6.712 -15.853 88 1HG1 VAL 13 1HG1 VAL 13 13.484 6.455 -13.442 89 2HG1 VAL 13 2HG1 VAL 13 11.976 7.371 -13.429 90 3HG1 VAL 13 3HG1 VAL 13 11.954 5.639 -13.759 91 1HG2 VAL 13 1HG2 VAL 13 12.771 8.609 -16.574 92 2HG2 VAL 13 2HG2 VAL 13 12.743 8.904 -14.835 93 3HG2 VAL 13 3HG2 VAL 13 14.211 8.300 -15.604 94 H TRP 14 H TRP 14 12.875 4.063 -14.390 95 HA TRP 14 HA TRP 14 11.772 2.076 -14.471 96 1HB TRP 14 1HB TRP 14 10.652 3.376 -16.953 97 2HB TRP 14 2HB TRP 14 10.123 1.792 -16.394 98 HD1 TRP 14 HD TRP 14 10.385 5.384 -14.928 99 HE1 TRP 14 1HE TRP 14 8.351 5.758 -13.397 100 HE3 TRP 14 3HE TRP 14 8.227 0.765 -15.306 101 HZ2 TRP 14 2HZ TRP 14 6.126 4.289 -12.470 102 HZ3 TRP 14 3HZ TRP 14 6.147 0.331 -14.064 103 HH2 TRP 14 HH TRP 14 5.120 2.057 -12.676 104 H GLU 15 H GLU 15 14.380 2.609 -16.004 105 HA GLU 15 HA GLU 15 14.411 0.008 -17.357 106 1HB GLU 15 1HB GLU 15 15.088 2.659 -18.529 107 2HB GLU 15 2HB GLU 15 16.107 1.294 -18.966 108 1HG GLU 15 1HG GLU 15 13.465 0.398 -19.223 109 2HG GLU 15 2HG GLU 15 13.511 2.010 -19.935 110 H VAL 16 H VAL 16 16.232 2.662 -15.914 111 HA VAL 16 HA VAL 16 18.336 0.727 -15.194 112 HB VAL 16 HB VAL 16 19.119 2.352 -16.905 113 1HG1 VAL 16 1HG1 VAL 16 17.638 4.189 -15.585 114 2HG1 VAL 16 2HG1 VAL 16 19.249 4.559 -14.965 115 3HG1 VAL 16 3HG1 VAL 16 18.943 4.587 -16.702 116 1HG2 VAL 16 1HG2 VAL 16 20.356 2.436 -14.163 117 2HG2 VAL 16 2HG2 VAL 16 20.780 1.386 -15.515 118 3HG2 VAL 16 3HG2 VAL 16 21.136 3.111 -15.593 119 H GLN 17 H GLN 17 16.391 3.482 -14.262 120 HA GLN 17 HA GLN 17 17.525 4.217 -11.864 121 1HB GLN 17 1HB GLN 17 15.753 5.565 -12.452 122 2HB GLN 17 2HB GLN 17 14.734 4.208 -12.911 123 1HG GLN 17 1HG GLN 17 14.210 3.716 -10.661 124 2HG GLN 17 2HG GLN 17 15.464 4.800 -10.060 125 1HE2 GLN 17 1HE2 GLN 17 12.253 4.533 -11.273 126 2HE2 GLN 17 2HE2 GLN 17 11.787 6.176 -11.017 127 H GLY 18 H GLY 18 15.227 1.576 -12.464 128 1HA GLY 18 2HA GLY 18 15.105 -0.455 -11.323 129 2HA GLY 18 1HA GLY 18 16.261 0.162 -10.151 130 H TYR 19 H TYR 19 13.272 1.759 -11.108 131 HA TYR 19 HA TYR 19 11.968 0.961 -8.629 132 1HB TYR 19 1HB TYR 19 12.760 3.791 -9.287 133 2HB TYR 19 2HB TYR 19 11.421 3.434 -8.201 134 HD1 TYR 19 1HD TYR 19 12.116 1.534 -6.371 135 HD2 TYR 19 2HD TYR 19 14.759 4.279 -8.263 136 HE1 TYR 19 1HE TYR 19 13.692 1.298 -4.497 137 HE2 TYR 19 2HE TYR 19 16.343 4.050 -6.396 138 HH TYR 19 HH TYR 19 16.390 1.656 -4.307 139 H LYS 20 H LYS 20 9.742 2.197 -8.532 140 HA LYS 20 HA LYS 20 8.599 2.699 -11.150 141 1HB LYS 20 1HB LYS 20 7.933 0.288 -9.493 142 2HB LYS 20 2HB LYS 20 6.709 1.014 -10.526 143 1HG LYS 20 1HG LYS 20 7.516 -0.431 -12.041 144 2HG LYS 20 2HG LYS 20 8.743 0.817 -12.277 145 1HD LYS 20 1HD LYS 20 10.365 -0.478 -11.438 146 2HD LYS 20 2HD LYS 20 9.364 -0.994 -10.078 147 1HE LYS 20 1HE LYS 20 9.452 -2.998 -11.099 148 2HE LYS 20 2HE LYS 20 8.172 -2.324 -12.106 149 1HZ LYS 20 1HZ LYS 20 10.357 -3.379 -13.119 150 2HZ LYS 20 2HZ LYS 20 10.921 -1.797 -12.925 151 3HZ LYS 20 3HZ LYS 20 9.550 -2.095 -13.869 152 H ASN 21 H ASN 21 6.011 2.844 -10.708 153 HA ASN 21 HA ASN 21 5.561 4.256 -8.183 154 1HB ASN 21 1HB ASN 21 4.985 5.419 -10.917 155 2HB ASN 21 2HB ASN 21 4.447 6.119 -9.393 156 1HD2 ASN 21 1HD2 ASN 21 7.334 5.137 -11.169 157 2HD2 ASN 21 2HD2 ASN 21 8.375 6.338 -10.493 158 H VAL 22 H VAL 22 3.884 3.276 -7.279 159 HA VAL 22 HA VAL 22 1.580 2.580 -8.975 160 HB VAL 22 HB VAL 22 2.878 0.547 -8.329 161 1HG1 VAL 22 1HG1 VAL 22 3.574 1.443 -6.098 162 2HG1 VAL 22 2HG1 VAL 22 1.931 1.137 -5.530 163 3HG1 VAL 22 3HG1 VAL 22 2.945 -0.204 -6.065 164 1HG2 VAL 22 1HG2 VAL 22 0.384 0.614 -8.759 165 2HG2 VAL 22 2HG2 VAL 22 0.973 -0.760 -7.823 166 3HG2 VAL 22 3HG2 VAL 22 0.175 0.585 -7.008 167 H ARG 23 H ARG 23 -0.471 2.653 -7.950 168 HA ARG 23 HA ARG 23 -0.514 4.100 -5.386 169 1HB ARG 23 1HB ARG 23 -1.563 4.910 -7.974 170 2HB ARG 23 2HB ARG 23 -2.817 4.879 -6.742 171 1HG ARG 23 1HG ARG 23 -0.404 6.138 -5.768 172 2HG ARG 23 2HG ARG 23 -1.012 6.921 -7.228 173 1HD ARG 23 1HD ARG 23 -3.150 6.287 -5.384 174 2HD ARG 23 2HD ARG 23 -1.918 7.295 -4.625 175 HE ARG 23 HE ARG 23 -3.739 8.058 -6.721 176 1HH1 ARG 23 2HH1 ARG 23 -0.712 8.745 -5.145 177 2HH1 ARG 23 1HH1 ARG 23 -0.681 10.405 -5.641 178 1HH2 ARG 23 2HH2 ARG 23 -3.710 10.241 -7.380 179 2HH2 ARG 23 1HH2 ARG 23 -2.388 11.255 -6.911 180 H ILE 24 H ILE 24 -2.434 3.805 -4.111 181 HA ILE 24 HA ILE 24 -4.051 1.462 -4.839 182 HB ILE 24 HB ILE 24 -2.993 1.906 -2.051 183 1HG1 ILE 24 1HG1 ILE 24 -1.812 -0.401 -3.024 184 2HG1 ILE 24 2HG1 ILE 24 -1.713 0.707 -4.389 185 1HG2 ILE 24 1HG2 ILE 24 -3.761 -0.782 -2.780 186 2HG2 ILE 24 2HG2 ILE 24 -4.314 0.224 -1.442 187 3HG2 ILE 24 3HG2 ILE 24 -5.086 0.356 -3.022 188 1HD1 ILE 24 1HD1 ILE 24 0.160 1.424 -3.426 189 2HD1 ILE 24 2HD1 ILE 24 -0.902 2.274 -2.303 190 3HD1 ILE 24 3HD1 ILE 24 -0.249 0.693 -1.874 191 H THR 25 H THR 25 -6.173 1.706 -4.501 192 HA THR 25 HA THR 25 -7.228 3.417 -2.451 193 HB THR 25 HB THR 25 -7.612 4.224 -5.341 194 HG1 THR 25 1HG THR 25 -6.631 6.184 -4.553 195 1HG2 THR 25 1HG2 THR 25 -8.959 5.104 -2.801 196 2HG2 THR 25 2HG2 THR 25 -9.695 4.595 -4.321 197 3HG2 THR 25 3HG2 THR 25 -8.874 6.152 -4.216 198 H PHE 26 H PHE 26 -8.152 1.351 -1.930 199 HA PHE 26 HA PHE 26 -10.451 0.658 -3.640 200 1HB PHE 26 1HB PHE 26 -8.795 -1.134 -3.667 201 2HB PHE 26 2HB PHE 26 -8.783 -1.177 -1.907 202 HD1 PHE 26 1HD PHE 26 -10.706 -1.985 -4.922 203 HD2 PHE 26 2HD PHE 26 -10.533 -2.253 -0.678 204 HE1 PHE 26 1HE PHE 26 -12.518 -3.649 -4.957 205 HE2 PHE 26 2HE PHE 26 -12.345 -3.918 -0.706 206 HZ PHE 26 HZ PHE 26 -13.339 -4.618 -2.847 207 H GLU 27 H GLU 27 -9.499 -0.283 -0.348 208 HA GLU 27 HA GLU 27 -11.265 1.347 1.060 209 1HB GLU 27 1HB GLU 27 -12.582 -0.781 -0.317 210 2HB GLU 27 2HB GLU 27 -12.667 -1.100 1.409 211 1HG GLU 27 1HG GLU 27 -13.733 0.991 1.819 212 2HG GLU 27 2HG GLU 27 -13.466 1.513 0.157 213 H LEU 28 H LEU 28 -10.716 1.257 3.150 214 HA LEU 28 HA LEU 28 -9.624 -1.236 4.238 215 1HB LEU 28 1HB LEU 28 -8.063 0.989 3.538 216 2HB LEU 28 2HB LEU 28 -8.195 1.022 5.295 217 HG LEU 28 HG LEU 28 -6.191 -0.140 4.705 218 1HD1 LEU 28 1HD1 LEU 28 -7.881 -1.063 6.478 219 2HD1 LEU 28 2HD1 LEU 28 -6.445 -1.988 6.039 220 3HD1 LEU 28 3HD1 LEU 28 -8.011 -2.410 5.347 221 1HD2 LEU 28 1HD2 LEU 28 -6.012 -1.265 2.803 222 2HD2 LEU 28 2HD2 LEU 28 -7.741 -1.068 2.513 223 3HD2 LEU 28 3HD2 LEU 28 -7.150 -2.472 3.404 224 H ASP 29 H ASP 29 -10.389 2.140 5.099 225 HA ASP 29 HA ASP 29 -11.827 1.107 7.453 226 1HB ASP 29 1HB ASP 29 -9.503 2.526 7.620 227 2HB ASP 29 2HB ASP 29 -10.698 3.818 7.698 228 H GLU 30 H GLU 30 -13.196 3.063 8.399 229 HA GLU 30 HA GLU 30 -14.579 4.344 6.135 230 1HB GLU 30 1HB GLU 30 -16.697 4.048 7.388 231 2HB GLU 30 2HB GLU 30 -15.955 2.524 6.925 232 1HG GLU 30 1HG GLU 30 -15.730 1.863 9.037 233 2HG GLU 30 2HG GLU 30 -15.122 3.434 9.558 234 H ARG 31 H ARG 31 -13.095 4.684 9.176 235 HA ARG 31 HA ARG 31 -14.099 7.448 9.387 236 1HB ARG 31 1HB ARG 31 -13.706 7.294 11.819 237 2HB ARG 31 2HB ARG 31 -14.900 6.129 11.262 238 1HG ARG 31 1HG ARG 31 -13.680 4.394 11.942 239 2HG ARG 31 2HG ARG 31 -12.192 5.064 11.270 240 1HD ARG 31 1HD ARG 31 -13.433 6.072 13.818 241 2HD ARG 31 2HD ARG 31 -12.258 4.758 13.784 242 HE ARG 31 HE ARG 31 -10.973 6.685 12.438 243 1HH1 ARG 31 2HH1 ARG 31 -12.682 6.717 15.471 244 2HH1 ARG 31 1HH1 ARG 31 -11.701 7.967 16.160 245 1HH2 ARG 31 2HH2 ARG 31 -9.675 8.333 13.334 246 2HH2 ARG 31 1HH2 ARG 31 -9.991 8.887 14.943 247 H VAL 32 H VAL 32 -11.539 5.732 8.425 248 HA VAL 32 HA VAL 32 -9.729 7.938 8.715 249 HB VAL 32 HB VAL 32 -9.564 6.567 10.899 250 1HG1 VAL 32 1HG1 VAL 32 -7.605 4.831 9.557 251 2HG1 VAL 32 2HG1 VAL 32 -8.706 4.485 10.893 252 3HG1 VAL 32 3HG1 VAL 32 -9.297 4.456 9.231 253 1HG2 VAL 32 1HG2 VAL 32 -7.177 7.267 9.200 254 2HG2 VAL 32 2HG2 VAL 32 -7.974 8.274 10.409 255 3HG2 VAL 32 3HG2 VAL 32 -7.069 6.845 10.910 256 H ASP 33 H ASP 33 -10.878 6.566 6.525 257 HA ASP 33 HA ASP 33 -8.825 4.840 5.422 258 1HB ASP 33 1HB ASP 33 -10.380 4.188 3.890 259 2HB ASP 33 2HB ASP 33 -11.492 4.841 5.090 260 H LYS 34 H LYS 34 -10.101 8.091 4.919 261 HA LYS 34 HA LYS 34 -8.580 8.695 2.613 262 1HB LYS 34 1HB LYS 34 -9.365 10.880 2.835 263 2HB LYS 34 2HB LYS 34 -10.627 9.926 3.601 264 1HG LYS 34 1HG LYS 34 -8.418 11.366 5.055 265 2HG LYS 34 2HG LYS 34 -10.073 11.951 4.868 266 1HD LYS 34 1HD LYS 34 -10.705 9.648 5.921 267 2HD LYS 34 2HD LYS 34 -9.036 9.667 6.497 268 1HE LYS 34 1HE LYS 34 -9.861 10.812 8.237 269 2HE LYS 34 2HE LYS 34 -9.875 12.184 7.129 270 1HZ LYS 34 1HZ LYS 34 -12.084 12.222 7.125 271 2HZ LYS 34 2HZ LYS 34 -12.030 11.171 8.448 272 3HZ LYS 34 3HZ LYS 34 -12.213 10.553 6.884 273 H VAL 35 H VAL 35 -7.711 8.360 5.880 274 HA VAL 35 HA VAL 35 -5.499 10.190 5.878 275 HB VAL 35 HB VAL 35 -5.939 7.872 7.758 276 1HG1 VAL 35 1HG1 VAL 35 -4.689 9.356 9.329 277 2HG1 VAL 35 2HG1 VAL 35 -3.738 8.793 7.953 278 3HG1 VAL 35 3HG1 VAL 35 -4.374 10.438 7.973 279 1HG2 VAL 35 1HG2 VAL 35 -7.313 10.482 7.535 280 2HG2 VAL 35 2HG2 VAL 35 -7.894 8.945 8.175 281 3HG2 VAL 35 3HG2 VAL 35 -6.844 9.968 9.156 282 H LEU 36 H LEU 36 -6.023 7.132 4.557 283 HA LEU 36 HA LEU 36 -3.121 6.657 4.370 284 1HB LEU 36 1HB LEU 36 -3.417 4.372 4.520 285 2HB LEU 36 2HB LEU 36 -4.587 4.993 5.682 286 HG LEU 36 HG LEU 36 -6.124 4.793 3.452 287 1HD1 LEU 36 1HD1 LEU 36 -5.364 3.342 1.955 288 2HD1 LEU 36 2HD1 LEU 36 -4.987 2.160 3.208 289 3HD1 LEU 36 3HD1 LEU 36 -3.805 3.396 2.779 290 1HD2 LEU 36 1HD2 LEU 36 -7.050 3.930 5.352 291 2HD2 LEU 36 2HD2 LEU 36 -5.594 3.036 5.792 292 3HD2 LEU 36 3HD2 LEU 36 -6.647 2.433 4.510 293 H ASN 37 H ASN 37 -5.616 7.801 2.682 294 HA ASN 37 HA ASN 37 -4.667 6.636 0.147 295 1HB ASN 37 1HB ASN 37 -6.881 5.906 0.269 296 2HB ASN 37 2HB ASN 37 -7.431 7.389 1.043 297 1HD2 ASN 37 1HD2 ASN 37 -8.621 8.618 -0.203 298 2HD2 ASN 37 2HD2 ASN 37 -8.499 8.757 -1.921 299 H GLU 38 H GLU 38 -5.135 9.453 2.015 300 HA GLU 38 HA GLU 38 -4.622 11.157 -0.333 301 1HB GLU 38 1HB GLU 38 -5.655 12.107 2.335 302 2HB GLU 38 2HB GLU 38 -5.656 12.972 0.805 303 1HG GLU 38 1HG GLU 38 -7.104 10.630 0.338 304 2HG GLU 38 2HG GLU 38 -7.636 11.215 1.914 305 H LYS 39 H LYS 39 -3.520 10.199 2.823 306 HA LYS 39 HA LYS 39 -1.377 12.188 2.788 307 1HB LYS 39 1HB LYS 39 -2.469 10.322 4.867 308 2HB LYS 39 2HB LYS 39 -0.862 11.010 5.058 309 1HG LYS 39 1HG LYS 39 -1.680 12.966 5.719 310 2HG LYS 39 2HG LYS 39 -2.821 13.029 4.374 311 1HD LYS 39 1HD LYS 39 -3.702 11.034 6.202 312 2HD LYS 39 2HD LYS 39 -3.344 12.503 7.114 313 1HE LYS 39 1HE LYS 39 -5.156 12.277 4.713 314 2HE LYS 39 2HE LYS 39 -5.661 12.496 6.388 315 1HZ LYS 39 1HZ LYS 39 -4.864 14.448 4.494 316 2HZ LYS 39 2HZ LYS 39 -3.874 14.529 5.863 317 3HZ LYS 39 3HZ LYS 39 -5.553 14.665 6.025 318 H CYS 40 H CYS 40 -1.927 9.095 1.687 319 HA CYS 40 HA CYS 40 0.686 8.667 0.813 320 1HB CYS 40 1HB CYS 40 1.197 6.638 2.283 321 2HB CYS 40 2HB CYS 40 1.421 8.225 3.011 322 HG CYS 40 HG CYS 40 0.365 6.612 4.981 323 H SER 41 H SER 41 -0.600 8.219 -1.025 324 HA SER 41 HA SER 41 -1.933 5.591 -0.960 325 1HB SER 41 1HB SER 41 -3.067 6.580 -3.114 326 2HB SER 41 2HB SER 41 -3.662 7.036 -1.517 327 HG SER 41 HG SER 41 -3.267 8.800 -3.053 328 H VAL 42 H VAL 42 0.588 7.459 -2.294 329 HA VAL 42 HA VAL 42 0.989 5.541 -4.486 330 HB VAL 42 HB VAL 42 1.000 7.767 -5.321 331 1HG1 VAL 42 1HG1 VAL 42 2.736 9.412 -4.395 332 2HG1 VAL 42 2HG1 VAL 42 1.277 9.132 -3.443 333 3HG1 VAL 42 3HG1 VAL 42 2.792 8.353 -2.987 334 1HG2 VAL 42 1HG2 VAL 42 2.752 6.265 -6.192 335 2HG2 VAL 42 2HG2 VAL 42 3.222 7.963 -6.264 336 3HG2 VAL 42 3HG2 VAL 42 3.878 6.919 -5.003 337 H TYR 43 H TYR 43 2.815 4.317 -4.631 338 HA TYR 43 HA TYR 43 4.914 4.685 -2.621 339 1HB TYR 43 1HB TYR 43 3.572 2.031 -3.175 340 2HB TYR 43 2HB TYR 43 4.925 2.299 -2.082 341 HD1 TYR 43 1HD TYR 43 1.359 3.184 -2.643 342 HD2 TYR 43 2HD TYR 43 4.549 2.886 0.157 343 HE1 TYR 43 1HE TYR 43 -0.220 3.615 -0.808 344 HE2 TYR 43 2HE TYR 43 2.978 3.315 2.000 345 HH TYR 43 HH TYR 43 0.697 3.268 2.524 346 H THR 44 H THR 44 6.929 3.707 -3.165 347 HA THR 44 HA THR 44 7.267 3.389 -6.060 348 HB THR 44 HB THR 44 9.543 3.637 -4.115 349 HG1 THR 44 1HG THR 44 8.168 5.397 -3.676 350 1HG2 THR 44 1HG2 THR 44 9.595 3.167 -6.735 351 2HG2 THR 44 2HG2 THR 44 10.809 4.169 -5.940 352 3HG2 THR 44 3HG2 THR 44 9.463 4.924 -6.791 353 H VAL 45 H VAL 45 8.026 1.554 -6.974 354 HA VAL 45 HA VAL 45 8.638 -0.692 -5.164 355 HB VAL 45 HB VAL 45 7.425 -0.845 -7.927 356 1HG1 VAL 45 1HG1 VAL 45 8.773 -2.787 -7.442 357 2HG1 VAL 45 2HG1 VAL 45 7.994 -2.976 -5.870 358 3HG1 VAL 45 3HG1 VAL 45 7.067 -3.222 -7.351 359 1HG2 VAL 45 1HG2 VAL 45 6.198 -0.197 -5.493 360 2HG2 VAL 45 2HG2 VAL 45 5.410 -0.639 -7.008 361 3HG2 VAL 45 3HG2 VAL 45 5.779 -1.881 -5.811 362 H GLU 46 H GLU 46 10.660 -1.391 -5.250 363 HA GLU 46 HA GLU 46 12.631 -0.407 -6.932 364 1HB GLU 46 1HB GLU 46 12.453 -2.925 -5.295 365 2HB GLU 46 2HB GLU 46 13.882 -2.556 -6.250 366 1HG GLU 46 1HG GLU 46 14.487 -0.789 -4.923 367 2HG GLU 46 2HG GLU 46 12.839 -0.501 -4.369 368 H SER 47 H SER 47 14.056 -2.015 -8.294 369 HA SER 47 HA SER 47 12.519 -2.671 -10.593 370 1HB SER 47 1HB SER 47 15.198 -2.169 -10.079 371 2HB SER 47 2HB SER 47 15.177 -3.877 -10.519 372 HG SER 47 HG SER 47 14.485 -3.383 -12.492 373 H GLY 48 H GLY 48 13.617 -4.463 -7.833 374 1HA GLY 48 2HA GLY 48 12.488 -6.913 -9.041 375 2HA GLY 48 1HA GLY 48 13.919 -6.946 -8.022 376 H THR 49 H THR 49 10.451 -6.366 -8.071 377 HA THR 49 HA THR 49 10.378 -7.053 -5.212 378 HB THR 49 HB THR 49 8.300 -5.180 -6.208 379 HG1 THR 49 1HG THR 49 10.244 -4.242 -6.995 380 1HG2 THR 49 1HG2 THR 49 8.103 -5.872 -3.951 381 2HG2 THR 49 2HG2 THR 49 8.737 -4.226 -3.897 382 3HG2 THR 49 3HG2 THR 49 9.817 -5.597 -3.640 383 H GLU 50 H GLU 50 8.381 -8.006 -4.491 384 HA GLU 50 HA GLU 50 6.899 -9.309 -6.680 385 1HB GLU 50 1HB GLU 50 8.032 -10.330 -4.153 386 2HB GLU 50 2HB GLU 50 6.414 -10.903 -4.535 387 1HG GLU 50 1HG GLU 50 8.066 -11.058 -6.866 388 2HG GLU 50 2HG GLU 50 8.860 -11.859 -5.511 389 H VAL 51 H VAL 51 4.651 -9.670 -6.397 390 HA VAL 51 HA VAL 51 3.242 -7.503 -5.297 391 HB VAL 51 HB VAL 51 2.053 -10.204 -5.918 392 1HG1 VAL 51 1HG1 VAL 51 0.536 -8.687 -4.809 393 2HG1 VAL 51 2HG1 VAL 51 0.924 -7.407 -5.960 394 3HG1 VAL 51 3HG1 VAL 51 0.070 -8.853 -6.501 395 1HG2 VAL 51 1HG2 VAL 51 3.164 -8.125 -7.710 396 2HG2 VAL 51 2HG2 VAL 51 3.048 -9.870 -7.934 397 3HG2 VAL 51 3HG2 VAL 51 1.628 -8.853 -8.180 398 H THR 52 H THR 52 4.469 -10.329 -3.846 399 HA THR 52 HA THR 52 2.584 -10.253 -1.620 400 HB THR 52 HB THR 52 3.146 -12.466 -2.356 401 HG1 THR 52 1HG THR 52 3.724 -13.285 -0.391 402 1HG2 THR 52 1HG2 THR 52 5.131 -12.639 -3.411 403 2HG2 THR 52 2HG2 THR 52 5.757 -12.997 -1.802 404 3HG2 THR 52 3HG2 THR 52 5.867 -11.360 -2.447 405 H GLU 53 H GLU 53 5.652 -9.031 -2.483 406 HA GLU 53 HA GLU 53 6.839 -8.889 0.088 407 1HB GLU 53 1HB GLU 53 7.657 -8.347 -2.490 408 2HB GLU 53 2HB GLU 53 7.590 -6.749 -1.760 409 1HG GLU 53 1HG GLU 53 9.525 -7.105 -0.761 410 2HG GLU 53 2HG GLU 53 8.858 -8.507 0.073 411 H PHE 54 H PHE 54 4.675 -6.788 -1.707 412 HA PHE 54 HA PHE 54 4.894 -4.568 0.074 413 1HB PHE 54 1HB PHE 54 2.516 -5.074 -1.692 414 2HB PHE 54 2HB PHE 54 3.240 -3.537 -1.231 415 HD1 PHE 54 1HD PHE 54 5.712 -3.192 -2.051 416 HD2 PHE 54 2HD PHE 54 2.936 -5.910 -3.790 417 HE1 PHE 54 1HE PHE 54 7.008 -3.173 -4.143 418 HE2 PHE 54 2HE PHE 54 4.228 -5.896 -5.883 419 HZ PHE 54 HZ PHE 54 6.268 -4.528 -6.061 420 H ALA 55 H ALA 55 3.133 -7.518 0.099 421 HA ALA 55 HA ALA 55 0.889 -6.853 1.610 422 1HB ALA 55 1HB ALA 55 0.488 -9.034 1.463 423 2HB ALA 55 2HB ALA 55 2.035 -9.193 0.630 424 3HB ALA 55 3HB ALA 55 1.945 -9.427 2.376 425 H CYS 56 H CYS 56 4.210 -7.054 2.521 426 HA CYS 56 HA CYS 56 3.463 -6.824 5.361 427 1HB CYS 56 1HB CYS 56 5.339 -8.511 4.094 428 2HB CYS 56 2HB CYS 56 6.272 -7.313 4.983 429 HG CYS 56 HG CYS 56 3.838 -9.278 6.372 430 H VAL 57 H VAL 57 3.916 -4.835 2.990 431 HA VAL 57 HA VAL 57 5.666 -3.005 4.503 432 HB VAL 57 HB VAL 57 5.266 -3.121 1.510 433 1HG1 VAL 57 1HG1 VAL 57 6.915 -1.256 3.211 434 2HG1 VAL 57 2HG1 VAL 57 7.019 -1.370 1.453 435 3HG1 VAL 57 3HG1 VAL 57 5.522 -0.832 2.216 436 1HG2 VAL 57 1HG2 VAL 57 7.524 -3.868 1.367 437 2HG2 VAL 57 2HG2 VAL 57 7.780 -3.622 3.094 438 3HG2 VAL 57 3HG2 VAL 57 6.705 -4.903 2.536 439 H VAL 58 H VAL 58 2.700 -3.411 2.694 440 HA VAL 58 HA VAL 58 1.951 -0.620 3.095 441 HB VAL 58 HB VAL 58 0.266 -2.762 1.808 442 1HG1 VAL 58 1HG1 VAL 58 0.181 0.206 2.004 443 2HG1 VAL 58 2HG1 VAL 58 -0.420 -0.560 0.532 444 3HG1 VAL 58 3HG1 VAL 58 -1.129 -0.971 2.094 445 1HG2 VAL 58 1HG2 VAL 58 2.676 -1.408 0.809 446 2HG2 VAL 58 2HG2 VAL 58 1.924 -2.918 0.293 447 3HG2 VAL 58 3HG2 VAL 58 1.291 -1.376 -0.284 448 H ALA 59 H ALA 59 1.823 -3.416 4.846 449 HA ALA 59 HA ALA 59 -0.785 -2.878 6.054 450 1HB ALA 59 1HB ALA 59 0.264 -5.225 5.424 451 2HB ALA 59 2HB ALA 59 0.958 -5.071 7.038 452 3HB ALA 59 3HB ALA 59 -0.792 -5.024 6.822 453 H GLU 60 H GLU 60 2.378 -1.934 6.459 454 HA GLU 60 HA GLU 60 2.018 -1.514 9.352 455 1HB GLU 60 1HB GLU 60 4.533 -1.170 9.345 456 2HB GLU 60 2HB GLU 60 3.973 -2.809 9.047 457 1HG GLU 60 1HG GLU 60 4.248 -2.385 6.608 458 2HG GLU 60 2HG GLU 60 4.983 -0.836 7.016 459 H ALA 61 H ALA 61 3.339 0.000 6.417 460 HA ALA 61 HA ALA 61 3.844 2.531 7.429 461 1HB ALA 61 1HB ALA 61 4.676 2.242 5.310 462 2HB ALA 61 2HB ALA 61 3.197 1.487 4.714 463 3HB ALA 61 3HB ALA 61 3.254 3.231 4.974 464 H VAL 62 H VAL 62 0.827 1.185 6.162 465 HA VAL 62 HA VAL 62 -0.692 3.541 6.178 466 HB VAL 62 HB VAL 62 -1.599 0.688 6.584 467 1HG1 VAL 62 1HG1 VAL 62 -3.110 3.246 6.241 468 2HG1 VAL 62 2HG1 VAL 62 -3.782 1.728 5.643 469 3HG1 VAL 62 3HG1 VAL 62 -3.406 1.913 7.356 470 1HG2 VAL 62 1HG2 VAL 62 -1.859 0.521 4.293 471 2HG2 VAL 62 2HG2 VAL 62 -1.914 2.269 4.065 472 3HG2 VAL 62 3HG2 VAL 62 -0.380 1.474 4.422 473 H VAL 63 H VAL 63 -0.233 1.067 8.681 474 HA VAL 63 HA VAL 63 -2.009 2.029 10.586 475 HB VAL 63 HB VAL 63 0.663 0.698 11.054 476 1HG1 VAL 63 1HG1 VAL 63 0.256 1.313 13.181 477 2HG1 VAL 63 2HG1 VAL 63 -1.455 1.616 12.877 478 3HG1 VAL 63 3HG1 VAL 63 -0.885 -0.031 13.147 479 1HG2 VAL 63 1HG2 VAL 63 -0.781 -0.658 9.671 480 2HG2 VAL 63 2HG2 VAL 63 -0.698 -1.353 11.290 481 3HG2 VAL 63 3HG2 VAL 63 -2.121 -0.436 10.796 482 H LYS 64 H LYS 64 1.354 2.952 9.976 483 HA LYS 64 HA LYS 64 1.872 4.567 12.134 484 1HB LYS 64 1HB LYS 64 2.652 5.364 9.336 485 2HB LYS 64 2HB LYS 64 3.540 5.628 10.831 486 1HG LYS 64 1HG LYS 64 3.162 3.055 9.330 487 2HG LYS 64 2HG LYS 64 4.667 3.911 9.676 488 1HD LYS 64 1HD LYS 64 2.871 2.565 11.694 489 2HD LYS 64 2HD LYS 64 4.433 1.971 11.125 490 1HE LYS 64 1HE LYS 64 5.374 4.195 11.974 491 2HE LYS 64 2HE LYS 64 3.843 4.373 12.830 492 1HZ LYS 64 1HZ LYS 64 4.265 2.389 14.049 493 2HZ LYS 64 2HZ LYS 64 5.649 3.355 14.165 494 3HZ LYS 64 3HZ LYS 64 5.632 2.024 13.121 495 H THR 65 H THR 65 0.815 5.895 8.998 496 HA THR 65 HA THR 65 0.099 8.408 9.994 497 HB THR 65 HB THR 65 -1.569 7.749 7.753 498 HG1 THR 65 1HG THR 65 -0.322 6.204 6.959 499 1HG2 THR 65 1HG2 THR 65 0.122 9.350 6.643 500 2HG2 THR 65 2HG2 THR 65 0.819 9.497 8.257 501 3HG2 THR 65 3HG2 THR 65 -0.858 9.963 7.974 502 H LEU 66 H LEU 66 -1.532 5.395 10.165 503 HA LEU 66 HA LEU 66 -4.029 6.730 10.968 504 1HB LEU 66 1HB LEU 66 -3.433 4.051 9.788 505 2HB LEU 66 2HB LEU 66 -4.888 4.275 10.756 506 HG LEU 66 HG LEU 66 -5.678 5.978 9.201 507 1HD1 LEU 66 1HD1 LEU 66 -3.151 5.383 7.669 508 2HD1 LEU 66 2HD1 LEU 66 -3.543 6.890 8.495 509 3HD1 LEU 66 3HD1 LEU 66 -4.487 6.380 7.096 510 1HD2 LEU 66 1HD2 LEU 66 -6.147 4.535 7.316 511 2HD2 LEU 66 2HD2 LEU 66 -6.229 3.608 8.814 512 3HD2 LEU 66 3HD2 LEU 66 -4.816 3.468 7.766 513 H GLN 67 H GLN 67 -2.172 6.912 12.863 514 HA GLN 67 HA GLN 67 -2.981 4.876 14.829 515 1HB GLN 67 1HB GLN 67 -0.275 5.880 14.132 516 2HB GLN 67 2HB GLN 67 -0.611 5.617 15.838 517 1HG GLN 67 1HG GLN 67 -1.543 3.363 14.376 518 2HG GLN 67 2HG GLN 67 0.108 3.724 13.873 519 1HE2 GLN 67 1HE2 GLN 67 1.518 2.566 14.952 520 2HE2 GLN 67 2HE2 GLN 67 1.433 2.144 16.625 521 HA PRO 68 HA PRO 68 -3.505 9.457 16.146 522 1HB PRO 68 1HB PRO 68 -6.149 9.775 15.622 523 2HB PRO 68 2HB PRO 68 -4.884 10.176 14.455 524 1HG PRO 68 1HG PRO 68 -6.593 7.725 14.628 525 2HG PRO 68 2HG PRO 68 -6.130 8.667 13.199 526 1HD PRO 68 1HD PRO 68 -4.906 6.348 13.873 527 2HD PRO 68 2HD PRO 68 -4.053 7.677 13.063 528 H VAL 69 H VAL 69 -6.076 6.982 16.299 529 HA VAL 69 HA VAL 69 -5.815 6.790 19.163 530 HB VAL 69 HB VAL 69 -8.370 7.227 19.399 531 1HG1 VAL 69 1HG1 VAL 69 -6.247 8.590 20.180 532 2HG1 VAL 69 2HG1 VAL 69 -6.861 9.760 19.011 533 3HG1 VAL 69 3HG1 VAL 69 -7.876 9.242 20.357 534 1HG2 VAL 69 1HG2 VAL 69 -8.800 7.507 17.004 535 2HG2 VAL 69 2HG2 VAL 69 -9.231 8.957 17.911 536 3HG2 VAL 69 3HG2 VAL 69 -7.735 8.914 16.978 537 H SER 70 H SER 70 -5.274 4.671 18.082 538 HA SER 70 HA SER 70 -7.429 3.114 17.009 539 1HB SER 70 1HB SER 70 -5.288 1.446 17.910 540 2HB SER 70 2HB SER 70 -5.722 1.876 16.256 541 HG SER 70 HG SER 70 -3.610 2.666 17.672 542 H ASP 71 H ASP 71 -6.697 4.082 20.087 543 HA ASP 71 HA ASP 71 -7.266 1.690 21.539 544 1HB ASP 71 1HB ASP 71 -7.309 3.102 23.503 545 2HB ASP 71 2HB ASP 71 -5.965 3.593 22.476 546 H LEU 72 H LEU 72 -9.185 3.896 19.836 547 HA LEU 72 HA LEU 72 -11.584 3.266 21.396 548 1HB LEU 72 1HB LEU 72 -12.642 5.076 20.348 549 2HB LEU 72 2HB LEU 72 -11.011 5.632 20.714 550 HG LEU 72 HG LEU 72 -10.594 4.848 18.209 551 1HD1 LEU 72 1HD1 LEU 72 -12.975 5.955 17.284 552 2HD1 LEU 72 2HD1 LEU 72 -13.461 4.775 18.500 553 3HD1 LEU 72 3HD1 LEU 72 -12.454 4.277 17.141 554 1HD2 LEU 72 1HD2 LEU 72 -10.694 7.108 17.581 555 2HD2 LEU 72 2HD2 LEU 72 -10.361 7.131 19.313 556 3HD2 LEU 72 3HD2 LEU 72 -11.992 7.457 18.724 557 H LEU 73 H LEU 73 -10.198 2.947 18.171 558 HA LEU 73 HA LEU 73 -12.404 1.906 16.827 559 1HB LEU 73 1HB LEU 73 -9.448 1.533 16.486 560 2HB LEU 73 2HB LEU 73 -10.600 0.707 15.439 561 HG LEU 73 HG LEU 73 -11.516 3.024 14.894 562 1HD1 LEU 73 1HD1 LEU 73 -10.715 4.636 16.229 563 2HD1 LEU 73 2HD1 LEU 73 -9.316 4.600 15.156 564 3HD1 LEU 73 3HD1 LEU 73 -9.287 3.700 16.672 565 1HD2 LEU 73 1HD2 LEU 73 -9.410 3.479 13.417 566 2HD2 LEU 73 2HD2 LEU 73 -10.390 2.037 13.148 567 3HD2 LEU 73 3HD2 LEU 73 -8.876 1.921 14.047 568 H THR 74 H THR 74 -9.930 0.264 18.755 569 HA THR 74 HA THR 74 -10.714 -2.373 18.252 570 HB THR 74 HB THR 74 -9.665 -1.526 20.937 571 HG1 THR 74 1HG THR 74 -7.956 -0.721 20.001 572 1HG2 THR 74 1HG2 THR 74 -10.131 -3.891 20.617 573 2HG2 THR 74 2HG2 THR 74 -8.389 -3.628 20.712 574 3HG2 THR 74 3HG2 THR 74 -9.155 -3.906 19.148 575 H ASN 75 H ASN 75 -12.201 0.086 20.137 576 HA ASN 75 HA ASN 75 -13.708 -1.689 21.827 577 1HB ASN 75 1HB ASN 75 -14.134 1.255 21.269 578 2HB ASN 75 2HB ASN 75 -14.853 0.332 22.586 579 1HD2 ASN 75 1HD2 ASN 75 -13.277 2.665 22.861 580 2HD2 ASN 75 2HD2 ASN 75 -11.852 2.237 23.739 581 H MET 76 H MET 76 -14.178 -0.054 18.771 582 HA MET 76 HA MET 76 -16.991 -0.767 18.659 583 1HB MET 76 1HB MET 76 -17.039 0.432 16.566 584 2HB MET 76 2HB MET 76 -16.176 1.399 17.754 585 1HG MET 76 1HG MET 76 -14.109 0.999 16.758 586 2HG MET 76 2HG MET 76 -14.712 -0.387 15.852 587 1HE MET 76 1HE MET 76 -15.014 4.005 15.182 588 2HE MET 76 2HE MET 76 -14.034 3.045 16.290 589 3HE MET 76 3HE MET 76 -13.519 3.260 14.616 590 H GLY 77 H GLY 77 -13.948 -2.020 17.639 591 1HA GLY 77 2HA GLY 77 -14.336 -4.523 17.129 592 2HA GLY 77 1HA GLY 77 -15.258 -3.883 15.776 593 H ILE 78 H ILE 78 -13.607 -1.743 15.056 594 HA ILE 78 HA ILE 78 -11.736 -3.039 13.404 595 HB ILE 78 HB ILE 78 -11.888 -0.119 14.159 596 1HG1 ILE 78 1HG1 ILE 78 -12.909 -1.495 11.670 597 2HG1 ILE 78 2HG1 ILE 78 -13.920 -1.151 13.069 598 1HG2 ILE 78 1HG2 ILE 78 -9.707 -0.603 13.282 599 2HG2 ILE 78 2HG2 ILE 78 -10.401 -1.513 11.940 600 3HG2 ILE 78 3HG2 ILE 78 -10.639 0.232 12.039 601 1HD1 ILE 78 1HD1 ILE 78 -13.387 1.254 12.785 602 2HD1 ILE 78 2HD1 ILE 78 -12.534 0.842 11.297 603 3HD1 ILE 78 3HD1 ILE 78 -14.268 0.547 11.431 604 H ASP 79 H ASP 79 -9.837 -3.878 13.920 605 HA ASP 79 HA ASP 79 -8.406 -2.812 16.261 606 1HB ASP 79 1HB ASP 79 -9.117 -5.427 15.643 607 2HB ASP 79 2HB ASP 79 -7.408 -5.344 15.225 608 H LEU 80 H LEU 80 -6.381 -2.024 16.065 609 HA LEU 80 HA LEU 80 -5.351 -1.674 13.365 610 1HB LEU 80 1HB LEU 80 -5.405 -0.093 15.666 611 2HB LEU 80 2HB LEU 80 -3.713 -0.535 15.450 612 HG LEU 80 HG LEU 80 -5.485 1.022 13.585 613 1HD1 LEU 80 1HD1 LEU 80 -4.539 2.635 14.832 614 2HD1 LEU 80 2HD1 LEU 80 -3.143 2.348 13.795 615 3HD1 LEU 80 3HD1 LEU 80 -3.231 1.590 15.385 616 1HD2 LEU 80 1HD2 LEU 80 -4.378 -0.450 12.117 617 2HD2 LEU 80 2HD2 LEU 80 -2.870 -0.352 13.026 618 3HD2 LEU 80 3HD2 LEU 80 -3.431 1.038 12.094 619 H ASP 81 H ASP 81 -4.519 -3.261 16.377 620 HA ASP 81 HA ASP 81 -1.852 -3.927 15.739 621 1HB ASP 81 1HB ASP 81 -3.710 -4.463 17.859 622 2HB ASP 81 2HB ASP 81 -2.920 -5.965 17.388 623 H GLU 82 H GLU 82 -4.853 -5.150 14.633 624 HA GLU 82 HA GLU 82 -3.823 -7.732 13.838 625 1HB GLU 82 1HB GLU 82 -5.988 -8.264 13.201 626 2HB GLU 82 2HB GLU 82 -6.260 -7.117 14.505 627 1HG GLU 82 1HG GLU 82 -6.357 -5.352 12.630 628 2HG GLU 82 2HG GLU 82 -6.589 -6.733 11.560 629 H TRP 83 H TRP 83 -4.338 -4.589 12.415 630 HA TRP 83 HA TRP 83 -4.322 -5.156 9.716 631 1HB TRP 83 1HB TRP 83 -3.182 -2.842 11.271 632 2HB TRP 83 2HB TRP 83 -3.106 -2.899 9.513 633 HD1 TRP 83 HD TRP 83 -6.263 -4.370 10.874 634 HE1 TRP 83 1HE TRP 83 -8.216 -2.734 10.516 635 HE3 TRP 83 3HE TRP 83 -3.606 -0.224 9.499 636 HZ2 TRP 83 2HZ TRP 83 -8.583 -0.041 9.751 637 HZ3 TRP 83 3HZ TRP 83 -4.834 1.841 8.970 638 HH2 TRP 83 HH TRP 83 -7.271 1.929 9.093 639 H SER 84 H SER 84 -1.560 -4.845 11.911 640 HA SER 84 HA SER 84 0.428 -5.170 9.916 641 1HB SER 84 1HB SER 84 0.449 -4.466 12.565 642 2HB SER 84 2HB SER 84 1.139 -6.089 12.619 643 HG SER 84 HG SER 84 2.660 -5.396 11.048 644 H VAL 85 H VAL 85 -1.343 -7.407 11.966 645 HA VAL 85 HA VAL 85 0.103 -9.659 10.747 646 HB VAL 85 HB VAL 85 -0.800 -11.042 12.556 647 1HG1 VAL 85 1HG1 VAL 85 1.332 -10.142 13.005 648 2HG1 VAL 85 2HG1 VAL 85 0.672 -8.541 13.343 649 3HG1 VAL 85 3HG1 VAL 85 0.387 -9.869 14.468 650 1HG2 VAL 85 1HG2 VAL 85 -2.682 -9.011 12.806 651 2HG2 VAL 85 2HG2 VAL 85 -2.504 -10.422 13.850 652 3HG2 VAL 85 3HG2 VAL 85 -1.713 -8.904 14.276 653 H ALA 86 H ALA 86 -1.827 -8.282 9.221 654 HA ALA 86 HA ALA 86 -4.033 -10.234 9.123 655 1HB ALA 86 1HB ALA 86 -5.024 -8.157 9.528 656 2HB ALA 86 2HB ALA 86 -3.940 -7.320 8.415 657 3HB ALA 86 3HB ALA 86 -5.197 -8.386 7.788 658 H THR 87 H THR 87 -5.025 -9.987 6.692 659 HA THR 87 HA THR 87 -2.767 -10.619 4.906 660 HB THR 87 HB THR 87 -5.561 -11.622 4.444 661 HG1 THR 87 1HG THR 87 -4.755 -12.226 6.600 662 1HG2 THR 87 1HG2 THR 87 -2.920 -12.909 3.781 663 2HG2 THR 87 2HG2 THR 87 -3.709 -11.754 2.707 664 3HG2 THR 87 3HG2 THR 87 -4.510 -13.271 3.112 665 H PHE 88 H PHE 88 -2.444 -8.700 3.875 666 HA PHE 88 HA PHE 88 -4.713 -7.245 2.778 667 1HB PHE 88 1HB PHE 88 -1.814 -6.667 3.184 668 2HB PHE 88 2HB PHE 88 -2.666 -5.788 1.919 669 HD1 PHE 88 1HD PHE 88 -2.844 -3.625 2.734 670 HD2 PHE 88 2HD PHE 88 -3.900 -6.897 5.243 671 HE1 PHE 88 1HE PHE 88 -3.714 -2.052 4.414 672 HE2 PHE 88 2HE PHE 88 -4.773 -5.330 6.926 673 HZ PHE 88 HZ PHE 88 -4.681 -2.904 6.513 674 H TYR 89 H TYR 89 -5.475 -7.693 0.830 675 HA TYR 89 HA TYR 89 -3.733 -9.046 -1.105 676 1HB TYR 89 1HB TYR 89 -6.725 -8.718 -1.304 677 2HB TYR 89 2HB TYR 89 -5.701 -9.861 -2.166 678 HD1 TYR 89 1HD TYR 89 -4.905 -11.883 -1.082 679 HD2 TYR 89 2HD TYR 89 -7.367 -9.113 1.007 680 HE1 TYR 89 1HE TYR 89 -5.321 -13.573 0.656 681 HE2 TYR 89 2HE TYR 89 -7.789 -10.795 2.752 682 HH TYR 89 HH TYR 89 -7.605 -12.991 3.275 683 H LEU 90 H LEU 90 -2.982 -7.990 -2.815 684 HA LEU 90 HA LEU 90 -4.086 -5.341 -3.422 685 1HB LEU 90 1HB LEU 90 -1.493 -6.591 -4.318 686 2HB LEU 90 2HB LEU 90 -2.001 -4.928 -4.603 687 HG LEU 90 HG LEU 90 -0.479 -4.733 -2.864 688 1HD1 LEU 90 1HD1 LEU 90 -2.806 -3.772 -2.416 689 2HD1 LEU 90 2HD1 LEU 90 -1.700 -3.913 -1.050 690 3HD1 LEU 90 3HD1 LEU 90 -2.990 -5.096 -1.265 691 1HD2 LEU 90 1HD2 LEU 90 -1.682 -6.870 -1.176 692 2HD2 LEU 90 2HD2 LEU 90 -0.021 -6.279 -1.239 693 3HD2 LEU 90 3HD2 LEU 90 -0.631 -7.337 -2.513 694 H PHE 91 H PHE 91 -5.871 -5.940 -4.656 695 HA PHE 91 HA PHE 91 -5.581 -7.680 -6.932 696 1HB PHE 91 1HB PHE 91 -7.769 -6.397 -5.490 697 2HB PHE 91 2HB PHE 91 -7.993 -6.346 -7.236 698 HD1 PHE 91 1HD PHE 91 -8.516 -8.300 -8.470 699 HD2 PHE 91 2HD PHE 91 -7.537 -8.569 -4.336 700 HE1 PHE 91 1HE PHE 91 -9.308 -10.630 -8.437 701 HE2 PHE 91 2HE PHE 91 -8.326 -10.899 -4.297 702 HZ PHE 91 HZ PHE 91 -9.212 -11.933 -6.350 703 H ASP 92 H ASP 92 -6.771 -6.709 -9.023 704 HA ASP 92 HA ASP 92 -5.524 -4.111 -9.623 705 1HB ASP 92 1HB ASP 92 -4.714 -6.570 -10.668 706 2HB ASP 92 2HB ASP 92 -5.685 -5.844 -11.946 707 H ASP 93 H ASP 93 -6.388 -3.806 -12.208 708 HA ASP 93 HA ASP 93 -9.207 -3.271 -11.779 709 1HB ASP 93 1HB ASP 93 -7.753 -2.638 -14.325 710 2HB ASP 93 2HB ASP 93 -9.071 -1.762 -13.550 711 H ALA 94 H ALA 94 -7.554 -5.884 -12.799 712 HA ALA 94 HA ALA 94 -9.629 -6.658 -14.745 713 1HB ALA 94 1HB ALA 94 -6.834 -7.767 -14.514 714 2HB ALA 94 2HB ALA 94 -8.035 -8.177 -15.740 715 3HB ALA 94 3HB ALA 94 -7.350 -6.553 -15.685 716 H GLY 95 H GLY 95 -8.675 -7.078 -11.616 717 1HA GLY 95 2HA GLY 95 -9.703 -8.501 -10.064 718 2HA GLY 95 1HA GLY 95 -10.239 -9.523 -11.389 719 H GLU 96 H GLU 96 -6.932 -8.438 -10.853 720 HA GLU 96 HA GLU 96 -6.196 -11.166 -10.048 721 1HB GLU 96 1HB GLU 96 -4.194 -11.013 -11.518 722 2HB GLU 96 2HB GLU 96 -5.713 -11.056 -12.403 723 1HG GLU 96 1HG GLU 96 -5.504 -8.465 -12.353 724 2HG GLU 96 2HG GLU 96 -3.803 -8.798 -12.033 725 H GLU 97 H GLU 97 -4.143 -11.322 -8.945 726 HA GLU 97 HA GLU 97 -3.635 -8.958 -7.323 727 1HB GLU 97 1HB GLU 97 -3.960 -11.336 -6.406 728 2HB GLU 97 2HB GLU 97 -2.331 -11.650 -6.988 729 1HG GLU 97 1HG GLU 97 -1.358 -10.378 -5.386 730 2HG GLU 97 2HG GLU 97 -2.715 -9.257 -5.294 731 H ASN 98 H ASN 98 -2.678 -7.947 -9.332 732 HA ASN 98 HA ASN 98 0.176 -8.656 -9.534 733 1HB ASN 98 1HB ASN 98 -1.532 -7.374 -11.678 734 2HB ASN 98 2HB ASN 98 0.159 -7.842 -11.829 735 1HD2 ASN 98 1HD2 ASN 98 -1.733 -8.739 -13.595 736 2HD2 ASN 98 2HD2 ASN 98 -1.966 -10.437 -13.380 737 H PHE 99 H PHE 99 1.616 -7.113 -9.057 738 HA PHE 99 HA PHE 99 0.695 -4.610 -8.009 739 1HB PHE 99 1HB PHE 99 2.901 -4.265 -7.274 740 2HB PHE 99 2HB PHE 99 2.691 -6.012 -7.193 741 HD1 PHE 99 1HD PHE 99 5.169 -3.962 -7.632 742 HD2 PHE 99 2HD PHE 99 3.033 -6.770 -10.014 743 HE1 PHE 99 1HE PHE 99 7.154 -4.260 -9.055 744 HE2 PHE 99 2HE PHE 99 5.015 -7.072 -11.440 745 HZ PHE 99 HZ PHE 99 7.079 -5.818 -10.961 746 H SER 100 H SER 100 -0.249 -4.394 -10.406 747 HA SER 100 HA SER 100 1.598 -3.307 -12.320 748 1HB SER 100 1HB SER 100 -0.566 -4.527 -12.872 749 2HB SER 100 2HB SER 100 -1.412 -3.058 -12.385 750 HG SER 100 HG SER 100 -1.045 -3.028 -14.608 751 H SER 101 H SER 101 0.344 -1.129 -13.369 752 HA SER 101 HA SER 101 1.330 0.995 -11.924 753 1HB SER 101 1HB SER 101 -0.885 0.881 -13.971 754 2HB SER 101 2HB SER 101 -0.292 2.402 -13.304 755 HG SER 101 HG SER 101 0.684 1.330 -15.349 756 H ARG 102 H ARG 102 -1.771 -0.590 -11.642 757 HA ARG 102 HA ARG 102 -2.352 1.087 -9.300 758 1HB ARG 102 1HB ARG 102 -3.766 1.908 -11.092 759 2HB ARG 102 2HB ARG 102 -4.311 0.276 -11.453 760 1HG ARG 102 1HG ARG 102 -6.022 1.440 -10.238 761 2HG ARG 102 2HG ARG 102 -5.352 0.165 -9.218 762 1HD ARG 102 1HD ARG 102 -4.480 1.627 -7.737 763 2HD ARG 102 2HD ARG 102 -4.045 2.792 -8.987 764 HE ARG 102 HE ARG 102 -6.475 2.721 -7.451 765 1HH1 ARG 102 2HH1 ARG 102 -4.982 3.794 -10.407 766 2HH1 ARG 102 1HH1 ARG 102 -6.113 5.082 -10.663 767 1HH2 ARG 102 2HH2 ARG 102 -7.970 4.412 -7.777 768 2HH2 ARG 102 1HH2 ARG 102 -7.811 5.433 -9.166 769 H MET 103 H MET 103 -2.869 -0.030 -7.523 770 HA MET 103 HA MET 103 -3.780 -2.809 -7.818 771 1HB MET 103 1HB MET 103 -2.327 -3.462 -5.926 772 2HB MET 103 2HB MET 103 -1.410 -2.922 -7.326 773 1HG MET 103 1HG MET 103 -1.386 -0.632 -6.149 774 2HG MET 103 2HG MET 103 -1.840 -1.543 -4.710 775 1HE MET 103 1HE MET 103 1.368 -2.552 -3.298 776 2HE MET 103 2HE MET 103 0.419 -1.067 -3.229 777 3HE MET 103 3HE MET 103 -0.392 -2.634 -3.234 778 H TYR 104 H TYR 104 -5.695 -2.995 -6.879 779 HA TYR 104 HA TYR 104 -6.607 -1.081 -4.932 780 1HB TYR 104 1HB TYR 104 -7.853 -3.463 -6.279 781 2HB TYR 104 2HB TYR 104 -8.661 -2.652 -4.942 782 HD1 TYR 104 1HD TYR 104 -8.431 0.109 -5.321 783 HD2 TYR 104 2HD TYR 104 -8.739 -2.891 -8.322 784 HE1 TYR 104 1HE TYR 104 -9.351 1.773 -6.882 785 HE2 TYR 104 2HE TYR 104 -9.659 -1.236 -9.891 786 HH TYR 104 HH TYR 104 -10.921 1.612 -9.028 787 H CYS 105 H CYS 105 -6.846 -1.343 -2.776 788 HA CYS 105 HA CYS 105 -5.597 -3.699 -1.591 789 1HB CYS 105 1HB CYS 105 -5.858 -0.906 -0.865 790 2HB CYS 105 2HB CYS 105 -6.358 -1.951 0.459 791 HG CYS 105 HG CYS 105 -3.759 -1.377 1.023 792 H SER 106 H SER 106 -7.221 -5.244 -1.864 793 HA SER 106 HA SER 106 -9.857 -4.743 -0.757 794 1HB SER 106 1HB SER 106 -9.924 -7.365 -1.400 795 2HB SER 106 2HB SER 106 -10.207 -6.078 -2.572 796 HG SER 106 HG SER 106 -8.123 -6.280 -3.288 797 H PHE 107 H PHE 107 -10.487 -5.267 1.231 798 HA PHE 107 HA PHE 107 -8.632 -6.347 3.108 799 1HB PHE 107 1HB PHE 107 -10.334 -6.002 4.751 800 2HB PHE 107 2HB PHE 107 -10.424 -4.650 3.627 801 HD1 PHE 107 1HD PHE 107 -12.298 -4.416 2.107 802 HD2 PHE 107 2HD PHE 107 -12.090 -7.645 4.872 803 HE1 PHE 107 1HE PHE 107 -14.685 -4.882 1.737 804 HE2 PHE 107 2HE PHE 107 -14.477 -8.117 4.506 805 HZ PHE 107 HZ PHE 107 -15.778 -6.736 2.936 806 H TYR 108 H TYR 108 -10.666 -7.778 0.867 807 HA TYR 108 HA TYR 108 -10.799 -10.277 2.421 808 1HB TYR 108 1HB TYR 108 -12.684 -10.931 1.046 809 2HB TYR 108 2HB TYR 108 -12.996 -9.344 1.739 810 HD1 TYR 108 1HD TYR 108 -12.741 -11.262 -1.280 811 HD2 TYR 108 2HD TYR 108 -12.627 -7.302 0.272 812 HE1 TYR 108 1HE TYR 108 -13.178 -10.373 -3.532 813 HE2 TYR 108 2HE TYR 108 -13.065 -6.402 -1.975 814 HH TYR 108 HH TYR 108 -13.942 -8.450 -4.636 815 HA PRO 109 HA PRO 109 -8.090 -12.270 -0.398 816 1HB PRO 109 1HB PRO 109 -9.099 -14.790 -0.414 817 2HB PRO 109 2HB PRO 109 -8.221 -14.116 0.964 818 1HG PRO 109 1HG PRO 109 -11.173 -14.378 0.544 819 2HG PRO 109 2HG PRO 109 -10.218 -14.700 2.003 820 1HD PRO 109 1HD PRO 109 -11.631 -12.416 1.661 821 2HD PRO 109 2HD PRO 109 -10.110 -12.471 2.576 822 HA PRO 110 HA PRO 110 -9.719 -12.465 -4.477 823 1HB PRO 110 1HB PRO 110 -8.279 -14.472 -5.603 824 2HB PRO 110 2HB PRO 110 -7.586 -12.893 -5.216 825 1HG PRO 110 1HG PRO 110 -7.429 -15.458 -3.681 826 2HG PRO 110 2HG PRO 110 -6.153 -14.271 -4.010 827 1HD PRO 110 1HD PRO 110 -7.464 -14.383 -1.643 828 2HD PRO 110 2HD PRO 110 -6.857 -12.861 -2.328 829 H ASP 111 H ASP 111 -9.284 -15.754 -3.162 830 HA ASP 111 HA ASP 111 -11.978 -16.471 -3.282 831 1HB ASP 111 1HB ASP 111 -10.672 -16.546 -5.833 832 2HB ASP 111 2HB ASP 111 -11.072 -18.190 -5.343 833 H GLU 112 H GLU 112 -8.631 -17.493 -3.492 834 HA GLU 112 HA GLU 112 -8.823 -20.164 -2.828 835 1HB GLU 112 1HB GLU 112 -6.774 -18.119 -2.748 836 2HB GLU 112 2HB GLU 112 -6.610 -19.228 -1.394 837 1HG GLU 112 1HG GLU 112 -5.414 -20.435 -2.849 838 2HG GLU 112 2HG GLU 112 -6.995 -20.979 -3.405 Start of MODEL 20 1 1H ALA 1 1H ALA 1 15.012 12.407 -8.925 2 HA ALA 1 HA ALA 1 12.992 10.684 -8.254 3 1HB ALA 1 1HB ALA 1 12.949 10.318 -10.444 4 2HB ALA 1 2HB ALA 1 14.407 11.303 -10.574 5 3HB ALA 1 3HB ALA 1 14.538 9.552 -10.408 6 HA PRO 2 HA PRO 2 14.652 7.120 -6.307 7 1HB PRO 2 1HB PRO 2 13.201 5.115 -7.423 8 2HB PRO 2 2HB PRO 2 12.519 6.265 -6.267 9 1HG PRO 2 1HG PRO 2 12.331 6.245 -9.255 10 2HG PRO 2 2HG PRO 2 11.067 6.580 -8.056 11 1HD PRO 2 1HD PRO 2 12.364 8.545 -9.394 12 2HD PRO 2 2HD PRO 2 11.774 8.750 -7.732 13 H ILE 3 H ILE 3 16.698 7.598 -7.613 14 HA ILE 3 HA ILE 3 17.186 5.781 -9.824 15 HB ILE 3 HB ILE 3 19.175 7.608 -8.482 16 1HG1 ILE 3 1HG1 ILE 3 17.431 8.191 -10.885 17 2HG1 ILE 3 2HG1 ILE 3 17.173 8.854 -9.275 18 1HG2 ILE 3 1HG2 ILE 3 20.185 7.504 -10.817 19 2HG2 ILE 3 2HG2 ILE 3 20.318 6.055 -9.821 20 3HG2 ILE 3 3HG2 ILE 3 19.106 6.138 -11.100 21 1HD1 ILE 3 1HD1 ILE 3 19.419 9.406 -11.180 22 2HD1 ILE 3 2HD1 ILE 3 18.260 10.537 -10.479 23 3HD1 ILE 3 3HD1 ILE 3 19.512 9.816 -9.467 24 H LYS 4 H LYS 4 19.002 4.307 -9.837 25 HA LYS 4 HA LYS 4 19.028 2.546 -7.671 26 1HB LYS 4 1HB LYS 4 20.208 2.692 -10.263 27 2HB LYS 4 2HB LYS 4 21.467 2.258 -9.115 28 1HG LYS 4 1HG LYS 4 18.913 0.800 -8.869 29 2HG LYS 4 2HG LYS 4 19.881 0.468 -10.308 30 1HD LYS 4 1HD LYS 4 20.986 -0.988 -9.014 31 2HD LYS 4 2HD LYS 4 21.756 0.433 -8.306 32 1HE LYS 4 1HE LYS 4 19.421 0.311 -6.906 33 2HE LYS 4 2HE LYS 4 19.761 -1.397 -7.179 34 1HZ LYS 4 1HZ LYS 4 20.857 0.200 -5.237 35 2HZ LYS 4 2HZ LYS 4 22.097 0.015 -6.372 36 3HZ LYS 4 3HZ LYS 4 21.376 -1.349 -5.678 37 H GLY 5 H GLY 5 21.528 1.843 -6.990 38 1HA GLY 5 2HA GLY 5 22.200 3.636 -4.946 39 2HA GLY 5 1HA GLY 5 23.217 2.318 -5.511 40 H VAL 6 H VAL 6 22.593 5.716 -5.639 41 HA VAL 6 HA VAL 6 23.752 7.483 -6.493 42 HB VAL 6 HB VAL 6 26.029 5.527 -6.175 43 1HG1 VAL 6 1HG1 VAL 6 25.980 8.376 -7.057 44 2HG1 VAL 6 2HG1 VAL 6 27.328 7.798 -6.076 45 3HG1 VAL 6 3HG1 VAL 6 26.976 7.037 -7.628 46 1HG2 VAL 6 1HG2 VAL 6 26.474 6.692 -4.113 47 2HG2 VAL 6 2HG2 VAL 6 25.183 7.848 -4.443 48 3HG2 VAL 6 3HG2 VAL 6 24.793 6.158 -4.120 49 H THR 7 H THR 7 22.797 7.595 -8.523 50 HA THR 7 HA THR 7 24.568 7.089 -10.732 51 HB THR 7 HB THR 7 21.918 5.888 -11.257 52 HG1 THR 7 1HG THR 7 23.887 4.448 -9.784 53 1HG2 THR 7 1HG2 THR 7 23.556 4.177 -12.325 54 2HG2 THR 7 2HG2 THR 7 24.772 5.422 -12.040 55 3HG2 THR 7 3HG2 THR 7 23.377 5.769 -13.061 56 H PHE 8 H PHE 8 23.655 7.908 -12.797 57 HA PHE 8 HA PHE 8 21.282 9.419 -12.900 58 1HB PHE 8 1HB PHE 8 22.095 11.674 -12.774 59 2HB PHE 8 2HB PHE 8 22.604 10.842 -11.309 60 HD1 PHE 8 1HD PHE 8 23.682 12.458 -14.375 61 HD2 PHE 8 2HD PHE 8 24.951 10.224 -10.982 62 HE1 PHE 8 1HE PHE 8 26.012 13.111 -14.822 63 HE2 PHE 8 2HE PHE 8 27.283 10.873 -11.423 64 HZ PHE 8 HZ PHE 8 27.816 12.319 -13.344 65 H GLY 9 H GLY 9 20.868 10.209 -14.959 66 1HA GLY 9 2HA GLY 9 21.034 10.192 -17.251 67 2HA GLY 9 1HA GLY 9 22.671 10.768 -16.976 68 H GLU 10 H GLU 10 20.725 7.802 -17.109 69 HA GLU 10 HA GLU 10 23.135 6.372 -18.020 70 1HB GLU 10 1HB GLU 10 20.895 5.604 -16.246 71 2HB GLU 10 2HB GLU 10 21.438 4.370 -17.373 72 1HG GLU 10 1HG GLU 10 23.783 4.837 -16.504 73 2HG GLU 10 2HG GLU 10 22.995 5.723 -15.199 74 H ASP 11 H ASP 11 19.650 6.743 -18.520 75 HA ASP 11 HA ASP 11 19.878 6.531 -21.335 76 1HB ASP 11 1HB ASP 11 20.079 4.086 -20.370 77 2HB ASP 11 2HB ASP 11 18.328 4.223 -20.232 78 H THR 12 H THR 12 17.433 5.487 -18.956 79 HA THR 12 HA THR 12 15.838 7.830 -19.336 80 HB THR 12 HB THR 12 15.250 6.717 -21.420 81 HG1 THR 12 1HG THR 12 12.917 6.388 -20.858 82 1HG2 THR 12 1HG2 THR 12 15.473 4.366 -19.891 83 2HG2 THR 12 2HG2 THR 12 15.065 4.504 -21.601 84 3HG2 THR 12 3HG2 THR 12 13.785 4.473 -20.389 85 H VAL 13 H VAL 13 13.834 7.762 -18.073 86 HA VAL 13 HA VAL 13 14.246 6.372 -15.591 87 HB VAL 13 HB VAL 13 11.744 7.889 -16.259 88 1HG1 VAL 13 1HG1 VAL 13 12.104 8.587 -13.831 89 2HG1 VAL 13 2HG1 VAL 13 11.650 6.908 -14.128 90 3HG1 VAL 13 3HG1 VAL 13 13.327 7.319 -13.771 91 1HG2 VAL 13 1HG2 VAL 13 14.498 8.935 -16.092 92 2HG2 VAL 13 2HG2 VAL 13 13.080 9.593 -16.911 93 3HG2 VAL 13 3HG2 VAL 13 13.278 9.816 -15.173 94 H TRP 14 H TRP 14 12.487 5.152 -14.524 95 HA TRP 14 HA TRP 14 11.069 3.379 -14.419 96 1HB TRP 14 1HB TRP 14 10.104 4.837 -16.840 97 2HB TRP 14 2HB TRP 14 9.470 3.223 -16.528 98 HD1 TRP 14 HD TRP 14 9.726 6.658 -14.756 99 HE1 TRP 14 1HE TRP 14 7.704 6.891 -13.180 100 HE3 TRP 14 3HE TRP 14 7.665 2.023 -15.391 101 HZ2 TRP 14 2HZ TRP 14 5.524 5.317 -12.320 102 HZ3 TRP 14 3HZ TRP 14 5.611 1.466 -14.155 103 HH2 TRP 14 HH TRP 14 4.565 3.081 -12.651 104 H GLU 15 H GLU 15 13.689 3.357 -16.034 105 HA GLU 15 HA GLU 15 13.317 0.645 -17.056 106 1HB GLU 15 1HB GLU 15 14.120 3.015 -18.657 107 2HB GLU 15 2HB GLU 15 14.997 1.520 -18.952 108 1HG GLU 15 1HG GLU 15 12.171 1.019 -18.856 109 2HG GLU 15 2HG GLU 15 12.536 2.294 -20.017 110 H VAL 16 H VAL 16 15.629 3.255 -16.388 111 HA VAL 16 HA VAL 16 17.661 1.242 -15.723 112 HB VAL 16 HB VAL 16 18.232 3.084 -17.341 113 1HG1 VAL 16 1HG1 VAL 16 18.634 4.965 -15.099 114 2HG1 VAL 16 2HG1 VAL 16 18.213 5.277 -16.784 115 3HG1 VAL 16 3HG1 VAL 16 16.974 4.741 -15.648 116 1HG2 VAL 16 1HG2 VAL 16 20.156 3.630 -15.256 117 2HG2 VAL 16 2HG2 VAL 16 19.740 1.917 -15.313 118 3HG2 VAL 16 3HG2 VAL 16 20.352 2.725 -16.757 119 H GLN 17 H GLN 17 15.687 3.766 -14.373 120 HA GLN 17 HA GLN 17 17.062 4.272 -11.996 121 1HB GLN 17 1HB GLN 17 15.198 5.429 -11.330 122 2HB GLN 17 2HB GLN 17 14.887 5.336 -13.058 123 1HG GLN 17 1HG GLN 17 13.479 3.336 -12.639 124 2HG GLN 17 2HG GLN 17 13.705 3.594 -10.910 125 1HE2 GLN 17 1HE2 GLN 17 11.262 3.620 -12.502 126 2HE2 GLN 17 2HE2 GLN 17 10.543 5.171 -12.251 127 H GLY 18 H GLY 18 14.973 1.623 -12.924 128 1HA GLY 18 2HA GLY 18 14.684 -0.439 -11.937 129 2HA GLY 18 1HA GLY 18 15.917 0.007 -10.766 130 H TYR 19 H TYR 19 12.860 1.655 -11.437 131 HA TYR 19 HA TYR 19 11.648 0.642 -9.016 132 1HB TYR 19 1HB TYR 19 12.626 3.476 -9.255 133 2HB TYR 19 2HB TYR 19 11.260 3.071 -8.221 134 HD1 TYR 19 1HD TYR 19 11.594 1.520 -6.296 135 HD2 TYR 19 2HD TYR 19 14.858 3.000 -8.590 136 HE1 TYR 19 1HE TYR 19 13.141 0.888 -4.491 137 HE2 TYR 19 2HE TYR 19 16.414 2.371 -6.793 138 HH TYR 19 HH TYR 19 16.415 1.916 -4.434 139 H LYS 20 H LYS 20 9.468 1.774 -8.657 140 HA LYS 20 HA LYS 20 8.275 2.879 -11.060 141 1HB LYS 20 1HB LYS 20 7.748 0.122 -10.072 142 2HB LYS 20 2HB LYS 20 6.370 1.056 -10.641 143 1HG LYS 20 1HG LYS 20 6.909 0.203 -12.637 144 2HG LYS 20 2HG LYS 20 8.139 1.469 -12.652 145 1HD LYS 20 1HD LYS 20 9.192 -0.604 -13.231 146 2HD LYS 20 2HD LYS 20 9.720 -0.155 -11.607 147 1HE LYS 20 1HE LYS 20 9.028 -2.131 -10.869 148 2HE LYS 20 2HE LYS 20 7.377 -1.692 -11.305 149 1HZ LYS 20 1HZ LYS 20 7.971 -2.488 -13.610 150 2HZ LYS 20 2HZ LYS 20 7.824 -3.685 -12.424 151 3HZ LYS 20 3HZ LYS 20 9.357 -3.177 -12.928 152 H ASN 21 H ASN 21 5.990 3.528 -10.687 153 HA ASN 21 HA ASN 21 5.553 4.198 -7.850 154 1HB ASN 21 1HB ASN 21 4.804 5.797 -10.308 155 2HB ASN 21 2HB ASN 21 4.390 6.235 -8.653 156 1HD2 ASN 21 1HD2 ASN 21 6.778 6.270 -11.085 157 2HD2 ASN 21 2HD2 ASN 21 8.016 7.069 -10.182 158 H VAL 22 H VAL 22 3.724 3.509 -6.947 159 HA VAL 22 HA VAL 22 1.389 2.962 -8.618 160 HB VAL 22 HB VAL 22 2.487 0.808 -8.523 161 1HG1 VAL 22 1HG1 VAL 22 2.250 0.273 -5.697 162 2HG1 VAL 22 2HG1 VAL 22 3.641 0.078 -6.766 163 3HG1 VAL 22 3HG1 VAL 22 3.328 1.635 -5.999 164 1HG2 VAL 22 1HG2 VAL 22 0.677 -0.486 -7.797 165 2HG2 VAL 22 2HG2 VAL 22 0.257 0.654 -6.518 166 3HG2 VAL 22 3HG2 VAL 22 -0.041 1.072 -8.205 167 H ARG 23 H ARG 23 -0.376 3.775 -7.706 168 HA ARG 23 HA ARG 23 -0.290 4.471 -4.859 169 1HB ARG 23 1HB ARG 23 -1.752 5.543 -7.231 170 2HB ARG 23 2HB ARG 23 -2.488 5.723 -5.644 171 1HG ARG 23 1HG ARG 23 -1.183 7.690 -6.311 172 2HG ARG 23 2HG ARG 23 -0.562 6.934 -4.842 173 1HD ARG 23 1HD ARG 23 1.334 6.158 -5.881 174 2HD ARG 23 2HD ARG 23 0.573 6.113 -7.471 175 HE ARG 23 HE ARG 23 2.054 8.260 -6.366 176 1HH1 ARG 23 2HH1 ARG 23 -0.727 7.569 -8.343 177 2HH1 ARG 23 1HH1 ARG 23 -0.640 9.063 -9.217 178 1HH2 ARG 23 2HH2 ARG 23 2.179 10.230 -7.509 179 2HH2 ARG 23 1HH2 ARG 23 1.014 10.575 -8.742 180 H ILE 24 H ILE 24 -2.308 4.233 -3.609 181 HA ILE 24 HA ILE 24 -3.818 1.841 -4.441 182 HB ILE 24 HB ILE 24 -3.440 2.506 -1.551 183 1HG1 ILE 24 1HG1 ILE 24 -1.172 2.517 -2.408 184 2HG1 ILE 24 2HG1 ILE 24 -1.444 1.023 -1.518 185 1HG2 ILE 24 1HG2 ILE 24 -4.499 0.576 -1.265 186 2HG2 ILE 24 2HG2 ILE 24 -4.728 0.491 -3.011 187 3HG2 ILE 24 3HG2 ILE 24 -3.321 -0.269 -2.268 188 1HD1 ILE 24 1HD1 ILE 24 -0.803 -0.140 -3.280 189 2HD1 ILE 24 2HD1 ILE 24 -2.107 0.566 -4.236 190 3HD1 ILE 24 3HD1 ILE 24 -0.534 1.358 -4.170 191 H THR 25 H THR 25 -6.003 1.867 -4.211 192 HA THR 25 HA THR 25 -7.361 3.837 -2.623 193 HB THR 25 HB THR 25 -7.616 4.019 -5.632 194 HG1 THR 25 1HG THR 25 -6.741 6.138 -5.256 195 1HG2 THR 25 1HG2 THR 25 -9.233 5.047 -3.379 196 2HG2 THR 25 2HG2 THR 25 -9.707 4.664 -5.034 197 3HG2 THR 25 3HG2 THR 25 -8.892 6.187 -4.680 198 H PHE 26 H PHE 26 -8.016 1.676 -1.847 199 HA PHE 26 HA PHE 26 -10.231 0.598 -3.463 200 1HB PHE 26 1HB PHE 26 -8.392 -1.014 -3.320 201 2HB PHE 26 2HB PHE 26 -8.417 -0.903 -1.563 202 HD1 PHE 26 1HD PHE 26 -10.226 -2.112 -4.523 203 HD2 PHE 26 2HD PHE 26 -10.047 -2.068 -0.271 204 HE1 PHE 26 1HE PHE 26 -11.873 -3.938 -4.439 205 HE2 PHE 26 2HE PHE 26 -11.692 -3.895 -0.180 206 HZ PHE 26 HZ PHE 26 -12.607 -4.833 -2.265 207 H GLU 27 H GLU 27 -9.236 -0.027 -0.119 208 HA GLU 27 HA GLU 27 -11.027 1.600 1.220 209 1HB GLU 27 1HB GLU 27 -12.355 -0.538 -0.122 210 2HB GLU 27 2HB GLU 27 -12.446 -0.838 1.608 211 1HG GLU 27 1HG GLU 27 -13.923 0.794 1.926 212 2HG GLU 27 2HG GLU 27 -13.029 1.923 0.909 213 H LEU 28 H LEU 28 -11.211 1.098 3.488 214 HA LEU 28 HA LEU 28 -9.932 -1.220 4.577 215 1HB LEU 28 1HB LEU 28 -8.269 0.924 3.908 216 2HB LEU 28 2HB LEU 28 -8.492 1.036 5.652 217 HG LEU 28 HG LEU 28 -7.847 -1.499 5.604 218 1HD1 LEU 28 1HD1 LEU 28 -7.265 -0.595 2.877 219 2HD1 LEU 28 2HD1 LEU 28 -7.507 -2.222 3.510 220 3HD1 LEU 28 3HD1 LEU 28 -5.937 -1.437 3.677 221 1HD2 LEU 28 1HD2 LEU 28 -6.094 0.911 5.436 222 2HD2 LEU 28 2HD2 LEU 28 -5.364 -0.692 5.522 223 3HD2 LEU 28 3HD2 LEU 28 -6.435 -0.140 6.811 224 H ASP 29 H ASP 29 -10.667 2.181 5.355 225 HA ASP 29 HA ASP 29 -12.375 1.241 7.542 226 1HB ASP 29 1HB ASP 29 -9.991 3.022 7.770 227 2HB ASP 29 2HB ASP 29 -11.387 3.364 8.788 228 H GLU 30 H GLU 30 -13.405 3.411 8.559 229 HA GLU 30 HA GLU 30 -14.420 4.957 6.263 230 1HB GLU 30 1HB GLU 30 -15.833 3.832 8.662 231 2HB GLU 30 2HB GLU 30 -16.490 5.222 7.808 232 1HG GLU 30 1HG GLU 30 -15.810 3.212 5.908 233 2HG GLU 30 2HG GLU 30 -16.781 2.489 7.189 234 H ARG 31 H ARG 31 -13.684 5.039 9.725 235 HA ARG 31 HA ARG 31 -14.041 7.881 9.923 236 1HB ARG 31 1HB ARG 31 -12.558 6.140 11.885 237 2HB ARG 31 2HB ARG 31 -13.399 7.654 12.195 238 1HG ARG 31 1HG ARG 31 -15.339 5.944 11.155 239 2HG ARG 31 2HG ARG 31 -14.391 4.956 12.269 240 1HD ARG 31 1HD ARG 31 -15.824 5.829 13.786 241 2HD ARG 31 2HD ARG 31 -14.665 7.158 13.765 242 HE ARG 31 HE ARG 31 -16.550 7.663 11.783 243 1HH1 ARG 31 2HH1 ARG 31 -16.423 7.371 15.249 244 2HH1 ARG 31 1HH1 ARG 31 -17.739 8.465 15.520 245 1HH2 ARG 31 2HH2 ARG 31 -18.283 9.106 12.126 246 2HH2 ARG 31 1HH2 ARG 31 -18.797 9.451 13.743 247 H VAL 32 H VAL 32 -11.478 5.770 9.031 248 HA VAL 32 HA VAL 32 -9.686 8.079 8.779 249 HB VAL 32 HB VAL 32 -7.762 6.615 9.454 250 1HG1 VAL 32 1HG1 VAL 32 -8.135 6.892 11.860 251 2HG1 VAL 32 2HG1 VAL 32 -8.656 8.313 10.953 252 3HG1 VAL 32 3HG1 VAL 32 -9.851 7.165 11.560 253 1HG2 VAL 32 1HG2 VAL 32 -8.950 4.464 9.169 254 2HG2 VAL 32 2HG2 VAL 32 -8.185 4.621 10.750 255 3HG2 VAL 32 3HG2 VAL 32 -9.927 4.846 10.587 256 H ASP 33 H ASP 33 -11.171 7.071 6.714 257 HA ASP 33 HA ASP 33 -9.727 5.096 5.223 258 1HB ASP 33 1HB ASP 33 -12.271 5.928 5.113 259 2HB ASP 33 2HB ASP 33 -11.601 6.940 3.837 260 H LYS 34 H LYS 34 -10.322 8.568 4.653 261 HA LYS 34 HA LYS 34 -8.404 8.783 2.582 262 1HB LYS 34 1HB LYS 34 -9.076 10.951 2.412 263 2HB LYS 34 2HB LYS 34 -10.417 10.355 3.382 264 1HG LYS 34 1HG LYS 34 -7.957 11.701 4.480 265 2HG LYS 34 2HG LYS 34 -9.512 12.489 4.202 266 1HD LYS 34 1HD LYS 34 -10.075 10.186 5.699 267 2HD LYS 34 2HD LYS 34 -8.642 10.902 6.439 268 1HE LYS 34 1HE LYS 34 -11.250 12.309 5.872 269 2HE LYS 34 2HE LYS 34 -10.678 11.778 7.453 270 1HZ LYS 34 1HZ LYS 34 -9.749 14.015 5.797 271 2HZ LYS 34 2HZ LYS 34 -8.646 13.261 6.835 272 3HZ LYS 34 3HZ LYS 34 -10.053 13.962 7.460 273 H VAL 35 H VAL 35 -8.119 8.666 5.978 274 HA VAL 35 HA VAL 35 -5.817 10.240 6.376 275 HB VAL 35 HB VAL 35 -6.606 7.778 7.935 276 1HG1 VAL 35 1HG1 VAL 35 -5.469 9.020 9.795 277 2HG1 VAL 35 2HG1 VAL 35 -4.397 8.462 8.509 278 3HG1 VAL 35 3HG1 VAL 35 -4.879 10.158 8.584 279 1HG2 VAL 35 1HG2 VAL 35 -7.465 10.644 8.324 280 2HG2 VAL 35 2HG2 VAL 35 -8.490 9.319 7.770 281 3HG2 VAL 35 3HG2 VAL 35 -7.834 9.301 9.407 282 H LEU 36 H LEU 36 -6.239 7.293 4.757 283 HA LEU 36 HA LEU 36 -3.338 6.784 4.850 284 1HB LEU 36 1HB LEU 36 -3.702 4.467 4.685 285 2HB LEU 36 2HB LEU 36 -4.807 5.045 5.931 286 HG LEU 36 HG LEU 36 -6.283 5.100 3.557 287 1HD1 LEU 36 1HD1 LEU 36 -4.195 3.441 3.023 288 2HD1 LEU 36 2HD1 LEU 36 -5.793 3.321 2.288 289 3HD1 LEU 36 3HD1 LEU 36 -5.384 2.315 3.678 290 1HD2 LEU 36 1HD2 LEU 36 -6.294 2.925 5.639 291 2HD2 LEU 36 2HD2 LEU 36 -7.642 3.485 4.650 292 3HD2 LEU 36 3HD2 LEU 36 -6.974 4.531 5.905 293 H ASN 37 H ASN 37 -5.758 7.942 2.976 294 HA ASN 37 HA ASN 37 -4.521 6.961 0.488 295 1HB ASN 37 1HB ASN 37 -6.569 6.586 -0.333 296 2HB ASN 37 2HB ASN 37 -7.224 6.957 1.259 297 1HD2 ASN 37 1HD2 ASN 37 -7.372 7.721 -1.929 298 2HD2 ASN 37 2HD2 ASN 37 -8.057 9.303 -1.816 299 H GLU 38 H GLU 38 -5.041 9.656 2.480 300 HA GLU 38 HA GLU 38 -4.311 11.487 0.290 301 1HB GLU 38 1HB GLU 38 -6.371 12.264 1.072 302 2HB GLU 38 2HB GLU 38 -5.991 11.879 2.744 303 1HG GLU 38 1HG GLU 38 -5.000 13.851 3.109 304 2HG GLU 38 2HG GLU 38 -4.226 13.872 1.525 305 H LYS 39 H LYS 39 -3.575 10.378 3.515 306 HA LYS 39 HA LYS 39 -1.467 12.335 3.890 307 1HB LYS 39 1HB LYS 39 -2.157 9.938 5.598 308 2HB LYS 39 2HB LYS 39 -1.135 11.294 6.054 309 1HG LYS 39 1HG LYS 39 -3.541 12.461 5.307 310 2HG LYS 39 2HG LYS 39 -4.002 11.012 6.204 311 1HD LYS 39 1HD LYS 39 -2.667 11.698 8.090 312 2HD LYS 39 2HD LYS 39 -2.029 13.073 7.186 313 1HE LYS 39 1HE LYS 39 -4.592 13.656 6.948 314 2HE LYS 39 2HE LYS 39 -4.715 12.673 8.406 315 1HZ LYS 39 1HZ LYS 39 -3.924 15.336 8.198 316 2HZ LYS 39 2HZ LYS 39 -2.564 14.457 8.686 317 3HZ LYS 39 3HZ LYS 39 -3.992 14.378 9.591 318 H CYS 40 H CYS 40 -1.822 9.257 2.495 319 HA CYS 40 HA CYS 40 0.839 9.123 1.618 320 1HB CYS 40 1HB CYS 40 1.467 7.010 2.904 321 2HB CYS 40 2HB CYS 40 1.544 8.526 3.793 322 HG CYS 40 HG CYS 40 -0.268 5.817 4.395 323 H SER 41 H SER 41 -0.404 8.780 -0.281 324 HA SER 41 HA SER 41 -1.578 6.086 -0.497 325 1HB SER 41 1HB SER 41 -2.632 7.218 -2.637 326 2HB SER 41 2HB SER 41 -3.347 7.472 -1.045 327 HG SER 41 HG SER 41 -2.679 9.495 -1.047 328 H VAL 42 H VAL 42 0.993 8.054 -1.449 329 HA VAL 42 HA VAL 42 1.479 6.666 -3.961 330 HB VAL 42 HB VAL 42 3.066 8.816 -2.552 331 1HG1 VAL 42 1HG1 VAL 42 3.496 7.450 -5.200 332 2HG1 VAL 42 2HG1 VAL 42 4.242 8.990 -4.769 333 3HG1 VAL 42 3HG1 VAL 42 4.607 7.539 -3.834 334 1HG2 VAL 42 1HG2 VAL 42 1.409 10.092 -3.365 335 2HG2 VAL 42 2HG2 VAL 42 2.204 9.854 -4.921 336 3HG2 VAL 42 3HG2 VAL 42 0.843 8.831 -4.460 337 H TYR 43 H TYR 43 2.964 5.100 -4.278 338 HA TYR 43 HA TYR 43 4.882 4.485 -2.159 339 1HB TYR 43 1HB TYR 43 3.053 2.384 -3.337 340 2HB TYR 43 2HB TYR 43 4.286 2.134 -2.106 341 HD1 TYR 43 1HD TYR 43 3.812 2.491 0.182 342 HD2 TYR 43 2HD TYR 43 1.031 3.771 -2.774 343 HE1 TYR 43 1HE TYR 43 2.149 2.923 1.942 344 HE2 TYR 43 2HE TYR 43 -0.639 4.207 -1.022 345 HH TYR 43 HH TYR 43 0.070 4.479 2.168 346 H THR 44 H THR 44 6.631 3.128 -2.850 347 HA THR 44 HA THR 44 7.022 3.188 -5.770 348 HB THR 44 HB THR 44 9.419 2.875 -4.090 349 HG1 THR 44 1HG THR 44 9.396 5.169 -3.596 350 1HG2 THR 44 1HG2 THR 44 9.999 4.890 -5.693 351 2HG2 THR 44 2HG2 THR 44 8.580 4.309 -6.564 352 3HG2 THR 44 3HG2 THR 44 9.951 3.233 -6.295 353 H VAL 45 H VAL 45 7.858 1.400 -6.814 354 HA VAL 45 HA VAL 45 8.253 -1.026 -5.199 355 HB VAL 45 HB VAL 45 6.061 -1.329 -6.042 356 1HG1 VAL 45 1HG1 VAL 45 7.021 0.258 -8.231 357 2HG1 VAL 45 2HG1 VAL 45 6.249 -1.207 -8.839 358 3HG1 VAL 45 3HG1 VAL 45 5.362 -0.120 -7.769 359 1HG2 VAL 45 1HG2 VAL 45 6.268 -3.304 -7.299 360 2HG2 VAL 45 2HG2 VAL 45 7.749 -2.751 -8.082 361 3HG2 VAL 45 3HG2 VAL 45 7.766 -3.195 -6.375 362 H GLU 46 H GLU 46 10.250 -1.728 -5.531 363 HA GLU 46 HA GLU 46 11.880 -0.890 -7.682 364 1HB GLU 46 1HB GLU 46 12.330 -2.059 -5.246 365 2HB GLU 46 2HB GLU 46 12.679 -3.383 -6.349 366 1HG GLU 46 1HG GLU 46 14.488 -2.334 -7.265 367 2HG GLU 46 2HG GLU 46 13.872 -0.721 -6.910 368 H SER 47 H SER 47 12.709 -2.065 -9.440 369 HA SER 47 HA SER 47 10.879 -3.554 -10.907 370 1HB SER 47 1HB SER 47 13.207 -2.378 -11.524 371 2HB SER 47 2HB SER 47 13.769 -4.046 -11.419 372 HG SER 47 HG SER 47 12.795 -4.458 -13.231 373 H GLY 48 H GLY 48 13.112 -4.556 -8.458 374 1HA GLY 48 2HA GLY 48 12.552 -7.385 -9.088 375 2HA GLY 48 1HA GLY 48 13.947 -6.818 -8.182 376 H THR 49 H THR 49 10.403 -6.967 -8.053 377 HA THR 49 HA THR 49 10.604 -7.589 -5.199 378 HB THR 49 HB THR 49 8.422 -5.732 -6.052 379 HG1 THR 49 1HG THR 49 10.903 -4.736 -5.113 380 1HG2 THR 49 1HG2 THR 49 8.072 -6.355 -3.870 381 2HG2 THR 49 2HG2 THR 49 9.080 -4.929 -3.623 382 3HG2 THR 49 3HG2 THR 49 9.792 -6.540 -3.532 383 H GLU 50 H GLU 50 8.497 -8.401 -4.322 384 HA GLU 50 HA GLU 50 7.092 -9.953 -6.394 385 1HB GLU 50 1HB GLU 50 8.131 -10.647 -3.725 386 2HB GLU 50 2HB GLU 50 6.519 -11.255 -4.070 387 1HG GLU 50 1HG GLU 50 8.237 -11.718 -6.316 388 2HG GLU 50 2HG GLU 50 8.973 -12.353 -4.845 389 H VAL 51 H VAL 51 4.832 -10.306 -6.146 390 HA VAL 51 HA VAL 51 3.368 -8.026 -5.415 391 HB VAL 51 HB VAL 51 2.214 -10.799 -5.675 392 1HG1 VAL 51 1HG1 VAL 51 0.518 -9.378 -4.967 393 2HG1 VAL 51 2HG1 VAL 51 1.134 -8.015 -5.903 394 3HG1 VAL 51 3HG1 VAL 51 0.342 -9.362 -6.721 395 1HG2 VAL 51 1HG2 VAL 51 1.889 -9.720 -8.131 396 2HG2 VAL 51 2HG2 VAL 51 3.464 -9.058 -7.695 397 3HG2 VAL 51 3HG2 VAL 51 3.212 -10.803 -7.698 398 H THR 52 H THR 52 4.535 -10.629 -3.540 399 HA THR 52 HA THR 52 2.572 -10.271 -1.419 400 HB THR 52 HB THR 52 3.246 -12.547 -1.818 401 HG1 THR 52 1HG THR 52 3.172 -11.534 0.467 402 1HG2 THR 52 1HG2 THR 52 5.650 -13.204 -1.337 403 2HG2 THR 52 2HG2 THR 52 6.043 -11.489 -1.455 404 3HG2 THR 52 3HG2 THR 52 5.370 -12.338 -2.847 405 H GLU 53 H GLU 53 5.738 -9.211 -2.279 406 HA GLU 53 HA GLU 53 6.748 -8.610 0.284 407 1HB GLU 53 1HB GLU 53 7.703 -8.458 -2.298 408 2HB GLU 53 2HB GLU 53 7.575 -6.767 -1.834 409 1HG GLU 53 1HG GLU 53 9.547 -6.985 -0.856 410 2HG GLU 53 2HG GLU 53 8.754 -7.989 0.356 411 H PHE 54 H PHE 54 4.598 -6.902 -1.882 412 HA PHE 54 HA PHE 54 4.709 -4.421 -0.442 413 1HB PHE 54 1HB PHE 54 2.465 -5.187 -2.285 414 2HB PHE 54 2HB PHE 54 3.179 -3.601 -2.009 415 HD1 PHE 54 1HD PHE 54 5.819 -3.574 -2.592 416 HD2 PHE 54 2HD PHE 54 2.896 -6.146 -4.312 417 HE1 PHE 54 1HE PHE 54 7.252 -3.874 -4.570 418 HE2 PHE 54 2HE PHE 54 4.324 -6.451 -6.292 419 HZ PHE 54 HZ PHE 54 6.506 -5.315 -6.423 420 H ALA 55 H ALA 55 3.023 -7.378 -0.093 421 HA ALA 55 HA ALA 55 0.728 -6.368 1.277 422 1HB ALA 55 1HB ALA 55 0.668 -8.865 2.062 423 2HB ALA 55 2HB ALA 55 0.314 -8.444 0.386 424 3HB ALA 55 3HB ALA 55 1.905 -9.069 0.821 425 H CYS 56 H CYS 56 3.979 -6.905 2.162 426 HA CYS 56 HA CYS 56 3.276 -6.835 5.021 427 1HB CYS 56 1HB CYS 56 5.114 -8.453 3.580 428 2HB CYS 56 2HB CYS 56 6.053 -7.388 4.619 429 HG CYS 56 HG CYS 56 5.524 -8.538 6.879 430 H VAL 57 H VAL 57 3.674 -4.654 2.870 431 HA VAL 57 HA VAL 57 5.585 -3.035 4.426 432 HB VAL 57 HB VAL 57 4.973 -2.837 1.473 433 1HG1 VAL 57 1HG1 VAL 57 6.864 -1.170 1.522 434 2HG1 VAL 57 2HG1 VAL 57 5.357 -0.635 2.267 435 3HG1 VAL 57 3HG1 VAL 57 6.704 -1.161 3.278 436 1HG2 VAL 57 1HG2 VAL 57 6.794 -4.071 1.062 437 2HG2 VAL 57 2HG2 VAL 57 7.736 -3.264 2.315 438 3HG2 VAL 57 3HG2 VAL 57 6.658 -4.593 2.741 439 H VAL 58 H VAL 58 2.494 -3.167 2.789 440 HA VAL 58 HA VAL 58 1.866 -0.411 3.486 441 HB VAL 58 HB VAL 58 0.040 -2.435 2.193 442 1HG1 VAL 58 1HG1 VAL 58 -0.011 0.542 2.540 443 2HG1 VAL 58 2HG1 VAL 58 -0.908 -0.242 1.239 444 3HG1 VAL 58 3HG1 VAL 58 -1.261 -0.642 2.921 445 1HG2 VAL 58 1HG2 VAL 58 2.346 -0.995 1.114 446 2HG2 VAL 58 2HG2 VAL 58 1.493 -2.404 0.485 447 3HG2 VAL 58 3HG2 VAL 58 0.865 -0.785 0.180 448 H ALA 59 H ALA 59 1.437 -3.571 4.738 449 HA ALA 59 HA ALA 59 -0.934 -3.081 6.252 450 1HB ALA 59 1HB ALA 59 1.068 -5.161 7.020 451 2HB ALA 59 2HB ALA 59 -0.694 -5.222 7.078 452 3HB ALA 59 3HB ALA 59 0.142 -5.336 5.529 453 H GLU 60 H GLU 60 2.438 -2.457 6.722 454 HA GLU 60 HA GLU 60 2.115 -1.995 9.580 455 1HB GLU 60 1HB GLU 60 4.533 -1.531 9.558 456 2HB GLU 60 2HB GLU 60 4.157 -3.093 8.845 457 1HG GLU 60 1HG GLU 60 4.331 -2.059 6.603 458 2HG GLU 60 2HG GLU 60 4.839 -0.558 7.376 459 H ALA 61 H ALA 61 2.790 -0.183 6.619 460 HA ALA 61 HA ALA 61 3.206 2.333 7.780 461 1HB ALA 61 1HB ALA 61 2.618 3.233 5.545 462 2HB ALA 61 2HB ALA 61 3.804 1.928 5.487 463 3HB ALA 61 3HB ALA 61 2.122 1.611 5.062 464 H VAL 62 H VAL 62 0.236 0.775 6.627 465 HA VAL 62 HA VAL 62 -1.514 2.921 6.988 466 HB VAL 62 HB VAL 62 -3.305 1.200 7.190 467 1HG1 VAL 62 1HG1 VAL 62 -1.337 1.356 4.998 468 2HG1 VAL 62 2HG1 VAL 62 -2.460 -0.004 4.940 469 3HG1 VAL 62 3HG1 VAL 62 -3.076 1.648 4.987 470 1HG2 VAL 62 1HG2 VAL 62 -0.932 -0.641 7.269 471 2HG2 VAL 62 2HG2 VAL 62 -2.290 -0.552 8.390 472 3HG2 VAL 62 3HG2 VAL 62 -2.530 -1.187 6.762 473 H VAL 63 H VAL 63 -0.378 0.471 9.260 474 HA VAL 63 HA VAL 63 -2.113 1.070 11.386 475 HB VAL 63 HB VAL 63 0.699 -0.031 11.463 476 1HG1 VAL 63 1HG1 VAL 63 -0.779 -0.922 13.676 477 2HG1 VAL 63 2HG1 VAL 63 0.606 0.172 13.674 478 3HG1 VAL 63 3HG1 VAL 63 -1.032 0.821 13.588 479 1HG2 VAL 63 1HG2 VAL 63 -1.765 -1.649 11.905 480 2HG2 VAL 63 2HG2 VAL 63 -1.303 -1.228 10.256 481 3HG2 VAL 63 3HG2 VAL 63 -0.192 -2.140 11.277 482 H LYS 64 H LYS 64 1.341 1.940 11.166 483 HA LYS 64 HA LYS 64 1.421 3.743 13.245 484 1HB LYS 64 1HB LYS 64 3.342 4.802 11.988 485 2HB LYS 64 2HB LYS 64 3.469 3.068 12.249 486 1HG LYS 64 1HG LYS 64 2.526 2.782 9.920 487 2HG LYS 64 2HG LYS 64 2.784 4.515 9.709 488 1HD LYS 64 1HD LYS 64 4.795 3.824 8.935 489 2HD LYS 64 2HD LYS 64 5.198 3.808 10.653 490 1HE LYS 64 1HE LYS 64 4.165 1.351 10.429 491 2HE LYS 64 2HE LYS 64 4.745 1.561 8.777 492 1HZ LYS 64 1HZ LYS 64 6.274 1.440 11.282 493 2HZ LYS 64 2HZ LYS 64 6.897 2.332 9.987 494 3HZ LYS 64 3HZ LYS 64 6.578 0.681 9.800 495 H THR 65 H THR 65 0.180 4.183 10.017 496 HA THR 65 HA THR 65 0.012 7.045 10.182 497 HB THR 65 HB THR 65 -1.353 5.146 8.264 498 HG1 THR 65 1HG THR 65 1.161 6.416 8.300 499 1HG2 THR 65 1HG2 THR 65 -0.855 7.769 7.222 500 2HG2 THR 65 2HG2 THR 65 -1.784 7.894 8.716 501 3HG2 THR 65 3HG2 THR 65 -2.386 6.911 7.382 502 H LEU 66 H LEU 66 -2.156 4.333 10.752 503 HA LEU 66 HA LEU 66 -4.274 6.216 11.538 504 1HB LEU 66 1HB LEU 66 -4.496 3.261 10.987 505 2HB LEU 66 2HB LEU 66 -5.826 4.376 11.298 506 HG LEU 66 HG LEU 66 -4.136 4.099 8.836 507 1HD1 LEU 66 1HD1 LEU 66 -6.657 3.192 9.580 508 2HD1 LEU 66 2HD1 LEU 66 -5.974 3.219 7.955 509 3HD1 LEU 66 3HD1 LEU 66 -6.965 4.565 8.517 510 1HD2 LEU 66 1HD2 LEU 66 -5.318 6.159 8.016 511 2HD2 LEU 66 2HD2 LEU 66 -4.070 6.442 9.230 512 3HD2 LEU 66 3HD2 LEU 66 -5.773 6.478 9.690 513 H GLN 67 H GLN 67 -2.593 6.346 13.443 514 HA GLN 67 HA GLN 67 -3.543 4.483 15.515 515 1HB GLN 67 1HB GLN 67 -0.756 5.428 14.937 516 2HB GLN 67 2HB GLN 67 -1.214 4.985 16.576 517 1HG GLN 67 1HG GLN 67 -2.038 2.976 14.675 518 2HG GLN 67 2HG GLN 67 -0.307 3.294 14.575 519 1HE2 GLN 67 1HE2 GLN 67 0.947 2.246 15.941 520 2HE2 GLN 67 2HE2 GLN 67 0.442 1.488 17.408 521 HA PRO 68 HA PRO 68 -3.819 9.161 16.538 522 1HB PRO 68 1HB PRO 68 -6.427 9.604 15.929 523 2HB PRO 68 2HB PRO 68 -5.114 9.858 14.773 524 1HG PRO 68 1HG PRO 68 -6.973 7.527 15.047 525 2HG PRO 68 2HG PRO 68 -6.422 8.352 13.577 526 1HD PRO 68 1HD PRO 68 -5.358 6.009 14.418 527 2HD PRO 68 2HD PRO 68 -4.407 7.233 13.553 528 H VAL 69 H VAL 69 -6.543 6.861 16.771 529 HA VAL 69 HA VAL 69 -6.362 6.862 19.655 530 HB VAL 69 HB VAL 69 -8.858 7.425 19.841 531 1HG1 VAL 69 1HG1 VAL 69 -7.209 9.796 19.049 532 2HG1 VAL 69 2HG1 VAL 69 -8.371 9.635 20.367 533 3HG1 VAL 69 3HG1 VAL 69 -6.796 8.846 20.476 534 1HG2 VAL 69 1HG2 VAL 69 -8.261 8.671 17.159 535 2HG2 VAL 69 2HG2 VAL 69 -9.403 7.366 17.478 536 3HG2 VAL 69 3HG2 VAL 69 -9.704 8.978 18.126 537 H SER 70 H SER 70 -5.873 4.641 18.899 538 HA SER 70 HA SER 70 -7.755 2.996 17.634 539 1HB SER 70 1HB SER 70 -6.454 1.138 18.918 540 2HB SER 70 2HB SER 70 -5.599 2.101 17.714 541 HG SER 70 HG SER 70 -5.099 1.857 20.336 542 H ASP 71 H ASP 71 -7.690 4.287 20.793 543 HA ASP 71 HA ASP 71 -9.030 2.341 22.273 544 1HB ASP 71 1HB ASP 71 -9.531 4.052 23.842 545 2HB ASP 71 2HB ASP 71 -7.988 4.499 23.120 546 H LEU 72 H LEU 72 -10.146 4.314 19.709 547 HA LEU 72 HA LEU 72 -12.953 3.978 20.423 548 1HB LEU 72 1HB LEU 72 -11.523 5.471 18.247 549 2HB LEU 72 2HB LEU 72 -13.269 5.234 18.215 550 HG LEU 72 HG LEU 72 -11.808 6.611 20.463 551 1HD1 LEU 72 1HD1 LEU 72 -12.861 7.636 17.875 552 2HD1 LEU 72 2HD1 LEU 72 -11.432 8.122 18.787 553 3HD1 LEU 72 3HD1 LEU 72 -13.033 8.633 19.320 554 1HD2 LEU 72 1HD2 LEU 72 -14.595 5.868 19.910 555 2HD2 LEU 72 2HD2 LEU 72 -14.358 7.533 20.442 556 3HD2 LEU 72 3HD2 LEU 72 -13.787 6.197 21.443 557 H LEU 73 H LEU 73 -10.862 3.267 17.621 558 HA LEU 73 HA LEU 73 -12.643 1.753 16.149 559 1HB LEU 73 1HB LEU 73 -9.673 1.310 16.419 560 2HB LEU 73 2HB LEU 73 -10.692 0.714 15.110 561 HG LEU 73 HG LEU 73 -9.978 2.523 14.006 562 1HD1 LEU 73 1HD1 LEU 73 -12.361 3.046 14.721 563 2HD1 LEU 73 2HD1 LEU 73 -11.381 4.398 14.157 564 3HD1 LEU 73 3HD1 LEU 73 -11.650 4.165 15.884 565 1HD2 LEU 73 1HD2 LEU 73 -8.240 2.922 15.711 566 2HD2 LEU 73 2HD2 LEU 73 -9.385 3.906 16.621 567 3HD2 LEU 73 3HD2 LEU 73 -8.865 4.417 15.014 568 H THR 74 H THR 74 -10.538 0.747 18.801 569 HA THR 74 HA THR 74 -11.151 -2.026 18.604 570 HB THR 74 HB THR 74 -10.255 -0.699 21.150 571 HG1 THR 74 1HG THR 74 -8.529 -0.032 20.140 572 1HG2 THR 74 1HG2 THR 74 -9.836 -3.389 19.861 573 2HG2 THR 74 2HG2 THR 74 -10.613 -3.026 21.402 574 3HG2 THR 74 3HG2 THR 74 -8.870 -2.827 21.225 575 H ASN 75 H ASN 75 -12.710 0.691 20.074 576 HA ASN 75 HA ASN 75 -14.300 -0.808 21.925 577 1HB ASN 75 1HB ASN 75 -14.042 2.006 21.094 578 2HB ASN 75 2HB ASN 75 -15.666 1.532 21.584 579 1HD2 ASN 75 1HD2 ASN 75 -13.899 3.362 22.905 580 2HD2 ASN 75 2HD2 ASN 75 -13.602 2.726 24.483 581 H MET 76 H MET 76 -14.605 0.189 18.600 582 HA MET 76 HA MET 76 -17.413 -0.561 18.482 583 1HB MET 76 1HB MET 76 -15.634 0.246 16.182 584 2HB MET 76 2HB MET 76 -17.392 0.269 16.241 585 1HG MET 76 1HG MET 76 -17.290 2.035 17.947 586 2HG MET 76 2HG MET 76 -15.533 2.034 17.817 587 1HE MET 76 1HE MET 76 -14.404 2.296 15.224 588 2HE MET 76 2HE MET 76 -14.723 3.953 14.711 589 3HE MET 76 3HE MET 76 -14.299 3.616 16.390 590 H GLY 77 H GLY 77 -14.274 -1.828 17.629 591 1HA GLY 77 2HA GLY 77 -14.576 -4.422 17.656 592 2HA GLY 77 1HA GLY 77 -15.504 -4.079 16.204 593 H ILE 78 H ILE 78 -13.818 -1.950 15.264 594 HA ILE 78 HA ILE 78 -11.971 -3.440 13.755 595 HB ILE 78 HB ILE 78 -12.145 -0.464 14.224 596 1HG1 ILE 78 1HG1 ILE 78 -12.989 -2.162 11.866 597 2HG1 ILE 78 2HG1 ILE 78 -14.082 -1.531 13.094 598 1HG2 ILE 78 1HG2 ILE 78 -10.764 -0.337 12.118 599 2HG2 ILE 78 2HG2 ILE 78 -9.910 -0.876 13.563 600 3HG2 ILE 78 3HG2 ILE 78 -10.412 -2.050 12.346 601 1HD1 ILE 78 1HD1 ILE 78 -13.343 0.765 12.434 602 2HD1 ILE 78 2HD1 ILE 78 -12.487 0.025 11.082 603 3HD1 ILE 78 3HD1 ILE 78 -14.240 -0.120 11.201 604 H ASP 79 H ASP 79 -10.267 -4.437 14.616 605 HA ASP 79 HA ASP 79 -8.860 -3.313 16.887 606 1HB ASP 79 1HB ASP 79 -9.283 -5.910 15.886 607 2HB ASP 79 2HB ASP 79 -7.554 -5.611 15.732 608 H LEU 80 H LEU 80 -6.979 -2.243 16.833 609 HA LEU 80 HA LEU 80 -5.828 -1.638 14.228 610 1HB LEU 80 1HB LEU 80 -6.370 0.025 16.163 611 2HB LEU 80 2HB LEU 80 -4.823 -0.518 16.810 612 HG LEU 80 HG LEU 80 -4.738 1.615 15.508 613 1HD1 LEU 80 1HD1 LEU 80 -2.977 -0.543 15.550 614 2HD1 LEU 80 2HD1 LEU 80 -2.601 1.134 15.153 615 3HD1 LEU 80 3HD1 LEU 80 -3.008 -0.005 13.870 616 1HD2 LEU 80 1HD2 LEU 80 -5.135 -0.152 13.103 617 2HD2 LEU 80 2HD2 LEU 80 -4.950 1.602 13.141 618 3HD2 LEU 80 3HD2 LEU 80 -6.409 0.854 13.794 619 H ASP 81 H ASP 81 -5.065 -3.358 17.164 620 HA ASP 81 HA ASP 81 -2.276 -3.668 16.622 621 1HB ASP 81 1HB ASP 81 -4.144 -4.448 18.700 622 2HB ASP 81 2HB ASP 81 -3.047 -5.766 18.299 623 H GLU 82 H GLU 82 -5.097 -5.133 15.415 624 HA GLU 82 HA GLU 82 -3.839 -7.647 14.721 625 1HB GLU 82 1HB GLU 82 -5.928 -8.370 14.040 626 2HB GLU 82 2HB GLU 82 -6.349 -7.199 15.282 627 1HG GLU 82 1HG GLU 82 -6.550 -5.512 13.382 628 2HG GLU 82 2HG GLU 82 -6.524 -6.908 12.306 629 H TRP 83 H TRP 83 -4.555 -4.579 13.225 630 HA TRP 83 HA TRP 83 -4.411 -5.157 10.541 631 1HB TRP 83 1HB TRP 83 -3.525 -2.778 12.144 632 2HB TRP 83 2HB TRP 83 -3.240 -2.831 10.406 633 HD1 TRP 83 HD TRP 83 -6.459 -4.333 11.775 634 HE1 TRP 83 1HE TRP 83 -8.443 -2.869 11.035 635 HE3 TRP 83 3HE TRP 83 -3.868 -0.396 9.797 636 HZ2 TRP 83 2HZ TRP 83 -8.854 -0.376 9.778 637 HZ3 TRP 83 3HZ TRP 83 -5.131 1.489 8.845 638 HH2 TRP 83 HH TRP 83 -7.573 1.496 8.836 639 H SER 84 H SER 84 -1.678 -4.432 12.707 640 HA SER 84 HA SER 84 0.355 -4.728 10.810 641 1HB SER 84 1HB SER 84 0.185 -4.259 13.595 642 2HB SER 84 2HB SER 84 1.264 -5.638 13.380 643 HG SER 84 HG SER 84 2.572 -3.922 13.147 644 H VAL 85 H VAL 85 -1.135 -7.098 12.979 645 HA VAL 85 HA VAL 85 0.437 -9.237 11.746 646 HB VAL 85 HB VAL 85 0.127 -9.045 14.273 647 1HG1 VAL 85 1HG1 VAL 85 -2.472 -8.748 13.767 648 2HG1 VAL 85 2HG1 VAL 85 -2.436 -10.501 13.976 649 3HG1 VAL 85 3HG1 VAL 85 -1.873 -9.445 15.272 650 1HG2 VAL 85 1HG2 VAL 85 1.074 -11.037 13.653 651 2HG2 VAL 85 2HG2 VAL 85 -0.429 -11.617 14.370 652 3HG2 VAL 85 3HG2 VAL 85 -0.281 -11.487 12.618 653 H ALA 86 H ALA 86 -1.586 -7.928 10.191 654 HA ALA 86 HA ALA 86 -3.525 -10.128 9.876 655 1HB ALA 86 1HB ALA 86 -3.860 -7.204 9.823 656 2HB ALA 86 2HB ALA 86 -4.718 -8.095 8.564 657 3HB ALA 86 3HB ALA 86 -5.003 -8.473 10.263 658 H THR 87 H THR 87 -4.299 -10.442 7.630 659 HA THR 87 HA THR 87 -2.031 -10.407 5.810 660 HB THR 87 HB THR 87 -3.464 -12.460 6.157 661 HG1 THR 87 1HG THR 87 -3.319 -11.472 3.485 662 1HG2 THR 87 1HG2 THR 87 -5.594 -12.619 5.102 663 2HG2 THR 87 2HG2 THR 87 -5.416 -11.029 4.360 664 3HG2 THR 87 3HG2 THR 87 -5.629 -11.169 6.104 665 H PHE 88 H PHE 88 -1.917 -9.295 3.918 666 HA PHE 88 HA PHE 88 -4.214 -7.609 3.189 667 1HB PHE 88 1HB PHE 88 -1.365 -6.816 3.646 668 2HB PHE 88 2HB PHE 88 -2.309 -5.955 2.435 669 HD1 PHE 88 1HD PHE 88 -2.703 -7.148 5.952 670 HD2 PHE 88 2HD PHE 88 -3.352 -4.037 3.120 671 HE1 PHE 88 1HE PHE 88 -3.682 -5.746 7.721 672 HE2 PHE 88 2HE PHE 88 -4.331 -2.630 4.885 673 HZ PHE 88 HZ PHE 88 -4.496 -3.484 7.189 674 H TYR 89 H TYR 89 -4.855 -7.964 1.177 675 HA TYR 89 HA TYR 89 -2.975 -9.208 -0.705 676 1HB TYR 89 1HB TYR 89 -5.997 -9.077 -0.762 677 2HB TYR 89 2HB TYR 89 -4.996 -9.870 -1.973 678 HD1 TYR 89 1HD TYR 89 -3.815 -11.951 -1.441 679 HD2 TYR 89 2HD TYR 89 -6.382 -10.086 1.393 680 HE1 TYR 89 1HE TYR 89 -3.857 -14.027 -0.122 681 HE2 TYR 89 2HE TYR 89 -6.430 -12.156 2.721 682 HH TYR 89 HH TYR 89 -5.882 -14.328 2.764 683 H LEU 90 H LEU 90 -3.468 -8.622 -3.069 684 HA LEU 90 HA LEU 90 -4.199 -5.810 -3.392 685 1HB LEU 90 1HB LEU 90 -1.640 -6.956 -4.493 686 2HB LEU 90 2HB LEU 90 -2.211 -5.296 -4.649 687 HG LEU 90 HG LEU 90 -2.052 -5.815 -1.890 688 1HD1 LEU 90 1HD1 LEU 90 0.131 -7.094 -3.456 689 2HD1 LEU 90 2HD1 LEU 90 -0.611 -7.591 -1.935 690 3HD1 LEU 90 3HD1 LEU 90 0.538 -6.253 -1.960 691 1HD2 LEU 90 1HD2 LEU 90 -1.471 -3.799 -3.568 692 2HD2 LEU 90 2HD2 LEU 90 0.159 -4.374 -3.212 693 3HD2 LEU 90 3HD2 LEU 90 -0.906 -3.869 -1.899 694 H PHE 91 H PHE 91 -4.671 -5.210 -5.584 695 HA PHE 91 HA PHE 91 -4.773 -7.274 -7.604 696 1HB PHE 91 1HB PHE 91 -7.169 -6.418 -6.083 697 2HB PHE 91 2HB PHE 91 -7.358 -6.542 -7.829 698 HD1 PHE 91 1HD PHE 91 -6.977 -8.709 -8.959 699 HD2 PHE 91 2HD PHE 91 -6.992 -8.344 -4.718 700 HE1 PHE 91 1HE PHE 91 -7.276 -11.142 -8.754 701 HE2 PHE 91 2HE PHE 91 -7.290 -10.777 -4.506 702 HZ PHE 91 HZ PHE 91 -7.432 -12.180 -6.526 703 H ASP 92 H ASP 92 -6.234 -6.266 -9.522 704 HA ASP 92 HA ASP 92 -5.603 -3.414 -9.781 705 1HB ASP 92 1HB ASP 92 -4.647 -3.729 -11.990 706 2HB ASP 92 2HB ASP 92 -3.760 -4.704 -10.823 707 H ASP 93 H ASP 93 -6.400 -2.988 -12.349 708 HA ASP 93 HA ASP 93 -9.272 -3.354 -12.117 709 1HB ASP 93 1HB ASP 93 -9.446 -1.718 -13.899 710 2HB ASP 93 2HB ASP 93 -8.315 -1.134 -12.681 711 H ALA 94 H ALA 94 -6.901 -5.216 -13.286 712 HA ALA 94 HA ALA 94 -8.352 -6.061 -15.695 713 1HB ALA 94 1HB ALA 94 -5.615 -5.769 -15.138 714 2HB ALA 94 2HB ALA 94 -5.909 -7.502 -15.291 715 3HB ALA 94 3HB ALA 94 -6.358 -6.412 -16.602 716 H GLY 95 H GLY 95 -8.099 -6.817 -12.456 717 1HA GLY 95 2HA GLY 95 -9.211 -8.530 -11.334 718 2HA GLY 95 1HA GLY 95 -9.453 -9.347 -12.871 719 H GLU 96 H GLU 96 -6.336 -8.233 -11.700 720 HA GLU 96 HA GLU 96 -5.581 -10.958 -10.965 721 1HB GLU 96 1HB GLU 96 -3.570 -10.892 -12.360 722 2HB GLU 96 2HB GLU 96 -5.024 -10.779 -13.340 723 1HG GLU 96 1HG GLU 96 -4.598 -8.203 -13.113 724 2HG GLU 96 2HG GLU 96 -2.948 -8.725 -12.782 725 H GLU 97 H GLU 97 -3.975 -11.082 -9.441 726 HA GLU 97 HA GLU 97 -3.383 -8.626 -8.033 727 1HB GLU 97 1HB GLU 97 -3.993 -10.558 -6.718 728 2HB GLU 97 2HB GLU 97 -2.706 -11.510 -7.445 729 1HG GLU 97 1HG GLU 97 -1.105 -10.608 -6.136 730 2HG GLU 97 2HG GLU 97 -1.885 -9.028 -6.079 731 H ASN 98 H ASN 98 -1.964 -7.503 -9.359 732 HA ASN 98 HA ASN 98 0.758 -8.594 -9.424 733 1HB ASN 98 1HB ASN 98 1.102 -7.774 -11.699 734 2HB ASN 98 2HB ASN 98 -0.230 -8.924 -11.662 735 1HD2 ASN 98 1HD2 ASN 98 -2.407 -7.748 -11.152 736 2HD2 ASN 98 2HD2 ASN 98 -2.719 -6.367 -12.142 737 H PHE 99 H PHE 99 2.066 -6.522 -10.612 738 HA PHE 99 HA PHE 99 1.555 -4.304 -8.745 739 1HB PHE 99 1HB PHE 99 4.049 -3.791 -9.296 740 2HB PHE 99 2HB PHE 99 3.668 -5.098 -8.179 741 HD1 PHE 99 1HD PHE 99 4.881 -4.256 -11.526 742 HD2 PHE 99 2HD PHE 99 4.044 -7.399 -8.780 743 HE1 PHE 99 1HE PHE 99 6.162 -5.819 -12.929 744 HE2 PHE 99 2HE PHE 99 5.324 -8.966 -10.179 745 HZ PHE 99 HZ PHE 99 6.386 -8.177 -12.256 746 H SER 100 H SER 100 -0.037 -3.922 -10.693 747 HA SER 100 HA SER 100 1.151 -2.705 -13.014 748 1HB SER 100 1HB SER 100 -1.483 -1.947 -13.071 749 2HB SER 100 2HB SER 100 -0.855 -3.452 -13.741 750 HG SER 100 HG SER 100 -2.372 -3.015 -11.473 751 H SER 101 H SER 101 -0.060 -0.475 -13.614 752 HA SER 101 HA SER 101 1.209 1.535 -12.256 753 1HB SER 101 1HB SER 101 -0.811 1.362 -14.289 754 2HB SER 101 2HB SER 101 -1.229 2.656 -13.167 755 HG SER 101 HG SER 101 1.415 2.476 -14.057 756 H ARG 102 H ARG 102 -2.149 0.461 -11.768 757 HA ARG 102 HA ARG 102 -2.056 1.709 -9.101 758 1HB ARG 102 1HB ARG 102 -3.532 2.996 -10.558 759 2HB ARG 102 2HB ARG 102 -4.420 1.537 -10.977 760 1HG ARG 102 1HG ARG 102 -5.803 2.433 -9.399 761 2HG ARG 102 2HG ARG 102 -4.794 1.397 -8.386 762 1HD ARG 102 1HD ARG 102 -5.005 3.542 -7.327 763 2HD ARG 102 2HD ARG 102 -3.351 3.358 -7.910 764 HE ARG 102 HE ARG 102 -4.557 4.657 -9.941 765 1HH1 ARG 102 2HH1 ARG 102 -4.423 5.232 -6.510 766 2HH1 ARG 102 1HH1 ARG 102 -4.557 6.953 -6.661 767 1HH2 ARG 102 2HH2 ARG 102 -4.734 6.921 -10.153 768 2HH2 ARG 102 1HH2 ARG 102 -4.735 7.912 -8.734 769 H MET 103 H MET 103 -2.246 0.290 -7.506 770 HA MET 103 HA MET 103 -3.615 -2.261 -8.052 771 1HB MET 103 1HB MET 103 -2.142 -3.341 -6.499 772 2HB MET 103 2HB MET 103 -1.154 -2.423 -7.628 773 1HG MET 103 1HG MET 103 -1.238 -0.574 -5.825 774 2HG MET 103 2HG MET 103 -1.726 -1.881 -4.749 775 1HE MET 103 1HE MET 103 1.158 -4.393 -5.130 776 2HE MET 103 2HE MET 103 -0.560 -4.232 -5.493 777 3HE MET 103 3HE MET 103 0.631 -4.092 -6.786 778 H TYR 104 H TYR 104 -5.320 -2.778 -6.830 779 HA TYR 104 HA TYR 104 -6.198 -0.901 -4.808 780 1HB TYR 104 1HB TYR 104 -7.499 -3.395 -5.920 781 2HB TYR 104 2HB TYR 104 -8.256 -2.299 -4.769 782 HD1 TYR 104 1HD TYR 104 -8.543 0.152 -5.496 783 HD2 TYR 104 2HD TYR 104 -7.699 -3.011 -8.214 784 HE1 TYR 104 1HE TYR 104 -9.382 1.531 -7.352 785 HE2 TYR 104 2HE TYR 104 -8.534 -1.640 -10.077 786 HH TYR 104 HH TYR 104 -10.436 0.761 -9.885 787 H CYS 105 H CYS 105 -6.378 -1.275 -2.646 788 HA CYS 105 HA CYS 105 -4.949 -3.614 -1.625 789 1HB CYS 105 1HB CYS 105 -4.112 -1.550 -0.759 790 2HB CYS 105 2HB CYS 105 -5.731 -0.987 -0.361 791 HG CYS 105 HG CYS 105 -4.372 -1.561 2.013 792 H SER 106 H SER 106 -6.335 -5.295 -1.499 793 HA SER 106 HA SER 106 -8.950 -4.859 -0.233 794 1HB SER 106 1HB SER 106 -8.944 -7.473 -1.111 795 2HB SER 106 2HB SER 106 -9.609 -6.101 -1.997 796 HG SER 106 HG SER 106 -8.200 -7.039 -3.381 797 H PHE 107 H PHE 107 -9.664 -6.214 1.453 798 HA PHE 107 HA PHE 107 -7.481 -7.235 3.105 799 1HB PHE 107 1HB PHE 107 -8.973 -7.078 4.960 800 2HB PHE 107 2HB PHE 107 -9.191 -5.610 4.014 801 HD1 PHE 107 1HD PHE 107 -11.243 -5.180 2.836 802 HD2 PHE 107 2HD PHE 107 -10.697 -8.785 5.031 803 HE1 PHE 107 1HE PHE 107 -13.660 -5.624 2.701 804 HE2 PHE 107 2HE PHE 107 -13.113 -9.235 4.900 805 HZ PHE 107 HZ PHE 107 -14.597 -7.654 3.733 806 H TYR 108 H TYR 108 -9.474 -8.446 0.823 807 HA TYR 108 HA TYR 108 -9.756 -11.051 2.167 808 1HB TYR 108 1HB TYR 108 -11.539 -11.556 0.606 809 2HB TYR 108 2HB TYR 108 -11.871 -10.012 1.384 810 HD1 TYR 108 1HD TYR 108 -11.358 -7.884 0.102 811 HD2 TYR 108 2HD TYR 108 -11.405 -11.721 -1.736 812 HE1 TYR 108 1HE TYR 108 -11.594 -6.819 -2.102 813 HE2 TYR 108 2HE TYR 108 -11.640 -10.666 -3.945 814 HH TYR 108 HH TYR 108 -10.922 -7.709 -4.658 815 HA PRO 109 HA PRO 109 -6.871 -12.908 -0.569 816 1HB PRO 109 1HB PRO 109 -7.928 -15.393 -0.849 817 2HB PRO 109 2HB PRO 109 -7.150 -14.842 0.639 818 1HG PRO 109 1HG PRO 109 -10.063 -14.996 -0.030 819 2HG PRO 109 2HG PRO 109 -9.235 -15.447 1.471 820 1HD PRO 109 1HD PRO 109 -10.568 -13.107 1.189 821 2HD PRO 109 2HD PRO 109 -9.128 -13.267 2.214 822 HA PRO 110 HA PRO 110 -8.170 -12.771 -4.768 823 1HB PRO 110 1HB PRO 110 -6.692 -14.735 -5.919 824 2HB PRO 110 2HB PRO 110 -5.995 -13.208 -5.366 825 1HG PRO 110 1HG PRO 110 -6.022 -15.878 -4.013 826 2HG PRO 110 2HG PRO 110 -4.697 -14.709 -4.154 827 1HD PRO 110 1HD PRO 110 -6.196 -14.948 -1.912 828 2HD PRO 110 2HD PRO 110 -5.500 -13.401 -2.434 829 H ASP 111 H ASP 111 -7.918 -16.156 -3.665 830 HA ASP 111 HA ASP 111 -10.611 -16.783 -4.047 831 1HB ASP 111 1HB ASP 111 -9.109 -16.713 -6.488 832 2HB ASP 111 2HB ASP 111 -9.582 -18.376 -6.153 833 H GLU 112 H GLU 112 -7.282 -17.886 -4.072 834 HA GLU 112 HA GLU 112 -7.584 -20.590 -3.625 835 1HB GLU 112 1HB GLU 112 -5.371 -20.602 -3.099 836 2HB GLU 112 2HB GLU 112 -5.458 -18.974 -3.757 837 1HG GLU 112 1HG GLU 112 -5.783 -18.119 -1.451 838 2HG GLU 112 2HG GLU 112 -5.522 -19.757 -0.854
Contact the webmaster for help, if required. Wednesday, May 8, 2024 2:48:54 AM GMT (wattos1)