NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
1928 | 1b64 | 4117 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 2HN MET 1 6.531 5.483 -4.412 2 2H MET 1 3HN MET 1 6.866 4.095 -5.249 3 3H MET 1 H MET 1 5.319 4.408 -4.750 4 HA MET 1 HA MET 1 5.666 3.268 -2.965 5 1HB MET 1 1HB MET 1 8.558 3.329 -3.905 6 2HB MET 1 2HB MET 1 7.988 2.395 -2.501 7 1HG MET 1 1HG MET 1 7.932 0.859 -4.290 8 2HG MET 1 2HG MET 1 6.250 1.375 -4.083 9 1HE MET 1 2HE MET 1 9.477 1.497 -6.020 10 2HE MET 1 3HE MET 1 9.118 2.349 -7.541 11 3HE MET 1 1HE MET 1 9.310 3.269 -6.029 12 H LEU 2 H LEU 2 5.116 4.551 -1.209 13 HA LEU 2 HA LEU 2 6.234 6.961 -0.588 14 1HB LEU 2 1HB LEU 2 4.436 5.071 0.595 15 2HB LEU 2 2HB LEU 2 5.507 5.688 1.838 16 HG LEU 2 HG LEU 2 4.779 7.995 0.518 17 1HD1 LEU 2 3HD1 LEU 2 3.139 6.594 -0.801 18 2HD1 LEU 2 1HD1 LEU 2 2.251 6.352 0.723 19 3HD1 LEU 2 2HD1 LEU 2 2.456 7.993 0.063 20 1HD2 LEU 2 3HD2 LEU 2 4.157 6.662 3.058 21 2HD2 LEU 2 1HD2 LEU 2 4.653 8.338 2.724 22 3HD2 LEU 2 2HD2 LEU 2 2.947 7.864 2.551 23 H VAL 3 H VAL 3 6.841 4.193 1.639 24 HA VAL 3 HA VAL 3 9.703 4.727 1.410 25 HB VAL 3 HB VAL 3 9.362 6.063 3.226 26 1HG1 VAL 3 2HG1 VAL 3 6.902 4.471 3.571 27 2HG1 VAL 3 3HG1 VAL 3 7.652 5.011 5.092 28 3HG1 VAL 3 1HG1 VAL 3 7.201 6.203 3.850 29 1HG2 VAL 3 2HG2 VAL 3 10.769 3.937 3.746 30 2HG2 VAL 3 3HG2 VAL 3 10.291 5.007 5.085 31 3HG2 VAL 3 1HG2 VAL 3 9.403 3.492 4.797 32 H ALA 4 H ALA 4 10.309 2.775 0.561 33 HA ALA 4 HA ALA 4 10.322 0.556 0.231 34 1HB ALA 4 1HB ALA 4 11.366 1.326 2.795 35 2HB ALA 4 2HB ALA 4 10.633 -0.289 2.947 36 3HB ALA 4 3HB ALA 4 11.899 0.003 1.731 37 H LYS 5 H LYS 5 7.816 0.975 -0.199 38 HA LYS 5 HA LYS 5 6.435 -1.003 1.461 39 1HB LYS 5 1HB LYS 5 5.510 1.780 0.761 40 2HB LYS 5 2HB LYS 5 4.356 0.500 1.072 41 1HG LYS 5 1HG LYS 5 6.607 0.856 3.045 42 2HG LYS 5 2HG LYS 5 5.329 2.055 3.048 43 1HD LYS 5 1HD LYS 5 3.937 -0.387 2.908 44 2HD LYS 5 2HD LYS 5 5.272 -0.740 3.987 45 1HE LYS 5 1HE LYS 5 3.444 0.086 5.351 46 2HE LYS 5 2HE LYS 5 4.675 1.333 5.324 47 1HZ LYS 5 3HZ LYS 5 3.296 2.116 3.280 48 2HZ LYS 5 1HZ LYS 5 2.089 1.304 4.021 49 3HZ LYS 5 2HZ LYS 5 2.848 2.524 4.796 50 H SER 6 H SER 6 4.262 -1.628 0.228 51 HA SER 6 HA SER 6 4.542 -1.435 -2.607 52 1HB SER 6 1HB SER 6 6.043 -3.306 -2.250 53 2HB SER 6 2HB SER 6 4.920 -4.084 -1.153 54 HG SER 6 HG SER 6 3.612 -4.701 -2.829 55 H SER 7 H SER 7 2.639 -2.723 -3.689 56 HA SER 7 HA SER 7 0.406 -2.754 -1.813 57 1HB SER 7 1HB SER 7 -0.212 -0.895 -3.025 58 2HB SER 7 2HB SER 7 0.737 -1.352 -4.425 59 HG SER 7 HG SER 7 -1.872 -1.546 -4.219 60 H ILE 8 H ILE 8 -0.796 -4.642 -1.823 61 HA ILE 8 HA ILE 8 -0.539 -6.367 -4.173 62 HB ILE 8 HB ILE 8 -0.115 -7.178 -1.297 63 1HG1 ILE 8 1HG1 ILE 8 1.831 -7.915 -3.396 64 2HG1 ILE 8 2HG1 ILE 8 1.713 -6.196 -3.080 65 1HG2 ILE 8 1HG2 ILE 8 -1.540 -8.810 -2.455 66 2HG2 ILE 8 2HG2 ILE 8 -0.324 -8.950 -3.748 67 3HG2 ILE 8 3HG2 ILE 8 0.074 -9.470 -2.092 68 1HD1 ILE 8 1HD1 ILE 8 1.761 -7.028 -0.518 69 2HD1 ILE 8 2HD1 ILE 8 2.606 -8.411 -1.257 70 3HD1 ILE 8 3HD1 ILE 8 3.257 -6.764 -1.447 71 H LEU 9 H LEU 9 -2.534 -6.672 -4.988 72 HA LEU 9 HA LEU 9 -4.791 -6.340 -3.177 73 1HB LEU 9 1HB LEU 9 -4.526 -5.102 -5.383 74 2HB LEU 9 2HB LEU 9 -4.842 -6.632 -6.176 75 HG LEU 9 HG LEU 9 -7.039 -6.744 -4.978 76 1HD1 LEU 9 2HD1 LEU 9 -5.957 -4.692 -3.418 77 2HD1 LEU 9 3HD1 LEU 9 -7.231 -3.914 -4.387 78 3HD1 LEU 9 1HD1 LEU 9 -7.620 -5.323 -3.372 79 1HD2 LEU 9 3HD2 LEU 9 -6.695 -5.860 -7.322 80 2HD2 LEU 9 1HD2 LEU 9 -8.175 -5.320 -6.492 81 3HD2 LEU 9 2HD2 LEU 9 -6.780 -4.224 -6.627 82 H LEU 10 H LEU 10 -6.063 -8.009 -2.501 83 HA LEU 10 HA LEU 10 -5.449 -10.626 -3.686 84 1HB LEU 10 1HB LEU 10 -5.580 -9.679 -0.927 85 2HB LEU 10 2HB LEU 10 -6.585 -11.089 -1.206 86 HG LEU 10 HG LEU 10 -4.527 -12.183 -2.255 87 1HD1 LEU 10 3HD1 LEU 10 -3.224 -9.759 -1.002 88 2HD1 LEU 10 1HD1 LEU 10 -2.344 -11.261 -1.378 89 3HD1 LEU 10 2HD1 LEU 10 -3.114 -10.329 -2.685 90 1HD2 LEU 10 1HD2 LEU 10 -5.527 -12.465 0.132 91 2HD2 LEU 10 2HD2 LEU 10 -3.913 -13.119 -0.232 92 3HD2 LEU 10 3HD2 LEU 10 -4.071 -11.582 0.653 93 H ASP 11 H ASP 11 -7.282 -12.173 -3.760 94 HA ASP 11 HA ASP 11 -9.857 -10.857 -3.664 95 1HB ASP 11 1HB ASP 11 -8.516 -11.235 -6.078 96 2HB ASP 11 2HB ASP 11 -9.506 -12.678 -5.985 97 H VAL 12 H VAL 12 -11.265 -12.246 -2.573 98 HA VAL 12 HA VAL 12 -10.702 -15.121 -2.753 99 HB VAL 12 HB VAL 12 -11.547 -13.605 -0.277 100 1HG1 VAL 12 2HG1 VAL 12 -11.136 -16.507 -0.923 101 2HG1 VAL 12 3HG1 VAL 12 -10.743 -15.919 0.711 102 3HG1 VAL 12 1HG1 VAL 12 -12.392 -15.723 0.066 103 1HG2 VAL 12 2HG2 VAL 12 -8.840 -14.658 -1.139 104 2HG2 VAL 12 3HG2 VAL 12 -9.283 -12.995 -0.685 105 3HG2 VAL 12 1HG2 VAL 12 -9.243 -14.276 0.552 106 H LYS 13 H LYS 13 -12.572 -16.494 -2.668 107 HA LYS 13 HA LYS 13 -15.035 -15.016 -3.265 108 1HB LYS 13 1HB LYS 13 -13.719 -16.785 -4.868 109 2HB LYS 13 2HB LYS 13 -14.825 -17.864 -4.043 110 1HG LYS 13 1HG LYS 13 -16.612 -17.063 -5.200 111 2HG LYS 13 2HG LYS 13 -16.203 -15.402 -4.817 112 1HD LYS 13 1HD LYS 13 -14.520 -15.382 -6.662 113 2HD LYS 13 2HD LYS 13 -14.899 -17.051 -7.036 114 1HE LYS 13 1HE LYS 13 -17.311 -16.344 -7.450 115 2HE LYS 13 2HE LYS 13 -16.813 -14.678 -7.231 116 1HZ LYS 13 1HZ LYS 13 -15.182 -16.129 -9.068 117 2HZ LYS 13 2HZ LYS 13 -16.738 -15.999 -9.546 118 3HZ LYS 13 3HZ LYS 13 -15.867 -14.656 -9.224 119 HA PRO 14 HA PRO 14 -16.546 -16.715 0.429 120 1HB PRO 14 1HB PRO 14 -19.127 -15.835 0.249 121 2HB PRO 14 2HB PRO 14 -17.815 -14.840 0.850 122 1HG PRO 14 1HG PRO 14 -19.185 -14.719 -1.767 123 2HG PRO 14 2HG PRO 14 -18.194 -13.501 -0.990 124 1HD PRO 14 1HD PRO 14 -17.420 -15.220 -3.151 125 2HD PRO 14 2HD PRO 14 -16.395 -14.085 -2.296 126 H TRP 15 H TRP 15 -17.651 -18.482 1.294 127 HA TRP 15 HA TRP 15 -17.972 -20.577 -0.471 128 1HB TRP 15 1HB TRP 15 -18.493 -20.036 2.353 129 2HB TRP 15 2HB TRP 15 -19.622 -21.186 1.664 130 HD1 TRP 15 HD TRP 15 -16.769 -21.544 3.627 131 HE1 TRP 15 1HE TRP 15 -15.208 -23.610 3.116 132 HE3 TRP 15 3HE TRP 15 -18.570 -22.417 -1.047 133 HZ2 TRP 15 2HZ TRP 15 -14.909 -25.339 0.865 134 HZ3 TRP 15 3HZ TRP 15 -17.591 -24.314 -2.334 135 HH2 TRP 15 HH TRP 15 -15.822 -25.750 -1.449 136 H ASP 16 H ASP 16 -20.211 -18.013 0.633 137 HA ASP 16 HA ASP 16 -21.815 -18.285 -1.592 138 1HB ASP 16 1HB ASP 16 -22.403 -20.313 0.182 139 2HB ASP 16 2HB ASP 16 -23.498 -19.067 0.751 140 H ASP 17 H ASP 17 -24.152 -17.092 -0.932 141 HA ASP 17 HA ASP 17 -23.470 -14.571 -0.161 142 1HB ASP 17 1HB ASP 17 -25.706 -14.086 -0.494 143 2HB ASP 17 2HB ASP 17 -25.668 -15.668 -1.244 144 H GLU 18 H GLU 18 -24.260 -17.454 1.725 145 HA GLU 18 HA GLU 18 -25.175 -16.271 4.040 146 1HB GLU 18 1HB GLU 18 -24.794 -18.391 5.077 147 2HB GLU 18 2HB GLU 18 -25.176 -18.749 3.404 148 1HG GLU 18 1HG GLU 18 -22.761 -18.968 2.871 149 2HG GLU 18 2HG GLU 18 -22.337 -18.527 4.513 150 H THR 19 H THR 19 -21.857 -16.840 2.802 151 HA THR 19 HA THR 19 -20.414 -16.375 5.111 152 HB THR 19 HB THR 19 -19.915 -15.854 2.143 153 HG1 THR 19 1HG THR 19 -19.243 -17.961 2.389 154 1HG2 THR 19 1HG2 THR 19 -18.400 -14.391 3.609 155 2HG2 THR 19 2HG2 THR 19 -17.843 -15.887 4.397 156 3HG2 THR 19 3HG2 THR 19 -17.537 -15.627 2.662 157 H ASP 20 H ASP 20 -20.910 -14.801 6.541 158 HA ASP 20 HA ASP 20 -22.016 -12.404 5.947 159 1HB ASP 20 1HB ASP 20 -21.003 -13.692 8.220 160 2HB ASP 20 2HB ASP 20 -20.007 -12.254 8.115 161 H MET 21 H MET 21 -21.140 -11.064 4.324 162 HA MET 21 HA MET 21 -18.419 -10.916 3.790 163 1HB MET 21 1HB MET 21 -20.860 -9.211 3.126 164 2HB MET 21 2HB MET 21 -19.270 -8.689 2.603 165 1HG MET 21 1HG MET 21 -19.172 -11.288 1.766 166 2HG MET 21 2HG MET 21 -20.903 -11.030 1.675 167 1HE MET 21 2HE MET 21 -18.421 -11.567 -0.226 168 2HE MET 21 3HE MET 21 -19.766 -11.428 -1.384 169 3HE MET 21 1HE MET 21 -18.312 -10.420 -1.582 170 H ALA 22 H ALA 22 -20.564 -9.069 5.967 171 HA ALA 22 HA ALA 22 -18.908 -6.868 6.387 172 1HB ALA 22 1HB ALA 22 -21.336 -7.171 7.043 173 2HB ALA 22 2HB ALA 22 -20.776 -8.187 8.392 174 3HB ALA 22 3HB ALA 22 -20.302 -6.474 8.313 175 H LYS 23 H LYS 23 -18.946 -10.177 7.770 176 HA LYS 23 HA LYS 23 -16.954 -9.520 9.725 177 1HB LYS 23 1HB LYS 23 -18.881 -11.382 9.656 178 2HB LYS 23 2HB LYS 23 -17.579 -12.344 8.986 179 1HG LYS 23 1HG LYS 23 -16.787 -12.658 11.086 180 2HG LYS 23 2HG LYS 23 -16.405 -10.949 11.162 181 1HD LYS 23 1HD LYS 23 -18.994 -10.695 11.749 182 2HD LYS 23 2HD LYS 23 -18.864 -12.387 12.186 183 1HE LYS 23 1HE LYS 23 -17.829 -11.866 14.139 184 2HE LYS 23 2HE LYS 23 -16.592 -10.956 13.296 185 1HZ LYS 23 1HZ LYS 23 -19.012 -9.535 13.305 186 2HZ LYS 23 2HZ LYS 23 -18.609 -9.946 14.833 187 3HZ LYS 23 3HZ LYS 23 -17.562 -9.094 13.913 188 H LEU 24 H LEU 24 -17.104 -11.211 6.539 189 HA LEU 24 HA LEU 24 -14.427 -12.003 6.516 190 1HB LEU 24 1HB LEU 24 -16.660 -12.307 4.918 191 2HB LEU 24 2HB LEU 24 -15.581 -11.363 3.910 192 HG LEU 24 HG LEU 24 -14.837 -13.986 5.231 193 1HD1 LEU 24 1HD1 LEU 24 -16.503 -13.537 2.987 194 2HD1 LEU 24 2HD1 LEU 24 -14.944 -14.138 2.371 195 3HD1 LEU 24 3HD1 LEU 24 -15.843 -15.078 3.586 196 1HD2 LEU 24 1HD2 LEU 24 -13.198 -11.966 4.203 197 2HD2 LEU 24 2HD2 LEU 24 -12.741 -13.644 4.582 198 3HD2 LEU 24 3HD2 LEU 24 -13.255 -13.211 2.934 199 H GLU 25 H GLU 25 -16.078 -9.002 5.376 200 HA GLU 25 HA GLU 25 -13.732 -7.916 4.302 201 1HB GLU 25 1HB GLU 25 -16.306 -7.309 3.983 202 2HB GLU 25 2HB GLU 25 -16.002 -6.190 5.298 203 1HG GLU 25 1HG GLU 25 -15.575 -4.949 3.292 204 2HG GLU 25 2HG GLU 25 -13.996 -5.316 3.955 205 H GLU 26 H GLU 26 -15.251 -7.906 7.531 206 HA GLU 26 HA GLU 26 -13.599 -5.826 8.504 207 1HB GLU 26 1HB GLU 26 -15.582 -5.981 9.714 208 2HB GLU 26 2HB GLU 26 -15.616 -7.732 9.656 209 1HG GLU 26 1HG GLU 26 -14.265 -7.968 11.521 210 2HG GLU 26 2HG GLU 26 -13.307 -6.550 11.144 211 H CYS 27 H CYS 27 -13.782 -9.391 9.239 212 HA CYS 27 HA CYS 27 -11.658 -9.679 10.816 213 1HB CYS 27 1HB CYS 27 -13.159 -11.510 10.053 214 2HB CYS 27 2HB CYS 27 -12.324 -11.542 8.512 215 HG CYS 27 HG CYS 27 -10.085 -11.410 10.642 216 H VAL 28 H VAL 28 -11.580 -9.670 7.176 217 HA VAL 28 HA VAL 28 -8.923 -9.985 6.764 218 HB VAL 28 HB VAL 28 -10.965 -8.269 5.353 219 1HG1 VAL 28 3HG1 VAL 28 -8.076 -8.396 4.938 220 2HG1 VAL 28 1HG1 VAL 28 -8.991 -8.881 3.490 221 3HG1 VAL 28 2HG1 VAL 28 -9.286 -7.293 4.238 222 1HG2 VAL 28 2HG2 VAL 28 -10.991 -10.914 5.550 223 2HG2 VAL 28 3HG2 VAL 28 -11.413 -10.092 4.028 224 3HG2 VAL 28 1HG2 VAL 28 -9.789 -10.790 4.242 225 H ARG 29 H ARG 29 -10.670 -6.935 7.614 226 HA ARG 29 HA ARG 29 -8.339 -5.392 7.490 227 1HB ARG 29 1HB ARG 29 -11.128 -4.959 7.880 228 2HB ARG 29 2HB ARG 29 -10.362 -4.315 9.319 229 1HG ARG 29 1HG ARG 29 -9.402 -2.574 8.182 230 2HG ARG 29 2HG ARG 29 -8.923 -3.589 6.837 231 1HD ARG 29 1HD ARG 29 -10.748 -2.988 5.605 232 2HD ARG 29 2HD ARG 29 -11.844 -3.292 6.938 233 HE ARG 29 HE ARG 29 -10.362 -0.878 7.449 234 1HH1 ARG 29 2HH2 ARG 29 -12.957 -2.127 5.428 235 2HH1 ARG 29 1HH2 ARG 29 -13.725 -0.587 5.240 236 1HH2 ARG 29 2HH1 ARG 29 -11.376 1.155 7.202 237 2HH2 ARG 29 1HH1 ARG 29 -12.820 1.294 6.256 238 H SER 30 H SER 30 -10.304 -6.742 10.240 239 HA SER 30 HA SER 30 -9.034 -5.815 12.351 240 1HB SER 30 1HB SER 30 -9.894 -7.628 13.548 241 2HB SER 30 2HB SER 30 -10.877 -7.673 12.098 242 HG SER 30 HG SER 30 -8.536 -9.288 12.649 243 H ILE 31 H ILE 31 -7.879 -8.562 10.291 244 HA ILE 31 HA ILE 31 -5.743 -9.429 11.669 245 HB ILE 31 HB ILE 31 -6.050 -8.941 8.710 246 1HG1 ILE 31 1HG1 ILE 31 -6.237 -11.543 10.240 247 2HG1 ILE 31 2HG1 ILE 31 -7.626 -10.507 9.978 248 1HG2 ILE 31 3HG2 ILE 31 -3.651 -9.055 9.348 249 2HG2 ILE 31 1HG2 ILE 31 -3.952 -10.657 10.063 250 3HG2 ILE 31 2HG2 ILE 31 -4.181 -10.404 8.315 251 1HD1 ILE 31 3HD1 ILE 31 -6.764 -10.572 7.433 252 2HD1 ILE 31 1HD1 ILE 31 -6.039 -12.103 7.983 253 3HD1 ILE 31 2HD1 ILE 31 -7.799 -11.860 8.099 254 H GLN 32 H GLN 32 -3.784 -8.687 12.362 255 HA GLN 32 HA GLN 32 -2.869 -6.193 11.191 256 1HB GLN 32 1HB GLN 32 -4.033 -6.374 13.760 257 2HB GLN 32 2HB GLN 32 -2.308 -6.298 14.062 258 1HG GLN 32 1HG GLN 32 -2.145 -4.265 12.607 259 2HG GLN 32 2HG GLN 32 -3.869 -4.340 12.308 260 1HE2 GLN 32 2HE2 GLN 32 -4.834 -2.697 15.193 261 2HE2 GLN 32 1HE2 GLN 32 -5.220 -3.373 13.645 262 H ALA 33 H ALA 33 -0.527 -5.845 11.409 263 HA ALA 33 HA ALA 33 1.058 -7.898 12.614 264 1HB ALA 33 1HB ALA 33 0.139 -8.485 10.075 265 2HB ALA 33 2HB ALA 33 1.710 -7.719 9.740 266 3HB ALA 33 3HB ALA 33 1.623 -9.142 10.807 267 H ASP 34 H ASP 34 3.473 -7.411 12.146 268 HA ASP 34 HA ASP 34 3.813 -4.664 12.621 269 1HB ASP 34 1HB ASP 34 5.254 -6.945 13.159 270 2HB ASP 34 2HB ASP 34 6.175 -6.311 11.809 271 H GLY 35 H GLY 35 4.212 -3.044 11.089 272 1HA GLY 35 1HA GLY 35 4.839 -2.051 9.162 273 2HA GLY 35 2HA GLY 35 5.674 -3.518 8.693 274 H LEU 36 H LEU 36 2.415 -4.173 9.603 275 HA LEU 36 HA LEU 36 1.730 -4.481 6.788 276 1HB LEU 36 1HB LEU 36 1.541 -6.451 8.138 277 2HB LEU 36 2HB LEU 36 0.571 -5.612 9.333 278 HG LEU 36 HG LEU 36 -0.476 -5.724 6.537 279 1HD1 LEU 36 3HD1 LEU 36 0.336 -8.086 7.907 280 2HD1 LEU 36 1HD1 LEU 36 -1.443 -8.029 7.907 281 3HD1 LEU 36 2HD1 LEU 36 -0.549 -7.932 6.370 282 1HD2 LEU 36 3HD2 LEU 36 -1.578 -4.518 8.479 283 2HD2 LEU 36 1HD2 LEU 36 -2.596 -5.667 7.576 284 3HD2 LEU 36 2HD2 LEU 36 -1.924 -6.128 9.158 285 H VAL 37 H VAL 37 0.453 -3.038 5.767 286 HA VAL 37 HA VAL 37 -1.158 -1.279 7.483 287 HB VAL 37 HB VAL 37 0.346 -0.816 4.917 288 1HG1 VAL 37 2HG1 VAL 37 -1.942 0.051 4.595 289 2HG1 VAL 37 3HG1 VAL 37 -1.787 1.001 6.092 290 3HG1 VAL 37 1HG1 VAL 37 -0.742 1.362 4.697 291 1HG2 VAL 37 1HG2 VAL 37 0.312 0.525 7.638 292 2HG2 VAL 37 2HG2 VAL 37 1.637 -0.402 6.894 293 3HG2 VAL 37 3HG2 VAL 37 1.167 1.178 6.220 294 H TRP 38 H TRP 38 -3.349 -1.187 7.135 295 HA TRP 38 HA TRP 38 -4.343 -2.939 5.005 296 1HB TRP 38 1HB TRP 38 -5.259 -2.255 7.745 297 2HB TRP 38 2HB TRP 38 -6.506 -2.473 6.532 298 HD1 TRP 38 HD TRP 38 -5.089 -4.499 9.064 299 HE1 TRP 38 1HE TRP 38 -4.994 -7.088 8.566 300 HE3 TRP 38 3HE TRP 38 -5.733 -4.089 4.037 301 HZ2 TRP 38 2HZ TRP 38 -5.195 -8.641 6.179 302 HZ3 TRP 38 3HZ TRP 38 -5.771 -6.190 2.696 303 HH2 TRP 38 HH TRP 38 -5.514 -8.408 3.689 304 H GLY 39 H GLY 39 -5.071 -1.910 3.196 305 1HA GLY 39 1HA GLY 39 -5.649 0.954 3.356 306 2HA GLY 39 2HA GLY 39 -5.389 -0.003 1.910 307 H SER 40 H SER 40 -7.314 0.677 0.855 308 HA SER 40 HA SER 40 -9.780 0.119 2.258 309 1HB SER 40 1HB SER 40 -10.840 1.560 0.735 310 2HB SER 40 2HB SER 40 -9.257 2.292 0.908 311 HG SER 40 HG SER 40 -8.707 0.833 -1.053 312 H SER 41 H SER 41 -11.335 -1.405 1.490 313 HA SER 41 HA SER 41 -10.179 -3.343 -0.319 314 1HB SER 41 1HB SER 41 -11.976 -4.849 0.518 315 2HB SER 41 2HB SER 41 -10.997 -4.205 1.821 316 HG SER 41 HG SER 41 -13.595 -4.131 1.746 317 H LYS 42 H LYS 42 -11.791 -4.434 -1.903 318 HA LYS 42 HA LYS 42 -13.728 -2.457 -2.873 319 1HB LYS 42 1HB LYS 42 -12.040 -4.115 -4.742 320 2HB LYS 42 2HB LYS 42 -13.017 -2.707 -5.105 321 1HG LYS 42 1HG LYS 42 -11.477 -1.329 -3.624 322 2HG LYS 42 2HG LYS 42 -10.460 -2.744 -3.433 323 1HD LYS 42 1HD LYS 42 -9.563 -1.322 -5.227 324 2HD LYS 42 2HD LYS 42 -10.115 -2.840 -5.905 325 1HE LYS 42 1HE LYS 42 -11.537 -1.736 -7.284 326 2HE LYS 42 2HE LYS 42 -12.361 -1.032 -5.907 327 1HZ LYS 42 2HZ LYS 42 -9.893 0.239 -6.321 328 2HZ LYS 42 3HZ LYS 42 -10.767 0.267 -7.701 329 3HZ LYS 42 1HZ LYS 42 -11.394 0.885 -6.325 330 H LEU 43 H LEU 43 -15.458 -3.449 -4.249 331 HA LEU 43 HA LEU 43 -15.852 -6.268 -3.529 332 1HB LEU 43 1HB LEU 43 -17.550 -3.908 -3.017 333 2HB LEU 43 2HB LEU 43 -18.384 -5.304 -3.671 334 HG LEU 43 HG LEU 43 -18.506 -5.291 -1.250 335 1HD1 LEU 43 1HD1 LEU 43 -17.488 -7.451 -2.823 336 2HD1 LEU 43 2HD1 LEU 43 -16.768 -7.537 -1.198 337 3HD1 LEU 43 3HD1 LEU 43 -18.538 -7.502 -1.386 338 1HD2 LEU 43 3HD2 LEU 43 -15.973 -4.220 -1.303 339 2HD2 LEU 43 1HD2 LEU 43 -16.828 -4.808 0.144 340 3HD2 LEU 43 2HD2 LEU 43 -15.684 -5.872 -0.709 341 H VAL 44 H VAL 44 -16.952 -7.559 -5.097 342 HA VAL 44 HA VAL 44 -17.542 -6.259 -7.630 343 HB VAL 44 HB VAL 44 -15.353 -8.239 -7.130 344 1HG1 VAL 44 3HG1 VAL 44 -17.251 -8.250 -9.426 345 2HG1 VAL 44 1HG1 VAL 44 -15.519 -8.407 -9.810 346 3HG1 VAL 44 2HG1 VAL 44 -16.297 -9.575 -8.714 347 1HG2 VAL 44 3HG2 VAL 44 -15.538 -5.527 -7.968 348 2HG2 VAL 44 1HG2 VAL 44 -14.081 -6.534 -7.795 349 3HG2 VAL 44 2HG2 VAL 44 -14.939 -6.472 -9.353 350 HA PRO 45 HA PRO 45 -20.705 -9.214 -6.764 351 1HB PRO 45 1HB PRO 45 -22.675 -7.984 -8.203 352 2HB PRO 45 2HB PRO 45 -22.351 -7.623 -6.519 353 1HG PRO 45 1HG PRO 45 -21.691 -6.026 -8.919 354 2HG PRO 45 2HG PRO 45 -21.765 -5.513 -7.245 355 1HD PRO 45 1HD PRO 45 -19.397 -6.041 -8.772 356 2HD PRO 45 2HD PRO 45 -19.477 -5.641 -7.069 357 H VAL 46 H VAL 46 -21.287 -11.106 -7.709 358 HA VAL 46 HA VAL 46 -20.393 -11.281 -10.484 359 HB VAL 46 HB VAL 46 -19.507 -12.797 -8.687 360 1HG1 VAL 46 3HG1 VAL 46 -22.392 -13.680 -8.672 361 2HG1 VAL 46 1HG1 VAL 46 -21.082 -14.800 -8.227 362 3HG1 VAL 46 2HG1 VAL 46 -21.324 -13.300 -7.301 363 1HG2 VAL 46 1HG2 VAL 46 -20.673 -13.613 -11.290 364 2HG2 VAL 46 2HG2 VAL 46 -19.004 -13.744 -10.684 365 3HG2 VAL 46 3HG2 VAL 46 -20.227 -14.938 -10.188 366 H GLY 47 H GLY 47 -23.223 -10.961 -8.525 367 1HA GLY 47 1HA GLY 47 -25.052 -10.590 -10.433 368 2HA GLY 47 2HA GLY 47 -24.980 -12.341 -10.384 369 H TYR 48 H TYR 48 -24.849 -9.698 -7.879 370 HA TYR 48 HA TYR 48 -25.946 -9.426 -5.972 371 1HB TYR 48 1HB TYR 48 -27.791 -10.111 -8.054 372 2HB TYR 48 2HB TYR 48 -28.285 -11.107 -6.700 373 HD1 TYR 48 1HD TYR 48 -27.748 -7.605 -7.805 374 HD2 TYR 48 2HD TYR 48 -29.416 -10.166 -4.811 375 HE1 TYR 48 1HE TYR 48 -28.996 -5.630 -6.799 376 HE2 TYR 48 2HE TYR 48 -30.657 -8.183 -3.816 377 HH TYR 48 HH TYR 48 -30.433 -4.975 -5.325 378 H GLY 49 H GLY 49 -26.953 -10.543 -4.019 379 1HA GLY 49 1HA GLY 49 -27.082 -12.256 -2.553 380 2HA GLY 49 2HA GLY 49 -26.888 -13.390 -3.874 381 H ILE 50 H ILE 50 -24.472 -13.095 -4.954 382 HA ILE 50 HA ILE 50 -22.663 -13.357 -2.659 383 HB ILE 50 HB ILE 50 -22.671 -14.645 -5.385 384 1HG1 ILE 50 1HG1 ILE 50 -22.396 -16.581 -3.417 385 2HG1 ILE 50 2HG1 ILE 50 -23.514 -15.443 -2.695 386 1HG2 ILE 50 2HG2 ILE 50 -20.511 -14.733 -3.260 387 2HG2 ILE 50 3HG2 ILE 50 -20.589 -15.780 -4.698 388 3HG2 ILE 50 1HG2 ILE 50 -20.384 -14.021 -4.887 389 1HD1 ILE 50 3HD1 ILE 50 -23.846 -16.514 -5.531 390 2HD1 ILE 50 1HD1 ILE 50 -24.601 -17.263 -4.104 391 3HD1 ILE 50 2HD1 ILE 50 -25.038 -15.602 -4.574 392 H LYS 51 H LYS 51 -20.395 -12.613 -3.011 393 HA LYS 51 HA LYS 51 -20.024 -10.718 -5.151 394 1HB LYS 51 1HB LYS 51 -20.688 -9.878 -2.389 395 2HB LYS 51 2HB LYS 51 -19.289 -9.091 -3.091 396 1HG LYS 51 1HG LYS 51 -20.541 -7.943 -4.636 397 2HG LYS 51 2HG LYS 51 -21.578 -9.317 -4.967 398 1HD LYS 51 1HD LYS 51 -23.143 -8.688 -3.405 399 2HD LYS 51 2HD LYS 51 -21.934 -8.176 -2.245 400 1HE LYS 51 1HE LYS 51 -21.747 -6.014 -3.178 401 2HE LYS 51 2HE LYS 51 -22.323 -6.527 -4.751 402 1HZ LYS 51 2HZ LYS 51 -24.308 -7.014 -2.858 403 2HZ LYS 51 3HZ LYS 51 -23.805 -5.470 -2.686 404 3HZ LYS 51 1HZ LYS 51 -24.349 -5.995 -4.134 405 H LYS 52 H LYS 52 -17.721 -9.810 -5.050 406 HA LYS 52 HA LYS 52 -16.000 -12.019 -4.330 407 1HB LYS 52 1HB LYS 52 -16.071 -10.083 -6.393 408 2HB LYS 52 2HB LYS 52 -14.631 -9.738 -5.457 409 1HG LYS 52 1HG LYS 52 -13.899 -12.101 -5.653 410 2HG LYS 52 2HG LYS 52 -15.371 -12.509 -6.512 411 1HD LYS 52 1HD LYS 52 -14.761 -11.091 -8.399 412 2HD LYS 52 2HD LYS 52 -13.421 -10.388 -7.516 413 1HE LYS 52 1HE LYS 52 -12.032 -12.119 -8.041 414 2HE LYS 52 2HE LYS 52 -13.222 -13.320 -7.582 415 1HZ LYS 52 1HZ LYS 52 -14.326 -12.616 -9.771 416 2HZ LYS 52 2HZ LYS 52 -12.853 -12.031 -10.165 417 3HZ LYS 52 3HZ LYS 52 -13.037 -13.618 -9.821 418 H LEU 53 H LEU 53 -14.211 -11.881 -2.896 419 HA LEU 53 HA LEU 53 -14.542 -9.737 -0.931 420 1HB LEU 53 1HB LEU 53 -14.269 -12.552 -0.734 421 2HB LEU 53 2HB LEU 53 -12.812 -11.846 -0.061 422 HG LEU 53 HG LEU 53 -14.810 -12.327 1.497 423 1HD1 LEU 53 1HD1 LEU 53 -13.296 -9.713 1.464 424 2HD1 LEU 53 2HD1 LEU 53 -14.328 -10.221 2.821 425 3HD1 LEU 53 3HD1 LEU 53 -12.918 -11.204 2.360 426 1HD2 LEU 53 2HD2 LEU 53 -16.362 -11.056 -0.174 427 2HD2 LEU 53 3HD2 LEU 53 -16.624 -10.906 1.580 428 3HD2 LEU 53 1HD2 LEU 53 -15.791 -9.608 0.690 429 H GLN 54 H GLN 54 -13.425 -8.394 -2.722 430 HA GLN 54 HA GLN 54 -10.601 -8.943 -2.858 431 1HB GLN 54 1HB GLN 54 -11.626 -8.305 -4.946 432 2HB GLN 54 2HB GLN 54 -12.413 -6.917 -4.222 433 1HG GLN 54 1HG GLN 54 -10.593 -5.611 -4.588 434 2HG GLN 54 2HG GLN 54 -9.552 -6.737 -3.740 435 1HE2 GLN 54 2HE2 GLN 54 -9.887 -6.728 -7.846 436 2HE2 GLN 54 1HE2 GLN 54 -10.978 -5.865 -6.815 437 H ILE 55 H ILE 55 -8.981 -7.673 -1.897 438 HA ILE 55 HA ILE 55 -9.771 -5.241 -0.545 439 HB ILE 55 HB ILE 55 -9.529 -5.891 1.584 440 1HG1 ILE 55 1HG1 ILE 55 -7.147 -6.492 1.295 441 2HG1 ILE 55 2HG1 ILE 55 -7.981 -7.518 2.444 442 1HG2 ILE 55 2HG2 ILE 55 -10.196 -8.527 0.248 443 2HG2 ILE 55 3HG2 ILE 55 -10.385 -8.191 1.986 444 3HG2 ILE 55 1HG2 ILE 55 -11.334 -7.271 0.793 445 1HD1 ILE 55 3HD1 ILE 55 -7.771 -8.339 -0.471 446 2HD1 ILE 55 1HD1 ILE 55 -6.439 -8.652 0.666 447 3HD1 ILE 55 2HD1 ILE 55 -8.043 -9.366 0.957 448 H GLN 56 H GLN 56 -7.908 -3.925 0.057 449 HA GLN 56 HA GLN 56 -5.533 -4.805 -1.392 450 1HB GLN 56 1HB GLN 56 -6.640 -2.890 -2.484 451 2HB GLN 56 2HB GLN 56 -6.612 -1.982 -0.986 452 1HG GLN 56 1HG GLN 56 -4.718 -1.149 -2.116 453 2HG GLN 56 2HG GLN 56 -4.018 -2.345 -1.044 454 1HE2 GLN 56 1HE2 GLN 56 -2.604 -3.634 -1.921 455 2HE2 GLN 56 2HE2 GLN 56 -2.529 -4.157 -3.569 456 H CYS 57 H CYS 57 -3.464 -4.431 -0.421 457 HA CYS 57 HA CYS 57 -3.551 -3.371 2.293 458 1HB CYS 57 1HB CYS 57 -1.827 -5.306 2.794 459 2HB CYS 57 2HB CYS 57 -3.552 -5.567 2.953 460 HG CYS 57 HG CYS 57 -1.516 -7.169 1.371 461 H VAL 58 H VAL 58 -1.260 -2.802 3.040 462 HA VAL 58 HA VAL 58 0.492 -2.310 0.736 463 HB VAL 58 HB VAL 58 -0.135 -0.402 2.998 464 1HG1 VAL 58 3HG1 VAL 58 1.856 -0.362 0.748 465 2HG1 VAL 58 1HG1 VAL 58 1.146 1.166 1.320 466 3HG1 VAL 58 2HG1 VAL 58 2.049 0.128 2.449 467 1HG2 VAL 58 1HG2 VAL 58 -1.129 -0.613 0.169 468 2HG2 VAL 58 2HG2 VAL 58 -2.021 -0.242 1.663 469 3HG2 VAL 58 3HG2 VAL 58 -0.960 0.986 0.932 470 H VAL 59 H VAL 59 1.935 -3.979 1.164 471 HA VAL 59 HA VAL 59 2.879 -4.332 3.869 472 HB VAL 59 HB VAL 59 4.065 -6.221 2.970 473 1HG1 VAL 59 3HG1 VAL 59 1.215 -5.891 2.016 474 2HG1 VAL 59 1HG1 VAL 59 2.105 -7.418 1.815 475 3HG1 VAL 59 2HG1 VAL 59 1.822 -6.761 3.444 476 1HG2 VAL 59 1HG2 VAL 59 4.618 -4.938 0.775 477 2HG2 VAL 59 2HG2 VAL 59 4.394 -6.703 0.713 478 3HG2 VAL 59 3HG2 VAL 59 3.083 -5.621 0.184 479 H GLU 60 H GLU 60 5.388 -4.576 4.115 480 HA GLU 60 HA GLU 60 6.458 -2.088 3.128 481 1HB GLU 60 1HB GLU 60 6.717 -3.628 5.538 482 2HB GLU 60 2HB GLU 60 8.311 -3.517 4.820 483 1HG GLU 60 1HG GLU 60 7.207 -0.921 4.526 484 2HG GLU 60 2HG GLU 60 6.724 -1.430 6.131 485 H ASP 61 H ASP 61 6.684 -2.843 0.868 486 HA ASP 61 HA ASP 61 7.878 -3.527 -0.806 487 1HB ASP 61 1HB ASP 61 9.925 -2.674 -0.110 488 2HB ASP 61 2HB ASP 61 9.903 -3.559 1.401 489 H ASP 62 H ASP 62 9.424 -5.695 1.665 490 HA ASP 62 HA ASP 62 7.869 -7.900 0.616 491 1HB ASP 62 1HB ASP 62 10.411 -7.502 -0.306 492 2HB ASP 62 2HB ASP 62 10.779 -8.420 1.140 493 H LYS 63 H LYS 63 7.988 -6.225 3.143 494 HA LYS 63 HA LYS 63 9.226 -7.957 5.090 495 1HB LYS 63 1HB LYS 63 9.093 -5.352 5.079 496 2HB LYS 63 2HB LYS 63 7.478 -5.587 5.718 497 1HG LYS 63 1HG LYS 63 8.269 -6.665 7.688 498 2HG LYS 63 2HG LYS 63 9.820 -7.054 6.969 499 1HD LYS 63 1HD LYS 63 9.152 -4.136 7.137 500 2HD LYS 63 2HD LYS 63 9.432 -4.946 8.666 501 1HE LYS 63 1HE LYS 63 11.557 -4.043 7.837 502 2HE LYS 63 2HE LYS 63 11.631 -5.794 7.813 503 1HZ LYS 63 2HZ LYS 63 10.989 -5.672 5.459 504 2HZ LYS 63 3HZ LYS 63 11.098 -4.043 5.516 505 3HZ LYS 63 1HZ LYS 63 12.426 -4.960 5.764 506 H VAL 64 H VAL 64 5.872 -6.748 4.377 507 HA VAL 64 HA VAL 64 4.860 -9.022 5.907 508 HB VAL 64 HB VAL 64 3.452 -6.573 4.826 509 1HG1 VAL 64 2HG1 VAL 64 2.255 -8.897 5.456 510 2HG1 VAL 64 3HG1 VAL 64 2.342 -8.174 7.079 511 3HG1 VAL 64 1HG1 VAL 64 1.511 -7.310 5.764 512 1HG2 VAL 64 2HG2 VAL 64 5.310 -6.569 6.826 513 2HG2 VAL 64 3HG2 VAL 64 3.946 -5.432 6.711 514 3HG2 VAL 64 1HG2 VAL 64 3.816 -6.875 7.744 515 H GLY 65 H GLY 65 4.506 -10.851 4.764 516 1HA GLY 65 1HA GLY 65 3.946 -10.629 1.896 517 2HA GLY 65 2HA GLY 65 4.428 -12.065 2.777 518 H THR 66 H THR 66 2.230 -12.054 0.968 519 HA THR 66 HA THR 66 -0.205 -11.723 2.444 520 HB THR 66 HB THR 66 0.673 -12.615 -0.309 521 HG1 THR 66 1HG THR 66 0.142 -10.374 0.332 522 1HG2 THR 66 2HG2 THR 66 -2.165 -12.904 0.808 523 2HG2 THR 66 3HG2 THR 66 -1.675 -13.142 -0.887 524 3HG2 THR 66 1HG2 THR 66 -1.113 -14.271 0.369 525 H ASP 67 H ASP 67 2.212 -14.215 2.138 526 HA ASP 67 HA ASP 67 0.859 -16.496 2.325 527 1HB ASP 67 1HB ASP 67 2.730 -17.175 4.037 528 2HB ASP 67 2HB ASP 67 3.195 -16.709 2.413 529 H MET 68 H MET 68 1.755 -14.300 5.097 530 HA MET 68 HA MET 68 0.416 -15.803 7.019 531 1HB MET 68 1HB MET 68 2.101 -13.558 6.927 532 2HB MET 68 2HB MET 68 0.593 -12.864 7.486 533 1HG MET 68 1HG MET 68 1.795 -15.361 8.759 534 2HG MET 68 2HG MET 68 2.205 -13.749 9.305 535 1HE MET 68 2HE MET 68 0.466 -11.977 9.571 536 2HE MET 68 3HE MET 68 -1.092 -12.376 8.807 537 3HE MET 68 1HE MET 68 -0.980 -12.230 10.577 538 H LEU 69 H LEU 69 -0.509 -12.711 5.341 539 HA LEU 69 HA LEU 69 -2.946 -12.341 6.516 540 1HB LEU 69 1HB LEU 69 -2.506 -11.814 3.595 541 2HB LEU 69 2HB LEU 69 -3.437 -10.890 4.758 542 HG LEU 69 HG LEU 69 -0.441 -11.007 4.428 543 1HD1 LEU 69 1HD1 LEU 69 -2.381 -9.307 3.407 544 2HD1 LEU 69 2HD1 LEU 69 -1.704 -8.406 4.785 545 3HD1 LEU 69 3HD1 LEU 69 -0.630 -8.996 3.493 546 1HD2 LEU 69 3HD2 LEU 69 -1.154 -11.238 6.863 547 2HD2 LEU 69 1HD2 LEU 69 -0.070 -9.885 6.462 548 3HD2 LEU 69 2HD2 LEU 69 -1.805 -9.588 6.717 549 H GLU 70 H GLU 70 -2.083 -14.455 3.723 550 HA GLU 70 HA GLU 70 -4.690 -15.192 3.147 551 1HB GLU 70 1HB GLU 70 -2.874 -15.575 1.568 552 2HB GLU 70 2HB GLU 70 -2.038 -16.624 2.696 553 1HG GLU 70 1HG GLU 70 -4.323 -18.007 2.631 554 2HG GLU 70 2HG GLU 70 -4.556 -17.168 1.111 555 H GLU 71 H GLU 71 -2.138 -16.866 5.125 556 HA GLU 71 HA GLU 71 -3.729 -18.993 5.855 557 1HB GLU 71 1HB GLU 71 -1.318 -17.675 7.148 558 2HB GLU 71 2HB GLU 71 -2.074 -19.081 7.868 559 1HG GLU 71 1HG GLU 71 -1.846 -20.167 5.491 560 2HG GLU 71 2HG GLU 71 -0.726 -18.864 5.151 561 H GLN 72 H GLN 72 -4.017 -15.676 6.670 562 HA GLN 72 HA GLN 72 -5.328 -16.305 9.180 563 1HB GLN 72 1HB GLN 72 -4.635 -13.590 7.974 564 2HB GLN 72 2HB GLN 72 -5.277 -13.860 9.582 565 1HG GLN 72 1HG GLN 72 -2.877 -15.498 9.040 566 2HG GLN 72 2HG GLN 72 -2.563 -13.782 8.882 567 1HE2 GLN 72 2HE2 GLN 72 -3.745 -15.419 12.503 568 2HE2 GLN 72 1HE2 GLN 72 -4.104 -16.183 10.990 569 H ILE 73 H ILE 73 -5.859 -14.645 6.007 570 HA ILE 73 HA ILE 73 -8.605 -14.144 6.560 571 HB ILE 73 HB ILE 73 -7.060 -14.086 3.965 572 1HG1 ILE 73 1HG1 ILE 73 -7.785 -11.633 5.518 573 2HG1 ILE 73 2HG1 ILE 73 -6.421 -12.585 6.065 574 1HG2 ILE 73 1HG2 ILE 73 -9.819 -13.128 4.723 575 2HG2 ILE 73 2HG2 ILE 73 -8.919 -12.447 3.348 576 3HG2 ILE 73 3HG2 ILE 73 -9.330 -14.178 3.372 577 1HD1 ILE 73 1HD1 ILE 73 -5.445 -12.475 3.746 578 2HD1 ILE 73 2HD1 ILE 73 -6.798 -11.421 3.267 579 3HD1 ILE 73 3HD1 ILE 73 -5.635 -10.873 4.498 580 H THR 74 H THR 74 -6.828 -16.486 4.429 581 HA THR 74 HA THR 74 -9.250 -17.898 3.835 582 HB THR 74 HB THR 74 -7.827 -19.143 2.380 583 HG1 THR 74 1HG THR 74 -5.880 -18.335 4.410 584 1HG2 THR 74 1HG2 THR 74 -7.590 -16.457 2.193 585 2HG2 THR 74 2HG2 THR 74 -5.922 -16.823 2.695 586 3HG2 THR 74 3HG2 THR 74 -6.583 -17.543 1.207 587 H ALA 75 H ALA 75 -7.555 -17.633 6.665 588 HA ALA 75 HA ALA 75 -7.231 -20.307 7.435 589 1HB ALA 75 1HB ALA 75 -6.773 -17.741 8.487 590 2HB ALA 75 2HB ALA 75 -7.921 -18.499 9.617 591 3HB ALA 75 3HB ALA 75 -6.372 -19.297 9.253 592 H PHE 76 H PHE 76 -10.047 -18.431 6.774 593 HA PHE 76 HA PHE 76 -11.675 -20.130 8.510 594 1HB PHE 76 1HB PHE 76 -11.741 -17.385 7.341 595 2HB PHE 76 2HB PHE 76 -13.269 -18.220 7.149 596 HD1 PHE 76 2HD PHE 76 -13.604 -19.727 9.580 597 HD2 PHE 76 1HD PHE 76 -11.937 -15.859 9.057 598 HE1 PHE 76 2HE PHE 76 -14.221 -19.141 11.941 599 HE2 PHE 76 1HE PHE 76 -12.553 -15.275 11.419 600 HZ PHE 76 HZ PHE 76 -13.688 -16.922 12.832 601 H GLU 77 H GLU 77 -11.722 -22.082 7.308 602 HA GLU 77 HA GLU 77 -12.287 -22.011 4.539 603 1HB GLU 77 1HB GLU 77 -11.479 -23.963 6.514 604 2HB GLU 77 2HB GLU 77 -12.852 -24.603 5.633 605 1HG GLU 77 1HG GLU 77 -11.046 -23.309 3.759 606 2HG GLU 77 2HG GLU 77 -10.131 -24.424 4.754 607 H ASP 78 H ASP 78 -14.190 -21.353 7.214 608 HA ASP 78 HA ASP 78 -16.533 -22.650 6.120 609 1HB ASP 78 1HB ASP 78 -15.778 -22.430 8.683 610 2HB ASP 78 2HB ASP 78 -16.565 -20.869 8.563 611 H TYR 79 H TYR 79 -14.931 -20.165 5.064 612 HA TYR 79 HA TYR 79 -17.282 -18.550 4.555 613 1HB TYR 79 1HB TYR 79 -14.652 -17.611 5.860 614 2HB TYR 79 2HB TYR 79 -15.844 -16.497 5.221 615 HD1 TYR 79 1HD TYR 79 -15.270 -19.090 7.824 616 HD2 TYR 79 2HD TYR 79 -17.759 -15.874 6.494 617 HE1 TYR 79 1HE TYR 79 -16.482 -19.094 10.059 618 HE2 TYR 79 2HE TYR 79 -18.962 -15.889 8.734 619 HH TYR 79 HH TYR 79 -17.747 -17.471 11.421 620 H VAL 80 H VAL 80 -13.711 -18.996 4.158 621 HA VAL 80 HA VAL 80 -13.808 -17.676 1.593 622 HB VAL 80 HB VAL 80 -11.657 -18.938 3.283 623 1HG1 VAL 80 1HG1 VAL 80 -11.594 -18.215 0.386 624 2HG1 VAL 80 2HG1 VAL 80 -10.184 -17.776 1.380 625 3HG1 VAL 80 3HG1 VAL 80 -10.704 -19.474 1.275 626 1HG2 VAL 80 1HG2 VAL 80 -12.481 -16.143 2.545 627 2HG2 VAL 80 2HG2 VAL 80 -12.065 -16.825 4.135 628 3HG2 VAL 80 3HG2 VAL 80 -10.783 -16.485 2.950 629 H GLN 81 H GLN 81 -14.238 -18.673 -0.305 630 HA GLN 81 HA GLN 81 -14.557 -21.516 -0.244 631 1HB GLN 81 1HB GLN 81 -16.208 -20.020 -1.373 632 2HB GLN 81 2HB GLN 81 -14.975 -19.518 -2.511 633 1HG GLN 81 1HG GLN 81 -14.748 -22.212 -2.818 634 2HG GLN 81 2HG GLN 81 -16.425 -22.141 -2.312 635 1HE2 GLN 81 2HE2 GLN 81 -15.317 -21.198 -6.067 636 2HE2 GLN 81 1HE2 GLN 81 -14.298 -21.917 -4.866 637 H SER 82 H SER 82 -12.401 -19.054 -1.730 638 HA SER 82 HA SER 82 -10.278 -20.802 -1.870 639 1HB SER 82 1HB SER 82 -11.926 -20.588 -4.398 640 2HB SER 82 2HB SER 82 -10.188 -20.770 -4.520 641 HG SER 82 HG SER 82 -11.868 -22.739 -4.288 642 H MET 83 H MET 83 -8.703 -19.293 -1.474 643 HA MET 83 HA MET 83 -9.105 -16.617 -2.387 644 1HB MET 83 1HB MET 83 -8.176 -16.970 -0.150 645 2HB MET 83 2HB MET 83 -6.942 -18.052 -0.763 646 1HG MET 83 1HG MET 83 -7.037 -15.217 -1.821 647 2HG MET 83 2HG MET 83 -6.372 -15.496 -0.223 648 1HE MET 83 1HE MET 83 -4.335 -15.170 -0.086 649 2HE MET 83 2HE MET 83 -2.982 -16.079 -0.801 650 3HE MET 83 3HE MET 83 -3.616 -14.633 -1.623 651 H ASP 84 H ASP 84 -7.537 -15.393 -3.686 652 HA ASP 84 HA ASP 84 -5.660 -17.021 -5.150 653 1HB ASP 84 1HB ASP 84 -8.060 -15.601 -6.310 654 2HB ASP 84 2HB ASP 84 -6.581 -15.614 -7.251 655 H VAL 85 H VAL 85 -4.740 -15.159 -6.997 656 HA VAL 85 HA VAL 85 -4.152 -12.804 -5.338 657 HB VAL 85 HB VAL 85 -2.326 -14.545 -5.764 658 1HG1 VAL 85 1HG1 VAL 85 -2.961 -14.755 -8.230 659 2HG1 VAL 85 2HG1 VAL 85 -2.130 -13.199 -8.467 660 3HG1 VAL 85 3HG1 VAL 85 -1.228 -14.607 -7.858 661 1HG2 VAL 85 2HG2 VAL 85 -2.250 -11.618 -5.892 662 2HG2 VAL 85 3HG2 VAL 85 -1.251 -12.752 -4.951 663 3HG2 VAL 85 1HG2 VAL 85 -0.831 -12.387 -6.641 664 H ALA 86 H ALA 86 -4.316 -10.771 -6.296 665 HA ALA 86 HA ALA 86 -5.646 -10.796 -8.897 666 1HB ALA 86 1HB ALA 86 -6.346 -9.594 -6.564 667 2HB ALA 86 2HB ALA 86 -5.383 -8.292 -7.304 668 3HB ALA 86 3HB ALA 86 -6.791 -8.958 -8.165 669 H ALA 87 H ALA 87 -2.658 -9.949 -7.237 670 HA ALA 87 HA ALA 87 -1.167 -9.677 -9.501 671 1HB ALA 87 1HB ALA 87 -2.498 -7.097 -8.656 672 2HB ALA 87 2HB ALA 87 -0.893 -7.082 -9.426 673 3HB ALA 87 3HB ALA 87 -2.289 -7.771 -10.290 674 H PHE 88 H PHE 88 0.969 -8.334 -8.961 675 HA PHE 88 HA PHE 88 1.437 -8.113 -6.128 676 1HB PHE 88 1HB PHE 88 1.913 -10.542 -7.574 677 2HB PHE 88 2HB PHE 88 3.490 -9.791 -7.444 678 HD1 PHE 88 1HD PHE 88 0.563 -10.801 -5.379 679 HD2 PHE 88 2HD PHE 88 4.735 -10.033 -5.489 680 HE1 PHE 88 1HE PHE 88 0.786 -11.675 -3.037 681 HE2 PHE 88 2HE PHE 88 4.958 -10.908 -3.148 682 HZ PHE 88 HZ PHE 88 2.981 -11.718 -1.949 683 H ASN 89 H ASN 89 2.079 -5.967 -6.390 684 HA ASN 89 HA ASN 89 4.646 -5.671 -7.630 685 1HB ASN 89 1HB ASN 89 2.274 -4.880 -9.025 686 2HB ASN 89 2HB ASN 89 2.983 -3.395 -8.424 687 1HD2 ASN 89 2HD2 ASN 89 4.554 -3.719 -11.645 688 2HD2 ASN 89 1HD2 ASN 89 3.076 -3.239 -10.880 689 H LYS 90 H LYS 90 5.091 -2.987 -7.381 690 HA LYS 90 HA LYS 90 4.895 -2.570 -4.566 691 1HB LYS 90 1HB LYS 90 6.322 -1.374 -6.863 692 2HB LYS 90 2HB LYS 90 5.922 -0.252 -5.580 693 1HG LYS 90 1HG LYS 90 7.184 -1.433 -3.962 694 2HG LYS 90 2HG LYS 90 7.122 -2.937 -4.861 695 1HD LYS 90 1HD LYS 90 8.522 -0.555 -6.096 696 2HD LYS 90 2HD LYS 90 9.341 -1.455 -4.835 697 1HE LYS 90 1HE LYS 90 9.591 -3.354 -6.148 698 2HE LYS 90 2HE LYS 90 8.081 -3.102 -6.999 699 1HZ LYS 90 2HZ LYS 90 9.624 -0.991 -7.712 700 2HZ LYS 90 3HZ LYS 90 10.675 -2.241 -7.700 701 3HZ LYS 90 1HZ LYS 90 9.328 -2.315 -8.621 702 H ILE 91 H ILE 91 4.262 -0.296 -3.809 703 HA ILE 91 HA ILE 91 1.557 0.270 -4.909 704 HB ILE 91 HB ILE 91 1.637 -0.471 -2.560 705 1HG1 ILE 91 1HG1 ILE 91 1.133 2.476 -2.325 706 2HG1 ILE 91 2HG1 ILE 91 0.204 1.580 -3.551 707 1HG2 ILE 91 1HG2 ILE 91 4.035 0.608 -2.337 708 2HG2 ILE 91 2HG2 ILE 91 3.127 2.061 -1.861 709 3HG2 ILE 91 3HG2 ILE 91 2.956 0.559 -0.922 710 1HD1 ILE 91 3HD1 ILE 91 0.303 0.063 -1.080 711 2HD1 ILE 91 1HD1 ILE 91 -0.298 1.707 -0.760 712 3HD1 ILE 91 2HD1 ILE 91 -1.116 0.678 -1.961 No H/Q in entry = 712 Start of MODEL 2 1 1H MET 1 H MET 1 15.540 1.854 7.769 2 2H MET 1 2HN MET 1 16.520 0.773 8.553 3 3H MET 1 3HN MET 1 17.156 1.793 7.414 4 HA MET 1 HA MET 1 16.429 0.644 5.685 5 1HB MET 1 1HB MET 1 17.223 -0.977 7.983 6 2HB MET 1 2HB MET 1 16.164 -1.879 6.871 7 1HG MET 1 1HG MET 1 17.736 -1.958 5.262 8 2HG MET 1 2HG MET 1 18.146 -0.246 5.462 9 1HE MET 1 3HE MET 1 19.633 0.733 6.517 10 2HE MET 1 1HE MET 1 20.431 0.209 8.020 11 3HE MET 1 2HE MET 1 21.261 0.014 6.458 12 H LEU 2 H LEU 2 14.107 1.865 7.258 13 HA LEU 2 HA LEU 2 12.125 -0.219 6.674 14 1HB LEU 2 1HB LEU 2 12.464 0.970 9.009 15 2HB LEU 2 2HB LEU 2 11.502 2.231 8.263 16 HG LEU 2 HG LEU 2 10.360 -0.459 7.933 17 1HD1 LEU 2 1HD1 LEU 2 11.060 0.565 10.653 18 2HD1 LEU 2 2HD1 LEU 2 9.500 -0.258 10.418 19 3HD1 LEU 2 3HD1 LEU 2 11.018 -1.101 10.029 20 1HD2 LEU 2 3HD2 LEU 2 9.512 2.268 8.056 21 2HD2 LEU 2 1HD2 LEU 2 8.584 0.821 7.591 22 3HD2 LEU 2 2HD2 LEU 2 8.633 1.339 9.294 23 H VAL 3 H VAL 3 12.439 0.293 4.344 24 HA VAL 3 HA VAL 3 10.562 2.347 3.592 25 HB VAL 3 HB VAL 3 13.073 3.211 3.792 26 1HG1 VAL 3 3HG1 VAL 3 13.808 1.376 2.171 27 2HG1 VAL 3 1HG1 VAL 3 12.997 2.323 0.901 28 3HG1 VAL 3 2HG1 VAL 3 14.352 3.033 1.811 29 1HG2 VAL 3 2HG2 VAL 3 10.963 4.422 3.048 30 2HG2 VAL 3 3HG2 VAL 3 12.491 5.000 2.343 31 3HG2 VAL 3 1HG2 VAL 3 11.402 3.970 1.383 32 H ALA 4 H ALA 4 10.452 2.290 1.000 33 HA ALA 4 HA ALA 4 10.064 1.108 -0.834 34 1HB ALA 4 1HB ALA 4 12.442 -0.020 0.207 35 2HB ALA 4 2HB ALA 4 11.409 -1.396 -0.251 36 3HB ALA 4 3HB ALA 4 11.819 -0.150 -1.456 37 H LYS 5 H LYS 5 7.831 1.049 -0.110 38 HA LYS 5 HA LYS 5 7.066 -1.534 1.050 39 1HB LYS 5 1HB LYS 5 5.728 1.179 1.088 40 2HB LYS 5 2HB LYS 5 4.899 -0.293 1.551 41 1HG LYS 5 1HG LYS 5 7.496 -0.204 2.861 42 2HG LYS 5 2HG LYS 5 6.653 1.305 3.151 43 1HD LYS 5 1HD LYS 5 5.457 -1.469 3.622 44 2HD LYS 5 2HD LYS 5 6.147 -0.457 4.877 45 1HE LYS 5 1HE LYS 5 3.858 0.481 3.088 46 2HE LYS 5 2HE LYS 5 3.587 -0.346 4.610 47 1HZ LYS 5 1HZ LYS 5 4.907 1.390 5.680 48 2HZ LYS 5 2HZ LYS 5 5.048 2.178 4.257 49 3HZ LYS 5 3HZ LYS 5 3.579 1.994 4.946 50 H SER 6 H SER 6 4.741 -2.215 0.249 51 HA SER 6 HA SER 6 4.288 -1.479 -2.479 52 1HB SER 6 1HB SER 6 5.937 -3.219 -2.843 53 2HB SER 6 2HB SER 6 5.166 -4.285 -1.686 54 HG SER 6 HG SER 6 4.710 -4.746 -4.002 55 H SER 7 H SER 7 2.293 -2.894 -3.326 56 HA SER 7 HA SER 7 0.589 -3.472 -1.038 57 1HB SER 7 1HB SER 7 -0.131 -1.300 -1.784 58 2HB SER 7 2HB SER 7 -0.044 -1.764 -3.472 59 HG SER 7 HG SER 7 -2.214 -1.788 -2.043 60 H ILE 8 H ILE 8 -1.122 -5.068 -1.486 61 HA ILE 8 HA ILE 8 -0.851 -6.446 -4.045 62 HB ILE 8 HB ILE 8 -0.596 -7.757 -1.335 63 1HG1 ILE 8 1HG1 ILE 8 1.537 -8.535 -2.914 64 2HG1 ILE 8 2HG1 ILE 8 1.337 -6.850 -3.353 65 1HG2 ILE 8 1HG2 ILE 8 -1.919 -8.852 -3.426 66 2HG2 ILE 8 2HG2 ILE 8 -0.254 -9.357 -3.800 67 3HG2 ILE 8 3HG2 ILE 8 -0.983 -9.786 -2.234 68 1HD1 ILE 8 1HD1 ILE 8 1.037 -6.727 -0.605 69 2HD1 ILE 8 2HD1 ILE 8 2.228 -8.037 -0.787 70 3HD1 ILE 8 3HD1 ILE 8 2.563 -6.430 -1.473 71 H LEU 9 H LEU 9 -2.828 -6.642 -4.938 72 HA LEU 9 HA LEU 9 -5.123 -6.279 -3.196 73 1HB LEU 9 1HB LEU 9 -4.805 -4.959 -5.283 74 2HB LEU 9 2HB LEU 9 -4.965 -6.438 -6.208 75 HG LEU 9 HG LEU 9 -7.263 -6.687 -5.033 76 1HD1 LEU 9 2HD1 LEU 9 -6.825 -4.906 -3.351 77 2HD1 LEU 9 3HD1 LEU 9 -6.882 -3.705 -4.663 78 3HD1 LEU 9 1HD1 LEU 9 -8.327 -4.669 -4.276 79 1HD2 LEU 9 1HD2 LEU 9 -6.595 -4.711 -7.208 80 2HD2 LEU 9 2HD2 LEU 9 -7.261 -6.357 -7.345 81 3HD2 LEU 9 3HD2 LEU 9 -8.276 -5.035 -6.720 82 H LEU 10 H LEU 10 -6.115 -8.000 -2.306 83 HA LEU 10 HA LEU 10 -5.676 -10.595 -3.557 84 1HB LEU 10 1HB LEU 10 -5.662 -9.688 -0.922 85 2HB LEU 10 2HB LEU 10 -7.169 -10.572 -1.065 86 HG LEU 10 HG LEU 10 -5.747 -12.474 -2.081 87 1HD1 LEU 10 1HD1 LEU 10 -3.737 -10.829 -2.262 88 2HD1 LEU 10 2HD1 LEU 10 -3.475 -11.244 -0.551 89 3HD1 LEU 10 3HD1 LEU 10 -3.454 -12.521 -1.790 90 1HD2 LEU 10 1HD2 LEU 10 -6.824 -12.332 0.227 91 2HD2 LEU 10 2HD2 LEU 10 -5.468 -13.468 0.029 92 3HD2 LEU 10 3HD2 LEU 10 -5.206 -11.901 0.832 93 H ASP 11 H ASP 11 -7.609 -12.124 -3.604 94 HA ASP 11 HA ASP 11 -10.115 -10.739 -3.862 95 1HB ASP 11 1HB ASP 11 -8.625 -11.018 -6.136 96 2HB ASP 11 2HB ASP 11 -9.431 -12.574 -6.136 97 H VAL 12 H VAL 12 -10.783 -12.111 -2.072 98 HA VAL 12 HA VAL 12 -10.546 -14.985 -2.471 99 HB VAL 12 HB VAL 12 -11.401 -13.275 -0.130 100 1HG1 VAL 12 1HG1 VAL 12 -11.199 -16.296 -0.362 101 2HG1 VAL 12 2HG1 VAL 12 -11.352 -15.407 1.173 102 3HG1 VAL 12 3HG1 VAL 12 -12.660 -15.333 -0.032 103 1HG2 VAL 12 1HG2 VAL 12 -8.916 -13.471 -0.910 104 2HG2 VAL 12 2HG2 VAL 12 -9.314 -13.674 0.813 105 3HG2 VAL 12 3HG2 VAL 12 -9.009 -15.103 -0.204 106 H LYS 13 H LYS 13 -12.457 -16.382 -2.228 107 HA LYS 13 HA LYS 13 -14.885 -14.974 -3.099 108 1HB LYS 13 1HB LYS 13 -13.463 -16.776 -4.569 109 2HB LYS 13 2HB LYS 13 -14.587 -17.846 -3.756 110 1HG LYS 13 1HG LYS 13 -16.368 -17.082 -4.963 111 2HG LYS 13 2HG LYS 13 -15.915 -15.404 -4.736 112 1HD LYS 13 1HD LYS 13 -14.330 -15.488 -6.577 113 2HD LYS 13 2HD LYS 13 -14.449 -17.232 -6.687 114 1HE LYS 13 1HE LYS 13 -17.122 -16.293 -6.937 115 2HE LYS 13 2HE LYS 13 -16.159 -15.189 -7.899 116 1HZ LYS 13 2HZ LYS 13 -15.378 -17.887 -8.269 117 2HZ LYS 13 3HZ LYS 13 -16.951 -17.657 -8.645 118 3HZ LYS 13 1HZ LYS 13 -15.796 -16.767 -9.382 119 HA PRO 14 HA PRO 14 -16.615 -16.573 0.534 120 1HB PRO 14 1HB PRO 14 -19.233 -15.933 0.082 121 2HB PRO 14 2HB PRO 14 -18.062 -14.789 0.705 122 1HG PRO 14 1HG PRO 14 -19.209 -14.974 -2.014 123 2HG PRO 14 2HG PRO 14 -18.386 -13.622 -1.258 124 1HD PRO 14 1HD PRO 14 -17.297 -15.420 -3.210 125 2HD PRO 14 2HD PRO 14 -16.442 -14.143 -2.370 126 H TRP 15 H TRP 15 -17.775 -18.315 1.456 127 HA TRP 15 HA TRP 15 -17.771 -20.555 -0.217 128 1HB TRP 15 1HB TRP 15 -18.381 -19.919 2.562 129 2HB TRP 15 2HB TRP 15 -19.430 -21.169 1.921 130 HD1 TRP 15 HD TRP 15 -16.488 -21.161 3.864 131 HE1 TRP 15 1HE TRP 15 -14.836 -23.187 3.500 132 HE3 TRP 15 3HE TRP 15 -18.404 -22.598 -0.622 133 HZ2 TRP 15 2HZ TRP 15 -14.523 -25.119 1.423 134 HZ3 TRP 15 3HZ TRP 15 -17.367 -24.563 -1.751 135 HH2 TRP 15 HH TRP 15 -15.491 -25.810 -0.800 136 H ASP 16 H ASP 16 -20.093 -17.983 0.412 137 HA ASP 16 HA ASP 16 -21.638 -18.505 -1.725 138 1HB ASP 16 1HB ASP 16 -22.187 -20.423 0.336 139 2HB ASP 16 2HB ASP 16 -23.552 -19.325 0.307 140 H ASP 17 H ASP 17 -24.185 -17.635 -1.016 141 HA ASP 17 HA ASP 17 -23.751 -15.008 -0.316 142 1HB ASP 17 1HB ASP 17 -26.013 -14.749 -0.726 143 2HB ASP 17 2HB ASP 17 -25.791 -16.325 -1.461 144 H GLU 18 H GLU 18 -23.944 -17.888 1.596 145 HA GLU 18 HA GLU 18 -25.130 -16.732 3.886 146 1HB GLU 18 1HB GLU 18 -24.618 -18.836 4.969 147 2HB GLU 18 2HB GLU 18 -25.147 -19.191 3.338 148 1HG GLU 18 1HG GLU 18 -22.749 -19.349 2.606 149 2HG GLU 18 2HG GLU 18 -22.235 -19.025 4.250 150 H THR 19 H THR 19 -21.825 -17.119 2.601 151 HA THR 19 HA THR 19 -20.483 -16.504 5.019 152 HB THR 19 HB THR 19 -19.788 -16.571 2.053 153 HG1 THR 19 1HG THR 19 -19.171 -17.968 4.555 154 1HG2 THR 19 2HG2 THR 19 -18.399 -14.930 3.824 155 2HG2 THR 19 3HG2 THR 19 -17.564 -16.489 4.026 156 3HG2 THR 19 1HG2 THR 19 -17.670 -15.738 2.415 157 H ASP 20 H ASP 20 -21.503 -14.716 5.991 158 HA ASP 20 HA ASP 20 -22.284 -12.436 4.942 159 1HB ASP 20 1HB ASP 20 -21.458 -13.321 7.495 160 2HB ASP 20 2HB ASP 20 -20.512 -11.870 7.225 161 H MET 21 H MET 21 -21.344 -10.859 3.630 162 HA MET 21 HA MET 21 -18.568 -11.028 3.088 163 1HB MET 21 1HB MET 21 -20.599 -8.881 2.263 164 2HB MET 21 2HB MET 21 -19.077 -9.219 1.461 165 1HG MET 21 1HG MET 21 -21.393 -11.202 1.693 166 2HG MET 21 2HG MET 21 -21.049 -10.236 0.274 167 1HE MET 21 2HE MET 21 -18.737 -10.141 -0.814 168 2HE MET 21 3HE MET 21 -17.966 -11.675 -1.285 169 3HE MET 21 1HE MET 21 -19.669 -11.367 -1.706 170 H ALA 22 H ALA 22 -20.683 -9.027 5.121 171 HA ALA 22 HA ALA 22 -18.957 -6.846 5.448 172 1HB ALA 22 2HB ALA 22 -21.376 -7.990 6.751 173 2HB ALA 22 3HB ALA 22 -20.377 -6.927 7.770 174 3HB ALA 22 1HB ALA 22 -21.035 -6.322 6.232 175 H LYS 23 H LYS 23 -19.396 -9.924 7.308 176 HA LYS 23 HA LYS 23 -17.419 -9.286 9.212 177 1HB LYS 23 1HB LYS 23 -18.938 -11.748 8.417 178 2HB LYS 23 2HB LYS 23 -17.546 -11.911 9.469 179 1HG LYS 23 1HG LYS 23 -19.102 -9.673 10.418 180 2HG LYS 23 2HG LYS 23 -20.205 -11.006 10.142 181 1HD LYS 23 1HD LYS 23 -18.988 -12.464 11.627 182 2HD LYS 23 2HD LYS 23 -17.595 -11.401 11.658 183 1HE LYS 23 1HE LYS 23 -20.223 -10.258 12.588 184 2HE LYS 23 2HE LYS 23 -19.437 -11.420 13.638 185 1HZ LYS 23 2HZ LYS 23 -17.401 -10.015 13.339 186 2HZ LYS 23 3HZ LYS 23 -18.362 -8.872 12.678 187 3HZ LYS 23 1HZ LYS 23 -18.601 -9.348 14.221 188 H LEU 24 H LEU 24 -17.403 -11.339 6.223 189 HA LEU 24 HA LEU 24 -14.782 -12.160 6.386 190 1HB LEU 24 1HB LEU 24 -16.913 -12.341 4.588 191 2HB LEU 24 2HB LEU 24 -15.617 -11.605 3.665 192 HG LEU 24 HG LEU 24 -15.582 -14.273 5.089 193 1HD1 LEU 24 1HD1 LEU 24 -16.503 -13.662 2.603 194 2HD1 LEU 24 2HD1 LEU 24 -14.803 -14.058 2.254 195 3HD1 LEU 24 3HD1 LEU 24 -15.840 -15.244 3.081 196 1HD2 LEU 24 1HD2 LEU 24 -13.320 -12.568 4.149 197 2HD2 LEU 24 2HD2 LEU 24 -13.420 -13.693 5.526 198 3HD2 LEU 24 3HD2 LEU 24 -13.224 -14.324 3.873 199 H GLU 25 H GLU 25 -16.183 -9.091 5.139 200 HA GLU 25 HA GLU 25 -13.727 -8.172 4.136 201 1HB GLU 25 1HB GLU 25 -15.901 -7.325 3.328 202 2HB GLU 25 2HB GLU 25 -16.262 -6.665 4.911 203 1HG GLU 25 1HG GLU 25 -14.005 -5.344 4.638 204 2HG GLU 25 2HG GLU 25 -14.138 -5.755 2.939 205 H GLU 26 H GLU 26 -15.671 -7.196 7.058 206 HA GLU 26 HA GLU 26 -13.811 -5.506 8.109 207 1HB GLU 26 1HB GLU 26 -15.846 -7.293 9.506 208 2HB GLU 26 2HB GLU 26 -14.952 -6.033 10.330 209 1HG GLU 26 1HG GLU 26 -16.550 -5.435 7.810 210 2HG GLU 26 2HG GLU 26 -17.315 -5.446 9.387 211 H CYS 27 H CYS 27 -14.296 -9.031 8.868 212 HA CYS 27 HA CYS 27 -12.407 -9.422 10.711 213 1HB CYS 27 1HB CYS 27 -13.944 -11.141 9.649 214 2HB CYS 27 2HB CYS 27 -12.767 -11.303 8.360 215 HG CYS 27 HG CYS 27 -11.680 -11.290 11.437 216 H VAL 28 H VAL 28 -11.849 -9.609 7.112 217 HA VAL 28 HA VAL 28 -9.184 -10.006 7.067 218 HB VAL 28 HB VAL 28 -11.083 -8.466 5.343 219 1HG1 VAL 28 3HG1 VAL 28 -8.073 -8.540 5.026 220 2HG1 VAL 28 1HG1 VAL 28 -9.176 -8.276 3.654 221 3HG1 VAL 28 2HG1 VAL 28 -9.157 -7.128 5.015 222 1HG2 VAL 28 3HG2 VAL 28 -10.143 -11.151 5.532 223 2HG2 VAL 28 1HG2 VAL 28 -11.302 -10.460 4.372 224 3HG2 VAL 28 2HG2 VAL 28 -9.565 -10.481 3.988 225 H ARG 29 H ARG 29 -10.842 -6.788 7.347 226 HA ARG 29 HA ARG 29 -8.493 -5.353 7.517 227 1HB ARG 29 1HB ARG 29 -11.302 -4.840 7.642 228 2HB ARG 29 2HB ARG 29 -10.628 -4.132 9.097 229 1HG ARG 29 1HG ARG 29 -8.995 -3.596 6.681 230 2HG ARG 29 2HG ARG 29 -10.622 -2.956 6.566 231 1HD ARG 29 1HD ARG 29 -9.976 -2.202 9.137 232 2HD ARG 29 2HD ARG 29 -8.392 -2.154 8.388 233 HE ARG 29 HE ARG 29 -9.056 -0.229 7.258 234 1HH1 ARG 29 2HH2 ARG 29 -11.933 -2.080 8.085 235 2HH1 ARG 29 1HH2 ARG 29 -13.031 -0.894 7.465 236 1HH2 ARG 29 2HH1 ARG 29 -10.505 1.338 6.440 237 2HH2 ARG 29 1HH1 ARG 29 -12.214 1.065 6.522 238 H SER 30 H SER 30 -10.402 -7.160 9.922 239 HA SER 30 HA SER 30 -9.329 -5.971 12.191 240 1HB SER 30 1HB SER 30 -10.559 -7.542 13.347 241 2HB SER 30 2HB SER 30 -11.336 -7.702 11.784 242 HG SER 30 HG SER 30 -10.115 -9.566 11.337 243 H ILE 31 H ILE 31 -8.068 -8.289 9.869 244 HA ILE 31 HA ILE 31 -6.195 -9.554 11.544 245 HB ILE 31 HB ILE 31 -6.216 -9.142 8.553 246 1HG1 ILE 31 1HG1 ILE 31 -8.225 -10.286 9.628 247 2HG1 ILE 31 2HG1 ILE 31 -7.399 -11.153 8.349 248 1HG2 ILE 31 3HG2 ILE 31 -4.484 -10.796 10.368 249 2HG2 ILE 31 1HG2 ILE 31 -4.833 -11.335 8.709 250 3HG2 ILE 31 2HG2 ILE 31 -4.029 -9.771 8.987 251 1HD1 ILE 31 2HD1 ILE 31 -6.150 -11.770 10.907 252 2HD1 ILE 31 3HD1 ILE 31 -7.904 -12.063 10.990 253 3HD1 ILE 31 1HD1 ILE 31 -6.924 -12.873 9.744 254 H GLN 32 H GLN 32 -4.238 -8.910 12.315 255 HA GLN 32 HA GLN 32 -3.186 -6.448 11.156 256 1HB GLN 32 1HB GLN 32 -4.067 -6.925 13.851 257 2HB GLN 32 2HB GLN 32 -2.325 -6.733 13.894 258 1HG GLN 32 1HG GLN 32 -2.412 -4.554 12.915 259 2HG GLN 32 2HG GLN 32 -4.040 -4.791 12.310 260 1HE2 GLN 32 2HE2 GLN 32 -4.961 -2.729 15.006 261 2HE2 GLN 32 1HE2 GLN 32 -4.619 -2.830 13.311 262 H ALA 33 H ALA 33 -0.742 -6.181 11.655 263 HA ALA 33 HA ALA 33 0.792 -8.392 12.403 264 1HB ALA 33 1HB ALA 33 -0.343 -8.799 9.912 265 2HB ALA 33 2HB ALA 33 1.244 -8.105 9.505 266 3HB ALA 33 3HB ALA 33 1.145 -9.574 10.505 267 H ASP 34 H ASP 34 3.140 -7.942 12.091 268 HA ASP 34 HA ASP 34 3.637 -5.249 12.538 269 1HB ASP 34 1HB ASP 34 5.039 -7.176 13.350 270 2HB ASP 34 2HB ASP 34 5.574 -7.462 11.706 271 H GLY 35 H GLY 35 4.808 -3.698 11.159 272 1HA GLY 35 1HA GLY 35 5.158 -2.624 9.213 273 2HA GLY 35 2HA GLY 35 5.870 -4.130 8.668 274 H LEU 36 H LEU 36 2.487 -4.189 9.656 275 HA LEU 36 HA LEU 36 1.764 -4.466 6.829 276 1HB LEU 36 1HB LEU 36 1.479 -6.403 8.419 277 2HB LEU 36 2HB LEU 36 0.255 -5.461 9.245 278 HG LEU 36 HG LEU 36 -0.539 -5.371 6.573 279 1HD1 LEU 36 3HD1 LEU 36 1.223 -7.557 6.810 280 2HD1 LEU 36 1HD1 LEU 36 -0.421 -8.239 6.789 281 3HD1 LEU 36 2HD1 LEU 36 0.118 -7.177 5.467 282 1HD2 LEU 36 1HD2 LEU 36 -1.729 -5.799 8.908 283 2HD2 LEU 36 2HD2 LEU 36 -2.482 -6.259 7.363 284 3HD2 LEU 36 3HD2 LEU 36 -1.658 -7.489 8.351 285 H VAL 37 H VAL 37 0.470 -2.967 5.887 286 HA VAL 37 HA VAL 37 -1.042 -1.216 7.689 287 HB VAL 37 HB VAL 37 0.777 -0.470 5.404 288 1HG1 VAL 37 1HG1 VAL 37 -1.667 0.891 6.391 289 2HG1 VAL 37 2HG1 VAL 37 -0.228 1.921 6.198 290 3HG1 VAL 37 3HG1 VAL 37 -0.851 0.992 4.813 291 1HG2 VAL 37 3HG2 VAL 37 1.374 -0.663 8.019 292 2HG2 VAL 37 1HG2 VAL 37 2.099 0.559 6.948 293 3HG2 VAL 37 2HG2 VAL 37 0.728 0.996 7.996 294 H TRP 38 H TRP 38 -3.165 -1.533 7.286 295 HA TRP 38 HA TRP 38 -4.013 -2.785 4.878 296 1HB TRP 38 1HB TRP 38 -5.307 -1.758 7.362 297 2HB TRP 38 2HB TRP 38 -6.312 -2.010 5.948 298 HD1 TRP 38 HD TRP 38 -5.323 -3.861 8.896 299 HE1 TRP 38 1HE TRP 38 -5.507 -6.484 8.672 300 HE3 TRP 38 3HE TRP 38 -5.654 -3.931 3.822 301 HZ2 TRP 38 2HZ TRP 38 -5.764 -8.254 6.449 302 HZ3 TRP 38 3HZ TRP 38 -5.869 -6.148 2.703 303 HH2 TRP 38 HH TRP 38 -5.926 -8.261 3.932 304 H GLY 39 H GLY 39 -6.217 -1.516 3.944 305 1HA GLY 39 1HA GLY 39 -5.607 1.310 3.531 306 2HA GLY 39 2HA GLY 39 -5.522 0.266 2.125 307 H SER 40 H SER 40 -7.420 -0.532 1.154 308 HA SER 40 HA SER 40 -9.891 -0.222 2.556 309 1HB SER 40 1HB SER 40 -9.231 1.441 0.094 310 2HB SER 40 2HB SER 40 -10.880 1.124 0.595 311 HG SER 40 HG SER 40 -8.872 2.710 1.861 312 H SER 41 H SER 41 -11.370 -1.779 1.849 313 HA SER 41 HA SER 41 -10.389 -3.483 -0.259 314 1HB SER 41 1HB SER 41 -12.155 -5.059 0.546 315 2HB SER 41 2HB SER 41 -11.051 -4.577 1.819 316 HG SER 41 HG SER 41 -13.702 -3.508 1.341 317 H LYS 42 H LYS 42 -11.983 -4.328 -1.925 318 HA LYS 42 HA LYS 42 -14.051 -2.324 -2.500 319 1HB LYS 42 1HB LYS 42 -12.460 -3.670 -4.676 320 2HB LYS 42 2HB LYS 42 -13.450 -2.226 -4.765 321 1HG LYS 42 1HG LYS 42 -11.490 -1.688 -2.765 322 2HG LYS 42 2HG LYS 42 -10.626 -2.473 -4.073 323 1HD LYS 42 1HD LYS 42 -12.414 -0.009 -4.315 324 2HD LYS 42 2HD LYS 42 -10.666 -0.034 -4.435 325 1HE LYS 42 1HE LYS 42 -11.892 -1.956 -6.295 326 2HE LYS 42 2HE LYS 42 -12.504 -0.335 -6.559 327 1HZ LYS 42 1HZ LYS 42 -9.674 -0.481 -6.153 328 2HZ LYS 42 2HZ LYS 42 -10.195 -1.234 -7.505 329 3HZ LYS 42 3HZ LYS 42 -10.525 0.349 -7.273 330 H LEU 43 H LEU 43 -15.841 -3.179 -3.875 331 HA LEU 43 HA LEU 43 -16.156 -6.066 -3.424 332 1HB LEU 43 1HB LEU 43 -17.885 -3.771 -2.778 333 2HB LEU 43 2HB LEU 43 -18.701 -5.107 -3.565 334 HG LEU 43 HG LEU 43 -18.950 -5.454 -1.246 335 1HD1 LEU 43 2HD1 LEU 43 -17.975 -7.377 -2.795 336 2HD1 LEU 43 3HD1 LEU 43 -16.623 -7.282 -1.641 337 3HD1 LEU 43 1HD1 LEU 43 -18.269 -7.622 -1.057 338 1HD2 LEU 43 2HD2 LEU 43 -16.023 -4.760 -1.044 339 2HD2 LEU 43 3HD2 LEU 43 -17.418 -4.005 -0.235 340 3HD2 LEU 43 1HD2 LEU 43 -16.877 -5.629 0.255 341 H VAL 44 H VAL 44 -17.432 -7.219 -5.052 342 HA VAL 44 HA VAL 44 -17.969 -5.809 -7.508 343 HB VAL 44 HB VAL 44 -15.685 -7.720 -7.164 344 1HG1 VAL 44 1HG1 VAL 44 -17.148 -8.772 -8.836 345 2HG1 VAL 44 2HG1 VAL 44 -17.183 -7.255 -9.766 346 3HG1 VAL 44 3HG1 VAL 44 -15.655 -8.150 -9.579 347 1HG2 VAL 44 3HG2 VAL 44 -16.112 -5.071 -8.568 348 2HG2 VAL 44 1HG2 VAL 44 -15.024 -5.444 -7.210 349 3HG2 VAL 44 2HG2 VAL 44 -14.670 -6.082 -8.833 350 HA PRO 45 HA PRO 45 -20.966 -8.980 -6.859 351 1HB PRO 45 1HB PRO 45 -22.996 -7.767 -8.228 352 2HB PRO 45 2HB PRO 45 -22.695 -7.498 -6.523 353 1HG PRO 45 1HG PRO 45 -22.116 -5.719 -8.811 354 2HG PRO 45 2HG PRO 45 -22.223 -5.318 -7.108 355 1HD PRO 45 1HD PRO 45 -19.825 -5.620 -8.653 356 2HD PRO 45 2HD PRO 45 -19.931 -5.335 -6.928 357 H VAL 46 H VAL 46 -21.391 -10.846 -7.917 358 HA VAL 46 HA VAL 46 -20.742 -10.695 -10.779 359 HB VAL 46 HB VAL 46 -20.355 -12.848 -8.704 360 1HG1 VAL 46 3HG1 VAL 46 -21.051 -13.233 -11.452 361 2HG1 VAL 46 1HG1 VAL 46 -19.344 -13.689 -11.238 362 3HG1 VAL 46 2HG1 VAL 46 -20.602 -14.450 -10.233 363 1HG2 VAL 46 2HG2 VAL 46 -18.691 -10.822 -9.558 364 2HG2 VAL 46 3HG2 VAL 46 -18.167 -12.344 -8.796 365 3HG2 VAL 46 1HG2 VAL 46 -18.179 -12.194 -10.570 366 H GLY 47 H GLY 47 -22.503 -13.043 -8.643 367 1HA GLY 47 1HA GLY 47 -24.960 -12.519 -10.148 368 2HA GLY 47 2HA GLY 47 -24.279 -14.132 -10.230 369 H TYR 48 H TYR 48 -26.866 -13.383 -9.069 370 HA TYR 48 HA TYR 48 -28.107 -13.712 -7.259 371 1HB TYR 48 1HB TYR 48 -25.948 -15.699 -7.397 372 2HB TYR 48 2HB TYR 48 -26.306 -15.386 -5.709 373 HD1 TYR 48 2HD TYR 48 -28.923 -15.392 -5.123 374 HD2 TYR 48 1HD TYR 48 -27.153 -17.362 -8.484 375 HE1 TYR 48 2HE TYR 48 -30.916 -16.964 -5.261 376 HE2 TYR 48 1HE TYR 48 -29.152 -18.928 -8.609 377 HH TYR 48 HH TYR 48 -30.985 -19.679 -6.497 378 H GLY 49 H GLY 49 -27.434 -14.287 -4.525 379 1HA GLY 49 1HA GLY 49 -26.719 -11.623 -3.677 380 2HA GLY 49 2HA GLY 49 -27.244 -12.965 -2.679 381 H ILE 50 H ILE 50 -24.480 -12.596 -5.016 382 HA ILE 50 HA ILE 50 -22.687 -13.155 -2.762 383 HB ILE 50 HB ILE 50 -22.713 -14.403 -5.504 384 1HG1 ILE 50 1HG1 ILE 50 -22.415 -15.934 -2.956 385 2HG1 ILE 50 2HG1 ILE 50 -23.991 -15.256 -3.312 386 1HG2 ILE 50 1HG2 ILE 50 -20.477 -14.318 -3.467 387 2HG2 ILE 50 2HG2 ILE 50 -20.577 -15.518 -4.776 388 3HG2 ILE 50 3HG2 ILE 50 -20.440 -13.786 -5.165 389 1HD1 ILE 50 2HD1 ILE 50 -23.237 -16.339 -5.772 390 2HD1 ILE 50 3HD1 ILE 50 -22.588 -17.509 -4.597 391 3HD1 ILE 50 1HD1 ILE 50 -24.322 -17.109 -4.590 392 H LYS 51 H LYS 51 -20.414 -12.393 -3.181 393 HA LYS 51 HA LYS 51 -20.162 -10.402 -5.253 394 1HB LYS 51 1HB LYS 51 -20.522 -9.700 -2.365 395 2HB LYS 51 2HB LYS 51 -19.364 -8.779 -3.304 396 1HG LYS 51 1HG LYS 51 -21.066 -7.578 -4.190 397 2HG LYS 51 2HG LYS 51 -21.667 -9.029 -4.965 398 1HD LYS 51 1HD LYS 51 -22.972 -9.602 -2.922 399 2HD LYS 51 2HD LYS 51 -22.340 -8.185 -2.106 400 1HE LYS 51 1HE LYS 51 -23.696 -6.723 -3.282 401 2HE LYS 51 2HE LYS 51 -23.616 -7.661 -4.760 402 1HZ LYS 51 3HZ LYS 51 -25.168 -8.419 -2.381 403 2HZ LYS 51 1HZ LYS 51 -25.788 -7.747 -3.735 404 3HZ LYS 51 2HZ LYS 51 -25.125 -9.239 -3.792 405 H LYS 52 H LYS 52 -17.855 -9.439 -5.163 406 HA LYS 52 HA LYS 52 -16.084 -11.677 -4.675 407 1HB LYS 52 1HB LYS 52 -16.248 -9.542 -6.570 408 2HB LYS 52 2HB LYS 52 -14.725 -9.387 -5.719 409 1HG LYS 52 1HG LYS 52 -14.134 -11.719 -6.230 410 2HG LYS 52 2HG LYS 52 -15.716 -12.011 -6.927 411 1HD LYS 52 1HD LYS 52 -14.806 -9.760 -8.336 412 2HD LYS 52 2HD LYS 52 -13.351 -10.715 -8.130 413 1HE LYS 52 1HE LYS 52 -14.886 -12.737 -8.908 414 2HE LYS 52 2HE LYS 52 -15.924 -11.476 -9.541 415 1HZ LYS 52 1HZ LYS 52 -13.384 -10.808 -10.303 416 2HZ LYS 52 2HZ LYS 52 -13.490 -12.416 -10.566 417 3HZ LYS 52 3HZ LYS 52 -14.569 -11.403 -11.257 418 H LEU 53 H LEU 53 -14.669 -11.843 -2.999 419 HA LEU 53 HA LEU 53 -14.752 -9.695 -1.048 420 1HB LEU 53 1HB LEU 53 -14.595 -12.533 -0.977 421 2HB LEU 53 2HB LEU 53 -13.130 -11.905 -0.249 422 HG LEU 53 HG LEU 53 -15.203 -12.382 1.235 423 1HD1 LEU 53 2HD1 LEU 53 -13.292 -10.100 1.336 424 2HD1 LEU 53 3HD1 LEU 53 -14.631 -10.109 2.509 425 3HD1 LEU 53 1HD1 LEU 53 -13.500 -11.481 2.439 426 1HD2 LEU 53 1HD2 LEU 53 -16.442 -10.643 -0.494 427 2HD2 LEU 53 2HD2 LEU 53 -17.027 -11.093 1.125 428 3HD2 LEU 53 3HD2 LEU 53 -16.080 -9.602 0.904 429 H GLN 54 H GLN 54 -13.566 -8.301 -2.724 430 HA GLN 54 HA GLN 54 -10.763 -8.989 -2.869 431 1HB GLN 54 1HB GLN 54 -11.637 -8.279 -4.971 432 2HB GLN 54 2HB GLN 54 -12.514 -6.939 -4.260 433 1HG GLN 54 1HG GLN 54 -10.675 -5.561 -4.255 434 2HG GLN 54 2HG GLN 54 -9.586 -6.843 -3.759 435 1HE2 GLN 54 2HE2 GLN 54 -10.164 -5.855 -7.697 436 2HE2 GLN 54 1HE2 GLN 54 -11.088 -5.177 -6.400 437 H ILE 55 H ILE 55 -9.093 -7.710 -1.951 438 HA ILE 55 HA ILE 55 -9.887 -5.350 -0.465 439 HB ILE 55 HB ILE 55 -9.562 -6.112 1.605 440 1HG1 ILE 55 1HG1 ILE 55 -7.139 -6.489 1.176 441 2HG1 ILE 55 2HG1 ILE 55 -7.835 -7.592 2.346 442 1HG2 ILE 55 1HG2 ILE 55 -10.010 -8.750 0.185 443 2HG2 ILE 55 2HG2 ILE 55 -10.220 -8.471 1.930 444 3HG2 ILE 55 3HG2 ILE 55 -11.256 -7.617 0.761 445 1HD1 ILE 55 3HD1 ILE 55 -7.428 -8.239 -0.612 446 2HD1 ILE 55 1HD1 ILE 55 -6.352 -8.760 0.707 447 3HD1 ILE 55 2HD1 ILE 55 -8.026 -9.359 0.635 448 H GLN 56 H GLN 56 -7.933 -4.123 0.306 449 HA GLN 56 HA GLN 56 -5.597 -4.853 -1.273 450 1HB GLN 56 1HB GLN 56 -6.716 -3.093 -2.522 451 2HB GLN 56 2HB GLN 56 -6.921 -2.117 -1.081 452 1HG GLN 56 1HG GLN 56 -4.100 -2.834 -1.473 453 2HG GLN 56 2HG GLN 56 -4.747 -2.031 -2.891 454 1HE2 GLN 56 2HE2 GLN 56 -3.641 0.094 0.284 455 2HE2 GLN 56 1HE2 GLN 56 -3.182 -1.531 -0.103 456 H CYS 57 H CYS 57 -3.561 -4.341 -0.316 457 HA CYS 57 HA CYS 57 -3.690 -3.065 2.298 458 1HB CYS 57 1HB CYS 57 -2.038 -4.879 3.103 459 2HB CYS 57 2HB CYS 57 -3.746 -5.268 3.057 460 HG CYS 57 HG CYS 57 -2.188 -5.655 0.254 461 H VAL 58 H VAL 58 -1.182 -2.838 3.051 462 HA VAL 58 HA VAL 58 0.446 -2.307 0.677 463 HB VAL 58 HB VAL 58 -0.113 -0.397 2.954 464 1HG1 VAL 58 1HG1 VAL 58 2.302 -0.499 2.135 465 2HG1 VAL 58 2HG1 VAL 58 1.694 0.118 0.580 466 3HG1 VAL 58 3HG1 VAL 58 1.501 1.088 2.061 467 1HG2 VAL 58 3HG2 VAL 58 -1.214 -0.722 0.264 468 2HG2 VAL 58 1HG2 VAL 58 -1.799 0.255 1.631 469 3HG2 VAL 58 2HG2 VAL 58 -0.551 0.906 0.541 470 H VAL 59 H VAL 59 1.620 -4.237 1.167 471 HA VAL 59 HA VAL 59 2.805 -4.446 3.792 472 HB VAL 59 HB VAL 59 3.414 -6.587 3.171 473 1HG1 VAL 59 1HG1 VAL 59 0.891 -6.084 3.101 474 2HG1 VAL 59 2HG1 VAL 59 1.039 -6.233 1.334 475 3HG1 VAL 59 3HG1 VAL 59 1.449 -7.613 2.381 476 1HG2 VAL 59 3HG2 VAL 59 3.401 -5.572 0.324 477 2HG2 VAL 59 1HG2 VAL 59 4.740 -6.290 1.251 478 3HG2 VAL 59 2HG2 VAL 59 3.391 -7.311 0.701 479 H GLU 60 H GLU 60 5.311 -5.159 3.658 480 HA GLU 60 HA GLU 60 6.575 -2.821 2.609 481 1HB GLU 60 1HB GLU 60 7.247 -4.988 4.538 482 2HB GLU 60 2HB GLU 60 8.614 -4.348 3.648 483 1HG GLU 60 1HG GLU 60 8.614 -2.758 5.306 484 2HG GLU 60 2HG GLU 60 7.391 -2.001 4.304 485 H ASP 61 H ASP 61 9.127 -3.654 1.882 486 HA ASP 61 HA ASP 61 8.594 -4.642 -0.704 487 1HB ASP 61 1HB ASP 61 10.365 -3.095 -0.630 488 2HB ASP 61 2HB ASP 61 11.022 -3.761 0.853 489 H ASP 62 H ASP 62 10.660 -5.766 2.090 490 HA ASP 62 HA ASP 62 10.134 -8.484 1.197 491 1HB ASP 62 1HB ASP 62 12.459 -7.741 0.558 492 2HB ASP 62 2HB ASP 62 12.796 -7.414 2.246 493 H LYS 63 H LYS 63 9.019 -6.594 3.326 494 HA LYS 63 HA LYS 63 9.960 -7.953 5.744 495 1HB LYS 63 1HB LYS 63 9.496 -5.247 5.179 496 2HB LYS 63 2HB LYS 63 8.130 -5.730 6.164 497 1HG LYS 63 1HG LYS 63 9.609 -5.274 7.877 498 2HG LYS 63 2HG LYS 63 10.065 -6.944 7.603 499 1HD LYS 63 1HD LYS 63 11.622 -5.611 5.720 500 2HD LYS 63 2HD LYS 63 11.584 -4.455 7.037 501 1HE LYS 63 1HE LYS 63 12.159 -6.506 8.577 502 2HE LYS 63 2HE LYS 63 12.597 -7.321 7.088 503 1HZ LYS 63 3HZ LYS 63 13.687 -4.713 7.886 504 2HZ LYS 63 1HZ LYS 63 14.435 -6.138 8.168 505 3HZ LYS 63 2HZ LYS 63 14.181 -5.637 6.634 506 H VAL 64 H VAL 64 7.096 -7.212 3.711 507 HA VAL 64 HA VAL 64 5.754 -9.446 5.018 508 HB VAL 64 HB VAL 64 4.667 -6.644 4.727 509 1HG1 VAL 64 2HG1 VAL 64 3.059 -8.446 3.942 510 2HG1 VAL 64 3HG1 VAL 64 3.078 -9.066 5.610 511 3HG1 VAL 64 1HG1 VAL 64 2.489 -7.420 5.279 512 1HG2 VAL 64 3HG2 VAL 64 6.012 -7.189 6.765 513 2HG2 VAL 64 1HG2 VAL 64 4.323 -6.745 7.112 514 3HG2 VAL 64 2HG2 VAL 64 4.823 -8.454 7.159 515 H GLY 65 H GLY 65 4.242 -10.532 3.643 516 1HA GLY 65 1HA GLY 65 4.309 -9.627 0.827 517 2HA GLY 65 2HA GLY 65 4.601 -11.293 1.284 518 H THR 66 H THR 66 2.873 -12.685 1.597 519 HA THR 66 HA THR 66 0.292 -11.722 2.326 520 HB THR 66 HB THR 66 0.936 -12.393 -0.578 521 HG1 THR 66 1HG THR 66 0.815 -10.169 -0.149 522 1HG2 THR 66 3HG2 THR 66 -1.684 -12.642 0.946 523 2HG2 THR 66 1HG2 THR 66 -1.684 -12.109 -0.751 524 3HG2 THR 66 2HG2 THR 66 -1.033 -13.708 -0.322 525 H ASP 67 H ASP 67 2.412 -13.662 3.141 526 HA ASP 67 HA ASP 67 1.156 -16.176 2.548 527 1HB ASP 67 1HB ASP 67 3.018 -17.070 4.040 528 2HB ASP 67 2HB ASP 67 3.560 -16.221 2.606 529 H MET 68 H MET 68 1.820 -13.925 5.306 530 HA MET 68 HA MET 68 0.545 -15.600 7.196 531 1HB MET 68 1HB MET 68 2.337 -13.541 7.344 532 2HB MET 68 2HB MET 68 0.872 -12.629 7.646 533 1HG MET 68 1HG MET 68 0.409 -14.692 9.349 534 2HG MET 68 2HG MET 68 2.160 -14.769 9.326 535 1HE MET 68 1HE MET 68 -0.703 -12.407 9.158 536 2HE MET 68 2HE MET 68 -0.898 -12.550 10.922 537 3HE MET 68 3HE MET 68 -0.300 -11.031 10.212 538 H LEU 69 H LEU 69 -0.320 -12.470 5.564 539 HA LEU 69 HA LEU 69 -2.774 -12.111 6.757 540 1HB LEU 69 1HB LEU 69 -1.719 -11.357 4.035 541 2HB LEU 69 2HB LEU 69 -3.299 -10.858 4.608 542 HG LEU 69 HG LEU 69 -0.647 -10.182 5.913 543 1HD1 LEU 69 3HD1 LEU 69 -2.248 -8.884 3.819 544 2HD1 LEU 69 1HD1 LEU 69 -1.816 -7.815 5.175 545 3HD1 LEU 69 2HD1 LEU 69 -0.540 -8.664 4.271 546 1HD2 LEU 69 3HD2 LEU 69 -3.305 -10.182 6.986 547 2HD2 LEU 69 1HD2 LEU 69 -1.775 -9.700 7.757 548 3HD2 LEU 69 2HD2 LEU 69 -2.728 -8.504 6.846 549 H GLU 70 H GLU 70 -1.742 -14.398 4.257 550 HA GLU 70 HA GLU 70 -4.378 -14.969 3.409 551 1HB GLU 70 1HB GLU 70 -2.482 -15.339 1.910 552 2HB GLU 70 2HB GLU 70 -1.737 -16.446 3.045 553 1HG GLU 70 1HG GLU 70 -4.041 -17.767 2.826 554 2HG GLU 70 2HG GLU 70 -4.198 -16.864 1.332 555 H GLU 71 H GLU 71 -1.917 -16.802 5.370 556 HA GLU 71 HA GLU 71 -3.608 -18.869 6.028 557 1HB GLU 71 1HB GLU 71 -1.895 -19.588 7.439 558 2HB GLU 71 2HB GLU 71 -1.014 -18.526 6.358 559 1HG GLU 71 1HG GLU 71 -1.233 -16.658 8.003 560 2HG GLU 71 2HG GLU 71 -2.135 -17.706 9.080 561 H GLN 72 H GLN 72 -3.762 -15.571 6.943 562 HA GLN 72 HA GLN 72 -5.072 -16.194 9.448 563 1HB GLN 72 1HB GLN 72 -4.336 -13.505 8.208 564 2HB GLN 72 2HB GLN 72 -5.032 -13.721 9.801 565 1HG GLN 72 1HG GLN 72 -2.694 -15.453 9.461 566 2HG GLN 72 2HG GLN 72 -2.278 -13.786 9.113 567 1HE2 GLN 72 2HE2 GLN 72 -2.113 -14.817 12.824 568 2HE2 GLN 72 1HE2 GLN 72 -1.700 -15.671 11.375 569 H ILE 73 H ILE 73 -5.651 -14.597 6.256 570 HA ILE 73 HA ILE 73 -8.391 -14.077 6.868 571 HB ILE 73 HB ILE 73 -6.754 -13.914 4.341 572 1HG1 ILE 73 1HG1 ILE 73 -7.936 -11.547 5.724 573 2HG1 ILE 73 2HG1 ILE 73 -6.559 -12.322 6.484 574 1HG2 ILE 73 2HG2 ILE 73 -9.682 -13.610 4.783 575 2HG2 ILE 73 3HG2 ILE 73 -8.878 -12.409 3.743 576 3HG2 ILE 73 1HG2 ILE 73 -8.780 -14.140 3.342 577 1HD1 ILE 73 2HD1 ILE 73 -5.931 -12.168 3.705 578 2HD1 ILE 73 3HD1 ILE 73 -6.608 -10.587 4.162 579 3HD1 ILE 73 1HD1 ILE 73 -5.200 -11.238 5.036 580 H THR 74 H THR 74 -6.632 -16.394 4.694 581 HA THR 74 HA THR 74 -9.022 -17.792 4.037 582 HB THR 74 HB THR 74 -7.502 -19.182 2.771 583 HG1 THR 74 1HG THR 74 -5.959 -19.734 4.353 584 1HG2 THR 74 1HG2 THR 74 -7.418 -16.544 2.306 585 2HG2 THR 74 2HG2 THR 74 -5.775 -16.701 2.974 586 3HG2 THR 74 3HG2 THR 74 -6.240 -17.628 1.526 587 H ALA 75 H ALA 75 -7.065 -17.696 6.858 588 HA ALA 75 HA ALA 75 -7.009 -20.287 7.716 589 1HB ALA 75 2HB ALA 75 -6.639 -17.681 8.781 590 2HB ALA 75 3HB ALA 75 -7.757 -18.522 9.883 591 3HB ALA 75 1HB ALA 75 -6.168 -19.234 9.512 592 H PHE 76 H PHE 76 -9.773 -18.158 7.220 593 HA PHE 76 HA PHE 76 -11.496 -19.870 8.801 594 1HB PHE 76 1HB PHE 76 -11.443 -17.161 7.577 595 2HB PHE 76 2HB PHE 76 -12.972 -17.963 7.279 596 HD1 PHE 76 2HD PHE 76 -13.469 -19.448 9.724 597 HD2 PHE 76 1HD PHE 76 -11.792 -15.581 9.224 598 HE1 PHE 76 2HE PHE 76 -14.250 -18.812 12.024 599 HE2 PHE 76 1HE PHE 76 -12.573 -14.946 11.524 600 HZ PHE 76 HZ PHE 76 -13.792 -16.569 12.895 601 H GLU 77 H GLU 77 -11.325 -21.856 7.564 602 HA GLU 77 HA GLU 77 -11.967 -21.806 4.811 603 1HB GLU 77 1HB GLU 77 -10.879 -23.668 6.684 604 2HB GLU 77 2HB GLU 77 -12.303 -24.430 6.005 605 1HG GLU 77 1HG GLU 77 -10.448 -23.026 4.092 606 2HG GLU 77 2HG GLU 77 -9.892 -24.536 4.787 607 H ASP 78 H ASP 78 -13.838 -21.308 7.542 608 HA ASP 78 HA ASP 78 -16.104 -22.785 6.528 609 1HB ASP 78 1HB ASP 78 -15.430 -21.338 9.092 610 2HB ASP 78 2HB ASP 78 -17.121 -21.541 8.683 611 H TYR 79 H TYR 79 -14.732 -20.216 5.364 612 HA TYR 79 HA TYR 79 -17.211 -18.802 4.880 613 1HB TYR 79 1HB TYR 79 -14.706 -17.773 6.312 614 2HB TYR 79 2HB TYR 79 -15.678 -16.649 5.382 615 HD1 TYR 79 2HD TYR 79 -18.168 -16.409 6.002 616 HD2 TYR 79 1HD TYR 79 -15.301 -18.337 8.526 617 HE1 TYR 79 2HE TYR 79 -19.708 -16.098 8.000 618 HE2 TYR 79 1HE TYR 79 -16.851 -18.019 10.515 619 HH TYR 79 HH TYR 79 -18.750 -17.282 11.214 620 H VAL 80 H VAL 80 -13.634 -19.020 4.398 621 HA VAL 80 HA VAL 80 -13.875 -17.744 1.820 622 HB VAL 80 HB VAL 80 -11.576 -18.905 3.398 623 1HG1 VAL 80 1HG1 VAL 80 -11.737 -18.393 0.567 624 2HG1 VAL 80 2HG1 VAL 80 -10.601 -17.247 1.319 625 3HG1 VAL 80 3HG1 VAL 80 -10.366 -18.998 1.527 626 1HG2 VAL 80 3HG2 VAL 80 -12.746 -16.186 3.020 627 2HG2 VAL 80 1HG2 VAL 80 -11.980 -16.920 4.450 628 3HG2 VAL 80 2HG2 VAL 80 -10.973 -16.310 3.114 629 H GLN 81 H GLN 81 -14.155 -18.778 -0.098 630 HA GLN 81 HA GLN 81 -14.392 -21.629 0.016 631 1HB GLN 81 1HB GLN 81 -16.044 -20.137 -1.181 632 2HB GLN 81 2HB GLN 81 -14.796 -19.744 -2.346 633 1HG GLN 81 1HG GLN 81 -14.649 -22.489 -2.387 634 2HG GLN 81 2HG GLN 81 -16.346 -22.277 -2.005 635 1HE2 GLN 81 2HE2 GLN 81 -16.256 -22.417 -5.635 636 2HE2 GLN 81 1HE2 GLN 81 -16.062 -23.438 -4.249 637 H SER 82 H SER 82 -12.258 -19.126 -1.407 638 HA SER 82 HA SER 82 -10.092 -20.812 -1.495 639 1HB SER 82 1HB SER 82 -11.704 -20.698 -4.045 640 2HB SER 82 2HB SER 82 -9.956 -20.766 -4.161 641 HG SER 82 HG SER 82 -10.334 -22.890 -4.027 642 H MET 83 H MET 83 -8.516 -19.294 -1.145 643 HA MET 83 HA MET 83 -8.987 -16.626 -2.088 644 1HB MET 83 1HB MET 83 -8.137 -16.874 0.184 645 2HB MET 83 2HB MET 83 -6.877 -17.978 -0.332 646 1HG MET 83 1HG MET 83 -6.925 -15.183 -1.497 647 2HG MET 83 2HG MET 83 -6.327 -15.405 0.135 648 1HE MET 83 1HE MET 83 -4.248 -15.039 0.299 649 2HE MET 83 2HE MET 83 -2.861 -15.856 -0.461 650 3HE MET 83 3HE MET 83 -3.648 -14.486 -1.283 651 H ASP 84 H ASP 84 -7.411 -15.388 -3.359 652 HA ASP 84 HA ASP 84 -5.358 -16.919 -4.646 653 1HB ASP 84 1HB ASP 84 -7.868 -15.975 -6.009 654 2HB ASP 84 2HB ASP 84 -6.370 -15.769 -6.893 655 H VAL 85 H VAL 85 -4.595 -15.119 -6.637 656 HA VAL 85 HA VAL 85 -4.225 -12.638 -5.113 657 HB VAL 85 HB VAL 85 -2.255 -14.138 -5.655 658 1HG1 VAL 85 3HG1 VAL 85 -2.973 -14.727 -7.957 659 2HG1 VAL 85 1HG1 VAL 85 -2.678 -13.044 -8.457 660 3HG1 VAL 85 2HG1 VAL 85 -1.325 -14.057 -7.899 661 1HG2 VAL 85 2HG2 VAL 85 -2.487 -11.386 -5.480 662 2HG2 VAL 85 3HG2 VAL 85 -0.968 -12.313 -5.434 663 3HG2 VAL 85 1HG2 VAL 85 -1.538 -11.617 -6.970 664 H ALA 86 H ALA 86 -4.530 -10.620 -6.153 665 HA ALA 86 HA ALA 86 -6.085 -10.845 -8.633 666 1HB ALA 86 1HB ALA 86 -6.641 -9.624 -6.153 667 2HB ALA 86 2HB ALA 86 -6.258 -8.286 -7.262 668 3HB ALA 86 3HB ALA 86 -7.551 -9.438 -7.671 669 H ALA 87 H ALA 87 -3.135 -9.705 -7.149 670 HA ALA 87 HA ALA 87 -1.922 -9.074 -9.532 671 1HB ALA 87 2HB ALA 87 -3.798 -7.101 -8.933 672 2HB ALA 87 3HB ALA 87 -2.268 -6.415 -8.337 673 3HB ALA 87 1HB ALA 87 -2.412 -6.928 -10.036 674 H PHE 88 H PHE 88 0.204 -7.806 -9.106 675 HA PHE 88 HA PHE 88 0.972 -7.706 -6.336 676 1HB PHE 88 1HB PHE 88 1.301 -10.074 -7.914 677 2HB PHE 88 2HB PHE 88 2.879 -9.315 -7.931 678 HD1 PHE 88 2HD PHE 88 0.225 -10.551 -5.653 679 HD2 PHE 88 1HD PHE 88 4.312 -9.489 -6.079 680 HE1 PHE 88 2HE PHE 88 0.711 -11.508 -3.384 681 HE2 PHE 88 1HE PHE 88 4.797 -10.448 -3.810 682 HZ PHE 88 HZ PHE 88 2.990 -11.445 -2.489 683 H ASN 89 H ASN 89 1.588 -5.551 -6.566 684 HA ASN 89 HA ASN 89 3.982 -5.186 -8.111 685 1HB ASN 89 1HB ASN 89 1.366 -3.728 -8.628 686 2HB ASN 89 2HB ASN 89 2.879 -2.883 -8.893 687 1HD2 ASN 89 2HD2 ASN 89 1.407 -5.409 -11.637 688 2HD2 ASN 89 1HD2 ASN 89 0.557 -4.779 -10.266 689 H LYS 90 H LYS 90 4.585 -2.592 -7.714 690 HA LYS 90 HA LYS 90 4.642 -2.345 -4.859 691 1HB LYS 90 1HB LYS 90 6.620 -1.896 -6.261 692 2HB LYS 90 2HB LYS 90 5.779 -0.573 -7.043 693 1HG LYS 90 1HG LYS 90 5.545 0.597 -4.859 694 2HG LYS 90 2HG LYS 90 6.327 -0.742 -4.041 695 1HD LYS 90 1HD LYS 90 8.174 0.631 -4.338 696 2HD LYS 90 2HD LYS 90 8.268 -0.281 -5.832 697 1HE LYS 90 1HE LYS 90 6.555 2.196 -5.845 698 2HE LYS 90 2HE LYS 90 8.292 2.426 -5.786 699 1HZ LYS 90 3HZ LYS 90 7.688 0.464 -7.674 700 2HZ LYS 90 1HZ LYS 90 6.765 1.777 -7.978 701 3HZ LYS 90 2HZ LYS 90 8.392 1.918 -7.909 702 H ILE 91 H ILE 91 4.184 -0.193 -3.855 703 HA ILE 91 HA ILE 91 1.658 0.926 -4.978 704 HB ILE 91 HB ILE 91 1.250 -0.417 -2.966 705 1HG1 ILE 91 1HG1 ILE 91 0.953 2.087 -1.576 706 2HG1 ILE 91 2HG1 ILE 91 0.651 2.360 -3.310 707 1HG2 ILE 91 3HG2 ILE 91 3.771 0.380 -2.203 708 2HG2 ILE 91 1HG2 ILE 91 2.748 1.412 -1.177 709 3HG2 ILE 91 2HG2 ILE 91 2.574 -0.358 -1.111 710 1HD1 ILE 91 3HD1 ILE 91 -0.745 0.104 -3.076 711 2HD1 ILE 91 1HD1 ILE 91 -0.812 0.589 -1.365 712 3HD1 ILE 91 2HD1 ILE 91 -1.461 1.670 -2.621 No H/Q in entry = 712 Start of MODEL 3 1 1H MET 1 3HN MET 1 15.304 -4.893 7.602 2 2H MET 1 H MET 1 14.982 -4.863 9.227 3 3H MET 1 2HN MET 1 13.834 -4.360 8.145 4 HA MET 1 HA MET 1 14.664 -2.432 9.015 5 1HB MET 1 1HB MET 1 17.049 -4.090 9.210 6 2HB MET 1 2HB MET 1 17.429 -2.506 8.494 7 1HG MET 1 1HG MET 1 15.686 -1.824 10.512 8 2HG MET 1 2HG MET 1 16.545 -3.197 11.229 9 1HE MET 1 1HE MET 1 16.966 -1.358 13.062 10 2HE MET 1 2HE MET 1 18.130 -0.022 12.905 11 3HE MET 1 3HE MET 1 16.525 0.103 12.147 12 H LEU 2 H LEU 2 13.980 -3.677 6.280 13 HA LEU 2 HA LEU 2 15.592 -1.909 4.600 14 1HB LEU 2 1HB LEU 2 14.772 -3.202 2.742 15 2HB LEU 2 2HB LEU 2 15.511 -4.239 3.946 16 HG LEU 2 HG LEU 2 12.594 -3.942 4.251 17 1HD1 LEU 2 2HD1 LEU 2 13.667 -4.429 1.619 18 2HD1 LEU 2 3HD1 LEU 2 12.791 -5.863 2.208 19 3HD1 LEU 2 1HD1 LEU 2 11.974 -4.283 2.148 20 1HD2 LEU 2 1HD2 LEU 2 13.915 -5.510 5.579 21 2HD2 LEU 2 2HD2 LEU 2 12.718 -6.363 4.576 22 3HD2 LEU 2 3HD2 LEU 2 14.431 -6.348 4.096 23 H VAL 3 H VAL 3 14.429 -0.619 2.917 24 HA VAL 3 HA VAL 3 11.909 0.367 4.055 25 HB VAL 3 HB VAL 3 14.157 1.750 3.734 26 1HG1 VAL 3 1HG1 VAL 3 14.031 1.183 1.207 27 2HG1 VAL 3 2HG1 VAL 3 12.765 2.432 1.145 28 3HG1 VAL 3 3HG1 VAL 3 14.407 2.855 1.688 29 1HG2 VAL 3 3HG2 VAL 3 11.484 2.337 4.221 30 2HG2 VAL 3 1HG2 VAL 3 12.860 3.451 4.398 31 3HG2 VAL 3 2HG2 VAL 3 11.921 3.431 2.886 32 H ALA 4 H ALA 4 10.668 1.613 2.065 33 HA ALA 4 HA ALA 4 9.713 1.464 0.039 34 1HB ALA 4 1HB ALA 4 12.036 0.379 -0.614 35 2HB ALA 4 2HB ALA 4 11.092 -1.130 -0.624 36 3HB ALA 4 3HB ALA 4 10.630 0.215 -1.694 37 H LYS 5 H LYS 5 7.591 0.915 0.032 38 HA LYS 5 HA LYS 5 6.920 -1.711 1.168 39 1HB LYS 5 1HB LYS 5 5.569 0.973 1.472 40 2HB LYS 5 2HB LYS 5 4.708 -0.527 1.751 41 1HG LYS 5 1HG LYS 5 7.266 -0.679 3.103 42 2HG LYS 5 2HG LYS 5 6.506 0.842 3.529 43 1HD LYS 5 1HD LYS 5 4.344 -0.575 3.942 44 2HD LYS 5 2HD LYS 5 5.407 -1.968 3.910 45 1HE LYS 5 1HE LYS 5 5.309 -1.388 6.212 46 2HE LYS 5 2HE LYS 5 6.840 -0.721 5.682 47 1HZ LYS 5 1HZ LYS 5 4.359 0.844 5.736 48 2HZ LYS 5 2HZ LYS 5 5.421 0.807 6.976 49 3HZ LYS 5 3HZ LYS 5 5.877 1.406 5.527 50 H SER 6 H SER 6 4.558 -2.349 0.373 51 HA SER 6 HA SER 6 4.038 -1.439 -2.283 52 1HB SER 6 1HB SER 6 5.721 -3.089 -2.830 53 2HB SER 6 2HB SER 6 5.025 -4.265 -1.733 54 HG SER 6 HG SER 6 3.352 -4.667 -3.129 55 H SER 7 H SER 7 2.034 -2.735 -3.188 56 HA SER 7 HA SER 7 0.414 -3.588 -0.921 57 1HB SER 7 1HB SER 7 -0.363 -1.372 -1.459 58 2HB SER 7 2HB SER 7 -0.326 -1.694 -3.182 59 HG SER 7 HG SER 7 -2.111 -3.103 -2.976 60 H ILE 8 H ILE 8 -1.250 -5.197 -1.451 61 HA ILE 8 HA ILE 8 -1.037 -6.327 -4.134 62 HB ILE 8 HB ILE 8 -0.705 -7.911 -1.584 63 1HG1 ILE 8 1HG1 ILE 8 1.535 -8.453 -2.839 64 2HG1 ILE 8 2HG1 ILE 8 1.238 -6.934 -3.660 65 1HG2 ILE 8 3HG2 ILE 8 -2.019 -8.959 -3.520 66 2HG2 ILE 8 1HG2 ILE 8 -0.471 -8.970 -4.398 67 3HG2 ILE 8 2HG2 ILE 8 -0.635 -9.866 -2.869 68 1HD1 ILE 8 3HD1 ILE 8 0.714 -6.387 -0.930 69 2HD1 ILE 8 1HD1 ILE 8 2.182 -7.396 -0.939 70 3HD1 ILE 8 2HD1 ILE 8 2.138 -5.879 -1.869 71 H LEU 9 H LEU 9 -3.044 -6.456 -4.970 72 HA LEU 9 HA LEU 9 -5.286 -6.259 -3.163 73 1HB LEU 9 1HB LEU 9 -5.057 -4.917 -5.251 74 2HB LEU 9 2HB LEU 9 -5.219 -6.395 -6.180 75 HG LEU 9 HG LEU 9 -7.470 -6.672 -4.864 76 1HD1 LEU 9 1HD1 LEU 9 -6.919 -3.712 -4.544 77 2HD1 LEU 9 2HD1 LEU 9 -8.529 -4.456 -4.388 78 3HD1 LEU 9 3HD1 LEU 9 -7.227 -4.911 -3.264 79 1HD2 LEU 9 3HD2 LEU 9 -6.883 -4.890 -7.210 80 2HD2 LEU 9 1HD2 LEU 9 -7.647 -6.497 -7.162 81 3HD2 LEU 9 2HD2 LEU 9 -8.549 -5.067 -6.606 82 H LEU 10 H LEU 10 -5.957 -8.077 -2.149 83 HA LEU 10 HA LEU 10 -5.546 -10.628 -3.440 84 1HB LEU 10 1HB LEU 10 -6.379 -9.691 -0.721 85 2HB LEU 10 2HB LEU 10 -6.736 -11.334 -1.213 86 HG LEU 10 HG LEU 10 -4.255 -11.589 -1.740 87 1HD1 LEU 10 1HD1 LEU 10 -4.289 -8.803 -0.995 88 2HD1 LEU 10 2HD1 LEU 10 -3.204 -9.720 0.077 89 3HD1 LEU 10 3HD1 LEU 10 -2.972 -9.780 -1.686 90 1HD2 LEU 10 1HD2 LEU 10 -5.558 -12.365 0.353 91 2HD2 LEU 10 2HD2 LEU 10 -3.778 -12.331 0.411 92 3HD2 LEU 10 3HD2 LEU 10 -4.718 -11.031 1.181 93 H ASP 11 H ASP 11 -7.263 -12.146 -3.899 94 HA ASP 11 HA ASP 11 -9.845 -10.825 -4.175 95 1HB ASP 11 1HB ASP 11 -8.115 -11.794 -6.251 96 2HB ASP 11 2HB ASP 11 -9.467 -12.906 -6.169 97 H VAL 12 H VAL 12 -10.856 -11.924 -2.418 98 HA VAL 12 HA VAL 12 -10.568 -14.835 -2.351 99 HB VAL 12 HB VAL 12 -11.516 -12.797 -0.332 100 1HG1 VAL 12 1HG1 VAL 12 -11.520 -15.826 -0.177 101 2HG1 VAL 12 2HG1 VAL 12 -11.649 -14.761 1.242 102 3HG1 VAL 12 3HG1 VAL 12 -12.906 -14.723 -0.017 103 1HG2 VAL 12 1HG2 VAL 12 -9.086 -14.610 -0.473 104 2HG2 VAL 12 2HG2 VAL 12 -9.120 -12.831 -0.525 105 3HG2 VAL 12 3HG2 VAL 12 -9.563 -13.686 0.971 106 H LYS 13 H LYS 13 -12.538 -16.151 -2.026 107 HA LYS 13 HA LYS 13 -14.908 -14.817 -3.133 108 1HB LYS 13 1HB LYS 13 -13.568 -16.335 -4.736 109 2HB LYS 13 2HB LYS 13 -14.164 -17.671 -3.772 110 1HG LYS 13 1HG LYS 13 -16.167 -15.616 -4.699 111 2HG LYS 13 2HG LYS 13 -15.530 -16.726 -5.895 112 1HD LYS 13 1HD LYS 13 -16.308 -18.661 -4.656 113 2HD LYS 13 2HD LYS 13 -16.666 -17.694 -3.238 114 1HE LYS 13 1HE LYS 13 -18.787 -18.056 -4.283 115 2HE LYS 13 2HE LYS 13 -18.364 -16.405 -4.690 116 1HZ LYS 13 3HZ LYS 13 -17.430 -17.320 -6.780 117 2HZ LYS 13 1HZ LYS 13 -18.086 -18.768 -6.406 118 3HZ LYS 13 2HZ LYS 13 -19.051 -17.473 -6.646 119 HA PRO 14 HA PRO 14 -16.643 -16.427 0.508 120 1HB PRO 14 1HB PRO 14 -19.199 -15.534 0.143 121 2HB PRO 14 2HB PRO 14 -17.924 -14.539 0.818 122 1HG PRO 14 1HG PRO 14 -19.114 -14.444 -1.888 123 2HG PRO 14 2HG PRO 14 -18.167 -13.223 -1.060 124 1HD PRO 14 1HD PRO 14 -17.262 -14.977 -3.142 125 2HD PRO 14 2HD PRO 14 -16.289 -13.836 -2.235 126 H TRP 15 H TRP 15 -17.418 -18.347 1.207 127 HA TRP 15 HA TRP 15 -17.773 -20.376 -0.537 128 1HB TRP 15 1HB TRP 15 -18.452 -19.858 2.264 129 2HB TRP 15 2HB TRP 15 -19.492 -21.049 1.510 130 HD1 TRP 15 HD TRP 15 -16.572 -21.145 3.531 131 HE1 TRP 15 1HE TRP 15 -14.964 -23.201 3.137 132 HE3 TRP 15 3HE TRP 15 -18.472 -22.436 -1.006 133 HZ2 TRP 15 2HZ TRP 15 -14.674 -25.093 1.021 134 HZ3 TRP 15 3HZ TRP 15 -17.470 -24.400 -2.169 135 HH2 TRP 15 HH TRP 15 -15.635 -25.712 -1.227 136 H ASP 16 H ASP 16 -20.154 -17.921 0.565 137 HA ASP 16 HA ASP 16 -21.649 -18.212 -1.759 138 1HB ASP 16 1HB ASP 16 -22.267 -20.226 0.012 139 2HB ASP 16 2HB ASP 16 -23.389 -18.989 0.546 140 H ASP 17 H ASP 17 -24.142 -17.196 -0.945 141 HA ASP 17 HA ASP 17 -23.504 -14.590 -0.294 142 1HB ASP 17 1HB ASP 17 -25.819 -16.107 -1.032 143 2HB ASP 17 2HB ASP 17 -26.252 -15.235 0.426 144 H GLU 18 H GLU 18 -24.211 -17.471 1.629 145 HA GLU 18 HA GLU 18 -25.168 -16.279 3.925 146 1HB GLU 18 1HB GLU 18 -24.704 -18.375 5.005 147 2HB GLU 18 2HB GLU 18 -25.144 -18.753 3.350 148 1HG GLU 18 1HG GLU 18 -22.623 -18.736 2.805 149 2HG GLU 18 2HG GLU 18 -22.333 -18.658 4.531 150 H THR 19 H THR 19 -21.821 -16.857 2.742 151 HA THR 19 HA THR 19 -20.403 -16.309 5.035 152 HB THR 19 HB THR 19 -19.841 -15.682 2.091 153 HG1 THR 19 1HG THR 19 -18.992 -17.811 2.241 154 1HG2 THR 19 2HG2 THR 19 -18.319 -14.603 4.028 155 2HG2 THR 19 3HG2 THR 19 -17.712 -16.271 4.157 156 3HG2 THR 19 1HG2 THR 19 -17.569 -15.389 2.618 157 H ASP 20 H ASP 20 -20.985 -14.732 6.440 158 HA ASP 20 HA ASP 20 -22.109 -12.358 5.798 159 1HB ASP 20 1HB ASP 20 -21.365 -13.567 8.109 160 2HB ASP 20 2HB ASP 20 -20.071 -12.389 8.015 161 H MET 21 H MET 21 -21.166 -11.168 4.065 162 HA MET 21 HA MET 21 -18.476 -10.944 3.595 163 1HB MET 21 1HB MET 21 -20.788 -9.017 2.996 164 2HB MET 21 2HB MET 21 -19.203 -8.873 2.262 165 1HG MET 21 1HG MET 21 -19.595 -11.419 1.586 166 2HG MET 21 2HG MET 21 -21.283 -11.040 1.862 167 1HE MET 21 1HE MET 21 -18.510 -11.255 -0.115 168 2HE MET 21 2HE MET 21 -19.547 -11.382 -1.556 169 3HE MET 21 3HE MET 21 -18.463 -9.985 -1.360 170 H ALA 22 H ALA 22 -20.607 -9.109 5.791 171 HA ALA 22 HA ALA 22 -18.915 -6.922 6.215 172 1HB ALA 22 1HB ALA 22 -21.359 -7.147 6.819 173 2HB ALA 22 2HB ALA 22 -20.865 -8.191 8.173 174 3HB ALA 22 3HB ALA 22 -20.334 -6.493 8.120 175 H LYS 23 H LYS 23 -19.068 -10.221 7.613 176 HA LYS 23 HA LYS 23 -17.117 -9.615 9.616 177 1HB LYS 23 1HB LYS 23 -19.065 -11.449 9.472 178 2HB LYS 23 2HB LYS 23 -17.757 -12.423 8.832 179 1HG LYS 23 1HG LYS 23 -17.015 -12.759 10.946 180 2HG LYS 23 2HG LYS 23 -16.645 -11.050 11.063 181 1HD LYS 23 1HD LYS 23 -19.244 -10.808 11.577 182 2HD LYS 23 2HD LYS 23 -19.139 -12.512 11.969 183 1HE LYS 23 1HE LYS 23 -18.078 -12.094 13.942 184 2HE LYS 23 2HE LYS 23 -16.916 -11.025 13.180 185 1HZ LYS 23 1HZ LYS 23 -19.120 -9.551 13.109 186 2HZ LYS 23 2HZ LYS 23 -19.377 -10.382 14.491 187 3HZ LYS 23 3HZ LYS 23 -18.023 -9.486 14.318 188 H LEU 24 H LEU 24 -17.181 -11.444 6.487 189 HA LEU 24 HA LEU 24 -14.504 -12.182 6.534 190 1HB LEU 24 1HB LEU 24 -16.695 -12.548 4.894 191 2HB LEU 24 2HB LEU 24 -15.602 -11.622 3.885 192 HG LEU 24 HG LEU 24 -14.982 -14.259 5.242 193 1HD1 LEU 24 2HD1 LEU 24 -16.377 -13.737 2.873 194 2HD1 LEU 24 3HD1 LEU 24 -14.739 -14.208 2.358 195 3HD1 LEU 24 1HD1 LEU 24 -15.687 -15.289 3.406 196 1HD2 LEU 24 1HD2 LEU 24 -13.219 -12.199 4.225 197 2HD2 LEU 24 2HD2 LEU 24 -12.837 -13.707 5.090 198 3HD2 LEU 24 3HD2 LEU 24 -13.023 -13.719 3.320 199 H GLU 25 H GLU 25 -16.134 -9.147 5.580 200 HA GLU 25 HA GLU 25 -13.809 -8.083 4.380 201 1HB GLU 25 1HB GLU 25 -16.222 -7.409 3.895 202 2HB GLU 25 2HB GLU 25 -16.235 -6.568 5.433 203 1HG GLU 25 1HG GLU 25 -13.847 -5.726 4.128 204 2HG GLU 25 2HG GLU 25 -15.083 -5.722 2.886 205 H GLU 26 H GLU 26 -15.615 -7.187 7.418 206 HA GLU 26 HA GLU 26 -13.725 -5.483 8.387 207 1HB GLU 26 1HB GLU 26 -15.717 -7.283 9.818 208 2HB GLU 26 2HB GLU 26 -14.740 -6.109 10.676 209 1HG GLU 26 1HG GLU 26 -16.336 -5.233 8.252 210 2HG GLU 26 2HG GLU 26 -17.148 -5.436 9.792 211 H CYS 27 H CYS 27 -14.094 -9.035 9.039 212 HA CYS 27 HA CYS 27 -12.135 -9.427 10.825 213 1HB CYS 27 1HB CYS 27 -13.533 -11.243 10.072 214 2HB CYS 27 2HB CYS 27 -12.873 -11.162 8.451 215 HG CYS 27 HG CYS 27 -10.473 -11.855 8.986 216 H VAL 28 H VAL 28 -11.750 -9.369 7.204 217 HA VAL 28 HA VAL 28 -9.030 -9.715 7.109 218 HB VAL 28 HB VAL 28 -10.997 -8.250 5.366 219 1HG1 VAL 28 1HG1 VAL 28 -8.718 -7.210 5.156 220 2HG1 VAL 28 2HG1 VAL 28 -8.104 -8.797 4.635 221 3HG1 VAL 28 3HG1 VAL 28 -9.332 -7.954 3.661 222 1HG2 VAL 28 3HG2 VAL 28 -11.016 -10.780 5.614 223 2HG2 VAL 28 1HG2 VAL 28 -10.864 -10.158 3.954 224 3HG2 VAL 28 2HG2 VAL 28 -9.430 -10.782 4.805 225 H ARG 29 H ARG 29 -10.964 -6.759 7.752 226 HA ARG 29 HA ARG 29 -8.752 -5.051 7.617 227 1HB ARG 29 1HB ARG 29 -11.616 -4.886 8.331 228 2HB ARG 29 2HB ARG 29 -10.633 -3.817 9.313 229 1HG ARG 29 1HG ARG 29 -9.579 -2.917 7.188 230 2HG ARG 29 2HG ARG 29 -10.685 -3.912 6.259 231 1HD ARG 29 1HD ARG 29 -12.619 -2.748 7.447 232 2HD ARG 29 2HD ARG 29 -11.454 -1.675 8.194 233 HE ARG 29 HE ARG 29 -11.165 -1.797 5.287 234 1HH1 ARG 29 2HH2 ARG 29 -12.907 -0.259 7.929 235 2HH1 ARG 29 1HH2 ARG 29 -13.306 1.156 7.012 236 1HH2 ARG 29 2HH1 ARG 29 -11.690 0.069 4.078 237 2HH2 ARG 29 1HH1 ARG 29 -12.609 1.344 4.807 238 H SER 30 H SER 30 -10.677 -6.389 10.407 239 HA SER 30 HA SER 30 -9.310 -5.314 12.444 240 1HB SER 30 1HB SER 30 -9.906 -7.455 13.713 241 2HB SER 30 2HB SER 30 -11.238 -6.642 12.915 242 HG SER 30 HG SER 30 -9.828 -9.008 12.042 243 H ILE 31 H ILE 31 -8.397 -8.161 10.437 244 HA ILE 31 HA ILE 31 -6.314 -9.142 11.915 245 HB ILE 31 HB ILE 31 -6.860 -8.997 8.968 246 1HG1 ILE 31 1HG1 ILE 31 -6.809 -11.335 10.896 247 2HG1 ILE 31 2HG1 ILE 31 -8.251 -10.433 10.477 248 1HG2 ILE 31 3HG2 ILE 31 -4.318 -9.678 10.274 249 2HG2 ILE 31 1HG2 ILE 31 -4.940 -10.936 9.181 250 3HG2 ILE 31 2HG2 ILE 31 -4.674 -9.283 8.576 251 1HD1 ILE 31 1HD1 ILE 31 -7.763 -10.961 8.022 252 2HD1 ILE 31 2HD1 ILE 31 -6.490 -12.063 8.600 253 3HD1 ILE 31 3HD1 ILE 31 -8.190 -12.365 9.031 254 H GLN 32 H GLN 32 -4.292 -8.475 12.474 255 HA GLN 32 HA GLN 32 -3.223 -6.222 10.984 256 1HB GLN 32 1HB GLN 32 -4.347 -5.901 13.498 257 2HB GLN 32 2HB GLN 32 -2.658 -6.149 13.896 258 1HG GLN 32 1HG GLN 32 -1.988 -4.328 12.361 259 2HG GLN 32 2HG GLN 32 -3.646 -4.125 11.832 260 1HE2 GLN 32 2HE2 GLN 32 -4.489 -1.882 14.310 261 2HE2 GLN 32 1HE2 GLN 32 -4.743 -2.575 12.743 262 H ALA 33 H ALA 33 -0.787 -5.884 11.616 263 HA ALA 33 HA ALA 33 0.622 -7.989 12.810 264 1HB ALA 33 2HB ALA 33 -0.285 -8.555 10.166 265 2HB ALA 33 3HB ALA 33 1.465 -8.250 10.067 266 3HB ALA 33 1HB ALA 33 0.842 -9.502 11.165 267 H ASP 34 H ASP 34 3.054 -7.711 12.376 268 HA ASP 34 HA ASP 34 3.618 -4.991 12.612 269 1HB ASP 34 1HB ASP 34 4.922 -6.979 13.575 270 2HB ASP 34 2HB ASP 34 5.571 -7.247 11.970 271 H GLY 35 H GLY 35 4.543 -3.531 11.065 272 1HA GLY 35 1HA GLY 35 5.040 -2.687 9.044 273 2HA GLY 35 2HA GLY 35 5.745 -4.243 8.656 274 H LEU 36 H LEU 36 2.408 -4.425 9.620 275 HA LEU 36 HA LEU 36 1.685 -4.842 6.816 276 1HB LEU 36 1HB LEU 36 1.458 -6.666 8.568 277 2HB LEU 36 2HB LEU 36 0.163 -5.713 9.268 278 HG LEU 36 HG LEU 36 -0.343 -5.995 6.458 279 1HD1 LEU 36 2HD1 LEU 36 1.179 -8.135 7.267 280 2HD1 LEU 36 3HD1 LEU 36 -0.481 -8.731 7.510 281 3HD1 LEU 36 1HD1 LEU 36 0.024 -8.132 5.912 282 1HD2 LEU 36 3HD2 LEU 36 -1.832 -5.734 8.644 283 2HD2 LEU 36 1HD2 LEU 36 -2.456 -6.481 7.153 284 3HD2 LEU 36 2HD2 LEU 36 -1.906 -7.507 8.500 285 H VAL 37 H VAL 37 0.253 -3.519 5.787 286 HA VAL 37 HA VAL 37 -1.240 -1.644 7.478 287 HB VAL 37 HB VAL 37 0.556 -1.096 5.135 288 1HG1 VAL 37 2HG1 VAL 37 -1.675 -0.185 4.555 289 2HG1 VAL 37 3HG1 VAL 37 -1.677 0.735 6.078 290 3HG1 VAL 37 1HG1 VAL 37 -0.464 1.092 4.825 291 1HG2 VAL 37 3HG2 VAL 37 0.275 -0.155 7.965 292 2HG2 VAL 37 1HG2 VAL 37 1.733 -0.603 7.047 293 3HG2 VAL 37 2HG2 VAL 37 0.944 0.966 6.753 294 H TRP 38 H TRP 38 -3.393 -1.669 7.062 295 HA TRP 38 HA TRP 38 -4.270 -3.238 4.779 296 1HB TRP 38 1HB TRP 38 -5.452 -2.353 7.362 297 2HB TRP 38 2HB TRP 38 -6.546 -2.597 6.016 298 HD1 TRP 38 HD TRP 38 -5.261 -4.513 8.803 299 HE1 TRP 38 1HE TRP 38 -5.347 -7.131 8.482 300 HE3 TRP 38 3HE TRP 38 -5.969 -4.400 3.769 301 HZ2 TRP 38 2HZ TRP 38 -5.694 -8.823 6.210 302 HZ3 TRP 38 3HZ TRP 38 -6.172 -6.580 2.575 303 HH2 TRP 38 HH TRP 38 -6.046 -8.738 3.715 304 H GLY 39 H GLY 39 -4.964 -2.289 2.903 305 1HA GLY 39 1HA GLY 39 -5.147 0.632 2.849 306 2HA GLY 39 2HA GLY 39 -4.993 -0.450 1.479 307 H SER 40 H SER 40 -6.791 0.206 0.273 308 HA SER 40 HA SER 40 -9.338 0.069 1.671 309 1HB SER 40 1HB SER 40 -8.241 1.783 -0.446 310 2HB SER 40 2HB SER 40 -9.782 1.095 -0.919 311 HG SER 40 HG SER 40 -10.212 3.025 0.191 312 H SER 41 H SER 41 -10.745 -1.600 1.213 313 HA SER 41 HA SER 41 -9.860 -3.520 -0.714 314 1HB SER 41 1HB SER 41 -11.764 -4.881 0.168 315 2HB SER 41 2HB SER 41 -10.683 -4.329 1.433 316 HG SER 41 HG SER 41 -12.682 -3.842 2.239 317 H LYS 42 H LYS 42 -11.707 -4.567 -2.151 318 HA LYS 42 HA LYS 42 -13.484 -2.460 -3.138 319 1HB LYS 42 1HB LYS 42 -11.988 -4.243 -5.051 320 2HB LYS 42 2HB LYS 42 -12.839 -2.745 -5.374 321 1HG LYS 42 1HG LYS 42 -11.106 -1.604 -3.812 322 2HG LYS 42 2HG LYS 42 -10.192 -3.096 -3.907 323 1HD LYS 42 1HD LYS 42 -9.326 -1.622 -5.623 324 2HD LYS 42 2HD LYS 42 -10.220 -2.891 -6.437 325 1HE LYS 42 1HE LYS 42 -11.362 -1.229 -7.494 326 2HE LYS 42 2HE LYS 42 -12.197 -0.972 -5.975 327 1HZ LYS 42 3HZ LYS 42 -9.681 0.280 -5.945 328 2HZ LYS 42 1HZ LYS 42 -10.540 0.781 -7.240 329 3HZ LYS 42 2HZ LYS 42 -11.161 0.941 -5.738 330 H LEU 43 H LEU 43 -15.336 -3.333 -4.397 331 HA LEU 43 HA LEU 43 -15.881 -6.118 -3.638 332 1HB LEU 43 1HB LEU 43 -17.402 -3.643 -3.133 333 2HB LEU 43 2HB LEU 43 -18.348 -4.979 -3.758 334 HG LEU 43 HG LEU 43 -18.504 -5.080 -1.402 335 1HD1 LEU 43 1HD1 LEU 43 -17.963 -7.228 -2.717 336 2HD1 LEU 43 2HD1 LEU 43 -16.368 -7.136 -1.932 337 3HD1 LEU 43 3HD1 LEU 43 -17.842 -7.267 -0.941 338 1HD2 LEU 43 3HD2 LEU 43 -15.490 -4.808 -1.327 339 2HD2 LEU 43 1HD2 LEU 43 -16.702 -3.640 -0.747 340 3HD2 LEU 43 2HD2 LEU 43 -16.503 -5.203 0.080 341 H VAL 44 H VAL 44 -17.163 -7.348 -5.141 342 HA VAL 44 HA VAL 44 -17.862 -6.112 -7.640 343 HB VAL 44 HB VAL 44 -15.598 -8.100 -7.424 344 1HG1 VAL 44 2HG1 VAL 44 -17.387 -7.406 -9.740 345 2HG1 VAL 44 3HG1 VAL 44 -15.676 -7.804 -10.030 346 3HG1 VAL 44 1HG1 VAL 44 -16.743 -8.987 -9.234 347 1HG2 VAL 44 3HG2 VAL 44 -15.834 -5.248 -8.391 348 2HG2 VAL 44 1HG2 VAL 44 -14.710 -5.938 -7.197 349 3HG2 VAL 44 2HG2 VAL 44 -14.509 -6.309 -8.926 350 HA PRO 45 HA PRO 45 -20.744 -9.305 -6.827 351 1HB PRO 45 1HB PRO 45 -22.660 -8.480 -8.591 352 2HB PRO 45 2HB PRO 45 -22.535 -7.864 -6.956 353 1HG PRO 45 1HG PRO 45 -21.779 -6.550 -9.494 354 2HG PRO 45 2HG PRO 45 -22.062 -5.825 -7.924 355 1HD PRO 45 1HD PRO 45 -19.517 -6.321 -9.151 356 2HD PRO 45 2HD PRO 45 -19.799 -5.703 -7.535 357 H VAL 46 H VAL 46 -21.163 -11.342 -7.570 358 HA VAL 46 HA VAL 46 -20.605 -11.725 -10.407 359 HB VAL 46 HB VAL 46 -18.541 -12.088 -8.957 360 1HG1 VAL 46 2HG1 VAL 46 -19.829 -13.256 -7.121 361 2HG1 VAL 46 3HG1 VAL 46 -19.952 -14.665 -8.203 362 3HG1 VAL 46 1HG1 VAL 46 -18.354 -14.091 -7.667 363 1HG2 VAL 46 1HG2 VAL 46 -19.333 -13.213 -11.291 364 2HG2 VAL 46 2HG2 VAL 46 -17.753 -13.520 -10.529 365 3HG2 VAL 46 3HG2 VAL 46 -19.090 -14.675 -10.306 366 H GLY 47 H GLY 47 -21.045 -14.311 -10.790 367 1HA GLY 47 1HA GLY 47 -22.837 -15.672 -11.100 368 2HA GLY 47 2HA GLY 47 -22.690 -15.858 -9.363 369 H TYR 48 H TYR 48 -24.607 -15.614 -8.311 370 HA TYR 48 HA TYR 48 -26.276 -13.343 -9.038 371 1HB TYR 48 1HB TYR 48 -28.242 -14.892 -9.179 372 2HB TYR 48 2HB TYR 48 -27.032 -15.387 -10.345 373 HD1 TYR 48 1HD TYR 48 -25.394 -17.275 -9.624 374 HD2 TYR 48 2HD TYR 48 -29.073 -16.430 -7.611 375 HE1 TYR 48 1HE TYR 48 -25.388 -19.610 -8.616 376 HE2 TYR 48 2HE TYR 48 -29.055 -18.766 -6.610 377 HH TYR 48 HH TYR 48 -26.281 -20.879 -7.017 378 H GLY 49 H GLY 49 -26.190 -12.273 -7.100 379 1HA GLY 49 1HA GLY 49 -27.128 -11.970 -4.991 380 2HA GLY 49 2HA GLY 49 -27.245 -13.705 -4.772 381 H ILE 50 H ILE 50 -24.393 -14.062 -5.863 382 HA ILE 50 HA ILE 50 -23.108 -13.609 -3.309 383 HB ILE 50 HB ILE 50 -22.476 -15.221 -5.762 384 1HG1 ILE 50 1HG1 ILE 50 -22.270 -16.936 -3.741 385 2HG1 ILE 50 2HG1 ILE 50 -23.298 -15.767 -2.936 386 1HG2 ILE 50 2HG2 ILE 50 -20.378 -14.163 -5.077 387 2HG2 ILE 50 3HG2 ILE 50 -20.619 -14.750 -3.414 388 3HG2 ILE 50 1HG2 ILE 50 -20.369 -15.911 -4.741 389 1HD1 ILE 50 1HD1 ILE 50 -24.355 -16.119 -5.581 390 2HD1 ILE 50 2HD1 ILE 50 -24.033 -17.736 -4.910 391 3HD1 ILE 50 3HD1 ILE 50 -25.089 -16.603 -4.034 392 H LYS 51 H LYS 51 -20.818 -12.745 -3.284 393 HA LYS 51 HA LYS 51 -20.336 -10.840 -5.440 394 1HB LYS 51 1HB LYS 51 -20.780 -10.143 -2.539 395 2HB LYS 51 2HB LYS 51 -19.766 -9.145 -3.561 396 1HG LYS 51 1HG LYS 51 -21.616 -8.153 -4.411 397 2HG LYS 51 2HG LYS 51 -22.122 -9.689 -5.084 398 1HD LYS 51 1HD LYS 51 -23.944 -9.329 -3.711 399 2HD LYS 51 2HD LYS 51 -22.912 -10.125 -2.539 400 1HE LYS 51 1HE LYS 51 -22.015 -7.696 -2.026 401 2HE LYS 51 2HE LYS 51 -23.464 -7.154 -2.850 402 1HZ LYS 51 1HZ LYS 51 -24.577 -8.851 -1.271 403 2HZ LYS 51 2HZ LYS 51 -23.234 -8.637 -0.366 404 3HZ LYS 51 3HZ LYS 51 -24.188 -7.361 -0.726 405 H LYS 52 H LYS 52 -18.057 -9.859 -5.176 406 HA LYS 52 HA LYS 52 -16.311 -12.070 -4.449 407 1HB LYS 52 1HB LYS 52 -15.920 -11.311 -6.642 408 2HB LYS 52 2HB LYS 52 -16.021 -9.622 -6.185 409 1HG LYS 52 1HG LYS 52 -13.823 -9.539 -5.576 410 2HG LYS 52 2HG LYS 52 -13.929 -11.032 -4.665 411 1HD LYS 52 1HD LYS 52 -12.384 -11.440 -6.474 412 2HD LYS 52 2HD LYS 52 -13.856 -12.305 -6.870 413 1HE LYS 52 1HE LYS 52 -14.245 -9.721 -7.963 414 2HE LYS 52 2HE LYS 52 -12.565 -10.090 -8.303 415 1HZ LYS 52 2HZ LYS 52 -13.584 -12.356 -8.998 416 2HZ LYS 52 3HZ LYS 52 -14.948 -11.479 -9.196 417 3HZ LYS 52 1HZ LYS 52 -13.599 -11.091 -10.031 418 H LEU 53 H LEU 53 -14.668 -11.929 -2.901 419 HA LEU 53 HA LEU 53 -14.965 -9.636 -1.104 420 1HB LEU 53 1HB LEU 53 -15.029 -12.380 -0.650 421 2HB LEU 53 2HB LEU 53 -13.434 -11.898 -0.105 422 HG LEU 53 HG LEU 53 -15.304 -11.921 1.621 423 1HD1 LEU 53 2HD1 LEU 53 -13.477 -9.571 1.161 424 2HD1 LEU 53 3HD1 LEU 53 -14.530 -9.661 2.594 425 3HD1 LEU 53 1HD1 LEU 53 -13.312 -10.926 2.304 426 1HD2 LEU 53 3HD2 LEU 53 -16.669 -10.415 -0.236 427 2HD2 LEU 53 1HD2 LEU 53 -17.098 -10.599 1.482 428 3HD2 LEU 53 2HD2 LEU 53 -16.140 -9.196 0.949 429 H GLN 54 H GLN 54 -13.675 -8.406 -2.787 430 HA GLN 54 HA GLN 54 -10.891 -9.174 -2.801 431 1HB GLN 54 1HB GLN 54 -11.718 -8.566 -4.964 432 2HB GLN 54 2HB GLN 54 -12.524 -7.136 -4.350 433 1HG GLN 54 1HG GLN 54 -10.630 -5.867 -4.481 434 2HG GLN 54 2HG GLN 54 -9.635 -7.114 -3.758 435 1HE2 GLN 54 2HE2 GLN 54 -9.981 -6.667 -7.829 436 2HE2 GLN 54 1HE2 GLN 54 -10.977 -5.816 -6.697 437 H ILE 55 H ILE 55 -9.218 -7.924 -1.874 438 HA ILE 55 HA ILE 55 -9.977 -5.446 -0.564 439 HB ILE 55 HB ILE 55 -9.412 -6.060 1.584 440 1HG1 ILE 55 1HG1 ILE 55 -7.325 -7.373 0.645 441 2HG1 ILE 55 2HG1 ILE 55 -7.943 -7.672 2.257 442 1HG2 ILE 55 3HG2 ILE 55 -11.565 -7.025 0.850 443 2HG2 ILE 55 1HG2 ILE 55 -10.730 -8.550 0.469 444 3HG2 ILE 55 2HG2 ILE 55 -10.793 -7.965 2.149 445 1HD1 ILE 55 3HD1 ILE 55 -8.784 -9.280 -0.197 446 2HD1 ILE 55 1HD1 ILE 55 -7.500 -9.775 0.931 447 3HD1 ILE 55 2HD1 ILE 55 -9.180 -9.637 1.501 448 H GLN 56 H GLN 56 -7.926 -4.353 0.353 449 HA GLN 56 HA GLN 56 -5.646 -5.147 -1.274 450 1HB GLN 56 1HB GLN 56 -6.846 -3.198 -2.306 451 2HB GLN 56 2HB GLN 56 -6.596 -2.283 -0.833 452 1HG GLN 56 1HG GLN 56 -4.189 -2.309 -1.110 453 2HG GLN 56 2HG GLN 56 -4.276 -3.519 -2.374 454 1HE2 GLN 56 2HE2 GLN 56 -5.279 0.435 -3.111 455 2HE2 GLN 56 1HE2 GLN 56 -5.324 -0.243 -1.517 456 H CYS 57 H CYS 57 -3.564 -4.763 -0.325 457 HA CYS 57 HA CYS 57 -3.640 -3.719 2.398 458 1HB CYS 57 1HB CYS 57 -1.896 -5.619 2.889 459 2HB CYS 57 2HB CYS 57 -3.615 -5.940 3.004 460 HG CYS 57 HG CYS 57 -1.908 -6.248 0.193 461 H VAL 58 H VAL 58 -1.320 -3.172 3.135 462 HA VAL 58 HA VAL 58 0.352 -2.546 0.803 463 HB VAL 58 HB VAL 58 -0.200 -0.804 3.214 464 1HG1 VAL 58 2HG1 VAL 58 2.144 -0.770 2.108 465 2HG1 VAL 58 3HG1 VAL 58 1.323 0.030 0.747 466 3HG1 VAL 58 1HG1 VAL 58 1.299 0.776 2.362 467 1HG2 VAL 58 3HG2 VAL 58 -1.226 -0.773 0.380 468 2HG2 VAL 58 1HG2 VAL 58 -2.118 -0.586 1.909 469 3HG2 VAL 58 2HG2 VAL 58 -1.089 0.738 1.312 470 H VAL 59 H VAL 59 1.553 -4.501 1.211 471 HA VAL 59 HA VAL 59 2.781 -4.774 3.810 472 HB VAL 59 HB VAL 59 3.511 -6.866 3.050 473 1HG1 VAL 59 3HG1 VAL 59 0.907 -6.315 3.142 474 2HG1 VAL 59 1HG1 VAL 59 1.005 -6.761 1.422 475 3HG1 VAL 59 2HG1 VAL 59 1.512 -7.922 2.672 476 1HG2 VAL 59 1HG2 VAL 59 3.016 -5.863 0.230 477 2HG2 VAL 59 2HG2 VAL 59 4.576 -6.284 0.976 478 3HG2 VAL 59 3HG2 VAL 59 3.378 -7.557 0.640 479 H GLU 60 H GLU 60 5.299 -5.432 3.613 480 HA GLU 60 HA GLU 60 6.498 -3.035 2.617 481 1HB GLU 60 1HB GLU 60 7.033 -4.912 4.704 482 2HB GLU 60 2HB GLU 60 8.419 -4.960 3.631 483 1HG GLU 60 1HG GLU 60 7.338 -2.241 4.330 484 2HG GLU 60 2HG GLU 60 8.160 -3.116 5.606 485 H ASP 61 H ASP 61 9.052 -3.776 1.827 486 HA ASP 61 HA ASP 61 8.514 -4.697 -0.777 487 1HB ASP 61 1HB ASP 61 10.456 -3.140 0.370 488 2HB ASP 61 2HB ASP 61 11.331 -4.653 0.246 489 H ASP 62 H ASP 62 10.769 -5.871 1.849 490 HA ASP 62 HA ASP 62 10.163 -8.575 0.959 491 1HB ASP 62 1HB ASP 62 12.549 -7.435 0.401 492 2HB ASP 62 2HB ASP 62 12.898 -7.922 2.047 493 H LYS 63 H LYS 63 9.408 -6.567 3.250 494 HA LYS 63 HA LYS 63 10.563 -7.841 5.569 495 1HB LYS 63 1HB LYS 63 9.757 -5.291 5.060 496 2HB LYS 63 2HB LYS 63 8.337 -5.910 5.878 497 1HG LYS 63 1HG LYS 63 9.700 -6.641 7.800 498 2HG LYS 63 2HG LYS 63 11.176 -6.192 6.968 499 1HD LYS 63 1HD LYS 63 10.989 -4.127 7.882 500 2HD LYS 63 2HD LYS 63 9.584 -3.857 6.870 501 1HE LYS 63 1HE LYS 63 8.068 -4.348 8.586 502 2HE LYS 63 2HE LYS 63 9.174 -5.433 9.405 503 1HZ LYS 63 3HZ LYS 63 10.268 -2.868 9.365 504 2HZ LYS 63 1HZ LYS 63 8.742 -2.770 9.937 505 3HZ LYS 63 2HZ LYS 63 9.821 -3.762 10.657 506 H VAL 64 H VAL 64 7.184 -7.247 4.355 507 HA VAL 64 HA VAL 64 6.527 -9.932 5.314 508 HB VAL 64 HB VAL 64 5.936 -8.141 6.990 509 1HG1 VAL 64 1HG1 VAL 64 4.740 -6.957 4.657 510 2HG1 VAL 64 2HG1 VAL 64 3.476 -7.279 5.868 511 3HG1 VAL 64 3HG1 VAL 64 4.894 -6.294 6.302 512 1HG2 VAL 64 2HG2 VAL 64 4.671 -10.462 6.335 513 2HG2 VAL 64 3HG2 VAL 64 4.234 -9.437 7.723 514 3HG2 VAL 64 1HG2 VAL 64 3.330 -9.300 6.197 515 H GLY 65 H GLY 65 4.876 -10.984 4.103 516 1HA GLY 65 1HA GLY 65 3.986 -9.523 1.695 517 2HA GLY 65 2HA GLY 65 4.699 -11.120 1.586 518 H THR 66 H THR 66 2.369 -11.288 0.513 519 HA THR 66 HA THR 66 0.188 -11.499 2.351 520 HB THR 66 HB THR 66 0.663 -12.190 -0.588 521 HG1 THR 66 1HG THR 66 -1.028 -10.315 0.908 522 1HG2 THR 66 2HG2 THR 66 -1.792 -12.568 1.179 523 2HG2 THR 66 3HG2 THR 66 -1.962 -12.182 -0.552 524 3HG2 THR 66 1HG2 THR 66 -1.136 -13.677 -0.049 525 H ASP 67 H ASP 67 1.890 -12.907 3.731 526 HA ASP 67 HA ASP 67 1.391 -15.672 2.963 527 1HB ASP 67 1HB ASP 67 3.220 -16.029 4.840 528 2HB ASP 67 2HB ASP 67 3.707 -15.538 3.230 529 H MET 68 H MET 68 1.908 -13.600 5.930 530 HA MET 68 HA MET 68 0.532 -15.330 7.616 531 1HB MET 68 1HB MET 68 2.145 -13.110 7.902 532 2HB MET 68 2HB MET 68 0.586 -12.387 8.244 533 1HG MET 68 1HG MET 68 1.786 -14.814 9.663 534 2HG MET 68 2HG MET 68 1.633 -13.203 10.334 535 1HE MET 68 2HE MET 68 -0.370 -11.922 10.133 536 2HE MET 68 3HE MET 68 -1.979 -12.524 9.671 537 3HE MET 68 1HE MET 68 -1.497 -12.501 11.384 538 H LEU 69 H LEU 69 -0.474 -12.394 5.780 539 HA LEU 69 HA LEU 69 -2.987 -12.103 6.924 540 1HB LEU 69 1HB LEU 69 -1.788 -11.351 4.276 541 2HB LEU 69 2HB LEU 69 -3.478 -11.039 4.617 542 HG LEU 69 HG LEU 69 -1.047 -9.877 5.975 543 1HD1 LEU 69 2HD1 LEU 69 -2.078 -8.904 3.839 544 2HD1 LEU 69 3HD1 LEU 69 -3.442 -8.415 4.872 545 3HD1 LEU 69 1HD1 LEU 69 -1.807 -7.801 5.209 546 1HD2 LEU 69 1HD2 LEU 69 -3.765 -10.279 7.092 547 2HD2 LEU 69 2HD2 LEU 69 -2.193 -10.110 7.908 548 3HD2 LEU 69 3HD2 LEU 69 -3.044 -8.666 7.309 549 H GLU 70 H GLU 70 -1.840 -14.120 4.162 550 HA GLU 70 HA GLU 70 -4.359 -14.981 3.405 551 1HB GLU 70 1HB GLU 70 -2.398 -15.242 1.965 552 2HB GLU 70 2HB GLU 70 -1.625 -16.300 3.130 553 1HG GLU 70 1HG GLU 70 -3.786 -17.790 2.858 554 2HG GLU 70 2HG GLU 70 -4.053 -16.864 1.395 555 H GLU 71 H GLU 71 -1.846 -16.645 5.448 556 HA GLU 71 HA GLU 71 -3.413 -18.810 6.076 557 1HB GLU 71 1HB GLU 71 -0.969 -17.513 7.202 558 2HB GLU 71 2HB GLU 71 -1.817 -18.597 8.287 559 1HG GLU 71 1HG GLU 71 -1.267 -19.494 5.448 560 2HG GLU 71 2HG GLU 71 0.035 -19.533 6.618 561 H GLN 72 H GLN 72 -3.820 -15.522 6.957 562 HA GLN 72 HA GLN 72 -5.196 -16.226 9.406 563 1HB GLN 72 1HB GLN 72 -3.577 -14.294 9.361 564 2HB GLN 72 2HB GLN 72 -4.626 -13.472 8.224 565 1HG GLN 72 1HG GLN 72 -5.387 -12.564 10.238 566 2HG GLN 72 2HG GLN 72 -6.503 -13.901 10.049 567 1HE2 GLN 72 2HE2 GLN 72 -3.918 -13.676 13.170 568 2HE2 GLN 72 1HE2 GLN 72 -4.093 -12.462 11.948 569 H ILE 73 H ILE 73 -5.724 -14.551 6.237 570 HA ILE 73 HA ILE 73 -8.509 -14.220 6.711 571 HB ILE 73 HB ILE 73 -6.928 -14.045 4.144 572 1HG1 ILE 73 1HG1 ILE 73 -7.719 -11.640 5.738 573 2HG1 ILE 73 2HG1 ILE 73 -6.342 -12.574 6.288 574 1HG2 ILE 73 3HG2 ILE 73 -9.732 -13.286 4.912 575 2HG2 ILE 73 1HG2 ILE 73 -8.862 -12.379 3.652 576 3HG2 ILE 73 2HG2 ILE 73 -9.137 -14.127 3.460 577 1HD1 ILE 73 2HD1 ILE 73 -5.435 -12.442 3.884 578 2HD1 ILE 73 3HD1 ILE 73 -6.714 -11.243 3.576 579 3HD1 ILE 73 1HD1 ILE 73 -5.460 -10.913 4.795 580 H THR 74 H THR 74 -6.532 -16.422 4.608 581 HA THR 74 HA THR 74 -8.833 -17.946 3.869 582 HB THR 74 HB THR 74 -7.242 -19.157 2.544 583 HG1 THR 74 1HG THR 74 -5.796 -19.725 4.272 584 1HG2 THR 74 2HG2 THR 74 -7.201 -16.481 2.270 585 2HG2 THR 74 3HG2 THR 74 -5.559 -16.673 2.931 586 3HG2 THR 74 1HG2 THR 74 -6.012 -17.498 1.420 587 H ALA 75 H ALA 75 -7.293 -17.642 6.803 588 HA ALA 75 HA ALA 75 -6.985 -20.327 7.567 589 1HB ALA 75 2HB ALA 75 -6.602 -17.744 8.658 590 2HB ALA 75 3HB ALA 75 -7.733 -18.573 9.755 591 3HB ALA 75 1HB ALA 75 -6.153 -19.305 9.388 592 H PHE 76 H PHE 76 -9.765 -18.484 6.762 593 HA PHE 76 HA PHE 76 -11.459 -20.184 8.439 594 1HB PHE 76 1HB PHE 76 -11.464 -17.411 7.361 595 2HB PHE 76 2HB PHE 76 -12.981 -18.228 7.039 596 HD1 PHE 76 2HD PHE 76 -13.518 -19.806 9.367 597 HD2 PHE 76 1HD PHE 76 -11.726 -15.966 9.132 598 HE1 PHE 76 2HE PHE 76 -14.283 -19.305 11.706 599 HE2 PHE 76 1HE PHE 76 -12.491 -15.466 11.470 600 HZ PHE 76 HZ PHE 76 -13.760 -17.141 12.728 601 H GLU 77 H GLU 77 -11.411 -22.108 7.170 602 HA GLU 77 HA GLU 77 -12.027 -21.902 4.394 603 1HB GLU 77 1HB GLU 77 -10.921 -23.881 6.183 604 2HB GLU 77 2HB GLU 77 -12.275 -24.606 5.337 605 1HG GLU 77 1HG GLU 77 -10.656 -22.997 3.500 606 2HG GLU 77 2HG GLU 77 -9.659 -24.178 4.325 607 H ASP 78 H ASP 78 -13.855 -21.626 7.186 608 HA ASP 78 HA ASP 78 -16.096 -23.111 6.137 609 1HB ASP 78 1HB ASP 78 -15.210 -22.745 8.693 610 2HB ASP 78 2HB ASP 78 -16.337 -21.405 8.597 611 H TYR 79 H TYR 79 -14.778 -20.381 5.181 612 HA TYR 79 HA TYR 79 -17.323 -19.039 4.779 613 1HB TYR 79 1HB TYR 79 -14.776 -17.958 6.117 614 2HB TYR 79 2HB TYR 79 -15.937 -16.866 5.389 615 HD1 TYR 79 1HD TYR 79 -15.590 -19.501 8.008 616 HD2 TYR 79 2HD TYR 79 -17.846 -16.156 6.585 617 HE1 TYR 79 1HE TYR 79 -16.937 -19.485 10.163 618 HE2 TYR 79 2HE TYR 79 -19.186 -16.150 8.746 619 HH TYR 79 HH TYR 79 -18.236 -17.578 11.458 620 H VAL 80 H VAL 80 -13.751 -19.114 4.209 621 HA VAL 80 HA VAL 80 -14.103 -17.737 1.695 622 HB VAL 80 HB VAL 80 -11.716 -18.873 3.157 623 1HG1 VAL 80 3HG1 VAL 80 -11.992 -17.842 0.384 624 2HG1 VAL 80 1HG1 VAL 80 -10.611 -17.225 1.322 625 3HG1 VAL 80 2HG1 VAL 80 -10.809 -18.977 1.078 626 1HG2 VAL 80 2HG2 VAL 80 -13.160 -16.376 3.298 627 2HG2 VAL 80 3HG2 VAL 80 -11.791 -16.948 4.282 628 3HG2 VAL 80 1HG2 VAL 80 -11.490 -16.087 2.754 629 H GLN 81 H GLN 81 -14.231 -18.678 -0.304 630 HA GLN 81 HA GLN 81 -14.456 -21.535 -0.305 631 1HB GLN 81 1HB GLN 81 -16.073 -19.975 -1.495 632 2HB GLN 81 2HB GLN 81 -14.791 -19.588 -2.627 633 1HG GLN 81 1HG GLN 81 -14.657 -22.300 -2.767 634 2HG GLN 81 2HG GLN 81 -16.341 -22.143 -2.308 635 1HE2 GLN 81 2HE2 GLN 81 -14.979 -21.116 -6.031 636 2HE2 GLN 81 1HE2 GLN 81 -13.941 -21.611 -4.734 637 H SER 82 H SER 82 -12.260 -18.968 -1.461 638 HA SER 82 HA SER 82 -10.078 -20.572 -1.552 639 1HB SER 82 1HB SER 82 -11.672 -20.647 -4.092 640 2HB SER 82 2HB SER 82 -9.936 -20.476 -4.264 641 HG SER 82 HG SER 82 -10.262 -22.675 -4.211 642 H MET 83 H MET 83 -8.592 -18.978 -1.150 643 HA MET 83 HA MET 83 -9.112 -16.357 -2.204 644 1HB MET 83 1HB MET 83 -8.409 -16.459 0.116 645 2HB MET 83 2HB MET 83 -7.106 -17.573 -0.246 646 1HG MET 83 1HG MET 83 -7.082 -14.848 -1.562 647 2HG MET 83 2HG MET 83 -6.621 -14.966 0.124 648 1HE MET 83 3HE MET 83 -4.676 -14.176 0.023 649 2HE MET 83 1HE MET 83 -3.303 -15.308 0.071 650 3HE MET 83 2HE MET 83 -3.565 -14.287 -1.364 651 H ASP 84 H ASP 84 -7.517 -15.101 -3.422 652 HA ASP 84 HA ASP 84 -5.304 -16.568 -4.496 653 1HB ASP 84 1HB ASP 84 -7.775 -15.890 -6.057 654 2HB ASP 84 2HB ASP 84 -6.252 -15.561 -6.857 655 H VAL 85 H VAL 85 -4.529 -14.818 -6.539 656 HA VAL 85 HA VAL 85 -4.383 -12.255 -5.114 657 HB VAL 85 HB VAL 85 -2.294 -13.582 -5.436 658 1HG1 VAL 85 3HG1 VAL 85 -2.822 -14.555 -7.633 659 2HG1 VAL 85 1HG1 VAL 85 -2.724 -12.939 -8.373 660 3HG1 VAL 85 2HG1 VAL 85 -1.271 -13.682 -7.662 661 1HG2 VAL 85 3HG2 VAL 85 -2.710 -10.868 -5.612 662 2HG2 VAL 85 1HG2 VAL 85 -1.123 -11.661 -5.462 663 3HG2 VAL 85 2HG2 VAL 85 -1.738 -11.195 -7.066 664 H ALA 86 H ALA 86 -4.903 -10.336 -6.181 665 HA ALA 86 HA ALA 86 -6.339 -10.743 -8.694 666 1HB ALA 86 1HB ALA 86 -7.175 -9.557 -6.440 667 2HB ALA 86 2HB ALA 86 -6.372 -8.154 -7.184 668 3HB ALA 86 3HB ALA 86 -7.686 -8.990 -8.047 669 H ALA 87 H ALA 87 -3.436 -9.357 -7.272 670 HA ALA 87 HA ALA 87 -2.197 -8.952 -9.699 671 1HB ALA 87 2HB ALA 87 -4.137 -6.984 -9.323 672 2HB ALA 87 3HB ALA 87 -2.634 -6.197 -8.784 673 3HB ALA 87 1HB ALA 87 -2.741 -6.884 -10.423 674 H PHE 88 H PHE 88 -0.155 -7.453 -9.352 675 HA PHE 88 HA PHE 88 0.572 -7.270 -6.555 676 1HB PHE 88 1HB PHE 88 1.248 -9.478 -8.300 677 2HB PHE 88 2HB PHE 88 2.710 -8.525 -8.130 678 HD1 PHE 88 2HD PHE 88 3.647 -8.122 -5.840 679 HD2 PHE 88 1HD PHE 88 0.462 -10.841 -6.526 680 HE1 PHE 88 2HE PHE 88 4.095 -9.205 -3.621 681 HE2 PHE 88 1HE PHE 88 0.910 -11.925 -4.305 682 HZ PHE 88 HZ PHE 88 2.720 -11.094 -2.879 683 H ASN 89 H ASN 89 0.997 -5.079 -6.612 684 HA ASN 89 HA ASN 89 3.172 -4.330 -8.367 685 1HB ASN 89 1HB ASN 89 1.138 -3.551 -9.538 686 2HB ASN 89 2HB ASN 89 0.529 -2.811 -8.071 687 1HD2 ASN 89 2HD2 ASN 89 1.909 0.249 -8.860 688 2HD2 ASN 89 1HD2 ASN 89 0.596 -0.710 -8.263 689 H LYS 90 H LYS 90 4.074 -2.080 -7.601 690 HA LYS 90 HA LYS 90 4.177 -2.138 -4.720 691 1HB LYS 90 1HB LYS 90 5.836 -0.175 -5.268 692 2HB LYS 90 2HB LYS 90 6.293 -1.843 -5.542 693 1HG LYS 90 1HG LYS 90 6.001 -1.684 -7.890 694 2HG LYS 90 2HG LYS 90 4.932 -0.301 -7.765 695 1HD LYS 90 1HD LYS 90 6.686 1.220 -7.487 696 2HD LYS 90 2HD LYS 90 7.739 0.041 -6.732 697 1HE LYS 90 1HE LYS 90 8.655 -0.579 -8.729 698 2HE LYS 90 2HE LYS 90 7.086 -0.725 -9.496 699 1HZ LYS 90 3HZ LYS 90 7.080 1.728 -9.636 700 2HZ LYS 90 1HZ LYS 90 8.627 1.742 -9.112 701 3HZ LYS 90 2HZ LYS 90 8.251 1.020 -10.527 702 H ILE 91 H ILE 91 3.625 -0.454 -3.357 703 HA ILE 91 HA ILE 91 2.194 1.865 -4.445 704 HB ILE 91 HB ILE 91 0.861 -0.245 -2.705 705 1HG1 ILE 91 1HG1 ILE 91 0.455 0.812 -5.521 706 2HG1 ILE 91 2HG1 ILE 91 0.666 -0.873 -4.989 707 1HG2 ILE 91 1HG2 ILE 91 0.574 2.495 -2.461 708 2HG2 ILE 91 2HG2 ILE 91 -0.701 2.087 -3.634 709 3HG2 ILE 91 3HG2 ILE 91 -0.673 1.297 -2.040 710 1HD1 ILE 91 3HD1 ILE 91 -1.536 -0.200 -3.543 711 2HD1 ILE 91 1HD1 ILE 91 -1.769 0.849 -4.962 712 3HD1 ILE 91 2HD1 ILE 91 -1.619 -0.912 -5.172 No H/Q in entry = 712 Start of MODEL 4 1 1H MET 1 3HN MET 1 13.168 -4.692 8.756 2 2H MET 1 H MET 1 14.680 -5.027 9.344 3 3H MET 1 2HN MET 1 13.453 -4.637 10.386 4 HA MET 1 HA MET 1 13.365 -2.454 9.714 5 1HB MET 1 1HB MET 1 16.172 -3.544 10.076 6 2HB MET 1 2HB MET 1 15.836 -1.799 9.975 7 1HG MET 1 1HG MET 1 14.494 -1.824 11.916 8 2HG MET 1 2HG MET 1 14.301 -3.585 11.869 9 1HE MET 1 3HE MET 1 14.872 -1.707 14.265 10 2HE MET 1 1HE MET 1 14.903 -3.435 14.695 11 3HE MET 1 2HE MET 1 16.240 -2.370 15.193 12 H LEU 2 H LEU 2 12.911 -3.833 7.220 13 HA LEU 2 HA LEU 2 14.932 -2.812 5.419 14 1HB LEU 2 1HB LEU 2 12.773 -4.785 5.352 15 2HB LEU 2 2HB LEU 2 12.857 -3.808 3.900 16 HG LEU 2 HG LEU 2 15.512 -4.524 4.370 17 1HD1 LEU 2 3HD1 LEU 2 13.676 -6.842 5.013 18 2HD1 LEU 2 1HD1 LEU 2 15.379 -7.022 4.527 19 3HD1 LEU 2 2HD1 LEU 2 14.968 -6.154 6.026 20 1HD2 LEU 2 1HD2 LEU 2 13.400 -5.058 2.410 21 2HD2 LEU 2 2HD2 LEU 2 15.116 -4.647 2.175 22 3HD2 LEU 2 3HD2 LEU 2 14.640 -6.333 2.490 23 H VAL 3 H VAL 3 13.580 -1.927 3.228 24 HA VAL 3 HA VAL 3 11.715 0.107 4.160 25 HB VAL 3 HB VAL 3 14.327 0.741 4.006 26 1HG1 VAL 3 2HG1 VAL 3 14.242 0.149 1.515 27 2HG1 VAL 3 3HG1 VAL 3 13.284 1.636 1.310 28 3HG1 VAL 3 1HG1 VAL 3 14.943 1.726 1.950 29 1HG2 VAL 3 2HG2 VAL 3 12.199 2.082 4.682 30 2HG2 VAL 3 3HG2 VAL 3 13.658 2.967 4.173 31 3HG2 VAL 3 1HG2 VAL 3 12.304 2.753 3.037 32 H ALA 4 H ALA 4 10.914 1.379 2.073 33 HA ALA 4 HA ALA 4 10.015 1.338 0.038 34 1HB ALA 4 2HB ALA 4 12.343 -0.025 -0.383 35 2HB ALA 4 3HB ALA 4 11.150 -1.270 -0.824 36 3HB ALA 4 1HB ALA 4 11.141 0.306 -1.653 37 H LYS 5 H LYS 5 7.855 1.032 0.249 38 HA LYS 5 HA LYS 5 6.955 -1.605 1.133 39 1HB LYS 5 1HB LYS 5 5.728 1.151 1.190 40 2HB LYS 5 2HB LYS 5 4.741 -0.284 1.378 41 1HG LYS 5 1HG LYS 5 7.163 -0.406 3.049 42 2HG LYS 5 2HG LYS 5 6.207 1.018 3.403 43 1HD LYS 5 1HD LYS 5 4.168 -0.440 3.657 44 2HD LYS 5 2HD LYS 5 5.161 -1.854 3.362 45 1HE LYS 5 1HE LYS 5 5.144 -1.782 5.710 46 2HE LYS 5 2HE LYS 5 6.639 -0.940 5.351 47 1HZ LYS 5 2HZ LYS 5 4.062 0.402 5.792 48 2HZ LYS 5 3HZ LYS 5 5.223 0.231 6.929 49 3HZ LYS 5 1HZ LYS 5 5.512 1.130 5.597 50 H SER 6 H SER 6 4.659 -2.160 0.092 51 HA SER 6 HA SER 6 4.562 -1.382 -2.665 52 1HB SER 6 1HB SER 6 5.587 -4.022 -1.762 53 2HB SER 6 2HB SER 6 4.334 -4.120 -2.983 54 HG SER 6 HG SER 6 6.970 -3.392 -3.260 55 H SER 7 H SER 7 2.579 -2.610 -3.748 56 HA SER 7 HA SER 7 0.544 -2.830 -1.669 57 1HB SER 7 1HB SER 7 -0.349 -1.071 -2.816 58 2HB SER 7 2HB SER 7 0.638 -1.365 -4.233 59 HG SER 7 HG SER 7 -1.262 -1.975 -5.061 60 H ILE 8 H ILE 8 -0.993 -4.561 -1.834 61 HA ILE 8 HA ILE 8 -0.641 -6.401 -4.060 62 HB ILE 8 HB ILE 8 -0.483 -7.339 -1.199 63 1HG1 ILE 8 1HG1 ILE 8 1.489 -5.935 -1.849 64 2HG1 ILE 8 2HG1 ILE 8 1.871 -7.590 -1.417 65 1HG2 ILE 8 2HG2 ILE 8 -0.863 -8.649 -3.754 66 2HG2 ILE 8 3HG2 ILE 8 0.617 -9.223 -2.948 67 3HG2 ILE 8 1HG2 ILE 8 -0.948 -9.313 -2.104 68 1HD1 ILE 8 1HD1 ILE 8 1.312 -6.995 -4.318 69 2HD1 ILE 8 2HD1 ILE 8 2.871 -6.474 -3.633 70 3HD1 ILE 8 3HD1 ILE 8 2.415 -8.195 -3.601 71 H LEU 9 H LEU 9 -2.635 -6.658 -4.896 72 HA LEU 9 HA LEU 9 -4.901 -6.285 -3.100 73 1HB LEU 9 1HB LEU 9 -4.650 -4.997 -5.242 74 2HB LEU 9 2HB LEU 9 -4.864 -6.504 -6.110 75 HG LEU 9 HG LEU 9 -7.102 -6.735 -4.896 76 1HD1 LEU 9 3HD1 LEU 9 -6.205 -4.627 -3.393 77 2HD1 LEU 9 1HD1 LEU 9 -7.298 -3.824 -4.547 78 3HD1 LEU 9 2HD1 LEU 9 -7.899 -5.154 -3.527 79 1HD2 LEU 9 2HD2 LEU 9 -6.344 -5.343 -7.246 80 2HD2 LEU 9 3HD2 LEU 9 -7.898 -6.128 -6.873 81 3HD2 LEU 9 1HD2 LEU 9 -7.650 -4.411 -6.475 82 H LEU 10 H LEU 10 -5.891 -8.010 -2.214 83 HA LEU 10 HA LEU 10 -5.412 -10.602 -3.488 84 1HB LEU 10 1HB LEU 10 -5.973 -9.719 -0.680 85 2HB LEU 10 2HB LEU 10 -6.362 -11.354 -1.176 86 HG LEU 10 HG LEU 10 -4.007 -11.724 -1.821 87 1HD1 LEU 10 2HD1 LEU 10 -3.833 -8.827 -1.279 88 2HD1 LEU 10 3HD1 LEU 10 -2.494 -9.806 -0.633 89 3HD1 LEU 10 1HD1 LEU 10 -2.877 -9.859 -2.370 90 1HD2 LEU 10 1HD2 LEU 10 -5.063 -11.421 0.822 91 2HD2 LEU 10 2HD2 LEU 10 -3.834 -12.561 0.222 92 3HD2 LEU 10 3HD2 LEU 10 -3.344 -10.961 0.828 93 H ASP 11 H ASP 11 -7.197 -12.094 -3.772 94 HA ASP 11 HA ASP 11 -9.783 -10.766 -3.699 95 1HB ASP 11 1HB ASP 11 -8.309 -11.501 -6.042 96 2HB ASP 11 2HB ASP 11 -9.614 -12.662 -5.904 97 H VAL 12 H VAL 12 -10.708 -12.025 -2.033 98 HA VAL 12 HA VAL 12 -10.286 -14.916 -2.150 99 HB VAL 12 HB VAL 12 -11.603 -13.341 0.056 100 1HG1 VAL 12 1HG1 VAL 12 -10.545 -16.107 -0.308 101 2HG1 VAL 12 2HG1 VAL 12 -10.314 -15.346 1.284 102 3HG1 VAL 12 3HG1 VAL 12 -11.953 -15.527 0.613 103 1HG2 VAL 12 1HG2 VAL 12 -8.837 -13.188 -0.801 104 2HG2 VAL 12 2HG2 VAL 12 -9.679 -12.293 0.488 105 3HG2 VAL 12 3HG2 VAL 12 -8.955 -13.883 0.834 106 H LYS 13 H LYS 13 -12.019 -16.379 -2.316 107 HA LYS 13 HA LYS 13 -14.526 -15.110 -3.167 108 1HB LYS 13 1HB LYS 13 -13.177 -16.465 -4.843 109 2HB LYS 13 2HB LYS 13 -13.551 -17.884 -3.884 110 1HG LYS 13 1HG LYS 13 -15.926 -16.205 -4.467 111 2HG LYS 13 2HG LYS 13 -15.154 -16.835 -5.909 112 1HD LYS 13 1HD LYS 13 -15.467 -19.100 -5.248 113 2HD LYS 13 2HD LYS 13 -15.693 -18.681 -3.562 114 1HE LYS 13 1HE LYS 13 -17.906 -19.084 -4.209 115 2HE LYS 13 2HE LYS 13 -17.812 -17.351 -4.449 116 1HZ LYS 13 2HZ LYS 13 -16.916 -18.370 -6.778 117 2HZ LYS 13 3HZ LYS 13 -18.116 -19.403 -6.378 118 3HZ LYS 13 1HZ LYS 13 -18.424 -17.805 -6.507 119 HA PRO 14 HA PRO 14 -16.123 -16.887 0.475 120 1HB PRO 14 1HB PRO 14 -18.662 -15.897 0.268 121 2HB PRO 14 2HB PRO 14 -17.335 -14.992 0.967 122 1HG PRO 14 1HG PRO 14 -18.613 -14.663 -1.679 123 2HG PRO 14 2HG PRO 14 -17.602 -13.533 -0.800 124 1HD PRO 14 1HD PRO 14 -16.823 -15.154 -3.035 125 2HD PRO 14 2HD PRO 14 -15.784 -14.111 -2.084 126 H TRP 15 H TRP 15 -17.062 -18.776 1.116 127 HA TRP 15 HA TRP 15 -17.450 -20.727 -0.694 128 1HB TRP 15 1HB TRP 15 -18.317 -20.240 2.077 129 2HB TRP 15 2HB TRP 15 -19.284 -21.416 1.209 130 HD1 TRP 15 HD TRP 15 -16.661 -21.654 3.527 131 HE1 TRP 15 1HE TRP 15 -14.976 -23.659 3.207 132 HE3 TRP 15 3HE TRP 15 -17.889 -22.604 -1.316 133 HZ2 TRP 15 2HZ TRP 15 -14.358 -25.378 1.016 134 HZ3 TRP 15 3HZ TRP 15 -16.697 -24.463 -2.472 135 HH2 TRP 15 HH TRP 15 -14.986 -25.828 -1.385 136 H ASP 16 H ASP 16 -19.786 -18.213 0.393 137 HA ASP 16 HA ASP 16 -21.153 -18.325 -2.024 138 1HB ASP 16 1HB ASP 16 -22.043 -20.206 -0.002 139 2HB ASP 16 2HB ASP 16 -23.284 -18.988 -0.211 140 H ASP 17 H ASP 17 -23.663 -17.267 -1.264 141 HA ASP 17 HA ASP 17 -22.956 -14.717 -0.454 142 1HB ASP 17 1HB ASP 17 -24.924 -14.780 -1.710 143 2HB ASP 17 2HB ASP 17 -25.509 -16.231 -0.920 144 H GLU 18 H GLU 18 -23.771 -17.665 1.276 145 HA GLU 18 HA GLU 18 -24.866 -16.571 3.572 146 1HB GLU 18 1HB GLU 18 -24.267 -18.745 4.622 147 2HB GLU 18 2HB GLU 18 -25.015 -18.961 3.051 148 1HG GLU 18 1HG GLU 18 -22.881 -19.405 1.989 149 2HG GLU 18 2HG GLU 18 -21.988 -18.861 3.396 150 H THR 19 H THR 19 -21.498 -16.987 2.459 151 HA THR 19 HA THR 19 -20.229 -16.585 4.925 152 HB THR 19 HB THR 19 -19.548 -16.448 1.990 153 HG1 THR 19 1HG THR 19 -17.924 -17.964 3.014 154 1HG2 THR 19 3HG2 THR 19 -17.819 -15.375 4.274 155 2HG2 THR 19 1HG2 THR 19 -17.141 -15.948 2.732 156 3HG2 THR 19 2HG2 THR 19 -18.232 -14.542 2.756 157 H ASP 20 H ASP 20 -20.956 -14.955 6.222 158 HA ASP 20 HA ASP 20 -21.956 -12.606 5.588 159 1HB ASP 20 1HB ASP 20 -20.798 -13.751 7.871 160 2HB ASP 20 2HB ASP 20 -19.855 -12.290 7.649 161 H MET 21 H MET 21 -21.206 -11.271 3.909 162 HA MET 21 HA MET 21 -18.511 -11.102 3.223 163 1HB MET 21 1HB MET 21 -20.861 -9.214 2.637 164 2HB MET 21 2HB MET 21 -19.337 -9.188 1.774 165 1HG MET 21 1HG MET 21 -21.277 -11.549 1.881 166 2HG MET 21 2HG MET 21 -21.055 -10.474 0.515 167 1HE MET 21 1HE MET 21 -19.158 -10.198 -0.837 168 2HE MET 21 2HE MET 21 -17.970 -11.473 -1.202 169 3HE MET 21 3HE MET 21 -19.700 -11.749 -1.524 170 H ALA 22 H ALA 22 -20.702 -8.931 5.113 171 HA ALA 22 HA ALA 22 -18.950 -6.819 5.443 172 1HB ALA 22 1HB ALA 22 -21.450 -7.063 6.032 173 2HB ALA 22 2HB ALA 22 -20.893 -7.789 7.559 174 3HB ALA 22 3HB ALA 22 -20.438 -6.118 7.151 175 H LYS 23 H LYS 23 -19.395 -9.824 7.414 176 HA LYS 23 HA LYS 23 -17.485 -9.139 9.343 177 1HB LYS 23 1HB LYS 23 -19.367 -10.993 9.244 178 2HB LYS 23 2HB LYS 23 -18.069 -11.990 8.618 179 1HG LYS 23 1HG LYS 23 -17.306 -12.291 10.729 180 2HG LYS 23 2HG LYS 23 -16.955 -10.577 10.832 181 1HD LYS 23 1HD LYS 23 -19.581 -10.391 11.319 182 2HD LYS 23 2HD LYS 23 -19.404 -12.072 11.781 183 1HE LYS 23 1HE LYS 23 -17.550 -9.919 12.880 184 2HE LYS 23 2HE LYS 23 -19.089 -10.276 13.638 185 1HZ LYS 23 2HZ LYS 23 -17.046 -12.315 13.106 186 2HZ LYS 23 3HZ LYS 23 -17.196 -11.532 14.531 187 3HZ LYS 23 1HZ LYS 23 -18.402 -12.495 13.997 188 H LEU 24 H LEU 24 -17.279 -11.079 6.293 189 HA LEU 24 HA LEU 24 -14.595 -11.758 6.574 190 1HB LEU 24 1HB LEU 24 -16.657 -12.231 4.785 191 2HB LEU 24 2HB LEU 24 -15.484 -11.350 3.826 192 HG LEU 24 HG LEU 24 -14.920 -13.881 5.399 193 1HD1 LEU 24 2HD1 LEU 24 -16.231 -13.569 2.930 194 2HD1 LEU 24 3HD1 LEU 24 -14.581 -14.111 2.545 195 3HD1 LEU 24 1HD1 LEU 24 -15.596 -15.067 3.651 196 1HD2 LEU 24 1HD2 LEU 24 -13.174 -12.017 3.838 197 2HD2 LEU 24 2HD2 LEU 24 -12.854 -12.887 5.357 198 3HD2 LEU 24 3HD2 LEU 24 -12.827 -13.762 3.807 199 H GLU 25 H GLU 25 -16.182 -8.955 4.919 200 HA GLU 25 HA GLU 25 -13.841 -7.850 3.975 201 1HB GLU 25 1HB GLU 25 -16.534 -7.255 3.818 202 2HB GLU 25 2HB GLU 25 -15.952 -5.927 4.801 203 1HG GLU 25 1HG GLU 25 -15.725 -5.172 2.542 204 2HG GLU 25 2HG GLU 25 -14.098 -5.587 3.048 205 H GLU 26 H GLU 26 -15.742 -6.990 6.959 206 HA GLU 26 HA GLU 26 -13.933 -5.142 7.890 207 1HB GLU 26 1HB GLU 26 -16.004 -6.887 9.258 208 2HB GLU 26 2HB GLU 26 -15.018 -5.774 10.185 209 1HG GLU 26 1HG GLU 26 -16.589 -4.877 7.733 210 2HG GLU 26 2HG GLU 26 -17.301 -4.893 9.334 211 H CYS 27 H CYS 27 -14.373 -8.586 8.997 212 HA CYS 27 HA CYS 27 -12.333 -8.770 10.725 213 1HB CYS 27 1HB CYS 27 -13.919 -10.592 10.230 214 2HB CYS 27 2HB CYS 27 -13.127 -10.884 8.694 215 HG CYS 27 HG CYS 27 -11.202 -12.097 9.437 216 H VAL 28 H VAL 28 -12.148 -9.328 7.130 217 HA VAL 28 HA VAL 28 -9.542 -9.905 6.833 218 HB VAL 28 HB VAL 28 -11.482 -8.292 5.218 219 1HG1 VAL 28 3HG1 VAL 28 -8.565 -8.269 4.909 220 2HG1 VAL 28 1HG1 VAL 28 -9.422 -8.820 3.449 221 3HG1 VAL 28 2HG1 VAL 28 -9.807 -7.235 4.163 222 1HG2 VAL 28 3HG2 VAL 28 -11.192 -10.964 5.557 223 2HG2 VAL 28 1HG2 VAL 28 -11.838 -10.218 4.076 224 3HG2 VAL 28 2HG2 VAL 28 -10.129 -10.709 4.152 225 H ARG 29 H ARG 29 -10.953 -6.588 7.199 226 HA ARG 29 HA ARG 29 -8.451 -5.353 7.045 227 1HB ARG 29 1HB ARG 29 -11.111 -4.519 7.050 228 2HB ARG 29 2HB ARG 29 -10.553 -3.934 8.603 229 1HG ARG 29 1HG ARG 29 -8.435 -3.172 7.044 230 2HG ARG 29 2HG ARG 29 -9.715 -3.110 5.848 231 1HD ARG 29 1HD ARG 29 -10.609 -1.220 6.761 232 2HD ARG 29 2HD ARG 29 -10.593 -1.901 8.376 233 HE ARG 29 HE ARG 29 -8.515 -0.212 7.164 234 1HH1 ARG 29 2HH2 ARG 29 -9.271 -2.496 9.732 235 2HH1 ARG 29 1HH2 ARG 29 -7.977 -1.970 10.755 236 1HH2 ARG 29 2HH1 ARG 29 -6.808 0.483 8.515 237 2HH2 ARG 29 1HH1 ARG 29 -6.566 -0.263 10.059 238 H SER 30 H SER 30 -10.480 -6.651 9.699 239 HA SER 30 HA SER 30 -9.243 -5.432 11.816 240 1HB SER 30 1HB SER 30 -10.379 -6.981 13.158 241 2HB SER 30 2HB SER 30 -11.335 -7.008 11.689 242 HG SER 30 HG SER 30 -10.128 -9.081 12.886 243 H ILE 31 H ILE 31 -8.167 -8.043 9.688 244 HA ILE 31 HA ILE 31 -6.347 -9.337 11.292 245 HB ILE 31 HB ILE 31 -6.225 -8.709 8.340 246 1HG1 ILE 31 1HG1 ILE 31 -8.260 -9.854 8.841 247 2HG1 ILE 31 2HG1 ILE 31 -7.160 -11.007 8.113 248 1HG2 ILE 31 1HG2 ILE 31 -4.618 -10.613 10.049 249 2HG2 ILE 31 2HG2 ILE 31 -4.812 -10.822 8.292 250 3HG2 ILE 31 3HG2 ILE 31 -4.036 -9.355 8.932 251 1HD1 ILE 31 3HD1 ILE 31 -6.528 -11.304 10.784 252 2HD1 ILE 31 1HD1 ILE 31 -8.267 -10.929 10.867 253 3HD1 ILE 31 2HD1 ILE 31 -7.700 -12.317 9.908 254 H GLN 32 H GLN 32 -4.574 -8.692 12.384 255 HA GLN 32 HA GLN 32 -3.313 -6.245 11.416 256 1HB GLN 32 1HB GLN 32 -4.548 -6.294 13.735 257 2HB GLN 32 2HB GLN 32 -3.152 -7.197 14.291 258 1HG GLN 32 1HG GLN 32 -2.236 -4.906 12.758 259 2HG GLN 32 2HG GLN 32 -3.393 -4.359 13.955 260 1HE2 GLN 32 2HE2 GLN 32 -0.999 -4.305 16.438 261 2HE2 GLN 32 1HE2 GLN 32 -2.331 -3.575 15.606 262 H ALA 33 H ALA 33 -0.999 -6.163 11.371 263 HA ALA 33 HA ALA 33 0.522 -8.381 12.336 264 1HB ALA 33 2HB ALA 33 -0.418 -9.362 10.273 265 2HB ALA 33 3HB ALA 33 0.210 -7.989 9.332 266 3HB ALA 33 1HB ALA 33 1.338 -9.113 10.125 267 H ASP 34 H ASP 34 2.899 -8.016 11.869 268 HA ASP 34 HA ASP 34 3.457 -5.311 12.320 269 1HB ASP 34 1HB ASP 34 4.747 -7.583 12.924 270 2HB ASP 34 2HB ASP 34 5.567 -7.274 11.406 271 H GLY 35 H GLY 35 4.524 -3.786 10.885 272 1HA GLY 35 1HA GLY 35 4.923 -2.788 8.912 273 2HA GLY 35 2HA GLY 35 5.646 -4.308 8.423 274 H LEU 36 H LEU 36 2.256 -4.355 9.387 275 HA LEU 36 HA LEU 36 1.548 -4.647 6.552 276 1HB LEU 36 1HB LEU 36 1.367 -6.603 8.222 277 2HB LEU 36 2HB LEU 36 -0.019 -5.747 8.869 278 HG LEU 36 HG LEU 36 -0.454 -5.816 6.096 279 1HD1 LEU 36 2HD1 LEU 36 0.603 -8.475 7.092 280 2HD1 LEU 36 3HD1 LEU 36 -0.335 -8.249 5.597 281 3HD1 LEU 36 1HD1 LEU 36 1.259 -7.475 5.772 282 1HD2 LEU 36 3HD2 LEU 36 -1.669 -6.820 8.555 283 2HD2 LEU 36 1HD2 LEU 36 -2.420 -6.114 7.104 284 3HD2 LEU 36 2HD2 LEU 36 -2.011 -7.846 7.142 285 H VAL 37 H VAL 37 0.125 -3.227 5.660 286 HA VAL 37 HA VAL 37 -1.387 -1.547 7.532 287 HB VAL 37 HB VAL 37 0.168 -0.711 5.079 288 1HG1 VAL 37 3HG1 VAL 37 -2.138 0.350 5.315 289 2HG1 VAL 37 1HG1 VAL 37 -1.532 1.100 6.810 290 3HG1 VAL 37 2HG1 VAL 37 -0.754 1.468 5.252 291 1HG2 VAL 37 1HG2 VAL 37 0.529 -0.371 8.033 292 2HG2 VAL 37 2HG2 VAL 37 1.736 -0.667 6.758 293 3HG2 VAL 37 3HG2 VAL 37 1.030 0.955 6.957 294 H TRP 38 H TRP 38 -3.548 -1.496 7.127 295 HA TRP 38 HA TRP 38 -4.444 -2.886 4.728 296 1HB TRP 38 1HB TRP 38 -5.640 -2.237 7.390 297 2HB TRP 38 2HB TRP 38 -6.706 -2.493 6.023 298 HD1 TRP 38 HD TRP 38 -5.241 -4.439 8.720 299 HE1 TRP 38 1HE TRP 38 -5.166 -7.040 8.281 300 HE3 TRP 38 3HE TRP 38 -6.079 -4.149 3.713 301 HZ2 TRP 38 2HZ TRP 38 -5.458 -8.648 5.941 302 HZ3 TRP 38 3HZ TRP 38 -6.170 -6.281 2.425 303 HH2 TRP 38 HH TRP 38 -5.875 -8.475 3.460 304 H GLY 39 H GLY 39 -4.768 -1.629 2.943 305 1HA GLY 39 1HA GLY 39 -4.980 1.205 3.099 306 2HA GLY 39 2HA GLY 39 -5.160 0.198 1.677 307 H SER 40 H SER 40 -7.280 -0.998 1.395 308 HA SER 40 HA SER 40 -9.468 -0.281 2.974 309 1HB SER 40 1HB SER 40 -8.749 1.617 0.903 310 2HB SER 40 2HB SER 40 -10.283 0.880 0.487 311 HG SER 40 HG SER 40 -10.835 1.364 2.872 312 H SER 41 H SER 41 -11.290 -1.593 2.431 313 HA SER 41 HA SER 41 -10.695 -3.491 0.315 314 1HB SER 41 1HB SER 41 -12.445 -4.907 1.474 315 2HB SER 41 2HB SER 41 -11.030 -4.561 2.449 316 HG SER 41 HG SER 41 -12.548 -3.977 3.876 317 H LYS 42 H LYS 42 -12.484 -4.189 -1.134 318 HA LYS 42 HA LYS 42 -14.734 -2.332 -1.216 319 1HB LYS 42 1HB LYS 42 -14.301 -2.402 -3.820 320 2HB LYS 42 2HB LYS 42 -13.536 -1.204 -2.796 321 1HG LYS 42 1HG LYS 42 -11.437 -2.126 -3.040 322 2HG LYS 42 2HG LYS 42 -12.039 -3.772 -3.013 323 1HD LYS 42 1HD LYS 42 -11.676 -3.804 -5.258 324 2HD LYS 42 2HD LYS 42 -13.099 -2.790 -5.402 325 1HE LYS 42 1HE LYS 42 -11.838 -1.048 -6.124 326 2HE LYS 42 2HE LYS 42 -10.866 -1.102 -4.668 327 1HZ LYS 42 2HZ LYS 42 -10.056 -3.234 -6.163 328 2HZ LYS 42 3HZ LYS 42 -10.225 -2.022 -7.245 329 3HZ LYS 42 1HZ LYS 42 -9.248 -1.831 -5.950 330 H LEU 43 H LEU 43 -16.465 -3.174 -2.776 331 HA LEU 43 HA LEU 43 -16.411 -6.112 -2.700 332 1HB LEU 43 1HB LEU 43 -18.422 -4.136 -1.821 333 2HB LEU 43 2HB LEU 43 -19.052 -5.493 -2.734 334 HG LEU 43 HG LEU 43 -19.231 -6.119 -0.481 335 1HD1 LEU 43 3HD1 LEU 43 -18.099 -7.769 -2.106 336 2HD1 LEU 43 1HD1 LEU 43 -16.616 -7.440 -1.179 337 3HD1 LEU 43 2HD1 LEU 43 -18.043 -8.120 -0.362 338 1HD2 LEU 43 3HD2 LEU 43 -17.595 -4.284 0.266 339 2HD2 LEU 43 1HD2 LEU 43 -17.678 -5.778 1.232 340 3HD2 LEU 43 2HD2 LEU 43 -16.333 -5.527 0.094 341 H VAL 44 H VAL 44 -17.467 -7.219 -4.480 342 HA VAL 44 HA VAL 44 -18.200 -5.584 -6.752 343 HB VAL 44 HB VAL 44 -15.769 -7.358 -6.660 344 1HG1 VAL 44 2HG1 VAL 44 -17.349 -6.513 -9.109 345 2HG1 VAL 44 3HG1 VAL 44 -15.688 -7.148 -9.155 346 3HG1 VAL 44 1HG1 VAL 44 -17.015 -8.170 -8.555 347 1HG2 VAL 44 2HG2 VAL 44 -16.320 -4.498 -7.482 348 2HG2 VAL 44 3HG2 VAL 44 -15.215 -5.102 -6.223 349 3HG2 VAL 44 1HG2 VAL 44 -14.829 -5.354 -7.942 350 HA PRO 45 HA PRO 45 -20.831 -9.127 -6.481 351 1HB PRO 45 1HB PRO 45 -23.027 -7.961 -7.615 352 2HB PRO 45 2HB PRO 45 -22.697 -7.912 -5.894 353 1HG PRO 45 1HG PRO 45 -22.394 -5.764 -7.903 354 2HG PRO 45 2HG PRO 45 -22.482 -5.631 -6.157 355 1HD PRO 45 1HD PRO 45 -20.123 -5.434 -7.777 356 2HD PRO 45 2HD PRO 45 -20.198 -5.417 -6.026 357 H VAL 46 H VAL 46 -21.161 -10.846 -7.806 358 HA VAL 46 HA VAL 46 -20.246 -10.351 -10.518 359 HB VAL 46 HB VAL 46 -20.688 -12.794 -8.816 360 1HG1 VAL 46 3HG1 VAL 46 -20.415 -12.604 -11.801 361 2HG1 VAL 46 1HG1 VAL 46 -19.665 -13.968 -10.937 362 3HG1 VAL 46 2HG1 VAL 46 -21.419 -13.694 -10.815 363 1HG2 VAL 46 2HG2 VAL 46 -18.558 -11.215 -8.859 364 2HG2 VAL 46 3HG2 VAL 46 -18.398 -12.984 -8.743 365 3HG2 VAL 46 1HG2 VAL 46 -18.167 -12.171 -10.309 366 H GLY 47 H GLY 47 -22.961 -12.175 -8.919 367 1HA GLY 47 1HA GLY 47 -24.557 -11.759 -11.350 368 2HA GLY 47 2HA GLY 47 -24.851 -12.933 -10.084 369 H TYR 48 H TYR 48 -25.027 -11.722 -7.736 370 HA TYR 48 HA TYR 48 -25.989 -9.178 -7.505 371 1HB TYR 48 1HB TYR 48 -27.780 -11.066 -8.875 372 2HB TYR 48 2HB TYR 48 -28.508 -10.609 -7.348 373 HD1 TYR 48 1HD TYR 48 -28.318 -7.927 -6.875 374 HD2 TYR 48 2HD TYR 48 -28.369 -9.800 -10.721 375 HE1 TYR 48 1HE TYR 48 -29.147 -5.765 -7.926 376 HE2 TYR 48 2HE TYR 48 -29.198 -7.632 -11.758 377 HH TYR 48 HH TYR 48 -29.036 -5.186 -11.181 378 H GLY 49 H GLY 49 -26.486 -12.628 -6.621 379 1HA GLY 49 1HA GLY 49 -27.267 -11.988 -3.918 380 2HA GLY 49 2HA GLY 49 -26.986 -13.573 -4.611 381 H ILE 50 H ILE 50 -24.437 -13.690 -5.458 382 HA ILE 50 HA ILE 50 -22.970 -13.402 -2.983 383 HB ILE 50 HB ILE 50 -22.631 -14.899 -5.542 384 1HG1 ILE 50 1HG1 ILE 50 -21.905 -16.491 -3.402 385 2HG1 ILE 50 2HG1 ILE 50 -23.147 -15.467 -2.708 386 1HG2 ILE 50 2HG2 ILE 50 -20.477 -13.744 -5.209 387 2HG2 ILE 50 3HG2 ILE 50 -20.376 -14.434 -3.572 388 3HG2 ILE 50 1HG2 ILE 50 -20.350 -15.506 -4.993 389 1HD1 ILE 50 1HD1 ILE 50 -23.671 -16.638 -5.433 390 2HD1 ILE 50 2HD1 ILE 50 -23.771 -17.716 -4.021 391 3HD1 ILE 50 3HD1 ILE 50 -24.814 -16.276 -4.118 392 H LYS 51 H LYS 51 -20.649 -12.571 -3.101 393 HA LYS 51 HA LYS 51 -20.328 -10.502 -5.124 394 1HB LYS 51 1HB LYS 51 -20.672 -10.027 -2.181 395 2HB LYS 51 2HB LYS 51 -19.575 -9.003 -3.085 396 1HG LYS 51 1HG LYS 51 -21.310 -7.840 -3.964 397 2HG LYS 51 2HG LYS 51 -22.000 -9.305 -4.632 398 1HD LYS 51 1HD LYS 51 -22.989 -9.796 -2.327 399 2HD LYS 51 2HD LYS 51 -22.436 -8.213 -1.815 400 1HE LYS 51 1HE LYS 51 -24.008 -8.268 -4.365 401 2HE LYS 51 2HE LYS 51 -24.904 -8.677 -2.915 402 1HZ LYS 51 3HZ LYS 51 -23.284 -6.464 -2.399 403 2HZ LYS 51 1HZ LYS 51 -24.143 -6.174 -3.758 404 3HZ LYS 51 2HZ LYS 51 -24.914 -6.560 -2.372 405 H LYS 52 H LYS 52 -18.051 -9.631 -5.120 406 HA LYS 52 HA LYS 52 -16.266 -11.857 -4.632 407 1HB LYS 52 1HB LYS 52 -16.016 -10.947 -6.777 408 2HB LYS 52 2HB LYS 52 -16.110 -9.294 -6.205 409 1HG LYS 52 1HG LYS 52 -13.880 -9.209 -5.705 410 2HG LYS 52 2HG LYS 52 -13.893 -10.790 -4.952 411 1HD LYS 52 1HD LYS 52 -12.615 -11.337 -6.795 412 2HD LYS 52 2HD LYS 52 -14.192 -11.595 -7.516 413 1HE LYS 52 1HE LYS 52 -13.477 -8.772 -7.703 414 2HE LYS 52 2HE LYS 52 -12.180 -9.753 -8.357 415 1HZ LYS 52 2HZ LYS 52 -15.007 -10.023 -9.113 416 2HZ LYS 52 3HZ LYS 52 -13.879 -9.228 -9.988 417 3HZ LYS 52 1HZ LYS 52 -13.756 -10.842 -9.768 418 H LEU 53 H LEU 53 -14.595 -11.899 -3.141 419 HA LEU 53 HA LEU 53 -14.733 -9.779 -1.142 420 1HB LEU 53 1HB LEU 53 -14.659 -12.548 -0.983 421 2HB LEU 53 2HB LEU 53 -13.028 -12.068 -0.560 422 HG LEU 53 HG LEU 53 -14.488 -12.326 1.403 423 1HD1 LEU 53 3HD1 LEU 53 -13.081 -9.808 0.734 424 2HD1 LEU 53 1HD1 LEU 53 -14.154 -9.753 2.152 425 3HD1 LEU 53 2HD1 LEU 53 -12.837 -10.947 2.081 426 1HD2 LEU 53 2HD2 LEU 53 -16.294 -10.706 -0.190 427 2HD2 LEU 53 3HD2 LEU 53 -16.614 -11.694 1.255 428 3HD2 LEU 53 1HD2 LEU 53 -16.051 -10.015 1.433 429 H GLN 54 H GLN 54 -13.628 -8.176 -2.464 430 HA GLN 54 HA GLN 54 -10.816 -8.830 -2.851 431 1HB GLN 54 1HB GLN 54 -11.812 -8.162 -4.932 432 2HB GLN 54 2HB GLN 54 -12.654 -6.816 -4.192 433 1HG GLN 54 1HG GLN 54 -10.857 -5.439 -4.428 434 2HG GLN 54 2HG GLN 54 -9.770 -6.613 -3.715 435 1HE2 GLN 54 2HE2 GLN 54 -10.059 -6.077 -7.751 436 2HE2 GLN 54 1HE2 GLN 54 -11.020 -5.222 -6.591 437 H ILE 55 H ILE 55 -9.193 -7.549 -1.899 438 HA ILE 55 HA ILE 55 -9.970 -5.137 -0.520 439 HB ILE 55 HB ILE 55 -9.513 -5.783 1.642 440 1HG1 ILE 55 1HG1 ILE 55 -7.380 -6.997 0.995 441 2HG1 ILE 55 2HG1 ILE 55 -8.256 -7.629 2.374 442 1HG2 ILE 55 1HG2 ILE 55 -10.883 -8.159 0.354 443 2HG2 ILE 55 2HG2 ILE 55 -10.891 -7.781 2.093 444 3HG2 ILE 55 3HG2 ILE 55 -11.654 -6.665 0.936 445 1HD1 ILE 55 1HD1 ILE 55 -8.701 -8.719 -0.433 446 2HD1 ILE 55 2HD1 ILE 55 -7.428 -9.350 0.639 447 3HD1 ILE 55 3HD1 ILE 55 -9.138 -9.471 1.120 448 H GLN 56 H GLN 56 -8.189 -3.748 -0.141 449 HA GLN 56 HA GLN 56 -5.766 -4.709 -1.447 450 1HB GLN 56 1HB GLN 56 -6.835 -2.832 -2.620 451 2HB GLN 56 2HB GLN 56 -6.865 -1.879 -1.149 452 1HG GLN 56 1HG GLN 56 -4.950 -1.074 -2.299 453 2HG GLN 56 2HG GLN 56 -4.284 -2.161 -1.097 454 1HE2 GLN 56 2HE2 GLN 56 -2.586 -4.075 -3.406 455 2HE2 GLN 56 1HE2 GLN 56 -2.738 -3.388 -1.824 456 H CYS 57 H CYS 57 -3.712 -4.324 -0.457 457 HA CYS 57 HA CYS 57 -3.821 -3.159 2.213 458 1HB CYS 57 1HB CYS 57 -2.132 -5.112 2.803 459 2HB CYS 57 2HB CYS 57 -3.863 -5.315 2.979 460 HG CYS 57 HG CYS 57 -2.556 -7.436 1.889 461 H VAL 58 H VAL 58 -1.528 -2.609 2.972 462 HA VAL 58 HA VAL 58 0.179 -2.091 0.634 463 HB VAL 58 HB VAL 58 -0.194 -0.418 3.126 464 1HG1 VAL 58 2HG1 VAL 58 1.599 -0.159 0.712 465 2HG1 VAL 58 3HG1 VAL 58 1.087 1.272 1.638 466 3HG1 VAL 58 1HG1 VAL 58 2.008 -0.023 2.439 467 1HG2 VAL 58 3HG2 VAL 58 -1.396 -0.284 0.378 468 2HG2 VAL 58 1HG2 VAL 58 -2.143 0.013 1.967 469 3HG2 VAL 58 2HG2 VAL 58 -1.053 1.228 1.255 470 H VAL 59 H VAL 59 1.176 -4.206 1.009 471 HA VAL 59 HA VAL 59 2.518 -4.564 3.539 472 HB VAL 59 HB VAL 59 3.034 -6.719 2.753 473 1HG1 VAL 59 1HG1 VAL 59 0.314 -5.871 1.714 474 2HG1 VAL 59 2HG1 VAL 59 0.837 -7.564 1.870 475 3HG1 VAL 59 3HG1 VAL 59 0.709 -6.535 3.317 476 1HG2 VAL 59 3HG2 VAL 59 2.330 -5.768 -0.045 477 2HG2 VAL 59 1HG2 VAL 59 3.959 -6.137 0.570 478 3HG2 VAL 59 2HG2 VAL 59 2.755 -7.437 0.406 479 H GLU 60 H GLU 60 4.951 -5.431 3.235 480 HA GLU 60 HA GLU 60 6.299 -3.168 2.116 481 1HB GLU 60 1HB GLU 60 6.843 -5.218 4.134 482 2HB GLU 60 2HB GLU 60 8.215 -5.020 3.063 483 1HG GLU 60 1HG GLU 60 6.886 -2.512 4.066 484 2HG GLU 60 2HG GLU 60 7.824 -3.436 5.223 485 H ASP 61 H ASP 61 8.733 -4.119 1.223 486 HA ASP 61 HA ASP 61 7.927 -5.261 -1.264 487 1HB ASP 61 1HB ASP 61 9.552 -3.591 -1.555 488 2HB ASP 61 2HB ASP 61 10.431 -4.045 -0.108 489 H ASP 62 H ASP 62 10.103 -6.030 1.540 490 HA ASP 62 HA ASP 62 9.783 -8.824 0.894 491 1HB ASP 62 1HB ASP 62 12.062 -7.587 0.051 492 2HB ASP 62 2HB ASP 62 12.544 -7.954 1.697 493 H LYS 63 H LYS 63 8.858 -6.805 2.972 494 HA LYS 63 HA LYS 63 10.314 -7.700 5.336 495 1HB LYS 63 1HB LYS 63 9.450 -5.222 4.625 496 2HB LYS 63 2HB LYS 63 8.086 -5.758 5.584 497 1HG LYS 63 1HG LYS 63 9.997 -6.562 7.279 498 2HG LYS 63 2HG LYS 63 10.964 -5.374 6.426 499 1HD LYS 63 1HD LYS 63 8.256 -4.405 7.188 500 2HD LYS 63 2HD LYS 63 9.275 -4.815 8.554 501 1HE LYS 63 1HE LYS 63 11.032 -3.293 7.799 502 2HE LYS 63 2HE LYS 63 10.219 -3.022 6.270 503 1HZ LYS 63 3HZ LYS 63 8.324 -2.349 7.993 504 2HZ LYS 63 1HZ LYS 63 9.645 -1.910 8.846 505 3HZ LYS 63 2HZ LYS 63 9.388 -1.285 7.360 506 H VAL 64 H VAL 64 6.817 -7.114 4.532 507 HA VAL 64 HA VAL 64 6.241 -9.567 6.037 508 HB VAL 64 HB VAL 64 5.372 -7.144 6.625 509 1HG1 VAL 64 2HG1 VAL 64 4.380 -6.997 4.235 510 2HG1 VAL 64 3HG1 VAL 64 3.089 -8.044 4.872 511 3HG1 VAL 64 1HG1 VAL 64 3.386 -6.451 5.606 512 1HG2 VAL 64 2HG2 VAL 64 4.844 -9.427 7.677 513 2HG2 VAL 64 3HG2 VAL 64 3.643 -8.130 7.886 514 3HG2 VAL 64 1HG2 VAL 64 3.371 -9.410 6.679 515 H GLY 65 H GLY 65 4.856 -11.149 5.130 516 1HA GLY 65 1HA GLY 65 4.522 -10.879 2.206 517 2HA GLY 65 2HA GLY 65 4.783 -12.381 3.069 518 H THR 66 H THR 66 2.591 -12.004 1.290 519 HA THR 66 HA THR 66 0.257 -11.309 2.799 520 HB THR 66 HB THR 66 0.915 -12.384 0.036 521 HG1 THR 66 1HG THR 66 0.308 -10.262 -0.358 522 1HG2 THR 66 2HG2 THR 66 -1.683 -12.605 1.511 523 2HG2 THR 66 3HG2 THR 66 -1.775 -11.827 -0.087 524 3HG2 THR 66 1HG2 THR 66 -1.129 -13.479 0.062 525 H ASP 67 H ASP 67 2.245 -14.152 2.440 526 HA ASP 67 HA ASP 67 0.590 -16.203 2.620 527 1HB ASP 67 1HB ASP 67 2.305 -17.136 4.383 528 2HB ASP 67 2HB ASP 67 2.864 -16.757 2.767 529 H MET 68 H MET 68 1.764 -14.231 5.458 530 HA MET 68 HA MET 68 0.324 -15.481 7.396 531 1HB MET 68 1HB MET 68 1.996 -13.244 7.169 532 2HB MET 68 2HB MET 68 0.480 -12.509 7.652 533 1HG MET 68 1HG MET 68 0.680 -14.748 9.344 534 2HG MET 68 2HG MET 68 2.333 -14.180 9.231 535 1HE MET 68 3HE MET 68 -1.084 -12.916 8.974 536 2HE MET 68 1HE MET 68 -1.429 -12.521 10.676 537 3HE MET 68 2HE MET 68 -0.961 -11.233 9.540 538 H LEU 69 H LEU 69 -0.688 -12.868 5.138 539 HA LEU 69 HA LEU 69 -3.151 -12.360 6.410 540 1HB LEU 69 1HB LEU 69 -1.990 -11.780 3.702 541 2HB LEU 69 2HB LEU 69 -3.669 -11.419 4.053 542 HG LEU 69 HG LEU 69 -1.240 -10.287 5.465 543 1HD1 LEU 69 3HD1 LEU 69 -3.262 -9.093 3.557 544 2HD1 LEU 69 1HD1 LEU 69 -2.155 -8.123 4.558 545 3HD1 LEU 69 2HD1 LEU 69 -1.501 -9.248 3.344 546 1HD2 LEU 69 2HD2 LEU 69 -3.978 -10.546 6.383 547 2HD2 LEU 69 3HD2 LEU 69 -2.533 -9.962 7.242 548 3HD2 LEU 69 1HD2 LEU 69 -3.494 -8.837 6.253 549 H GLU 70 H GLU 70 -2.118 -14.545 3.731 550 HA GLU 70 HA GLU 70 -4.713 -15.402 3.163 551 1HB GLU 70 1HB GLU 70 -2.523 -15.610 1.764 552 2HB GLU 70 2HB GLU 70 -2.206 -17.056 2.703 553 1HG GLU 70 1HG GLU 70 -4.527 -17.898 2.024 554 2HG GLU 70 2HG GLU 70 -4.641 -16.524 0.941 555 H GLU 71 H GLU 71 -2.091 -16.662 5.302 556 HA GLU 71 HA GLU 71 -3.603 -18.939 6.027 557 1HB GLU 71 1HB GLU 71 -1.740 -19.556 7.296 558 2HB GLU 71 2HB GLU 71 -1.006 -18.543 6.070 559 1HG GLU 71 1HG GLU 71 -1.305 -16.570 7.719 560 2HG GLU 71 2HG GLU 71 -1.699 -17.768 8.934 561 H GLN 72 H GLN 72 -4.121 -15.722 6.645 562 HA GLN 72 HA GLN 72 -5.066 -16.271 9.348 563 1HB GLN 72 1HB GLN 72 -3.421 -14.442 9.234 564 2HB GLN 72 2HB GLN 72 -4.369 -13.621 8.009 565 1HG GLN 72 1HG GLN 72 -5.273 -12.498 9.787 566 2HG GLN 72 2HG GLN 72 -6.279 -13.923 9.952 567 1HE2 GLN 72 2HE2 GLN 72 -4.949 -13.314 13.291 568 2HE2 GLN 72 1HE2 GLN 72 -6.056 -12.619 12.154 569 H ILE 73 H ILE 73 -5.870 -14.608 6.229 570 HA ILE 73 HA ILE 73 -8.577 -14.178 7.012 571 HB ILE 73 HB ILE 73 -7.187 -13.974 4.338 572 1HG1 ILE 73 1HG1 ILE 73 -7.985 -11.701 6.159 573 2HG1 ILE 73 2HG1 ILE 73 -6.431 -12.498 6.315 574 1HG2 ILE 73 2HG2 ILE 73 -9.778 -14.285 4.444 575 2HG2 ILE 73 3HG2 ILE 73 -9.767 -12.596 5.008 576 3HG2 ILE 73 1HG2 ILE 73 -9.071 -13.009 3.423 577 1HD1 ILE 73 2HD1 ILE 73 -7.316 -11.588 3.572 578 2HD1 ILE 73 3HD1 ILE 73 -6.700 -10.384 4.730 579 3HD1 ILE 73 1HD1 ILE 73 -5.669 -11.746 4.230 580 H THR 74 H THR 74 -7.098 -16.223 4.390 581 HA THR 74 HA THR 74 -9.407 -17.689 3.892 582 HB THR 74 HB THR 74 -6.917 -17.436 2.779 583 HG1 THR 74 1HG THR 74 -8.259 -18.485 1.371 584 1HG2 THR 74 3HG2 THR 74 -6.286 -19.256 4.719 585 2HG2 THR 74 1HG2 THR 74 -6.936 -20.356 3.480 586 3HG2 THR 74 2HG2 THR 74 -5.558 -19.297 3.096 587 H ALA 75 H ALA 75 -7.138 -17.858 6.563 588 HA ALA 75 HA ALA 75 -7.197 -20.397 7.393 589 1HB ALA 75 1HB ALA 75 -6.338 -18.174 8.494 590 2HB ALA 75 2HB ALA 75 -7.899 -18.208 9.348 591 3HB ALA 75 3HB ALA 75 -6.755 -19.559 9.530 592 H PHE 76 H PHE 76 -9.951 -18.147 7.234 593 HA PHE 76 HA PHE 76 -11.643 -19.945 8.722 594 1HB PHE 76 1HB PHE 76 -11.606 -17.187 7.600 595 2HB PHE 76 2HB PHE 76 -13.157 -17.965 7.347 596 HD1 PHE 76 1HD PHE 76 -13.437 -19.575 9.799 597 HD2 PHE 76 2HD PHE 76 -11.976 -15.626 9.276 598 HE1 PHE 76 1HE PHE 76 -14.101 -19.017 12.154 599 HE2 PHE 76 2HE PHE 76 -12.641 -15.068 11.632 600 HZ PHE 76 HZ PHE 76 -13.695 -16.771 13.043 601 H GLU 77 H GLU 77 -11.228 -21.812 7.199 602 HA GLU 77 HA GLU 77 -12.029 -21.667 4.548 603 1HB GLU 77 1HB GLU 77 -12.372 -24.306 5.110 604 2HB GLU 77 2HB GLU 77 -10.803 -23.576 4.841 605 1HG GLU 77 1HG GLU 77 -10.290 -23.486 7.149 606 2HG GLU 77 2HG GLU 77 -11.973 -23.540 7.632 607 H ASP 78 H ASP 78 -13.862 -21.502 7.437 608 HA ASP 78 HA ASP 78 -16.157 -22.826 6.385 609 1HB ASP 78 1HB ASP 78 -15.274 -21.681 8.931 610 2HB ASP 78 2HB ASP 78 -16.906 -21.156 8.564 611 H TYR 79 H TYR 79 -14.671 -20.112 5.406 612 HA TYR 79 HA TYR 79 -17.174 -18.793 4.721 613 1HB TYR 79 1HB TYR 79 -14.705 -17.615 6.134 614 2HB TYR 79 2HB TYR 79 -15.899 -16.595 5.356 615 HD1 TYR 79 1HD TYR 79 -18.179 -16.384 6.294 616 HD2 TYR 79 2HD TYR 79 -15.164 -18.698 8.258 617 HE1 TYR 79 1HE TYR 79 -19.556 -16.379 8.431 618 HE2 TYR 79 2HE TYR 79 -16.551 -18.685 10.388 619 HH TYR 79 HH TYR 79 -19.776 -17.831 10.432 620 H VAL 80 H VAL 80 -13.573 -18.941 4.426 621 HA VAL 80 HA VAL 80 -13.703 -17.659 1.843 622 HB VAL 80 HB VAL 80 -11.476 -18.777 3.548 623 1HG1 VAL 80 2HG1 VAL 80 -11.452 -17.803 0.712 624 2HG1 VAL 80 3HG1 VAL 80 -10.074 -17.411 1.770 625 3HG1 VAL 80 1HG1 VAL 80 -10.520 -19.110 1.480 626 1HG2 VAL 80 2HG2 VAL 80 -12.518 -16.016 2.931 627 2HG2 VAL 80 3HG2 VAL 80 -12.160 -16.763 4.507 628 3HG2 VAL 80 1HG2 VAL 80 -10.829 -16.263 3.436 629 H GLN 81 H GLN 81 -13.765 -18.676 -0.113 630 HA GLN 81 HA GLN 81 -14.047 -21.524 -0.030 631 1HB GLN 81 1HB GLN 81 -15.584 -20.092 -1.376 632 2HB GLN 81 2HB GLN 81 -14.236 -19.569 -2.366 633 1HG GLN 81 1HG GLN 81 -13.922 -22.278 -2.575 634 2HG GLN 81 2HG GLN 81 -15.655 -22.209 -2.326 635 1HE2 GLN 81 2HE2 GLN 81 -13.882 -20.667 -5.726 636 2HE2 GLN 81 1HE2 GLN 81 -12.984 -21.005 -4.284 637 H SER 82 H SER 82 -11.728 -19.052 -1.169 638 HA SER 82 HA SER 82 -9.559 -20.635 -1.012 639 1HB SER 82 1HB SER 82 -11.006 -21.000 -3.614 640 2HB SER 82 2HB SER 82 -9.263 -20.837 -3.704 641 HG SER 82 HG SER 82 -9.641 -22.538 -1.704 642 H MET 83 H MET 83 -8.085 -19.006 -0.720 643 HA MET 83 HA MET 83 -8.580 -16.461 -1.849 644 1HB MET 83 1HB MET 83 -7.550 -16.735 0.392 645 2HB MET 83 2HB MET 83 -6.225 -17.659 -0.289 646 1HG MET 83 1HG MET 83 -6.740 -14.858 -1.321 647 2HG MET 83 2HG MET 83 -5.930 -15.060 0.220 648 1HE MET 83 1HE MET 83 -3.884 -14.609 0.278 649 2HE MET 83 2HE MET 83 -2.515 -15.218 -0.685 650 3HE MET 83 3HE MET 83 -3.473 -13.838 -1.273 651 H ASP 84 H ASP 84 -7.086 -15.238 -3.252 652 HA ASP 84 HA ASP 84 -5.194 -16.862 -4.695 653 1HB ASP 84 1HB ASP 84 -7.715 -15.668 -5.838 654 2HB ASP 84 2HB ASP 84 -6.274 -15.601 -6.832 655 H VAL 85 H VAL 85 -4.450 -15.065 -6.690 656 HA VAL 85 HA VAL 85 -3.872 -12.616 -5.169 657 HB VAL 85 HB VAL 85 -2.232 -14.105 -7.227 658 1HG1 VAL 85 2HG1 VAL 85 -2.049 -11.332 -6.170 659 2HG1 VAL 85 3HG1 VAL 85 -0.528 -12.250 -6.264 660 3HG1 VAL 85 1HG1 VAL 85 -1.513 -12.007 -7.727 661 1HG2 VAL 85 2HG2 VAL 85 -2.013 -13.749 -4.235 662 2HG2 VAL 85 3HG2 VAL 85 -1.992 -15.251 -5.192 663 3HG2 VAL 85 1HG2 VAL 85 -0.596 -14.148 -5.235 664 H ALA 86 H ALA 86 -4.548 -10.703 -6.027 665 HA ALA 86 HA ALA 86 -5.967 -10.850 -8.551 666 1HB ALA 86 2HB ALA 86 -6.553 -9.647 -6.197 667 2HB ALA 86 3HB ALA 86 -5.727 -8.301 -7.017 668 3HB ALA 86 1HB ALA 86 -7.155 -9.057 -7.765 669 H ALA 87 H ALA 87 -2.974 -9.572 -7.115 670 HA ALA 87 HA ALA 87 -1.707 -9.301 -9.562 671 1HB ALA 87 3HB ALA 87 -3.548 -7.309 -9.395 672 2HB ALA 87 1HB ALA 87 -2.170 -6.524 -8.589 673 3HB ALA 87 2HB ALA 87 -1.995 -7.141 -10.249 674 H PHE 88 H PHE 88 0.417 -7.940 -9.249 675 HA PHE 88 HA PHE 88 1.152 -7.714 -6.456 676 1HB PHE 88 1HB PHE 88 1.698 -10.006 -8.137 677 2HB PHE 88 2HB PHE 88 3.213 -9.137 -7.989 678 HD1 PHE 88 1HD PHE 88 0.427 -10.419 -5.862 679 HD2 PHE 88 2HD PHE 88 4.575 -9.577 -6.172 680 HE1 PHE 88 1HE PHE 88 0.807 -11.464 -3.612 681 HE2 PHE 88 2HE PHE 88 4.955 -10.622 -3.923 682 HZ PHE 88 HZ PHE 88 3.067 -11.552 -2.669 683 H ASN 89 H ASN 89 1.537 -5.495 -6.729 684 HA ASN 89 HA ASN 89 3.855 -4.945 -8.379 685 1HB ASN 89 1HB ASN 89 1.116 -3.724 -8.611 686 2HB ASN 89 2HB ASN 89 2.459 -2.600 -8.694 687 1HD2 ASN 89 2HD2 ASN 89 2.549 -3.192 -12.124 688 2HD2 ASN 89 1HD2 ASN 89 2.224 -2.102 -10.817 689 H LYS 90 H LYS 90 4.291 -2.294 -7.841 690 HA LYS 90 HA LYS 90 4.551 -2.284 -4.949 691 1HB LYS 90 1HB LYS 90 5.940 -0.151 -5.618 692 2HB LYS 90 2HB LYS 90 6.599 -1.760 -5.823 693 1HG LYS 90 1HG LYS 90 6.244 -1.756 -8.170 694 2HG LYS 90 2HG LYS 90 5.023 -0.503 -8.086 695 1HD LYS 90 1HD LYS 90 6.618 1.226 -7.795 696 2HD LYS 90 2HD LYS 90 7.851 0.129 -7.204 697 1HE LYS 90 1HE LYS 90 8.684 0.268 -9.334 698 2HE LYS 90 2HE LYS 90 7.446 -0.911 -9.717 699 1HZ LYS 90 1HZ LYS 90 6.093 1.377 -9.856 700 2HZ LYS 90 2HZ LYS 90 7.560 1.866 -10.378 701 3HZ LYS 90 3HZ LYS 90 6.788 0.645 -11.139 702 H ILE 91 H ILE 91 3.852 -0.593 -3.646 703 HA ILE 91 HA ILE 91 1.359 0.639 -4.568 704 HB ILE 91 HB ILE 91 1.401 -0.384 -2.365 705 1HG1 ILE 91 1HG1 ILE 91 1.237 2.018 -1.040 706 2HG1 ILE 91 2HG1 ILE 91 1.049 2.539 -2.731 707 1HG2 ILE 91 1HG2 ILE 91 4.037 0.479 -2.299 708 2HG2 ILE 91 2HG2 ILE 91 3.241 1.568 -1.137 709 3HG2 ILE 91 3HG2 ILE 91 3.140 -0.196 -0.917 710 1HD1 ILE 91 1HD1 ILE 91 -0.743 0.848 -3.043 711 2HD1 ILE 91 2HD1 ILE 91 -0.566 0.359 -1.341 712 3HD1 ILE 91 3HD1 ILE 91 -1.146 1.993 -1.741 No H/Q in entry = 712 Start of MODEL 5 1 1H MET 1 3HN MET 1 8.905 -1.544 9.294 2 2H MET 1 H MET 1 9.718 -2.524 10.353 3 3H MET 1 2HN MET 1 8.230 -1.922 10.759 4 HA MET 1 HA MET 1 8.968 0.191 11.063 5 1HB MET 1 1HB MET 1 10.780 -1.973 12.103 6 2HB MET 1 2HB MET 1 11.204 -0.270 12.402 7 1HG MET 1 1HG MET 1 8.390 -1.203 12.904 8 2HG MET 1 2HG MET 1 9.650 -1.601 14.084 9 1HE MET 1 2HE MET 1 7.770 0.762 12.101 10 2HE MET 1 3HE MET 1 6.950 1.471 13.513 11 3HE MET 1 1HE MET 1 8.181 2.410 12.634 12 H LEU 2 H LEU 2 9.738 -0.666 8.247 13 HA LEU 2 HA LEU 2 12.077 1.084 8.089 14 1HB LEU 2 1HB LEU 2 12.153 -1.683 7.674 15 2HB LEU 2 2HB LEU 2 12.126 -0.987 6.066 16 HG LEU 2 HG LEU 2 14.010 0.567 7.391 17 1HD1 LEU 2 2HD1 LEU 2 14.002 -0.946 9.306 18 2HD1 LEU 2 3HD1 LEU 2 14.371 -2.321 8.237 19 3HD1 LEU 2 1HD1 LEU 2 15.558 -1.011 8.443 20 1HD2 LEU 2 1HD2 LEU 2 14.136 -0.223 5.083 21 2HD2 LEU 2 2HD2 LEU 2 15.636 -0.585 5.970 22 3HD2 LEU 2 3HD2 LEU 2 14.453 -1.877 5.655 23 H VAL 3 H VAL 3 12.380 1.486 5.479 24 HA VAL 3 HA VAL 3 9.755 2.502 4.698 25 HB VAL 3 HB VAL 3 12.007 3.842 4.957 26 1HG1 VAL 3 2HG1 VAL 3 13.190 2.279 3.344 27 2HG1 VAL 3 3HG1 VAL 3 12.216 3.016 2.048 28 3HG1 VAL 3 1HG1 VAL 3 13.343 4.018 2.994 29 1HG2 VAL 3 3HG2 VAL 3 9.574 4.231 3.592 30 2HG2 VAL 3 1HG2 VAL 3 10.738 5.472 4.117 31 3HG2 VAL 3 2HG2 VAL 3 10.848 4.785 2.479 32 H ALA 4 H ALA 4 9.713 2.666 2.062 33 HA ALA 4 HA ALA 4 9.715 1.596 0.100 34 1HB ALA 4 2HB ALA 4 12.025 0.687 1.014 35 2HB ALA 4 3HB ALA 4 11.113 -0.828 1.212 36 3HB ALA 4 1HB ALA 4 11.252 -0.077 -0.396 37 H LYS 5 H LYS 5 7.409 1.537 0.490 38 HA LYS 5 HA LYS 5 6.457 -1.044 1.500 39 1HB LYS 5 1HB LYS 5 5.166 1.684 1.314 40 2HB LYS 5 2HB LYS 5 4.238 0.228 1.608 41 1HG LYS 5 1HG LYS 5 6.652 0.999 3.304 42 2HG LYS 5 2HG LYS 5 5.025 1.518 3.694 43 1HD LYS 5 1HD LYS 5 4.905 -1.308 3.174 44 2HD LYS 5 2HD LYS 5 6.279 -1.038 4.227 45 1HE LYS 5 1HE LYS 5 4.172 0.620 5.230 46 2HE LYS 5 2HE LYS 5 3.441 -0.932 4.870 47 1HZ LYS 5 1HZ LYS 5 5.583 -1.775 6.061 48 2HZ LYS 5 2HZ LYS 5 5.536 -0.303 6.766 49 3HZ LYS 5 3HZ LYS 5 4.269 -1.321 6.918 50 H SER 6 H SER 6 4.284 -1.720 0.340 51 HA SER 6 HA SER 6 4.313 -1.024 -2.441 52 1HB SER 6 1HB SER 6 5.880 -2.787 -2.646 53 2HB SER 6 2HB SER 6 5.107 -3.755 -1.407 54 HG SER 6 HG SER 6 3.536 -4.418 -2.816 55 H SER 7 H SER 7 2.433 -2.334 -3.594 56 HA SER 7 HA SER 7 0.284 -2.525 -1.634 57 1HB SER 7 1HB SER 7 -0.588 -0.892 -2.968 58 2HB SER 7 2HB SER 7 0.499 -1.255 -4.294 59 HG SER 7 HG SER 7 -1.471 -1.856 -5.093 60 H ILE 8 H ILE 8 -1.026 -4.389 -1.616 61 HA ILE 8 HA ILE 8 -0.565 -6.344 -3.732 62 HB ILE 8 HB ILE 8 -0.404 -7.059 -0.805 63 1HG1 ILE 8 1HG1 ILE 8 1.500 -5.592 -1.636 64 2HG1 ILE 8 2HG1 ILE 8 1.939 -7.132 -0.926 65 1HG2 ILE 8 3HG2 ILE 8 -0.426 -8.572 -3.353 66 2HG2 ILE 8 1HG2 ILE 8 0.767 -9.090 -2.137 67 3HG2 ILE 8 2HG2 ILE 8 -0.965 -9.043 -1.724 68 1HD1 ILE 8 3HD1 ILE 8 1.618 -6.676 -3.928 69 2HD1 ILE 8 1HD1 ILE 8 3.173 -6.627 -3.064 70 3HD1 ILE 8 2HD1 ILE 8 2.242 -8.143 -3.135 71 H LEU 9 H LEU 9 -2.562 -6.530 -4.606 72 HA LEU 9 HA LEU 9 -4.854 -6.299 -2.831 73 1HB LEU 9 1HB LEU 9 -4.611 -5.024 -5.000 74 2HB LEU 9 2HB LEU 9 -4.808 -6.551 -5.837 75 HG LEU 9 HG LEU 9 -7.023 -6.751 -4.477 76 1HD1 LEU 9 3HD1 LEU 9 -6.311 -4.675 -3.092 77 2HD1 LEU 9 1HD1 LEU 9 -6.914 -3.747 -4.486 78 3HD1 LEU 9 2HD1 LEU 9 -8.006 -4.842 -3.606 79 1HD2 LEU 9 1HD2 LEU 9 -6.646 -6.325 -6.982 80 2HD2 LEU 9 2HD2 LEU 9 -8.223 -5.881 -6.284 81 3HD2 LEU 9 3HD2 LEU 9 -7.009 -4.622 -6.611 82 H LEU 10 H LEU 10 -6.285 -7.970 -2.389 83 HA LEU 10 HA LEU 10 -5.514 -10.576 -3.506 84 1HB LEU 10 1HB LEU 10 -5.075 -9.894 -0.960 85 2HB LEU 10 2HB LEU 10 -6.745 -10.404 -0.805 86 HG LEU 10 HG LEU 10 -6.021 -12.580 -1.969 87 1HD1 LEU 10 2HD1 LEU 10 -3.772 -11.461 -2.634 88 2HD1 LEU 10 3HD1 LEU 10 -3.262 -11.906 -0.988 89 3HD1 LEU 10 1HD1 LEU 10 -3.788 -13.168 -2.128 90 1HD2 LEU 10 1HD2 LEU 10 -5.048 -11.881 0.813 91 2HD2 LEU 10 2HD2 LEU 10 -6.639 -12.535 0.355 92 3HD2 LEU 10 3HD2 LEU 10 -5.178 -13.535 0.167 93 H ASP 11 H ASP 11 -7.360 -12.185 -3.491 94 HA ASP 11 HA ASP 11 -9.929 -10.859 -3.571 95 1HB ASP 11 1HB ASP 11 -8.717 -11.074 -5.913 96 2HB ASP 11 2HB ASP 11 -9.132 -12.772 -5.788 97 H VAL 12 H VAL 12 -10.976 -12.108 -1.996 98 HA VAL 12 HA VAL 12 -10.443 -14.986 -1.991 99 HB VAL 12 HB VAL 12 -11.969 -13.491 0.113 100 1HG1 VAL 12 1HG1 VAL 12 -11.092 -16.156 -0.243 101 2HG1 VAL 12 2HG1 VAL 12 -10.085 -15.464 1.050 102 3HG1 VAL 12 3HG1 VAL 12 -11.859 -15.439 1.194 103 1HG2 VAL 12 3HG2 VAL 12 -8.948 -13.574 -0.170 104 2HG2 VAL 12 1HG2 VAL 12 -9.991 -12.132 -0.182 105 3HG2 VAL 12 2HG2 VAL 12 -9.816 -13.092 1.307 106 H LYS 13 H LYS 13 -12.050 -16.483 -2.407 107 HA LYS 13 HA LYS 13 -14.537 -15.332 -3.418 108 1HB LYS 13 1HB LYS 13 -12.966 -16.897 -4.771 109 2HB LYS 13 2HB LYS 13 -13.632 -18.185 -3.788 110 1HG LYS 13 1HG LYS 13 -15.712 -16.368 -4.854 111 2HG LYS 13 2HG LYS 13 -14.782 -17.148 -6.118 112 1HD LYS 13 1HD LYS 13 -15.195 -19.374 -4.913 113 2HD LYS 13 2HD LYS 13 -16.300 -18.521 -3.854 114 1HE LYS 13 1HE LYS 13 -17.895 -19.003 -5.415 115 2HE LYS 13 2HE LYS 13 -17.194 -17.693 -6.344 116 1HZ LYS 13 3HZ LYS 13 -15.605 -19.828 -6.863 117 2HZ LYS 13 1HZ LYS 13 -17.107 -20.468 -6.848 118 3HZ LYS 13 2HZ LYS 13 -16.758 -19.226 -7.849 119 HA PRO 14 HA PRO 14 -16.434 -16.782 0.222 120 1HB PRO 14 1HB PRO 14 -18.956 -15.865 -0.299 121 2HB PRO 14 2HB PRO 14 -17.704 -14.870 0.417 122 1HG PRO 14 1HG PRO 14 -18.749 -14.828 -2.347 123 2HG PRO 14 2HG PRO 14 -17.831 -13.598 -1.502 124 1HD PRO 14 1HD PRO 14 -16.843 -15.414 -3.490 125 2HD PRO 14 2HD PRO 14 -15.902 -14.264 -2.561 126 H TRP 15 H TRP 15 -17.360 -18.636 0.952 127 HA TRP 15 HA TRP 15 -17.594 -20.742 -0.706 128 1HB TRP 15 1HB TRP 15 -18.484 -20.066 1.976 129 2HB TRP 15 2HB TRP 15 -19.582 -21.186 1.194 130 HD1 TRP 15 HD TRP 15 -17.059 -21.625 3.538 131 HE1 TRP 15 1HE TRP 15 -15.561 -23.786 3.316 132 HE3 TRP 15 3HE TRP 15 -18.225 -22.572 -1.320 133 HZ2 TRP 15 2HZ TRP 15 -15.044 -25.607 1.181 134 HZ3 TRP 15 3HZ TRP 15 -17.181 -24.561 -2.399 135 HH2 TRP 15 HH TRP 15 -15.639 -26.055 -1.229 136 H ASP 16 H ASP 16 -19.995 -18.161 -0.033 137 HA ASP 16 HA ASP 16 -21.210 -18.450 -2.478 138 1HB ASP 16 1HB ASP 16 -22.171 -20.322 -0.469 139 2HB ASP 16 2HB ASP 16 -23.451 -19.185 -0.846 140 H ASP 17 H ASP 17 -23.766 -17.443 -2.048 141 HA ASP 17 HA ASP 17 -23.273 -14.871 -1.215 142 1HB ASP 17 1HB ASP 17 -25.458 -14.470 -1.861 143 2HB ASP 17 2HB ASP 17 -25.244 -16.038 -2.615 144 H GLU 18 H GLU 18 -23.854 -17.784 0.572 145 HA GLU 18 HA GLU 18 -25.204 -16.603 2.758 146 1HB GLU 18 1HB GLU 18 -24.896 -18.775 3.842 147 2HB GLU 18 2HB GLU 18 -25.387 -19.021 2.177 148 1HG GLU 18 1HG GLU 18 -23.072 -19.486 1.500 149 2HG GLU 18 2HG GLU 18 -22.473 -19.056 3.089 150 H THR 19 H THR 19 -21.829 -17.102 1.777 151 HA THR 19 HA THR 19 -20.645 -16.786 4.310 152 HB THR 19 HB THR 19 -19.796 -16.540 1.404 153 HG1 THR 19 1HG THR 19 -19.847 -18.646 2.289 154 1HG2 THR 19 3HG2 THR 19 -18.222 -15.784 3.901 155 2HG2 THR 19 1HG2 THR 19 -17.403 -16.492 2.489 156 3HG2 THR 19 2HG2 THR 19 -18.271 -14.945 2.333 157 H ASP 20 H ASP 20 -20.986 -15.128 5.654 158 HA ASP 20 HA ASP 20 -22.036 -12.757 5.076 159 1HB ASP 20 1HB ASP 20 -20.450 -13.896 7.222 160 2HB ASP 20 2HB ASP 20 -19.948 -12.234 6.984 161 H MET 21 H MET 21 -21.063 -10.533 4.805 162 HA MET 21 HA MET 21 -18.541 -10.714 3.352 163 1HB MET 21 1HB MET 21 -21.004 -8.928 3.099 164 2HB MET 21 2HB MET 21 -19.475 -8.414 2.413 165 1HG MET 21 1HG MET 21 -19.884 -11.156 1.625 166 2HG MET 21 2HG MET 21 -21.384 -10.299 1.328 167 1HE MET 21 2HE MET 21 -18.407 -11.474 -0.013 168 2HE MET 21 3HE MET 21 -19.685 -11.418 -1.251 169 3HE MET 21 1HE MET 21 -18.160 -10.538 -1.507 170 H ALA 22 H ALA 22 -20.421 -8.963 5.845 171 HA ALA 22 HA ALA 22 -18.654 -6.845 6.239 172 1HB ALA 22 1HB ALA 22 -21.088 -7.750 7.270 173 2HB ALA 22 2HB ALA 22 -19.985 -7.804 8.666 174 3HB ALA 22 3HB ALA 22 -20.211 -6.283 7.769 175 H LYS 23 H LYS 23 -19.073 -9.716 8.430 176 HA LYS 23 HA LYS 23 -16.775 -9.366 9.852 177 1HB LYS 23 1HB LYS 23 -18.476 -11.741 9.176 178 2HB LYS 23 2HB LYS 23 -16.956 -12.003 10.008 179 1HG LYS 23 1HG LYS 23 -18.311 -9.757 11.246 180 2HG LYS 23 2HG LYS 23 -19.441 -11.090 11.119 181 1HD LYS 23 1HD LYS 23 -18.068 -12.548 12.411 182 2HD LYS 23 2HD LYS 23 -16.629 -11.583 12.150 183 1HE LYS 23 1HE LYS 23 -18.787 -10.051 13.470 184 2HE LYS 23 2HE LYS 23 -18.307 -11.461 14.393 185 1HZ LYS 23 1HZ LYS 23 -16.336 -9.593 13.294 186 2HZ LYS 23 2HZ LYS 23 -17.007 -9.378 14.767 187 3HZ LYS 23 3HZ LYS 23 -16.116 -10.712 14.464 188 H LEU 24 H LEU 24 -17.157 -11.596 7.002 189 HA LEU 24 HA LEU 24 -14.615 -12.413 6.728 190 1HB LEU 24 1HB LEU 24 -16.893 -12.567 5.257 191 2HB LEU 24 2HB LEU 24 -15.898 -11.581 4.204 192 HG LEU 24 HG LEU 24 -15.160 -14.315 5.285 193 1HD1 LEU 24 2HD1 LEU 24 -16.936 -13.730 3.265 194 2HD1 LEU 24 3HD1 LEU 24 -15.409 -13.983 2.386 195 3HD1 LEU 24 1HD1 LEU 24 -16.039 -15.255 3.460 196 1HD2 LEU 24 3HD2 LEU 24 -13.569 -12.210 4.017 197 2HD2 LEU 24 1HD2 LEU 24 -13.058 -13.662 4.909 198 3HD2 LEU 24 2HD2 LEU 24 -13.468 -13.779 3.181 199 H GLU 25 H GLU 25 -15.961 -9.243 5.642 200 HA GLU 25 HA GLU 25 -13.516 -8.424 4.527 201 1HB GLU 25 1HB GLU 25 -15.722 -7.497 3.848 202 2HB GLU 25 2HB GLU 25 -15.922 -6.782 5.435 203 1HG GLU 25 1HG GLU 25 -13.602 -5.623 4.945 204 2HG GLU 25 2HG GLU 25 -13.926 -6.038 3.273 205 H GLU 26 H GLU 26 -15.292 -7.312 7.509 206 HA GLU 26 HA GLU 26 -13.411 -5.689 8.510 207 1HB GLU 26 1HB GLU 26 -15.401 -7.540 9.843 208 2HB GLU 26 2HB GLU 26 -14.322 -6.573 10.828 209 1HG GLU 26 1HG GLU 26 -15.860 -5.233 8.591 210 2HG GLU 26 2HG GLU 26 -16.695 -5.619 10.082 211 H CYS 27 H CYS 27 -13.661 -9.265 9.110 212 HA CYS 27 HA CYS 27 -11.629 -9.646 10.803 213 1HB CYS 27 1HB CYS 27 -13.009 -11.252 8.825 214 2HB CYS 27 2HB CYS 27 -11.320 -11.714 8.902 215 HG CYS 27 HG CYS 27 -13.593 -11.496 11.288 216 H VAL 28 H VAL 28 -11.349 -9.530 7.171 217 HA VAL 28 HA VAL 28 -8.656 -9.799 6.933 218 HB VAL 28 HB VAL 28 -10.481 -7.965 5.367 219 1HG1 VAL 28 2HG1 VAL 28 -7.656 -8.679 5.081 220 2HG1 VAL 28 3HG1 VAL 28 -8.613 -9.046 3.625 221 3HG1 VAL 28 1HG1 VAL 28 -8.600 -7.395 4.289 222 1HG2 VAL 28 3HG2 VAL 28 -10.540 -10.795 5.693 223 2HG2 VAL 28 1HG2 VAL 28 -11.510 -9.785 4.595 224 3HG2 VAL 28 2HG2 VAL 28 -9.953 -10.453 4.048 225 H ARG 29 H ARG 29 -10.537 -6.845 7.784 226 HA ARG 29 HA ARG 29 -8.347 -5.144 7.696 227 1HB ARG 29 1HB ARG 29 -11.154 -5.042 8.504 228 2HB ARG 29 2HB ARG 29 -10.175 -4.163 9.664 229 1HG ARG 29 1HG ARG 29 -9.050 -3.219 7.376 230 2HG ARG 29 2HG ARG 29 -10.642 -3.596 6.750 231 1HD ARG 29 1HD ARG 29 -11.721 -2.153 8.399 232 2HD ARG 29 2HD ARG 29 -10.223 -1.942 9.283 233 HE ARG 29 HE ARG 29 -9.595 -0.288 7.758 234 1HH1 ARG 29 2HH2 ARG 29 -12.103 -2.281 6.302 235 2HH1 ARG 29 1HH2 ARG 29 -12.257 -1.284 4.893 236 1HH2 ARG 29 2HH1 ARG 29 -9.798 1.028 5.900 237 2HH2 ARG 29 1HH1 ARG 29 -10.937 0.610 4.664 238 H SER 30 H SER 30 -9.985 -6.887 10.433 239 HA SER 30 HA SER 30 -8.711 -5.975 12.548 240 1HB SER 30 1HB SER 30 -9.755 -7.745 13.482 241 2HB SER 30 2HB SER 30 -10.095 -8.354 11.875 242 HG SER 30 HG SER 30 -8.715 -9.940 12.231 243 H ILE 31 H ILE 31 -7.394 -8.600 10.396 244 HA ILE 31 HA ILE 31 -5.064 -9.150 11.594 245 HB ILE 31 HB ILE 31 -5.839 -8.893 8.716 246 1HG1 ILE 31 1HG1 ILE 31 -4.862 -11.463 9.599 247 2HG1 ILE 31 2HG1 ILE 31 -6.076 -10.875 10.719 248 1HG2 ILE 31 3HG2 ILE 31 -3.094 -9.016 9.767 249 2HG2 ILE 31 1HG2 ILE 31 -3.492 -10.283 8.581 250 3HG2 ILE 31 2HG2 ILE 31 -3.695 -8.568 8.152 251 1HD1 ILE 31 1HD1 ILE 31 -6.499 -10.809 7.704 252 2HD1 ILE 31 2HD1 ILE 31 -6.950 -12.210 8.706 253 3HD1 ILE 31 3HD1 ILE 31 -7.723 -10.631 8.984 254 H GLN 32 H GLN 32 -2.989 -8.277 11.818 255 HA GLN 32 HA GLN 32 -2.454 -5.759 10.572 256 1HB GLN 32 1HB GLN 32 -3.749 -5.451 12.879 257 2HB GLN 32 2HB GLN 32 -2.177 -5.784 13.579 258 1HG GLN 32 1HG GLN 32 -1.702 -3.584 13.265 259 2HG GLN 32 2HG GLN 32 -1.567 -3.950 11.557 260 1HE2 GLN 32 2HE2 GLN 32 -4.222 -1.964 10.618 261 2HE2 GLN 32 1HE2 GLN 32 -2.723 -2.757 10.265 262 H ALA 33 H ALA 33 -0.168 -5.215 10.626 263 HA ALA 33 HA ALA 33 1.621 -6.921 12.078 264 1HB ALA 33 3HB ALA 33 0.749 -7.769 9.516 265 2HB ALA 33 1HB ALA 33 2.396 -7.129 9.297 266 3HB ALA 33 2HB ALA 33 2.094 -8.425 10.479 267 H ASP 34 H ASP 34 3.837 -6.118 11.964 268 HA ASP 34 HA ASP 34 3.986 -3.407 11.983 269 1HB ASP 34 1HB ASP 34 5.660 -5.383 12.699 270 2HB ASP 34 2HB ASP 34 6.403 -5.020 11.154 271 H GLY 35 H GLY 35 5.176 -5.736 9.436 272 1HA GLY 35 1HA GLY 35 5.646 -3.575 7.557 273 2HA GLY 35 2HA GLY 35 5.966 -5.283 7.334 274 H LEU 36 H LEU 36 2.817 -4.561 8.651 275 HA LEU 36 HA LEU 36 1.661 -4.867 5.966 276 1HB LEU 36 1HB LEU 36 1.548 -6.901 7.418 277 2HB LEU 36 2HB LEU 36 0.568 -5.988 8.548 278 HG LEU 36 HG LEU 36 -0.532 -5.814 5.866 279 1HD1 LEU 36 3HD1 LEU 36 0.062 -8.567 6.954 280 2HD1 LEU 36 1HD1 LEU 36 -1.294 -8.251 5.845 281 3HD1 LEU 36 2HD1 LEU 36 0.376 -7.913 5.327 282 1HD2 LEU 36 2HD2 LEU 36 -1.560 -5.431 8.226 283 2HD2 LEU 36 3HD2 LEU 36 -2.552 -6.162 6.940 284 3HD2 LEU 36 1HD2 LEU 36 -1.829 -7.190 8.202 285 H VAL 37 H VAL 37 0.327 -3.253 5.331 286 HA VAL 37 HA VAL 37 -0.843 -1.597 7.451 287 HB VAL 37 HB VAL 37 0.707 -0.753 5.011 288 1HG1 VAL 37 3HG1 VAL 37 -1.694 0.472 6.032 289 2HG1 VAL 37 1HG1 VAL 37 -0.306 1.554 6.301 290 3HG1 VAL 37 2HG1 VAL 37 -0.671 0.965 4.661 291 1HG2 VAL 37 3HG2 VAL 37 0.895 -0.195 7.980 292 2HG2 VAL 37 1HG2 VAL 37 2.108 -0.935 6.908 293 3HG2 VAL 37 2HG2 VAL 37 1.735 0.800 6.765 294 H TRP 38 H TRP 38 -3.012 -1.814 7.333 295 HA TRP 38 HA TRP 38 -4.221 -2.802 4.936 296 1HB TRP 38 1HB TRP 38 -5.149 -2.092 7.691 297 2HB TRP 38 2HB TRP 38 -6.330 -2.249 6.406 298 HD1 TRP 38 HD TRP 38 -4.946 -4.330 9.005 299 HE1 TRP 38 1HE TRP 38 -5.071 -6.926 8.544 300 HE3 TRP 38 3HE TRP 38 -5.853 -3.932 4.017 301 HZ2 TRP 38 2HZ TRP 38 -5.525 -8.485 6.198 302 HZ3 TRP 38 3HZ TRP 38 -6.124 -6.039 2.714 303 HH2 TRP 38 HH TRP 38 -5.973 -8.260 3.726 304 H GLY 39 H GLY 39 -5.625 -1.636 3.524 305 1HA GLY 39 1HA GLY 39 -5.460 1.305 3.811 306 2HA GLY 39 2HA GLY 39 -5.352 0.457 2.281 307 H SER 40 H SER 40 -7.228 -0.203 1.198 308 HA SER 40 HA SER 40 -9.703 -0.066 2.670 309 1HB SER 40 1HB SER 40 -8.839 2.079 1.014 310 2HB SER 40 2HB SER 40 -10.062 1.236 0.086 311 HG SER 40 HG SER 40 -10.885 2.946 1.546 312 H SER 41 H SER 41 -11.148 -1.647 1.963 313 HA SER 41 HA SER 41 -10.160 -3.331 -0.143 314 1HB SER 41 1HB SER 41 -11.894 -4.913 0.612 315 2HB SER 41 2HB SER 41 -10.943 -4.344 1.971 316 HG SER 41 HG SER 41 -13.323 -2.908 1.303 317 H LYS 42 H LYS 42 -12.023 -4.321 -1.637 318 HA LYS 42 HA LYS 42 -13.905 -2.206 -2.370 319 1HB LYS 42 1HB LYS 42 -13.227 -3.025 -4.827 320 2HB LYS 42 2HB LYS 42 -12.466 -1.663 -4.028 321 1HG LYS 42 1HG LYS 42 -10.702 -3.274 -3.128 322 2HG LYS 42 2HG LYS 42 -11.418 -4.530 -4.119 323 1HD LYS 42 1HD LYS 42 -10.277 -1.893 -5.162 324 2HD LYS 42 2HD LYS 42 -9.475 -3.449 -5.254 325 1HE LYS 42 1HE LYS 42 -11.269 -4.343 -6.695 326 2HE LYS 42 2HE LYS 42 -12.196 -2.867 -6.517 327 1HZ LYS 42 3HZ LYS 42 -9.513 -3.007 -7.711 328 2HZ LYS 42 1HZ LYS 42 -10.909 -2.933 -8.557 329 3HZ LYS 42 2HZ LYS 42 -10.456 -1.676 -7.618 330 H LEU 43 H LEU 43 -15.740 -3.022 -3.669 331 HA LEU 43 HA LEU 43 -16.118 -5.903 -3.225 332 1HB LEU 43 1HB LEU 43 -17.785 -3.568 -2.523 333 2HB LEU 43 2HB LEU 43 -18.642 -4.909 -3.256 334 HG LEU 43 HG LEU 43 -18.810 -5.250 -0.941 335 1HD1 LEU 43 1HD1 LEU 43 -17.954 -7.205 -2.426 336 2HD1 LEU 43 2HD1 LEU 43 -16.445 -7.019 -1.500 337 3HD1 LEU 43 3HD1 LEU 43 -17.969 -7.387 -0.656 338 1HD2 LEU 43 3HD2 LEU 43 -16.258 -3.931 -0.846 339 2HD2 LEU 43 1HD2 LEU 43 -17.431 -4.226 0.460 340 3HD2 LEU 43 2HD2 LEU 43 -16.189 -5.445 0.086 341 H VAL 44 H VAL 44 -17.475 -7.005 -4.823 342 HA VAL 44 HA VAL 44 -18.045 -5.547 -7.246 343 HB VAL 44 HB VAL 44 -15.979 -7.751 -7.129 344 1HG1 VAL 44 1HG1 VAL 44 -17.698 -7.862 -9.046 345 2HG1 VAL 44 2HG1 VAL 44 -16.920 -6.378 -9.651 346 3HG1 VAL 44 3HG1 VAL 44 -15.970 -7.874 -9.475 347 1HG2 VAL 44 1HG2 VAL 44 -15.869 -4.807 -7.803 348 2HG2 VAL 44 2HG2 VAL 44 -14.899 -5.720 -6.624 349 3HG2 VAL 44 3HG2 VAL 44 -14.628 -5.949 -8.368 350 HA PRO 45 HA PRO 45 -21.177 -8.563 -6.665 351 1HB PRO 45 1HB PRO 45 -23.037 -7.414 -8.304 352 2HB PRO 45 2HB PRO 45 -22.851 -6.985 -6.616 353 1HG PRO 45 1HG PRO 45 -22.017 -5.473 -9.015 354 2HG PRO 45 2HG PRO 45 -22.230 -4.897 -7.374 355 1HD PRO 45 1HD PRO 45 -19.742 -5.453 -8.687 356 2HD PRO 45 2HD PRO 45 -19.962 -4.989 -7.011 357 H VAL 46 H VAL 46 -21.692 -10.490 -7.588 358 HA VAL 46 HA VAL 46 -20.459 -10.837 -10.193 359 HB VAL 46 HB VAL 46 -20.225 -12.331 -8.075 360 1HG1 VAL 46 2HG1 VAL 46 -22.929 -12.529 -8.255 361 2HG1 VAL 46 3HG1 VAL 46 -22.436 -13.979 -9.163 362 3HG1 VAL 46 1HG1 VAL 46 -21.887 -13.750 -7.485 363 1HG2 VAL 46 1HG2 VAL 46 -19.880 -12.743 -10.819 364 2HG2 VAL 46 2HG2 VAL 46 -19.193 -13.715 -9.495 365 3HG2 VAL 46 3HG2 VAL 46 -20.732 -14.199 -10.250 366 H GLY 47 H GLY 47 -22.229 -13.106 -10.903 367 1HA GLY 47 1HA GLY 47 -24.651 -11.570 -11.638 368 2HA GLY 47 2HA GLY 47 -23.800 -12.629 -12.744 369 H TYR 48 H TYR 48 -25.463 -12.602 -9.525 370 HA TYR 48 HA TYR 48 -27.150 -14.704 -10.099 371 1HB TYR 48 1HB TYR 48 -24.448 -15.516 -9.764 372 2HB TYR 48 2HB TYR 48 -25.132 -15.779 -8.172 373 HD1 TYR 48 1HD TYR 48 -27.826 -16.745 -8.671 374 HD2 TYR 48 2HD TYR 48 -24.222 -17.570 -10.825 375 HE1 TYR 48 1HE TYR 48 -28.796 -18.959 -9.460 376 HE2 TYR 48 2HE TYR 48 -25.203 -19.780 -11.606 377 HH TYR 48 HH TYR 48 -28.382 -20.470 -11.523 378 H GLY 49 H GLY 49 -25.144 -12.970 -7.700 379 1HA GLY 49 1HA GLY 49 -26.851 -11.768 -6.169 380 2HA GLY 49 2HA GLY 49 -27.203 -13.403 -5.648 381 H ILE 50 H ILE 50 -24.105 -13.861 -6.428 382 HA ILE 50 HA ILE 50 -23.229 -13.420 -3.713 383 HB ILE 50 HB ILE 50 -22.376 -15.035 -6.045 384 1HG1 ILE 50 1HG1 ILE 50 -21.822 -16.236 -3.530 385 2HG1 ILE 50 2HG1 ILE 50 -23.368 -15.428 -3.374 386 1HG2 ILE 50 3HG2 ILE 50 -20.367 -13.665 -5.545 387 2HG2 ILE 50 1HG2 ILE 50 -20.403 -14.280 -3.874 388 3HG2 ILE 50 2HG2 ILE 50 -20.140 -15.402 -5.231 389 1HD1 ILE 50 2HD1 ILE 50 -22.904 -16.989 -5.900 390 2HD1 ILE 50 3HD1 ILE 50 -23.154 -17.909 -4.397 391 3HD1 ILE 50 1HD1 ILE 50 -24.400 -16.769 -4.959 392 H LYS 51 H LYS 51 -20.950 -12.507 -3.367 393 HA LYS 51 HA LYS 51 -20.423 -10.360 -5.288 394 1HB LYS 51 1HB LYS 51 -20.962 -10.116 -2.341 395 2HB LYS 51 2HB LYS 51 -19.865 -8.994 -3.119 396 1HG LYS 51 1HG LYS 51 -21.724 -7.808 -3.688 397 2HG LYS 51 2HG LYS 51 -21.990 -9.035 -4.910 398 1HD LYS 51 1HD LYS 51 -23.962 -9.488 -3.880 399 2HD LYS 51 2HD LYS 51 -23.030 -10.219 -2.590 400 1HE LYS 51 1HE LYS 51 -22.913 -7.420 -2.096 401 2HE LYS 51 2HE LYS 51 -24.572 -7.734 -2.564 402 1HZ LYS 51 1HZ LYS 51 -24.635 -9.488 -0.913 403 2HZ LYS 51 2HZ LYS 51 -23.096 -9.170 -0.466 404 3HZ LYS 51 3HZ LYS 51 -24.264 -8.054 -0.224 405 H LYS 52 H LYS 52 -18.172 -9.501 -5.107 406 HA LYS 52 HA LYS 52 -16.391 -11.725 -4.636 407 1HB LYS 52 1HB LYS 52 -16.506 -9.560 -6.447 408 2HB LYS 52 2HB LYS 52 -15.091 -9.274 -5.454 409 1HG LYS 52 1HG LYS 52 -14.109 -11.382 -6.027 410 2HG LYS 52 2HG LYS 52 -15.628 -12.031 -6.613 411 1HD LYS 52 1HD LYS 52 -15.520 -10.084 -8.384 412 2HD LYS 52 2HD LYS 52 -13.829 -9.973 -7.937 413 1HE LYS 52 1HE LYS 52 -13.387 -12.245 -8.633 414 2HE LYS 52 2HE LYS 52 -15.094 -12.627 -8.734 415 1HZ LYS 52 1HZ LYS 52 -15.067 -10.701 -10.437 416 2HZ LYS 52 2HZ LYS 52 -13.475 -11.050 -10.554 417 3HZ LYS 52 3HZ LYS 52 -14.589 -12.196 -10.887 418 H LEU 53 H LEU 53 -14.461 -11.569 -3.293 419 HA LEU 53 HA LEU 53 -14.856 -9.661 -1.091 420 1HB LEU 53 1HB LEU 53 -14.968 -12.417 -0.995 421 2HB LEU 53 2HB LEU 53 -13.322 -12.078 -0.495 422 HG LEU 53 HG LEU 53 -15.078 -12.278 1.333 423 1HD1 LEU 53 3HD1 LEU 53 -13.346 -9.799 1.176 424 2HD1 LEU 53 1HD1 LEU 53 -14.108 -10.416 2.661 425 3HD1 LEU 53 2HD1 LEU 53 -12.890 -11.397 1.811 426 1HD2 LEU 53 1HD2 LEU 53 -16.584 -10.617 -0.148 427 2HD2 LEU 53 2HD2 LEU 53 -16.750 -10.783 1.616 428 3HD2 LEU 53 3HD2 LEU 53 -15.814 -9.431 0.932 429 H GLN 54 H GLN 54 -13.594 -8.252 -2.699 430 HA GLN 54 HA GLN 54 -10.797 -8.985 -2.755 431 1HB GLN 54 1HB GLN 54 -12.587 -7.320 -4.400 432 2HB GLN 54 2HB GLN 54 -11.074 -6.510 -4.044 433 1HG GLN 54 1HG GLN 54 -9.969 -8.820 -4.714 434 2HG GLN 54 2HG GLN 54 -11.511 -9.144 -5.484 435 1HE2 GLN 54 2HE2 GLN 54 -8.945 -7.426 -7.740 436 2HE2 GLN 54 1HE2 GLN 54 -8.821 -8.715 -6.591 437 H ILE 55 H ILE 55 -9.121 -7.542 -1.951 438 HA ILE 55 HA ILE 55 -9.966 -5.263 -0.403 439 HB ILE 55 HB ILE 55 -9.549 -6.001 1.686 440 1HG1 ILE 55 1HG1 ILE 55 -7.195 -6.635 1.160 441 2HG1 ILE 55 2HG1 ILE 55 -7.962 -7.652 2.363 442 1HG2 ILE 55 2HG2 ILE 55 -10.371 -8.520 0.222 443 2HG2 ILE 55 3HG2 ILE 55 -10.395 -8.336 1.991 444 3HG2 ILE 55 1HG2 ILE 55 -11.426 -7.300 0.975 445 1HD1 ILE 55 2HD1 ILE 55 -7.788 -8.358 -0.603 446 2HD1 ILE 55 3HD1 ILE 55 -6.664 -8.953 0.644 447 3HD1 ILE 55 1HD1 ILE 55 -8.384 -9.408 0.706 448 H GLN 56 H GLN 56 -8.068 -3.984 0.348 449 HA GLN 56 HA GLN 56 -5.698 -4.694 -1.195 450 1HB GLN 56 1HB GLN 56 -6.964 -2.867 -2.320 451 2HB GLN 56 2HB GLN 56 -6.888 -1.905 -0.859 452 1HG GLN 56 1HG GLN 56 -5.060 -1.057 -2.056 453 2HG GLN 56 2HG GLN 56 -4.278 -2.257 -1.047 454 1HE2 GLN 56 2HE2 GLN 56 -3.039 -4.160 -3.648 455 2HE2 GLN 56 1HE2 GLN 56 -3.063 -3.729 -1.970 456 H CYS 57 H CYS 57 -3.662 -4.169 -0.225 457 HA CYS 57 HA CYS 57 -3.817 -3.002 2.439 458 1HB CYS 57 1HB CYS 57 -2.318 -4.753 3.345 459 2HB CYS 57 2HB CYS 57 -3.892 -5.374 2.887 460 HG CYS 57 HG CYS 57 -1.275 -5.288 0.866 461 H VAL 58 H VAL 58 -1.126 -3.155 3.126 462 HA VAL 58 HA VAL 58 0.390 -2.308 0.792 463 HB VAL 58 HB VAL 58 -0.152 -0.595 3.221 464 1HG1 VAL 58 1HG1 VAL 58 2.278 -0.639 2.570 465 2HG1 VAL 58 2HG1 VAL 58 1.802 0.001 0.979 466 3HG1 VAL 58 3HG1 VAL 58 1.505 0.960 2.449 467 1HG2 VAL 58 2HG2 VAL 58 -0.701 -0.255 0.260 468 2HG2 VAL 58 3HG2 VAL 58 -1.878 -0.329 1.593 469 3HG2 VAL 58 1HG2 VAL 58 -0.796 1.076 1.436 470 H VAL 59 H VAL 59 1.808 -4.032 0.939 471 HA VAL 59 HA VAL 59 2.880 -4.732 3.527 472 HB VAL 59 HB VAL 59 3.651 -6.642 2.517 473 1HG1 VAL 59 1HG1 VAL 59 1.144 -6.357 2.297 474 2HG1 VAL 59 2HG1 VAL 59 1.420 -5.931 0.591 475 3HG1 VAL 59 3HG1 VAL 59 1.883 -7.542 1.193 476 1HG2 VAL 59 2HG2 VAL 59 3.739 -5.134 -0.116 477 2HG2 VAL 59 3HG2 VAL 59 5.123 -5.659 0.874 478 3HG2 VAL 59 1HG2 VAL 59 4.093 -6.869 0.070 479 H GLU 60 H GLU 60 5.349 -5.012 3.697 480 HA GLU 60 HA GLU 60 6.479 -2.504 2.827 481 1HB GLU 60 1HB GLU 60 6.944 -2.767 5.091 482 2HB GLU 60 2HB GLU 60 7.081 -4.512 4.980 483 1HG GLU 60 1HG GLU 60 9.309 -4.444 4.324 484 2HG GLU 60 2HG GLU 60 9.127 -2.932 3.458 485 H ASP 61 H ASP 61 7.245 -2.619 0.734 486 HA ASP 61 HA ASP 61 8.384 -3.263 -0.996 487 1HB ASP 61 1HB ASP 61 10.406 -2.936 0.191 488 2HB ASP 61 2HB ASP 61 10.111 -4.290 1.265 489 H ASP 62 H ASP 62 9.509 -6.147 0.835 490 HA ASP 62 HA ASP 62 7.485 -7.787 -0.371 491 1HB ASP 62 1HB ASP 62 9.746 -7.472 -1.836 492 2HB ASP 62 2HB ASP 62 10.319 -8.727 -0.756 493 H LYS 63 H LYS 63 8.538 -6.856 2.348 494 HA LYS 63 HA LYS 63 9.761 -9.235 3.442 495 1HB LYS 63 1HB LYS 63 9.314 -6.431 4.301 496 2HB LYS 63 2HB LYS 63 9.275 -7.630 5.578 497 1HG LYS 63 1HG LYS 63 11.537 -7.734 5.543 498 2HG LYS 63 2HG LYS 63 11.481 -8.331 3.897 499 1HD LYS 63 1HD LYS 63 12.298 -6.370 3.107 500 2HD LYS 63 2HD LYS 63 10.975 -5.482 3.840 501 1HE LYS 63 1HE LYS 63 12.361 -4.654 5.433 502 2HE LYS 63 2HE LYS 63 12.793 -6.273 5.946 503 1HZ LYS 63 1HZ LYS 63 14.145 -5.966 3.642 504 2HZ LYS 63 2HZ LYS 63 14.240 -4.473 4.298 505 3HZ LYS 63 3HZ LYS 63 14.772 -5.769 5.138 506 H VAL 64 H VAL 64 6.607 -7.534 3.383 507 HA VAL 64 HA VAL 64 5.503 -9.769 4.936 508 HB VAL 64 HB VAL 64 4.568 -6.920 4.553 509 1HG1 VAL 64 2HG1 VAL 64 2.967 -9.202 4.978 510 2HG1 VAL 64 3HG1 VAL 64 3.097 -8.395 6.559 511 3HG1 VAL 64 1HG1 VAL 64 2.495 -7.495 5.146 512 1HG2 VAL 64 2HG2 VAL 64 5.710 -8.456 6.898 513 2HG2 VAL 64 3HG2 VAL 64 6.306 -6.951 6.158 514 3HG2 VAL 64 1HG2 VAL 64 4.795 -6.943 7.098 515 H GLY 65 H GLY 65 3.929 -11.061 4.028 516 1HA GLY 65 1HA GLY 65 2.862 -10.238 1.406 517 2HA GLY 65 2HA GLY 65 3.644 -11.795 1.593 518 H THR 66 H THR 66 1.133 -12.034 0.747 519 HA THR 66 HA THR 66 -0.764 -12.071 2.901 520 HB THR 66 HB THR 66 -1.323 -11.563 0.495 521 HG1 THR 66 1HG THR 66 -3.194 -12.421 1.306 522 1HG2 THR 66 3HG2 THR 66 -0.291 -14.392 0.190 523 2HG2 THR 66 1HG2 THR 66 -1.694 -13.894 -0.786 524 3HG2 THR 66 2HG2 THR 66 -0.150 -13.020 -0.936 525 H ASP 67 H ASP 67 1.389 -13.456 3.853 526 HA ASP 67 HA ASP 67 0.787 -16.238 3.379 527 1HB ASP 67 1HB ASP 67 2.764 -16.403 5.161 528 2HB ASP 67 2HB ASP 67 3.099 -16.041 3.479 529 H MET 68 H MET 68 1.485 -14.089 6.252 530 HA MET 68 HA MET 68 0.212 -15.819 8.041 531 1HB MET 68 1HB MET 68 1.924 -13.650 8.207 532 2HB MET 68 2HB MET 68 0.424 -12.897 8.711 533 1HG MET 68 1HG MET 68 0.558 -15.418 10.071 534 2HG MET 68 2HG MET 68 2.148 -14.694 10.214 535 1HE MET 68 2HE MET 68 -1.491 -13.365 9.918 536 2HE MET 68 3HE MET 68 -1.604 -14.513 11.273 537 3HE MET 68 1HE MET 68 -1.815 -12.769 11.563 538 H LEU 69 H LEU 69 -0.816 -12.827 6.314 539 HA LEU 69 HA LEU 69 -3.231 -12.484 7.665 540 1HB LEU 69 1HB LEU 69 -3.621 -10.815 6.188 541 2HB LEU 69 2HB LEU 69 -1.884 -10.972 6.021 542 HG LEU 69 HG LEU 69 -2.353 -12.487 4.011 543 1HD1 LEU 69 3HD1 LEU 69 -5.010 -12.172 4.887 544 2HD1 LEU 69 1HD1 LEU 69 -4.878 -11.261 3.364 545 3HD1 LEU 69 2HD1 LEU 69 -4.430 -12.983 3.412 546 1HD2 LEU 69 1HD2 LEU 69 -2.989 -9.532 4.011 547 2HD2 LEU 69 2HD2 LEU 69 -1.445 -10.334 3.633 548 3HD2 LEU 69 3HD2 LEU 69 -2.827 -10.495 2.523 549 H GLU 70 H GLU 70 -2.384 -14.333 4.674 550 HA GLU 70 HA GLU 70 -4.937 -15.084 4.033 551 1HB GLU 70 1HB GLU 70 -2.994 -15.405 2.549 552 2HB GLU 70 2HB GLU 70 -2.318 -16.595 3.643 553 1HG GLU 70 1HG GLU 70 -4.580 -17.882 3.323 554 2HG GLU 70 2HG GLU 70 -4.829 -16.827 1.946 555 H GLU 71 H GLU 71 -2.469 -16.913 5.985 556 HA GLU 71 HA GLU 71 -4.109 -19.028 6.587 557 1HB GLU 71 1HB GLU 71 -1.761 -17.795 8.078 558 2HB GLU 71 2HB GLU 71 -2.533 -19.272 8.618 559 1HG GLU 71 1HG GLU 71 -1.804 -19.191 5.717 560 2HG GLU 71 2HG GLU 71 -0.452 -19.204 6.832 561 H GLN 72 H GLN 72 -4.326 -15.736 7.592 562 HA GLN 72 HA GLN 72 -5.732 -16.448 10.017 563 1HB GLN 72 1HB GLN 72 -4.047 -14.598 10.052 564 2HB GLN 72 2HB GLN 72 -5.007 -13.708 8.889 565 1HG GLN 72 1HG GLN 72 -6.439 -12.966 10.496 566 2HG GLN 72 2HG GLN 72 -6.666 -14.579 11.143 567 1HE2 GLN 72 2HE2 GLN 72 -5.192 -12.552 13.832 568 2HE2 GLN 72 1HE2 GLN 72 -6.649 -12.614 12.896 569 H ILE 73 H ILE 73 -6.211 -14.730 6.869 570 HA ILE 73 HA ILE 73 -8.980 -14.275 7.388 571 HB ILE 73 HB ILE 73 -7.337 -14.055 4.863 572 1HG1 ILE 73 1HG1 ILE 73 -8.145 -11.972 6.914 573 2HG1 ILE 73 2HG1 ILE 73 -6.529 -12.594 6.650 574 1HG2 ILE 73 2HG2 ILE 73 -10.190 -13.884 5.303 575 2HG2 ILE 73 3HG2 ILE 73 -9.539 -12.324 4.747 576 3HG2 ILE 73 1HG2 ILE 73 -9.262 -13.797 3.787 577 1HD1 ILE 73 3HD1 ILE 73 -6.939 -11.826 4.140 578 2HD1 ILE 73 1HD1 ILE 73 -8.178 -10.784 4.881 579 3HD1 ILE 73 2HD1 ILE 73 -6.474 -10.630 5.375 580 H THR 74 H THR 74 -7.179 -16.395 5.042 581 HA THR 74 HA THR 74 -9.514 -17.830 4.332 582 HB THR 74 HB THR 74 -7.970 -19.087 2.980 583 HG1 THR 74 1HG THR 74 -6.205 -18.206 5.135 584 1HG2 THR 74 3HG2 THR 74 -7.855 -16.404 2.761 585 2HG2 THR 74 1HG2 THR 74 -6.211 -16.663 3.393 586 3HG2 THR 74 2HG2 THR 74 -6.713 -17.440 1.873 587 H ALA 75 H ALA 75 -7.770 -17.767 7.229 588 HA ALA 75 HA ALA 75 -7.573 -20.418 7.945 589 1HB ALA 75 1HB ALA 75 -7.280 -17.889 9.136 590 2HB ALA 75 2HB ALA 75 -8.497 -18.723 10.133 591 3HB ALA 75 3HB ALA 75 -6.899 -19.464 9.869 592 H PHE 76 H PHE 76 -10.399 -18.474 7.297 593 HA PHE 76 HA PHE 76 -12.103 -20.327 8.763 594 1HB PHE 76 1HB PHE 76 -12.143 -17.538 7.714 595 2HB PHE 76 2HB PHE 76 -13.629 -18.393 7.350 596 HD1 PHE 76 1HD PHE 76 -14.681 -19.690 9.410 597 HD2 PHE 76 2HD PHE 76 -11.982 -16.431 9.734 598 HE1 PHE 76 1HE PHE 76 -15.516 -19.230 11.732 599 HE2 PHE 76 2HE PHE 76 -12.817 -15.972 12.057 600 HZ PHE 76 HZ PHE 76 -14.573 -17.376 13.028 601 H GLU 77 H GLU 77 -11.813 -22.209 7.401 602 HA GLU 77 HA GLU 77 -12.283 -22.012 4.634 603 1HB GLU 77 1HB GLU 77 -11.370 -23.989 6.494 604 2HB GLU 77 2HB GLU 77 -12.725 -24.694 5.635 605 1HG GLU 77 1HG GLU 77 -10.825 -23.190 3.901 606 2HG GLU 77 2HG GLU 77 -10.131 -24.599 4.677 607 H ASP 78 H ASP 78 -14.362 -21.644 7.231 608 HA ASP 78 HA ASP 78 -16.544 -23.067 5.996 609 1HB ASP 78 1HB ASP 78 -15.897 -22.637 8.618 610 2HB ASP 78 2HB ASP 78 -16.976 -21.279 8.366 611 H TYR 79 H TYR 79 -15.091 -20.505 4.957 612 HA TYR 79 HA TYR 79 -17.511 -19.074 4.296 613 1HB TYR 79 1HB TYR 79 -15.159 -18.069 5.981 614 2HB TYR 79 2HB TYR 79 -16.034 -16.928 4.980 615 HD1 TYR 79 1HD TYR 79 -18.782 -17.354 5.256 616 HD2 TYR 79 2HD TYR 79 -15.760 -18.009 8.212 617 HE1 TYR 79 1HE TYR 79 -20.513 -17.074 7.097 618 HE2 TYR 79 2HE TYR 79 -17.500 -17.727 10.043 619 HH TYR 79 HH TYR 79 -19.842 -17.912 10.342 620 H VAL 80 H VAL 80 -13.903 -19.274 4.145 621 HA VAL 80 HA VAL 80 -13.913 -17.950 1.577 622 HB VAL 80 HB VAL 80 -11.723 -19.170 3.270 623 1HG1 VAL 80 3HG1 VAL 80 -11.710 -17.950 0.547 624 2HG1 VAL 80 1HG1 VAL 80 -10.386 -17.505 1.650 625 3HG1 VAL 80 2HG1 VAL 80 -10.670 -19.215 1.245 626 1HG2 VAL 80 2HG2 VAL 80 -13.159 -16.716 3.491 627 2HG2 VAL 80 3HG2 VAL 80 -11.759 -17.274 4.440 628 3HG2 VAL 80 1HG2 VAL 80 -11.507 -16.333 2.951 629 H GLN 81 H GLN 81 -14.048 -18.959 -0.365 630 HA GLN 81 HA GLN 81 -14.232 -21.816 -0.316 631 1HB GLN 81 1HB GLN 81 -15.795 -20.273 -1.616 632 2HB GLN 81 2HB GLN 81 -14.466 -19.945 -2.709 633 1HG GLN 81 1HG GLN 81 -14.426 -22.718 -2.612 634 2HG GLN 81 2HG GLN 81 -16.140 -22.389 -2.448 635 1HE2 GLN 81 2HE2 GLN 81 -14.082 -21.640 -5.931 636 2HE2 GLN 81 1HE2 GLN 81 -13.297 -22.042 -4.440 637 H SER 82 H SER 82 -12.052 -19.246 -1.539 638 HA SER 82 HA SER 82 -9.848 -20.883 -1.486 639 1HB SER 82 1HB SER 82 -11.274 -20.780 -4.142 640 2HB SER 82 2HB SER 82 -9.522 -20.788 -4.139 641 HG SER 82 HG SER 82 -9.505 -22.791 -3.071 642 H MET 83 H MET 83 -8.277 -19.373 -1.078 643 HA MET 83 HA MET 83 -8.751 -16.693 -2.020 644 1HB MET 83 1HB MET 83 -8.104 -16.819 0.295 645 2HB MET 83 2HB MET 83 -6.876 -18.028 -0.022 646 1HG MET 83 1HG MET 83 -6.588 -15.312 -1.323 647 2HG MET 83 2HG MET 83 -6.213 -15.465 0.381 648 1HE MET 83 1HE MET 83 -4.055 -15.346 0.858 649 2HE MET 83 2HE MET 83 -2.650 -16.070 0.039 650 3HE MET 83 3HE MET 83 -3.502 -14.695 -0.704 651 H ASP 84 H ASP 84 -7.113 -15.430 -3.166 652 HA ASP 84 HA ASP 84 -4.896 -16.899 -4.228 653 1HB ASP 84 1HB ASP 84 -7.310 -16.112 -5.831 654 2HB ASP 84 2HB ASP 84 -5.754 -15.810 -6.579 655 H VAL 85 H VAL 85 -4.024 -15.103 -6.181 656 HA VAL 85 HA VAL 85 -3.864 -12.595 -4.667 657 HB VAL 85 HB VAL 85 -1.796 -13.949 -5.012 658 1HG1 VAL 85 2HG1 VAL 85 -2.510 -13.464 -7.893 659 2HG1 VAL 85 3HG1 VAL 85 -0.801 -13.593 -7.410 660 3HG1 VAL 85 1HG1 VAL 85 -1.918 -14.945 -7.102 661 1HG2 VAL 85 3HG2 VAL 85 -2.196 -11.182 -5.229 662 2HG2 VAL 85 1HG2 VAL 85 -0.679 -12.024 -4.832 663 3HG2 VAL 85 2HG2 VAL 85 -1.038 -11.587 -6.519 664 H ALA 86 H ALA 86 -4.006 -10.573 -5.821 665 HA ALA 86 HA ALA 86 -5.585 -10.859 -8.276 666 1HB ALA 86 2HB ALA 86 -5.826 -9.283 -5.866 667 2HB ALA 86 3HB ALA 86 -5.664 -8.201 -7.271 668 3HB ALA 86 1HB ALA 86 -6.958 -9.420 -7.234 669 H ALA 87 H ALA 87 -2.541 -9.781 -6.911 670 HA ALA 87 HA ALA 87 -1.267 -9.489 -9.300 671 1HB ALA 87 2HB ALA 87 -3.072 -7.315 -8.890 672 2HB ALA 87 3HB ALA 87 -1.421 -6.684 -8.674 673 3HB ALA 87 1HB ALA 87 -1.866 -7.515 -10.184 674 H PHE 88 H PHE 88 0.795 -7.911 -8.957 675 HA PHE 88 HA PHE 88 1.492 -7.704 -6.165 676 1HB PHE 88 1HB PHE 88 2.097 -10.014 -7.758 677 2HB PHE 88 2HB PHE 88 3.587 -9.094 -7.722 678 HD1 PHE 88 2HD PHE 88 1.031 -10.671 -5.554 679 HD2 PHE 88 1HD PHE 88 4.964 -9.098 -5.810 680 HE1 PHE 88 2HE PHE 88 1.551 -11.601 -3.281 681 HE2 PHE 88 1HE PHE 88 5.484 -10.027 -3.537 682 HZ PHE 88 HZ PHE 88 3.771 -11.268 -2.300 683 H ASN 89 H ASN 89 1.897 -5.500 -6.365 684 HA ASN 89 HA ASN 89 4.257 -4.880 -7.882 685 1HB ASN 89 1HB ASN 89 2.128 -4.436 -9.334 686 2HB ASN 89 2HB ASN 89 1.770 -3.138 -8.212 687 1HD2 ASN 89 2HD2 ASN 89 3.746 -0.855 -9.871 688 2HD2 ASN 89 1HD2 ASN 89 2.336 -1.250 -8.946 689 H LYS 90 H LYS 90 4.715 -2.320 -7.417 690 HA LYS 90 HA LYS 90 4.602 -2.061 -4.567 691 1HB LYS 90 1HB LYS 90 6.064 -0.835 -6.819 692 2HB LYS 90 2HB LYS 90 5.702 0.267 -5.506 693 1HG LYS 90 1HG LYS 90 6.749 -1.251 -3.871 694 2HG LYS 90 2HG LYS 90 6.988 -2.473 -5.104 695 1HD LYS 90 1HD LYS 90 9.095 -1.483 -5.118 696 2HD LYS 90 2HD LYS 90 8.311 -0.528 -6.360 697 1HE LYS 90 1HE LYS 90 8.081 1.357 -4.973 698 2HE LYS 90 2HE LYS 90 8.075 0.409 -3.499 699 1HZ LYS 90 3HZ LYS 90 10.497 0.184 -4.983 700 2HZ LYS 90 1HZ LYS 90 10.194 1.707 -4.475 701 3HZ LYS 90 2HZ LYS 90 10.275 0.485 -3.395 702 H ILE 91 H ILE 91 4.086 0.215 -3.704 703 HA ILE 91 HA ILE 91 1.455 1.040 -4.840 704 HB ILE 91 HB ILE 91 1.183 -0.042 -2.681 705 1HG1 ILE 91 1HG1 ILE 91 0.906 2.541 -1.485 706 2HG1 ILE 91 2HG1 ILE 91 0.561 2.717 -3.222 707 1HG2 ILE 91 3HG2 ILE 91 3.739 0.989 -2.176 708 2HG2 ILE 91 1HG2 ILE 91 2.676 1.902 -1.079 709 3HG2 ILE 91 2HG2 ILE 91 2.704 0.124 -1.016 710 1HD1 ILE 91 3HD1 ILE 91 -0.636 0.485 -1.543 711 2HD1 ILE 91 1HD1 ILE 91 -1.425 2.070 -1.722 712 3HD1 ILE 91 2HD1 ILE 91 -1.148 1.047 -3.152 No H/Q in entry = 712 Start of MODEL 6 1 1H MET 1 H MET 1 17.139 -1.860 4.440 2 2H MET 1 2HN MET 1 18.453 -0.929 4.827 3 3H MET 1 3HN MET 1 17.718 -1.848 5.991 4 HA MET 1 HA MET 1 16.805 0.074 6.534 5 1HB MET 1 1HB MET 1 17.398 0.699 3.650 6 2HB MET 1 2HB MET 1 16.202 1.684 4.525 7 1HG MET 1 1HG MET 1 17.785 2.330 6.174 8 2HG MET 1 2HG MET 1 18.934 1.076 5.678 9 1HE MET 1 3HE MET 1 20.965 1.922 5.207 10 2HE MET 1 1HE MET 1 21.403 3.404 4.322 11 3HE MET 1 2HE MET 1 20.660 3.517 5.937 12 H LEU 2 H LEU 2 14.523 0.777 6.604 13 HA LEU 2 HA LEU 2 12.834 -1.235 5.334 14 1HB LEU 2 1HB LEU 2 11.147 -0.473 6.967 15 2HB LEU 2 2HB LEU 2 12.598 -1.143 7.686 16 HG LEU 2 HG LEU 2 12.788 1.752 7.400 17 1HD1 LEU 2 2HD1 LEU 2 10.242 1.274 7.707 18 2HD1 LEU 2 3HD1 LEU 2 10.701 0.916 9.389 19 3HD1 LEU 2 1HD1 LEU 2 11.039 2.520 8.696 20 1HD2 LEU 2 2HD2 LEU 2 13.782 -0.270 9.048 21 2HD2 LEU 2 3HD2 LEU 2 14.074 1.479 9.190 22 3HD2 LEU 2 1HD2 LEU 2 12.752 0.721 10.109 23 H VAL 3 H VAL 3 12.713 -0.454 3.196 24 HA VAL 3 HA VAL 3 10.902 1.776 2.916 25 HB VAL 3 HB VAL 3 13.218 2.739 2.979 26 1HG1 VAL 3 1HG1 VAL 3 13.523 0.908 0.610 27 2HG1 VAL 3 2HG1 VAL 3 14.420 2.444 0.670 28 3HG1 VAL 3 3HG1 VAL 3 14.649 1.229 1.950 29 1HG2 VAL 3 2HG2 VAL 3 11.062 3.468 1.512 30 2HG2 VAL 3 3HG2 VAL 3 12.581 4.395 1.568 31 3HG2 VAL 3 1HG2 VAL 3 12.269 3.277 0.218 32 H ALA 4 H ALA 4 10.219 1.968 0.530 33 HA ALA 4 HA ALA 4 9.600 1.062 -1.407 34 1HB ALA 4 3HB ALA 4 12.033 0.051 -1.262 35 2HB ALA 4 1HB ALA 4 11.168 -1.466 -0.917 36 3HB ALA 4 2HB ALA 4 10.867 -0.597 -2.442 37 H LYS 5 H LYS 5 7.535 1.041 -0.188 38 HA LYS 5 HA LYS 5 6.791 -1.521 0.935 39 1HB LYS 5 1HB LYS 5 5.511 1.209 0.825 40 2HB LYS 5 2HB LYS 5 4.592 -0.202 1.309 41 1HG LYS 5 1HG LYS 5 7.259 0.052 2.622 42 2HG LYS 5 2HG LYS 5 6.126 1.328 3.021 43 1HD LYS 5 1HD LYS 5 5.441 -1.643 3.199 44 2HD LYS 5 2HD LYS 5 6.038 -0.709 4.556 45 1HE LYS 5 1HE LYS 5 3.530 0.027 2.974 46 2HE LYS 5 2HE LYS 5 3.502 -0.918 4.450 47 1HZ LYS 5 2HZ LYS 5 4.686 1.765 4.259 48 2HZ LYS 5 3HZ LYS 5 3.167 1.471 4.781 49 3HZ LYS 5 1HZ LYS 5 4.444 0.899 5.623 50 H SER 6 H SER 6 4.375 -2.196 0.279 51 HA SER 6 HA SER 6 3.929 -1.780 -2.522 52 1HB SER 6 1HB SER 6 3.700 -4.449 -2.653 53 2HB SER 6 2HB SER 6 5.212 -3.634 -3.002 54 HG SER 6 HG SER 6 4.569 -4.506 -0.329 55 H SER 7 H SER 7 1.768 -2.689 -3.198 56 HA SER 7 HA SER 7 0.098 -3.233 -0.873 57 1HB SER 7 1HB SER 7 -0.517 -1.013 -1.330 58 2HB SER 7 2HB SER 7 -0.272 -1.185 -3.057 59 HG SER 7 HG SER 7 -2.563 -1.092 -2.311 60 H ILE 8 H ILE 8 -0.396 -5.394 -1.174 61 HA ILE 8 HA ILE 8 -0.869 -6.331 -3.882 62 HB ILE 8 HB ILE 8 -0.605 -7.753 -1.233 63 1HG1 ILE 8 1HG1 ILE 8 1.382 -8.600 -2.996 64 2HG1 ILE 8 2HG1 ILE 8 1.291 -6.871 -3.271 65 1HG2 ILE 8 1HG2 ILE 8 -2.133 -8.729 -3.184 66 2HG2 ILE 8 2HG2 ILE 8 -0.549 -9.241 -3.813 67 3HG2 ILE 8 3HG2 ILE 8 -1.073 -9.759 -2.193 68 1HD1 ILE 8 1HD1 ILE 8 1.332 -6.606 -0.696 69 2HD1 ILE 8 2HD1 ILE 8 1.811 -8.320 -0.648 70 3HD1 ILE 8 3HD1 ILE 8 2.843 -7.130 -1.475 71 H LEU 9 H LEU 9 -2.850 -7.128 -4.634 72 HA LEU 9 HA LEU 9 -5.111 -6.535 -2.853 73 1HB LEU 9 1HB LEU 9 -5.053 -4.970 -4.649 74 2HB LEU 9 2HB LEU 9 -4.809 -6.236 -5.838 75 HG LEU 9 HG LEU 9 -7.162 -7.070 -4.833 76 1HD1 LEU 9 2HD1 LEU 9 -7.046 -4.107 -4.287 77 2HD1 LEU 9 3HD1 LEU 9 -8.582 -4.945 -4.617 78 3HD1 LEU 9 1HD1 LEU 9 -7.586 -5.427 -3.223 79 1HD2 LEU 9 1HD2 LEU 9 -6.278 -5.561 -7.148 80 2HD2 LEU 9 2HD2 LEU 9 -7.486 -6.861 -7.022 81 3HD2 LEU 9 3HD2 LEU 9 -7.960 -5.172 -6.718 82 H LEU 10 H LEU 10 -5.775 -8.432 -1.974 83 HA LEU 10 HA LEU 10 -5.539 -10.848 -3.553 84 1HB LEU 10 1HB LEU 10 -6.022 -10.164 -0.695 85 2HB LEU 10 2HB LEU 10 -6.644 -11.692 -1.286 86 HG LEU 10 HG LEU 10 -4.426 -12.421 -1.932 87 1HD1 LEU 10 1HD1 LEU 10 -3.801 -9.583 -1.708 88 2HD1 LEU 10 2HD1 LEU 10 -2.618 -10.611 -0.865 89 3HD1 LEU 10 3HD1 LEU 10 -2.960 -10.880 -2.591 90 1HD2 LEU 10 3HD2 LEU 10 -5.308 -12.036 0.686 91 2HD2 LEU 10 1HD2 LEU 10 -4.022 -13.138 0.134 92 3HD2 LEU 10 2HD2 LEU 10 -3.610 -11.500 0.698 93 H ASP 11 H ASP 11 -7.377 -12.286 -3.937 94 HA ASP 11 HA ASP 11 -9.909 -10.858 -3.862 95 1HB ASP 11 1HB ASP 11 -9.280 -10.662 -6.155 96 2HB ASP 11 2HB ASP 11 -8.575 -12.267 -6.193 97 H VAL 12 H VAL 12 -10.887 -12.153 -2.245 98 HA VAL 12 HA VAL 12 -10.687 -15.058 -2.600 99 HB VAL 12 HB VAL 12 -11.541 -13.488 -0.162 100 1HG1 VAL 12 3HG1 VAL 12 -11.444 -16.328 -0.849 101 2HG1 VAL 12 1HG1 VAL 12 -10.518 -15.951 0.623 102 3HG1 VAL 12 2HG1 VAL 12 -12.238 -15.507 0.515 103 1HG2 VAL 12 2HG2 VAL 12 -9.126 -13.116 -0.997 104 2HG2 VAL 12 3HG2 VAL 12 -9.363 -13.598 0.700 105 3HG2 VAL 12 1HG2 VAL 12 -8.844 -14.803 -0.503 106 H LYS 13 H LYS 13 -12.593 -16.340 -2.619 107 HA LYS 13 HA LYS 13 -15.010 -14.763 -3.163 108 1HB LYS 13 1HB LYS 13 -13.730 -16.464 -4.866 109 2HB LYS 13 2HB LYS 13 -14.865 -17.563 -4.113 110 1HG LYS 13 1HG LYS 13 -16.631 -16.646 -5.215 111 2HG LYS 13 2HG LYS 13 -16.172 -15.021 -4.745 112 1HD LYS 13 1HD LYS 13 -14.949 -14.644 -6.686 113 2HD LYS 13 2HD LYS 13 -14.465 -16.321 -6.842 114 1HE LYS 13 1HE LYS 13 -17.383 -16.005 -7.112 115 2HE LYS 13 2HE LYS 13 -16.516 -15.031 -8.284 116 1HZ LYS 13 1HZ LYS 13 -15.495 -17.688 -7.957 117 2HZ LYS 13 2HZ LYS 13 -17.008 -17.619 -8.569 118 3HZ LYS 13 3HZ LYS 13 -15.786 -16.843 -9.324 119 HA PRO 14 HA PRO 14 -16.654 -16.650 0.370 120 1HB PRO 14 1HB PRO 14 -19.262 -15.882 0.097 121 2HB PRO 14 2HB PRO 14 -18.023 -14.844 0.774 122 1HG PRO 14 1HG PRO 14 -19.286 -14.724 -1.896 123 2HG PRO 14 2HG PRO 14 -18.383 -13.481 -1.052 124 1HD PRO 14 1HD PRO 14 -17.443 -15.117 -3.213 125 2HD PRO 14 2HD PRO 14 -16.507 -13.957 -2.292 126 H TRP 15 H TRP 15 -17.965 -18.383 1.183 127 HA TRP 15 HA TRP 15 -18.066 -20.476 -0.687 128 1HB TRP 15 1HB TRP 15 -18.628 -20.064 2.158 129 2HB TRP 15 2HB TRP 15 -19.679 -21.251 1.410 130 HD1 TRP 15 HD TRP 15 -16.775 -21.459 3.364 131 HE1 TRP 15 1HE TRP 15 -15.108 -23.429 2.807 132 HE3 TRP 15 3HE TRP 15 -18.603 -22.388 -1.289 133 HZ2 TRP 15 2HZ TRP 15 -14.750 -25.115 0.532 134 HZ3 TRP 15 3HZ TRP 15 -17.537 -24.214 -2.613 135 HH2 TRP 15 HH TRP 15 -15.676 -25.555 -1.772 136 H ASP 16 H ASP 16 -20.352 -17.985 0.437 137 HA ASP 16 HA ASP 16 -21.967 -18.288 -1.770 138 1HB ASP 16 1HB ASP 16 -22.591 -20.099 0.437 139 2HB ASP 16 2HB ASP 16 -23.917 -18.980 0.194 140 H ASP 17 H ASP 17 -24.285 -17.097 -1.164 141 HA ASP 17 HA ASP 17 -23.649 -14.586 -0.351 142 1HB ASP 17 1HB ASP 17 -25.889 -14.123 -0.700 143 2HB ASP 17 2HB ASP 17 -25.824 -15.699 -1.464 144 H GLU 18 H GLU 18 -24.260 -17.489 1.515 145 HA GLU 18 HA GLU 18 -25.227 -16.278 3.843 146 1HB GLU 18 1HB GLU 18 -24.921 -18.426 4.869 147 2HB GLU 18 2HB GLU 18 -25.384 -18.737 3.207 148 1HG GLU 18 1HG GLU 18 -22.915 -18.956 2.628 149 2HG GLU 18 2HG GLU 18 -22.546 -18.804 4.334 150 H THR 19 H THR 19 -21.941 -17.097 2.625 151 HA THR 19 HA THR 19 -20.450 -16.726 4.888 152 HB THR 19 HB THR 19 -20.006 -16.166 1.927 153 HG1 THR 19 1HG THR 19 -19.221 -18.046 4.032 154 1HG2 THR 19 2HG2 THR 19 -17.908 -16.103 4.160 155 2HG2 THR 19 3HG2 THR 19 -17.588 -15.991 2.412 156 3HG2 THR 19 1HG2 THR 19 -18.445 -14.673 3.246 157 H ASP 20 H ASP 20 -20.709 -15.191 6.398 158 HA ASP 20 HA ASP 20 -21.807 -12.759 6.020 159 1HB ASP 20 1HB ASP 20 -20.477 -14.145 8.100 160 2HB ASP 20 2HB ASP 20 -19.595 -12.637 7.953 161 H MET 21 H MET 21 -21.051 -11.557 4.192 162 HA MET 21 HA MET 21 -18.404 -11.363 3.457 163 1HB MET 21 1HB MET 21 -20.946 -9.793 2.962 164 2HB MET 21 2HB MET 21 -19.440 -9.064 2.438 165 1HG MET 21 1HG MET 21 -19.116 -11.629 1.475 166 2HG MET 21 2HG MET 21 -20.857 -11.467 1.367 167 1HE MET 21 1HE MET 21 -18.116 -11.568 -0.536 168 2HE MET 21 2HE MET 21 -19.599 -11.777 -1.500 169 3HE MET 21 3HE MET 21 -18.427 -10.509 -1.934 170 H ALA 22 H ALA 22 -20.412 -9.320 5.642 171 HA ALA 22 HA ALA 22 -18.591 -7.235 5.948 172 1HB ALA 22 3HB ALA 22 -20.885 -8.377 7.537 173 2HB ALA 22 1HB ALA 22 -19.875 -7.095 8.248 174 3HB ALA 22 2HB ALA 22 -20.746 -6.800 6.724 175 H LYS 23 H LYS 23 -18.982 -10.378 7.684 176 HA LYS 23 HA LYS 23 -16.952 -9.822 9.568 177 1HB LYS 23 1HB LYS 23 -18.928 -11.568 9.551 178 2HB LYS 23 2HB LYS 23 -17.746 -12.609 8.784 179 1HG LYS 23 1HG LYS 23 -16.853 -13.050 10.817 180 2HG LYS 23 2HG LYS 23 -16.367 -11.371 10.945 181 1HD LYS 23 1HD LYS 23 -18.897 -10.988 11.677 182 2HD LYS 23 2HD LYS 23 -18.865 -12.705 12.020 183 1HE LYS 23 1HE LYS 23 -17.344 -12.479 13.774 184 2HE LYS 23 2HE LYS 23 -16.557 -11.085 13.061 185 1HZ LYS 23 3HZ LYS 23 -18.920 -10.067 13.514 186 2HZ LYS 23 1HZ LYS 23 -18.930 -11.194 14.696 187 3HZ LYS 23 2HZ LYS 23 -17.747 -10.069 14.651 188 H LEU 24 H LEU 24 -17.051 -11.432 6.351 189 HA LEU 24 HA LEU 24 -14.425 -12.390 6.424 190 1HB LEU 24 1HB LEU 24 -16.606 -12.503 4.717 191 2HB LEU 24 2HB LEU 24 -15.404 -11.632 3.785 192 HG LEU 24 HG LEU 24 -14.959 -14.332 5.088 193 1HD1 LEU 24 2HD1 LEU 24 -16.522 -13.812 2.876 194 2HD1 LEU 24 3HD1 LEU 24 -14.940 -14.214 2.164 195 3HD1 LEU 24 1HD1 LEU 24 -15.738 -15.361 3.267 196 1HD2 LEU 24 3HD2 LEU 24 -13.064 -12.471 4.347 197 2HD2 LEU 24 1HD2 LEU 24 -12.806 -14.225 4.515 198 3HD2 LEU 24 2HD2 LEU 24 -13.169 -13.527 2.917 199 H GLU 25 H GLU 25 -15.854 -9.276 5.281 200 HA GLU 25 HA GLU 25 -13.329 -8.320 4.438 201 1HB GLU 25 1HB GLU 25 -15.481 -7.570 3.430 202 2HB GLU 25 2HB GLU 25 -15.943 -6.832 4.952 203 1HG GLU 25 1HG GLU 25 -13.847 -5.394 4.818 204 2HG GLU 25 2HG GLU 25 -13.545 -6.060 3.225 205 H GLU 26 H GLU 26 -15.273 -8.214 7.418 206 HA GLU 26 HA GLU 26 -13.861 -6.096 8.588 207 1HB GLU 26 1HB GLU 26 -15.944 -6.473 9.577 208 2HB GLU 26 2HB GLU 26 -15.775 -8.216 9.537 209 1HG GLU 26 1HG GLU 26 -14.679 -8.294 11.555 210 2HG GLU 26 2HG GLU 26 -13.732 -6.859 11.214 211 H CYS 27 H CYS 27 -13.757 -9.689 9.181 212 HA CYS 27 HA CYS 27 -11.758 -9.788 10.973 213 1HB CYS 27 1HB CYS 27 -13.129 -11.693 9.877 214 2HB CYS 27 2HB CYS 27 -11.849 -11.756 8.682 215 HG CYS 27 HG CYS 27 -10.721 -13.393 10.007 216 H VAL 28 H VAL 28 -11.410 -9.814 7.347 217 HA VAL 28 HA VAL 28 -8.717 -9.907 7.129 218 HB VAL 28 HB VAL 28 -10.764 -8.338 5.559 219 1HG1 VAL 28 3HG1 VAL 28 -7.986 -7.973 5.439 220 2HG1 VAL 28 1HG1 VAL 28 -8.374 -9.034 4.063 221 3HG1 VAL 28 2HG1 VAL 28 -9.192 -7.463 4.234 222 1HG2 VAL 28 3HG2 VAL 28 -10.447 -11.049 5.813 223 2HG2 VAL 28 1HG2 VAL 28 -11.172 -10.231 4.408 224 3HG2 VAL 28 2HG2 VAL 28 -9.455 -10.702 4.377 225 H ARG 29 H ARG 29 -10.464 -6.731 6.927 226 HA ARG 29 HA ARG 29 -8.299 -5.187 7.301 227 1HB ARG 29 1HB ARG 29 -9.883 -3.417 8.066 228 2HB ARG 29 2HB ARG 29 -10.538 -4.309 6.707 229 1HG ARG 29 1HG ARG 29 -12.025 -5.580 8.117 230 2HG ARG 29 2HG ARG 29 -11.178 -5.104 9.576 231 1HD ARG 29 1HD ARG 29 -12.809 -3.506 9.761 232 2HD ARG 29 2HD ARG 29 -11.874 -2.630 8.565 233 HE ARG 29 HE ARG 29 -13.485 -4.353 7.064 234 1HH1 ARG 29 2HH2 ARG 29 -14.049 -1.828 9.449 235 2HH1 ARG 29 1HH2 ARG 29 -15.591 -1.380 8.798 236 1HH2 ARG 29 2HH1 ARG 29 -15.519 -3.764 6.205 237 2HH2 ARG 29 1HH1 ARG 29 -16.432 -2.489 6.940 238 H SER 30 H SER 30 -10.101 -7.081 9.692 239 HA SER 30 HA SER 30 -9.325 -5.715 11.969 240 1HB SER 30 1HB SER 30 -10.654 -7.282 12.903 241 2HB SER 30 2HB SER 30 -10.795 -8.045 11.332 242 HG SER 30 HG SER 30 -9.204 -8.767 13.559 243 H ILE 31 H ILE 31 -7.594 -7.856 9.781 244 HA ILE 31 HA ILE 31 -5.637 -8.781 11.568 245 HB ILE 31 HB ILE 31 -5.547 -8.384 8.576 246 1HG1 ILE 31 1HG1 ILE 31 -6.089 -10.973 10.024 247 2HG1 ILE 31 2HG1 ILE 31 -7.390 -9.857 9.654 248 1HG2 ILE 31 1HG2 ILE 31 -3.586 -9.429 10.512 249 2HG2 ILE 31 2HG2 ILE 31 -3.899 -10.485 9.115 250 3HG2 ILE 31 3HG2 ILE 31 -3.361 -8.808 8.860 251 1HD1 ILE 31 3HD1 ILE 31 -6.470 -9.867 7.216 252 2HD1 ILE 31 1HD1 ILE 31 -5.549 -11.305 7.718 253 3HD1 ILE 31 2HD1 ILE 31 -7.329 -11.320 7.780 254 H GLN 32 H GLN 32 -3.806 -7.863 12.391 255 HA GLN 32 HA GLN 32 -3.082 -5.276 11.261 256 1HB GLN 32 1HB GLN 32 -4.365 -5.170 13.500 257 2HB GLN 32 2HB GLN 32 -2.953 -5.904 14.236 258 1HG GLN 32 1HG GLN 32 -1.685 -3.990 14.048 259 2HG GLN 32 2HG GLN 32 -2.340 -3.583 12.474 260 1HE2 GLN 32 2HE2 GLN 32 -4.399 -2.513 15.921 261 2HE2 GLN 32 1HE2 GLN 32 -3.409 -3.932 15.855 262 H ALA 33 H ALA 33 -0.831 -4.831 11.154 263 HA ALA 33 HA ALA 33 1.019 -6.635 12.408 264 1HB ALA 33 1HB ALA 33 0.096 -7.084 9.680 265 2HB ALA 33 2HB ALA 33 1.843 -6.746 9.719 266 3HB ALA 33 3HB ALA 33 1.173 -8.080 10.689 267 H ASP 34 H ASP 34 3.071 -5.685 12.602 268 HA ASP 34 HA ASP 34 3.205 -2.995 12.605 269 1HB ASP 34 1HB ASP 34 4.844 -4.888 13.478 270 2HB ASP 34 2HB ASP 34 5.661 -4.649 11.946 271 H GLY 35 H GLY 35 4.577 -5.288 10.119 272 1HA GLY 35 1HA GLY 35 5.117 -3.091 8.290 273 2HA GLY 35 2HA GLY 35 5.525 -4.783 8.086 274 H LEU 36 H LEU 36 2.257 -3.776 9.095 275 HA LEU 36 HA LEU 36 1.317 -4.390 6.381 276 1HB LEU 36 1HB LEU 36 0.999 -6.269 7.985 277 2HB LEU 36 2HB LEU 36 -0.008 -5.222 8.964 278 HG LEU 36 HG LEU 36 -0.935 -5.235 6.215 279 1HD1 LEU 36 3HD1 LEU 36 -0.064 -7.810 7.300 280 2HD1 LEU 36 1HD1 LEU 36 -1.781 -7.787 6.831 281 3HD1 LEU 36 2HD1 LEU 36 -0.529 -7.353 5.643 282 1HD2 LEU 36 1HD2 LEU 36 -1.990 -5.490 8.956 283 2HD2 LEU 36 2HD2 LEU 36 -2.626 -4.603 7.550 284 3HD2 LEU 36 3HD2 LEU 36 -2.921 -6.352 7.708 285 H VAL 37 H VAL 37 -0.121 -2.945 5.510 286 HA VAL 37 HA VAL 37 -1.337 -1.017 7.337 287 HB VAL 37 HB VAL 37 0.495 -0.436 5.024 288 1HG1 VAL 37 1HG1 VAL 37 -1.787 1.250 6.055 289 2HG1 VAL 37 2HG1 VAL 37 -0.333 1.997 5.349 290 3HG1 VAL 37 3HG1 VAL 37 -1.324 0.885 4.375 291 1HG2 VAL 37 2HG2 VAL 37 0.376 0.202 7.945 292 2HG2 VAL 37 3HG2 VAL 37 1.763 -0.246 6.923 293 3HG2 VAL 37 1HG2 VAL 37 1.101 1.404 6.851 294 H TRP 38 H TRP 38 -3.475 -1.422 7.055 295 HA TRP 38 HA TRP 38 -4.456 -2.495 4.606 296 1HB TRP 38 1HB TRP 38 -5.686 -1.607 7.197 297 2HB TRP 38 2HB TRP 38 -6.695 -1.973 5.812 298 HD1 TRP 38 HD TRP 38 -5.494 -3.682 8.758 299 HE1 TRP 38 1HE TRP 38 -5.426 -6.313 8.568 300 HE3 TRP 38 3HE TRP 38 -5.877 -3.852 3.690 301 HZ2 TRP 38 2HZ TRP 38 -5.538 -8.129 6.371 302 HZ3 TRP 38 3HZ TRP 38 -5.890 -6.095 2.601 303 HH2 TRP 38 HH TRP 38 -5.730 -8.186 3.857 304 H GLY 39 H GLY 39 -5.237 -1.387 2.841 305 1HA GLY 39 1HA GLY 39 -5.150 1.539 2.974 306 2HA GLY 39 2HA GLY 39 -5.154 0.540 1.534 307 H SER 40 H SER 40 -7.277 -1.025 1.498 308 HA SER 40 HA SER 40 -9.587 -0.311 2.675 309 1HB SER 40 1HB SER 40 -8.789 1.806 0.961 310 2HB SER 40 2HB SER 40 -10.070 0.979 0.100 311 HG SER 40 HG SER 40 -11.506 1.778 1.469 312 H SER 41 H SER 41 -11.123 -1.852 2.071 313 HA SER 41 HA SER 41 -10.304 -3.597 -0.054 314 1HB SER 41 1HB SER 41 -11.978 -5.132 0.824 315 2HB SER 41 2HB SER 41 -11.054 -4.484 2.164 316 HG SER 41 HG SER 41 -12.842 -3.646 2.981 317 H LYS 42 H LYS 42 -12.089 -4.459 -1.591 318 HA LYS 42 HA LYS 42 -14.046 -2.367 -2.187 319 1HB LYS 42 1HB LYS 42 -13.430 -2.977 -4.680 320 2HB LYS 42 2HB LYS 42 -12.558 -1.739 -3.800 321 1HG LYS 42 1HG LYS 42 -10.699 -3.186 -3.364 322 2HG LYS 42 2HG LYS 42 -11.620 -4.629 -3.739 323 1HD LYS 42 1HD LYS 42 -11.023 -2.479 -5.819 324 2HD LYS 42 2HD LYS 42 -9.959 -3.845 -5.542 325 1HE LYS 42 1HE LYS 42 -11.751 -5.431 -6.121 326 2HE LYS 42 2HE LYS 42 -12.923 -4.133 -6.227 327 1HZ LYS 42 3HZ LYS 42 -10.892 -3.391 -7.880 328 2HZ LYS 42 1HZ LYS 42 -11.065 -4.990 -8.158 329 3HZ LYS 42 2HZ LYS 42 -12.342 -3.989 -8.333 330 H LEU 43 H LEU 43 -15.804 -3.204 -3.675 331 HA LEU 43 HA LEU 43 -16.162 -6.087 -3.236 332 1HB LEU 43 1HB LEU 43 -17.888 -3.788 -2.559 333 2HB LEU 43 2HB LEU 43 -18.701 -5.133 -3.336 334 HG LEU 43 HG LEU 43 -18.926 -5.479 -1.015 335 1HD1 LEU 43 2HD1 LEU 43 -18.152 -7.444 -2.464 336 2HD1 LEU 43 3HD1 LEU 43 -16.576 -7.257 -1.658 337 3HD1 LEU 43 1HD1 LEU 43 -18.030 -7.620 -0.698 338 1HD2 LEU 43 3HD2 LEU 43 -16.515 -4.058 -0.802 339 2HD2 LEU 43 1HD2 LEU 43 -17.535 -4.679 0.518 340 3HD2 LEU 43 2HD2 LEU 43 -16.190 -5.664 -0.106 341 H VAL 44 H VAL 44 -17.252 -7.250 -4.917 342 HA VAL 44 HA VAL 44 -17.817 -5.754 -7.343 343 HB VAL 44 HB VAL 44 -15.576 -7.687 -6.959 344 1HG1 VAL 44 3HG1 VAL 44 -17.246 -7.465 -9.480 345 2HG1 VAL 44 1HG1 VAL 44 -15.589 -8.114 -9.447 346 3HG1 VAL 44 2HG1 VAL 44 -16.882 -8.927 -8.533 347 1HG2 VAL 44 2HG2 VAL 44 -15.864 -4.963 -7.677 348 2HG2 VAL 44 3HG2 VAL 44 -14.370 -5.928 -7.612 349 3HG2 VAL 44 1HG2 VAL 44 -15.290 -5.814 -9.131 350 HA PRO 45 HA PRO 45 -20.939 -8.824 -6.737 351 1HB PRO 45 1HB PRO 45 -22.942 -7.479 -8.020 352 2HB PRO 45 2HB PRO 45 -22.605 -7.293 -6.310 353 1HG PRO 45 1HG PRO 45 -21.993 -5.442 -8.533 354 2HG PRO 45 2HG PRO 45 -22.058 -5.110 -6.814 355 1HD PRO 45 1HD PRO 45 -19.698 -5.438 -8.410 356 2HD PRO 45 2HD PRO 45 -19.766 -5.220 -6.672 357 H VAL 46 H VAL 46 -21.768 -10.531 -7.925 358 HA VAL 46 HA VAL 46 -20.689 -10.521 -10.635 359 HB VAL 46 HB VAL 46 -21.570 -12.651 -8.699 360 1HG1 VAL 46 2HG1 VAL 46 -20.931 -13.013 -11.647 361 2HG1 VAL 46 3HG1 VAL 46 -21.096 -14.329 -10.460 362 3HG1 VAL 46 1HG1 VAL 46 -22.498 -13.305 -10.853 363 1HG2 VAL 46 1HG2 VAL 46 -19.192 -11.510 -8.850 364 2HG2 VAL 46 2HG2 VAL 46 -19.352 -13.264 -8.591 365 3HG2 VAL 46 3HG2 VAL 46 -18.981 -12.635 -10.215 366 H GLY 47 H GLY 47 -23.649 -11.932 -9.068 367 1HA GLY 47 1HA GLY 47 -25.179 -10.954 -11.405 368 2HA GLY 47 2HA GLY 47 -25.495 -12.456 -10.560 369 H TYR 48 H TYR 48 -26.194 -12.345 -8.238 370 HA TYR 48 HA TYR 48 -26.928 -9.878 -7.086 371 1HB TYR 48 1HB TYR 48 -28.627 -9.999 -8.933 372 2HB TYR 48 2HB TYR 48 -29.015 -11.652 -8.498 373 HD1 TYR 48 1HD TYR 48 -29.288 -8.119 -7.399 374 HD2 TYR 48 2HD TYR 48 -30.578 -12.147 -6.751 375 HE1 TYR 48 1HE TYR 48 -31.130 -7.288 -5.856 376 HE2 TYR 48 2HE TYR 48 -32.415 -11.303 -5.209 377 HH TYR 48 HH TYR 48 -33.707 -8.866 -5.117 378 H GLY 49 H GLY 49 -25.736 -11.047 -5.403 379 1HA GLY 49 1HA GLY 49 -27.158 -12.035 -3.362 380 2HA GLY 49 2HA GLY 49 -26.936 -13.468 -4.345 381 H ILE 50 H ILE 50 -24.348 -12.967 -5.452 382 HA ILE 50 HA ILE 50 -22.729 -13.015 -3.001 383 HB ILE 50 HB ILE 50 -22.466 -14.581 -5.565 384 1HG1 ILE 50 1HG1 ILE 50 -22.393 -16.400 -3.579 385 2HG1 ILE 50 2HG1 ILE 50 -23.383 -15.184 -2.797 386 1HG2 ILE 50 1HG2 ILE 50 -20.489 -14.089 -3.355 387 2HG2 ILE 50 2HG2 ILE 50 -20.493 -15.631 -4.245 388 3HG2 ILE 50 3HG2 ILE 50 -20.245 -14.099 -5.118 389 1HD1 ILE 50 3HD1 ILE 50 -24.674 -15.160 -5.129 390 2HD1 ILE 50 1HD1 ILE 50 -23.950 -16.778 -5.294 391 3HD1 ILE 50 2HD1 ILE 50 -25.018 -16.417 -3.916 392 H LYS 51 H LYS 51 -20.547 -12.120 -3.167 393 HA LYS 51 HA LYS 51 -20.165 -10.372 -5.473 394 1HB LYS 51 1HB LYS 51 -20.306 -9.494 -2.586 395 2HB LYS 51 2HB LYS 51 -19.432 -8.572 -3.792 396 1HG LYS 51 1HG LYS 51 -21.350 -7.768 -4.726 397 2HG LYS 51 2HG LYS 51 -22.097 -9.353 -4.762 398 1HD LYS 51 1HD LYS 51 -23.198 -9.030 -2.769 399 2HD LYS 51 2HD LYS 51 -21.835 -8.216 -2.027 400 1HE LYS 51 1HE LYS 51 -22.423 -6.104 -2.942 401 2HE LYS 51 2HE LYS 51 -23.391 -6.814 -4.219 402 1HZ LYS 51 3HZ LYS 51 -24.937 -7.558 -2.494 403 2HZ LYS 51 1HZ LYS 51 -24.061 -6.776 -1.360 404 3HZ LYS 51 2HZ LYS 51 -24.801 -5.931 -2.545 405 H LYS 52 H LYS 52 -17.835 -9.395 -5.349 406 HA LYS 52 HA LYS 52 -16.099 -11.649 -4.843 407 1HB LYS 52 1HB LYS 52 -16.216 -9.562 -6.743 408 2HB LYS 52 2HB LYS 52 -14.763 -9.273 -5.808 409 1HG LYS 52 1HG LYS 52 -13.993 -11.587 -6.209 410 2HG LYS 52 2HG LYS 52 -15.490 -11.975 -7.035 411 1HD LYS 52 1HD LYS 52 -14.478 -9.632 -8.316 412 2HD LYS 52 2HD LYS 52 -13.096 -10.686 -8.090 413 1HE LYS 52 1HE LYS 52 -15.071 -12.464 -8.956 414 2HE LYS 52 2HE LYS 52 -15.441 -11.015 -9.872 415 1HZ LYS 52 1HZ LYS 52 -12.765 -12.221 -9.717 416 2HZ LYS 52 2HZ LYS 52 -13.814 -12.458 -10.946 417 3HZ LYS 52 3HZ LYS 52 -13.209 -10.967 -10.664 418 H LEU 53 H LEU 53 -14.848 -11.906 -3.068 419 HA LEU 53 HA LEU 53 -14.896 -9.768 -1.113 420 1HB LEU 53 1HB LEU 53 -15.160 -12.462 -0.917 421 2HB LEU 53 2HB LEU 53 -13.454 -12.283 -0.556 422 HG LEU 53 HG LEU 53 -15.066 -12.300 1.410 423 1HD1 LEU 53 2HD1 LEU 53 -12.722 -10.678 0.913 424 2HD1 LEU 53 3HD1 LEU 53 -13.783 -9.914 2.121 425 3HD1 LEU 53 1HD1 LEU 53 -13.202 -11.578 2.373 426 1HD2 LEU 53 1HD2 LEU 53 -16.505 -10.489 0.021 427 2HD2 LEU 53 2HD2 LEU 53 -16.571 -10.663 1.791 428 3HD2 LEU 53 3HD2 LEU 53 -15.554 -9.399 1.058 429 H GLN 54 H GLN 54 -13.590 -8.376 -2.665 430 HA GLN 54 HA GLN 54 -10.812 -9.184 -2.729 431 1HB GLN 54 1HB GLN 54 -12.556 -7.509 -4.389 432 2HB GLN 54 2HB GLN 54 -11.068 -6.673 -3.989 433 1HG GLN 54 1HG GLN 54 -9.701 -8.358 -4.983 434 2HG GLN 54 2HG GLN 54 -10.984 -9.552 -4.950 435 1HE2 GLN 54 2HE2 GLN 54 -10.330 -7.466 -8.252 436 2HE2 GLN 54 1HE2 GLN 54 -9.232 -7.756 -6.944 437 H ILE 55 H ILE 55 -9.103 -7.790 -1.908 438 HA ILE 55 HA ILE 55 -9.873 -5.485 -0.371 439 HB ILE 55 HB ILE 55 -9.622 -6.244 1.719 440 1HG1 ILE 55 1HG1 ILE 55 -7.224 -6.841 1.308 441 2HG1 ILE 55 2HG1 ILE 55 -8.034 -7.829 2.506 442 1HG2 ILE 55 1HG2 ILE 55 -10.327 -8.770 0.212 443 2HG2 ILE 55 2HG2 ILE 55 -10.413 -8.617 1.983 444 3HG2 ILE 55 3HG2 ILE 55 -11.431 -7.583 0.951 445 1HD1 ILE 55 2HD1 ILE 55 -7.688 -8.621 -0.423 446 2HD1 ILE 55 3HD1 ILE 55 -6.650 -9.181 0.911 447 3HD1 ILE 55 1HD1 ILE 55 -8.370 -9.636 0.871 448 H GLN 56 H GLN 56 -8.061 -4.132 0.118 449 HA GLN 56 HA GLN 56 -5.610 -5.063 -1.160 450 1HB GLN 56 1HB GLN 56 -6.910 -3.305 -2.472 451 2HB GLN 56 2HB GLN 56 -6.625 -2.189 -1.152 452 1HG GLN 56 1HG GLN 56 -4.284 -2.126 -1.528 453 2HG GLN 56 2HG GLN 56 -4.277 -3.656 -2.383 454 1HE2 GLN 56 2HE2 GLN 56 -3.938 -1.752 -5.296 455 2HE2 GLN 56 1HE2 GLN 56 -3.194 -2.793 -4.128 456 H CYS 57 H CYS 57 -3.606 -4.387 -0.176 457 HA CYS 57 HA CYS 57 -3.937 -3.069 2.412 458 1HB CYS 57 1HB CYS 57 -3.586 -5.733 2.343 459 2HB CYS 57 2HB CYS 57 -1.906 -5.249 2.222 460 HG CYS 57 HG CYS 57 -3.281 -5.746 4.732 461 H VAL 58 H VAL 58 -1.151 -3.130 3.087 462 HA VAL 58 HA VAL 58 0.282 -2.132 0.783 463 HB VAL 58 HB VAL 58 -0.284 -0.385 3.187 464 1HG1 VAL 58 3HG1 VAL 58 1.931 -0.389 1.473 465 2HG1 VAL 58 1HG1 VAL 58 0.892 0.926 0.875 466 3HG1 VAL 58 2HG1 VAL 58 1.426 0.916 2.573 467 1HG2 VAL 58 3HG2 VAL 58 -1.311 -0.283 0.337 468 2HG2 VAL 58 1HG2 VAL 58 -2.255 -0.419 1.841 469 3HG2 VAL 58 2HG2 VAL 58 -1.397 1.094 1.463 470 H VAL 59 H VAL 59 1.194 -4.326 1.523 471 HA VAL 59 HA VAL 59 2.725 -4.193 3.966 472 HB VAL 59 HB VAL 59 3.192 -6.471 3.578 473 1HG1 VAL 59 3HG1 VAL 59 0.391 -5.657 2.820 474 2HG1 VAL 59 1HG1 VAL 59 0.851 -7.375 2.890 475 3HG1 VAL 59 2HG1 VAL 59 0.993 -6.355 4.343 476 1HG2 VAL 59 1HG2 VAL 59 2.989 -5.728 0.776 477 2HG2 VAL 59 2HG2 VAL 59 3.780 -7.135 1.527 478 3HG2 VAL 59 3HG2 VAL 59 2.048 -7.198 1.125 479 H GLU 60 H GLU 60 5.128 -5.119 3.681 480 HA GLU 60 HA GLU 60 6.382 -3.166 2.004 481 1HB GLU 60 1HB GLU 60 7.011 -4.509 4.448 482 2HB GLU 60 2HB GLU 60 8.258 -4.957 3.302 483 1HG GLU 60 1HG GLU 60 7.385 -2.062 3.676 484 2HG GLU 60 2HG GLU 60 8.632 -2.787 4.673 485 H ASP 61 H ASP 61 8.544 -4.007 0.849 486 HA ASP 61 HA ASP 61 7.668 -6.279 -0.739 487 1HB ASP 61 1HB ASP 61 8.343 -3.805 -1.607 488 2HB ASP 61 2HB ASP 61 9.951 -4.500 -1.573 489 H ASP 62 H ASP 62 9.491 -5.689 1.918 490 HA ASP 62 HA ASP 62 11.246 -7.868 1.336 491 1HB ASP 62 1HB ASP 62 12.431 -5.655 0.664 492 2HB ASP 62 2HB ASP 62 12.441 -5.264 2.373 493 H LYS 63 H LYS 63 8.910 -7.043 3.113 494 HA LYS 63 HA LYS 63 10.239 -7.495 5.692 495 1HB LYS 63 1HB LYS 63 9.100 -5.140 5.106 496 2HB LYS 63 2HB LYS 63 7.659 -5.997 5.616 497 1HG LYS 63 1HG LYS 63 8.273 -5.516 7.752 498 2HG LYS 63 2HG LYS 63 9.527 -6.727 7.566 499 1HD LYS 63 1HD LYS 63 10.859 -4.706 6.414 500 2HD LYS 63 2HD LYS 63 9.742 -3.722 7.340 501 1HE LYS 63 1HE LYS 63 11.310 -5.977 8.653 502 2HE LYS 63 2HE LYS 63 12.010 -4.382 8.457 503 1HZ LYS 63 2HZ LYS 63 9.384 -4.732 9.696 504 2HZ LYS 63 3HZ LYS 63 10.757 -4.854 10.570 505 3HZ LYS 63 1HZ LYS 63 10.396 -3.455 9.810 506 H VAL 64 H VAL 64 6.794 -7.385 4.578 507 HA VAL 64 HA VAL 64 6.636 -10.227 5.307 508 HB VAL 64 HB VAL 64 5.631 -8.545 6.937 509 1HG1 VAL 64 3HG1 VAL 64 3.739 -8.199 4.599 510 2HG1 VAL 64 1HG1 VAL 64 3.275 -7.832 6.278 511 3HG1 VAL 64 2HG1 VAL 64 4.615 -6.945 5.510 512 1HG2 VAL 64 2HG2 VAL 64 4.936 -11.104 6.285 513 2HG2 VAL 64 3HG2 VAL 64 4.252 -10.184 7.647 514 3HG2 VAL 64 1HG2 VAL 64 3.378 -10.262 6.098 515 H GLY 65 H GLY 65 4.664 -11.303 4.233 516 1HA GLY 65 1HA GLY 65 4.041 -10.071 1.634 517 2HA GLY 65 2HA GLY 65 4.760 -11.668 1.683 518 H THR 66 H THR 66 2.466 -11.834 0.468 519 HA THR 66 HA THR 66 0.212 -12.005 2.232 520 HB THR 66 HB THR 66 0.734 -12.793 -0.680 521 HG1 THR 66 1HG THR 66 -0.415 -10.611 0.884 522 1HG2 THR 66 1HG2 THR 66 -1.753 -12.902 1.063 523 2HG2 THR 66 2HG2 THR 66 -1.899 -12.471 -0.659 524 3HG2 THR 66 3HG2 THR 66 -1.222 -14.049 -0.191 525 H ASP 67 H ASP 67 1.897 -13.433 3.642 526 HA ASP 67 HA ASP 67 1.364 -16.190 2.869 527 1HB ASP 67 1HB ASP 67 3.157 -16.378 4.939 528 2HB ASP 67 2HB ASP 67 3.614 -16.333 3.247 529 H MET 68 H MET 68 1.988 -14.242 5.897 530 HA MET 68 HA MET 68 0.517 -15.918 7.532 531 1HB MET 68 1HB MET 68 2.185 -13.712 7.830 532 2HB MET 68 2HB MET 68 0.636 -13.012 8.257 533 1HG MET 68 1HG MET 68 1.917 -15.476 9.534 534 2HG MET 68 2HG MET 68 1.727 -13.903 10.279 535 1HE MET 68 1HE MET 68 -0.395 -12.687 9.966 536 2HE MET 68 2HE MET 68 -2.009 -13.399 9.725 537 3HE MET 68 3HE MET 68 -1.330 -13.269 11.365 538 H LEU 69 H LEU 69 -0.386 -12.957 5.696 539 HA LEU 69 HA LEU 69 -2.877 -12.552 6.849 540 1HB LEU 69 1HB LEU 69 -1.628 -11.870 4.213 541 2HB LEU 69 2HB LEU 69 -3.327 -11.541 4.485 542 HG LEU 69 HG LEU 69 -0.992 -10.433 6.064 543 1HD1 LEU 69 3HD1 LEU 69 -2.470 -9.517 3.733 544 2HD1 LEU 69 1HD1 LEU 69 -2.539 -8.345 5.070 545 3HD1 LEU 69 2HD1 LEU 69 -0.964 -8.900 4.452 546 1HD2 LEU 69 3HD2 LEU 69 -3.759 -10.772 6.839 547 2HD2 LEU 69 1HD2 LEU 69 -2.374 -10.167 7.781 548 3HD2 LEU 69 2HD2 LEU 69 -3.321 -9.048 6.771 549 H GLU 70 H GLU 70 -1.945 -14.468 3.912 550 HA GLU 70 HA GLU 70 -4.458 -15.292 3.259 551 1HB GLU 70 1HB GLU 70 -2.411 -15.631 1.876 552 2HB GLU 70 2HB GLU 70 -1.851 -16.856 2.997 553 1HG GLU 70 1HG GLU 70 -4.097 -18.079 2.547 554 2HG GLU 70 2HG GLU 70 -4.315 -16.968 1.210 555 H GLU 71 H GLU 71 -2.023 -17.039 5.325 556 HA GLU 71 HA GLU 71 -3.695 -19.131 5.965 557 1HB GLU 71 1HB GLU 71 -1.358 -17.904 7.488 558 2HB GLU 71 2HB GLU 71 -2.120 -19.411 7.955 559 1HG GLU 71 1HG GLU 71 -1.339 -19.217 5.074 560 2HG GLU 71 2HG GLU 71 -0.005 -19.236 6.210 561 H GLN 72 H GLN 72 -3.912 -15.820 6.832 562 HA GLN 72 HA GLN 72 -5.281 -16.424 9.309 563 1HB GLN 72 1HB GLN 72 -3.653 -14.580 9.343 564 2HB GLN 72 2HB GLN 72 -4.481 -13.776 8.024 565 1HG GLN 72 1HG GLN 72 -6.052 -12.879 9.413 566 2HG GLN 72 2HG GLN 72 -6.327 -14.406 10.227 567 1HE2 GLN 72 2HE2 GLN 72 -5.002 -11.989 12.699 568 2HE2 GLN 72 1HE2 GLN 72 -6.374 -12.121 11.650 569 H ILE 73 H ILE 73 -5.810 -14.863 6.088 570 HA ILE 73 HA ILE 73 -8.574 -14.396 6.620 571 HB ILE 73 HB ILE 73 -7.091 -14.357 3.992 572 1HG1 ILE 73 1HG1 ILE 73 -7.593 -11.869 5.569 573 2HG1 ILE 73 2HG1 ILE 73 -6.277 -12.905 6.082 574 1HG2 ILE 73 2HG2 ILE 73 -9.734 -13.218 4.911 575 2HG2 ILE 73 3HG2 ILE 73 -8.880 -12.639 3.460 576 3HG2 ILE 73 1HG2 ILE 73 -9.412 -14.334 3.563 577 1HD1 ILE 73 3HD1 ILE 73 -6.658 -11.807 3.258 578 2HD1 ILE 73 1HD1 ILE 73 -5.486 -11.211 4.457 579 3HD1 ILE 73 2HD1 ILE 73 -5.316 -12.850 3.786 580 H THR 74 H THR 74 -6.766 -16.655 4.418 581 HA THR 74 HA THR 74 -9.103 -18.124 3.774 582 HB THR 74 HB THR 74 -7.555 -19.458 2.504 583 HG1 THR 74 1HG THR 74 -6.046 -20.057 4.098 584 1HG2 THR 74 1HG2 THR 74 -7.429 -16.782 2.149 585 2HG2 THR 74 2HG2 THR 74 -5.780 -17.031 2.770 586 3HG2 THR 74 3HG2 THR 74 -6.314 -17.878 1.298 587 H ALA 75 H ALA 75 -7.353 -17.896 6.665 588 HA ALA 75 HA ALA 75 -7.215 -20.526 7.514 589 1HB ALA 75 2HB ALA 75 -6.816 -17.925 8.558 590 2HB ALA 75 3HB ALA 75 -7.970 -18.720 9.656 591 3HB ALA 75 1HB ALA 75 -6.393 -19.475 9.322 592 H PHE 76 H PHE 76 -9.969 -18.492 6.838 593 HA PHE 76 HA PHE 76 -11.699 -20.221 8.430 594 1HB PHE 76 1HB PHE 76 -11.642 -17.434 7.373 595 2HB PHE 76 2HB PHE 76 -13.185 -18.211 7.085 596 HD1 PHE 76 2HD PHE 76 -13.684 -19.797 9.427 597 HD2 PHE 76 1HD PHE 76 -11.847 -15.982 9.149 598 HE1 PHE 76 2HE PHE 76 -14.380 -19.290 11.785 599 HE2 PHE 76 1HE PHE 76 -12.544 -15.475 11.506 600 HZ PHE 76 HZ PHE 76 -13.802 -17.134 12.795 601 H GLU 77 H GLU 77 -11.765 -22.127 7.158 602 HA GLU 77 HA GLU 77 -12.294 -21.904 4.375 603 1HB GLU 77 1HB GLU 77 -11.475 -23.964 6.246 604 2HB GLU 77 2HB GLU 77 -12.817 -24.562 5.290 605 1HG GLU 77 1HG GLU 77 -10.636 -23.087 3.829 606 2HG GLU 77 2HG GLU 77 -10.257 -24.690 4.425 607 H ASP 78 H ASP 78 -14.195 -21.432 7.092 608 HA ASP 78 HA ASP 78 -16.519 -22.722 5.965 609 1HB ASP 78 1HB ASP 78 -15.743 -21.557 8.613 610 2HB ASP 78 2HB ASP 78 -17.432 -21.385 8.183 611 H TYR 79 H TYR 79 -14.942 -20.149 5.014 612 HA TYR 79 HA TYR 79 -17.336 -18.579 4.529 613 1HB TYR 79 1HB TYR 79 -14.742 -17.713 5.935 614 2HB TYR 79 2HB TYR 79 -15.788 -16.533 5.172 615 HD1 TYR 79 1HD TYR 79 -15.603 -19.057 7.888 616 HD2 TYR 79 2HD TYR 79 -17.788 -15.769 6.239 617 HE1 TYR 79 1HE TYR 79 -16.999 -18.913 10.007 618 HE2 TYR 79 2HE TYR 79 -19.178 -15.636 8.364 619 HH TYR 79 HH TYR 79 -19.471 -18.000 10.474 620 H VAL 80 H VAL 80 -13.772 -18.997 4.076 621 HA VAL 80 HA VAL 80 -13.902 -17.605 1.551 622 HB VAL 80 HB VAL 80 -11.729 -18.916 3.173 623 1HG1 VAL 80 2HG1 VAL 80 -11.663 -17.983 0.316 624 2HG1 VAL 80 3HG1 VAL 80 -10.224 -17.784 1.345 625 3HG1 VAL 80 1HG1 VAL 80 -10.902 -19.406 1.067 626 1HG2 VAL 80 1HG2 VAL 80 -12.507 -16.085 2.488 627 2HG2 VAL 80 2HG2 VAL 80 -12.200 -16.817 4.082 628 3HG2 VAL 80 3HG2 VAL 80 -10.844 -16.484 2.978 629 H GLN 81 H GLN 81 -14.252 -18.539 -0.403 630 HA GLN 81 HA GLN 81 -14.648 -21.374 -0.414 631 1HB GLN 81 1HB GLN 81 -16.238 -19.817 -1.545 632 2HB GLN 81 2HB GLN 81 -14.967 -19.312 -2.640 633 1HG GLN 81 1HG GLN 81 -14.779 -21.986 -3.036 634 2HG GLN 81 2HG GLN 81 -16.455 -21.925 -2.527 635 1HE2 GLN 81 2HE2 GLN 81 -15.822 -21.392 -6.293 636 2HE2 GLN 81 1HE2 GLN 81 -15.062 -22.435 -5.138 637 H SER 82 H SER 82 -12.381 -18.935 -1.752 638 HA SER 82 HA SER 82 -10.300 -20.714 -1.890 639 1HB SER 82 1HB SER 82 -10.122 -20.706 -4.513 640 2HB SER 82 2HB SER 82 -11.119 -21.911 -3.722 641 HG SER 82 HG SER 82 -11.913 -19.582 -5.190 642 H MET 83 H MET 83 -8.841 -19.143 -1.285 643 HA MET 83 HA MET 83 -9.139 -16.487 -2.217 644 1HB MET 83 1HB MET 83 -8.247 -16.899 0.025 645 2HB MET 83 2HB MET 83 -7.017 -17.983 -0.595 646 1HG MET 83 1HG MET 83 -7.066 -15.119 -1.579 647 2HG MET 83 2HG MET 83 -6.415 -15.455 0.013 648 1HE MET 83 2HE MET 83 -4.295 -15.245 0.194 649 2HE MET 83 3HE MET 83 -2.959 -15.928 -0.764 650 3HE MET 83 1HE MET 83 -3.808 -14.470 -1.334 651 H ASP 84 H ASP 84 -7.532 -15.246 -3.456 652 HA ASP 84 HA ASP 84 -5.615 -16.828 -4.902 653 1HB ASP 84 1HB ASP 84 -8.074 -15.579 -6.095 654 2HB ASP 84 2HB ASP 84 -6.588 -15.389 -7.005 655 H VAL 85 H VAL 85 -4.756 -14.930 -6.765 656 HA VAL 85 HA VAL 85 -4.285 -12.542 -5.117 657 HB VAL 85 HB VAL 85 -2.401 -13.952 -7.017 658 1HG1 VAL 85 3HG1 VAL 85 -2.028 -11.467 -5.311 659 2HG1 VAL 85 1HG1 VAL 85 -0.716 -12.330 -6.150 660 3HG1 VAL 85 2HG1 VAL 85 -2.020 -11.562 -7.089 661 1HG2 VAL 85 2HG2 VAL 85 -3.014 -14.497 -4.302 662 2HG2 VAL 85 3HG2 VAL 85 -1.699 -15.175 -5.291 663 3HG2 VAL 85 1HG2 VAL 85 -1.418 -13.708 -4.323 664 H ALA 86 H ALA 86 -4.631 -10.561 -6.080 665 HA ALA 86 HA ALA 86 -5.759 -10.687 -8.769 666 1HB ALA 86 3HB ALA 86 -6.692 -9.535 -6.490 667 2HB ALA 86 1HB ALA 86 -5.795 -8.165 -7.188 668 3HB ALA 86 2HB ALA 86 -7.091 -8.950 -8.122 669 H ALA 87 H ALA 87 -2.945 -9.649 -6.936 670 HA ALA 87 HA ALA 87 -1.385 -9.214 -9.151 671 1HB ALA 87 3HB ALA 87 -3.062 -6.883 -8.389 672 2HB ALA 87 1HB ALA 87 -1.331 -6.536 -8.618 673 3HB ALA 87 2HB ALA 87 -2.273 -7.268 -9.937 674 H PHE 88 H PHE 88 0.757 -8.184 -8.524 675 HA PHE 88 HA PHE 88 1.146 -7.818 -5.695 676 1HB PHE 88 1HB PHE 88 1.349 -10.387 -6.822 677 2HB PHE 88 2HB PHE 88 2.999 -9.813 -6.949 678 HD1 PHE 88 2HD PHE 88 3.827 -8.591 -4.670 679 HD2 PHE 88 1HD PHE 88 0.836 -11.590 -4.933 680 HE1 PHE 88 2HE PHE 88 4.223 -9.197 -2.267 681 HE2 PHE 88 1HE PHE 88 1.232 -12.195 -2.530 682 HZ PHE 88 HZ PHE 88 2.921 -10.992 -1.225 683 H ASN 89 H ASN 89 1.907 -5.723 -6.212 684 HA ASN 89 HA ASN 89 4.589 -5.742 -7.208 685 1HB ASN 89 1HB ASN 89 2.322 -4.233 -8.596 686 2HB ASN 89 2HB ASN 89 3.996 -3.743 -8.771 687 1HD2 ASN 89 2HD2 ASN 89 5.051 -6.596 -10.635 688 2HD2 ASN 89 1HD2 ASN 89 5.547 -5.436 -9.448 689 H LYS 90 H LYS 90 5.172 -3.067 -7.304 690 HA LYS 90 HA LYS 90 4.577 -2.210 -4.616 691 1HB LYS 90 1HB LYS 90 6.186 -0.302 -5.419 692 2HB LYS 90 2HB LYS 90 6.808 -1.895 -5.039 693 1HG LYS 90 1HG LYS 90 7.055 -2.493 -7.327 694 2HG LYS 90 2HG LYS 90 5.921 -1.272 -7.871 695 1HD LYS 90 1HD LYS 90 7.666 0.446 -6.876 696 2HD LYS 90 2HD LYS 90 8.785 -0.901 -6.938 697 1HE LYS 90 1HE LYS 90 9.001 -0.752 -9.205 698 2HE LYS 90 2HE LYS 90 7.266 -0.671 -9.445 699 1HZ LYS 90 2HZ LYS 90 7.527 1.697 -8.591 700 2HZ LYS 90 3HZ LYS 90 9.118 1.520 -8.914 701 3HZ LYS 90 1HZ LYS 90 8.021 1.375 -10.115 702 H ILE 91 H ILE 91 3.685 -0.199 -4.073 703 HA ILE 91 HA ILE 91 2.174 1.184 -6.220 704 HB ILE 91 HB ILE 91 1.043 0.117 -3.604 705 1HG1 ILE 91 1HG1 ILE 91 0.641 -0.495 -6.547 706 2HG1 ILE 91 2HG1 ILE 91 1.002 -1.621 -5.215 707 1HG2 ILE 91 3HG2 ILE 91 0.415 2.532 -4.787 708 2HG2 ILE 91 1HG2 ILE 91 -0.745 1.429 -5.564 709 3HG2 ILE 91 2HG2 ILE 91 -0.701 1.568 -3.790 710 1HD1 ILE 91 1HD1 ILE 91 -1.371 -0.351 -4.424 711 2HD1 ILE 91 2HD1 ILE 91 -1.584 -0.630 -6.170 712 3HD1 ILE 91 3HD1 ILE 91 -1.225 -1.997 -5.087 No H/Q in entry = 712 Start of MODEL 7 1 1H MET 1 H MET 1 11.750 4.415 10.498 2 2H MET 1 2HN MET 1 13.246 4.568 11.193 3 3H MET 1 3HN MET 1 13.097 4.539 9.544 4 HA MET 1 HA MET 1 13.828 2.463 9.977 5 1HB MET 1 1HB MET 1 12.111 2.795 12.437 6 2HB MET 1 2HB MET 1 12.585 1.172 11.882 7 1HG MET 1 1HG MET 1 14.934 1.770 11.976 8 2HG MET 1 2HG MET 1 14.534 3.454 12.354 9 1HE MET 1 3HE MET 1 16.349 1.096 13.447 10 2HE MET 1 1HE MET 1 16.640 2.413 14.610 11 3HE MET 1 2HE MET 1 16.137 0.807 15.191 12 H LEU 2 H LEU 2 11.743 3.618 8.238 13 HA LEU 2 HA LEU 2 10.492 1.166 7.535 14 1HB LEU 2 1HB LEU 2 9.074 2.006 9.443 15 2HB LEU 2 2HB LEU 2 8.647 3.377 8.438 16 HG LEU 2 HG LEU 2 8.104 1.188 6.805 17 1HD1 LEU 2 3HD1 LEU 2 8.416 -0.317 8.731 18 2HD1 LEU 2 1HD1 LEU 2 7.140 0.560 9.609 19 3HD1 LEU 2 2HD1 LEU 2 6.745 -0.331 8.120 20 1HD2 LEU 2 3HD2 LEU 2 6.586 3.229 8.309 21 2HD2 LEU 2 1HD2 LEU 2 6.517 2.769 6.591 22 3HD2 LEU 2 2HD2 LEU 2 5.658 1.794 7.807 23 H VAL 3 H VAL 3 10.922 1.207 5.397 24 HA VAL 3 HA VAL 3 9.964 3.453 3.868 25 HB VAL 3 HB VAL 3 12.896 2.710 3.931 26 1HG1 VAL 3 2HG1 VAL 3 11.320 4.514 2.077 27 2HG1 VAL 3 3HG1 VAL 3 13.084 4.639 2.282 28 3HG1 VAL 3 1HG1 VAL 3 12.365 3.136 1.656 29 1HG2 VAL 3 2HG2 VAL 3 11.405 5.217 4.766 30 2HG2 VAL 3 3HG2 VAL 3 12.372 4.132 5.794 31 3HG2 VAL 3 1HG2 VAL 3 13.171 5.132 4.556 32 H ALA 4 H ALA 4 10.327 2.954 1.428 33 HA ALA 4 HA ALA 4 9.865 1.596 -0.258 34 1HB ALA 4 3HB ALA 4 12.243 0.858 0.547 35 2HB ALA 4 1HB ALA 4 11.409 -0.609 1.114 36 3HB ALA 4 2HB ALA 4 11.365 -0.170 -0.611 37 H LYS 5 H LYS 5 7.586 1.584 0.327 38 HA LYS 5 HA LYS 5 6.729 -0.800 1.776 39 1HB LYS 5 1HB LYS 5 5.419 1.830 1.098 40 2HB LYS 5 2HB LYS 5 4.461 0.444 1.579 41 1HG LYS 5 1HG LYS 5 6.852 1.337 3.234 42 2HG LYS 5 2HG LYS 5 5.285 2.095 3.438 43 1HD LYS 5 1HD LYS 5 5.014 -0.821 3.399 44 2HD LYS 5 2HD LYS 5 6.178 -0.330 4.613 45 1HE LYS 5 1HE LYS 5 4.077 1.527 4.908 46 2HE LYS 5 2HE LYS 5 3.254 0.014 4.590 47 1HZ LYS 5 2HZ LYS 5 5.413 0.193 6.559 48 2HZ LYS 5 3HZ LYS 5 3.860 0.509 6.955 49 3HZ LYS 5 1HZ LYS 5 4.278 -0.973 6.409 50 H SER 6 H SER 6 4.496 -1.682 0.806 51 HA SER 6 HA SER 6 4.500 -1.611 -2.053 52 1HB SER 6 1HB SER 6 5.789 -3.783 -0.588 53 2HB SER 6 2HB SER 6 4.429 -4.398 -1.505 54 HG SER 6 HG SER 6 6.563 -4.287 -2.650 55 H SER 7 H SER 7 2.636 -3.184 -2.870 56 HA SER 7 HA SER 7 0.636 -3.513 -0.806 57 1HB SER 7 1HB SER 7 0.127 -1.303 -1.692 58 2HB SER 7 2HB SER 7 0.259 -1.871 -3.345 59 HG SER 7 HG SER 7 -1.672 -2.969 -1.497 60 H ILE 8 H ILE 8 -0.997 -5.119 -1.371 61 HA ILE 8 HA ILE 8 -0.602 -6.469 -3.921 62 HB ILE 8 HB ILE 8 -0.156 -7.681 -1.211 63 1HG1 ILE 8 1HG1 ILE 8 1.568 -8.737 -3.167 64 2HG1 ILE 8 2HG1 ILE 8 1.462 -7.024 -3.526 65 1HG2 ILE 8 2HG2 ILE 8 -1.415 -8.939 -3.584 66 2HG2 ILE 8 3HG2 ILE 8 -0.120 -9.861 -2.784 67 3HG2 ILE 8 1HG2 ILE 8 -1.547 -9.341 -1.855 68 1HD1 ILE 8 2HD1 ILE 8 1.781 -7.801 -0.638 69 2HD1 ILE 8 3HD1 ILE 8 3.192 -7.982 -1.706 70 3HD1 ILE 8 1HD1 ILE 8 2.424 -6.388 -1.509 71 H LEU 9 H LEU 9 -2.535 -6.905 -4.850 72 HA LEU 9 HA LEU 9 -4.886 -6.543 -3.166 73 1HB LEU 9 1HB LEU 9 -4.591 -5.209 -5.233 74 2HB LEU 9 2HB LEU 9 -4.629 -6.689 -6.172 75 HG LEU 9 HG LEU 9 -6.957 -7.047 -4.998 76 1HD1 LEU 9 1HD1 LEU 9 -6.559 -5.025 -3.506 77 2HD1 LEU 9 2HD1 LEU 9 -6.866 -4.028 -4.948 78 3HD1 LEU 9 3HD1 LEU 9 -8.133 -5.117 -4.332 79 1HD2 LEU 9 3HD2 LEU 9 -6.305 -5.252 -7.325 80 2HD2 LEU 9 1HD2 LEU 9 -6.928 -6.919 -7.321 81 3HD2 LEU 9 2HD2 LEU 9 -7.989 -5.571 -6.848 82 H LEU 10 H LEU 10 -6.396 -8.152 -2.782 83 HA LEU 10 HA LEU 10 -5.761 -10.763 -3.965 84 1HB LEU 10 1HB LEU 10 -5.726 -9.951 -1.202 85 2HB LEU 10 2HB LEU 10 -6.962 -11.168 -1.449 86 HG LEU 10 HG LEU 10 -5.112 -12.518 -2.663 87 1HD1 LEU 10 2HD1 LEU 10 -3.565 -10.250 -1.520 88 2HD1 LEU 10 3HD1 LEU 10 -2.860 -11.877 -1.364 89 3HD1 LEU 10 1HD1 LEU 10 -3.268 -11.235 -2.973 90 1HD2 LEU 10 1HD2 LEU 10 -5.825 -12.237 0.134 91 2HD2 LEU 10 2HD2 LEU 10 -5.500 -13.702 -0.824 92 3HD2 LEU 10 3HD2 LEU 10 -4.155 -12.822 -0.059 93 H ASP 11 H ASP 11 -7.671 -12.260 -4.019 94 HA ASP 11 HA ASP 11 -10.192 -10.868 -3.879 95 1HB ASP 11 1HB ASP 11 -8.954 -10.957 -6.302 96 2HB ASP 11 2HB ASP 11 -9.727 -12.529 -6.341 97 H VAL 12 H VAL 12 -10.951 -12.322 -2.264 98 HA VAL 12 HA VAL 12 -10.688 -15.180 -2.845 99 HB VAL 12 HB VAL 12 -11.405 -13.714 -0.297 100 1HG1 VAL 12 3HG1 VAL 12 -10.900 -16.662 -0.824 101 2HG1 VAL 12 1HG1 VAL 12 -11.067 -15.924 0.786 102 3HG1 VAL 12 2HG1 VAL 12 -12.440 -15.911 -0.345 103 1HG2 VAL 12 1HG2 VAL 12 -8.824 -14.683 -1.451 104 2HG2 VAL 12 2HG2 VAL 12 -9.167 -13.256 -0.442 105 3HG2 VAL 12 3HG2 VAL 12 -9.079 -14.871 0.301 106 H LYS 13 H LYS 13 -12.565 -16.567 -2.695 107 HA LYS 13 HA LYS 13 -15.041 -15.073 -3.204 108 1HB LYS 13 1HB LYS 13 -13.756 -16.834 -4.868 109 2HB LYS 13 2HB LYS 13 -14.892 -17.895 -4.059 110 1HG LYS 13 1HG LYS 13 -16.721 -16.914 -5.043 111 2HG LYS 13 2HG LYS 13 -16.070 -15.294 -4.881 112 1HD LYS 13 1HD LYS 13 -14.780 -15.473 -6.878 113 2HD LYS 13 2HD LYS 13 -14.855 -17.224 -6.884 114 1HE LYS 13 1HE LYS 13 -17.542 -16.592 -7.007 115 2HE LYS 13 2HE LYS 13 -16.847 -15.239 -7.878 116 1HZ LYS 13 1HZ LYS 13 -16.168 -18.033 -8.465 117 2HZ LYS 13 2HZ LYS 13 -17.347 -17.214 -9.242 118 3HZ LYS 13 3HZ LYS 13 -15.796 -16.719 -9.359 119 HA PRO 14 HA PRO 14 -16.565 -16.882 0.418 120 1HB PRO 14 1HB PRO 14 -19.221 -16.304 0.130 121 2HB PRO 14 2HB PRO 14 -18.049 -15.149 0.732 122 1HG PRO 14 1HG PRO 14 -19.336 -15.269 -1.926 123 2HG PRO 14 2HG PRO 14 -18.512 -13.922 -1.165 124 1HD PRO 14 1HD PRO 14 -17.481 -15.614 -3.238 125 2HD PRO 14 2HD PRO 14 -16.617 -14.343 -2.397 126 H TRP 15 H TRP 15 -17.925 -18.583 1.344 127 HA TRP 15 HA TRP 15 -17.890 -20.790 -0.459 128 1HB TRP 15 1HB TRP 15 -18.291 -20.321 2.412 129 2HB TRP 15 2HB TRP 15 -19.271 -21.620 1.764 130 HD1 TRP 15 HD TRP 15 -16.150 -21.386 3.451 131 HE1 TRP 15 1HE TRP 15 -14.384 -23.260 2.871 132 HE3 TRP 15 3HE TRP 15 -18.394 -22.908 -0.852 133 HZ2 TRP 15 2HZ TRP 15 -14.129 -25.125 0.726 134 HZ3 TRP 15 3HZ TRP 15 -17.322 -24.761 -2.129 135 HH2 TRP 15 HH TRP 15 -15.263 -25.860 -1.403 136 H ASP 16 H ASP 16 -20.306 -18.526 0.931 137 HA ASP 16 HA ASP 16 -22.089 -19.210 -1.168 138 1HB ASP 16 1HB ASP 16 -22.443 -20.311 1.551 139 2HB ASP 16 2HB ASP 16 -23.836 -19.386 1.027 140 H ASP 17 H ASP 17 -24.354 -17.891 -0.535 141 HA ASP 17 HA ASP 17 -23.606 -15.249 -0.410 142 1HB ASP 17 1HB ASP 17 -25.701 -15.575 -1.383 143 2HB ASP 17 2HB ASP 17 -26.175 -16.790 -0.212 144 H GLU 18 H GLU 18 -24.603 -17.628 2.075 145 HA GLU 18 HA GLU 18 -25.246 -15.906 4.110 146 1HB GLU 18 1HB GLU 18 -24.726 -17.829 5.617 147 2HB GLU 18 2HB GLU 18 -25.695 -18.302 4.235 148 1HG GLU 18 1HG GLU 18 -23.590 -19.045 3.054 149 2HG GLU 18 2HG GLU 18 -22.669 -18.642 4.489 150 H THR 19 H THR 19 -22.095 -16.877 2.791 151 HA THR 19 HA THR 19 -20.363 -16.390 4.814 152 HB THR 19 HB THR 19 -20.177 -15.549 1.872 153 HG1 THR 19 1HG THR 19 -19.552 -17.908 3.502 154 1HG2 THR 19 3HG2 THR 19 -18.108 -15.959 4.074 155 2HG2 THR 19 1HG2 THR 19 -17.697 -16.235 2.365 156 3HG2 THR 19 2HG2 THR 19 -18.220 -14.621 2.904 157 H ASP 20 H ASP 20 -20.764 -14.884 6.371 158 HA ASP 20 HA ASP 20 -21.878 -12.473 6.066 159 1HB ASP 20 1HB ASP 20 -20.701 -13.810 8.127 160 2HB ASP 20 2HB ASP 20 -19.469 -12.593 7.859 161 H MET 21 H MET 21 -21.246 -11.250 4.205 162 HA MET 21 HA MET 21 -18.625 -10.981 3.366 163 1HB MET 21 1HB MET 21 -21.269 -9.623 2.888 164 2HB MET 21 2HB MET 21 -19.855 -8.704 2.412 165 1HG MET 21 1HG MET 21 -19.678 -11.525 1.556 166 2HG MET 21 2HG MET 21 -21.097 -10.728 0.907 167 1HE MET 21 2HE MET 21 -18.203 -11.843 -0.431 168 2HE MET 21 3HE MET 21 -19.650 -11.447 -1.390 169 3HE MET 21 1HE MET 21 -18.085 -10.698 -1.789 170 H ALA 22 H ALA 22 -20.557 -9.187 5.767 171 HA ALA 22 HA ALA 22 -18.825 -6.957 5.929 172 1HB ALA 22 2HB ALA 22 -21.163 -8.085 7.390 173 2HB ALA 22 3HB ALA 22 -20.098 -7.012 8.329 174 3HB ALA 22 1HB ALA 22 -20.857 -6.423 6.829 175 H LYS 23 H LYS 23 -19.022 -10.161 7.538 176 HA LYS 23 HA LYS 23 -16.999 -9.520 9.439 177 1HB LYS 23 1HB LYS 23 -18.951 -11.339 9.411 178 2HB LYS 23 2HB LYS 23 -17.684 -12.342 8.735 179 1HG LYS 23 1HG LYS 23 -16.846 -12.648 10.816 180 2HG LYS 23 2HG LYS 23 -16.470 -10.938 10.897 181 1HD LYS 23 1HD LYS 23 -19.054 -10.696 11.505 182 2HD LYS 23 2HD LYS 23 -18.915 -12.389 11.933 183 1HE LYS 23 1HE LYS 23 -18.442 -11.202 13.956 184 2HE LYS 23 2HE LYS 23 -16.878 -11.737 13.373 185 1HZ LYS 23 1HZ LYS 23 -17.997 -9.080 12.810 186 2HZ LYS 23 2HZ LYS 23 -16.957 -9.393 14.031 187 3HZ LYS 23 3HZ LYS 23 -16.482 -9.592 12.481 188 H LEU 24 H LEU 24 -17.128 -11.506 6.404 189 HA LEU 24 HA LEU 24 -14.476 -12.253 6.391 190 1HB LEU 24 1HB LEU 24 -16.693 -12.580 4.784 191 2HB LEU 24 2HB LEU 24 -15.602 -11.675 3.754 192 HG LEU 24 HG LEU 24 -14.898 -14.270 5.151 193 1HD1 LEU 24 2HD1 LEU 24 -16.409 -13.769 2.739 194 2HD1 LEU 24 3HD1 LEU 24 -14.907 -14.650 2.372 195 3HD1 LEU 24 1HD1 LEU 24 -16.056 -15.306 3.564 196 1HD2 LEU 24 3HD2 LEU 24 -13.398 -12.631 3.091 197 2HD2 LEU 24 1HD2 LEU 24 -12.931 -12.924 4.784 198 3HD2 LEU 24 2HD2 LEU 24 -12.948 -14.271 3.619 199 H GLU 25 H GLU 25 -16.054 -9.228 5.247 200 HA GLU 25 HA GLU 25 -13.641 -8.236 4.160 201 1HB GLU 25 1HB GLU 25 -15.974 -7.582 3.421 202 2HB GLU 25 2HB GLU 25 -16.164 -6.703 4.925 203 1HG GLU 25 1HG GLU 25 -13.711 -5.755 3.987 204 2HG GLU 25 2HG GLU 25 -14.620 -5.976 2.505 205 H GLU 26 H GLU 26 -15.486 -7.777 7.227 206 HA GLU 26 HA GLU 26 -13.883 -5.745 8.215 207 1HB GLU 26 1HB GLU 26 -15.737 -7.782 9.470 208 2HB GLU 26 2HB GLU 26 -14.793 -6.721 10.496 209 1HG GLU 26 1HG GLU 26 -16.260 -5.427 8.214 210 2HG GLU 26 2HG GLU 26 -17.242 -6.043 9.528 211 H CYS 27 H CYS 27 -13.875 -9.301 9.009 212 HA CYS 27 HA CYS 27 -11.802 -9.411 10.693 213 1HB CYS 27 1HB CYS 27 -13.235 -11.260 9.153 214 2HB CYS 27 2HB CYS 27 -11.561 -11.549 8.723 215 HG CYS 27 HG CYS 27 -10.619 -12.058 10.974 216 H VAL 28 H VAL 28 -11.541 -9.680 7.065 217 HA VAL 28 HA VAL 28 -8.883 -9.800 6.754 218 HB VAL 28 HB VAL 28 -10.938 -8.219 5.208 219 1HG1 VAL 28 3HG1 VAL 28 -8.141 -7.972 4.978 220 2HG1 VAL 28 1HG1 VAL 28 -8.648 -9.013 3.628 221 3HG1 VAL 28 2HG1 VAL 28 -9.380 -7.404 3.833 222 1HG2 VAL 28 3HG2 VAL 28 -10.750 -10.908 5.534 223 2HG2 VAL 28 1HG2 VAL 28 -11.397 -10.124 4.073 224 3HG2 VAL 28 2HG2 VAL 28 -9.708 -10.683 4.109 225 H ARG 29 H ARG 29 -10.789 -6.755 7.264 226 HA ARG 29 HA ARG 29 -8.528 -5.138 7.227 227 1HB ARG 29 1HB ARG 29 -11.305 -4.768 7.352 228 2HB ARG 29 2HB ARG 29 -10.768 -4.159 8.906 229 1HG ARG 29 1HG ARG 29 -9.862 -2.297 7.966 230 2HG ARG 29 2HG ARG 29 -8.982 -3.237 6.777 231 1HD ARG 29 1HD ARG 29 -10.674 -3.072 5.176 232 2HD ARG 29 2HD ARG 29 -11.952 -2.989 6.371 233 HE ARG 29 HE ARG 29 -10.199 -0.656 6.465 234 1HH1 ARG 29 2HH2 ARG 29 -12.977 -2.072 4.833 235 2HH1 ARG 29 1HH2 ARG 29 -13.619 -0.546 4.326 236 1HH2 ARG 29 2HH1 ARG 29 -11.046 1.359 5.798 237 2HH2 ARG 29 1HH1 ARG 29 -12.514 1.419 4.879 238 H SER 30 H SER 30 -10.492 -6.588 9.911 239 HA SER 30 HA SER 30 -9.325 -5.441 12.035 240 1HB SER 30 1HB SER 30 -10.497 -7.000 13.207 241 2HB SER 30 2HB SER 30 -11.084 -7.518 11.638 242 HG SER 30 HG SER 30 -9.564 -9.187 11.576 243 H ILE 31 H ILE 31 -8.157 -8.347 10.205 244 HA ILE 31 HA ILE 31 -6.076 -9.148 11.692 245 HB ILE 31 HB ILE 31 -6.254 -8.829 8.699 246 1HG1 ILE 31 1HG1 ILE 31 -6.738 -11.219 10.504 247 2HG1 ILE 31 2HG1 ILE 31 -7.987 -10.236 9.764 248 1HG2 ILE 31 3HG2 ILE 31 -3.884 -9.025 9.648 249 2HG2 ILE 31 1HG2 ILE 31 -4.344 -10.675 10.127 250 3HG2 ILE 31 2HG2 ILE 31 -4.380 -10.203 8.411 251 1HD1 ILE 31 3HD1 ILE 31 -6.047 -11.075 7.748 252 2HD1 ILE 31 1HD1 ILE 31 -6.700 -12.480 8.625 253 3HD1 ILE 31 2HD1 ILE 31 -7.805 -11.353 7.802 254 H GLN 32 H GLN 32 -4.148 -8.377 12.425 255 HA GLN 32 HA GLN 32 -3.121 -6.003 11.111 256 1HB GLN 32 1HB GLN 32 -4.532 -5.671 13.385 257 2HB GLN 32 2HB GLN 32 -2.993 -6.084 14.114 258 1HG GLN 32 1HG GLN 32 -2.670 -3.801 13.903 259 2HG GLN 32 2HG GLN 32 -2.060 -4.295 12.336 260 1HE2 GLN 32 2HE2 GLN 32 -4.220 -1.617 11.366 261 2HE2 GLN 32 1HE2 GLN 32 -2.634 -1.984 11.959 262 H ALA 33 H ALA 33 -0.808 -5.766 11.258 263 HA ALA 33 HA ALA 33 0.689 -7.645 12.823 264 1HB ALA 33 2HB ALA 33 -0.041 -8.992 10.825 265 2HB ALA 33 3HB ALA 33 0.822 -7.832 9.788 266 3HB ALA 33 1HB ALA 33 1.724 -8.812 10.968 267 H ASP 34 H ASP 34 3.140 -7.308 12.300 268 HA ASP 34 HA ASP 34 3.583 -4.558 12.486 269 1HB ASP 34 1HB ASP 34 5.062 -6.170 13.581 270 2HB ASP 34 2HB ASP 34 5.450 -6.930 12.050 271 H GLY 35 H GLY 35 4.683 -3.143 10.933 272 1HA GLY 35 1HA GLY 35 5.017 -2.299 8.875 273 2HA GLY 35 2HA GLY 35 5.791 -3.831 8.519 274 H LEU 36 H LEU 36 2.402 -3.904 9.486 275 HA LEU 36 HA LEU 36 1.710 -4.469 6.690 276 1HB LEU 36 1HB LEU 36 1.471 -6.424 7.992 277 2HB LEU 36 2HB LEU 36 0.680 -5.563 9.297 278 HG LEU 36 HG LEU 36 -1.260 -5.135 7.757 279 1HD1 LEU 36 2HD1 LEU 36 0.060 -5.455 5.648 280 2HD1 LEU 36 3HD1 LEU 36 0.030 -7.206 5.967 281 3HD1 LEU 36 1HD1 LEU 36 -1.493 -6.323 5.702 282 1HD2 LEU 36 1HD2 LEU 36 -1.032 -7.042 9.457 283 2HD2 LEU 36 2HD2 LEU 36 -2.285 -7.191 8.203 284 3HD2 LEU 36 3HD2 LEU 36 -0.759 -8.094 8.047 285 H VAL 37 H VAL 37 0.087 -3.313 5.700 286 HA VAL 37 HA VAL 37 -1.375 -1.432 7.410 287 HB VAL 37 HB VAL 37 0.265 -0.920 4.957 288 1HG1 VAL 37 2HG1 VAL 37 -2.005 -0.198 4.346 289 2HG1 VAL 37 3HG1 VAL 37 -2.098 0.779 5.830 290 3HG1 VAL 37 1HG1 VAL 37 -0.917 1.193 4.564 291 1HG2 VAL 37 1HG2 VAL 37 0.822 -0.436 7.511 292 2HG2 VAL 37 2HG2 VAL 37 1.310 0.688 6.220 293 3HG2 VAL 37 3HG2 VAL 37 -0.140 1.028 7.194 294 H TRP 38 H TRP 38 -3.552 -1.151 6.882 295 HA TRP 38 HA TRP 38 -4.505 -2.964 4.777 296 1HB TRP 38 1HB TRP 38 -5.530 -2.206 7.465 297 2HB TRP 38 2HB TRP 38 -6.714 -2.472 6.199 298 HD1 TRP 38 HD TRP 38 -5.271 -4.396 8.848 299 HE1 TRP 38 1HE TRP 38 -5.192 -7.003 8.448 300 HE3 TRP 38 3HE TRP 38 -6.011 -4.175 3.823 301 HZ2 TRP 38 2HZ TRP 38 -5.443 -8.644 6.127 302 HZ3 TRP 38 3HZ TRP 38 -6.081 -6.325 2.564 303 HH2 TRP 38 HH TRP 38 -5.812 -8.505 3.636 304 H GLY 39 H GLY 39 -4.497 -1.638 2.949 305 1HA GLY 39 1HA GLY 39 -5.059 1.111 2.957 306 2HA GLY 39 2HA GLY 39 -5.091 0.037 1.574 307 H SER 40 H SER 40 -7.034 -0.213 0.561 308 HA SER 40 HA SER 40 -9.402 -0.053 2.230 309 1HB SER 40 1HB SER 40 -8.593 2.036 0.532 310 2HB SER 40 2HB SER 40 -9.798 1.183 -0.412 311 HG SER 40 HG SER 40 -10.106 2.744 1.891 312 H SER 41 H SER 41 -10.989 -1.561 1.652 313 HA SER 41 HA SER 41 -10.191 -3.399 -0.403 314 1HB SER 41 1HB SER 41 -11.972 -4.834 0.491 315 2HB SER 41 2HB SER 41 -10.972 -4.234 1.799 316 HG SER 41 HG SER 41 -13.352 -2.810 1.037 317 H LYS 42 H LYS 42 -12.144 -4.331 -1.801 318 HA LYS 42 HA LYS 42 -13.993 -2.200 -2.528 319 1HB LYS 42 1HB LYS 42 -12.640 -3.558 -4.802 320 2HB LYS 42 2HB LYS 42 -13.294 -1.938 -4.683 321 1HG LYS 42 1HG LYS 42 -11.376 -1.327 -3.142 322 2HG LYS 42 2HG LYS 42 -10.702 -2.924 -3.403 323 1HD LYS 42 1HD LYS 42 -9.637 -1.285 -4.916 324 2HD LYS 42 2HD LYS 42 -10.523 -2.481 -5.839 325 1HE LYS 42 1HE LYS 42 -11.894 -0.900 -6.730 326 2HE LYS 42 2HE LYS 42 -12.286 -0.257 -5.147 327 1HZ LYS 42 3HZ LYS 42 -9.649 0.361 -6.101 328 2HZ LYS 42 1HZ LYS 42 -10.867 1.048 -6.944 329 3HZ LYS 42 2HZ LYS 42 -10.732 1.316 -5.340 330 H LEU 43 H LEU 43 -15.899 -2.981 -3.630 331 HA LEU 43 HA LEU 43 -16.184 -5.898 -3.409 332 1HB LEU 43 1HB LEU 43 -17.803 -3.684 -2.331 333 2HB LEU 43 2HB LEU 43 -18.720 -4.943 -3.135 334 HG LEU 43 HG LEU 43 -18.659 -5.475 -0.822 335 1HD1 LEU 43 3HD1 LEU 43 -17.575 -7.194 -2.788 336 2HD1 LEU 43 1HD1 LEU 43 -16.635 -7.451 -1.298 337 3HD1 LEU 43 2HD1 LEU 43 -18.406 -7.629 -1.276 338 1HD2 LEU 43 3HD2 LEU 43 -15.813 -4.645 -1.013 339 2HD2 LEU 43 1HD2 LEU 43 -17.010 -4.380 0.278 340 3HD2 LEU 43 2HD2 LEU 43 -16.199 -5.958 0.125 341 H VAL 44 H VAL 44 -17.613 -6.906 -4.987 342 HA VAL 44 HA VAL 44 -18.494 -5.271 -7.187 343 HB VAL 44 HB VAL 44 -16.314 -7.340 -7.526 344 1HG1 VAL 44 3HG1 VAL 44 -17.989 -7.471 -9.328 345 2HG1 VAL 44 1HG1 VAL 44 -17.790 -5.729 -9.637 346 3HG1 VAL 44 2HG1 VAL 44 -16.431 -6.844 -9.921 347 1HG2 VAL 44 2HG2 VAL 44 -16.355 -4.329 -7.885 348 2HG2 VAL 44 3HG2 VAL 44 -15.352 -5.284 -6.767 349 3HG2 VAL 44 1HG2 VAL 44 -15.069 -5.383 -8.521 350 HA PRO 45 HA PRO 45 -21.228 -8.681 -6.427 351 1HB PRO 45 1HB PRO 45 -23.538 -7.364 -7.056 352 2HB PRO 45 2HB PRO 45 -22.870 -7.406 -5.438 353 1HG PRO 45 1HG PRO 45 -22.855 -5.188 -7.392 354 2HG PRO 45 2HG PRO 45 -22.587 -5.127 -5.662 355 1HD PRO 45 1HD PRO 45 -20.590 -4.973 -7.715 356 2HD PRO 45 2HD PRO 45 -20.312 -5.029 -5.985 357 H VAL 46 H VAL 46 -21.877 -10.328 -7.717 358 HA VAL 46 HA VAL 46 -21.628 -9.685 -10.556 359 HB VAL 46 HB VAL 46 -21.398 -12.181 -8.899 360 1HG1 VAL 46 3HG1 VAL 46 -21.755 -12.045 -11.912 361 2HG1 VAL 46 1HG1 VAL 46 -21.183 -13.476 -11.019 362 3HG1 VAL 46 2HG1 VAL 46 -22.825 -12.848 -10.738 363 1HG2 VAL 46 1HG2 VAL 46 -19.612 -10.475 -10.568 364 2HG2 VAL 46 2HG2 VAL 46 -19.282 -11.345 -9.051 365 3HG2 VAL 46 3HG2 VAL 46 -19.315 -12.230 -10.595 366 H GLY 47 H GLY 47 -23.754 -11.555 -8.275 367 1HA GLY 47 1HA GLY 47 -26.152 -10.490 -9.172 368 2HA GLY 47 2HA GLY 47 -25.836 -11.895 -10.171 369 H TYR 48 H TYR 48 -27.819 -12.793 -9.118 370 HA TYR 48 HA TYR 48 -28.887 -14.015 -7.599 371 1HB TYR 48 1HB TYR 48 -25.930 -14.761 -7.402 372 2HB TYR 48 2HB TYR 48 -27.057 -15.546 -6.312 373 HD1 TYR 48 2HD TYR 48 -29.015 -16.855 -7.323 374 HD2 TYR 48 1HD TYR 48 -25.673 -15.511 -9.632 375 HE1 TYR 48 2HE TYR 48 -29.575 -18.549 -9.133 376 HE2 TYR 48 1HE TYR 48 -26.244 -17.211 -11.435 377 HH TYR 48 HH TYR 48 -27.982 -18.489 -12.214 378 H GLY 49 H GLY 49 -25.993 -13.981 -5.511 379 1HA GLY 49 1HA GLY 49 -26.908 -11.832 -3.850 380 2HA GLY 49 2HA GLY 49 -27.288 -13.403 -3.172 381 H ILE 50 H ILE 50 -24.461 -12.955 -5.292 382 HA ILE 50 HA ILE 50 -22.765 -13.301 -2.918 383 HB ILE 50 HB ILE 50 -22.451 -14.332 -5.735 384 1HG1 ILE 50 1HG1 ILE 50 -23.893 -15.784 -4.613 385 2HG1 ILE 50 2HG1 ILE 50 -22.320 -16.535 -4.440 386 1HG2 ILE 50 3HG2 ILE 50 -20.478 -14.362 -3.438 387 2HG2 ILE 50 1HG2 ILE 50 -20.340 -15.364 -4.903 388 3HG2 ILE 50 2HG2 ILE 50 -20.282 -13.589 -5.029 389 1HD1 ILE 50 1HD1 ILE 50 -22.171 -15.191 -2.186 390 2HD1 ILE 50 2HD1 ILE 50 -23.935 -15.033 -2.363 391 3HD1 ILE 50 3HD1 ILE 50 -23.192 -16.648 -2.252 392 H LYS 51 H LYS 51 -20.479 -12.398 -3.251 393 HA LYS 51 HA LYS 51 -20.395 -10.159 -5.086 394 1HB LYS 51 1HB LYS 51 -20.635 -9.869 -2.113 395 2HB LYS 51 2HB LYS 51 -19.596 -8.759 -2.984 396 1HG LYS 51 1HG LYS 51 -21.409 -7.579 -3.655 397 2HG LYS 51 2HG LYS 51 -22.011 -8.985 -4.512 398 1HD LYS 51 1HD LYS 51 -22.492 -9.382 -1.688 399 2HD LYS 51 2HD LYS 51 -23.058 -7.780 -2.116 400 1HE LYS 51 1HE LYS 51 -23.982 -9.303 -4.256 401 2HE LYS 51 2HE LYS 51 -24.121 -10.432 -2.923 402 1HZ LYS 51 3HZ LYS 51 -25.075 -8.161 -1.874 403 2HZ LYS 51 1HZ LYS 51 -25.595 -8.048 -3.418 404 3HZ LYS 51 2HZ LYS 51 -25.994 -9.349 -2.516 405 H LYS 52 H LYS 52 -18.150 -9.147 -5.069 406 HA LYS 52 HA LYS 52 -16.253 -11.318 -4.909 407 1HB LYS 52 1HB LYS 52 -16.630 -9.049 -6.559 408 2HB LYS 52 2HB LYS 52 -15.118 -8.788 -5.714 409 1HG LYS 52 1HG LYS 52 -14.294 -11.014 -6.421 410 2HG LYS 52 2HG LYS 52 -15.833 -11.371 -7.182 411 1HD LYS 52 1HD LYS 52 -15.426 -9.207 -8.591 412 2HD LYS 52 2HD LYS 52 -13.772 -9.293 -8.018 413 1HE LYS 52 1HE LYS 52 -13.939 -11.831 -8.837 414 2HE LYS 52 2HE LYS 52 -15.256 -11.220 -9.820 415 1HZ LYS 52 3HZ LYS 52 -12.923 -9.580 -9.886 416 2HZ LYS 52 1HZ LYS 52 -12.673 -11.083 -10.472 417 3HZ LYS 52 2HZ LYS 52 -13.838 -10.139 -11.117 418 H LEU 53 H LEU 53 -14.761 -11.625 -3.324 419 HA LEU 53 HA LEU 53 -14.793 -9.681 -1.155 420 1HB LEU 53 1HB LEU 53 -14.791 -12.480 -1.293 421 2HB LEU 53 2HB LEU 53 -13.193 -12.052 -0.716 422 HG LEU 53 HG LEU 53 -14.977 -12.502 1.035 423 1HD1 LEU 53 2HD1 LEU 53 -12.851 -11.441 1.575 424 2HD1 LEU 53 3HD1 LEU 53 -13.515 -9.849 1.132 425 3HD1 LEU 53 1HD1 LEU 53 -14.175 -10.731 2.530 426 1HD2 LEU 53 3HD2 LEU 53 -16.415 -10.602 -0.447 427 2HD2 LEU 53 1HD2 LEU 53 -16.873 -11.350 1.102 428 3HD2 LEU 53 2HD2 LEU 53 -15.996 -9.801 1.088 429 H GLN 54 H GLN 54 -13.643 -8.269 -2.953 430 HA GLN 54 HA GLN 54 -10.838 -8.936 -3.084 431 1HB GLN 54 1HB GLN 54 -11.731 -8.220 -5.180 432 2HB GLN 54 2HB GLN 54 -12.589 -6.874 -4.459 433 1HG GLN 54 1HG GLN 54 -10.746 -5.511 -4.493 434 2HG GLN 54 2HG GLN 54 -9.670 -6.786 -3.958 435 1HE2 GLN 54 2HE2 GLN 54 -8.667 -7.882 -7.138 436 2HE2 GLN 54 1HE2 GLN 54 -8.788 -8.242 -5.449 437 H ILE 55 H ILE 55 -9.181 -7.708 -2.110 438 HA ILE 55 HA ILE 55 -9.942 -5.312 -0.671 439 HB ILE 55 HB ILE 55 -9.611 -6.031 1.437 440 1HG1 ILE 55 1HG1 ILE 55 -7.275 -6.737 1.030 441 2HG1 ILE 55 2HG1 ILE 55 -8.117 -7.769 2.169 442 1HG2 ILE 55 3HG2 ILE 55 -10.437 -8.596 0.051 443 2HG2 ILE 55 1HG2 ILE 55 -10.592 -8.270 1.794 444 3HG2 ILE 55 2HG2 ILE 55 -11.508 -7.293 0.621 445 1HD1 ILE 55 2HD1 ILE 55 -8.456 -8.709 -0.598 446 2HD1 ILE 55 3HD1 ILE 55 -6.745 -8.620 -0.118 447 3HD1 ILE 55 1HD1 ILE 55 -7.887 -9.595 0.837 448 H GLN 56 H GLN 56 -7.943 -4.194 0.217 449 HA GLN 56 HA GLN 56 -5.605 -5.002 -1.322 450 1HB GLN 56 1HB GLN 56 -6.762 -3.111 -2.468 451 2HB GLN 56 2HB GLN 56 -6.640 -2.148 -1.009 452 1HG GLN 56 1HG GLN 56 -4.788 -1.461 -2.354 453 2HG GLN 56 2HG GLN 56 -4.090 -2.502 -1.129 454 1HE2 GLN 56 2HE2 GLN 56 -3.675 -3.308 -5.047 455 2HE2 GLN 56 1HE2 GLN 56 -4.290 -1.835 -4.374 456 H CYS 57 H CYS 57 -3.569 -4.606 -0.305 457 HA CYS 57 HA CYS 57 -3.717 -3.424 2.354 458 1HB CYS 57 1HB CYS 57 -2.034 -5.362 2.990 459 2HB CYS 57 2HB CYS 57 -3.767 -5.580 3.127 460 HG CYS 57 HG CYS 57 -3.886 -7.487 1.742 461 H VAL 58 H VAL 58 -1.443 -2.843 3.136 462 HA VAL 58 HA VAL 58 0.343 -2.430 0.839 463 HB VAL 58 HB VAL 58 -0.401 -0.549 3.083 464 1HG1 VAL 58 3HG1 VAL 58 2.050 -0.529 2.697 465 2HG1 VAL 58 1HG1 VAL 58 1.755 -0.161 0.981 466 3HG1 VAL 58 2HG1 VAL 58 1.267 1.002 2.237 467 1HG2 VAL 58 1HG2 VAL 58 -0.838 -0.588 0.101 468 2HG2 VAL 58 2HG2 VAL 58 -2.006 -0.291 1.412 469 3HG2 VAL 58 3HG2 VAL 58 -0.801 0.951 0.994 470 H VAL 59 H VAL 59 1.798 -4.086 1.200 471 HA VAL 59 HA VAL 59 2.709 -4.572 3.898 472 HB VAL 59 HB VAL 59 3.750 -6.479 3.014 473 1HG1 VAL 59 3HG1 VAL 59 1.044 -5.984 2.570 474 2HG1 VAL 59 1HG1 VAL 59 1.613 -6.685 1.037 475 3HG1 VAL 59 2HG1 VAL 59 1.849 -7.572 2.562 476 1HG2 VAL 59 1HG2 VAL 59 3.785 -4.931 0.463 477 2HG2 VAL 59 2HG2 VAL 59 5.032 -5.967 1.196 478 3HG2 VAL 59 3HG2 VAL 59 3.651 -6.703 0.349 479 H GLU 60 H GLU 60 5.226 -4.865 4.131 480 HA GLU 60 HA GLU 60 6.309 -2.321 3.342 481 1HB GLU 60 1HB GLU 60 6.509 -3.910 5.640 482 2HB GLU 60 2HB GLU 60 8.076 -4.108 4.882 483 1HG GLU 60 1HG GLU 60 7.830 -1.421 4.588 484 2HG GLU 60 2HG GLU 60 6.802 -1.622 5.994 485 H ASP 61 H ASP 61 6.576 -2.737 1.039 486 HA ASP 61 HA ASP 61 7.702 -3.289 -0.727 487 1HB ASP 61 1HB ASP 61 9.752 -2.508 0.089 488 2HB ASP 61 2HB ASP 61 9.774 -3.641 1.426 489 H ASP 62 H ASP 62 9.369 -5.720 1.378 490 HA ASP 62 HA ASP 62 7.710 -7.794 0.230 491 1HB ASP 62 1HB ASP 62 10.014 -7.366 -1.013 492 2HB ASP 62 2HB ASP 62 10.717 -8.167 0.377 493 H LYS 63 H LYS 63 8.108 -6.405 2.909 494 HA LYS 63 HA LYS 63 9.491 -8.363 4.516 495 1HB LYS 63 1HB LYS 63 9.489 -5.807 4.842 496 2HB LYS 63 2HB LYS 63 7.881 -6.007 5.509 497 1HG LYS 63 1HG LYS 63 8.775 -6.640 7.492 498 2HG LYS 63 2HG LYS 63 9.526 -8.022 6.719 499 1HD LYS 63 1HD LYS 63 10.846 -5.330 6.381 500 2HD LYS 63 2HD LYS 63 10.984 -6.117 7.940 501 1HE LYS 63 1HE LYS 63 11.486 -7.975 5.696 502 2HE LYS 63 2HE LYS 63 12.593 -6.616 5.697 503 1HZ LYS 63 1HZ LYS 63 12.691 -7.203 8.221 504 2HZ LYS 63 2HZ LYS 63 12.253 -8.685 7.690 505 3HZ LYS 63 3HZ LYS 63 13.623 -7.992 7.135 506 H VAL 64 H VAL 64 6.115 -7.022 4.321 507 HA VAL 64 HA VAL 64 5.191 -9.392 5.734 508 HB VAL 64 HB VAL 64 3.960 -6.748 4.973 509 1HG1 VAL 64 1HG1 VAL 64 2.627 -9.307 5.615 510 2HG1 VAL 64 2HG1 VAL 64 2.083 -7.915 6.582 511 3HG1 VAL 64 3HG1 VAL 64 1.998 -7.852 4.805 512 1HG2 VAL 64 2HG2 VAL 64 5.432 -6.741 6.930 513 2HG2 VAL 64 3HG2 VAL 64 3.738 -6.482 7.412 514 3HG2 VAL 64 1HG2 VAL 64 4.499 -8.073 7.654 515 H GLY 65 H GLY 65 5.024 -11.155 4.416 516 1HA GLY 65 1HA GLY 65 4.192 -10.813 1.650 517 2HA GLY 65 2HA GLY 65 4.739 -12.283 2.433 518 H THR 66 H THR 66 2.427 -12.173 0.746 519 HA THR 66 HA THR 66 0.071 -11.927 2.331 520 HB THR 66 HB THR 66 0.875 -12.665 -0.460 521 HG1 THR 66 1HG THR 66 -1.278 -11.258 0.957 522 1HG2 THR 66 2HG2 THR 66 -0.659 -14.589 0.332 523 2HG2 THR 66 3HG2 THR 66 -1.902 -13.347 0.618 524 3HG2 THR 66 1HG2 THR 66 -1.281 -13.621 -1.027 525 H ASP 67 H ASP 67 2.569 -14.211 2.338 526 HA ASP 67 HA ASP 67 1.272 -16.594 2.440 527 1HB ASP 67 1HB ASP 67 3.171 -17.034 4.304 528 2HB ASP 67 2HB ASP 67 3.553 -16.895 2.600 529 H MET 68 H MET 68 2.308 -14.557 5.293 530 HA MET 68 HA MET 68 0.865 -15.994 7.151 531 1HB MET 68 1HB MET 68 2.720 -14.008 7.248 532 2HB MET 68 2HB MET 68 1.296 -13.015 7.496 533 1HG MET 68 1HG MET 68 0.863 -15.184 9.226 534 2HG MET 68 2HG MET 68 2.593 -14.922 9.344 535 1HE MET 68 2HE MET 68 -0.845 -13.763 9.617 536 2HE MET 68 3HE MET 68 -0.839 -12.397 10.758 537 3HE MET 68 1HE MET 68 -0.553 -12.111 9.025 538 H LEU 69 H LEU 69 0.067 -12.812 5.576 539 HA LEU 69 HA LEU 69 -2.364 -12.405 6.764 540 1HB LEU 69 1HB LEU 69 -1.269 -11.675 4.060 541 2HB LEU 69 2HB LEU 69 -2.879 -11.193 4.556 542 HG LEU 69 HG LEU 69 -0.354 -10.501 6.081 543 1HD1 LEU 69 3HD1 LEU 69 -1.226 -9.457 3.613 544 2HD1 LEU 69 1HD1 LEU 69 -1.633 -8.238 4.844 545 3HD1 LEU 69 2HD1 LEU 69 0.041 -8.822 4.688 546 1HD2 LEU 69 1HD2 LEU 69 -3.224 -10.134 6.598 547 2HD2 LEU 69 2HD2 LEU 69 -1.836 -10.102 7.712 548 3HD2 LEU 69 3HD2 LEU 69 -2.251 -8.653 6.764 549 H GLU 70 H GLU 70 -1.519 -14.474 3.945 550 HA GLU 70 HA GLU 70 -4.150 -15.057 3.265 551 1HB GLU 70 1HB GLU 70 -2.329 -15.459 1.703 552 2HB GLU 70 2HB GLU 70 -1.544 -16.567 2.811 553 1HG GLU 70 1HG GLU 70 -3.778 -17.945 2.681 554 2HG GLU 70 2HG GLU 70 -4.125 -16.979 1.260 555 H GLU 71 H GLU 71 -1.720 -16.878 5.261 556 HA GLU 71 HA GLU 71 -3.412 -18.974 5.866 557 1HB GLU 71 1HB GLU 71 -0.805 -17.955 6.752 558 2HB GLU 71 2HB GLU 71 -1.690 -18.686 8.077 559 1HG GLU 71 1HG GLU 71 -2.137 -20.496 6.003 560 2HG GLU 71 2HG GLU 71 -0.502 -19.957 5.673 561 H GLN 72 H GLN 72 -3.574 -15.677 6.800 562 HA GLN 72 HA GLN 72 -4.971 -16.340 9.254 563 1HB GLN 72 1HB GLN 72 -3.197 -14.575 9.310 564 2HB GLN 72 2HB GLN 72 -4.113 -13.626 8.156 565 1HG GLN 72 1HG GLN 72 -5.190 -12.688 9.920 566 2HG GLN 72 2HG GLN 72 -6.002 -14.223 10.151 567 1HE2 GLN 72 2HE2 GLN 72 -4.404 -15.093 13.100 568 2HE2 GLN 72 1HE2 GLN 72 -5.584 -15.434 11.880 569 H ILE 73 H ILE 73 -5.361 -14.646 6.090 570 HA ILE 73 HA ILE 73 -8.086 -13.987 6.606 571 HB ILE 73 HB ILE 73 -6.491 -13.993 4.040 572 1HG1 ILE 73 1HG1 ILE 73 -7.121 -11.495 5.545 573 2HG1 ILE 73 2HG1 ILE 73 -5.860 -12.526 6.192 574 1HG2 ILE 73 1HG2 ILE 73 -9.283 -13.240 4.700 575 2HG2 ILE 73 2HG2 ILE 73 -8.369 -12.096 3.687 576 3HG2 ILE 73 3HG2 ILE 73 -8.563 -13.787 3.165 577 1HD1 ILE 73 3HD1 ILE 73 -4.747 -12.532 3.929 578 2HD1 ILE 73 1HD1 ILE 73 -5.983 -11.384 3.364 579 3HD1 ILE 73 2HD1 ILE 73 -4.854 -10.911 4.656 580 H THR 74 H THR 74 -6.401 -16.397 4.472 581 HA THR 74 HA THR 74 -8.881 -17.678 3.831 582 HB THR 74 HB THR 74 -7.491 -19.006 2.406 583 HG1 THR 74 1HG THR 74 -6.059 -19.717 4.133 584 1HG2 THR 74 1HG2 THR 74 -7.155 -16.322 2.220 585 2HG2 THR 74 2HG2 THR 74 -5.501 -16.762 2.711 586 3HG2 THR 74 3HG2 THR 74 -6.203 -17.452 1.228 587 H ALA 75 H ALA 75 -7.174 -17.541 6.680 588 HA ALA 75 HA ALA 75 -7.017 -20.223 7.439 589 1HB ALA 75 3HB ALA 75 -6.500 -17.672 8.532 590 2HB ALA 75 1HB ALA 75 -7.663 -18.440 9.639 591 3HB ALA 75 2HB ALA 75 -6.125 -19.253 9.260 592 H PHE 76 H PHE 76 -9.731 -18.185 6.778 593 HA PHE 76 HA PHE 76 -11.473 -19.799 8.473 594 1HB PHE 76 1HB PHE 76 -11.386 -17.088 7.242 595 2HB PHE 76 2HB PHE 76 -12.938 -17.863 6.997 596 HD1 PHE 76 1HD PHE 76 -13.430 -19.309 9.445 597 HD2 PHE 76 2HD PHE 76 -11.610 -15.512 8.911 598 HE1 PHE 76 1HE PHE 76 -14.127 -18.648 11.763 599 HE2 PHE 76 2HE PHE 76 -12.307 -14.852 11.230 600 HZ PHE 76 HZ PHE 76 -13.558 -16.428 12.629 601 H GLU 77 H GLU 77 -11.521 -21.786 7.308 602 HA GLU 77 HA GLU 77 -12.119 -21.715 4.527 603 1HB GLU 77 1HB GLU 77 -10.995 -23.576 6.314 604 2HB GLU 77 2HB GLU 77 -12.521 -24.305 5.853 605 1HG GLU 77 1HG GLU 77 -11.201 -23.136 3.516 606 2HG GLU 77 2HG GLU 77 -10.121 -24.247 4.335 607 H ASP 78 H ASP 78 -13.940 -21.264 7.344 608 HA ASP 78 HA ASP 78 -16.261 -22.636 6.351 609 1HB ASP 78 1HB ASP 78 -15.437 -22.261 8.863 610 2HB ASP 78 2HB ASP 78 -16.268 -20.727 8.700 611 H TYR 79 H TYR 79 -14.782 -20.063 5.205 612 HA TYR 79 HA TYR 79 -17.243 -18.632 4.639 613 1HB TYR 79 1HB TYR 79 -14.694 -17.568 5.990 614 2HB TYR 79 2HB TYR 79 -15.785 -16.483 5.152 615 HD1 TYR 79 2HD TYR 79 -15.336 -18.610 8.114 616 HD2 TYR 79 1HD TYR 79 -17.993 -15.953 6.069 617 HE1 TYR 79 2HE TYR 79 -16.748 -18.394 10.217 618 HE2 TYR 79 1HE TYR 79 -19.397 -15.746 8.179 619 HH TYR 79 HH TYR 79 -18.388 -17.340 11.179 620 H VAL 80 H VAL 80 -13.668 -18.937 4.197 621 HA VAL 80 HA VAL 80 -13.850 -17.688 1.602 622 HB VAL 80 HB VAL 80 -11.628 -18.843 3.279 623 1HG1 VAL 80 2HG1 VAL 80 -11.640 -18.144 0.372 624 2HG1 VAL 80 3HG1 VAL 80 -10.223 -17.670 1.341 625 3HG1 VAL 80 1HG1 VAL 80 -10.708 -19.380 1.251 626 1HG2 VAL 80 2HG2 VAL 80 -12.437 -16.060 2.410 627 2HG2 VAL 80 3HG2 VAL 80 -12.256 -16.702 4.060 628 3HG2 VAL 80 1HG2 VAL 80 -10.817 -16.426 3.048 629 H GLN 81 H GLN 81 -14.208 -18.742 -0.287 630 HA GLN 81 HA GLN 81 -14.482 -21.587 -0.145 631 1HB GLN 81 1HB GLN 81 -16.159 -20.180 -1.328 632 2HB GLN 81 2HB GLN 81 -14.928 -19.644 -2.455 633 1HG GLN 81 1HG GLN 81 -14.563 -22.251 -2.856 634 2HG GLN 81 2HG GLN 81 -16.174 -22.391 -2.178 635 1HE2 GLN 81 2HE2 GLN 81 -17.538 -21.931 -5.326 636 2HE2 GLN 81 1HE2 GLN 81 -17.362 -22.887 -3.893 637 H SER 82 H SER 82 -12.340 -19.131 -1.648 638 HA SER 82 HA SER 82 -10.194 -20.845 -1.732 639 1HB SER 82 1HB SER 82 -11.832 -20.743 -4.271 640 2HB SER 82 2HB SER 82 -10.088 -20.863 -4.392 641 HG SER 82 HG SER 82 -11.926 -22.710 -3.158 642 H MET 83 H MET 83 -8.654 -19.296 -1.354 643 HA MET 83 HA MET 83 -9.086 -16.663 -2.397 644 1HB MET 83 1HB MET 83 -8.270 -16.806 -0.118 645 2HB MET 83 2HB MET 83 -7.044 -17.982 -0.545 646 1HG MET 83 1HG MET 83 -6.953 -15.253 -1.851 647 2HG MET 83 2HG MET 83 -6.403 -15.411 -0.195 648 1HE MET 83 2HE MET 83 -4.373 -15.128 0.034 649 2HE MET 83 3HE MET 83 -3.019 -16.163 -0.478 650 3HE MET 83 1HE MET 83 -3.518 -14.786 -1.490 651 H ASP 84 H ASP 84 -7.487 -15.472 -3.683 652 HA ASP 84 HA ASP 84 -5.518 -17.149 -4.974 653 1HB ASP 84 1HB ASP 84 -7.840 -15.740 -6.301 654 2HB ASP 84 2HB ASP 84 -6.316 -15.809 -7.163 655 H VAL 85 H VAL 85 -4.491 -15.348 -6.825 656 HA VAL 85 HA VAL 85 -3.893 -12.997 -5.167 657 HB VAL 85 HB VAL 85 -2.211 -14.371 -7.273 658 1HG1 VAL 85 1HG1 VAL 85 -2.068 -11.742 -6.154 659 2HG1 VAL 85 2HG1 VAL 85 -0.691 -12.687 -5.540 660 3HG1 VAL 85 3HG1 VAL 85 -0.952 -12.532 -7.294 661 1HG2 VAL 85 2HG2 VAL 85 -2.537 -14.820 -4.383 662 2HG2 VAL 85 3HG2 VAL 85 -1.820 -15.863 -5.635 663 3HG2 VAL 85 1HG2 VAL 85 -0.849 -14.570 -4.890 664 H ALA 86 H ALA 86 -4.077 -10.942 -6.065 665 HA ALA 86 HA ALA 86 -5.464 -10.893 -8.638 666 1HB ALA 86 3HB ALA 86 -6.072 -9.741 -6.227 667 2HB ALA 86 1HB ALA 86 -5.198 -8.415 -7.030 668 3HB ALA 86 2HB ALA 86 -6.634 -9.131 -7.802 669 H ALA 87 H ALA 87 -2.465 -10.030 -6.980 670 HA ALA 87 HA ALA 87 -0.946 -9.756 -9.195 671 1HB ALA 87 1HB ALA 87 -2.496 -7.250 -8.592 672 2HB ALA 87 2HB ALA 87 -0.816 -7.106 -9.162 673 3HB ALA 87 3HB ALA 87 -2.026 -7.946 -10.161 674 H PHE 88 H PHE 88 1.148 -8.417 -8.693 675 HA PHE 88 HA PHE 88 1.526 -7.921 -5.880 676 1HB PHE 88 1HB PHE 88 2.069 -10.467 -7.097 677 2HB PHE 88 2HB PHE 88 3.633 -9.691 -6.954 678 HD1 PHE 88 2HD PHE 88 4.558 -9.152 -4.750 679 HD2 PHE 88 1HD PHE 88 0.838 -11.159 -5.134 680 HE1 PHE 88 2HE PHE 88 4.672 -9.826 -2.334 681 HE2 PHE 88 1HE PHE 88 0.952 -11.831 -2.719 682 HZ PHE 88 HZ PHE 88 2.868 -11.158 -1.348 683 H ASN 89 H ASN 89 2.281 -5.844 -6.177 684 HA ASN 89 HA ASN 89 4.820 -5.651 -7.487 685 1HB ASN 89 1HB ASN 89 2.309 -4.257 -8.477 686 2HB ASN 89 2HB ASN 89 3.849 -3.439 -8.636 687 1HD2 ASN 89 2HD2 ASN 89 4.837 -5.142 -11.467 688 2HD2 ASN 89 1HD2 ASN 89 4.960 -3.785 -10.397 689 H LYS 90 H LYS 90 5.568 -3.152 -7.207 690 HA LYS 90 HA LYS 90 5.213 -2.556 -4.444 691 1HB LYS 90 1HB LYS 90 6.683 -0.532 -5.182 692 2HB LYS 90 2HB LYS 90 7.368 -2.144 -5.140 693 1HG LYS 90 1HG LYS 90 6.052 -1.453 -7.719 694 2HG LYS 90 2HG LYS 90 7.436 -0.450 -7.333 695 1HD LYS 90 1HD LYS 90 8.864 -2.126 -7.872 696 2HD LYS 90 2HD LYS 90 8.104 -3.199 -6.714 697 1HE LYS 90 1HE LYS 90 6.771 -4.219 -8.310 698 2HE LYS 90 2HE LYS 90 6.563 -2.748 -9.238 699 1HZ LYS 90 2HZ LYS 90 9.028 -4.346 -9.154 700 2HZ LYS 90 3HZ LYS 90 7.944 -4.343 -10.375 701 3HZ LYS 90 1HZ LYS 90 8.804 -2.995 -10.043 702 H ILE 91 H ILE 91 4.224 -0.810 -3.508 703 HA ILE 91 HA ILE 91 1.957 0.270 -5.025 704 HB ILE 91 HB ILE 91 1.603 -0.586 -2.754 705 1HG1 ILE 91 1HG1 ILE 91 1.153 2.070 -1.880 706 2HG1 ILE 91 2HG1 ILE 91 1.013 2.115 -3.653 707 1HG2 ILE 91 1HG2 ILE 91 4.092 0.716 -2.274 708 2HG2 ILE 91 2HG2 ILE 91 2.880 1.533 -1.257 709 3HG2 ILE 91 3HG2 ILE 91 3.115 -0.226 -1.122 710 1HD1 ILE 91 1HD1 ILE 91 -0.416 -0.070 -3.327 711 2HD1 ILE 91 2HD1 ILE 91 -0.586 0.512 -1.654 712 3HD1 ILE 91 3HD1 ILE 91 -1.160 1.515 -3.007 No H/Q in entry = 712 Start of MODEL 8 1 1H MET 1 3HN MET 1 10.301 2.303 11.505 2 2H MET 1 H MET 1 10.843 2.795 12.991 3 3H MET 1 2HN MET 1 9.685 3.674 12.198 4 HA MET 1 HA MET 1 11.173 4.900 11.263 5 1HB MET 1 1HB MET 1 12.728 3.174 13.096 6 2HB MET 1 2HB MET 1 13.678 3.903 11.780 7 1HG MET 1 1HG MET 1 13.647 5.878 12.826 8 2HG MET 1 2HG MET 1 11.876 5.890 12.769 9 1HE MET 1 3HE MET 1 10.422 5.669 14.275 10 2HE MET 1 1HE MET 1 10.545 5.200 15.987 11 3HE MET 1 2HE MET 1 11.040 6.831 15.472 12 H LEU 2 H LEU 2 10.112 2.336 9.911 13 HA LEU 2 HA LEU 2 12.358 1.918 8.077 14 1HB LEU 2 1HB LEU 2 9.840 0.299 8.487 15 2HB LEU 2 2HB LEU 2 11.123 -0.071 7.352 16 HG LEU 2 HG LEU 2 11.778 0.193 10.271 17 1HD1 LEU 2 1HD1 LEU 2 9.759 -1.282 10.063 18 2HD1 LEU 2 2HD1 LEU 2 10.733 -2.371 9.047 19 3HD1 LEU 2 3HD1 LEU 2 11.202 -2.075 10.739 20 1HD2 LEU 2 2HD2 LEU 2 13.231 -0.422 7.960 21 2HD2 LEU 2 3HD2 LEU 2 13.763 -0.584 9.651 22 3HD2 LEU 2 1HD2 LEU 2 13.029 -1.972 8.812 23 H VAL 3 H VAL 3 11.528 1.514 5.700 24 HA VAL 3 HA VAL 3 9.244 3.136 5.020 25 HB VAL 3 HB VAL 3 11.289 4.654 5.364 26 1HG1 VAL 3 1HG1 VAL 3 12.816 3.048 4.099 27 2HG1 VAL 3 2HG1 VAL 3 12.048 3.651 2.611 28 3HG1 VAL 3 3HG1 VAL 3 12.939 4.771 3.669 29 1HG2 VAL 3 3HG2 VAL 3 9.067 4.954 3.918 30 2HG2 VAL 3 1HG2 VAL 3 10.367 6.170 3.920 31 3HG2 VAL 3 2HG2 VAL 3 10.245 4.997 2.586 32 H ALA 4 H ALA 4 9.224 3.236 2.411 33 HA ALA 4 HA ALA 4 9.315 2.150 0.463 34 1HB ALA 4 2HB ALA 4 11.695 1.476 1.352 35 2HB ALA 4 3HB ALA 4 10.937 -0.109 1.633 36 3HB ALA 4 1HB ALA 4 10.978 0.580 -0.008 37 H LYS 5 H LYS 5 7.061 1.804 0.625 38 HA LYS 5 HA LYS 5 6.315 -0.800 1.758 39 1HB LYS 5 1HB LYS 5 4.737 1.762 1.411 40 2HB LYS 5 2HB LYS 5 3.993 0.225 1.804 41 1HG LYS 5 1HG LYS 5 6.306 1.327 3.447 42 2HG LYS 5 2HG LYS 5 4.651 1.798 3.776 43 1HD LYS 5 1HD LYS 5 4.649 -1.057 3.509 44 2HD LYS 5 2HD LYS 5 6.023 -0.653 4.519 45 1HE LYS 5 1HE LYS 5 4.060 1.017 5.558 46 2HE LYS 5 2HE LYS 5 3.116 -0.382 5.087 47 1HZ LYS 5 3HZ LYS 5 5.599 -0.709 6.591 48 2HZ LYS 5 1HZ LYS 5 4.197 -0.375 7.359 49 3HZ LYS 5 2HZ LYS 5 4.338 -1.740 6.471 50 H SER 6 H SER 6 4.276 -1.736 0.557 51 HA SER 6 HA SER 6 4.460 -1.169 -2.272 52 1HB SER 6 1HB SER 6 6.011 -2.986 -2.121 53 2HB SER 6 2HB SER 6 5.013 -3.859 -0.976 54 HG SER 6 HG SER 6 5.061 -4.347 -3.508 55 H SER 7 H SER 7 2.639 -2.509 -3.472 56 HA SER 7 HA SER 7 0.345 -2.559 -1.670 57 1HB SER 7 1HB SER 7 -0.396 -0.936 -3.091 58 2HB SER 7 2HB SER 7 0.781 -1.340 -4.324 59 HG SER 7 HG SER 7 -1.780 -1.817 -4.484 60 H ILE 8 H ILE 8 -1.270 -4.251 -2.034 61 HA ILE 8 HA ILE 8 -0.662 -6.280 -3.984 62 HB ILE 8 HB ILE 8 -0.261 -6.714 -1.039 63 1HG1 ILE 8 1HG1 ILE 8 1.660 -8.129 -2.285 64 2HG1 ILE 8 2HG1 ILE 8 1.378 -6.917 -3.519 65 1HG2 ILE 8 1HG2 ILE 8 -1.046 -8.755 -3.122 66 2HG2 ILE 8 2HG2 ILE 8 -0.184 -9.183 -1.623 67 3HG2 ILE 8 3HG2 ILE 8 -1.796 -8.433 -1.540 68 1HD1 ILE 8 1HD1 ILE 8 1.407 -5.451 -1.105 69 2HD1 ILE 8 2HD1 ILE 8 2.720 -6.641 -0.936 70 3HD1 ILE 8 3HD1 ILE 8 2.705 -5.523 -2.321 71 H LEU 9 H LEU 9 -2.585 -6.799 -4.863 72 HA LEU 9 HA LEU 9 -4.955 -6.348 -3.203 73 1HB LEU 9 1HB LEU 9 -4.658 -5.111 -5.362 74 2HB LEU 9 2HB LEU 9 -4.762 -6.646 -6.202 75 HG LEU 9 HG LEU 9 -7.047 -6.834 -4.840 76 1HD1 LEU 9 2HD1 LEU 9 -6.304 -3.957 -4.686 77 2HD1 LEU 9 3HD1 LEU 9 -7.993 -4.347 -5.090 78 3HD1 LEU 9 1HD1 LEU 9 -7.275 -4.960 -3.582 79 1HD2 LEU 9 2HD2 LEU 9 -6.592 -5.280 -7.397 80 2HD2 LEU 9 3HD2 LEU 9 -6.945 -7.016 -7.220 81 3HD2 LEU 9 1HD2 LEU 9 -8.190 -5.809 -6.819 82 H LEU 10 H LEU 10 -6.556 -7.968 -2.968 83 HA LEU 10 HA LEU 10 -5.757 -10.611 -3.953 84 1HB LEU 10 1HB LEU 10 -6.075 -9.684 -1.180 85 2HB LEU 10 2HB LEU 10 -6.948 -11.157 -1.555 86 HG LEU 10 HG LEU 10 -4.877 -12.231 -2.305 87 1HD1 LEU 10 3HD1 LEU 10 -3.827 -9.482 -2.088 88 2HD1 LEU 10 1HD1 LEU 10 -2.760 -10.757 -1.453 89 3HD1 LEU 10 2HD1 LEU 10 -3.330 -10.831 -3.138 90 1HD2 LEU 10 3HD2 LEU 10 -5.646 -11.737 0.281 91 2HD2 LEU 10 1HD2 LEU 10 -4.381 -12.883 -0.225 92 3HD2 LEU 10 2HD2 LEU 10 -3.936 -11.239 0.291 93 H ASP 11 H ASP 11 -7.572 -12.130 -4.179 94 HA ASP 11 HA ASP 11 -10.134 -10.758 -4.227 95 1HB ASP 11 1HB ASP 11 -8.602 -11.696 -6.501 96 2HB ASP 11 2HB ASP 11 -10.041 -12.687 -6.364 97 H VAL 12 H VAL 12 -10.729 -11.982 -2.303 98 HA VAL 12 HA VAL 12 -10.505 -14.870 -2.440 99 HB VAL 12 HB VAL 12 -11.619 -13.093 -0.264 100 1HG1 VAL 12 1HG1 VAL 12 -11.263 -15.995 -0.580 101 2HG1 VAL 12 2HG1 VAL 12 -10.566 -15.343 0.923 102 3HG1 VAL 12 3HG1 VAL 12 -12.286 -15.079 0.551 103 1HG2 VAL 12 3HG2 VAL 12 -9.145 -12.742 -1.034 104 2HG2 VAL 12 1HG2 VAL 12 -9.514 -12.901 0.700 105 3HG2 VAL 12 2HG2 VAL 12 -8.857 -14.288 -0.202 106 H LYS 13 H LYS 13 -12.307 -16.302 -2.394 107 HA LYS 13 HA LYS 13 -14.808 -14.999 -3.223 108 1HB LYS 13 1HB LYS 13 -13.276 -16.719 -4.709 109 2HB LYS 13 2HB LYS 13 -14.399 -17.831 -3.953 110 1HG LYS 13 1HG LYS 13 -16.025 -17.185 -5.388 111 2HG LYS 13 2HG LYS 13 -15.926 -15.544 -4.779 112 1HD LYS 13 1HD LYS 13 -14.159 -14.985 -6.386 113 2HD LYS 13 2HD LYS 13 -14.034 -16.655 -6.902 114 1HE LYS 13 1HE LYS 13 -16.284 -16.604 -7.863 115 2HE LYS 13 2HE LYS 13 -16.603 -15.027 -7.168 116 1HZ LYS 13 3HZ LYS 13 -14.297 -14.753 -8.609 117 2HZ LYS 13 1HZ LYS 13 -15.276 -15.651 -9.558 118 3HZ LYS 13 2HZ LYS 13 -15.777 -14.195 -9.016 119 HA PRO 14 HA PRO 14 -16.388 -16.759 0.415 120 1HB PRO 14 1HB PRO 14 -19.000 -16.022 0.108 121 2HB PRO 14 2HB PRO 14 -17.776 -14.955 0.765 122 1HG PRO 14 1HG PRO 14 -19.024 -14.916 -1.915 123 2HG PRO 14 2HG PRO 14 -18.138 -13.644 -1.097 124 1HD PRO 14 1HD PRO 14 -17.169 -15.325 -3.210 125 2HD PRO 14 2HD PRO 14 -16.249 -14.133 -2.314 126 H TRP 15 H TRP 15 -17.924 -18.377 1.260 127 HA TRP 15 HA TRP 15 -17.899 -20.578 -0.521 128 1HB TRP 15 1HB TRP 15 -18.540 -20.047 2.277 129 2HB TRP 15 2HB TRP 15 -19.619 -21.221 1.551 130 HD1 TRP 15 HD TRP 15 -16.837 -21.522 3.620 131 HE1 TRP 15 1HE TRP 15 -15.214 -23.552 3.172 132 HE3 TRP 15 3HE TRP 15 -18.433 -22.427 -1.121 133 HZ2 TRP 15 2HZ TRP 15 -14.788 -25.272 0.933 134 HZ3 TRP 15 3HZ TRP 15 -17.362 -24.301 -2.369 135 HH2 TRP 15 HH TRP 15 -15.599 -25.699 -1.416 136 H ASP 16 H ASP 16 -20.257 -18.082 0.494 137 HA ASP 16 HA ASP 16 -21.750 -18.345 -1.790 138 1HB ASP 16 1HB ASP 16 -22.427 -20.294 0.263 139 2HB ASP 16 2HB ASP 16 -23.769 -19.185 0.064 140 H ASP 17 H ASP 17 -24.210 -17.343 -1.140 141 HA ASP 17 HA ASP 17 -23.721 -14.811 -0.291 142 1HB ASP 17 1HB ASP 17 -25.751 -15.091 -1.427 143 2HB ASP 17 2HB ASP 17 -26.173 -16.540 -0.536 144 H GLU 18 H GLU 18 -24.143 -17.780 1.529 145 HA GLU 18 HA GLU 18 -25.179 -16.729 3.881 146 1HB GLU 18 1HB GLU 18 -24.467 -18.835 4.902 147 2HB GLU 18 2HB GLU 18 -25.122 -19.154 3.309 148 1HG GLU 18 1HG GLU 18 -22.678 -19.014 2.442 149 2HG GLU 18 2HG GLU 18 -22.188 -19.071 4.124 150 H THR 19 H THR 19 -21.898 -16.842 2.509 151 HA THR 19 HA THR 19 -20.551 -16.238 4.940 152 HB THR 19 HB THR 19 -19.882 -16.201 1.966 153 HG1 THR 19 1HG THR 19 -19.245 -17.657 4.425 154 1HG2 THR 19 1HG2 THR 19 -18.270 -15.208 4.334 155 2HG2 THR 19 2HG2 THR 19 -17.442 -16.121 3.049 156 3HG2 THR 19 3HG2 THR 19 -18.287 -14.602 2.660 157 H ASP 20 H ASP 20 -20.930 -14.453 6.101 158 HA ASP 20 HA ASP 20 -22.069 -12.182 5.046 159 1HB ASP 20 1HB ASP 20 -20.856 -13.051 7.579 160 2HB ASP 20 2HB ASP 20 -20.535 -11.356 7.275 161 H MET 21 H MET 21 -21.159 -10.412 3.948 162 HA MET 21 HA MET 21 -18.359 -10.570 3.377 163 1HB MET 21 1HB MET 21 -20.395 -8.445 2.521 164 2HB MET 21 2HB MET 21 -18.876 -8.810 1.729 165 1HG MET 21 1HG MET 21 -21.232 -10.745 1.963 166 2HG MET 21 2HG MET 21 -20.836 -9.816 0.531 167 1HE MET 21 3HE MET 21 -18.932 -10.061 -0.912 168 2HE MET 21 1HE MET 21 -18.178 -11.646 -1.213 169 3HE MET 21 2HE MET 21 -19.942 -11.456 -1.363 170 H ALA 22 H ALA 22 -20.228 -9.225 5.853 171 HA ALA 22 HA ALA 22 -18.722 -6.776 6.105 172 1HB ALA 22 2HB ALA 22 -20.996 -8.128 7.557 173 2HB ALA 22 3HB ALA 22 -20.110 -6.796 8.338 174 3HB ALA 22 1HB ALA 22 -20.941 -6.523 6.789 175 H LYS 23 H LYS 23 -18.834 -10.084 7.469 176 HA LYS 23 HA LYS 23 -16.878 -9.420 9.477 177 1HB LYS 23 1HB LYS 23 -17.655 -12.235 8.825 178 2HB LYS 23 2HB LYS 23 -17.315 -11.496 10.377 179 1HG LYS 23 1HG LYS 23 -19.583 -10.126 9.228 180 2HG LYS 23 2HG LYS 23 -19.872 -11.849 9.086 181 1HD LYS 23 1HD LYS 23 -19.545 -12.184 11.481 182 2HD LYS 23 2HD LYS 23 -18.961 -10.545 11.689 183 1HE LYS 23 1HE LYS 23 -21.137 -10.118 12.293 184 2HE LYS 23 2HE LYS 23 -21.392 -10.006 10.562 185 1HZ LYS 23 1HZ LYS 23 -21.748 -12.515 10.742 186 2HZ LYS 23 2HZ LYS 23 -21.981 -12.242 12.335 187 3HZ LYS 23 3HZ LYS 23 -22.948 -11.522 11.233 188 H LEU 24 H LEU 24 -17.059 -11.356 6.422 189 HA LEU 24 HA LEU 24 -14.430 -12.229 6.452 190 1HB LEU 24 1HB LEU 24 -16.655 -12.462 4.817 191 2HB LEU 24 2HB LEU 24 -15.486 -11.647 3.797 192 HG LEU 24 HG LEU 24 -15.167 -14.326 5.169 193 1HD1 LEU 24 2HD1 LEU 24 -16.402 -13.747 2.808 194 2HD1 LEU 24 3HD1 LEU 24 -14.738 -14.071 2.265 195 3HD1 LEU 24 1HD1 LEU 24 -15.625 -15.300 3.201 196 1HD2 LEU 24 1HD2 LEU 24 -13.113 -12.712 3.636 197 2HD2 LEU 24 2HD2 LEU 24 -13.041 -13.225 5.339 198 3HD2 LEU 24 3HD2 LEU 24 -12.949 -14.438 4.039 199 H GLU 25 H GLU 25 -15.895 -9.137 5.375 200 HA GLU 25 HA GLU 25 -13.472 -8.233 4.232 201 1HB GLU 25 1HB GLU 25 -15.744 -7.452 3.518 202 2HB GLU 25 2HB GLU 25 -15.949 -6.659 5.067 203 1HG GLU 25 1HG GLU 25 -13.529 -5.609 4.335 204 2HG GLU 25 2HG GLU 25 -14.220 -5.882 2.747 205 H GLU 26 H GLU 26 -15.312 -7.467 7.268 206 HA GLU 26 HA GLU 26 -13.545 -5.626 8.252 207 1HB GLU 26 1HB GLU 26 -15.528 -7.521 9.520 208 2HB GLU 26 2HB GLU 26 -14.486 -6.565 10.554 209 1HG GLU 26 1HG GLU 26 -15.753 -5.021 8.345 210 2HG GLU 26 2HG GLU 26 -16.894 -5.696 9.492 211 H CYS 27 H CYS 27 -13.729 -9.180 9.024 212 HA CYS 27 HA CYS 27 -11.633 -9.383 10.697 213 1HB CYS 27 1HB CYS 27 -13.220 -11.209 9.857 214 2HB CYS 27 2HB CYS 27 -12.123 -11.415 8.507 215 HG CYS 27 HG CYS 27 -10.368 -11.084 11.068 216 H VAL 28 H VAL 28 -11.537 -9.579 7.063 217 HA VAL 28 HA VAL 28 -8.869 -9.930 6.701 218 HB VAL 28 HB VAL 28 -11.129 -8.827 5.201 219 1HG1 VAL 28 1HG1 VAL 28 -9.588 -6.921 4.966 220 2HG1 VAL 28 2HG1 VAL 28 -8.317 -8.021 4.379 221 3HG1 VAL 28 3HG1 VAL 28 -9.801 -7.786 3.426 222 1HG2 VAL 28 3HG2 VAL 28 -9.592 -11.117 5.175 223 2HG2 VAL 28 1HG2 VAL 28 -10.720 -10.609 3.895 224 3HG2 VAL 28 2HG2 VAL 28 -8.988 -10.228 3.756 225 H ARG 29 H ARG 29 -10.636 -6.899 7.495 226 HA ARG 29 HA ARG 29 -8.322 -5.319 7.211 227 1HB ARG 29 1HB ARG 29 -11.158 -4.950 7.986 228 2HB ARG 29 2HB ARG 29 -10.079 -3.900 8.882 229 1HG ARG 29 1HG ARG 29 -9.793 -4.152 5.871 230 2HG ARG 29 2HG ARG 29 -11.022 -3.101 6.548 231 1HD ARG 29 1HD ARG 29 -8.274 -2.821 7.720 232 2HD ARG 29 2HD ARG 29 -8.454 -2.293 6.059 233 HE ARG 29 HE ARG 29 -9.446 -0.919 8.374 234 1HH1 ARG 29 2HH2 ARG 29 -10.391 -1.725 5.082 235 2HH1 ARG 29 1HH2 ARG 29 -11.425 -0.346 4.905 236 1HH2 ARG 29 2HH1 ARG 29 -10.809 0.900 8.142 237 2HH2 ARG 29 1HH1 ARG 29 -11.663 1.157 6.658 238 H SER 30 H SER 30 -10.251 -6.545 10.044 239 HA SER 30 HA SER 30 -8.976 -5.491 12.093 240 1HB SER 30 1HB SER 30 -9.832 -7.229 13.387 241 2HB SER 30 2HB SER 30 -10.795 -7.398 11.934 242 HG SER 30 HG SER 30 -9.317 -9.280 13.053 243 H ILE 31 H ILE 31 -7.793 -8.287 10.126 244 HA ILE 31 HA ILE 31 -5.636 -9.067 11.552 245 HB ILE 31 HB ILE 31 -6.186 -8.858 8.617 246 1HG1 ILE 31 1HG1 ILE 31 -5.566 -11.398 10.056 247 2HG1 ILE 31 2HG1 ILE 31 -7.078 -10.603 10.449 248 1HG2 ILE 31 2HG2 ILE 31 -3.544 -9.162 9.845 249 2HG2 ILE 31 3HG2 ILE 31 -3.981 -10.502 8.758 250 3HG2 ILE 31 1HG2 ILE 31 -4.001 -8.826 8.158 251 1HD1 ILE 31 2HD1 ILE 31 -7.101 -10.414 7.697 252 2HD1 ILE 31 3HD1 ILE 31 -6.250 -11.959 7.938 253 3HD1 ILE 31 1HD1 ILE 31 -7.878 -11.722 8.621 254 H GLN 32 H GLN 32 -3.710 -8.232 12.209 255 HA GLN 32 HA GLN 32 -2.632 -6.003 10.760 256 1HB GLN 32 1HB GLN 32 -4.292 -5.357 12.834 257 2HB GLN 32 2HB GLN 32 -2.780 -5.513 13.706 258 1HG GLN 32 1HG GLN 32 -1.695 -3.933 12.082 259 2HG GLN 32 2HG GLN 32 -3.222 -3.763 11.240 260 1HE2 GLN 32 2HE2 GLN 32 -3.015 -0.851 13.426 261 2HE2 GLN 32 1HE2 GLN 32 -2.262 -1.505 12.010 262 H ALA 33 H ALA 33 -0.369 -5.930 10.903 263 HA ALA 33 HA ALA 33 0.935 -7.407 13.017 264 1HB ALA 33 1HB ALA 33 0.296 -9.010 11.074 265 2HB ALA 33 2HB ALA 33 1.558 -8.159 10.152 266 3HB ALA 33 3HB ALA 33 1.979 -9.021 11.652 267 H ASP 34 H ASP 34 3.411 -7.153 12.752 268 HA ASP 34 HA ASP 34 3.915 -4.442 12.466 269 1HB ASP 34 1HB ASP 34 5.207 -6.583 13.602 270 2HB ASP 34 2HB ASP 34 6.202 -6.351 12.179 271 H GLY 35 H GLY 35 4.903 -3.262 10.730 272 1HA GLY 35 1HA GLY 35 5.630 -2.813 8.649 273 2HA GLY 35 2HA GLY 35 6.187 -4.469 8.526 274 H LEU 36 H LEU 36 2.874 -4.400 9.413 275 HA LEU 36 HA LEU 36 2.129 -4.821 6.603 276 1HB LEU 36 1HB LEU 36 1.953 -6.865 7.761 277 2HB LEU 36 2HB LEU 36 1.201 -6.115 9.154 278 HG LEU 36 HG LEU 36 -0.785 -5.579 7.659 279 1HD1 LEU 36 3HD1 LEU 36 0.804 -6.184 5.583 280 2HD1 LEU 36 1HD1 LEU 36 0.027 -7.767 5.822 281 3HD1 LEU 36 2HD1 LEU 36 -0.970 -6.321 5.529 282 1HD2 LEU 36 2HD2 LEU 36 -0.507 -7.529 9.327 283 2HD2 LEU 36 3HD2 LEU 36 -1.826 -7.607 8.134 284 3HD2 LEU 36 1HD2 LEU 36 -0.337 -8.549 7.878 285 H VAL 37 H VAL 37 0.398 -3.689 5.748 286 HA VAL 37 HA VAL 37 -1.177 -2.072 7.585 287 HB VAL 37 HB VAL 37 0.509 -0.997 5.321 288 1HG1 VAL 37 1HG1 VAL 37 -1.697 0.403 6.870 289 2HG1 VAL 37 2HG1 VAL 37 -0.568 1.187 5.739 290 3HG1 VAL 37 3HG1 VAL 37 -1.725 -0.028 5.143 291 1HG2 VAL 37 2HG2 VAL 37 0.481 -0.640 8.313 292 2HG2 VAL 37 3HG2 VAL 37 1.846 -1.004 7.230 293 3HG2 VAL 37 1HG2 VAL 37 1.137 0.629 7.252 294 H TRP 38 H TRP 38 -3.287 -1.694 6.840 295 HA TRP 38 HA TRP 38 -3.977 -3.268 4.479 296 1HB TRP 38 1HB TRP 38 -5.458 -2.360 6.919 297 2HB TRP 38 2HB TRP 38 -6.347 -2.747 5.459 298 HD1 TRP 38 HD TRP 38 -4.945 -4.412 8.467 299 HE1 TRP 38 1HE TRP 38 -4.985 -7.048 8.318 300 HE3 TRP 38 3HE TRP 38 -5.918 -4.642 3.480 301 HZ2 TRP 38 2HZ TRP 38 -5.409 -8.890 6.181 302 HZ3 TRP 38 3HZ TRP 38 -6.129 -6.898 2.441 303 HH2 TRP 38 HH TRP 38 -5.891 -8.975 3.707 304 H GLY 39 H GLY 39 -6.235 -2.085 3.537 305 1HA GLY 39 1HA GLY 39 -5.752 0.782 3.233 306 2HA GLY 39 2HA GLY 39 -5.608 -0.211 1.796 307 H SER 40 H SER 40 -7.431 0.285 0.608 308 HA SER 40 HA SER 40 -9.954 0.147 2.057 309 1HB SER 40 1HB SER 40 -9.418 1.392 -0.675 310 2HB SER 40 2HB SER 40 -10.904 1.507 0.247 311 HG SER 40 HG SER 40 -8.583 3.006 0.458 312 H SER 41 H SER 41 -11.392 -1.497 1.566 313 HA SER 41 HA SER 41 -10.502 -3.389 -0.399 314 1HB SER 41 1HB SER 41 -12.250 -4.849 0.539 315 2HB SER 41 2HB SER 41 -11.261 -4.176 1.819 316 HG SER 41 HG SER 41 -13.807 -4.131 1.884 317 H LYS 42 H LYS 42 -12.225 -4.384 -1.916 318 HA LYS 42 HA LYS 42 -14.167 -2.346 -2.732 319 1HB LYS 42 1HB LYS 42 -12.661 -3.931 -4.793 320 2HB LYS 42 2HB LYS 42 -13.528 -2.418 -4.968 321 1HG LYS 42 1HG LYS 42 -11.784 -1.336 -3.446 322 2HG LYS 42 2HG LYS 42 -10.881 -2.836 -3.505 323 1HD LYS 42 1HD LYS 42 -9.967 -1.348 -5.198 324 2HD LYS 42 2HD LYS 42 -10.800 -2.652 -6.021 325 1HE LYS 42 1HE LYS 42 -12.043 -1.104 -7.119 326 2HE LYS 42 2HE LYS 42 -12.793 -0.676 -5.595 327 1HZ LYS 42 1HZ LYS 42 -10.240 0.455 -6.500 328 2HZ LYS 42 2HZ LYS 42 -11.685 1.173 -6.751 329 3HZ LYS 42 3HZ LYS 42 -11.138 0.948 -5.228 330 H LEU 43 H LEU 43 -16.006 -3.243 -3.968 331 HA LEU 43 HA LEU 43 -16.363 -6.103 -3.400 332 1HB LEU 43 1HB LEU 43 -17.994 -3.770 -2.640 333 2HB LEU 43 2HB LEU 43 -18.894 -5.099 -3.342 334 HG LEU 43 HG LEU 43 -18.885 -5.273 -0.931 335 1HD1 LEU 43 2HD1 LEU 43 -17.851 -7.322 -2.692 336 2HD1 LEU 43 3HD1 LEU 43 -17.228 -7.532 -1.037 337 3HD1 LEU 43 1HD1 LEU 43 -18.983 -7.456 -1.325 338 1HD2 LEU 43 1HD2 LEU 43 -16.298 -4.262 -1.081 339 2HD2 LEU 43 2HD2 LEU 43 -17.148 -4.813 0.382 340 3HD2 LEU 43 3HD2 LEU 43 -16.084 -5.931 -0.504 341 H VAL 44 H VAL 44 -17.749 -7.256 -4.919 342 HA VAL 44 HA VAL 44 -18.489 -5.854 -7.326 343 HB VAL 44 HB VAL 44 -16.344 -7.986 -7.304 344 1HG1 VAL 44 3HG1 VAL 44 -18.311 -7.338 -9.321 345 2HG1 VAL 44 1HG1 VAL 44 -16.675 -6.957 -9.910 346 3HG1 VAL 44 2HG1 VAL 44 -17.052 -8.597 -9.330 347 1HG2 VAL 44 3HG2 VAL 44 -16.358 -5.035 -7.953 348 2HG2 VAL 44 1HG2 VAL 44 -15.287 -5.939 -6.855 349 3HG2 VAL 44 2HG2 VAL 44 -15.123 -6.131 -8.617 350 HA PRO 45 HA PRO 45 -21.391 -9.054 -6.364 351 1HB PRO 45 1HB PRO 45 -23.586 -7.792 -7.396 352 2HB PRO 45 2HB PRO 45 -23.062 -7.598 -5.736 353 1HG PRO 45 1HG PRO 45 -22.791 -5.713 -7.997 354 2HG PRO 45 2HG PRO 45 -22.672 -5.391 -6.279 355 1HD PRO 45 1HD PRO 45 -20.499 -5.609 -8.139 356 2HD PRO 45 2HD PRO 45 -20.375 -5.402 -6.404 357 H VAL 46 H VAL 46 -21.919 -10.878 -7.439 358 HA VAL 46 HA VAL 46 -22.338 -10.596 -10.289 359 HB VAL 46 HB VAL 46 -19.923 -10.790 -10.110 360 1HG1 VAL 46 1HG1 VAL 46 -19.908 -11.957 -7.889 361 2HG1 VAL 46 2HG1 VAL 46 -20.364 -13.457 -8.730 362 3HG1 VAL 46 3HG1 VAL 46 -18.811 -12.669 -9.097 363 1HG2 VAL 46 1HG2 VAL 46 -21.635 -12.762 -11.431 364 2HG2 VAL 46 2HG2 VAL 46 -20.246 -11.843 -12.062 365 3HG2 VAL 46 3HG2 VAL 46 -19.978 -13.356 -11.164 366 H GLY 47 H GLY 47 -24.218 -11.114 -8.298 367 1HA GLY 47 1HA GLY 47 -25.675 -13.174 -9.104 368 2HA GLY 47 2HA GLY 47 -24.512 -14.008 -8.092 369 H TYR 48 H TYR 48 -27.438 -12.183 -8.163 370 HA TYR 48 HA TYR 48 -27.648 -10.791 -5.905 371 1HB TYR 48 1HB TYR 48 -29.330 -11.893 -7.762 372 2HB TYR 48 2HB TYR 48 -29.662 -13.010 -6.453 373 HD1 TYR 48 1HD TYR 48 -29.645 -9.369 -7.289 374 HD2 TYR 48 2HD TYR 48 -31.205 -12.450 -4.766 375 HE1 TYR 48 1HE TYR 48 -31.311 -7.724 -6.299 376 HE2 TYR 48 2HE TYR 48 -32.867 -10.795 -3.785 377 HH TYR 48 HH TYR 48 -33.961 -8.703 -4.506 378 H GLY 49 H GLY 49 -26.404 -11.338 -4.102 379 1HA GLY 49 1HA GLY 49 -27.038 -12.440 -1.948 380 2HA GLY 49 2HA GLY 49 -27.042 -13.942 -2.851 381 H ILE 50 H ILE 50 -24.800 -13.644 -4.542 382 HA ILE 50 HA ILE 50 -22.685 -13.811 -2.544 383 HB ILE 50 HB ILE 50 -22.953 -14.794 -5.381 384 1HG1 ILE 50 1HG1 ILE 50 -22.251 -16.862 -3.616 385 2HG1 ILE 50 2HG1 ILE 50 -23.449 -15.923 -2.750 386 1HG2 ILE 50 2HG2 ILE 50 -20.662 -13.991 -5.038 387 2HG2 ILE 50 3HG2 ILE 50 -20.527 -14.993 -3.573 388 3HG2 ILE 50 1HG2 ILE 50 -20.726 -15.765 -5.165 389 1HD1 ILE 50 1HD1 ILE 50 -23.850 -16.779 -5.645 390 2HD1 ILE 50 2HD1 ILE 50 -24.363 -17.779 -4.266 391 3HD1 ILE 50 3HD1 ILE 50 -25.075 -16.165 -4.508 392 H LYS 51 H LYS 51 -20.531 -12.855 -3.065 393 HA LYS 51 HA LYS 51 -20.513 -10.742 -5.010 394 1HB LYS 51 1HB LYS 51 -21.212 -10.183 -2.243 395 2HB LYS 51 2HB LYS 51 -19.736 -9.356 -2.699 396 1HG LYS 51 1HG LYS 51 -20.792 -8.209 -4.515 397 2HG LYS 51 2HG LYS 51 -22.157 -9.308 -4.534 398 1HD LYS 51 1HD LYS 51 -21.540 -7.497 -2.158 399 2HD LYS 51 2HD LYS 51 -22.579 -6.999 -3.479 400 1HE LYS 51 1HE LYS 51 -23.382 -9.647 -2.566 401 2HE LYS 51 2HE LYS 51 -23.293 -8.561 -1.193 402 1HZ LYS 51 2HZ LYS 51 -24.688 -7.861 -3.677 403 2HZ LYS 51 3HZ LYS 51 -25.432 -8.566 -2.406 404 3HZ LYS 51 1HZ LYS 51 -24.767 -7.083 -2.243 405 H LYS 52 H LYS 52 -18.298 -9.667 -5.043 406 HA LYS 52 HA LYS 52 -16.345 -11.753 -4.629 407 1HB LYS 52 1HB LYS 52 -16.757 -9.802 -6.572 408 2HB LYS 52 2HB LYS 52 -15.372 -9.204 -5.682 409 1HG LYS 52 1HG LYS 52 -14.354 -11.554 -5.894 410 2HG LYS 52 2HG LYS 52 -15.663 -11.945 -6.990 411 1HD LYS 52 1HD LYS 52 -14.507 -9.412 -7.801 412 2HD LYS 52 2HD LYS 52 -13.211 -10.573 -7.586 413 1HE LYS 52 1HE LYS 52 -15.475 -11.823 -8.959 414 2HE LYS 52 2HE LYS 52 -14.978 -10.369 -9.803 415 1HZ LYS 52 1HZ LYS 52 -12.644 -11.332 -9.468 416 2HZ LYS 52 2HZ LYS 52 -13.411 -12.754 -9.230 417 3HZ LYS 52 3HZ LYS 52 -13.592 -11.957 -10.643 418 H LEU 53 H LEU 53 -14.666 -11.731 -3.152 419 HA LEU 53 HA LEU 53 -14.875 -9.620 -1.136 420 1HB LEU 53 1HB LEU 53 -14.764 -12.416 -0.976 421 2HB LEU 53 2HB LEU 53 -13.189 -11.865 -0.440 422 HG LEU 53 HG LEU 53 -15.000 -12.200 1.328 423 1HD1 LEU 53 2HD1 LEU 53 -12.901 -10.286 1.093 424 2HD1 LEU 53 3HD1 LEU 53 -14.242 -9.535 1.991 425 3HD1 LEU 53 1HD1 LEU 53 -13.542 -11.071 2.555 426 1HD2 LEU 53 3HD2 LEU 53 -16.622 -10.783 -0.238 427 2HD2 LEU 53 1HD2 LEU 53 -16.791 -10.811 1.534 428 3HD2 LEU 53 2HD2 LEU 53 -15.973 -9.444 0.739 429 H GLN 54 H GLN 54 -13.767 -8.309 -2.993 430 HA GLN 54 HA GLN 54 -10.958 -8.914 -3.165 431 1HB GLN 54 1HB GLN 54 -11.956 -8.256 -5.243 432 2HB GLN 54 2HB GLN 54 -12.771 -6.886 -4.515 433 1HG GLN 54 1HG GLN 54 -10.836 -5.575 -4.452 434 2HG GLN 54 2HG GLN 54 -9.769 -6.959 -4.312 435 1HE2 GLN 54 2HE2 GLN 54 -9.463 -7.622 -7.761 436 2HE2 GLN 54 1HE2 GLN 54 -9.349 -8.260 -6.155 437 H ILE 55 H ILE 55 -9.298 -7.691 -2.220 438 HA ILE 55 HA ILE 55 -9.993 -5.226 -0.882 439 HB ILE 55 HB ILE 55 -9.714 -5.853 1.265 440 1HG1 ILE 55 1HG1 ILE 55 -7.415 -6.702 0.928 441 2HG1 ILE 55 2HG1 ILE 55 -8.326 -7.634 2.099 442 1HG2 ILE 55 2HG2 ILE 55 -10.659 -8.437 -0.004 443 2HG2 ILE 55 3HG2 ILE 55 -10.825 -8.008 1.715 444 3HG2 ILE 55 1HG2 ILE 55 -11.667 -7.050 0.473 445 1HD1 ILE 55 1HD1 ILE 55 -8.057 -8.421 -0.837 446 2HD1 ILE 55 2HD1 ILE 55 -7.015 -9.047 0.463 447 3HD1 ILE 55 3HD1 ILE 55 -8.760 -9.400 0.472 448 H GLN 56 H GLN 56 -7.948 -4.177 0.029 449 HA GLN 56 HA GLN 56 -5.633 -5.132 -1.458 450 1HB GLN 56 1HB GLN 56 -6.518 -3.275 -2.747 451 2HB GLN 56 2HB GLN 56 -6.699 -2.284 -1.313 452 1HG GLN 56 1HG GLN 56 -3.943 -3.237 -1.539 453 2HG GLN 56 2HG GLN 56 -4.431 -2.439 -3.021 454 1HE2 GLN 56 2HE2 GLN 56 -5.345 0.666 -1.274 455 2HE2 GLN 56 1HE2 GLN 56 -6.078 -0.493 -2.332 456 H CYS 57 H CYS 57 -3.606 -4.858 -0.409 457 HA CYS 57 HA CYS 57 -3.790 -3.710 2.279 458 1HB CYS 57 1HB CYS 57 -2.115 -5.512 2.962 459 2HB CYS 57 2HB CYS 57 -3.776 -6.019 2.732 460 HG CYS 57 HG CYS 57 -1.225 -6.209 0.628 461 H VAL 58 H VAL 58 -1.248 -3.560 3.076 462 HA VAL 58 HA VAL 58 0.394 -2.722 0.819 463 HB VAL 58 HB VAL 58 -0.274 -0.964 3.189 464 1HG1 VAL 58 1HG1 VAL 58 2.107 -0.881 2.250 465 2HG1 VAL 58 2HG1 VAL 58 1.379 -0.205 0.772 466 3HG1 VAL 58 3HG1 VAL 58 1.211 0.655 2.321 467 1HG2 VAL 58 2HG2 VAL 58 -1.307 -1.109 0.396 468 2HG2 VAL 58 3HG2 VAL 58 -2.116 -0.597 1.897 469 3HG2 VAL 58 1HG2 VAL 58 -0.997 0.510 1.066 470 H VAL 59 H VAL 59 2.128 -4.045 1.050 471 HA VAL 59 HA VAL 59 2.963 -4.751 3.745 472 HB VAL 59 HB VAL 59 4.077 -6.537 2.788 473 1HG1 VAL 59 1HG1 VAL 59 1.559 -6.579 2.486 474 2HG1 VAL 59 2HG1 VAL 59 1.838 -6.136 0.785 475 3HG1 VAL 59 3HG1 VAL 59 2.483 -7.667 1.424 476 1HG2 VAL 59 2HG2 VAL 59 5.380 -5.193 1.152 477 2HG2 VAL 59 3HG2 VAL 59 4.777 -6.725 0.473 478 3HG2 VAL 59 1HG2 VAL 59 3.967 -5.192 0.068 479 H GLU 60 H GLU 60 5.427 -4.782 4.129 480 HA GLU 60 HA GLU 60 6.385 -2.183 3.281 481 1HB GLU 60 1HB GLU 60 6.576 -2.235 5.594 482 2HB GLU 60 2HB GLU 60 6.851 -3.964 5.648 483 1HG GLU 60 1HG GLU 60 9.139 -3.764 5.272 484 2HG GLU 60 2HG GLU 60 8.965 -2.325 4.287 485 H ASP 61 H ASP 61 7.632 -2.190 1.460 486 HA ASP 61 HA ASP 61 9.011 -2.854 -0.088 487 1HB ASP 61 1HB ASP 61 10.776 -2.290 1.399 488 2HB ASP 61 2HB ASP 61 10.449 -3.647 2.457 489 H ASP 62 H ASP 62 10.140 -5.541 2.000 490 HA ASP 62 HA ASP 62 8.477 -7.406 0.557 491 1HB ASP 62 1HB ASP 62 11.019 -6.944 -0.366 492 2HB ASP 62 2HB ASP 62 11.358 -8.184 0.824 493 H LYS 63 H LYS 63 8.861 -6.266 3.372 494 HA LYS 63 HA LYS 63 10.013 -8.468 4.843 495 1HB LYS 63 1HB LYS 63 9.740 -5.725 5.278 496 2HB LYS 63 2HB LYS 63 8.598 -6.442 6.397 497 1HG LYS 63 1HG LYS 63 10.496 -6.597 7.711 498 2HG LYS 63 2HG LYS 63 10.648 -8.124 6.866 499 1HD LYS 63 1HD LYS 63 11.899 -5.574 5.771 500 2HD LYS 63 2HD LYS 63 12.737 -6.575 6.940 501 1HE LYS 63 1HE LYS 63 12.443 -8.556 5.381 502 2HE LYS 63 2HE LYS 63 11.738 -7.474 4.196 503 1HZ LYS 63 1HZ LYS 63 13.856 -6.158 4.471 504 2HZ LYS 63 2HZ LYS 63 14.475 -7.467 5.225 505 3HZ LYS 63 3HZ LYS 63 13.973 -7.579 3.675 506 H VAL 64 H VAL 64 6.808 -7.095 4.015 507 HA VAL 64 HA VAL 64 5.597 -9.359 5.440 508 HB VAL 64 HB VAL 64 4.651 -6.580 4.784 509 1HG1 VAL 64 1HG1 VAL 64 3.043 -9.036 4.943 510 2HG1 VAL 64 2HG1 VAL 64 2.511 -7.757 6.060 511 3HG1 VAL 64 3HG1 VAL 64 2.622 -7.424 4.315 512 1HG2 VAL 64 3HG2 VAL 64 5.263 -8.159 7.244 513 2HG2 VAL 64 1HG2 VAL 64 5.560 -6.442 6.877 514 3HG2 VAL 64 2HG2 VAL 64 3.925 -6.986 7.326 515 H GLY 65 H GLY 65 4.477 -10.886 4.290 516 1HA GLY 65 1HA GLY 65 3.965 -10.299 1.439 517 2HA GLY 65 2HA GLY 65 4.742 -11.784 1.949 518 H THR 66 H THR 66 2.366 -11.918 0.494 519 HA THR 66 HA THR 66 0.121 -12.107 2.269 520 HB THR 66 HB THR 66 0.553 -13.048 -0.616 521 HG1 THR 66 1HG THR 66 0.907 -10.723 -0.120 522 1HG2 THR 66 3HG2 THR 66 -1.598 -13.691 0.932 523 2HG2 THR 66 1HG2 THR 66 -2.069 -12.040 0.459 524 3HG2 THR 66 2HG2 THR 66 -1.760 -13.270 -0.790 525 H ASP 67 H ASP 67 1.940 -13.521 3.608 526 HA ASP 67 HA ASP 67 1.400 -16.281 2.870 527 1HB ASP 67 1HB ASP 67 3.230 -16.596 4.786 528 2HB ASP 67 2HB ASP 67 3.703 -16.203 3.145 529 H MET 68 H MET 68 1.736 -14.042 5.730 530 HA MET 68 HA MET 68 0.417 -15.829 7.461 531 1HB MET 68 1HB MET 68 2.059 -13.648 7.768 532 2HB MET 68 2HB MET 68 0.513 -12.873 8.053 533 1HG MET 68 1HG MET 68 0.138 -15.028 9.640 534 2HG MET 68 2HG MET 68 1.891 -15.015 9.668 535 1HE MET 68 2HE MET 68 -1.072 -12.837 9.499 536 2HE MET 68 3HE MET 68 -1.053 -11.857 10.985 537 3HE MET 68 1HE MET 68 -0.166 -11.305 9.545 538 H LEU 69 H LEU 69 -0.545 -12.877 5.623 539 HA LEU 69 HA LEU 69 -3.051 -12.533 6.736 540 1HB LEU 69 1HB LEU 69 -2.190 -12.001 3.889 541 2HB LEU 69 2HB LEU 69 -3.569 -11.296 4.707 542 HG LEU 69 HG LEU 69 -0.888 -10.903 5.958 543 1HD1 LEU 69 3HD1 LEU 69 -0.733 -10.551 3.395 544 2HD1 LEU 69 1HD1 LEU 69 -1.705 -9.090 3.701 545 3HD1 LEU 69 2HD1 LEU 69 -0.119 -9.284 4.485 546 1HD2 LEU 69 2HD2 LEU 69 -3.376 -9.206 5.639 547 2HD2 LEU 69 3HD2 LEU 69 -2.787 -10.013 7.112 548 3HD2 LEU 69 1HD2 LEU 69 -1.874 -8.653 6.418 549 H GLU 70 H GLU 70 -1.921 -14.705 4.098 550 HA GLU 70 HA GLU 70 -4.448 -15.532 3.323 551 1HB GLU 70 1HB GLU 70 -2.428 -15.916 1.969 552 2HB GLU 70 2HB GLU 70 -1.766 -16.979 3.196 553 1HG GLU 70 1HG GLU 70 -4.038 -18.321 2.868 554 2HG GLU 70 2HG GLU 70 -4.114 -17.461 1.343 555 H GLU 71 H GLU 71 -2.039 -17.131 5.535 556 HA GLU 71 HA GLU 71 -3.679 -19.224 6.232 557 1HB GLU 71 1HB GLU 71 -1.245 -17.914 7.386 558 2HB GLU 71 2HB GLU 71 -2.144 -18.963 8.464 559 1HG GLU 71 1HG GLU 71 -2.000 -20.822 6.824 560 2HG GLU 71 2HG GLU 71 -1.178 -19.777 5.681 561 H GLN 72 H GLN 72 -4.019 -15.881 6.917 562 HA GLN 72 HA GLN 72 -5.483 -16.413 9.360 563 1HB GLN 72 1HB GLN 72 -4.728 -13.769 8.037 564 2HB GLN 72 2HB GLN 72 -5.533 -13.926 9.586 565 1HG GLN 72 1HG GLN 72 -3.083 -15.571 9.414 566 2HG GLN 72 2HG GLN 72 -2.761 -13.866 9.170 567 1HE2 GLN 72 2HE2 GLN 72 -3.825 -15.393 12.814 568 2HE2 GLN 72 1HE2 GLN 72 -3.763 -16.333 11.360 569 H ILE 73 H ILE 73 -5.868 -14.927 6.080 570 HA ILE 73 HA ILE 73 -8.652 -14.472 6.451 571 HB ILE 73 HB ILE 73 -6.966 -14.504 3.945 572 1HG1 ILE 73 1HG1 ILE 73 -7.821 -12.018 5.396 573 2HG1 ILE 73 2HG1 ILE 73 -6.416 -12.900 5.959 574 1HG2 ILE 73 1HG2 ILE 73 -9.740 -14.460 4.174 575 2HG2 ILE 73 2HG2 ILE 73 -9.286 -12.753 3.954 576 3HG2 ILE 73 3HG2 ILE 73 -8.772 -13.971 2.762 577 1HD1 ILE 73 3HD1 ILE 73 -5.542 -12.839 3.543 578 2HD1 ILE 73 1HD1 ILE 73 -6.857 -11.689 3.200 579 3HD1 ILE 73 2HD1 ILE 73 -5.599 -11.274 4.389 580 H THR 74 H THR 74 -6.690 -16.885 4.581 581 HA THR 74 HA THR 74 -9.030 -18.377 3.877 582 HB THR 74 HB THR 74 -7.447 -19.730 2.678 583 HG1 THR 74 1HG THR 74 -5.917 -20.276 4.245 584 1HG2 THR 74 3HG2 THR 74 -7.352 -17.089 2.196 585 2HG2 THR 74 1HG2 THR 74 -5.727 -17.251 2.904 586 3HG2 THR 74 2HG2 THR 74 -6.162 -18.186 1.452 587 H ALA 75 H ALA 75 -7.587 -17.911 6.824 588 HA ALA 75 HA ALA 75 -7.373 -20.562 7.762 589 1HB ALA 75 2HB ALA 75 -6.899 -17.926 8.688 590 2HB ALA 75 3HB ALA 75 -8.062 -18.649 9.825 591 3HB ALA 75 1HB ALA 75 -6.506 -19.454 9.513 592 H PHE 76 H PHE 76 -10.063 -18.501 6.967 593 HA PHE 76 HA PHE 76 -11.844 -20.091 8.651 594 1HB PHE 76 1HB PHE 76 -11.703 -17.361 7.468 595 2HB PHE 76 2HB PHE 76 -13.269 -18.103 7.209 596 HD1 PHE 76 2HD PHE 76 -13.748 -19.598 9.649 597 HD2 PHE 76 1HD PHE 76 -11.941 -15.791 9.146 598 HE1 PHE 76 2HE PHE 76 -14.435 -18.963 11.979 599 HE2 PHE 76 1HE PHE 76 -12.627 -15.158 11.475 600 HZ PHE 76 HZ PHE 76 -13.866 -16.751 12.863 601 H GLU 77 H GLU 77 -11.943 -22.054 7.458 602 HA GLU 77 HA GLU 77 -12.471 -21.948 4.673 603 1HB GLU 77 1HB GLU 77 -11.772 -23.957 6.667 604 2HB GLU 77 2HB GLU 77 -13.083 -24.542 5.664 605 1HG GLU 77 1HG GLU 77 -11.485 -23.457 3.727 606 2HG GLU 77 2HG GLU 77 -10.261 -23.880 4.909 607 H ASP 78 H ASP 78 -14.364 -21.265 7.344 608 HA ASP 78 HA ASP 78 -16.728 -22.531 6.268 609 1HB ASP 78 1HB ASP 78 -15.897 -21.336 8.870 610 2HB ASP 78 2HB ASP 78 -17.563 -21.016 8.430 611 H TYR 79 H TYR 79 -15.041 -20.042 5.244 612 HA TYR 79 HA TYR 79 -17.374 -18.437 4.620 613 1HB TYR 79 1HB TYR 79 -14.833 -17.566 6.116 614 2HB TYR 79 2HB TYR 79 -15.828 -16.395 5.274 615 HD1 TYR 79 2HD TYR 79 -15.836 -18.878 8.043 616 HD2 TYR 79 1HD TYR 79 -17.822 -15.537 6.253 617 HE1 TYR 79 2HE TYR 79 -17.320 -18.652 10.094 618 HE2 TYR 79 1HE TYR 79 -19.300 -15.324 8.311 619 HH TYR 79 HH TYR 79 -18.946 -17.590 11.028 620 H VAL 80 H VAL 80 -13.797 -18.916 4.351 621 HA VAL 80 HA VAL 80 -13.793 -17.610 1.776 622 HB VAL 80 HB VAL 80 -11.684 -18.930 3.487 623 1HG1 VAL 80 1HG1 VAL 80 -11.600 -18.628 0.691 624 2HG1 VAL 80 2HG1 VAL 80 -10.616 -17.297 1.346 625 3HG1 VAL 80 3HG1 VAL 80 -10.240 -18.980 1.784 626 1HG2 VAL 80 3HG2 VAL 80 -12.628 -16.136 3.032 627 2HG2 VAL 80 1HG2 VAL 80 -12.009 -16.914 4.508 628 3HG2 VAL 80 2HG2 VAL 80 -10.878 -16.388 3.239 629 H GLN 81 H GLN 81 -14.162 -18.621 -0.129 630 HA GLN 81 HA GLN 81 -14.501 -21.461 -0.055 631 1HB GLN 81 1HB GLN 81 -16.124 -20.025 -1.251 632 2HB GLN 81 2HB GLN 81 -14.859 -19.440 -2.312 633 1HG GLN 81 1HG GLN 81 -14.539 -22.140 -2.657 634 2HG GLN 81 2HG GLN 81 -16.253 -22.089 -2.296 635 1HE2 GLN 81 2HE2 GLN 81 -16.303 -21.793 -5.866 636 2HE2 GLN 81 1HE2 GLN 81 -16.172 -22.937 -4.572 637 H SER 82 H SER 82 -12.292 -19.023 -1.508 638 HA SER 82 HA SER 82 -10.146 -20.717 -1.525 639 1HB SER 82 1HB SER 82 -9.881 -21.151 -3.992 640 2HB SER 82 2HB SER 82 -11.195 -22.046 -3.255 641 HG SER 82 HG SER 82 -11.464 -19.572 -4.743 642 H MET 83 H MET 83 -8.748 -19.043 -1.067 643 HA MET 83 HA MET 83 -9.156 -16.506 -2.296 644 1HB MET 83 1HB MET 83 -8.403 -16.520 0.008 645 2HB MET 83 2HB MET 83 -7.145 -17.695 -0.327 646 1HG MET 83 1HG MET 83 -6.006 -15.964 -1.807 647 2HG MET 83 2HG MET 83 -7.211 -14.797 -1.298 648 1HE MET 83 3HE MET 83 -4.123 -14.706 -1.133 649 2HE MET 83 1HE MET 83 -3.427 -14.778 0.503 650 3HE MET 83 2HE MET 83 -3.724 -16.279 -0.405 651 H ASP 84 H ASP 84 -7.499 -15.335 -3.555 652 HA ASP 84 HA ASP 84 -5.467 -17.022 -4.711 653 1HB ASP 84 1HB ASP 84 -7.778 -15.756 -6.198 654 2HB ASP 84 2HB ASP 84 -6.225 -15.863 -7.003 655 H VAL 85 H VAL 85 -4.424 -15.308 -6.622 656 HA VAL 85 HA VAL 85 -3.926 -12.864 -5.075 657 HB VAL 85 HB VAL 85 -2.047 -14.465 -5.433 658 1HG1 VAL 85 1HG1 VAL 85 -3.013 -14.490 -8.090 659 2HG1 VAL 85 2HG1 VAL 85 -1.417 -13.703 -8.144 660 3HG1 VAL 85 3HG1 VAL 85 -1.584 -15.327 -7.438 661 1HG2 VAL 85 3HG2 VAL 85 -2.085 -11.596 -6.102 662 2HG2 VAL 85 1HG2 VAL 85 -1.039 -12.502 -4.983 663 3HG2 VAL 85 2HG2 VAL 85 -0.664 -12.472 -6.723 664 H ALA 86 H ALA 86 -4.024 -10.832 -6.109 665 HA ALA 86 HA ALA 86 -5.469 -10.919 -8.657 666 1HB ALA 86 3HB ALA 86 -6.425 -9.826 -6.516 667 2HB ALA 86 1HB ALA 86 -5.214 -8.550 -6.784 668 3HB ALA 86 2HB ALA 86 -6.460 -8.867 -8.015 669 H ALA 87 H ALA 87 -2.507 -9.910 -7.015 670 HA ALA 87 HA ALA 87 -0.978 -9.675 -9.224 671 1HB ALA 87 2HB ALA 87 -2.674 -7.249 -8.799 672 2HB ALA 87 3HB ALA 87 -0.966 -6.982 -9.218 673 3HB ALA 87 1HB ALA 87 -2.010 -7.930 -10.303 674 H PHE 88 H PHE 88 0.999 -8.042 -8.749 675 HA PHE 88 HA PHE 88 1.343 -7.565 -5.932 676 1HB PHE 88 1HB PHE 88 2.178 -10.011 -7.253 677 2HB PHE 88 2HB PHE 88 3.633 -9.083 -6.950 678 HD1 PHE 88 1HD PHE 88 0.631 -10.480 -5.272 679 HD2 PHE 88 2HD PHE 88 4.597 -9.040 -4.814 680 HE1 PHE 88 1HE PHE 88 0.646 -11.277 -2.892 681 HE2 PHE 88 2HE PHE 88 4.611 -9.837 -2.433 682 HZ PHE 88 HZ PHE 88 2.635 -10.946 -1.501 683 H ASN 89 H ASN 89 1.796 -5.395 -6.323 684 HA ASN 89 HA ASN 89 4.303 -4.963 -7.699 685 1HB ASN 89 1HB ASN 89 1.637 -3.648 -8.355 686 2HB ASN 89 2HB ASN 89 3.127 -2.769 -8.630 687 1HD2 ASN 89 2HD2 ASN 89 1.795 -5.338 -11.353 688 2HD2 ASN 89 1HD2 ASN 89 0.890 -4.595 -10.077 689 H LYS 90 H LYS 90 4.556 -2.221 -7.434 690 HA LYS 90 HA LYS 90 4.718 -1.906 -4.605 691 1HB LYS 90 1HB LYS 90 6.467 -1.112 -6.153 692 2HB LYS 90 2HB LYS 90 5.337 0.024 -6.861 693 1HG LYS 90 1HG LYS 90 5.277 1.385 -4.943 694 2HG LYS 90 2HG LYS 90 5.713 0.074 -3.865 695 1HD LYS 90 1HD LYS 90 8.003 0.239 -4.353 696 2HD LYS 90 2HD LYS 90 7.728 0.907 -5.950 697 1HE LYS 90 1HE LYS 90 6.622 2.730 -3.981 698 2HE LYS 90 2HE LYS 90 8.262 2.327 -3.512 699 1HZ LYS 90 2HZ LYS 90 8.592 2.726 -6.088 700 2HZ LYS 90 3HZ LYS 90 7.332 3.736 -5.842 701 3HZ LYS 90 1HZ LYS 90 8.711 3.927 -4.988 702 H ILE 91 H ILE 91 3.928 0.112 -3.552 703 HA ILE 91 HA ILE 91 1.106 0.585 -4.370 704 HB ILE 91 HB ILE 91 1.257 -0.424 -2.191 705 1HG1 ILE 91 1HG1 ILE 91 0.899 2.071 -0.905 706 2HG1 ILE 91 2HG1 ILE 91 0.376 2.320 -2.588 707 1HG2 ILE 91 3HG2 ILE 91 3.767 0.632 -2.072 708 2HG2 ILE 91 1HG2 ILE 91 2.899 1.763 -1.007 709 3HG2 ILE 91 2HG2 ILE 91 2.891 0.020 -0.648 710 1HD1 ILE 91 1HD1 ILE 91 -0.495 -0.156 -1.092 711 2HD1 ILE 91 2HD1 ILE 91 -1.340 1.386 -0.821 712 3HD1 ILE 91 3HD1 ILE 91 -1.288 0.674 -2.451 No H/Q in entry = 712 Start of MODEL 9 1 1H MET 1 2HN MET 1 9.886 2.215 -5.163 2 2H MET 1 3HN MET 1 9.570 1.598 -6.666 3 3H MET 1 H MET 1 10.856 2.618 -6.444 4 HA MET 1 HA MET 1 9.620 4.275 -7.025 5 1HB MET 1 1HB MET 1 7.584 2.069 -6.979 6 2HB MET 1 2HB MET 1 7.011 3.751 -7.084 7 1HG MET 1 1HG MET 1 7.296 2.989 -9.330 8 2HG MET 1 2HG MET 1 8.640 4.089 -8.984 9 1HE MET 1 3HE MET 1 11.001 3.577 -8.874 10 2HE MET 1 1HE MET 1 11.669 2.266 -9.875 11 3HE MET 1 2HE MET 1 10.553 3.453 -10.592 12 H LEU 2 H LEU 2 8.042 2.391 -4.323 13 HA LEU 2 HA LEU 2 7.481 4.966 -3.061 14 1HB LEU 2 1HB LEU 2 5.932 2.727 -3.421 15 2HB LEU 2 2HB LEU 2 6.504 2.517 -1.778 16 HG LEU 2 HG LEU 2 5.698 5.194 -1.883 17 1HD1 LEU 2 3HD1 LEU 2 4.583 4.307 -4.106 18 2HD1 LEU 2 1HD1 LEU 2 3.369 3.669 -2.971 19 3HD1 LEU 2 2HD1 LEU 2 3.720 5.413 -3.011 20 1HD2 LEU 2 2HD2 LEU 2 5.458 3.316 -0.112 21 2HD2 LEU 2 3HD2 LEU 2 4.227 4.600 -0.191 22 3HD2 LEU 2 1HD2 LEU 2 3.893 3.000 -0.898 23 H VAL 3 H VAL 3 7.363 3.694 -0.371 24 HA VAL 3 HA VAL 3 10.216 3.860 0.154 25 HB VAL 3 HB VAL 3 9.300 3.837 2.561 26 1HG1 VAL 3 1HG1 VAL 3 8.832 6.074 0.575 27 2HG1 VAL 3 2HG1 VAL 3 8.599 6.279 2.328 28 3HG1 VAL 3 3HG1 VAL 3 10.202 5.848 1.689 29 1HG2 VAL 3 1HG2 VAL 3 6.999 3.018 1.646 30 2HG2 VAL 3 2HG2 VAL 3 7.039 4.219 2.959 31 3HG2 VAL 3 3HG2 VAL 3 6.724 4.738 1.286 32 H ALA 4 H ALA 4 10.647 1.743 -0.906 33 HA ALA 4 HA ALA 4 10.738 -0.498 -0.966 34 1HB ALA 4 2HB ALA 4 11.754 0.561 1.588 35 2HB ALA 4 3HB ALA 4 11.369 -1.176 1.647 36 3HB ALA 4 1HB ALA 4 12.515 -0.560 0.433 37 H LYS 5 H LYS 5 8.037 0.344 -0.814 38 HA LYS 5 HA LYS 5 6.937 -1.779 0.893 39 1HB LYS 5 1HB LYS 5 5.918 1.020 0.392 40 2HB LYS 5 2HB LYS 5 4.855 -0.264 0.929 41 1HG LYS 5 1HG LYS 5 7.362 -0.160 2.488 42 2HG LYS 5 2HG LYS 5 6.464 1.343 2.572 43 1HD LYS 5 1HD LYS 5 5.274 -1.416 3.130 44 2HD LYS 5 2HD LYS 5 5.818 -0.303 4.369 45 1HE LYS 5 1HE LYS 5 3.849 0.727 2.327 46 2HE LYS 5 2HE LYS 5 3.249 -0.374 3.551 47 1HZ LYS 5 1HZ LYS 5 4.866 1.475 4.816 48 2HZ LYS 5 2HZ LYS 5 3.878 2.317 3.827 49 3HZ LYS 5 3HZ LYS 5 3.246 1.308 4.945 50 H SER 6 H SER 6 4.609 -2.383 0.022 51 HA SER 6 HA SER 6 4.387 -2.091 -2.807 52 1HB SER 6 1HB SER 6 5.905 -3.940 -2.879 53 2HB SER 6 2HB SER 6 5.126 -4.746 -1.533 54 HG SER 6 HG SER 6 3.957 -4.317 -4.151 55 H SER 7 H SER 7 2.340 -3.400 -3.583 56 HA SER 7 HA SER 7 0.481 -3.587 -1.347 57 1HB SER 7 1HB SER 7 -0.255 -1.583 -2.280 58 2HB SER 7 2HB SER 7 0.264 -2.014 -3.898 59 HG SER 7 HG SER 7 -1.928 -2.217 -4.027 60 H ILE 8 H ILE 8 -1.100 -5.267 -1.519 61 HA ILE 8 HA ILE 8 -0.863 -6.947 -3.909 62 HB ILE 8 HB ILE 8 -0.795 -7.857 -1.032 63 1HG1 ILE 8 1HG1 ILE 8 1.355 -8.991 -2.135 64 2HG1 ILE 8 2HG1 ILE 8 1.247 -7.603 -3.199 65 1HG2 ILE 8 3HG2 ILE 8 -2.110 -9.177 -3.002 66 2HG2 ILE 8 1HG2 ILE 8 -0.469 -9.838 -3.198 67 3HG2 ILE 8 2HG2 ILE 8 -1.298 -9.967 -1.629 68 1HD1 ILE 8 1HD1 ILE 8 0.970 -7.116 -0.239 69 2HD1 ILE 8 2HD1 ILE 8 2.588 -7.475 -0.888 70 3HD1 ILE 8 3HD1 ILE 8 1.676 -6.073 -1.496 71 H LEU 9 H LEU 9 -2.800 -7.169 -4.879 72 HA LEU 9 HA LEU 9 -5.162 -6.621 -3.242 73 1HB LEU 9 1HB LEU 9 -4.631 -5.266 -5.304 74 2HB LEU 9 2HB LEU 9 -4.940 -6.708 -6.249 75 HG LEU 9 HG LEU 9 -7.257 -6.743 -5.108 76 1HD1 LEU 9 3HD1 LEU 9 -6.127 -4.249 -4.038 77 2HD1 LEU 9 1HD1 LEU 9 -7.748 -4.074 -4.751 78 3HD1 LEU 9 2HD1 LEU 9 -7.472 -5.255 -3.448 79 1HD2 LEU 9 2HD2 LEU 9 -6.325 -4.839 -7.235 80 2HD2 LEU 9 3HD2 LEU 9 -7.297 -6.323 -7.378 81 3HD2 LEU 9 1HD2 LEU 9 -8.029 -4.840 -6.720 82 H LEU 10 H LEU 10 -5.694 -8.532 -2.234 83 HA LEU 10 HA LEU 10 -5.704 -10.941 -3.876 84 1HB LEU 10 1HB LEU 10 -6.277 -10.744 -0.928 85 2HB LEU 10 2HB LEU 10 -5.812 -12.156 -1.856 86 HG LEU 10 HG LEU 10 -3.648 -10.573 -2.294 87 1HD1 LEU 10 1HD1 LEU 10 -5.012 -9.490 0.072 88 2HD1 LEU 10 2HD1 LEU 10 -3.304 -9.912 0.341 89 3HD1 LEU 10 3HD1 LEU 10 -3.746 -8.779 -0.958 90 1HD2 LEU 10 3HD2 LEU 10 -3.861 -12.972 -1.444 91 2HD2 LEU 10 1HD2 LEU 10 -2.461 -12.027 -0.883 92 3HD2 LEU 10 2HD2 LEU 10 -3.858 -12.272 0.192 93 H ASP 11 H ASP 11 -7.569 -12.044 -4.445 94 HA ASP 11 HA ASP 11 -10.025 -10.672 -3.678 95 1HB ASP 11 1HB ASP 11 -9.312 -10.576 -6.142 96 2HB ASP 11 2HB ASP 11 -9.535 -12.313 -6.205 97 H VAL 12 H VAL 12 -10.652 -12.048 -1.935 98 HA VAL 12 HA VAL 12 -10.432 -14.909 -2.264 99 HB VAL 12 HB VAL 12 -11.642 -13.299 -0.011 100 1HG1 VAL 12 3HG1 VAL 12 -11.039 -16.172 -0.461 101 2HG1 VAL 12 1HG1 VAL 12 -10.591 -15.518 1.133 102 3HG1 VAL 12 2HG1 VAL 12 -12.273 -15.401 0.564 103 1HG2 VAL 12 3HG2 VAL 12 -8.828 -13.698 -0.809 104 2HG2 VAL 12 1HG2 VAL 12 -9.562 -12.471 0.252 105 3HG2 VAL 12 2HG2 VAL 12 -9.179 -14.087 0.892 106 H LYS 13 H LYS 13 -12.209 -16.374 -2.332 107 HA LYS 13 HA LYS 13 -14.684 -15.079 -3.231 108 1HB LYS 13 1HB LYS 13 -13.086 -16.891 -4.566 109 2HB LYS 13 2HB LYS 13 -14.314 -17.927 -3.868 110 1HG LYS 13 1HG LYS 13 -15.729 -17.284 -5.516 111 2HG LYS 13 2HG LYS 13 -15.741 -15.673 -4.827 112 1HD LYS 13 1HD LYS 13 -13.856 -14.979 -6.218 113 2HD LYS 13 2HD LYS 13 -13.587 -16.621 -6.769 114 1HE LYS 13 1HE LYS 13 -14.792 -15.713 -8.570 115 2HE LYS 13 2HE LYS 13 -16.068 -16.488 -7.652 116 1HZ LYS 13 1HZ LYS 13 -15.971 -14.088 -6.520 117 2HZ LYS 13 2HZ LYS 13 -15.570 -13.702 -8.056 118 3HZ LYS 13 3HZ LYS 13 -16.975 -14.477 -7.747 119 HA PRO 14 HA PRO 14 -16.430 -16.718 0.389 120 1HB PRO 14 1HB PRO 14 -19.017 -15.946 -0.041 121 2HB PRO 14 2HB PRO 14 -17.800 -14.885 0.640 122 1HG PRO 14 1HG PRO 14 -18.939 -14.888 -2.087 123 2HG PRO 14 2HG PRO 14 -18.065 -13.613 -1.265 124 1HD PRO 14 1HD PRO 14 -17.043 -15.359 -3.298 125 2HD PRO 14 2HD PRO 14 -16.138 -14.161 -2.394 126 H TRP 15 H TRP 15 -17.492 -18.524 1.201 127 HA TRP 15 HA TRP 15 -17.618 -20.654 -0.554 128 1HB TRP 15 1HB TRP 15 -18.291 -20.110 2.235 129 2HB TRP 15 2HB TRP 15 -19.341 -21.311 1.511 130 HD1 TRP 15 HD TRP 15 -16.583 -21.552 3.610 131 HE1 TRP 15 1HE TRP 15 -14.915 -23.553 3.189 132 HE3 TRP 15 3HE TRP 15 -18.097 -22.503 -1.150 133 HZ2 TRP 15 2HZ TRP 15 -14.426 -25.270 0.963 134 HZ3 TRP 15 3HZ TRP 15 -16.973 -24.358 -2.377 135 HH2 TRP 15 HH TRP 15 -15.197 -25.720 -1.396 136 H ASP 16 H ASP 16 -20.084 -18.265 0.520 137 HA ASP 16 HA ASP 16 -21.554 -18.626 -1.813 138 1HB ASP 16 1HB ASP 16 -22.413 -20.150 0.629 139 2HB ASP 16 2HB ASP 16 -23.681 -19.324 -0.256 140 H ASP 17 H ASP 17 -23.891 -17.438 -1.394 141 HA ASP 17 HA ASP 17 -23.401 -14.902 -0.689 142 1HB ASP 17 1HB ASP 17 -26.050 -15.086 -0.004 143 2HB ASP 17 2HB ASP 17 -25.473 -14.986 -1.656 144 H GLU 18 H GLU 18 -24.136 -17.705 1.373 145 HA GLU 18 HA GLU 18 -25.035 -16.419 3.625 146 1HB GLU 18 1HB GLU 18 -24.413 -18.459 4.823 147 2HB GLU 18 2HB GLU 18 -25.075 -18.885 3.257 148 1HG GLU 18 1HG GLU 18 -22.643 -18.944 2.388 149 2HG GLU 18 2HG GLU 18 -22.134 -18.826 4.061 150 H THR 19 H THR 19 -21.654 -17.274 2.629 151 HA THR 19 HA THR 19 -20.216 -16.571 4.779 152 HB THR 19 HB THR 19 -19.774 -15.986 1.811 153 HG1 THR 19 1HG THR 19 -19.021 -17.960 3.844 154 1HG2 THR 19 1HG2 THR 19 -17.773 -15.964 4.133 155 2HG2 THR 19 2HG2 THR 19 -17.337 -15.942 2.407 156 3HG2 THR 19 3HG2 THR 19 -18.203 -14.562 3.125 157 H ASP 20 H ASP 20 -20.328 -14.960 6.201 158 HA ASP 20 HA ASP 20 -21.703 -12.639 5.731 159 1HB ASP 20 1HB ASP 20 -19.997 -13.774 7.812 160 2HB ASP 20 2HB ASP 20 -19.683 -12.058 7.660 161 H MET 21 H MET 21 -21.080 -11.331 3.960 162 HA MET 21 HA MET 21 -18.395 -11.019 3.226 163 1HB MET 21 1HB MET 21 -20.827 -9.265 2.567 164 2HB MET 21 2HB MET 21 -19.337 -9.323 1.645 165 1HG MET 21 1HG MET 21 -21.275 -11.656 2.041 166 2HG MET 21 2HG MET 21 -21.101 -10.712 0.575 167 1HE MET 21 1HE MET 21 -18.979 -10.329 -0.596 168 2HE MET 21 2HE MET 21 -17.808 -11.630 -0.923 169 3HE MET 21 3HE MET 21 -19.507 -11.814 -1.422 170 H ALA 22 H ALA 22 -20.340 -9.574 5.701 171 HA ALA 22 HA ALA 22 -18.893 -7.080 5.734 172 1HB ALA 22 2HB ALA 22 -21.359 -7.457 6.353 173 2HB ALA 22 3HB ALA 22 -20.755 -8.192 7.857 174 3HB ALA 22 1HB ALA 22 -20.388 -6.490 7.489 175 H LYS 23 H LYS 23 -18.926 -10.246 7.418 176 HA LYS 23 HA LYS 23 -17.021 -9.377 9.373 177 1HB LYS 23 1HB LYS 23 -18.881 -11.208 9.536 178 2HB LYS 23 2HB LYS 23 -17.695 -12.249 8.775 179 1HG LYS 23 1HG LYS 23 -16.613 -12.509 10.748 180 2HG LYS 23 2HG LYS 23 -16.345 -10.781 10.856 181 1HD LYS 23 1HD LYS 23 -18.779 -10.603 11.730 182 2HD LYS 23 2HD LYS 23 -18.745 -12.348 11.888 183 1HE LYS 23 1HE LYS 23 -16.564 -10.628 13.130 184 2HE LYS 23 2HE LYS 23 -18.078 -10.903 13.967 185 1HZ LYS 23 2HZ LYS 23 -17.080 -13.325 12.975 186 2HZ LYS 23 3HZ LYS 23 -15.924 -12.586 13.861 187 3HZ LYS 23 1HZ LYS 23 -17.383 -12.901 14.523 188 H LEU 24 H LEU 24 -17.003 -11.375 6.361 189 HA LEU 24 HA LEU 24 -14.364 -12.161 6.464 190 1HB LEU 24 1HB LEU 24 -16.488 -12.471 4.765 191 2HB LEU 24 2HB LEU 24 -15.401 -11.495 3.797 192 HG LEU 24 HG LEU 24 -14.553 -14.070 5.143 193 1HD1 LEU 24 3HD1 LEU 24 -16.327 -13.759 2.935 194 2HD1 LEU 24 1HD1 LEU 24 -14.779 -14.390 2.321 195 3HD1 LEU 24 2HD1 LEU 24 -15.640 -15.253 3.618 196 1HD2 LEU 24 2HD2 LEU 24 -13.013 -12.060 4.081 197 2HD2 LEU 24 3HD2 LEU 24 -12.521 -13.761 4.263 198 3HD2 LEU 24 1HD2 LEU 24 -13.173 -13.183 2.710 199 H GLU 25 H GLU 25 -15.843 -9.070 5.397 200 HA GLU 25 HA GLU 25 -13.381 -8.090 4.403 201 1HB GLU 25 1HB GLU 25 -15.608 -7.334 3.562 202 2HB GLU 25 2HB GLU 25 -15.952 -6.611 5.120 203 1HG GLU 25 1HG GLU 25 -14.611 -4.795 4.721 204 2HG GLU 25 2HG GLU 25 -13.342 -5.765 3.998 205 H GLU 26 H GLU 26 -15.468 -7.114 7.227 206 HA GLU 26 HA GLU 26 -13.704 -5.394 8.356 207 1HB GLU 26 1HB GLU 26 -15.138 -5.391 10.175 208 2HB GLU 26 2HB GLU 26 -16.176 -6.160 8.990 209 1HG GLU 26 1HG GLU 26 -15.346 -8.419 9.830 210 2HG GLU 26 2HG GLU 26 -14.484 -7.575 11.100 211 H CYS 27 H CYS 27 -13.895 -8.978 8.691 212 HA CYS 27 HA CYS 27 -12.052 -9.254 10.728 213 1HB CYS 27 1HB CYS 27 -13.506 -11.076 9.969 214 2HB CYS 27 2HB CYS 27 -12.664 -11.147 8.434 215 HG CYS 27 HG CYS 27 -12.052 -12.458 11.226 216 H VAL 28 H VAL 28 -11.631 -9.371 7.114 217 HA VAL 28 HA VAL 28 -8.964 -9.806 6.962 218 HB VAL 28 HB VAL 28 -10.808 -8.072 5.327 219 1HG1 VAL 28 3HG1 VAL 28 -7.947 -8.051 5.261 220 2HG1 VAL 28 1HG1 VAL 28 -8.538 -8.853 3.786 221 3HG1 VAL 28 2HG1 VAL 28 -9.095 -7.211 4.190 222 1HG2 VAL 28 1HG2 VAL 28 -10.768 -10.763 5.584 223 2HG2 VAL 28 2HG2 VAL 28 -11.243 -9.924 4.087 224 3HG2 VAL 28 3HG2 VAL 28 -9.590 -10.565 4.262 225 H ARG 29 H ARG 29 -10.512 -6.515 7.092 226 HA ARG 29 HA ARG 29 -8.230 -5.090 7.239 227 1HB ARG 29 1HB ARG 29 -10.996 -4.605 7.576 228 2HB ARG 29 2HB ARG 29 -10.282 -4.015 9.063 229 1HG ARG 29 1HG ARG 29 -9.130 -2.309 8.005 230 2HG ARG 29 2HG ARG 29 -8.826 -3.258 6.563 231 1HD ARG 29 1HD ARG 29 -11.152 -2.937 5.801 232 2HD ARG 29 2HD ARG 29 -11.567 -2.120 7.295 233 HE ARG 29 HE ARG 29 -10.216 -0.946 5.017 234 1HH1 ARG 29 2HH2 ARG 29 -10.399 -0.805 8.529 235 2HH1 ARG 29 1HH2 ARG 29 -9.871 0.842 8.618 236 1HH2 ARG 29 2HH1 ARG 29 -9.520 1.227 5.135 237 2HH2 ARG 29 1HH1 ARG 29 -9.367 2.006 6.674 238 H SER 30 H SER 30 -10.076 -6.678 9.911 239 HA SER 30 HA SER 30 -8.833 -5.649 12.058 240 1HB SER 30 1HB SER 30 -9.952 -7.286 13.173 241 2HB SER 30 2HB SER 30 -10.594 -7.714 11.599 242 HG SER 30 HG SER 30 -9.457 -9.535 11.606 243 H ILE 31 H ILE 31 -7.732 -8.442 10.019 244 HA ILE 31 HA ILE 31 -5.557 -9.251 11.403 245 HB ILE 31 HB ILE 31 -5.935 -8.959 8.425 246 1HG1 ILE 31 1HG1 ILE 31 -6.273 -11.371 10.229 247 2HG1 ILE 31 2HG1 ILE 31 -7.589 -10.353 9.681 248 1HG2 ILE 31 2HG2 ILE 31 -3.561 -9.655 9.883 249 2HG2 ILE 31 3HG2 ILE 31 -4.160 -11.080 9.000 250 3HG2 ILE 31 1HG2 ILE 31 -3.824 -9.566 8.125 251 1HD1 ILE 31 1HD1 ILE 31 -5.660 -11.835 7.835 252 2HD1 ILE 31 2HD1 ILE 31 -7.307 -12.374 8.243 253 3HD1 ILE 31 3HD1 ILE 31 -7.065 -10.870 7.324 254 H GLN 32 H GLN 32 -3.522 -8.516 11.893 255 HA GLN 32 HA GLN 32 -2.740 -6.026 10.605 256 1HB GLN 32 1HB GLN 32 -3.715 -5.972 13.119 257 2HB GLN 32 2HB GLN 32 -2.062 -6.409 13.509 258 1HG GLN 32 1HG GLN 32 -1.814 -4.352 11.577 259 2HG GLN 32 2HG GLN 32 -3.134 -3.831 12.605 260 1HE2 GLN 32 2HE2 GLN 32 -1.177 -2.901 15.298 261 2HE2 GLN 32 1HE2 GLN 32 -2.710 -2.940 14.493 262 H ALA 33 H ALA 33 -0.305 -5.573 10.963 263 HA ALA 33 HA ALA 33 1.365 -7.697 11.772 264 1HB ALA 33 2HB ALA 33 0.288 -7.884 9.114 265 2HB ALA 33 3HB ALA 33 2.025 -7.518 8.997 266 3HB ALA 33 1HB ALA 33 1.476 -8.943 9.910 267 H ASP 34 H ASP 34 1.581 -5.359 12.812 268 HA ASP 34 HA ASP 34 2.625 -3.441 12.972 269 1HB ASP 34 1HB ASP 34 4.546 -4.704 13.489 270 2HB ASP 34 2HB ASP 34 4.671 -5.370 11.873 271 H GLY 35 H GLY 35 4.615 -4.337 10.116 272 1HA GLY 35 1HA GLY 35 4.007 -1.864 8.797 273 2HA GLY 35 2HA GLY 35 5.053 -3.153 8.234 274 H LEU 36 H LEU 36 1.600 -3.468 9.235 275 HA LEU 36 HA LEU 36 1.017 -4.237 6.460 276 1HB LEU 36 1HB LEU 36 0.940 -6.105 8.019 277 2HB LEU 36 2HB LEU 36 -0.189 -5.239 9.043 278 HG LEU 36 HG LEU 36 -1.367 -5.283 6.475 279 1HD1 LEU 36 2HD1 LEU 36 0.153 -7.780 7.084 280 2HD1 LEU 36 3HD1 LEU 36 -1.475 -7.929 6.381 281 3HD1 LEU 36 1HD1 LEU 36 -0.216 -7.008 5.524 282 1HD2 LEU 36 1HD2 LEU 36 -2.498 -5.320 8.675 283 2HD2 LEU 36 2HD2 LEU 36 -3.098 -6.573 7.561 284 3HD2 LEU 36 3HD2 LEU 36 -1.991 -7.013 8.884 285 H VAL 37 H VAL 37 0.014 -2.587 5.438 286 HA VAL 37 HA VAL 37 -1.799 -0.935 7.041 287 HB VAL 37 HB VAL 37 -0.255 -0.496 4.492 288 1HG1 VAL 37 3HG1 VAL 37 -2.851 0.582 5.146 289 2HG1 VAL 37 1HG1 VAL 37 -1.637 1.883 5.143 290 3HG1 VAL 37 2HG1 VAL 37 -1.844 0.855 3.704 291 1HG2 VAL 37 2HG2 VAL 37 -0.293 0.779 7.234 292 2HG2 VAL 37 3HG2 VAL 37 1.065 0.004 6.384 293 3HG2 VAL 37 1HG2 VAL 37 0.447 1.577 5.826 294 H TRP 38 H TRP 38 -3.980 -0.809 6.566 295 HA TRP 38 HA TRP 38 -4.883 -2.664 4.479 296 1HB TRP 38 1HB TRP 38 -5.946 -1.873 7.148 297 2HB TRP 38 2HB TRP 38 -7.099 -2.258 5.886 298 HD1 TRP 38 HD TRP 38 -5.727 -4.004 8.638 299 HE1 TRP 38 1HE TRP 38 -5.434 -6.610 8.336 300 HE3 TRP 38 3HE TRP 38 -6.060 -3.984 3.563 301 HZ2 TRP 38 2HZ TRP 38 -5.377 -8.332 6.060 302 HZ3 TRP 38 3HZ TRP 38 -5.875 -6.170 2.379 303 HH2 TRP 38 HH TRP 38 -5.545 -8.293 3.544 304 H GLY 39 H GLY 39 -4.426 -0.992 2.824 305 1HA GLY 39 1HA GLY 39 -5.135 1.575 2.673 306 2HA GLY 39 2HA GLY 39 -5.349 0.459 1.339 307 H SER 40 H SER 40 -7.450 -1.086 1.754 308 HA SER 40 HA SER 40 -9.564 -0.397 3.180 309 1HB SER 40 1HB SER 40 -9.071 1.701 1.187 310 2HB SER 40 2HB SER 40 -10.663 0.996 0.988 311 HG SER 40 HG SER 40 -10.635 2.804 2.498 312 H SER 41 H SER 41 -11.069 -2.006 2.774 313 HA SER 41 HA SER 41 -10.618 -3.569 0.417 314 1HB SER 41 1HB SER 41 -12.306 -5.113 1.482 315 2HB SER 41 2HB SER 41 -10.910 -4.780 2.488 316 HG SER 41 HG SER 41 -13.212 -3.102 2.755 317 H LYS 42 H LYS 42 -12.445 -4.246 -1.024 318 HA LYS 42 HA LYS 42 -14.715 -2.414 -0.975 319 1HB LYS 42 1HB LYS 42 -14.329 -2.314 -3.579 320 2HB LYS 42 2HB LYS 42 -13.542 -1.180 -2.500 321 1HG LYS 42 1HG LYS 42 -11.460 -2.009 -2.952 322 2HG LYS 42 2HG LYS 42 -11.994 -3.673 -2.816 323 1HD LYS 42 1HD LYS 42 -11.317 -3.374 -5.107 324 2HD LYS 42 2HD LYS 42 -13.069 -3.435 -5.121 325 1HE LYS 42 1HE LYS 42 -11.633 -0.766 -4.907 326 2HE LYS 42 2HE LYS 42 -11.847 -1.531 -6.469 327 1HZ LYS 42 2HZ LYS 42 -14.285 -1.728 -5.447 328 2HZ LYS 42 3HZ LYS 42 -13.804 -0.326 -4.762 329 3HZ LYS 42 1HZ LYS 42 -13.795 -0.486 -6.387 330 H LEU 43 H LEU 43 -16.437 -3.190 -2.603 331 HA LEU 43 HA LEU 43 -16.348 -6.127 -2.671 332 1HB LEU 43 1HB LEU 43 -18.384 -4.227 -1.685 333 2HB LEU 43 2HB LEU 43 -18.996 -5.548 -2.661 334 HG LEU 43 HG LEU 43 -19.159 -6.316 -0.461 335 1HD1 LEU 43 3HD1 LEU 43 -17.797 -7.760 -2.204 336 2HD1 LEU 43 1HD1 LEU 43 -16.484 -7.527 -1.024 337 3HD1 LEU 43 2HD1 LEU 43 -18.009 -8.292 -0.518 338 1HD2 LEU 43 1HD2 LEU 43 -16.410 -5.143 -0.007 339 2HD2 LEU 43 2HD2 LEU 43 -17.951 -4.677 0.751 340 3HD2 LEU 43 3HD2 LEU 43 -17.205 -6.245 1.142 341 H VAL 44 H VAL 44 -17.386 -7.155 -4.505 342 HA VAL 44 HA VAL 44 -18.036 -5.365 -6.709 343 HB VAL 44 HB VAL 44 -15.836 -7.425 -6.682 344 1HG1 VAL 44 2HG1 VAL 44 -17.362 -6.310 -9.046 345 2HG1 VAL 44 3HG1 VAL 44 -15.710 -6.959 -9.190 346 3HG1 VAL 44 1HG1 VAL 44 -17.035 -8.011 -8.637 347 1HG2 VAL 44 1HG2 VAL 44 -16.022 -4.466 -7.216 348 2HG2 VAL 44 2HG2 VAL 44 -14.909 -5.356 -6.150 349 3HG2 VAL 44 3HG2 VAL 44 -14.699 -5.429 -7.916 350 HA PRO 45 HA PRO 45 -21.036 -8.615 -6.524 351 1HB PRO 45 1HB PRO 45 -23.116 -7.167 -7.545 352 2HB PRO 45 2HB PRO 45 -22.752 -7.243 -5.832 353 1HG PRO 45 1HG PRO 45 -22.258 -5.036 -7.735 354 2HG PRO 45 2HG PRO 45 -22.300 -4.987 -5.984 355 1HD PRO 45 1HD PRO 45 -19.963 -4.955 -7.646 356 2HD PRO 45 2HD PRO 45 -20.003 -5.023 -5.895 357 H VAL 46 H VAL 46 -21.484 -10.236 -7.916 358 HA VAL 46 HA VAL 46 -20.851 -9.542 -10.694 359 HB VAL 46 HB VAL 46 -19.401 -11.196 -9.672 360 1HG1 VAL 46 3HG1 VAL 46 -21.968 -12.712 -9.114 361 2HG1 VAL 46 1HG1 VAL 46 -20.345 -13.436 -9.025 362 3HG1 VAL 46 2HG1 VAL 46 -20.785 -12.101 -7.933 363 1HG2 VAL 46 2HG2 VAL 46 -21.304 -12.145 -11.815 364 2HG2 VAL 46 3HG2 VAL 46 -19.632 -11.553 -11.977 365 3HG2 VAL 46 1HG2 VAL 46 -19.944 -13.155 -11.267 366 H GLY 47 H GLY 47 -23.261 -10.977 -8.476 367 1HA GLY 47 1HA GLY 47 -25.215 -10.852 -10.682 368 2HA GLY 47 2HA GLY 47 -25.082 -12.287 -9.687 369 H TYR 48 H TYR 48 -26.618 -12.398 -8.117 370 HA TYR 48 HA TYR 48 -27.193 -9.948 -6.624 371 1HB TYR 48 1HB TYR 48 -29.632 -10.542 -6.858 372 2HB TYR 48 2HB TYR 48 -28.917 -10.290 -8.439 373 HD1 TYR 48 2HD TYR 48 -28.145 -12.373 -9.755 374 HD2 TYR 48 1HD TYR 48 -30.721 -12.567 -6.344 375 HE1 TYR 48 2HE TYR 48 -28.935 -14.681 -10.473 376 HE2 TYR 48 1HE TYR 48 -31.503 -14.874 -7.074 377 HH TYR 48 HH TYR 48 -30.199 -16.799 -8.654 378 H GLY 49 H GLY 49 -26.187 -10.656 -4.736 379 1HA GLY 49 1HA GLY 49 -27.190 -11.799 -2.711 380 2HA GLY 49 2HA GLY 49 -27.092 -13.260 -3.674 381 H ILE 50 H ILE 50 -24.660 -13.072 -4.996 382 HA ILE 50 HA ILE 50 -22.825 -13.226 -2.735 383 HB ILE 50 HB ILE 50 -22.886 -14.406 -5.494 384 1HG1 ILE 50 1HG1 ILE 50 -22.146 -16.218 -3.414 385 2HG1 ILE 50 2HG1 ILE 50 -23.530 -15.302 -2.853 386 1HG2 ILE 50 1HG2 ILE 50 -20.630 -13.531 -5.224 387 2HG2 ILE 50 2HG2 ILE 50 -20.490 -14.329 -3.639 388 3HG2 ILE 50 3HG2 ILE 50 -20.634 -15.308 -5.119 389 1HD1 ILE 50 1HD1 ILE 50 -23.547 -16.393 -5.674 390 2HD1 ILE 50 2HD1 ILE 50 -23.893 -17.482 -4.309 391 3HD1 ILE 50 3HD1 ILE 50 -24.918 -16.055 -4.591 392 H LYS 51 H LYS 51 -20.528 -12.445 -3.144 393 HA LYS 51 HA LYS 51 -20.300 -10.335 -5.091 394 1HB LYS 51 1HB LYS 51 -20.698 -9.787 -2.176 395 2HB LYS 51 2HB LYS 51 -19.531 -8.811 -3.045 396 1HG LYS 51 1HG LYS 51 -21.216 -7.581 -3.925 397 2HG LYS 51 2HG LYS 51 -21.831 -9.006 -4.739 398 1HD LYS 51 1HD LYS 51 -22.594 -9.268 -1.995 399 2HD LYS 51 2HD LYS 51 -22.929 -7.606 -2.436 400 1HE LYS 51 1HE LYS 51 -23.893 -8.905 -4.663 401 2HE LYS 51 2HE LYS 51 -24.186 -10.125 -3.439 402 1HZ LYS 51 2HZ LYS 51 -24.998 -7.850 -2.259 403 2HZ LYS 51 3HZ LYS 51 -25.462 -7.616 -3.807 404 3HZ LYS 51 1HZ LYS 51 -25.978 -8.934 -2.990 405 H LYS 52 H LYS 52 -18.016 -9.399 -5.029 406 HA LYS 52 HA LYS 52 -16.219 -11.620 -4.591 407 1HB LYS 52 1HB LYS 52 -16.414 -9.439 -6.426 408 2HB LYS 52 2HB LYS 52 -14.893 -9.280 -5.572 409 1HG LYS 52 1HG LYS 52 -14.322 -11.644 -6.110 410 2HG LYS 52 2HG LYS 52 -15.863 -11.845 -6.920 411 1HD LYS 52 1HD LYS 52 -14.761 -9.532 -8.108 412 2HD LYS 52 2HD LYS 52 -13.388 -10.603 -7.910 413 1HE LYS 52 1HE LYS 52 -14.353 -12.308 -9.259 414 2HE LYS 52 2HE LYS 52 -15.979 -11.688 -9.056 415 1HZ LYS 52 3HZ LYS 52 -15.295 -9.743 -10.341 416 2HZ LYS 52 1HZ LYS 52 -13.824 -10.408 -10.589 417 3HZ LYS 52 2HZ LYS 52 -15.158 -11.126 -11.201 418 H LEU 53 H LEU 53 -14.545 -11.698 -3.098 419 HA LEU 53 HA LEU 53 -14.710 -9.633 -1.032 420 1HB LEU 53 1HB LEU 53 -14.768 -12.397 -0.907 421 2HB LEU 53 2HB LEU 53 -13.119 -12.011 -0.454 422 HG LEU 53 HG LEU 53 -14.799 -12.231 1.429 423 1HD1 LEU 53 1HD1 LEU 53 -13.025 -9.824 1.073 424 2HD1 LEU 53 2HD1 LEU 53 -13.933 -10.093 2.580 425 3HD1 LEU 53 3HD1 LEU 53 -12.749 -11.301 2.027 426 1HD2 LEU 53 2HD2 LEU 53 -16.339 -10.531 -0.096 427 2HD2 LEU 53 3HD2 LEU 53 -16.599 -10.923 1.620 428 3HD2 LEU 53 1HD2 LEU 53 -15.697 -9.456 1.169 429 H GLN 54 H GLN 54 -13.529 -8.164 -2.577 430 HA GLN 54 HA GLN 54 -10.726 -8.887 -2.782 431 1HB GLN 54 1HB GLN 54 -11.476 -8.188 -4.898 432 2HB GLN 54 2HB GLN 54 -12.524 -6.949 -4.239 433 1HG GLN 54 1HG GLN 54 -10.771 -5.423 -3.927 434 2HG GLN 54 2HG GLN 54 -9.562 -6.677 -3.746 435 1HE2 GLN 54 2HE2 GLN 54 -9.220 -7.331 -7.275 436 2HE2 GLN 54 1HE2 GLN 54 -9.341 -8.132 -5.744 437 H ILE 55 H ILE 55 -9.052 -7.513 -1.953 438 HA ILE 55 HA ILE 55 -9.843 -5.158 -0.486 439 HB ILE 55 HB ILE 55 -9.299 -5.833 1.637 440 1HG1 ILE 55 1HG1 ILE 55 -7.116 -6.866 0.978 441 2HG1 ILE 55 2HG1 ILE 55 -7.955 -7.687 2.278 442 1HG2 ILE 55 1HG2 ILE 55 -10.572 -8.257 0.338 443 2HG2 ILE 55 2HG2 ILE 55 -10.531 -7.931 2.088 444 3HG2 ILE 55 3HG2 ILE 55 -11.405 -6.829 0.998 445 1HD1 ILE 55 3HD1 ILE 55 -8.862 -9.350 0.649 446 2HD1 ILE 55 1HD1 ILE 55 -7.979 -8.524 -0.658 447 3HD1 ILE 55 2HD1 ILE 55 -7.082 -9.326 0.654 448 H GLN 56 H GLN 56 -8.041 -3.765 -0.036 449 HA GLN 56 HA GLN 56 -5.650 -4.620 -1.474 450 1HB GLN 56 1HB GLN 56 -6.698 -2.827 -2.703 451 2HB GLN 56 2HB GLN 56 -6.960 -1.884 -1.250 452 1HG GLN 56 1HG GLN 56 -4.794 -1.100 -1.196 453 2HG GLN 56 2HG GLN 56 -4.115 -2.624 -1.734 454 1HE2 GLN 56 2HE2 GLN 56 -3.475 -0.237 -4.433 455 2HE2 GLN 56 1HE2 GLN 56 -3.000 -0.531 -2.793 456 H CYS 57 H CYS 57 -3.588 -4.135 -0.544 457 HA CYS 57 HA CYS 57 -3.591 -2.798 2.018 458 1HB CYS 57 1HB CYS 57 -2.070 -4.884 2.775 459 2HB CYS 57 2HB CYS 57 -3.786 -4.774 3.112 460 HG CYS 57 HG CYS 57 -2.155 -6.347 0.714 461 H VAL 58 H VAL 58 -1.372 -2.131 2.611 462 HA VAL 58 HA VAL 58 0.467 -2.318 0.324 463 HB VAL 58 HB VAL 58 0.234 -0.037 2.290 464 1HG1 VAL 58 2HG1 VAL 58 2.208 -0.736 0.394 465 2HG1 VAL 58 3HG1 VAL 58 1.303 0.626 -0.311 466 3HG1 VAL 58 1HG1 VAL 58 2.052 0.791 1.296 467 1HG2 VAL 58 1HG2 VAL 58 -1.310 -0.625 -0.188 468 2HG2 VAL 58 2HG2 VAL 58 -1.766 0.308 1.257 469 3HG2 VAL 58 3HG2 VAL 58 -0.720 1.041 0.018 470 H VAL 59 H VAL 59 1.443 -4.240 1.193 471 HA VAL 59 HA VAL 59 2.551 -4.077 3.854 472 HB VAL 59 HB VAL 59 3.016 -6.337 3.622 473 1HG1 VAL 59 2HG1 VAL 59 0.587 -5.841 3.597 474 2HG1 VAL 59 3HG1 VAL 59 0.610 -5.905 1.818 475 3HG1 VAL 59 1HG1 VAL 59 0.983 -7.364 2.766 476 1HG2 VAL 59 3HG2 VAL 59 3.383 -5.679 0.756 477 2HG2 VAL 59 1HG2 VAL 59 4.265 -6.821 1.798 478 3HG2 VAL 59 2HG2 VAL 59 2.697 -7.285 1.094 479 H GLU 60 H GLU 60 4.984 -4.943 3.978 480 HA GLU 60 HA GLU 60 6.458 -2.973 2.518 481 1HB GLU 60 1HB GLU 60 6.737 -4.408 5.015 482 2HB GLU 60 2HB GLU 60 8.195 -4.644 4.072 483 1HG GLU 60 1HG GLU 60 7.058 -1.855 4.209 484 2HG GLU 60 2HG GLU 60 7.849 -2.481 5.643 485 H ASP 61 H ASP 61 8.887 -3.910 1.911 486 HA ASP 61 HA ASP 61 8.275 -6.069 0.063 487 1HB ASP 61 1HB ASP 61 9.311 -3.610 -0.481 488 2HB ASP 61 2HB ASP 61 10.807 -4.464 -0.155 489 H ASP 62 H ASP 62 9.507 -5.623 3.091 490 HA ASP 62 HA ASP 62 11.179 -7.932 2.854 491 1HB ASP 62 1HB ASP 62 12.504 -5.581 2.636 492 2HB ASP 62 2HB ASP 62 12.387 -5.633 4.383 493 H LYS 63 H LYS 63 8.571 -6.924 4.097 494 HA LYS 63 HA LYS 63 9.251 -7.546 6.883 495 1HB LYS 63 1HB LYS 63 8.407 -5.073 6.050 496 2HB LYS 63 2HB LYS 63 6.884 -5.835 6.460 497 1HG LYS 63 1HG LYS 63 7.321 -5.478 8.654 498 2HG LYS 63 2HG LYS 63 8.689 -6.566 8.543 499 1HD LYS 63 1HD LYS 63 9.730 -4.269 7.393 500 2HD LYS 63 2HD LYS 63 8.637 -3.591 8.582 501 1HE LYS 63 1HE LYS 63 9.830 -4.453 10.390 502 2HE LYS 63 2HE LYS 63 10.378 -5.861 9.502 503 1HZ LYS 63 3HZ LYS 63 11.595 -3.951 8.166 504 2HZ LYS 63 1HZ LYS 63 11.534 -3.232 9.631 505 3HZ LYS 63 2HZ LYS 63 12.262 -4.684 9.464 506 H VAL 64 H VAL 64 6.148 -7.021 5.097 507 HA VAL 64 HA VAL 64 5.436 -9.761 5.870 508 HB VAL 64 HB VAL 64 3.658 -7.412 5.182 509 1HG1 VAL 64 3HG1 VAL 64 3.096 -10.224 6.151 510 2HG1 VAL 64 1HG1 VAL 64 1.926 -8.896 6.339 511 3HG1 VAL 64 2HG1 VAL 64 2.455 -9.393 4.713 512 1HG2 VAL 64 1HG2 VAL 64 5.173 -7.627 7.448 513 2HG2 VAL 64 2HG2 VAL 64 3.614 -6.772 7.345 514 3HG2 VAL 64 3HG2 VAL 64 3.674 -8.446 7.949 515 H GLY 65 H GLY 65 3.881 -10.853 4.267 516 1HA GLY 65 1HA GLY 65 4.591 -10.109 1.495 517 2HA GLY 65 2HA GLY 65 4.736 -11.756 2.076 518 H THR 66 H THR 66 2.896 -13.076 2.300 519 HA THR 66 HA THR 66 0.269 -11.992 2.294 520 HB THR 66 HB THR 66 1.602 -12.723 -0.290 521 HG1 THR 66 1HG THR 66 0.718 -10.594 0.360 522 1HG2 THR 66 2HG2 THR 66 -1.159 -13.690 0.547 523 2HG2 THR 66 3HG2 THR 66 -0.857 -13.184 -1.132 524 3HG2 THR 66 1HG2 THR 66 0.062 -14.538 -0.430 525 H ASP 67 H ASP 67 2.456 -14.780 1.702 526 HA ASP 67 HA ASP 67 0.899 -16.864 1.881 527 1HB ASP 67 1HB ASP 67 2.670 -17.966 3.331 528 2HB ASP 67 2HB ASP 67 3.294 -17.143 1.916 529 H MET 68 H MET 68 1.897 -14.785 4.684 530 HA MET 68 HA MET 68 0.590 -16.278 6.626 531 1HB MET 68 1HB MET 68 2.361 -14.291 6.736 532 2HB MET 68 2HB MET 68 0.949 -13.253 6.758 533 1HG MET 68 1HG MET 68 0.131 -14.879 8.703 534 2HG MET 68 2HG MET 68 1.830 -15.291 8.821 535 1HE MET 68 1HE MET 68 -0.610 -12.628 8.261 536 2HE MET 68 2HE MET 68 -0.406 -11.522 9.641 537 3HE MET 68 3HE MET 68 0.496 -11.239 8.133 538 H LEU 69 H LEU 69 -0.394 -13.159 5.023 539 HA LEU 69 HA LEU 69 -2.816 -12.826 6.194 540 1HB LEU 69 1HB LEU 69 -2.331 -12.342 3.261 541 2HB LEU 69 2HB LEU 69 -3.402 -11.473 4.341 542 HG LEU 69 HG LEU 69 -0.396 -11.351 4.172 543 1HD1 LEU 69 3HD1 LEU 69 -2.443 -9.798 3.098 544 2HD1 LEU 69 1HD1 LEU 69 -1.853 -8.857 4.489 545 3HD1 LEU 69 2HD1 LEU 69 -0.720 -9.370 3.216 546 1HD2 LEU 69 2HD2 LEU 69 -1.201 -11.657 6.575 547 2HD2 LEU 69 3HD2 LEU 69 -0.195 -10.230 6.226 548 3HD2 LEU 69 1HD2 LEU 69 -1.958 -10.055 6.405 549 H GLU 70 H GLU 70 -1.962 -15.017 3.464 550 HA GLU 70 HA GLU 70 -4.531 -15.770 2.844 551 1HB GLU 70 1HB GLU 70 -2.469 -16.272 1.505 552 2HB GLU 70 2HB GLU 70 -2.000 -17.467 2.698 553 1HG GLU 70 1HG GLU 70 -4.634 -18.197 2.126 554 2HG GLU 70 2HG GLU 70 -4.054 -17.637 0.570 555 H GLU 71 H GLU 71 -2.139 -17.370 5.067 556 HA GLU 71 HA GLU 71 -3.964 -19.318 5.888 557 1HB GLU 71 1HB GLU 71 -1.272 -18.342 6.805 558 2HB GLU 71 2HB GLU 71 -2.191 -19.339 7.916 559 1HG GLU 71 1HG GLU 71 -2.316 -20.491 5.242 560 2HG GLU 71 2HG GLU 71 -0.643 -20.201 5.676 561 H GLN 72 H GLN 72 -3.905 -15.980 6.447 562 HA GLN 72 HA GLN 72 -4.995 -16.234 9.117 563 1HB GLN 72 1HB GLN 72 -4.409 -13.708 7.514 564 2HB GLN 72 2HB GLN 72 -4.794 -13.787 9.222 565 1HG GLN 72 1HG GLN 72 -2.565 -15.578 8.611 566 2HG GLN 72 2HG GLN 72 -2.217 -13.963 8.026 567 1HE2 GLN 72 2HE2 GLN 72 -2.124 -12.374 11.182 568 2HE2 GLN 72 1HE2 GLN 72 -2.411 -12.170 9.487 569 H ILE 73 H ILE 73 -5.818 -14.753 5.899 570 HA ILE 73 HA ILE 73 -8.506 -14.252 6.699 571 HB ILE 73 HB ILE 73 -7.298 -14.259 3.932 572 1HG1 ILE 73 1HG1 ILE 73 -7.575 -11.794 5.628 573 2HG1 ILE 73 2HG1 ILE 73 -6.178 -12.831 5.834 574 1HG2 ILE 73 2HG2 ILE 73 -9.794 -14.249 4.102 575 2HG2 ILE 73 3HG2 ILE 73 -9.674 -12.716 5.000 576 3HG2 ILE 73 1HG2 ILE 73 -9.099 -12.811 3.318 577 1HD1 ILE 73 1HD1 ILE 73 -6.911 -12.156 3.007 578 2HD1 ILE 73 2HD1 ILE 73 -6.258 -10.835 4.005 579 3HD1 ILE 73 3HD1 ILE 73 -5.305 -12.318 3.757 580 H THR 74 H THR 74 -7.007 -16.518 4.278 581 HA THR 74 HA THR 74 -9.373 -17.948 3.831 582 HB THR 74 HB THR 74 -6.895 -17.792 2.683 583 HG1 THR 74 1HG THR 74 -7.790 -19.612 1.458 584 1HG2 THR 74 1HG2 THR 74 -6.200 -19.451 4.706 585 2HG2 THR 74 2HG2 THR 74 -6.955 -20.655 3.634 586 3HG2 THR 74 3HG2 THR 74 -5.576 -19.690 3.056 587 H ALA 75 H ALA 75 -7.186 -17.921 6.542 588 HA ALA 75 HA ALA 75 -7.200 -20.412 7.521 589 1HB ALA 75 1HB ALA 75 -6.737 -17.845 8.488 590 2HB ALA 75 2HB ALA 75 -8.024 -18.457 9.554 591 3HB ALA 75 3HB ALA 75 -6.498 -19.359 9.393 592 H PHE 76 H PHE 76 -10.001 -18.276 7.088 593 HA PHE 76 HA PHE 76 -11.688 -20.041 8.642 594 1HB PHE 76 1HB PHE 76 -11.684 -17.315 7.445 595 2HB PHE 76 2HB PHE 76 -13.215 -18.130 7.193 596 HD1 PHE 76 1HD PHE 76 -13.619 -19.635 9.639 597 HD2 PHE 76 2HD PHE 76 -11.988 -15.753 9.117 598 HE1 PHE 76 1HE PHE 76 -14.330 -19.025 11.967 599 HE2 PHE 76 2HE PHE 76 -12.698 -15.142 11.446 600 HZ PHE 76 HZ PHE 76 -13.861 -16.785 12.844 601 H GLU 77 H GLU 77 -11.582 -22.010 7.403 602 HA GLU 77 HA GLU 77 -12.181 -21.949 4.646 603 1HB GLU 77 1HB GLU 77 -11.077 -23.793 6.433 604 2HB GLU 77 2HB GLU 77 -12.616 -24.524 6.022 605 1HG GLU 77 1HG GLU 77 -11.483 -23.484 3.586 606 2HG GLU 77 2HG GLU 77 -10.217 -24.366 4.416 607 H ASP 78 H ASP 78 -14.093 -21.360 7.329 608 HA ASP 78 HA ASP 78 -16.392 -22.750 6.265 609 1HB ASP 78 1HB ASP 78 -15.761 -22.629 8.777 610 2HB ASP 78 2HB ASP 78 -16.260 -20.951 8.721 611 H TYR 79 H TYR 79 -14.875 -20.214 5.174 612 HA TYR 79 HA TYR 79 -17.274 -18.738 4.553 613 1HB TYR 79 1HB TYR 79 -14.855 -17.721 6.150 614 2HB TYR 79 2HB TYR 79 -15.865 -16.602 5.257 615 HD1 TYR 79 2HD TYR 79 -18.582 -17.516 5.743 616 HD2 TYR 79 1HD TYR 79 -15.247 -17.417 8.420 617 HE1 TYR 79 2HE TYR 79 -20.169 -17.375 7.725 618 HE2 TYR 79 1HE TYR 79 -16.844 -17.277 10.393 619 HH TYR 79 HH TYR 79 -20.231 -17.795 10.010 620 H VAL 80 H VAL 80 -13.676 -19.012 4.364 621 HA VAL 80 HA VAL 80 -13.671 -17.645 1.823 622 HB VAL 80 HB VAL 80 -11.517 -18.965 3.483 623 1HG1 VAL 80 2HG1 VAL 80 -11.460 -17.734 0.761 624 2HG1 VAL 80 3HG1 VAL 80 -10.104 -17.385 1.860 625 3HG1 VAL 80 1HG1 VAL 80 -10.497 -19.069 1.438 626 1HG2 VAL 80 1HG2 VAL 80 -12.336 -16.074 3.081 627 2HG2 VAL 80 2HG2 VAL 80 -12.347 -17.014 4.593 628 3HG2 VAL 80 3HG2 VAL 80 -10.800 -16.572 3.831 629 H GLN 81 H GLN 81 -13.961 -18.617 -0.114 630 HA GLN 81 HA GLN 81 -14.178 -21.471 -0.124 631 1HB GLN 81 1HB GLN 81 -15.817 -19.992 -1.310 632 2HB GLN 81 2HB GLN 81 -14.542 -19.458 -2.386 633 1HG GLN 81 1HG GLN 81 -14.288 -22.200 -2.604 634 2HG GLN 81 2HG GLN 81 -16.012 -22.051 -2.329 635 1HE2 GLN 81 2HE2 GLN 81 -16.249 -21.743 -5.812 636 2HE2 GLN 81 1HE2 GLN 81 -16.436 -22.758 -4.420 637 H SER 82 H SER 82 -11.892 -18.950 -1.094 638 HA SER 82 HA SER 82 -9.731 -20.479 -1.208 639 1HB SER 82 1HB SER 82 -11.325 -20.808 -3.717 640 2HB SER 82 2HB SER 82 -9.605 -20.551 -3.936 641 HG SER 82 HG SER 82 -9.298 -22.341 -2.331 642 H MET 83 H MET 83 -8.224 -18.869 -0.992 643 HA MET 83 HA MET 83 -8.838 -16.282 -1.997 644 1HB MET 83 1HB MET 83 -7.729 -16.354 0.135 645 2HB MET 83 2HB MET 83 -6.578 -17.561 -0.402 646 1HG MET 83 1HG MET 83 -5.556 -15.851 -1.957 647 2HG MET 83 2HG MET 83 -6.667 -14.650 -1.331 648 1HE MET 83 1HE MET 83 -3.657 -14.995 -1.636 649 2HE MET 83 2HE MET 83 -2.882 -14.336 -0.175 650 3HE MET 83 3HE MET 83 -2.924 -16.095 -0.444 651 H ASP 84 H ASP 84 -7.280 -14.979 -3.334 652 HA ASP 84 HA ASP 84 -5.506 -16.572 -4.944 653 1HB ASP 84 1HB ASP 84 -8.037 -15.271 -5.914 654 2HB ASP 84 2HB ASP 84 -6.632 -15.118 -6.949 655 H VAL 85 H VAL 85 -4.765 -14.684 -6.852 656 HA VAL 85 HA VAL 85 -4.249 -12.242 -5.304 657 HB VAL 85 HB VAL 85 -2.325 -13.896 -6.944 658 1HG1 VAL 85 3HG1 VAL 85 -2.050 -11.480 -7.426 659 2HG1 VAL 85 1HG1 VAL 85 -1.844 -11.173 -5.686 660 3HG1 VAL 85 2HG1 VAL 85 -0.654 -12.166 -6.560 661 1HG2 VAL 85 3HG2 VAL 85 -2.980 -14.052 -4.256 662 2HG2 VAL 85 1HG2 VAL 85 -1.481 -14.650 -5.008 663 3HG2 VAL 85 2HG2 VAL 85 -1.518 -13.035 -4.263 664 H ALA 86 H ALA 86 -4.887 -10.421 -6.342 665 HA ALA 86 HA ALA 86 -5.830 -10.698 -9.058 666 1HB ALA 86 2HB ALA 86 -7.084 -9.512 -7.210 667 2HB ALA 86 3HB ALA 86 -5.818 -8.261 -7.237 668 3HB ALA 86 1HB ALA 86 -6.829 -8.534 -8.676 669 H ALA 87 H ALA 87 -2.980 -9.646 -7.326 670 HA ALA 87 HA ALA 87 -1.424 -9.377 -9.560 671 1HB ALA 87 2HB ALA 87 -3.208 -7.195 -9.393 672 2HB ALA 87 3HB ALA 87 -1.640 -6.572 -8.825 673 3HB ALA 87 1HB ALA 87 -1.767 -7.332 -10.430 674 H PHE 88 H PHE 88 0.759 -8.988 -8.965 675 HA PHE 88 HA PHE 88 1.152 -8.292 -6.148 676 1HB PHE 88 1HB PHE 88 1.298 -10.862 -7.197 677 2HB PHE 88 2HB PHE 88 2.940 -10.322 -7.484 678 HD1 PHE 88 1HD PHE 88 4.016 -9.088 -5.339 679 HD2 PHE 88 2HD PHE 88 0.901 -11.967 -5.220 680 HE1 PHE 88 1HE PHE 88 4.612 -9.634 -2.962 681 HE2 PHE 88 2HE PHE 88 1.496 -12.513 -2.843 682 HZ PHE 88 HZ PHE 88 3.345 -11.340 -1.744 683 H ASN 89 H ASN 89 1.843 -6.174 -6.791 684 HA ASN 89 HA ASN 89 4.519 -6.235 -7.881 685 1HB ASN 89 1HB ASN 89 3.950 -4.181 -9.290 686 2HB ASN 89 2HB ASN 89 3.202 -5.664 -9.848 687 1HD2 ASN 89 1HD2 ASN 89 2.735 -2.485 -8.843 688 2HD2 ASN 89 2HD2 ASN 89 1.007 -2.454 -8.725 689 H LYS 90 H LYS 90 5.113 -3.521 -7.861 690 HA LYS 90 HA LYS 90 5.038 -2.926 -5.073 691 1HB LYS 90 1HB LYS 90 7.008 -2.521 -6.524 692 2HB LYS 90 2HB LYS 90 6.105 -1.304 -7.404 693 1HG LYS 90 1HG LYS 90 5.960 0.139 -5.493 694 2HG LYS 90 2HG LYS 90 6.395 -1.143 -4.381 695 1HD LYS 90 1HD LYS 90 8.447 -0.669 -6.468 696 2HD LYS 90 2HD LYS 90 8.155 0.735 -5.461 697 1HE LYS 90 1HE LYS 90 8.234 -1.481 -3.669 698 2HE LYS 90 2HE LYS 90 9.552 -1.742 -4.794 699 1HZ LYS 90 2HZ LYS 90 9.101 0.821 -3.439 700 2HZ LYS 90 3HZ LYS 90 10.089 -0.339 -2.853 701 3HZ LYS 90 1HZ LYS 90 10.422 0.371 -4.286 702 H ILE 91 H ILE 91 4.417 -0.729 -4.305 703 HA ILE 91 HA ILE 91 1.774 -0.012 -5.468 704 HB ILE 91 HB ILE 91 1.611 -0.804 -3.190 705 1HG1 ILE 91 1HG1 ILE 91 1.330 1.791 -2.175 706 2HG1 ILE 91 2HG1 ILE 91 1.114 1.989 -3.931 707 1HG2 ILE 91 2HG2 ILE 91 4.160 -0.125 -2.843 708 2HG2 ILE 91 3HG2 ILE 91 3.442 1.373 -2.202 709 3HG2 ILE 91 1HG2 ILE 91 3.041 -0.194 -1.459 710 1HD1 ILE 91 1HD1 ILE 91 -0.414 -0.151 -3.692 711 2HD1 ILE 91 2HD1 ILE 91 -0.490 0.333 -1.981 712 3HD1 ILE 91 3HD1 ILE 91 -1.059 1.447 -3.247 No H/Q in entry = 712 Start of MODEL 10 1 1H MET 1 H MET 1 9.110 2.826 10.540 2 2H MET 1 2HN MET 1 9.666 2.957 12.094 3 3H MET 1 3HN MET 1 9.028 4.279 11.329 4 HA MET 1 HA MET 1 10.934 4.857 10.539 5 1HB MET 1 1HB MET 1 11.754 2.384 12.095 6 2HB MET 1 2HB MET 1 12.933 3.447 11.290 7 1HG MET 1 1HG MET 1 12.247 5.338 12.589 8 2HG MET 1 2HG MET 1 10.831 4.478 13.217 9 1HE MET 1 3HE MET 1 12.485 6.176 14.825 10 2HE MET 1 1HE MET 1 11.621 5.139 15.984 11 3HE MET 1 2HE MET 1 13.379 5.370 16.136 12 H LEU 2 H LEU 2 9.588 1.756 9.675 13 HA LEU 2 HA LEU 2 11.551 1.040 7.772 14 1HB LEU 2 1HB LEU 2 8.771 0.197 8.450 15 2HB LEU 2 2HB LEU 2 9.428 -0.274 6.895 16 HG LEU 2 HG LEU 2 10.793 -0.856 9.535 17 1HD1 LEU 2 1HD1 LEU 2 8.408 -1.914 8.926 18 2HD1 LEU 2 2HD1 LEU 2 9.454 -3.036 8.023 19 3HD1 LEU 2 3HD1 LEU 2 9.684 -2.818 9.774 20 1HD2 LEU 2 2HD2 LEU 2 11.957 -0.817 7.124 21 2HD2 LEU 2 3HD2 LEU 2 12.394 -1.985 8.394 22 3HD2 LEU 2 1HD2 LEU 2 11.287 -2.465 7.083 23 H VAL 3 H VAL 3 11.101 0.947 5.361 24 HA VAL 3 HA VAL 3 9.356 3.066 4.427 25 HB VAL 3 HB VAL 3 12.311 3.037 3.789 26 1HG1 VAL 3 2HG1 VAL 3 9.993 4.777 2.940 27 2HG1 VAL 3 3HG1 VAL 3 11.667 5.383 2.912 28 3HG1 VAL 3 1HG1 VAL 3 11.217 3.964 1.935 29 1HG2 VAL 3 1HG2 VAL 3 10.718 4.693 5.754 30 2HG2 VAL 3 2HG2 VAL 3 12.211 3.764 6.030 31 3HG2 VAL 3 3HG2 VAL 3 12.259 5.260 5.066 32 H ALA 4 H ALA 4 9.471 3.077 1.883 33 HA ALA 4 HA ALA 4 9.176 1.971 -0.009 34 1HB ALA 4 2HB ALA 4 11.180 0.045 1.233 35 2HB ALA 4 3HB ALA 4 10.639 -0.016 -0.462 36 3HB ALA 4 1HB ALA 4 11.535 1.401 0.136 37 H LYS 5 H LYS 5 6.996 1.479 0.099 38 HA LYS 5 HA LYS 5 6.351 -1.089 1.370 39 1HB LYS 5 1HB LYS 5 4.789 1.481 1.131 40 2HB LYS 5 2HB LYS 5 3.981 -0.050 1.400 41 1HG LYS 5 1HG LYS 5 6.325 0.365 3.171 42 2HG LYS 5 2HG LYS 5 5.072 1.571 3.387 43 1HD LYS 5 1HD LYS 5 3.453 -0.559 3.375 44 2HD LYS 5 2HD LYS 5 4.918 -1.419 3.805 45 1HE LYS 5 1HE LYS 5 5.259 0.094 5.752 46 2HE LYS 5 2HE LYS 5 3.834 1.013 5.307 47 1HZ LYS 5 2HZ LYS 5 2.561 -1.053 5.561 48 2HZ LYS 5 3HZ LYS 5 3.898 -1.813 6.107 49 3HZ LYS 5 1HZ LYS 5 3.261 -0.569 6.954 50 H SER 6 H SER 6 4.206 -2.019 0.278 51 HA SER 6 HA SER 6 4.263 -1.522 -2.560 52 1HB SER 6 1HB SER 6 5.902 -3.306 -2.360 53 2HB SER 6 2HB SER 6 4.857 -4.228 -1.298 54 HG SER 6 HG SER 6 3.317 -4.375 -3.123 55 H SER 7 H SER 7 2.372 -2.700 -3.668 56 HA SER 7 HA SER 7 0.191 -2.843 -1.745 57 1HB SER 7 1HB SER 7 -1.042 -2.663 -4.193 58 2HB SER 7 2HB SER 7 -0.665 -1.289 -3.171 59 HG SER 7 HG SER 7 0.088 -1.249 -5.506 60 H ILE 8 H ILE 8 -1.293 -4.626 -1.827 61 HA ILE 8 HA ILE 8 -0.725 -6.712 -3.769 62 HB ILE 8 HB ILE 8 -0.493 -7.069 -0.783 63 1HG1 ILE 8 1HG1 ILE 8 1.679 -8.262 -1.851 64 2HG1 ILE 8 2HG1 ILE 8 1.413 -7.029 -3.068 65 1HG2 ILE 8 2HG2 ILE 8 -1.646 -8.874 -2.600 66 2HG2 ILE 8 3HG2 ILE 8 0.005 -9.470 -2.307 67 3HG2 ILE 8 1HG2 ILE 8 -1.099 -9.198 -0.938 68 1HD1 ILE 8 2HD1 ILE 8 1.172 -5.382 -1.033 69 2HD1 ILE 8 3HD1 ILE 8 1.976 -6.675 -0.110 70 3HD1 ILE 8 1HD1 ILE 8 2.799 -5.932 -1.503 71 H LEU 9 H LEU 9 -2.718 -6.535 -4.746 72 HA LEU 9 HA LEU 9 -5.064 -6.348 -3.063 73 1HB LEU 9 1HB LEU 9 -4.774 -4.995 -5.120 74 2HB LEU 9 2HB LEU 9 -4.798 -6.466 -6.070 75 HG LEU 9 HG LEU 9 -7.117 -6.904 -5.073 76 1HD1 LEU 9 1HD1 LEU 9 -6.777 -5.176 -3.239 77 2HD1 LEU 9 2HD1 LEU 9 -7.087 -3.942 -4.484 78 3HD1 LEU 9 3HD1 LEU 9 -8.339 -5.146 -4.092 79 1HD2 LEU 9 3HD2 LEU 9 -6.349 -4.897 -7.126 80 2HD2 LEU 9 1HD2 LEU 9 -7.299 -6.395 -7.274 81 3HD2 LEU 9 2HD2 LEU 9 -8.053 -4.924 -6.614 82 H LEU 10 H LEU 10 -6.272 -8.048 -2.399 83 HA LEU 10 HA LEU 10 -5.650 -10.631 -3.646 84 1HB LEU 10 1HB LEU 10 -6.269 -9.782 -0.855 85 2HB LEU 10 2HB LEU 10 -6.797 -11.369 -1.374 86 HG LEU 10 HG LEU 10 -4.472 -11.954 -1.970 87 1HD1 LEU 10 1HD1 LEU 10 -3.623 -9.743 -2.522 88 2HD1 LEU 10 2HD1 LEU 10 -3.780 -9.235 -0.823 89 3HD1 LEU 10 3HD1 LEU 10 -2.615 -10.505 -1.269 90 1HD2 LEU 10 1HD2 LEU 10 -5.609 -11.758 0.573 91 2HD2 LEU 10 2HD2 LEU 10 -4.222 -12.760 0.085 92 3HD2 LEU 10 3HD2 LEU 10 -3.951 -11.137 0.763 93 H ASP 11 H ASP 11 -7.424 -12.111 -4.057 94 HA ASP 11 HA ASP 11 -9.985 -10.726 -4.178 95 1HB ASP 11 1HB ASP 11 -8.373 -11.900 -6.335 96 2HB ASP 11 2HB ASP 11 -9.953 -12.652 -6.257 97 H VAL 12 H VAL 12 -10.523 -11.909 -2.164 98 HA VAL 12 HA VAL 12 -10.430 -14.800 -2.278 99 HB VAL 12 HB VAL 12 -11.559 -13.042 -0.103 100 1HG1 VAL 12 2HG1 VAL 12 -11.539 -15.787 -0.396 101 2HG1 VAL 12 3HG1 VAL 12 -10.102 -15.490 0.612 102 3HG1 VAL 12 1HG1 VAL 12 -11.697 -14.906 1.142 103 1HG2 VAL 12 1HG2 VAL 12 -8.769 -13.349 -0.983 104 2HG2 VAL 12 2HG2 VAL 12 -9.512 -12.130 0.079 105 3HG2 VAL 12 3HG2 VAL 12 -9.025 -13.707 0.741 106 H LYS 13 H LYS 13 -12.258 -16.169 -2.294 107 HA LYS 13 HA LYS 13 -14.721 -14.790 -3.107 108 1HB LYS 13 1HB LYS 13 -13.251 -16.568 -4.575 109 2HB LYS 13 2HB LYS 13 -14.393 -17.646 -3.797 110 1HG LYS 13 1HG LYS 13 -16.119 -16.899 -5.079 111 2HG LYS 13 2HG LYS 13 -15.744 -15.222 -4.739 112 1HD LYS 13 1HD LYS 13 -13.943 -15.267 -6.473 113 2HD LYS 13 2HD LYS 13 -14.305 -16.948 -6.810 114 1HE LYS 13 1HE LYS 13 -16.763 -15.387 -6.928 115 2HE LYS 13 2HE LYS 13 -15.548 -14.640 -7.947 116 1HZ LYS 13 3HZ LYS 13 -15.896 -17.522 -8.085 117 2HZ LYS 13 1HZ LYS 13 -16.987 -16.564 -8.833 118 3HZ LYS 13 2HZ LYS 13 -15.410 -16.482 -9.248 119 HA PRO 14 HA PRO 14 -16.400 -16.451 0.529 120 1HB PRO 14 1HB PRO 14 -19.005 -15.717 0.147 121 2HB PRO 14 2HB PRO 14 -17.789 -14.633 0.794 122 1HG PRO 14 1HG PRO 14 -18.985 -14.676 -1.910 123 2HG PRO 14 2HG PRO 14 -18.111 -13.380 -1.116 124 1HD PRO 14 1HD PRO 14 -17.108 -15.131 -3.155 125 2HD PRO 14 2HD PRO 14 -16.202 -13.913 -2.281 126 H TRP 15 H TRP 15 -17.899 -18.064 1.401 127 HA TRP 15 HA TRP 15 -17.870 -20.306 -0.318 128 1HB TRP 15 1HB TRP 15 -18.440 -19.713 2.454 129 2HB TRP 15 2HB TRP 15 -19.642 -20.805 1.797 130 HD1 TRP 15 HD TRP 15 -16.891 -21.355 3.808 131 HE1 TRP 15 1HE TRP 15 -15.439 -23.508 3.337 132 HE3 TRP 15 3HE TRP 15 -18.569 -22.090 -0.936 133 HZ2 TRP 15 2HZ TRP 15 -15.162 -25.238 1.085 134 HZ3 TRP 15 3HZ TRP 15 -17.657 -24.035 -2.201 135 HH2 TRP 15 HH TRP 15 -16.011 -25.580 -1.265 136 H ASP 16 H ASP 16 -20.189 -17.731 0.507 137 HA ASP 16 HA ASP 16 -21.670 -18.083 -1.752 138 1HB ASP 16 1HB ASP 16 -22.360 -20.001 0.300 139 2HB ASP 16 2HB ASP 16 -23.690 -18.870 0.153 140 H ASP 17 H ASP 17 -24.208 -17.156 -1.022 141 HA ASP 17 HA ASP 17 -23.717 -14.559 -0.308 142 1HB ASP 17 1HB ASP 17 -25.752 -14.849 -1.409 143 2HB ASP 17 2HB ASP 17 -26.138 -16.319 -0.537 144 H GLU 18 H GLU 18 -24.111 -17.474 1.607 145 HA GLU 18 HA GLU 18 -25.101 -16.276 3.937 146 1HB GLU 18 1HB GLU 18 -24.500 -18.404 5.020 147 2HB GLU 18 2HB GLU 18 -25.271 -18.704 3.475 148 1HG GLU 18 1HG GLU 18 -22.979 -18.935 2.424 149 2HG GLU 18 2HG GLU 18 -22.264 -18.746 4.013 150 H THR 19 H THR 19 -21.821 -16.881 2.616 151 HA THR 19 HA THR 19 -20.263 -16.486 4.821 152 HB THR 19 HB THR 19 -19.914 -15.589 1.915 153 HG1 THR 19 1HG THR 19 -18.991 -17.828 3.576 154 1HG2 THR 19 3HG2 THR 19 -17.926 -15.856 4.224 155 2HG2 THR 19 1HG2 THR 19 -17.430 -15.931 2.516 156 3HG2 THR 19 2HG2 THR 19 -18.167 -14.447 3.163 157 H ASP 20 H ASP 20 -20.495 -15.029 6.403 158 HA ASP 20 HA ASP 20 -21.785 -12.651 6.149 159 1HB ASP 20 1HB ASP 20 -20.677 -14.029 8.208 160 2HB ASP 20 2HB ASP 20 -19.441 -12.800 8.031 161 H MET 21 H MET 21 -21.088 -11.407 4.304 162 HA MET 21 HA MET 21 -18.458 -11.011 3.606 163 1HB MET 21 1HB MET 21 -21.044 -9.447 3.171 164 2HB MET 21 2HB MET 21 -19.537 -8.854 2.502 165 1HG MET 21 1HG MET 21 -19.470 -11.520 1.726 166 2HG MET 21 2HG MET 21 -21.188 -11.182 1.663 167 1HE MET 21 1HE MET 21 -18.378 -11.589 -0.148 168 2HE MET 21 2HE MET 21 -19.756 -11.775 -1.260 169 3HE MET 21 3HE MET 21 -18.491 -10.572 -1.606 170 H ALA 22 H ALA 22 -20.625 -9.127 5.787 171 HA ALA 22 HA ALA 22 -18.950 -6.938 6.154 172 1HB ALA 22 2HB ALA 22 -21.151 -8.265 7.743 173 2HB ALA 22 3HB ALA 22 -20.260 -6.880 8.419 174 3HB ALA 22 1HB ALA 22 -21.160 -6.701 6.895 175 H LYS 23 H LYS 23 -19.105 -10.155 7.773 176 HA LYS 23 HA LYS 23 -17.154 -9.494 9.714 177 1HB LYS 23 1HB LYS 23 -18.999 -11.402 9.578 178 2HB LYS 23 2HB LYS 23 -17.682 -12.318 8.874 179 1HG LYS 23 1HG LYS 23 -16.874 -12.692 10.956 180 2HG LYS 23 2HG LYS 23 -16.541 -10.978 11.107 181 1HD LYS 23 1HD LYS 23 -19.141 -10.828 11.692 182 2HD LYS 23 2HD LYS 23 -18.955 -12.531 12.064 183 1HE LYS 23 1HE LYS 23 -17.986 -12.030 14.052 184 2HE LYS 23 2HE LYS 23 -16.726 -11.118 13.245 185 1HZ LYS 23 1HZ LYS 23 -18.292 -9.248 13.161 186 2HZ LYS 23 2HZ LYS 23 -19.363 -10.104 14.049 187 3HZ LYS 23 3HZ LYS 23 -17.918 -9.691 14.688 188 H LEU 24 H LEU 24 -17.053 -11.438 6.647 189 HA LEU 24 HA LEU 24 -14.336 -11.958 6.726 190 1HB LEU 24 1HB LEU 24 -16.411 -12.655 5.144 191 2HB LEU 24 2HB LEU 24 -15.596 -11.520 4.085 192 HG LEU 24 HG LEU 24 -14.152 -13.828 5.400 193 1HD1 LEU 24 3HD1 LEU 24 -16.136 -14.545 3.977 194 2HD1 LEU 24 1HD1 LEU 24 -15.248 -13.878 2.586 195 3HD1 LEU 24 2HD1 LEU 24 -14.545 -15.211 3.535 196 1HD2 LEU 24 3HD2 LEU 24 -13.317 -11.606 3.812 197 2HD2 LEU 24 1HD2 LEU 24 -12.344 -12.937 4.481 198 3HD2 LEU 24 2HD2 LEU 24 -13.082 -13.097 2.870 199 H GLU 25 H GLU 25 -16.165 -9.124 5.469 200 HA GLU 25 HA GLU 25 -13.898 -7.926 4.340 201 1HB GLU 25 1HB GLU 25 -16.382 -7.463 3.837 202 2HB GLU 25 2HB GLU 25 -16.407 -6.494 5.297 203 1HG GLU 25 1HG GLU 25 -14.198 -5.417 4.150 204 2HG GLU 25 2HG GLU 25 -14.995 -5.974 2.692 205 H GLU 26 H GLU 26 -15.624 -7.553 7.497 206 HA GLU 26 HA GLU 26 -13.998 -5.477 8.396 207 1HB GLU 26 1HB GLU 26 -15.858 -7.458 9.730 208 2HB GLU 26 2HB GLU 26 -14.883 -6.386 10.714 209 1HG GLU 26 1HG GLU 26 -16.414 -5.165 8.423 210 2HG GLU 26 2HG GLU 26 -17.328 -5.676 9.827 211 H CYS 27 H CYS 27 -14.058 -8.978 9.410 212 HA CYS 27 HA CYS 27 -11.914 -9.040 10.997 213 1HB CYS 27 1HB CYS 27 -13.506 -10.940 9.909 214 2HB CYS 27 2HB CYS 27 -12.027 -11.272 9.032 215 HG CYS 27 HG CYS 27 -12.903 -11.879 11.997 216 H VAL 28 H VAL 28 -11.842 -9.520 7.384 217 HA VAL 28 HA VAL 28 -9.222 -9.792 6.935 218 HB VAL 28 HB VAL 28 -11.452 -8.453 5.495 219 1HG1 VAL 28 3HG1 VAL 28 -8.570 -7.902 4.981 220 2HG1 VAL 28 1HG1 VAL 28 -9.589 -8.256 3.566 221 3HG1 VAL 28 2HG1 VAL 28 -10.008 -6.907 4.649 222 1HG2 VAL 28 3HG2 VAL 28 -10.375 -11.009 5.578 223 2HG2 VAL 28 1HG2 VAL 28 -11.500 -10.379 4.352 224 3HG2 VAL 28 2HG2 VAL 28 -9.747 -10.343 4.051 225 H ARG 29 H ARG 29 -10.931 -6.684 7.625 226 HA ARG 29 HA ARG 29 -8.555 -5.197 7.370 227 1HB ARG 29 1HB ARG 29 -11.354 -4.644 8.401 228 2HB ARG 29 2HB ARG 29 -10.092 -3.462 8.690 229 1HG ARG 29 1HG ARG 29 -9.686 -3.169 6.320 230 2HG ARG 29 2HG ARG 29 -10.640 -4.580 5.908 231 1HD ARG 29 1HD ARG 29 -12.460 -3.240 5.694 232 2HD ARG 29 2HD ARG 29 -12.389 -2.915 7.415 233 HE ARG 29 HE ARG 29 -10.472 -1.286 5.967 234 1HH1 ARG 29 1HH2 ARG 29 -14.186 0.151 6.616 235 2HH1 ARG 29 2HH2 ARG 29 -13.886 -1.547 6.781 236 1HH2 ARG 29 2HH1 ARG 29 -10.868 0.955 5.750 237 2HH2 ARG 29 1HH1 ARG 29 -12.459 1.583 6.027 238 H SER 30 H SER 30 -10.510 -6.520 10.110 239 HA SER 30 HA SER 30 -9.254 -5.339 12.188 240 1HB SER 30 1HB SER 30 -10.223 -7.000 13.536 241 2HB SER 30 2HB SER 30 -11.232 -7.045 12.104 242 HG SER 30 HG SER 30 -9.375 -8.950 13.074 243 H ILE 31 H ILE 31 -8.185 -8.122 10.185 244 HA ILE 31 HA ILE 31 -6.187 -9.166 11.683 245 HB ILE 31 HB ILE 31 -6.295 -8.646 8.712 246 1HG1 ILE 31 1HG1 ILE 31 -6.876 -11.189 10.251 247 2HG1 ILE 31 2HG1 ILE 31 -8.113 -10.032 9.799 248 1HG2 ILE 31 2HG2 ILE 31 -4.023 -9.344 10.138 249 2HG2 ILE 31 3HG2 ILE 31 -4.663 -10.904 9.570 250 3HG2 ILE 31 1HG2 ILE 31 -4.311 -9.608 8.401 251 1HD1 ILE 31 2HD1 ILE 31 -7.315 -10.259 7.379 252 2HD1 ILE 31 3HD1 ILE 31 -6.293 -11.609 7.930 253 3HD1 ILE 31 1HD1 ILE 31 -8.065 -11.718 8.071 254 H GLN 32 H GLN 32 -4.324 -8.462 12.589 255 HA GLN 32 HA GLN 32 -3.167 -6.056 11.429 256 1HB GLN 32 1HB GLN 32 -4.415 -6.252 13.986 257 2HB GLN 32 2HB GLN 32 -2.692 -6.168 14.295 258 1HG GLN 32 1HG GLN 32 -2.522 -4.131 12.865 259 2HG GLN 32 2HG GLN 32 -4.238 -4.223 12.515 260 1HE2 GLN 32 2HE2 GLN 32 -3.422 -1.823 15.341 261 2HE2 GLN 32 1HE2 GLN 32 -2.750 -2.095 13.767 262 H ALA 33 H ALA 33 -1.064 -6.383 10.844 263 HA ALA 33 HA ALA 33 0.443 -8.389 12.370 264 1HB ALA 33 2HB ALA 33 0.354 -8.003 9.350 265 2HB ALA 33 3HB ALA 33 1.477 -9.083 10.211 266 3HB ALA 33 1HB ALA 33 -0.274 -9.398 10.259 267 H ASP 34 H ASP 34 2.905 -8.098 11.889 268 HA ASP 34 HA ASP 34 3.520 -5.476 12.607 269 1HB ASP 34 1HB ASP 34 4.825 -7.604 13.154 270 2HB ASP 34 2HB ASP 34 5.401 -7.611 11.498 271 H GLY 35 H GLY 35 4.556 -3.797 11.343 272 1HA GLY 35 1HA GLY 35 4.776 -2.554 9.469 273 2HA GLY 35 2HA GLY 35 5.720 -3.917 8.903 274 H LEU 36 H LEU 36 2.277 -4.342 9.661 275 HA LEU 36 HA LEU 36 1.795 -4.655 6.785 276 1HB LEU 36 1HB LEU 36 1.489 -6.713 7.861 277 2HB LEU 36 2HB LEU 36 0.657 -5.991 9.224 278 HG LEU 36 HG LEU 36 -0.634 -5.700 6.553 279 1HD1 LEU 36 3HD1 LEU 36 0.324 -8.187 7.159 280 2HD1 LEU 36 1HD1 LEU 36 -1.308 -8.242 7.870 281 3HD1 LEU 36 2HD1 LEU 36 -1.101 -7.853 6.145 282 1HD2 LEU 36 3HD2 LEU 36 -1.339 -5.225 9.216 283 2HD2 LEU 36 1HD2 LEU 36 -2.399 -5.160 7.788 284 3HD2 LEU 36 2HD2 LEU 36 -2.276 -6.660 8.738 285 H VAL 37 H VAL 37 0.411 -3.290 5.766 286 HA VAL 37 HA VAL 37 -1.213 -1.568 7.508 287 HB VAL 37 HB VAL 37 0.447 -1.007 5.081 288 1HG1 VAL 37 1HG1 VAL 37 -1.788 -0.268 4.430 289 2HG1 VAL 37 2HG1 VAL 37 -1.954 0.635 5.955 290 3HG1 VAL 37 3HG1 VAL 37 -0.739 1.132 4.753 291 1HG2 VAL 37 1HG2 VAL 37 0.844 -0.531 7.730 292 2HG2 VAL 37 2HG2 VAL 37 1.556 0.441 6.419 293 3HG2 VAL 37 3HG2 VAL 37 0.072 0.994 7.232 294 H TRP 38 H TRP 38 -3.375 -1.187 6.893 295 HA TRP 38 HA TRP 38 -4.320 -3.021 4.802 296 1HB TRP 38 1HB TRP 38 -5.373 -2.222 7.461 297 2HB TRP 38 2HB TRP 38 -6.548 -2.441 6.179 298 HD1 TRP 38 HD TRP 38 -5.232 -4.423 8.846 299 HE1 TRP 38 1HE TRP 38 -5.241 -7.031 8.439 300 HE3 TRP 38 3HE TRP 38 -5.856 -4.164 3.806 301 HZ2 TRP 38 2HZ TRP 38 -5.502 -8.655 6.108 302 HZ3 TRP 38 3HZ TRP 38 -5.977 -6.308 2.539 303 HH2 TRP 38 HH TRP 38 -5.811 -8.498 3.609 304 H GLY 39 H GLY 39 -4.571 -1.886 2.914 305 1HA GLY 39 1HA GLY 39 -5.032 0.947 2.915 306 2HA GLY 39 2HA GLY 39 -4.937 -0.125 1.532 307 H SER 40 H SER 40 -6.788 0.246 0.359 308 HA SER 40 HA SER 40 -9.272 0.200 1.885 309 1HB SER 40 1HB SER 40 -8.784 2.329 0.652 310 2HB SER 40 2HB SER 40 -8.732 1.434 -0.853 311 HG SER 40 HG SER 40 -10.965 2.104 0.785 312 H SER 41 H SER 41 -10.839 -1.343 1.351 313 HA SER 41 HA SER 41 -9.945 -3.370 -0.471 314 1HB SER 41 1HB SER 41 -11.831 -4.684 0.425 315 2HB SER 41 2HB SER 41 -10.872 -4.012 1.728 316 HG SER 41 HG SER 41 -12.631 -3.044 2.442 317 H LYS 42 H LYS 42 -11.791 -4.401 -1.923 318 HA LYS 42 HA LYS 42 -13.513 -2.292 -2.988 319 1HB LYS 42 1HB LYS 42 -11.987 -4.055 -4.886 320 2HB LYS 42 2HB LYS 42 -12.773 -2.517 -5.185 321 1HG LYS 42 1HG LYS 42 -11.042 -1.492 -3.538 322 2HG LYS 42 2HG LYS 42 -10.182 -3.014 -3.663 323 1HD LYS 42 1HD LYS 42 -9.255 -1.431 -5.291 324 2HD LYS 42 2HD LYS 42 -10.052 -2.735 -6.149 325 1HE LYS 42 1HE LYS 42 -11.394 -1.238 -7.197 326 2HE LYS 42 2HE LYS 42 -12.050 -0.732 -5.653 327 1HZ LYS 42 1HZ LYS 42 -9.572 0.309 -6.843 328 2HZ LYS 42 2HZ LYS 42 -11.013 1.079 -6.837 329 3HZ LYS 42 3HZ LYS 42 -10.230 0.803 -5.431 330 H LEU 43 H LEU 43 -15.340 -3.155 -4.258 331 HA LEU 43 HA LEU 43 -15.879 -5.955 -3.548 332 1HB LEU 43 1HB LEU 43 -17.431 -3.492 -3.073 333 2HB LEU 43 2HB LEU 43 -18.349 -4.835 -3.727 334 HG LEU 43 HG LEU 43 -18.561 -4.932 -1.371 335 1HD1 LEU 43 2HD1 LEU 43 -18.041 -7.081 -2.652 336 2HD1 LEU 43 3HD1 LEU 43 -16.423 -6.992 -1.916 337 3HD1 LEU 43 1HD1 LEU 43 -17.867 -7.120 -0.881 338 1HD2 LEU 43 3HD2 LEU 43 -15.935 -3.839 -1.355 339 2HD2 LEU 43 1HD2 LEU 43 -17.063 -4.055 0.005 340 3HD2 LEU 43 2HD2 LEU 43 -15.908 -5.344 -0.406 341 H VAL 44 H VAL 44 -17.104 -7.186 -5.095 342 HA VAL 44 HA VAL 44 -17.742 -5.938 -7.605 343 HB VAL 44 HB VAL 44 -15.455 -7.884 -7.311 344 1HG1 VAL 44 3HG1 VAL 44 -17.217 -7.318 -9.681 345 2HG1 VAL 44 1HG1 VAL 44 -15.492 -7.682 -9.926 346 3HG1 VAL 44 2HG1 VAL 44 -16.544 -8.862 -9.108 347 1HG2 VAL 44 1HG2 VAL 44 -15.715 -5.124 -8.543 348 2HG2 VAL 44 2HG2 VAL 44 -14.767 -5.589 -7.111 349 3HG2 VAL 44 3HG2 VAL 44 -14.286 -6.169 -8.723 350 HA PRO 45 HA PRO 45 -20.566 -9.205 -6.660 351 1HB PRO 45 1HB PRO 45 -22.731 -8.108 -7.917 352 2HB PRO 45 2HB PRO 45 -22.333 -7.789 -6.240 353 1HG PRO 45 1HG PRO 45 -21.980 -6.037 -8.594 354 2HG PRO 45 2HG PRO 45 -21.993 -5.605 -6.896 355 1HD PRO 45 1HD PRO 45 -19.690 -5.840 -8.589 356 2HD PRO 45 2HD PRO 45 -19.696 -5.521 -6.865 357 H VAL 46 H VAL 46 -21.869 -10.798 -7.876 358 HA VAL 46 HA VAL 46 -20.651 -11.020 -10.538 359 HB VAL 46 HB VAL 46 -21.587 -13.482 -10.049 360 1HG1 VAL 46 3HG1 VAL 46 -19.030 -12.123 -9.854 361 2HG1 VAL 46 1HG1 VAL 46 -19.110 -13.500 -8.729 362 3HG1 VAL 46 2HG1 VAL 46 -19.409 -13.750 -10.466 363 1HG2 VAL 46 2HG2 VAL 46 -22.486 -12.852 -7.828 364 2HG2 VAL 46 3HG2 VAL 46 -21.237 -14.116 -7.722 365 3HG2 VAL 46 1HG2 VAL 46 -20.839 -12.433 -7.297 366 H GLY 47 H GLY 47 -23.651 -10.869 -8.646 367 1HA GLY 47 1HA GLY 47 -25.171 -10.224 -10.972 368 2HA GLY 47 2HA GLY 47 -25.505 -11.855 -10.426 369 H TYR 48 H TYR 48 -26.534 -12.228 -8.384 370 HA TYR 48 HA TYR 48 -27.169 -9.937 -6.742 371 1HB TYR 48 1HB TYR 48 -28.871 -11.002 -8.865 372 2HB TYR 48 2HB TYR 48 -29.611 -11.429 -7.335 373 HD1 TYR 48 1HD TYR 48 -30.403 -9.674 -5.783 374 HD2 TYR 48 2HD TYR 48 -28.764 -8.693 -9.611 375 HE1 TYR 48 1HE TYR 48 -31.387 -7.335 -5.614 376 HE2 TYR 48 2HE TYR 48 -29.754 -6.359 -9.429 377 HH TYR 48 HH TYR 48 -30.508 -4.914 -6.921 378 H GLY 49 H GLY 49 -26.049 -11.056 -5.075 379 1HA GLY 49 1HA GLY 49 -27.297 -12.436 -3.223 380 2HA GLY 49 2HA GLY 49 -27.009 -13.729 -4.370 381 H ILE 50 H ILE 50 -24.587 -13.673 -5.319 382 HA ILE 50 HA ILE 50 -22.896 -13.656 -2.945 383 HB ILE 50 HB ILE 50 -22.834 -15.043 -5.597 384 1HG1 ILE 50 1HG1 ILE 50 -22.102 -16.788 -3.575 385 2HG1 ILE 50 2HG1 ILE 50 -23.260 -15.740 -2.781 386 1HG2 ILE 50 1HG2 ILE 50 -20.602 -14.068 -5.355 387 2HG2 ILE 50 2HG2 ILE 50 -20.463 -14.776 -3.728 388 3HG2 ILE 50 3HG2 ILE 50 -20.566 -15.836 -5.152 389 1HD1 ILE 50 2HD1 ILE 50 -24.467 -16.198 -5.256 390 2HD1 ILE 50 3HD1 ILE 50 -23.699 -17.760 -4.882 391 3HD1 ILE 50 1HD1 ILE 50 -24.860 -17.043 -3.739 392 H LYS 51 H LYS 51 -20.586 -12.884 -3.241 393 HA LYS 51 HA LYS 51 -20.209 -10.925 -5.313 394 1HB LYS 51 1HB LYS 51 -20.680 -10.127 -2.443 395 2HB LYS 51 2HB LYS 51 -19.676 -9.155 -3.499 396 1HG LYS 51 1HG LYS 51 -21.653 -8.162 -4.091 397 2HG LYS 51 2HG LYS 51 -21.833 -9.551 -5.145 398 1HD LYS 51 1HD LYS 51 -23.677 -10.202 -4.001 399 2HD LYS 51 2HD LYS 51 -22.730 -10.359 -2.535 400 1HE LYS 51 1HE LYS 51 -23.464 -7.560 -3.319 401 2HE LYS 51 2HE LYS 51 -24.793 -8.585 -2.813 402 1HZ LYS 51 2HZ LYS 51 -22.807 -9.054 -1.013 403 2HZ LYS 51 3HZ LYS 51 -22.753 -7.439 -1.249 404 3HZ LYS 51 1HZ LYS 51 -24.143 -8.148 -0.768 405 H LYS 52 H LYS 52 -17.949 -10.061 -5.268 406 HA LYS 52 HA LYS 52 -16.193 -12.181 -4.396 407 1HB LYS 52 1HB LYS 52 -16.284 -10.509 -6.607 408 2HB LYS 52 2HB LYS 52 -14.974 -9.835 -5.661 409 1HG LYS 52 1HG LYS 52 -14.010 -12.185 -5.449 410 2HG LYS 52 2HG LYS 52 -15.253 -12.743 -6.550 411 1HD LYS 52 1HD LYS 52 -13.966 -10.397 -7.687 412 2HD LYS 52 2HD LYS 52 -12.734 -11.548 -7.207 413 1HE LYS 52 1HE LYS 52 -13.646 -13.283 -8.594 414 2HE LYS 52 2HE LYS 52 -15.175 -12.448 -8.783 415 1HZ LYS 52 1HZ LYS 52 -13.858 -10.675 -9.919 416 2HZ LYS 52 2HZ LYS 52 -12.591 -11.705 -9.946 417 3HZ LYS 52 3HZ LYS 52 -13.972 -12.088 -10.728 418 H LEU 53 H LEU 53 -14.364 -11.883 -3.000 419 HA LEU 53 HA LEU 53 -14.749 -9.611 -1.181 420 1HB LEU 53 1HB LEU 53 -14.664 -12.383 -0.710 421 2HB LEU 53 2HB LEU 53 -13.144 -11.752 -0.110 422 HG LEU 53 HG LEU 53 -15.103 -11.913 1.524 423 1HD1 LEU 53 1HD1 LEU 53 -13.009 -10.694 1.975 424 2HD1 LEU 53 2HD1 LEU 53 -13.717 -9.232 1.246 425 3HD1 LEU 53 3HD1 LEU 53 -14.424 -9.919 2.728 426 1HD2 LEU 53 1HD2 LEU 53 -16.495 -10.558 -0.395 427 2HD2 LEU 53 2HD2 LEU 53 -16.953 -10.665 1.321 428 3HD2 LEU 53 3HD2 LEU 53 -16.059 -9.246 0.726 429 H GLN 54 H GLN 54 -13.514 -8.313 -2.799 430 HA GLN 54 HA GLN 54 -10.716 -9.046 -2.901 431 1HB GLN 54 1HB GLN 54 -11.667 -8.452 -5.042 432 2HB GLN 54 2HB GLN 54 -12.382 -6.987 -4.398 433 1HG GLN 54 1HG GLN 54 -10.364 -5.825 -4.391 434 2HG GLN 54 2HG GLN 54 -9.407 -7.263 -4.095 435 1HE2 GLN 54 2HE2 GLN 54 -8.657 -7.934 -7.408 436 2HE2 GLN 54 1HE2 GLN 54 -8.463 -8.290 -5.724 437 H ILE 55 H ILE 55 -9.071 -7.828 -1.926 438 HA ILE 55 HA ILE 55 -9.787 -5.304 -0.700 439 HB ILE 55 HB ILE 55 -9.487 -5.868 1.476 440 1HG1 ILE 55 1HG1 ILE 55 -7.226 -6.873 1.074 441 2HG1 ILE 55 2HG1 ILE 55 -8.148 -7.621 2.362 442 1HG2 ILE 55 3HG2 ILE 55 -11.488 -7.015 0.614 443 2HG2 ILE 55 1HG2 ILE 55 -10.518 -8.482 0.342 444 3HG2 ILE 55 2HG2 ILE 55 -10.761 -7.869 1.995 445 1HD1 ILE 55 2HD1 ILE 55 -7.965 -8.679 -0.498 446 2HD1 ILE 55 3HD1 ILE 55 -7.069 -9.321 0.901 447 3HD1 ILE 55 1HD1 ILE 55 -8.844 -9.452 0.844 448 H GLN 56 H GLN 56 -7.857 -4.079 -0.020 449 HA GLN 56 HA GLN 56 -5.485 -5.107 -1.375 450 1HB GLN 56 1HB GLN 56 -6.409 -3.270 -2.682 451 2HB GLN 56 2HB GLN 56 -6.553 -2.256 -1.259 452 1HG GLN 56 1HG GLN 56 -4.546 -1.448 -2.121 453 2HG GLN 56 2HG GLN 56 -3.932 -2.687 -1.045 454 1HE2 GLN 56 1HE2 GLN 56 -4.960 -2.060 -4.371 455 2HE2 GLN 56 2HE2 GLN 56 -3.905 -3.189 -5.155 456 H CYS 57 H CYS 57 -3.469 -4.826 -0.318 457 HA CYS 57 HA CYS 57 -3.639 -3.580 2.324 458 1HB CYS 57 1HB CYS 57 -1.908 -5.476 2.945 459 2HB CYS 57 2HB CYS 57 -3.634 -5.751 3.060 460 HG CYS 57 HG CYS 57 -1.963 -6.228 0.259 461 H VAL 58 H VAL 58 -1.355 -3.002 3.135 462 HA VAL 58 HA VAL 58 0.417 -2.483 0.850 463 HB VAL 58 HB VAL 58 -0.062 -0.640 3.197 464 1HG1 VAL 58 3HG1 VAL 58 1.830 -0.700 0.959 465 2HG1 VAL 58 1HG1 VAL 58 0.932 0.833 1.072 466 3HG1 VAL 58 2HG1 VAL 58 1.867 0.244 2.468 467 1HG2 VAL 58 3HG2 VAL 58 -1.270 -0.590 0.415 468 2HG2 VAL 58 1HG2 VAL 58 -2.125 -0.705 1.972 469 3HG2 VAL 58 2HG2 VAL 58 -1.279 0.797 1.529 470 H VAL 59 H VAL 59 2.102 -3.867 1.116 471 HA VAL 59 HA VAL 59 2.994 -4.390 3.848 472 HB VAL 59 HB VAL 59 4.095 -6.301 2.947 473 1HG1 VAL 59 1HG1 VAL 59 1.277 -5.888 1.936 474 2HG1 VAL 59 2HG1 VAL 59 2.133 -7.435 1.724 475 3HG1 VAL 59 3HG1 VAL 59 1.834 -6.799 3.360 476 1HG2 VAL 59 3HG2 VAL 59 3.444 -5.116 0.236 477 2HG2 VAL 59 1HG2 VAL 59 5.042 -5.511 0.914 478 3HG2 VAL 59 2HG2 VAL 59 3.918 -6.816 0.463 479 H GLU 60 H GLU 60 5.536 -4.710 3.946 480 HA GLU 60 HA GLU 60 6.580 -2.196 2.996 481 1HB GLU 60 1HB GLU 60 7.095 -4.006 5.260 482 2HB GLU 60 2HB GLU 60 8.580 -3.465 4.502 483 1HG GLU 60 1HG GLU 60 6.383 -1.470 5.148 484 2HG GLU 60 2HG GLU 60 7.492 -1.994 6.400 485 H ASP 61 H ASP 61 6.684 -2.871 0.704 486 HA ASP 61 HA ASP 61 7.745 -3.554 -1.057 487 1HB ASP 61 1HB ASP 61 9.782 -2.580 -0.353 488 2HB ASP 61 2HB ASP 61 9.965 -3.689 0.991 489 H ASP 62 H ASP 62 9.678 -5.687 1.128 490 HA ASP 62 HA ASP 62 8.063 -7.937 0.255 491 1HB ASP 62 1HB ASP 62 10.309 -7.565 -1.058 492 2HB ASP 62 2HB ASP 62 11.095 -8.098 0.416 493 H LYS 63 H LYS 63 8.370 -6.278 2.782 494 HA LYS 63 HA LYS 63 9.841 -7.994 4.578 495 1HB LYS 63 1HB LYS 63 9.332 -5.303 4.525 496 2HB LYS 63 2HB LYS 63 8.140 -5.849 5.687 497 1HG LYS 63 1HG LYS 63 9.812 -5.846 7.226 498 2HG LYS 63 2HG LYS 63 10.417 -7.288 6.435 499 1HD LYS 63 1HD LYS 63 11.214 -4.831 5.009 500 2HD LYS 63 2HD LYS 63 11.768 -4.833 6.672 501 1HE LYS 63 1HE LYS 63 13.333 -6.436 6.253 502 2HE LYS 63 2HE LYS 63 12.174 -7.464 5.436 503 1HZ LYS 63 1HZ LYS 63 13.221 -5.080 4.112 504 2HZ LYS 63 2HZ LYS 63 14.064 -6.480 4.095 505 3HZ LYS 63 3HZ LYS 63 12.570 -6.418 3.438 506 H VAL 64 H VAL 64 6.407 -6.975 4.016 507 HA VAL 64 HA VAL 64 5.609 -9.282 5.644 508 HB VAL 64 HB VAL 64 4.148 -6.744 4.889 509 1HG1 VAL 64 3HG1 VAL 64 2.687 -8.796 5.026 510 2HG1 VAL 64 1HG1 VAL 64 3.176 -8.949 6.730 511 3HG1 VAL 64 2HG1 VAL 64 2.285 -7.508 6.186 512 1HG2 VAL 64 3HG2 VAL 64 6.052 -7.027 6.806 513 2HG2 VAL 64 1HG2 VAL 64 4.687 -5.890 6.915 514 3HG2 VAL 64 2HG2 VAL 64 4.595 -7.470 7.729 515 H GLY 65 H GLY 65 4.814 -11.037 4.607 516 1HA GLY 65 1HA GLY 65 4.113 -10.723 1.764 517 2HA GLY 65 2HA GLY 65 4.619 -12.200 2.561 518 H THR 66 H THR 66 2.298 -12.167 0.980 519 HA THR 66 HA THR 66 -0.007 -11.727 2.625 520 HB THR 66 HB THR 66 0.495 -13.017 -0.105 521 HG1 THR 66 1HG THR 66 -0.804 -10.567 0.855 522 1HG2 THR 66 2HG2 THR 66 -1.837 -13.265 1.540 523 2HG2 THR 66 3HG2 THR 66 -2.198 -11.999 0.342 524 3HG2 THR 66 1HG2 THR 66 -1.706 -13.621 -0.200 525 H ASP 67 H ASP 67 2.312 -14.296 2.217 526 HA ASP 67 HA ASP 67 0.983 -16.546 2.538 527 1HB ASP 67 1HB ASP 67 2.876 -17.111 4.318 528 2HB ASP 67 2HB ASP 67 3.290 -16.831 2.639 529 H MET 68 H MET 68 2.024 -14.411 5.315 530 HA MET 68 HA MET 68 0.681 -15.810 7.264 531 1HB MET 68 1HB MET 68 2.431 -13.769 7.277 532 2HB MET 68 2HB MET 68 0.983 -12.785 7.375 533 1HG MET 68 1HG MET 68 0.483 -14.743 9.296 534 2HG MET 68 2HG MET 68 2.217 -14.530 9.436 535 1HE MET 68 2HE MET 68 -1.170 -12.914 9.186 536 2HE MET 68 3HE MET 68 -1.034 -13.194 10.939 537 3HE MET 68 1HE MET 68 -1.099 -11.533 10.305 538 H LEU 69 H LEU 69 -0.350 -12.864 5.406 539 HA LEU 69 HA LEU 69 -2.770 -12.468 6.642 540 1HB LEU 69 1HB LEU 69 -1.731 -11.922 3.881 541 2HB LEU 69 2HB LEU 69 -3.395 -11.555 4.290 542 HG LEU 69 HG LEU 69 -0.994 -10.466 5.786 543 1HD1 LEU 69 1HD1 LEU 69 -1.658 -9.801 3.220 544 2HD1 LEU 69 2HD1 LEU 69 -2.593 -8.609 4.155 545 3HD1 LEU 69 3HD1 LEU 69 -0.831 -8.731 4.376 546 1HD2 LEU 69 1HD2 LEU 69 -3.858 -10.427 6.293 547 2HD2 LEU 69 2HD2 LEU 69 -2.501 -9.944 7.338 548 3HD2 LEU 69 3HD2 LEU 69 -3.180 -8.787 6.168 549 H GLU 70 H GLU 70 -2.016 -14.534 3.756 550 HA GLU 70 HA GLU 70 -4.569 -15.394 3.316 551 1HB GLU 70 1HB GLU 70 -2.752 -15.816 1.741 552 2HB GLU 70 2HB GLU 70 -1.910 -16.824 2.901 553 1HG GLU 70 1HG GLU 70 -4.313 -18.122 2.855 554 2HG GLU 70 2HG GLU 70 -4.326 -17.450 1.236 555 H GLU 71 H GLU 71 -1.978 -16.986 5.313 556 HA GLU 71 HA GLU 71 -3.562 -19.080 6.154 557 1HB GLU 71 1HB GLU 71 -1.088 -17.739 7.279 558 2HB GLU 71 2HB GLU 71 -1.852 -19.052 8.153 559 1HG GLU 71 1HG GLU 71 -1.252 -19.399 5.205 560 2HG GLU 71 2HG GLU 71 0.054 -19.554 6.364 561 H GLN 72 H GLN 72 -3.790 -15.731 6.871 562 HA GLN 72 HA GLN 72 -5.001 -16.236 9.450 563 1HB GLN 72 1HB GLN 72 -3.388 -14.366 9.262 564 2HB GLN 72 2HB GLN 72 -4.361 -13.625 8.007 565 1HG GLN 72 1HG GLN 72 -5.729 -12.658 9.538 566 2HG GLN 72 2HG GLN 72 -6.040 -14.197 10.316 567 1HE2 GLN 72 2HE2 GLN 72 -4.458 -13.066 13.180 568 2HE2 GLN 72 1HE2 GLN 72 -5.864 -13.706 12.398 569 H ILE 73 H ILE 73 -5.746 -14.729 6.236 570 HA ILE 73 HA ILE 73 -8.495 -14.374 6.918 571 HB ILE 73 HB ILE 73 -7.130 -14.230 4.229 572 1HG1 ILE 73 1HG1 ILE 73 -7.717 -11.816 5.903 573 2HG1 ILE 73 2HG1 ILE 73 -6.291 -12.764 6.272 574 1HG2 ILE 73 1HG2 ILE 73 -9.873 -13.710 5.181 575 2HG2 ILE 73 2HG2 ILE 73 -9.161 -12.422 4.179 576 3HG2 ILE 73 3HG2 ILE 73 -9.265 -14.083 3.550 577 1HD1 ILE 73 3HD1 ILE 73 -5.553 -12.571 3.886 578 2HD1 ILE 73 1HD1 ILE 73 -6.980 -11.562 3.551 579 3HD1 ILE 73 2HD1 ILE 73 -5.723 -10.983 4.672 580 H THR 74 H THR 74 -6.872 -16.389 4.358 581 HA THR 74 HA THR 74 -9.089 -17.957 3.816 582 HB THR 74 HB THR 74 -6.538 -17.644 2.831 583 HG1 THR 74 1HG THR 74 -8.562 -18.538 1.858 584 1HG2 THR 74 3HG2 THR 74 -5.645 -19.235 4.633 585 2HG2 THR 74 1HG2 THR 74 -6.706 -20.490 3.948 586 3HG2 THR 74 2HG2 THR 74 -5.393 -19.800 2.965 587 H ALA 75 H ALA 75 -7.041 -17.921 6.634 588 HA ALA 75 HA ALA 75 -7.025 -20.477 7.501 589 1HB ALA 75 3HB ALA 75 -6.673 -17.895 8.581 590 2HB ALA 75 1HB ALA 75 -7.854 -18.697 9.644 591 3HB ALA 75 2HB ALA 75 -6.268 -19.448 9.350 592 H PHE 76 H PHE 76 -9.818 -18.301 7.154 593 HA PHE 76 HA PHE 76 -11.525 -20.136 8.597 594 1HB PHE 76 1HB PHE 76 -11.497 -17.355 7.538 595 2HB PHE 76 2HB PHE 76 -13.027 -18.150 7.219 596 HD1 PHE 76 2HD PHE 76 -13.610 -19.719 9.524 597 HD2 PHE 76 1HD PHE 76 -11.693 -15.937 9.337 598 HE1 PHE 76 2HE PHE 76 -14.357 -19.225 11.869 599 HE2 PHE 76 1HE PHE 76 -12.440 -15.443 11.683 600 HZ PHE 76 HZ PHE 76 -13.763 -17.093 12.920 601 H GLU 77 H GLU 77 -11.491 -22.049 7.304 602 HA GLU 77 HA GLU 77 -12.037 -21.859 4.533 603 1HB GLU 77 1HB GLU 77 -11.025 -23.815 6.302 604 2HB GLU 77 2HB GLU 77 -12.524 -24.499 5.704 605 1HG GLU 77 1HG GLU 77 -10.533 -23.230 3.790 606 2HG GLU 77 2HG GLU 77 -10.320 -24.883 4.329 607 H ASP 78 H ASP 78 -13.958 -21.494 7.295 608 HA ASP 78 HA ASP 78 -16.257 -22.794 6.156 609 1HB ASP 78 1HB ASP 78 -15.401 -22.174 8.766 610 2HB ASP 78 2HB ASP 78 -16.710 -21.041 8.487 611 H TYR 79 H TYR 79 -14.657 -20.112 5.325 612 HA TYR 79 HA TYR 79 -17.101 -18.626 4.732 613 1HB TYR 79 1HB TYR 79 -14.467 -17.572 5.940 614 2HB TYR 79 2HB TYR 79 -15.781 -16.538 5.416 615 HD1 TYR 79 1HD TYR 79 -15.018 -19.317 7.804 616 HD2 TYR 79 2HD TYR 79 -17.458 -15.913 6.931 617 HE1 TYR 79 1HE TYR 79 -16.066 -19.465 10.116 618 HE2 TYR 79 2HE TYR 79 -18.497 -16.073 9.245 619 HH TYR 79 HH TYR 79 -17.944 -18.814 11.283 620 H VAL 80 H VAL 80 -13.547 -19.069 4.260 621 HA VAL 80 HA VAL 80 -13.671 -17.686 1.731 622 HB VAL 80 HB VAL 80 -11.436 -19.179 3.117 623 1HG1 VAL 80 3HG1 VAL 80 -11.651 -17.908 0.482 624 2HG1 VAL 80 1HG1 VAL 80 -10.298 -17.286 1.455 625 3HG1 VAL 80 2HG1 VAL 80 -10.424 -19.029 1.119 626 1HG2 VAL 80 2HG2 VAL 80 -12.659 -16.755 3.833 627 2HG2 VAL 80 3HG2 VAL 80 -11.095 -17.385 4.403 628 3HG2 VAL 80 1HG2 VAL 80 -11.156 -16.293 2.997 629 H GLN 81 H GLN 81 -14.101 -18.621 -0.204 630 HA GLN 81 HA GLN 81 -14.509 -21.456 -0.203 631 1HB GLN 81 1HB GLN 81 -16.114 -19.850 -1.283 632 2HB GLN 81 2HB GLN 81 -14.876 -19.421 -2.447 633 1HG GLN 81 1HG GLN 81 -14.822 -22.150 -2.697 634 2HG GLN 81 2HG GLN 81 -16.497 -21.929 -2.232 635 1HE2 GLN 81 2HE2 GLN 81 -17.522 -20.187 -5.134 636 2HE2 GLN 81 1HE2 GLN 81 -17.816 -20.451 -3.448 637 H SER 82 H SER 82 -12.229 -19.033 -1.507 638 HA SER 82 HA SER 82 -10.147 -20.736 -1.707 639 1HB SER 82 1HB SER 82 -10.037 -20.975 -4.296 640 2HB SER 82 2HB SER 82 -11.058 -22.088 -3.407 641 HG SER 82 HG SER 82 -12.815 -20.364 -3.852 642 H MET 83 H MET 83 -8.798 -19.021 -1.209 643 HA MET 83 HA MET 83 -9.206 -16.487 -2.397 644 1HB MET 83 1HB MET 83 -8.303 -16.478 -0.176 645 2HB MET 83 2HB MET 83 -7.164 -17.762 -0.533 646 1HG MET 83 1HG MET 83 -5.887 -16.201 -2.031 647 2HG MET 83 2HG MET 83 -7.016 -14.918 -1.647 648 1HE MET 83 1HE MET 83 -4.159 -14.470 -1.387 649 2HE MET 83 2HE MET 83 -3.407 -14.571 0.223 650 3HE MET 83 3HE MET 83 -3.544 -16.029 -0.788 651 H ASP 84 H ASP 84 -7.482 -15.275 -3.617 652 HA ASP 84 HA ASP 84 -5.609 -16.971 -4.989 653 1HB ASP 84 1HB ASP 84 -7.936 -15.540 -6.297 654 2HB ASP 84 2HB ASP 84 -6.435 -15.708 -7.187 655 H VAL 85 H VAL 85 -4.596 -15.209 -6.863 656 HA VAL 85 HA VAL 85 -3.962 -12.842 -5.245 657 HB VAL 85 HB VAL 85 -2.173 -14.552 -5.788 658 1HG1 VAL 85 1HG1 VAL 85 -3.156 -14.515 -8.311 659 2HG1 VAL 85 2HG1 VAL 85 -1.825 -13.346 -8.479 660 3HG1 VAL 85 3HG1 VAL 85 -1.492 -14.999 -7.905 661 1HG2 VAL 85 3HG2 VAL 85 -1.906 -12.023 -5.225 662 2HG2 VAL 85 1HG2 VAL 85 -0.513 -12.920 -5.873 663 3HG2 VAL 85 2HG2 VAL 85 -1.463 -11.860 -6.941 664 H ALA 86 H ALA 86 -4.339 -10.812 -6.069 665 HA ALA 86 HA ALA 86 -5.750 -10.758 -8.621 666 1HB ALA 86 3HB ALA 86 -6.302 -9.638 -6.175 667 2HB ALA 86 1HB ALA 86 -5.502 -8.285 -7.010 668 3HB ALA 86 2HB ALA 86 -6.943 -9.045 -7.726 669 H ALA 87 H ALA 87 -2.784 -9.678 -6.970 670 HA ALA 87 HA ALA 87 -1.319 -9.388 -9.262 671 1HB ALA 87 3HB ALA 87 -3.195 -7.288 -9.075 672 2HB ALA 87 1HB ALA 87 -1.641 -6.582 -8.573 673 3HB ALA 87 2HB ALA 87 -1.786 -7.379 -10.158 674 H PHE 88 H PHE 88 0.691 -7.798 -8.755 675 HA PHE 88 HA PHE 88 1.167 -7.534 -5.931 676 1HB PHE 88 1HB PHE 88 1.895 -9.897 -7.435 677 2HB PHE 88 2HB PHE 88 3.382 -9.006 -7.176 678 HD1 PHE 88 1HD PHE 88 4.225 -8.630 -4.902 679 HD2 PHE 88 2HD PHE 88 0.727 -10.930 -5.595 680 HE1 PHE 88 1HE PHE 88 4.379 -9.564 -2.577 681 HE2 PHE 88 2HE PHE 88 0.881 -11.865 -3.270 682 HZ PHE 88 HZ PHE 88 2.705 -11.171 -1.789 683 H ASN 89 H ASN 89 1.468 -5.301 -6.393 684 HA ASN 89 HA ASN 89 4.033 -4.794 -7.614 685 1HB ASN 89 1HB ASN 89 3.012 -2.788 -8.843 686 2HB ASN 89 2HB ASN 89 2.564 -4.353 -9.493 687 1HD2 ASN 89 2HD2 ASN 89 -0.243 -1.753 -8.389 688 2HD2 ASN 89 1HD2 ASN 89 1.424 -1.416 -8.714 689 H LYS 90 H LYS 90 4.482 -2.228 -7.260 690 HA LYS 90 HA LYS 90 3.833 -1.734 -4.477 691 1HB LYS 90 1HB LYS 90 5.512 0.225 -4.988 692 2HB LYS 90 2HB LYS 90 6.082 -1.413 -4.739 693 1HG LYS 90 1HG LYS 90 6.444 -1.784 -7.059 694 2HG LYS 90 2HG LYS 90 5.367 -0.486 -7.536 695 1HD LYS 90 1HD LYS 90 7.228 0.802 -7.762 696 2HD LYS 90 2HD LYS 90 7.275 0.862 -6.011 697 1HE LYS 90 1HE LYS 90 9.460 0.122 -6.799 698 2HE LYS 90 2HE LYS 90 8.683 -1.234 -6.006 699 1HZ LYS 90 3HZ LYS 90 7.852 -1.675 -8.415 700 2HZ LYS 90 1HZ LYS 90 9.178 -0.818 -8.829 701 3HZ LYS 90 2HZ LYS 90 9.330 -2.178 -7.937 702 H ILE 91 H ILE 91 3.200 0.432 -3.798 703 HA ILE 91 HA ILE 91 1.178 1.539 -5.672 704 HB ILE 91 HB ILE 91 0.948 2.612 -3.029 705 1HG1 ILE 91 1HG1 ILE 91 1.450 -0.382 -3.197 706 2HG1 ILE 91 2HG1 ILE 91 2.221 0.802 -2.115 707 1HG2 ILE 91 2HG2 ILE 91 -0.754 1.985 -4.923 708 2HG2 ILE 91 3HG2 ILE 91 -0.740 0.374 -4.167 709 3HG2 ILE 91 1HG2 ILE 91 -1.250 1.795 -3.225 710 1HD1 ILE 91 1HD1 ILE 91 -0.771 0.282 -2.072 711 2HD1 ILE 91 2HD1 ILE 91 0.370 -0.667 -1.089 712 3HD1 ILE 91 3HD1 ILE 91 0.226 1.089 -0.839 No H/Q in entry = 712 Start of MODEL 11 1 1H MET 1 3HN MET 1 13.483 1.102 9.980 2 2H MET 1 H MET 1 14.451 0.321 8.887 3 3H MET 1 2HN MET 1 15.103 1.439 9.920 4 HA MET 1 HA MET 1 14.057 3.209 8.904 5 1HB MET 1 1HB MET 1 15.411 1.185 7.130 6 2HB MET 1 2HB MET 1 14.740 2.669 6.413 7 1HG MET 1 1HG MET 1 16.185 3.249 8.868 8 2HG MET 1 2HG MET 1 17.216 2.367 7.728 9 1HE MET 1 1HE MET 1 18.715 3.331 6.873 10 2HE MET 1 2HE MET 1 18.567 4.425 5.478 11 3HE MET 1 3HE MET 1 18.969 5.080 7.083 12 H LEU 2 H LEU 2 13.070 0.105 7.232 13 HA LEU 2 HA LEU 2 11.166 -0.466 6.276 14 1HB LEU 2 1HB LEU 2 10.290 1.398 8.404 15 2HB LEU 2 2HB LEU 2 9.117 1.053 7.148 16 HG LEU 2 HG LEU 2 10.064 -1.467 7.803 17 1HD1 LEU 2 2HD1 LEU 2 10.757 0.242 9.968 18 2HD1 LEU 2 3HD1 LEU 2 9.405 -0.787 10.496 19 3HD1 LEU 2 1HD1 LEU 2 10.891 -1.529 9.857 20 1HD2 LEU 2 3HD2 LEU 2 7.616 0.110 8.168 21 2HD2 LEU 2 1HD2 LEU 2 7.840 -1.555 7.580 22 3HD2 LEU 2 2HD2 LEU 2 7.797 -1.227 9.329 23 H VAL 3 H VAL 3 11.534 -0.024 4.130 24 HA VAL 3 HA VAL 3 10.213 2.319 3.104 25 HB VAL 3 HB VAL 3 13.190 1.904 2.767 26 1HG1 VAL 3 3HG1 VAL 3 11.256 3.737 1.328 27 2HG1 VAL 3 1HG1 VAL 3 13.009 4.042 1.393 28 3HG1 VAL 3 2HG1 VAL 3 12.392 2.558 0.629 29 1HG2 VAL 3 1HG2 VAL 3 11.562 4.115 4.059 30 2HG2 VAL 3 2HG2 VAL 3 12.706 3.004 4.851 31 3HG2 VAL 3 3HG2 VAL 3 13.303 4.227 3.704 32 H ALA 4 H ALA 4 9.947 2.177 0.727 33 HA ALA 4 HA ALA 4 9.618 1.085 -1.177 34 1HB ALA 4 1HB ALA 4 11.982 -0.173 -0.092 35 2HB ALA 4 2HB ALA 4 10.976 -1.396 -0.904 36 3HB ALA 4 3HB ALA 4 11.512 0.049 -1.795 37 H LYS 5 H LYS 5 7.396 0.959 -0.340 38 HA LYS 5 HA LYS 5 6.671 -1.572 0.874 39 1HB LYS 5 1HB LYS 5 5.248 1.039 0.381 40 2HB LYS 5 2HB LYS 5 4.351 -0.406 0.798 41 1HG LYS 5 1HG LYS 5 6.758 0.208 2.486 42 2HG LYS 5 2HG LYS 5 5.385 1.282 2.664 43 1HD LYS 5 1HD LYS 5 3.902 -0.698 3.090 44 2HD LYS 5 2HD LYS 5 5.287 -1.760 2.934 45 1HE LYS 5 1HE LYS 5 5.061 -1.430 5.284 46 2HE LYS 5 2HE LYS 5 6.387 -0.379 4.827 47 1HZ LYS 5 3HZ LYS 5 3.951 0.974 4.541 48 2HZ LYS 5 1HZ LYS 5 4.049 0.351 6.047 49 3HZ LYS 5 2HZ LYS 5 5.222 1.346 5.497 50 H SER 6 H SER 6 4.418 -2.455 -0.089 51 HA SER 6 HA SER 6 4.465 -2.299 -2.962 52 1HB SER 6 1HB SER 6 4.204 -5.072 -2.465 53 2HB SER 6 2HB SER 6 5.537 -4.262 -3.262 54 HG SER 6 HG SER 6 5.283 -4.846 -0.439 55 H SER 7 H SER 7 2.430 -3.013 -3.922 56 HA SER 7 HA SER 7 0.298 -2.877 -2.006 57 1HB SER 7 1HB SER 7 0.461 -1.631 -4.300 58 2HB SER 7 2HB SER 7 -0.020 -3.159 -5.012 59 HG SER 7 HG SER 7 -2.034 -2.949 -4.237 60 H ILE 8 H ILE 8 -1.410 -4.493 -1.844 61 HA ILE 8 HA ILE 8 -0.893 -7.016 -3.200 62 HB ILE 8 HB ILE 8 -1.191 -6.834 -0.202 63 1HG1 ILE 8 1HG1 ILE 8 0.987 -5.918 -1.042 64 2HG1 ILE 8 2HG1 ILE 8 1.128 -7.302 0.023 65 1HG2 ILE 8 3HG2 ILE 8 -2.060 -8.875 -1.504 66 2HG2 ILE 8 1HG2 ILE 8 -0.344 -9.241 -1.804 67 3HG2 ILE 8 2HG2 ILE 8 -0.956 -9.155 -0.135 68 1HD1 ILE 8 3HD1 ILE 8 0.995 -7.737 -2.972 69 2HD1 ILE 8 1HD1 ILE 8 2.526 -7.246 -2.209 70 3HD1 ILE 8 2HD1 ILE 8 1.736 -8.766 -1.723 71 H LEU 9 H LEU 9 -2.758 -7.105 -4.369 72 HA LEU 9 HA LEU 9 -5.235 -6.529 -2.903 73 1HB LEU 9 1HB LEU 9 -4.629 -5.152 -4.923 74 2HB LEU 9 2HB LEU 9 -4.816 -6.601 -5.891 75 HG LEU 9 HG LEU 9 -7.204 -6.702 -4.813 76 1HD1 LEU 9 3HD1 LEU 9 -6.296 -4.474 -3.480 77 2HD1 LEU 9 1HD1 LEU 9 -7.254 -3.771 -4.805 78 3HD1 LEU 9 2HD1 LEU 9 -8.000 -4.942 -3.690 79 1HD2 LEU 9 2HD2 LEU 9 -6.232 -4.969 -7.062 80 2HD2 LEU 9 3HD2 LEU 9 -7.143 -6.497 -7.111 81 3HD2 LEU 9 1HD2 LEU 9 -7.958 -4.990 -6.631 82 H LEU 10 H LEU 10 -5.876 -8.424 -1.964 83 HA LEU 10 HA LEU 10 -5.691 -10.838 -3.603 84 1HB LEU 10 1HB LEU 10 -6.172 -10.463 -0.644 85 2HB LEU 10 2HB LEU 10 -6.132 -12.009 -1.469 86 HG LEU 10 HG LEU 10 -3.724 -10.513 -2.051 87 1HD1 LEU 10 1HD1 LEU 10 -4.406 -10.877 0.876 88 2HD1 LEU 10 2HD1 LEU 10 -2.763 -10.595 0.254 89 3HD1 LEU 10 3HD1 LEU 10 -4.025 -9.360 0.025 90 1HD2 LEU 10 3HD2 LEU 10 -4.518 -13.150 -1.768 91 2HD2 LEU 10 1HD2 LEU 10 -2.855 -12.565 -2.019 92 3HD2 LEU 10 2HD2 LEU 10 -3.449 -12.884 -0.371 93 H ASP 11 H ASP 11 -7.503 -11.996 -4.242 94 HA ASP 11 HA ASP 11 -10.023 -10.684 -3.580 95 1HB ASP 11 1HB ASP 11 -8.882 -11.003 -6.094 96 2HB ASP 11 2HB ASP 11 -9.925 -12.408 -6.005 97 H VAL 12 H VAL 12 -10.840 -12.061 -1.950 98 HA VAL 12 HA VAL 12 -10.486 -14.924 -2.251 99 HB VAL 12 HB VAL 12 -11.650 -13.191 -0.065 100 1HG1 VAL 12 1HG1 VAL 12 -11.293 -16.196 -0.222 101 2HG1 VAL 12 2HG1 VAL 12 -11.510 -15.313 1.307 102 3HG1 VAL 12 3HG1 VAL 12 -12.790 -15.282 0.071 103 1HG2 VAL 12 2HG2 VAL 12 -8.950 -14.160 -0.708 104 2HG2 VAL 12 3HG2 VAL 12 -9.471 -12.836 0.362 105 3HG2 VAL 12 1HG2 VAL 12 -9.461 -14.513 0.960 106 H LYS 13 H LYS 13 -12.331 -16.413 -2.146 107 HA LYS 13 HA LYS 13 -14.732 -15.170 -3.296 108 1HB LYS 13 1HB LYS 13 -13.253 -16.737 -4.732 109 2HB LYS 13 2HB LYS 13 -13.895 -18.033 -3.745 110 1HG LYS 13 1HG LYS 13 -15.890 -16.080 -4.853 111 2HG LYS 13 2HG LYS 13 -15.122 -17.151 -6.007 112 1HD LYS 13 1HD LYS 13 -15.878 -19.130 -4.805 113 2HD LYS 13 2HD LYS 13 -16.410 -18.171 -3.438 114 1HE LYS 13 1HE LYS 13 -18.345 -18.823 -4.831 115 2HE LYS 13 2HE LYS 13 -18.147 -17.082 -4.845 116 1HZ LYS 13 1HZ LYS 13 -16.652 -18.310 -6.902 117 2HZ LYS 13 2HZ LYS 13 -18.233 -18.704 -7.014 118 3HZ LYS 13 3HZ LYS 13 -17.781 -17.134 -7.006 119 HA PRO 14 HA PRO 14 -16.634 -16.647 0.318 120 1HB PRO 14 1HB PRO 14 -19.187 -15.845 -0.238 121 2HB PRO 14 2HB PRO 14 -17.978 -14.784 0.457 122 1HG PRO 14 1HG PRO 14 -19.011 -14.855 -2.313 123 2HG PRO 14 2HG PRO 14 -18.145 -13.568 -1.496 124 1HD PRO 14 1HD PRO 14 -17.077 -15.396 -3.431 125 2HD PRO 14 2HD PRO 14 -16.186 -14.186 -2.529 126 H TRP 15 H TRP 15 -17.421 -18.543 1.075 127 HA TRP 15 HA TRP 15 -17.622 -20.665 -0.594 128 1HB TRP 15 1HB TRP 15 -18.299 -20.059 2.150 129 2HB TRP 15 2HB TRP 15 -19.469 -21.167 1.461 130 HD1 TRP 15 HD TRP 15 -16.810 -21.698 3.579 131 HE1 TRP 15 1HE TRP 15 -15.318 -23.837 3.173 132 HE3 TRP 15 3HE TRP 15 -18.260 -22.439 -1.238 133 HZ2 TRP 15 2HZ TRP 15 -14.922 -25.559 0.932 134 HZ3 TRP 15 3HZ TRP 15 -17.273 -24.372 -2.464 135 HH2 TRP 15 HH TRP 15 -15.658 -25.903 -1.455 136 H ASP 16 H ASP 16 -20.128 -18.246 0.302 137 HA ASP 16 HA ASP 16 -21.485 -18.589 -2.074 138 1HB ASP 16 1HB ASP 16 -22.108 -20.637 -0.251 139 2HB ASP 16 2HB ASP 16 -23.413 -19.490 -0.024 140 H ASP 17 H ASP 17 -23.942 -17.568 -1.652 141 HA ASP 17 HA ASP 17 -23.584 -15.025 -0.861 142 1HB ASP 17 1HB ASP 17 -25.578 -15.397 -2.023 143 2HB ASP 17 2HB ASP 17 -25.968 -16.839 -1.107 144 H GLU 18 H GLU 18 -24.036 -17.924 1.087 145 HA GLU 18 HA GLU 18 -25.098 -16.715 3.366 146 1HB GLU 18 1HB GLU 18 -24.530 -18.806 4.493 147 2HB GLU 18 2HB GLU 18 -25.154 -19.166 2.896 148 1HG GLU 18 1HG GLU 18 -22.687 -19.198 2.097 149 2HG GLU 18 2HG GLU 18 -22.243 -19.186 3.792 150 H THR 19 H THR 19 -21.752 -17.298 2.188 151 HA THR 19 HA THR 19 -20.418 -16.621 4.555 152 HB THR 19 HB THR 19 -19.746 -16.650 1.583 153 HG1 THR 19 1HG THR 19 -19.912 -18.660 2.770 154 1HG2 THR 19 2HG2 THR 19 -18.355 -14.932 3.129 155 2HG2 THR 19 3HG2 THR 19 -17.606 -16.440 3.706 156 3HG2 THR 19 1HG2 THR 19 -17.525 -16.009 1.981 157 H ASP 20 H ASP 20 -20.879 -14.826 5.699 158 HA ASP 20 HA ASP 20 -21.906 -12.532 4.757 159 1HB ASP 20 1HB ASP 20 -20.615 -13.447 7.162 160 2HB ASP 20 2HB ASP 20 -19.947 -11.871 6.789 161 H MET 21 H MET 21 -20.975 -10.452 4.087 162 HA MET 21 HA MET 21 -18.265 -10.760 3.059 163 1HB MET 21 1HB MET 21 -20.245 -8.609 2.201 164 2HB MET 21 2HB MET 21 -18.914 -9.278 1.279 165 1HG MET 21 1HG MET 21 -21.382 -10.890 2.086 166 2HG MET 21 2HG MET 21 -21.220 -10.076 0.543 167 1HE MET 21 2HE MET 21 -18.838 -10.118 -0.539 168 2HE MET 21 3HE MET 21 -18.027 -11.654 -0.925 169 3HE MET 21 1HE MET 21 -19.645 -11.313 -1.582 170 H ALA 22 H ALA 22 -20.091 -9.285 5.525 171 HA ALA 22 HA ALA 22 -18.586 -6.824 5.593 172 1HB ALA 22 2HB ALA 22 -21.078 -7.319 6.299 173 2HB ALA 22 3HB ALA 22 -20.334 -7.851 7.824 174 3HB ALA 22 1HB ALA 22 -20.094 -6.183 7.252 175 H LYS 23 H LYS 23 -18.994 -9.737 7.736 176 HA LYS 23 HA LYS 23 -16.891 -9.038 9.438 177 1HB LYS 23 1HB LYS 23 -18.481 -11.518 8.885 178 2HB LYS 23 2HB LYS 23 -17.027 -11.652 9.854 179 1HG LYS 23 1HG LYS 23 -18.479 -9.332 10.770 180 2HG LYS 23 2HG LYS 23 -19.618 -10.657 10.646 181 1HD LYS 23 1HD LYS 23 -18.331 -12.050 12.131 182 2HD LYS 23 2HD LYS 23 -16.920 -11.018 12.008 183 1HE LYS 23 1HE LYS 23 -17.766 -9.430 13.486 184 2HE LYS 23 2HE LYS 23 -19.431 -9.720 13.021 185 1HZ LYS 23 2HZ LYS 23 -18.316 -12.016 14.201 186 2HZ LYS 23 3HZ LYS 23 -18.149 -10.734 15.200 187 3HZ LYS 23 1HZ LYS 23 -19.630 -11.160 14.658 188 H LEU 24 H LEU 24 -17.047 -11.086 6.471 189 HA LEU 24 HA LEU 24 -14.442 -12.025 6.578 190 1HB LEU 24 1HB LEU 24 -16.627 -12.298 4.932 191 2HB LEU 24 2HB LEU 24 -15.485 -11.462 3.898 192 HG LEU 24 HG LEU 24 -14.735 -13.969 5.409 193 1HD1 LEU 24 2HD1 LEU 24 -16.255 -13.679 2.842 194 2HD1 LEU 24 3HD1 LEU 24 -15.100 -15.020 3.037 195 3HD1 LEU 24 1HD1 LEU 24 -16.463 -14.847 4.170 196 1HD2 LEU 24 2HD2 LEU 24 -13.093 -12.235 4.228 197 2HD2 LEU 24 3HD2 LEU 24 -12.806 -13.992 4.205 198 3HD2 LEU 24 1HD2 LEU 24 -13.538 -13.191 2.795 199 H GLU 25 H GLU 25 -15.813 -8.962 5.272 200 HA GLU 25 HA GLU 25 -13.304 -8.146 4.250 201 1HB GLU 25 1HB GLU 25 -15.462 -7.378 3.291 202 2HB GLU 25 2HB GLU 25 -15.854 -6.558 4.789 203 1HG GLU 25 1HG GLU 25 -13.514 -5.350 4.418 204 2HG GLU 25 2HG GLU 25 -13.721 -5.862 2.754 205 H GLU 26 H GLU 26 -15.380 -7.032 7.027 206 HA GLU 26 HA GLU 26 -13.578 -5.231 8.026 207 1HB GLU 26 1HB GLU 26 -15.006 -5.082 9.863 208 2HB GLU 26 2HB GLU 26 -16.074 -5.791 8.669 209 1HG GLU 26 1HG GLU 26 -16.450 -7.259 10.431 210 2HG GLU 26 2HG GLU 26 -15.128 -8.095 9.641 211 H CYS 27 H CYS 27 -13.775 -8.779 8.401 212 HA CYS 27 HA CYS 27 -11.993 -8.963 10.554 213 1HB CYS 27 1HB CYS 27 -13.487 -10.794 10.013 214 2HB CYS 27 2HB CYS 27 -12.769 -10.981 8.425 215 HG CYS 27 HG CYS 27 -10.434 -10.840 10.504 216 H VAL 28 H VAL 28 -11.612 -9.346 6.955 217 HA VAL 28 HA VAL 28 -8.944 -9.890 6.857 218 HB VAL 28 HB VAL 28 -10.900 -8.514 5.074 219 1HG1 VAL 28 1HG1 VAL 28 -7.949 -8.248 4.888 220 2HG1 VAL 28 2HG1 VAL 28 -8.791 -8.701 3.386 221 3HG1 VAL 28 3HG1 VAL 28 -9.242 -7.207 4.244 222 1HG2 VAL 28 1HG2 VAL 28 -9.747 -11.152 5.403 223 2HG2 VAL 28 2HG2 VAL 28 -11.143 -10.637 4.427 224 3HG2 VAL 28 3HG2 VAL 28 -9.502 -10.559 3.742 225 H ARG 29 H ARG 29 -10.591 -6.730 7.322 226 HA ARG 29 HA ARG 29 -8.177 -5.292 7.132 227 1HB ARG 29 1HB ARG 29 -10.758 -4.558 6.911 228 2HB ARG 29 2HB ARG 29 -10.580 -4.216 8.620 229 1HG ARG 29 1HG ARG 29 -8.280 -3.059 7.622 230 2HG ARG 29 2HG ARG 29 -9.374 -2.826 6.274 231 1HD ARG 29 1HD ARG 29 -10.072 -0.970 7.418 232 2HD ARG 29 2HD ARG 29 -11.004 -2.098 8.382 233 HE ARG 29 HE ARG 29 -8.555 -2.149 9.638 234 1HH1 ARG 29 2HH2 ARG 29 -10.683 0.476 8.655 235 2HH1 ARG 29 1HH2 ARG 29 -10.173 1.535 9.927 236 1HH2 ARG 29 2HH1 ARG 29 -7.882 -0.752 11.316 237 2HH2 ARG 29 1HH1 ARG 29 -8.570 0.833 11.450 238 H SER 30 H SER 30 -10.328 -6.396 9.837 239 HA SER 30 HA SER 30 -9.139 -5.225 11.928 240 1HB SER 30 1HB SER 30 -10.194 -6.833 13.270 241 2HB SER 30 2HB SER 30 -11.126 -6.920 11.789 242 HG SER 30 HG SER 30 -10.624 -9.045 12.375 243 H ILE 31 H ILE 31 -8.061 -8.184 10.165 244 HA ILE 31 HA ILE 31 -6.141 -9.170 11.746 245 HB ILE 31 HB ILE 31 -6.232 -8.763 8.772 246 1HG1 ILE 31 1HG1 ILE 31 -6.514 -11.244 10.492 247 2HG1 ILE 31 2HG1 ILE 31 -7.855 -10.299 9.873 248 1HG2 ILE 31 2HG2 ILE 31 -3.933 -9.605 10.403 249 2HG2 ILE 31 3HG2 ILE 31 -4.374 -10.740 9.104 250 3HG2 ILE 31 1HG2 ILE 31 -4.009 -9.041 8.717 251 1HD1 ILE 31 3HD1 ILE 31 -6.425 -10.684 7.560 252 2HD1 ILE 31 1HD1 ILE 31 -6.042 -12.180 8.446 253 3HD1 ILE 31 2HD1 ILE 31 -7.737 -11.755 8.108 254 H GLN 32 H GLN 32 -4.367 -8.436 12.786 255 HA GLN 32 HA GLN 32 -3.282 -5.916 11.798 256 1HB GLN 32 1HB GLN 32 -4.338 -5.931 14.112 257 2HB GLN 32 2HB GLN 32 -3.082 -7.039 14.625 258 1HG GLN 32 1HG GLN 32 -1.854 -5.187 15.122 259 2HG GLN 32 2HG GLN 32 -1.601 -5.029 13.395 260 1HE2 GLN 32 2HE2 GLN 32 -2.952 -1.844 13.474 261 2HE2 GLN 32 1HE2 GLN 32 -1.645 -2.911 13.084 262 H ALA 33 H ALA 33 -1.057 -5.745 11.393 263 HA ALA 33 HA ALA 33 0.684 -7.888 12.231 264 1HB ALA 33 2HB ALA 33 -0.504 -8.589 10.047 265 2HB ALA 33 3HB ALA 33 0.449 -7.304 9.266 266 3HB ALA 33 1HB ALA 33 1.275 -8.660 10.070 267 H ASP 34 H ASP 34 3.000 -7.350 11.662 268 HA ASP 34 HA ASP 34 3.437 -4.656 12.257 269 1HB ASP 34 1HB ASP 34 4.902 -6.796 12.702 270 2HB ASP 34 2HB ASP 34 5.523 -6.533 11.084 271 H GLY 35 H GLY 35 4.651 -3.075 10.868 272 1HA GLY 35 1HA GLY 35 4.697 -1.876 8.946 273 2HA GLY 35 2HA GLY 35 5.531 -3.293 8.340 274 H LEU 36 H LEU 36 2.120 -3.378 9.412 275 HA LEU 36 HA LEU 36 1.386 -3.893 6.620 276 1HB LEU 36 1HB LEU 36 1.082 -5.759 8.170 277 2HB LEU 36 2HB LEU 36 0.066 -4.765 9.194 278 HG LEU 36 HG LEU 36 -1.156 -4.585 6.696 279 1HD1 LEU 36 2HD1 LEU 36 0.490 -6.897 6.651 280 2HD1 LEU 36 3HD1 LEU 36 -1.197 -7.443 6.807 281 3HD1 LEU 36 1HD1 LEU 36 -0.727 -6.375 5.462 282 1HD2 LEU 36 1HD2 LEU 36 -2.257 -4.737 8.886 283 2HD2 LEU 36 2HD2 LEU 36 -2.936 -5.895 7.717 284 3HD2 LEU 36 3HD2 LEU 36 -1.819 -6.460 8.984 285 H VAL 37 H VAL 37 -0.051 -2.571 5.587 286 HA VAL 37 HA VAL 37 -1.407 -0.578 7.264 287 HB VAL 37 HB VAL 37 0.045 -0.179 4.643 288 1HG1 VAL 37 2HG1 VAL 37 -2.194 1.014 4.821 289 2HG1 VAL 37 3HG1 VAL 37 -1.494 1.933 6.175 290 3HG1 VAL 37 1HG1 VAL 37 -0.773 2.050 4.552 291 1HG2 VAL 37 2HG2 VAL 37 0.489 0.906 7.442 292 2HG2 VAL 37 3HG2 VAL 37 1.569 -0.149 6.500 293 3HG2 VAL 37 1HG2 VAL 37 1.300 1.535 5.989 294 H TRP 38 H TRP 38 -3.533 -1.106 7.203 295 HA TRP 38 HA TRP 38 -4.591 -2.517 4.935 296 1HB TRP 38 1HB TRP 38 -5.572 -1.699 7.631 297 2HB TRP 38 2HB TRP 38 -6.758 -2.034 6.385 298 HD1 TRP 38 HD TRP 38 -5.399 -3.841 9.109 299 HE1 TRP 38 1HE TRP 38 -5.220 -6.455 8.796 300 HE3 TRP 38 3HE TRP 38 -5.843 -3.793 4.043 301 HZ2 TRP 38 2HZ TRP 38 -5.281 -8.171 6.516 302 HZ3 TRP 38 3HZ TRP 38 -5.772 -5.980 2.850 303 HH2 TRP 38 HH TRP 38 -5.503 -8.119 4.004 304 H GLY 39 H GLY 39 -4.856 -1.321 3.077 305 1HA GLY 39 1HA GLY 39 -5.248 1.478 3.057 306 2HA GLY 39 2HA GLY 39 -5.430 0.372 1.710 307 H SER 40 H SER 40 -7.487 -0.399 1.106 308 HA SER 40 HA SER 40 -9.686 0.072 2.863 309 1HB SER 40 1HB SER 40 -9.183 1.777 0.434 310 2HB SER 40 2HB SER 40 -10.837 1.308 0.767 311 HG SER 40 HG SER 40 -10.479 2.164 2.996 312 H SER 41 H SER 41 -11.246 -1.506 2.508 313 HA SER 41 HA SER 41 -10.701 -3.295 0.325 314 1HB SER 41 1HB SER 41 -12.376 -4.766 1.467 315 2HB SER 41 2HB SER 41 -11.053 -4.295 2.516 316 HG SER 41 HG SER 41 -12.562 -3.587 3.851 317 H LYS 42 H LYS 42 -12.535 -4.113 -1.062 318 HA LYS 42 HA LYS 42 -14.774 -2.254 -1.238 319 1HB LYS 42 1HB LYS 42 -14.410 -2.273 -3.783 320 2HB LYS 42 2HB LYS 42 -13.408 -1.215 -2.810 321 1HG LYS 42 1HG LYS 42 -12.054 -3.733 -2.886 322 2HG LYS 42 2HG LYS 42 -12.600 -3.427 -4.523 323 1HD LYS 42 1HD LYS 42 -11.544 -0.963 -3.391 324 2HD LYS 42 2HD LYS 42 -10.370 -2.246 -3.173 325 1HE LYS 42 1HE LYS 42 -10.330 -2.741 -5.552 326 2HE LYS 42 2HE LYS 42 -11.735 -1.740 -5.853 327 1HZ LYS 42 3HZ LYS 42 -10.299 0.113 -4.918 328 2HZ LYS 42 1HZ LYS 42 -9.031 -0.886 -5.163 329 3HZ LYS 42 2HZ LYS 42 -9.959 -0.420 -6.424 330 H LEU 43 H LEU 43 -16.420 -3.175 -2.936 331 HA LEU 43 HA LEU 43 -16.354 -6.103 -2.766 332 1HB LEU 43 1HB LEU 43 -18.358 -4.192 -1.747 333 2HB LEU 43 2HB LEU 43 -19.008 -5.545 -2.651 334 HG LEU 43 HG LEU 43 -19.023 -6.100 -0.324 335 1HD1 LEU 43 2HD1 LEU 43 -18.263 -7.810 -2.104 336 2HD1 LEU 43 3HD1 LEU 43 -16.655 -7.643 -1.360 337 3HD1 LEU 43 1HD1 LEU 43 -18.032 -8.204 -0.384 338 1HD2 LEU 43 3HD2 LEU 43 -16.843 -4.478 -0.064 339 2HD2 LEU 43 1HD2 LEU 43 -17.448 -5.589 1.188 340 3HD2 LEU 43 2HD2 LEU 43 -16.113 -6.090 0.123 341 H VAL 44 H VAL 44 -17.785 -7.155 -4.432 342 HA VAL 44 HA VAL 44 -18.514 -5.498 -6.669 343 HB VAL 44 HB VAL 44 -16.252 -7.497 -6.841 344 1HG1 VAL 44 1HG1 VAL 44 -17.939 -7.620 -8.735 345 2HG1 VAL 44 2HG1 VAL 44 -17.471 -5.953 -9.145 346 3HG1 VAL 44 3HG1 VAL 44 -16.262 -7.258 -9.209 347 1HG2 VAL 44 2HG2 VAL 44 -16.408 -4.501 -7.277 348 2HG2 VAL 44 3HG2 VAL 44 -15.434 -5.385 -6.078 349 3HG2 VAL 44 1HG2 VAL 44 -15.037 -5.504 -7.809 350 HA PRO 45 HA PRO 45 -21.349 -8.825 -6.442 351 1HB PRO 45 1HB PRO 45 -23.285 -7.715 -8.020 352 2HB PRO 45 2HB PRO 45 -23.161 -7.411 -6.298 353 1HG PRO 45 1HG PRO 45 -22.436 -5.641 -8.552 354 2HG PRO 45 2HG PRO 45 -22.720 -5.221 -6.875 355 1HD PRO 45 1HD PRO 45 -20.176 -5.446 -8.179 356 2HD PRO 45 2HD PRO 45 -20.458 -5.141 -6.476 357 H VAL 46 H VAL 46 -21.739 -10.698 -7.544 358 HA VAL 46 HA VAL 46 -20.413 -10.736 -10.128 359 HB VAL 46 HB VAL 46 -19.932 -12.382 -8.307 360 1HG1 VAL 46 3HG1 VAL 46 -22.784 -13.217 -8.897 361 2HG1 VAL 46 1HG1 VAL 46 -21.596 -14.301 -8.134 362 3HG1 VAL 46 2HG1 VAL 46 -22.059 -12.783 -7.329 363 1HG2 VAL 46 3HG2 VAL 46 -20.283 -12.801 -11.105 364 2HG2 VAL 46 1HG2 VAL 46 -19.162 -13.621 -9.991 365 3HG2 VAL 46 2HG2 VAL 46 -20.791 -14.287 -10.265 366 H GLY 47 H GLY 47 -23.618 -10.751 -8.653 367 1HA GLY 47 1HA GLY 47 -25.000 -10.112 -10.932 368 2HA GLY 47 2HA GLY 47 -24.992 -11.864 -10.903 369 H TYR 48 H TYR 48 -25.707 -8.971 -8.846 370 HA TYR 48 HA TYR 48 -27.012 -8.777 -7.025 371 1HB TYR 48 1HB TYR 48 -28.593 -10.179 -9.245 372 2HB TYR 48 2HB TYR 48 -29.412 -9.748 -7.757 373 HD1 TYR 48 1HD TYR 48 -27.591 -8.364 -10.682 374 HD2 TYR 48 2HD TYR 48 -30.091 -7.497 -7.320 375 HE1 TYR 48 1HE TYR 48 -27.985 -6.015 -11.572 376 HE2 TYR 48 2HE TYR 48 -30.477 -5.151 -8.222 377 HH TYR 48 HH TYR 48 -28.887 -4.087 -11.217 378 H GLY 49 H GLY 49 -25.905 -10.146 -5.499 379 1HA GLY 49 1HA GLY 49 -27.329 -11.884 -4.050 380 2HA GLY 49 2HA GLY 49 -26.717 -12.930 -5.315 381 H ILE 50 H ILE 50 -24.349 -13.116 -5.632 382 HA ILE 50 HA ILE 50 -22.997 -12.835 -3.072 383 HB ILE 50 HB ILE 50 -22.550 -14.457 -5.555 384 1HG1 ILE 50 1HG1 ILE 50 -22.248 -15.843 -3.055 385 2HG1 ILE 50 2HG1 ILE 50 -23.729 -14.907 -3.006 386 1HG2 ILE 50 1HG2 ILE 50 -20.535 -14.004 -3.337 387 2HG2 ILE 50 2HG2 ILE 50 -20.426 -15.262 -4.591 388 3HG2 ILE 50 3HG2 ILE 50 -20.365 -13.544 -5.049 389 1HD1 ILE 50 1HD1 ILE 50 -23.990 -15.902 -5.507 390 2HD1 ILE 50 2HD1 ILE 50 -22.973 -17.184 -4.807 391 3HD1 ILE 50 3HD1 ILE 50 -24.545 -16.793 -4.069 392 H LYS 51 H LYS 51 -20.670 -12.086 -3.094 393 HA LYS 51 HA LYS 51 -20.176 -10.148 -5.224 394 1HB LYS 51 1HB LYS 51 -20.073 -9.489 -2.265 395 2HB LYS 51 2HB LYS 51 -19.568 -8.431 -3.567 396 1HG LYS 51 1HG LYS 51 -21.704 -7.673 -3.670 397 2HG LYS 51 2HG LYS 51 -22.159 -9.231 -4.330 398 1HD LYS 51 1HD LYS 51 -23.143 -9.918 -2.376 399 2HD LYS 51 2HD LYS 51 -21.856 -9.266 -1.382 400 1HE LYS 51 1HE LYS 51 -24.063 -8.109 -1.018 401 2HE LYS 51 2HE LYS 51 -22.788 -7.012 -1.511 402 1HZ LYS 51 2HZ LYS 51 -24.559 -8.235 -3.490 403 2HZ LYS 51 3HZ LYS 51 -24.994 -6.875 -2.700 404 3HZ LYS 51 1HZ LYS 51 -23.655 -6.883 -3.635 405 H LYS 52 H LYS 52 -17.821 -9.284 -4.994 406 HA LYS 52 HA LYS 52 -16.177 -11.638 -4.492 407 1HB LYS 52 1HB LYS 52 -16.223 -9.559 -6.473 408 2HB LYS 52 2HB LYS 52 -14.682 -9.503 -5.641 409 1HG LYS 52 1HG LYS 52 -14.369 -11.949 -6.035 410 2HG LYS 52 2HG LYS 52 -15.921 -12.024 -6.846 411 1HD LYS 52 1HD LYS 52 -14.594 -9.914 -8.156 412 2HD LYS 52 2HD LYS 52 -13.322 -11.085 -7.873 413 1HE LYS 52 1HE LYS 52 -14.647 -12.859 -8.969 414 2HE LYS 52 2HE LYS 52 -16.012 -11.775 -9.148 415 1HZ LYS 52 3HZ LYS 52 -13.546 -10.791 -10.228 416 2HZ LYS 52 1HZ LYS 52 -14.138 -12.112 -10.984 417 3HZ LYS 52 2HZ LYS 52 -15.049 -10.760 -10.866 418 H LEU 53 H LEU 53 -14.744 -11.785 -2.826 419 HA LEU 53 HA LEU 53 -14.749 -9.572 -0.952 420 1HB LEU 53 1HB LEU 53 -14.707 -12.385 -0.768 421 2HB LEU 53 2HB LEU 53 -13.156 -11.837 -0.162 422 HG LEU 53 HG LEU 53 -15.098 -12.133 1.497 423 1HD1 LEU 53 2HD1 LEU 53 -13.348 -9.677 1.370 424 2HD1 LEU 53 3HD1 LEU 53 -14.378 -10.048 2.773 425 3HD1 LEU 53 1HD1 LEU 53 -13.096 -11.183 2.285 426 1HD2 LEU 53 2HD2 LEU 53 -16.413 -10.424 -0.233 427 2HD2 LEU 53 3HD2 LEU 53 -16.914 -10.844 1.423 428 3HD2 LEU 53 1HD2 LEU 53 -15.963 -9.368 1.128 429 H GLN 54 H GLN 54 -13.543 -8.110 -2.405 430 HA GLN 54 HA GLN 54 -10.748 -8.887 -2.628 431 1HB GLN 54 1HB GLN 54 -11.490 -8.268 -4.776 432 2HB GLN 54 2HB GLN 54 -12.520 -6.987 -4.170 433 1HG GLN 54 1HG GLN 54 -10.755 -5.472 -3.941 434 2HG GLN 54 2HG GLN 54 -9.566 -6.727 -3.656 435 1HE2 GLN 54 2HE2 GLN 54 -9.052 -7.551 -7.101 436 2HE2 GLN 54 1HE2 GLN 54 -9.160 -8.229 -5.511 437 H ILE 55 H ILE 55 -9.072 -7.483 -1.847 438 HA ILE 55 HA ILE 55 -9.886 -5.088 -0.447 439 HB ILE 55 HB ILE 55 -9.604 -5.755 1.654 440 1HG1 ILE 55 1HG1 ILE 55 -7.175 -6.041 1.349 441 2HG1 ILE 55 2HG1 ILE 55 -7.851 -7.190 2.486 442 1HG2 ILE 55 2HG2 ILE 55 -9.911 -8.487 0.378 443 2HG2 ILE 55 3HG2 ILE 55 -10.198 -8.104 2.092 444 3HG2 ILE 55 1HG2 ILE 55 -11.220 -7.370 0.833 445 1HD1 ILE 55 2HD1 ILE 55 -7.915 -8.223 -0.269 446 2HD1 ILE 55 3HD1 ILE 55 -6.267 -7.814 0.265 447 3HD1 ILE 55 1HD1 ILE 55 -7.246 -8.966 1.205 448 H GLN 56 H GLN 56 -8.016 -3.731 0.124 449 HA GLN 56 HA GLN 56 -5.647 -4.556 -1.364 450 1HB GLN 56 1HB GLN 56 -6.956 -2.817 -2.596 451 2HB GLN 56 2HB GLN 56 -6.821 -1.744 -1.217 452 1HG GLN 56 1HG GLN 56 -4.827 -1.017 -2.008 453 2HG GLN 56 2HG GLN 56 -4.165 -2.621 -1.760 454 1HE2 GLN 56 1HE2 GLN 56 -6.277 -0.843 -4.010 455 2HE2 GLN 56 2HE2 GLN 56 -5.660 -1.524 -5.477 456 H CYS 57 H CYS 57 -3.605 -3.957 -0.452 457 HA CYS 57 HA CYS 57 -3.685 -2.493 2.045 458 1HB CYS 57 1HB CYS 57 -2.097 -4.393 2.967 459 2HB CYS 57 2HB CYS 57 -3.837 -4.500 3.141 460 HG CYS 57 HG CYS 57 -3.101 -6.852 2.486 461 H VAL 58 H VAL 58 -1.364 -1.941 2.726 462 HA VAL 58 HA VAL 58 0.379 -1.914 0.359 463 HB VAL 58 HB VAL 58 0.223 0.218 2.489 464 1HG1 VAL 58 3HG1 VAL 58 1.893 -0.274 0.136 465 2HG1 VAL 58 1HG1 VAL 58 1.126 1.332 0.115 466 3HG1 VAL 58 2HG1 VAL 58 2.134 0.845 1.499 467 1HG2 VAL 58 2HG2 VAL 58 -1.957 -0.004 1.295 468 2HG2 VAL 58 3HG2 VAL 58 -1.143 1.553 1.009 469 3HG2 VAL 58 1HG2 VAL 58 -1.103 0.285 -0.240 470 H VAL 59 H VAL 59 1.174 -4.009 1.245 471 HA VAL 59 HA VAL 59 2.550 -3.849 3.778 472 HB VAL 59 HB VAL 59 2.790 -6.146 3.608 473 1HG1 VAL 59 1HG1 VAL 59 0.423 -5.457 3.785 474 2HG1 VAL 59 2HG1 VAL 59 0.274 -5.552 2.014 475 3HG1 VAL 59 3HG1 VAL 59 0.607 -7.023 2.959 476 1HG2 VAL 59 2HG2 VAL 59 2.416 -5.900 0.604 477 2HG2 VAL 59 3HG2 VAL 59 3.932 -6.265 1.464 478 3HG2 VAL 59 1HG2 VAL 59 2.586 -7.431 1.495 479 H GLU 60 H GLU 60 4.900 -4.954 3.684 480 HA GLU 60 HA GLU 60 6.383 -3.165 2.007 481 1HB GLU 60 1HB GLU 60 6.825 -4.642 4.497 482 2HB GLU 60 2HB GLU 60 8.187 -4.823 3.410 483 1HG GLU 60 1HG GLU 60 6.962 -2.090 3.948 484 2HG GLU 60 2HG GLU 60 8.164 -2.771 5.028 485 H ASP 61 H ASP 61 8.274 -3.954 0.693 486 HA ASP 61 HA ASP 61 7.429 -6.289 -0.751 487 1HB ASP 61 1HB ASP 61 8.390 -3.930 -1.619 488 2HB ASP 61 2HB ASP 61 9.933 -4.735 -1.410 489 H ASP 62 H ASP 62 9.225 -5.706 1.989 490 HA ASP 62 HA ASP 62 10.863 -8.040 1.482 491 1HB ASP 62 1HB ASP 62 12.029 -5.590 1.386 492 2HB ASP 62 2HB ASP 62 12.060 -5.819 3.123 493 H LYS 63 H LYS 63 8.301 -7.301 2.976 494 HA LYS 63 HA LYS 63 9.192 -8.190 5.621 495 1HB LYS 63 1HB LYS 63 8.425 -5.622 5.219 496 2HB LYS 63 2HB LYS 63 6.862 -6.349 5.532 497 1HG LYS 63 1HG LYS 63 7.448 -6.006 7.730 498 2HG LYS 63 2HG LYS 63 8.281 -7.535 7.530 499 1HD LYS 63 1HD LYS 63 10.059 -5.526 6.538 500 2HD LYS 63 2HD LYS 63 9.404 -4.897 8.036 501 1HE LYS 63 1HE LYS 63 9.933 -7.308 8.992 502 2HE LYS 63 2HE LYS 63 10.980 -7.453 7.594 503 1HZ LYS 63 1HZ LYS 63 11.600 -5.031 8.562 504 2HZ LYS 63 2HZ LYS 63 11.318 -5.871 9.933 505 3HZ LYS 63 3HZ LYS 63 12.435 -6.400 8.868 506 H VAL 64 H VAL 64 5.986 -7.397 4.131 507 HA VAL 64 HA VAL 64 5.052 -10.006 4.953 508 HB VAL 64 HB VAL 64 3.442 -8.008 3.411 509 1HG1 VAL 64 3HG1 VAL 64 2.971 -10.266 5.280 510 2HG1 VAL 64 1HG1 VAL 64 1.889 -8.863 5.458 511 3HG1 VAL 64 2HG1 VAL 64 2.011 -9.702 3.891 512 1HG2 VAL 64 2HG2 VAL 64 4.463 -7.687 6.232 513 2HG2 VAL 64 3HG2 VAL 64 4.399 -6.492 4.913 514 3HG2 VAL 64 1HG2 VAL 64 2.901 -6.994 5.733 515 H GLY 65 H GLY 65 4.120 -11.570 3.494 516 1HA GLY 65 1HA GLY 65 4.806 -11.188 0.656 517 2HA GLY 65 2HA GLY 65 5.409 -12.589 1.517 518 H THR 66 H THR 66 2.373 -11.513 2.768 519 HA THR 66 HA THR 66 0.298 -12.305 2.648 520 HB THR 66 HB THR 66 0.935 -13.262 -0.181 521 HG1 THR 66 1HG THR 66 1.734 -11.060 0.226 522 1HG2 THR 66 1HG2 THR 66 -1.517 -12.212 1.299 523 2HG2 THR 66 2HG2 THR 66 -1.402 -12.127 -0.475 524 3HG2 THR 66 3HG2 THR 66 -1.367 -13.706 0.344 525 H ASP 67 H ASP 67 2.323 -13.873 3.871 526 HA ASP 67 HA ASP 67 1.568 -16.553 3.050 527 1HB ASP 67 1HB ASP 67 3.431 -17.153 4.772 528 2HB ASP 67 2HB ASP 67 3.918 -16.454 3.242 529 H MET 68 H MET 68 2.159 -14.547 6.045 530 HA MET 68 HA MET 68 0.746 -16.336 7.692 531 1HB MET 68 1HB MET 68 2.519 -14.216 8.037 532 2HB MET 68 2HB MET 68 1.014 -13.478 8.547 533 1HG MET 68 1HG MET 68 1.001 -16.045 9.759 534 2HG MET 68 2HG MET 68 2.652 -15.479 9.931 535 1HE MET 68 2HE MET 68 -1.097 -14.809 10.599 536 2HE MET 68 3HE MET 68 -1.093 -13.218 11.399 537 3HE MET 68 1HE MET 68 -0.675 -13.348 9.674 538 H LEU 69 H LEU 69 -0.055 -13.236 6.039 539 HA LEU 69 HA LEU 69 -2.516 -12.816 7.269 540 1HB LEU 69 1HB LEU 69 -1.362 -12.000 4.611 541 2HB LEU 69 2HB LEU 69 -2.972 -11.521 5.110 542 HG LEU 69 HG LEU 69 -0.449 -10.900 6.670 543 1HD1 LEU 69 3HD1 LEU 69 -1.090 -9.823 4.239 544 2HD1 LEU 69 1HD1 LEU 69 -1.865 -8.679 5.360 545 3HD1 LEU 69 2HD1 LEU 69 -0.124 -9.019 5.498 546 1HD2 LEU 69 2HD2 LEU 69 -3.242 -10.728 7.331 547 2HD2 LEU 69 3HD2 LEU 69 -1.817 -10.343 8.324 548 3HD2 LEU 69 1HD2 LEU 69 -2.533 -9.096 7.275 549 H GLU 70 H GLU 70 -1.520 -14.870 4.508 550 HA GLU 70 HA GLU 70 -4.118 -15.428 3.663 551 1HB GLU 70 1HB GLU 70 -2.197 -15.807 2.206 552 2HB GLU 70 2HB GLU 70 -1.501 -16.953 3.334 553 1HG GLU 70 1HG GLU 70 -3.734 -18.296 3.034 554 2HG GLU 70 2HG GLU 70 -3.994 -17.284 1.626 555 H GLU 71 H GLU 71 -1.781 -17.343 5.690 556 HA GLU 71 HA GLU 71 -3.518 -19.412 6.206 557 1HB GLU 71 1HB GLU 71 -1.047 -18.313 7.527 558 2HB GLU 71 2HB GLU 71 -1.977 -19.510 8.407 559 1HG GLU 71 1HG GLU 71 -1.915 -20.897 6.182 560 2HG GLU 71 2HG GLU 71 -0.636 -19.803 5.694 561 H GLN 72 H GLN 72 -3.659 -16.130 7.223 562 HA GLN 72 HA GLN 72 -5.159 -16.821 9.603 563 1HB GLN 72 1HB GLN 72 -3.370 -15.045 9.690 564 2HB GLN 72 2HB GLN 72 -4.312 -14.078 8.572 565 1HG GLN 72 1HG GLN 72 -5.587 -13.288 10.272 566 2HG GLN 72 2HG GLN 72 -6.066 -14.917 10.707 567 1HE2 GLN 72 1HE2 GLN 72 -5.429 -15.717 12.569 568 2HE2 GLN 72 2HE2 GLN 72 -4.185 -15.092 13.599 569 H ILE 73 H ILE 73 -5.446 -15.039 6.470 570 HA ILE 73 HA ILE 73 -8.192 -14.420 6.901 571 HB ILE 73 HB ILE 73 -6.482 -14.338 4.413 572 1HG1 ILE 73 1HG1 ILE 73 -7.278 -11.925 6.003 573 2HG1 ILE 73 2HG1 ILE 73 -5.950 -12.913 6.577 574 1HG2 ILE 73 3HG2 ILE 73 -9.328 -13.902 4.828 575 2HG2 ILE 73 1HG2 ILE 73 -8.515 -12.453 4.190 576 3HG2 ILE 73 2HG2 ILE 73 -8.390 -14.000 3.319 577 1HD1 ILE 73 1HD1 ILE 73 -4.928 -12.741 4.239 578 2HD1 ILE 73 2HD1 ILE 73 -6.186 -11.538 3.867 579 3HD1 ILE 73 3HD1 ILE 73 -4.996 -11.214 5.151 580 H THR 74 H THR 74 -6.428 -16.748 4.740 581 HA THR 74 HA THR 74 -8.855 -18.022 3.954 582 HB THR 74 HB THR 74 -7.373 -19.365 2.626 583 HG1 THR 74 1HG THR 74 -6.029 -20.077 4.405 584 1HG2 THR 74 2HG2 THR 74 -7.069 -16.701 2.405 585 2HG2 THR 74 3HG2 THR 74 -5.462 -17.065 3.076 586 3HG2 THR 74 1HG2 THR 74 -5.978 -17.813 1.545 587 H ALA 75 H ALA 75 -7.182 -18.005 6.883 588 HA ALA 75 HA ALA 75 -7.165 -20.675 7.615 589 1HB ALA 75 1HB ALA 75 -6.688 -18.146 8.782 590 2HB ALA 75 2HB ALA 75 -7.912 -18.928 9.810 591 3HB ALA 75 3HB ALA 75 -6.362 -19.744 9.496 592 H PHE 76 H PHE 76 -9.819 -18.500 6.970 593 HA PHE 76 HA PHE 76 -11.664 -20.174 8.475 594 1HB PHE 76 1HB PHE 76 -11.469 -17.415 7.376 595 2HB PHE 76 2HB PHE 76 -13.021 -18.145 7.018 596 HD1 PHE 76 1HD PHE 76 -10.885 -18.533 10.046 597 HD2 PHE 76 2HD PHE 76 -14.525 -17.071 8.426 598 HE1 PHE 76 1HE PHE 76 -11.686 -17.965 12.357 599 HE2 PHE 76 2HE PHE 76 -15.325 -16.503 10.735 600 HZ PHE 76 HZ PHE 76 -13.896 -16.956 12.674 601 H GLU 77 H GLU 77 -11.531 -22.102 7.148 602 HA GLU 77 HA GLU 77 -12.131 -21.850 4.378 603 1HB GLU 77 1HB GLU 77 -10.859 -23.752 5.960 604 2HB GLU 77 2HB GLU 77 -12.381 -24.539 5.592 605 1HG GLU 77 1HG GLU 77 -11.199 -23.197 3.236 606 2HG GLU 77 2HG GLU 77 -10.142 -24.422 3.911 607 H ASP 78 H ASP 78 -13.991 -21.577 7.147 608 HA ASP 78 HA ASP 78 -16.233 -23.047 6.097 609 1HB ASP 78 1HB ASP 78 -15.418 -21.884 8.690 610 2HB ASP 78 2HB ASP 78 -17.102 -21.570 8.323 611 H TYR 79 H TYR 79 -14.824 -20.267 5.220 612 HA TYR 79 HA TYR 79 -17.364 -18.966 4.633 613 1HB TYR 79 1HB TYR 79 -14.848 -17.751 5.935 614 2HB TYR 79 2HB TYR 79 -16.169 -16.777 5.322 615 HD1 TYR 79 1HD TYR 79 -15.408 -19.471 7.801 616 HD2 TYR 79 2HD TYR 79 -17.990 -16.240 6.706 617 HE1 TYR 79 1HE TYR 79 -16.585 -19.642 10.047 618 HE2 TYR 79 2HE TYR 79 -19.159 -16.422 8.957 619 HH TYR 79 HH TYR 79 -19.291 -17.472 10.834 620 H VAL 80 H VAL 80 -13.772 -19.056 4.223 621 HA VAL 80 HA VAL 80 -14.016 -17.726 1.668 622 HB VAL 80 HB VAL 80 -11.708 -18.783 3.301 623 1HG1 VAL 80 2HG1 VAL 80 -11.820 -18.078 0.449 624 2HG1 VAL 80 3HG1 VAL 80 -10.580 -17.185 1.361 625 3HG1 VAL 80 1HG1 VAL 80 -10.579 -18.965 1.366 626 1HG2 VAL 80 2HG2 VAL 80 -12.941 -16.096 2.812 627 2HG2 VAL 80 3HG2 VAL 80 -12.308 -16.808 4.316 628 3HG2 VAL 80 1HG2 VAL 80 -11.184 -16.196 3.079 629 H GLN 81 H GLN 81 -14.092 -18.718 -0.301 630 HA GLN 81 HA GLN 81 -14.273 -21.576 -0.250 631 1HB GLN 81 1HB GLN 81 -15.855 -20.052 -1.539 632 2HB GLN 81 2HB GLN 81 -14.534 -19.692 -2.632 633 1HG GLN 81 1HG GLN 81 -14.465 -22.474 -2.548 634 2HG GLN 81 2HG GLN 81 -16.182 -22.150 -2.412 635 1HE2 GLN 81 2HE2 GLN 81 -14.046 -21.091 -5.800 636 2HE2 GLN 81 1HE2 GLN 81 -13.277 -21.349 -4.271 637 H SER 82 H SER 82 -12.073 -19.008 -1.410 638 HA SER 82 HA SER 82 -9.863 -20.578 -1.366 639 1HB SER 82 1HB SER 82 -11.372 -20.787 -3.942 640 2HB SER 82 2HB SER 82 -9.641 -20.557 -4.082 641 HG SER 82 HG SER 82 -9.252 -22.525 -3.238 642 H MET 83 H MET 83 -8.325 -19.007 -1.077 643 HA MET 83 HA MET 83 -8.891 -16.390 -2.105 644 1HB MET 83 1HB MET 83 -8.066 -16.527 0.183 645 2HB MET 83 2HB MET 83 -6.762 -17.605 -0.275 646 1HG MET 83 1HG MET 83 -5.806 -15.705 -1.702 647 2HG MET 83 2HG MET 83 -7.024 -14.652 -1.012 648 1HE MET 83 1HE MET 83 -3.866 -14.941 -1.171 649 2HE MET 83 2HE MET 83 -3.109 -14.682 0.419 650 3HE MET 83 3HE MET 83 -3.405 -16.336 -0.167 651 H ASP 84 H ASP 84 -7.347 -15.123 -3.387 652 HA ASP 84 HA ASP 84 -5.277 -16.675 -4.658 653 1HB ASP 84 1HB ASP 84 -7.683 -15.462 -6.040 654 2HB ASP 84 2HB ASP 84 -6.153 -15.509 -6.894 655 H VAL 85 H VAL 85 -4.365 -14.865 -6.539 656 HA VAL 85 HA VAL 85 -4.022 -12.400 -4.975 657 HB VAL 85 HB VAL 85 -2.138 -13.769 -6.905 658 1HG1 VAL 85 3HG1 VAL 85 -2.174 -11.070 -5.696 659 2HG1 VAL 85 1HG1 VAL 85 -0.631 -11.945 -5.545 660 3HG1 VAL 85 2HG1 VAL 85 -1.344 -11.668 -7.153 661 1HG2 VAL 85 3HG2 VAL 85 -2.395 -13.774 -3.920 662 2HG2 VAL 85 1HG2 VAL 85 -1.934 -15.086 -5.032 663 3HG2 VAL 85 2HG2 VAL 85 -0.766 -13.802 -4.636 664 H ALA 86 H ALA 86 -4.712 -10.520 -5.881 665 HA ALA 86 HA ALA 86 -5.871 -10.691 -8.524 666 1HB ALA 86 1HB ALA 86 -6.773 -9.538 -6.309 667 2HB ALA 86 2HB ALA 86 -5.772 -8.179 -6.872 668 3HB ALA 86 3HB ALA 86 -7.077 -8.810 -7.904 669 H ALA 87 H ALA 87 -2.881 -9.773 -7.016 670 HA ALA 87 HA ALA 87 -1.499 -9.356 -9.302 671 1HB ALA 87 1HB ALA 87 -2.991 -6.891 -8.426 672 2HB ALA 87 2HB ALA 87 -1.360 -6.719 -9.118 673 3HB ALA 87 3HB ALA 87 -2.654 -7.489 -10.068 674 H PHE 88 H PHE 88 0.682 -8.345 -8.872 675 HA PHE 88 HA PHE 88 1.218 -7.969 -6.037 676 1HB PHE 88 1HB PHE 88 1.661 -10.387 -7.494 677 2HB PHE 88 2HB PHE 88 3.233 -9.613 -7.464 678 HD1 PHE 88 1HD PHE 88 0.526 -9.746 -4.896 679 HD2 PHE 88 2HD PHE 88 4.526 -10.732 -5.912 680 HE1 PHE 88 1HE PHE 88 0.905 -10.605 -2.569 681 HE2 PHE 88 2HE PHE 88 4.905 -11.592 -3.584 682 HZ PHE 88 HZ PHE 88 3.091 -11.517 -1.940 683 H ASN 89 H ASN 89 1.660 -5.755 -6.502 684 HA ASN 89 HA ASN 89 4.263 -5.404 -7.644 685 1HB ASN 89 1HB ASN 89 1.741 -4.508 -8.977 686 2HB ASN 89 2HB ASN 89 2.961 -3.258 -8.835 687 1HD2 ASN 89 2HD2 ASN 89 5.073 -4.463 -11.305 688 2HD2 ASN 89 1HD2 ASN 89 4.683 -3.256 -10.126 689 H LYS 90 H LYS 90 4.585 -2.709 -7.569 690 HA LYS 90 HA LYS 90 3.895 -2.051 -4.825 691 1HB LYS 90 1HB LYS 90 6.226 -1.873 -5.431 692 2HB LYS 90 2HB LYS 90 5.850 -0.852 -6.805 693 1HG LYS 90 1HG LYS 90 4.958 0.904 -5.284 694 2HG LYS 90 2HG LYS 90 5.264 -0.121 -3.896 695 1HD LYS 90 1HD LYS 90 7.329 0.817 -3.780 696 2HD LYS 90 2HD LYS 90 7.739 -0.088 -5.224 697 1HE LYS 90 1HE LYS 90 7.999 1.875 -6.330 698 2HE LYS 90 2HE LYS 90 6.279 2.164 -6.159 699 1HZ LYS 90 3HZ LYS 90 7.165 2.850 -3.758 700 2HZ LYS 90 1HZ LYS 90 8.457 3.271 -4.665 701 3HZ LYS 90 2HZ LYS 90 6.988 3.905 -4.992 702 H ILE 91 H ILE 91 3.282 0.226 -4.366 703 HA ILE 91 HA ILE 91 1.194 1.073 -6.306 704 HB ILE 91 HB ILE 91 0.946 2.416 -3.804 705 1HG1 ILE 91 1HG1 ILE 91 1.802 -0.469 -3.638 706 2HG1 ILE 91 2HG1 ILE 91 2.175 0.887 -2.546 707 1HG2 ILE 91 2HG2 ILE 91 -0.730 1.446 -5.597 708 2HG2 ILE 91 3HG2 ILE 91 -0.656 -0.020 -4.591 709 3HG2 ILE 91 1HG2 ILE 91 -1.213 1.515 -3.885 710 1HD1 ILE 91 1HD1 ILE 91 -0.310 0.908 -1.937 711 2HD1 ILE 91 2HD1 ILE 91 -0.442 -0.641 -2.804 712 3HD1 ILE 91 3HD1 ILE 91 0.610 -0.508 -1.375 No H/Q in entry = 712 Start of MODEL 12 1 1H MET 1 H MET 1 8.095 1.497 8.668 2 2H MET 1 2HN MET 1 8.464 2.021 10.195 3 3H MET 1 3HN MET 1 7.313 2.810 9.305 4 HA MET 1 HA MET 1 9.232 4.112 9.288 5 1HB MET 1 1HB MET 1 10.461 1.431 8.697 6 2HB MET 1 2HB MET 1 11.245 2.898 8.065 7 1HG MET 1 1HG MET 1 11.673 3.753 10.181 8 2HG MET 1 2HG MET 1 10.355 2.838 10.934 9 1HE MET 1 1HE MET 1 12.580 3.006 12.659 10 2HE MET 1 2HE MET 1 11.431 1.687 12.983 11 3HE MET 1 3HE MET 1 13.183 1.370 13.020 12 H LEU 2 H LEU 2 7.801 1.784 7.014 13 HA LEU 2 HA LEU 2 7.076 2.063 4.946 14 1HB LEU 2 1HB LEU 2 7.131 4.720 5.997 15 2HB LEU 2 2HB LEU 2 7.645 4.777 4.323 16 HG LEU 2 HG LEU 2 5.279 3.096 4.698 17 1HD1 LEU 2 2HD1 LEU 2 5.082 4.915 6.526 18 2HD1 LEU 2 3HD1 LEU 2 4.795 6.029 5.169 19 3HD1 LEU 2 1HD1 LEU 2 3.707 4.645 5.428 20 1HD2 LEU 2 3HD2 LEU 2 6.300 4.047 2.553 21 2HD2 LEU 2 1HD2 LEU 2 4.533 4.149 2.741 22 3HD2 LEU 2 2HD2 LEU 2 5.542 5.588 3.018 23 H VAL 3 H VAL 3 9.590 0.979 5.359 24 HA VAL 3 HA VAL 3 11.424 2.315 3.567 25 HB VAL 3 HB VAL 3 12.815 0.257 4.139 26 1HG1 VAL 3 1HG1 VAL 3 12.929 2.577 5.202 27 2HG1 VAL 3 2HG1 VAL 3 11.988 1.891 6.549 28 3HG1 VAL 3 3HG1 VAL 3 13.592 1.227 6.154 29 1HG2 VAL 3 3HG2 VAL 3 10.565 -0.902 4.962 30 2HG2 VAL 3 1HG2 VAL 3 12.139 -1.278 5.703 31 3HG2 VAL 3 2HG2 VAL 3 11.027 -0.142 6.503 32 H ALA 4 H ALA 4 10.097 2.247 1.621 33 HA ALA 4 HA ALA 4 9.535 1.392 -0.340 34 1HB ALA 4 3HB ALA 4 11.961 0.302 0.196 35 2HB ALA 4 1HB ALA 4 10.990 -1.181 0.043 36 3HB ALA 4 2HB ALA 4 11.056 -0.017 -1.302 37 H LYS 5 H LYS 5 7.324 1.126 -0.014 38 HA LYS 5 HA LYS 5 6.506 -1.462 1.093 39 1HB LYS 5 1HB LYS 5 5.130 1.223 0.927 40 2HB LYS 5 2HB LYS 5 4.246 -0.253 1.255 41 1HG LYS 5 1HG LYS 5 6.712 0.092 2.892 42 2HG LYS 5 2HG LYS 5 5.479 1.301 3.180 43 1HD LYS 5 1HD LYS 5 3.836 -0.779 3.282 44 2HD LYS 5 2HD LYS 5 5.302 -1.701 3.549 45 1HE LYS 5 1HE LYS 5 4.820 -1.184 5.755 46 2HE LYS 5 2HE LYS 5 5.772 0.235 5.363 47 1HZ LYS 5 1HZ LYS 5 3.619 1.282 4.716 48 2HZ LYS 5 2HZ LYS 5 2.851 0.014 5.402 49 3HZ LYS 5 3HZ LYS 5 3.795 0.987 6.313 50 H SER 6 H SER 6 4.279 -2.196 0.039 51 HA SER 6 HA SER 6 4.280 -1.613 -2.783 52 1HB SER 6 1HB SER 6 5.792 -3.500 -2.732 53 2HB SER 6 2HB SER 6 4.767 -4.382 -1.618 54 HG SER 6 HG SER 6 3.230 -4.722 -3.244 55 H SER 7 H SER 7 2.302 -2.787 -3.853 56 HA SER 7 HA SER 7 0.180 -2.846 -1.852 57 1HB SER 7 1HB SER 7 -0.577 -1.103 -3.126 58 2HB SER 7 2HB SER 7 0.416 -1.542 -4.502 59 HG SER 7 HG SER 7 -2.245 -2.205 -3.927 60 H ILE 8 H ILE 8 -0.893 -4.784 -1.623 61 HA ILE 8 HA ILE 8 -0.701 -6.663 -3.871 62 HB ILE 8 HB ILE 8 -0.638 -7.450 -0.964 63 1HG1 ILE 8 1HG1 ILE 8 1.331 -6.008 -1.623 64 2HG1 ILE 8 2HG1 ILE 8 1.715 -7.604 -1.013 65 1HG2 ILE 8 1HG2 ILE 8 -1.074 -8.898 -3.335 66 2HG2 ILE 8 2HG2 ILE 8 0.589 -9.277 -2.827 67 3HG2 ILE 8 3HG2 ILE 8 -0.766 -9.538 -1.703 68 1HD1 ILE 8 3HD1 ILE 8 1.349 -7.270 -3.989 69 2HD1 ILE 8 1HD1 ILE 8 2.857 -6.693 -3.238 70 3HD1 ILE 8 2HD1 ILE 8 2.393 -8.406 -3.101 71 H LEU 9 H LEU 9 -2.696 -6.752 -4.760 72 HA LEU 9 HA LEU 9 -4.986 -6.410 -2.996 73 1HB LEU 9 1HB LEU 9 -4.765 -5.071 -5.062 74 2HB LEU 9 2HB LEU 9 -4.818 -6.543 -6.010 75 HG LEU 9 HG LEU 9 -7.104 -6.994 -5.058 76 1HD1 LEU 9 1HD1 LEU 9 -6.441 -4.977 -3.264 77 2HD1 LEU 9 2HD1 LEU 9 -7.638 -4.225 -4.345 78 3HD1 LEU 9 3HD1 LEU 9 -8.039 -5.730 -3.484 79 1HD2 LEU 9 2HD2 LEU 9 -6.292 -5.095 -7.067 80 2HD2 LEU 9 3HD2 LEU 9 -7.675 -6.216 -7.055 81 3HD2 LEU 9 1HD2 LEU 9 -7.835 -4.596 -6.334 82 H LEU 10 H LEU 10 -6.211 -8.082 -2.289 83 HA LEU 10 HA LEU 10 -5.635 -10.693 -3.497 84 1HB LEU 10 1HB LEU 10 -6.376 -9.814 -0.727 85 2HB LEU 10 2HB LEU 10 -6.730 -11.447 -1.258 86 HG LEU 10 HG LEU 10 -4.308 -11.761 -1.785 87 1HD1 LEU 10 3HD1 LEU 10 -4.244 -8.915 -1.240 88 2HD1 LEU 10 1HD1 LEU 10 -3.080 -9.797 -0.223 89 3HD1 LEU 10 2HD1 LEU 10 -3.019 -9.963 -1.995 90 1HD2 LEU 10 1HD2 LEU 10 -5.258 -11.162 1.006 91 2HD2 LEU 10 2HD2 LEU 10 -4.951 -12.732 0.223 92 3HD2 LEU 10 3HD2 LEU 10 -3.586 -11.693 0.700 93 H ASP 11 H ASP 11 -7.404 -12.138 -3.955 94 HA ASP 11 HA ASP 11 -9.971 -10.769 -4.037 95 1HB ASP 11 1HB ASP 11 -8.489 -11.184 -6.285 96 2HB ASP 11 2HB ASP 11 -9.292 -12.739 -6.203 97 H VAL 12 H VAL 12 -10.800 -12.008 -2.253 98 HA VAL 12 HA VAL 12 -10.542 -14.905 -2.416 99 HB VAL 12 HB VAL 12 -11.463 -12.989 -0.273 100 1HG1 VAL 12 3HG1 VAL 12 -11.580 -16.014 -0.342 101 2HG1 VAL 12 1HG1 VAL 12 -11.555 -15.086 1.177 102 3HG1 VAL 12 2HG1 VAL 12 -12.887 -14.861 0.019 103 1HG2 VAL 12 1HG2 VAL 12 -8.942 -13.556 -0.931 104 2HG2 VAL 12 2HG2 VAL 12 -9.451 -13.337 0.761 105 3HG2 VAL 12 3HG2 VAL 12 -9.260 -14.976 0.093 106 H LYS 13 H LYS 13 -12.487 -16.273 -2.134 107 HA LYS 13 HA LYS 13 -14.872 -14.928 -3.203 108 1HB LYS 13 1HB LYS 13 -13.356 -16.724 -4.589 109 2HB LYS 13 2HB LYS 13 -14.505 -17.800 -3.817 110 1HG LYS 13 1HG LYS 13 -16.127 -17.170 -5.269 111 2HG LYS 13 2HG LYS 13 -15.962 -15.497 -4.774 112 1HD LYS 13 1HD LYS 13 -14.424 -14.989 -6.490 113 2HD LYS 13 2HD LYS 13 -13.901 -16.653 -6.660 114 1HE LYS 13 1HE LYS 13 -15.245 -16.284 -8.587 115 2HE LYS 13 2HE LYS 13 -16.306 -17.161 -7.503 116 1HZ LYS 13 1HZ LYS 13 -16.418 -14.358 -7.089 117 2HZ LYS 13 2HZ LYS 13 -16.829 -14.768 -8.616 118 3HZ LYS 13 3HZ LYS 13 -17.633 -15.416 -7.352 119 HA PRO 14 HA PRO 14 -16.657 -16.505 0.424 120 1HB PRO 14 1HB PRO 14 -19.232 -15.707 -0.022 121 2HB PRO 14 2HB PRO 14 -18.003 -14.651 0.646 122 1HG PRO 14 1HG PRO 14 -19.138 -14.680 -2.083 123 2HG PRO 14 2HG PRO 14 -18.249 -13.403 -1.277 124 1HD PRO 14 1HD PRO 14 -17.246 -15.190 -3.283 125 2HD PRO 14 2HD PRO 14 -16.328 -13.990 -2.394 126 H TRP 15 H TRP 15 -17.628 -18.332 1.238 127 HA TRP 15 HA TRP 15 -17.834 -20.451 -0.514 128 1HB TRP 15 1HB TRP 15 -18.377 -19.917 2.296 129 2HB TRP 15 2HB TRP 15 -19.499 -21.082 1.622 130 HD1 TRP 15 HD TRP 15 -16.629 -21.397 3.570 131 HE1 TRP 15 1HE TRP 15 -15.053 -23.453 3.064 132 HE3 TRP 15 3HE TRP 15 -18.455 -22.326 -1.084 133 HZ2 TRP 15 2HZ TRP 15 -14.754 -25.197 0.826 134 HZ3 TRP 15 3HZ TRP 15 -17.466 -24.223 -2.363 135 HH2 TRP 15 HH TRP 15 -15.677 -25.636 -1.479 136 H ASP 16 H ASP 16 -20.172 -17.946 0.485 137 HA ASP 16 HA ASP 16 -21.724 -18.243 -1.732 138 1HB ASP 16 1HB ASP 16 -22.334 -20.208 0.339 139 2HB ASP 16 2HB ASP 16 -23.703 -19.136 0.124 140 H ASP 17 H ASP 17 -24.102 -17.178 -1.173 141 HA ASP 17 HA ASP 17 -23.691 -14.690 -0.291 142 1HB ASP 17 1HB ASP 17 -26.300 -15.025 0.472 143 2HB ASP 17 2HB ASP 17 -25.793 -14.796 -1.189 144 H GLU 18 H GLU 18 -24.264 -17.661 1.589 145 HA GLU 18 HA GLU 18 -25.095 -16.547 3.960 146 1HB GLU 18 1HB GLU 18 -24.376 -18.663 4.986 147 2HB GLU 18 2HB GLU 18 -25.157 -18.972 3.448 148 1HG GLU 18 1HG GLU 18 -22.840 -19.020 2.373 149 2HG GLU 18 2HG GLU 18 -22.151 -18.919 3.982 150 H THR 19 H THR 19 -21.802 -17.043 2.601 151 HA THR 19 HA THR 19 -20.336 -16.445 4.889 152 HB THR 19 HB THR 19 -19.848 -16.152 1.888 153 HG1 THR 19 1HG THR 19 -19.729 -18.307 2.480 154 1HG2 THR 19 2HG2 THR 19 -18.345 -14.629 3.435 155 2HG2 THR 19 3HG2 THR 19 -17.676 -16.171 4.019 156 3HG2 THR 19 1HG2 THR 19 -17.537 -15.736 2.298 157 H ASP 20 H ASP 20 -21.042 -14.777 6.167 158 HA ASP 20 HA ASP 20 -22.066 -12.432 5.365 159 1HB ASP 20 1HB ASP 20 -20.885 -13.522 7.755 160 2HB ASP 20 2HB ASP 20 -20.239 -11.906 7.553 161 H MET 21 H MET 21 -21.211 -10.952 3.894 162 HA MET 21 HA MET 21 -18.463 -10.928 3.308 163 1HB MET 21 1HB MET 21 -20.638 -8.869 2.633 164 2HB MET 21 2HB MET 21 -19.113 -9.049 1.791 165 1HG MET 21 1HG MET 21 -21.231 -11.246 1.973 166 2HG MET 21 2HG MET 21 -21.068 -10.152 0.613 167 1HE MET 21 1HE MET 21 -19.848 -10.677 -1.346 168 2HE MET 21 2HE MET 21 -18.479 -9.846 -0.572 169 3HE MET 21 3HE MET 21 -18.221 -11.396 -1.408 170 H ALA 22 H ALA 22 -20.556 -9.126 5.526 171 HA ALA 22 HA ALA 22 -18.862 -6.894 5.858 172 1HB ALA 22 1HB ALA 22 -21.090 -8.153 7.491 173 2HB ALA 22 2HB ALA 22 -20.248 -6.670 8.003 174 3HB ALA 22 3HB ALA 22 -21.157 -6.694 6.473 175 H LYS 23 H LYS 23 -19.058 -10.162 7.304 176 HA LYS 23 HA LYS 23 -17.119 -9.509 9.323 177 1HB LYS 23 1HB LYS 23 -19.091 -11.190 9.456 178 2HB LYS 23 2HB LYS 23 -18.040 -12.282 8.577 179 1HG LYS 23 1HG LYS 23 -16.885 -10.864 10.974 180 2HG LYS 23 2HG LYS 23 -18.031 -12.155 11.271 181 1HD LYS 23 1HD LYS 23 -16.656 -13.715 9.899 182 2HD LYS 23 2HD LYS 23 -15.524 -12.425 9.545 183 1HE LYS 23 1HE LYS 23 -14.529 -13.629 11.355 184 2HE LYS 23 2HE LYS 23 -15.188 -12.182 12.090 185 1HZ LYS 23 2HZ LYS 23 -17.240 -13.915 12.188 186 2HZ LYS 23 3HZ LYS 23 -15.959 -14.889 12.463 187 3HZ LYS 23 1HZ LYS 23 -16.220 -13.595 13.423 188 H LEU 24 H LEU 24 -17.247 -11.311 6.198 189 HA LEU 24 HA LEU 24 -14.598 -12.209 6.305 190 1HB LEU 24 1HB LEU 24 -16.779 -12.597 4.699 191 2HB LEU 24 2HB LEU 24 -15.733 -11.661 3.650 192 HG LEU 24 HG LEU 24 -15.000 -14.265 5.018 193 1HD1 LEU 24 2HD1 LEU 24 -16.559 -13.851 2.745 194 2HD1 LEU 24 3HD1 LEU 24 -14.944 -14.258 2.116 195 3HD1 LEU 24 1HD1 LEU 24 -15.764 -15.364 3.244 196 1HD2 LEU 24 1HD2 LEU 24 -13.304 -12.212 4.089 197 2HD2 LEU 24 2HD2 LEU 24 -12.863 -13.867 4.578 198 3HD2 LEU 24 3HD2 LEU 24 -13.236 -13.512 2.874 199 H GLU 25 H GLU 25 -16.117 -9.163 5.181 200 HA GLU 25 HA GLU 25 -13.707 -8.226 4.033 201 1HB GLU 25 1HB GLU 25 -16.066 -7.528 3.371 202 2HB GLU 25 2HB GLU 25 -16.154 -6.607 4.860 203 1HG GLU 25 1HG GLU 25 -13.695 -5.815 3.747 204 2HG GLU 25 2HG GLU 25 -14.740 -5.975 2.349 205 H GLU 26 H GLU 26 -15.339 -7.996 7.203 206 HA GLU 26 HA GLU 26 -13.635 -5.937 8.130 207 1HB GLU 26 1HB GLU 26 -15.687 -5.962 9.247 208 2HB GLU 26 2HB GLU 26 -15.755 -7.711 9.321 209 1HG GLU 26 1HG GLU 26 -14.514 -7.820 11.263 210 2HG GLU 26 2HG GLU 26 -13.466 -6.496 10.797 211 H CYS 27 H CYS 27 -13.955 -9.486 8.875 212 HA CYS 27 HA CYS 27 -11.942 -9.798 10.612 213 1HB CYS 27 1HB CYS 27 -13.492 -11.577 9.712 214 2HB CYS 27 2HB CYS 27 -12.446 -11.711 8.313 215 HG CYS 27 HG CYS 27 -11.032 -11.639 11.248 216 H VAL 28 H VAL 28 -11.671 -9.839 6.983 217 HA VAL 28 HA VAL 28 -8.963 -10.208 6.792 218 HB VAL 28 HB VAL 28 -11.004 -8.778 5.116 219 1HG1 VAL 28 1HG1 VAL 28 -8.089 -8.524 4.923 220 2HG1 VAL 28 2HG1 VAL 28 -8.837 -9.142 3.431 221 3HG1 VAL 28 3HG1 VAL 28 -9.377 -7.594 4.122 222 1HG2 VAL 28 2HG2 VAL 28 -11.106 -11.221 5.212 223 2HG2 VAL 28 3HG2 VAL 28 -10.610 -10.675 3.592 224 3HG2 VAL 28 1HG2 VAL 28 -9.399 -11.328 4.721 225 H ARG 29 H ARG 29 -10.832 -7.209 7.448 226 HA ARG 29 HA ARG 29 -8.563 -5.566 7.261 227 1HB ARG 29 1HB ARG 29 -11.421 -5.279 8.128 228 2HB ARG 29 2HB ARG 29 -10.308 -4.100 8.793 229 1HG ARG 29 1HG ARG 29 -9.606 -4.280 6.053 230 2HG ARG 29 2HG ARG 29 -11.358 -4.321 6.064 231 1HD ARG 29 1HD ARG 29 -11.204 -2.285 7.705 232 2HD ARG 29 2HD ARG 29 -9.532 -2.166 7.198 233 HE ARG 29 HE ARG 29 -10.266 -1.241 5.190 234 1HH1 ARG 29 2HH2 ARG 29 -12.888 -3.141 6.569 235 2HH1 ARG 29 1HH2 ARG 29 -14.026 -2.696 5.341 236 1HH2 ARG 29 2HH1 ARG 29 -11.768 -0.653 3.570 237 2HH2 ARG 29 1HH1 ARG 29 -13.385 -1.271 3.625 238 H SER 30 H SER 30 -10.351 -7.205 9.930 239 HA SER 30 HA SER 30 -9.222 -6.007 12.071 240 1HB SER 30 1HB SER 30 -10.095 -7.763 13.302 241 2HB SER 30 2HB SER 30 -10.965 -8.002 11.800 242 HG SER 30 HG SER 30 -9.534 -9.668 11.205 243 H ILE 31 H ILE 31 -7.783 -8.286 9.766 244 HA ILE 31 HA ILE 31 -5.656 -9.200 11.304 245 HB ILE 31 HB ILE 31 -5.919 -8.752 8.330 246 1HG1 ILE 31 1HG1 ILE 31 -6.183 -11.333 9.887 247 2HG1 ILE 31 2HG1 ILE 31 -7.554 -10.302 9.524 248 1HG2 ILE 31 3HG2 ILE 31 -3.561 -8.852 8.947 249 2HG2 ILE 31 1HG2 ILE 31 -3.846 -10.360 9.848 250 3HG2 ILE 31 2HG2 ILE 31 -4.058 -10.327 8.082 251 1HD1 ILE 31 1HD1 ILE 31 -6.840 -10.420 7.054 252 2HD1 ILE 31 2HD1 ILE 31 -5.711 -11.705 7.547 253 3HD1 ILE 31 3HD1 ILE 31 -7.464 -11.930 7.759 254 H GLN 32 H GLN 32 -3.815 -8.276 12.060 255 HA GLN 32 HA GLN 32 -2.779 -5.979 10.703 256 1HB GLN 32 1HB GLN 32 -4.535 -5.568 12.875 257 2HB GLN 32 2HB GLN 32 -2.937 -5.353 13.563 258 1HG GLN 32 1HG GLN 32 -2.609 -3.385 12.458 259 2HG GLN 32 2HG GLN 32 -3.150 -4.056 10.932 260 1HE2 GLN 32 2HE2 GLN 32 -5.432 -1.451 12.860 261 2HE2 GLN 32 1HE2 GLN 32 -3.727 -1.699 13.035 262 H ALA 33 H ALA 33 -0.580 -6.200 10.659 263 HA ALA 33 HA ALA 33 0.679 -7.547 12.936 264 1HB ALA 33 1HB ALA 33 0.205 -9.003 10.787 265 2HB ALA 33 2HB ALA 33 1.592 -8.110 10.119 266 3HB ALA 33 3HB ALA 33 1.791 -9.090 11.591 267 H ASP 34 H ASP 34 3.011 -7.027 13.127 268 HA ASP 34 HA ASP 34 3.443 -4.337 12.879 269 1HB ASP 34 1HB ASP 34 4.695 -5.810 14.421 270 2HB ASP 34 2HB ASP 34 5.441 -6.637 13.070 271 H GLY 35 H GLY 35 4.112 -3.068 11.126 272 1HA GLY 35 1HA GLY 35 5.325 -2.560 9.239 273 2HA GLY 35 2HA GLY 35 5.725 -4.251 9.014 274 H LEU 36 H LEU 36 2.685 -4.862 9.536 275 HA LEU 36 HA LEU 36 1.958 -4.541 6.741 276 1HB LEU 36 1HB LEU 36 1.690 -6.733 7.373 277 2HB LEU 36 2HB LEU 36 1.140 -6.327 8.986 278 HG LEU 36 HG LEU 36 -0.975 -5.392 7.803 279 1HD1 LEU 36 3HD1 LEU 36 -0.002 -5.494 5.520 280 2HD1 LEU 36 1HD1 LEU 36 -0.010 -7.270 5.631 281 3HD1 LEU 36 2HD1 LEU 36 -1.544 -6.369 5.678 282 1HD2 LEU 36 3HD2 LEU 36 -0.634 -7.542 9.211 283 2HD2 LEU 36 1HD2 LEU 36 -2.089 -7.389 8.196 284 3HD2 LEU 36 2HD2 LEU 36 -0.720 -8.385 7.645 285 H VAL 37 H VAL 37 0.315 -3.243 6.001 286 HA VAL 37 HA VAL 37 -1.413 -2.008 8.000 287 HB VAL 37 HB VAL 37 0.424 -0.574 6.089 288 1HG1 VAL 37 2HG1 VAL 37 -2.280 0.181 6.949 289 2HG1 VAL 37 3HG1 VAL 37 -1.047 1.406 7.331 290 3HG1 VAL 37 1HG1 VAL 37 -1.258 0.850 5.654 291 1HG2 VAL 37 2HG2 VAL 37 0.056 -0.687 9.067 292 2HG2 VAL 37 3HG2 VAL 37 1.549 -0.749 8.100 293 3HG2 VAL 37 1HG2 VAL 37 0.693 0.797 8.319 294 H TRP 38 H TRP 38 -3.488 -1.524 7.216 295 HA TRP 38 HA TRP 38 -4.081 -2.791 4.672 296 1HB TRP 38 1HB TRP 38 -5.694 -1.913 7.045 297 2HB TRP 38 2HB TRP 38 -6.478 -2.197 5.503 298 HD1 TRP 38 HD TRP 38 -5.435 -4.046 8.541 299 HE1 TRP 38 1HE TRP 38 -5.585 -6.668 8.278 300 HE3 TRP 38 3HE TRP 38 -5.950 -4.036 3.483 301 HZ2 TRP 38 2HZ TRP 38 -5.894 -8.403 6.035 302 HZ3 TRP 38 3HZ TRP 38 -6.170 -6.237 2.333 303 HH2 TRP 38 HH TRP 38 -6.148 -8.370 3.526 304 H GLY 39 H GLY 39 -6.213 -1.383 3.695 305 1HA GLY 39 1HA GLY 39 -5.505 1.449 3.596 306 2HA GLY 39 2HA GLY 39 -5.342 0.538 2.109 307 H SER 40 H SER 40 -7.304 -0.721 1.335 308 HA SER 40 HA SER 40 -9.798 -0.148 2.472 309 1HB SER 40 1HB SER 40 -8.750 1.826 0.618 310 2HB SER 40 2HB SER 40 -10.152 1.055 -0.096 311 HG SER 40 HG SER 40 -10.436 3.016 1.413 312 H SER 41 H SER 41 -11.182 -1.782 1.810 313 HA SER 41 HA SER 41 -10.166 -3.516 -0.238 314 1HB SER 41 1HB SER 41 -11.942 -5.064 0.522 315 2HB SER 41 2HB SER 41 -10.981 -4.491 1.872 316 HG SER 41 HG SER 41 -13.303 -2.982 1.210 317 H LYS 42 H LYS 42 -11.877 -4.486 -1.833 318 HA LYS 42 HA LYS 42 -13.758 -2.386 -2.642 319 1HB LYS 42 1HB LYS 42 -12.209 -3.983 -4.672 320 2HB LYS 42 2HB LYS 42 -13.088 -2.483 -4.885 321 1HG LYS 42 1HG LYS 42 -11.381 -1.446 -3.209 322 2HG LYS 42 2HG LYS 42 -10.433 -2.898 -3.456 323 1HD LYS 42 1HD LYS 42 -9.638 -1.201 -5.013 324 2HD LYS 42 2HD LYS 42 -10.447 -2.452 -5.938 325 1HE LYS 42 1HE LYS 42 -11.774 -0.848 -6.838 326 2HE LYS 42 2HE LYS 42 -12.508 -0.630 -5.263 327 1HZ LYS 42 3HZ LYS 42 -10.569 0.871 -4.794 328 2HZ LYS 42 1HZ LYS 42 -10.243 0.837 -6.394 329 3HZ LYS 42 2HZ LYS 42 -11.669 1.431 -5.864 330 H LEU 43 H LEU 43 -15.569 -3.223 -3.992 331 HA LEU 43 HA LEU 43 -16.046 -6.065 -3.421 332 1HB LEU 43 1HB LEU 43 -17.645 -3.668 -2.792 333 2HB LEU 43 2HB LEU 43 -18.542 -4.990 -3.512 334 HG LEU 43 HG LEU 43 -18.708 -5.185 -1.141 335 1HD1 LEU 43 3HD1 LEU 43 -17.558 -7.213 -2.767 336 2HD1 LEU 43 1HD1 LEU 43 -16.822 -7.330 -1.151 337 3HD1 LEU 43 2HD1 LEU 43 -18.592 -7.389 -1.329 338 1HD2 LEU 43 2HD2 LEU 43 -15.834 -4.492 -1.200 339 2HD2 LEU 43 3HD2 LEU 43 -17.094 -4.102 -0.005 340 3HD2 LEU 43 1HD2 LEU 43 -16.313 -5.701 0.015 341 H VAL 44 H VAL 44 -17.327 -7.214 -5.010 342 HA VAL 44 HA VAL 44 -17.917 -5.821 -7.467 343 HB VAL 44 HB VAL 44 -15.858 -8.033 -7.344 344 1HG1 VAL 44 2HG1 VAL 44 -17.460 -6.869 -9.575 345 2HG1 VAL 44 3HG1 VAL 44 -15.741 -7.204 -9.891 346 3HG1 VAL 44 1HG1 VAL 44 -16.821 -8.516 -9.357 347 1HG2 VAL 44 2HG2 VAL 44 -15.613 -5.096 -8.076 348 2HG2 VAL 44 3HG2 VAL 44 -14.890 -5.917 -6.672 349 3HG2 VAL 44 1HG2 VAL 44 -14.338 -6.316 -8.316 350 HA PRO 45 HA PRO 45 -20.933 -8.951 -6.641 351 1HB PRO 45 1HB PRO 45 -23.037 -7.664 -7.816 352 2HB PRO 45 2HB PRO 45 -22.608 -7.455 -6.130 353 1HG PRO 45 1HG PRO 45 -22.168 -5.609 -8.396 354 2HG PRO 45 2HG PRO 45 -22.142 -5.264 -6.678 355 1HD PRO 45 1HD PRO 45 -19.870 -5.549 -8.404 356 2HD PRO 45 2HD PRO 45 -19.844 -5.320 -6.667 357 H VAL 46 H VAL 46 -21.663 -10.726 -7.747 358 HA VAL 46 HA VAL 46 -20.729 -10.741 -10.492 359 HB VAL 46 HB VAL 46 -21.767 -12.875 -8.622 360 1HG1 VAL 46 3HG1 VAL 46 -22.251 -13.206 -11.133 361 2HG1 VAL 46 1HG1 VAL 46 -20.491 -13.404 -11.308 362 3HG1 VAL 46 2HG1 VAL 46 -21.411 -14.515 -10.266 363 1HG2 VAL 46 3HG2 VAL 46 -19.100 -11.786 -9.280 364 2HG2 VAL 46 1HG2 VAL 46 -19.665 -12.652 -7.831 365 3HG2 VAL 46 2HG2 VAL 46 -19.210 -13.562 -9.291 366 H GLY 47 H GLY 47 -23.747 -11.775 -8.736 367 1HA GLY 47 1HA GLY 47 -25.274 -10.809 -11.079 368 2HA GLY 47 2HA GLY 47 -25.606 -12.348 -10.309 369 H TYR 48 H TYR 48 -26.645 -12.433 -8.250 370 HA TYR 48 HA TYR 48 -27.215 -9.961 -6.884 371 1HB TYR 48 1HB TYR 48 -29.005 -11.337 -8.820 372 2HB TYR 48 2HB TYR 48 -29.752 -11.232 -7.239 373 HD1 TYR 48 2HD TYR 48 -29.845 -8.885 -6.125 374 HD2 TYR 48 1HD TYR 48 -29.071 -9.503 -10.287 375 HE1 TYR 48 2HE TYR 48 -30.531 -6.487 -6.616 376 HE2 TYR 48 1HE TYR 48 -29.760 -7.103 -10.764 377 HH TYR 48 HH TYR 48 -29.748 -4.819 -8.880 378 H GLY 49 H GLY 49 -26.087 -11.018 -5.149 379 1HA GLY 49 1HA GLY 49 -27.409 -12.105 -3.145 380 2HA GLY 49 2HA GLY 49 -27.221 -13.523 -4.158 381 H ILE 50 H ILE 50 -24.690 -13.215 -5.291 382 HA ILE 50 HA ILE 50 -23.018 -13.354 -2.890 383 HB ILE 50 HB ILE 50 -22.884 -14.676 -5.588 384 1HG1 ILE 50 1HG1 ILE 50 -22.429 -16.530 -3.574 385 2HG1 ILE 50 2HG1 ILE 50 -23.618 -15.459 -2.861 386 1HG2 ILE 50 2HG2 ILE 50 -20.686 -14.536 -3.506 387 2HG2 ILE 50 3HG2 ILE 50 -20.712 -15.636 -4.906 388 3HG2 ILE 50 1HG2 ILE 50 -20.642 -13.875 -5.159 389 1HD1 ILE 50 2HD1 ILE 50 -24.578 -15.775 -5.464 390 2HD1 ILE 50 3HD1 ILE 50 -23.923 -17.383 -5.074 391 3HD1 ILE 50 1HD1 ILE 50 -25.164 -16.651 -4.029 392 H LYS 51 H LYS 51 -20.712 -12.589 -3.170 393 HA LYS 51 HA LYS 51 -20.345 -10.604 -5.232 394 1HB LYS 51 1HB LYS 51 -21.220 -9.880 -2.552 395 2HB LYS 51 2HB LYS 51 -19.657 -9.179 -2.919 396 1HG LYS 51 1HG LYS 51 -20.487 -8.063 -4.879 397 2HG LYS 51 2HG LYS 51 -21.941 -9.039 -4.923 398 1HD LYS 51 1HD LYS 51 -22.945 -7.883 -3.124 399 2HD LYS 51 2HD LYS 51 -21.409 -7.340 -2.478 400 1HE LYS 51 1HE LYS 51 -21.341 -6.121 -4.936 401 2HE LYS 51 2HE LYS 51 -23.073 -6.160 -4.669 402 1HZ LYS 51 1HZ LYS 51 -21.243 -5.207 -2.594 403 2HZ LYS 51 2HZ LYS 51 -21.803 -4.210 -3.760 404 3HZ LYS 51 3HZ LYS 51 -22.846 -4.932 -2.733 405 H LYS 52 H LYS 52 -18.054 -9.648 -5.038 406 HA LYS 52 HA LYS 52 -16.303 -11.870 -4.454 407 1HB LYS 52 1HB LYS 52 -16.383 -9.840 -6.387 408 2HB LYS 52 2HB LYS 52 -15.012 -9.431 -5.376 409 1HG LYS 52 1HG LYS 52 -14.098 -11.728 -5.642 410 2HG LYS 52 2HG LYS 52 -15.494 -12.190 -6.596 411 1HD LYS 52 1HD LYS 52 -14.756 -10.042 -8.052 412 2HD LYS 52 2HD LYS 52 -13.193 -10.392 -7.342 413 1HE LYS 52 1HE LYS 52 -13.351 -12.754 -8.170 414 2HE LYS 52 2HE LYS 52 -14.909 -12.396 -8.888 415 1HZ LYS 52 3HZ LYS 52 -12.391 -11.043 -9.576 416 2HZ LYS 52 1HZ LYS 52 -13.118 -12.200 -10.471 417 3HZ LYS 52 2HZ LYS 52 -13.843 -10.751 -10.263 418 H LEU 53 H LEU 53 -14.335 -11.625 -3.141 419 HA LEU 53 HA LEU 53 -14.762 -9.660 -0.999 420 1HB LEU 53 1HB LEU 53 -14.728 -12.455 -0.862 421 2HB LEU 53 2HB LEU 53 -13.166 -11.954 -0.247 422 HG LEU 53 HG LEU 53 -14.843 -12.232 1.529 423 1HD1 LEU 53 1HD1 LEU 53 -12.928 -10.437 1.479 424 2HD1 LEU 53 2HD1 LEU 53 -14.288 -9.288 1.457 425 3HD1 LEU 53 3HD1 LEU 53 -14.128 -10.452 2.794 426 1HD2 LEU 53 2HD2 LEU 53 -16.760 -11.445 0.013 427 2HD2 LEU 53 3HD2 LEU 53 -16.800 -10.969 1.727 428 3HD2 LEU 53 1HD2 LEU 53 -16.285 -9.797 0.489 429 H GLN 54 H GLN 54 -13.524 -8.410 -2.859 430 HA GLN 54 HA GLN 54 -10.723 -9.052 -2.842 431 1HB GLN 54 1HB GLN 54 -11.626 -8.387 -4.974 432 2HB GLN 54 2HB GLN 54 -12.396 -6.968 -4.293 433 1HG GLN 54 1HG GLN 54 -10.451 -5.731 -4.300 434 2HG GLN 54 2HG GLN 54 -9.452 -7.099 -3.848 435 1HE2 GLN 54 2HE2 GLN 54 -10.162 -6.101 -7.777 436 2HE2 GLN 54 1HE2 GLN 54 -11.030 -5.396 -6.454 437 H ILE 55 H ILE 55 -9.094 -7.844 -1.821 438 HA ILE 55 HA ILE 55 -9.884 -5.401 -0.464 439 HB ILE 55 HB ILE 55 -9.451 -6.069 1.674 440 1HG1 ILE 55 1HG1 ILE 55 -7.218 -7.152 0.909 441 2HG1 ILE 55 2HG1 ILE 55 -7.964 -7.674 2.406 442 1HG2 ILE 55 1HG2 ILE 55 -11.489 -7.165 0.814 443 2HG2 ILE 55 2HG2 ILE 55 -10.529 -8.617 0.437 444 3HG2 ILE 55 3HG2 ILE 55 -10.715 -8.086 2.126 445 1HD1 ILE 55 1HD1 ILE 55 -8.259 -9.075 -0.293 446 2HD1 ILE 55 2HD1 ILE 55 -7.229 -9.618 1.054 447 3HD1 ILE 55 3HD1 ILE 55 -9.000 -9.610 1.235 448 H GLN 56 H GLN 56 -8.121 -3.983 -0.081 449 HA GLN 56 HA GLN 56 -5.673 -4.903 -1.374 450 1HB GLN 56 1HB GLN 56 -6.861 -3.124 -2.639 451 2HB GLN 56 2HB GLN 56 -6.822 -2.080 -1.231 452 1HG GLN 56 1HG GLN 56 -4.935 -1.314 -2.373 453 2HG GLN 56 2HG GLN 56 -4.202 -2.510 -1.322 454 1HE2 GLN 56 2HE2 GLN 56 -3.009 -4.559 -3.839 455 2HE2 GLN 56 1HE2 GLN 56 -3.089 -4.124 -2.164 456 H CYS 57 H CYS 57 -3.655 -4.413 -0.374 457 HA CYS 57 HA CYS 57 -3.842 -3.085 2.215 458 1HB CYS 57 1HB CYS 57 -2.258 -4.844 3.137 459 2HB CYS 57 2HB CYS 57 -3.921 -5.345 2.903 460 HG CYS 57 HG CYS 57 -1.286 -5.825 0.959 461 H VAL 58 H VAL 58 -1.309 -2.911 3.012 462 HA VAL 58 HA VAL 58 0.324 -2.316 0.658 463 HB VAL 58 HB VAL 58 -0.045 -0.454 3.011 464 1HG1 VAL 58 1HG1 VAL 58 1.848 -0.591 0.773 465 2HG1 VAL 58 2HG1 VAL 58 1.020 0.980 0.901 466 3HG1 VAL 58 3HG1 VAL 58 1.928 0.336 2.290 467 1HG2 VAL 58 3HG2 VAL 58 -1.316 -0.471 0.269 468 2HG2 VAL 58 1HG2 VAL 58 -2.092 -0.310 1.863 469 3HG2 VAL 58 2HG2 VAL 58 -1.123 1.030 1.206 470 H VAL 59 H VAL 59 1.433 -4.308 1.149 471 HA VAL 59 HA VAL 59 2.646 -4.534 3.758 472 HB VAL 59 HB VAL 59 3.281 -6.682 3.084 473 1HG1 VAL 59 3HG1 VAL 59 0.667 -5.923 2.989 474 2HG1 VAL 59 1HG1 VAL 59 0.857 -6.675 1.387 475 3HG1 VAL 59 2HG1 VAL 59 1.230 -7.606 2.857 476 1HG2 VAL 59 1HG2 VAL 59 2.828 -5.810 0.212 477 2HG2 VAL 59 2HG2 VAL 59 4.390 -6.159 0.990 478 3HG2 VAL 59 3HG2 VAL 59 3.213 -7.468 0.728 479 H GLU 60 H GLU 60 5.131 -5.282 3.620 480 HA GLU 60 HA GLU 60 6.429 -2.983 2.518 481 1HB GLU 60 1HB GLU 60 6.926 -4.901 4.647 482 2HB GLU 60 2HB GLU 60 8.347 -4.780 3.628 483 1HG GLU 60 1HG GLU 60 6.900 -2.301 4.645 484 2HG GLU 60 2HG GLU 60 8.136 -3.097 5.599 485 H ASP 61 H ASP 61 8.728 -3.435 1.460 486 HA ASP 61 HA ASP 61 8.272 -4.568 -0.971 487 1HB ASP 61 1HB ASP 61 10.340 -3.178 0.263 488 2HB ASP 61 2HB ASP 61 11.086 -4.740 -0.014 489 H ASP 62 H ASP 62 10.523 -5.846 1.610 490 HA ASP 62 HA ASP 62 9.657 -8.517 0.853 491 1HB ASP 62 1HB ASP 62 11.910 -7.936 -0.157 492 2HB ASP 62 2HB ASP 62 12.533 -7.683 1.461 493 H LYS 63 H LYS 63 9.068 -6.523 3.101 494 HA LYS 63 HA LYS 63 10.339 -7.847 5.369 495 1HB LYS 63 1HB LYS 63 9.985 -5.222 4.899 496 2HB LYS 63 2HB LYS 63 8.477 -5.548 5.729 497 1HG LYS 63 1HG LYS 63 9.661 -5.332 7.662 498 2HG LYS 63 2HG LYS 63 10.312 -6.921 7.311 499 1HD LYS 63 1HD LYS 63 11.815 -5.042 5.741 500 2HD LYS 63 2HD LYS 63 11.691 -4.371 7.355 501 1HE LYS 63 1HE LYS 63 12.251 -7.030 7.915 502 2HE LYS 63 2HE LYS 63 13.142 -6.797 6.423 503 1HZ LYS 63 1HZ LYS 63 13.557 -4.573 8.021 504 2HZ LYS 63 2HZ LYS 63 13.795 -5.890 8.958 505 3HZ LYS 63 3HZ LYS 63 14.644 -5.707 7.574 506 H VAL 64 H VAL 64 7.096 -7.064 3.973 507 HA VAL 64 HA VAL 64 6.058 -9.299 5.568 508 HB VAL 64 HB VAL 64 4.835 -6.588 5.047 509 1HG1 VAL 64 2HG1 VAL 64 3.473 -9.065 5.148 510 2HG1 VAL 64 3HG1 VAL 64 3.199 -8.276 6.719 511 3HG1 VAL 64 1HG1 VAL 64 2.776 -7.428 5.211 512 1HG2 VAL 64 3HG2 VAL 64 5.999 -7.987 7.407 513 2HG2 VAL 64 1HG2 VAL 64 6.000 -6.260 6.978 514 3HG2 VAL 64 2HG2 VAL 64 4.544 -7.000 7.686 515 H GLY 65 H GLY 65 4.763 -10.761 4.465 516 1HA GLY 65 1HA GLY 65 4.125 -10.094 1.661 517 2HA GLY 65 2HA GLY 65 4.935 -11.590 2.076 518 H THR 66 H THR 66 2.610 -11.945 0.771 519 HA THR 66 HA THR 66 0.366 -12.045 2.556 520 HB THR 66 HB THR 66 0.914 -13.074 -0.276 521 HG1 THR 66 1HG THR 66 -0.624 -11.151 -0.542 522 1HG2 THR 66 3HG2 THR 66 -1.317 -13.622 1.526 523 2HG2 THR 66 1HG2 THR 66 -1.859 -12.568 0.197 524 3HG2 THR 66 2HG2 THR 66 -1.105 -14.138 -0.165 525 H ASP 67 H ASP 67 2.258 -13.286 3.991 526 HA ASP 67 HA ASP 67 1.890 -16.113 3.470 527 1HB ASP 67 1HB ASP 67 3.570 -16.207 5.504 528 2HB ASP 67 2HB ASP 67 4.160 -15.773 3.912 529 H MET 68 H MET 68 1.906 -13.735 6.243 530 HA MET 68 HA MET 68 0.495 -15.488 7.929 531 1HB MET 68 1HB MET 68 2.009 -13.182 8.228 532 2HB MET 68 2HB MET 68 0.396 -12.533 8.450 533 1HG MET 68 1HG MET 68 1.284 -15.032 9.944 534 2HG MET 68 2HG MET 68 1.678 -13.437 10.553 535 1HE MET 68 1HE MET 68 -0.006 -11.579 10.314 536 2HE MET 68 2HE MET 68 -1.511 -11.952 9.441 537 3HE MET 68 3HE MET 68 -1.543 -11.705 11.204 538 H LEU 69 H LEU 69 -0.413 -12.561 6.001 539 HA LEU 69 HA LEU 69 -3.023 -12.341 6.862 540 1HB LEU 69 1HB LEU 69 -1.920 -11.753 4.113 541 2HB LEU 69 2HB LEU 69 -3.403 -11.116 4.794 542 HG LEU 69 HG LEU 69 -1.005 -10.586 6.427 543 1HD1 LEU 69 2HD1 LEU 69 -0.818 -10.190 3.601 544 2HD1 LEU 69 3HD1 LEU 69 -0.901 -8.603 4.400 545 3HD1 LEU 69 1HD1 LEU 69 0.351 -9.774 4.876 546 1HD2 LEU 69 2HD2 LEU 69 -3.600 -9.426 5.856 547 2HD2 LEU 69 3HD2 LEU 69 -2.514 -9.174 7.242 548 3HD2 LEU 69 1HD2 LEU 69 -2.308 -8.205 5.764 549 H GLU 70 H GLU 70 -1.571 -14.428 4.310 550 HA GLU 70 HA GLU 70 -3.953 -15.354 3.283 551 1HB GLU 70 1HB GLU 70 -1.658 -15.659 2.288 552 2HB GLU 70 2HB GLU 70 -1.315 -16.868 3.508 553 1HG GLU 70 1HG GLU 70 -3.717 -17.808 2.544 554 2HG GLU 70 2HG GLU 70 -3.075 -17.046 1.102 555 H GLU 71 H GLU 71 -1.797 -16.830 5.814 556 HA GLU 71 HA GLU 71 -3.519 -18.949 6.327 557 1HB GLU 71 1HB GLU 71 -1.108 -17.739 7.589 558 2HB GLU 71 2HB GLU 71 -2.126 -18.656 8.682 559 1HG GLU 71 1HG GLU 71 -2.101 -20.522 6.861 560 2HG GLU 71 2HG GLU 71 -0.786 -19.628 6.127 561 H GLN 72 H GLN 72 -3.924 -15.628 6.901 562 HA GLN 72 HA GLN 72 -5.492 -16.085 9.295 563 1HB GLN 72 1HB GLN 72 -4.688 -13.490 7.905 564 2HB GLN 72 2HB GLN 72 -5.594 -13.584 9.403 565 1HG GLN 72 1HG GLN 72 -3.118 -15.206 9.458 566 2HG GLN 72 2HG GLN 72 -2.807 -13.504 9.182 567 1HE2 GLN 72 2HE2 GLN 72 -3.895 -14.930 12.821 568 2HE2 GLN 72 1HE2 GLN 72 -3.611 -15.912 11.423 569 H ILE 73 H ILE 73 -5.737 -14.729 5.945 570 HA ILE 73 HA ILE 73 -8.531 -14.275 6.154 571 HB ILE 73 HB ILE 73 -6.794 -14.500 3.695 572 1HG1 ILE 73 1HG1 ILE 73 -7.493 -11.865 4.914 573 2HG1 ILE 73 2HG1 ILE 73 -6.234 -12.806 5.690 574 1HG2 ILE 73 1HG2 ILE 73 -9.615 -13.970 4.107 575 2HG2 ILE 73 2HG2 ILE 73 -8.805 -12.602 3.309 576 3HG2 ILE 73 3HG2 ILE 73 -8.707 -14.231 2.599 577 1HD1 ILE 73 3HD1 ILE 73 -6.042 -12.664 2.716 578 2HD1 ILE 73 1HD1 ILE 73 -5.784 -11.128 3.579 579 3HD1 ILE 73 2HD1 ILE 73 -4.763 -12.539 3.946 580 H THR 74 H THR 74 -6.502 -16.796 4.508 581 HA THR 74 HA THR 74 -8.818 -18.329 3.813 582 HB THR 74 HB THR 74 -7.182 -19.769 2.774 583 HG1 THR 74 1HG THR 74 -5.417 -18.379 4.664 584 1HG2 THR 74 3HG2 THR 74 -7.150 -17.218 2.025 585 2HG2 THR 74 1HG2 THR 74 -5.575 -17.195 2.854 586 3HG2 THR 74 2HG2 THR 74 -5.844 -18.299 1.485 587 H ALA 75 H ALA 75 -7.426 -17.705 6.770 588 HA ALA 75 HA ALA 75 -7.254 -20.286 7.870 589 1HB ALA 75 1HB ALA 75 -6.834 -17.597 8.658 590 2HB ALA 75 2HB ALA 75 -8.031 -18.264 9.794 591 3HB ALA 75 3HB ALA 75 -6.458 -19.070 9.583 592 H PHE 76 H PHE 76 -9.914 -18.498 6.672 593 HA PHE 76 HA PHE 76 -11.748 -19.952 8.439 594 1HB PHE 76 1HB PHE 76 -11.603 -17.273 7.134 595 2HB PHE 76 2HB PHE 76 -13.147 -18.056 6.859 596 HD1 PHE 76 2HD PHE 76 -13.857 -19.364 9.267 597 HD2 PHE 76 1HD PHE 76 -11.751 -15.708 8.809 598 HE1 PHE 76 2HE PHE 76 -14.633 -18.632 11.539 599 HE2 PHE 76 1HE PHE 76 -12.528 -14.976 11.080 600 HZ PHE 76 HZ PHE 76 -13.959 -16.447 12.418 601 H GLU 77 H GLU 77 -11.826 -21.962 7.353 602 HA GLU 77 HA GLU 77 -12.280 -21.947 4.531 603 1HB GLU 77 1HB GLU 77 -11.386 -23.843 6.531 604 2HB GLU 77 2HB GLU 77 -12.713 -24.554 5.633 605 1HG GLU 77 1HG GLU 77 -11.389 -23.577 3.520 606 2HG GLU 77 2HG GLU 77 -10.024 -23.612 4.620 607 H ASP 78 H ASP 78 -14.203 -21.389 7.227 608 HA ASP 78 HA ASP 78 -16.484 -22.784 6.118 609 1HB ASP 78 1HB ASP 78 -15.619 -22.058 8.761 610 2HB ASP 78 2HB ASP 78 -17.101 -21.173 8.455 611 H TYR 79 H TYR 79 -15.040 -20.242 5.048 612 HA TYR 79 HA TYR 79 -17.452 -18.729 4.580 613 1HB TYR 79 1HB TYR 79 -15.013 -17.860 6.199 614 2HB TYR 79 2HB TYR 79 -15.832 -16.651 5.230 615 HD1 TYR 79 1HD TYR 79 -16.328 -19.085 8.003 616 HD2 TYR 79 2HD TYR 79 -17.842 -15.631 5.982 617 HE1 TYR 79 1HE TYR 79 -18.016 -18.724 9.870 618 HE2 TYR 79 2HE TYR 79 -19.525 -15.283 7.855 619 HH TYR 79 HH TYR 79 -20.319 -17.606 10.019 620 H VAL 80 H VAL 80 -13.865 -19.011 4.216 621 HA VAL 80 HA VAL 80 -13.994 -17.616 1.689 622 HB VAL 80 HB VAL 80 -11.748 -18.889 3.261 623 1HG1 VAL 80 3HG1 VAL 80 -11.798 -18.318 0.503 624 2HG1 VAL 80 1HG1 VAL 80 -10.884 -16.989 1.257 625 3HG1 VAL 80 2HG1 VAL 80 -10.377 -18.676 1.513 626 1HG2 VAL 80 2HG2 VAL 80 -13.051 -16.276 3.315 627 2HG2 VAL 80 3HG2 VAL 80 -11.907 -17.008 4.464 628 3HG2 VAL 80 1HG2 VAL 80 -11.299 -16.152 3.027 629 H GLN 81 H GLN 81 -14.174 -18.566 -0.287 630 HA GLN 81 HA GLN 81 -14.471 -21.414 -0.298 631 1HB GLN 81 1HB GLN 81 -16.012 -19.812 -1.526 632 2HB GLN 81 2HB GLN 81 -14.692 -19.453 -2.622 633 1HG GLN 81 1HG GLN 81 -14.585 -22.116 -2.865 634 2HG GLN 81 2HG GLN 81 -16.241 -22.029 -2.298 635 1HE2 GLN 81 2HE2 GLN 81 -15.247 -21.142 -6.113 636 2HE2 GLN 81 1HE2 GLN 81 -14.167 -21.791 -4.926 637 H SER 82 H SER 82 -12.190 -18.911 -1.450 638 HA SER 82 HA SER 82 -10.046 -20.577 -1.470 639 1HB SER 82 1HB SER 82 -9.668 -20.813 -3.992 640 2HB SER 82 2HB SER 82 -10.881 -21.869 -3.295 641 HG SER 82 HG SER 82 -12.009 -21.063 -4.974 642 H MET 83 H MET 83 -8.582 -18.984 -0.979 643 HA MET 83 HA MET 83 -8.998 -16.360 -2.015 644 1HB MET 83 1HB MET 83 -8.223 -16.678 0.308 645 2HB MET 83 2HB MET 83 -6.862 -17.642 -0.228 646 1HG MET 83 1HG MET 83 -6.060 -15.571 -1.541 647 2HG MET 83 2HG MET 83 -7.298 -14.659 -0.701 648 1HE MET 83 1HE MET 83 -4.107 -14.361 -0.790 649 2HE MET 83 2HE MET 83 -3.252 -14.853 0.691 650 3HE MET 83 3HE MET 83 -3.712 -16.075 -0.519 651 H ASP 84 H ASP 84 -7.441 -15.128 -3.284 652 HA ASP 84 HA ASP 84 -5.305 -16.633 -4.467 653 1HB ASP 84 1HB ASP 84 -7.781 -15.743 -5.935 654 2HB ASP 84 2HB ASP 84 -6.250 -15.564 -6.770 655 H VAL 85 H VAL 85 -4.495 -14.861 -6.452 656 HA VAL 85 HA VAL 85 -4.224 -12.347 -4.963 657 HB VAL 85 HB VAL 85 -2.204 -13.782 -5.400 658 1HG1 VAL 85 2HG1 VAL 85 -3.143 -14.202 -7.860 659 2HG1 VAL 85 3HG1 VAL 85 -2.140 -12.775 -8.214 660 3HG1 VAL 85 1HG1 VAL 85 -1.400 -14.227 -7.497 661 1HG2 VAL 85 2HG2 VAL 85 -2.347 -11.174 -5.105 662 2HG2 VAL 85 3HG2 VAL 85 -0.816 -11.941 -5.590 663 3HG2 VAL 85 1HG2 VAL 85 -1.843 -11.154 -6.812 664 H ALA 86 H ALA 86 -4.798 -10.406 -5.914 665 HA ALA 86 HA ALA 86 -6.300 -10.669 -8.392 666 1HB ALA 86 2HB ALA 86 -6.181 -8.747 -6.087 667 2HB ALA 86 3HB ALA 86 -6.754 -8.148 -7.662 668 3HB ALA 86 1HB ALA 86 -7.591 -9.503 -6.867 669 H ALA 87 H ALA 87 -3.264 -9.436 -7.086 670 HA ALA 87 HA ALA 87 -2.146 -9.079 -9.604 671 1HB ALA 87 1HB ALA 87 -3.088 -6.507 -8.270 672 2HB ALA 87 2HB ALA 87 -1.980 -6.595 -9.660 673 3HB ALA 87 3HB ALA 87 -3.658 -7.164 -9.823 674 H PHE 88 H PHE 88 0.082 -8.027 -9.402 675 HA PHE 88 HA PHE 88 1.003 -7.942 -6.640 676 1HB PHE 88 1HB PHE 88 1.389 -10.075 -8.613 677 2HB PHE 88 2HB PHE 88 2.939 -9.315 -8.309 678 HD1 PHE 88 2HD PHE 88 3.216 -8.800 -5.605 679 HD2 PHE 88 1HD PHE 88 1.015 -11.968 -7.372 680 HE1 PHE 88 2HE PHE 88 3.465 -10.146 -3.500 681 HE2 PHE 88 1HE PHE 88 1.265 -13.314 -5.268 682 HZ PHE 88 HZ PHE 88 2.486 -12.387 -3.358 683 H ASN 89 H ASN 89 1.555 -5.762 -6.708 684 HA ASN 89 HA ASN 89 3.836 -5.180 -8.337 685 1HB ASN 89 1HB ASN 89 1.146 -3.797 -8.665 686 2HB ASN 89 2HB ASN 89 2.620 -2.893 -8.954 687 1HD2 ASN 89 2HD2 ASN 89 3.614 -4.624 -11.877 688 2HD2 ASN 89 1HD2 ASN 89 4.155 -3.719 -10.503 689 H LYS 90 H LYS 90 4.511 -2.715 -7.751 690 HA LYS 90 HA LYS 90 4.500 -2.590 -4.887 691 1HB LYS 90 1HB LYS 90 5.998 -1.368 -7.124 692 2HB LYS 90 2HB LYS 90 5.783 -0.327 -5.732 693 1HG LYS 90 1HG LYS 90 7.137 -1.612 -4.389 694 2HG LYS 90 2HG LYS 90 6.525 -3.122 -5.037 695 1HD LYS 90 1HD LYS 90 7.909 -1.985 -7.209 696 2HD LYS 90 2HD LYS 90 8.909 -1.579 -5.828 697 1HE LYS 90 1HE LYS 90 9.404 -3.805 -5.344 698 2HE LYS 90 2HE LYS 90 7.865 -4.395 -5.939 699 1HZ LYS 90 3HZ LYS 90 9.135 -3.317 -8.105 700 2HZ LYS 90 1HZ LYS 90 10.296 -4.149 -7.316 701 3HZ LYS 90 2HZ LYS 90 8.925 -4.904 -7.782 702 H ILE 91 H ILE 91 4.238 -0.281 -3.940 703 HA ILE 91 HA ILE 91 1.692 0.860 -4.993 704 HB ILE 91 HB ILE 91 1.286 -0.413 -2.944 705 1HG1 ILE 91 1HG1 ILE 91 1.247 2.238 -1.695 706 2HG1 ILE 91 2HG1 ILE 91 0.669 2.284 -3.378 707 1HG2 ILE 91 1HG2 ILE 91 3.856 0.210 -2.274 708 2HG2 ILE 91 2HG2 ILE 91 2.971 1.389 -1.276 709 3HG2 ILE 91 3HG2 ILE 91 2.642 -0.352 -1.099 710 1HD1 ILE 91 2HD1 ILE 91 -0.299 0.083 -1.561 711 2HD1 ILE 91 3HD1 ILE 91 -1.002 1.709 -1.396 712 3HD1 ILE 91 1HD1 ILE 91 -1.113 0.846 -2.947 No H/Q in entry = 712 Start of MODEL 13 1 1H MET 1 3HN MET 1 14.136 4.453 5.020 2 2H MET 1 H MET 1 14.541 5.961 5.575 3 3H MET 1 2HN MET 1 15.690 5.003 4.863 4 HA MET 1 HA MET 1 16.187 3.990 6.692 5 1HB MET 1 1HB MET 1 14.385 6.233 7.621 6 2HB MET 1 2HB MET 1 15.131 5.115 8.789 7 1HG MET 1 1HG MET 1 17.342 5.608 7.539 8 2HG MET 1 2HG MET 1 16.481 6.983 6.827 9 1HE MET 1 2HE MET 1 18.733 5.763 8.914 10 2HE MET 1 3HE MET 1 19.276 7.307 9.614 11 3HE MET 1 1HE MET 1 18.402 6.131 10.624 12 H LEU 2 H LEU 2 12.691 4.255 6.013 13 HA LEU 2 HA LEU 2 12.358 1.543 6.787 14 1HB LEU 2 1HB LEU 2 12.262 3.152 8.927 15 2HB LEU 2 2HB LEU 2 10.600 3.316 8.395 16 HG LEU 2 HG LEU 2 11.828 0.589 8.753 17 1HD1 LEU 2 3HD1 LEU 2 11.762 2.424 10.820 18 2HD1 LEU 2 1HD1 LEU 2 10.253 1.504 11.036 19 3HD1 LEU 2 2HD1 LEU 2 11.816 0.653 10.981 20 1HD2 LEU 2 2HD2 LEU 2 9.041 1.713 8.612 21 2HD2 LEU 2 3HD2 LEU 2 9.781 0.393 7.674 22 3HD2 LEU 2 1HD2 LEU 2 9.360 0.143 9.386 23 H VAL 3 H VAL 3 12.119 2.612 4.322 24 HA VAL 3 HA VAL 3 9.205 2.766 3.995 25 HB VAL 3 HB VAL 3 10.632 4.928 3.686 26 1HG1 VAL 3 2HG1 VAL 3 12.345 3.890 2.243 27 2HG1 VAL 3 3HG1 VAL 3 11.099 3.563 1.013 28 3HG1 VAL 3 1HG1 VAL 3 11.519 5.242 1.431 29 1HG2 VAL 3 2HG2 VAL 3 8.202 3.988 2.634 30 2HG2 VAL 3 3HG2 VAL 3 8.741 5.680 2.767 31 3HG2 VAL 3 1HG2 VAL 3 9.038 4.766 1.269 32 H ALA 4 H ALA 4 8.966 2.518 1.295 33 HA ALA 4 HA ALA 4 9.400 1.232 -0.512 34 1HB ALA 4 3HB ALA 4 11.815 1.047 0.573 35 2HB ALA 4 1HB ALA 4 11.262 -0.593 0.987 36 3HB ALA 4 2HB ALA 4 11.307 -0.072 -0.714 37 H LYS 5 H LYS 5 7.119 0.786 0.066 38 HA LYS 5 HA LYS 5 6.844 -1.946 1.112 39 1HB LYS 5 1HB LYS 5 5.071 0.471 1.527 40 2HB LYS 5 2HB LYS 5 4.533 -1.166 1.836 41 1HG LYS 5 1HG LYS 5 7.087 -0.943 3.091 42 2HG LYS 5 2HG LYS 5 6.237 0.541 3.476 43 1HD LYS 5 1HD LYS 5 5.083 -2.261 3.871 44 2HD LYS 5 2HD LYS 5 5.821 -1.306 5.141 45 1HE LYS 5 1HE LYS 5 3.507 -0.201 3.504 46 2HE LYS 5 2HE LYS 5 3.217 -1.232 4.891 47 1HZ LYS 5 1HZ LYS 5 4.759 1.271 4.938 48 2HZ LYS 5 2HZ LYS 5 3.236 1.081 5.497 49 3HZ LYS 5 3HZ LYS 5 4.475 0.312 6.231 50 H SER 6 H SER 6 4.630 -2.919 0.303 51 HA SER 6 HA SER 6 4.193 -2.041 -2.431 52 1HB SER 6 1HB SER 6 5.675 -3.879 -2.764 53 2HB SER 6 2HB SER 6 4.934 -4.828 -1.490 54 HG SER 6 HG SER 6 3.336 -5.471 -2.817 55 H SER 7 H SER 7 2.147 -3.337 -3.344 56 HA SER 7 HA SER 7 0.289 -3.720 -1.135 57 1HB SER 7 1HB SER 7 -0.320 -1.564 -1.912 58 2HB SER 7 2HB SER 7 -0.017 -1.972 -3.589 59 HG SER 7 HG SER 7 -2.019 -2.716 -3.791 60 H ILE 8 H ILE 8 -0.898 -5.611 -1.308 61 HA ILE 8 HA ILE 8 -0.850 -6.925 -3.936 62 HB ILE 8 HB ILE 8 -0.777 -8.249 -1.224 63 1HG1 ILE 8 1HG1 ILE 8 1.321 -7.158 -1.491 64 2HG1 ILE 8 2HG1 ILE 8 1.568 -8.854 -1.858 65 1HG2 ILE 8 3HG2 ILE 8 -1.872 -9.434 -3.219 66 2HG2 ILE 8 1HG2 ILE 8 -0.229 -9.537 -3.893 67 3HG2 ILE 8 2HG2 ILE 8 -0.599 -10.301 -2.328 68 1HD1 ILE 8 1HD1 ILE 8 0.892 -7.831 -4.350 69 2HD1 ILE 8 2HD1 ILE 8 1.814 -6.494 -3.623 70 3HD1 ILE 8 3HD1 ILE 8 2.553 -8.105 -3.772 71 H LEU 9 H LEU 9 -2.825 -6.950 -4.850 72 HA LEU 9 HA LEU 9 -5.129 -6.657 -3.100 73 1HB LEU 9 1HB LEU 9 -4.824 -5.163 -5.033 74 2HB LEU 9 2HB LEU 9 -4.886 -6.545 -6.110 75 HG LEU 9 HG LEU 9 -7.224 -6.993 -5.100 76 1HD1 LEU 9 2HD1 LEU 9 -6.498 -4.473 -3.779 77 2HD1 LEU 9 3HD1 LEU 9 -8.086 -4.442 -4.582 78 3HD1 LEU 9 1HD1 LEU 9 -7.732 -5.684 -3.358 79 1HD2 LEU 9 3HD2 LEU 9 -6.600 -6.073 -7.406 80 2HD2 LEU 9 1HD2 LEU 9 -8.251 -5.766 -6.812 81 3HD2 LEU 9 2HD2 LEU 9 -7.026 -4.475 -6.749 82 H LEU 10 H LEU 10 -5.830 -8.535 -2.209 83 HA LEU 10 HA LEU 10 -5.623 -10.960 -3.800 84 1HB LEU 10 1HB LEU 10 -6.086 -10.336 -0.905 85 2HB LEU 10 2HB LEU 10 -6.546 -11.900 -1.548 86 HG LEU 10 HG LEU 10 -4.176 -12.187 -2.356 87 1HD1 LEU 10 3HD1 LEU 10 -3.663 -9.720 -2.324 88 2HD1 LEU 10 1HD1 LEU 10 -3.537 -9.844 -0.553 89 3HD1 LEU 10 2HD1 LEU 10 -2.429 -10.772 -1.591 90 1HD2 LEU 10 2HD2 LEU 10 -5.163 -13.103 -0.195 91 2HD2 LEU 10 3HD2 LEU 10 -3.388 -12.998 -0.291 92 3HD2 LEU 10 1HD2 LEU 10 -4.304 -11.783 0.634 93 H ASP 11 H ASP 11 -7.435 -12.271 -4.340 94 HA ASP 11 HA ASP 11 -9.962 -10.837 -4.089 95 1HB ASP 11 1HB ASP 11 -9.307 -10.734 -6.411 96 2HB ASP 11 2HB ASP 11 -8.794 -12.409 -6.418 97 H VAL 12 H VAL 12 -10.719 -12.095 -2.288 98 HA VAL 12 HA VAL 12 -10.569 -14.990 -2.510 99 HB VAL 12 HB VAL 12 -11.566 -13.179 -0.301 100 1HG1 VAL 12 1HG1 VAL 12 -12.546 -15.492 -0.334 101 2HG1 VAL 12 2HG1 VAL 12 -10.894 -16.135 -0.167 102 3HG1 VAL 12 3HG1 VAL 12 -11.589 -15.117 1.119 103 1HG2 VAL 12 1HG2 VAL 12 -9.123 -12.976 -0.843 104 2HG2 VAL 12 2HG2 VAL 12 -9.465 -13.563 0.803 105 3HG2 VAL 12 3HG2 VAL 12 -8.948 -14.706 -0.460 106 H LYS 13 H LYS 13 -12.461 -16.348 -2.421 107 HA LYS 13 HA LYS 13 -14.867 -14.934 -3.339 108 1HB LYS 13 1HB LYS 13 -13.391 -16.788 -4.733 109 2HB LYS 13 2HB LYS 13 -14.617 -17.798 -3.994 110 1HG LYS 13 1HG LYS 13 -16.132 -17.081 -5.516 111 2HG LYS 13 2HG LYS 13 -15.959 -15.441 -4.921 112 1HD LYS 13 1HD LYS 13 -14.149 -14.973 -6.475 113 2HD LYS 13 2HD LYS 13 -14.003 -16.662 -6.917 114 1HE LYS 13 1HE LYS 13 -16.189 -16.642 -8.015 115 2HE LYS 13 2HE LYS 13 -16.547 -15.042 -7.397 116 1HZ LYS 13 1HZ LYS 13 -14.271 -14.590 -8.651 117 2HZ LYS 13 2HZ LYS 13 -14.846 -15.804 -9.581 118 3HZ LYS 13 3HZ LYS 13 -15.730 -14.447 -9.371 119 HA PRO 14 HA PRO 14 -16.658 -16.518 0.277 120 1HB PRO 14 1HB PRO 14 -19.240 -15.745 -0.171 121 2HB PRO 14 2HB PRO 14 -18.020 -14.674 0.488 122 1HG PRO 14 1HG PRO 14 -19.156 -14.731 -2.241 123 2HG PRO 14 2HG PRO 14 -18.276 -13.441 -1.444 124 1HD PRO 14 1HD PRO 14 -17.259 -15.235 -3.438 125 2HD PRO 14 2HD PRO 14 -16.351 -14.022 -2.559 126 H TRP 15 H TRP 15 -17.725 -18.303 1.127 127 HA TRP 15 HA TRP 15 -17.870 -20.462 -0.600 128 1HB TRP 15 1HB TRP 15 -18.489 -19.881 2.192 129 2HB TRP 15 2HB TRP 15 -19.558 -21.086 1.504 130 HD1 TRP 15 HD TRP 15 -16.744 -21.296 3.543 131 HE1 TRP 15 1HE TRP 15 -15.099 -23.317 3.119 132 HE3 TRP 15 3HE TRP 15 -18.398 -22.342 -1.151 133 HZ2 TRP 15 2HZ TRP 15 -14.685 -25.086 0.918 134 HZ3 TRP 15 3HZ TRP 15 -17.320 -24.232 -2.367 135 HH2 TRP 15 HH TRP 15 -15.524 -25.583 -1.407 136 H ASP 16 H ASP 16 -20.143 -17.860 0.170 137 HA ASP 16 HA ASP 16 -21.671 -18.173 -2.007 138 1HB ASP 16 1HB ASP 16 -22.247 -20.293 -0.181 139 2HB ASP 16 2HB ASP 16 -23.599 -19.183 -0.061 140 H ASP 17 H ASP 17 -24.258 -17.428 -1.163 141 HA ASP 17 HA ASP 17 -23.865 -14.850 -0.311 142 1HB ASP 17 1HB ASP 17 -26.154 -14.639 -0.570 143 2HB ASP 17 2HB ASP 17 -25.933 -16.161 -1.411 144 H GLU 18 H GLU 18 -24.148 -17.896 1.430 145 HA GLU 18 HA GLU 18 -25.134 -16.895 3.840 146 1HB GLU 18 1HB GLU 18 -24.413 -19.045 4.783 147 2HB GLU 18 2HB GLU 18 -25.160 -19.300 3.219 148 1HG GLU 18 1HG GLU 18 -22.833 -19.293 2.181 149 2HG GLU 18 2HG GLU 18 -22.163 -19.216 3.799 150 H THR 19 H THR 19 -21.836 -17.260 2.465 151 HA THR 19 HA THR 19 -20.430 -16.693 4.832 152 HB THR 19 HB THR 19 -19.830 -16.511 1.844 153 HG1 THR 19 1HG THR 19 -19.047 -18.152 4.151 154 1HG2 THR 19 2HG2 THR 19 -18.328 -15.288 3.996 155 2HG2 THR 19 3HG2 THR 19 -17.455 -16.747 3.466 156 3HG2 THR 19 1HG2 THR 19 -17.848 -15.469 2.291 157 H ASP 20 H ASP 20 -21.111 -14.974 6.039 158 HA ASP 20 HA ASP 20 -22.149 -12.677 5.264 159 1HB ASP 20 1HB ASP 20 -20.969 -13.652 7.593 160 2HB ASP 20 2HB ASP 20 -19.966 -12.259 7.235 161 H MET 21 H MET 21 -21.225 -10.450 4.875 162 HA MET 21 HA MET 21 -18.667 -10.665 3.493 163 1HB MET 21 1HB MET 21 -21.141 -8.913 3.143 164 2HB MET 21 2HB MET 21 -19.607 -8.400 2.466 165 1HG MET 21 1HG MET 21 -19.891 -11.141 1.723 166 2HG MET 21 2HG MET 21 -21.466 -10.418 1.466 167 1HE MET 21 1HE MET 21 -19.000 -11.646 -0.049 168 2HE MET 21 2HE MET 21 -19.770 -11.125 -1.566 169 3HE MET 21 3HE MET 21 -18.130 -10.562 -1.160 170 H ALA 22 H ALA 22 -20.601 -8.772 5.852 171 HA ALA 22 HA ALA 22 -18.783 -6.678 6.193 172 1HB ALA 22 1HB ALA 22 -21.086 -7.875 7.692 173 2HB ALA 22 2HB ALA 22 -20.015 -6.758 8.572 174 3HB ALA 22 3HB ALA 22 -20.850 -6.213 7.098 175 H LYS 23 H LYS 23 -19.349 -9.592 8.303 176 HA LYS 23 HA LYS 23 -17.151 -9.185 9.920 177 1HB LYS 23 1HB LYS 23 -18.853 -11.548 9.203 178 2HB LYS 23 2HB LYS 23 -17.391 -11.812 10.132 179 1HG LYS 23 1HG LYS 23 -18.767 -9.513 11.233 180 2HG LYS 23 2HG LYS 23 -19.925 -10.816 11.060 181 1HD LYS 23 1HD LYS 23 -18.671 -12.290 12.458 182 2HD LYS 23 2HD LYS 23 -17.201 -11.352 12.288 183 1HE LYS 23 1HE LYS 23 -19.542 -9.907 13.481 184 2HE LYS 23 2HE LYS 23 -18.848 -11.182 14.463 185 1HZ LYS 23 3HZ LYS 23 -16.656 -10.080 13.936 186 2HZ LYS 23 1HZ LYS 23 -17.522 -8.792 13.429 187 3HZ LYS 23 2HZ LYS 23 -17.642 -9.297 14.976 188 H LEU 24 H LEU 24 -17.433 -11.368 7.025 189 HA LEU 24 HA LEU 24 -14.854 -12.238 6.958 190 1HB LEU 24 1HB LEU 24 -17.051 -12.569 5.437 191 2HB LEU 24 2HB LEU 24 -16.109 -11.555 4.362 192 HG LEU 24 HG LEU 24 -15.186 -14.189 5.546 193 1HD1 LEU 24 2HD1 LEU 24 -17.025 -13.845 3.542 194 2HD1 LEU 24 3HD1 LEU 24 -15.500 -13.984 2.634 195 3HD1 LEU 24 1HD1 LEU 24 -15.985 -15.273 3.761 196 1HD2 LEU 24 1HD2 LEU 24 -13.555 -12.167 4.796 197 2HD2 LEU 24 2HD2 LEU 24 -13.141 -13.892 4.647 198 3HD2 LEU 24 3HD2 LEU 24 -13.765 -13.001 3.239 199 H GLU 25 H GLU 25 -16.191 -9.250 5.390 200 HA GLU 25 HA GLU 25 -13.753 -8.426 4.381 201 1HB GLU 25 1HB GLU 25 -15.947 -7.540 3.638 202 2HB GLU 25 2HB GLU 25 -16.182 -6.768 5.194 203 1HG GLU 25 1HG GLU 25 -13.749 -5.720 4.577 204 2HG GLU 25 2HG GLU 25 -14.337 -6.003 2.950 205 H GLU 26 H GLU 26 -15.527 -7.300 7.356 206 HA GLU 26 HA GLU 26 -13.637 -5.582 8.258 207 1HB GLU 26 1HB GLU 26 -15.611 -7.361 9.731 208 2HB GLU 26 2HB GLU 26 -14.590 -6.230 10.594 209 1HG GLU 26 1HG GLU 26 -16.117 -5.198 8.207 210 2HG GLU 26 2HG GLU 26 -17.021 -5.530 9.671 211 H CYS 27 H CYS 27 -13.990 -9.090 9.169 212 HA CYS 27 HA CYS 27 -11.990 -9.431 10.864 213 1HB CYS 27 1HB CYS 27 -13.323 -11.110 8.905 214 2HB CYS 27 2HB CYS 27 -11.647 -11.591 9.086 215 HG CYS 27 HG CYS 27 -13.520 -10.799 11.679 216 H VAL 28 H VAL 28 -11.468 -9.924 7.288 217 HA VAL 28 HA VAL 28 -8.802 -10.048 7.207 218 HB VAL 28 HB VAL 28 -10.748 -8.665 5.369 219 1HG1 VAL 28 1HG1 VAL 28 -7.839 -8.559 5.309 220 2HG1 VAL 28 2HG1 VAL 28 -8.499 -9.334 3.849 221 3HG1 VAL 28 3HG1 VAL 28 -9.033 -7.699 4.307 222 1HG2 VAL 28 2HG2 VAL 28 -10.578 -11.273 5.895 223 2HG2 VAL 28 3HG2 VAL 28 -10.923 -10.662 4.259 224 3HG2 VAL 28 1HG2 VAL 28 -9.274 -11.176 4.687 225 H ARG 29 H ARG 29 -10.760 -7.024 7.472 226 HA ARG 29 HA ARG 29 -8.560 -5.337 7.338 227 1HB ARG 29 1HB ARG 29 -11.273 -4.982 7.336 228 2HB ARG 29 2HB ARG 29 -10.930 -4.502 8.986 229 1HG ARG 29 1HG ARG 29 -8.919 -3.184 7.596 230 2HG ARG 29 2HG ARG 29 -10.234 -3.137 6.439 231 1HD ARG 29 1HD ARG 29 -10.673 -1.200 7.685 232 2HD ARG 29 2HD ARG 29 -11.694 -2.361 8.510 233 HE ARG 29 HE ARG 29 -9.159 -2.488 9.765 234 1HH1 ARG 29 2HH2 ARG 29 -11.733 -0.132 9.312 235 2HH1 ARG 29 1HH2 ARG 29 -11.394 0.713 10.785 236 1HH2 ARG 29 2HH1 ARG 29 -8.712 -1.374 11.710 237 2HH2 ARG 29 1HH1 ARG 29 -9.663 0.001 12.159 238 H SER 30 H SER 30 -10.480 -6.632 10.141 239 HA SER 30 HA SER 30 -9.396 -5.406 12.201 240 1HB SER 30 1HB SER 30 -10.609 -6.994 13.248 241 2HB SER 30 2HB SER 30 -10.701 -7.908 11.756 242 HG SER 30 HG SER 30 -9.005 -9.183 12.360 243 H ILE 31 H ILE 31 -7.899 -8.250 10.507 244 HA ILE 31 HA ILE 31 -5.727 -8.716 11.993 245 HB ILE 31 HB ILE 31 -6.061 -8.608 9.006 246 1HG1 ILE 31 1HG1 ILE 31 -5.561 -11.198 10.192 247 2HG1 ILE 31 2HG1 ILE 31 -6.890 -10.409 11.018 248 1HG2 ILE 31 2HG2 ILE 31 -3.643 -9.573 10.556 249 2HG2 ILE 31 3HG2 ILE 31 -3.960 -9.918 8.839 250 3HG2 ILE 31 1HG2 ILE 31 -3.707 -8.240 9.378 251 1HD1 ILE 31 2HD1 ILE 31 -6.806 -10.337 7.996 252 2HD1 ILE 31 3HD1 ILE 31 -7.345 -11.818 8.822 253 3HD1 ILE 31 1HD1 ILE 31 -8.213 -10.287 9.084 254 H GLN 32 H GLN 32 -4.091 -7.554 12.847 255 HA GLN 32 HA GLN 32 -3.290 -5.182 11.361 256 1HB GLN 32 1HB GLN 32 -4.754 -4.940 13.615 257 2HB GLN 32 2HB GLN 32 -3.180 -5.110 14.364 258 1HG GLN 32 1HG GLN 32 -2.350 -3.265 12.767 259 2HG GLN 32 2HG GLN 32 -4.026 -3.008 12.322 260 1HE2 GLN 32 2HE2 GLN 32 -2.746 -2.188 16.189 261 2HE2 GLN 32 1HE2 GLN 32 -2.003 -3.420 15.224 262 H ALA 33 H ALA 33 -1.029 -4.628 11.523 263 HA ALA 33 HA ALA 33 0.693 -6.184 13.185 264 1HB ALA 33 3HB ALA 33 0.050 -7.116 10.498 265 2HB ALA 33 1HB ALA 33 1.785 -6.747 10.655 266 3HB ALA 33 2HB ALA 33 1.017 -7.903 11.770 267 H ASP 34 H ASP 34 2.753 -5.207 13.355 268 HA ASP 34 HA ASP 34 2.871 -2.545 12.943 269 1HB ASP 34 1HB ASP 34 4.450 -4.252 14.221 270 2HB ASP 34 2HB ASP 34 5.377 -4.244 12.733 271 H GLY 35 H GLY 35 4.424 -5.184 10.957 272 1HA GLY 35 1HA GLY 35 5.092 -3.296 8.847 273 2HA GLY 35 2HA GLY 35 5.518 -4.993 8.944 274 H LEU 36 H LEU 36 2.184 -3.884 9.542 275 HA LEU 36 HA LEU 36 1.440 -4.803 6.863 276 1HB LEU 36 1HB LEU 36 1.188 -6.535 8.772 277 2HB LEU 36 2HB LEU 36 -0.167 -5.550 9.287 278 HG LEU 36 HG LEU 36 -1.060 -5.825 6.885 279 1HD1 LEU 36 1HD1 LEU 36 1.244 -6.777 6.155 280 2HD1 LEU 36 2HD1 LEU 36 0.625 -8.311 6.812 281 3HD1 LEU 36 3HD1 LEU 36 -0.248 -7.489 5.496 282 1HD2 LEU 36 2HD2 LEU 36 -1.926 -6.919 8.987 283 2HD2 LEU 36 3HD2 LEU 36 -2.252 -7.791 7.471 284 3HD2 LEU 36 1HD2 LEU 36 -0.953 -8.345 8.553 285 H VAL 37 H VAL 37 0.033 -3.456 5.832 286 HA VAL 37 HA VAL 37 -1.354 -1.490 7.511 287 HB VAL 37 HB VAL 37 0.268 -1.047 5.006 288 1HG1 VAL 37 1HG1 VAL 37 -2.023 0.054 4.918 289 2HG1 VAL 37 2HG1 VAL 37 -1.507 1.029 6.315 290 3HG1 VAL 37 3HG1 VAL 37 -0.622 1.143 4.774 291 1HG2 VAL 37 2HG2 VAL 37 1.083 -0.927 7.571 292 2HG2 VAL 37 3HG2 VAL 37 1.724 0.136 6.294 293 3HG2 VAL 37 1HG2 VAL 37 0.450 0.727 7.389 294 H TRP 38 H TRP 38 -3.478 -1.030 6.901 295 HA TRP 38 HA TRP 38 -4.503 -2.774 4.777 296 1HB TRP 38 1HB TRP 38 -5.610 -1.763 7.356 297 2HB TRP 38 2HB TRP 38 -6.721 -2.046 6.031 298 HD1 TRP 38 HD TRP 38 -5.641 -3.850 8.914 299 HE1 TRP 38 1HE TRP 38 -5.710 -6.480 8.709 300 HE3 TRP 38 3HE TRP 38 -5.931 -3.972 3.839 301 HZ2 TRP 38 2HZ TRP 38 -5.875 -8.276 6.498 302 HZ3 TRP 38 3HZ TRP 38 -6.042 -6.204 2.736 303 HH2 TRP 38 HH TRP 38 -6.018 -8.308 3.981 304 H GLY 39 H GLY 39 -4.747 -1.714 2.856 305 1HA GLY 39 1HA GLY 39 -4.826 1.145 2.721 306 2HA GLY 39 2HA GLY 39 -4.961 0.004 1.397 307 H SER 40 H SER 40 -7.095 -1.138 1.087 308 HA SER 40 HA SER 40 -9.350 -0.352 2.475 309 1HB SER 40 1HB SER 40 -10.446 1.113 0.779 310 2HB SER 40 2HB SER 40 -9.037 1.865 1.499 311 HG SER 40 HG SER 40 -8.103 0.540 -0.624 312 H SER 41 H SER 41 -10.944 -1.864 1.995 313 HA SER 41 HA SER 41 -10.305 -3.692 -0.118 314 1HB SER 41 1HB SER 41 -12.174 -5.041 0.843 315 2HB SER 41 2HB SER 41 -10.971 -4.611 2.043 316 HG SER 41 HG SER 41 -13.407 -4.296 2.513 317 H LYS 42 H LYS 42 -12.086 -4.455 -1.645 318 HA LYS 42 HA LYS 42 -14.015 -2.317 -2.188 319 1HB LYS 42 1HB LYS 42 -12.533 -3.707 -4.416 320 2HB LYS 42 2HB LYS 42 -13.487 -2.239 -4.479 321 1HG LYS 42 1HG LYS 42 -11.683 -1.363 -2.705 322 2HG LYS 42 2HG LYS 42 -10.697 -2.642 -3.387 323 1HD LYS 42 1HD LYS 42 -10.247 -0.595 -4.629 324 2HD LYS 42 2HD LYS 42 -11.104 -1.698 -5.688 325 1HE LYS 42 1HE LYS 42 -12.604 -0.030 -6.052 326 2HE LYS 42 2HE LYS 42 -13.176 -0.286 -4.415 327 1HZ LYS 42 2HZ LYS 42 -10.807 1.339 -4.725 328 2HZ LYS 42 3HZ LYS 42 -12.218 1.998 -5.218 329 3HZ LYS 42 1HZ LYS 42 -12.047 1.495 -3.673 330 H LEU 43 H LEU 43 -15.883 -3.079 -3.511 331 HA LEU 43 HA LEU 43 -16.288 -5.964 -3.131 332 1HB LEU 43 1HB LEU 43 -17.906 -3.641 -2.286 333 2HB LEU 43 2HB LEU 43 -18.801 -4.948 -3.034 334 HG LEU 43 HG LEU 43 -18.763 -5.138 -0.595 335 1HD1 LEU 43 1HD1 LEU 43 -17.617 -7.237 -2.360 336 2HD1 LEU 43 2HD1 LEU 43 -17.512 -7.509 -0.604 337 3HD1 LEU 43 3HD1 LEU 43 -19.096 -7.240 -1.369 338 1HD2 LEU 43 2HD2 LEU 43 -16.551 -4.045 -0.259 339 2HD2 LEU 43 3HD2 LEU 43 -16.760 -5.554 0.663 340 3HD2 LEU 43 1HD2 LEU 43 -15.769 -5.544 -0.816 341 H VAL 44 H VAL 44 -17.520 -7.049 -4.766 342 HA VAL 44 HA VAL 44 -18.377 -5.534 -7.052 343 HB VAL 44 HB VAL 44 -16.048 -7.454 -7.248 344 1HG1 VAL 44 2HG1 VAL 44 -18.023 -7.123 -9.122 345 2HG1 VAL 44 3HG1 VAL 44 -16.831 -5.904 -9.632 346 3HG1 VAL 44 1HG1 VAL 44 -16.348 -7.610 -9.475 347 1HG2 VAL 44 3HG2 VAL 44 -16.262 -4.453 -7.625 348 2HG2 VAL 44 1HG2 VAL 44 -15.248 -5.345 -6.465 349 3HG2 VAL 44 2HG2 VAL 44 -14.886 -5.422 -8.206 350 HA PRO 45 HA PRO 45 -20.990 -9.026 -6.546 351 1HB PRO 45 1HB PRO 45 -23.123 -8.031 -7.935 352 2HB PRO 45 2HB PRO 45 -22.868 -7.732 -6.226 353 1HG PRO 45 1HG PRO 45 -22.455 -5.902 -8.510 354 2HG PRO 45 2HG PRO 45 -22.619 -5.515 -6.810 355 1HD PRO 45 1HD PRO 45 -20.189 -5.566 -8.332 356 2HD PRO 45 2HD PRO 45 -20.339 -5.293 -6.608 357 H VAL 46 H VAL 46 -21.141 -10.930 -7.593 358 HA VAL 46 HA VAL 46 -20.975 -10.723 -10.506 359 HB VAL 46 HB VAL 46 -18.734 -11.091 -9.975 360 1HG1 VAL 46 1HG1 VAL 46 -19.033 -11.528 -7.566 361 2HG1 VAL 46 2HG1 VAL 46 -19.585 -13.179 -7.940 362 3HG1 VAL 46 3HG1 VAL 46 -17.916 -12.691 -8.318 363 1HG2 VAL 46 3HG2 VAL 46 -20.122 -13.719 -10.541 364 2HG2 VAL 46 1HG2 VAL 46 -19.326 -12.613 -11.686 365 3HG2 VAL 46 2HG2 VAL 46 -18.349 -13.554 -10.534 366 H GLY 47 H GLY 47 -21.491 -12.804 -7.589 367 1HA GLY 47 1HA GLY 47 -22.959 -14.784 -9.043 368 2HA GLY 47 2HA GLY 47 -22.785 -14.639 -7.306 369 H TYR 48 H TYR 48 -25.244 -15.284 -8.756 370 HA TYR 48 HA TYR 48 -27.000 -13.360 -9.322 371 1HB TYR 48 1HB TYR 48 -27.553 -15.761 -9.241 372 2HB TYR 48 2HB TYR 48 -27.155 -15.854 -7.537 373 HD1 TYR 48 2HD TYR 48 -29.566 -14.168 -9.860 374 HD2 TYR 48 1HD TYR 48 -28.870 -15.773 -5.956 375 HE1 TYR 48 2HE TYR 48 -32.009 -13.794 -9.264 376 HE2 TYR 48 1HE TYR 48 -31.316 -15.393 -5.373 377 HH TYR 48 HH TYR 48 -33.159 -14.278 -5.991 378 H GLY 49 H GLY 49 -26.162 -14.416 -5.951 379 1HA GLY 49 1HA GLY 49 -27.109 -11.781 -5.021 380 2HA GLY 49 2HA GLY 49 -27.652 -13.253 -4.242 381 H ILE 50 H ILE 50 -24.390 -13.122 -5.622 382 HA ILE 50 HA ILE 50 -23.339 -12.944 -2.883 383 HB ILE 50 HB ILE 50 -22.484 -14.629 -5.228 384 1HG1 ILE 50 1HG1 ILE 50 -22.572 -16.331 -3.197 385 2HG1 ILE 50 2HG1 ILE 50 -23.665 -15.141 -2.521 386 1HG2 ILE 50 3HG2 ILE 50 -20.946 -14.004 -2.696 387 2HG2 ILE 50 1HG2 ILE 50 -20.580 -15.361 -3.788 388 3HG2 ILE 50 2HG2 ILE 50 -20.454 -13.687 -4.376 389 1HD1 ILE 50 3HD1 ILE 50 -24.595 -15.322 -5.126 390 2HD1 ILE 50 1HD1 ILE 50 -24.068 -16.990 -4.798 391 3HD1 ILE 50 2HD1 ILE 50 -25.269 -16.211 -3.739 392 H LYS 51 H LYS 51 -21.045 -12.075 -2.788 393 HA LYS 51 HA LYS 51 -20.589 -10.155 -4.956 394 1HB LYS 51 1HB LYS 51 -21.418 -9.546 -2.285 395 2HB LYS 51 2HB LYS 51 -19.762 -9.003 -2.476 396 1HG LYS 51 1HG LYS 51 -20.298 -7.533 -4.245 397 2HG LYS 51 2HG LYS 51 -21.745 -8.417 -4.684 398 1HD LYS 51 1HD LYS 51 -23.000 -7.531 -2.863 399 2HD LYS 51 2HD LYS 51 -21.564 -7.069 -1.971 400 1HE LYS 51 1HE LYS 51 -21.139 -5.525 -4.138 401 2HE LYS 51 2HE LYS 51 -22.875 -5.682 -4.308 402 1HZ LYS 51 3HZ LYS 51 -22.626 -5.142 -1.716 403 2HZ LYS 51 1HZ LYS 51 -21.375 -4.282 -2.319 404 3HZ LYS 51 2HZ LYS 51 -22.890 -4.011 -2.864 405 H LYS 52 H LYS 52 -18.265 -9.264 -4.832 406 HA LYS 52 HA LYS 52 -16.544 -11.559 -4.502 407 1HB LYS 52 1HB LYS 52 -16.164 -10.471 -6.523 408 2HB LYS 52 2HB LYS 52 -16.327 -8.872 -5.827 409 1HG LYS 52 1HG LYS 52 -14.148 -8.838 -5.016 410 2HG LYS 52 2HG LYS 52 -14.108 -10.567 -4.729 411 1HD LYS 52 1HD LYS 52 -12.732 -10.504 -6.588 412 2HD LYS 52 2HD LYS 52 -14.268 -10.660 -7.417 413 1HE LYS 52 1HE LYS 52 -14.100 -7.907 -7.054 414 2HE LYS 52 2HE LYS 52 -12.418 -8.338 -7.291 415 1HZ LYS 52 2HZ LYS 52 -13.878 -9.750 -9.148 416 2HZ LYS 52 3HZ LYS 52 -14.454 -8.222 -9.188 417 3HZ LYS 52 1HZ LYS 52 -12.862 -8.502 -9.424 418 H LEU 53 H LEU 53 -14.689 -11.642 -3.141 419 HA LEU 53 HA LEU 53 -14.904 -9.788 -0.880 420 1HB LEU 53 1HB LEU 53 -14.890 -12.569 -0.994 421 2HB LEU 53 2HB LEU 53 -13.269 -12.156 -0.473 422 HG LEU 53 HG LEU 53 -14.798 -12.576 1.408 423 1HD1 LEU 53 3HD1 LEU 53 -13.631 -9.809 1.114 424 2HD1 LEU 53 1HD1 LEU 53 -14.371 -10.376 2.630 425 3HD1 LEU 53 2HD1 LEU 53 -12.957 -11.224 1.957 426 1HD2 LEU 53 1HD2 LEU 53 -16.474 -10.630 -0.035 427 2HD2 LEU 53 2HD2 LEU 53 -16.924 -11.942 1.081 428 3HD2 LEU 53 3HD2 LEU 53 -16.377 -10.375 1.724 429 H GLN 54 H GLN 54 -13.768 -8.379 -2.714 430 HA GLN 54 HA GLN 54 -10.974 -8.993 -2.908 431 1HB GLN 54 1HB GLN 54 -12.046 -8.104 -4.891 432 2HB GLN 54 2HB GLN 54 -12.702 -6.742 -4.008 433 1HG GLN 54 1HG GLN 54 -10.772 -5.545 -4.209 434 2HG GLN 54 2HG GLN 54 -9.784 -6.900 -3.701 435 1HE2 GLN 54 2HE2 GLN 54 -10.327 -5.942 -7.643 436 2HE2 GLN 54 1HE2 GLN 54 -11.138 -5.138 -6.341 437 H ILE 55 H ILE 55 -9.281 -7.882 -1.876 438 HA ILE 55 HA ILE 55 -9.962 -5.591 -0.239 439 HB ILE 55 HB ILE 55 -9.747 -6.508 1.770 440 1HG1 ILE 55 1HG1 ILE 55 -7.304 -6.877 1.354 441 2HG1 ILE 55 2HG1 ILE 55 -8.036 -7.998 2.483 442 1HG2 ILE 55 1HG2 ILE 55 -10.178 -9.033 0.153 443 2HG2 ILE 55 2HG2 ILE 55 -10.390 -8.906 1.916 444 3HG2 ILE 55 3HG2 ILE 55 -11.423 -7.952 0.824 445 1HD1 ILE 55 3HD1 ILE 55 -8.182 -8.933 -0.320 446 2HD1 ILE 55 1HD1 ILE 55 -6.519 -8.720 0.276 447 3HD1 ILE 55 2HD1 ILE 55 -7.642 -9.796 1.140 448 H GLN 56 H GLN 56 -8.140 -4.265 0.233 449 HA GLN 56 HA GLN 56 -5.770 -5.099 -1.252 450 1HB GLN 56 1HB GLN 56 -6.956 -3.202 -2.322 451 2HB GLN 56 2HB GLN 56 -6.870 -2.285 -0.832 452 1HG GLN 56 1HG GLN 56 -5.072 -1.590 -2.384 453 2HG GLN 56 2HG GLN 56 -4.392 -2.295 -0.930 454 1HE2 GLN 56 2HE2 GLN 56 -3.537 -3.776 -4.566 455 2HE2 GLN 56 1HE2 GLN 56 -4.343 -2.277 -4.243 456 H CYS 57 H CYS 57 -3.712 -4.763 -0.286 457 HA CYS 57 HA CYS 57 -3.782 -3.665 2.419 458 1HB CYS 57 1HB CYS 57 -2.082 -5.540 2.993 459 2HB CYS 57 2HB CYS 57 -3.794 -5.912 2.999 460 HG CYS 57 HG CYS 57 -2.308 -6.072 0.120 461 H VAL 58 H VAL 58 -1.346 -3.320 3.153 462 HA VAL 58 HA VAL 58 0.298 -2.680 0.815 463 HB VAL 58 HB VAL 58 -0.377 -0.858 3.132 464 1HG1 VAL 58 3HG1 VAL 58 2.087 -0.931 2.274 465 2HG1 VAL 58 1HG1 VAL 58 1.432 -0.085 0.852 466 3HG1 VAL 58 2HG1 VAL 58 1.274 0.640 2.470 467 1HG2 VAL 58 1HG2 VAL 58 -1.754 -1.222 0.787 468 2HG2 VAL 58 2HG2 VAL 58 -1.753 0.275 1.752 469 3HG2 VAL 58 3HG2 VAL 58 -0.653 0.111 0.360 470 H VAL 59 H VAL 59 1.388 -4.701 1.368 471 HA VAL 59 HA VAL 59 2.641 -4.826 3.965 472 HB VAL 59 HB VAL 59 3.387 -6.984 3.269 473 1HG1 VAL 59 1HG1 VAL 59 0.811 -6.381 3.648 474 2HG1 VAL 59 2HG1 VAL 59 0.694 -6.976 1.975 475 3HG1 VAL 59 3HG1 VAL 59 1.352 -8.029 3.251 476 1HG2 VAL 59 2HG2 VAL 59 3.980 -6.173 0.902 477 2HG2 VAL 59 3HG2 VAL 59 3.362 -7.833 1.075 478 3HG2 VAL 59 1HG2 VAL 59 2.288 -6.541 0.487 479 H GLU 60 H GLU 60 5.133 -5.608 3.776 480 HA GLU 60 HA GLU 60 6.416 -3.320 2.654 481 1HB GLU 60 1HB GLU 60 7.108 -5.500 4.563 482 2HB GLU 60 2HB GLU 60 8.455 -4.896 3.620 483 1HG GLU 60 1HG GLU 60 8.567 -3.277 5.236 484 2HG GLU 60 2HG GLU 60 7.275 -2.522 4.325 485 H ASP 61 H ASP 61 8.843 -4.042 1.711 486 HA ASP 61 HA ASP 61 8.143 -5.253 -0.756 487 1HB ASP 61 1HB ASP 61 9.699 -3.519 -1.020 488 2HB ASP 61 2HB ASP 61 10.572 -3.935 0.441 489 H ASP 62 H ASP 62 10.431 -5.923 1.995 490 HA ASP 62 HA ASP 62 10.239 -8.733 1.301 491 1HB ASP 62 1HB ASP 62 12.375 -7.951 0.358 492 2HB ASP 62 2HB ASP 62 12.802 -7.175 1.872 493 H LYS 63 H LYS 63 9.079 -6.832 3.384 494 HA LYS 63 HA LYS 63 10.336 -7.970 5.781 495 1HB LYS 63 1HB LYS 63 9.771 -5.297 5.115 496 2HB LYS 63 2HB LYS 63 8.544 -5.743 6.283 497 1HG LYS 63 1HG LYS 63 10.141 -5.309 7.854 498 2HG LYS 63 2HG LYS 63 10.788 -6.881 7.427 499 1HD LYS 63 1HD LYS 63 12.267 -5.809 5.716 500 2HD LYS 63 2HD LYS 63 11.617 -4.236 6.138 501 1HE LYS 63 1HE LYS 63 12.926 -6.042 8.217 502 2HE LYS 63 2HE LYS 63 13.863 -4.927 7.243 503 1HZ LYS 63 3HZ LYS 63 11.533 -4.048 8.788 504 2HZ LYS 63 1HZ LYS 63 13.038 -4.079 9.423 505 3HZ LYS 63 2HZ LYS 63 12.713 -3.124 8.139 506 H VAL 64 H VAL 64 7.345 -7.494 3.901 507 HA VAL 64 HA VAL 64 6.147 -9.641 5.426 508 HB VAL 64 HB VAL 64 4.972 -6.862 5.259 509 1HG1 VAL 64 3HG1 VAL 64 3.557 -9.260 5.050 510 2HG1 VAL 64 1HG1 VAL 64 3.407 -8.805 6.764 511 3HG1 VAL 64 2HG1 VAL 64 2.899 -7.667 5.494 512 1HG2 VAL 64 1HG2 VAL 64 6.586 -7.234 7.090 513 2HG2 VAL 64 2HG2 VAL 64 4.932 -6.981 7.700 514 3HG2 VAL 64 3HG2 VAL 64 5.621 -8.622 7.650 515 H GLY 65 H GLY 65 4.999 -10.976 4.086 516 1HA GLY 65 1HA GLY 65 4.380 -9.916 1.391 517 2HA GLY 65 2HA GLY 65 5.035 -11.516 1.675 518 H THR 66 H THR 66 2.812 -11.703 0.297 519 HA THR 66 HA THR 66 0.447 -11.651 1.922 520 HB THR 66 HB THR 66 1.001 -12.833 -0.851 521 HG1 THR 66 1HG THR 66 -0.041 -10.264 0.119 522 1HG2 THR 66 3HG2 THR 66 -1.243 -13.381 0.390 523 2HG2 THR 66 1HG2 THR 66 -1.591 -11.643 0.226 524 3HG2 THR 66 2HG2 THR 66 -1.360 -12.645 -1.226 525 H ASP 67 H ASP 67 2.079 -13.046 3.487 526 HA ASP 67 HA ASP 67 1.384 -15.819 2.923 527 1HB ASP 67 1HB ASP 67 3.176 -16.086 4.909 528 2HB ASP 67 2HB ASP 67 3.671 -15.947 3.233 529 H MET 68 H MET 68 2.240 -13.809 5.848 530 HA MET 68 HA MET 68 0.770 -15.189 7.649 531 1HB MET 68 1HB MET 68 2.336 -12.898 7.632 532 2HB MET 68 2HB MET 68 0.761 -12.203 7.962 533 1HG MET 68 1HG MET 68 2.086 -14.447 9.561 534 2HG MET 68 2HG MET 68 1.938 -12.778 10.074 535 1HE MET 68 1HE MET 68 -0.256 -11.575 10.627 536 2HE MET 68 2HE MET 68 -0.956 -11.956 9.035 537 3HE MET 68 3HE MET 68 -1.880 -12.297 10.518 538 H LEU 69 H LEU 69 -0.306 -12.571 5.430 539 HA LEU 69 HA LEU 69 -2.817 -12.170 6.585 540 1HB LEU 69 1HB LEU 69 -1.534 -11.609 3.954 541 2HB LEU 69 2HB LEU 69 -3.278 -11.477 4.066 542 HG LEU 69 HG LEU 69 -1.193 -9.898 5.578 543 1HD1 LEU 69 2HD1 LEU 69 -2.292 -9.421 3.147 544 2HD1 LEU 69 3HD1 LEU 69 -3.447 -8.572 4.202 545 3HD1 LEU 69 1HD1 LEU 69 -1.718 -8.153 4.257 546 1HD2 LEU 69 3HD2 LEU 69 -3.951 -10.543 6.374 547 2HD2 LEU 69 1HD2 LEU 69 -2.583 -9.936 7.335 548 3HD2 LEU 69 2HD2 LEU 69 -3.564 -8.805 6.374 549 H GLU 70 H GLU 70 -1.990 -14.043 3.576 550 HA GLU 70 HA GLU 70 -4.399 -15.149 3.170 551 1HB GLU 70 1HB GLU 70 -2.395 -15.392 1.695 552 2HB GLU 70 2HB GLU 70 -1.707 -16.542 2.824 553 1HG GLU 70 1HG GLU 70 -4.023 -17.813 2.506 554 2HG GLU 70 2HG GLU 70 -4.133 -16.862 1.039 555 H GLU 71 H GLU 71 -1.724 -16.649 5.134 556 HA GLU 71 HA GLU 71 -3.050 -18.862 5.931 557 1HB GLU 71 1HB GLU 71 -0.755 -17.288 6.864 558 2HB GLU 71 2HB GLU 71 -1.566 -18.088 8.196 559 1HG GLU 71 1HG GLU 71 -1.337 -19.896 5.904 560 2HG GLU 71 2HG GLU 71 0.235 -19.255 6.333 561 H GLN 72 H GLN 72 -3.732 -15.547 6.751 562 HA GLN 72 HA GLN 72 -5.269 -16.381 9.063 563 1HB GLN 72 1HB GLN 72 -3.674 -14.365 9.106 564 2HB GLN 72 2HB GLN 72 -4.817 -13.541 8.065 565 1HG GLN 72 1HG GLN 72 -6.170 -13.057 9.821 566 2HG GLN 72 2HG GLN 72 -6.258 -14.745 10.285 567 1HE2 GLN 72 2HE2 GLN 72 -4.849 -13.064 13.189 568 2HE2 GLN 72 1HE2 GLN 72 -6.340 -13.199 12.319 569 H ILE 73 H ILE 73 -5.582 -14.612 5.917 570 HA ILE 73 HA ILE 73 -8.361 -14.246 6.130 571 HB ILE 73 HB ILE 73 -6.642 -14.364 3.650 572 1HG1 ILE 73 1HG1 ILE 73 -5.536 -12.788 4.950 573 2HG1 ILE 73 2HG1 ILE 73 -6.642 -11.812 4.002 574 1HG2 ILE 73 3HG2 ILE 73 -9.460 -13.742 4.150 575 2HG2 ILE 73 1HG2 ILE 73 -8.593 -12.460 3.271 576 3HG2 ILE 73 2HG2 ILE 73 -8.614 -14.120 2.631 577 1HD1 ILE 73 3HD1 ILE 73 -8.276 -12.252 6.090 578 2HD1 ILE 73 1HD1 ILE 73 -6.724 -12.477 6.934 579 3HD1 ILE 73 2HD1 ILE 73 -7.075 -10.939 6.108 580 H THR 74 H THR 74 -6.403 -16.633 4.207 581 HA THR 74 HA THR 74 -8.710 -18.137 3.504 582 HB THR 74 HB THR 74 -7.029 -19.625 2.495 583 HG1 THR 74 1HG THR 74 -5.282 -19.818 3.850 584 1HG2 THR 74 1HG2 THR 74 -7.265 -17.206 1.538 585 2HG2 THR 74 2HG2 THR 74 -5.752 -16.856 2.409 586 3HG2 THR 74 3HG2 THR 74 -5.777 -18.093 1.130 587 H ALA 75 H ALA 75 -6.823 -17.893 6.392 588 HA ALA 75 HA ALA 75 -6.800 -20.427 7.382 589 1HB ALA 75 3HB ALA 75 -6.461 -17.787 8.330 590 2HB ALA 75 1HB ALA 75 -7.659 -18.535 9.413 591 3HB ALA 75 2HB ALA 75 -6.067 -19.299 9.183 592 H PHE 76 H PHE 76 -9.564 -18.327 6.724 593 HA PHE 76 HA PHE 76 -11.321 -20.052 8.265 594 1HB PHE 76 1HB PHE 76 -11.253 -17.323 7.073 595 2HB PHE 76 2HB PHE 76 -12.780 -18.127 6.765 596 HD1 PHE 76 2HD PHE 76 -10.574 -18.298 9.766 597 HD2 PHE 76 1HD PHE 76 -14.315 -17.095 8.165 598 HE1 PHE 76 2HE PHE 76 -11.361 -17.684 12.068 599 HE2 PHE 76 1HE PHE 76 -15.102 -16.481 10.467 600 HZ PHE 76 HZ PHE 76 -13.617 -16.783 12.392 601 H GLU 77 H GLU 77 -11.524 -22.013 7.168 602 HA GLU 77 HA GLU 77 -11.966 -21.921 4.334 603 1HB GLU 77 1HB GLU 77 -12.288 -24.548 4.975 604 2HB GLU 77 2HB GLU 77 -10.726 -23.809 4.685 605 1HG GLU 77 1HG GLU 77 -10.321 -23.501 7.052 606 2HG GLU 77 2HG GLU 77 -11.987 -23.864 7.459 607 H ASP 78 H ASP 78 -13.854 -21.449 7.067 608 HA ASP 78 HA ASP 78 -16.139 -22.840 5.967 609 1HB ASP 78 1HB ASP 78 -15.242 -22.176 8.603 610 2HB ASP 78 2HB ASP 78 -16.706 -21.248 8.342 611 H TYR 79 H TYR 79 -14.766 -20.310 4.850 612 HA TYR 79 HA TYR 79 -17.190 -18.791 4.487 613 1HB TYR 79 1HB TYR 79 -14.697 -17.940 6.023 614 2HB TYR 79 2HB TYR 79 -15.512 -16.723 5.062 615 HD1 TYR 79 2HD TYR 79 -15.983 -19.111 7.876 616 HD2 TYR 79 1HD TYR 79 -17.498 -15.667 5.838 617 HE1 TYR 79 2HE TYR 79 -17.622 -18.701 9.775 618 HE2 TYR 79 1HE TYR 79 -19.133 -15.269 7.744 619 HH TYR 79 HH TYR 79 -20.210 -17.129 9.611 620 H VAL 80 H VAL 80 -13.620 -19.067 3.977 621 HA VAL 80 HA VAL 80 -13.846 -17.670 1.460 622 HB VAL 80 HB VAL 80 -11.573 -18.932 2.993 623 1HG1 VAL 80 2HG1 VAL 80 -11.687 -17.940 0.182 624 2HG1 VAL 80 3HG1 VAL 80 -10.265 -17.490 1.153 625 3HG1 VAL 80 1HG1 VAL 80 -10.672 -19.206 0.913 626 1HG2 VAL 80 2HG2 VAL 80 -12.596 -16.137 2.583 627 2HG2 VAL 80 3HG2 VAL 80 -12.047 -16.944 4.073 628 3HG2 VAL 80 1HG2 VAL 80 -10.859 -16.403 2.862 629 H GLN 81 H GLN 81 -14.141 -18.608 -0.505 630 HA GLN 81 HA GLN 81 -14.450 -21.455 -0.519 631 1HB GLN 81 1HB GLN 81 -16.047 -19.846 -1.657 632 2HB GLN 81 2HB GLN 81 -14.784 -19.473 -2.812 633 1HG GLN 81 1HG GLN 81 -14.715 -22.178 -3.011 634 2HG GLN 81 2HG GLN 81 -16.378 -22.003 -2.487 635 1HE2 GLN 81 2HE2 GLN 81 -17.320 -21.601 -5.802 636 2HE2 GLN 81 1HE2 GLN 81 -17.409 -22.497 -4.323 637 H SER 82 H SER 82 -12.168 -18.972 -1.656 638 HA SER 82 HA SER 82 -10.063 -20.658 -1.840 639 1HB SER 82 1HB SER 82 -9.804 -20.816 -4.395 640 2HB SER 82 2HB SER 82 -10.962 -21.904 -3.654 641 HG SER 82 HG SER 82 -11.808 -19.337 -4.646 642 H MET 83 H MET 83 -8.538 -19.109 -1.403 643 HA MET 83 HA MET 83 -8.965 -16.459 -2.401 644 1HB MET 83 1HB MET 83 -8.179 -16.604 -0.123 645 2HB MET 83 2HB MET 83 -6.981 -17.818 -0.524 646 1HG MET 83 1HG MET 83 -6.772 -15.095 -1.828 647 2HG MET 83 2HG MET 83 -6.270 -15.268 -0.158 648 1HE MET 83 1HE MET 83 -4.197 -14.953 0.021 649 2HE MET 83 2HE MET 83 -2.840 -15.965 -0.528 650 3HE MET 83 3HE MET 83 -3.433 -14.639 -1.556 651 H ASP 84 H ASP 84 -7.369 -15.236 -3.648 652 HA ASP 84 HA ASP 84 -5.282 -16.788 -4.863 653 1HB ASP 84 1HB ASP 84 -7.755 -15.857 -6.279 654 2HB ASP 84 2HB ASP 84 -6.245 -15.583 -7.125 655 H VAL 85 H VAL 85 -4.466 -14.985 -6.846 656 HA VAL 85 HA VAL 85 -4.145 -12.491 -5.323 657 HB VAL 85 HB VAL 85 -2.295 -13.952 -7.213 658 1HG1 VAL 85 3HG1 VAL 85 -2.429 -11.105 -6.520 659 2HG1 VAL 85 1HG1 VAL 85 -0.850 -11.843 -6.159 660 3HG1 VAL 85 2HG1 VAL 85 -1.518 -11.932 -7.806 661 1HG2 VAL 85 1HG2 VAL 85 -2.438 -13.553 -4.258 662 2HG2 VAL 85 2HG2 VAL 85 -1.886 -14.957 -5.201 663 3HG2 VAL 85 3HG2 VAL 85 -0.828 -13.538 -5.014 664 H ALA 86 H ALA 86 -4.724 -10.576 -6.287 665 HA ALA 86 HA ALA 86 -6.018 -10.829 -8.881 666 1HB ALA 86 2HB ALA 86 -7.007 -9.734 -6.734 667 2HB ALA 86 3HB ALA 86 -5.945 -8.362 -7.131 668 3HB ALA 86 1HB ALA 86 -7.197 -8.882 -8.284 669 H ALA 87 H ALA 87 -3.154 -9.481 -7.287 670 HA ALA 87 HA ALA 87 -1.830 -9.087 -9.711 671 1HB ALA 87 1HB ALA 87 -3.494 -7.189 -9.852 672 2HB ALA 87 2HB ALA 87 -2.735 -6.496 -8.399 673 3HB ALA 87 3HB ALA 87 -1.789 -6.680 -9.897 674 H PHE 88 H PHE 88 0.398 -8.513 -9.347 675 HA PHE 88 HA PHE 88 1.087 -8.215 -6.515 676 1HB PHE 88 1HB PHE 88 1.382 -10.517 -8.138 677 2HB PHE 88 2HB PHE 88 2.955 -9.756 -8.263 678 HD1 PHE 88 1HD PHE 88 0.478 -10.428 -5.538 679 HD2 PHE 88 2HD PHE 88 4.528 -10.560 -6.800 680 HE1 PHE 88 1HE PHE 88 1.135 -11.421 -3.327 681 HE2 PHE 88 2HE PHE 88 5.185 -11.552 -4.589 682 HZ PHE 88 HZ PHE 88 3.481 -11.971 -2.880 683 H ASN 89 H ASN 89 1.708 -6.050 -6.619 684 HA ASN 89 HA ASN 89 4.139 -5.608 -8.071 685 1HB ASN 89 1HB ASN 89 3.272 -3.454 -9.073 686 2HB ASN 89 2HB ASN 89 2.492 -4.874 -9.742 687 1HD2 ASN 89 2HD2 ASN 89 -0.251 -2.578 -9.149 688 2HD2 ASN 89 1HD2 ASN 89 1.095 -2.822 -10.212 689 H LYS 90 H LYS 90 4.946 -3.229 -7.457 690 HA LYS 90 HA LYS 90 4.663 -2.995 -4.619 691 1HB LYS 90 1HB LYS 90 6.829 -2.741 -5.795 692 2HB LYS 90 2HB LYS 90 6.224 -1.307 -6.599 693 1HG LYS 90 1HG LYS 90 5.849 -0.216 -4.379 694 2HG LYS 90 2HG LYS 90 6.447 -1.652 -3.570 695 1HD LYS 90 1HD LYS 90 8.316 -0.159 -3.656 696 2HD LYS 90 2HD LYS 90 8.630 -1.360 -4.893 697 1HE LYS 90 1HE LYS 90 8.729 0.266 -6.470 698 2HE LYS 90 2HE LYS 90 7.073 0.722 -6.122 699 1HZ LYS 90 3HZ LYS 90 8.250 1.860 -4.099 700 2HZ LYS 90 1HZ LYS 90 9.525 1.873 -5.119 701 3HZ LYS 90 2HZ LYS 90 8.130 2.606 -5.548 702 H ILE 91 H ILE 91 4.280 -0.839 -3.621 703 HA ILE 91 HA ILE 91 2.003 0.508 -4.996 704 HB ILE 91 HB ILE 91 1.366 -0.753 -2.968 705 1HG1 ILE 91 1HG1 ILE 91 1.099 1.860 -1.758 706 2HG1 ILE 91 2HG1 ILE 91 0.911 2.006 -3.521 707 1HG2 ILE 91 3HG2 ILE 91 3.819 -0.178 -2.011 708 2HG2 ILE 91 1HG2 ILE 91 2.911 1.144 -1.239 709 3HG2 ILE 91 2HG2 ILE 91 2.446 -0.547 -0.940 710 1HD1 ILE 91 1HD1 ILE 91 -0.624 -0.105 -3.282 711 2HD1 ILE 91 2HD1 ILE 91 -0.699 0.355 -1.564 712 3HD1 ILE 91 3HD1 ILE 91 -1.270 1.486 -2.815 No H/Q in entry = 712 Start of MODEL 14 1 1H MET 1 3HN MET 1 8.807 3.919 -4.116 2 2H MET 1 H MET 1 8.083 3.590 -5.568 3 3H MET 1 2HN MET 1 9.268 4.743 -5.477 4 HA MET 1 HA MET 1 7.807 6.276 -5.152 5 1HB MET 1 1HB MET 1 6.355 4.470 -6.337 6 2HB MET 1 2HB MET 1 5.655 4.196 -4.724 7 1HG MET 1 1HG MET 1 4.592 6.207 -4.692 8 2HG MET 1 2HG MET 1 5.911 7.036 -5.537 9 1HE MET 1 3HE MET 1 6.134 7.461 -7.889 10 2HE MET 1 1HE MET 1 4.693 7.619 -8.921 11 3HE MET 1 2HE MET 1 4.772 8.481 -7.367 12 H LEU 2 H LEU 2 6.741 3.547 -2.950 13 HA LEU 2 HA LEU 2 6.462 5.520 -0.844 14 1HB LEU 2 1HB LEU 2 5.415 2.851 -1.451 15 2HB LEU 2 2HB LEU 2 5.872 3.056 0.229 16 HG LEU 2 HG LEU 2 4.462 5.267 0.063 17 1HD1 LEU 2 3HD1 LEU 2 3.784 3.843 -2.448 18 2HD1 LEU 2 1HD1 LEU 2 2.419 4.505 -1.516 19 3HD1 LEU 2 2HD1 LEU 2 3.734 5.578 -2.052 20 1HD2 LEU 2 1HD2 LEU 2 3.959 3.378 1.530 21 2HD2 LEU 2 2HD2 LEU 2 2.477 4.048 0.807 22 3HD2 LEU 2 3HD2 LEU 2 3.166 2.530 0.181 23 H VAL 3 H VAL 3 7.102 3.941 1.409 24 HA VAL 3 HA VAL 3 10.014 3.805 1.079 25 HB VAL 3 HB VAL 3 9.617 5.441 2.638 26 1HG1 VAL 3 3HG1 VAL 3 7.186 3.838 3.369 27 2HG1 VAL 3 1HG1 VAL 3 7.865 4.982 4.551 28 3HG1 VAL 3 2HG1 VAL 3 7.333 5.563 2.955 29 1HG2 VAL 3 1HG2 VAL 3 11.054 3.576 3.541 30 2HG2 VAL 3 2HG2 VAL 3 10.300 4.610 4.778 31 3HG2 VAL 3 3HG2 VAL 3 9.627 2.998 4.436 32 H ALA 4 H ALA 4 10.659 1.741 0.704 33 HA ALA 4 HA ALA 4 10.577 -0.503 0.701 34 1HB ALA 4 3HB ALA 4 11.755 0.448 2.881 35 2HB ALA 4 1HB ALA 4 10.395 -0.355 3.701 36 3HB ALA 4 2HB ALA 4 11.499 -1.301 2.675 37 H LYS 5 H LYS 5 8.093 0.210 -0.015 38 HA LYS 5 HA LYS 5 6.444 -1.645 1.538 39 1HB LYS 5 1HB LYS 5 5.785 1.200 0.787 40 2HB LYS 5 2HB LYS 5 4.517 0.010 1.000 41 1HG LYS 5 1HG LYS 5 6.652 0.284 3.129 42 2HG LYS 5 2HG LYS 5 5.358 1.464 3.064 43 1HD LYS 5 1HD LYS 5 3.781 -0.668 2.945 44 2HD LYS 5 2HD LYS 5 5.174 -1.516 3.588 45 1HE LYS 5 1HE LYS 5 5.182 0.558 5.317 46 2HE LYS 5 2HE LYS 5 3.485 0.620 4.882 47 1HZ LYS 5 3HZ LYS 5 3.514 -1.847 5.358 48 2HZ LYS 5 1HZ LYS 5 4.945 -1.597 6.104 49 3HZ LYS 5 2HZ LYS 5 3.599 -0.844 6.644 50 H SER 6 H SER 6 4.355 -2.158 0.159 51 HA SER 6 HA SER 6 4.832 -1.964 -2.650 52 1HB SER 6 1HB SER 6 6.199 -3.922 -2.185 53 2HB SER 6 2HB SER 6 4.938 -4.643 -1.204 54 HG SER 6 HG SER 6 4.531 -5.654 -3.080 55 H SER 7 H SER 7 2.935 -3.124 -3.872 56 HA SER 7 HA SER 7 0.572 -2.884 -2.177 57 1HB SER 7 1HB SER 7 0.047 -1.243 -3.668 58 2HB SER 7 2HB SER 7 1.248 -1.779 -4.826 59 HG SER 7 HG SER 7 -0.198 -3.310 -5.666 60 H ILE 8 H ILE 8 -0.803 -4.655 -2.072 61 HA ILE 8 HA ILE 8 -0.513 -6.703 -4.131 62 HB ILE 8 HB ILE 8 -0.166 -7.107 -1.167 63 1HG1 ILE 8 1HG1 ILE 8 1.608 -8.376 -3.180 64 2HG1 ILE 8 2HG1 ILE 8 1.712 -6.631 -3.067 65 1HG2 ILE 8 3HG2 ILE 8 -1.815 -8.730 -2.097 66 2HG2 ILE 8 1HG2 ILE 8 -0.563 -9.282 -3.236 67 3HG2 ILE 8 2HG2 ILE 8 -0.321 -9.479 -1.484 68 1HD1 ILE 8 3HD1 ILE 8 1.854 -8.468 -0.636 69 2HD1 ILE 8 1HD1 ILE 8 3.286 -7.880 -1.515 70 3HD1 ILE 8 2HD1 ILE 8 2.212 -6.725 -0.690 71 H LEU 9 H LEU 9 -2.483 -7.116 -4.962 72 HA LEU 9 HA LEU 9 -4.783 -6.499 -3.253 73 1HB LEU 9 1HB LEU 9 -4.432 -5.257 -5.415 74 2HB LEU 9 2HB LEU 9 -4.703 -6.770 -6.257 75 HG LEU 9 HG LEU 9 -6.964 -6.873 -5.066 76 1HD1 LEU 9 1HD1 LEU 9 -6.013 -4.815 -3.566 77 2HD1 LEU 9 2HD1 LEU 9 -6.974 -3.936 -4.779 78 3HD1 LEU 9 3HD1 LEU 9 -7.738 -5.198 -3.784 79 1HD2 LEU 9 3HD2 LEU 9 -6.166 -5.022 -7.266 80 2HD2 LEU 9 1HD2 LEU 9 -7.212 -6.462 -7.294 81 3HD2 LEU 9 2HD2 LEU 9 -7.832 -4.924 -6.646 82 H LEU 10 H LEU 10 -6.095 -8.115 -2.552 83 HA LEU 10 HA LEU 10 -5.728 -10.727 -3.848 84 1HB LEU 10 1HB LEU 10 -5.973 -10.035 -0.925 85 2HB LEU 10 2HB LEU 10 -6.278 -11.647 -1.541 86 HG LEU 10 HG LEU 10 -3.687 -10.419 -2.325 87 1HD1 LEU 10 3HD1 LEU 10 -4.382 -10.060 0.286 88 2HD1 LEU 10 1HD1 LEU 10 -3.588 -11.652 0.351 89 3HD1 LEU 10 2HD1 LEU 10 -2.715 -10.248 -0.310 90 1HD2 LEU 10 3HD2 LEU 10 -4.791 -12.892 -2.586 91 2HD2 LEU 10 1HD2 LEU 10 -3.046 -12.549 -2.627 92 3HD2 LEU 10 2HD2 LEU 10 -3.807 -13.107 -1.118 93 H ASP 11 H ASP 11 -7.613 -12.024 -4.102 94 HA ASP 11 HA ASP 11 -10.076 -10.584 -3.518 95 1HB ASP 11 1HB ASP 11 -9.014 -11.088 -6.080 96 2HB ASP 11 2HB ASP 11 -10.209 -12.354 -5.873 97 H VAL 12 H VAL 12 -10.973 -11.896 -1.898 98 HA VAL 12 HA VAL 12 -10.597 -14.774 -2.095 99 HB VAL 12 HB VAL 12 -11.896 -13.138 0.089 100 1HG1 VAL 12 1HG1 VAL 12 -11.564 -15.960 -0.351 101 2HG1 VAL 12 2HG1 VAL 12 -10.609 -15.470 1.068 102 3HG1 VAL 12 3HG1 VAL 12 -12.353 -15.119 1.004 103 1HG2 VAL 12 2HG2 VAL 12 -9.061 -13.456 -0.638 104 2HG2 VAL 12 3HG2 VAL 12 -9.851 -12.259 0.415 105 3HG2 VAL 12 1HG2 VAL 12 -9.427 -13.865 1.055 106 H LYS 13 H LYS 13 -12.366 -16.264 -2.139 107 HA LYS 13 HA LYS 13 -14.841 -15.019 -3.115 108 1HB LYS 13 1HB LYS 13 -13.189 -16.762 -4.451 109 2HB LYS 13 2HB LYS 13 -14.368 -17.857 -3.757 110 1HG LYS 13 1HG LYS 13 -15.752 -17.285 -5.464 111 2HG LYS 13 2HG LYS 13 -15.946 -15.729 -4.682 112 1HD LYS 13 1HD LYS 13 -13.883 -14.915 -5.930 113 2HD LYS 13 2HD LYS 13 -13.860 -16.439 -6.796 114 1HE LYS 13 1HE LYS 13 -16.390 -14.762 -6.754 115 2HE LYS 13 2HE LYS 13 -15.093 -14.359 -7.861 116 1HZ LYS 13 1HZ LYS 13 -15.432 -17.060 -8.073 117 2HZ LYS 13 2HZ LYS 13 -16.949 -16.457 -8.023 118 3HZ LYS 13 3HZ LYS 13 -15.897 -15.929 -9.155 119 HA PRO 14 HA PRO 14 -16.579 -16.719 0.486 120 1HB PRO 14 1HB PRO 14 -19.161 -15.926 0.073 121 2HB PRO 14 2HB PRO 14 -17.941 -14.886 0.780 122 1HG PRO 14 1HG PRO 14 -19.077 -14.819 -1.947 123 2HG PRO 14 2HG PRO 14 -18.198 -13.566 -1.093 124 1HD PRO 14 1HD PRO 14 -17.181 -15.267 -3.166 125 2HD PRO 14 2HD PRO 14 -16.272 -14.096 -2.232 126 H TRP 15 H TRP 15 -17.249 -18.686 1.140 127 HA TRP 15 HA TRP 15 -17.552 -20.674 -0.696 128 1HB TRP 15 1HB TRP 15 -18.226 -20.321 2.168 129 2HB TRP 15 2HB TRP 15 -19.015 -21.652 1.346 130 HD1 TRP 15 HD TRP 15 -16.031 -21.126 3.311 131 HE1 TRP 15 1HE TRP 15 -14.105 -22.882 2.901 132 HE3 TRP 15 3HE TRP 15 -17.891 -22.933 -1.063 133 HZ2 TRP 15 2HZ TRP 15 -13.586 -24.786 0.840 134 HZ3 TRP 15 3HZ TRP 15 -16.614 -24.740 -2.210 135 HH2 TRP 15 HH TRP 15 -14.531 -25.665 -1.327 136 H ASP 16 H ASP 16 -19.884 -18.256 0.468 137 HA ASP 16 HA ASP 16 -21.536 -18.584 -1.693 138 1HB ASP 16 1HB ASP 16 -22.111 -20.393 0.582 139 2HB ASP 16 2HB ASP 16 -23.488 -19.404 0.142 140 H ASP 17 H ASP 17 -23.718 -17.312 -1.258 141 HA ASP 17 HA ASP 17 -23.219 -14.881 -0.308 142 1HB ASP 17 1HB ASP 17 -25.895 -15.149 0.363 143 2HB ASP 17 2HB ASP 17 -25.293 -14.783 -1.241 144 H GLU 18 H GLU 18 -23.944 -17.834 1.512 145 HA GLU 18 HA GLU 18 -24.887 -16.744 3.851 146 1HB GLU 18 1HB GLU 18 -24.162 -18.872 4.897 147 2HB GLU 18 2HB GLU 18 -24.953 -19.152 3.359 148 1HG GLU 18 1HG GLU 18 -22.731 -19.342 2.238 149 2HG GLU 18 2HG GLU 18 -21.927 -19.030 3.763 150 H THR 19 H THR 19 -21.554 -17.117 2.593 151 HA THR 19 HA THR 19 -20.169 -16.606 4.958 152 HB THR 19 HB THR 19 -19.629 -16.280 1.981 153 HG1 THR 19 1HG THR 19 -18.619 -18.234 2.465 154 1HG2 THR 19 2HG2 THR 19 -17.667 -15.796 4.286 155 2HG2 THR 19 3HG2 THR 19 -17.238 -15.900 2.561 156 3HG2 THR 19 1HG2 THR 19 -18.233 -14.547 3.151 157 H ASP 20 H ASP 20 -20.725 -14.989 6.315 158 HA ASP 20 HA ASP 20 -21.897 -12.667 5.683 159 1HB ASP 20 1HB ASP 20 -20.449 -13.768 7.921 160 2HB ASP 20 2HB ASP 20 -19.914 -12.112 7.716 161 H MET 21 H MET 21 -21.182 -11.352 3.965 162 HA MET 21 HA MET 21 -18.529 -11.123 3.220 163 1HB MET 21 1HB MET 21 -20.841 -9.151 2.792 164 2HB MET 21 2HB MET 21 -19.383 -9.218 1.824 165 1HG MET 21 1HG MET 21 -21.521 -11.389 2.048 166 2HG MET 21 2HG MET 21 -21.177 -10.401 0.641 167 1HE MET 21 2HE MET 21 -18.603 -10.140 -0.107 168 2HE MET 21 3HE MET 21 -17.841 -11.642 -0.683 169 3HE MET 21 1HE MET 21 -19.471 -11.201 -1.242 170 H ALA 22 H ALA 22 -20.533 -9.280 5.535 171 HA ALA 22 HA ALA 22 -18.800 -7.078 5.782 172 1HB ALA 22 3HB ALA 22 -20.864 -8.295 7.661 173 2HB ALA 22 1HB ALA 22 -20.095 -6.706 7.894 174 3HB ALA 22 2HB ALA 22 -21.133 -6.992 6.477 175 H LYS 23 H LYS 23 -19.046 -10.273 7.429 176 HA LYS 23 HA LYS 23 -16.995 -9.637 9.301 177 1HB LYS 23 1HB LYS 23 -18.985 -11.393 9.359 178 2HB LYS 23 2HB LYS 23 -17.784 -12.452 8.648 179 1HG LYS 23 1HG LYS 23 -16.885 -12.775 10.701 180 2HG LYS 23 2HG LYS 23 -16.439 -11.080 10.753 181 1HD LYS 23 1HD LYS 23 -18.966 -10.708 11.465 182 2HD LYS 23 2HD LYS 23 -18.924 -12.414 11.863 183 1HE LYS 23 1HE LYS 23 -16.619 -10.784 12.871 184 2HE LYS 23 2HE LYS 23 -18.174 -10.440 13.603 185 1HZ LYS 23 3HZ LYS 23 -17.553 -13.228 13.318 186 2HZ LYS 23 1HZ LYS 23 -16.598 -12.415 14.363 187 3HZ LYS 23 2HZ LYS 23 -18.216 -12.432 14.580 188 H LEU 24 H LEU 24 -17.208 -11.477 6.198 189 HA LEU 24 HA LEU 24 -14.565 -12.364 6.213 190 1HB LEU 24 1HB LEU 24 -16.798 -12.679 4.639 191 2HB LEU 24 2HB LEU 24 -15.723 -11.779 3.585 192 HG LEU 24 HG LEU 24 -15.368 -14.523 4.762 193 1HD1 LEU 24 1HD1 LEU 24 -16.344 -13.807 2.394 194 2HD1 LEU 24 2HD1 LEU 24 -14.614 -13.772 1.977 195 3HD1 LEU 24 3HD1 LEU 24 -15.346 -15.266 2.609 196 1HD2 LEU 24 3HD2 LEU 24 -13.179 -12.630 3.921 197 2HD2 LEU 24 1HD2 LEU 24 -13.291 -13.654 5.373 198 3HD2 LEU 24 2HD2 LEU 24 -12.992 -14.396 3.783 199 H GLU 25 H GLU 25 -16.090 -9.305 5.109 200 HA GLU 25 HA GLU 25 -13.703 -8.368 3.934 201 1HB GLU 25 1HB GLU 25 -15.957 -7.589 3.236 202 2HB GLU 25 2HB GLU 25 -16.211 -6.869 4.813 203 1HG GLU 25 1HG GLU 25 -13.769 -5.763 4.079 204 2HG GLU 25 2HG GLU 25 -14.580 -5.891 2.530 205 H GLU 26 H GLU 26 -15.403 -7.832 7.079 206 HA GLU 26 HA GLU 26 -13.603 -5.917 7.995 207 1HB GLU 26 1HB GLU 26 -15.619 -5.933 9.170 208 2HB GLU 26 2HB GLU 26 -15.702 -7.682 9.233 209 1HG GLU 26 1HG GLU 26 -14.439 -7.814 11.153 210 2HG GLU 26 2HG GLU 26 -13.360 -6.523 10.660 211 H CYS 27 H CYS 27 -13.872 -9.484 8.639 212 HA CYS 27 HA CYS 27 -11.901 -9.870 10.385 213 1HB CYS 27 1HB CYS 27 -13.314 -11.652 9.384 214 2HB CYS 27 2HB CYS 27 -12.352 -11.587 7.920 215 HG CYS 27 HG CYS 27 -11.959 -13.484 10.126 216 H VAL 28 H VAL 28 -11.388 -9.967 6.773 217 HA VAL 28 HA VAL 28 -8.723 -10.132 6.654 218 HB VAL 28 HB VAL 28 -10.793 -8.739 5.032 219 1HG1 VAL 28 1HG1 VAL 28 -7.892 -8.091 4.949 220 2HG1 VAL 28 2HG1 VAL 28 -8.684 -8.395 3.384 221 3HG1 VAL 28 3HG1 VAL 28 -9.302 -7.122 4.463 222 1HG2 VAL 28 3HG2 VAL 28 -10.000 -11.268 5.048 223 2HG2 VAL 28 1HG2 VAL 28 -10.456 -10.451 3.535 224 3HG2 VAL 28 2HG2 VAL 28 -8.739 -10.639 3.961 225 H ARG 29 H ARG 29 -10.613 -7.107 7.262 226 HA ARG 29 HA ARG 29 -8.333 -5.510 7.400 227 1HB ARG 29 1HB ARG 29 -11.071 -5.074 7.349 228 2HB ARG 29 2HB ARG 29 -10.700 -4.662 9.011 229 1HG ARG 29 1HG ARG 29 -9.103 -3.542 6.667 230 2HG ARG 29 2HG ARG 29 -10.545 -2.752 7.275 231 1HD ARG 29 1HD ARG 29 -8.457 -3.511 9.306 232 2HD ARG 29 2HD ARG 29 -8.064 -2.189 8.224 233 HE ARG 29 HE ARG 29 -10.156 -2.198 10.299 234 1HH1 ARG 29 2HH2 ARG 29 -8.889 -0.603 7.429 235 2HH1 ARG 29 1HH2 ARG 29 -9.669 0.906 7.769 236 1HH2 ARG 29 2HH1 ARG 29 -11.184 -0.207 10.747 237 2HH2 ARG 29 1HH1 ARG 29 -10.983 1.132 9.668 238 H SER 30 H SER 30 -10.416 -7.124 9.889 239 HA SER 30 HA SER 30 -9.417 -6.120 12.147 240 1HB SER 30 1HB SER 30 -10.443 -7.897 13.183 241 2HB SER 30 2HB SER 30 -11.092 -8.154 11.576 242 HG SER 30 HG SER 30 -10.121 -10.052 11.573 243 H ILE 31 H ILE 31 -7.775 -8.227 9.824 244 HA ILE 31 HA ILE 31 -5.788 -9.278 11.443 245 HB ILE 31 HB ILE 31 -5.627 -8.476 8.536 246 1HG1 ILE 31 1HG1 ILE 31 -7.559 -9.836 8.773 247 2HG1 ILE 31 2HG1 ILE 31 -6.290 -10.859 8.128 248 1HG2 ILE 31 2HG2 ILE 31 -3.858 -10.044 10.346 249 2HG2 ILE 31 3HG2 ILE 31 -4.094 -10.654 8.691 250 3HG2 ILE 31 1HG2 ILE 31 -3.458 -9.012 8.953 251 1HD1 ILE 31 3HD1 ILE 31 -5.810 -11.692 10.453 252 2HD1 ILE 31 1HD1 ILE 31 -7.173 -10.715 11.047 253 3HD1 ILE 31 2HD1 ILE 31 -7.467 -12.056 9.915 254 H GLN 32 H GLN 32 -4.201 -8.354 12.616 255 HA GLN 32 HA GLN 32 -3.457 -5.646 11.824 256 1HB GLN 32 1HB GLN 32 -4.593 -6.074 14.117 257 2HB GLN 32 2HB GLN 32 -3.089 -6.836 14.598 258 1HG GLN 32 1HG GLN 32 -2.012 -4.836 14.820 259 2HG GLN 32 2HG GLN 32 -2.629 -4.233 13.294 260 1HE2 GLN 32 2HE2 GLN 32 -4.717 -3.657 16.829 261 2HE2 GLN 32 1HE2 GLN 32 -3.577 -4.948 16.636 262 H ALA 33 H ALA 33 -1.295 -5.190 11.408 263 HA ALA 33 HA ALA 33 0.758 -6.962 12.334 264 1HB ALA 33 1HB ALA 33 -0.350 -7.141 9.575 265 2HB ALA 33 2HB ALA 33 1.425 -7.096 9.705 266 3HB ALA 33 3HB ALA 33 0.502 -8.363 10.549 267 H ASP 34 H ASP 34 2.375 -5.608 12.917 268 HA ASP 34 HA ASP 34 2.380 -2.973 12.603 269 1HB ASP 34 1HB ASP 34 4.040 -4.624 13.829 270 2HB ASP 34 2HB ASP 34 4.996 -4.495 12.366 271 H GLY 35 H GLY 35 3.978 -5.417 10.433 272 1HA GLY 35 1HA GLY 35 4.722 -3.365 8.511 273 2HA GLY 35 2HA GLY 35 5.095 -5.076 8.454 274 H LEU 36 H LEU 36 1.814 -3.755 9.055 275 HA LEU 36 HA LEU 36 1.070 -4.531 6.331 276 1HB LEU 36 1HB LEU 36 0.630 -6.350 8.042 277 2HB LEU 36 2HB LEU 36 -0.548 -5.274 8.765 278 HG LEU 36 HG LEU 36 -1.611 -5.185 6.396 279 1HD1 LEU 36 2HD1 LEU 36 0.317 -6.284 5.270 280 2HD1 LEU 36 3HD1 LEU 36 -0.090 -7.790 6.127 281 3HD1 LEU 36 1HD1 LEU 36 -1.244 -7.085 4.971 282 1HD2 LEU 36 3HD2 LEU 36 -2.075 -6.715 8.667 283 2HD2 LEU 36 1HD2 LEU 36 -3.190 -6.468 7.301 284 3HD2 LEU 36 2HD2 LEU 36 -2.124 -7.893 7.334 285 H VAL 37 H VAL 37 -0.023 -2.938 5.310 286 HA VAL 37 HA VAL 37 -1.264 -0.904 7.035 287 HB VAL 37 HB VAL 37 0.168 -0.643 4.387 288 1HG1 VAL 37 2HG1 VAL 37 -2.045 0.818 5.097 289 2HG1 VAL 37 3HG1 VAL 37 -0.720 1.826 5.728 290 3HG1 VAL 37 1HG1 VAL 37 -0.753 1.376 4.006 291 1HG2 VAL 37 1HG2 VAL 37 0.940 -0.279 7.176 292 2HG2 VAL 37 2HG2 VAL 37 1.946 -0.333 5.708 293 3HG2 VAL 37 3HG2 VAL 37 1.190 1.198 6.213 294 H TRP 38 H TRP 38 -3.415 -1.396 7.059 295 HA TRP 38 HA TRP 38 -4.651 -2.578 4.756 296 1HB TRP 38 1HB TRP 38 -5.537 -1.789 7.510 297 2HB TRP 38 2HB TRP 38 -6.732 -2.120 6.272 298 HD1 TRP 38 HD TRP 38 -5.315 -3.930 8.980 299 HE1 TRP 38 1HE TRP 38 -5.166 -6.546 8.667 300 HE3 TRP 38 3HE TRP 38 -5.907 -3.886 3.929 301 HZ2 TRP 38 2HZ TRP 38 -5.309 -8.265 6.393 302 HZ3 TRP 38 3HZ TRP 38 -5.890 -6.077 2.740 303 HH2 TRP 38 HH TRP 38 -5.605 -8.214 3.889 304 H GLY 39 H GLY 39 -4.978 -1.292 2.981 305 1HA GLY 39 1HA GLY 39 -5.325 1.560 3.265 306 2HA GLY 39 2HA GLY 39 -5.277 0.624 1.784 307 H SER 40 H SER 40 -7.178 0.223 0.705 308 HA SER 40 HA SER 40 -9.614 0.413 2.276 309 1HB SER 40 1HB SER 40 -8.888 2.538 0.810 310 2HB SER 40 2HB SER 40 -9.582 1.597 -0.495 311 HG SER 40 HG SER 40 -11.138 1.743 1.864 312 H SER 41 H SER 41 -11.100 -1.198 1.767 313 HA SER 41 HA SER 41 -10.246 -3.042 -0.271 314 1HB SER 41 1HB SER 41 -12.082 -4.489 0.698 315 2HB SER 41 2HB SER 41 -10.834 -4.040 1.844 316 HG SER 41 HG SER 41 -13.308 -2.567 1.561 317 H LYS 42 H LYS 42 -11.825 -3.901 -1.891 318 HA LYS 42 HA LYS 42 -13.907 -1.922 -2.502 319 1HB LYS 42 1HB LYS 42 -12.534 -3.435 -4.691 320 2HB LYS 42 2HB LYS 42 -13.328 -1.873 -4.735 321 1HG LYS 42 1HG LYS 42 -11.332 -1.294 -2.966 322 2HG LYS 42 2HG LYS 42 -10.538 -2.565 -3.873 323 1HD LYS 42 1HD LYS 42 -11.967 -0.365 -5.384 324 2HD LYS 42 2HD LYS 42 -10.397 -0.029 -4.683 325 1HE LYS 42 1HE LYS 42 -10.496 -2.608 -6.149 326 2HE LYS 42 2HE LYS 42 -10.832 -1.220 -7.165 327 1HZ LYS 42 3HZ LYS 42 -8.800 -0.215 -6.327 328 2HZ LYS 42 1HZ LYS 42 -8.479 -1.544 -5.435 329 3HZ LYS 42 2HZ LYS 42 -8.498 -1.640 -7.065 330 H LEU 43 H LEU 43 -15.808 -2.790 -3.629 331 HA LEU 43 HA LEU 43 -16.112 -5.671 -3.133 332 1HB LEU 43 1HB LEU 43 -17.698 -3.371 -2.231 333 2HB LEU 43 2HB LEU 43 -18.648 -4.639 -2.981 334 HG LEU 43 HG LEU 43 -18.579 -4.946 -0.583 335 1HD1 LEU 43 2HD1 LEU 43 -17.501 -6.932 -2.454 336 2HD1 LEU 43 3HD1 LEU 43 -17.097 -7.252 -0.750 337 3HD1 LEU 43 1HD1 LEU 43 -18.798 -7.070 -1.243 338 1HD2 LEU 43 3HD2 LEU 43 -15.579 -4.880 -0.934 339 2HD2 LEU 43 1HD2 LEU 43 -16.603 -3.856 0.101 340 3HD2 LEU 43 2HD2 LEU 43 -16.367 -5.573 0.504 341 H VAL 44 H VAL 44 -17.567 -6.800 -4.616 342 HA VAL 44 HA VAL 44 -18.386 -5.358 -6.974 343 HB VAL 44 HB VAL 44 -16.246 -7.492 -7.057 344 1HG1 VAL 44 2HG1 VAL 44 -18.208 -7.476 -8.837 345 2HG1 VAL 44 3HG1 VAL 44 -17.264 -6.133 -9.526 346 3HG1 VAL 44 1HG1 VAL 44 -16.517 -7.736 -9.328 347 1HG2 VAL 44 1HG2 VAL 44 -16.255 -4.573 -7.893 348 2HG2 VAL 44 2HG2 VAL 44 -15.333 -5.307 -6.560 349 3HG2 VAL 44 3HG2 VAL 44 -14.946 -5.727 -8.245 350 HA PRO 45 HA PRO 45 -21.378 -8.459 -6.267 351 1HB PRO 45 1HB PRO 45 -23.260 -7.530 -8.017 352 2HB PRO 45 2HB PRO 45 -23.106 -6.941 -6.373 353 1HG PRO 45 1HG PRO 45 -22.300 -5.628 -8.897 354 2HG PRO 45 2HG PRO 45 -22.549 -4.911 -7.317 355 1HD PRO 45 1HD PRO 45 -20.030 -5.500 -8.556 356 2HD PRO 45 2HD PRO 45 -20.282 -4.891 -6.932 357 H VAL 46 H VAL 46 -21.854 -10.472 -7.023 358 HA VAL 46 HA VAL 46 -21.509 -10.861 -9.871 359 HB VAL 46 HB VAL 46 -19.795 -12.250 -7.802 360 1HG1 VAL 46 2HG1 VAL 46 -20.808 -13.393 -10.091 361 2HG1 VAL 46 3HG1 VAL 46 -19.241 -12.758 -10.647 362 3HG1 VAL 46 1HG1 VAL 46 -19.307 -13.883 -9.270 363 1HG2 VAL 46 3HG2 VAL 46 -19.204 -10.223 -9.964 364 2HG2 VAL 46 1HG2 VAL 46 -18.795 -10.163 -8.233 365 3HG2 VAL 46 2HG2 VAL 46 -17.944 -11.297 -9.310 366 H GLY 47 H GLY 47 -23.929 -10.903 -8.903 367 1HA GLY 47 1HA GLY 47 -25.481 -12.727 -9.360 368 2HA GLY 47 2HA GLY 47 -24.502 -13.748 -8.326 369 H TYR 48 H TYR 48 -27.245 -11.750 -8.456 370 HA TYR 48 HA TYR 48 -27.466 -10.314 -6.235 371 1HB TYR 48 1HB TYR 48 -29.250 -10.919 -7.946 372 2HB TYR 48 2HB TYR 48 -29.349 -12.529 -7.263 373 HD1 TYR 48 1HD TYR 48 -29.991 -8.937 -6.546 374 HD2 TYR 48 2HD TYR 48 -30.721 -12.985 -5.370 375 HE1 TYR 48 1HE TYR 48 -31.794 -8.151 -4.936 376 HE2 TYR 48 2HE TYR 48 -32.523 -12.185 -3.764 377 HH TYR 48 HH TYR 48 -32.778 -9.168 -2.702 378 H GLY 49 H GLY 49 -26.563 -10.710 -4.257 379 1HA GLY 49 1HA GLY 49 -27.189 -11.777 -2.150 380 2HA GLY 49 2HA GLY 49 -27.226 -13.308 -3.003 381 H ILE 50 H ILE 50 -24.890 -12.998 -4.664 382 HA ILE 50 HA ILE 50 -22.870 -13.324 -2.590 383 HB ILE 50 HB ILE 50 -23.174 -14.244 -5.426 384 1HG1 ILE 50 1HG1 ILE 50 -22.185 -16.063 -3.337 385 2HG1 ILE 50 2HG1 ILE 50 -23.768 -15.395 -2.993 386 1HG2 ILE 50 2HG2 ILE 50 -20.907 -13.283 -5.233 387 2HG2 ILE 50 3HG2 ILE 50 -20.591 -14.352 -3.845 388 3HG2 ILE 50 1HG2 ILE 50 -20.894 -15.050 -5.454 389 1HD1 ILE 50 1HD1 ILE 50 -23.326 -16.328 -5.804 390 2HD1 ILE 50 2HD1 ILE 50 -23.403 -17.588 -4.550 391 3HD1 ILE 50 3HD1 ILE 50 -24.770 -16.469 -4.773 392 H LYS 51 H LYS 51 -20.639 -12.447 -3.048 393 HA LYS 51 HA LYS 51 -20.520 -10.207 -4.839 394 1HB LYS 51 1HB LYS 51 -20.923 -9.835 -1.906 395 2HB LYS 51 2HB LYS 51 -19.744 -8.804 -2.690 396 1HG LYS 51 1HG LYS 51 -21.417 -7.520 -3.516 397 2HG LYS 51 2HG LYS 51 -22.016 -8.890 -4.430 398 1HD LYS 51 1HD LYS 51 -23.750 -9.247 -2.985 399 2HD LYS 51 2HD LYS 51 -22.727 -9.074 -1.572 400 1HE LYS 51 1HE LYS 51 -23.660 -7.038 -1.212 401 2HE LYS 51 2HE LYS 51 -22.876 -6.463 -2.670 402 1HZ LYS 51 3HZ LYS 51 -25.015 -7.826 -3.584 403 2HZ LYS 51 1HZ LYS 51 -25.603 -7.104 -2.243 404 3HZ LYS 51 2HZ LYS 51 -24.923 -6.203 -3.423 405 H LYS 52 H LYS 52 -18.266 -9.228 -4.798 406 HA LYS 52 HA LYS 52 -16.400 -11.412 -4.475 407 1HB LYS 52 1HB LYS 52 -16.718 -9.274 -6.291 408 2HB LYS 52 2HB LYS 52 -15.237 -8.937 -5.418 409 1HG LYS 52 1HG LYS 52 -14.491 -11.324 -5.875 410 2HG LYS 52 2HG LYS 52 -15.923 -11.539 -6.863 411 1HD LYS 52 1HD LYS 52 -14.674 -9.100 -7.727 412 2HD LYS 52 2HD LYS 52 -13.402 -10.295 -7.578 413 1HE LYS 52 1HE LYS 52 -14.611 -11.857 -9.042 414 2HE LYS 52 2HE LYS 52 -16.013 -10.806 -9.078 415 1HZ LYS 52 3HZ LYS 52 -14.033 -9.186 -9.870 416 2HZ LYS 52 1HZ LYS 52 -13.580 -10.605 -10.538 417 3HZ LYS 52 2HZ LYS 52 -15.049 -9.977 -10.874 418 H LEU 53 H LEU 53 -14.466 -11.301 -3.207 419 HA LEU 53 HA LEU 53 -14.668 -9.311 -1.056 420 1HB LEU 53 1HB LEU 53 -14.631 -12.150 -0.977 421 2HB LEU 53 2HB LEU 53 -13.110 -11.589 -0.310 422 HG LEU 53 HG LEU 53 -15.119 -11.969 1.270 423 1HD1 LEU 53 3HD1 LEU 53 -12.842 -10.549 1.517 424 2HD1 LEU 53 1HD1 LEU 53 -14.037 -9.258 1.790 425 3HD1 LEU 53 2HD1 LEU 53 -14.051 -10.715 2.814 426 1HD2 LEU 53 1HD2 LEU 53 -16.417 -10.263 -0.420 427 2HD2 LEU 53 2HD2 LEU 53 -16.901 -10.609 1.258 428 3HD2 LEU 53 3HD2 LEU 53 -15.929 -9.164 0.892 429 H GLN 54 H GLN 54 -13.464 -7.864 -2.561 430 HA GLN 54 HA GLN 54 -10.681 -8.685 -2.796 431 1HB GLN 54 1HB GLN 54 -11.541 -8.078 -4.938 432 2HB GLN 54 2HB GLN 54 -12.385 -6.678 -4.307 433 1HG GLN 54 1HG GLN 54 -10.519 -5.348 -4.400 434 2HG GLN 54 2HG GLN 54 -9.467 -6.609 -3.788 435 1HE2 GLN 54 2HE2 GLN 54 -9.769 -5.785 -7.755 436 2HE2 GLN 54 1HE2 GLN 54 -10.601 -4.919 -6.506 437 H ILE 55 H ILE 55 -8.996 -7.391 -1.933 438 HA ILE 55 HA ILE 55 -9.766 -4.943 -0.574 439 HB ILE 55 HB ILE 55 -9.437 -5.605 1.528 440 1HG1 ILE 55 1HG1 ILE 55 -7.015 -6.015 1.101 441 2HG1 ILE 55 2HG1 ILE 55 -7.711 -7.046 2.335 442 1HG2 ILE 55 3HG2 ILE 55 -9.933 -8.284 0.204 443 2HG2 ILE 55 1HG2 ILE 55 -10.066 -7.978 1.953 444 3HG2 ILE 55 2HG2 ILE 55 -11.146 -7.134 0.818 445 1HD1 ILE 55 2HD1 ILE 55 -7.975 -8.260 -0.323 446 2HD1 ILE 55 3HD1 ILE 55 -6.279 -7.894 0.072 447 3HD1 ILE 55 1HD1 ILE 55 -7.242 -8.927 1.155 448 H GLN 56 H GLN 56 -7.817 -3.672 0.094 449 HA GLN 56 HA GLN 56 -5.449 -4.532 -1.351 450 1HB GLN 56 1HB GLN 56 -6.685 -2.955 -2.816 451 2HB GLN 56 2HB GLN 56 -6.706 -1.758 -1.536 452 1HG GLN 56 1HG GLN 56 -4.797 -1.004 -2.568 453 2HG GLN 56 2HG GLN 56 -4.027 -2.254 -1.612 454 1HE2 GLN 56 2HE2 GLN 56 -4.767 -2.827 -5.655 455 2HE2 GLN 56 1HE2 GLN 56 -5.720 -1.745 -4.695 456 H CYS 57 H CYS 57 -3.465 -3.901 -0.384 457 HA CYS 57 HA CYS 57 -3.612 -2.129 1.896 458 1HB CYS 57 1HB CYS 57 -2.348 -3.795 3.323 459 2HB CYS 57 2HB CYS 57 -4.046 -4.143 3.066 460 HG CYS 57 HG CYS 57 -2.337 -5.232 0.631 461 H VAL 58 H VAL 58 -1.089 -2.182 2.830 462 HA VAL 58 HA VAL 58 0.662 -2.257 0.480 463 HB VAL 58 HB VAL 58 0.431 -0.031 2.515 464 1HG1 VAL 58 1HG1 VAL 58 2.687 -0.879 1.019 465 2HG1 VAL 58 2HG1 VAL 58 2.087 0.611 0.250 466 3HG1 VAL 58 3HG1 VAL 58 2.500 0.608 1.981 467 1HG2 VAL 58 2HG2 VAL 58 -0.660 -0.442 -0.205 468 2HG2 VAL 58 3HG2 VAL 58 -1.221 0.614 1.115 469 3HG2 VAL 58 1HG2 VAL 58 0.124 1.132 0.070 470 H VAL 59 H VAL 59 1.965 -3.968 0.969 471 HA VAL 59 HA VAL 59 2.707 -4.427 3.721 472 HB VAL 59 HB VAL 59 3.599 -6.468 2.944 473 1HG1 VAL 59 3HG1 VAL 59 0.981 -5.606 1.831 474 2HG1 VAL 59 1HG1 VAL 59 1.654 -7.122 1.187 475 3HG1 VAL 59 2HG1 VAL 59 1.379 -6.944 2.936 476 1HG2 VAL 59 3HG2 VAL 59 3.416 -5.354 0.125 477 2HG2 VAL 59 1HG2 VAL 59 4.906 -5.652 1.053 478 3HG2 VAL 59 2HG2 VAL 59 3.881 -7.018 0.551 479 H GLU 60 H GLU 60 5.196 -5.065 3.995 480 HA GLU 60 HA GLU 60 6.588 -2.672 3.183 481 1HB GLU 60 1HB GLU 60 6.784 -4.626 5.408 482 2HB GLU 60 2HB GLU 60 8.337 -4.085 4.803 483 1HG GLU 60 1HG GLU 60 6.575 -1.790 4.998 484 2HG GLU 60 2HG GLU 60 6.516 -2.667 6.514 485 H ASP 61 H ASP 61 6.692 -3.430 0.877 486 HA ASP 61 HA ASP 61 7.761 -4.249 -0.821 487 1HB ASP 61 1HB ASP 61 9.804 -3.319 -0.019 488 2HB ASP 61 2HB ASP 61 9.916 -4.467 1.301 489 H ASP 62 H ASP 62 9.550 -6.382 1.476 490 HA ASP 62 HA ASP 62 7.854 -8.589 0.645 491 1HB ASP 62 1HB ASP 62 10.273 -8.278 -0.500 492 2HB ASP 62 2HB ASP 62 10.821 -9.028 0.986 493 H LYS 63 H LYS 63 8.176 -6.835 3.119 494 HA LYS 63 HA LYS 63 9.483 -8.560 5.028 495 1HB LYS 63 1HB LYS 63 9.160 -5.855 4.859 496 2HB LYS 63 2HB LYS 63 7.873 -6.264 5.974 497 1HG LYS 63 1HG LYS 63 9.675 -7.707 7.215 498 2HG LYS 63 2HG LYS 63 10.849 -6.813 6.270 499 1HD LYS 63 1HD LYS 63 10.553 -4.890 7.482 500 2HD LYS 63 2HD LYS 63 8.810 -5.071 7.532 501 1HE LYS 63 1HE LYS 63 8.849 -6.345 9.493 502 2HE LYS 63 2HE LYS 63 10.434 -7.014 9.161 503 1HZ LYS 63 2HZ LYS 63 11.121 -4.537 9.453 504 2HZ LYS 63 3HZ LYS 63 9.750 -4.458 10.337 505 3HZ LYS 63 1HZ LYS 63 10.929 -5.509 10.751 506 H VAL 64 H VAL 64 6.132 -7.306 4.407 507 HA VAL 64 HA VAL 64 5.156 -9.543 6.034 508 HB VAL 64 HB VAL 64 4.211 -6.771 5.469 509 1HG1 VAL 64 1HG1 VAL 64 2.464 -9.162 5.569 510 2HG1 VAL 64 2HG1 VAL 64 1.984 -7.812 6.625 511 3HG1 VAL 64 3HG1 VAL 64 2.171 -7.549 4.875 512 1HG2 VAL 64 1HG2 VAL 64 4.276 -8.550 7.928 513 2HG2 VAL 64 2HG2 VAL 64 5.358 -7.187 7.556 514 3HG2 VAL 64 3HG2 VAL 64 3.636 -6.889 7.895 515 H GLY 65 H GLY 65 5.040 -11.265 4.616 516 1HA GLY 65 1HA GLY 65 4.075 -10.878 1.918 517 2HA GLY 65 2HA GLY 65 4.585 -12.375 2.674 518 H THR 66 H THR 66 2.283 -12.323 1.076 519 HA THR 66 HA THR 66 -0.043 -11.942 2.708 520 HB THR 66 HB THR 66 0.630 -12.876 -0.093 521 HG1 THR 66 1HG THR 66 -1.165 -11.003 1.282 522 1HG2 THR 66 1HG2 THR 66 -1.839 -13.555 1.492 523 2HG2 THR 66 2HG2 THR 66 -2.091 -12.887 -0.138 524 3HG2 THR 66 3HG2 THR 66 -1.146 -14.381 0.075 525 H ASP 67 H ASP 67 2.310 -14.470 2.281 526 HA ASP 67 HA ASP 67 0.923 -16.728 2.558 527 1HB ASP 67 1HB ASP 67 2.867 -17.618 3.837 528 2HB ASP 67 2HB ASP 67 3.375 -16.655 2.464 529 H MET 68 H MET 68 1.999 -14.493 5.227 530 HA MET 68 HA MET 68 0.815 -15.967 7.267 531 1HB MET 68 1HB MET 68 2.488 -13.750 7.041 532 2HB MET 68 2HB MET 68 1.008 -12.998 7.605 533 1HG MET 68 1HG MET 68 1.215 -15.263 9.246 534 2HG MET 68 2HG MET 68 2.885 -14.765 9.058 535 1HE MET 68 1HE MET 68 -0.581 -13.721 9.401 536 2HE MET 68 2HE MET 68 -0.612 -13.081 11.061 537 3HE MET 68 3HE MET 68 -0.462 -11.967 9.680 538 H LEU 69 H LEU 69 -0.340 -13.210 5.251 539 HA LEU 69 HA LEU 69 -2.690 -12.741 6.691 540 1HB LEU 69 1HB LEU 69 -2.364 -12.293 3.736 541 2HB LEU 69 2HB LEU 69 -3.336 -11.390 4.881 542 HG LEU 69 HG LEU 69 -0.323 -11.376 4.609 543 1HD1 LEU 69 2HD1 LEU 69 -2.061 -9.976 3.153 544 2HD1 LEU 69 3HD1 LEU 69 -1.991 -8.907 4.575 545 3HD1 LEU 69 1HD1 LEU 69 -0.501 -9.305 3.686 546 1HD2 LEU 69 1HD2 LEU 69 -1.857 -10.984 6.989 547 2HD2 LEU 69 2HD2 LEU 69 -0.101 -10.818 6.741 548 3HD2 LEU 69 3HD2 LEU 69 -1.173 -9.419 6.485 549 H GLU 70 H GLU 70 -1.861 -15.004 4.027 550 HA GLU 70 HA GLU 70 -4.547 -15.831 3.723 551 1HB GLU 70 1HB GLU 70 -2.906 -15.962 1.875 552 2HB GLU 70 2HB GLU 70 -1.934 -17.099 2.788 553 1HG GLU 70 1HG GLU 70 -4.024 -18.618 2.872 554 2HG GLU 70 2HG GLU 70 -4.749 -17.536 1.700 555 H GLU 71 H GLU 71 -1.868 -16.654 5.843 556 HA GLU 71 HA GLU 71 -2.795 -19.249 6.455 557 1HB GLU 71 1HB GLU 71 -0.571 -17.500 7.203 558 2HB GLU 71 2HB GLU 71 -1.208 -18.331 8.608 559 1HG GLU 71 1HG GLU 71 -0.871 -20.016 6.157 560 2HG GLU 71 2HG GLU 71 0.615 -19.435 6.883 561 H GLN 72 H GLN 72 -3.821 -16.061 7.281 562 HA GLN 72 HA GLN 72 -5.222 -17.145 9.599 563 1HB GLN 72 1HB GLN 72 -5.291 -14.844 10.497 564 2HB GLN 72 2HB GLN 72 -3.638 -15.357 10.219 565 1HG GLN 72 1HG GLN 72 -3.892 -14.215 7.872 566 2HG GLN 72 2HG GLN 72 -5.312 -13.444 8.549 567 1HE2 GLN 72 2HE2 GLN 72 -3.195 -12.007 11.306 568 2HE2 GLN 72 1HE2 GLN 72 -4.450 -13.198 11.215 569 H ILE 73 H ILE 73 -5.408 -14.876 6.784 570 HA ILE 73 HA ILE 73 -8.097 -14.256 7.020 571 HB ILE 73 HB ILE 73 -6.258 -14.405 4.636 572 1HG1 ILE 73 1HG1 ILE 73 -7.265 -11.985 6.150 573 2HG1 ILE 73 2HG1 ILE 73 -5.762 -12.799 6.538 574 1HG2 ILE 73 3HG2 ILE 73 -9.071 -14.281 4.576 575 2HG2 ILE 73 1HG2 ILE 73 -8.492 -12.628 4.261 576 3HG2 ILE 73 2HG2 ILE 73 -7.930 -13.976 3.244 577 1HD1 ILE 73 3HD1 ILE 73 -5.009 -12.465 4.149 578 2HD1 ILE 73 1HD1 ILE 73 -6.490 -11.518 3.865 579 3HD1 ILE 73 2HD1 ILE 73 -5.275 -10.943 5.031 580 H THR 74 H THR 74 -6.943 -16.320 4.300 581 HA THR 74 HA THR 74 -9.367 -17.621 3.987 582 HB THR 74 HB THR 74 -8.075 -19.061 2.485 583 HG1 THR 74 1HG THR 74 -6.189 -19.691 3.466 584 1HG2 THR 74 2HG2 THR 74 -8.034 -16.397 2.122 585 2HG2 THR 74 3HG2 THR 74 -6.310 -16.603 2.509 586 3HG2 THR 74 1HG2 THR 74 -7.019 -17.462 1.121 587 H ALA 75 H ALA 75 -6.994 -17.996 6.485 588 HA ALA 75 HA ALA 75 -7.002 -20.586 7.156 589 1HB ALA 75 1HB ALA 75 -6.103 -18.434 8.354 590 2HB ALA 75 2HB ALA 75 -7.631 -18.517 9.263 591 3HB ALA 75 3HB ALA 75 -6.484 -19.876 9.325 592 H PHE 76 H PHE 76 -9.780 -18.385 7.152 593 HA PHE 76 HA PHE 76 -11.401 -20.258 8.636 594 1HB PHE 76 1HB PHE 76 -11.443 -17.454 7.615 595 2HB PHE 76 2HB PHE 76 -12.995 -18.245 7.432 596 HD1 PHE 76 1HD PHE 76 -10.351 -18.063 10.076 597 HD2 PHE 76 2HD PHE 76 -14.480 -17.826 9.129 598 HE1 PHE 76 1HE PHE 76 -10.876 -17.592 12.485 599 HE2 PHE 76 2HE PHE 76 -15.006 -17.353 11.538 600 HZ PHE 76 HZ PHE 76 -13.198 -17.242 13.187 601 H GLU 77 H GLU 77 -11.162 -22.092 7.114 602 HA GLU 77 HA GLU 77 -12.050 -21.797 4.466 603 1HB GLU 77 1HB GLU 77 -10.730 -23.763 5.981 604 2HB GLU 77 2HB GLU 77 -12.251 -24.521 5.554 605 1HG GLU 77 1HG GLU 77 -11.874 -24.048 3.163 606 2HG GLU 77 2HG GLU 77 -10.427 -23.133 3.536 607 H ASP 78 H ASP 78 -13.736 -21.604 7.355 608 HA ASP 78 HA ASP 78 -16.028 -23.074 6.449 609 1HB ASP 78 1HB ASP 78 -16.953 -21.826 8.644 610 2HB ASP 78 2HB ASP 78 -15.958 -23.265 8.752 611 H TYR 79 H TYR 79 -14.758 -20.406 5.272 612 HA TYR 79 HA TYR 79 -17.302 -19.153 4.754 613 1HB TYR 79 1HB TYR 79 -14.962 -17.967 6.339 614 2HB TYR 79 2HB TYR 79 -16.001 -16.901 5.416 615 HD1 TYR 79 2HD TYR 79 -15.950 -19.337 8.220 616 HD2 TYR 79 1HD TYR 79 -18.154 -16.261 6.225 617 HE1 TYR 79 2HE TYR 79 -17.594 -19.249 10.156 618 HE2 TYR 79 1HE TYR 79 -19.792 -16.183 8.168 619 HH TYR 79 HH TYR 79 -20.471 -17.208 9.987 620 H VAL 80 H VAL 80 -13.707 -19.125 4.433 621 HA VAL 80 HA VAL 80 -13.899 -17.718 1.922 622 HB VAL 80 HB VAL 80 -11.670 -18.794 3.632 623 1HG1 VAL 80 2HG1 VAL 80 -11.040 -19.241 1.302 624 2HG1 VAL 80 3HG1 VAL 80 -11.383 -17.546 0.877 625 3HG1 VAL 80 1HG1 VAL 80 -10.054 -17.932 1.996 626 1HG2 VAL 80 2HG2 VAL 80 -13.052 -16.403 3.662 627 2HG2 VAL 80 3HG2 VAL 80 -11.434 -16.680 4.352 628 3HG2 VAL 80 1HG2 VAL 80 -11.600 -16.006 2.713 629 H GLN 81 H GLN 81 -13.969 -18.633 -0.083 630 HA GLN 81 HA GLN 81 -14.117 -21.498 -0.140 631 1HB GLN 81 1HB GLN 81 -15.784 -20.066 -1.339 632 2HB GLN 81 2HB GLN 81 -14.507 -19.450 -2.368 633 1HG GLN 81 1HG GLN 81 -14.038 -22.019 -2.860 634 2HG GLN 81 2HG GLN 81 -15.672 -22.245 -2.268 635 1HE2 GLN 81 2HE2 GLN 81 -17.335 -20.828 -5.004 636 2HE2 GLN 81 1HE2 GLN 81 -17.420 -21.373 -3.362 637 H SER 82 H SER 82 -12.008 -18.835 -1.269 638 HA SER 82 HA SER 82 -9.728 -20.231 -1.254 639 1HB SER 82 1HB SER 82 -11.283 -20.774 -3.749 640 2HB SER 82 2HB SER 82 -9.584 -20.412 -3.977 641 HG SER 82 HG SER 82 -9.065 -22.341 -3.207 642 H MET 83 H MET 83 -8.282 -18.550 -1.166 643 HA MET 83 HA MET 83 -9.071 -16.044 -2.268 644 1HB MET 83 1HB MET 83 -7.952 -16.162 -0.064 645 2HB MET 83 2HB MET 83 -6.589 -17.021 -0.756 646 1HG MET 83 1HG MET 83 -6.016 -15.029 -2.144 647 2HG MET 83 2HG MET 83 -7.406 -14.170 -1.508 648 1HE MET 83 1HE MET 83 -3.999 -15.317 -1.267 649 2HE MET 83 2HE MET 83 -3.338 -14.750 0.285 650 3HE MET 83 3HE MET 83 -4.235 -16.285 0.207 651 H ASP 84 H ASP 84 -7.769 -14.753 -3.775 652 HA ASP 84 HA ASP 84 -5.862 -16.322 -5.293 653 1HB ASP 84 1HB ASP 84 -7.209 -14.739 -7.207 654 2HB ASP 84 2HB ASP 84 -7.280 -16.483 -7.054 655 H VAL 85 H VAL 85 -4.332 -14.904 -6.508 656 HA VAL 85 HA VAL 85 -4.095 -12.304 -5.242 657 HB VAL 85 HB VAL 85 -2.247 -14.050 -5.477 658 1HG1 VAL 85 3HG1 VAL 85 -2.698 -14.545 -7.883 659 2HG1 VAL 85 1HG1 VAL 85 -2.091 -12.922 -8.291 660 3HG1 VAL 85 2HG1 VAL 85 -1.003 -14.118 -7.546 661 1HG2 VAL 85 1HG2 VAL 85 -1.810 -11.190 -6.397 662 2HG2 VAL 85 2HG2 VAL 85 -1.778 -11.801 -4.726 663 3HG2 VAL 85 3HG2 VAL 85 -0.517 -12.298 -5.878 664 H ALA 86 H ALA 86 -4.737 -10.439 -6.193 665 HA ALA 86 HA ALA 86 -5.739 -10.596 -8.900 666 1HB ALA 86 1HB ALA 86 -5.840 -8.594 -6.636 667 2HB ALA 86 2HB ALA 86 -6.315 -8.127 -8.285 668 3HB ALA 86 3HB ALA 86 -7.179 -9.438 -7.448 669 H ALA 87 H ALA 87 -2.866 -9.597 -7.155 670 HA ALA 87 HA ALA 87 -1.444 -9.143 -9.522 671 1HB ALA 87 2HB ALA 87 -3.007 -6.917 -8.685 672 2HB ALA 87 3HB ALA 87 -1.315 -6.539 -8.282 673 3HB ALA 87 1HB ALA 87 -1.759 -6.962 -9.952 674 H PHE 88 H PHE 88 0.841 -8.423 -9.007 675 HA PHE 88 HA PHE 88 1.510 -8.534 -6.195 676 1HB PHE 88 1HB PHE 88 1.608 -10.789 -8.033 677 2HB PHE 88 2HB PHE 88 3.263 -10.312 -7.710 678 HD1 PHE 88 1HD PHE 88 2.849 -9.364 -4.849 679 HD2 PHE 88 2HD PHE 88 1.562 -12.854 -6.894 680 HE1 PHE 88 1HE PHE 88 2.784 -10.616 -2.673 681 HE2 PHE 88 2HE PHE 88 1.498 -14.104 -4.718 682 HZ PHE 88 HZ PHE 88 2.110 -12.971 -2.634 683 H ASN 89 H ASN 89 2.242 -6.354 -6.533 684 HA ASN 89 HA ASN 89 4.874 -6.308 -7.651 685 1HB ASN 89 1HB ASN 89 2.593 -5.257 -9.123 686 2HB ASN 89 2HB ASN 89 3.610 -3.913 -8.642 687 1HD2 ASN 89 2HD2 ASN 89 4.962 -4.837 -11.862 688 2HD2 ASN 89 1HD2 ASN 89 3.614 -4.029 -11.135 689 H LYS 90 H LYS 90 5.541 -3.670 -7.452 690 HA LYS 90 HA LYS 90 5.218 -3.139 -4.667 691 1HB LYS 90 1HB LYS 90 6.825 -2.057 -6.931 692 2HB LYS 90 2HB LYS 90 6.524 -0.973 -5.587 693 1HG LYS 90 1HG LYS 90 7.779 -2.229 -4.099 694 2HG LYS 90 2HG LYS 90 7.334 -3.754 -4.837 695 1HD LYS 90 1HD LYS 90 9.031 -1.906 -6.489 696 2HD LYS 90 2HD LYS 90 9.805 -2.653 -5.106 697 1HE LYS 90 1HE LYS 90 10.090 -4.528 -6.351 698 2HE LYS 90 2HE LYS 90 8.353 -4.758 -6.323 699 1HZ LYS 90 3HZ LYS 90 8.645 -2.903 -8.215 700 2HZ LYS 90 1HZ LYS 90 10.008 -3.777 -8.430 701 3HZ LYS 90 2HZ LYS 90 8.549 -4.507 -8.506 702 H ILE 91 H ILE 91 4.683 -0.863 -3.958 703 HA ILE 91 HA ILE 91 2.140 -0.068 -5.280 704 HB ILE 91 HB ILE 91 1.864 -0.763 -2.974 705 1HG1 ILE 91 1HG1 ILE 91 1.792 2.072 -2.322 706 2HG1 ILE 91 2HG1 ILE 91 1.216 1.796 -3.983 707 1HG2 ILE 91 1HG2 ILE 91 4.429 -0.066 -2.579 708 2HG2 ILE 91 2HG2 ILE 91 3.661 1.414 -1.960 709 3HG2 ILE 91 3HG2 ILE 91 3.264 -0.163 -1.236 710 1HD1 ILE 91 2HD1 ILE 91 0.250 -0.104 -1.883 711 2HD1 ILE 91 3HD1 ILE 91 -0.396 1.554 -1.828 712 3HD1 ILE 91 1HD1 ILE 91 -0.605 0.566 -3.294 No H/Q in entry = 712 Start of MODEL 15 1 1H MET 1 3HN MET 1 12.771 -1.910 10.184 2 2H MET 1 H MET 1 13.050 -1.207 11.657 3 3H MET 1 2HN MET 1 11.741 -0.745 10.754 4 HA MET 1 HA MET 1 12.978 0.925 10.127 5 1HB MET 1 1HB MET 1 15.112 -0.848 11.252 6 2HB MET 1 2HB MET 1 15.613 0.421 10.109 7 1HG MET 1 1HG MET 1 13.942 1.876 11.618 8 2HG MET 1 2HG MET 1 14.383 0.660 12.828 9 1HE MET 1 1HE MET 1 15.071 2.047 14.363 10 2HE MET 1 2HE MET 1 16.705 1.357 14.512 11 3HE MET 1 3HE MET 1 16.490 3.121 14.403 12 H LEU 2 H LEU 2 11.862 -1.208 8.420 13 HA LEU 2 HA LEU 2 13.907 -1.525 6.382 14 1HB LEU 2 1HB LEU 2 11.443 -2.879 7.167 15 2HB LEU 2 2HB LEU 2 11.544 -2.612 5.438 16 HG LEU 2 HG LEU 2 14.055 -3.643 6.494 17 1HD1 LEU 2 3HD1 LEU 2 12.483 -4.636 8.165 18 2HD1 LEU 2 1HD1 LEU 2 11.656 -5.460 6.821 19 3HD1 LEU 2 2HD1 LEU 2 13.361 -5.828 7.176 20 1HD2 LEU 2 1HD2 LEU 2 13.434 -3.589 4.117 21 2HD2 LEU 2 2HD2 LEU 2 13.802 -5.239 4.676 22 3HD2 LEU 2 3HD2 LEU 2 12.111 -4.736 4.441 23 H VAL 3 H VAL 3 13.028 -1.173 4.015 24 HA VAL 3 HA VAL 3 11.289 1.155 3.894 25 HB VAL 3 HB VAL 3 14.067 1.122 2.702 26 1HG1 VAL 3 2HG1 VAL 3 11.791 3.106 2.649 27 2HG1 VAL 3 3HG1 VAL 3 13.479 3.620 2.413 28 3HG1 VAL 3 1HG1 VAL 3 12.740 2.448 1.294 29 1HG2 VAL 3 2HG2 VAL 3 12.985 2.496 5.177 30 2HG2 VAL 3 3HG2 VAL 3 14.355 1.365 5.055 31 3HG2 VAL 3 1HG2 VAL 3 14.484 2.997 4.355 32 H ALA 4 H ALA 4 10.524 1.565 1.658 33 HA ALA 4 HA ALA 4 10.002 0.961 -0.437 34 1HB ALA 4 3HB ALA 4 12.398 -0.286 -0.216 35 2HB ALA 4 1HB ALA 4 11.335 -1.706 -0.362 36 3HB ALA 4 2HB ALA 4 11.337 -0.460 -1.634 37 H LYS 5 H LYS 5 7.831 0.835 0.277 38 HA LYS 5 HA LYS 5 6.966 -1.800 1.201 39 1HB LYS 5 1HB LYS 5 5.753 0.962 1.386 40 2HB LYS 5 2HB LYS 5 4.819 -0.486 1.706 41 1HG LYS 5 1HG LYS 5 7.441 -0.493 3.080 42 2HG LYS 5 2HG LYS 5 6.431 0.859 3.554 43 1HD LYS 5 1HD LYS 5 5.474 -2.042 3.530 44 2HD LYS 5 2HD LYS 5 6.106 -1.238 4.954 45 1HE LYS 5 1HE LYS 5 3.737 -0.164 3.353 46 2HE LYS 5 2HE LYS 5 3.553 -1.236 4.728 47 1HZ LYS 5 1HZ LYS 5 5.272 0.879 5.382 48 2HZ LYS 5 2HZ LYS 5 3.875 1.479 4.787 49 3HZ LYS 5 3HZ LYS 5 3.849 0.467 6.068 50 H SER 6 H SER 6 4.599 -2.326 0.351 51 HA SER 6 HA SER 6 4.197 -1.450 -2.336 52 1HB SER 6 1HB SER 6 5.520 -4.015 -1.735 53 2HB SER 6 2HB SER 6 4.072 -4.227 -2.699 54 HG SER 6 HG SER 6 6.397 -3.611 -3.665 55 H SER 7 H SER 7 2.182 -2.784 -3.273 56 HA SER 7 HA SER 7 0.441 -3.404 -1.020 57 1HB SER 7 1HB SER 7 -0.411 -1.313 -1.640 58 2HB SER 7 2HB SER 7 0.005 -1.520 -3.330 59 HG SER 7 HG SER 7 -2.116 -2.907 -1.922 60 H ILE 8 H ILE 8 -1.128 -5.085 -1.413 61 HA ILE 8 HA ILE 8 -0.893 -6.401 -4.019 62 HB ILE 8 HB ILE 8 -0.629 -7.718 -1.315 63 1HG1 ILE 8 1HG1 ILE 8 1.530 -8.548 -2.516 64 2HG1 ILE 8 2HG1 ILE 8 1.282 -7.176 -3.578 65 1HG2 ILE 8 3HG2 ILE 8 -1.829 -8.762 -3.639 66 2HG2 ILE 8 1HG2 ILE 8 -0.206 -9.488 -3.547 67 3HG2 ILE 8 2HG2 ILE 8 -1.328 -9.639 -2.173 68 1HD1 ILE 8 3HD1 ILE 8 0.903 -6.301 -0.843 69 2HD1 ILE 8 1HD1 ILE 8 2.449 -7.175 -0.972 70 3HD1 ILE 8 2HD1 ILE 8 2.129 -5.773 -2.021 71 H LEU 9 H LEU 9 -2.857 -6.709 -4.921 72 HA LEU 9 HA LEU 9 -5.169 -6.318 -3.200 73 1HB LEU 9 1HB LEU 9 -4.815 -5.026 -5.318 74 2HB LEU 9 2HB LEU 9 -5.025 -6.520 -6.209 75 HG LEU 9 HG LEU 9 -7.313 -6.699 -5.036 76 1HD1 LEU 9 3HD1 LEU 9 -6.803 -4.954 -3.327 77 2HD1 LEU 9 1HD1 LEU 9 -6.871 -3.733 -4.620 78 3HD1 LEU 9 2HD1 LEU 9 -8.321 -4.684 -4.217 79 1HD2 LEU 9 2HD2 LEU 9 -6.474 -4.990 -7.300 80 2HD2 LEU 9 3HD2 LEU 9 -7.654 -6.321 -7.230 81 3HD2 LEU 9 1HD2 LEU 9 -8.113 -4.696 -6.671 82 H LEU 10 H LEU 10 -5.652 -8.180 -2.103 83 HA LEU 10 HA LEU 10 -5.402 -10.709 -3.471 84 1HB LEU 10 1HB LEU 10 -5.996 -9.822 -0.671 85 2HB LEU 10 2HB LEU 10 -6.385 -11.456 -1.168 86 HG LEU 10 HG LEU 10 -3.920 -11.597 -1.950 87 1HD1 LEU 10 2HD1 LEU 10 -3.811 -9.147 -0.179 88 2HD1 LEU 10 3HD1 LEU 10 -2.394 -10.151 -0.572 89 3HD1 LEU 10 1HD1 LEU 10 -3.274 -9.306 -1.868 90 1HD2 LEU 10 3HD2 LEU 10 -5.232 -12.297 0.385 91 2HD2 LEU 10 1HD2 LEU 10 -3.625 -12.855 -0.136 92 3HD2 LEU 10 2HD2 LEU 10 -3.769 -11.461 0.959 93 H ASP 11 H ASP 11 -7.161 -12.169 -3.869 94 HA ASP 11 HA ASP 11 -9.755 -10.851 -3.803 95 1HB ASP 11 1HB ASP 11 -9.080 -10.751 -6.111 96 2HB ASP 11 2HB ASP 11 -8.423 -12.375 -6.071 97 H VAL 12 H VAL 12 -10.736 -12.100 -2.166 98 HA VAL 12 HA VAL 12 -10.327 -14.996 -2.277 99 HB VAL 12 HB VAL 12 -11.482 -13.261 -0.085 100 1HG1 VAL 12 1HG1 VAL 12 -11.215 -16.164 -0.467 101 2HG1 VAL 12 2HG1 VAL 12 -10.532 -15.577 1.069 102 3HG1 VAL 12 3HG1 VAL 12 -12.233 -15.242 0.666 103 1HG2 VAL 12 3HG2 VAL 12 -8.833 -13.344 -0.914 104 2HG2 VAL 12 1HG2 VAL 12 -9.422 -12.828 0.684 105 3HG2 VAL 12 2HG2 VAL 12 -8.886 -14.506 0.432 106 H LYS 13 H LYS 13 -12.181 -16.429 -2.136 107 HA LYS 13 HA LYS 13 -14.616 -15.131 -3.145 108 1HB LYS 13 1HB LYS 13 -13.078 -16.934 -4.486 109 2HB LYS 13 2HB LYS 13 -14.194 -18.015 -3.677 110 1HG LYS 13 1HG LYS 13 -15.931 -17.387 -5.012 111 2HG LYS 13 2HG LYS 13 -15.598 -15.682 -4.779 112 1HD LYS 13 1HD LYS 13 -14.003 -15.625 -6.568 113 2HD LYS 13 2HD LYS 13 -13.842 -17.369 -6.598 114 1HE LYS 13 1HE LYS 13 -15.937 -17.680 -7.671 115 2HE LYS 13 2HE LYS 13 -16.548 -16.121 -7.154 116 1HZ LYS 13 2HZ LYS 13 -14.302 -15.619 -8.649 117 2HZ LYS 13 3HZ LYS 13 -15.136 -16.749 -9.481 118 3HZ LYS 13 1HZ LYS 13 -15.854 -15.339 -9.073 119 HA PRO 14 HA PRO 14 -16.405 -16.634 0.508 120 1HB PRO 14 1HB PRO 14 -18.997 -15.930 0.008 121 2HB PRO 14 2HB PRO 14 -17.807 -14.814 0.648 122 1HG PRO 14 1HG PRO 14 -18.911 -14.977 -2.090 123 2HG PRO 14 2HG PRO 14 -18.069 -13.646 -1.324 124 1HD PRO 14 1HD PRO 14 -16.992 -15.477 -3.251 125 2HD PRO 14 2HD PRO 14 -16.119 -14.219 -2.399 126 H TRP 15 H TRP 15 -17.734 -18.299 1.414 127 HA TRP 15 HA TRP 15 -17.741 -20.553 -0.279 128 1HB TRP 15 1HB TRP 15 -18.283 -19.927 2.512 129 2HB TRP 15 2HB TRP 15 -19.397 -21.124 1.882 130 HD1 TRP 15 HD TRP 15 -16.507 -21.338 3.824 131 HE1 TRP 15 1HE TRP 15 -14.920 -23.401 3.390 132 HE3 TRP 15 3HE TRP 15 -18.364 -22.466 -0.773 133 HZ2 TRP 15 2HZ TRP 15 -14.626 -25.232 1.220 134 HZ3 TRP 15 3HZ TRP 15 -17.371 -24.406 -1.982 135 HH2 TRP 15 HH TRP 15 -15.564 -25.770 -1.058 136 H ASP 16 H ASP 16 -19.947 -17.895 0.333 137 HA ASP 16 HA ASP 16 -21.544 -18.389 -1.766 138 1HB ASP 16 1HB ASP 16 -22.247 -20.090 0.537 139 2HB ASP 16 2HB ASP 16 -23.590 -19.076 0.048 140 H ASP 17 H ASP 17 -23.812 -17.143 -1.436 141 HA ASP 17 HA ASP 17 -23.338 -14.634 -0.675 142 1HB ASP 17 1HB ASP 17 -25.999 -14.790 -0.056 143 2HB ASP 17 2HB ASP 17 -25.387 -14.707 -1.696 144 H GLU 18 H GLU 18 -24.050 -17.450 1.352 145 HA GLU 18 HA GLU 18 -25.024 -16.184 3.595 146 1HB GLU 18 1HB GLU 18 -24.431 -18.230 4.787 147 2HB GLU 18 2HB GLU 18 -25.041 -18.649 3.198 148 1HG GLU 18 1HG GLU 18 -22.600 -18.712 2.393 149 2HG GLU 18 2HG GLU 18 -22.119 -18.554 4.071 150 H THR 19 H THR 19 -21.624 -17.006 2.643 151 HA THR 19 HA THR 19 -20.273 -16.254 4.873 152 HB THR 19 HB THR 19 -19.686 -15.944 1.894 153 HG1 THR 19 1HG THR 19 -18.726 -17.629 4.098 154 1HG2 THR 19 3HG2 THR 19 -17.738 -15.712 4.248 155 2HG2 THR 19 1HG2 THR 19 -17.298 -15.736 2.523 156 3HG2 THR 19 2HG2 THR 19 -18.207 -14.358 3.190 157 H ASP 20 H ASP 20 -20.826 -14.587 6.172 158 HA ASP 20 HA ASP 20 -21.956 -12.267 5.430 159 1HB ASP 20 1HB ASP 20 -20.793 -13.348 7.762 160 2HB ASP 20 2HB ASP 20 -19.921 -11.848 7.519 161 H MET 21 H MET 21 -21.181 -10.955 3.747 162 HA MET 21 HA MET 21 -18.461 -10.800 3.124 163 1HB MET 21 1HB MET 21 -20.967 -9.235 2.355 164 2HB MET 21 2HB MET 21 -19.401 -8.732 1.748 165 1HG MET 21 1HG MET 21 -19.303 -11.434 1.200 166 2HG MET 21 2HG MET 21 -21.023 -11.139 1.041 167 1HE MET 21 3HE MET 21 -18.316 -11.798 -0.522 168 2HE MET 21 1HE MET 21 -19.207 -11.692 -2.059 169 3HE MET 21 2HE MET 21 -17.822 -10.614 -1.757 170 H ALA 22 H ALA 22 -20.487 -9.127 5.436 171 HA ALA 22 HA ALA 22 -18.877 -6.767 5.568 172 1HB ALA 22 1HB ALA 22 -21.063 -7.949 7.322 173 2HB ALA 22 2HB ALA 22 -20.290 -6.375 7.631 174 3HB ALA 22 3HB ALA 22 -21.218 -6.633 6.134 175 H LYS 23 H LYS 23 -19.091 -9.932 7.242 176 HA LYS 23 HA LYS 23 -17.203 -9.169 9.248 177 1HB LYS 23 1HB LYS 23 -19.138 -11.025 9.170 178 2HB LYS 23 2HB LYS 23 -17.800 -12.033 8.659 179 1HG LYS 23 1HG LYS 23 -17.141 -12.199 10.820 180 2HG LYS 23 2HG LYS 23 -16.782 -10.485 10.817 181 1HD LYS 23 1HD LYS 23 -19.407 -10.229 11.202 182 2HD LYS 23 2HD LYS 23 -19.295 -11.890 11.750 183 1HE LYS 23 1HE LYS 23 -17.112 -10.493 12.972 184 2HE LYS 23 2HE LYS 23 -18.516 -9.458 13.144 185 1HZ LYS 23 3HZ LYS 23 -19.589 -11.744 13.796 186 2HZ LYS 23 1HZ LYS 23 -18.054 -12.093 14.229 187 3HZ LYS 23 2HZ LYS 23 -18.819 -10.812 14.894 188 H LEU 24 H LEU 24 -17.160 -11.087 6.186 189 HA LEU 24 HA LEU 24 -14.503 -11.894 6.383 190 1HB LEU 24 1HB LEU 24 -16.611 -12.310 4.681 191 2HB LEU 24 2HB LEU 24 -15.521 -11.371 3.681 192 HG LEU 24 HG LEU 24 -14.735 -13.908 5.139 193 1HD1 LEU 24 2HD1 LEU 24 -16.352 -13.619 2.825 194 2HD1 LEU 24 3HD1 LEU 24 -14.762 -14.223 2.298 195 3HD1 LEU 24 1HD1 LEU 24 -15.683 -15.108 3.538 196 1HD2 LEU 24 2HD2 LEU 24 -13.068 -11.961 4.280 197 2HD2 LEU 24 3HD2 LEU 24 -12.646 -13.689 4.323 198 3HD2 LEU 24 1HD2 LEU 24 -13.195 -12.945 2.803 199 H GLU 25 H GLU 25 -16.028 -8.899 5.109 200 HA GLU 25 HA GLU 25 -13.563 -7.920 4.126 201 1HB GLU 25 1HB GLU 25 -15.904 -7.310 3.291 202 2HB GLU 25 2HB GLU 25 -16.091 -6.329 4.731 203 1HG GLU 25 1HG GLU 25 -13.637 -5.447 3.835 204 2HG GLU 25 2HG GLU 25 -14.407 -5.849 2.313 205 H GLU 26 H GLU 26 -15.364 -7.777 7.184 206 HA GLU 26 HA GLU 26 -13.878 -5.590 8.193 207 1HB GLU 26 1HB GLU 26 -15.942 -5.756 9.247 208 2HB GLU 26 2HB GLU 26 -15.933 -7.509 9.244 209 1HG GLU 26 1HG GLU 26 -14.756 -7.654 11.229 210 2HG GLU 26 2HG GLU 26 -13.784 -6.237 10.885 211 H CYS 27 H CYS 27 -14.025 -9.100 9.166 212 HA CYS 27 HA CYS 27 -11.992 -9.191 10.890 213 1HB CYS 27 1HB CYS 27 -13.363 -11.089 9.219 214 2HB CYS 27 2HB CYS 27 -11.659 -11.494 9.248 215 HG CYS 27 HG CYS 27 -13.864 -11.170 11.661 216 H VAL 28 H VAL 28 -11.667 -9.673 7.291 217 HA VAL 28 HA VAL 28 -9.014 -9.931 7.040 218 HB VAL 28 HB VAL 28 -11.155 -8.657 5.424 219 1HG1 VAL 28 1HG1 VAL 28 -8.210 -8.190 4.965 220 2HG1 VAL 28 2HG1 VAL 28 -9.351 -8.267 3.600 221 3HG1 VAL 28 3HG1 VAL 28 -9.563 -7.037 4.870 222 1HG2 VAL 28 3HG2 VAL 28 -9.386 -11.048 5.334 223 2HG2 VAL 28 1HG2 VAL 28 -11.108 -10.874 4.918 224 3HG2 VAL 28 2HG2 VAL 28 -9.857 -10.341 3.770 225 H ARG 29 H ARG 29 -10.793 -6.810 7.486 226 HA ARG 29 HA ARG 29 -8.468 -5.277 7.365 227 1HB ARG 29 1HB ARG 29 -11.294 -4.851 7.687 228 2HB ARG 29 2HB ARG 29 -10.506 -4.009 9.007 229 1HG ARG 29 1HG ARG 29 -8.869 -3.118 7.126 230 2HG ARG 29 2HG ARG 29 -10.145 -3.596 6.025 231 1HD ARG 29 1HD ARG 29 -10.993 -1.507 6.444 232 2HD ARG 29 2HD ARG 29 -11.617 -2.234 7.911 233 HE ARG 29 HE ARG 29 -9.059 -1.499 8.645 234 1HH1 ARG 29 2HH2 ARG 29 -11.733 0.233 7.151 235 2HH1 ARG 29 1HH2 ARG 29 -11.282 1.766 7.819 236 1HH2 ARG 29 2HH1 ARG 29 -8.464 0.523 9.529 237 2HH2 ARG 29 1HH1 ARG 29 -9.410 1.932 9.182 238 H SER 30 H SER 30 -10.365 -6.771 10.042 239 HA SER 30 HA SER 30 -9.196 -5.544 12.161 240 1HB SER 30 1HB SER 30 -10.213 -7.181 13.447 241 2HB SER 30 2HB SER 30 -11.081 -7.412 11.943 242 HG SER 30 HG SER 30 -9.720 -9.256 13.259 243 H ILE 31 H ILE 31 -7.970 -8.181 10.075 244 HA ILE 31 HA ILE 31 -5.941 -9.162 11.624 245 HB ILE 31 HB ILE 31 -6.100 -8.719 8.645 246 1HG1 ILE 31 1HG1 ILE 31 -6.586 -11.221 10.287 247 2HG1 ILE 31 2HG1 ILE 31 -7.855 -10.149 9.728 248 1HG2 ILE 31 1HG2 ILE 31 -4.089 -10.290 10.270 249 2HG2 ILE 31 2HG2 ILE 31 -4.357 -10.525 8.527 250 3HG2 ILE 31 3HG2 ILE 31 -3.781 -8.955 9.134 251 1HD1 ILE 31 1HD1 ILE 31 -7.040 -10.493 7.357 252 2HD1 ILE 31 2HD1 ILE 31 -5.886 -11.695 7.983 253 3HD1 ILE 31 3HD1 ILE 31 -7.637 -11.979 8.134 254 H GLN 32 H GLN 32 -4.076 -8.378 12.467 255 HA GLN 32 HA GLN 32 -3.083 -5.910 11.276 256 1HB GLN 32 1HB GLN 32 -4.301 -6.023 13.754 257 2HB GLN 32 2HB GLN 32 -2.617 -6.235 14.193 258 1HG GLN 32 1HG GLN 32 -2.391 -4.185 12.373 259 2HG GLN 32 2HG GLN 32 -3.987 -3.854 13.016 260 1HE2 GLN 32 2HE2 GLN 32 -2.953 -2.650 16.102 261 2HE2 GLN 32 1HE2 GLN 32 -4.235 -3.033 15.001 262 H ALA 33 H ALA 33 -0.735 -5.577 11.506 263 HA ALA 33 HA ALA 33 0.917 -7.494 12.718 264 1HB ALA 33 1HB ALA 33 -0.196 -8.409 10.319 265 2HB ALA 33 2HB ALA 33 1.418 -7.822 9.853 266 3HB ALA 33 3HB ALA 33 1.252 -9.054 11.126 267 H ASP 34 H ASP 34 3.229 -6.984 12.327 268 HA ASP 34 HA ASP 34 3.595 -4.247 12.199 269 1HB ASP 34 1HB ASP 34 5.073 -6.310 13.113 270 2HB ASP 34 2HB ASP 34 5.860 -6.135 11.558 271 H GLY 35 H GLY 35 4.078 -2.880 10.438 272 1HA GLY 35 1HA GLY 35 4.601 -2.223 8.344 273 2HA GLY 35 2HA GLY 35 5.301 -3.800 8.043 274 H LEU 36 H LEU 36 2.104 -4.120 9.257 275 HA LEU 36 HA LEU 36 1.157 -4.627 6.535 276 1HB LEU 36 1HB LEU 36 1.182 -6.511 8.106 277 2HB LEU 36 2HB LEU 36 0.142 -5.624 9.201 278 HG LEU 36 HG LEU 36 -1.406 -5.534 6.999 279 1HD1 LEU 36 1HD1 LEU 36 0.636 -7.459 6.349 280 2HD1 LEU 36 2HD1 LEU 36 -0.952 -8.258 6.446 281 3HD1 LEU 36 3HD1 LEU 36 -0.722 -6.865 5.362 282 1HD2 LEU 36 1HD2 LEU 36 -1.820 -6.439 9.372 283 2HD2 LEU 36 2HD2 LEU 36 -2.781 -7.111 8.032 284 3HD2 LEU 36 3HD2 LEU 36 -1.404 -8.029 8.689 285 H VAL 37 H VAL 37 -0.298 -3.284 5.611 286 HA VAL 37 HA VAL 37 -1.909 -1.630 7.418 287 HB VAL 37 HB VAL 37 -0.258 -0.769 5.047 288 1HG1 VAL 37 2HG1 VAL 37 -2.626 0.099 4.913 289 2HG1 VAL 37 3HG1 VAL 37 -2.332 0.936 6.457 290 3HG1 VAL 37 1HG1 VAL 37 -1.364 1.351 5.022 291 1HG2 VAL 37 3HG2 VAL 37 -0.149 -0.396 7.975 292 2HG2 VAL 37 1HG2 VAL 37 1.146 -0.318 6.756 293 3HG2 VAL 37 2HG2 VAL 37 0.089 1.089 7.022 294 H TRP 38 H TRP 38 -4.061 -1.511 6.870 295 HA TRP 38 HA TRP 38 -4.810 -3.017 4.472 296 1HB TRP 38 1HB TRP 38 -6.165 -2.465 7.093 297 2HB TRP 38 2HB TRP 38 -7.108 -2.899 5.680 298 HD1 TRP 38 HD TRP 38 -5.191 -4.492 8.452 299 HE1 TRP 38 1HE TRP 38 -4.909 -7.099 8.152 300 HE3 TRP 38 3HE TRP 38 -6.676 -4.624 3.590 301 HZ2 TRP 38 2HZ TRP 38 -5.330 -8.883 5.966 302 HZ3 TRP 38 3HZ TRP 38 -6.712 -6.840 2.446 303 HH2 TRP 38 HH TRP 38 -6.070 -8.921 3.555 304 H GLY 39 H GLY 39 -4.305 -1.209 3.026 305 1HA GLY 39 1HA GLY 39 -5.024 1.390 3.200 306 2HA GLY 39 2HA GLY 39 -5.052 0.469 1.709 307 H SER 40 H SER 40 -7.145 -1.270 1.898 308 HA SER 40 HA SER 40 -9.409 -0.686 3.112 309 1HB SER 40 1HB SER 40 -8.784 1.502 1.269 310 2HB SER 40 2HB SER 40 -10.311 0.751 0.848 311 HG SER 40 HG SER 40 -9.564 2.137 3.230 312 H SER 41 H SER 41 -10.968 -2.182 2.419 313 HA SER 41 HA SER 41 -10.162 -3.781 0.186 314 1HB SER 41 1HB SER 41 -11.845 -5.356 0.957 315 2HB SER 41 2HB SER 41 -10.948 -4.780 2.348 316 HG SER 41 HG SER 41 -12.675 -3.415 2.927 317 H LYS 42 H LYS 42 -12.022 -4.582 -1.353 318 HA LYS 42 HA LYS 42 -13.940 -2.440 -1.859 319 1HB LYS 42 1HB LYS 42 -13.325 -2.793 -4.367 320 2HB LYS 42 2HB LYS 42 -12.369 -1.711 -3.376 321 1HG LYS 42 1HG LYS 42 -10.812 -3.712 -2.902 322 2HG LYS 42 2HG LYS 42 -11.689 -4.583 -4.143 323 1HD LYS 42 1HD LYS 42 -10.856 -1.884 -5.023 324 2HD LYS 42 2HD LYS 42 -9.498 -2.893 -4.566 325 1HE LYS 42 1HE LYS 42 -9.768 -3.459 -6.831 326 2HE LYS 42 2HE LYS 42 -10.664 -4.740 -6.040 327 1HZ LYS 42 1HZ LYS 42 -12.351 -2.556 -6.420 328 2HZ LYS 42 2HZ LYS 42 -11.620 -2.892 -7.842 329 3HZ LYS 42 3HZ LYS 42 -12.467 -4.053 -7.064 330 H LEU 43 H LEU 43 -15.631 -3.199 -3.509 331 HA LEU 43 HA LEU 43 -16.001 -6.099 -3.215 332 1HB LEU 43 1HB LEU 43 -17.763 -3.840 -2.496 333 2HB LEU 43 2HB LEU 43 -18.537 -5.155 -3.359 334 HG LEU 43 HG LEU 43 -18.856 -5.659 -1.101 335 1HD1 LEU 43 1HD1 LEU 43 -17.520 -7.408 -2.677 336 2HD1 LEU 43 2HD1 LEU 43 -16.419 -7.323 -1.281 337 3HD1 LEU 43 3HD1 LEU 43 -18.122 -7.786 -1.045 338 1HD2 LEU 43 1HD2 LEU 43 -16.969 -3.956 -0.451 339 2HD2 LEU 43 2HD2 LEU 43 -17.434 -5.264 0.662 340 3HD2 LEU 43 3HD2 LEU 43 -15.968 -5.423 -0.334 341 H VAL 44 H VAL 44 -17.158 -7.146 -4.972 342 HA VAL 44 HA VAL 44 -17.691 -5.575 -7.323 343 HB VAL 44 HB VAL 44 -15.460 -7.615 -7.267 344 1HG1 VAL 44 2HG1 VAL 44 -17.233 -6.997 -9.375 345 2HG1 VAL 44 3HG1 VAL 44 -15.705 -6.164 -9.752 346 3HG1 VAL 44 1HG1 VAL 44 -15.713 -7.920 -9.461 347 1HG2 VAL 44 1HG2 VAL 44 -15.473 -4.618 -7.741 348 2HG2 VAL 44 2HG2 VAL 44 -14.684 -5.506 -6.414 349 3HG2 VAL 44 3HG2 VAL 44 -14.085 -5.680 -8.081 350 HA PRO 45 HA PRO 45 -20.488 -8.988 -6.959 351 1HB PRO 45 1HB PRO 45 -22.638 -7.742 -8.095 352 2HB PRO 45 2HB PRO 45 -22.295 -7.683 -6.378 353 1HG PRO 45 1HG PRO 45 -21.910 -5.577 -8.417 354 2HG PRO 45 2HG PRO 45 -21.981 -5.418 -6.673 355 1HD PRO 45 1HD PRO 45 -19.624 -5.349 -8.308 356 2HD PRO 45 2HD PRO 45 -19.688 -5.304 -6.557 357 H VAL 46 H VAL 46 -20.985 -10.693 -8.269 358 HA VAL 46 HA VAL 46 -20.173 -10.204 -11.040 359 HB VAL 46 HB VAL 46 -18.983 -11.899 -9.625 360 1HG1 VAL 46 2HG1 VAL 46 -20.910 -12.752 -8.370 361 2HG1 VAL 46 3HG1 VAL 46 -21.606 -13.414 -9.869 362 3HG1 VAL 46 1HG1 VAL 46 -20.078 -14.068 -9.234 363 1HG2 VAL 46 2HG2 VAL 46 -19.019 -11.924 -12.125 364 2HG2 VAL 46 3HG2 VAL 46 -18.807 -13.534 -11.392 365 3HG2 VAL 46 1HG2 VAL 46 -20.391 -13.056 -12.053 366 H GLY 47 H GLY 47 -22.765 -11.554 -8.935 367 1HA GLY 47 1HA GLY 47 -24.590 -11.341 -11.248 368 2HA GLY 47 2HA GLY 47 -24.571 -12.769 -10.232 369 H TYR 48 H TYR 48 -26.356 -12.757 -8.933 370 HA TYR 48 HA TYR 48 -26.893 -10.263 -7.472 371 1HB TYR 48 1HB TYR 48 -28.425 -11.044 -9.525 372 2HB TYR 48 2HB TYR 48 -28.971 -12.302 -8.435 373 HD1 TYR 48 1HD TYR 48 -28.387 -8.592 -8.204 374 HD2 TYR 48 2HD TYR 48 -31.016 -11.881 -7.446 375 HE1 TYR 48 1HE TYR 48 -30.106 -6.999 -7.217 376 HE2 TYR 48 2HE TYR 48 -32.727 -10.277 -6.461 377 HH TYR 48 HH TYR 48 -32.358 -6.848 -6.753 378 H GLY 49 H GLY 49 -25.758 -11.098 -5.629 379 1HA GLY 49 1HA GLY 49 -27.011 -12.123 -3.580 380 2HA GLY 49 2HA GLY 49 -26.776 -13.602 -4.491 381 H ILE 50 H ILE 50 -24.283 -13.454 -5.593 382 HA ILE 50 HA ILE 50 -22.597 -13.237 -3.208 383 HB ILE 50 HB ILE 50 -22.399 -14.902 -5.711 384 1HG1 ILE 50 1HG1 ILE 50 -22.123 -16.487 -3.431 385 2HG1 ILE 50 2HG1 ILE 50 -23.369 -15.336 -2.994 386 1HG2 ILE 50 3HG2 ILE 50 -20.329 -14.415 -3.563 387 2HG2 ILE 50 1HG2 ILE 50 -20.316 -15.842 -4.628 388 3HG2 ILE 50 2HG2 ILE 50 -20.167 -14.210 -5.325 389 1HD1 ILE 50 2HD1 ILE 50 -24.250 -15.918 -5.482 390 2HD1 ILE 50 3HD1 ILE 50 -23.382 -17.433 -5.139 391 3HD1 ILE 50 1HD1 ILE 50 -24.698 -16.898 -4.066 392 H LYS 51 H LYS 51 -20.336 -12.453 -3.549 393 HA LYS 51 HA LYS 51 -19.985 -10.794 -5.897 394 1HB LYS 51 1HB LYS 51 -19.775 -9.523 -3.163 395 2HB LYS 51 2HB LYS 51 -19.688 -8.743 -4.729 396 1HG LYS 51 1HG LYS 51 -22.078 -9.436 -5.170 397 2HG LYS 51 2HG LYS 51 -22.152 -10.121 -3.559 398 1HD LYS 51 1HD LYS 51 -21.746 -7.919 -2.542 399 2HD LYS 51 2HD LYS 51 -21.466 -7.198 -4.114 400 1HE LYS 51 1HE LYS 51 -23.683 -6.727 -4.222 401 2HE LYS 51 2HE LYS 51 -23.994 -8.445 -4.359 402 1HZ LYS 51 2HZ LYS 51 -23.769 -8.379 -1.821 403 2HZ LYS 51 3HZ LYS 51 -24.053 -6.778 -1.974 404 3HZ LYS 51 1HZ LYS 51 -25.158 -7.858 -2.504 405 H LYS 52 H LYS 52 -17.687 -9.755 -5.786 406 HA LYS 52 HA LYS 52 -15.917 -11.906 -5.028 407 1HB LYS 52 1HB LYS 52 -16.013 -9.984 -7.095 408 2HB LYS 52 2HB LYS 52 -14.601 -9.583 -6.139 409 1HG LYS 52 1HG LYS 52 -13.799 -11.934 -6.303 410 2HG LYS 52 2HG LYS 52 -15.232 -12.376 -7.208 411 1HD LYS 52 1HD LYS 52 -13.969 -10.058 -8.447 412 2HD LYS 52 2HD LYS 52 -12.782 -11.329 -8.234 413 1HE LYS 52 1HE LYS 52 -14.364 -12.953 -9.343 414 2HE LYS 52 2HE LYS 52 -15.495 -11.642 -9.608 415 1HZ LYS 52 3HZ LYS 52 -12.819 -11.135 -10.510 416 2HZ LYS 52 1HZ LYS 52 -13.601 -12.320 -11.318 417 3HZ LYS 52 2HZ LYS 52 -14.243 -10.820 -11.244 418 H LEU 53 H LEU 53 -14.689 -11.973 -3.214 419 HA LEU 53 HA LEU 53 -14.865 -9.675 -1.448 420 1HB LEU 53 1HB LEU 53 -15.230 -12.243 -0.932 421 2HB LEU 53 2HB LEU 53 -13.489 -12.226 -0.733 422 HG LEU 53 HG LEU 53 -14.946 -11.911 1.347 423 1HD1 LEU 53 2HD1 LEU 53 -12.730 -9.945 0.713 424 2HD1 LEU 53 3HD1 LEU 53 -13.358 -10.288 2.343 425 3HD1 LEU 53 1HD1 LEU 53 -12.559 -11.575 1.408 426 1HD2 LEU 53 1HD2 LEU 53 -16.318 -10.093 0.025 427 2HD2 LEU 53 2HD2 LEU 53 -16.050 -9.948 1.779 428 3HD2 LEU 53 3HD2 LEU 53 -15.054 -9.003 0.646 429 H GLN 54 H GLN 54 -13.514 -8.376 -3.007 430 HA GLN 54 HA GLN 54 -10.729 -9.165 -2.934 431 1HB GLN 54 1HB GLN 54 -12.430 -7.593 -4.748 432 2HB GLN 54 2HB GLN 54 -10.932 -6.761 -4.376 433 1HG GLN 54 1HG GLN 54 -9.592 -8.440 -5.326 434 2HG GLN 54 2HG GLN 54 -10.780 -9.698 -5.053 435 1HE2 GLN 54 2HE2 GLN 54 -11.016 -7.180 -8.333 436 2HE2 GLN 54 1HE2 GLN 54 -10.128 -6.756 -6.907 437 H ILE 55 H ILE 55 -9.130 -7.982 -1.847 438 HA ILE 55 HA ILE 55 -9.997 -5.529 -0.521 439 HB ILE 55 HB ILE 55 -9.096 -6.226 1.589 440 1HG1 ILE 55 1HG1 ILE 55 -7.345 -7.757 0.558 441 2HG1 ILE 55 2HG1 ILE 55 -8.090 -8.296 2.050 442 1HG2 ILE 55 1HG2 ILE 55 -11.437 -7.228 0.414 443 2HG2 ILE 55 2HG2 ILE 55 -10.722 -8.598 1.298 444 3HG2 ILE 55 3HG2 ILE 55 -11.069 -7.073 2.150 445 1HD1 ILE 55 2HD1 ILE 55 -9.656 -9.194 -0.252 446 2HD1 ILE 55 3HD1 ILE 55 -7.962 -9.723 -0.382 447 3HD1 ILE 55 1HD1 ILE 55 -8.921 -10.154 1.054 448 H GLN 56 H GLN 56 -8.085 -4.252 0.300 449 HA GLN 56 HA GLN 56 -5.710 -4.919 -1.249 450 1HB GLN 56 1HB GLN 56 -6.893 -3.158 -2.468 451 2HB GLN 56 2HB GLN 56 -7.054 -2.193 -1.013 452 1HG GLN 56 1HG GLN 56 -4.649 -1.829 -0.887 453 2HG GLN 56 2HG GLN 56 -4.341 -3.014 -2.141 454 1HE2 GLN 56 2HE2 GLN 56 -4.022 -0.215 -4.240 455 2HE2 GLN 56 1HE2 GLN 56 -3.212 -1.424 -3.300 456 H CYS 57 H CYS 57 -3.689 -4.316 -0.279 457 HA CYS 57 HA CYS 57 -3.869 -3.083 2.346 458 1HB CYS 57 1HB CYS 57 -2.219 -4.885 3.178 459 2HB CYS 57 2HB CYS 57 -3.923 -5.287 3.105 460 HG CYS 57 HG CYS 57 -3.929 -6.871 1.266 461 H VAL 58 H VAL 58 -1.346 -2.897 3.133 462 HA VAL 58 HA VAL 58 0.294 -2.324 0.779 463 HB VAL 58 HB VAL 58 -0.314 -0.447 3.069 464 1HG1 VAL 58 3HG1 VAL 58 2.005 -0.613 1.252 465 2HG1 VAL 58 1HG1 VAL 58 1.233 0.989 1.324 466 3HG1 VAL 58 2HG1 VAL 58 1.825 0.219 2.815 467 1HG2 VAL 58 3HG2 VAL 58 -2.021 -0.459 1.318 468 2HG2 VAL 58 1HG2 VAL 58 -1.102 1.065 1.288 469 3HG2 VAL 58 2HG2 VAL 58 -0.773 -0.197 0.076 470 H VAL 59 H VAL 59 1.167 -4.471 1.480 471 HA VAL 59 HA VAL 59 2.558 -4.459 4.015 472 HB VAL 59 HB VAL 59 3.132 -6.752 3.409 473 1HG1 VAL 59 3HG1 VAL 59 0.280 -5.821 3.263 474 2HG1 VAL 59 1HG1 VAL 59 0.652 -7.546 3.035 475 3HG1 VAL 59 2HG1 VAL 59 1.118 -6.726 4.545 476 1HG2 VAL 59 1HG2 VAL 59 2.728 -5.861 0.760 477 2HG2 VAL 59 2HG2 VAL 59 3.173 -7.497 1.306 478 3HG2 VAL 59 3HG2 VAL 59 1.461 -7.071 1.074 479 H GLU 60 H GLU 60 4.942 -5.476 3.811 480 HA GLU 60 HA GLU 60 6.348 -3.509 2.280 481 1HB GLU 60 1HB GLU 60 6.799 -4.926 4.701 482 2HB GLU 60 2HB GLU 60 8.059 -5.461 3.609 483 1HG GLU 60 1HG GLU 60 7.479 -2.508 3.693 484 2HG GLU 60 2HG GLU 60 8.287 -3.204 5.083 485 H ASP 61 H ASP 61 8.531 -4.385 1.192 486 HA ASP 61 HA ASP 61 7.688 -6.637 -0.456 487 1HB ASP 61 1HB ASP 61 8.381 -4.059 -1.231 488 2HB ASP 61 2HB ASP 61 9.903 -4.905 -1.430 489 H ASP 62 H ASP 62 9.533 -5.945 2.170 490 HA ASP 62 HA ASP 62 11.375 -8.044 1.563 491 1HB ASP 62 1HB ASP 62 12.409 -5.732 0.884 492 2HB ASP 62 2HB ASP 62 12.503 -5.419 2.606 493 H LYS 63 H LYS 63 9.038 -7.310 3.384 494 HA LYS 63 HA LYS 63 10.436 -7.703 5.935 495 1HB LYS 63 1HB LYS 63 9.283 -5.378 5.426 496 2HB LYS 63 2HB LYS 63 7.816 -6.247 5.832 497 1HG LYS 63 1HG LYS 63 8.460 -6.594 8.054 498 2HG LYS 63 2HG LYS 63 10.172 -6.580 7.679 499 1HD LYS 63 1HD LYS 63 9.989 -4.497 8.696 500 2HD LYS 63 2HD LYS 63 9.694 -4.029 7.033 501 1HE LYS 63 1HE LYS 63 7.151 -4.554 7.640 502 2HE LYS 63 2HE LYS 63 7.703 -4.350 9.291 503 1HZ LYS 63 3HZ LYS 63 8.268 -2.361 7.214 504 2HZ LYS 63 1HZ LYS 63 6.911 -2.311 8.121 505 3HZ LYS 63 2HZ LYS 63 8.374 -2.177 8.833 506 H VAL 64 H VAL 64 6.974 -7.713 4.865 507 HA VAL 64 HA VAL 64 6.903 -10.532 5.697 508 HB VAL 64 HB VAL 64 5.768 -8.768 7.169 509 1HG1 VAL 64 1HG1 VAL 64 3.898 -8.759 4.782 510 2HG1 VAL 64 2HG1 VAL 64 3.423 -8.215 6.409 511 3HG1 VAL 64 3HG1 VAL 64 4.724 -7.373 5.532 512 1HG2 VAL 64 1HG2 VAL 64 5.287 -11.394 6.790 513 2HG2 VAL 64 2HG2 VAL 64 4.382 -10.393 7.950 514 3HG2 VAL 64 3HG2 VAL 64 3.694 -10.737 6.345 515 H GLY 65 H GLY 65 4.690 -11.519 4.692 516 1HA GLY 65 1HA GLY 65 4.528 -10.636 1.878 517 2HA GLY 65 2HA GLY 65 4.817 -12.315 2.289 518 H THR 66 H THR 66 2.644 -12.088 0.818 519 HA THR 66 HA THR 66 0.297 -11.426 2.316 520 HB THR 66 HB THR 66 0.914 -12.683 -0.394 521 HG1 THR 66 1HG THR 66 0.005 -10.573 -0.959 522 1HG2 THR 66 1HG2 THR 66 -1.351 -13.466 0.761 523 2HG2 THR 66 2HG2 THR 66 -1.855 -11.785 0.466 524 3HG2 THR 66 3HG2 THR 66 -1.396 -12.829 -0.900 525 H ASP 67 H ASP 67 2.365 -14.225 2.027 526 HA ASP 67 HA ASP 67 0.742 -16.304 2.311 527 1HB ASP 67 1HB ASP 67 2.578 -17.026 4.158 528 2HB ASP 67 2HB ASP 67 2.942 -16.974 2.445 529 H MET 68 H MET 68 2.253 -14.729 5.234 530 HA MET 68 HA MET 68 0.811 -15.791 7.164 531 1HB MET 68 1HB MET 68 2.530 -13.649 6.942 532 2HB MET 68 2HB MET 68 1.049 -12.791 7.316 533 1HG MET 68 1HG MET 68 1.056 -14.950 9.137 534 2HG MET 68 2HG MET 68 2.734 -14.445 9.074 535 1HE MET 68 1HE MET 68 -0.742 -13.839 9.577 536 2HE MET 68 2HE MET 68 -0.694 -12.978 11.133 537 3HE MET 68 3HE MET 68 -0.953 -12.072 9.623 538 H LEU 69 H LEU 69 -0.220 -12.768 5.414 539 HA LEU 69 HA LEU 69 -2.596 -12.354 6.663 540 1HB LEU 69 1HB LEU 69 -1.572 -11.843 3.905 541 2HB LEU 69 2HB LEU 69 -3.269 -11.554 4.236 542 HG LEU 69 HG LEU 69 -0.872 -10.207 5.486 543 1HD1 LEU 69 1HD1 LEU 69 -3.161 -9.318 3.740 544 2HD1 LEU 69 2HD1 LEU 69 -2.234 -8.163 4.727 545 3HD1 LEU 69 3HD1 LEU 69 -1.410 -9.133 3.484 546 1HD2 LEU 69 3HD2 LEU 69 -3.603 -10.554 6.590 547 2HD2 LEU 69 1HD2 LEU 69 -2.050 -10.268 7.413 548 3HD2 LEU 69 2HD2 LEU 69 -2.920 -8.912 6.656 549 H GLU 70 H GLU 70 -2.260 -14.188 3.538 550 HA GLU 70 HA GLU 70 -4.766 -15.106 3.379 551 1HB GLU 70 1HB GLU 70 -2.896 -15.460 1.723 552 2HB GLU 70 2HB GLU 70 -2.276 -16.746 2.738 553 1HG GLU 70 1HG GLU 70 -4.839 -17.607 2.541 554 2HG GLU 70 2HG GLU 70 -4.766 -16.688 1.050 555 H GLU 71 H GLU 71 -2.027 -16.864 5.014 556 HA GLU 71 HA GLU 71 -3.408 -18.994 5.908 557 1HB GLU 71 1HB GLU 71 -0.881 -17.850 6.365 558 2HB GLU 71 2HB GLU 71 -1.575 -17.974 7.969 559 1HG GLU 71 1HG GLU 71 -2.120 -20.401 6.416 560 2HG GLU 71 2HG GLU 71 -0.400 -20.062 6.452 561 H GLN 72 H GLN 72 -3.709 -15.648 6.928 562 HA GLN 72 HA GLN 72 -5.120 -16.451 9.322 563 1HB GLN 72 1HB GLN 72 -3.512 -14.626 9.572 564 2HB GLN 72 2HB GLN 72 -4.257 -13.726 8.266 565 1HG GLN 72 1HG GLN 72 -5.996 -12.984 9.580 566 2HG GLN 72 2HG GLN 72 -6.143 -14.508 10.432 567 1HE2 GLN 72 2HE2 GLN 72 -5.046 -12.240 13.021 568 2HE2 GLN 72 1HE2 GLN 72 -6.443 -12.668 12.090 569 H ILE 73 H ILE 73 -5.597 -14.836 6.145 570 HA ILE 73 HA ILE 73 -8.313 -14.183 6.648 571 HB ILE 73 HB ILE 73 -6.793 -14.410 4.047 572 1HG1 ILE 73 1HG1 ILE 73 -7.308 -11.878 5.610 573 2HG1 ILE 73 2HG1 ILE 73 -5.878 -12.852 5.888 574 1HG2 ILE 73 2HG2 ILE 73 -9.480 -13.245 4.767 575 2HG2 ILE 73 3HG2 ILE 73 -8.557 -12.678 3.355 576 3HG2 ILE 73 1HG2 ILE 73 -9.058 -14.383 3.465 577 1HD1 ILE 73 1HD1 ILE 73 -5.274 -12.678 3.477 578 2HD1 ILE 73 2HD1 ILE 73 -6.725 -11.685 3.195 579 3HD1 ILE 73 3HD1 ILE 73 -5.414 -11.073 4.234 580 H THR 74 H THR 74 -6.870 -16.556 4.298 581 HA THR 74 HA THR 74 -9.269 -17.930 3.905 582 HB THR 74 HB THR 74 -6.972 -17.866 2.593 583 HG1 THR 74 1HG THR 74 -9.083 -19.215 2.376 584 1HG2 THR 74 2HG2 THR 74 -6.634 -20.313 4.407 585 2HG2 THR 74 3HG2 THR 74 -5.632 -19.926 2.987 586 3HG2 THR 74 1HG2 THR 74 -5.580 -18.879 4.425 587 H ALA 75 H ALA 75 -6.995 -17.991 6.568 588 HA ALA 75 HA ALA 75 -7.132 -20.460 7.580 589 1HB ALA 75 1HB ALA 75 -6.619 -17.843 8.527 590 2HB ALA 75 2HB ALA 75 -7.769 -18.562 9.679 591 3HB ALA 75 3HB ALA 75 -6.228 -19.381 9.331 592 H PHE 76 H PHE 76 -9.819 -18.169 7.207 593 HA PHE 76 HA PHE 76 -11.561 -19.802 8.833 594 1HB PHE 76 1HB PHE 76 -11.447 -17.123 7.532 595 2HB PHE 76 2HB PHE 76 -13.025 -17.866 7.361 596 HD1 PHE 76 1HD PHE 76 -13.543 -19.199 9.831 597 HD2 PHE 76 2HD PHE 76 -11.495 -15.537 9.196 598 HE1 PHE 76 1HE PHE 76 -14.141 -18.463 12.154 599 HE2 PHE 76 2HE PHE 76 -12.093 -14.801 11.521 600 HZ PHE 76 HZ PHE 76 -13.409 -16.272 12.971 601 H GLU 77 H GLU 77 -11.078 -21.733 7.326 602 HA GLU 77 HA GLU 77 -11.960 -21.702 4.709 603 1HB GLU 77 1HB GLU 77 -12.268 -24.312 5.341 604 2HB GLU 77 2HB GLU 77 -10.696 -23.581 5.087 605 1HG GLU 77 1HG GLU 77 -11.002 -24.975 7.244 606 2HG GLU 77 2HG GLU 77 -10.257 -23.399 7.420 607 H ASP 78 H ASP 78 -13.734 -21.440 7.632 608 HA ASP 78 HA ASP 78 -16.053 -22.782 6.636 609 1HB ASP 78 1HB ASP 78 -15.079 -21.978 9.169 610 2HB ASP 78 2HB ASP 78 -16.478 -20.957 8.903 611 H TYR 79 H TYR 79 -14.654 -20.196 5.448 612 HA TYR 79 HA TYR 79 -17.142 -18.817 4.912 613 1HB TYR 79 1HB TYR 79 -14.602 -17.581 6.146 614 2HB TYR 79 2HB TYR 79 -15.928 -16.622 5.519 615 HD1 TYR 79 1HD TYR 79 -18.215 -16.818 6.634 616 HD2 TYR 79 2HD TYR 79 -14.651 -18.442 8.357 617 HE1 TYR 79 1HE TYR 79 -19.350 -16.915 8.908 618 HE2 TYR 79 2HE TYR 79 -15.797 -18.533 10.624 619 HH TYR 79 HH TYR 79 -18.403 -16.851 11.393 620 H VAL 80 H VAL 80 -13.571 -19.078 4.472 621 HA VAL 80 HA VAL 80 -13.737 -17.751 1.917 622 HB VAL 80 HB VAL 80 -11.456 -19.123 3.353 623 1HG1 VAL 80 3HG1 VAL 80 -11.652 -17.663 0.746 624 2HG1 VAL 80 1HG1 VAL 80 -10.190 -17.439 1.736 625 3HG1 VAL 80 2HG1 VAL 80 -10.660 -19.070 1.199 626 1HG2 VAL 80 1HG2 VAL 80 -12.769 -16.631 3.853 627 2HG2 VAL 80 2HG2 VAL 80 -11.337 -17.320 4.655 628 3HG2 VAL 80 3HG2 VAL 80 -11.143 -16.292 3.215 629 H GLN 81 H GLN 81 -14.002 -18.723 -0.038 630 HA GLN 81 HA GLN 81 -14.367 -21.568 0.012 631 1HB GLN 81 1HB GLN 81 -15.963 -19.999 -1.153 632 2HB GLN 81 2HB GLN 81 -14.696 -19.604 -2.298 633 1HG GLN 81 1HG GLN 81 -14.658 -22.378 -2.372 634 2HG GLN 81 2HG GLN 81 -16.358 -22.062 -2.090 635 1HE2 GLN 81 2HE2 GLN 81 -14.582 -21.348 -5.686 636 2HE2 GLN 81 1HE2 GLN 81 -13.751 -21.968 -4.298 637 H SER 82 H SER 82 -12.039 -19.140 -1.125 638 HA SER 82 HA SER 82 -9.955 -20.829 -1.284 639 1HB SER 82 1HB SER 82 -11.599 -20.873 -3.796 640 2HB SER 82 2HB SER 82 -9.859 -20.803 -3.993 641 HG SER 82 HG SER 82 -9.632 -22.741 -2.794 642 H MET 83 H MET 83 -8.425 -19.271 -0.905 643 HA MET 83 HA MET 83 -8.854 -16.635 -1.873 644 1HB MET 83 1HB MET 83 -7.848 -17.001 0.344 645 2HB MET 83 2HB MET 83 -6.590 -18.014 -0.335 646 1HG MET 83 1HG MET 83 -6.864 -15.166 -1.329 647 2HG MET 83 2HG MET 83 -6.110 -15.449 0.228 648 1HE MET 83 2HE MET 83 -4.174 -14.762 0.078 649 2HE MET 83 3HE MET 83 -2.809 -15.795 -0.408 650 3HE MET 83 1HE MET 83 -3.362 -14.488 -1.482 651 H ASP 84 H ASP 84 -7.336 -15.399 -3.224 652 HA ASP 84 HA ASP 84 -5.396 -16.928 -4.667 653 1HB ASP 84 1HB ASP 84 -8.004 -16.016 -5.843 654 2HB ASP 84 2HB ASP 84 -6.580 -15.751 -6.829 655 H VAL 85 H VAL 85 -4.790 -15.118 -6.711 656 HA VAL 85 HA VAL 85 -4.301 -12.645 -5.205 657 HB VAL 85 HB VAL 85 -2.767 -14.044 -7.399 658 1HG1 VAL 85 3HG1 VAL 85 -2.616 -11.220 -6.404 659 2HG1 VAL 85 1HG1 VAL 85 -1.106 -12.063 -6.824 660 3HG1 VAL 85 2HG1 VAL 85 -2.386 -11.868 -8.046 661 1HG2 VAL 85 1HG2 VAL 85 -2.539 -14.857 -5.023 662 2HG2 VAL 85 2HG2 VAL 85 -1.026 -14.300 -5.776 663 3HG2 VAL 85 3HG2 VAL 85 -1.875 -13.259 -4.609 664 H ALA 86 H ALA 86 -5.005 -10.697 -6.015 665 HA ALA 86 HA ALA 86 -6.701 -10.881 -8.375 666 1HB ALA 86 1HB ALA 86 -7.053 -9.718 -5.915 667 2HB ALA 86 2HB ALA 86 -6.493 -8.331 -6.878 668 3HB ALA 86 3HB ALA 86 -7.932 -9.244 -7.389 669 H ALA 87 H ALA 87 -3.710 -9.364 -7.130 670 HA ALA 87 HA ALA 87 -2.636 -9.025 -9.668 671 1HB ALA 87 1HB ALA 87 -4.582 -7.214 -9.484 672 2HB ALA 87 2HB ALA 87 -3.340 -6.315 -8.580 673 3HB ALA 87 3HB ALA 87 -3.027 -6.822 -10.257 674 H PHE 88 H PHE 88 -0.752 -7.128 -9.382 675 HA PHE 88 HA PHE 88 0.216 -7.087 -6.672 676 1HB PHE 88 1HB PHE 88 0.993 -9.079 -8.682 677 2HB PHE 88 2HB PHE 88 2.374 -8.053 -8.344 678 HD1 PHE 88 1HD PHE 88 -0.143 -10.246 -6.731 679 HD2 PHE 88 2HD PHE 88 3.633 -8.343 -6.380 680 HE1 PHE 88 1HE PHE 88 0.331 -11.569 -4.650 681 HE2 PHE 88 2HE PHE 88 4.107 -9.665 -4.299 682 HZ PHE 88 HZ PHE 88 2.450 -11.261 -3.459 683 H ASN 89 H ASN 89 0.723 -4.952 -6.495 684 HA ASN 89 HA ASN 89 2.414 -3.882 -8.596 685 1HB ASN 89 1HB ASN 89 0.153 -2.290 -7.286 686 2HB ASN 89 2HB ASN 89 1.170 -1.764 -8.613 687 1HD2 ASN 89 2HD2 ASN 89 -2.217 -3.005 -9.769 688 2HD2 ASN 89 1HD2 ASN 89 -1.690 -1.922 -8.524 689 H LYS 90 H LYS 90 3.387 -1.646 -7.719 690 HA LYS 90 HA LYS 90 4.130 -2.126 -4.934 691 1HB LYS 90 1HB LYS 90 5.915 -0.326 -5.654 692 2HB LYS 90 2HB LYS 90 6.107 -2.016 -6.073 693 1HG LYS 90 1HG LYS 90 5.317 -1.657 -8.326 694 2HG LYS 90 2HG LYS 90 4.690 -0.068 -7.937 695 1HD LYS 90 1HD LYS 90 7.477 -0.058 -7.241 696 2HD LYS 90 2HD LYS 90 7.353 -0.792 -8.826 697 1HE LYS 90 1HE LYS 90 5.722 1.246 -9.339 698 2HE LYS 90 2HE LYS 90 6.507 1.985 -7.958 699 1HZ LYS 90 2HZ LYS 90 8.633 1.543 -9.053 700 2HZ LYS 90 3HZ LYS 90 7.848 0.968 -10.365 701 3HZ LYS 90 1HZ LYS 90 7.678 2.534 -9.933 702 H ILE 91 H ILE 91 3.746 -0.699 -3.350 703 HA ILE 91 HA ILE 91 2.577 1.930 -4.031 704 HB ILE 91 HB ILE 91 1.237 -0.290 -2.473 705 1HG1 ILE 91 1HG1 ILE 91 0.465 1.643 -4.691 706 2HG1 ILE 91 2HG1 ILE 91 0.556 -0.133 -4.770 707 1HG2 ILE 91 2HG2 ILE 91 0.774 2.715 -2.268 708 2HG2 ILE 91 3HG2 ILE 91 -0.356 1.480 -1.663 709 3HG2 ILE 91 1HG2 ILE 91 1.272 1.619 -0.957 710 1HD1 ILE 91 3HD1 ILE 91 -1.196 0.142 -2.715 711 2HD1 ILE 91 1HD1 ILE 91 -1.568 1.626 -3.624 712 3HD1 ILE 91 2HD1 ILE 91 -1.707 0.039 -4.417 No H/Q in entry = 712 Start of MODEL 16 1 1H MET 1 2HN MET 1 15.082 5.249 5.499 2 2H MET 1 3HN MET 1 15.350 6.289 6.758 3 3H MET 1 H MET 1 16.298 4.945 6.579 4 HA MET 1 HA MET 1 15.002 4.065 8.089 5 1HB MET 1 1HB MET 1 13.210 6.321 7.230 6 2HB MET 1 2HB MET 1 12.503 4.959 8.131 7 1HG MET 1 1HG MET 1 14.287 5.240 9.859 8 2HG MET 1 2HG MET 1 14.868 6.667 8.985 9 1HE MET 1 1HE MET 1 13.934 6.249 12.087 10 2HE MET 1 2HE MET 1 14.658 7.778 11.534 11 3HE MET 1 3HE MET 1 13.116 7.794 12.422 12 H LEU 2 H LEU 2 12.416 3.036 7.951 13 HA LEU 2 HA LEU 2 12.709 1.040 6.054 14 1HB LEU 2 1HB LEU 2 10.857 1.810 8.112 15 2HB LEU 2 2HB LEU 2 9.968 1.287 6.693 16 HG LEU 2 HG LEU 2 12.218 -0.401 7.761 17 1HD1 LEU 2 2HD1 LEU 2 10.180 0.362 9.427 18 2HD1 LEU 2 3HD1 LEU 2 9.544 -1.146 8.725 19 3HD1 LEU 2 1HD1 LEU 2 11.117 -1.146 9.561 20 1HD2 LEU 2 1HD2 LEU 2 10.265 -0.620 5.674 21 2HD2 LEU 2 2HD2 LEU 2 11.590 -1.728 6.101 22 3HD2 LEU 2 3HD2 LEU 2 9.993 -1.911 6.868 23 H VAL 3 H VAL 3 12.019 0.738 3.954 24 HA VAL 3 HA VAL 3 10.180 2.613 2.786 25 HB VAL 3 HB VAL 3 12.571 3.618 2.791 26 1HG1 VAL 3 2HG1 VAL 3 13.696 1.559 1.990 27 2HG1 VAL 3 3HG1 VAL 3 12.822 1.705 0.446 28 3HG1 VAL 3 1HG1 VAL 3 13.991 2.957 0.929 29 1HG2 VAL 3 3HG2 VAL 3 10.347 3.835 1.074 30 2HG2 VAL 3 1HG2 VAL 3 11.656 5.018 1.314 31 3HG2 VAL 3 2HG2 VAL 3 11.778 3.806 0.015 32 H ALA 4 H ALA 4 10.138 2.021 0.231 33 HA ALA 4 HA ALA 4 9.807 0.476 -1.328 34 1HB ALA 4 1HB ALA 4 11.975 -0.622 0.234 35 2HB ALA 4 2HB ALA 4 10.895 -1.936 -0.289 36 3HB ALA 4 3HB ALA 4 11.616 -0.844 -1.495 37 H LYS 5 H LYS 5 7.541 0.641 -0.861 38 HA LYS 5 HA LYS 5 6.543 -1.580 0.785 39 1HB LYS 5 1HB LYS 5 5.515 1.222 0.348 40 2HB LYS 5 2HB LYS 5 4.438 -0.063 0.860 41 1HG LYS 5 1HG LYS 5 7.014 0.113 2.367 42 2HG LYS 5 2HG LYS 5 5.930 1.471 2.585 43 1HD LYS 5 1HD LYS 5 4.296 -0.870 2.723 44 2HD LYS 5 2HD LYS 5 5.725 -1.222 3.675 45 1HE LYS 5 1HE LYS 5 4.107 -0.178 5.153 46 2HE LYS 5 2HE LYS 5 5.399 0.978 4.893 47 1HZ LYS 5 1HZ LYS 5 3.820 1.656 2.932 48 2HZ LYS 5 2HZ LYS 5 2.680 1.044 3.928 49 3HZ LYS 5 3HZ LYS 5 3.634 2.267 4.435 50 H SER 6 H SER 6 4.160 -2.167 0.007 51 HA SER 6 HA SER 6 3.860 -1.913 -2.821 52 1HB SER 6 1HB SER 6 5.394 -3.800 -2.797 53 2HB SER 6 2HB SER 6 4.484 -4.603 -1.533 54 HG SER 6 HG SER 6 3.507 -4.037 -4.204 55 H SER 7 H SER 7 1.749 -3.058 -3.536 56 HA SER 7 HA SER 7 -0.058 -3.126 -1.245 57 1HB SER 7 1HB SER 7 -0.862 -1.260 -2.343 58 2HB SER 7 2HB SER 7 -0.251 -1.773 -3.903 59 HG SER 7 HG SER 7 -2.543 -1.891 -3.911 60 H ILE 8 H ILE 8 -0.351 -5.322 -0.889 61 HA ILE 8 HA ILE 8 -0.539 -7.091 -3.168 62 HB ILE 8 HB ILE 8 -0.803 -7.774 -0.247 63 1HG1 ILE 8 1HG1 ILE 8 1.265 -6.455 -0.642 64 2HG1 ILE 8 2HG1 ILE 8 1.567 -8.100 -0.119 65 1HG2 ILE 8 3HG2 ILE 8 -1.154 -9.307 -2.527 66 2HG2 ILE 8 1HG2 ILE 8 0.514 -9.674 -2.024 67 3HG2 ILE 8 2HG2 ILE 8 -0.831 -9.909 -0.883 68 1HD1 ILE 8 2HD1 ILE 8 1.380 -7.857 -3.060 69 2HD1 ILE 8 3HD1 ILE 8 2.696 -6.890 -2.353 70 3HD1 ILE 8 1HD1 ILE 8 2.626 -8.644 -2.062 71 H LEU 9 H LEU 9 -2.433 -7.115 -4.264 72 HA LEU 9 HA LEU 9 -4.881 -6.706 -2.732 73 1HB LEU 9 1HB LEU 9 -4.447 -5.304 -4.700 74 2HB LEU 9 2HB LEU 9 -4.376 -6.734 -5.711 75 HG LEU 9 HG LEU 9 -6.804 -7.166 -4.783 76 1HD1 LEU 9 1HD1 LEU 9 -6.493 -5.136 -3.204 77 2HD1 LEU 9 2HD1 LEU 9 -6.848 -4.160 -4.650 78 3HD1 LEU 9 3HD1 LEU 9 -8.042 -5.341 -4.057 79 1HD2 LEU 9 2HD2 LEU 9 -5.721 -6.006 -7.113 80 2HD2 LEU 9 3HD2 LEU 9 -7.310 -6.780 -6.907 81 3HD2 LEU 9 1HD2 LEU 9 -7.139 -5.024 -6.675 82 H LEU 10 H LEU 10 -5.985 -8.436 -2.007 83 HA LEU 10 HA LEU 10 -5.572 -10.958 -3.453 84 1HB LEU 10 1HB LEU 10 -6.032 -10.303 -0.563 85 2HB LEU 10 2HB LEU 10 -6.484 -11.875 -1.194 86 HG LEU 10 HG LEU 10 -4.141 -12.225 -1.949 87 1HD1 LEU 10 2HD1 LEU 10 -3.921 -9.421 -1.291 88 2HD1 LEU 10 3HD1 LEU 10 -2.710 -10.373 -0.402 89 3HD1 LEU 10 1HD1 LEU 10 -2.795 -10.476 -2.177 90 1HD2 LEU 10 3HD2 LEU 10 -4.486 -11.615 1.000 91 2HD2 LEU 10 1HD2 LEU 10 -4.890 -13.140 0.176 92 3HD2 LEU 10 2HD2 LEU 10 -3.194 -12.611 0.288 93 H ASP 11 H ASP 11 -7.416 -12.304 -3.886 94 HA ASP 11 HA ASP 11 -9.929 -10.850 -3.642 95 1HB ASP 11 1HB ASP 11 -8.553 -11.514 -6.033 96 2HB ASP 11 2HB ASP 11 -9.837 -12.701 -5.918 97 H VAL 12 H VAL 12 -10.614 -12.150 -1.828 98 HA VAL 12 HA VAL 12 -10.461 -15.032 -2.094 99 HB VAL 12 HB VAL 12 -11.561 -13.313 0.138 100 1HG1 VAL 12 3HG1 VAL 12 -11.420 -16.189 -0.313 101 2HG1 VAL 12 1HG1 VAL 12 -10.565 -15.709 1.172 102 3HG1 VAL 12 2HG1 VAL 12 -12.275 -15.271 0.950 103 1HG2 VAL 12 1HG2 VAL 12 -9.078 -12.995 -0.545 104 2HG2 VAL 12 2HG2 VAL 12 -9.464 -13.292 1.168 105 3HG2 VAL 12 3HG2 VAL 12 -8.840 -14.615 0.154 106 H LYS 13 H LYS 13 -12.322 -16.419 -2.059 107 HA LYS 13 HA LYS 13 -14.738 -15.035 -2.989 108 1HB LYS 13 1HB LYS 13 -13.242 -16.890 -4.343 109 2HB LYS 13 2HB LYS 13 -14.445 -17.912 -3.584 110 1HG LYS 13 1HG LYS 13 -16.018 -17.229 -5.065 111 2HG LYS 13 2HG LYS 13 -15.789 -15.559 -4.586 112 1HD LYS 13 1HD LYS 13 -13.820 -15.403 -6.150 113 2HD LYS 13 2HD LYS 13 -14.111 -17.055 -6.655 114 1HE LYS 13 1HE LYS 13 -16.501 -15.273 -6.795 115 2HE LYS 13 2HE LYS 13 -15.199 -14.837 -7.884 116 1HZ LYS 13 2HZ LYS 13 -16.293 -17.554 -7.681 117 2HZ LYS 13 3HZ LYS 13 -16.778 -16.460 -8.792 118 3HZ LYS 13 1HZ LYS 13 -15.238 -17.005 -8.799 119 HA PRO 14 HA PRO 14 -16.498 -16.551 0.680 120 1HB PRO 14 1HB PRO 14 -19.039 -15.618 0.300 121 2HB PRO 14 2HB PRO 14 -17.745 -14.635 0.957 122 1HG PRO 14 1HG PRO 14 -18.935 -14.565 -1.748 123 2HG PRO 14 2HG PRO 14 -17.966 -13.347 -0.942 124 1HD PRO 14 1HD PRO 14 -17.094 -15.151 -2.993 125 2HD PRO 14 2HD PRO 14 -16.099 -14.014 -2.107 126 H TRP 15 H TRP 15 -17.536 -18.343 1.486 127 HA TRP 15 HA TRP 15 -17.830 -20.460 -0.196 128 1HB TRP 15 1HB TRP 15 -18.470 -19.820 2.543 129 2HB TRP 15 2HB TRP 15 -19.721 -20.834 1.852 130 HD1 TRP 15 HD TRP 15 -17.075 -21.550 3.954 131 HE1 TRP 15 1HE TRP 15 -15.762 -23.801 3.544 132 HE3 TRP 15 3HE TRP 15 -18.658 -22.215 -0.832 133 HZ2 TRP 15 2HZ TRP 15 -15.537 -25.569 1.316 134 HZ3 TRP 15 3HZ TRP 15 -17.845 -24.230 -2.054 135 HH2 TRP 15 HH TRP 15 -16.337 -25.876 -1.056 136 H ASP 16 H ASP 16 -20.096 -17.803 0.566 137 HA ASP 16 HA ASP 16 -21.471 -18.039 -1.768 138 1HB ASP 16 1HB ASP 16 -22.324 -19.997 0.196 139 2HB ASP 16 2HB ASP 16 -23.619 -18.839 -0.033 140 H ASP 17 H ASP 17 -23.969 -17.009 -1.227 141 HA ASP 17 HA ASP 17 -23.459 -14.482 -0.339 142 1HB ASP 17 1HB ASP 17 -25.691 -14.090 -0.802 143 2HB ASP 17 2HB ASP 17 -25.525 -15.640 -1.602 144 H GLU 18 H GLU 18 -23.957 -17.446 1.424 145 HA GLU 18 HA GLU 18 -25.122 -16.327 3.729 146 1HB GLU 18 1HB GLU 18 -24.384 -18.546 4.767 147 2HB GLU 18 2HB GLU 18 -25.439 -18.668 3.375 148 1HG GLU 18 1HG GLU 18 -23.671 -19.331 1.926 149 2HG GLU 18 2HG GLU 18 -22.430 -18.698 2.989 150 H THR 19 H THR 19 -21.805 -16.777 2.519 151 HA THR 19 HA THR 19 -20.478 -16.423 4.981 152 HB THR 19 HB THR 19 -19.806 -16.267 2.027 153 HG1 THR 19 1HG THR 19 -19.922 -18.288 3.284 154 1HG2 THR 19 2HG2 THR 19 -17.907 -15.655 4.355 155 2HG2 THR 19 3HG2 THR 19 -17.415 -15.931 2.666 156 3HG2 THR 19 1HG2 THR 19 -18.384 -14.498 3.089 157 H ASP 20 H ASP 20 -20.859 -14.740 6.300 158 HA ASP 20 HA ASP 20 -21.854 -12.343 5.582 159 1HB ASP 20 1HB ASP 20 -20.714 -13.530 7.901 160 2HB ASP 20 2HB ASP 20 -19.839 -12.026 7.688 161 H MET 21 H MET 21 -21.010 -10.916 4.050 162 HA MET 21 HA MET 21 -18.267 -10.967 3.402 163 1HB MET 21 1HB MET 21 -20.444 -8.922 2.691 164 2HB MET 21 2HB MET 21 -18.922 -9.114 1.844 165 1HG MET 21 1HG MET 21 -21.006 -11.335 2.098 166 2HG MET 21 2HG MET 21 -20.900 -10.256 0.722 167 1HE MET 21 1HE MET 21 -18.863 -9.930 -0.714 168 2HE MET 21 2HE MET 21 -18.008 -11.374 -1.305 169 3HE MET 21 3HE MET 21 -19.782 -11.286 -1.410 170 H ALA 22 H ALA 22 -20.313 -9.062 5.580 171 HA ALA 22 HA ALA 22 -18.564 -6.854 5.821 172 1HB ALA 22 2HB ALA 22 -20.868 -7.985 7.428 173 2HB ALA 22 3HB ALA 22 -19.950 -6.567 7.991 174 3HB ALA 22 1HB ALA 22 -20.817 -6.507 6.438 175 H LYS 23 H LYS 23 -18.918 -10.020 7.480 176 HA LYS 23 HA LYS 23 -17.013 -9.377 9.494 177 1HB LYS 23 1HB LYS 23 -18.980 -11.184 9.346 178 2HB LYS 23 2HB LYS 23 -17.668 -12.205 8.792 179 1HG LYS 23 1HG LYS 23 -17.003 -12.471 10.940 180 2HG LYS 23 2HG LYS 23 -16.619 -10.763 11.013 181 1HD LYS 23 1HD LYS 23 -19.235 -10.481 11.417 182 2HD LYS 23 2HD LYS 23 -19.159 -12.171 11.875 183 1HE LYS 23 1HE LYS 23 -17.057 -10.400 13.072 184 2HE LYS 23 2HE LYS 23 -18.697 -10.115 13.620 185 1HZ LYS 23 3HZ LYS 23 -18.477 -12.799 13.656 186 2HZ LYS 23 1HZ LYS 23 -16.995 -12.321 14.148 187 3HZ LYS 23 2HZ LYS 23 -18.324 -11.820 14.955 188 H LEU 24 H LEU 24 -16.966 -11.325 6.439 189 HA LEU 24 HA LEU 24 -14.313 -12.112 6.633 190 1HB LEU 24 1HB LEU 24 -16.421 -12.504 4.913 191 2HB LEU 24 2HB LEU 24 -15.297 -11.595 3.922 192 HG LEU 24 HG LEU 24 -14.598 -14.143 5.406 193 1HD1 LEU 24 1HD1 LEU 24 -16.204 -13.880 3.129 194 2HD1 LEU 24 2HD1 LEU 24 -14.601 -14.356 2.519 195 3HD1 LEU 24 3HD1 LEU 24 -15.422 -15.357 3.740 196 1HD2 LEU 24 3HD2 LEU 24 -13.068 -12.560 3.323 197 2HD2 LEU 24 1HD2 LEU 24 -12.663 -12.719 5.048 198 3HD2 LEU 24 2HD2 LEU 24 -12.589 -14.143 3.982 199 H GLU 25 H GLU 25 -15.824 -9.107 5.372 200 HA GLU 25 HA GLU 25 -13.444 -8.119 4.284 201 1HB GLU 25 1HB GLU 25 -15.718 -7.336 3.634 202 2HB GLU 25 2HB GLU 25 -15.935 -6.628 5.222 203 1HG GLU 25 1HG GLU 25 -13.643 -5.381 4.646 204 2HG GLU 25 2HG GLU 25 -14.089 -5.751 2.993 205 H GLU 26 H GLU 26 -15.273 -7.085 7.263 206 HA GLU 26 HA GLU 26 -13.320 -5.438 8.224 207 1HB GLU 26 1HB GLU 26 -15.396 -7.099 9.714 208 2HB GLU 26 2HB GLU 26 -14.433 -5.851 10.479 209 1HG GLU 26 1HG GLU 26 -16.035 -5.242 7.970 210 2HG GLU 26 2HG GLU 26 -16.804 -5.220 9.544 211 H CYS 27 H CYS 27 -13.911 -8.939 8.996 212 HA CYS 27 HA CYS 27 -12.022 -9.375 10.844 213 1HB CYS 27 1HB CYS 27 -13.526 -11.122 10.084 214 2HB CYS 27 2HB CYS 27 -12.760 -11.166 8.509 215 HG CYS 27 HG CYS 27 -12.192 -12.882 10.935 216 H VAL 28 H VAL 28 -11.518 -9.618 7.240 217 HA VAL 28 HA VAL 28 -8.835 -10.077 7.232 218 HB VAL 28 HB VAL 28 -10.794 -8.793 5.405 219 1HG1 VAL 28 2HG1 VAL 28 -8.845 -7.294 5.212 220 2HG1 VAL 28 3HG1 VAL 28 -7.804 -8.698 4.876 221 3HG1 VAL 28 1HG1 VAL 28 -9.093 -8.251 3.732 222 1HG2 VAL 28 2HG2 VAL 28 -9.867 -11.343 5.763 223 2HG2 VAL 28 3HG2 VAL 28 -10.628 -10.736 4.272 224 3HG2 VAL 28 1HG2 VAL 28 -8.854 -10.783 4.412 225 H ARG 29 H ARG 29 -10.538 -6.882 7.384 226 HA ARG 29 HA ARG 29 -8.194 -5.405 7.389 227 1HB ARG 29 1HB ARG 29 -10.863 -4.811 7.231 228 2HB ARG 29 2HB ARG 29 -10.566 -4.340 8.893 229 1HG ARG 29 1HG ARG 29 -8.386 -3.345 7.270 230 2HG ARG 29 2HG ARG 29 -9.893 -2.903 6.492 231 1HD ARG 29 1HD ARG 29 -10.517 -2.295 9.094 232 2HD ARG 29 2HD ARG 29 -8.788 -2.018 9.131 233 HE ARG 29 HE ARG 29 -9.817 -0.779 6.775 234 1HH1 ARG 29 2HH2 ARG 29 -9.972 -0.414 10.273 235 2HH1 ARG 29 1HH2 ARG 29 -10.249 1.295 10.210 236 1HH2 ARG 29 2HH1 ARG 29 -10.182 1.476 6.693 237 2HH2 ARG 29 1HH1 ARG 29 -10.369 2.377 8.160 238 H SER 30 H SER 30 -9.944 -7.190 9.892 239 HA SER 30 HA SER 30 -8.929 -5.812 12.093 240 1HB SER 30 1HB SER 30 -10.052 -7.393 13.350 241 2HB SER 30 2HB SER 30 -10.859 -7.638 11.815 242 HG SER 30 HG SER 30 -10.202 -9.667 12.678 243 H ILE 31 H ILE 31 -7.369 -7.693 9.735 244 HA ILE 31 HA ILE 31 -5.515 -9.051 11.416 245 HB ILE 31 HB ILE 31 -5.405 -8.416 8.465 246 1HG1 ILE 31 1HG1 ILE 31 -7.452 -9.658 9.189 247 2HG1 ILE 31 2HG1 ILE 31 -6.432 -10.528 8.060 248 1HG2 ILE 31 2HG2 ILE 31 -3.585 -9.814 10.290 249 2HG2 ILE 31 3HG2 ILE 31 -4.059 -10.778 8.871 250 3HG2 ILE 31 1HG2 ILE 31 -3.312 -9.177 8.651 251 1HD1 ILE 31 3HD1 ILE 31 -5.317 -11.475 10.307 252 2HD1 ILE 31 1HD1 ILE 31 -6.906 -11.047 10.987 253 3HD1 ILE 31 2HD1 ILE 31 -6.799 -12.199 9.635 254 H GLN 32 H GLN 32 -3.646 -8.322 12.314 255 HA GLN 32 HA GLN 32 -2.832 -5.649 11.477 256 1HB GLN 32 1HB GLN 32 -3.583 -6.564 14.038 257 2HB GLN 32 2HB GLN 32 -1.834 -6.473 14.108 258 1HG GLN 32 1HG GLN 32 -2.714 -4.120 12.729 259 2HG GLN 32 2HG GLN 32 -3.769 -4.305 14.117 260 1HE2 GLN 32 2HE2 GLN 32 -1.063 -2.300 15.423 261 2HE2 GLN 32 1HE2 GLN 32 -2.470 -2.197 14.418 262 H ALA 33 H ALA 33 -0.504 -5.201 11.420 263 HA ALA 33 HA ALA 33 1.401 -7.203 11.921 264 1HB ALA 33 3HB ALA 33 0.310 -6.968 9.111 265 2HB ALA 33 1HB ALA 33 2.003 -7.442 9.392 266 3HB ALA 33 2HB ALA 33 0.679 -8.432 10.055 267 H ASP 34 H ASP 34 3.544 -6.368 11.666 268 HA ASP 34 HA ASP 34 3.678 -3.613 11.878 269 1HB ASP 34 1HB ASP 34 5.368 -5.761 12.350 270 2HB ASP 34 2HB ASP 34 6.146 -5.013 10.970 271 H GLY 35 H GLY 35 4.695 -2.044 10.367 272 1HA GLY 35 1HA GLY 35 4.987 -1.096 8.352 273 2HA GLY 35 2HA GLY 35 5.670 -2.626 7.837 274 H LEU 36 H LEU 36 2.403 -2.814 9.060 275 HA LEU 36 HA LEU 36 1.469 -3.150 6.305 276 1HB LEU 36 1HB LEU 36 1.373 -5.022 8.036 277 2HB LEU 36 2HB LEU 36 0.110 -4.095 8.821 278 HG LEU 36 HG LEU 36 -0.599 -4.279 6.074 279 1HD1 LEU 36 3HD1 LEU 36 1.088 -6.215 6.164 280 2HD1 LEU 36 1HD1 LEU 36 -0.124 -7.047 7.168 281 3HD1 LEU 36 2HD1 LEU 36 -0.534 -6.545 5.510 282 1HD2 LEU 36 1HD2 LEU 36 -1.871 -4.320 8.446 283 2HD2 LEU 36 2HD2 LEU 36 -2.614 -4.853 6.919 284 3HD2 LEU 36 3HD2 LEU 36 -1.931 -6.053 8.042 285 H VAL 37 H VAL 37 -0.246 -1.955 5.490 286 HA VAL 37 HA VAL 37 -1.541 -0.100 7.337 287 HB VAL 37 HB VAL 37 -0.033 0.620 4.823 288 1HG1 VAL 37 3HG1 VAL 37 -2.334 1.645 4.876 289 2HG1 VAL 37 1HG1 VAL 37 -1.868 2.460 6.388 290 3HG1 VAL 37 2HG1 VAL 37 -0.992 2.816 4.879 291 1HG2 VAL 37 3HG2 VAL 37 0.279 1.162 7.746 292 2HG2 VAL 37 1HG2 VAL 37 1.510 0.856 6.498 293 3HG2 VAL 37 2HG2 VAL 37 0.730 2.451 6.605 294 H TRP 38 H TRP 38 -3.536 -1.104 7.224 295 HA TRP 38 HA TRP 38 -4.560 -2.219 4.857 296 1HB TRP 38 1HB TRP 38 -5.642 -1.527 7.555 297 2HB TRP 38 2HB TRP 38 -6.772 -1.886 6.264 298 HD1 TRP 38 HD TRP 38 -5.311 -3.684 8.977 299 HE1 TRP 38 1HE TRP 38 -5.031 -6.282 8.609 300 HE3 TRP 38 3HE TRP 38 -5.836 -3.555 3.921 301 HZ2 TRP 38 2HZ TRP 38 -5.059 -7.954 6.296 302 HZ3 TRP 38 3HZ TRP 38 -5.697 -5.715 2.684 303 HH2 TRP 38 HH TRP 38 -5.323 -7.862 3.790 304 H GLY 39 H GLY 39 -4.723 -0.904 3.056 305 1HA GLY 39 1HA GLY 39 -5.320 1.868 3.201 306 2HA GLY 39 2HA GLY 39 -5.269 0.862 1.767 307 H SER 40 H SER 40 -7.209 -0.792 1.595 308 HA SER 40 HA SER 40 -9.550 -0.395 2.915 309 1HB SER 40 1HB SER 40 -9.073 1.908 1.471 310 2HB SER 40 2HB SER 40 -10.028 0.989 0.324 311 HG SER 40 HG SER 40 -11.467 2.182 1.610 312 H SER 41 H SER 41 -11.258 -1.744 2.009 313 HA SER 41 HA SER 41 -10.206 -3.486 -0.053 314 1HB SER 41 1HB SER 41 -12.030 -5.043 0.699 315 2HB SER 41 2HB SER 41 -10.903 -4.625 1.974 316 HG SER 41 HG SER 41 -12.452 -3.596 3.067 317 H LYS 42 H LYS 42 -11.766 -4.288 -1.764 318 HA LYS 42 HA LYS 42 -13.804 -2.255 -2.351 319 1HB LYS 42 1HB LYS 42 -12.154 -3.615 -4.483 320 2HB LYS 42 2HB LYS 42 -13.182 -2.204 -4.630 321 1HG LYS 42 1HG LYS 42 -11.239 -1.652 -2.570 322 2HG LYS 42 2HG LYS 42 -10.378 -2.313 -3.947 323 1HD LYS 42 1HD LYS 42 -12.389 -0.021 -4.137 324 2HD LYS 42 2HD LYS 42 -10.657 0.208 -4.006 325 1HE LYS 42 1HE LYS 42 -11.124 -1.702 -6.117 326 2HE LYS 42 2HE LYS 42 -12.215 -0.355 -6.374 327 1HZ LYS 42 2HZ LYS 42 -10.104 1.014 -5.879 328 2HZ LYS 42 3HZ LYS 42 -9.310 -0.350 -6.299 329 3HZ LYS 42 1HZ LYS 42 -10.319 0.370 -7.363 330 H LEU 43 H LEU 43 -15.562 -3.084 -3.811 331 HA LEU 43 HA LEU 43 -15.941 -5.964 -3.360 332 1HB LEU 43 1HB LEU 43 -17.646 -3.643 -2.737 333 2HB LEU 43 2HB LEU 43 -18.468 -4.963 -3.546 334 HG LEU 43 HG LEU 43 -18.754 -5.282 -1.214 335 1HD1 LEU 43 2HD1 LEU 43 -17.451 -7.185 -2.831 336 2HD1 LEU 43 3HD1 LEU 43 -16.691 -7.291 -1.226 337 3HD1 LEU 43 1HD1 LEU 43 -18.454 -7.472 -1.389 338 1HD2 LEU 43 1HD2 LEU 43 -16.462 -3.883 -0.854 339 2HD2 LEU 43 2HD2 LEU 43 -17.273 -4.827 0.418 340 3HD2 LEU 43 3HD2 LEU 43 -15.904 -5.530 -0.476 341 H VAL 44 H VAL 44 -17.236 -7.077 -5.015 342 HA VAL 44 HA VAL 44 -17.697 -5.651 -7.472 343 HB VAL 44 HB VAL 44 -15.602 -7.824 -7.274 344 1HG1 VAL 44 1HG1 VAL 44 -17.242 -7.822 -9.300 345 2HG1 VAL 44 2HG1 VAL 44 -16.335 -6.380 -9.816 346 3HG1 VAL 44 3HG1 VAL 44 -15.491 -7.932 -9.598 347 1HG2 VAL 44 2HG2 VAL 44 -15.449 -4.873 -7.954 348 2HG2 VAL 44 3HG2 VAL 44 -14.647 -5.734 -6.618 349 3HG2 VAL 44 1HG2 VAL 44 -14.143 -6.031 -8.299 350 HA PRO 45 HA PRO 45 -20.721 -8.818 -6.849 351 1HB PRO 45 1HB PRO 45 -22.772 -7.534 -8.121 352 2HB PRO 45 2HB PRO 45 -22.432 -7.342 -6.412 353 1HG PRO 45 1HG PRO 45 -21.890 -5.466 -8.631 354 2HG PRO 45 2HG PRO 45 -21.958 -5.141 -6.910 355 1HD PRO 45 1HD PRO 45 -19.595 -5.389 -8.519 356 2HD PRO 45 2HD PRO 45 -19.663 -5.179 -6.780 357 H VAL 46 H VAL 46 -21.231 -10.622 -7.987 358 HA VAL 46 HA VAL 46 -20.201 -10.585 -10.683 359 HB VAL 46 HB VAL 46 -21.211 -12.690 -8.783 360 1HG1 VAL 46 2HG1 VAL 46 -21.301 -12.800 -11.666 361 2HG1 VAL 46 3HG1 VAL 46 -20.115 -13.976 -11.050 362 3HG1 VAL 46 1HG1 VAL 46 -21.799 -14.023 -10.472 363 1HG2 VAL 46 3HG2 VAL 46 -18.864 -11.708 -8.632 364 2HG2 VAL 46 1HG2 VAL 46 -18.973 -13.479 -8.777 365 3HG2 VAL 46 2HG2 VAL 46 -18.539 -12.496 -10.196 366 H GLY 47 H GLY 47 -23.135 -12.331 -9.555 367 1HA GLY 47 1HA GLY 47 -24.807 -10.695 -11.320 368 2HA GLY 47 2HA GLY 47 -24.649 -12.401 -11.688 369 H TYR 48 H TYR 48 -24.542 -13.569 -9.117 370 HA TYR 48 HA TYR 48 -27.308 -13.411 -8.407 371 1HB TYR 48 1HB TYR 48 -25.155 -15.235 -8.337 372 2HB TYR 48 2HB TYR 48 -25.300 -14.785 -6.649 373 HD1 TYR 48 2HD TYR 48 -27.410 -15.948 -9.523 374 HD2 TYR 48 1HD TYR 48 -26.804 -15.937 -5.287 375 HE1 TYR 48 2HE TYR 48 -29.318 -17.604 -9.239 376 HE2 TYR 48 1HE TYR 48 -28.715 -17.591 -5.018 377 HH TYR 48 HH TYR 48 -30.896 -18.088 -6.556 378 H GLY 49 H GLY 49 -26.968 -13.986 -5.557 379 1HA GLY 49 1HA GLY 49 -26.827 -11.241 -4.623 380 2HA GLY 49 2HA GLY 49 -27.370 -12.651 -3.737 381 H ILE 50 H ILE 50 -24.390 -13.173 -5.439 382 HA ILE 50 HA ILE 50 -22.963 -12.934 -2.892 383 HB ILE 50 HB ILE 50 -22.606 -14.669 -5.320 384 1HG1 ILE 50 1HG1 ILE 50 -22.399 -16.317 -3.229 385 2HG1 ILE 50 2HG1 ILE 50 -23.329 -15.056 -2.446 386 1HG2 ILE 50 1HG2 ILE 50 -20.582 -14.176 -3.120 387 2HG2 ILE 50 2HG2 ILE 50 -20.509 -15.504 -4.303 388 3HG2 ILE 50 3HG2 ILE 50 -20.396 -13.814 -4.852 389 1HD1 ILE 50 1HD1 ILE 50 -24.100 -16.375 -5.090 390 2HD1 ILE 50 2HD1 ILE 50 -24.779 -16.803 -3.501 391 3HD1 ILE 50 3HD1 ILE 50 -25.067 -15.185 -4.186 392 H LYS 51 H LYS 51 -20.675 -12.163 -2.999 393 HA LYS 51 HA LYS 51 -20.183 -10.418 -5.286 394 1HB LYS 51 1HB LYS 51 -20.309 -9.534 -2.394 395 2HB LYS 51 2HB LYS 51 -19.473 -8.620 -3.632 396 1HG LYS 51 1HG LYS 51 -21.429 -7.955 -4.669 397 2HG LYS 51 2HG LYS 51 -22.245 -9.473 -4.349 398 1HD LYS 51 1HD LYS 51 -23.314 -8.531 -2.589 399 2HD LYS 51 2HD LYS 51 -21.774 -8.254 -1.799 400 1HE LYS 51 1HE LYS 51 -21.556 -6.128 -3.254 401 2HE LYS 51 2HE LYS 51 -23.232 -6.373 -3.707 402 1HZ LYS 51 3HZ LYS 51 -22.721 -6.505 -0.890 403 2HZ LYS 51 1HZ LYS 51 -22.456 -5.039 -1.557 404 3HZ LYS 51 2HZ LYS 51 -23.921 -5.746 -1.698 405 H LYS 52 H LYS 52 -17.831 -9.521 -5.112 406 HA LYS 52 HA LYS 52 -16.180 -11.822 -4.507 407 1HB LYS 52 1HB LYS 52 -16.202 -9.811 -6.500 408 2HB LYS 52 2HB LYS 52 -14.741 -9.557 -5.567 409 1HG LYS 52 1HG LYS 52 -14.224 -12.033 -5.807 410 2HG LYS 52 2HG LYS 52 -15.619 -12.182 -6.858 411 1HD LYS 52 1HD LYS 52 -14.111 -9.960 -7.846 412 2HD LYS 52 2HD LYS 52 -12.948 -11.225 -7.502 413 1HE LYS 52 1HE LYS 52 -14.360 -12.843 -8.832 414 2HE LYS 52 2HE LYS 52 -15.453 -11.531 -9.226 415 1HZ LYS 52 2HZ LYS 52 -12.669 -11.035 -9.757 416 2HZ LYS 52 3HZ LYS 52 -13.374 -12.169 -10.698 417 3HZ LYS 52 1HZ LYS 52 -13.984 -10.654 -10.647 418 H LEU 53 H LEU 53 -14.439 -11.829 -3.035 419 HA LEU 53 HA LEU 53 -14.663 -9.721 -1.020 420 1HB LEU 53 1HB LEU 53 -14.619 -12.507 -0.861 421 2HB LEU 53 2HB LEU 53 -13.027 -12.012 -0.319 422 HG LEU 53 HG LEU 53 -14.783 -12.294 1.473 423 1HD1 LEU 53 1HD1 LEU 53 -12.706 -11.084 1.879 424 2HD1 LEU 53 2HD1 LEU 53 -13.438 -9.586 1.257 425 3HD1 LEU 53 3HD1 LEU 53 -14.062 -10.327 2.750 426 1HD2 LEU 53 1HD2 LEU 53 -16.430 -10.896 -0.143 427 2HD2 LEU 53 2HD2 LEU 53 -16.648 -11.033 1.618 428 3HD2 LEU 53 3HD2 LEU 53 -15.864 -9.592 0.927 429 H GLN 54 H GLN 54 -13.485 -8.227 -2.498 430 HA GLN 54 HA GLN 54 -10.689 -8.933 -2.781 431 1HB GLN 54 1HB GLN 54 -11.576 -8.114 -4.827 432 2HB GLN 54 2HB GLN 54 -12.476 -6.834 -4.039 433 1HG GLN 54 1HG GLN 54 -10.650 -5.428 -3.915 434 2HG GLN 54 2HG GLN 54 -9.527 -6.735 -3.601 435 1HE2 GLN 54 2HE2 GLN 54 -9.091 -7.647 -7.063 436 2HE2 GLN 54 1HE2 GLN 54 -9.318 -8.332 -5.489 437 H ILE 55 H ILE 55 -8.992 -7.665 -1.871 438 HA ILE 55 HA ILE 55 -9.744 -5.393 -0.243 439 HB ILE 55 HB ILE 55 -9.485 -6.281 1.767 440 1HG1 ILE 55 1HG1 ILE 55 -7.031 -6.441 1.398 441 2HG1 ILE 55 2HG1 ILE 55 -7.664 -7.659 2.487 442 1HG2 ILE 55 2HG2 ILE 55 -11.024 -7.882 0.770 443 2HG2 ILE 55 3HG2 ILE 55 -9.659 -8.897 0.247 444 3HG2 ILE 55 1HG2 ILE 55 -9.988 -8.675 1.982 445 1HD1 ILE 55 2HD1 ILE 55 -7.609 -8.435 -0.398 446 2HD1 ILE 55 3HD1 ILE 55 -6.023 -8.232 0.385 447 3HD1 ILE 55 1HD1 ILE 55 -7.202 -9.392 1.046 448 H GLN 56 H GLN 56 -7.890 -4.066 0.332 449 HA GLN 56 HA GLN 56 -5.478 -4.848 -1.094 450 1HB GLN 56 1HB GLN 56 -6.687 -3.268 -2.539 451 2HB GLN 56 2HB GLN 56 -6.850 -2.128 -1.219 452 1HG GLN 56 1HG GLN 56 -4.089 -2.637 -1.290 453 2HG GLN 56 2HG GLN 56 -4.537 -2.633 -2.983 454 1HE2 GLN 56 2HE2 GLN 56 -3.675 0.820 -1.684 455 2HE2 GLN 56 1HE2 GLN 56 -2.923 -0.735 -1.560 456 H CYS 57 H CYS 57 -3.523 -4.264 -0.072 457 HA CYS 57 HA CYS 57 -3.839 -2.762 2.420 458 1HB CYS 57 1HB CYS 57 -3.518 -5.422 2.513 459 2HB CYS 57 2HB CYS 57 -1.832 -4.976 2.341 460 HG CYS 57 HG CYS 57 -2.769 -2.817 4.211 461 H VAL 58 H VAL 58 -1.133 -2.649 3.148 462 HA VAL 58 HA VAL 58 0.425 -1.959 0.826 463 HB VAL 58 HB VAL 58 -0.392 0.153 2.832 464 1HG1 VAL 58 1HG1 VAL 58 1.806 -0.037 0.879 465 2HG1 VAL 58 2HG1 VAL 58 0.835 1.449 0.745 466 3HG1 VAL 58 3HG1 VAL 58 1.611 1.028 2.292 467 1HG2 VAL 58 1HG2 VAL 58 -1.146 -0.256 -0.078 468 2HG2 VAL 58 2HG2 VAL 58 -2.227 -0.225 1.335 469 3HG2 VAL 58 3HG2 VAL 58 -1.404 1.264 0.812 470 H VAL 59 H VAL 59 1.454 -3.892 1.897 471 HA VAL 59 HA VAL 59 2.776 -3.253 4.406 472 HB VAL 59 HB VAL 59 3.076 -5.500 4.673 473 1HG1 VAL 59 2HG1 VAL 59 0.623 -4.877 4.349 474 2HG1 VAL 59 3HG1 VAL 59 0.748 -5.634 2.743 475 3HG1 VAL 59 1HG1 VAL 59 1.031 -6.605 4.208 476 1HG2 VAL 59 1HG2 VAL 59 3.451 -5.528 1.724 477 2HG2 VAL 59 2HG2 VAL 59 4.364 -6.355 3.008 478 3HG2 VAL 59 3HG2 VAL 59 2.805 -7.015 2.457 479 H GLU 60 H GLU 60 5.199 -4.183 4.433 480 HA GLU 60 HA GLU 60 6.531 -2.572 2.490 481 1HB GLU 60 1HB GLU 60 7.151 -3.785 5.103 482 2HB GLU 60 2HB GLU 60 8.490 -3.910 3.980 483 1HG GLU 60 1HG GLU 60 8.978 -1.775 4.635 484 2HG GLU 60 2HG GLU 60 7.700 -1.307 3.533 485 H ASP 61 H ASP 61 8.744 -3.608 1.596 486 HA ASP 61 HA ASP 61 7.855 -5.846 0.057 487 1HB ASP 61 1HB ASP 61 9.695 -5.381 -1.362 488 2HB ASP 61 2HB ASP 61 9.211 -3.799 -0.781 489 H ASP 62 H ASP 62 8.881 -5.677 3.122 490 HA ASP 62 HA ASP 62 10.229 -8.206 2.946 491 1HB ASP 62 1HB ASP 62 11.809 -5.963 3.127 492 2HB ASP 62 2HB ASP 62 11.513 -6.264 4.828 493 H LYS 63 H LYS 63 7.613 -6.969 3.891 494 HA LYS 63 HA LYS 63 7.866 -7.554 6.759 495 1HB LYS 63 1HB LYS 63 6.369 -5.480 5.248 496 2HB LYS 63 2HB LYS 63 5.510 -6.229 6.577 497 1HG LYS 63 1HG LYS 63 6.734 -4.266 7.402 498 2HG LYS 63 2HG LYS 63 7.418 -5.716 8.109 499 1HD LYS 63 1HD LYS 63 8.806 -5.283 5.639 500 2HD LYS 63 2HD LYS 63 8.716 -3.726 6.439 501 1HE LYS 63 1HE LYS 63 9.528 -4.944 8.582 502 2HE LYS 63 2HE LYS 63 9.890 -6.312 7.547 503 1HZ LYS 63 1HZ LYS 63 10.893 -3.663 6.850 504 2HZ LYS 63 2HZ LYS 63 11.676 -4.565 7.963 505 3HZ LYS 63 3HZ LYS 63 11.492 -5.126 6.440 506 H VAL 64 H VAL 64 4.875 -7.331 4.810 507 HA VAL 64 HA VAL 64 4.464 -10.182 5.382 508 HB VAL 64 HB VAL 64 2.401 -8.033 4.870 509 1HG1 VAL 64 1HG1 VAL 64 2.068 -10.696 4.604 510 2HG1 VAL 64 2HG1 VAL 64 1.757 -10.532 6.349 511 3HG1 VAL 64 3HG1 VAL 64 0.788 -9.603 5.180 512 1HG2 VAL 64 2HG2 VAL 64 3.411 -9.148 7.508 513 2HG2 VAL 64 3HG2 VAL 64 3.597 -7.482 6.912 514 3HG2 VAL 64 1HG2 VAL 64 1.980 -8.107 7.316 515 H GLY 65 H GLY 65 3.582 -11.531 3.717 516 1HA GLY 65 1HA GLY 65 4.018 -10.424 1.011 517 2HA GLY 65 2HA GLY 65 4.288 -12.090 1.484 518 H THR 66 H THR 66 2.401 -13.451 2.078 519 HA THR 66 HA THR 66 -0.237 -12.522 1.765 520 HB THR 66 HB THR 66 1.224 -13.563 -0.671 521 HG1 THR 66 1HG THR 66 -0.514 -11.959 -1.451 522 1HG2 THR 66 2HG2 THR 66 -1.618 -14.214 0.161 523 2HG2 THR 66 3HG2 THR 66 -1.287 -13.819 -1.542 524 3HG2 THR 66 1HG2 THR 66 -0.474 -15.204 -0.775 525 H ASP 67 H ASP 67 2.099 -15.239 1.549 526 HA ASP 67 HA ASP 67 0.500 -17.335 1.897 527 1HB ASP 67 1HB ASP 67 2.397 -18.245 3.431 528 2HB ASP 67 2HB ASP 67 2.818 -17.781 1.795 529 H MET 68 H MET 68 1.950 -15.325 4.579 530 HA MET 68 HA MET 68 0.646 -16.580 6.640 531 1HB MET 68 1HB MET 68 2.524 -14.634 6.445 532 2HB MET 68 2HB MET 68 1.145 -13.590 6.724 533 1HG MET 68 1HG MET 68 2.054 -15.881 8.534 534 2HG MET 68 2HG MET 68 2.232 -14.170 8.871 535 1HE MET 68 2HE MET 68 0.420 -12.574 8.672 536 2HE MET 68 3HE MET 68 -1.058 -13.116 7.840 537 3HE MET 68 1HE MET 68 -1.088 -12.796 9.592 538 H LEU 69 H LEU 69 -0.235 -13.410 5.074 539 HA LEU 69 HA LEU 69 -2.581 -12.992 6.418 540 1HB LEU 69 1HB LEU 69 -1.695 -12.264 3.635 541 2HB LEU 69 2HB LEU 69 -3.231 -11.736 4.292 542 HG LEU 69 HG LEU 69 -0.514 -11.117 5.485 543 1HD1 LEU 69 2HD1 LEU 69 -2.379 -9.461 3.773 544 2HD1 LEU 69 3HD1 LEU 69 -1.051 -8.774 4.739 545 3HD1 LEU 69 1HD1 LEU 69 -0.696 -9.929 3.433 546 1HD2 LEU 69 2HD2 LEU 69 -3.309 -10.609 6.397 547 2HD2 LEU 69 3HD2 LEU 69 -1.839 -10.969 7.334 548 3HD2 LEU 69 1HD2 LEU 69 -2.091 -9.339 6.664 549 H GLU 70 H GLU 70 -1.849 -15.259 3.780 550 HA GLU 70 HA GLU 70 -4.555 -15.753 3.170 551 1HB GLU 70 1HB GLU 70 -2.834 -16.195 1.510 552 2HB GLU 70 2HB GLU 70 -1.988 -17.287 2.589 553 1HG GLU 70 1HG GLU 70 -4.254 -18.638 2.617 554 2HG GLU 70 2HG GLU 70 -4.643 -17.715 1.179 555 H GLU 71 H GLU 71 -2.018 -17.679 4.935 556 HA GLU 71 HA GLU 71 -3.706 -19.697 5.712 557 1HB GLU 71 1HB GLU 71 -1.044 -18.661 6.538 558 2HB GLU 71 2HB GLU 71 -1.872 -19.591 7.771 559 1HG GLU 71 1HG GLU 71 -2.007 -20.801 5.056 560 2HG GLU 71 2HG GLU 71 -0.380 -20.672 5.696 561 H GLN 72 H GLN 72 -3.642 -16.388 6.695 562 HA GLN 72 HA GLN 72 -4.938 -17.030 9.209 563 1HB GLN 72 1HB GLN 72 -3.104 -15.393 9.310 564 2HB GLN 72 2HB GLN 72 -3.881 -14.395 8.097 565 1HG GLN 72 1HG GLN 72 -5.146 -13.372 9.676 566 2HG GLN 72 2HG GLN 72 -5.792 -14.911 10.211 567 1HE2 GLN 72 2HE2 GLN 72 -4.307 -13.772 13.252 568 2HE2 GLN 72 1HE2 GLN 72 -5.730 -13.674 12.267 569 H ILE 73 H ILE 73 -5.405 -15.268 6.097 570 HA ILE 73 HA ILE 73 -8.054 -14.457 6.785 571 HB ILE 73 HB ILE 73 -6.450 -14.416 4.233 572 1HG1 ILE 73 1HG1 ILE 73 -7.372 -12.069 5.893 573 2HG1 ILE 73 2HG1 ILE 73 -5.884 -12.920 6.258 574 1HG2 ILE 73 1HG2 ILE 73 -9.331 -13.924 4.687 575 2HG2 ILE 73 2HG2 ILE 73 -8.466 -12.671 3.764 576 3HG2 ILE 73 3HG2 ILE 73 -8.452 -14.361 3.203 577 1HD1 ILE 73 2HD1 ILE 73 -5.211 -12.572 3.802 578 2HD1 ILE 73 3HD1 ILE 73 -6.603 -11.468 3.680 579 3HD1 ILE 73 1HD1 ILE 73 -5.274 -11.103 4.807 580 H THR 74 H THR 74 -6.704 -16.787 4.338 581 HA THR 74 HA THR 74 -9.245 -17.936 3.835 582 HB THR 74 HB THR 74 -7.979 -19.362 2.368 583 HG1 THR 74 1HG THR 74 -5.941 -18.689 4.352 584 1HG2 THR 74 2HG2 THR 74 -7.582 -16.717 2.104 585 2HG2 THR 74 3HG2 THR 74 -5.932 -17.148 2.612 586 3HG2 THR 74 1HG2 THR 74 -6.629 -17.875 1.144 587 H ALA 75 H ALA 75 -7.120 -18.171 6.511 588 HA ALA 75 HA ALA 75 -7.177 -20.773 7.259 589 1HB ALA 75 3HB ALA 75 -6.593 -18.297 8.417 590 2HB ALA 75 1HB ALA 75 -7.846 -18.985 9.479 591 3HB ALA 75 2HB ALA 75 -6.349 -19.895 9.162 592 H PHE 76 H PHE 76 -9.881 -18.530 6.947 593 HA PHE 76 HA PHE 76 -11.626 -20.246 8.491 594 1HB PHE 76 1HB PHE 76 -11.527 -17.512 7.306 595 2HB PHE 76 2HB PHE 76 -13.090 -18.269 7.071 596 HD1 PHE 76 1HD PHE 76 -13.786 -19.635 9.406 597 HD2 PHE 76 2HD PHE 76 -11.488 -16.081 9.098 598 HE1 PHE 76 1HE PHE 76 -14.444 -19.007 11.746 599 HE2 PHE 76 2HE PHE 76 -12.144 -15.453 11.439 600 HZ PHE 76 HZ PHE 76 -13.615 -16.924 12.734 601 H GLU 77 H GLU 77 -11.357 -22.179 7.096 602 HA GLU 77 HA GLU 77 -12.127 -22.026 4.396 603 1HB GLU 77 1HB GLU 77 -11.072 -24.002 6.220 604 2HB GLU 77 2HB GLU 77 -12.452 -24.699 5.394 605 1HG GLU 77 1HG GLU 77 -11.411 -23.802 3.198 606 2HG GLU 77 2HG GLU 77 -9.963 -23.477 4.130 607 H ASP 78 H ASP 78 -13.920 -21.655 7.209 608 HA ASP 78 HA ASP 78 -16.213 -23.093 6.218 609 1HB ASP 78 1HB ASP 78 -15.366 -22.814 8.729 610 2HB ASP 78 2HB ASP 78 -16.217 -21.285 8.648 611 H TYR 79 H TYR 79 -14.784 -20.370 5.263 612 HA TYR 79 HA TYR 79 -17.308 -19.003 4.765 613 1HB TYR 79 1HB TYR 79 -14.722 -17.838 5.977 614 2HB TYR 79 2HB TYR 79 -16.047 -16.841 5.410 615 HD1 TYR 79 2HD TYR 79 -15.176 -19.474 7.904 616 HD2 TYR 79 1HD TYR 79 -17.876 -16.336 6.821 617 HE1 TYR 79 2HE TYR 79 -16.274 -19.620 10.192 618 HE2 TYR 79 1HE TYR 79 -18.964 -16.493 9.114 619 HH TYR 79 HH TYR 79 -19.230 -18.000 10.879 620 H VAL 80 H VAL 80 -13.735 -19.192 4.240 621 HA VAL 80 HA VAL 80 -14.007 -17.840 1.704 622 HB VAL 80 HB VAL 80 -11.706 -19.020 3.256 623 1HG1 VAL 80 1HG1 VAL 80 -11.819 -18.050 0.422 624 2HG1 VAL 80 2HG1 VAL 80 -10.378 -17.680 1.398 625 3HG1 VAL 80 3HG1 VAL 80 -10.869 -19.372 1.141 626 1HG2 VAL 80 2HG2 VAL 80 -12.833 -16.287 2.817 627 2HG2 VAL 80 3HG2 VAL 80 -12.118 -17.013 4.277 628 3HG2 VAL 80 1HG2 VAL 80 -11.066 -16.447 2.957 629 H GLN 81 H GLN 81 -14.348 -18.818 -0.229 630 HA GLN 81 HA GLN 81 -14.550 -21.674 -0.202 631 1HB GLN 81 1HB GLN 81 -16.215 -20.071 -1.317 632 2HB GLN 81 2HB GLN 81 -15.004 -19.788 -2.550 633 1HG GLN 81 1HG GLN 81 -15.105 -22.602 -2.319 634 2HG GLN 81 2HG GLN 81 -16.779 -22.102 -2.185 635 1HE2 GLN 81 2HE2 GLN 81 -16.473 -22.536 -5.731 636 2HE2 GLN 81 1HE2 GLN 81 -16.714 -23.397 -4.247 637 H SER 82 H SER 82 -12.497 -19.100 -1.628 638 HA SER 82 HA SER 82 -10.307 -20.745 -1.816 639 1HB SER 82 1HB SER 82 -10.085 -21.139 -4.219 640 2HB SER 82 2HB SER 82 -11.571 -21.870 -3.645 641 HG SER 82 HG SER 82 -12.689 -20.614 -4.965 642 H MET 83 H MET 83 -8.550 -19.358 -1.865 643 HA MET 83 HA MET 83 -9.145 -16.639 -2.712 644 1HB MET 83 1HB MET 83 -8.393 -16.718 -0.413 645 2HB MET 83 2HB MET 83 -7.148 -17.897 -0.775 646 1HG MET 83 1HG MET 83 -5.980 -16.140 -2.199 647 2HG MET 83 2HG MET 83 -7.176 -14.974 -1.669 648 1HE MET 83 3HE MET 83 -4.144 -15.307 -1.647 649 2HE MET 83 1HE MET 83 -3.562 -14.622 -0.110 650 3HE MET 83 2HE MET 83 -3.520 -16.382 -0.373 651 H ASP 84 H ASP 84 -7.470 -15.421 -3.912 652 HA ASP 84 HA ASP 84 -5.450 -17.074 -5.135 653 1HB ASP 84 1HB ASP 84 -7.739 -15.715 -6.575 654 2HB ASP 84 2HB ASP 84 -6.186 -15.828 -7.380 655 H VAL 85 H VAL 85 -4.388 -15.290 -6.970 656 HA VAL 85 HA VAL 85 -3.841 -12.936 -5.308 657 HB VAL 85 HB VAL 85 -2.231 -14.407 -7.395 658 1HG1 VAL 85 1HG1 VAL 85 -1.762 -11.699 -6.134 659 2HG1 VAL 85 2HG1 VAL 85 -0.428 -12.692 -6.770 660 3HG1 VAL 85 3HG1 VAL 85 -1.731 -12.149 -7.856 661 1HG2 VAL 85 3HG2 VAL 85 -2.476 -14.959 -4.754 662 2HG2 VAL 85 1HG2 VAL 85 -0.996 -15.261 -5.697 663 3HG2 VAL 85 2HG2 VAL 85 -1.137 -13.787 -4.707 664 H ALA 86 H ALA 86 -4.568 -10.982 -5.979 665 HA ALA 86 HA ALA 86 -5.885 -10.858 -8.546 666 1HB ALA 86 2HB ALA 86 -6.144 -9.630 -5.979 667 2HB ALA 86 3HB ALA 86 -5.803 -8.341 -7.158 668 3HB ALA 86 1HB ALA 86 -7.189 -9.431 -7.405 669 H ALA 87 H ALA 87 -2.829 -9.965 -7.034 670 HA ALA 87 HA ALA 87 -1.430 -9.555 -9.288 671 1HB ALA 87 2HB ALA 87 -3.292 -7.349 -8.869 672 2HB ALA 87 3HB ALA 87 -1.605 -6.782 -8.867 673 3HB ALA 87 1HB ALA 87 -2.237 -7.693 -10.260 674 H PHE 88 H PHE 88 0.691 -8.429 -8.867 675 HA PHE 88 HA PHE 88 1.142 -7.868 -6.047 676 1HB PHE 88 1HB PHE 88 1.914 -10.267 -7.582 677 2HB PHE 88 2HB PHE 88 3.351 -9.419 -7.047 678 HD1 PHE 88 2HD PHE 88 0.087 -10.643 -5.712 679 HD2 PHE 88 1HD PHE 88 4.191 -9.880 -4.944 680 HE1 PHE 88 2HE PHE 88 -0.144 -11.685 -3.440 681 HE2 PHE 88 1HE PHE 88 3.959 -10.923 -2.672 682 HZ PHE 88 HZ PHE 88 1.794 -11.812 -1.947 683 H ASN 89 H ASN 89 1.399 -5.657 -6.784 684 HA ASN 89 HA ASN 89 3.940 -5.315 -8.166 685 1HB ASN 89 1HB ASN 89 1.348 -3.725 -8.504 686 2HB ASN 89 2HB ASN 89 2.893 -3.132 -9.078 687 1HD2 ASN 89 2HD2 ASN 89 3.288 -5.503 -11.702 688 2HD2 ASN 89 1HD2 ASN 89 4.131 -4.543 -10.532 689 H LYS 90 H LYS 90 4.755 -2.897 -7.726 690 HA LYS 90 HA LYS 90 4.601 -2.517 -4.873 691 1HB LYS 90 1HB LYS 90 6.285 -0.627 -5.550 692 2HB LYS 90 2HB LYS 90 6.779 -2.308 -5.563 693 1HG LYS 90 1HG LYS 90 5.558 -1.219 -8.090 694 2HG LYS 90 2HG LYS 90 7.171 -0.666 -7.679 695 1HD LYS 90 1HD LYS 90 8.107 -2.827 -7.839 696 2HD LYS 90 2HD LYS 90 6.578 -3.629 -7.539 697 1HE LYS 90 1HE LYS 90 5.799 -3.272 -9.754 698 2HE LYS 90 2HE LYS 90 6.905 -1.942 -10.037 699 1HZ LYS 90 3HZ LYS 90 7.803 -4.707 -9.621 700 2HZ LYS 90 1HZ LYS 90 7.532 -4.062 -11.096 701 3HZ LYS 90 2HZ LYS 90 8.702 -3.445 -10.139 702 H ILE 91 H ILE 91 3.652 -0.883 -3.810 703 HA ILE 91 HA ILE 91 1.658 0.671 -5.307 704 HB ILE 91 HB ILE 91 1.034 -0.491 -3.219 705 1HG1 ILE 91 1HG1 ILE 91 0.755 2.130 -2.085 706 2HG1 ILE 91 2HG1 ILE 91 0.639 2.282 -3.856 707 1HG2 ILE 91 3HG2 ILE 91 3.549 0.450 -2.351 708 2HG2 ILE 91 1HG2 ILE 91 2.355 1.352 -1.386 709 3HG2 ILE 91 2HG2 ILE 91 2.342 -0.428 -1.380 710 1HD1 ILE 91 3HD1 ILE 91 -0.929 0.179 -3.664 711 2HD1 ILE 91 1HD1 ILE 91 -1.080 0.673 -1.961 712 3HD1 ILE 91 2HD1 ILE 91 -1.575 1.788 -3.258 No H/Q in entry = 712 Start of MODEL 17 1 1H MET 1 2HN MET 1 9.739 3.073 9.198 2 2H MET 1 3HN MET 1 10.863 2.185 8.367 3 3H MET 1 H MET 1 11.286 2.946 9.775 4 HA MET 1 HA MET 1 11.008 5.064 8.833 5 1HB MET 1 1HB MET 1 12.922 3.071 7.997 6 2HB MET 1 2HB MET 1 12.593 4.181 6.644 7 1HG MET 1 1HG MET 1 13.350 6.036 7.794 8 2HG MET 1 2HG MET 1 12.966 5.346 9.380 9 1HE MET 1 1HE MET 1 15.168 6.951 7.869 10 2HE MET 1 2HE MET 1 16.706 6.481 8.634 11 3HE MET 1 3HE MET 1 16.334 5.945 6.977 12 H LEU 2 H LEU 2 8.896 2.877 7.638 13 HA LEU 2 HA LEU 2 7.537 2.756 5.887 14 1HB LEU 2 1HB LEU 2 6.803 4.803 7.046 15 2HB LEU 2 2HB LEU 2 7.822 5.762 5.990 16 HG LEU 2 HG LEU 2 6.128 4.129 4.354 17 1HD1 LEU 2 2HD1 LEU 2 4.662 3.964 6.319 18 2HD1 LEU 2 3HD1 LEU 2 4.614 5.740 6.426 19 3HD1 LEU 2 1HD1 LEU 2 3.921 4.915 5.010 20 1HD2 LEU 2 2HD2 LEU 2 6.817 6.972 4.741 21 2HD2 LEU 2 3HD2 LEU 2 6.681 6.007 3.252 22 3HD2 LEU 2 1HD2 LEU 2 5.218 6.666 4.021 23 H VAL 3 H VAL 3 9.489 1.708 4.778 24 HA VAL 3 HA VAL 3 9.744 2.962 2.204 25 HB VAL 3 HB VAL 3 11.536 4.008 3.581 26 1HG1 VAL 3 1HG1 VAL 3 11.940 1.957 5.001 27 2HG1 VAL 3 2HG1 VAL 3 12.809 1.255 3.616 28 3HG1 VAL 3 3HG1 VAL 3 13.407 2.749 4.378 29 1HG2 VAL 3 3HG2 VAL 3 12.284 2.253 1.230 30 2HG2 VAL 3 1HG2 VAL 3 11.875 3.984 1.233 31 3HG2 VAL 3 2HG2 VAL 3 13.407 3.430 1.953 32 H ALA 4 H ALA 4 10.471 1.439 0.575 33 HA ALA 4 HA ALA 4 10.624 -0.563 -0.352 34 1HB ALA 4 2HB ALA 4 12.084 -0.793 2.154 35 2HB ALA 4 3HB ALA 4 11.343 -2.349 1.708 36 3HB ALA 4 1HB ALA 4 12.435 -1.525 0.570 37 H LYS 5 H LYS 5 8.111 0.111 -0.017 38 HA LYS 5 HA LYS 5 6.861 -2.217 1.271 39 1HB LYS 5 1HB LYS 5 5.902 0.646 1.057 40 2HB LYS 5 2HB LYS 5 4.841 -0.685 1.476 41 1HG LYS 5 1HG LYS 5 7.434 -0.424 2.996 42 2HG LYS 5 2HG LYS 5 6.158 0.723 3.357 43 1HD LYS 5 1HD LYS 5 5.507 -2.235 3.240 44 2HD LYS 5 2HD LYS 5 6.290 -1.585 4.667 45 1HE LYS 5 1HE LYS 5 3.791 -0.277 3.524 46 2HE LYS 5 2HE LYS 5 3.674 -1.649 4.610 47 1HZ LYS 5 2HZ LYS 5 5.467 0.129 5.722 48 2HZ LYS 5 3HZ LYS 5 4.177 1.010 5.249 49 3HZ LYS 5 1HZ LYS 5 3.975 -0.252 6.263 50 H SER 6 H SER 6 4.585 -2.643 0.215 51 HA SER 6 HA SER 6 4.502 -1.949 -2.551 52 1HB SER 6 1HB SER 6 5.996 -3.814 -2.793 53 2HB SER 6 2HB SER 6 5.104 -4.784 -1.637 54 HG SER 6 HG SER 6 4.676 -5.394 -3.868 55 H SER 7 H SER 7 2.459 -3.018 -3.594 56 HA SER 7 HA SER 7 0.479 -3.370 -1.479 57 1HB SER 7 1HB SER 7 -0.295 -1.393 -2.359 58 2HB SER 7 2HB SER 7 0.510 -1.633 -3.897 59 HG SER 7 HG SER 7 -1.756 -1.778 -4.207 60 H ILE 8 H ILE 8 -1.108 -5.023 -1.799 61 HA ILE 8 HA ILE 8 -0.894 -6.557 -4.268 62 HB ILE 8 HB ILE 8 -0.613 -7.763 -1.513 63 1HG1 ILE 8 1HG1 ILE 8 1.615 -8.525 -2.808 64 2HG1 ILE 8 2HG1 ILE 8 1.359 -6.987 -3.608 65 1HG2 ILE 8 3HG2 ILE 8 -1.937 -9.089 -3.204 66 2HG2 ILE 8 1HG2 ILE 8 -0.454 -9.169 -4.186 67 3HG2 ILE 8 2HG2 ILE 8 -0.484 -9.889 -2.558 68 1HD1 ILE 8 2HD1 ILE 8 1.479 -7.397 -0.584 69 2HD1 ILE 8 3HD1 ILE 8 2.780 -6.720 -1.593 70 3HD1 ILE 8 1HD1 ILE 8 1.246 -5.836 -1.407 71 H LEU 9 H LEU 9 -2.908 -6.657 -5.088 72 HA LEU 9 HA LEU 9 -5.138 -6.262 -3.284 73 1HB LEU 9 1HB LEU 9 -4.863 -5.042 -5.452 74 2HB LEU 9 2HB LEU 9 -5.108 -6.563 -6.289 75 HG LEU 9 HG LEU 9 -7.361 -6.725 -5.136 76 1HD1 LEU 9 3HD1 LEU 9 -6.420 -4.660 -3.578 77 2HD1 LEU 9 1HD1 LEU 9 -7.521 -3.831 -4.704 78 3HD1 LEU 9 2HD1 LEU 9 -8.116 -5.181 -3.709 79 1HD2 LEU 9 2HD2 LEU 9 -6.649 -4.650 -7.185 80 2HD2 LEU 9 3HD2 LEU 9 -7.505 -6.197 -7.379 81 3HD2 LEU 9 1HD2 LEU 9 -8.329 -4.813 -6.623 82 H LEU 10 H LEU 10 -6.143 -7.930 -2.311 83 HA LEU 10 HA LEU 10 -5.793 -10.572 -3.512 84 1HB LEU 10 1HB LEU 10 -6.505 -9.658 -0.729 85 2HB LEU 10 2HB LEU 10 -6.624 -11.328 -1.246 86 HG LEU 10 HG LEU 10 -4.116 -11.050 -1.920 87 1HD1 LEU 10 3HD1 LEU 10 -4.446 -8.474 -1.280 88 2HD1 LEU 10 1HD1 LEU 10 -3.939 -9.091 0.311 89 3HD1 LEU 10 2HD1 LEU 10 -2.890 -9.322 -1.109 90 1HD2 LEU 10 2HD2 LEU 10 -5.435 -11.710 0.605 91 2HD2 LEU 10 3HD2 LEU 10 -4.153 -12.567 -0.285 92 3HD2 LEU 10 1HD2 LEU 10 -3.733 -11.227 0.808 93 H ASP 11 H ASP 11 -7.650 -12.020 -3.688 94 HA ASP 11 HA ASP 11 -10.184 -10.607 -3.646 95 1HB ASP 11 1HB ASP 11 -8.791 -11.197 -6.009 96 2HB ASP 11 2HB ASP 11 -9.915 -12.535 -5.874 97 H VAL 12 H VAL 12 -10.923 -11.867 -1.848 98 HA VAL 12 HA VAL 12 -10.564 -14.734 -1.919 99 HB VAL 12 HB VAL 12 -12.022 -12.976 0.063 100 1HG1 VAL 12 1HG1 VAL 12 -11.761 -15.823 -0.191 101 2HG1 VAL 12 2HG1 VAL 12 -10.881 -15.287 1.260 102 3HG1 VAL 12 3HG1 VAL 12 -12.602 -14.880 1.063 103 1HG2 VAL 12 3HG2 VAL 12 -9.619 -12.341 -0.261 104 2HG2 VAL 12 1HG2 VAL 12 -10.006 -12.920 1.377 105 3HG2 VAL 12 2HG2 VAL 12 -9.167 -13.992 0.230 106 H LYS 13 H LYS 13 -12.281 -16.273 -2.018 107 HA LYS 13 HA LYS 13 -14.731 -15.150 -3.190 108 1HB LYS 13 1HB LYS 13 -13.208 -16.488 -4.714 109 2HB LYS 13 2HB LYS 13 -13.564 -17.892 -3.729 110 1HG LYS 13 1HG LYS 13 -16.062 -16.570 -4.358 111 2HG LYS 13 2HG LYS 13 -15.152 -16.760 -5.843 112 1HD LYS 13 1HD LYS 13 -14.844 -19.191 -5.349 113 2HD LYS 13 2HD LYS 13 -15.737 -19.005 -3.853 114 1HE LYS 13 1HE LYS 13 -17.576 -19.549 -5.094 115 2HE LYS 13 2HE LYS 13 -17.509 -17.895 -5.667 116 1HZ LYS 13 2HZ LYS 13 -15.924 -18.806 -7.392 117 2HZ LYS 13 3HZ LYS 13 -16.457 -20.290 -6.969 118 3HZ LYS 13 1HZ LYS 13 -17.503 -19.186 -7.562 119 HA PRO 14 HA PRO 14 -16.532 -16.878 0.381 120 1HB PRO 14 1HB PRO 14 -19.084 -15.999 -0.050 121 2HB PRO 14 2HB PRO 14 -17.850 -15.021 0.717 122 1HG PRO 14 1HG PRO 14 -18.931 -14.823 -2.027 123 2HG PRO 14 2HG PRO 14 -18.036 -13.627 -1.112 124 1HD PRO 14 1HD PRO 14 -17.025 -15.280 -3.227 125 2HD PRO 14 2HD PRO 14 -16.104 -14.168 -2.234 126 H TRP 15 H TRP 15 -17.242 -18.857 0.939 127 HA TRP 15 HA TRP 15 -17.527 -20.798 -0.904 128 1HB TRP 15 1HB TRP 15 -18.523 -20.433 1.877 129 2HB TRP 15 2HB TRP 15 -19.177 -21.772 0.955 130 HD1 TRP 15 HD TRP 15 -16.378 -21.085 3.206 131 HE1 TRP 15 1HE TRP 15 -14.425 -22.856 3.078 132 HE3 TRP 15 3HE TRP 15 -17.875 -23.197 -1.171 133 HZ2 TRP 15 2HZ TRP 15 -13.742 -24.895 1.202 134 HZ3 TRP 15 3HZ TRP 15 -16.509 -25.072 -2.082 135 HH2 TRP 15 HH TRP 15 -14.507 -25.925 -0.969 136 H ASP 16 H ASP 16 -20.007 -18.473 0.280 137 HA ASP 16 HA ASP 16 -21.414 -18.614 -2.103 138 1HB ASP 16 1HB ASP 16 -22.119 -20.635 -0.136 139 2HB ASP 16 2HB ASP 16 -23.460 -19.520 -0.305 140 H ASP 17 H ASP 17 -23.827 -17.559 -1.566 141 HA ASP 17 HA ASP 17 -23.399 -15.083 -0.628 142 1HB ASP 17 1HB ASP 17 -26.038 -15.390 0.027 143 2HB ASP 17 2HB ASP 17 -25.466 -15.139 -1.610 144 H GLU 18 H GLU 18 -24.046 -18.090 1.156 145 HA GLU 18 HA GLU 18 -25.002 -17.088 3.511 146 1HB GLU 18 1HB GLU 18 -24.173 -19.183 4.526 147 2HB GLU 18 2HB GLU 18 -24.915 -19.492 2.969 148 1HG GLU 18 1HG GLU 18 -22.633 -19.473 1.902 149 2HG GLU 18 2HG GLU 18 -21.914 -19.228 3.481 150 H THR 19 H THR 19 -21.607 -17.427 2.343 151 HA THR 19 HA THR 19 -20.321 -16.751 4.717 152 HB THR 19 HB THR 19 -19.699 -16.646 1.750 153 HG1 THR 19 1HG THR 19 -19.638 -18.600 3.168 154 1HG2 THR 19 3HG2 THR 19 -17.862 -15.741 4.031 155 2HG2 THR 19 1HG2 THR 19 -17.334 -16.076 2.365 156 3HG2 THR 19 2HG2 THR 19 -18.433 -14.715 2.694 157 H ASP 20 H ASP 20 -21.077 -15.090 5.946 158 HA ASP 20 HA ASP 20 -22.225 -12.829 5.149 159 1HB ASP 20 1HB ASP 20 -20.814 -13.764 7.497 160 2HB ASP 20 2HB ASP 20 -20.369 -12.091 7.227 161 H MET 21 H MET 21 -21.509 -10.704 4.468 162 HA MET 21 HA MET 21 -18.793 -10.712 3.442 163 1HB MET 21 1HB MET 21 -21.351 -9.177 2.795 164 2HB MET 21 2HB MET 21 -19.805 -8.579 2.226 165 1HG MET 21 1HG MET 21 -20.016 -11.438 1.671 166 2HG MET 21 2HG MET 21 -21.421 -10.606 1.033 167 1HE MET 21 1HE MET 21 -18.450 -12.023 0.147 168 2HE MET 21 2HE MET 21 -19.599 -11.892 -1.208 169 3HE MET 21 3HE MET 21 -17.971 -11.185 -1.349 170 H ALA 22 H ALA 22 -20.598 -9.587 6.095 171 HA ALA 22 HA ALA 22 -19.217 -7.060 6.339 172 1HB ALA 22 3HB ALA 22 -21.676 -7.783 7.054 173 2HB ALA 22 1HB ALA 22 -20.842 -8.308 8.536 174 3HB ALA 22 2HB ALA 22 -20.746 -6.609 8.016 175 H LYS 23 H LYS 23 -18.994 -10.424 7.457 176 HA LYS 23 HA LYS 23 -17.033 -9.718 9.464 177 1HB LYS 23 1HB LYS 23 -17.651 -12.546 8.708 178 2HB LYS 23 2HB LYS 23 -17.297 -11.857 10.280 179 1HG LYS 23 1HG LYS 23 -19.710 -10.624 9.225 180 2HG LYS 23 2HG LYS 23 -19.868 -12.366 9.128 181 1HD LYS 23 1HD LYS 23 -19.498 -12.645 11.490 182 2HD LYS 23 2HD LYS 23 -18.879 -11.016 11.669 183 1HE LYS 23 1HE LYS 23 -21.586 -10.996 10.527 184 2HE LYS 23 2HE LYS 23 -21.552 -11.860 12.051 185 1HZ LYS 23 3HZ LYS 23 -20.143 -9.810 12.751 186 2HZ LYS 23 1HZ LYS 23 -20.936 -9.079 11.524 187 3HZ LYS 23 2HZ LYS 23 -21.774 -9.740 12.759 188 H LEU 24 H LEU 24 -17.226 -11.487 6.314 189 HA LEU 24 HA LEU 24 -14.540 -12.186 6.200 190 1HB LEU 24 1HB LEU 24 -16.794 -12.574 4.681 191 2HB LEU 24 2HB LEU 24 -15.822 -11.553 3.639 192 HG LEU 24 HG LEU 24 -15.047 -14.242 4.796 193 1HD1 LEU 24 2HD1 LEU 24 -16.563 -13.698 2.589 194 2HD1 LEU 24 3HD1 LEU 24 -14.929 -13.793 1.891 195 3HD1 LEU 24 1HD1 LEU 24 -15.579 -15.163 2.824 196 1HD2 LEU 24 1HD2 LEU 24 -13.379 -12.073 3.655 197 2HD2 LEU 24 2HD2 LEU 24 -12.963 -13.372 4.798 198 3HD2 LEU 24 3HD2 LEU 24 -13.059 -13.718 3.055 199 H GLU 25 H GLU 25 -16.268 -9.163 5.349 200 HA GLU 25 HA GLU 25 -13.967 -8.039 4.140 201 1HB GLU 25 1HB GLU 25 -16.359 -7.422 3.590 202 2HB GLU 25 2HB GLU 25 -16.480 -6.639 5.152 203 1HG GLU 25 1HG GLU 25 -14.081 -5.639 3.978 204 2HG GLU 25 2HG GLU 25 -15.271 -5.640 2.691 205 H GLU 26 H GLU 26 -15.486 -8.027 7.380 206 HA GLU 26 HA GLU 26 -13.869 -5.936 8.355 207 1HB GLU 26 1HB GLU 26 -15.839 -6.189 9.581 208 2HB GLU 26 2HB GLU 26 -15.781 -7.941 9.530 209 1HG GLU 26 1HG GLU 26 -14.438 -8.091 11.397 210 2HG GLU 26 2HG GLU 26 -13.495 -6.678 10.965 211 H CYS 27 H CYS 27 -13.892 -9.525 8.979 212 HA CYS 27 HA CYS 27 -11.750 -9.767 10.548 213 1HB CYS 27 1HB CYS 27 -13.209 -11.620 9.669 214 2HB CYS 27 2HB CYS 27 -12.275 -11.599 8.187 215 HG CYS 27 HG CYS 27 -11.433 -12.328 11.282 216 H VAL 28 H VAL 28 -11.571 -9.987 6.910 217 HA VAL 28 HA VAL 28 -8.920 -10.026 6.552 218 HB VAL 28 HB VAL 28 -11.192 -8.788 5.068 219 1HG1 VAL 28 3HG1 VAL 28 -8.350 -8.042 4.715 220 2HG1 VAL 28 1HG1 VAL 28 -9.197 -8.534 3.228 221 3HG1 VAL 28 2HG1 VAL 28 -9.834 -7.196 4.215 222 1HG2 VAL 28 3HG2 VAL 28 -10.147 -11.305 5.160 223 2HG2 VAL 28 1HG2 VAL 28 -11.067 -10.644 3.785 224 3HG2 VAL 28 2HG2 VAL 28 -9.287 -10.632 3.754 225 H ARG 29 H ARG 29 -10.909 -7.175 7.457 226 HA ARG 29 HA ARG 29 -8.723 -5.411 7.226 227 1HB ARG 29 1HB ARG 29 -11.467 -5.117 7.413 228 2HB ARG 29 2HB ARG 29 -10.983 -4.657 9.032 229 1HG ARG 29 1HG ARG 29 -9.274 -3.471 6.916 230 2HG ARG 29 2HG ARG 29 -10.954 -2.986 6.804 231 1HD ARG 29 1HD ARG 29 -9.877 -2.938 9.578 232 2HD ARG 29 2HD ARG 29 -9.072 -1.826 8.487 233 HE ARG 29 HE ARG 29 -11.749 -1.395 7.940 234 1HH1 ARG 29 2HH2 ARG 29 -9.843 -1.392 10.897 235 2HH1 ARG 29 1HH2 ARG 29 -10.849 -0.229 11.696 236 1HH2 ARG 29 2HH1 ARG 29 -13.077 0.138 8.993 237 2HH2 ARG 29 1HH1 ARG 29 -12.701 0.647 10.606 238 H SER 30 H SER 30 -10.571 -6.842 10.020 239 HA SER 30 HA SER 30 -9.366 -5.774 12.100 240 1HB SER 30 1HB SER 30 -9.800 -7.838 13.336 241 2HB SER 30 2HB SER 30 -11.096 -7.567 12.189 242 HG SER 30 HG SER 30 -8.985 -9.506 12.106 243 H ILE 31 H ILE 31 -8.006 -8.451 10.078 244 HA ILE 31 HA ILE 31 -5.819 -9.165 11.445 245 HB ILE 31 HB ILE 31 -6.144 -8.646 8.494 246 1HG1 ILE 31 1HG1 ILE 31 -6.132 -11.270 10.001 247 2HG1 ILE 31 2HG1 ILE 31 -7.596 -10.357 9.692 248 1HG2 ILE 31 3HG2 ILE 31 -3.784 -9.654 10.028 249 2HG2 ILE 31 1HG2 ILE 31 -4.171 -10.399 8.458 250 3HG2 ILE 31 2HG2 ILE 31 -3.857 -8.650 8.561 251 1HD1 ILE 31 3HD1 ILE 31 -6.595 -10.350 7.175 252 2HD1 ILE 31 1HD1 ILE 31 -5.845 -11.850 7.772 253 3HD1 ILE 31 2HD1 ILE 31 -7.615 -11.672 7.793 254 H GLN 32 H GLN 32 -4.015 -8.240 12.277 255 HA GLN 32 HA GLN 32 -3.277 -5.654 11.156 256 1HB GLN 32 1HB GLN 32 -4.539 -5.632 13.459 257 2HB GLN 32 2HB GLN 32 -3.033 -6.235 14.123 258 1HG GLN 32 1HG GLN 32 -2.517 -3.991 12.318 259 2HG GLN 32 2HG GLN 32 -3.693 -3.532 13.534 260 1HE2 GLN 32 2HE2 GLN 32 -0.830 -2.659 15.397 261 2HE2 GLN 32 1HE2 GLN 32 -2.086 -2.104 14.340 262 H ALA 33 H ALA 33 -0.974 -5.125 11.333 263 HA ALA 33 HA ALA 33 0.827 -7.015 12.456 264 1HB ALA 33 3HB ALA 33 -0.046 -7.360 9.686 265 2HB ALA 33 1HB ALA 33 1.710 -7.092 9.799 266 3HB ALA 33 2HB ALA 33 0.953 -8.426 10.703 267 H ASP 34 H ASP 34 2.961 -6.150 12.559 268 HA ASP 34 HA ASP 34 3.088 -3.426 12.654 269 1HB ASP 34 1HB ASP 34 4.662 -5.189 13.681 270 2HB ASP 34 2HB ASP 34 5.455 -5.275 12.120 271 H GLY 35 H GLY 35 4.421 -5.746 10.177 272 1HA GLY 35 1HA GLY 35 5.095 -3.558 8.381 273 2HA GLY 35 2HA GLY 35 5.433 -5.264 8.169 274 H LEU 36 H LEU 36 2.188 -4.196 9.147 275 HA LEU 36 HA LEU 36 1.273 -4.736 6.407 276 1HB LEU 36 1HB LEU 36 0.849 -6.576 8.067 277 2HB LEU 36 2HB LEU 36 -0.183 -5.467 8.948 278 HG LEU 36 HG LEU 36 -1.110 -5.371 6.293 279 1HD1 LEU 36 1HD1 LEU 36 0.338 -7.678 6.412 280 2HD1 LEU 36 2HD1 LEU 36 -1.275 -8.248 6.904 281 3HD1 LEU 36 3HD1 LEU 36 -1.065 -7.406 5.350 282 1HD2 LEU 36 1HD2 LEU 36 -2.058 -6.113 8.949 283 2HD2 LEU 36 2HD2 LEU 36 -2.892 -5.264 7.625 284 3HD2 LEU 36 3HD2 LEU 36 -2.851 -7.043 7.655 285 H VAL 37 H VAL 37 0.199 -3.079 5.472 286 HA VAL 37 HA VAL 37 -1.011 -1.109 7.284 287 HB VAL 37 HB VAL 37 0.744 -0.682 4.870 288 1HG1 VAL 37 3HG1 VAL 37 -1.353 0.700 4.729 289 2HG1 VAL 37 1HG1 VAL 37 -0.886 1.459 6.270 290 3HG1 VAL 37 2HG1 VAL 37 0.152 1.644 4.836 291 1HG2 VAL 37 3HG2 VAL 37 1.830 -0.912 7.095 292 2HG2 VAL 37 1HG2 VAL 37 2.063 0.696 6.368 293 3HG2 VAL 37 2HG2 VAL 37 0.875 0.474 7.675 294 H TRP 38 H TRP 38 -3.149 -1.695 7.070 295 HA TRP 38 HA TRP 38 -4.239 -2.658 4.663 296 1HB TRP 38 1HB TRP 38 -5.290 -1.756 7.303 297 2HB TRP 38 2HB TRP 38 -6.415 -1.869 5.964 298 HD1 TRP 38 HD TRP 38 -5.595 -3.932 8.711 299 HE1 TRP 38 1HE TRP 38 -5.794 -6.534 8.318 300 HE3 TRP 38 3HE TRP 38 -5.573 -3.696 3.632 301 HZ2 TRP 38 2HZ TRP 38 -5.916 -8.165 5.979 302 HZ3 TRP 38 3HZ TRP 38 -5.735 -5.839 2.369 303 HH2 TRP 38 HH TRP 38 -5.902 -8.020 3.461 304 H GLY 39 H GLY 39 -5.367 -1.575 3.006 305 1HA GLY 39 1HA GLY 39 -5.019 1.354 3.006 306 2HA GLY 39 2HA GLY 39 -5.117 0.321 1.594 307 H SER 40 H SER 40 -7.153 -0.387 0.796 308 HA SER 40 HA SER 40 -9.477 0.283 2.335 309 1HB SER 40 1HB SER 40 -8.497 2.054 0.279 310 2HB SER 40 2HB SER 40 -9.983 1.326 -0.300 311 HG SER 40 HG SER 40 -9.869 2.363 2.375 312 H SER 41 H SER 41 -11.172 -1.146 1.865 313 HA SER 41 HA SER 41 -10.538 -3.099 -0.176 314 1HB SER 41 1HB SER 41 -12.276 -4.488 0.955 315 2HB SER 41 2HB SER 41 -10.994 -4.000 2.045 316 HG SER 41 HG SER 41 -13.562 -3.674 2.469 317 H LYS 42 H LYS 42 -12.362 -3.912 -1.588 318 HA LYS 42 HA LYS 42 -14.475 -1.921 -1.939 319 1HB LYS 42 1HB LYS 42 -14.032 -2.385 -4.499 320 2HB LYS 42 2HB LYS 42 -13.168 -1.130 -3.635 321 1HG LYS 42 1HG LYS 42 -11.160 -2.267 -3.695 322 2HG LYS 42 2HG LYS 42 -11.915 -3.835 -3.489 323 1HD LYS 42 1HD LYS 42 -11.079 -3.880 -5.717 324 2HD LYS 42 2HD LYS 42 -12.795 -3.579 -5.909 325 1HE LYS 42 1HE LYS 42 -12.293 -1.093 -6.034 326 2HE LYS 42 2HE LYS 42 -10.583 -1.472 -5.980 327 1HZ LYS 42 3HZ LYS 42 -11.256 -3.026 -7.936 328 2HZ LYS 42 1HZ LYS 42 -12.488 -1.968 -8.104 329 3HZ LYS 42 2HZ LYS 42 -10.944 -1.445 -8.194 330 H LEU 43 H LEU 43 -16.274 -2.819 -3.370 331 HA LEU 43 HA LEU 43 -16.433 -5.728 -2.988 332 1HB LEU 43 1HB LEU 43 -18.248 -3.554 -2.158 333 2HB LEU 43 2HB LEU 43 -19.025 -4.923 -2.930 334 HG LEU 43 HG LEU 43 -19.080 -5.275 -0.573 335 1HD1 LEU 43 1HD1 LEU 43 -17.805 -7.068 -2.355 336 2HD1 LEU 43 2HD1 LEU 43 -16.950 -7.181 -0.798 337 3HD1 LEU 43 3HD1 LEU 43 -18.710 -7.440 -0.868 338 1HD2 LEU 43 3HD2 LEU 43 -16.946 -3.721 -0.314 339 2HD2 LEU 43 1HD2 LEU 43 -17.406 -4.907 0.931 340 3HD2 LEU 43 2HD2 LEU 43 -16.116 -5.293 -0.232 341 H VAL 44 H VAL 44 -17.924 -6.821 -4.552 342 HA VAL 44 HA VAL 44 -18.574 -5.340 -6.926 343 HB VAL 44 HB VAL 44 -16.378 -7.411 -6.889 344 1HG1 VAL 44 3HG1 VAL 44 -18.075 -7.823 -8.710 345 2HG1 VAL 44 1HG1 VAL 44 -17.668 -6.217 -9.360 346 3HG1 VAL 44 2HG1 VAL 44 -16.423 -7.487 -9.281 347 1HG2 VAL 44 2HG2 VAL 44 -16.510 -4.516 -7.786 348 2HG2 VAL 44 3HG2 VAL 44 -15.544 -5.203 -6.458 349 3HG2 VAL 44 1HG2 VAL 44 -15.150 -5.608 -8.145 350 HA PRO 45 HA PRO 45 -21.485 -8.584 -6.142 351 1HB PRO 45 1HB PRO 45 -23.673 -7.272 -7.125 352 2HB PRO 45 2HB PRO 45 -23.164 -7.166 -5.451 353 1HG PRO 45 1HG PRO 45 -22.876 -5.164 -7.607 354 2HG PRO 45 2HG PRO 45 -22.771 -4.932 -5.873 355 1HD PRO 45 1HD PRO 45 -20.583 -5.049 -7.724 356 2HD PRO 45 2HD PRO 45 -20.475 -4.934 -5.979 357 H VAL 46 H VAL 46 -22.044 -10.341 -7.317 358 HA VAL 46 HA VAL 46 -21.413 -10.058 -10.139 359 HB VAL 46 HB VAL 46 -20.450 -11.857 -8.709 360 1HG1 VAL 46 3HG1 VAL 46 -23.333 -12.797 -8.625 361 2HG1 VAL 46 1HG1 VAL 46 -21.939 -13.833 -8.234 362 3HG1 VAL 46 2HG1 VAL 46 -22.278 -12.388 -7.252 363 1HG2 VAL 46 2HG2 VAL 46 -21.742 -12.132 -11.310 364 2HG2 VAL 46 3HG2 VAL 46 -20.149 -12.703 -10.759 365 3HG2 VAL 46 1HG2 VAL 46 -21.599 -13.693 -10.466 366 H GLY 47 H GLY 47 -24.142 -10.557 -7.909 367 1HA GLY 47 1HA GLY 47 -25.975 -10.121 -10.137 368 2HA GLY 47 2HA GLY 47 -26.132 -11.639 -9.273 369 H TYR 48 H TYR 48 -25.949 -11.255 -6.675 370 HA TYR 48 HA TYR 48 -26.786 -8.889 -5.547 371 1HB TYR 48 1HB TYR 48 -28.810 -10.424 -7.055 372 2HB TYR 48 2HB TYR 48 -29.255 -10.375 -5.360 373 HD1 TYR 48 2HD TYR 48 -28.564 -7.753 -4.420 374 HD2 TYR 48 1HD TYR 48 -30.061 -8.893 -8.262 375 HE1 TYR 48 2HE TYR 48 -29.524 -5.422 -4.745 376 HE2 TYR 48 1HE TYR 48 -31.016 -6.558 -8.575 377 HH TYR 48 HH TYR 48 -31.774 -4.638 -6.551 378 H GLY 49 H GLY 49 -26.997 -12.459 -5.642 379 1HA GLY 49 1HA GLY 49 -27.400 -12.702 -2.798 380 2HA GLY 49 2HA GLY 49 -27.116 -13.985 -3.957 381 H ILE 50 H ILE 50 -24.724 -13.618 -5.097 382 HA ILE 50 HA ILE 50 -22.924 -13.726 -2.814 383 HB ILE 50 HB ILE 50 -22.792 -14.688 -5.658 384 1HG1 ILE 50 1HG1 ILE 50 -22.052 -16.677 -3.814 385 2HG1 ILE 50 2HG1 ILE 50 -23.409 -15.852 -3.073 386 1HG2 ILE 50 2HG2 ILE 50 -20.520 -14.534 -3.661 387 2HG2 ILE 50 3HG2 ILE 50 -20.506 -15.521 -5.142 388 3HG2 ILE 50 1HG2 ILE 50 -20.618 -13.749 -5.255 389 1HD1 ILE 50 1HD1 ILE 50 -23.379 -16.924 -5.933 390 2HD1 ILE 50 2HD1 ILE 50 -24.150 -17.725 -4.543 391 3HD1 ILE 50 3HD1 ILE 50 -24.764 -16.157 -5.119 392 H LYS 51 H LYS 51 -20.725 -12.700 -3.049 393 HA LYS 51 HA LYS 51 -20.649 -10.440 -4.850 394 1HB LYS 51 1HB LYS 51 -21.225 -10.192 -1.956 395 2HB LYS 51 2HB LYS 51 -19.959 -9.141 -2.557 396 1HG LYS 51 1HG LYS 51 -21.420 -8.143 -4.199 397 2HG LYS 51 2HG LYS 51 -22.629 -9.396 -3.999 398 1HD LYS 51 1HD LYS 51 -21.860 -7.733 -1.593 399 2HD LYS 51 2HD LYS 51 -22.901 -7.016 -2.808 400 1HE LYS 51 1HE LYS 51 -24.552 -8.809 -2.550 401 2HE LYS 51 2HE LYS 51 -23.476 -9.719 -1.508 402 1HZ LYS 51 3HZ LYS 51 -23.544 -7.580 -0.107 403 2HZ LYS 51 1HZ LYS 51 -24.925 -7.266 -0.921 404 3HZ LYS 51 2HZ LYS 51 -24.795 -8.628 -0.028 405 H LYS 52 H LYS 52 -18.458 -9.394 -4.819 406 HA LYS 52 HA LYS 52 -16.486 -11.479 -4.453 407 1HB LYS 52 1HB LYS 52 -16.904 -9.421 -6.324 408 2HB LYS 52 2HB LYS 52 -15.470 -8.943 -5.437 409 1HG LYS 52 1HG LYS 52 -14.479 -11.217 -5.829 410 2HG LYS 52 2HG LYS 52 -15.906 -11.674 -6.737 411 1HD LYS 52 1HD LYS 52 -15.345 -9.457 -8.130 412 2HD LYS 52 2HD LYS 52 -13.738 -9.703 -7.478 413 1HE LYS 52 1HE LYS 52 -13.397 -11.685 -8.661 414 2HE LYS 52 2HE LYS 52 -15.096 -12.112 -8.658 415 1HZ LYS 52 3HZ LYS 52 -14.324 -9.739 -10.127 416 2HZ LYS 52 1HZ LYS 52 -13.925 -11.184 -10.773 417 3HZ LYS 52 2HZ LYS 52 -15.489 -10.834 -10.459 418 H LEU 53 H LEU 53 -14.661 -11.341 -3.092 419 HA LEU 53 HA LEU 53 -14.914 -9.257 -1.037 420 1HB LEU 53 1HB LEU 53 -14.902 -12.080 -0.833 421 2HB LEU 53 2HB LEU 53 -13.375 -11.522 -0.182 422 HG LEU 53 HG LEU 53 -15.352 -11.804 1.425 423 1HD1 LEU 53 2HD1 LEU 53 -13.156 -10.583 1.834 424 2HD1 LEU 53 3HD1 LEU 53 -14.054 -9.079 1.522 425 3HD1 LEU 53 1HD1 LEU 53 -14.531 -10.137 2.871 426 1HD2 LEU 53 3HD2 LEU 53 -16.612 -10.097 -0.386 427 2HD2 LEU 53 1HD2 LEU 53 -17.202 -10.590 1.220 428 3HD2 LEU 53 2HD2 LEU 53 -16.277 -9.080 1.036 429 H GLN 54 H GLN 54 -13.677 -7.893 -2.615 430 HA GLN 54 HA GLN 54 -10.896 -8.714 -2.769 431 1HB GLN 54 1HB GLN 54 -11.692 -8.110 -4.923 432 2HB GLN 54 2HB GLN 54 -12.587 -6.731 -4.314 433 1HG GLN 54 1HG GLN 54 -10.723 -5.361 -4.254 434 2HG GLN 54 2HG GLN 54 -9.641 -6.664 -3.804 435 1HE2 GLN 54 2HE2 GLN 54 -8.882 -7.745 -7.082 436 2HE2 GLN 54 1HE2 GLN 54 -8.997 -8.202 -5.416 437 H ILE 55 H ILE 55 -9.203 -7.428 -1.905 438 HA ILE 55 HA ILE 55 -9.907 -4.936 -0.627 439 HB ILE 55 HB ILE 55 -9.778 -5.536 1.511 440 1HG1 ILE 55 1HG1 ILE 55 -7.351 -6.089 1.258 441 2HG1 ILE 55 2HG1 ILE 55 -8.183 -7.003 2.501 442 1HG2 ILE 55 3HG2 ILE 55 -10.293 -8.259 0.285 443 2HG2 ILE 55 1HG2 ILE 55 -10.583 -7.829 1.988 444 3HG2 ILE 55 2HG2 ILE 55 -11.501 -7.018 0.697 445 1HD1 ILE 55 3HD1 ILE 55 -8.042 -8.164 -0.283 446 2HD1 ILE 55 1HD1 ILE 55 -6.600 -8.235 0.757 447 3HD1 ILE 55 2HD1 ILE 55 -8.117 -9.002 1.286 448 H GLN 56 H GLN 56 -7.947 -3.735 0.066 449 HA GLN 56 HA GLN 56 -5.608 -4.749 -1.355 450 1HB GLN 56 1HB GLN 56 -6.642 -2.859 -2.574 451 2HB GLN 56 2HB GLN 56 -6.571 -1.862 -1.135 452 1HG GLN 56 1HG GLN 56 -4.643 -1.202 -2.341 453 2HG GLN 56 2HG GLN 56 -4.004 -2.322 -1.153 454 1HE2 GLN 56 2HE2 GLN 56 -3.858 -3.073 -5.168 455 2HE2 GLN 56 1HE2 GLN 56 -4.617 -1.678 -4.475 456 H CYS 57 H CYS 57 -3.559 -4.440 -0.347 457 HA CYS 57 HA CYS 57 -3.680 -3.244 2.316 458 1HB CYS 57 1HB CYS 57 -3.685 -5.913 2.109 459 2HB CYS 57 2HB CYS 57 -1.959 -5.660 1.937 460 HG CYS 57 HG CYS 57 -2.604 -3.626 4.062 461 H VAL 58 H VAL 58 -0.986 -3.504 3.003 462 HA VAL 58 HA VAL 58 0.616 -2.731 0.728 463 HB VAL 58 HB VAL 58 0.030 -0.831 3.006 464 1HG1 VAL 58 3HG1 VAL 58 2.460 -1.004 2.105 465 2HG1 VAL 58 1HG1 VAL 58 1.807 -0.212 0.650 466 3HG1 VAL 58 2HG1 VAL 58 1.702 0.602 2.230 467 1HG2 VAL 58 1HG2 VAL 58 -0.702 -0.851 0.076 468 2HG2 VAL 58 2HG2 VAL 58 -1.753 -0.620 1.494 469 3HG2 VAL 58 3HG2 VAL 58 -0.622 0.664 1.006 470 H VAL 59 H VAL 59 1.550 -4.823 1.388 471 HA VAL 59 HA VAL 59 2.792 -4.896 3.993 472 HB VAL 59 HB VAL 59 3.270 -7.131 3.513 473 1HG1 VAL 59 3HG1 VAL 59 0.650 -6.299 2.248 474 2HG1 VAL 59 1HG1 VAL 59 1.110 -8.007 2.449 475 3HG1 VAL 59 2HG1 VAL 59 0.943 -6.956 3.876 476 1HG2 VAL 59 2HG2 VAL 59 2.859 -6.478 0.576 477 2HG2 VAL 59 3HG2 VAL 59 4.391 -6.894 1.382 478 3HG2 VAL 59 1HG2 VAL 59 3.105 -8.116 1.227 479 H GLU 60 H GLU 60 5.223 -5.812 3.890 480 HA GLU 60 HA GLU 60 6.643 -3.713 2.561 481 1HB GLU 60 1HB GLU 60 7.001 -5.264 4.920 482 2HB GLU 60 2HB GLU 60 8.352 -5.666 3.880 483 1HG GLU 60 1HG GLU 60 7.796 -2.776 3.855 484 2HG GLU 60 2HG GLU 60 8.096 -3.359 5.481 485 H ASP 61 H ASP 61 8.944 -4.481 1.600 486 HA ASP 61 HA ASP 61 8.224 -6.488 -0.368 487 1HB ASP 61 1HB ASP 61 9.068 -4.055 -0.909 488 2HB ASP 61 2HB ASP 61 10.653 -4.662 -0.471 489 H ASP 62 H ASP 62 9.646 -6.374 2.595 490 HA ASP 62 HA ASP 62 11.250 -8.655 2.045 491 1HB ASP 62 1HB ASP 62 12.668 -6.415 1.741 492 2HB ASP 62 2HB ASP 62 12.668 -6.405 3.494 493 H LYS 63 H LYS 63 8.831 -7.695 3.613 494 HA LYS 63 HA LYS 63 9.772 -8.545 6.253 495 1HB LYS 63 1HB LYS 63 9.083 -5.935 5.719 496 2HB LYS 63 2HB LYS 63 7.564 -6.597 6.289 497 1HG LYS 63 1HG LYS 63 8.321 -6.525 8.421 498 2HG LYS 63 2HG LYS 63 9.610 -7.638 8.009 499 1HD LYS 63 1HD LYS 63 9.833 -4.665 7.395 500 2HD LYS 63 2HD LYS 63 10.277 -5.306 8.965 501 1HE LYS 63 1HE LYS 63 11.987 -6.741 7.992 502 2HE LYS 63 2HE LYS 63 11.424 -6.415 6.365 503 1HZ LYS 63 2HZ LYS 63 11.975 -4.047 6.833 504 2HZ LYS 63 3HZ LYS 63 12.724 -4.535 8.199 505 3HZ LYS 63 1HZ LYS 63 13.262 -5.048 6.745 506 H VAL 64 H VAL 64 6.714 -7.726 4.459 507 HA VAL 64 HA VAL 64 5.807 -10.441 5.103 508 HB VAL 64 HB VAL 64 4.261 -7.855 5.367 509 1HG1 VAL 64 3HG1 VAL 64 3.169 -10.163 4.474 510 2HG1 VAL 64 1HG1 VAL 64 3.048 -10.426 6.231 511 3HG1 VAL 64 2HG1 VAL 64 2.299 -8.990 5.492 512 1HG2 VAL 64 3HG2 VAL 64 5.227 -9.895 7.392 513 2HG2 VAL 64 1HG2 VAL 64 5.657 -8.171 7.283 514 3HG2 VAL 64 2HG2 VAL 64 4.008 -8.650 7.750 515 H GLY 65 H GLY 65 4.620 -11.474 3.468 516 1HA GLY 65 1HA GLY 65 4.027 -9.922 1.050 517 2HA GLY 65 2HA GLY 65 5.136 -11.273 0.920 518 H THR 66 H THR 66 1.780 -10.296 1.665 519 HA THR 66 HA THR 66 -0.062 -11.567 2.058 520 HB THR 66 HB THR 66 0.967 -12.758 -0.570 521 HG1 THR 66 1HG THR 66 -0.370 -10.274 0.240 522 1HG2 THR 66 1HG2 THR 66 -1.270 -13.609 0.422 523 2HG2 THR 66 2HG2 THR 66 -1.862 -11.940 0.244 524 3HG2 THR 66 3HG2 THR 66 -1.369 -12.867 -1.193 525 H ASP 67 H ASP 67 1.996 -12.584 3.665 526 HA ASP 67 HA ASP 67 1.799 -15.443 3.243 527 1HB ASP 67 1HB ASP 67 3.431 -15.387 5.304 528 2HB ASP 67 2HB ASP 67 4.035 -14.925 3.725 529 H MET 68 H MET 68 1.642 -13.004 5.959 530 HA MET 68 HA MET 68 0.281 -14.763 7.663 531 1HB MET 68 1HB MET 68 1.656 -12.403 7.952 532 2HB MET 68 2HB MET 68 0.020 -11.778 8.005 533 1HG MET 68 1HG MET 68 -0.337 -13.813 9.730 534 2HG MET 68 2HG MET 68 1.397 -13.657 9.926 535 1HE MET 68 2HE MET 68 -1.592 -11.703 9.172 536 2HE MET 68 3HE MET 68 -2.058 -11.129 10.791 537 3HE MET 68 1HE MET 68 -1.158 -10.057 9.690 538 H LEU 69 H LEU 69 -0.771 -11.974 5.606 539 HA LEU 69 HA LEU 69 -3.400 -11.868 6.386 540 1HB LEU 69 1HB LEU 69 -2.034 -11.298 3.763 541 2HB LEU 69 2HB LEU 69 -3.749 -11.023 3.998 542 HG LEU 69 HG LEU 69 -1.440 -9.655 5.386 543 1HD1 LEU 69 2HD1 LEU 69 -3.364 -8.958 3.262 544 2HD1 LEU 69 3HD1 LEU 69 -3.123 -7.708 4.506 545 3HD1 LEU 69 1HD1 LEU 69 -1.730 -8.335 3.593 546 1HD2 LEU 69 1HD2 LEU 69 -4.213 -10.045 6.333 547 2HD2 LEU 69 2HD2 LEU 69 -2.725 -9.664 7.233 548 3HD2 LEU 69 3HD2 LEU 69 -3.608 -8.372 6.385 549 H GLU 70 H GLU 70 -1.708 -14.231 4.343 550 HA GLU 70 HA GLU 70 -4.082 -15.325 3.284 551 1HB GLU 70 1HB GLU 70 -1.957 -15.577 2.103 552 2HB GLU 70 2HB GLU 70 -1.235 -16.395 3.474 553 1HG GLU 70 1HG GLU 70 -3.281 -18.082 3.163 554 2HG GLU 70 2HG GLU 70 -3.323 -17.420 1.541 555 H GLU 71 H GLU 71 -1.681 -16.576 5.723 556 HA GLU 71 HA GLU 71 -3.237 -18.726 6.473 557 1HB GLU 71 1HB GLU 71 -0.868 -17.276 7.562 558 2HB GLU 71 2HB GLU 71 -1.760 -18.231 8.729 559 1HG GLU 71 1HG GLU 71 -1.581 -19.882 6.429 560 2HG GLU 71 2HG GLU 71 -0.004 -19.128 6.562 561 H GLN 72 H GLN 72 -3.812 -15.399 6.918 562 HA GLN 72 HA GLN 72 -5.311 -15.883 9.359 563 1HB GLN 72 1HB GLN 72 -4.482 -13.288 7.988 564 2HB GLN 72 2HB GLN 72 -5.471 -13.356 9.433 565 1HG GLN 72 1HG GLN 72 -3.109 -15.028 9.786 566 2HG GLN 72 2HG GLN 72 -2.623 -13.425 9.273 567 1HE2 GLN 72 2HE2 GLN 72 -3.846 -14.155 13.045 568 2HE2 GLN 72 1HE2 GLN 72 -3.535 -15.358 11.837 569 H ILE 73 H ILE 73 -5.615 -14.336 6.085 570 HA ILE 73 HA ILE 73 -8.409 -13.998 6.308 571 HB ILE 73 HB ILE 73 -6.555 -14.014 3.926 572 1HG1 ILE 73 1HG1 ILE 73 -7.774 -11.601 5.262 573 2HG1 ILE 73 2HG1 ILE 73 -6.277 -12.298 5.848 574 1HG2 ILE 73 2HG2 ILE 73 -8.859 -14.497 3.243 575 2HG2 ILE 73 3HG2 ILE 73 -9.423 -13.049 4.110 576 3HG2 ILE 73 1HG2 ILE 73 -8.339 -12.882 2.708 577 1HD1 ILE 73 3HD1 ILE 73 -5.360 -12.128 3.473 578 2HD1 ILE 73 1HD1 ILE 73 -6.826 -11.210 3.053 579 3HD1 ILE 73 2HD1 ILE 73 -5.689 -10.568 4.263 580 H THR 74 H THR 74 -6.318 -16.443 4.636 581 HA THR 74 HA THR 74 -8.624 -17.998 3.897 582 HB THR 74 HB THR 74 -7.035 -19.243 2.654 583 HG1 THR 74 1HG THR 74 -5.254 -18.275 4.776 584 1HG2 THR 74 3HG2 THR 74 -6.702 -16.477 2.562 585 2HG2 THR 74 1HG2 THR 74 -5.058 -17.044 2.944 586 3HG2 THR 74 2HG2 THR 74 -5.885 -17.630 1.481 587 H ALA 75 H ALA 75 -7.410 -17.390 6.855 588 HA ALA 75 HA ALA 75 -7.067 -20.041 7.840 589 1HB ALA 75 3HB ALA 75 -6.528 -17.436 8.700 590 2HB ALA 75 1HB ALA 75 -7.804 -17.999 9.806 591 3HB ALA 75 2HB ALA 75 -6.294 -18.928 9.642 592 H PHE 76 H PHE 76 -9.758 -18.317 6.711 593 HA PHE 76 HA PHE 76 -11.539 -19.779 8.526 594 1HB PHE 76 1HB PHE 76 -11.447 -17.091 7.243 595 2HB PHE 76 2HB PHE 76 -12.985 -17.888 6.976 596 HD1 PHE 76 2HD PHE 76 -13.644 -19.233 9.384 597 HD2 PHE 76 1HD PHE 76 -11.606 -15.539 8.929 598 HE1 PHE 76 2HE PHE 76 -14.403 -18.532 11.672 599 HE2 PHE 76 1HE PHE 76 -12.365 -14.838 11.216 600 HZ PHE 76 HZ PHE 76 -13.755 -16.343 12.560 601 H GLU 77 H GLU 77 -11.187 -21.759 7.221 602 HA GLU 77 HA GLU 77 -11.908 -21.700 4.491 603 1HB GLU 77 1HB GLU 77 -10.732 -23.562 6.349 604 2HB GLU 77 2HB GLU 77 -12.082 -24.365 5.571 605 1HG GLU 77 1HG GLU 77 -11.042 -23.277 3.356 606 2HG GLU 77 2HG GLU 77 -9.581 -23.218 4.320 607 H ASP 78 H ASP 78 -13.736 -21.362 7.280 608 HA ASP 78 HA ASP 78 -15.933 -22.968 6.335 609 1HB ASP 78 1HB ASP 78 -15.041 -22.236 8.860 610 2HB ASP 78 2HB ASP 78 -16.358 -21.106 8.619 611 H TYR 79 H TYR 79 -14.746 -20.359 5.058 612 HA TYR 79 HA TYR 79 -17.307 -19.145 4.521 613 1HB TYR 79 1HB TYR 79 -14.929 -17.855 5.969 614 2HB TYR 79 2HB TYR 79 -16.034 -16.856 5.046 615 HD1 TYR 79 2HD TYR 79 -18.388 -16.579 5.773 616 HD2 TYR 79 1HD TYR 79 -15.575 -18.810 8.101 617 HE1 TYR 79 2HE TYR 79 -19.938 -16.449 7.783 618 HE2 TYR 79 1HE TYR 79 -17.135 -18.672 10.104 619 HH TYR 79 HH TYR 79 -19.099 -16.787 10.729 620 H VAL 80 H VAL 80 -13.711 -19.062 4.143 621 HA VAL 80 HA VAL 80 -13.983 -17.836 1.544 622 HB VAL 80 HB VAL 80 -11.639 -18.795 3.189 623 1HG1 VAL 80 3HG1 VAL 80 -11.765 -17.736 0.377 624 2HG1 VAL 80 1HG1 VAL 80 -10.364 -17.355 1.408 625 3HG1 VAL 80 2HG1 VAL 80 -10.775 -19.050 1.053 626 1HG2 VAL 80 1HG2 VAL 80 -12.880 -16.103 2.627 627 2HG2 VAL 80 2HG2 VAL 80 -12.455 -16.844 4.188 628 3HG2 VAL 80 3HG2 VAL 80 -11.172 -16.248 3.108 629 H GLN 81 H GLN 81 -13.987 -18.882 -0.403 630 HA GLN 81 HA GLN 81 -14.107 -21.740 -0.269 631 1HB GLN 81 1HB GLN 81 -15.723 -20.362 -1.622 632 2HB GLN 81 2HB GLN 81 -14.403 -19.881 -2.670 633 1HG GLN 81 1HG GLN 81 -13.994 -22.496 -2.902 634 2HG GLN 81 2HG GLN 81 -15.646 -22.624 -2.335 635 1HE2 GLN 81 2HE2 GLN 81 -17.202 -21.499 -5.251 636 2HE2 GLN 81 1HE2 GLN 81 -17.341 -21.916 -3.575 637 H SER 82 H SER 82 -11.949 -19.158 -1.480 638 HA SER 82 HA SER 82 -9.699 -20.655 -1.340 639 1HB SER 82 1HB SER 82 -9.231 -21.038 -3.835 640 2HB SER 82 2HB SER 82 -10.361 -22.143 -3.076 641 HG SER 82 HG SER 82 -11.124 -21.340 -5.150 642 H MET 83 H MET 83 -8.358 -18.933 -0.950 643 HA MET 83 HA MET 83 -8.940 -16.423 -2.162 644 1HB MET 83 1HB MET 83 -8.151 -16.528 0.172 645 2HB MET 83 2HB MET 83 -6.731 -17.441 -0.297 646 1HG MET 83 1HG MET 83 -6.074 -15.408 -1.760 647 2HG MET 83 2HG MET 83 -7.347 -14.525 -0.943 648 1HE MET 83 1HE MET 83 -4.078 -16.162 -0.961 649 2HE MET 83 2HE MET 83 -3.654 -14.446 -0.753 650 3HE MET 83 3HE MET 83 -3.244 -15.625 0.516 651 H ASP 84 H ASP 84 -7.489 -15.176 -3.527 652 HA ASP 84 HA ASP 84 -5.317 -16.694 -4.681 653 1HB ASP 84 1HB ASP 84 -7.732 -15.597 -6.144 654 2HB ASP 84 2HB ASP 84 -6.187 -15.647 -6.970 655 H VAL 85 H VAL 85 -4.434 -14.924 -6.614 656 HA VAL 85 HA VAL 85 -4.208 -12.387 -5.147 657 HB VAL 85 HB VAL 85 -2.185 -13.901 -5.301 658 1HG1 VAL 85 1HG1 VAL 85 -2.825 -14.302 -7.866 659 2HG1 VAL 85 2HG1 VAL 85 -1.729 -12.915 -8.082 660 3HG1 VAL 85 3HG1 VAL 85 -1.147 -14.393 -7.278 661 1HG2 VAL 85 3HG2 VAL 85 -2.376 -11.218 -5.172 662 2HG2 VAL 85 1HG2 VAL 85 -0.821 -12.085 -5.175 663 3HG2 VAL 85 2HG2 VAL 85 -1.446 -11.371 -6.681 664 H ALA 86 H ALA 86 -4.971 -10.594 -6.154 665 HA ALA 86 HA ALA 86 -5.977 -10.924 -8.848 666 1HB ALA 86 1HB ALA 86 -6.675 -9.436 -6.505 667 2HB ALA 86 2HB ALA 86 -6.320 -8.271 -7.803 668 3HB ALA 86 3HB ALA 86 -7.549 -9.533 -8.053 669 H ALA 87 H ALA 87 -3.170 -9.699 -7.176 670 HA ALA 87 HA ALA 87 -1.806 -9.169 -9.541 671 1HB ALA 87 2HB ALA 87 -3.541 -7.197 -9.351 672 2HB ALA 87 3HB ALA 87 -2.412 -6.578 -8.123 673 3HB ALA 87 1HB ALA 87 -1.852 -6.850 -9.790 674 H PHE 88 H PHE 88 0.383 -8.103 -9.029 675 HA PHE 88 HA PHE 88 1.054 -8.065 -6.228 676 1HB PHE 88 1HB PHE 88 1.208 -10.466 -7.683 677 2HB PHE 88 2HB PHE 88 2.817 -9.813 -7.911 678 HD1 PHE 88 2HD PHE 88 3.324 -8.520 -5.311 679 HD2 PHE 88 1HD PHE 88 1.473 -12.234 -6.201 680 HE1 PHE 88 2HE PHE 88 3.999 -9.396 -3.058 681 HE2 PHE 88 1HE PHE 88 2.149 -13.110 -3.948 682 HZ PHE 88 HZ PHE 88 3.404 -11.682 -2.403 683 H ASN 89 H ASN 89 1.606 -5.856 -6.660 684 HA ASN 89 HA ASN 89 4.157 -5.662 -8.011 685 1HB ASN 89 1HB ASN 89 1.612 -4.231 -8.749 686 2HB ASN 89 2HB ASN 89 3.073 -3.263 -8.761 687 1HD2 ASN 89 2HD2 ASN 89 4.709 -5.082 -11.375 688 2HD2 ASN 89 1HD2 ASN 89 4.981 -4.260 -9.874 689 H LYS 90 H LYS 90 5.017 -3.224 -7.548 690 HA LYS 90 HA LYS 90 4.877 -2.897 -4.717 691 1HB LYS 90 1HB LYS 90 6.967 -2.634 -5.995 692 2HB LYS 90 2HB LYS 90 6.287 -1.262 -6.845 693 1HG LYS 90 1HG LYS 90 6.587 0.154 -5.068 694 2HG LYS 90 2HG LYS 90 6.043 -1.035 -3.901 695 1HD LYS 90 1HD LYS 90 8.180 -1.951 -3.613 696 2HD LYS 90 2HD LYS 90 8.708 -1.508 -5.224 697 1HE LYS 90 1HE LYS 90 9.062 0.782 -4.613 698 2HE LYS 90 2HE LYS 90 8.100 0.636 -3.156 699 1HZ LYS 90 2HZ LYS 90 9.820 -1.000 -2.411 700 2HZ LYS 90 3HZ LYS 90 10.749 -0.509 -3.661 701 3HZ LYS 90 1HZ LYS 90 10.317 0.553 -2.498 702 H ILE 91 H ILE 91 4.521 -0.713 -3.760 703 HA ILE 91 HA ILE 91 2.082 0.493 -4.972 704 HB ILE 91 HB ILE 91 1.704 -0.578 -2.801 705 1HG1 ILE 91 1HG1 ILE 91 1.705 2.176 -1.808 706 2HG1 ILE 91 2HG1 ILE 91 1.118 2.080 -3.487 707 1HG2 ILE 91 1HG2 ILE 91 4.280 0.708 -2.227 708 2HG2 ILE 91 2HG2 ILE 91 3.066 1.031 -0.965 709 3HG2 ILE 91 3HG2 ILE 91 3.477 -0.646 -1.395 710 1HD1 ILE 91 1HD1 ILE 91 0.137 0.192 -1.319 711 2HD1 ILE 91 2HD1 ILE 91 -0.639 1.764 -1.628 712 3HD1 ILE 91 3HD1 ILE 91 -0.597 0.526 -2.906 No H/Q in entry = 712 Start of MODEL 18 1 1H MET 1 2HN MET 1 12.805 1.007 9.655 2 2H MET 1 3HN MET 1 13.182 2.396 10.473 3 3H MET 1 H MET 1 11.933 2.389 9.386 4 HA MET 1 HA MET 1 13.584 3.428 8.252 5 1HB MET 1 1HB MET 1 15.261 1.477 9.787 6 2HB MET 1 2HB MET 1 15.866 2.028 8.206 7 1HG MET 1 1HG MET 1 15.457 4.390 8.947 8 2HG MET 1 2HG MET 1 15.031 3.771 10.552 9 1HE MET 1 3HE MET 1 16.559 5.738 10.979 10 2HE MET 1 1HE MET 1 18.286 5.516 11.349 11 3HE MET 1 2HE MET 1 17.779 5.968 9.704 12 H LEU 2 H LEU 2 11.517 1.415 7.626 13 HA LEU 2 HA LEU 2 12.910 -0.166 5.595 14 1HB LEU 2 1HB LEU 2 10.510 -0.527 7.253 15 2HB LEU 2 2HB LEU 2 10.300 -0.981 5.574 16 HG LEU 2 HG LEU 2 12.675 -2.206 6.136 17 1HD1 LEU 2 3HD1 LEU 2 11.040 -2.268 8.685 18 2HD1 LEU 2 1HD1 LEU 2 12.399 -3.356 8.314 19 3HD1 LEU 2 2HD1 LEU 2 12.679 -1.604 8.472 20 1HD2 LEU 2 3HD2 LEU 2 10.506 -3.060 5.079 21 2HD2 LEU 2 1HD2 LEU 2 11.505 -4.230 5.977 22 3HD2 LEU 2 2HD2 LEU 2 10.040 -3.549 6.726 23 H VAL 3 H VAL 3 12.394 0.009 3.391 24 HA VAL 3 HA VAL 3 10.431 2.044 2.680 25 HB VAL 3 HB VAL 3 13.346 2.048 1.885 26 1HG1 VAL 3 1HG1 VAL 3 10.955 3.361 0.615 27 2HG1 VAL 3 2HG1 VAL 3 12.541 4.168 0.581 28 3HG1 VAL 3 3HG1 VAL 3 12.347 2.556 -0.148 29 1HG2 VAL 3 2HG2 VAL 3 11.603 4.103 3.285 30 2HG2 VAL 3 3HG2 VAL 3 12.910 3.139 4.014 31 3HG2 VAL 3 1HG2 VAL 3 13.289 4.361 2.776 32 H ALA 4 H ALA 4 9.607 1.792 0.508 33 HA ALA 4 HA ALA 4 9.308 0.729 -1.462 34 1HB ALA 4 3HB ALA 4 11.790 -0.063 -1.108 35 2HB ALA 4 1HB ALA 4 11.034 -1.601 -0.628 36 3HB ALA 4 2HB ALA 4 10.743 -0.936 -2.252 37 H LYS 5 H LYS 5 7.182 0.666 -0.342 38 HA LYS 5 HA LYS 5 6.563 -1.878 0.915 39 1HB LYS 5 1HB LYS 5 5.149 0.776 0.682 40 2HB LYS 5 2HB LYS 5 4.286 -0.663 1.184 41 1HG LYS 5 1HG LYS 5 6.904 -0.214 2.554 42 2HG LYS 5 2HG LYS 5 5.671 0.983 2.899 43 1HD LYS 5 1HD LYS 5 4.070 -0.926 3.441 44 2HD LYS 5 2HD LYS 5 5.412 -2.038 3.258 45 1HE LYS 5 1HE LYS 5 5.274 -1.563 5.611 46 2HE LYS 5 2HE LYS 5 6.666 -0.674 5.029 47 1HZ LYS 5 2HZ LYS 5 4.646 1.057 4.677 48 2HZ LYS 5 3HZ LYS 5 4.212 0.315 6.065 49 3HZ LYS 5 1HZ LYS 5 5.665 1.053 5.952 50 H SER 6 H SER 6 4.190 -2.691 0.235 51 HA SER 6 HA SER 6 3.827 -2.426 -2.603 52 1HB SER 6 1HB SER 6 3.664 -5.238 -2.109 53 2HB SER 6 2HB SER 6 4.762 -4.394 -3.183 54 HG SER 6 HG SER 6 5.230 -4.698 -0.341 55 H SER 7 H SER 7 1.636 -2.441 -3.067 56 HA SER 7 HA SER 7 -0.081 -3.244 -0.865 57 1HB SER 7 1HB SER 7 -1.465 -1.895 -3.046 58 2HB SER 7 2HB SER 7 -1.337 -1.427 -1.362 59 HG SER 7 HG SER 7 0.220 -0.024 -1.838 60 H ILE 8 H ILE 8 -0.380 -5.475 -1.172 61 HA ILE 8 HA ILE 8 -0.933 -6.448 -3.834 62 HB ILE 8 HB ILE 8 -0.648 -7.776 -1.141 63 1HG1 ILE 8 1HG1 ILE 8 1.221 -8.736 -3.022 64 2HG1 ILE 8 2HG1 ILE 8 1.199 -6.995 -3.229 65 1HG2 ILE 8 3HG2 ILE 8 -2.321 -8.858 -2.790 66 2HG2 ILE 8 1HG2 ILE 8 -0.874 -9.280 -3.737 67 3HG2 ILE 8 2HG2 ILE 8 -1.048 -9.869 -2.067 68 1HD1 ILE 8 2HD1 ILE 8 1.148 -7.231 -0.463 69 2HD1 ILE 8 3HD1 ILE 8 2.168 -8.608 -0.945 70 3HD1 ILE 8 1HD1 ILE 8 2.611 -6.956 -1.439 71 H LEU 9 H LEU 9 -2.914 -7.297 -4.560 72 HA LEU 9 HA LEU 9 -5.183 -6.643 -2.810 73 1HB LEU 9 1HB LEU 9 -4.962 -5.116 -4.710 74 2HB LEU 9 2HB LEU 9 -4.994 -6.470 -5.821 75 HG LEU 9 HG LEU 9 -7.305 -7.019 -4.952 76 1HD1 LEU 9 3HD1 LEU 9 -6.724 -5.314 -2.913 77 2HD1 LEU 9 1HD1 LEU 9 -7.699 -4.266 -3.971 78 3HD1 LEU 9 2HD1 LEU 9 -8.367 -5.809 -3.387 79 1HD2 LEU 9 2HD2 LEU 9 -6.448 -4.921 -6.750 80 2HD2 LEU 9 3HD2 LEU 9 -7.800 -6.070 -6.897 81 3HD2 LEU 9 1HD2 LEU 9 -8.028 -4.535 -6.027 82 H LEU 10 H LEU 10 -5.642 -8.604 -1.875 83 HA LEU 10 HA LEU 10 -5.594 -10.963 -3.562 84 1HB LEU 10 1HB LEU 10 -6.280 -10.771 -0.633 85 2HB LEU 10 2HB LEU 10 -5.829 -12.201 -1.542 86 HG LEU 10 HG LEU 10 -3.566 -11.043 -1.931 87 1HD1 LEU 10 2HD1 LEU 10 -4.842 -9.169 0.021 88 2HD1 LEU 10 3HD1 LEU 10 -3.099 -9.502 0.158 89 3HD1 LEU 10 1HD1 LEU 10 -3.762 -8.835 -1.354 90 1HD2 LEU 10 1HD2 LEU 10 -4.447 -12.024 0.792 91 2HD2 LEU 10 2HD2 LEU 10 -3.703 -12.960 -0.526 92 3HD2 LEU 10 3HD2 LEU 10 -2.749 -11.735 0.345 93 H ASP 11 H ASP 11 -7.371 -11.916 -4.446 94 HA ASP 11 HA ASP 11 -9.885 -10.600 -3.840 95 1HB ASP 11 1HB ASP 11 -8.858 -10.942 -6.248 96 2HB ASP 11 2HB ASP 11 -9.417 -12.595 -6.081 97 H VAL 12 H VAL 12 -10.688 -11.751 -2.013 98 HA VAL 12 HA VAL 12 -10.471 -14.630 -1.967 99 HB VAL 12 HB VAL 12 -11.739 -12.654 -0.059 100 1HG1 VAL 12 1HG1 VAL 12 -11.570 -15.614 -0.093 101 2HG1 VAL 12 2HG1 VAL 12 -11.144 -14.832 1.448 102 3HG1 VAL 12 3HG1 VAL 12 -12.736 -14.535 0.710 103 1HG2 VAL 12 1HG2 VAL 12 -9.035 -13.043 -0.626 104 2HG2 VAL 12 2HG2 VAL 12 -9.719 -12.266 0.821 105 3HG2 VAL 12 3HG2 VAL 12 -9.318 -14.000 0.847 106 H LYS 13 H LYS 13 -12.315 -16.069 -1.855 107 HA LYS 13 HA LYS 13 -14.742 -14.874 -2.998 108 1HB LYS 13 1HB LYS 13 -13.049 -16.482 -4.403 109 2HB LYS 13 2HB LYS 13 -14.123 -17.681 -3.711 110 1HG LYS 13 1HG LYS 13 -15.683 -17.157 -5.267 111 2HG LYS 13 2HG LYS 13 -15.806 -15.547 -4.583 112 1HD LYS 13 1HD LYS 13 -13.995 -14.730 -6.036 113 2HD LYS 13 2HD LYS 13 -13.688 -16.350 -6.632 114 1HE LYS 13 1HE LYS 13 -16.469 -15.911 -7.058 115 2HE LYS 13 2HE LYS 13 -15.688 -14.411 -7.523 116 1HZ LYS 13 1HZ LYS 13 -14.089 -16.282 -8.589 117 2HZ LYS 13 2HZ LYS 13 -15.561 -16.962 -8.773 118 3HZ LYS 13 3HZ LYS 13 -15.262 -15.484 -9.396 119 HA PRO 14 HA PRO 14 -16.467 -16.727 0.534 120 1HB PRO 14 1HB PRO 14 -19.061 -15.967 0.128 121 2HB PRO 14 2HB PRO 14 -17.866 -14.931 0.882 122 1HG PRO 14 1HG PRO 14 -18.984 -14.788 -1.851 123 2HG PRO 14 2HG PRO 14 -18.134 -13.551 -0.946 124 1HD PRO 14 1HD PRO 14 -17.070 -15.157 -3.070 125 2HD PRO 14 2HD PRO 14 -16.191 -14.003 -2.088 126 H TRP 15 H TRP 15 -17.431 -18.623 1.211 127 HA TRP 15 HA TRP 15 -17.580 -20.601 -0.728 128 1HB TRP 15 1HB TRP 15 -18.199 -20.330 2.140 129 2HB TRP 15 2HB TRP 15 -19.098 -21.584 1.311 130 HD1 TRP 15 HD TRP 15 -16.138 -21.449 3.279 131 HE1 TRP 15 1HE TRP 15 -14.300 -23.258 2.718 132 HE3 TRP 15 3HE TRP 15 -17.981 -22.666 -1.302 133 HZ2 TRP 15 2HZ TRP 15 -13.834 -24.957 0.472 134 HZ3 TRP 15 3HZ TRP 15 -16.775 -24.410 -2.613 135 HH2 TRP 15 HH TRP 15 -14.769 -25.542 -1.795 136 H ASP 16 H ASP 16 -19.892 -18.177 0.422 137 HA ASP 16 HA ASP 16 -21.553 -18.577 -1.746 138 1HB ASP 16 1HB ASP 16 -22.037 -20.513 0.181 139 2HB ASP 16 2HB ASP 16 -23.173 -19.267 0.657 140 H ASP 17 H ASP 17 -23.948 -17.473 -0.941 141 HA ASP 17 HA ASP 17 -23.210 -14.885 -0.241 142 1HB ASP 17 1HB ASP 17 -25.411 -14.360 -0.725 143 2HB ASP 17 2HB ASP 17 -25.345 -15.939 -1.484 144 H GLU 18 H GLU 18 -24.013 -17.770 1.578 145 HA GLU 18 HA GLU 18 -25.105 -16.565 3.841 146 1HB GLU 18 1HB GLU 18 -24.982 -18.703 4.826 147 2HB GLU 18 2HB GLU 18 -25.099 -19.059 3.114 148 1HG GLU 18 1HG GLU 18 -22.535 -19.155 3.058 149 2HG GLU 18 2HG GLU 18 -22.560 -19.041 4.806 150 H THR 19 H THR 19 -21.841 -16.797 2.590 151 HA THR 19 HA THR 19 -20.457 -16.580 5.048 152 HB THR 19 HB THR 19 -19.833 -16.084 2.105 153 HG1 THR 19 1HG THR 19 -18.764 -18.082 2.515 154 1HG2 THR 19 3HG2 THR 19 -18.178 -15.469 4.563 155 2HG2 THR 19 1HG2 THR 19 -17.373 -16.244 3.177 156 3HG2 THR 19 2HG2 THR 19 -18.169 -14.665 2.975 157 H ASP 20 H ASP 20 -20.734 -14.996 6.489 158 HA ASP 20 HA ASP 20 -21.911 -12.613 5.990 159 1HB ASP 20 1HB ASP 20 -20.510 -13.877 8.147 160 2HB ASP 20 2HB ASP 20 -19.826 -12.271 7.993 161 H MET 21 H MET 21 -21.124 -11.460 4.142 162 HA MET 21 HA MET 21 -18.433 -11.196 3.543 163 1HB MET 21 1HB MET 21 -20.815 -9.386 2.850 164 2HB MET 21 2HB MET 21 -19.274 -9.355 2.015 165 1HG MET 21 1HG MET 21 -20.987 -11.875 2.222 166 2HG MET 21 2HG MET 21 -21.126 -10.741 0.892 167 1HE MET 21 3HE MET 21 -19.302 -10.095 -0.690 168 2HE MET 21 1HE MET 21 -18.267 -11.383 -1.351 169 3HE MET 21 2HE MET 21 -20.033 -11.600 -1.300 170 H ALA 22 H ALA 22 -20.583 -9.392 5.716 171 HA ALA 22 HA ALA 22 -18.976 -7.072 5.900 172 1HB ALA 22 2HB ALA 22 -21.353 -8.261 7.227 173 2HB ALA 22 3HB ALA 22 -20.389 -7.159 8.239 174 3HB ALA 22 1HB ALA 22 -21.057 -6.589 6.690 175 H LYS 23 H LYS 23 -19.144 -10.206 7.661 176 HA LYS 23 HA LYS 23 -17.253 -9.405 9.626 177 1HB LYS 23 1HB LYS 23 -19.113 -11.298 9.598 178 2HB LYS 23 2HB LYS 23 -17.801 -12.278 8.975 179 1HG LYS 23 1HG LYS 23 -17.021 -12.519 11.089 180 2HG LYS 23 2HG LYS 23 -16.668 -10.804 11.127 181 1HD LYS 23 1HD LYS 23 -19.266 -10.575 11.671 182 2HD LYS 23 2HD LYS 23 -19.121 -12.254 12.148 183 1HE LYS 23 1HE LYS 23 -18.266 -11.592 14.141 184 2HE LYS 23 2HE LYS 23 -16.875 -10.930 13.307 185 1HZ LYS 23 3HZ LYS 23 -18.668 -9.040 12.873 186 2HZ LYS 23 1HZ LYS 23 -19.192 -9.578 14.324 187 3HZ LYS 23 2HZ LYS 23 -17.659 -9.039 14.157 188 H LEU 24 H LEU 24 -17.117 -11.479 6.652 189 HA LEU 24 HA LEU 24 -14.423 -12.088 6.832 190 1HB LEU 24 1HB LEU 24 -16.533 -12.621 5.126 191 2HB LEU 24 2HB LEU 24 -15.422 -11.724 4.111 192 HG LEU 24 HG LEU 24 -14.495 -14.080 5.753 193 1HD1 LEU 24 1HD1 LEU 24 -15.986 -14.082 3.149 194 2HD1 LEU 24 2HD1 LEU 24 -14.734 -15.308 3.461 195 3HD1 LEU 24 3HD1 LEU 24 -16.135 -15.169 4.550 196 1HD2 LEU 24 2HD2 LEU 24 -13.244 -12.215 3.965 197 2HD2 LEU 24 3HD2 LEU 24 -12.517 -13.535 4.914 198 3HD2 LEU 24 1HD2 LEU 24 -13.146 -13.855 3.279 199 H GLU 25 H GLU 25 -16.115 -9.228 5.454 200 HA GLU 25 HA GLU 25 -13.740 -8.144 4.396 201 1HB GLU 25 1HB GLU 25 -16.126 -7.647 3.639 202 2HB GLU 25 2HB GLU 25 -16.318 -6.672 5.083 203 1HG GLU 25 1HG GLU 25 -13.963 -5.637 4.137 204 2HG GLU 25 2HG GLU 25 -14.698 -6.129 2.624 205 H GLU 26 H GLU 26 -15.706 -7.558 7.380 206 HA GLU 26 HA GLU 26 -14.151 -5.467 8.313 207 1HB GLU 26 1HB GLU 26 -16.028 -7.450 9.623 208 2HB GLU 26 2HB GLU 26 -15.143 -6.303 10.608 209 1HG GLU 26 1HG GLU 26 -16.847 -5.478 8.213 210 2HG GLU 26 2HG GLU 26 -17.466 -5.538 9.851 211 H CYS 27 H CYS 27 -14.174 -8.952 9.382 212 HA CYS 27 HA CYS 27 -12.083 -8.865 11.086 213 1HB CYS 27 1HB CYS 27 -13.643 -10.835 10.326 214 2HB CYS 27 2HB CYS 27 -12.344 -11.203 9.207 215 HG CYS 27 HG CYS 27 -10.937 -12.328 10.733 216 H VAL 28 H VAL 28 -12.028 -9.299 7.485 217 HA VAL 28 HA VAL 28 -9.396 -9.742 7.057 218 HB VAL 28 HB VAL 28 -11.615 -8.450 5.603 219 1HG1 VAL 28 2HG1 VAL 28 -8.761 -7.717 5.106 220 2HG1 VAL 28 3HG1 VAL 28 -9.795 -8.038 3.694 221 3HG1 VAL 28 1HG1 VAL 28 -10.250 -6.772 4.859 222 1HG2 VAL 28 1HG2 VAL 28 -10.575 -10.935 5.637 223 2HG2 VAL 28 2HG2 VAL 28 -11.423 -10.253 4.229 224 3HG2 VAL 28 3HG2 VAL 28 -9.644 -10.248 4.285 225 H ARG 29 H ARG 29 -11.002 -6.581 7.739 226 HA ARG 29 HA ARG 29 -8.622 -5.137 7.428 227 1HB ARG 29 1HB ARG 29 -11.394 -4.586 7.931 228 2HB ARG 29 2HB ARG 29 -10.496 -3.811 9.222 229 1HG ARG 29 1HG ARG 29 -9.044 -2.672 7.548 230 2HG ARG 29 2HG ARG 29 -9.896 -3.475 6.244 231 1HD ARG 29 1HD ARG 29 -10.848 -1.256 6.446 232 2HD ARG 29 2HD ARG 29 -12.047 -2.379 7.056 233 HE ARG 29 HE ARG 29 -10.475 -0.448 8.646 234 1HH1 ARG 29 2HH2 ARG 29 -12.616 -3.242 8.682 235 2HH1 ARG 29 1HH2 ARG 29 -13.105 -3.005 10.327 236 1HH2 ARG 29 2HH1 ARG 29 -11.119 -0.138 10.816 237 2HH2 ARG 29 1HH1 ARG 29 -12.249 -1.229 11.549 238 H SER 30 H SER 30 -10.434 -6.505 10.240 239 HA SER 30 HA SER 30 -9.074 -5.383 12.279 240 1HB SER 30 1HB SER 30 -9.972 -7.076 13.626 241 2HB SER 30 2HB SER 30 -11.038 -7.116 12.237 242 HG SER 30 HG SER 30 -9.340 -9.074 13.196 243 H ILE 31 H ILE 31 -7.927 -7.695 9.895 244 HA ILE 31 HA ILE 31 -5.907 -8.957 11.288 245 HB ILE 31 HB ILE 31 -6.041 -8.124 8.388 246 1HG1 ILE 31 1HG1 ILE 31 -6.899 -10.669 9.795 247 2HG1 ILE 31 2HG1 ILE 31 -7.955 -9.471 9.071 248 1HG2 ILE 31 2HG2 ILE 31 -3.755 -8.826 9.483 249 2HG2 ILE 31 3HG2 ILE 31 -4.445 -10.462 9.362 250 3HG2 ILE 31 1HG2 ILE 31 -4.247 -9.468 7.898 251 1HD1 ILE 31 1HD1 ILE 31 -5.831 -11.036 7.532 252 2HD1 ILE 31 2HD1 ILE 31 -7.561 -11.454 7.581 253 3HD1 ILE 31 3HD1 ILE 31 -7.037 -9.923 6.838 254 H GLN 32 H GLN 32 -3.965 -8.346 12.119 255 HA GLN 32 HA GLN 32 -2.938 -5.780 11.212 256 1HB GLN 32 1HB GLN 32 -4.189 -5.661 13.467 257 2HB GLN 32 2HB GLN 32 -2.890 -6.630 14.134 258 1HG GLN 32 1HG GLN 32 -1.827 -4.647 14.503 259 2HG GLN 32 2HG GLN 32 -1.466 -4.669 12.788 260 1HE2 GLN 32 1HE2 GLN 32 -2.103 -2.538 14.845 261 2HE2 GLN 32 2HE2 GLN 32 -3.318 -1.542 14.116 262 H ALA 33 H ALA 33 -0.673 -5.676 11.012 263 HA ALA 33 HA ALA 33 0.972 -7.698 12.193 264 1HB ALA 33 3HB ALA 33 -0.190 -8.669 10.033 265 2HB ALA 33 1HB ALA 33 1.003 -7.661 9.179 266 3HB ALA 33 2HB ALA 33 1.550 -8.930 10.301 267 H ASP 34 H ASP 34 3.281 -7.222 11.837 268 HA ASP 34 HA ASP 34 3.736 -4.493 11.891 269 1HB ASP 34 1HB ASP 34 5.143 -6.679 12.653 270 2HB ASP 34 2HB ASP 34 5.953 -6.385 11.127 271 H GLY 35 H GLY 35 4.327 -3.034 10.230 272 1HA GLY 35 1HA GLY 35 4.865 -2.265 8.182 273 2HA GLY 35 2HA GLY 35 5.499 -3.849 7.778 274 H LEU 36 H LEU 36 2.297 -4.137 8.966 275 HA LEU 36 HA LEU 36 1.330 -4.389 6.214 276 1HB LEU 36 1HB LEU 36 1.289 -6.410 7.571 277 2HB LEU 36 2HB LEU 36 0.338 -5.598 8.798 278 HG LEU 36 HG LEU 36 -1.123 -5.281 6.414 279 1HD1 LEU 36 3HD1 LEU 36 0.588 -7.450 6.024 280 2HD1 LEU 36 1HD1 LEU 36 -0.968 -8.178 6.491 281 3HD1 LEU 36 2HD1 LEU 36 -0.887 -7.063 5.106 282 1HD2 LEU 36 2HD2 LEU 36 -1.395 -6.807 8.965 283 2HD2 LEU 36 3HD2 LEU 36 -2.410 -5.513 8.281 284 3HD2 LEU 36 1HD2 LEU 36 -2.529 -7.169 7.640 285 H VAL 37 H VAL 37 0.126 -2.754 5.431 286 HA VAL 37 HA VAL 37 -1.480 -1.255 7.386 287 HB VAL 37 HB VAL 37 0.356 -0.365 5.212 288 1HG1 VAL 37 1HG1 VAL 37 -2.297 0.914 5.861 289 2HG1 VAL 37 2HG1 VAL 37 -0.912 1.900 5.334 290 3HG1 VAL 37 3HG1 VAL 37 -1.544 0.615 4.275 291 1HG2 VAL 37 3HG2 VAL 37 -0.396 0.720 7.947 292 2HG2 VAL 37 1HG2 VAL 37 1.087 -0.164 7.515 293 3HG2 VAL 37 2HG2 VAL 37 0.794 1.459 6.848 294 H TRP 38 H TRP 38 -3.634 -0.951 6.883 295 HA TRP 38 HA TRP 38 -4.555 -2.406 4.534 296 1HB TRP 38 1HB TRP 38 -5.813 -1.501 7.100 297 2HB TRP 38 2HB TRP 38 -6.820 -1.856 5.711 298 HD1 TRP 38 HD TRP 38 -5.702 -3.582 8.659 299 HE1 TRP 38 1HE TRP 38 -5.627 -6.212 8.463 300 HE3 TRP 38 3HE TRP 38 -5.919 -3.734 3.582 301 HZ2 TRP 38 2HZ TRP 38 -5.667 -8.021 6.256 302 HZ3 TRP 38 3HZ TRP 38 -5.897 -5.972 2.485 303 HH2 TRP 38 HH TRP 38 -5.776 -8.068 3.736 304 H GLY 39 H GLY 39 -5.035 -1.301 2.685 305 1HA GLY 39 1HA GLY 39 -5.097 1.606 2.767 306 2HA GLY 39 2HA GLY 39 -5.055 0.572 1.352 307 H SER 40 H SER 40 -7.014 -0.314 0.478 308 HA SER 40 HA SER 40 -9.453 0.305 1.842 309 1HB SER 40 1HB SER 40 -8.431 1.994 -0.314 310 2HB SER 40 2HB SER 40 -9.954 1.263 -0.781 311 HG SER 40 HG SER 40 -9.907 2.271 1.849 312 H SER 41 H SER 41 -10.961 -1.300 1.406 313 HA SER 41 HA SER 41 -10.127 -3.291 -0.488 314 1HB SER 41 1HB SER 41 -11.940 -4.655 0.508 315 2HB SER 41 2HB SER 41 -10.875 -4.009 1.741 316 HG SER 41 HG SER 41 -12.515 -2.939 2.602 317 H LYS 42 H LYS 42 -11.844 -4.280 -1.987 318 HA LYS 42 HA LYS 42 -13.759 -2.236 -2.852 319 1HB LYS 42 1HB LYS 42 -12.353 -3.923 -4.890 320 2HB LYS 42 2HB LYS 42 -13.110 -2.352 -5.067 321 1HG LYS 42 1HG LYS 42 -11.138 -1.766 -3.226 322 2HG LYS 42 2HG LYS 42 -10.357 -3.036 -4.145 323 1HD LYS 42 1HD LYS 42 -11.689 -0.611 -5.436 324 2HD LYS 42 2HD LYS 42 -9.984 -0.672 -5.036 325 1HE LYS 42 1HE LYS 42 -10.655 -3.089 -6.481 326 2HE LYS 42 2HE LYS 42 -11.299 -1.725 -7.372 327 1HZ LYS 42 2HZ LYS 42 -9.028 -0.711 -6.996 328 2HZ LYS 42 3HZ LYS 42 -8.526 -2.213 -6.592 329 3HZ LYS 42 1HZ LYS 42 -9.129 -1.926 -8.082 330 H LEU 43 H LEU 43 -15.645 -3.116 -3.999 331 HA LEU 43 HA LEU 43 -16.045 -5.961 -3.389 332 1HB LEU 43 1HB LEU 43 -17.585 -3.593 -2.564 333 2HB LEU 43 2HB LEU 43 -18.551 -4.887 -3.246 334 HG LEU 43 HG LEU 43 -18.442 -5.052 -0.821 335 1HD1 LEU 43 3HD1 LEU 43 -17.678 -7.144 -2.652 336 2HD1 LEU 43 1HD1 LEU 43 -16.933 -7.415 -1.058 337 3HD1 LEU 43 2HD1 LEU 43 -18.698 -7.224 -1.195 338 1HD2 LEU 43 1HD2 LEU 43 -15.893 -4.118 -1.007 339 2HD2 LEU 43 2HD2 LEU 43 -16.593 -4.882 0.440 340 3HD2 LEU 43 3HD2 LEU 43 -15.605 -5.845 -0.686 341 H VAL 44 H VAL 44 -17.362 -7.138 -4.889 342 HA VAL 44 HA VAL 44 -18.264 -5.732 -7.244 343 HB VAL 44 HB VAL 44 -15.804 -7.381 -7.143 344 1HG1 VAL 44 2HG1 VAL 44 -17.963 -7.769 -9.208 345 2HG1 VAL 44 3HG1 VAL 44 -16.247 -7.926 -9.655 346 3HG1 VAL 44 1HG1 VAL 44 -16.939 -8.979 -8.398 347 1HG2 VAL 44 3HG2 VAL 44 -15.738 -4.976 -7.621 348 2HG2 VAL 44 1HG2 VAL 44 -15.164 -5.924 -9.015 349 3HG2 VAL 44 2HG2 VAL 44 -16.799 -5.218 -9.030 350 HA PRO 45 HA PRO 45 -21.174 -8.909 -6.742 351 1HB PRO 45 1HB PRO 45 -22.739 -8.395 -8.923 352 2HB PRO 45 2HB PRO 45 -22.892 -7.528 -7.408 353 1HG PRO 45 1HG PRO 45 -21.683 -6.622 -9.949 354 2HG PRO 45 2HG PRO 45 -22.225 -5.661 -8.587 355 1HD PRO 45 1HD PRO 45 -19.513 -6.315 -9.258 356 2HD PRO 45 2HD PRO 45 -20.062 -5.453 -7.833 357 H VAL 46 H VAL 46 -21.430 -11.047 -7.181 358 HA VAL 46 HA VAL 46 -20.708 -11.928 -9.823 359 HB VAL 46 HB VAL 46 -18.967 -12.370 -7.421 360 1HG1 VAL 46 2HG1 VAL 46 -19.781 -14.413 -9.350 361 2HG1 VAL 46 3HG1 VAL 46 -18.019 -14.158 -9.323 362 3HG1 VAL 46 1HG1 VAL 46 -18.882 -14.573 -7.822 363 1HG2 VAL 46 1HG2 VAL 46 -18.686 -11.317 -10.186 364 2HG2 VAL 46 2HG2 VAL 46 -17.871 -10.830 -8.680 365 3HG2 VAL 46 3HG2 VAL 46 -17.322 -12.275 -9.563 366 H GLY 47 H GLY 47 -22.071 -13.559 -10.360 367 1HA GLY 47 1HA GLY 47 -23.323 -15.440 -10.103 368 2HA GLY 47 2HA GLY 47 -22.870 -15.527 -8.413 369 H TYR 48 H TYR 48 -24.992 -15.897 -7.622 370 HA TYR 48 HA TYR 48 -26.820 -13.619 -7.988 371 1HB TYR 48 1HB TYR 48 -27.031 -16.456 -8.461 372 2HB TYR 48 2HB TYR 48 -27.944 -16.167 -6.994 373 HD1 TYR 48 1HD TYR 48 -29.795 -14.380 -7.056 374 HD2 TYR 48 2HD TYR 48 -27.958 -15.967 -10.578 375 HE1 TYR 48 1HE TYR 48 -31.772 -13.594 -8.449 376 HE2 TYR 48 2HE TYR 48 -29.940 -15.177 -11.960 377 HH TYR 48 HH TYR 48 -31.855 -14.190 -11.955 378 H GLY 49 H GLY 49 -26.658 -12.353 -6.188 379 1HA GLY 49 1HA GLY 49 -27.066 -11.826 -4.013 380 2HA GLY 49 2HA GLY 49 -27.337 -13.517 -3.640 381 H ILE 50 H ILE 50 -24.469 -13.453 -5.379 382 HA ILE 50 HA ILE 50 -22.932 -13.430 -2.887 383 HB ILE 50 HB ILE 50 -22.654 -14.862 -5.503 384 1HG1 ILE 50 1HG1 ILE 50 -22.058 -16.249 -2.992 385 2HG1 ILE 50 2HG1 ILE 50 -23.672 -15.566 -3.020 386 1HG2 ILE 50 3HG2 ILE 50 -20.437 -14.449 -3.479 387 2HG2 ILE 50 1HG2 ILE 50 -20.401 -15.591 -4.843 388 3HG2 ILE 50 2HG2 ILE 50 -20.478 -13.840 -5.151 389 1HD1 ILE 50 3HD1 ILE 50 -22.517 -17.281 -5.266 390 2HD1 ILE 50 1HD1 ILE 50 -23.555 -17.901 -3.960 391 3HD1 ILE 50 2HD1 ILE 50 -24.197 -16.712 -5.118 392 H LYS 51 H LYS 51 -20.649 -12.564 -3.067 393 HA LYS 51 HA LYS 51 -20.342 -10.551 -5.135 394 1HB LYS 51 1HB LYS 51 -20.664 -9.933 -2.200 395 2HB LYS 51 2HB LYS 51 -19.716 -8.892 -3.244 396 1HG LYS 51 1HG LYS 51 -21.682 -7.879 -3.781 397 2HG LYS 51 2HG LYS 51 -22.015 -9.291 -4.764 398 1HD LYS 51 1HD LYS 51 -23.762 -9.827 -3.428 399 2HD LYS 51 2HD LYS 51 -22.679 -9.989 -2.059 400 1HE LYS 51 1HE LYS 51 -22.825 -7.488 -1.696 401 2HE LYS 51 2HE LYS 51 -23.987 -7.393 -3.004 402 1HZ LYS 51 2HZ LYS 51 -24.703 -9.390 -1.147 403 2HZ LYS 51 3HZ LYS 51 -24.533 -7.946 -0.404 404 3HZ LYS 51 1HZ LYS 51 -25.565 -8.102 -1.660 405 H LYS 52 H LYS 52 -18.066 -9.502 -4.887 406 HA LYS 52 HA LYS 52 -16.251 -11.710 -4.337 407 1HB LYS 52 1HB LYS 52 -16.452 -9.778 -6.384 408 2HB LYS 52 2HB LYS 52 -15.013 -9.356 -5.478 409 1HG LYS 52 1HG LYS 52 -14.307 -11.812 -5.624 410 2HG LYS 52 2HG LYS 52 -15.658 -12.074 -6.710 411 1HD LYS 52 1HD LYS 52 -14.723 -10.227 -8.202 412 2HD LYS 52 2HD LYS 52 -13.313 -10.171 -7.162 413 1HE LYS 52 1HE LYS 52 -12.516 -11.703 -8.699 414 2HE LYS 52 2HE LYS 52 -13.319 -12.832 -7.627 415 1HZ LYS 52 2HZ LYS 52 -14.762 -11.601 -9.851 416 2HZ LYS 52 3HZ LYS 52 -13.854 -12.939 -10.076 417 3HZ LYS 52 1HZ LYS 52 -15.120 -12.975 -9.045 418 H LEU 53 H LEU 53 -14.697 -11.681 -2.741 419 HA LEU 53 HA LEU 53 -14.870 -9.393 -0.922 420 1HB LEU 53 1HB LEU 53 -14.945 -12.199 -0.545 421 2HB LEU 53 2HB LEU 53 -13.441 -11.632 0.153 422 HG LEU 53 HG LEU 53 -15.497 -11.769 1.670 423 1HD1 LEU 53 2HD1 LEU 53 -13.479 -9.621 1.460 424 2HD1 LEU 53 3HD1 LEU 53 -14.867 -9.274 2.520 425 3HD1 LEU 53 1HD1 LEU 53 -13.866 -10.717 2.807 426 1HD2 LEU 53 3HD2 LEU 53 -16.893 -10.531 -0.159 427 2HD2 LEU 53 1HD2 LEU 53 -17.195 -10.214 1.565 428 3HD2 LEU 53 2HD2 LEU 53 -16.236 -9.064 0.605 429 H GLN 54 H GLN 54 -13.521 -8.267 -2.675 430 HA GLN 54 HA GLN 54 -10.761 -9.133 -2.564 431 1HB GLN 54 1HB GLN 54 -11.459 -8.698 -4.801 432 2HB GLN 54 2HB GLN 54 -12.303 -7.230 -4.352 433 1HG GLN 54 1HG GLN 54 -10.251 -6.022 -4.004 434 2HG GLN 54 2HG GLN 54 -9.294 -7.490 -3.981 435 1HE2 GLN 54 2HE2 GLN 54 -9.204 -7.986 -7.490 436 2HE2 GLN 54 1HE2 GLN 54 -9.168 -8.765 -5.944 437 H ILE 55 H ILE 55 -9.082 -7.835 -1.707 438 HA ILE 55 HA ILE 55 -9.755 -5.211 -0.709 439 HB ILE 55 HB ILE 55 -9.598 -5.584 1.519 440 1HG1 ILE 55 1HG1 ILE 55 -7.350 -6.690 1.322 441 2HG1 ILE 55 2HG1 ILE 55 -8.356 -7.268 2.636 442 1HG2 ILE 55 1HG2 ILE 55 -10.694 -8.212 0.484 443 2HG2 ILE 55 2HG2 ILE 55 -10.902 -7.589 2.138 444 3HG2 ILE 55 3HG2 ILE 55 -11.602 -6.707 0.760 445 1HD1 ILE 55 1HD1 ILE 55 -8.108 -8.630 -0.087 446 2HD1 ILE 55 2HD1 ILE 55 -7.267 -9.141 1.397 447 3HD1 ILE 55 3HD1 ILE 55 -9.042 -9.232 1.304 448 H GLN 56 H GLN 56 -7.841 -3.959 -0.173 449 HA GLN 56 HA GLN 56 -5.445 -5.218 -1.266 450 1HB GLN 56 1HB GLN 56 -6.451 -3.371 -2.672 451 2HB GLN 56 2HB GLN 56 -6.173 -2.257 -1.347 452 1HG GLN 56 1HG GLN 56 -3.816 -2.385 -1.551 453 2HG GLN 56 2HG GLN 56 -3.868 -3.931 -2.376 454 1HE2 GLN 56 2HE2 GLN 56 -3.220 -2.208 -5.332 455 2HE2 GLN 56 1HE2 GLN 56 -2.680 -3.316 -4.114 456 H CYS 57 H CYS 57 -3.459 -4.907 -0.156 457 HA CYS 57 HA CYS 57 -3.781 -3.641 2.468 458 1HB CYS 57 1HB CYS 57 -3.211 -6.292 2.001 459 2HB CYS 57 2HB CYS 57 -1.606 -5.615 2.188 460 HG CYS 57 HG CYS 57 -1.662 -4.991 4.515 461 H VAL 58 H VAL 58 -1.013 -3.615 3.153 462 HA VAL 58 HA VAL 58 0.400 -2.377 0.961 463 HB VAL 58 HB VAL 58 -0.426 -0.840 3.430 464 1HG1 VAL 58 2HG1 VAL 58 2.009 -0.649 2.120 465 2HG1 VAL 58 3HG1 VAL 58 1.034 0.634 1.363 466 3HG1 VAL 58 1HG1 VAL 58 1.257 0.611 3.129 467 1HG2 VAL 58 1HG2 VAL 58 -1.130 -0.626 0.501 468 2HG2 VAL 58 2HG2 VAL 58 -2.212 -0.714 1.912 469 3HG2 VAL 58 3HG2 VAL 58 -1.274 0.766 1.601 470 H VAL 59 H VAL 59 1.212 -4.695 1.793 471 HA VAL 59 HA VAL 59 2.831 -4.476 4.172 472 HB VAL 59 HB VAL 59 3.163 -6.767 3.952 473 1HG1 VAL 59 3HG1 VAL 59 0.760 -6.035 4.325 474 2HG1 VAL 59 1HG1 VAL 59 0.466 -6.427 2.615 475 3HG1 VAL 59 2HG1 VAL 59 0.985 -7.702 3.743 476 1HG2 VAL 59 3HG2 VAL 59 3.992 -6.697 1.605 477 2HG2 VAL 59 1HG2 VAL 59 2.900 -8.066 1.925 478 3HG2 VAL 59 2HG2 VAL 59 2.304 -6.640 1.043 479 H GLU 60 H GLU 60 5.205 -5.113 4.053 480 HA GLU 60 HA GLU 60 6.383 -3.489 2.010 481 1HB GLU 60 1HB GLU 60 7.009 -4.163 4.692 482 2HB GLU 60 2HB GLU 60 8.290 -4.878 3.733 483 1HG GLU 60 1HG GLU 60 7.393 -2.002 3.289 484 2HG GLU 60 2HG GLU 60 8.587 -2.408 4.506 485 H ASP 61 H ASP 61 8.131 -4.227 0.583 486 HA ASP 61 HA ASP 61 7.559 -6.836 -0.389 487 1HB ASP 61 1HB ASP 61 8.330 -4.531 -1.593 488 2HB ASP 61 2HB ASP 61 9.916 -5.242 -1.375 489 H ASP 62 H ASP 62 9.260 -5.844 2.232 490 HA ASP 62 HA ASP 62 11.133 -8.027 1.961 491 1HB ASP 62 1HB ASP 62 12.297 -5.822 1.401 492 2HB ASP 62 2HB ASP 62 11.935 -5.280 3.028 493 H LYS 63 H LYS 63 8.524 -7.385 3.395 494 HA LYS 63 HA LYS 63 9.511 -7.837 6.116 495 1HB LYS 63 1HB LYS 63 8.808 -5.483 5.921 496 2HB LYS 63 2HB LYS 63 7.230 -5.989 5.354 497 1HG LYS 63 1HG LYS 63 6.632 -5.947 7.557 498 2HG LYS 63 2HG LYS 63 7.454 -7.492 7.660 499 1HD LYS 63 1HD LYS 63 9.405 -5.333 7.847 500 2HD LYS 63 2HD LYS 63 8.126 -5.070 9.015 501 1HE LYS 63 1HE LYS 63 8.709 -6.908 10.272 502 2HE LYS 63 2HE LYS 63 9.059 -7.891 8.865 503 1HZ LYS 63 2HZ LYS 63 10.815 -5.711 9.741 504 2HZ LYS 63 3HZ LYS 63 11.001 -7.256 10.239 505 3HZ LYS 63 1HZ LYS 63 11.153 -6.884 8.656 506 H VAL 64 H VAL 64 6.109 -7.496 5.108 507 HA VAL 64 HA VAL 64 5.831 -10.384 5.555 508 HB VAL 64 HB VAL 64 3.913 -8.081 5.944 509 1HG1 VAL 64 1HG1 VAL 64 3.448 -11.069 6.196 510 2HG1 VAL 64 2HG1 VAL 64 2.358 -9.826 6.855 511 3HG1 VAL 64 3HG1 VAL 64 2.630 -9.932 5.099 512 1HG2 VAL 64 3HG2 VAL 64 5.786 -8.579 7.650 513 2HG2 VAL 64 1HG2 VAL 64 4.117 -8.439 8.254 514 3HG2 VAL 64 2HG2 VAL 64 4.852 -10.045 8.036 515 H GLY 65 H GLY 65 3.942 -11.377 4.277 516 1HA GLY 65 1HA GLY 65 3.702 -10.112 1.622 517 2HA GLY 65 2HA GLY 65 4.214 -11.781 1.781 518 H THR 66 H THR 66 2.245 -12.258 0.459 519 HA THR 66 HA THR 66 -0.320 -11.776 1.644 520 HB THR 66 HB THR 66 0.853 -12.967 -0.843 521 HG1 THR 66 1HG THR 66 -1.260 -11.743 -1.453 522 1HG2 THR 66 2HG2 THR 66 -1.929 -13.692 0.221 523 2HG2 THR 66 3HG2 THR 66 -1.402 -13.906 -1.466 524 3HG2 THR 66 1HG2 THR 66 -0.625 -14.842 -0.166 525 H ASP 67 H ASP 67 2.111 -14.356 1.732 526 HA ASP 67 HA ASP 67 0.776 -16.531 2.330 527 1HB ASP 67 1HB ASP 67 2.603 -16.717 4.325 528 2HB ASP 67 2HB ASP 67 3.027 -16.896 2.634 529 H MET 68 H MET 68 1.996 -14.514 5.103 530 HA MET 68 HA MET 68 0.503 -15.476 7.055 531 1HB MET 68 1HB MET 68 2.163 -13.323 6.757 532 2HB MET 68 2HB MET 68 0.644 -12.461 6.898 533 1HG MET 68 1HG MET 68 1.641 -14.539 8.908 534 2HG MET 68 2HG MET 68 1.801 -12.807 9.114 535 1HE MET 68 3HE MET 68 -0.146 -11.177 8.965 536 2HE MET 68 1HE MET 68 -1.169 -11.908 7.704 537 3HE MET 68 2HE MET 68 -1.848 -11.565 9.314 538 H LEU 69 H LEU 69 -0.548 -12.676 4.978 539 HA LEU 69 HA LEU 69 -3.022 -12.301 6.078 540 1HB LEU 69 1HB LEU 69 -1.884 -11.892 3.337 541 2HB LEU 69 2HB LEU 69 -3.586 -11.590 3.628 542 HG LEU 69 HG LEU 69 -1.280 -10.252 5.073 543 1HD1 LEU 69 1HD1 LEU 69 -1.731 -9.692 2.598 544 2HD1 LEU 69 2HD1 LEU 69 -3.209 -8.902 3.196 545 3HD1 LEU 69 3HD1 LEU 69 -1.615 -8.353 3.765 546 1HD2 LEU 69 2HD2 LEU 69 -3.984 -10.570 5.871 547 2HD2 LEU 69 3HD2 LEU 69 -2.712 -9.578 6.624 548 3HD2 LEU 69 1HD2 LEU 69 -3.768 -8.874 5.377 549 H GLU 70 H GLU 70 -2.237 -14.388 3.204 550 HA GLU 70 HA GLU 70 -4.726 -15.399 2.853 551 1HB GLU 70 1HB GLU 70 -2.916 -15.800 1.269 552 2HB GLU 70 2HB GLU 70 -2.010 -16.722 2.452 553 1HG GLU 70 1HG GLU 70 -4.092 -18.300 2.546 554 2HG GLU 70 2HG GLU 70 -4.612 -17.494 1.077 555 H GLU 71 H GLU 71 -2.068 -16.750 4.930 556 HA GLU 71 HA GLU 71 -3.605 -18.883 5.846 557 1HB GLU 71 1HB GLU 71 -1.063 -17.527 6.760 558 2HB GLU 71 2HB GLU 71 -1.800 -18.738 7.789 559 1HG GLU 71 1HG GLU 71 -0.105 -19.736 6.255 560 2HG GLU 71 2HG GLU 71 -1.700 -20.413 5.991 561 H GLN 72 H GLN 72 -3.930 -15.548 6.389 562 HA GLN 72 HA GLN 72 -4.949 -15.936 9.074 563 1HB GLN 72 1HB GLN 72 -3.413 -14.034 8.691 564 2HB GLN 72 2HB GLN 72 -4.477 -13.393 7.456 565 1HG GLN 72 1HG GLN 72 -5.778 -12.373 9.011 566 2HG GLN 72 2HG GLN 72 -6.014 -13.878 9.877 567 1HE2 GLN 72 2HE2 GLN 72 -4.466 -11.754 12.355 568 2HE2 GLN 72 1HE2 GLN 72 -5.974 -12.024 11.548 569 H ILE 73 H ILE 73 -5.928 -14.591 5.848 570 HA ILE 73 HA ILE 73 -8.649 -14.322 6.676 571 HB ILE 73 HB ILE 73 -7.481 -14.219 3.896 572 1HG1 ILE 73 1HG1 ILE 73 -7.967 -11.659 5.228 573 2HG1 ILE 73 2HG1 ILE 73 -6.732 -12.607 6.033 574 1HG2 ILE 73 1HG2 ILE 73 -10.054 -13.199 5.113 575 2HG2 ILE 73 2HG2 ILE 73 -9.425 -12.653 3.540 576 3HG2 ILE 73 3HG2 ILE 73 -9.848 -14.365 3.784 577 1HD1 ILE 73 1HD1 ILE 73 -5.780 -13.006 3.611 578 2HD1 ILE 73 2HD1 ILE 73 -6.780 -11.598 3.177 579 3HD1 ILE 73 3HD1 ILE 73 -5.499 -11.435 4.402 580 H THR 74 H THR 74 -7.033 -16.377 4.144 581 HA THR 74 HA THR 74 -9.214 -18.035 3.720 582 HB THR 74 HB THR 74 -6.686 -17.679 2.668 583 HG1 THR 74 1HG THR 74 -7.676 -19.067 1.210 584 1HG2 THR 74 2HG2 THR 74 -5.807 -19.255 4.545 585 2HG2 THR 74 3HG2 THR 74 -6.762 -20.532 3.755 586 3HG2 THR 74 1HG2 THR 74 -5.439 -19.734 2.871 587 H ALA 75 H ALA 75 -7.007 -17.872 6.436 588 HA ALA 75 HA ALA 75 -6.898 -20.362 7.414 589 1HB ALA 75 3HB ALA 75 -6.517 -17.790 8.375 590 2HB ALA 75 1HB ALA 75 -7.790 -18.424 9.445 591 3HB ALA 75 2HB ALA 75 -6.242 -19.289 9.294 592 H PHE 76 H PHE 76 -9.798 -18.362 7.000 593 HA PHE 76 HA PHE 76 -11.376 -20.260 8.534 594 1HB PHE 76 1HB PHE 76 -11.502 -17.459 7.529 595 2HB PHE 76 2HB PHE 76 -13.009 -18.312 7.261 596 HD1 PHE 76 1HD PHE 76 -13.350 -19.972 9.588 597 HD2 PHE 76 2HD PHE 76 -11.753 -16.049 9.334 598 HE1 PHE 76 1HE PHE 76 -14.012 -19.548 11.971 599 HE2 PHE 76 2HE PHE 76 -12.416 -15.625 11.717 600 HZ PHE 76 HZ PHE 76 -13.537 -17.380 13.007 601 H GLU 77 H GLU 77 -11.089 -22.104 7.072 602 HA GLU 77 HA GLU 77 -11.832 -21.870 4.377 603 1HB GLU 77 1HB GLU 77 -10.903 -23.961 6.212 604 2HB GLU 77 2HB GLU 77 -12.117 -24.577 5.109 605 1HG GLU 77 1HG GLU 77 -9.704 -22.953 4.183 606 2HG GLU 77 2HG GLU 77 -9.698 -24.703 4.272 607 H ASP 78 H ASP 78 -13.658 -21.763 7.233 608 HA ASP 78 HA ASP 78 -15.907 -23.174 6.151 609 1HB ASP 78 1HB ASP 78 -15.090 -22.887 8.682 610 2HB ASP 78 2HB ASP 78 -16.024 -21.406 8.603 611 H TYR 79 H TYR 79 -14.540 -20.395 5.262 612 HA TYR 79 HA TYR 79 -17.087 -19.107 4.708 613 1HB TYR 79 1HB TYR 79 -14.626 -17.892 6.111 614 2HB TYR 79 2HB TYR 79 -15.928 -16.911 5.469 615 HD1 TYR 79 1HD TYR 79 -18.360 -17.584 6.353 616 HD2 TYR 79 2HD TYR 79 -14.690 -18.480 8.359 617 HE1 TYR 79 1HE TYR 79 -19.612 -17.815 8.554 618 HE2 TYR 79 2HE TYR 79 -15.952 -18.708 10.554 619 HH TYR 79 HH TYR 79 -19.418 -18.006 10.720 620 H VAL 80 H VAL 80 -13.499 -19.207 4.333 621 HA VAL 80 HA VAL 80 -13.664 -17.720 1.869 622 HB VAL 80 HB VAL 80 -11.355 -19.116 3.238 623 1HG1 VAL 80 3HG1 VAL 80 -11.364 -18.430 0.652 624 2HG1 VAL 80 1HG1 VAL 80 -10.961 -16.840 1.345 625 3HG1 VAL 80 2HG1 VAL 80 -9.923 -18.247 1.683 626 1HG2 VAL 80 3HG2 VAL 80 -12.637 -16.455 3.612 627 2HG2 VAL 80 1HG2 VAL 80 -11.769 -17.487 4.773 628 3HG2 VAL 80 2HG2 VAL 80 -10.857 -16.497 3.607 629 H GLN 81 H GLN 81 -13.869 -18.568 -0.149 630 HA GLN 81 HA GLN 81 -14.150 -21.415 -0.302 631 1HB GLN 81 1HB GLN 81 -15.757 -19.869 -1.426 632 2HB GLN 81 2HB GLN 81 -14.466 -19.266 -2.445 633 1HG GLN 81 1HG GLN 81 -14.119 -21.835 -3.046 634 2HG GLN 81 2HG GLN 81 -15.760 -22.004 -2.453 635 1HE2 GLN 81 2HE2 GLN 81 -15.689 -21.348 -6.159 636 2HE2 GLN 81 1HE2 GLN 81 -14.902 -22.467 -5.097 637 H SER 82 H SER 82 -11.884 -18.848 -1.318 638 HA SER 82 HA SER 82 -9.713 -20.418 -1.427 639 1HB SER 82 1HB SER 82 -9.467 -20.534 -4.061 640 2HB SER 82 2HB SER 82 -10.311 -21.805 -3.196 641 HG SER 82 HG SER 82 -11.275 -20.058 -5.093 642 H MET 83 H MET 83 -8.268 -18.780 -1.049 643 HA MET 83 HA MET 83 -8.826 -16.177 -2.027 644 1HB MET 83 1HB MET 83 -7.731 -16.787 0.215 645 2HB MET 83 2HB MET 83 -6.300 -17.274 -0.671 646 1HG MET 83 1HG MET 83 -6.473 -14.835 -1.731 647 2HG MET 83 2HG MET 83 -7.451 -14.494 -0.318 648 1HE MET 83 2HE MET 83 -4.456 -15.767 -1.850 649 2HE MET 83 3HE MET 83 -3.190 -14.846 -1.002 650 3HE MET 83 1HE MET 83 -3.549 -16.520 -0.516 651 H ASP 84 H ASP 84 -7.426 -14.875 -3.418 652 HA ASP 84 HA ASP 84 -5.526 -16.419 -4.959 653 1HB ASP 84 1HB ASP 84 -7.976 -14.975 -5.999 654 2HB ASP 84 2HB ASP 84 -6.541 -15.033 -7.003 655 H VAL 85 H VAL 85 -4.712 -14.505 -6.795 656 HA VAL 85 HA VAL 85 -4.135 -12.155 -5.123 657 HB VAL 85 HB VAL 85 -2.398 -13.743 -7.008 658 1HG1 VAL 85 2HG1 VAL 85 -2.189 -11.305 -7.502 659 2HG1 VAL 85 3HG1 VAL 85 -1.725 -11.038 -5.803 660 3HG1 VAL 85 1HG1 VAL 85 -0.695 -12.032 -6.862 661 1HG2 VAL 85 3HG2 VAL 85 -2.261 -13.013 -4.074 662 2HG2 VAL 85 1HG2 VAL 85 -2.303 -14.630 -4.817 663 3HG2 VAL 85 2HG2 VAL 85 -0.851 -13.613 -4.979 664 H ALA 86 H ALA 86 -4.402 -10.132 -6.054 665 HA ALA 86 HA ALA 86 -5.523 -10.187 -8.771 666 1HB ALA 86 2HB ALA 86 -6.882 -9.454 -6.634 667 2HB ALA 86 3HB ALA 86 -5.950 -7.945 -6.801 668 3HB ALA 86 1HB ALA 86 -6.997 -8.497 -8.131 669 H ALA 87 H ALA 87 -2.935 -9.112 -6.692 670 HA ALA 87 HA ALA 87 -1.436 -8.136 -8.831 671 1HB ALA 87 3HB ALA 87 -3.258 -6.207 -7.559 672 2HB ALA 87 1HB ALA 87 -1.556 -5.689 -7.526 673 3HB ALA 87 2HB ALA 87 -2.338 -6.077 -9.077 674 H PHE 88 H PHE 88 0.735 -7.767 -8.177 675 HA PHE 88 HA PHE 88 1.306 -7.605 -5.364 676 1HB PHE 88 1HB PHE 88 0.941 -10.118 -6.419 677 2HB PHE 88 2HB PHE 88 2.607 -9.871 -6.903 678 HD1 PHE 88 1HD PHE 88 3.613 -8.332 -4.550 679 HD2 PHE 88 2HD PHE 88 1.116 -11.756 -4.763 680 HE1 PHE 88 1HE PHE 88 4.383 -9.036 -2.266 681 HE2 PHE 88 2HE PHE 88 1.885 -12.460 -2.480 682 HZ PHE 88 HZ PHE 88 3.510 -11.091 -1.259 683 H ASN 89 H ASN 89 2.279 -5.590 -6.046 684 HA ASN 89 HA ASN 89 4.946 -6.020 -6.980 685 1HB ASN 89 1HB ASN 89 2.824 -4.801 -8.679 686 2HB ASN 89 2HB ASN 89 4.255 -3.799 -8.532 687 1HD2 ASN 89 2HD2 ASN 89 4.211 -7.227 -10.743 688 2HD2 ASN 89 1HD2 ASN 89 2.857 -6.641 -9.837 689 H LYS 90 H LYS 90 5.866 -3.450 -7.245 690 HA LYS 90 HA LYS 90 5.513 -2.389 -4.623 691 1HB LYS 90 1HB LYS 90 7.084 -0.583 -5.657 692 2HB LYS 90 2HB LYS 90 7.692 -2.195 -5.343 693 1HG LYS 90 1HG LYS 90 6.432 -1.895 -8.018 694 2HG LYS 90 2HG LYS 90 7.843 -0.881 -7.785 695 1HD LYS 90 1HD LYS 90 8.973 -3.067 -6.839 696 2HD LYS 90 2HD LYS 90 7.657 -3.907 -7.635 697 1HE LYS 90 1HE LYS 90 8.471 -3.472 -9.746 698 2HE LYS 90 2HE LYS 90 8.993 -1.852 -9.328 699 1HZ LYS 90 3HZ LYS 90 10.407 -4.141 -8.211 700 2HZ LYS 90 1HZ LYS 90 10.723 -3.669 -9.742 701 3HZ LYS 90 2HZ LYS 90 10.960 -2.633 -8.502 702 H ILE 91 H ILE 91 4.522 -0.539 -3.983 703 HA ILE 91 HA ILE 91 3.005 0.999 -6.016 704 HB ILE 91 HB ILE 91 1.913 -0.469 -3.606 705 1HG1 ILE 91 1HG1 ILE 91 0.813 -0.068 -6.416 706 2HG1 ILE 91 2HG1 ILE 91 1.870 -1.427 -5.963 707 1HG2 ILE 91 2HG2 ILE 91 0.808 2.005 -4.994 708 2HG2 ILE 91 3HG2 ILE 91 -0.179 0.922 -3.984 709 3HG2 ILE 91 1HG2 ILE 91 1.187 1.810 -3.265 710 1HD1 ILE 91 2HD1 ILE 91 -0.744 -0.756 -4.552 711 2HD1 ILE 91 3HD1 ILE 91 -0.594 -1.966 -5.849 712 3HD1 ILE 91 1HD1 ILE 91 0.268 -2.200 -4.309 No H/Q in entry = 712 Start of MODEL 19 1 1H MET 1 H MET 1 16.539 -3.265 8.195 2 2H MET 1 2HN MET 1 17.741 -2.269 7.638 3 3H MET 1 3HN MET 1 17.512 -2.462 9.267 4 HA MET 1 HA MET 1 15.861 -1.049 9.400 5 1HB MET 1 1HB MET 1 17.451 -0.400 6.929 6 2HB MET 1 2HB MET 1 16.034 0.596 7.336 7 1HG MET 1 1HG MET 1 16.948 0.965 9.598 8 2HG MET 1 2HG MET 1 18.361 -0.022 9.191 9 1HE MET 1 1HE MET 1 20.021 1.627 9.926 10 2HE MET 1 2HE MET 1 20.190 3.307 9.361 11 3HE MET 1 3HE MET 1 18.839 2.857 10.429 12 H LEU 2 H LEU 2 13.893 -2.274 9.322 13 HA LEU 2 HA LEU 2 12.786 -3.456 7.155 14 1HB LEU 2 1HB LEU 2 11.865 -3.718 9.326 15 2HB LEU 2 2HB LEU 2 11.518 -2.007 9.472 16 HG LEU 2 HG LEU 2 10.198 -3.580 7.283 17 1HD1 LEU 2 2HD1 LEU 2 10.042 -4.446 9.916 18 2HD1 LEU 2 3HD1 LEU 2 8.582 -3.452 9.704 19 3HD1 LEU 2 1HD1 LEU 2 8.898 -4.815 8.603 20 1HD2 LEU 2 3HD2 LEU 2 9.798 -0.999 8.693 21 2HD2 LEU 2 1HD2 LEU 2 9.521 -1.442 6.992 22 3HD2 LEU 2 2HD2 LEU 2 8.330 -1.895 8.235 23 H VAL 3 H VAL 3 12.605 -2.686 5.119 24 HA VAL 3 HA VAL 3 11.042 -0.307 4.719 25 HB VAL 3 HB VAL 3 13.518 0.344 5.098 26 1HG1 VAL 3 2HG1 VAL 3 13.955 -1.542 3.123 27 2HG1 VAL 3 3HG1 VAL 3 14.053 -0.002 2.234 28 3HG1 VAL 3 1HG1 VAL 3 15.105 -0.286 3.642 29 1HG2 VAL 3 1HG2 VAL 3 11.425 1.442 3.609 30 2HG2 VAL 3 2HG2 VAL 3 12.895 2.278 4.165 31 3HG2 VAL 3 3HG2 VAL 3 12.843 1.558 2.538 32 H ALA 4 H ALA 4 10.912 0.067 2.176 33 HA ALA 4 HA ALA 4 10.649 -0.767 0.111 34 1HB ALA 4 1HB ALA 4 12.636 -2.328 0.802 35 2HB ALA 4 2HB ALA 4 11.368 -3.560 1.007 36 3HB ALA 4 3HB ALA 4 11.611 -2.788 -0.578 37 H LYS 5 H LYS 5 8.420 -0.219 0.607 38 HA LYS 5 HA LYS 5 6.795 -2.476 1.497 39 1HB LYS 5 1HB LYS 5 6.278 0.497 1.297 40 2HB LYS 5 2HB LYS 5 5.000 -0.663 1.594 41 1HG LYS 5 1HG LYS 5 7.443 -0.935 3.311 42 2HG LYS 5 2HG LYS 5 6.470 0.497 3.584 43 1HD LYS 5 1HD LYS 5 5.396 -2.365 3.587 44 2HD LYS 5 2HD LYS 5 5.775 -1.438 5.026 45 1HE LYS 5 1HE LYS 5 3.579 -0.918 2.987 46 2HE LYS 5 2HE LYS 5 3.412 -1.179 4.712 47 1HZ LYS 5 1HZ LYS 5 4.936 0.940 4.741 48 2HZ LYS 5 2HZ LYS 5 4.211 1.209 3.303 49 3HZ LYS 5 3HZ LYS 5 3.308 1.050 4.655 50 H SER 6 H SER 6 4.635 -2.746 0.306 51 HA SER 6 HA SER 6 4.670 -1.899 -2.413 52 1HB SER 6 1HB SER 6 5.688 -4.547 -1.662 53 2HB SER 6 2HB SER 6 4.308 -4.680 -2.735 54 HG SER 6 HG SER 6 6.295 -2.759 -3.419 55 H SER 7 H SER 7 2.664 -3.072 -3.587 56 HA SER 7 HA SER 7 0.578 -3.257 -1.555 57 1HB SER 7 1HB SER 7 -0.229 -1.421 -2.640 58 2HB SER 7 2HB SER 7 0.785 -1.686 -4.045 59 HG SER 7 HG SER 7 -1.806 -2.048 -3.958 60 H ILE 8 H ILE 8 -1.115 -4.848 -1.912 61 HA ILE 8 HA ILE 8 -0.751 -6.634 -4.170 62 HB ILE 8 HB ILE 8 -0.370 -7.422 -1.295 63 1HG1 ILE 8 1HG1 ILE 8 1.421 -8.812 -2.838 64 2HG1 ILE 8 2HG1 ILE 8 1.277 -7.317 -3.741 65 1HG2 ILE 8 2HG2 ILE 8 -1.845 -8.882 -3.303 66 2HG2 ILE 8 3HG2 ILE 8 -0.367 -9.761 -2.846 67 3HG2 ILE 8 1HG2 ILE 8 -1.541 -9.283 -1.596 68 1HD1 ILE 8 2HD1 ILE 8 1.625 -7.212 -0.734 69 2HD1 ILE 8 3HD1 ILE 8 3.035 -7.474 -1.789 70 3HD1 ILE 8 1HD1 ILE 8 2.061 -5.994 -1.956 71 H LEU 9 H LEU 9 -2.700 -7.236 -4.989 72 HA LEU 9 HA LEU 9 -5.028 -6.556 -3.347 73 1HB LEU 9 1HB LEU 9 -4.622 -5.448 -5.583 74 2HB LEU 9 2HB LEU 9 -4.919 -7.007 -6.328 75 HG LEU 9 HG LEU 9 -7.191 -7.020 -5.254 76 1HD1 LEU 9 3HD1 LEU 9 -6.136 -4.790 -3.846 77 2HD1 LEU 9 1HD1 LEU 9 -7.481 -4.205 -4.855 78 3HD1 LEU 9 2HD1 LEU 9 -7.745 -5.537 -3.704 79 1HD2 LEU 9 3HD2 LEU 9 -6.273 -5.696 -7.560 80 2HD2 LEU 9 1HD2 LEU 9 -7.918 -6.285 -7.217 81 3HD2 LEU 9 2HD2 LEU 9 -7.470 -4.611 -6.813 82 H LEU 10 H LEU 10 -5.860 -8.244 -2.244 83 HA LEU 10 HA LEU 10 -5.592 -10.892 -3.462 84 1HB LEU 10 1HB LEU 10 -6.161 -10.050 -0.617 85 2HB LEU 10 2HB LEU 10 -6.112 -11.709 -1.180 86 HG LEU 10 HG LEU 10 -3.680 -10.967 -2.009 87 1HD1 LEU 10 3HD1 LEU 10 -4.448 -8.953 0.070 88 2HD1 LEU 10 1HD1 LEU 10 -2.778 -9.564 0.022 89 3HD1 LEU 10 2HD1 LEU 10 -3.473 -8.762 -1.407 90 1HD2 LEU 10 1HD2 LEU 10 -4.699 -12.092 0.550 91 2HD2 LEU 10 2HD2 LEU 10 -3.630 -12.805 -0.681 92 3HD2 LEU 10 3HD2 LEU 10 -2.981 -11.629 0.486 93 H ASP 11 H ASP 11 -7.395 -12.198 -3.871 94 HA ASP 11 HA ASP 11 -9.945 -10.856 -3.439 95 1HB ASP 11 1HB ASP 11 -8.775 -11.238 -5.914 96 2HB ASP 11 2HB ASP 11 -9.723 -12.706 -5.771 97 H VAL 12 H VAL 12 -10.945 -12.157 -1.882 98 HA VAL 12 HA VAL 12 -10.575 -15.058 -2.141 99 HB VAL 12 HB VAL 12 -11.733 -14.446 0.337 100 1HG1 VAL 12 3HG1 VAL 12 -9.928 -16.155 -0.456 101 2HG1 VAL 12 1HG1 VAL 12 -8.772 -14.877 -0.011 102 3HG1 VAL 12 2HG1 VAL 12 -9.879 -15.544 1.214 103 1HG2 VAL 12 1HG2 VAL 12 -9.476 -12.522 -0.322 104 2HG2 VAL 12 2HG2 VAL 12 -11.156 -12.101 0.092 105 3HG2 VAL 12 3HG2 VAL 12 -10.098 -12.848 1.314 106 H LYS 13 H LYS 13 -12.310 -16.320 -2.646 107 HA LYS 13 HA LYS 13 -14.816 -14.930 -3.090 108 1HB LYS 13 1HB LYS 13 -13.430 -16.840 -4.516 109 2HB LYS 13 2HB LYS 13 -14.661 -17.800 -3.723 110 1HG LYS 13 1HG LYS 13 -16.420 -16.717 -4.811 111 2HG LYS 13 2HG LYS 13 -15.549 -15.203 -4.954 112 1HD LYS 13 1HD LYS 13 -14.340 -15.916 -6.856 113 2HD LYS 13 2HD LYS 13 -14.541 -17.615 -6.478 114 1HE LYS 13 1HE LYS 13 -17.113 -17.153 -6.851 115 2HE LYS 13 2HE LYS 13 -16.574 -15.699 -7.668 116 1HZ LYS 13 1HZ LYS 13 -15.508 -18.345 -8.342 117 2HZ LYS 13 2HZ LYS 13 -16.834 -17.726 -9.069 118 3HZ LYS 13 3HZ LYS 13 -15.394 -16.968 -9.213 119 HA PRO 14 HA PRO 14 -16.523 -16.458 0.582 120 1HB PRO 14 1HB PRO 14 -19.147 -15.837 0.139 121 2HB PRO 14 2HB PRO 14 -17.973 -14.675 0.721 122 1HG PRO 14 1HG PRO 14 -19.146 -14.929 -1.980 123 2HG PRO 14 2HG PRO 14 -18.320 -13.557 -1.266 124 1HD PRO 14 1HD PRO 14 -17.244 -15.399 -3.183 125 2HD PRO 14 2HD PRO 14 -16.385 -14.099 -2.382 126 H TRP 15 H TRP 15 -17.368 -18.288 1.518 127 HA TRP 15 HA TRP 15 -17.477 -20.515 -0.102 128 1HB TRP 15 1HB TRP 15 -17.830 -19.876 2.661 129 2HB TRP 15 2HB TRP 15 -19.125 -20.950 2.173 130 HD1 TRP 15 HD TRP 15 -16.214 -21.534 3.919 131 HE1 TRP 15 1HE TRP 15 -14.876 -23.743 3.377 132 HE3 TRP 15 3HE TRP 15 -18.356 -22.343 -0.622 133 HZ2 TRP 15 2HZ TRP 15 -14.863 -25.540 1.161 134 HZ3 TRP 15 3HZ TRP 15 -17.624 -24.348 -1.910 135 HH2 TRP 15 HH TRP 15 -15.941 -25.918 -1.088 136 H ASP 16 H ASP 16 -19.795 -17.949 0.455 137 HA ASP 16 HA ASP 16 -21.386 -18.510 -1.600 138 1HB ASP 16 1HB ASP 16 -22.176 -20.603 -0.847 139 2HB ASP 16 2HB ASP 16 -22.172 -20.113 0.836 140 H ASP 17 H ASP 17 -23.660 -17.362 -1.319 141 HA ASP 17 HA ASP 17 -23.403 -14.885 -0.469 142 1HB ASP 17 1HB ASP 17 -25.424 -15.293 -1.561 143 2HB ASP 17 2HB ASP 17 -25.750 -16.749 -0.644 144 H GLU 18 H GLU 18 -24.014 -17.783 1.520 145 HA GLU 18 HA GLU 18 -24.962 -16.591 3.801 146 1HB GLU 18 1HB GLU 18 -24.224 -18.636 4.953 147 2HB GLU 18 2HB GLU 18 -24.931 -19.035 3.401 148 1HG GLU 18 1HG GLU 18 -22.534 -19.006 2.442 149 2HG GLU 18 2HG GLU 18 -21.966 -18.919 4.097 150 H THR 19 H THR 19 -21.544 -17.331 2.825 151 HA THR 19 HA THR 19 -20.169 -16.582 5.012 152 HB THR 19 HB THR 19 -19.705 -16.169 2.031 153 HG1 THR 19 1HG THR 19 -19.724 -18.276 3.374 154 1HG2 THR 19 2HG2 THR 19 -17.887 -15.478 4.383 155 2HG2 THR 19 3HG2 THR 19 -17.225 -15.967 2.805 156 3HG2 THR 19 1HG2 THR 19 -18.223 -14.498 2.936 157 H ASP 20 H ASP 20 -20.787 -15.012 6.405 158 HA ASP 20 HA ASP 20 -22.012 -12.696 5.773 159 1HB ASP 20 1HB ASP 20 -20.703 -13.847 8.050 160 2HB ASP 20 2HB ASP 20 -20.092 -12.211 7.907 161 H MET 21 H MET 21 -21.204 -11.425 4.043 162 HA MET 21 HA MET 21 -18.477 -11.081 3.583 163 1HB MET 21 1HB MET 21 -20.903 -9.409 2.719 164 2HB MET 21 2HB MET 21 -19.311 -9.277 1.997 165 1HG MET 21 1HG MET 21 -19.536 -11.875 1.582 166 2HG MET 21 2HG MET 21 -21.247 -11.614 1.863 167 1HE MET 21 1HE MET 21 -18.447 -11.708 -0.101 168 2HE MET 21 2HE MET 21 -19.245 -11.790 -1.690 169 3HE MET 21 3HE MET 21 -18.394 -10.307 -1.197 170 H ALA 22 H ALA 22 -20.648 -9.634 5.870 171 HA ALA 22 HA ALA 22 -19.275 -7.126 6.047 172 1HB ALA 22 2HB ALA 22 -21.674 -8.401 7.097 173 2HB ALA 22 3HB ALA 22 -20.774 -7.568 8.387 174 3HB ALA 22 1HB ALA 22 -21.289 -6.670 6.938 175 H LYS 23 H LYS 23 -19.086 -10.363 7.509 176 HA LYS 23 HA LYS 23 -17.285 -9.421 9.567 177 1HB LYS 23 1HB LYS 23 -19.106 -11.240 9.807 178 2HB LYS 23 2HB LYS 23 -17.987 -12.295 8.969 179 1HG LYS 23 1HG LYS 23 -16.939 -10.677 11.294 180 2HG LYS 23 2HG LYS 23 -17.959 -12.059 11.646 181 1HD LYS 23 1HD LYS 23 -16.449 -13.538 10.335 182 2HD LYS 23 2HD LYS 23 -15.451 -12.163 9.902 183 1HE LYS 23 1HE LYS 23 -14.300 -12.314 11.853 184 2HE LYS 23 2HE LYS 23 -15.780 -12.200 12.786 185 1HZ LYS 23 3HZ LYS 23 -15.815 -14.707 11.760 186 2HZ LYS 23 1HZ LYS 23 -14.248 -14.487 12.162 187 3HZ LYS 23 2HZ LYS 23 -15.415 -14.301 13.290 188 H LEU 24 H LEU 24 -17.243 -11.153 6.435 189 HA LEU 24 HA LEU 24 -14.541 -11.944 6.621 190 1HB LEU 24 1HB LEU 24 -16.669 -12.488 4.986 191 2HB LEU 24 2HB LEU 24 -15.664 -11.500 3.943 192 HG LEU 24 HG LEU 24 -14.645 -13.946 5.409 193 1HD1 LEU 24 2HD1 LEU 24 -16.353 -13.775 3.077 194 2HD1 LEU 24 3HD1 LEU 24 -14.791 -14.529 2.677 195 3HD1 LEU 24 1HD1 LEU 24 -15.796 -15.201 3.984 196 1HD2 LEU 24 3HD2 LEU 24 -13.134 -11.983 4.456 197 2HD2 LEU 24 1HD2 LEU 24 -12.658 -13.693 4.321 198 3HD2 LEU 24 2HD2 LEU 24 -13.391 -12.861 2.929 199 H GLU 25 H GLU 25 -16.240 -9.043 5.341 200 HA GLU 25 HA GLU 25 -13.883 -7.957 4.248 201 1HB GLU 25 1HB GLU 25 -16.256 -7.413 3.537 202 2HB GLU 25 2HB GLU 25 -16.451 -6.510 5.027 203 1HG GLU 25 1HG GLU 25 -13.991 -5.624 3.839 204 2HG GLU 25 2HG GLU 25 -15.184 -5.672 2.556 205 H GLU 26 H GLU 26 -15.826 -7.269 7.239 206 HA GLU 26 HA GLU 26 -14.188 -5.272 8.183 207 1HB GLU 26 1HB GLU 26 -16.080 -7.227 9.523 208 2HB GLU 26 2HB GLU 26 -15.171 -6.078 10.484 209 1HG GLU 26 1HG GLU 26 -16.900 -5.259 8.105 210 2HG GLU 26 2HG GLU 26 -17.497 -5.301 9.752 211 H CYS 27 H CYS 27 -14.223 -8.809 9.041 212 HA CYS 27 HA CYS 27 -12.172 -8.833 10.805 213 1HB CYS 27 1HB CYS 27 -13.619 -10.776 10.165 214 2HB CYS 27 2HB CYS 27 -12.675 -10.962 8.700 215 HG CYS 27 HG CYS 27 -11.596 -10.969 11.834 216 H VAL 28 H VAL 28 -11.991 -9.205 7.188 217 HA VAL 28 HA VAL 28 -9.296 -9.464 6.910 218 HB VAL 28 HB VAL 28 -11.564 -8.551 5.292 219 1HG1 VAL 28 2HG1 VAL 28 -8.818 -7.421 4.845 220 2HG1 VAL 28 3HG1 VAL 28 -9.826 -7.850 3.442 221 3HG1 VAL 28 1HG1 VAL 28 -10.413 -6.661 4.628 222 1HG2 VAL 28 2HG2 VAL 28 -9.404 -10.566 5.235 223 2HG2 VAL 28 3HG2 VAL 28 -11.099 -10.679 4.702 224 3HG2 VAL 28 1HG2 VAL 28 -9.880 -9.930 3.642 225 H ARG 29 H ARG 29 -11.221 -6.505 7.548 226 HA ARG 29 HA ARG 29 -9.010 -4.804 7.163 227 1HB ARG 29 1HB ARG 29 -11.756 -4.463 7.380 228 2HB ARG 29 2HB ARG 29 -11.217 -3.853 8.932 229 1HG ARG 29 1HG ARG 29 -9.375 -2.689 7.216 230 2HG ARG 29 2HG ARG 29 -10.809 -2.724 6.210 231 1HD ARG 29 1HD ARG 29 -12.105 -1.611 8.074 232 2HD ARG 29 2HD ARG 29 -10.628 -1.514 9.012 233 HE ARG 29 HE ARG 29 -10.101 -0.361 6.459 234 1HH1 ARG 29 2HH2 ARG 29 -12.042 0.287 9.322 235 2HH1 ARG 29 1HH2 ARG 29 -12.030 2.005 9.098 236 1HH2 ARG 29 2HH1 ARG 29 -10.086 1.904 6.162 237 2HH2 ARG 29 1HH1 ARG 29 -10.910 2.931 7.288 238 H SER 30 H SER 30 -10.503 -6.542 9.910 239 HA SER 30 HA SER 30 -9.154 -5.116 11.906 240 1HB SER 30 1HB SER 30 -10.064 -6.704 13.411 241 2HB SER 30 2HB SER 30 -11.241 -6.622 12.114 242 HG SER 30 HG SER 30 -9.529 -8.735 12.869 243 H ILE 31 H ILE 31 -8.293 -7.754 9.723 244 HA ILE 31 HA ILE 31 -6.382 -9.124 11.054 245 HB ILE 31 HB ILE 31 -6.511 -8.195 8.194 246 1HG1 ILE 31 1HG1 ILE 31 -8.303 -9.661 8.747 247 2HG1 ILE 31 2HG1 ILE 31 -7.136 -10.589 7.827 248 1HG2 ILE 31 3HG2 ILE 31 -4.309 -9.531 9.603 249 2HG2 ILE 31 1HG2 ILE 31 -4.880 -10.397 8.156 250 3HG2 ILE 31 2HG2 ILE 31 -4.339 -8.705 8.027 251 1HD1 ILE 31 2HD1 ILE 31 -6.170 -11.100 10.303 252 2HD1 ILE 31 3HD1 ILE 31 -7.873 -10.796 10.726 253 3HD1 ILE 31 1HD1 ILE 31 -7.460 -12.079 9.564 254 H GLN 32 H GLN 32 -4.491 -8.681 12.062 255 HA GLN 32 HA GLN 32 -3.279 -6.114 11.384 256 1HB GLN 32 1HB GLN 32 -4.381 -6.788 13.827 257 2HB GLN 32 2HB GLN 32 -2.702 -7.225 14.080 258 1HG GLN 32 1HG GLN 32 -2.435 -4.776 12.813 259 2HG GLN 32 2HG GLN 32 -3.923 -4.536 13.706 260 1HE2 GLN 32 2HE2 GLN 32 -2.238 -3.766 16.615 261 2HE2 GLN 32 1HE2 GLN 32 -3.517 -3.474 15.484 262 H ALA 33 H ALA 33 -1.012 -6.061 11.102 263 HA ALA 33 HA ALA 33 0.575 -8.337 11.796 264 1HB ALA 33 1HB ALA 33 -0.659 -8.985 9.643 265 2HB ALA 33 2HB ALA 33 0.289 -7.711 8.840 266 3HB ALA 33 3HB ALA 33 1.116 -9.091 9.601 267 H ASP 34 H ASP 34 2.918 -7.943 10.991 268 HA ASP 34 HA ASP 34 3.519 -5.269 11.662 269 1HB ASP 34 1HB ASP 34 4.848 -7.554 12.029 270 2HB ASP 34 2HB ASP 34 5.523 -7.192 10.453 271 H GLY 35 H GLY 35 4.360 -3.619 10.250 272 1HA GLY 35 1HA GLY 35 4.688 -2.509 8.326 273 2HA GLY 35 2HA GLY 35 5.281 -4.012 7.648 274 H LEU 36 H LEU 36 2.042 -4.160 8.949 275 HA LEU 36 HA LEU 36 1.025 -4.348 6.226 276 1HB LEU 36 1HB LEU 36 0.395 -6.229 7.353 277 2HB LEU 36 2HB LEU 36 0.233 -5.407 8.892 278 HG LEU 36 HG LEU 36 -1.842 -4.275 7.925 279 1HD1 LEU 36 2HD1 LEU 36 -1.087 -6.032 5.666 280 2HD1 LEU 36 3HD1 LEU 36 -2.810 -6.031 6.111 281 3HD1 LEU 36 1HD1 LEU 36 -1.999 -4.504 5.690 282 1HD2 LEU 36 2HD2 LEU 36 -1.657 -7.219 8.539 283 2HD2 LEU 36 3HD2 LEU 36 -2.214 -5.883 9.575 284 3HD2 LEU 36 1HD2 LEU 36 -3.218 -6.431 8.211 285 H VAL 37 H VAL 37 -0.659 -3.055 5.424 286 HA VAL 37 HA VAL 37 -1.675 -0.979 7.191 287 HB VAL 37 HB VAL 37 0.123 -0.575 4.844 288 1HG1 VAL 37 3HG1 VAL 37 -2.303 1.093 5.481 289 2HG1 VAL 37 1HG1 VAL 37 -0.841 1.844 4.798 290 3HG1 VAL 37 2HG1 VAL 37 -1.683 0.555 3.903 291 1HG2 VAL 37 2HG2 VAL 37 -0.300 0.869 7.482 292 2HG2 VAL 37 3HG2 VAL 37 1.029 -0.240 7.066 293 3HG2 VAL 37 1HG2 VAL 37 0.894 1.334 6.246 294 H TRP 38 H TRP 38 -3.844 -1.173 7.031 295 HA TRP 38 HA TRP 38 -4.971 -2.388 4.669 296 1HB TRP 38 1HB TRP 38 -5.973 -1.617 7.382 297 2HB TRP 38 2HB TRP 38 -7.121 -1.864 6.082 298 HD1 TRP 38 HD TRP 38 -5.807 -3.797 8.795 299 HE1 TRP 38 1HE TRP 38 -5.792 -6.410 8.424 300 HE3 TRP 38 3HE TRP 38 -6.404 -3.612 3.748 301 HZ2 TRP 38 2HZ TRP 38 -6.027 -8.068 6.113 302 HZ3 TRP 38 3HZ TRP 38 -6.502 -5.773 2.511 303 HH2 TRP 38 HH TRP 38 -6.324 -7.948 3.612 304 H GLY 39 H GLY 39 -5.676 -1.225 2.928 305 1HA GLY 39 1HA GLY 39 -5.755 1.686 3.158 306 2HA GLY 39 2HA GLY 39 -5.752 0.730 1.689 307 H SER 40 H SER 40 -7.756 -0.488 1.099 308 HA SER 40 HA SER 40 -10.117 0.058 2.536 309 1HB SER 40 1HB SER 40 -9.453 1.710 0.102 310 2HB SER 40 2HB SER 40 -11.118 1.221 0.342 311 HG SER 40 HG SER 40 -11.326 2.658 1.916 312 H SER 41 H SER 41 -11.671 -1.499 1.998 313 HA SER 41 HA SER 41 -10.824 -3.362 -0.029 314 1HB SER 41 1HB SER 41 -12.653 -4.802 0.940 315 2HB SER 41 2HB SER 41 -11.430 -4.332 2.104 316 HG SER 41 HG SER 41 -12.851 -3.087 3.182 317 H LYS 42 H LYS 42 -12.409 -4.208 -1.651 318 HA LYS 42 HA LYS 42 -14.578 -2.314 -2.191 319 1HB LYS 42 1HB LYS 42 -13.781 -2.964 -4.706 320 2HB LYS 42 2HB LYS 42 -13.323 -1.498 -3.863 321 1HG LYS 42 1HG LYS 42 -11.259 -2.633 -3.012 322 2HG LYS 42 2HG LYS 42 -11.716 -4.097 -3.858 323 1HD LYS 42 1HD LYS 42 -11.333 -1.425 -5.280 324 2HD LYS 42 2HD LYS 42 -10.031 -2.578 -5.067 325 1HE LYS 42 1HE LYS 42 -10.924 -4.094 -6.587 326 2HE LYS 42 2HE LYS 42 -12.582 -3.674 -6.204 327 1HZ LYS 42 3HZ LYS 42 -10.965 -1.636 -7.467 328 2HZ LYS 42 1HZ LYS 42 -11.433 -2.894 -8.396 329 3HZ LYS 42 2HZ LYS 42 -12.553 -1.966 -7.653 330 H LEU 43 H LEU 43 -16.361 -3.240 -3.433 331 HA LEU 43 HA LEU 43 -16.396 -6.168 -3.192 332 1HB LEU 43 1HB LEU 43 -18.307 -4.066 -2.397 333 2HB LEU 43 2HB LEU 43 -19.014 -5.445 -3.216 334 HG LEU 43 HG LEU 43 -19.070 -5.679 -0.776 335 1HD1 LEU 43 3HD1 LEU 43 -17.397 -7.640 -2.344 336 2HD1 LEU 43 1HD1 LEU 43 -17.875 -7.937 -0.655 337 3HD1 LEU 43 2HD1 LEU 43 -19.121 -7.732 -1.909 338 1HD2 LEU 43 3HD2 LEU 43 -16.598 -4.511 -0.773 339 2HD2 LEU 43 1HD2 LEU 43 -17.337 -5.359 0.607 340 3HD2 LEU 43 2HD2 LEU 43 -16.197 -6.216 -0.457 341 H VAL 44 H VAL 44 -17.833 -7.276 -4.813 342 HA VAL 44 HA VAL 44 -18.391 -5.774 -7.205 343 HB VAL 44 HB VAL 44 -16.084 -7.656 -6.953 344 1HG1 VAL 44 3HG1 VAL 44 -18.061 -7.632 -9.176 345 2HG1 VAL 44 1HG1 VAL 44 -16.341 -7.625 -9.634 346 3HG1 VAL 44 2HG1 VAL 44 -16.984 -8.930 -8.609 347 1HG2 VAL 44 3HG2 VAL 44 -16.643 -4.946 -8.060 348 2HG2 VAL 44 1HG2 VAL 44 -15.224 -5.557 -7.174 349 3HG2 VAL 44 2HG2 VAL 44 -15.423 -5.932 -8.903 350 HA PRO 45 HA PRO 45 -21.378 -8.975 -6.564 351 1HB PRO 45 1HB PRO 45 -23.488 -7.650 -7.686 352 2HB PRO 45 2HB PRO 45 -23.073 -7.526 -5.988 353 1HG PRO 45 1HG PRO 45 -22.638 -5.559 -8.151 354 2HG PRO 45 2HG PRO 45 -22.628 -5.304 -6.418 355 1HD PRO 45 1HD PRO 45 -20.340 -5.475 -8.140 356 2HD PRO 45 2HD PRO 45 -20.329 -5.336 -6.394 357 H VAL 46 H VAL 46 -21.961 -10.728 -7.752 358 HA VAL 46 HA VAL 46 -21.353 -10.385 -10.602 359 HB VAL 46 HB VAL 46 -21.279 -12.777 -8.758 360 1HG1 VAL 46 1HG1 VAL 46 -21.940 -12.815 -11.486 361 2HG1 VAL 46 2HG1 VAL 46 -20.220 -13.266 -11.417 362 3HG1 VAL 46 3HG1 VAL 46 -21.421 -14.190 -10.483 363 1HG2 VAL 46 1HG2 VAL 46 -19.370 -10.846 -9.254 364 2HG2 VAL 46 2HG2 VAL 46 -19.053 -12.491 -8.656 365 3HG2 VAL 46 3HG2 VAL 46 -18.925 -12.137 -10.395 366 H GLY 47 H GLY 47 -23.431 -12.581 -8.580 367 1HA GLY 47 1HA GLY 47 -25.864 -11.626 -9.676 368 2HA GLY 47 2HA GLY 47 -25.336 -13.056 -10.540 369 H TYR 48 H TYR 48 -27.667 -13.390 -9.253 370 HA TYR 48 HA TYR 48 -28.700 -14.760 -7.844 371 1HB TYR 48 1HB TYR 48 -26.257 -15.928 -8.289 372 2HB TYR 48 2HB TYR 48 -26.047 -15.561 -6.588 373 HD1 TYR 48 1HD TYR 48 -27.698 -16.525 -4.908 374 HD2 TYR 48 2HD TYR 48 -27.552 -17.793 -8.992 375 HE1 TYR 48 1HE TYR 48 -28.956 -18.648 -4.301 376 HE2 TYR 48 2HE TYR 48 -28.811 -19.913 -8.371 377 HH TYR 48 HH TYR 48 -30.394 -20.606 -6.586 378 H GLY 49 H GLY 49 -25.708 -13.720 -6.049 379 1HA GLY 49 1HA GLY 49 -26.708 -11.737 -4.509 380 2HA GLY 49 2HA GLY 49 -27.269 -13.176 -3.682 381 H ILE 50 H ILE 50 -24.207 -12.736 -5.555 382 HA ILE 50 HA ILE 50 -22.751 -12.994 -3.024 383 HB ILE 50 HB ILE 50 -22.355 -14.569 -5.563 384 1HG1 ILE 50 1HG1 ILE 50 -22.414 -15.782 -2.838 385 2HG1 ILE 50 2HG1 ILE 50 -23.931 -15.183 -3.479 386 1HG2 ILE 50 3HG2 ILE 50 -20.447 -14.116 -3.264 387 2HG2 ILE 50 1HG2 ILE 50 -20.347 -15.530 -4.341 388 3HG2 ILE 50 2HG2 ILE 50 -20.164 -13.888 -5.007 389 1HD1 ILE 50 2HD1 ILE 50 -23.555 -16.523 -5.572 390 2HD1 ILE 50 3HD1 ILE 50 -22.066 -17.177 -4.847 391 3HD1 ILE 50 1HD1 ILE 50 -23.646 -17.537 -4.112 392 H LYS 51 H LYS 51 -20.518 -12.132 -3.133 393 HA LYS 51 HA LYS 51 -20.096 -10.319 -5.381 394 1HB LYS 51 1HB LYS 51 -20.155 -9.482 -2.467 395 2HB LYS 51 2HB LYS 51 -19.482 -8.505 -3.757 396 1HG LYS 51 1HG LYS 51 -21.559 -7.709 -4.185 397 2HG LYS 51 2HG LYS 51 -22.032 -9.313 -4.709 398 1HD LYS 51 1HD LYS 51 -22.221 -9.684 -2.021 399 2HD LYS 51 2HD LYS 51 -22.508 -7.957 -2.072 400 1HE LYS 51 1HE LYS 51 -24.162 -8.682 -4.092 401 2HE LYS 51 2HE LYS 51 -24.171 -10.195 -3.207 402 1HZ LYS 51 1HZ LYS 51 -24.631 -8.737 -1.206 403 2HZ LYS 51 2HZ LYS 51 -25.008 -7.558 -2.270 404 3HZ LYS 51 3HZ LYS 51 -25.851 -8.957 -2.267 405 H LYS 52 H LYS 52 -17.772 -9.337 -5.175 406 HA LYS 52 HA LYS 52 -16.046 -11.597 -4.554 407 1HB LYS 52 1HB LYS 52 -16.150 -9.618 -6.616 408 2HB LYS 52 2HB LYS 52 -14.639 -9.415 -5.753 409 1HG LYS 52 1HG LYS 52 -14.278 -11.940 -5.966 410 2HG LYS 52 2HG LYS 52 -15.686 -11.992 -7.009 411 1HD LYS 52 1HD LYS 52 -13.565 -9.965 -7.679 412 2HD LYS 52 2HD LYS 52 -13.176 -11.649 -7.971 413 1HE LYS 52 1HE LYS 52 -15.840 -10.583 -8.934 414 2HE LYS 52 2HE LYS 52 -14.395 -10.189 -9.844 415 1HZ LYS 52 1HZ LYS 52 -14.027 -12.755 -9.538 416 2HZ LYS 52 2HZ LYS 52 -15.657 -12.754 -9.456 417 3HZ LYS 52 3HZ LYS 52 -14.906 -12.152 -10.775 418 H LEU 53 H LEU 53 -14.785 -11.672 -2.769 419 HA LEU 53 HA LEU 53 -14.846 -9.377 -1.016 420 1HB LEU 53 1HB LEU 53 -14.788 -12.162 -0.706 421 2HB LEU 53 2HB LEU 53 -13.233 -11.603 -0.120 422 HG LEU 53 HG LEU 53 -15.028 -11.812 1.618 423 1HD1 LEU 53 1HD1 LEU 53 -13.800 -9.068 1.231 424 2HD1 LEU 53 2HD1 LEU 53 -14.483 -9.691 2.752 425 3HD1 LEU 53 3HD1 LEU 53 -13.053 -10.470 2.035 426 1HD2 LEU 53 1HD2 LEU 53 -16.722 -10.705 -0.113 427 2HD2 LEU 53 2HD2 LEU 53 -16.939 -10.578 1.649 428 3HD2 LEU 53 3HD2 LEU 53 -16.221 -9.226 0.741 429 H GLN 54 H GLN 54 -13.630 -8.210 -2.917 430 HA GLN 54 HA GLN 54 -10.818 -8.845 -2.865 431 1HB GLN 54 1HB GLN 54 -11.741 -8.383 -5.053 432 2HB GLN 54 2HB GLN 54 -12.490 -6.898 -4.501 433 1HG GLN 54 1HG GLN 54 -10.580 -5.702 -4.821 434 2HG GLN 54 2HG GLN 54 -9.611 -6.872 -3.948 435 1HE2 GLN 54 2HE2 GLN 54 -9.972 -6.953 -8.052 436 2HE2 GLN 54 1HE2 GLN 54 -11.003 -5.998 -7.040 437 H ILE 55 H ILE 55 -9.218 -7.542 -1.926 438 HA ILE 55 HA ILE 55 -10.010 -4.972 -0.850 439 HB ILE 55 HB ILE 55 -9.674 -5.411 1.369 440 1HG1 ILE 55 1HG1 ILE 55 -7.458 -6.574 0.941 441 2HG1 ILE 55 2HG1 ILE 55 -8.370 -7.111 2.337 442 1HG2 ILE 55 2HG2 ILE 55 -11.725 -6.506 0.557 443 2HG2 ILE 55 3HG2 ILE 55 -10.822 -8.027 0.354 444 3HG2 ILE 55 1HG2 ILE 55 -11.035 -7.327 1.977 445 1HD1 ILE 55 3HD1 ILE 55 -8.493 -8.485 -0.385 446 2HD1 ILE 55 1HD1 ILE 55 -7.427 -8.998 0.945 447 3HD1 ILE 55 2HD1 ILE 55 -9.195 -9.073 1.142 448 H GLN 56 H GLN 56 -8.108 -3.685 -0.172 449 HA GLN 56 HA GLN 56 -5.686 -4.737 -1.414 450 1HB GLN 56 1HB GLN 56 -6.436 -3.057 -2.919 451 2HB GLN 56 2HB GLN 56 -6.957 -1.993 -1.627 452 1HG GLN 56 1HG GLN 56 -4.051 -2.708 -1.605 453 2HG GLN 56 2HG GLN 56 -4.573 -1.728 -2.962 454 1HE2 GLN 56 2HE2 GLN 56 -3.505 0.468 -0.141 455 2HE2 GLN 56 1HE2 GLN 56 -2.799 -0.814 -1.066 456 H CYS 57 H CYS 57 -3.684 -4.244 -0.364 457 HA CYS 57 HA CYS 57 -3.840 -2.673 2.061 458 1HB CYS 57 1HB CYS 57 -2.461 -4.693 3.138 459 2HB CYS 57 2HB CYS 57 -4.205 -4.566 3.269 460 HG CYS 57 HG CYS 57 -3.371 -7.057 2.724 461 H VAL 58 H VAL 58 -1.621 -2.086 2.815 462 HA VAL 58 HA VAL 58 0.297 -2.303 0.603 463 HB VAL 58 HB VAL 58 0.143 -0.221 2.789 464 1HG1 VAL 58 3HG1 VAL 58 2.294 -0.849 1.272 465 2HG1 VAL 58 1HG1 VAL 58 1.490 0.320 0.197 466 3HG1 VAL 58 2HG1 VAL 58 1.943 0.796 1.852 467 1HG2 VAL 58 2HG2 VAL 58 -1.377 -0.500 0.291 468 2HG2 VAL 58 3HG2 VAL 58 -1.661 0.553 1.698 469 3HG2 VAL 58 1HG2 VAL 58 -0.516 1.053 0.431 470 H VAL 59 H VAL 59 0.872 -4.479 1.439 471 HA VAL 59 HA VAL 59 2.098 -4.542 4.049 472 HB VAL 59 HB VAL 59 2.191 -6.845 3.768 473 1HG1 VAL 59 2HG1 VAL 59 -0.122 -5.992 3.889 474 2HG1 VAL 59 3HG1 VAL 59 -0.200 -5.966 2.112 475 3HG1 VAL 59 1HG1 VAL 59 -0.022 -7.514 2.972 476 1HG2 VAL 59 2HG2 VAL 59 2.583 -6.188 0.920 477 2HG2 VAL 59 3HG2 VAL 59 3.218 -7.541 1.888 478 3HG2 VAL 59 1HG2 VAL 59 1.574 -7.626 1.211 479 H GLU 60 H GLU 60 4.371 -5.541 4.228 480 HA GLU 60 HA GLU 60 6.053 -3.952 2.543 481 1HB GLU 60 1HB GLU 60 6.177 -5.045 5.201 482 2HB GLU 60 2HB GLU 60 7.562 -5.654 4.315 483 1HG GLU 60 1HG GLU 60 7.370 -2.920 3.575 484 2HG GLU 60 2HG GLU 60 7.043 -2.943 5.297 485 H ASP 61 H ASP 61 8.276 -5.129 1.888 486 HA ASP 61 HA ASP 61 7.520 -7.697 0.732 487 1HB ASP 61 1HB ASP 61 8.654 -5.232 -0.512 488 2HB ASP 61 2HB ASP 61 9.448 -6.719 -0.991 489 H ASP 62 H ASP 62 9.313 -6.244 3.057 490 HA ASP 62 HA ASP 62 11.851 -7.421 2.406 491 1HB ASP 62 1HB ASP 62 11.279 -5.151 3.702 492 2HB ASP 62 2HB ASP 62 11.173 -6.210 5.095 493 H LYS 63 H LYS 63 9.693 -7.391 5.354 494 HA LYS 63 HA LYS 63 10.380 -10.222 5.734 495 1HB LYS 63 1HB LYS 63 10.673 -7.986 7.482 496 2HB LYS 63 2HB LYS 63 9.415 -9.010 8.145 497 1HG LYS 63 1HG LYS 63 10.854 -10.783 8.528 498 2HG LYS 63 2HG LYS 63 11.821 -10.451 7.106 499 1HD LYS 63 1HD LYS 63 13.362 -9.405 8.393 500 2HD LYS 63 2HD LYS 63 12.168 -8.209 8.854 501 1HE LYS 63 1HE LYS 63 12.311 -9.018 10.973 502 2HE LYS 63 2HE LYS 63 11.473 -10.449 10.407 503 1HZ LYS 63 1HZ LYS 63 13.998 -10.890 9.631 504 2HZ LYS 63 2HZ LYS 63 14.223 -10.117 11.051 505 3HZ LYS 63 3HZ LYS 63 13.326 -11.481 10.997 506 H VAL 64 H VAL 64 7.891 -7.794 5.265 507 HA VAL 64 HA VAL 64 5.785 -9.546 6.170 508 HB VAL 64 HB VAL 64 5.633 -6.910 4.699 509 1HG1 VAL 64 1HG1 VAL 64 3.589 -8.486 4.891 510 2HG1 VAL 64 2HG1 VAL 64 3.589 -8.036 6.613 511 3HG1 VAL 64 3HG1 VAL 64 3.393 -6.782 5.367 512 1HG2 VAL 64 2HG2 VAL 64 6.980 -6.650 6.729 513 2HG2 VAL 64 3HG2 VAL 64 5.398 -5.854 6.910 514 3HG2 VAL 64 1HG2 VAL 64 5.699 -7.424 7.693 515 H GLY 65 H GLY 65 4.108 -10.400 4.772 516 1HA GLY 65 1HA GLY 65 4.485 -10.298 1.913 517 2HA GLY 65 2HA GLY 65 4.918 -11.837 2.629 518 H THR 66 H THR 66 2.848 -11.870 0.842 519 HA THR 66 HA THR 66 0.323 -11.446 2.110 520 HB THR 66 HB THR 66 1.355 -12.659 -0.482 521 HG1 THR 66 1HG THR 66 0.531 -10.674 -1.142 522 1HG2 THR 66 1HG2 THR 66 -1.317 -13.050 0.809 523 2HG2 THR 66 2HG2 THR 66 -1.364 -12.417 -0.854 524 3HG2 THR 66 3HG2 THR 66 -0.557 -13.967 -0.514 525 H ASP 67 H ASP 67 2.683 -14.052 2.019 526 HA ASP 67 HA ASP 67 1.232 -16.251 2.340 527 1HB ASP 67 1HB ASP 67 3.085 -16.694 4.294 528 2HB ASP 67 2HB ASP 67 3.450 -16.784 2.582 529 H MET 68 H MET 68 2.532 -14.455 5.238 530 HA MET 68 HA MET 68 1.046 -15.595 7.134 531 1HB MET 68 1HB MET 68 2.817 -13.557 7.078 532 2HB MET 68 2HB MET 68 1.370 -12.576 7.193 533 1HG MET 68 1HG MET 68 1.133 -14.722 9.114 534 2HG MET 68 2HG MET 68 2.724 -14.010 9.300 535 1HE MET 68 2HE MET 68 -0.718 -14.078 9.716 536 2HE MET 68 3HE MET 68 -0.999 -12.855 10.979 537 3HE MET 68 1HE MET 68 -1.337 -12.468 9.274 538 H LEU 69 H LEU 69 0.111 -12.413 5.619 539 HA LEU 69 HA LEU 69 -2.345 -12.150 6.717 540 1HB LEU 69 1HB LEU 69 -1.250 -11.393 4.025 541 2HB LEU 69 2HB LEU 69 -2.904 -11.014 4.460 542 HG LEU 69 HG LEU 69 -0.445 -10.106 5.983 543 1HD1 LEU 69 2HD1 LEU 69 -0.963 -9.162 3.604 544 2HD1 LEU 69 3HD1 LEU 69 -2.255 -8.272 4.445 545 3HD1 LEU 69 1HD1 LEU 69 -0.558 -8.055 4.936 546 1HD2 LEU 69 3HD2 LEU 69 -3.391 -9.560 6.391 547 2HD2 LEU 69 1HD2 LEU 69 -2.232 -10.283 7.533 548 3HD2 LEU 69 2HD2 LEU 69 -2.100 -8.561 7.100 549 H GLU 70 H GLU 70 -1.473 -14.079 3.783 550 HA GLU 70 HA GLU 70 -4.069 -14.841 3.209 551 1HB GLU 70 1HB GLU 70 -2.278 -15.088 1.579 552 2HB GLU 70 2HB GLU 70 -1.393 -16.178 2.628 553 1HG GLU 70 1HG GLU 70 -3.632 -17.624 2.525 554 2HG GLU 70 2HG GLU 70 -3.935 -16.697 1.069 555 H GLU 71 H GLU 71 -1.471 -16.491 5.130 556 HA GLU 71 HA GLU 71 -2.939 -18.747 5.710 557 1HB GLU 71 1HB GLU 71 -0.503 -17.409 6.759 558 2HB GLU 71 2HB GLU 71 -1.303 -18.450 7.919 559 1HG GLU 71 1HG GLU 71 -0.995 -19.566 5.155 560 2HG GLU 71 2HG GLU 71 0.487 -19.359 6.066 561 H GLN 72 H GLN 72 -3.444 -15.496 6.692 562 HA GLN 72 HA GLN 72 -4.819 -16.353 9.101 563 1HB GLN 72 1HB GLN 72 -3.187 -14.458 9.260 564 2HB GLN 72 2HB GLN 72 -4.158 -13.539 8.128 565 1HG GLN 72 1HG GLN 72 -5.672 -12.955 9.731 566 2HG GLN 72 2HG GLN 72 -5.793 -14.596 10.333 567 1HE2 GLN 72 2HE2 GLN 72 -4.185 -13.750 13.268 568 2HE2 GLN 72 1HE2 GLN 72 -5.489 -14.523 12.428 569 H ILE 73 H ILE 73 -5.277 -14.417 6.070 570 HA ILE 73 HA ILE 73 -8.032 -14.004 6.505 571 HB ILE 73 HB ILE 73 -6.456 -13.930 3.930 572 1HG1 ILE 73 1HG1 ILE 73 -7.063 -11.468 5.505 573 2HG1 ILE 73 2HG1 ILE 73 -5.770 -12.500 6.084 574 1HG2 ILE 73 2HG2 ILE 73 -9.245 -13.455 4.562 575 2HG2 ILE 73 3HG2 ILE 73 -8.470 -11.997 3.898 576 3HG2 ILE 73 1HG2 ILE 73 -8.424 -13.523 2.984 577 1HD1 ILE 73 2HD1 ILE 73 -4.689 -12.421 3.837 578 2HD1 ILE 73 3HD1 ILE 73 -5.998 -11.362 3.259 579 3HD1 ILE 73 1HD1 ILE 73 -4.888 -10.793 4.529 580 H THR 74 H THR 74 -6.227 -16.271 4.310 581 HA THR 74 HA THR 74 -8.619 -17.681 3.645 582 HB THR 74 HB THR 74 -7.140 -18.932 2.237 583 HG1 THR 74 1HG THR 74 -5.189 -18.024 4.232 584 1HG2 THR 74 3HG2 THR 74 -6.960 -16.257 2.021 585 2HG2 THR 74 1HG2 THR 74 -5.310 -16.555 2.618 586 3HG2 THR 74 2HG2 THR 74 -5.861 -17.317 1.106 587 H ALA 75 H ALA 75 -6.840 -17.535 6.495 588 HA ALA 75 HA ALA 75 -6.654 -20.220 7.218 589 1HB ALA 75 1HB ALA 75 -6.094 -17.706 8.323 590 2HB ALA 75 2HB ALA 75 -7.294 -18.417 9.428 591 3HB ALA 75 3HB ALA 75 -5.782 -19.289 9.074 592 H PHE 76 H PHE 76 -9.402 -18.123 6.747 593 HA PHE 76 HA PHE 76 -11.092 -19.800 8.416 594 1HB PHE 76 1HB PHE 76 -11.025 -17.071 7.276 595 2HB PHE 76 2HB PHE 76 -12.561 -17.838 6.928 596 HD1 PHE 76 1HD PHE 76 -13.111 -19.405 9.309 597 HD2 PHE 76 2HD PHE 76 -11.376 -15.547 8.976 598 HE1 PHE 76 1HE PHE 76 -13.915 -18.844 11.620 599 HE2 PHE 76 2HE PHE 76 -12.179 -14.986 11.287 600 HZ PHE 76 HZ PHE 76 -13.439 -16.641 12.581 601 H GLU 77 H GLU 77 -10.997 -21.772 7.155 602 HA GLU 77 HA GLU 77 -11.789 -21.642 4.425 603 1HB GLU 77 1HB GLU 77 -10.781 -23.689 6.313 604 2HB GLU 77 2HB GLU 77 -11.940 -24.317 5.158 605 1HG GLU 77 1HG GLU 77 -10.549 -23.093 3.336 606 2HG GLU 77 2HG GLU 77 -9.320 -22.880 4.567 607 H ASP 78 H ASP 78 -13.465 -21.307 7.299 608 HA ASP 78 HA ASP 78 -15.727 -22.880 6.462 609 1HB ASP 78 1HB ASP 78 -14.763 -21.622 8.949 610 2HB ASP 78 2HB ASP 78 -16.469 -21.321 8.690 611 H TYR 79 H TYR 79 -14.507 -20.176 5.274 612 HA TYR 79 HA TYR 79 -17.101 -18.954 4.837 613 1HB TYR 79 1HB TYR 79 -14.591 -17.675 6.072 614 2HB TYR 79 2HB TYR 79 -15.838 -16.692 5.331 615 HD1 TYR 79 2HD TYR 79 -18.153 -16.661 6.326 616 HD2 TYR 79 1HD TYR 79 -14.855 -18.562 8.279 617 HE1 TYR 79 2HE TYR 79 -19.431 -16.636 8.524 618 HE2 TYR 79 1HE TYR 79 -16.144 -18.530 10.470 619 HH TYR 79 HH TYR 79 -19.222 -16.855 10.727 620 H VAL 80 H VAL 80 -13.535 -18.940 4.242 621 HA VAL 80 HA VAL 80 -13.938 -17.686 1.673 622 HB VAL 80 HB VAL 80 -11.480 -18.771 3.063 623 1HG1 VAL 80 3HG1 VAL 80 -11.433 -18.630 0.504 624 2HG1 VAL 80 1HG1 VAL 80 -11.519 -16.865 0.715 625 3HG1 VAL 80 2HG1 VAL 80 -10.146 -17.776 1.390 626 1HG2 VAL 80 2HG2 VAL 80 -12.951 -16.214 3.217 627 2HG2 VAL 80 3HG2 VAL 80 -11.817 -16.961 4.367 628 3HG2 VAL 80 1HG2 VAL 80 -11.196 -16.053 2.968 629 H GLN 81 H GLN 81 -14.177 -18.727 -0.249 630 HA GLN 81 HA GLN 81 -14.281 -21.585 -0.133 631 1HB GLN 81 1HB GLN 81 -15.968 -20.059 -1.334 632 2HB GLN 81 2HB GLN 81 -14.742 -19.807 -2.560 633 1HG GLN 81 1HG GLN 81 -14.760 -22.595 -2.247 634 2HG GLN 81 2HG GLN 81 -16.450 -22.168 -2.076 635 1HE2 GLN 81 2HE2 GLN 81 -14.527 -22.038 -5.665 636 2HE2 GLN 81 1HE2 GLN 81 -13.778 -22.509 -4.175 637 H SER 82 H SER 82 -12.243 -18.994 -1.518 638 HA SER 82 HA SER 82 -10.044 -20.656 -1.683 639 1HB SER 82 1HB SER 82 -11.673 -20.399 -4.205 640 2HB SER 82 2HB SER 82 -9.927 -20.380 -4.352 641 HG SER 82 HG SER 82 -10.744 -22.543 -4.524 642 H MET 83 H MET 83 -8.234 -19.318 -1.709 643 HA MET 83 HA MET 83 -8.794 -16.532 -2.331 644 1HB MET 83 1HB MET 83 -7.996 -16.853 -0.052 645 2HB MET 83 2HB MET 83 -6.738 -17.957 -0.571 646 1HG MET 83 1HG MET 83 -6.726 -15.129 -1.649 647 2HG MET 83 2HG MET 83 -6.167 -15.408 -0.013 648 1HE MET 83 3HE MET 83 -4.192 -14.666 -0.151 649 2HE MET 83 1HE MET 83 -2.797 -15.730 -0.455 650 3HE MET 83 2HE MET 83 -3.310 -14.560 -1.694 651 H ASP 84 H ASP 84 -7.183 -15.261 -3.522 652 HA ASP 84 HA ASP 84 -5.094 -16.739 -4.798 653 1HB ASP 84 1HB ASP 84 -7.583 -15.811 -6.210 654 2HB ASP 84 2HB ASP 84 -6.064 -15.571 -7.052 655 H VAL 85 H VAL 85 -4.325 -14.889 -6.749 656 HA VAL 85 HA VAL 85 -4.046 -12.422 -5.179 657 HB VAL 85 HB VAL 85 -2.220 -13.964 -6.984 658 1HG1 VAL 85 1HG1 VAL 85 -2.324 -11.687 -7.946 659 2HG1 VAL 85 2HG1 VAL 85 -1.896 -11.009 -6.357 660 3HG1 VAL 85 3HG1 VAL 85 -0.736 -12.044 -7.224 661 1HG2 VAL 85 2HG2 VAL 85 -2.122 -12.790 -4.213 662 2HG2 VAL 85 3HG2 VAL 85 -1.769 -14.449 -4.757 663 3HG2 VAL 85 1HG2 VAL 85 -0.614 -13.136 -5.096 664 H ALA 86 H ALA 86 -4.774 -10.518 -6.037 665 HA ALA 86 HA ALA 86 -6.080 -10.720 -8.633 666 1HB ALA 86 3HB ALA 86 -6.677 -9.489 -6.144 667 2HB ALA 86 1HB ALA 86 -6.385 -8.170 -7.303 668 3HB ALA 86 2HB ALA 86 -7.616 -9.407 -7.654 669 H ALA 87 H ALA 87 -3.189 -9.518 -7.092 670 HA ALA 87 HA ALA 87 -2.031 -8.765 -9.505 671 1HB ALA 87 1HB ALA 87 -3.840 -6.871 -8.924 672 2HB ALA 87 2HB ALA 87 -2.506 -6.275 -7.906 673 3HB ALA 87 3HB ALA 87 -2.266 -6.479 -9.658 674 H PHE 88 H PHE 88 0.173 -7.775 -9.121 675 HA PHE 88 HA PHE 88 1.058 -7.822 -6.375 676 1HB PHE 88 1HB PHE 88 1.163 -10.130 -8.054 677 2HB PHE 88 2HB PHE 88 2.779 -9.460 -8.154 678 HD1 PHE 88 1HD PHE 88 0.206 -10.440 -5.642 679 HD2 PHE 88 2HD PHE 88 4.334 -9.985 -6.513 680 HE1 PHE 88 1HE PHE 88 0.787 -11.512 -3.448 681 HE2 PHE 88 2HE PHE 88 4.916 -11.057 -4.320 682 HZ PHE 88 HZ PHE 88 3.135 -11.808 -2.813 683 H ASN 89 H ASN 89 1.587 -5.602 -6.730 684 HA ASN 89 HA ASN 89 4.012 -5.326 -8.282 685 1HB ASN 89 1HB ASN 89 1.404 -3.919 -8.776 686 2HB ASN 89 2HB ASN 89 2.829 -2.898 -8.809 687 1HD2 ASN 89 2HD2 ASN 89 2.557 -3.847 -12.260 688 2HD2 ASN 89 1HD2 ASN 89 1.917 -2.761 -11.073 689 H LYS 90 H LYS 90 4.581 -2.656 -7.871 690 HA LYS 90 HA LYS 90 4.812 -2.534 -4.998 691 1HB LYS 90 1HB LYS 90 6.152 -0.396 -5.714 692 2HB LYS 90 2HB LYS 90 6.831 -1.996 -5.943 693 1HG LYS 90 1HG LYS 90 5.151 -0.860 -8.174 694 2HG LYS 90 2HG LYS 90 6.749 -0.183 -7.937 695 1HD LYS 90 1HD LYS 90 7.841 -2.198 -8.457 696 2HD LYS 90 2HD LYS 90 6.480 -3.190 -7.968 697 1HE LYS 90 1HE LYS 90 5.891 -3.333 -10.156 698 2HE LYS 90 2HE LYS 90 5.460 -1.635 -10.094 699 1HZ LYS 90 3HZ LYS 90 8.204 -1.775 -10.333 700 2HZ LYS 90 1HZ LYS 90 7.592 -2.820 -11.429 701 3HZ LYS 90 2HZ LYS 90 7.131 -1.253 -11.449 702 H ILE 91 H ILE 91 4.080 -0.860 -3.705 703 HA ILE 91 HA ILE 91 1.558 0.319 -4.617 704 HB ILE 91 HB ILE 91 1.616 -0.686 -2.414 705 1HG1 ILE 91 1HG1 ILE 91 1.479 1.745 -1.106 706 2HG1 ILE 91 2HG1 ILE 91 1.221 2.219 -2.802 707 1HG2 ILE 91 1HG2 ILE 91 4.234 0.547 -2.359 708 2HG2 ILE 91 2HG2 ILE 91 3.297 1.078 -0.942 709 3HG2 ILE 91 3HG2 ILE 91 3.545 -0.659 -1.246 710 1HD1 ILE 91 3HD1 ILE 91 -0.544 0.468 -2.997 711 2HD1 ILE 91 1HD1 ILE 91 -0.314 0.070 -1.277 712 3HD1 ILE 91 2HD1 ILE 91 -0.931 1.674 -1.744 No H/Q in entry = 712 Start of MODEL 20 1 1H MET 1 3HN MET 1 13.410 6.284 6.891 2 2H MET 1 H MET 1 13.076 7.197 8.231 3 3H MET 1 2HN MET 1 14.610 6.627 7.977 4 HA MET 1 HA MET 1 14.101 4.494 8.477 5 1HB MET 1 1HB MET 1 12.885 6.597 10.210 6 2HB MET 1 2HB MET 1 12.422 4.912 10.551 7 1HG MET 1 1HG MET 1 14.760 4.259 10.725 8 2HG MET 1 2HG MET 1 15.285 5.881 10.243 9 1HE MET 1 2HE MET 1 15.723 3.725 12.586 10 2HE MET 1 3HE MET 1 15.574 4.447 14.206 11 3HE MET 1 1HE MET 1 14.174 3.644 13.458 12 H LEU 2 H LEU 2 12.771 2.713 8.067 13 HA LEU 2 HA LEU 2 11.058 1.592 7.238 14 1HB LEU 2 1HB LEU 2 9.775 3.612 8.999 15 2HB LEU 2 2HB LEU 2 8.727 2.724 7.912 16 HG LEU 2 HG LEU 2 8.816 1.686 10.115 17 1HD1 LEU 2 1HD1 LEU 2 8.751 0.380 7.830 18 2HD1 LEU 2 2HD1 LEU 2 10.318 -0.248 8.395 19 3HD1 LEU 2 3HD1 LEU 2 8.856 -0.485 9.381 20 1HD2 LEU 2 1HD2 LEU 2 11.261 2.480 10.474 21 2HD2 LEU 2 2HD2 LEU 2 10.726 0.944 11.196 22 3HD2 LEU 2 3HD2 LEU 2 11.698 0.936 9.705 23 H VAL 3 H VAL 3 11.322 1.700 5.033 24 HA VAL 3 HA VAL 3 9.520 3.487 3.664 25 HB VAL 3 HB VAL 3 11.852 4.600 4.083 26 1HG1 VAL 3 1HG1 VAL 3 12.989 2.480 3.114 27 2HG1 VAL 3 2HG1 VAL 3 12.544 3.154 1.528 28 3HG1 VAL 3 3HG1 VAL 3 13.601 4.078 2.623 29 1HG2 VAL 3 3HG2 VAL 3 9.833 4.852 2.123 30 2HG2 VAL 3 1HG2 VAL 3 11.024 6.075 2.630 31 3HG2 VAL 3 2HG2 VAL 3 11.384 4.995 1.262 32 H ALA 4 H ALA 4 9.767 2.988 1.151 33 HA ALA 4 HA ALA 4 9.806 1.505 -0.505 34 1HB ALA 4 3HB ALA 4 11.992 0.741 0.960 35 2HB ALA 4 1HB ALA 4 11.017 -0.748 0.996 36 3HB ALA 4 2HB ALA 4 11.486 -0.027 -0.564 37 H LYS 5 H LYS 5 7.461 1.588 -0.151 38 HA LYS 5 HA LYS 5 6.437 -0.769 1.253 39 1HB LYS 5 1HB LYS 5 5.218 1.908 0.565 40 2HB LYS 5 2HB LYS 5 4.233 0.536 1.030 41 1HG LYS 5 1HG LYS 5 6.592 1.457 2.721 42 2HG LYS 5 2HG LYS 5 4.994 2.150 2.915 43 1HD LYS 5 1HD LYS 5 4.539 -0.639 2.891 44 2HD LYS 5 2HD LYS 5 6.013 -0.454 3.820 45 1HE LYS 5 1HE LYS 5 3.378 1.004 4.342 46 2HE LYS 5 2HE LYS 5 4.024 -0.318 5.294 47 1HZ LYS 5 3HZ LYS 5 6.004 1.148 5.637 48 2HZ LYS 5 1HZ LYS 5 5.132 2.379 5.012 49 3HZ LYS 5 2HZ LYS 5 4.631 1.634 6.377 50 H SER 6 H SER 6 4.266 -1.582 0.145 51 HA SER 6 HA SER 6 4.374 -1.382 -2.703 52 1HB SER 6 1HB SER 6 6.036 -3.134 -2.392 53 2HB SER 6 2HB SER 6 5.003 -3.996 -1.269 54 HG SER 6 HG SER 6 3.565 -4.519 -2.963 55 H SER 7 H SER 7 2.521 -2.825 -3.678 56 HA SER 7 HA SER 7 0.360 -2.839 -1.719 57 1HB SER 7 1HB SER 7 0.419 -1.236 -3.860 58 2HB SER 7 2HB SER 7 -0.157 -2.670 -4.687 59 HG SER 7 HG SER 7 -1.919 -1.348 -3.915 60 H ILE 8 H ILE 8 -1.167 -4.621 -1.803 61 HA ILE 8 HA ILE 8 -0.542 -6.770 -3.652 62 HB ILE 8 HB ILE 8 -0.425 -7.090 -0.651 63 1HG1 ILE 8 1HG1 ILE 8 1.903 -8.055 -1.416 64 2HG1 ILE 8 2HG1 ILE 8 1.651 -7.036 -2.820 65 1HG2 ILE 8 2HG2 ILE 8 -1.158 -8.965 -2.704 66 2HG2 ILE 8 3HG2 ILE 8 0.384 -9.453 -1.962 67 3HG2 ILE 8 1HG2 ILE 8 -1.051 -9.196 -0.942 68 1HD1 ILE 8 3HD1 ILE 8 0.959 -5.522 -0.449 69 2HD1 ILE 8 1HD1 ILE 8 2.571 -6.247 -0.235 70 3HD1 ILE 8 2HD1 ILE 8 2.244 -5.201 -1.638 71 H LEU 9 H LEU 9 -2.511 -6.761 -4.660 72 HA LEU 9 HA LEU 9 -4.892 -6.445 -3.050 73 1HB LEU 9 1HB LEU 9 -4.404 -5.391 -5.340 74 2HB LEU 9 2HB LEU 9 -4.752 -6.974 -6.009 75 HG LEU 9 HG LEU 9 -6.993 -6.781 -4.681 76 1HD1 LEU 9 1HD1 LEU 9 -6.128 -4.672 -3.501 77 2HD1 LEU 9 2HD1 LEU 9 -6.493 -3.828 -5.025 78 3HD1 LEU 9 3HD1 LEU 9 -7.794 -4.654 -4.132 79 1HD2 LEU 9 2HD2 LEU 9 -6.251 -5.422 -7.256 80 2HD2 LEU 9 3HD2 LEU 9 -7.181 -6.915 -6.983 81 3HD2 LEU 9 1HD2 LEU 9 -7.915 -5.332 -6.633 82 H LEU 10 H LEU 10 -6.245 -8.064 -2.395 83 HA LEU 10 HA LEU 10 -5.601 -10.746 -3.406 84 1HB LEU 10 1HB LEU 10 -5.998 -9.731 -0.627 85 2HB LEU 10 2HB LEU 10 -6.557 -11.346 -1.014 86 HG LEU 10 HG LEU 10 -4.209 -11.825 -1.881 87 1HD1 LEU 10 3HD1 LEU 10 -3.903 -9.033 -1.245 88 2HD1 LEU 10 1HD1 LEU 10 -2.764 -10.008 -0.286 89 3HD1 LEU 10 2HD1 LEU 10 -2.775 -10.142 -2.060 90 1HD2 LEU 10 1HD2 LEU 10 -5.234 -11.700 0.828 91 2HD2 LEU 10 2HD2 LEU 10 -4.239 -12.945 0.037 92 3HD2 LEU 10 3HD2 LEU 10 -3.461 -11.535 0.794 93 H ASP 11 H ASP 11 -7.420 -12.239 -3.546 94 HA ASP 11 HA ASP 11 -9.987 -10.883 -3.452 95 1HB ASP 11 1HB ASP 11 -8.608 -11.590 -5.830 96 2HB ASP 11 2HB ASP 11 -9.816 -12.844 -5.630 97 H VAL 12 H VAL 12 -11.506 -12.190 -2.390 98 HA VAL 12 HA VAL 12 -10.849 -15.048 -2.180 99 HB VAL 12 HB VAL 12 -12.093 -13.219 -0.116 100 1HG1 VAL 12 2HG1 VAL 12 -12.979 -15.580 -0.159 101 2HG1 VAL 12 3HG1 VAL 12 -11.326 -16.137 0.194 102 3HG1 VAL 12 1HG1 VAL 12 -12.185 -15.102 1.360 103 1HG2 VAL 12 1HG2 VAL 12 -9.605 -12.983 -0.512 104 2HG2 VAL 12 2HG2 VAL 12 -10.077 -13.442 1.142 105 3HG2 VAL 12 3HG2 VAL 12 -9.435 -14.672 0.026 106 H LYS 13 H LYS 13 -12.663 -16.517 -2.169 107 HA LYS 13 HA LYS 13 -15.069 -15.282 -3.320 108 1HB LYS 13 1HB LYS 13 -13.557 -16.824 -4.759 109 2HB LYS 13 2HB LYS 13 -14.215 -18.134 -3.800 110 1HG LYS 13 1HG LYS 13 -16.253 -16.213 -4.820 111 2HG LYS 13 2HG LYS 13 -15.405 -17.101 -6.071 112 1HD LYS 13 1HD LYS 13 -15.969 -19.255 -4.927 113 2HD LYS 13 2HD LYS 13 -16.813 -18.369 -3.674 114 1HE LYS 13 1HE LYS 13 -18.597 -18.905 -5.086 115 2HE LYS 13 2HE LYS 13 -18.172 -17.321 -5.702 116 1HZ LYS 13 1HZ LYS 13 -16.877 -19.677 -6.822 117 2HZ LYS 13 2HZ LYS 13 -18.388 -19.286 -7.304 118 3HZ LYS 13 3HZ LYS 13 -17.162 -18.230 -7.523 119 HA PRO 14 HA PRO 14 -16.944 -16.820 0.290 120 1HB PRO 14 1HB PRO 14 -19.481 -15.935 -0.206 121 2HB PRO 14 2HB PRO 14 -18.239 -14.929 0.513 122 1HG PRO 14 1HG PRO 14 -19.302 -14.872 -2.244 123 2HG PRO 14 2HG PRO 14 -18.396 -13.638 -1.391 124 1HD PRO 14 1HD PRO 14 -17.395 -15.420 -3.405 125 2HD PRO 14 2HD PRO 14 -16.465 -14.266 -2.469 126 H TRP 15 H TRP 15 -17.719 -18.742 0.967 127 HA TRP 15 HA TRP 15 -18.049 -20.756 -0.837 128 1HB TRP 15 1HB TRP 15 -18.815 -20.317 1.996 129 2HB TRP 15 2HB TRP 15 -19.596 -21.649 1.169 130 HD1 TRP 15 HD TRP 15 -16.618 -21.060 3.182 131 HE1 TRP 15 1HE TRP 15 -14.738 -22.891 2.913 132 HE3 TRP 15 3HE TRP 15 -18.493 -23.113 -1.075 133 HZ2 TRP 15 2HZ TRP 15 -14.256 -24.947 0.992 134 HZ3 TRP 15 3HZ TRP 15 -17.257 -25.029 -2.083 135 HH2 TRP 15 HH TRP 15 -15.208 -25.947 -1.118 136 H ASP 16 H ASP 16 -20.388 -18.318 0.351 137 HA ASP 16 HA ASP 16 -22.015 -18.777 -1.899 138 1HB ASP 16 1HB ASP 16 -22.738 -20.002 0.721 139 2HB ASP 16 2HB ASP 16 -24.024 -19.065 -0.012 140 H ASP 17 H ASP 17 -24.345 -17.466 -1.202 141 HA ASP 17 HA ASP 17 -23.473 -14.859 -0.815 142 1HB ASP 17 1HB ASP 17 -25.659 -14.286 -1.309 143 2HB ASP 17 2HB ASP 17 -25.687 -15.943 -1.879 144 H GLU 18 H GLU 18 -24.367 -17.471 1.346 145 HA GLU 18 HA GLU 18 -25.332 -15.950 3.476 146 1HB GLU 18 1HB GLU 18 -25.284 -17.965 4.708 147 2HB GLU 18 2HB GLU 18 -25.496 -18.503 3.054 148 1HG GLU 18 1HG GLU 18 -22.984 -18.824 2.890 149 2HG GLU 18 2HG GLU 18 -22.857 -18.413 4.589 150 H THR 19 H THR 19 -22.054 -16.951 2.427 151 HA THR 19 HA THR 19 -20.613 -16.432 4.707 152 HB THR 19 HB THR 19 -20.071 -16.197 1.721 153 HG1 THR 19 1HG THR 19 -19.136 -18.214 2.243 154 1HG2 THR 19 2HG2 THR 19 -18.523 -14.610 3.025 155 2HG2 THR 19 3HG2 THR 19 -17.978 -16.033 3.945 156 3HG2 THR 19 1HG2 THR 19 -17.693 -15.946 2.191 157 H ASP 20 H ASP 20 -21.256 -14.743 6.001 158 HA ASP 20 HA ASP 20 -22.080 -12.319 5.266 159 1HB ASP 20 1HB ASP 20 -21.542 -13.429 7.630 160 2HB ASP 20 2HB ASP 20 -20.042 -12.533 7.496 161 H MET 21 H MET 21 -21.146 -10.512 4.257 162 HA MET 21 HA MET 21 -18.453 -10.773 3.380 163 1HB MET 21 1HB MET 21 -20.632 -8.644 3.064 164 2HB MET 21 2HB MET 21 -19.041 -8.444 2.357 165 1HG MET 21 1HG MET 21 -20.062 -11.097 1.708 166 2HG MET 21 2HG MET 21 -21.256 -9.891 1.274 167 1HE MET 21 2HE MET 21 -18.412 -11.826 0.262 168 2HE MET 21 3HE MET 21 -19.702 -11.708 -0.959 169 3HE MET 21 1HE MET 21 -18.060 -11.142 -1.344 170 H ALA 22 H ALA 22 -20.243 -8.965 5.873 171 HA ALA 22 HA ALA 22 -18.318 -7.001 6.380 172 1HB ALA 22 3HB ALA 22 -20.860 -7.665 7.271 173 2HB ALA 22 1HB ALA 22 -19.849 -7.953 8.707 174 3HB ALA 22 2HB ALA 22 -19.843 -6.356 7.920 175 H LYS 23 H LYS 23 -18.838 -10.322 7.715 176 HA LYS 23 HA LYS 23 -16.697 -10.134 9.546 177 1HB LYS 23 1HB LYS 23 -18.789 -11.751 9.380 178 2HB LYS 23 2HB LYS 23 -17.675 -12.757 8.475 179 1HG LYS 23 1HG LYS 23 -16.770 -13.465 10.427 180 2HG LYS 23 2HG LYS 23 -16.199 -11.837 10.731 181 1HD LYS 23 1HD LYS 23 -18.708 -11.428 11.546 182 2HD LYS 23 2HD LYS 23 -18.729 -13.173 11.716 183 1HE LYS 23 1HE LYS 23 -16.433 -12.800 13.004 184 2HE LYS 23 2HE LYS 23 -17.004 -11.153 13.174 185 1HZ LYS 23 3HZ LYS 23 -18.768 -13.372 13.856 186 2HZ LYS 23 1HZ LYS 23 -17.636 -12.874 14.923 187 3HZ LYS 23 2HZ LYS 23 -18.790 -11.836 14.412 188 H LEU 24 H LEU 24 -17.041 -11.706 6.291 189 HA LEU 24 HA LEU 24 -14.442 -12.626 6.123 190 1HB LEU 24 1HB LEU 24 -16.708 -12.677 4.573 191 2HB LEU 24 2HB LEU 24 -15.624 -11.698 3.605 192 HG LEU 24 HG LEU 24 -15.020 -14.481 4.647 193 1HD1 LEU 24 2HD1 LEU 24 -16.706 -13.799 2.575 194 2HD1 LEU 24 3HD1 LEU 24 -15.157 -14.095 1.749 195 3HD1 LEU 24 1HD1 LEU 24 -15.871 -15.358 2.780 196 1HD2 LEU 24 3HD2 LEU 24 -13.195 -12.528 4.008 197 2HD2 LEU 24 1HD2 LEU 24 -12.905 -14.284 3.958 198 3HD2 LEU 24 2HD2 LEU 24 -13.365 -13.416 2.475 199 H GLU 25 H GLU 25 -15.851 -9.401 5.405 200 HA GLU 25 HA GLU 25 -13.419 -8.445 4.319 201 1HB GLU 25 1HB GLU 25 -15.628 -7.520 3.671 202 2HB GLU 25 2HB GLU 25 -15.891 -6.957 5.310 203 1HG GLU 25 1HG GLU 25 -13.692 -5.615 5.053 204 2HG GLU 25 2HG GLU 25 -13.767 -6.000 3.345 205 H GLU 26 H GLU 26 -15.067 -8.345 7.512 206 HA GLU 26 HA GLU 26 -13.291 -6.507 8.642 207 1HB GLU 26 1HB GLU 26 -15.293 -6.692 9.824 208 2HB GLU 26 2HB GLU 26 -15.360 -8.436 9.664 209 1HG GLU 26 1HG GLU 26 -14.052 -8.802 11.529 210 2HG GLU 26 2HG GLU 26 -13.020 -7.422 11.211 211 H CYS 27 H CYS 27 -13.530 -10.129 8.874 212 HA CYS 27 HA CYS 27 -11.519 -10.692 10.522 213 1HB CYS 27 1HB CYS 27 -12.949 -12.362 9.370 214 2HB CYS 27 2HB CYS 27 -12.026 -12.132 7.898 215 HG CYS 27 HG CYS 27 -11.483 -13.840 10.515 216 H VAL 28 H VAL 28 -11.165 -10.161 6.934 217 HA VAL 28 HA VAL 28 -8.443 -10.348 6.776 218 HB VAL 28 HB VAL 28 -10.497 -8.747 5.274 219 1HG1 VAL 28 3HG1 VAL 28 -7.638 -8.313 5.254 220 2HG1 VAL 28 1HG1 VAL 28 -8.185 -8.914 3.671 221 3HG1 VAL 28 2HG1 VAL 28 -8.920 -7.452 4.370 222 1HG2 VAL 28 2HG2 VAL 28 -9.742 -11.439 5.248 223 2HG2 VAL 28 3HG2 VAL 28 -10.730 -10.592 4.035 224 3HG2 VAL 28 1HG2 VAL 28 -8.971 -10.740 3.804 225 H ARG 29 H ARG 29 -10.242 -7.189 6.921 226 HA ARG 29 HA ARG 29 -8.152 -5.597 7.329 227 1HB ARG 29 1HB ARG 29 -10.968 -5.404 7.603 228 2HB ARG 29 2HB ARG 29 -10.344 -4.826 9.136 229 1HG ARG 29 1HG ARG 29 -8.877 -3.206 7.964 230 2HG ARG 29 2HG ARG 29 -9.399 -3.822 6.409 231 1HD ARG 29 1HD ARG 29 -10.948 -2.132 6.519 232 2HD ARG 29 2HD ARG 29 -11.840 -3.251 7.529 233 HE ARG 29 HE ARG 29 -10.311 -0.891 8.444 234 1HH1 ARG 29 2HH2 ARG 29 -12.040 -3.822 9.340 235 2HH1 ARG 29 1HH2 ARG 29 -12.288 -3.327 10.981 236 1HH2 ARG 29 2HH1 ARG 29 -10.637 -0.238 10.610 237 2HH2 ARG 29 1HH1 ARG 29 -11.485 -1.274 11.708 238 H SER 30 H SER 30 -10.021 -7.368 9.889 239 HA SER 30 HA SER 30 -8.944 -6.426 12.116 240 1HB SER 30 1HB SER 30 -9.748 -8.333 13.138 241 2HB SER 30 2HB SER 30 -10.523 -8.522 11.577 242 HG SER 30 HG SER 30 -8.049 -9.759 12.438 243 H ILE 31 H ILE 31 -7.316 -8.395 9.647 244 HA ILE 31 HA ILE 31 -5.164 -9.321 11.116 245 HB ILE 31 HB ILE 31 -5.324 -8.500 8.215 246 1HG1 ILE 31 1HG1 ILE 31 -5.585 -11.290 9.336 247 2HG1 ILE 31 2HG1 ILE 31 -6.976 -10.239 9.164 248 1HG2 ILE 31 3HG2 ILE 31 -3.223 -9.963 9.792 249 2HG2 ILE 31 1HG2 ILE 31 -3.473 -10.309 8.064 250 3HG2 ILE 31 2HG2 ILE 31 -3.041 -8.664 8.588 251 1HD1 ILE 31 2HD1 ILE 31 -6.287 -9.902 6.714 252 2HD1 ILE 31 3HD1 ILE 31 -5.111 -11.216 6.963 253 3HD1 ILE 31 1HD1 ILE 31 -6.854 -11.535 7.140 254 H GLN 32 H GLN 32 -3.616 -8.284 12.244 255 HA GLN 32 HA GLN 32 -2.962 -5.592 11.324 256 1HB GLN 32 1HB GLN 32 -3.976 -6.433 13.867 257 2HB GLN 32 2HB GLN 32 -2.308 -5.959 14.122 258 1HG GLN 32 1HG GLN 32 -4.149 -4.193 12.478 259 2HG GLN 32 2HG GLN 32 -4.211 -4.130 14.229 260 1HE2 GLN 32 2HE2 GLN 32 -1.213 -2.417 14.714 261 2HE2 GLN 32 1HE2 GLN 32 -2.542 -3.288 15.400 262 H ALA 33 H ALA 33 -0.731 -4.989 11.340 263 HA ALA 33 HA ALA 33 1.234 -6.743 12.419 264 1HB ALA 33 1HB ALA 33 0.309 -7.148 9.677 265 2HB ALA 33 2HB ALA 33 2.042 -6.742 9.733 266 3HB ALA 33 3HB ALA 33 1.423 -8.133 10.656 267 H ASP 34 H ASP 34 2.980 -5.502 12.947 268 HA ASP 34 HA ASP 34 2.953 -2.839 12.791 269 1HB ASP 34 1HB ASP 34 4.624 -4.548 13.923 270 2HB ASP 34 2HB ASP 34 5.576 -4.332 12.469 271 H GLY 35 H GLY 35 4.515 -5.172 10.483 272 1HA GLY 35 1HA GLY 35 5.251 -3.017 8.666 273 2HA GLY 35 2HA GLY 35 5.646 -4.719 8.527 274 H LEU 36 H LEU 36 2.319 -3.771 9.297 275 HA LEU 36 HA LEU 36 1.583 -4.361 6.515 276 1HB LEU 36 1HB LEU 36 1.132 -6.257 8.008 277 2HB LEU 36 2HB LEU 36 0.152 -5.226 9.033 278 HG LEU 36 HG LEU 36 -1.020 -4.868 6.559 279 1HD1 LEU 36 2HD1 LEU 36 0.557 -6.829 5.868 280 2HD1 LEU 36 3HD1 LEU 36 -0.630 -7.840 6.726 281 3HD1 LEU 36 1HD1 LEU 36 -1.146 -6.832 5.353 282 1HD2 LEU 36 1HD2 LEU 36 -1.633 -6.172 9.092 283 2HD2 LEU 36 2HD2 LEU 36 -2.662 -5.182 8.029 284 3HD2 LEU 36 3HD2 LEU 36 -2.477 -6.925 7.717 285 H VAL 37 H VAL 37 0.659 -2.650 5.537 286 HA VAL 37 HA VAL 37 -0.720 -0.728 7.283 287 HB VAL 37 HB VAL 37 1.025 -0.386 4.860 288 1HG1 VAL 37 3HG1 VAL 37 -1.378 1.137 5.512 289 2HG1 VAL 37 1HG1 VAL 37 0.079 2.158 5.493 290 3HG1 VAL 37 2HG1 VAL 37 -0.348 1.191 4.061 291 1HG2 VAL 37 3HG2 VAL 37 1.128 0.305 7.730 292 2HG2 VAL 37 1HG2 VAL 37 2.445 0.031 6.564 293 3HG2 VAL 37 2HG2 VAL 37 1.628 1.610 6.629 294 H TRP 38 H TRP 38 -2.832 -1.452 7.157 295 HA TRP 38 HA TRP 38 -3.971 -2.579 4.876 296 1HB TRP 38 1HB TRP 38 -4.924 -1.503 7.467 297 2HB TRP 38 2HB TRP 38 -6.111 -1.579 6.179 298 HD1 TRP 38 HD TRP 38 -5.384 -3.609 8.947 299 HE1 TRP 38 1HE TRP 38 -5.726 -6.207 8.633 300 HE3 TRP 38 3HE TRP 38 -5.367 -3.529 3.863 301 HZ2 TRP 38 2HZ TRP 38 -5.946 -7.898 6.345 302 HZ3 TRP 38 3HZ TRP 38 -5.652 -5.696 2.666 303 HH2 TRP 38 HH TRP 38 -5.935 -7.831 3.825 304 H GLY 39 H GLY 39 -5.039 -1.679 3.098 305 1HA GLY 39 1HA GLY 39 -4.807 1.253 2.852 306 2HA GLY 39 2HA GLY 39 -4.792 0.102 1.532 307 H SER 40 H SER 40 -6.656 -0.027 0.371 308 HA SER 40 HA SER 40 -9.126 0.380 1.858 309 1HB SER 40 1HB SER 40 -10.050 1.629 -0.081 310 2HB SER 40 2HB SER 40 -8.664 2.444 0.616 311 HG SER 40 HG SER 40 -7.928 0.643 -1.380 312 H SER 41 H SER 41 -10.703 -1.170 1.444 313 HA SER 41 HA SER 41 -9.924 -3.239 -0.395 314 1HB SER 41 1HB SER 41 -12.035 -4.362 0.617 315 2HB SER 41 2HB SER 41 -10.649 -4.132 1.664 316 HG SER 41 HG SER 41 -12.832 -2.239 1.501 317 H LYS 42 H LYS 42 -11.631 -4.193 -1.899 318 HA LYS 42 HA LYS 42 -13.506 -2.119 -2.791 319 1HB LYS 42 1HB LYS 42 -12.190 -3.890 -4.810 320 2HB LYS 42 2HB LYS 42 -12.848 -2.276 -4.990 321 1HG LYS 42 1HG LYS 42 -10.828 -1.811 -3.163 322 2HG LYS 42 2HG LYS 42 -10.136 -3.126 -4.091 323 1HD LYS 42 1HD LYS 42 -11.343 -0.639 -5.385 324 2HD LYS 42 2HD LYS 42 -9.645 -0.766 -4.969 325 1HE LYS 42 1HE LYS 42 -10.035 -3.136 -6.350 326 2HE LYS 42 2HE LYS 42 -11.154 -2.074 -7.180 327 1HZ LYS 42 1HZ LYS 42 -8.429 -1.184 -6.633 328 2HZ LYS 42 2HZ LYS 42 -8.741 -2.133 -7.925 329 3HZ LYS 42 3HZ LYS 42 -9.459 -0.673 -7.792 330 H LEU 43 H LEU 43 -15.431 -2.956 -3.882 331 HA LEU 43 HA LEU 43 -15.934 -5.758 -3.149 332 1HB LEU 43 1HB LEU 43 -17.437 -3.281 -2.598 333 2HB LEU 43 2HB LEU 43 -18.403 -4.619 -3.186 334 HG LEU 43 HG LEU 43 -18.351 -4.507 -0.736 335 1HD1 LEU 43 1HD1 LEU 43 -17.080 -6.927 -2.026 336 2HD1 LEU 43 2HD1 LEU 43 -17.598 -6.891 -0.324 337 3HD1 LEU 43 3HD1 LEU 43 -18.792 -6.655 -1.623 338 1HD2 LEU 43 2HD2 LEU 43 -16.034 -3.545 -0.594 339 2HD2 LEU 43 3HD2 LEU 43 -16.385 -4.852 0.562 340 3HD2 LEU 43 1HD2 LEU 43 -15.406 -5.183 -0.887 341 H VAL 44 H VAL 44 -17.457 -6.912 -4.568 342 HA VAL 44 HA VAL 44 -18.016 -5.665 -7.110 343 HB VAL 44 HB VAL 44 -15.926 -7.764 -6.705 344 1HG1 VAL 44 1HG1 VAL 44 -18.043 -7.837 -8.758 345 2HG1 VAL 44 2HG1 VAL 44 -16.386 -7.926 -9.402 346 3HG1 VAL 44 3HG1 VAL 44 -16.938 -9.115 -8.198 347 1HG2 VAL 44 3HG2 VAL 44 -16.234 -5.294 -8.428 348 2HG2 VAL 44 1HG2 VAL 44 -15.068 -5.593 -7.117 349 3HG2 VAL 44 2HG2 VAL 44 -14.919 -6.471 -8.658 350 HA PRO 45 HA PRO 45 -21.364 -8.320 -6.169 351 1HB PRO 45 1HB PRO 45 -23.129 -7.284 -7.981 352 2HB PRO 45 2HB PRO 45 -22.905 -6.621 -6.374 353 1HG PRO 45 1HG PRO 45 -21.955 -5.562 -8.965 354 2HG PRO 45 2HG PRO 45 -22.117 -4.730 -7.432 355 1HD PRO 45 1HD PRO 45 -19.685 -5.679 -8.622 356 2HD PRO 45 2HD PRO 45 -19.863 -4.950 -7.038 357 H VAL 46 H VAL 46 -22.555 -10.103 -7.053 358 HA VAL 46 HA VAL 46 -21.559 -10.823 -9.711 359 HB VAL 46 HB VAL 46 -21.626 -12.643 -7.295 360 1HG1 VAL 46 2HG1 VAL 46 -20.877 -13.100 -10.195 361 2HG1 VAL 46 3HG1 VAL 46 -20.358 -14.181 -8.880 362 3HG1 VAL 46 1HG1 VAL 46 -22.091 -13.958 -9.217 363 1HG2 VAL 46 2HG2 VAL 46 -19.613 -10.793 -8.217 364 2HG2 VAL 46 3HG2 VAL 46 -19.599 -11.861 -6.793 365 3HG2 VAL 46 1HG2 VAL 46 -19.015 -12.463 -8.364 366 H GLY 47 H GLY 47 -22.901 -12.770 -10.577 367 1HA GLY 47 1HA GLY 47 -25.590 -12.016 -10.669 368 2HA GLY 47 2HA GLY 47 -24.912 -13.532 -11.229 369 H TYR 48 H TYR 48 -27.449 -13.594 -10.154 370 HA TYR 48 HA TYR 48 -28.661 -14.761 -8.707 371 1HB TYR 48 1HB TYR 48 -26.147 -15.979 -8.747 372 2HB TYR 48 2HB TYR 48 -26.264 -15.554 -7.051 373 HD1 TYR 48 1HD TYR 48 -28.663 -16.194 -5.961 374 HD2 TYR 48 2HD TYR 48 -26.888 -18.086 -9.363 375 HE1 TYR 48 1HE TYR 48 -30.061 -18.276 -5.542 376 HE2 TYR 48 2HE TYR 48 -28.292 -20.162 -8.933 377 HH TYR 48 HH TYR 48 -29.455 -21.065 -6.453 378 H GLY 49 H GLY 49 -25.792 -13.681 -6.741 379 1HA GLY 49 1HA GLY 49 -26.771 -11.483 -5.531 380 2HA GLY 49 2HA GLY 49 -27.553 -12.769 -4.634 381 H ILE 50 H ILE 50 -24.265 -12.728 -6.154 382 HA ILE 50 HA ILE 50 -23.181 -13.141 -3.455 383 HB ILE 50 HB ILE 50 -22.545 -14.380 -6.101 384 1HG1 ILE 50 1HG1 ILE 50 -22.461 -15.720 -3.414 385 2HG1 ILE 50 2HG1 ILE 50 -24.011 -15.336 -4.134 386 1HG2 ILE 50 3HG2 ILE 50 -20.433 -13.366 -5.357 387 2HG2 ILE 50 1HG2 ILE 50 -20.589 -14.198 -3.792 388 3HG2 ILE 50 2HG2 ILE 50 -20.383 -15.143 -5.286 389 1HD1 ILE 50 2HD1 ILE 50 -22.745 -16.439 -6.302 390 2HD1 ILE 50 3HD1 ILE 50 -21.975 -17.341 -4.975 391 3HD1 ILE 50 1HD1 ILE 50 -23.745 -17.369 -5.161 392 H LYS 51 H LYS 51 -20.854 -12.358 -3.229 393 HA LYS 51 HA LYS 51 -20.296 -10.100 -4.987 394 1HB LYS 51 1HB LYS 51 -20.823 -9.943 -2.026 395 2HB LYS 51 2HB LYS 51 -19.726 -8.812 -2.792 396 1HG LYS 51 1HG LYS 51 -21.410 -7.791 -4.041 397 2HG LYS 51 2HG LYS 51 -22.370 -9.253 -4.152 398 1HD LYS 51 1HD LYS 51 -23.651 -8.008 -2.644 399 2HD LYS 51 2HD LYS 51 -22.671 -8.948 -1.537 400 1HE LYS 51 1HE LYS 51 -21.027 -6.760 -1.991 401 2HE LYS 51 2HE LYS 51 -22.615 -6.024 -2.096 402 1HZ LYS 51 3HZ LYS 51 -22.525 -7.802 0.067 403 2HZ LYS 51 1HZ LYS 51 -21.281 -6.751 0.180 404 3HZ LYS 51 2HZ LYS 51 -22.812 -6.195 0.076 405 H LYS 52 H LYS 52 -18.017 -9.330 -4.743 406 HA LYS 52 HA LYS 52 -16.334 -11.638 -4.183 407 1HB LYS 52 1HB LYS 52 -16.392 -9.659 -6.207 408 2HB LYS 52 2HB LYS 52 -14.934 -9.367 -5.282 409 1HG LYS 52 1HG LYS 52 -14.365 -11.829 -5.489 410 2HG LYS 52 2HG LYS 52 -15.770 -12.033 -6.515 411 1HD LYS 52 1HD LYS 52 -14.219 -9.783 -7.493 412 2HD LYS 52 2HD LYS 52 -13.149 -11.153 -7.275 413 1HE LYS 52 1HE LYS 52 -14.778 -12.579 -8.595 414 2HE LYS 52 2HE LYS 52 -15.749 -11.150 -8.882 415 1HZ LYS 52 1HZ LYS 52 -13.846 -10.145 -9.954 416 2HZ LYS 52 2HZ LYS 52 -12.943 -11.479 -9.690 417 3HZ LYS 52 3HZ LYS 52 -14.237 -11.554 -10.683 418 H LEU 53 H LEU 53 -14.473 -11.513 -2.809 419 HA LEU 53 HA LEU 53 -14.730 -9.364 -0.826 420 1HB LEU 53 1HB LEU 53 -14.596 -12.212 -0.605 421 2HB LEU 53 2HB LEU 53 -13.165 -11.529 0.141 422 HG LEU 53 HG LEU 53 -15.295 -11.940 1.566 423 1HD1 LEU 53 2HD1 LEU 53 -13.348 -9.708 1.622 424 2HD1 LEU 53 3HD1 LEU 53 -14.768 -9.542 2.683 425 3HD1 LEU 53 1HD1 LEU 53 -13.705 -10.962 2.833 426 1HD2 LEU 53 3HD2 LEU 53 -16.533 -10.402 -0.280 427 2HD2 LEU 53 1HD2 LEU 53 -17.093 -10.591 1.400 428 3HD2 LEU 53 2HD2 LEU 53 -16.126 -9.170 0.938 429 H GLN 54 H GLN 54 -13.505 -8.081 -2.546 430 HA GLN 54 HA GLN 54 -10.726 -8.852 -2.683 431 1HB GLN 54 1HB GLN 54 -11.605 -8.165 -4.794 432 2HB GLN 54 2HB GLN 54 -12.422 -6.775 -4.105 433 1HG GLN 54 1HG GLN 54 -10.399 -5.551 -3.839 434 2HG GLN 54 2HG GLN 54 -9.402 -6.990 -3.914 435 1HE2 GLN 54 2HE2 GLN 54 -9.352 -7.291 -7.438 436 2HE2 GLN 54 1HE2 GLN 54 -9.231 -8.134 -5.930 437 H ILE 55 H ILE 55 -9.019 -7.656 -1.758 438 HA ILE 55 HA ILE 55 -9.694 -5.203 -0.368 439 HB ILE 55 HB ILE 55 -9.557 -5.938 1.713 440 1HG1 ILE 55 1HG1 ILE 55 -7.082 -6.242 1.393 441 2HG1 ILE 55 2HG1 ILE 55 -7.807 -7.250 2.630 442 1HG2 ILE 55 1HG2 ILE 55 -11.117 -7.563 0.772 443 2HG2 ILE 55 2HG2 ILE 55 -9.770 -8.671 0.419 444 3HG2 ILE 55 3HG2 ILE 55 -10.177 -8.275 2.105 445 1HD1 ILE 55 3HD1 ILE 55 -7.227 -8.152 -0.230 446 2HD1 ILE 55 1HD1 ILE 55 -6.229 -8.537 1.193 447 3HD1 ILE 55 2HD1 ILE 55 -7.888 -9.170 1.073 448 H GLN 56 H GLN 56 -7.686 -4.061 0.385 449 HA GLN 56 HA GLN 56 -5.395 -4.961 -1.176 450 1HB GLN 56 1HB GLN 56 -6.505 -3.070 -2.329 451 2HB GLN 56 2HB GLN 56 -6.400 -2.098 -0.874 452 1HG GLN 56 1HG GLN 56 -4.483 -1.351 -1.949 453 2HG GLN 56 2HG GLN 56 -3.793 -2.688 -1.050 454 1HE2 GLN 56 2HE2 GLN 56 -2.951 -4.657 -3.789 455 2HE2 GLN 56 1HE2 GLN 56 -3.035 -4.459 -2.070 456 H CYS 57 H CYS 57 -3.335 -4.665 -0.204 457 HA CYS 57 HA CYS 57 -3.389 -3.469 2.461 458 1HB CYS 57 1HB CYS 57 -1.661 -5.414 2.986 459 2HB CYS 57 2HB CYS 57 -3.385 -5.628 3.213 460 HG CYS 57 HG CYS 57 -3.357 -7.649 1.961 461 H VAL 58 H VAL 58 -1.106 -2.867 3.174 462 HA VAL 58 HA VAL 58 0.627 -2.444 0.839 463 HB VAL 58 HB VAL 58 0.076 -0.519 3.106 464 1HG1 VAL 58 3HG1 VAL 58 2.105 -0.614 0.938 465 2HG1 VAL 58 1HG1 VAL 58 1.315 0.958 1.208 466 3HG1 VAL 58 2HG1 VAL 58 2.171 0.151 2.543 467 1HG2 VAL 58 3HG2 VAL 58 -0.837 -0.519 0.213 468 2HG2 VAL 58 1HG2 VAL 58 -1.851 -0.581 1.674 469 3HG2 VAL 58 2HG2 VAL 58 -0.934 0.896 1.290 470 H VAL 59 H VAL 59 2.344 -3.781 1.119 471 HA VAL 59 HA VAL 59 3.268 -4.218 3.859 472 HB VAL 59 HB VAL 59 4.144 -6.227 3.141 473 1HG1 VAL 59 2HG1 VAL 59 1.656 -5.668 1.505 474 2HG1 VAL 59 3HG1 VAL 59 2.390 -7.284 1.638 475 3HG1 VAL 59 1HG1 VAL 59 1.778 -6.463 3.093 476 1HG2 VAL 59 3HG2 VAL 59 4.186 -5.024 0.367 477 2HG2 VAL 59 1HG2 VAL 59 5.545 -5.629 1.343 478 3HG2 VAL 59 2HG2 VAL 59 4.376 -6.772 0.642 479 H GLU 60 H GLU 60 5.798 -4.517 3.957 480 HA GLU 60 HA GLU 60 6.834 -2.033 2.984 481 1HB GLU 60 1HB GLU 60 7.489 -3.976 5.101 482 2HB GLU 60 2HB GLU 60 8.919 -3.388 4.276 483 1HG GLU 60 1HG GLU 60 6.747 -1.513 5.309 484 2HG GLU 60 2HG GLU 60 8.106 -2.008 6.300 485 H ASP 61 H ASP 61 6.635 -2.761 0.650 486 HA ASP 61 HA ASP 61 7.641 -3.260 -1.209 487 1HB ASP 61 1HB ASP 61 9.792 -2.759 0.446 488 2HB ASP 61 2HB ASP 61 10.140 -4.407 -0.041 489 H ASP 62 H ASP 62 9.133 -5.623 1.144 490 HA ASP 62 HA ASP 62 7.492 -7.710 0.082 491 1HB ASP 62 1HB ASP 62 9.582 -7.512 -1.417 492 2HB ASP 62 2HB ASP 62 10.528 -7.991 -0.021 493 H LYS 63 H LYS 63 8.042 -6.230 2.657 494 HA LYS 63 HA LYS 63 9.533 -8.086 4.278 495 1HB LYS 63 1HB LYS 63 8.967 -5.363 4.399 496 2HB LYS 63 2HB LYS 63 7.986 -6.040 5.682 497 1HG LYS 63 1HG LYS 63 9.965 -7.197 6.629 498 2HG LYS 63 2HG LYS 63 10.961 -6.624 5.307 499 1HD LYS 63 1HD LYS 63 10.567 -4.267 5.998 500 2HD LYS 63 2HD LYS 63 9.510 -4.806 7.288 501 1HE LYS 63 1HE LYS 63 11.388 -6.011 8.370 502 2HE LYS 63 2HE LYS 63 12.454 -5.589 7.045 503 1HZ LYS 63 1HZ LYS 63 11.083 -3.424 8.391 504 2HZ LYS 63 2HZ LYS 63 12.308 -4.149 9.191 505 3HZ LYS 63 3HZ LYS 63 12.578 -3.458 7.736 506 H VAL 64 H VAL 64 6.111 -6.861 4.163 507 HA VAL 64 HA VAL 64 5.334 -9.225 5.686 508 HB VAL 64 HB VAL 64 4.112 -6.549 5.093 509 1HG1 VAL 64 3HG1 VAL 64 2.670 -9.096 5.492 510 2HG1 VAL 64 1HG1 VAL 64 2.169 -7.776 6.575 511 3HG1 VAL 64 2HG1 VAL 64 2.110 -7.550 4.811 512 1HG2 VAL 64 2HG2 VAL 64 4.700 -8.131 7.614 513 2HG2 VAL 64 3HG2 VAL 64 5.485 -6.634 7.056 514 3HG2 VAL 64 1HG2 VAL 64 3.788 -6.603 7.591 515 H GLY 65 H GLY 65 4.701 -11.006 4.597 516 1HA GLY 65 1HA GLY 65 3.836 -10.690 1.809 517 2HA GLY 65 2HA GLY 65 4.394 -12.159 2.583 518 H THR 66 H THR 66 2.056 -12.266 1.102 519 HA THR 66 HA THR 66 -0.227 -11.819 2.779 520 HB THR 66 HB THR 66 0.372 -12.940 0.028 521 HG1 THR 66 1HG THR 66 -1.144 -11.156 -0.372 522 1HG2 THR 66 3HG2 THR 66 -2.172 -13.302 1.665 523 2HG2 THR 66 1HG2 THR 66 -2.247 -13.100 -0.102 524 3HG2 THR 66 2HG2 THR 66 -1.368 -14.480 0.599 525 H ASP 67 H ASP 67 2.254 -13.988 3.058 526 HA ASP 67 HA ASP 67 1.072 -16.425 3.255 527 1HB ASP 67 1HB ASP 67 2.858 -16.770 5.144 528 2HB ASP 67 2HB ASP 67 3.407 -16.418 3.518 529 H MET 68 H MET 68 1.703 -14.016 5.929 530 HA MET 68 HA MET 68 0.305 -15.401 7.862 531 1HB MET 68 1HB MET 68 1.822 -13.050 7.668 532 2HB MET 68 2HB MET 68 0.231 -12.425 8.055 533 1HG MET 68 1HG MET 68 1.664 -14.609 9.645 534 2HG MET 68 2HG MET 68 1.616 -12.918 10.101 535 1HE MET 68 2HE MET 68 -0.535 -11.578 10.419 536 2HE MET 68 3HE MET 68 -1.511 -12.222 9.076 537 3HE MET 68 1HE MET 68 -2.147 -12.264 10.738 538 H LEU 69 H LEU 69 -0.737 -12.512 5.907 539 HA LEU 69 HA LEU 69 -3.290 -12.322 6.889 540 1HB LEU 69 1HB LEU 69 -2.293 -11.754 4.094 541 2HB LEU 69 2HB LEU 69 -3.808 -11.184 4.765 542 HG LEU 69 HG LEU 69 -1.776 -10.387 6.578 543 1HD1 LEU 69 3HD1 LEU 69 -0.158 -10.790 4.764 544 2HD1 LEU 69 1HD1 LEU 69 -1.066 -9.667 3.722 545 3HD1 LEU 69 2HD1 LEU 69 -0.276 -9.068 5.201 546 1HD2 LEU 69 2HD2 LEU 69 -3.896 -9.235 6.178 547 2HD2 LEU 69 3HD2 LEU 69 -2.511 -8.135 5.982 548 3HD2 LEU 69 1HD2 LEU 69 -3.347 -8.776 4.548 549 H GLU 70 H GLU 70 -2.094 -14.272 4.076 550 HA GLU 70 HA GLU 70 -4.534 -15.291 3.365 551 1HB GLU 70 1HB GLU 70 -2.554 -15.525 1.955 552 2HB GLU 70 2HB GLU 70 -1.748 -16.508 3.162 553 1HG GLU 70 1HG GLU 70 -3.828 -18.107 2.922 554 2HG GLU 70 2HG GLU 70 -4.135 -17.238 1.432 555 H GLU 71 H GLU 71 -2.049 -16.654 5.634 556 HA GLU 71 HA GLU 71 -3.439 -18.946 6.241 557 1HB GLU 71 1HB GLU 71 -1.157 -17.437 7.322 558 2HB GLU 71 2HB GLU 71 -2.046 -18.267 8.585 559 1HG GLU 71 1HG GLU 71 -1.911 -20.175 6.522 560 2HG GLU 71 2HG GLU 71 -0.347 -19.386 6.449 561 H GLN 72 H GLN 72 -4.195 -15.662 6.960 562 HA GLN 72 HA GLN 72 -5.769 -16.444 9.267 563 1HB GLN 72 1HB GLN 72 -4.231 -14.410 9.332 564 2HB GLN 72 2HB GLN 72 -5.293 -13.640 8.171 565 1HG GLN 72 1HG GLN 72 -6.558 -12.934 9.917 566 2HG GLN 72 2HG GLN 72 -7.054 -14.599 10.151 567 1HE2 GLN 72 2HE2 GLN 72 -3.878 -13.085 12.365 568 2HE2 GLN 72 1HE2 GLN 72 -4.182 -12.568 10.740 569 H ILE 73 H ILE 73 -6.015 -14.858 6.026 570 HA ILE 73 HA ILE 73 -8.827 -14.558 6.172 571 HB ILE 73 HB ILE 73 -7.031 -14.598 3.745 572 1HG1 ILE 73 1HG1 ILE 73 -7.840 -12.051 5.077 573 2HG1 ILE 73 2HG1 ILE 73 -6.563 -12.986 5.829 574 1HG2 ILE 73 3HG2 ILE 73 -9.829 -13.590 4.255 575 2HG2 ILE 73 1HG2 ILE 73 -8.826 -12.979 2.917 576 3HG2 ILE 73 2HG2 ILE 73 -9.251 -14.706 2.994 577 1HD1 ILE 73 1HD1 ILE 73 -6.553 -12.275 2.864 578 2HD1 ILE 73 2HD1 ILE 73 -5.783 -11.266 4.112 579 3HD1 ILE 73 3HD1 ILE 73 -5.205 -12.926 3.827 580 H THR 74 H THR 74 -6.648 -16.909 4.465 581 HA THR 74 HA THR 74 -8.882 -18.510 3.653 582 HB THR 74 HB THR 74 -7.179 -19.801 2.550 583 HG1 THR 74 1HG THR 74 -5.517 -18.503 4.593 584 1HG2 THR 74 1HG2 THR 74 -7.203 -17.178 2.012 585 2HG2 THR 74 2HG2 THR 74 -5.621 -17.216 2.824 586 3HG2 THR 74 3HG2 THR 74 -5.899 -18.206 1.373 587 H ALA 75 H ALA 75 -7.587 -17.959 6.660 588 HA ALA 75 HA ALA 75 -7.356 -20.621 7.607 589 1HB ALA 75 1HB ALA 75 -6.927 -17.958 8.539 590 2HB ALA 75 2HB ALA 75 -8.039 -18.747 9.683 591 3HB ALA 75 3HB ALA 75 -6.460 -19.486 9.323 592 H PHE 76 H PHE 76 -10.012 -18.715 6.585 593 HA PHE 76 HA PHE 76 -11.833 -20.206 8.330 594 1HB PHE 76 1HB PHE 76 -11.652 -17.498 7.132 595 2HB PHE 76 2HB PHE 76 -13.195 -18.243 6.762 596 HD1 PHE 76 1HD PHE 76 -11.087 -18.435 9.836 597 HD2 PHE 76 2HD PHE 76 -14.772 -17.224 8.113 598 HE1 PHE 76 1HE PHE 76 -11.942 -17.796 12.109 599 HE2 PHE 76 2HE PHE 76 -15.625 -16.586 10.386 600 HZ PHE 76 HZ PHE 76 -14.199 -16.879 12.356 601 H GLU 77 H GLU 77 -12.057 -22.186 7.250 602 HA GLU 77 HA GLU 77 -12.557 -22.103 4.422 603 1HB GLU 77 1HB GLU 77 -12.873 -24.729 5.089 604 2HB GLU 77 2HB GLU 77 -11.319 -23.997 4.737 605 1HG GLU 77 1HG GLU 77 -10.841 -23.657 7.093 606 2HG GLU 77 2HG GLU 77 -12.488 -24.044 7.552 607 H ASP 78 H ASP 78 -14.371 -21.625 7.206 608 HA ASP 78 HA ASP 78 -16.678 -23.051 6.224 609 1HB ASP 78 1HB ASP 78 -17.692 -21.904 8.368 610 2HB ASP 78 2HB ASP 78 -16.584 -23.249 8.556 611 H TYR 79 H TYR 79 -15.262 -20.474 5.069 612 HA TYR 79 HA TYR 79 -17.728 -19.063 4.541 613 1HB TYR 79 1HB TYR 79 -15.269 -18.020 6.047 614 2HB TYR 79 2HB TYR 79 -16.256 -16.901 5.127 615 HD1 TYR 79 1HD TYR 79 -16.303 -19.283 7.978 616 HD2 TYR 79 2HD TYR 79 -18.333 -16.091 5.979 617 HE1 TYR 79 1HE TYR 79 -17.885 -19.041 9.954 618 HE2 TYR 79 2HE TYR 79 -19.908 -15.860 7.962 619 HH TYR 79 HH TYR 79 -20.681 -16.963 9.780 620 H VAL 80 H VAL 80 -14.132 -19.227 4.177 621 HA VAL 80 HA VAL 80 -14.310 -17.933 1.602 622 HB VAL 80 HB VAL 80 -12.027 -19.088 3.212 623 1HG1 VAL 80 1HG1 VAL 80 -12.131 -17.970 0.437 624 2HG1 VAL 80 2HG1 VAL 80 -10.736 -17.556 1.463 625 3HG1 VAL 80 3HG1 VAL 80 -11.110 -19.261 1.115 626 1HG2 VAL 80 2HG2 VAL 80 -13.403 -16.517 3.176 627 2HG2 VAL 80 3HG2 VAL 80 -12.217 -17.163 4.336 628 3HG2 VAL 80 1HG2 VAL 80 -11.659 -16.346 2.857 629 H GLN 81 H GLN 81 -14.416 -18.945 -0.354 630 HA GLN 81 HA GLN 81 -14.675 -21.797 -0.273 631 1HB GLN 81 1HB GLN 81 -16.242 -20.320 -1.573 632 2HB GLN 81 2HB GLN 81 -14.917 -19.874 -2.629 633 1HG GLN 81 1HG GLN 81 -14.619 -22.471 -2.972 634 2HG GLN 81 2HG GLN 81 -16.238 -22.590 -2.314 635 1HE2 GLN 81 2HE2 GLN 81 -15.670 -21.732 -6.169 636 2HE2 GLN 81 1HE2 GLN 81 -14.510 -22.402 -5.071 637 H SER 82 H SER 82 -12.413 -19.300 -1.474 638 HA SER 82 HA SER 82 -10.244 -20.932 -1.405 639 1HB SER 82 1HB SER 82 -11.719 -21.050 -4.024 640 2HB SER 82 2HB SER 82 -9.969 -20.986 -4.085 641 HG SER 82 HG SER 82 -11.598 -23.105 -3.458 642 H MET 83 H MET 83 -8.730 -19.356 -1.038 643 HA MET 83 HA MET 83 -9.188 -16.763 -2.184 644 1HB MET 83 1HB MET 83 -8.523 -16.813 0.152 645 2HB MET 83 2HB MET 83 -7.225 -17.947 -0.162 646 1HG MET 83 1HG MET 83 -7.166 -15.252 -1.541 647 2HG MET 83 2HG MET 83 -6.711 -15.344 0.148 648 1HE MET 83 3HE MET 83 -4.646 -14.880 0.383 649 2HE MET 83 1HE MET 83 -3.198 -15.751 -0.179 650 3HE MET 83 2HE MET 83 -3.944 -14.506 -1.209 651 H ASP 84 H ASP 84 -7.534 -15.566 -3.396 652 HA ASP 84 HA ASP 84 -5.406 -17.190 -4.464 653 1HB ASP 84 1HB ASP 84 -7.744 -16.105 -6.023 654 2HB ASP 84 2HB ASP 84 -6.169 -16.015 -6.785 655 H VAL 85 H VAL 85 -4.401 -15.437 -6.390 656 HA VAL 85 HA VAL 85 -4.020 -12.976 -4.838 657 HB VAL 85 HB VAL 85 -2.240 -14.442 -6.791 658 1HG1 VAL 85 2HG1 VAL 85 -2.228 -11.838 -6.844 659 2HG1 VAL 85 3HG1 VAL 85 -1.399 -11.979 -5.275 660 3HG1 VAL 85 1HG1 VAL 85 -0.682 -12.713 -6.728 661 1HG2 VAL 85 1HG2 VAL 85 -2.033 -13.912 -3.809 662 2HG2 VAL 85 2HG2 VAL 85 -2.252 -15.483 -4.614 663 3HG2 VAL 85 3HG2 VAL 85 -0.724 -14.591 -4.806 664 H ALA 86 H ALA 86 -4.168 -10.949 -5.881 665 HA ALA 86 HA ALA 86 -5.597 -11.090 -8.436 666 1HB ALA 86 2HB ALA 86 -6.010 -9.675 -5.983 667 2HB ALA 86 3HB ALA 86 -5.628 -8.477 -7.243 668 3HB ALA 86 1HB ALA 86 -6.982 -9.610 -7.473 669 H ALA 87 H ALA 87 -2.681 -9.944 -6.779 670 HA ALA 87 HA ALA 87 -1.167 -9.691 -9.023 671 1HB ALA 87 3HB ALA 87 -2.773 -7.206 -8.422 672 2HB ALA 87 1HB ALA 87 -1.139 -7.069 -9.112 673 3HB ALA 87 2HB ALA 87 -2.405 -7.959 -9.992 674 H PHE 88 H PHE 88 0.827 -8.130 -8.547 675 HA PHE 88 HA PHE 88 1.197 -7.643 -5.733 676 1HB PHE 88 1HB PHE 88 1.947 -10.120 -7.004 677 2HB PHE 88 2HB PHE 88 3.438 -9.220 -6.819 678 HD1 PHE 88 2HD PHE 88 4.174 -8.516 -4.540 679 HD2 PHE 88 1HD PHE 88 0.860 -11.100 -5.126 680 HE1 PHE 88 2HE PHE 88 4.310 -9.234 -2.139 681 HE2 PHE 88 1HE PHE 88 0.996 -11.817 -2.724 682 HZ PHE 88 HZ PHE 88 2.720 -10.876 -1.260 683 H ASN 89 H ASN 89 1.558 -5.456 -6.300 684 HA ASN 89 HA ASN 89 4.162 -5.041 -7.455 685 1HB ASN 89 1HB ASN 89 3.218 -3.155 -8.909 686 2HB ASN 89 2HB ASN 89 2.784 -4.768 -9.439 687 1HD2 ASN 89 2HD2 ASN 89 -0.653 -4.505 -8.890 688 2HD2 ASN 89 1HD2 ASN 89 0.706 -5.514 -9.258 689 H LYS 90 H LYS 90 4.600 -2.457 -7.288 690 HA LYS 90 HA LYS 90 3.907 -1.755 -4.582 691 1HB LYS 90 1HB LYS 90 6.171 -1.415 -5.106 692 2HB LYS 90 2HB LYS 90 5.812 -0.684 -6.657 693 1HG LYS 90 1HG LYS 90 4.880 1.313 -5.569 694 2HG LYS 90 2HG LYS 90 5.018 0.569 -3.988 695 1HD LYS 90 1HD LYS 90 7.506 0.471 -4.251 696 2HD LYS 90 2HD LYS 90 7.368 1.214 -5.833 697 1HE LYS 90 1HE LYS 90 5.940 2.754 -3.758 698 2HE LYS 90 2HE LYS 90 7.642 2.568 -3.385 699 1HZ LYS 90 1HZ LYS 90 8.060 3.305 -5.711 700 2HZ LYS 90 2HZ LYS 90 6.480 3.700 -5.826 701 3HZ LYS 90 3HZ LYS 90 7.431 4.450 -4.731 702 H ILE 91 H ILE 91 3.277 0.539 -4.128 703 HA ILE 91 HA ILE 91 1.044 1.277 -5.946 704 HB ILE 91 HB ILE 91 0.927 2.681 -3.467 705 1HG1 ILE 91 1HG1 ILE 91 1.866 -0.176 -3.290 706 2HG1 ILE 91 2HG1 ILE 91 2.273 1.215 -2.256 707 1HG2 ILE 91 1HG2 ILE 91 -0.966 1.935 -4.894 708 2HG2 ILE 91 2HG2 ILE 91 -0.597 0.243 -4.482 709 3HG2 ILE 91 3HG2 ILE 91 -1.147 1.367 -3.217 710 1HD1 ILE 91 2HD1 ILE 91 -0.100 1.197 -1.410 711 2HD1 ILE 91 3HD1 ILE 91 -0.369 -0.301 -2.334 712 3HD1 ILE 91 1HD1 ILE 91 0.814 -0.278 -1.004 No H/Q in entry = 712
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